smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 26069744 YOSHNKCIMABCHB-UHFFFAOYSA-N 447.538 0.745 30 20 ICED CCN(CCC#N)S(=O)(=O)N[C@H](CN(C)S(=O)(=O)N(CC)CCC#N)C(C)C 410405247 XLOBFLPIPVFZBG-MRXNPFEDSA-N 436.604 0.493 30 20 ICED CCOC(=O)c1ncn(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1N 429716754 KXAHFCITDWXMTB-GOSISDBHSA-N 445.568 0.971 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437027039 QZYSGJYGDIOZJI-OXQOHEQNSA-N 430.505 0.993 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446512546 MYOLSJAUIOPTFJ-ZIAGYGMSSA-N 425.532 0.885 30 20 ICED CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 448483728 NRLXVZXEESYRBE-UHFFFAOYSA-N 444.517 0.882 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(-c2nncn2C)c1 465415436 IDHPBVDZWRXSIA-AWEZNQCLSA-N 431.460 0.820 30 20 ICED C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467196962 SGNIDVJWEDVXSS-RXAIFQJESA-N 426.564 0.090 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 471039137 DPDVTLWVVRBWRG-DZVNEVJTSA-N 434.456 0.190 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)cc1 477503413 UERRTSRLMCYVSM-UHFFFAOYSA-N 429.501 0.693 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)n1 479358306 JERXGHZCQVSPDE-ZDUSSCGKSA-N 426.498 0.132 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 482185333 VSURYHVEUGGGHZ-QGZVFWFLSA-N 433.578 0.711 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 484720801 OOIUIWMPTKSIEL-ASPXRTSYSA-N 426.583 0.931 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 486624670 DXHGYQYMWMFWSF-MRXNPFEDSA-N 433.527 0.900 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCS3(=O)=O)CC2)cc1 490033296 SECLJFLFVNRMSC-UHFFFAOYSA-N 440.547 0.111 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2)c1=O 501772794 WOOTUNFPOZEYKG-UHFFFAOYSA-N 429.473 0.784 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)Cc2ccc3c(c2)OCCO3)c1=O 504931036 VLVQYKVTHYTQDA-UHFFFAOYSA-N 442.472 0.364 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504957050 YOFRLTFBJJYAJR-MRXNPFEDSA-N 436.509 0.675 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508121690 UDFHDOLVAZYQQJ-KRWDZBQOSA-N 445.501 0.736 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 517519416 DPAPRPJJWABOJF-AWEZNQCLSA-N 444.521 0.758 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 518992467 ZXPXJVKLZOXNIA-WOJBJXKFSA-N 428.533 0.788 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 521325643 MQKPSPHGDRYEIJ-UHFFFAOYSA-N 427.548 0.746 30 20 ICED C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)[C@@H]1CCS(=O)(=O)C1 521476985 KRRZIXGPHJXRDR-HZPDHXFCSA-N 444.579 0.629 30 20 ICED COCCCN(CC(=O)NC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 527135968 BIPHJNCBYBPCQW-UHFFFAOYSA-N 440.504 0.985 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 541381598 WUSMDWJMLQUSHU-UHFFFAOYSA-N 428.424 0.895 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(N)=O)C3)n2C[C@H]2CCCCO2)cc1 550050831 VOJWYRUZQYLVQY-QZTJIDSGSA-N 426.477 0.988 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 550534616 YFTWOHDFSWBSHR-UHFFFAOYSA-N 434.500 0.755 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1 551258116 DFJGWFLUUHYOSQ-UHFFFAOYSA-N 429.238 0.853 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 555735157 GWKGGMYTEDQLCJ-UHFFFAOYSA-N 434.880 0.313 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O 561817355 VLHQUDYMMXQYTF-PMACEKPBSA-N 428.533 0.639 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 562208372 QEMZCMIOQRJJOZ-CQSZACIVSA-N 435.444 0.852 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 563484386 ABNGNPHQOUPWNQ-LJQANCHMSA-N 442.497 0.762 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 577892083 BIVFHQCFWAFFOS-SFHVURJKSA-N 425.489 0.151 30 20 ICED CC(=O)N1CCC(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 588050459 PONYWUQFSZRPMA-UHFFFAOYSA-N 425.533 0.967 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 588869791 LLWRCEISOLQZGN-GBESFXJTSA-N 437.500 0.293 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c(OC)c1 591690633 KRQRZIOUZXECOS-OAHLLOKOSA-N 438.502 0.663 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604269781 BOBHUBLZMASMOF-UHFFFAOYSA-N 440.525 0.132 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2cccnc2)c1=O 609038848 XSNIZELQFFDXKZ-UHFFFAOYSA-N 434.525 0.406 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)C(=O)OCC)nnc12 611857796 FSYUNZQHTRTOBV-ZDUSSCGKSA-N 431.474 0.363 30 20 ICED N#CC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 619545646 KZMUFMMEENIVKI-UHFFFAOYSA-N 434.518 0.578 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c1 727401610 QGJHDBGLKPCXLG-UHFFFAOYSA-N 442.541 0.820 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 728533112 VTFWGMYLDYBGCH-UHFFFAOYSA-N 442.541 0.402 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 728719283 RTWRKCAARZIYOC-IBGZPJMESA-N 425.489 0.078 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](O)COc3cccc(F)c3)n2)cc1 749632636 AUATXJLPHRKWRB-QGZVFWFLSA-N 438.419 0.832 30 20 ICED COc1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc(OC)c1OCC(N)=O 750416303 GWXKCPSCQOVOOM-UHFFFAOYSA-N 433.442 0.699 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1C#N 752401953 ZZDYFEOXQIGCBS-UHFFFAOYSA-N 444.492 0.734 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)cc1 752742960 GKLUATBBTMOSRW-UHFFFAOYSA-N 431.470 0.984 30 20 ICED Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 763423235 IITURYZVKCGYDE-MSOLQXFVSA-N 434.460 0.926 30 20 ICED N#C[C@@H](C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 770505092 UCFBJCPDEBJWBP-LBPRGKRZSA-N 430.236 0.937 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3F)c2=O)cn1 772281997 FLTNVNZHSBJPRE-UHFFFAOYSA-N 439.472 0.601 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 774779090 ZSXLXMROAHQOKF-OAHLLOKOSA-N 441.554 0.591 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 775009626 SWECAGJQLARQNQ-UHFFFAOYSA-N 427.505 0.940 30 20 ICED C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1CCCO1 776226621 UGDAMXKJHOLMJZ-QZTJIDSGSA-N 434.518 0.875 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780062644 PZSFMQSXTIVEOL-IRXDYDNUSA-N 445.520 0.601 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C)c1cc[nH]n1 794274099 DDJCOSPSBVNGMF-UHFFFAOYSA-N 428.405 0.697 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNc2ccc(S(N)(=O)=O)cn2)C1 794492567 RZIUBHHPFGVSBJ-ZDUSSCGKSA-N 440.526 0.890 30 20 ICED COc1cc(C#N)ccc1OCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 805498076 FJHDDNVQOCLZQR-ZDUSSCGKSA-N 447.469 0.955 30 20 ICED C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812250818 FPEGTHKNZMMKIT-ULQDDVLXSA-N 426.539 0.808 30 20 ICED C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C 813774807 MVENSJPGINHUPI-YOEHRIQHSA-N 437.518 0.534 30 20 ICED N#Cc1cccnc1NCCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 916640178 LFUJQYQRPHHBNN-UHFFFAOYSA-N 429.506 0.544 30 20 ICED Cc1nccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 918452807 JHJFNAWKXAAIGU-ULJHMMPZSA-N 430.490 0.853 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 919315400 CJJZVHQTCOYNOA-QGZVFWFLSA-N 444.465 0.972 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2COCCO2)cc1 1302995079 UROVVGWAWQQRQK-GOSISDBHSA-N 426.477 0.846 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1303411317 LXJCASLEPPDQFW-MRXNPFEDSA-N 446.533 0.791 30 20 ICED CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1313927383 KIGSDBYLVXGEAZ-MSOLQXFVSA-N 430.557 0.155 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CCO1 1316535662 XDZYIMMVADRCNK-NSHDSACASA-N 438.370 0.333 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1552890670 IUXAROKGIZYRFJ-INIZCTEOSA-N 444.521 0.137 30 20 ICED COc1cccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)c1 1563644465 PGROBABZRHVEFU-GOSISDBHSA-N 426.477 0.965 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCC(=O)N(C)C)CC2)c1C#N 1612470634 UOHUKDVNRAVVJF-INIZCTEOSA-N 441.540 0.501 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1671495267 PEHVXXLBXQGNRW-CABCVRRESA-N 444.558 0.315 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cn1 1692792281 DAPUGTBWOQVPQI-SUMWQHHRSA-N 448.528 0.647 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1698298044 IJFSJQXIKVBUQQ-AWEZNQCLSA-N 438.460 0.821 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1741905639 UQPWWBDQSAVBDZ-LSDHHAIUSA-N 427.575 0.737 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC(=O)N1C 1752388537 QPVWBUOABOUUOG-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1760810919 TWPTZYXLQMMDDF-RRFJBIMHSA-N 426.543 0.475 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1769846060 WNAIEXLCQJHYLJ-OAHLLOKOSA-N 427.527 0.088 30 20 ICED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)nc2ccccc21 1777889711 FXYMNEBIKIFJIO-HSZRJFAPSA-N 446.467 0.891 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118094 VBLYWYACJGJWRR-SFHVURJKSA-N 449.520 0.699 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)(C1)C2 1779067708 YMARYGPUXWOOSC-UBVWURDFSA-N 444.528 0.858 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1779334949 BIWAZWBDHCGWMD-DNVFCKCGSA-N 436.597 0.321 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365500 FDKVZALKSNSBTO-YEOABVOBSA-N 433.553 0.663 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1781269487 WFTKTWZXKQMWHS-NRFANRHFSA-N 427.461 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782557433 FJMQHOTVFOCBAO-FPSSLUBQSA-N 430.509 0.041 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757223 XPXUYJCLGMUGCC-XUYQLWACSA-N 436.509 0.358 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1784018365 OGUHDOQJKSARTE-XMSQKQJNSA-N 448.541 0.764 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(=O)oc1 1786280528 LILLWZSKDOHSFC-BPYJHVPBSA-N 433.461 0.762 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786790690 UIGMOTIYRMIGIF-FPSMNIFISA-N 436.553 0.478 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787507077 ILZJYLHRQSRGTF-FHWLQOOXSA-N 439.578 0.585 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788600859 FEMZXTJLJLEGCQ-GPZQRLOISA-N 431.581 0.778 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788631667 TVTQFOGAMFVMSU-UFYCRDLUSA-N 441.528 0.527 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CCC1=O 1793787835 DZHDNRAIZNKAKX-VPTLXERWSA-N 441.463 0.438 30 20 ICED 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[nH]1 1795695835 ZGQHJWRAZXURGZ-UMPJEAMMSA-N 447.492 0.235 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797742208 KCKUISMUHIITKO-KXJCPHRKSA-N 443.504 0.528 30 20 ICED N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)c1ccccn1 1797812105 XVYXTBOKGCJXBN-LHOFUHHFSA-N 431.493 0.200 30 20 ICED 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1833688169 GVLLMBSQZNJGPG-INIZCTEOSA-N 431.537 0.205 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1834165180 KXUIBLKPEBAPLI-OAQYLSRUSA-N 434.493 0.308 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100415 RMRDOPVZJKJKFV-DEOSSOPVSA-N 448.479 0.528 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)C1 1836334124 WTNKMBGZOUOSHP-MBSDFSHPSA-N 446.548 0.727 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164463 IAGMAGIUTUXECC-IERDGZPVSA-N 429.477 0.390 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837429405 WXFQRTWYDKGDOT-GCJKJVERSA-N 449.624 0.773 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869222 HCADIYAWMRHLBZ-KRWDZBQOSA-N 447.580 0.958 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1838267457 SPVNODYRGCNUSF-UHFFFAOYSA-N 425.551 0.290 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440794 CDOZYGOMQSNYTO-JOCHJYFZSA-N 426.473 0.762 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1838952636 CJFMWPYDHQWRLO-HSZRJFAPSA-N 440.500 0.641 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839080587 BNAKIJBSTOPWLK-JKSBSHDWSA-N 432.521 0.394 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1839223159 OLILRDOMDRGFTJ-OPYAIIAOSA-N 435.525 0.777 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)c(O)c1)CCO2 1839265346 OAUINFFNHSRFOC-KSEXMQBYSA-N 443.500 0.629 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c1 1839452372 ZEZKLSFDBSHCSR-QFIPXVFZSA-N 439.472 0.871 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840291944 OIXIAEFFEPIWQJ-FXAWDEMLSA-N 428.551 0.317 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c(C#N)c1 1840571685 HSMZNNGINVJVGW-QHCPKHFHSA-N 442.516 0.127 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CC2(O)CCC2)CCO3)cc1 1840591408 BLGUDGTZCGLBFJ-QHCPKHFHSA-N 427.501 0.862 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)CCc3cccc(C#N)c3)C2)CC1 1841259980 PAMQRWZSRUZGHG-UHFFFAOYSA-N 437.544 0.858 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842254854 JSHSHTXVFGRJQO-UHFFFAOYSA-N 433.534 0.584 30 20 ICED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014447 IBRLNWQTXPBSIG-NSHDSACASA-N 436.559 0.363 30 20 ICED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845981892 VUKLNECYWDACON-HRCADAONSA-N 434.562 0.582 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30938325 ITPCIDUOBJXGEA-UHFFFAOYSA-N 444.517 0.275 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 409542115 CRHPIWBKOUOBTB-IRXDYDNUSA-N 448.615 0.447 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 437043660 GDVSXVIIIFKCBP-SUMWQHHRSA-N 425.507 0.981 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)n2)c(Cl)c1 439405279 UYEIEUXQRQUXFM-UHFFFAOYSA-N 436.881 0.615 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O 440259243 KQSCKQXDPMMPOB-IBGZPJMESA-N 441.532 0.568 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 443734776 SARWSAUAEJKPME-CQSZACIVSA-N 444.556 0.777 30 20 ICED Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 446671010 OFDMNZZVOHPYIG-QGZVFWFLSA-N 447.561 0.566 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)c(F)c2)c1=O 447267803 PVRPBRDFNAJRJS-UHFFFAOYSA-N 443.500 0.995 30 20 ICED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 471049721 CHOXFJCYTACCTE-MRXNPFEDSA-N 439.472 0.860 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471053329 OMBWQSYIZUSWRZ-IEBWSBKVSA-N 442.472 0.733 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)c1C#N 472071974 CMIFKZBGFMPLIO-MRXNPFEDSA-N 425.497 0.361 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 474189009 JVLKDTVRJGERQJ-QFIPXVFZSA-N 439.516 0.818 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480794935 IPWGELOQGFKIKI-CYBMUJFWSA-N 428.536 0.155 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3CCC[C@@H](C)C3)CC2)c1C#N 480909339 BZDIQVUCQBAIIV-MRXNPFEDSA-N 429.569 0.876 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 494028563 RQFWELVEVRPNQI-CYBMUJFWSA-N 448.423 0.978 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 511312328 BQHPSMRNYPUILF-UHFFFAOYSA-N 439.476 0.683 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 512436464 KTAAWVCFABJLGW-KRWDZBQOSA-N 427.486 0.509 30 20 ICED CC(C)(C)C(=O)C=c1sc(=Cc2cccc(C#N)c2)c(=O)n1CC(=O)N1CCOCC1 514521392 RSXMKERUJRMMKD-UHFFFAOYSA-N 439.537 0.865 30 20 ICED COc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1OCC(N)=O 515488243 ZYMYEOFDNAMJJC-UHFFFAOYSA-N 446.485 0.681 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccn(CC(N)=O)n3)nnc12 515977421 WWKCUEPJSPZJPZ-UHFFFAOYSA-N 438.473 0.643 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 517307666 WKUZXSNYRCOYSI-QGZVFWFLSA-N 434.518 0.359 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 518954650 CWNHDKHKFHFCAT-UHFFFAOYSA-N 439.453 0.980 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1CC(N)=O 521615431 FSLGFGSMJAZSSM-UHFFFAOYSA-N 440.525 0.235 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 543148920 USVWNLJATYBHJT-UHFFFAOYSA-N 448.888 0.853 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 545205261 YYSHJMRWVFXHTP-UHFFFAOYSA-N 441.469 0.047 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)COc1ccc3c(c1)CCC(=O)N3)CC2 550197368 NCAMYZVOJKHPNY-QGZVFWFLSA-N 434.452 0.888 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 550407888 YVXYDMMYYQBGNP-LJQANCHMSA-N 440.525 0.943 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2=O)cn1 550411176 CXOZUUDIQZVOGQ-CQSZACIVSA-N 431.250 0.914 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)CC1 551750787 WHHLXXLHDSDGHP-FQEVSTJZSA-N 447.605 0.987 30 20 ICED COCCN(C)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 552623853 IPZAHJWVSYHFST-UHFFFAOYSA-N 430.465 0.149 30 20 ICED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 557773110 BPYDFCBJFDQJDR-UHFFFAOYSA-N 438.575 0.790 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 561398137 PWLYNTQECPWLBB-OLZOCXBDSA-N 442.567 0.919 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O 561413666 RULARFXLUCXZGX-LBPRGKRZSA-N 445.472 0.042 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCN(C)CC1 568303670 CZILFJFMSNSCPT-PKOBYXMFSA-N 444.555 0.782 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 571576747 HUODKCAUBPXDLI-JYRCXFKTSA-N 435.531 0.385 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 573828094 ZEEAYVCAZKOZIH-UHFFFAOYSA-N 440.447 0.359 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 574865886 DFENABOHVPKIAX-MRXNPFEDSA-N 430.490 0.365 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589487239 KFALPGHVEADJCZ-UHFFFAOYSA-N 428.536 0.014 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 603921741 KGILORVKVFCLLM-UHFFFAOYSA-N 432.506 0.393 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)s1 604270366 XAKZDCHOMWBCSO-UHFFFAOYSA-N 432.571 0.643 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604472863 OJXOHHLBMHYGJV-UHFFFAOYSA-N 438.553 0.740 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087168 AXJJIKLHNHTAKD-LBPRGKRZSA-N 430.433 0.886 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492420 IYMMCBDSDQCCPN-UHFFFAOYSA-N 434.449 0.633 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)C1=O 613853078 BRJIHLMYXCHBHJ-HNNXBMFYSA-N 449.485 0.188 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)C1=O 726043529 VVMFUEGHDYARGS-UHFFFAOYSA-N 425.419 0.084 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 733886551 PFBYMZMGOANONV-FMQUCBEESA-N 432.502 0.577 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 747495065 NKUAFZUHNBGZTN-UHFFFAOYSA-N 425.463 0.932 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C3(C#N)CCOCC3)C2)CC1 748374816 GYMPFQKWTHCADH-UHFFFAOYSA-N 442.538 0.400 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 764036107 YKKAMOCIPWJQBK-KRWDZBQOSA-N 432.458 0.773 30 20 ICED C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843832 PFAYMEQYJKWKDR-CZUORRHYSA-N 436.490 0.784 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)ccc1F 778338759 XQFNVJZBAUGICF-QGZVFWFLSA-N 441.525 0.853 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 779033242 PNNQZWJVOVIECX-YRHWPSCSSA-N 434.478 0.267 30 20 ICED CC(C)(C#N)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 781945334 UNOGNUHXNKUOOE-UHFFFAOYSA-N 432.524 0.640 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 782370459 SDPLZLNVUKOCFM-UHFFFAOYSA-N 444.425 0.985 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 785043701 LMZRDMNLCMBQDP-CJLVFECKSA-N 433.494 0.236 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCn2cnc(C#N)n2)C1=O 795182791 GOOCIEMRRLXFTB-HNNXBMFYSA-N 443.489 0.935 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)CCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 797270915 XPBVVDYSUAMAMP-VIFPVBQESA-N 427.426 0.902 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(CCOc3ccc(F)cc3)c2C)CC1 800481730 ZFJDAZIFQMFYDM-UHFFFAOYSA-N 428.468 0.312 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCOC 812933056 PMDXICPPLMMDED-UHFFFAOYSA-N 431.514 0.139 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCOC 838248714 UAYAOTSWLRHMGQ-UHFFFAOYSA-N 449.916 0.968 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 838281249 KUXBDWCMKMAJJT-OAHLLOKOSA-N 445.541 0.527 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1=O 915206812 WYNYKXSQWXENQN-OAHLLOKOSA-N 430.461 0.068 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 918721853 OHYCAURIOUFSIY-UHFFFAOYSA-N 449.562 0.804 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 920249215 NGBTVLLMQXKJEN-IAGOWNOFSA-N 440.543 0.406 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1299303075 PLUTVKIUAQOKDJ-OAHLLOKOSA-N 431.478 0.007 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncn(C)n1 1305786366 VWAIBNDNXHORTR-INIZCTEOSA-N 426.529 0.550 30 20 ICED COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccncc1 1327496641 PXOLHLNAQRWLPI-HNNXBMFYSA-N 430.486 0.658 30 20 ICED CCOCCC/N=C(/NCCn1cncn1)N1CCC[C@H](N2CCCS2(=O)=O)C1 1336675360 FICBFGNHEKOOJO-KRWDZBQOSA-N 427.575 0.150 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)cn1 1468364057 XKQJAZSNKXRPFU-UHFFFAOYSA-N 448.531 0.919 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1505121975 QHADSHFUTKPCNS-XLIONFOSSA-N 431.518 0.982 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1548325956 MNIYBJIHKZRFMF-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC=CO2)C1 1555813099 KWIWSSVCCHDVFO-VKJFTORMSA-N 440.501 0.746 30 20 ICED COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602196 ZCPYWVDHDGYYQQ-IRXDYDNUSA-N 440.508 0.484 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1624061182 PZFXLKGVMSTDAB-UHFFFAOYSA-N 444.583 0.463 30 20 ICED CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1680205941 QPFXJTNVRUGUOH-RBUKOAKNSA-N 440.504 0.799 30 20 ICED N#CC1(CNC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1681908462 UHYQSCYSNKKJJZ-UHFFFAOYSA-N 434.522 0.238 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1696689779 ZUVXYRMMFCUNOG-UHFFFAOYSA-N 437.504 0.767 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCOC2)C1 1712707428 WDEQJMTWYFEGAV-DLBZAZTESA-N 438.554 0.778 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1CCOCC1 1741126927 VXSROGLPLJVMIY-GJZGRUSLSA-N 427.575 0.595 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1747427342 NHUNHQQVFQLECL-HUUCEWRRSA-N 446.599 0.590 30 20 ICED CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760817756 WZBKHRQEUBNDHF-INIZCTEOSA-N 440.570 0.902 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778242599 UTEWXNYXIWRLTE-JTEGUGKQSA-N 425.485 0.678 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1778975790 RRJQVEPRGVNTCR-VFCRVFHLSA-N 441.525 0.233 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779020042 WTMQYKJALSLTII-VSIOZEBNSA-N 425.493 0.645 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107123 YGLVAAHDUHBOBW-RETMYHCQSA-N 432.477 0.358 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1779190345 DUDOGORSWMXMAP-IBPRQYQWSA-N 425.529 0.736 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[S@@](=O)CC)C1 1779215933 OWRBWNTYQWLYEQ-LZZKMCEZSA-N 439.578 0.517 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C(F)(F)F)n1 1780089616 YATHGYZXRNLLTN-GOSISDBHSA-N 441.362 0.641 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1)C(=O)O 1780169980 XUKYSNOYDMTQJO-UTKZUKDTSA-N 430.461 0.073 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1Cl 1780191628 GNSSSLPQQAVIGP-YWZLYKJASA-N 433.896 0.248 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)ccc1F 1780248509 FQDPFKFXEKVRMD-OAQYLSRUSA-N 425.420 0.467 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781106587 UVJXARNDWMUWLJ-JOCHJYFZSA-N 434.581 0.579 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342010 GNFBRHQMXDACLY-NJSLBKSFSA-N 431.555 0.410 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056885 JRZRCAUPHCMJGR-NRFANRHFSA-N 429.546 0.794 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197893 FZOUNFZOXWBBPR-UWJYYQICSA-N 443.529 0.992 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452466 MGCIXENYERDTLM-IVZQSRNASA-N 447.488 0.161 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784249413 OGIDKVRUHNLPET-CUWPLCDZSA-N 435.484 0.949 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCO3)C2)cc1C#N 1785196923 RYIRVOJRDHRTPI-QFIPXVFZSA-N 431.489 0.798 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518294 XAOKIUMJJPLACQ-HRAATJIYSA-N 439.509 0.849 30 20 ICED CN1CCN(c2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)cc2)CC1 1786362597 ZEWNBUBHBQYERD-JBACZVJFSA-N 425.533 0.945 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786840363 BVENQXKKEBSTAD-UFYCRDLUSA-N 438.532 0.311 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)c1 1786977082 XDVVSPRZAUIBTQ-BQFCYCMXSA-N 447.455 0.196 30 20 ICED O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787437298 ZGUWFUQUZIVVAG-YNAVOYIISA-N 427.404 0.788 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)c1 1789259069 FKHSNAJUWUQKQR-VDGAXYAQSA-N 438.488 0.842 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)c1 1790226709 MKDDQYMISNWBPA-CBVHJVASSA-N 449.504 0.868 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1790792516 PTDDEVFFZAJLJJ-JHWSBEJJSA-N 449.548 0.607 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792717265 HMFYIBSJRQSHKT-LHDHZVESSA-N 432.517 0.891 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CCC1=O 1793785502 MZGDLSVRIBQLNJ-OQSDGASISA-N 444.513 0.685 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795688765 XOGOOJKVQPHKNI-ZSBFGKGUSA-N 427.486 0.879 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cn3ccccc3=O)c2c1 1795776459 UPWCRBGEHLKXOD-VPTLXERWSA-N 446.467 0.500 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796574421 WLVJZYDKFZVAES-YYIAUSFCSA-N 431.493 0.530 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797706542 FTQVACOQLLCOGM-BAAGSCJXSA-N 427.505 0.594 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)n1ccccc1=O 1797838066 UFWTUAUCSZOSMI-SHLSCGKVSA-N 426.473 0.711 30 20 ICED O=C(CNC(=O)c1cccnc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798429817 HVXQADVGNINSOA-ZGUFOSNMSA-N 426.521 0.921 30 20 ICED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1 1799615339 ILBJZQFMHRFRTB-IUTQVRIDSA-N 446.507 0.958 30 20 ICED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12)C(=O)C(=O)O 1800876242 BQKFLWLIHQNGHM-BTTYYORXSA-N 438.444 0.229 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1800987577 CVJGVQHRTDSKGZ-LSSIXWDNSA-N 430.523 0.751 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]1c1cccnc1)C(=O)O 1808845970 QOSPXDKGBPMXLR-KNIMUDFMSA-N 433.509 0.951 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1 1809684209 NKUPCXGWPGCBCI-LVYMYFABSA-N 437.541 0.339 30 20 ICED 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CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090527 MJJPVZCEOWDZCR-ZFWWWQNUSA-N 442.582 0.913 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 22816330 CQAOUVMZUSVFIM-ZDUSSCGKSA-N 445.501 0.642 30 20 ICED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 25943139 QFPUCOLPJWEZNK-CQSZACIVSA-N 433.490 0.574 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)c3cccnc3)CC2)cc1 435152591 BGXBVGBXVFCFFB-UHFFFAOYSA-N 441.513 0.996 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 437724530 JAQJWKJFEMVXKW-UHFFFAOYSA-N 444.513 0.662 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 439340956 OJFFLXKQDXRLOW-CQSZACIVSA-N 438.506 0.805 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 460377579 UNFLQGDXYFZVSV-KRWDZBQOSA-N 448.501 0.828 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460783044 CWVPLLRWFJMGCN-IAGOWNOFSA-N 436.582 0.499 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1 463623750 NGBOZUVSLKHIOV-LFGUQSLTSA-N 436.468 0.898 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@](CO)(c4ccccc4)C3)n2)cc1 464025563 WXHDSNFXAQWYNQ-HSZRJFAPSA-N 430.468 1.299 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 465134351 XHPALTXAEXDYFB-HNNXBMFYSA-N 439.501 0.578 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)C2)n1 471664901 ONOQPXLHRJADDV-GOSISDBHSA-N 426.521 0.674 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 479874004 RBXOYKPGYZWTNU-QGZVFWFLSA-N 447.561 0.382 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)cs1 489004316 BSCLOIIZTLVWPE-DZGCQCFKSA-N 431.539 0.962 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)CC2)C[C@H](C)O1 507880299 NPWMDONARPSHKM-HOTGVXAUSA-N 445.549 0.830 30 20 ICED C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508748637 SCILQDQPVSUHQG-UHFFFAOYSA-N 425.449 0.967 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 510025009 ZRQXZFCKCBDHIM-GOEBONIOSA-N 430.552 0.712 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(C)(C)CN(C)C)c1=O 512766771 LXEZTKIZNZEFSA-UHFFFAOYSA-N 442.589 0.496 30 20 ICED COCCN(C(=O)CN(C)C[C@@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514085469 WKAGGFRSCBHUQY-HNNXBMFYSA-N 428.493 0.650 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cs1 516827866 UQXVOPNFCWWNIF-UHFFFAOYSA-N 429.571 0.723 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2sccc2C)c1=O 523743281 MZECDGCNTQQIBF-AWEZNQCLSA-N 435.571 0.970 30 20 ICED C[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@H]1C1CC1 544176583 XGBOOFKWSDRNBB-SFTDATJTSA-N 432.546 0.938 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 552358074 HPAFJLVSKLUGSU-ROUUACIJSA-N 447.561 0.379 30 20 ICED C=CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 553275998 CJDLJDXUSAYSPF-UXLLHSPISA-N 439.538 0.726 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 554966499 GXGMUGNZNBYNAM-UHFFFAOYSA-N 437.459 0.557 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1=O 556483858 ZYZQDKDAHJAKNJ-OAQYLSRUSA-N 439.428 0.827 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 560916153 LXZYULZWELKWCF-UHFFFAOYSA-N 449.939 0.540 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 564314201 HBWOKHLYKIQQNV-AEFFLSMTSA-N 439.534 0.325 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1=O 565922912 NCQUERFGOPWBPT-CQSZACIVSA-N 430.324 0.973 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 579686939 CCDOVDRITQOXQJ-OAHLLOKOSA-N 441.513 0.931 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 586838556 IYDVFSCZJLBMFT-LJQANCHMSA-N 433.940 0.934 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(=O)N(C)C 609739340 VOIUFSDHQDMEIT-UHFFFAOYSA-N 430.505 0.475 30 20 ICED C[C@H](NC(=O)c1cccs1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1cccs1 680339112 BJVHSWBWZOCSSO-OKILXGFUSA-N 446.554 0.982 30 20 ICED O=C(CNC(=O)c1ccc(F)cc1)NCC#CCNC(=O)CNC(=O)c1ccc(F)cc1 681340445 JTIAKEUXZAIQBW-UHFFFAOYSA-N 442.422 0.360 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1=O 685011019 LUAMVIUKRSFJGX-MRXNPFEDSA-N 436.538 0.414 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O 729673095 DPHXCGDASWEIHI-UHFFFAOYSA-N 447.582 0.682 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)ccc2c1=O 744624170 FQRRQENBYIHXBQ-ODXCJYRJSA-N 427.486 0.979 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 748319692 WKKKCEPQMQDCGO-UHFFFAOYSA-N 443.279 0.909 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 758050715 UGCMDOZAGKQXTK-UHFFFAOYSA-N 429.448 0.969 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 760862357 ZIZCKJPHNCNWEZ-KRWDZBQOSA-N 434.537 0.880 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c3c(OC(F)(F)F)cccc3c2=O)CC1 767862685 CNSVAMCHJCBTOA-UHFFFAOYSA-N 436.390 0.934 30 20 ICED CCOC(=O)CNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 771862263 LAGJZCGSUHKOEW-JOCHJYFZSA-N 441.488 0.674 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 774877825 OHULBMYWATXAMP-OAHLLOKOSA-N 431.559 0.962 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 779314172 AUGMTIUYJZAIHI-UHFFFAOYSA-N 441.531 0.851 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 780211609 YXMOTCJAMJACAP-LJQANCHMSA-N 448.435 0.509 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 787559221 OJAAMEMMDBLSFC-UHFFFAOYSA-N 446.441 0.479 30 20 ICED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789811477 OSLSZEGDUOZRQU-BANNAZRQSA-N 438.506 0.094 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 793017642 GPMFYZDYUHKOKA-UHFFFAOYSA-N 431.898 0.706 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794642229 KDPXBSVDUKNRQA-WBVHZDCISA-N 440.525 0.742 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798744898 WHACEXNCZWQPNV-OLZOCXBDSA-N 434.478 0.968 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 799288163 WPDQPSHBPCWSQB-UXLLHSPISA-N 437.518 0.314 30 20 ICED N#Cc1sc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1Cl 804335034 PSADXBNCVVDMIC-UHFFFAOYSA-N 447.951 0.826 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 805006748 DFGYXFISQBAGAM-UHFFFAOYSA-N 439.335 0.767 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 805738624 QVQRVZLKPLFMTQ-HNNXBMFYSA-N 430.509 0.879 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 806088150 NBFWTPIJPDHGEL-WOJBJXKFSA-N 431.537 0.251 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 811043153 WYFOJKZBBCVIHQ-OLZOCXBDSA-N 427.483 0.445 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 811833769 RKKWHEMSSXRGMC-NSHDSACASA-N 435.483 0.943 30 20 ICED CCCC1C/C(=C/c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C\c2cn(C)c(=O)n(C)c2=O)C1 884003321 LEZRGDAQTUEBFW-XCMCHEKJSA-N 440.500 0.728 30 20 ICED CN(C)S(=O)(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 917063918 VIPFADQYMQKWBC-UHFFFAOYSA-N 438.531 0.908 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1299301847 OWQKIMMYHSQEAS-KRWDZBQOSA-N 431.522 0.471 30 20 ICED Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1304845954 LGFFIOBZVACZRV-HXUWFJFHSA-N 430.534 0.725 30 20 ICED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1521083044 QZODHLPMBJWLAV-MRXNPFEDSA-N 428.518 0.968 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1540998027 LIGOYDASFKLWRC-KSFYIVLOSA-N 440.504 0.937 30 20 ICED CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1541471442 YCWVOPQASDDFDD-UHFFFAOYSA-N 446.581 0.961 30 20 ICED CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1611711309 MFZCOXBBZQMSRE-BBWFWOEESA-N 439.586 0.737 30 20 ICED COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1619317860 SSLVUOJEBANIIC-SFHVURJKSA-N 438.485 0.857 30 20 ICED Cn1c(O)nc(N2CC[C@H](NC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1=O 1639534346 UKDZWPPEHOQALJ-INIZCTEOSA-N 438.488 0.908 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1=O 1695866428 VEEPINKTTABHEE-UHFFFAOYSA-N 435.492 0.964 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CC1 1706003546 NLBZCYSGLYCCKJ-UHFFFAOYSA-N 442.568 0.808 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1712886104 IVYMGDYROWBENO-PXNSSMCTSA-N 447.517 0.178 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1749268789 HCQLFCWLWVUVMO-CQSZACIVSA-N 427.918 0.790 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1778967074 BWMAJUAFZKNLAQ-MEDUHNTESA-N 440.390 0.745 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1778968130 NDGVURCFLVKSGU-JTSKRJEESA-N 430.505 0.214 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779068303 YMMPCPCCVMMOJU-QHCPKHFHSA-N 426.517 0.971 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1780599916 SPUJZTUDEIWFCA-JPYJTQIMSA-N 425.533 0.638 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(C#N)c1 1781177256 VMLZXERARSFMTJ-KSFYIVLOSA-N 438.488 0.792 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781395874 CRBQKQLXUAAGMG-VHFSOBRXSA-N 441.481 0.112 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782223542 UEHSFEUINRBYFS-STXHMFSFSA-N 428.551 0.891 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564833 NMLFLCOFPADKLU-BTYIYWSLSA-N 435.477 0.161 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1784480400 JMIFGBGQXJNSAV-JUOHCQIYSA-N 428.489 0.537 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785169084 IWBKEEWSULSDET-DWRORGKVSA-N 434.562 0.746 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785576076 GOCRUOFUSDVLIL-JTSKRJEESA-N 434.537 0.295 30 20 ICED NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562291 JKWGIMQDLYUIKX-BZSNNMDCSA-N 433.468 0.221 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)C(C)(C)C 1788602275 WGANQBQPVRZARV-HPAQIXTCSA-N 449.596 0.989 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)[nH]4)C[C@@H]32)ccc1F 1789906864 QSWKPAPQXRDUFQ-YEWWUXTCSA-N 427.436 0.962 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C(C)(C)C)c1)C2 1792484204 INVGOYRVRWFMNB-WQUHTSSASA-N 429.521 0.700 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)C2 1793344508 BCTHUNMNKPVGKW-JVVIJLGSSA-N 445.491 0.572 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1793351144 HAKLCJCAEFWLBP-AJYBTWMASA-N 440.493 0.054 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794382642 NAPNBQDLMQIKEA-DGADGQDISA-N 428.489 0.669 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1796320834 AYNQQLNANCZHSQ-MVJTYMMSSA-N 429.477 0.217 30 20 ICED 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)cc1)C2 1797789915 MPPJOOXVWHBANE-YRPNKDGESA-N 443.456 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797889851 BRZMIZMLEFGKTA-NWYQELHNSA-N 429.473 0.080 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)cc1 1799642179 FUXNOEIUODRDAI-LRSLUSHPSA-N 433.512 0.921 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1800144926 VAFCWJQGANESGH-LJDSDSDDSA-N 443.548 0.782 30 20 ICED O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800893172 ORZZUSXKLDKWRZ-SQKIAGDQSA-N 436.509 0.118 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1801766605 VIODLWPQIZDEFC-PJKMLTEKSA-N 439.472 0.069 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccccc2C(=O)OCCO)C3)CCC1 1801984882 QRJTXNOBUOHXEC-HGKCTWBKSA-N 441.484 0.733 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1801989434 GUZXEXSLCRNVNC-OPMZPASUSA-N 444.557 0.575 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1801992718 SANDJFXWIOJTCP-FAQVEIGNSA-N 446.467 0.883 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1803551745 BIBAIWMOEGNXMQ-BVBHFADKSA-N 433.530 0.703 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1810567624 SGTCIMIUKQLJNX-IHPCNDPISA-N 438.488 0.752 30 20 ICED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814973208 UHQLKCFFGWSZNR-LBPRGKRZSA-N 435.554 0.608 30 20 ICED O=C(C/N=C/c1ccco1)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886477 IUYPOAMGMJMTKR-CKEDLHLESA-N 447.517 0.418 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485547 LHRMHNGMYHBXHP-MGPUTAFESA-N 437.449 0.831 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1829764439 LPXJYIBSPRLTAX-ZRHASKPBSA-N 438.868 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1829765460 XIVVNBPMBUUWSP-FUMRIQNTSA-N 448.564 0.177 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 1829773530 VLNMUGQRWMBCEN-KRWDZBQOSA-N 426.477 0.671 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)COC1 1830034764 FUOYWAOWMPPQDN-QFIPXVFZSA-N 439.472 0.541 30 20 ICED COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830235474 KKBSWHAPBXSOJV-QFIPXVFZSA-N 429.473 0.834 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831216647 WUEYHJXGALDXBG-NRFANRHFSA-N 443.891 0.866 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1831388582 ZLDMYWIFESTRNV-VGSWGCGISA-N 432.521 0.746 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831391007 DACALRUYIJLOIF-VGOFRKELSA-N 430.505 0.256 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831425976 YPXSIOQIZBWMPA-HRAATJIYSA-N 429.477 0.390 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831694937 VNVBOGYUIUFJMJ-NRFANRHFSA-N 431.493 0.119 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n(C)n1 1833442492 LWLHRJLUQHYUQW-QHCPKHFHSA-N 438.484 0.550 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc1 1833650522 OWZNBMUHSBMSFF-JOCHJYFZSA-N 427.505 0.911 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCCCC4)CCO3)C2)c1 1835132975 DKUPHYDAXRMOEF-JOCHJYFZSA-N 429.521 0.832 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835345442 MTIWBFUDHXHTSO-JOCHJYFZSA-N 442.472 0.632 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c([N+](=O)[O-])cc1O 1835359963 RJISRJLDKZWSNB-FQEVSTJZSA-N 448.432 0.683 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675472 RSLNODSISSARLK-UZLBHIALSA-N 426.583 0.679 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(Br)c(CC)nn1C)CCO2 1836285952 WUENYGILYWNHQK-SFHVURJKSA-N 439.310 0.448 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837396394 CMBXDLNMCTVSKY-JXFKEZNVSA-N 440.928 0.566 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837396593 GKXSUEULOASWTK-ZHRRBRCNSA-N 443.504 0.601 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837488736 OAPLBKMENVTBMK-QFIPXVFZSA-N 431.489 0.752 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837533702 ZUQCNUVVZGVBBW-LQWCGFJLSA-N 449.508 0.328 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)c1ccccc1 1837617776 ZGVMVCKGEPJFAB-ZJSXRUAMSA-N 444.528 0.649 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1oc(C)nc1C)CCO2 1838006670 SHTGRCNCZIBRSW-NRFANRHFSA-N 435.477 0.871 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839030217 DTODRENQAAWTKK-XOBRGWDASA-N 439.509 0.929 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1839362915 WZTXNFAYGGCGEZ-QHCPKHFHSA-N 436.468 0.770 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488021 RVKIBEVKXLYSRZ-QFIPXVFZSA-N 441.488 0.666 30 20 ICED COc1ccc(/C=C(\C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839726427 MHNAKEIMLUBTFG-GNBRFLJNSA-N 442.468 0.643 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1839784758 UUSHSOGWRACYEA-BBRMVZONSA-N 440.440 0.139 30 20 ICED C#CC(=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 1839810831 URTFZNOODRSVHE-QKZPVBNUSA-N 433.505 0.189 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839880542 TWUKVWUGASQPLH-KSFYIVLOSA-N 428.489 0.347 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1)C(F)(F)F 1839893431 UKQHDGOATXHBCF-KRWDZBQOSA-N 440.382 0.313 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039847 BBWLYOFJJFCPJZ-XGRCMKMKSA-N 433.505 0.476 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840173111 CDVIYZHEDICXQJ-QFIPXVFZSA-N 426.473 0.649 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840231600 BMXUZGNCKONKIB-GCJKJVERSA-N 426.473 0.154 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)C1 1840571824 ROBJZBNIXNHEHZ-JOCHJYFZSA-N 430.480 0.258 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)c1 1840594898 YSWZMQOCQFMFTL-HSZRJFAPSA-N 443.500 0.942 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c1 1840714055 UTYJLVCATFUCBZ-IERDGZPVSA-N 449.529 0.428 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)Cc4ccccc4)C3)C2)CCC1 1840816375 PIPRBHIWUYYHHA-XXBNENTESA-N 427.501 0.740 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1840955538 WFRIIKZSTOQGEN-JOCHJYFZSA-N 435.521 0.723 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(=O)n(C)c1=O 10781528 RYXQGFLXCWIKOV-ZDUSSCGKSA-N 428.445 0.850 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 429134529 KMEOXYFMCVYJTL-UHFFFAOYSA-N 445.549 0.770 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CC)C[C@H](C)C#N)c2)CC1 437397536 ZUIUCFLWFVOVHF-MRXNPFEDSA-N 435.550 0.959 30 20 ICED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 437432109 WFTBCMAUXYHIGN-UHFFFAOYSA-N 438.536 0.621 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1-n1cnnn1 441896336 YXFFKGYZWKIICZ-GOSISDBHSA-N 446.471 0.846 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCN(c2ncccn2)CC1 443093672 ATUKACLEWMDLDT-UHFFFAOYSA-N 431.478 0.747 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cnn1-c1cccc(C#N)c1 443707101 JBZVMGBCGPDGSL-UHFFFAOYSA-N 447.459 0.409 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)C(=O)Nc3ccn(CCC#N)n3)c(C#N)c2N)cc1 444507779 PZDACSNPZDJOJC-UHFFFAOYSA-N 445.487 1.432 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1-n1cnnn1 473379598 MXBBIWMCHXUHLE-UHFFFAOYSA-N 446.471 0.825 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)n2)c(F)c1 479612075 OKOLLCYSUIGDDA-OAHLLOKOSA-N 438.423 0.769 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCN2CCOCC2)n1 481786044 JYSPBSWMDNXBNZ-OAHLLOKOSA-N 432.506 0.392 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488617305 DNODICJXEPKASX-GOSISDBHSA-N 437.456 0.834 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 489019833 VFBUVLWZOGIWBS-XJKSGUPXSA-N 425.466 0.662 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 505401828 GJVUNJCUFMNMSR-UHFFFAOYSA-N 435.550 0.191 30 20 ICED COC(=O)C1CCN(CCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 506265411 XKTAAHYVHXWHHY-UHFFFAOYSA-N 436.534 0.883 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 508119417 LUWIQCFBSADTAY-INIZCTEOSA-N 430.490 0.190 30 20 ICED CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508994170 HGSWZHPGUFYFGJ-UHFFFAOYSA-N 443.485 0.202 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 521497544 JQZISGTXVXOVMN-RTBURBONSA-N 437.500 0.783 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 524282862 PBGVFWVYMSCJOT-UHFFFAOYSA-N 447.900 0.895 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1F 526038158 QERQPKVSUVUYCN-AWEZNQCLSA-N 429.473 0.341 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)cc1[N+](=O)[O-] 526283471 HEJDTKFNLULDRA-UHFFFAOYSA-N 437.478 0.472 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)CCN2CCOCC2)c2ccccc2O1 527085497 LFRBLZHJOFXKMB-GOSISDBHSA-N 430.461 0.028 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)s1 531909821 VCYVURIKOSLASW-UHFFFAOYSA-N 432.527 0.027 30 20 ICED COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 539481892 AXSHAOYZZGTLSY-SJORKVTESA-N 440.591 0.592 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1 550101161 CBUFMSCGFGRNKD-UHFFFAOYSA-N 432.506 0.506 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2N2C(=O)CCC2=O)CC1 551191139 WPDUNZQDEQVPKZ-UHFFFAOYSA-N 432.440 0.894 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 551924501 PODBWGUJJMTYNI-HNNXBMFYSA-N 437.477 0.640 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 552504313 RZBOQIQHDLSGCR-UHFFFAOYSA-N 437.547 0.431 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nn1 555028076 WJRAZKDTLRDDOR-UHFFFAOYSA-N 435.400 0.765 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 555732277 GGBYYVPSFKJXQS-VQTJNVASSA-N 441.532 0.643 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 556035652 MTJHHTZPLATYIG-UHFFFAOYSA-N 426.498 0.849 30 20 ICED CN(C)CCNC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 579782312 YZSIFIBUJLMMFO-UHFFFAOYSA-N 443.529 0.444 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 581095616 WFUOGYYMMIRYHR-HLIPFELVSA-N 441.532 0.785 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 588866217 HPPYUBDKOMJZSX-SFHVURJKSA-N 433.472 0.309 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 604033451 YIPJTNUAAVYONT-UHFFFAOYSA-N 427.486 0.841 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 613245666 JWSFBUSOKKMLPF-INIZCTEOSA-N 427.509 0.683 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2C(F)(F)F)C1=O 726043217 RJOFXWBHIOKWIS-UHFFFAOYSA-N 445.325 0.981 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 726180400 IGUWEZBQBBMDRT-UHFFFAOYSA-N 437.529 0.271 30 20 ICED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 727012635 KLIWICVOYYKREM-LBPRGKRZSA-N 430.442 0.506 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 728762294 COJOYZAQWBDKOZ-CQSZACIVSA-N 446.407 0.509 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 733150772 UAROXSSMTWLDSC-HXUWFJFHSA-N 439.520 0.058 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(=O)N(C)C 742535518 ZBODVJWEXAFXEC-UHFFFAOYSA-N 448.907 0.596 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1N 744110549 MDTKHMWIHASPMK-LBPRGKRZSA-N 449.489 0.703 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 749694872 XFJBAIGIMVSHGZ-XEFZIOHMSA-N 435.550 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(F)(F)F)s2)c1=O 763010668 ACWZUYHWIPFZEY-UHFFFAOYSA-N 441.456 0.889 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1C1CC1 769637280 RWQPLLJJEXZZOG-UHFFFAOYSA-N 429.546 0.541 30 20 ICED C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)CCO1 782908042 XNLFDYDBTXTFFJ-GOSISDBHSA-N 429.521 0.925 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 783453485 NTHYNWIZWUPQLV-UHFFFAOYSA-N 442.497 0.753 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCC1 784193652 VCMSVFKVJGYEGY-UHFFFAOYSA-N 434.474 0.197 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)NC(=O)COc2cccc(C#N)c2)cc1F 784898541 YUILZYOWEMZMFB-UHFFFAOYSA-N 427.435 0.953 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2=O)cc1 806684721 IOFFWMNZJLCCPC-QZTJIDSGSA-N 426.473 0.972 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)CC2)c1C#N 809527670 UVKGFXMUIDUMRX-BZUAXINKSA-N 434.591 0.745 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 812362132 QYARZUGCBSJHLT-UHFFFAOYSA-N 438.487 0.368 30 20 ICED CCCC1C/C(=C/c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C/c2cn(C)c(=O)n(C)c2=O)C1 884003319 LEZRGDAQTUEBFW-MBKDJOQRSA-N 440.500 0.728 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCCNS(C)(=O)=O)C1=O 914556217 XYGXXFHWMMKEPH-ZDUSSCGKSA-N 434.490 0.972 30 20 ICED N#CCSCC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 915386143 DBWVXKIEWUOVEO-UHFFFAOYSA-N 427.504 0.124 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)cc1 916574651 FLVZKKMYRNDKPF-UHFFFAOYSA-N 442.497 0.879 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCNC(=O)c2ccco2)cc1 1316533582 WDONVKPJNHRDHR-UHFFFAOYSA-N 435.444 0.688 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1 1318164941 CIVAYDJPXNWHLI-SFHVURJKSA-N 447.499 0.556 30 20 ICED C=CCn1c(Cc2noc(C3CCN(S(C)(=O)=O)CC3)n2)nnc1N1CCOCC1 1337900185 DMUMELVOQAVGLE-UHFFFAOYSA-N 437.526 0.414 30 20 ICED COc1ccc(OC)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1504299743 MIJKKDOOVKWDMC-YOEHRIQHSA-N 447.517 0.974 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)n(C)n1 1511661622 VSJPZFHAESNYTL-CZUORRHYSA-N 436.542 0.297 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1541935497 OTRNVPUSKVVQGU-ZBEGNZNMSA-N 433.485 0.400 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1643118650 QFUJSYFSEVDDSU-MEDUHNTESA-N 432.424 0.895 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1S(C)(=O)=O 1651555570 JJHFXBNMSPWEEC-AWEZNQCLSA-N 435.527 0.987 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692670285 KVESXVDKIWMIDY-HOCLYGCPSA-N 445.549 0.798 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCOCC1 1707912112 UPIIEEWAZOJIGB-SJORKVTESA-N 425.541 0.932 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1722870683 VRBNSANWVOWEGG-ZBFHGGJFSA-N 436.542 0.183 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1741046245 ZGHUOQPUWLEWSG-KRWDZBQOSA-N 428.518 0.920 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1751573388 ZSXMFNPRSUNXEZ-KRWDZBQOSA-N 434.522 0.786 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778917908 ZQFXIUKJKXQORH-VGOFRKELSA-N 442.520 0.694 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1781367968 VPSOCOVIFVHZHQ-KTBSFVAFSA-N 431.514 0.938 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782558451 JKRFEBIPFWUBCX-JTSKRJEESA-N 429.521 0.200 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1783135852 AOPVJKKUNXDYEG-DENIHFKCSA-N 431.489 0.460 30 20 ICED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)c2ccccc21 1785364999 OHMOKBUBJJKUBG-HSZRJFAPSA-N 437.500 0.864 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1785377513 JUGFHJSXKDWMCH-JOCHJYFZSA-N 444.557 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788030909 KRWUQYBFBIZEMZ-HHHCWWNTSA-N 438.488 0.181 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788639000 XTZLFDCSUBQAIV-MUGJNUQGSA-N 447.576 0.970 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789767418 IEVCRXJDYYTMPP-NADOGSGZSA-N 431.533 0.405 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)COC3)C[C@@H]21 1792255632 RRPJGPXUOUPDAR-XSLAGTTESA-N 449.548 0.919 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1793349098 GKLVZLCPGQQGPI-WDTWZTHCSA-N 438.550 0.361 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728414 MJBDNNAAOHAWSV-YFKTTZPYSA-N 426.363 0.522 30 20 ICED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccnc1 1795681899 FPYARRHARORNPZ-SVDQLPMDSA-N 445.520 0.590 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CS(C)(=O)=O)nc1 1796538109 QHZOXRMNOKMNDM-DQEVTTJGSA-N 433.530 0.916 30 20 ICED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)cnc2c1 1797067209 XDEQYYQFIBWYOF-HGKCTWBKSA-N 435.484 0.900 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797380589 XYHOUFUASINLTK-CCWDJLKJSA-N 427.461 0.442 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1797646921 BCYIQUSILLXKIK-BASYENTBSA-N 448.545 0.810 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797837520 ZLAOEBUCNVAJGF-JUDNYXHBSA-N 449.357 0.643 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1 1798104868 XJEIJBVSLAPEIX-UPHUGPLXSA-N 427.501 0.992 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)ccc1F 1799327606 MXGUJPKYSCWOOT-ZSBFGKGUSA-N 442.407 0.775 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732762 IMHUBXXVPGUASX-BDMFXPILSA-N 435.546 0.412 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1802679739 JMZJWJCNSITFTN-QXTIAASZSA-N 443.552 0.830 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1803547761 BJEKFLHTWIBZMX-IDHHARJASA-N 425.493 0.459 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810390805 URNJJWAVFYYFRS-UOLQTRPBSA-N 440.504 0.392 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811540771 LJIHSSYRLJNLGY-KVSKMBFKSA-N 440.460 0.665 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1812677121 RGWXBOMYXAYXSQ-OFQRWUPVSA-N 427.427 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSCC(=O)O)[C@@H]1c1cccnc1 1813083573 DTFYXXFWHCOGED-GLPQSPQZSA-N 446.529 0.764 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824461819 KFURJUCGNDVAKR-GOEBONIOSA-N 427.523 0.022 30 20 ICED COC(OC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828563195 BTCSAJXLKGYRCR-JOCHJYFZSA-N 444.488 0.971 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OCC)CCO2)C1 1829536949 ZVHUAYWYKRVVIU-HTAPYJJXSA-N 431.489 0.589 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1829773594 NZIRLZBHEBHRAX-WTVRISBWSA-N 445.520 0.067 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1829887578 WZVXUFOINOJGHD-XMMPIXPASA-N 425.529 0.836 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1830641945 IDEIVGJMSPPRIB-JTSKRJEESA-N 436.553 0.919 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830871623 KGGRJPGQTFBCMX-RBBKRZOGSA-N 433.480 0.713 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1831397751 XAGVLPMZDYDPCD-OPAMFIHVSA-N 432.473 0.509 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831420661 ZXMLULYRAMNTCO-HTAPYJJXSA-N 448.520 0.182 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1831427015 RGPCCUVVEMTHKQ-IFXJQAMLSA-N 426.901 0.735 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)c1 1832207912 FKCMRVYQFSCTCJ-QFIPXVFZSA-N 449.471 0.401 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833062488 VRAFTNNTIZDPGC-GCJKJVERSA-N 433.505 0.719 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833147227 XAQYQRLILYQXTM-CJNGLKHVSA-N 448.593 0.910 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833615260 ZVYWMSKJIJYCPF-QFIPXVFZSA-N 443.504 0.292 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834619149 JYTMCEIRVZFNTO-HXUWFJFHSA-N 426.627 0.845 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834948202 MBDOJVPEEVYZOG-UFTUAFODSA-N 443.500 0.380 30 20 ICED CCc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835674019 CRVWKAJUHCGRHE-QHCPKHFHSA-N 443.548 0.996 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1835677915 PYZILXVDOYYXMA-NRFANRHFSA-N 431.493 0.139 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836043653 KFIDDNZJXVMHBX-FQEVSTJZSA-N 437.518 0.651 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190105 JGZJVIYWKFVKGI-LRHHQANISA-N 446.504 0.610 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1837311745 MWLKBZZQQYZMLQ-LQWHRVPQSA-N 440.562 0.788 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837397249 NYGHTFXMZVHDEJ-ACJLOTCBSA-N 434.436 0.126 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837485969 RNSFMLFYHFGORA-GCJKJVERSA-N 429.521 0.927 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524606 CMZRKHYWQWLJEN-KQKDOZOKSA-N 449.508 0.328 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528324 GUJNIHZCCOTOFU-JBPDNEKASA-N 435.481 0.317 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837562013 ALXZEZZMVSRNRP-IGPUNGKJSA-N 433.505 0.972 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837563612 RSCACIPFSXRWOK-JBMWNJKUSA-N 442.472 0.872 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C(F)(F)F)CCO2 1837963708 ZNCMTJFDOGNLNM-GOSISDBHSA-N 428.411 0.922 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)CC1 1838629451 VOIPKUFALKFSBY-RBUKOAKNSA-N 449.548 0.846 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1839174349 VNOKUNCOPOTWHG-OAQYLSRUSA-N 435.477 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839175370 FKZAINHQKAVWCJ-DYESRHJHSA-N 439.509 0.753 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnoc4)C3)C2)ccc1F 1839187032 GDKQOPMTJJSRBI-OAQYLSRUSA-N 428.420 0.998 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839228437 DEWJPDYHFARBDQ-RDTXWAMCSA-N 431.511 0.062 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1839761459 KNANVJVRQXYTMM-OVRHDEQLSA-N 447.488 0.498 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1)C(F)(F)F 1839891522 JXBRRZHURYQAJJ-IBGZPJMESA-N 447.454 0.964 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)oc2ccccc12 1840042841 QIFCWFPEAADSDY-JOCHJYFZSA-N 426.425 0.899 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840842059 KXMTUYATQUJXRE-HSZRJFAPSA-N 438.484 0.486 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258440 CBUKDESOKCALTD-YDZHTSKRSA-N 447.561 0.915 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022238 HEZNFTNUNSQTFV-HNNXBMFYSA-N 432.546 0.668 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCC(=O)N2CCN(c3ncccn3)CC2)CC1 303988020 WBYFROOQEBPKSR-UHFFFAOYSA-N 446.556 0.383 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CCN1Cc1ccccc1 437233911 QUUXLOZAIUBUTN-CQSZACIVSA-N 426.458 0.835 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1C 440303614 DDISMYDOCPHHCQ-UHFFFAOYSA-N 426.868 1.452 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(Cc2ccccn2)n1 446800113 BONHGBCPQOBTFP-INIZCTEOSA-N 445.487 0.972 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465198200 WJOSRHLALHHTAH-WWDZGPRUSA-N 444.536 0.723 30 20 ICED CN(C)CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 467643982 PUUPOICKUIUEHK-QGZVFWFLSA-N 441.575 0.955 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)CC2)c1C#N 472880054 XAVKGBZCJKAXEP-UHFFFAOYSA-N 444.517 0.432 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 476169511 YLKZBQIPUVSAOZ-ROUUACIJSA-N 428.489 0.869 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 478232886 JBKWWNWRDKBZKM-KRWDZBQOSA-N 428.489 0.885 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@@]3(C#N)CCOC3)CC2=O)cc1 478663774 WGDJTMRBRVZJPA-MGPUTAFESA-N 434.518 0.869 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 480443283 JYXOKXVYKXNGOA-LSDHHAIUSA-N 433.534 0.036 30 20 ICED Cc1c(C#N)c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(Cc2ccco2)c1C 485418592 HSMXPOKXEJWOKS-MRXNPFEDSA-N 438.488 0.589 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 486611002 JTUQKRGKUXNTSW-ZDUSSCGKSA-N 446.507 0.528 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 491237577 RTXTVPFQPCFOHC-QZTJIDSGSA-N 443.548 0.685 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)C1=O 499238986 CYBULGSVUPUCBD-UHFFFAOYSA-N 436.446 0.051 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1 501217710 MOKDIUCDWIRMMY-QGZVFWFLSA-N 443.525 0.270 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 511897028 QAPAVRYZMKWJTB-UHFFFAOYSA-N 434.305 0.649 30 20 ICED Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cccc1S(N)(=O)=O 513706014 WSZCTVVTCRPQBS-UHFFFAOYSA-N 448.526 0.661 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)(C)CN(C)C 524281219 MJNCTUPJABJFNL-UHFFFAOYSA-N 427.574 0.922 30 20 ICED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 527030639 XNBDAUAVMCGEHI-CQSZACIVSA-N 439.472 0.665 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1Cc1ccon1 531938754 KTAVBRSDNIDOEA-UHFFFAOYSA-N 432.408 0.797 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 548895237 CGQXKJMAXFEYPD-UHFFFAOYSA-N 430.486 0.882 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 553116349 UJZHTGAIVDMZHW-CFZJUORYSA-N 433.490 0.204 30 20 ICED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569759331 GNJYRDFEIMRIDR-JLTOFOAXSA-N 436.516 0.873 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 571241328 VZHXJJBWHDBJPN-SELNLUPBSA-N 440.500 0.966 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1F 573192512 BLQYUMBJUPPRNZ-UHFFFAOYSA-N 444.488 0.058 30 20 ICED CN(CC(=O)NCc1cccc(NS(C)(=O)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 603444782 YZZCCSXMGLQWDW-UHFFFAOYSA-N 436.515 0.867 30 20 ICED Cn1c(N)c(C(=O)COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(=O)n(C)c1=O 728108008 AYVGWEOHJRFIFT-UHFFFAOYSA-N 438.396 0.750 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)ccc1F 728880825 HUGYHDBQFGJDFO-UHFFFAOYSA-N 440.541 0.916 30 20 ICED COCCN1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 729068893 BLCWCXCJHAXOAO-NWDGAFQWSA-N 432.389 0.508 30 20 ICED CCNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 731754048 IVBPTQLOEQGZOD-HKWRFOASSA-N 431.540 0.560 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)CN1CC(=O)NC1=O)CCCC2 732356803 KZOJPVPMGRUVCI-ZDUSSCGKSA-N 443.460 0.451 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)c1 735479341 MPLFWJOOAJQPTQ-SFHVURJKSA-N 441.557 0.934 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742051638 XRZZOVLXFTXJID-CQSZACIVSA-N 431.518 0.782 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742537953 RUPUPWOGFIBTOT-CHWSQXEVSA-N 428.536 0.044 30 20 ICED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)NC1(C#N)CCCCC1 745151382 IMHVVJPTJIATEK-LBPRGKRZSA-N 429.520 0.907 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 751094616 HONBGDAQCVHFSL-RCCKNPSSSA-N 447.473 0.415 30 20 ICED Cc1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 756702618 WZMQTQDKDOYXNP-UHFFFAOYSA-N 431.474 0.209 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)c1cccs1 767674405 FUGHQVYXLBDAMB-LBPRGKRZSA-N 435.483 0.829 30 20 ICED CC(C)N1CCC(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 767677833 BJAJOVAJEGHIPV-OAHLLOKOSA-N 436.534 0.757 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770658383 SONQLBWWKBRRLY-UHFFFAOYSA-N 438.465 0.585 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)NS(=O)(=O)CC3(C#N)CCC3)cnc21 771076170 PYTXMVNSPMUNDL-UHFFFAOYSA-N 443.283 0.032 30 20 ICED C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H]1CCCO1 800942922 LOLZKRJTQZBOOK-ZWKOTPCHSA-N 437.493 0.589 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 802601114 IVGTZWADHUQDLO-UHFFFAOYSA-N 428.833 0.232 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 803106306 UTDRCUUTVUKJKM-OCCSQVGLSA-N 448.505 0.716 30 20 ICED C[C@]1(C[C@@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)NC(=O)NC1=O 804554616 DFDBYEUNHBGMJN-RNODOKPDSA-N 447.517 0.485 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806863780 RHFFFDOIUTVMJK-IRXDYDNUSA-N 448.483 0.517 30 20 ICED COCCn1nnc2c1CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 817827545 ORFSNRSIMFFBAJ-CYBMUJFWSA-N 432.506 0.327 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC)c1=O 838179952 JBYCVBVAYUORRZ-AWEZNQCLSA-N 431.514 0.219 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 887546168 DRPXIUCPNPYEQK-YCPHGPKFSA-N 441.506 0.275 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1cccc3ccccc13)c(=O)n2C 916917930 LNJDZNFNEYHMSX-HNNXBMFYSA-N 430.424 0.934 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 917688884 XMNJNIPOGLUYRK-ZBQKJFDRSA-N 428.536 0.862 30 20 ICED COCCCNC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 918381791 YQLSOZWFNHFOPS-UHFFFAOYSA-N 436.534 0.507 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 919019843 BQGHDAOJWQLIAX-HNNXBMFYSA-N 435.502 0.272 30 20 ICED COc1cc(C#N)ccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1125091847 PQBGFGGUCAIKOG-UHFFFAOYSA-N 429.502 0.844 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)CC1 1318460342 IRUMSDISBPOIKW-UHFFFAOYSA-N 435.484 0.937 30 20 ICED CN1CCN(C(=O)c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1318516133 IXJOXZXNWNKSAJ-FMQUCBEESA-N 440.504 0.400 30 20 ICED N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1465381312 IZUARHHKZBTOSG-MOPGFXCFSA-N 432.546 0.206 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)CC(=O)N2 1596429384 YJUBLDUMVQAPBN-UHFFFAOYSA-N 439.453 0.278 30 20 ICED CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1617981278 STMHKWYJTJRHLX-HXUWFJFHSA-N 439.501 0.793 30 20 ICED CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1708310570 URMMMFMTMKJDID-CABCVRRESA-N 426.543 0.776 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(F)cn2)C1 1750210871 XNCTXHTXIGBLOQ-KRWDZBQOSA-N 449.512 0.933 30 20 ICED CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1766254487 TUZIMHXTSREVNB-QGZVFWFLSA-N 436.520 0.954 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767849887 QSPSBDAVEMVLJK-UHFFFAOYSA-N 441.521 0.416 30 20 ICED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1769542709 JCBYHHWXIIVTPO-OLMNPRSZSA-N 428.559 0.806 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)[C@@H]1SC(=N)NC1=O 1778077693 LBKQYHBJHFAZLH-PCRRDVQSSA-N 435.550 0.853 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779100885 FSDPEFTWVNGYLM-PDQMUUICSA-N 438.481 0.188 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1779106304 SBNSVFZONZQMKW-GAMXZPBPSA-N 447.492 0.848 30 20 ICED CC#CC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)c1ccccc1 1779478100 OJCPNQYJVLVMDS-OOICKAIWSA-N 426.561 0.984 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(O)n1 1781364981 YCLXUIQVVYXMMA-FDDCHVKYSA-N 442.516 0.970 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1781860763 JTIMLBOQQVUFNB-VGOFRKELSA-N 444.488 0.845 30 20 ICED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1782065107 RBAGVBDVKYEJGN-SQGPQFPESA-N 432.583 0.888 30 20 ICED CC(C)Oc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)cc1C#N 1783045353 SBWCVBTTZPVHGB-JXHRLWIKSA-N 443.548 0.759 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1783056271 QSIWUHRBCDNEOG-IBGZPJMESA-N 439.921 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3COC)C[C@@H]21 1783530934 WTOZTXZIZWAGHO-BVZCXFIXSA-N 432.477 0.273 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2C[C@H]21 1783558634 UFYZMDWHPHNBIV-NXLNFEJXSA-N 447.488 0.302 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)cc1O)CCO2 1783563319 NPCONUGNMHJCPL-SFHVURJKSA-N 437.246 0.686 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783566500 CSRYRHGWNSRSJI-FQEVSTJZSA-N 430.417 0.192 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1785728368 JRYXZSQHZWENTB-IERDGZPVSA-N 436.509 0.756 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512386 HQDFBPJIMTUQQI-MWDSRFMCSA-N 448.545 0.060 30 20 ICED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788407481 UITDTMBFIBAPLH-CYBMUJFWSA-N 435.444 0.599 30 20 ICED CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788489693 JQLPNMULDIGSNZ-KDKRTOAMSA-N 426.583 0.597 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1788661423 RHJQATOEAQXJAQ-YWWIBMGISA-N 434.497 0.177 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(C#N)c[nH]5)[C@H]4C3)(C1)C2 1789347466 NRWBJUYURWQAKT-OGBSMPKWSA-N 426.473 0.823 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C3)C1 1792441480 PPMLCCNFUQEAHZ-PJVZLEMVSA-N 449.548 0.770 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793243865 PTFVKINIOWJUOR-XCRNZQRYSA-N 426.517 0.995 30 20 ICED C=CCO[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 1793357445 QABWAGDBHFLWMU-DFYYWFRZSA-N 442.516 0.671 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cnn1C 1794890824 BJRVGDQTXCJOKR-CCWDJLKJSA-N 433.472 0.994 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N)C(C)C 1795464682 UNGBUHBZBHEOOC-OREBXVKISA-N 447.536 0.910 30 20 ICED COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1 1795597783 ZLZINOAUYQOOIW-PIKOESSRSA-N 444.532 0.600 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)C(=O)O 1795639045 BXWWVPFYYJWKCN-SUMUDYOHSA-N 435.502 0.139 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c1 1796958861 UUCDHAUOPOFQHN-ALXJQNPVSA-N 447.455 0.522 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797713208 GZCLXFWTILEPEU-ZDUSMZPESA-N 443.500 0.794 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1797969213 VAKCLAUAPFKORW-WLVWHVFCSA-N 442.516 0.668 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1N(C)C)C2 1799303980 QCEBZHYYIUZBLA-CWPLJXCYSA-N 430.505 0.860 30 20 ICED C=CCC[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 1799320719 NCCHNYKVEMCNEQ-SFNKJDCFSA-N 438.569 0.997 30 20 ICED Cc1ncc(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773279 HREQVMZMGVAMJX-DPIQGUFMSA-N 436.262 0.444 30 20 ICED CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1801241864 XOUVVNKPTPJHSB-FOZXBRDWSA-N 425.555 0.638 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCSC(=N)N)[C@H]1c1cccnc1 1802480358 FTLWXDMGRHRJNO-MARJLNQVSA-N 444.561 0.963 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803447059 DTPJDWLXIMTOIL-MOXGXCLJSA-N 432.546 0.829 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)CC1 1806848045 ROMXMYSGKYSWAU-CRAIPNDOSA-N 433.472 0.645 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808835917 CEDJOPORAKVBJR-SIXWZSSISA-N 444.492 0.440 30 20 ICED O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CN1 1812639267 IFTLOIFGLXVGMU-JQXXOUDQSA-N 426.521 0.695 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813338194 GJRJZIXUPJFAPB-DWLFOUALSA-N 436.516 0.971 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819361345 VYJLKLGNGPIQHN-KGLIPLIRSA-N 432.481 0.527 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774625 KMKVRRMNLYVYBA-SQYMIKHXSA-N 435.554 0.974 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1819847990 CEICOMDOAAMBLW-KBPBESRZSA-N 430.530 0.890 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1829786828 CXEZQBBVIGFZFQ-FQEVSTJZSA-N 430.567 0.870 30 20 ICED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1831380710 KJPSUIHFRNVWSG-HSZRJFAPSA-N 434.533 0.568 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831434908 IFIOLSNAYBZLSQ-KKSFZXQISA-N 434.493 0.327 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831439828 SXSLKORGCREAFB-SFHVURJKSA-N 432.564 0.268 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831498844 PUUNCYPSWFBPOM-DYESRHJHSA-N 435.546 0.810 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831687004 GTWJHAAJQCPRPA-KKSFZXQISA-N 425.526 0.196 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1833468382 QXWFUUYOVHLTJR-ZWKOTPCHSA-N 442.564 0.887 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1833468881 HATFRTYFCWHUNA-CQSZACIVSA-N 446.470 0.275 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834732240 KYDLSRWVRJNMIS-HXUWFJFHSA-N 433.597 0.919 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1834759876 ANBCLLNTFMNKJZ-JOCHJYFZSA-N 428.489 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1)CCO2 1835019711 PJNMRDLBEVTMNK-KSEXMQBYSA-N 445.491 0.683 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)o1 1835096761 JWKHRHIWKOWJOR-QHCPKHFHSA-N 438.484 0.862 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1 1835124161 QCXXJVFQXPRYME-PGRDOPGGSA-N 426.473 0.101 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835167307 NAZCWWYTNOPBLU-HSZRJFAPSA-N 426.469 0.828 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835651615 AGDIPPVTBNKKGK-SKFLCBSZSA-N 437.522 0.172 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837430397 OMETUTDXLXLECV-NRFANRHFSA-N 448.596 0.370 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837445267 MWGLBPNPCMVCPG-DHNIJCFSSA-N 430.505 0.934 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837797477 OLAQCAJVUJKFND-SCLBCKFNSA-N 438.441 0.189 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838149631 CDLSIUQUVZPXMN-PGRDOPGGSA-N 434.537 0.855 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838310258 BBCNHGKOQMDCIF-LIRRHRJNSA-N 441.916 0.944 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c1 1838579453 LMLWCJQBLVFBDQ-SIKLNZKXSA-N 431.489 0.654 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n(C)n1 1838737880 CWLLPXPBBOXWON-NRFANRHFSA-N 426.477 0.566 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 1838896475 IYQOJIDDSPWXHC-IBGZPJMESA-N 440.374 0.863 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1839225571 NIPVWLTXEYZEAZ-KKSFZXQISA-N 444.492 0.600 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c(F)c(OC)c1F 1839417109 BARQLGAHEROTOH-FQEVSTJZSA-N 439.415 0.966 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420697 YERMSRJPQVSWAB-JOCHJYFZSA-N 441.463 0.744 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840130860 XVZXDUMESZVNQL-DNFLGLBLSA-N 439.509 0.587 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840433457 USZIBRWOQXULDB-PGRDOPGGSA-N 448.520 0.485 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1 1840714163 WHRPJFVRKNMVCB-KSFYIVLOSA-N 428.489 0.472 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840817262 PEIYPTHLKKCSQZ-JOCHJYFZSA-N 448.520 0.615 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840819418 KILXEPNKWSXDMS-OAQYLSRUSA-N 425.445 0.430 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3Cc4ccccc4C3)CCO2)C1 1840941689 AZSBMGUPNGOMEK-UUOWRZLLSA-N 426.513 0.896 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945823 IBYREKVNRBWVCG-IBGZPJMESA-N 425.457 0.035 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOC)C2 1845189472 HNPWMBSCWYDXCV-UHFFFAOYSA-N 426.510 0.769 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1847071455 TUNBFOOTYMYLNB-CVEARBPZSA-N 432.521 0.633 30 20 ICED CCOC(=O)c1sc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C#N)c1C 14596628 RJNBFTCUTAXVCO-UHFFFAOYSA-N 430.446 0.491 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 428803246 LDDALUNCJUIXHW-RTBURBONSA-N 437.541 0.500 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 430415176 DWTMVRWTKNRORU-GDBMZVCRSA-N 442.563 0.382 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)o1 461641239 HTYSKNJOEUHLHQ-CQSZACIVSA-N 425.463 0.608 30 20 ICED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471040271 SMXZRVWHQSMALR-MRXNPFEDSA-N 426.477 0.738 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500842592 SNSAUAKLVBBTFM-MRXNPFEDSA-N 436.534 0.861 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 501529161 GEKSAANMKQHBQO-CQSZACIVSA-N 438.506 0.164 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 503327578 YHFOGMWOJJKTIZ-KGLIPLIRSA-N 445.563 0.712 30 20 ICED COc1cc([C@H](C#N)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 505548026 XLCPGDYMQIQDSA-DQCCPPGYSA-N 429.429 0.556 30 20 ICED Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 508342847 PGVPWVHYVWXYKY-SFHVURJKSA-N 447.503 0.857 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 512444609 QLGIOHWJEFFULL-HXUWFJFHSA-N 448.593 0.148 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3)CC2)CC1 512464390 XAIPKTZHWOPSQS-NRFANRHFSA-N 426.565 0.935 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(C)(C)CN(C)C)c1=O 512767993 WCJIALMEQNUAJA-UHFFFAOYSA-N 444.605 0.742 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 513504683 FWGWKCDNQLXYLC-AWEZNQCLSA-N 442.407 0.102 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 516274545 ACIJJGAFMOTOSG-OAHLLOKOSA-N 445.549 0.982 30 20 ICED CC[C@@H](CCNS(=O)(=O)c1cncc(C#N)c1)NS(=O)(=O)c1cncc(C#N)c1 519605617 CDXIGKJFAYVBOA-HNNXBMFYSA-N 434.503 0.645 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc1 538690012 OFPOBAIEWTZNMR-UHFFFAOYSA-N 435.483 0.982 30 20 ICED COC(=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 539381284 QJCIDTVIOHOQNJ-MAUKXSAKSA-N 441.488 0.859 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)s1 542825902 YQEZWCBVNNUQMB-UHFFFAOYSA-N 425.540 0.786 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 559844831 MFPOZLJKHZDCEA-UHFFFAOYSA-N 430.490 1.549 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)CC2)c1C#N 574933490 UFBHAAAOIPRBMG-IRXDYDNUSA-N 443.552 0.448 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(c4nccs4)CC3)CC2)c1C#N 578778846 RALVHZAQLSEUBB-UHFFFAOYSA-N 442.549 0.491 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1Br 579147799 RWPZBMCYLWJSIF-UHFFFAOYSA-N 434.294 0.682 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)s1 582142176 VBIHRLBXFDRAOZ-UHFFFAOYSA-N 433.515 0.383 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 583552601 BYRVBFMHGPBNSO-CQSZACIVSA-N 448.615 0.715 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587665856 RCGBVDRKZFMFIV-KRWDZBQOSA-N 443.504 0.607 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)c(F)c1 588193686 SIIHFFRVXRUCTF-SJORKVTESA-N 442.495 0.845 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 608843238 LAIYBOBVEHDCEG-UHFFFAOYSA-N 449.519 0.314 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 611149737 HUGUYBTUFBBZTP-CYBMUJFWSA-N 435.423 0.744 30 20 ICED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(=O)N(C)C)c1 618433513 FVYJRPMLRKLTBP-UHFFFAOYSA-N 449.536 0.734 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 619451506 PCPAXFQSHJSILX-UHFFFAOYSA-N 436.515 0.202 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 674195362 SMIJTJZHUKCZNY-UHFFFAOYSA-N 427.505 0.194 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1F 726583866 JAJFQWHUKYMTPX-UHFFFAOYSA-N 441.488 0.808 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(C)c2C)c1=O 731203727 SFDJTZBNNBYCMI-OAHLLOKOSA-N 429.542 0.827 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 731214134 CLFANCNKWIFBKP-DYESRHJHSA-N 448.545 0.636 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc([N+](=O)[O-])c1 732908013 GZDALDZQSMGFPR-AWEZNQCLSA-N 432.418 0.063 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(OC(F)F)c1 734146931 RSUNLRJQXUPKBG-UHFFFAOYSA-N 434.424 0.635 30 20 ICED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 742594205 OIZCPQSTGQMJBL-LBPRGKRZSA-N 434.430 0.420 30 20 ICED C#CCN1CCN(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)CC1 749873967 IDFFLRFISLPXME-UHFFFAOYSA-N 433.534 0.691 30 20 ICED COc1cc(OC)cc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)c1 752627438 RUHNNDYLJADTRZ-XROMVWTOSA-N 428.445 0.699 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1=O 752800753 QHQMYRMXUBCSDR-CVEARBPZSA-N 435.525 0.736 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn(CCOC)c2)c1=O 758053953 WSXMEKZRFZMLCI-UHFFFAOYSA-N 436.468 0.911 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1OCC(N)=O 762006595 ODUKGEXODWLVJR-IBGZPJMESA-N 438.440 0.970 30 20 ICED Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O 765145169 GKLLDYVBQQNBOL-UHFFFAOYSA-N 443.510 0.073 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 770181187 SLHIZDCCQCMTBG-OAHLLOKOSA-N 441.469 0.504 30 20 ICED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3c2ccc(Cl)c3Cl)c(=O)n(C)c1=O 771893204 XURXFETUGQOFNB-UHFFFAOYSA-N 432.245 0.026 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NS(=O)(=O)CCCC#N)c1 782631029 IITBOWFXUNZKBR-UHFFFAOYSA-N 444.535 0.197 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCC[C@H]1CO 782874457 ZQVOLJQGCOIXMO-SFHVURJKSA-N 442.541 0.998 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)c1 787972141 PTTLJMMCGNJENC-ZGIZLIOWSA-N 444.460 0.666 30 20 ICED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)n(C)c2n(C)c1=O 789422408 IGLKFFJQDLOKJO-UHFFFAOYSA-N 435.849 0.219 30 20 ICED CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CC(C)C 789933701 KGUMBQHHBIYCMR-KRWDZBQOSA-N 430.509 0.879 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 796273663 OBXFONIEAXZZNS-UHFFFAOYSA-N 432.414 0.604 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C(C)C 799273637 ZAZWKTLYKUARCJ-CRAIPNDOSA-N 449.529 0.973 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](S(C)(=O)=O)C1 800631765 YELAACINJRUJJL-ZFWWWQNUSA-N 427.548 0.929 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)n1 808185811 DRUMBOVNZWNXBR-FQEVSTJZSA-N 443.548 0.931 30 20 ICED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 810581775 WNVSQFWNMBFKIJ-SECBINFHSA-N 426.804 0.830 30 20 ICED C#CCn1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)cn1 819536849 BHPCGZNDPMWAHX-OAHLLOKOSA-N 434.474 0.756 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)cc(C)c1 839185837 GTEBPQCSFHFZNS-UHFFFAOYSA-N 437.525 0.515 30 20 ICED CC(=Nn1cnc2c(cnn2C)c1=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917546339 UMTRKMRSDXDFGT-UHFFFAOYSA-N 431.522 0.632 30 20 ICED CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918249114 RIKLVQSKEMLPRY-JWGURIENSA-N 438.506 0.896 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919666304 KBKHHVMNEKSAHY-ZFWWWQNUSA-N 435.458 0.095 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 920248308 CSBPYWZZSJBIBO-KRWDZBQOSA-N 444.435 0.902 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)OC)CC2)c1 927569657 FIOXQBJYINIYMR-CQSZACIVSA-N 436.486 0.555 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300831189 SQWIAIGYIJCHFQ-NWDGAFQWSA-N 449.375 0.854 30 20 ICED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1519521244 PYHYDKJTBIOWHN-KRWDZBQOSA-N 430.490 0.892 30 20 ICED CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1545204683 UFSATKGHYOFAIN-BTYIYWSLSA-N 441.540 0.954 30 20 ICED C[C@@H](CC(=O)NC(c1nccn1C)c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1641681254 QQQVFPSWORLIKZ-ZDUSSCGKSA-N 441.517 0.877 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1747427110 JSXNWWNZEFWDNJ-KRWDZBQOSA-N 433.538 0.664 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1749831049 UQLAXQLFIYRUTD-CVEARBPZSA-N 442.542 0.014 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1778980468 VVQMLXIFLSQKEH-APPDUMDISA-N 431.415 0.840 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779020048 XAUARNPOVNDEBL-VSIOZEBNSA-N 425.493 0.645 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779064487 AYVMFPHPQKSELT-QFIPXVFZSA-N 433.505 0.357 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779065280 YJOHUHWBOULAMG-HSZRJFAPSA-N 433.549 0.237 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779178121 ZVHLBZSPCVYFLO-YYFZDKIDSA-N 435.550 0.379 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779420121 OEHHHCGMTLSISH-VDALEZFKSA-N 447.492 0.839 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020591 BYOYSIQFJQXNMG-IBGZPJMESA-N 435.431 0.986 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1780332251 QPLBJCPUEUFUOB-FQEVSTJZSA-N 443.485 0.442 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)N1CCN(C)CC1 1780641630 BVFCTQFQIDVJOL-YCRNBWNJSA-N 431.581 0.830 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781470786 XXDYVGRRHORLHL-JXXFODFXSA-N 426.583 0.575 30 20 ICED CN1CCN(c2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)cc2)CC1 1783482942 DPGDHDJVJAZZMO-JBACZVJFSA-N 425.533 0.945 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1783672981 ZNKKEPQLYSYTIK-UFYCRDLUSA-N 441.532 0.742 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783929366 LZJCWYIRVCHBFA-VXKWHMMOSA-N 429.473 0.812 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1785079912 REIONUPYWOSBQD-REDKUUPNSA-N 444.488 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(OC)cc3F)[C@H]2C1 1785734841 NWXZHTRTJWDCMV-QCVNDIHVSA-N 446.479 0.681 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788606531 WSFYHQMJKPSKJD-IOGVMZDASA-N 429.521 0.659 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1789958589 UVHCNYVECBFXTJ-WPVAHCMFSA-N 437.585 0.403 30 20 ICED COc1cccc2c1C[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]31)CC2 1790764798 AATPTEKCUVITFM-VKRLORBYSA-N 440.496 0.868 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791264001 XHRDXMBKPUYBOZ-CWVYHPPDSA-N 445.582 0.560 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1792258896 SSULJZSDPDTHLS-FKSLSLAPSA-N 449.548 0.919 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)c1 1792631902 ILJLVWIJRALXHO-DEYWJSPQSA-N 427.505 0.788 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797700940 XDBYGNTXOFPLTB-DQEVTTJGSA-N 427.505 0.663 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1797783331 MLRIRYOECVECET-XOIINTDNSA-N 428.432 0.385 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1799304073 LGCVYIQWUYRPPH-PDOICOKGSA-N 431.489 0.508 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1799393473 IJWSWLZJCDBYBC-HGTKMLMNSA-N 430.465 0.439 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C2 1800452625 PDTYSNJABNBPKU-FQLMCAECSA-N 427.448 0.854 30 20 ICED 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)CC#N)C4)[C@H]2C1 1800723106 GQHPHUKZQZUYKI-PDDMAZILSA-N 448.520 0.372 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)c1 1800736598 XHEPLCWLALKGHP-YXUVSNDUSA-N 445.479 1.000 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)c1ccc(O)cc1 1801055366 OEOBNVZYVQAXAJ-OVCNXMPXSA-N 427.501 0.744 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1802025208 RSXFXKOXLGRJEZ-SFNKJDCFSA-N 435.521 0.625 30 20 ICED 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#N)CC1)C2 1802125428 XOVRWRVSGAHBTJ-YYIAUSFCSA-N 430.505 0.796 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]1c1cccnc1 1803435069 QKDVIDQHIJPCOX-XUNGWOPCSA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCN3CCOC3=O)CC2)C1 1804853617 ZXFNQMKIPSFJNA-PLNGDYQASA-N 432.521 0.918 30 20 ICED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1807116415 TTYXTEAGDDRBDG-POHYDNSXSA-N 437.504 0.639 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1807123865 DUCRROSFMPEDHX-YQVWRLOYSA-N 429.521 0.963 30 20 ICED Cc1cc(NC(=O)CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1808391111 OJJVDOWPLCSPEV-QVKFZJNVSA-N 439.428 0.501 30 20 ICED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1)C(F)(F)F 1814770522 WUJXFOCBIDZQBZ-MRVPVSSYSA-N 442.356 0.898 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828909852 UTGWMTFCLUMZBO-NRFANRHFSA-N 447.513 0.116 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1831385752 FRZFURKNNBIWNV-VGSWGCGISA-N 431.489 0.589 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1831393725 OBUSCZPPATZUFG-KSFYIVLOSA-N 431.489 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1831397284 QETPBOPGKOQRRM-JPYJTQIMSA-N 429.517 0.861 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831421374 ILEIRRDSBWOKMI-VGSWGCGISA-N 432.521 0.809 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831692002 AKHAPSPKZSUSBZ-NYNQOQISSA-N 448.520 0.317 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2)C(F)(F)F 1831891496 XQSGLCZYBNRBFY-SFHVURJKSA-N 429.395 0.574 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1832013530 NUFGZVUEWAHVDX-AXHMDWHKSA-N 428.551 0.741 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1832446871 JPPWVQGETHSDEN-YJBOKZPZSA-N 434.580 0.043 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1833675028 PNGMPBSJSUBBDB-HXUWFJFHSA-N 438.456 0.437 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CC)C3)C2)c(O)n1 1833696044 PKEGOSAUVBTWAJ-PGRDOPGGSA-N 433.505 0.747 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834388326 LIABATHBTKDTES-QFIPXVFZSA-N 439.472 0.290 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834388607 SMDHWZBIJCTBHU-NRFANRHFSA-N 427.436 0.664 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834612675 MUZJTMKJDHGMQU-JOCHJYFZSA-N 445.520 0.904 30 20 ICED Cc1cnc2c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnn2c1 1835564137 WTPXJJBJAVWVTA-UHFFFAOYSA-N 438.488 0.311 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1835753383 LWBCIJXUTXAENH-UHFFFAOYSA-N 443.548 0.133 30 20 ICED NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768052 JIRPSTVKMPGETB-VQYZLWMVSA-N 437.541 0.353 30 20 ICED Cc1nc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1836554659 RTNUISIYBHSMBT-QFIPXVFZSA-N 449.471 0.850 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1837397650 YSQMIKGEAGAMPD-AVRDEDQJSA-N 433.505 0.733 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n(C)n1 1837441187 WGLBACUXEQTMOT-XWRADEMYSA-N 432.525 0.270 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837493604 MQTAEHVBTIVBPB-QHCPKHFHSA-N 444.532 0.497 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837562015 ALXZEZZMVSRNRP-XMHVBLFMSA-N 433.505 0.972 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838533058 IDBDUSXIMHUNHB-AVRDEDQJSA-N 433.505 0.028 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4C)C3)C2)c1 1838580555 JIVHFRZGMVTVRS-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732716 AHJXIEAPYFFJQD-OAQYLSRUSA-N 432.477 0.688 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839225504 LEGMROXRYVFIGN-HRAATJIYSA-N 444.492 0.600 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839275054 IMUJZRHVLDVENU-KZULUSFZSA-N 425.463 0.689 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361349 DPBNIUQNLVPZSL-QHCPKHFHSA-N 442.516 0.691 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839466411 XTFYWXBDBMPYNR-NRFANRHFSA-N 444.444 0.983 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986572 SYDLMSRLAFMBGP-HRAATJIYSA-N 441.525 0.559 30 20 ICED Cc1cc(C)c(OCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840040242 SDVPXSGHOCGCMF-HSZRJFAPSA-N 444.484 0.535 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3-c3ccccc3)C2)C1 1840042817 PEMXPLQPBMKETN-DEOSSOPVSA-N 449.463 0.907 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1840042976 ZSCVIIQSDGVGDP-GCJKJVERSA-N 441.440 0.048 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840853062 CONNKXYTVZZEMW-BPRFCRFOSA-N 448.520 0.460 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809011 CGSRXBFQUDJQCX-AWEZNQCLSA-N 434.493 0.950 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796495 CWYNWLQDRQGCSD-OAHLLOKOSA-N 431.493 0.979 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1846449876 AUKCWFXUOZXVCD-HOTGVXAUSA-N 432.521 0.892 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)c1 16559761 SNSSOGQYGWREAC-UHFFFAOYSA-N 448.478 0.600 30 20 ICED CN(CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25507583 DALZYPBNWOPQRT-UHFFFAOYSA-N 447.561 0.335 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409522152 QPQURXZBWOMVRK-QGZVFWFLSA-N 442.563 0.585 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(-c2cccc(F)c2)c1C 428756202 CVAZCEAYLYNFAG-KRWDZBQOSA-N 438.463 0.686 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 433523889 FWCAALVNADFSNY-UHFFFAOYSA-N 434.449 0.877 30 20 ICED CCc1nnc(O)c(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1CC 441886099 RDEJSVJEBFERMO-UHFFFAOYSA-N 434.460 1.323 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)cn2)c1=O 474351668 MDXZXJIQBKZFJT-UHFFFAOYSA-N 430.530 0.306 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479369454 YYGBWLUTWTXJMB-LBPRGKRZSA-N 429.527 0.348 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1Cc1ccon1 480948392 BPHRJGIUJJDQSF-UHFFFAOYSA-N 447.476 0.632 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 481790760 BFIQMWARGXCJIX-HNNXBMFYSA-N 432.506 0.392 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 482192210 JZJHJOLLZZZKQY-OAHLLOKOSA-N 441.513 0.673 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cscn2)c1=O 497576534 LFAJBDYOFXCPBB-HNNXBMFYSA-N 448.570 0.591 30 20 ICED CSCCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 502055527 ZVIRBJROVNWOLX-UHFFFAOYSA-N 440.554 0.933 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 508497311 KSVABCFNWVNXMF-LSDHHAIUSA-N 426.543 0.292 30 20 ICED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 510670589 VBDRPSCJVFKCRO-UHFFFAOYSA-N 428.898 0.965 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccccc2)c1=O 512762892 WPEJPOYZLZMEQP-GOSISDBHSA-N 449.536 0.914 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)ncn1 516121786 NMWZYLDSIFGSDC-KRWDZBQOSA-N 428.518 0.974 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 532916796 RVEOVEBSCYKWAD-HXUWFJFHSA-N 442.497 0.862 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(OCCO)CC2)CC1 534510746 ZSKLEVGIJGFGMX-UHFFFAOYSA-N 429.477 0.928 30 20 ICED COC(=O)c1cc(I)cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 534832177 SRAGYECTCXPACW-LBPRGKRZSA-N 443.197 0.767 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542076216 ONNLOSGDEPOJCA-AWEZNQCLSA-N 448.480 0.750 30 20 ICED CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc2O1 548042718 WJDFIGYQRZKPTO-INIZCTEOSA-N 447.473 0.785 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 555245568 KHGSZNNEPZVVAT-DLBZAZTESA-N 438.598 0.793 30 20 ICED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571173476 WJWIHBUNUUOLMJ-GOSISDBHSA-N 439.516 0.492 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 571815261 BFUNABMSLOZVNJ-FPOVZHCZSA-N 442.541 0.836 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 572172843 SJLFTDPOQLYXHI-CYBMUJFWSA-N 443.489 0.150 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOc1cccc(C(F)(F)F)n1 573356349 QGAHYTBADRZREN-UHFFFAOYSA-N 439.398 0.864 30 20 ICED Cc1nsc(N2CCN(C(=O)Cn3ccc4c(=O)n(C)c(=O)n(C)c43)CC2)c1C#N 576557148 YEJPGMXLEJCPRM-UHFFFAOYSA-N 427.490 0.024 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 579541815 LXTZJWVCWGDUSN-UHFFFAOYSA-N 435.440 0.394 30 20 ICED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659396 NDUGZADLAJQZFA-KRWDZBQOSA-N 440.548 0.750 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 588812585 RQXGPQKEUXZYCP-XLIONFOSSA-N 441.532 0.787 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC(C)C 604434362 GSRHRWXCFBAQLF-UHFFFAOYSA-N 444.469 0.494 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608911920 IRAGTTSHRVKHMB-UHFFFAOYSA-N 437.308 0.507 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 610799870 AAPNXEIMPNNCPD-UHFFFAOYSA-N 448.570 0.343 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 612230425 YJIANVWCZFRYNE-DYVFJYSZSA-N 440.460 0.566 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 612272114 QXYNEFIKMSRJEX-IBGZPJMESA-N 438.481 0.937 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@@H]2CCCCO2)c1 619861606 TXMWMXUMALJACP-ROUUACIJSA-N 435.488 0.533 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCC)NC(=O)NCc2ccc(F)cc2)CC1 728532959 PAUAIUCDFQRMDZ-IBGZPJMESA-N 431.512 0.687 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 728536245 PUHYXDBFVSDDAY-UHFFFAOYSA-N 448.589 0.546 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)nc2O)CC1 729256739 FXMXKEWIBHPFNE-UHFFFAOYSA-N 436.516 0.769 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1CCOC 730440824 ZZFWAMRGRUWPEY-UHFFFAOYSA-N 437.905 0.476 30 20 ICED O=C(COC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NCC#Cc1cccc(C(F)(F)F)c1 730657811 BVVAFIRUTMSBRF-UHFFFAOYSA-N 433.346 0.801 30 20 ICED CCOc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909568 CKOXPZAQVXXFAG-PBHICJAKSA-N 433.486 0.404 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)nc1 733891898 VFXACLZAOHXJNJ-VXPUYCOJSA-N 427.461 0.823 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 748646460 WICMJULGNKIISA-LBPRGKRZSA-N 432.527 0.144 30 20 ICED C[C@H](CC(=O)N1CCC(N2CCCNC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748921847 MBOFIYCSBALTQX-CQSZACIVSA-N 433.534 0.910 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 749704992 NVIQVWBPCGDBSN-MRXNPFEDSA-N 448.495 0.462 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749867536 AKSGFUDFZYHEHZ-HNNXBMFYSA-N 444.557 0.907 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 751100013 XXLVTYRFZXWFDA-VHEBQXMUSA-N 434.541 0.439 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1C#N 752395187 XCUGVRCTVQZMBR-UHFFFAOYSA-N 437.478 0.605 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 756935908 BSCFOEDTRRSIEM-OAHLLOKOSA-N 435.554 0.077 30 20 ICED Cc1nc(/C=C/c2cn(CC(=O)O)nn2)sc1C(=O)/C=C\c1cn(CC(=O)O)nn1 759075523 HOWOWQROXJJDAB-VOERYJCWSA-N 429.418 0.870 30 20 ICED CCOC1CC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)(N2CCOCC2)C1 767167145 XAMOWFCNAXDUNJ-UHFFFAOYSA-N 436.534 0.111 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 783346679 GWQNOAMVEJDHBP-UHFFFAOYSA-N 439.559 0.840 30 20 ICED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784414586 KIZCRLDJPCYOHZ-CSUZIONRSA-N 449.533 0.421 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)s1 787755122 PQVIKPBCHXOROP-CYBMUJFWSA-N 435.531 0.835 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 789797580 BBKSUSDFJBCXBM-UHFFFAOYSA-N 443.483 0.547 30 20 ICED CCS(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 791818519 QQOQZWKCDVJVHT-UHFFFAOYSA-N 427.529 0.897 30 20 ICED Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 793808656 WDAGEZXRRSXMQO-UHFFFAOYSA-N 430.472 0.807 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCC(NS(=O)(=O)NC)CC3)ccc2c1=O 798134829 CPHGSUPRJXYIGN-UHFFFAOYSA-N 437.547 0.530 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 801288084 OFLLYFXLFFLCMC-UHFFFAOYSA-N 432.484 0.941 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 804061659 ZQVTVSPIHFIPSK-RTBURBONSA-N 448.527 0.734 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccc(S(=O)(=O)N(C)C)c1 804390100 WGMSLRWRLPDXHN-AWEZNQCLSA-N 444.517 0.609 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 914855419 FSUJDHYFPZZEGY-CYBMUJFWSA-N 426.495 0.757 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)COC)CC1 916690138 IDKGIUXVCFAHQB-MRXNPFEDSA-N 436.534 0.601 30 20 ICED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 919818933 UIPJFJHSOCIMQZ-KRWDZBQOSA-N 428.532 0.526 30 20 ICED Cc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(=O)n1C 1341913440 BIKLZOYMQXVYFR-LLVKDONJSA-N 430.280 0.036 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1516023205 JFBDUKZLKBMLSV-MRXNPFEDSA-N 441.521 0.512 30 20 ICED CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613422717 FHJMKXFZUKNOOG-DOTOQJQBSA-N 430.557 0.898 30 20 ICED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1619925927 SREIZPNPRYWHSF-YJBOKZPZSA-N 437.501 0.513 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1690329614 YPTFMTSRUXJZQR-RYUDHWBXSA-N 427.980 0.900 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1698486240 VNTKWRQIICWPNU-INIZCTEOSA-N 449.558 0.876 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N(C)CC 1708754300 GMNWUWIDXPXQCS-KRWDZBQOSA-N 430.557 0.851 30 20 ICED CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710877636 DBFXYVVSGSELGG-GOSISDBHSA-N 429.550 0.875 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1730419718 PYNVGHTWAWIAJV-GOSISDBHSA-N 428.493 0.773 30 20 ICED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CCC1 1746491829 WRXHRHCLEZMEEH-ZIAGYGMSSA-N 425.559 0.933 30 20 ICED COCCN1C[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1749864359 NRJYEQLOGVHLLR-QZTJIDSGSA-N 425.493 0.488 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1751096742 WZELXGXWLBVYSR-OIISXLGYSA-N 439.586 0.690 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1751279094 RBBJGOPUNXEJDV-CABCVRRESA-N 435.554 0.783 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1752389645 YHKPENFJLVHTQC-YWZLYKJASA-N 447.517 0.503 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760697788 WNUWRFKVWDVEOG-YWZLYKJASA-N 443.533 0.662 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1768530853 VKGOHBOPPZJQHP-RHSMWYFYSA-N 448.505 0.411 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1770749094 UKGLXXWLVXOLOF-HIFRSBDPSA-N 438.414 0.727 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1=O 1771136565 TZEYOSVTAXAGEZ-QFIPXVFZSA-N 440.504 0.917 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1778266967 JHJUERYENRTQBV-QHCPKHFHSA-N 441.532 0.014 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020587 QWRVFOBTERIDQA-VSIOZEBNSA-N 437.541 0.813 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781350958 HRSQMIFFXQZQQH-YCRPNKLZSA-N 436.509 0.396 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)ccc1F 1781779380 KNTVKCHBQWJVPN-GEQKSPFYSA-N 442.491 0.890 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1782013375 IIYZEUPIOKAQDZ-QLJPJBMISA-N 429.355 0.039 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1782469527 WKAHUDAHLOOELM-AEVYOOLXSA-N 437.566 0.289 30 20 ICED 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)CC#N)CCO2)C1 1783582541 ABOLFQFESJSNCM-MPBFYENKSA-N 448.520 0.489 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783888833 MNIRIWGRCZPDKA-KSMMKXTCSA-N 431.555 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21 1784484434 CJDALZXSQOPDML-LEAZDLGRSA-N 437.500 0.899 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1784502948 LXDOVJLBDXHBGE-QZWWFDLISA-N 434.493 0.882 30 20 ICED Cn1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1784576674 UPJXLLKBCDUODX-QFIPXVFZSA-N 433.472 0.854 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785378771 PLSLCWMAVAMHAJ-QHCPKHFHSA-N 442.516 0.489 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1786858555 YVCVXQHNLIBOKG-BZSNNMDCSA-N 429.521 0.110 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015803 UTOGBLOBJXXHLE-LQHLUTLQSA-N 438.488 0.181 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789345158 XVCKUCICOJZVTJ-AKCLSAJKSA-N 444.517 0.282 30 20 ICED Cc1nc2ccc(F)cn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790382801 AFFHEIZHGQBNLC-BPUTZDHNSA-N 428.420 0.463 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4c3)[C@H]2C1 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0.264 30 20 ICED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/N2CCCCC2)C3)no1 1798510565 QRHHIDXCLBUXND-ATNKJDLSSA-N 430.509 0.823 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c1 1798579762 OKMQLFPIBQXRIX-UPHUGPLXSA-N 437.456 0.027 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798711990 HVKQRIQIPDSITB-YFKTTZPYSA-N 432.403 0.828 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)c1 1799857972 JFYNFYOSODAONZ-YVWYUNDQSA-N 434.489 0.846 30 20 ICED CCN(CC)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800778808 HKFJJIZJPQTNQQ-UDKICSLYSA-N 427.501 0.747 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1801001842 NWROEDUUOOMZOK-WKZKVMAPSA-N 443.500 0.696 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1802482668 OPCBMMUQHWJZIE-OCOIBCLLSA-N 441.532 0.278 30 20 ICED 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XPXFIJZJNCUABT-QGZVFWFLSA-N 427.509 0.870 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NC(=O)C=C)n[nH]1 1819576326 QXYFKDHXYLXYRM-SYMMMWLZSA-N 428.493 0.951 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824668655 XZPXGUGALMQZBQ-NOZJJQNGSA-N 428.536 0.553 30 20 ICED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1826680278 GKUFGQZEMMBLJZ-GOSISDBHSA-N 436.578 0.640 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826928399 ISCNHWTXIINBPU-SQYJXRJJSA-N 433.553 0.057 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)CC2)c1 1828969232 PPPDKHHAYOSBDI-FPOVZHCZSA-N 429.521 0.770 30 20 ICED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)C(=O)C(=O)O 1828998496 HYUPEYGWNXWBBI-XNQWGTPPSA-N 446.504 0.861 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(Cl)cncc1Cl)CCO2 1829605618 PBUMCPPKMNBEPP-SFHVURJKSA-N 442.255 0.546 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831218072 KGXQUABNMXJHBF-SFYKDHMMSA-N 429.517 0.257 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831254432 JGUAIQJYDKMZRL-SIKLNZKXSA-N 426.473 0.940 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831413749 HDPZAIKRXVPQIA-QHCPKHFHSA-N 445.516 0.838 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1831414336 ULTAJIZJGDFCCR-PXNSSMCTSA-N 430.567 0.540 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1832066276 LMVWDOKVVAZSAD-NZQKXSOJSA-N 426.517 0.917 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)s1)CCO2 1832607462 KDVXHDFLNIOJAJ-SFHVURJKSA-N 426.878 0.488 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)OC)CC2)CC1 1833465049 IKPRQOJKTXWJMM-MRXNPFEDSA-N 439.578 0.503 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1 1833467822 BSAWZYUNCOHLRR-KRWDZBQOSA-N 438.532 0.953 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)c1 1834448158 IVIHOCNQTMDTOA-QFIPXVFZSA-N 441.463 0.744 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834602944 MGLKDNWDZSIMLX-HNNXBMFYSA-N 427.571 0.190 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1834715930 VDYCTCRRLFFTAX-UHFFFAOYSA-N 444.584 0.522 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CSC(=N)N)CCO3)c1 1835505734 ZLFVEIAKUCPXJI-OAQYLSRUSA-N 445.545 0.574 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)CCC1 1836115915 SNNMBODVHIOWHM-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837428946 NSEXFZVTONTXML-NRFANRHFSA-N 447.612 0.786 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474632 MSUUXXIZPUKZBW-YCRPNKLZSA-N 433.461 0.471 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c1 1839451264 JIAANBPEWQQQNB-KSFYIVLOSA-N 428.489 0.448 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533082 RCCUIMIDLDHOMT-IIBYNOLFSA-N 433.509 0.700 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484257 IJVHYTVLSPIYFK-IOUFHMPJSA-N 430.505 0.929 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840492140 FMXAOSRTCIZRLX-IWGJDDPLSA-N 446.552 0.681 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1C 1840756133 JQXOMQBKOHOSIO-QFIPXVFZSA-N 446.456 0.170 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1841054575 QTJCJQPODICOIW-WAYWQWQTSA-N 435.484 0.678 30 20 ICED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)ccc1F 1842564047 JARQTJFKQJJLSP-UHFFFAOYSA-N 436.447 0.697 30 20 ICED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137542 HRLADDFASYNATB-UHFFFAOYSA-N 447.536 0.867 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)COc2ccc(O)nn2)C3)c(C#N)c1 1845139545 DMAKHXKBPZMWLZ-UHFFFAOYSA-N 437.456 0.887 30 20 ICED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)c1ccccc1 1845809922 JTYBLWPJYVCZBL-SFHVURJKSA-N 425.485 0.930 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197020 LJFJVLXIWYGJJH-VFNWGFHPSA-N 431.489 0.925 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1=O 440257941 HBSQMLLUAPEEBE-QGZVFWFLSA-N 432.452 0.482 30 20 ICED COc1cc(NC(=O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(OC)c1 442003505 QBMZOJNRJIQULE-UHFFFAOYSA-N 449.427 0.850 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)cc1 442004681 SWIIBHFXUBKAKS-INIZCTEOSA-N 433.424 0.458 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1 446460277 XMPUYYLIUKYJAL-UHFFFAOYSA-N 445.501 0.887 30 20 ICED Cc1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1S(N)(=O)=O 446988731 ZYUZGTKTUPWIBI-UHFFFAOYSA-N 431.522 0.588 30 20 ICED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 469477604 IELGAWSGBWKNAU-INIZCTEOSA-N 433.538 0.315 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 475615853 LSTJKJRLQBAZIY-UHFFFAOYSA-N 425.493 0.939 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 479817560 RIPXNWMLXRQUNA-CYBMUJFWSA-N 436.515 0.231 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 480113892 XPUYPYFXYWQMQR-HNNXBMFYSA-N 427.486 0.605 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CC(C)C 480214219 NGULMWXTSOFVGM-UHFFFAOYSA-N 443.525 0.603 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480934114 WEJFLYAMGNPMNG-UHFFFAOYSA-N 428.445 0.351 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)nc2)CC1 489010996 KKYBEZZHSZFEMC-KRWDZBQOSA-N 428.518 0.942 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3(N4CCCC4)CCOCC3)n2)cc1 491390602 WTIMSQCREJSACI-UHFFFAOYSA-N 437.504 0.898 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 505993375 WKWKIFCDTJMPEY-CQSZACIVSA-N 435.912 0.836 30 20 ICED CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC#CCO 510065069 HITQLDTVSQPRNU-CQSZACIVSA-N 435.365 0.961 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccc3)c2=O)cn1 522384115 IYCPHOSJBVMZMP-UHFFFAOYSA-N 437.525 0.771 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 526038033 BTSHYQIDCIOLOG-UHFFFAOYSA-N 428.470 0.812 30 20 ICED N#CC(C(=O)c1cccc([N+](=O)[O-])c1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 540467965 ZUJBHVMOARFNAE-UHFFFAOYSA-N 440.462 0.751 30 20 ICED CCOC(=O)c1cnn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C#N 545388322 NVUCKWYMQHRQBI-UHFFFAOYSA-N 449.464 0.604 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCOC[C@H]3CCCO3)C2=O)cc1 550164475 FSMVPDMAXBHBQT-MOPGFXCFSA-N 428.489 0.872 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2=O)cc1 554459913 WLFJGVGOQLRPSJ-IBGZPJMESA-N 433.468 0.920 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1OC 555063687 YIBDVISLAAQREI-OAQYLSRUSA-N 429.477 1.171 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 556269750 RHGREPFELNFOKH-UHFFFAOYSA-N 449.577 0.380 30 20 ICED COCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C 558039956 AJHHLAUDNFYDMN-AEFFLSMTSA-N 431.512 0.961 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 561237095 AXIBDPZFTDVDOD-BBEJJTJUSA-N 433.490 0.204 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)n(C)n1 565973661 PYVZIPKZLLLIRJ-INIZCTEOSA-N 435.488 0.429 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 574237756 VFWWZEUOTIMKII-OAHLLOKOSA-N 435.550 0.141 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 577892082 BIVFHQCFWAFFOS-GOSISDBHSA-N 425.489 0.151 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nc1 584727489 FKWOVRQSZKZYLH-INIZCTEOSA-N 436.476 0.304 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 603796099 MHUGXCVUVLIBJU-UHFFFAOYSA-N 446.598 0.579 30 20 ICED N#Cc1cccc(OC2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 609195044 PSQNFLACVFAGPE-IBGZPJMESA-N 446.573 0.733 30 20 ICED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(OC(F)(F)F)cc1 610427050 MKOLRYCCROOOES-NSHDSACASA-N 446.363 0.936 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 610561704 BOJZVGDXXYZSJW-UHFFFAOYSA-N 433.450 0.958 30 20 ICED CCOC(=O)c1c(NC(=O)NCC(C)(C)NS(C)(=O)=O)c(C#N)cn1CCOC 614217078 QLMOAXRPJSCYEN-UHFFFAOYSA-N 429.499 0.632 30 20 ICED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1 615635146 QVTMPLJIIQXCML-OAQYLSRUSA-N 427.436 0.903 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ccncc4)c3)C2=O)cc1 617091887 OUXSGQARPJQLQI-IBGZPJMESA-N 429.440 0.995 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cscn3)c2=O)c1 726582625 OSIGKIYTNWIRTF-UHFFFAOYSA-N 448.529 0.699 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 728531634 MFGPSQSTEHWTSO-UHFFFAOYSA-N 449.305 0.068 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731811060 JUBCUYGOVUFYPG-GFCCVEGCSA-N 432.462 0.362 30 20 ICED C=CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn(C)c2)c1=O 732795458 ILJAXQUPSLTWRN-UHFFFAOYSA-N 437.447 0.886 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 733148738 JZRKCKCQHYDMOC-RTBURBONSA-N 446.548 0.252 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734435106 YQAISKSFHXVJLL-UGKGYDQZSA-N 426.517 0.498 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CC1 741095315 ABPDJMSIAAFRFH-UHFFFAOYSA-N 446.529 0.362 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 743942113 AWODEVQFMLKBIJ-QIDKZVQTSA-N 445.545 0.911 30 20 ICED C#CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 743970331 ZAHAGZHTBRWINP-OAHLLOKOSA-N 435.502 0.728 30 20 ICED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 744410519 LIHJZYHWFPTBSZ-UHFFFAOYSA-N 433.530 0.495 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 749667409 RMSZFKQRQZFCPD-UHFFFAOYSA-N 429.477 0.337 30 20 ICED C#CCNC(=O)c1ccccc1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 754300065 TVRFZJNSWBRBDP-IRXDYDNUSA-N 433.530 0.656 30 20 ICED COCCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 758763218 UNTISKLVVUUJIQ-OWCLPIDISA-N 444.554 0.981 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 761033140 RSSBDNWPBDDNGR-QGZVFWFLSA-N 449.577 0.581 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)C)c3)c(=O)n2CC(N)=O)cc1 764997585 KCXNMHCJBZVYSP-UHFFFAOYSA-N 435.509 0.867 30 20 ICED COC(=O)c1cn(CCOC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 774581990 XUVXYMRBQAVTRZ-AWEZNQCLSA-N 449.489 0.761 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CCCC#N)c2)C[C@H](C)O1 776118777 VMEVYPXBKJVRKJ-KBPBESRZSA-N 429.520 0.848 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCOC 777941976 SYGTXXGCHFRCCM-UHFFFAOYSA-N 432.433 0.409 30 20 ICED C[C@H](CC(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 786489557 KNSIQJQBBMVWAG-ZIAGYGMSSA-N 443.547 0.719 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)n(C)c2n(C)c1=O 789490591 CPNLAZNCNBLCRR-AWEZNQCLSA-N 427.848 0.868 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 789797810 UWOMGHGAFOVHPR-LORYXUCWSA-N 447.517 0.177 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 793819046 GANBQRTUUPSDRB-YRVVQQKDSA-N 449.508 0.477 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 799768787 QUFSZQBLUSSXPJ-UHFFFAOYSA-N 428.555 0.083 30 20 ICED C[C@@H](C#N)OCCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 801816843 UFABNZGLFWOSPZ-LBPRGKRZSA-N 426.451 0.930 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)n1cnc(C#N)n1 809124493 IKVVUGKHWHEPQW-SSDOTTSWSA-N 427.215 0.989 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)CC1 842311936 ZKTKGMLBHIKSES-GOSISDBHSA-N 435.594 0.846 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 849120126 UKQARBURGMHVFN-IBGZPJMESA-N 438.506 0.863 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 914819206 NPOZWVRMEPXHRI-DZGCQCFKSA-N 433.490 0.385 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)c3cccnc3)CC2)cc1 916183857 ZLEZNOUXYOJMGK-UHFFFAOYSA-N 434.499 0.859 30 20 ICED N#C[C@@H](C(=O)CCCN1C(=O)CCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012798 DQRUSUYKOQCZGA-KRWDZBQOSA-N 441.444 0.881 30 20 ICED N#C[C@@H](C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917014109 SVRDSZSKLFTMDA-YOEHRIQHSA-N 434.474 0.777 30 20 ICED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918420638 JDJFXPVKLKWQFH-PGMHBOJBSA-N 437.522 0.375 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 918798986 YVOWHGWBGSLHRG-MLGOLLRUSA-N 431.898 0.673 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1Br 1211369065 VZMGBPJQFBAGEC-SECBINFHSA-N 426.289 0.901 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1298881890 MPAMFBKMCJWVAV-HXUWFJFHSA-N 448.549 0.276 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1299303074 PLUTVKIUAQOKDJ-HNNXBMFYSA-N 431.478 0.007 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1321048704 MRFOIVZGTYDCME-JKSUJKDBSA-N 436.513 0.525 30 20 ICED C=CCN(C(=O)/C=C(/C)C(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1347176730 OOVCTNMFVPVDFW-FBCVODPVSA-N 444.575 0.336 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1359076860 NRBWJWXLRHFEGV-LLVKDONJSA-N 449.375 0.902 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1510292215 XTDBGUKWTJNENL-MOPGFXCFSA-N 436.538 0.194 30 20 ICED N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1620357232 SVAYYHHZAZEBNG-IBGZPJMESA-N 436.538 0.194 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1648572081 LOVODXCQVKECST-UHFFFAOYSA-N 437.294 0.897 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1664167534 JOBIPRGVOMNZPA-UHFFFAOYSA-N 428.580 0.724 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1748292392 KXQPJXTVCQYUHP-KRWDZBQOSA-N 445.549 0.671 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778786662 HRZAPKDXHVSNFR-UWJYYQICSA-N 430.461 0.261 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1779396454 HXOGRMUDWYCLCX-CSODHUTKSA-N 433.505 0.307 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1780175861 NHUZGJPUCMWVLS-FGZHOGPDSA-N 445.472 0.626 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1780349770 GXTNUMASDFHDSP-KJXAQDMKSA-N 442.516 0.336 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)c(C(F)(F)F)n1 1781317390 MLDQCOIPTNFCJZ-GOSISDBHSA-N 442.394 0.424 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cccc1=O 1782194333 HPXUVXPEYZNRRK-HSZRJFAPSA-N 446.467 0.891 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1783199213 QKGDMEMJMBCHAZ-ACJLOTCBSA-N 433.452 0.871 30 20 ICED C#CC(=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 1783503070 FYXDHWCSROGJIN-WBYLCXCBSA-N 433.505 0.331 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 1784964302 CGJJVTNPYFJINO-JOTVOLILSA-N 445.560 0.796 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCNC(=O)c4ccc[nH]4)[C@H]3C2)c1 1785248639 GDIPAYKUFXZDSE-BXWFABGCSA-N 438.488 0.628 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785520172 ZEWSYPBRKMQHNB-HJWJTTGWSA-N 430.505 0.347 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]32)CC1 1788245222 BZDYTSKKGGOJGO-JPLJXNOCSA-N 440.610 0.085 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788488407 WDRJTYPVTWNHNT-VIXHQSIBSA-N 426.583 0.407 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788572328 AMAYABNLILHERH-UOVPBQLFSA-N 433.505 0.562 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788600987 QMNBIYAPVONKPG-DFLGDTDSSA-N 449.552 0.967 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789952820 UEKHVWWCYNBEOF-XAJHFOFHSA-N 446.570 0.095 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H]5CNC(=O)C5)C[C@@H]43)c2c1 1790330810 ZHBDAXLOAHTFNU-KPEUIFRASA-N 436.472 0.164 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)c1ccc(O)cc1 1791335002 LUXNIIJNRWUGIR-ZULIPRJHSA-N 442.516 0.537 30 20 ICED O=C(COc1ccc(O)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1792779761 NPTCDGACFVTREX-IFPBRKCUSA-N 430.505 0.832 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1794244500 HMMQLYSOQJFRPJ-LVQVYYBASA-N 429.498 0.823 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C1CC1 1796704659 ZTPFXEPRNWFDML-GRHUKYIQSA-N 431.518 0.477 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797658284 VRVZJONQXQCRNP-LVQVYYBASA-N 448.483 0.861 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c2c1CCC2 1797812511 UXCDCSSRKXRETF-SJSYYZABSA-N 445.520 0.641 30 20 ICED 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)c1)C2 1802125449 YZHIHNIHQDIMLH-MHORFTMASA-N 445.520 0.540 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803564203 QVAOIPTZVVIPKF-SIXWZSSISA-N 429.477 0.230 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC[C@@H](N)C(N)=O)C3)CC2)cc1 1809816663 UYNMZBUQOMNXGE-LJQANCHMSA-N 425.533 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)CC)n[nH]1 1815172123 ZBALUBWWQYYJCE-WHLNPGIBSA-N 437.522 0.695 30 20 ICED NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819843934 PGUROMKKXYATRT-ZIAGYGMSSA-N 447.561 0.347 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1822922539 STBFRYODVMOVNT-CQSZACIVSA-N 436.534 0.897 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826030639 BDDMYJGTVOEPND-OLUVUFQESA-N 436.563 0.844 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827586463 LNBLCYDBQJIMHP-IPMKNSEASA-N 449.596 0.809 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989633 LBFLRNCXOFVYFY-OLZOCXBDSA-N 445.501 0.364 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1828030184 PAAPNXQGYHAIKF-LBPRGKRZSA-N 438.469 0.882 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1829769483 VCGWSLBQCLTBFA-ZVYDBLGCSA-N 436.509 0.102 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1831219361 WPMVNKLKSCYPRY-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1831414317 ULTAJIZJGDFCCR-FXAWDEMLSA-N 430.567 0.540 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831438773 WFDGTMFMHJKXHZ-ZHRRBRCNSA-N 436.480 0.979 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831491166 YIUWGURYQYRMJC-OXJNMPFZSA-N 433.534 0.754 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419681 NUJOSHTYINIAAK-TZIWHRDSSA-N 441.594 0.800 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491102 GIOLHZMASWRRRZ-NFBKMPQASA-N 426.469 0.696 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1833476943 FPWSHNXVWNBLHN-OAHLLOKOSA-N 427.567 0.967 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833584174 HKYPYLLALIRAPF-QGZVFWFLSA-N 428.533 0.609 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC)n1)CCO2 1833768768 PJKYABICPHMVQW-JOCHJYFZSA-N 447.488 0.670 30 20 ICED Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834066897 UBGHBKQCBKNCKF-XZEIMLRBSA-N 433.509 0.833 30 20 ICED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1834407060 WNPXECFKPGSFGX-MHRHTVJOSA-N 429.477 0.685 30 20 ICED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834874666 BXSALSDXVJITHE-QFIPXVFZSA-N 429.473 0.763 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100389 QLKHAJZKFFMXII-CHJDUVSTSA-N 432.542 0.653 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359106 XKBSWLVGCIHATC-KSFYIVLOSA-N 446.479 0.704 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836214190 XVKMIPFJEAOEPO-VGSWGCGISA-N 438.488 0.675 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837314363 PPXSRUBDEVKZOU-PXNSSMCTSA-N 428.551 0.646 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1837395259 VJCWSRXRYGOXGT-VGSWGCGISA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1837403582 NWNMFEQKHIYCJS-YDHSSHFGSA-N 439.597 0.994 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837493362 AQTZLZZOGJKICK-QHCPKHFHSA-N 444.532 0.118 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524329 FYCBTSDZKQQSFW-DUGKDEJRSA-N 436.465 0.582 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cncn1 1837567246 AAMXDNLMXKSUGX-KSXMTOLSSA-N 430.465 0.008 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ccn1 1837938860 XDXABZYVDZYUAG-REWVYZQPSA-N 446.504 0.989 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581749 MSFWTRGVLWVOBP-UGKGYDQZSA-N 430.505 0.635 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)c1 1838888393 GJIWVSIOPNCEEY-QFIPXVFZSA-N 440.456 0.984 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839227562 UBVAVUUAGPJUHZ-HRAATJIYSA-N 444.492 0.600 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCOC5)C4)C3)c2c1 1839489516 ZTQNFSXDOHKGCM-KSFYIVLOSA-N 439.472 0.541 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512670 JCCUTGJMYGVJLT-HSZRJFAPSA-N 436.468 0.819 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649362 LWQKYTZKDNZPGC-AZUAARDMSA-N 438.550 0.526 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1839811956 YTRHGUHDYIVODE-DBHNTLKXSA-N 433.505 0.474 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1840040941 HCMFSJSAZWBXCY-NRFANRHFSA-N 445.428 0.072 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487807 KXSZIUWTVXPREZ-FLWKIERCSA-N 431.493 0.747 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1840713268 JMPAVDRADXBMDF-QUZZAMIASA-N 440.500 0.662 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956769 PUFSPFXYMWMYBT-AUUYWEPGSA-N 443.566 0.818 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(C)C(=O)CC2)C1 1841865224 LPOWBEMZPKUNML-OAHLLOKOSA-N 445.520 0.715 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cc(=O)n5[nH]cnc5n3)C4)c2c1 1845581512 XXBSDJFAYKWQBI-UHFFFAOYSA-N 443.427 0.296 30 20 ICED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)COc4ccccc4C#N)C3)CC2)CC1 1846979699 HMSYOSXTEVMRCD-UHFFFAOYSA-N 437.544 0.920 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 22697711 GIINCMDMFYMPGX-UHFFFAOYSA-N 434.562 0.921 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)C[C@H](C)O1 30592580 TXQMVQYIDRANHX-ROUUACIJSA-N 441.598 0.643 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 410414136 QDMWOOHTVINRCM-UHFFFAOYSA-N 448.473 0.593 30 20 ICED Cc1ncc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1C#N 427285111 SKLFXVYEMNJLAF-UHFFFAOYSA-N 442.457 0.555 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCCC4)c(=O)n2C)CC1 427312065 CYPNPGQNBVVYNY-UHFFFAOYSA-N 436.581 0.993 30 20 ICED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 440132680 LSAALKLTEZFTIO-NRFANRHFSA-N 440.460 0.896 30 20 ICED COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 447195318 WLSAHOHNZSOTPX-RDJZCZTQSA-N 425.507 0.283 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 462096575 KAELNTVESSQJMX-AWEZNQCLSA-N 446.514 1.465 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 479875088 PNZBDRGRWHKPIB-QGZVFWFLSA-N 449.577 0.799 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2ccccn2)c1=O 489021002 TVIVHXSQTMIAAI-HNNXBMFYSA-N 435.509 0.390 30 20 ICED Cc1ncc(S(=O)(=O)NCCCNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489029864 VBIVFEHOJTVMSY-UHFFFAOYSA-N 434.503 0.484 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CCNS(=O)(=O)c3cccnc3)C2=O)cc1 489271547 SVZAAIYTWXXKSQ-SFHVURJKSA-N 427.486 0.539 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 506734017 UARJEHUCWLXKMI-CZUORRHYSA-N 437.522 0.767 30 20 ICED C=CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508845695 OXMXELIJFSDIFM-CQSZACIVSA-N 436.494 0.518 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508939278 RXUHWVBKMOZBNV-MRXNPFEDSA-N 439.586 0.209 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1=O 515708451 LGNICVGEDTUGIF-MOPGFXCFSA-N 430.574 0.966 30 20 ICED C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516435143 IEEHMKJQSZATFP-ZDUSSCGKSA-N 447.546 0.893 30 20 ICED C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 520926091 MSFNKRWWAPEKPU-AWEZNQCLSA-N 448.487 0.941 30 20 ICED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCOCC1 524244611 JWBLJJDHIVTUHB-UHFFFAOYSA-N 434.474 0.171 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 531841184 ONQRARDPQXRZBG-CQSZACIVSA-N 442.563 0.849 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 534551415 OPPSPESCNDSINO-UHFFFAOYSA-N 429.470 0.494 30 20 ICED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 554026206 CIRDTBJKAHCIIO-UHFFFAOYSA-N 433.328 0.637 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 556030113 MBUIYPTXYRFGQJ-LBPRGKRZSA-N 429.296 0.799 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n(C)c1=O 557111527 OCZIITVBEUSRSH-UHFFFAOYSA-N 440.435 0.514 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 557446337 MQVCEPUKEOTAQH-RBUKOAKNSA-N 426.521 0.361 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 561414590 JILMKQXWOTYPMO-OALUTQOASA-N 436.597 0.870 30 20 ICED Cn1c(CCC(=O)NCC2(C#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 567061648 VMPIZRFGQFMFSO-UHFFFAOYSA-N 431.518 0.947 30 20 ICED CC(C)(C#N)CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 568815025 GAXMVQMRBWLMJK-UHFFFAOYSA-N 429.568 0.393 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)nn1 571458478 FZKJOYVILHUWCI-CYBMUJFWSA-N 428.453 0.690 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2=O)n(C)n1 572196885 JFXGYCMHNRCHIK-KRWDZBQOSA-N 435.488 0.171 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)CC1 572683248 MYIMNNRLQFCHOI-IBGZPJMESA-N 442.564 0.938 30 20 ICED Cc1nn(C(C)C)c(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 582269992 CQKRGUURXJOHMJ-UHFFFAOYSA-N 432.506 0.339 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2N2CCCCC2)CC1 583372138 ICOKSMMNJPJGEP-UHFFFAOYSA-N 427.549 0.740 30 20 ICED CCCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 583893555 DZIOJFSANXKMGR-UXHICEINSA-N 425.533 0.966 30 20 ICED COc1ccc(OCCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 585693523 OFVZHOADOPUEEO-UHFFFAOYSA-N 426.477 0.453 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 590898131 WYEFQQGFOSVNGB-CYBMUJFWSA-N 428.470 0.658 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 610805248 IJKLNXIHMAKBCR-UHFFFAOYSA-N 448.531 0.957 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cn1 726961878 MELDKVZQVCYRLN-UHFFFAOYSA-N 436.497 0.162 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc(F)c(Cl)c1 732909075 XPVBENKCIOXUCI-LBPRGKRZSA-N 439.856 0.948 30 20 ICED N#C[C@H](C(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 732911061 XVKDXTYPJOTKHL-CQSZACIVSA-N 426.882 0.105 30 20 ICED CC1(C)NC(=O)N(CCOC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 733832989 UHUWBWIMFSVRFU-AWEZNQCLSA-N 427.417 0.637 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 734567114 IXMFKJLUQCNBGW-KRWDZBQOSA-N 432.458 0.301 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C1 755551182 XCQLFBXOLJCAFJ-GXTWGEPZSA-N 436.490 0.904 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755622276 WDCWDCWEIBOOPM-UHFFFAOYSA-N 429.546 0.220 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H](C#N)C1 757899085 SWPBUKHDZYAFFH-NSHDSACASA-N 435.462 0.350 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 761031751 BSECGTGVMBSXLJ-UHFFFAOYSA-N 436.868 0.965 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 771078306 OKMXUMLQHBUHOJ-UHFFFAOYSA-N 427.504 0.461 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774542954 MZBPCHRTAIEUKP-UHFFFAOYSA-N 446.532 0.577 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 779891633 LIECYZSEJBOSNV-UHFFFAOYSA-N 448.314 0.653 30 20 ICED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 790117633 BKLFUNOMRYIVEY-OAHLLOKOSA-N 429.502 0.565 30 20 ICED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 792444396 ARXAMKIDBCMCQG-HNNXBMFYSA-N 437.518 0.963 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CCCC[C@H]2O)CC1 796134912 LSCXNPZIXZQEKY-FUHWJXTLSA-N 449.529 0.876 30 20 ICED C=CCN1CC[C@H](OC(=O)/C=C(\Br)C(=O)O[C@@H]2CCN(CC=C)C2=O)C1=O 798651317 AZCYVWYPOXETAE-BFPJXGRPSA-N 441.278 0.925 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2F)c1=O 799933806 BFHVJPWDBGFBED-UHFFFAOYSA-N 431.489 0.829 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511161 GIVUKPNGZXPNLI-AWEZNQCLSA-N 434.501 0.212 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cnc(Br)n1 813203879 ACMQFRMUXDZHOH-SNVBAGLBSA-N 428.268 0.822 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)(F)F)C1=O 814707924 ACXJSOQEVUPRRU-DRPFOCBESA-N 434.490 0.925 30 20 ICED CN1CCN([C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2cccs2)CC1 884396550 GREQQHJRSYWCEJ-INIZCTEOSA-N 447.586 0.892 30 20 ICED CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278825 GCIRRYOWYTUNQT-KQWNVCNZSA-N 437.522 0.470 30 20 ICED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)Nc1ncnc2[nH]cnc12 919315189 DNLNGJUWBGRBFS-NSHDSACASA-N 428.430 0.710 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 920200719 MJMKXUKGAKLOOM-UHFFFAOYSA-N 437.518 0.915 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CC(S(=O)(=O)N3CCc4ccccc43)C2)nc1 1193563644 NTZZJFVXEOQTBU-UHFFFAOYSA-N 432.527 0.804 30 20 ICED COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301444168 YZOAVNRVXGVGCD-FQEVSTJZSA-N 448.549 0.686 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1315072790 VCSYJUKXPMVKLQ-KRWDZBQOSA-N 434.522 0.752 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccccc2C#N)C1=O 1321706264 JSJBBBHQNSWUFE-IBGZPJMESA-N 430.417 0.969 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502682302 YMJBQYRQANPCLR-QZTJIDSGSA-N 444.533 0.700 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1503290172 GHBBZCVSQYGLQA-YVGXBJCXSA-N 430.534 0.927 30 20 ICED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1503372644 WKMSMFKVCAXHAB-UHFFFAOYSA-N 433.476 0.492 30 20 ICED N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1505326571 OVHHJGDDYMJCEO-UHFFFAOYSA-N 431.522 0.805 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1516965924 OCMZBBFWOUGFQJ-MRXNPFEDSA-N 438.492 0.421 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1547919898 RQQDFJMRXCIRSS-KNQAVFIVSA-N 447.584 0.687 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1557008352 XORNYNLJFGBJOQ-CQSZACIVSA-N 440.547 0.252 30 20 ICED CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1569262653 JDDUNWZZWVRWSY-ZDUSSCGKSA-N 440.522 0.459 30 20 ICED C=C(Br)Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690230089 QTTXNOZMNMUORF-UHFFFAOYSA-N 439.318 0.216 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1724012513 XWYMTSZMHIHTRM-WOJBJXKFSA-N 430.534 0.944 30 20 ICED CC(C)(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750485190 MFLGRHFNSPWEKV-KRWDZBQOSA-N 442.568 0.995 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779064906 JVOKTMOUZQWNLA-HSZRJFAPSA-N 437.500 0.871 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779946976 DBWCEQCSJLGGCA-XOBRGWDASA-N 432.502 0.791 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780028065 KIZPETLEEPUZFD-OAQYLSRUSA-N 431.445 0.763 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)cc1 1780410182 LDNCUJCJLMTZLR-UNWVZKJWSA-N 442.516 0.336 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701362 DWGZDIHJGDHLLI-JTSKRJEESA-N 444.488 0.845 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781053019 BJJBPAFFTZJDQH-ZKBQTDDLSA-N 442.516 0.929 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781188061 PCKJTRXYKCRBMZ-VFNWGFHPSA-N 437.493 0.296 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1781689037 HRBLMKIZQQYVSX-GSHUGGBRSA-N 435.521 0.769 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567769 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ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198068 XRDQKPWFWRLONY-ZOBUZTSGSA-N 443.529 0.602 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789508486 XPTSNFCSXHRXKV-FCLVOEFKSA-N 448.545 0.479 30 20 ICED Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789874394 GLOFCWJYEHGPEX-ULQDDVLXSA-N 427.457 0.310 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 1789890140 GSAJUSBHGXAVBW-ULQDDVLXSA-N 446.504 0.489 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1789955934 SVIOVSGXUVHMES-XSWJXKHESA-N 446.508 0.021 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749108 HQXQMLGOYSHEAQ-LUKYLMHMSA-N 442.534 0.053 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791144820 LOZDLSSBIWZYCJ-FHWLQOOXSA-N 428.526 0.238 30 20 ICED 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ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835539390 JWIHWAMDAJJTCE-LJQANCHMSA-N 447.469 0.160 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1835643099 XIZVQPDVVVZBPL-SJLPKXTDSA-N 444.598 0.577 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837955325 MLIOMUOZEBLVRO-XMSQKQJNSA-N 433.505 0.733 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2)c1cccs1 1838065859 GUXORNNGYWXHKD-YADGQWAMSA-N 446.485 0.686 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838339037 AEOSFRJYCXTQRW-QHCPKHFHSA-N 436.468 0.884 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732564 VUVNPBAAOSTGSK-IERDGZPVSA-N 426.477 0.489 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906229 AFQKLAVIYXVURL-QFIPXVFZSA-N 439.472 0.684 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1)CCO2 1838937072 OGEJJQXJOGBFAW-IBGZPJMESA-N 440.374 0.863 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1839185404 YLRREGOUHBURLG-KKSFZXQISA-N 440.541 0.261 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839223041 JQZHVFLJIBANGT-UWJYYQICSA-N 435.525 0.908 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839226223 JGOCICJCKXTNTK-KSFYIVLOSA-N 446.504 0.656 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CCO3)C2)CC1 1839413670 MVSDKRPWKDYBMW-FQEVSTJZSA-N 430.417 0.674 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839581015 ADLSJULJFGMPQK-HSZRJFAPSA-N 446.548 0.962 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839842776 GHIBITSSJNIFGJ-IVZQSRNASA-N 443.504 0.613 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1)C(F)(F)F 1839892668 ALHUOTXZOFQLLV-IUVQAAGXSA-N 431.455 0.902 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1840043660 NBNFVYLJLHKYCZ-JOCHJYFZSA-N 438.440 0.030 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840158765 QPGXAFFJCPPXIY-MGPUTAFESA-N 439.603 0.881 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c(C)n2n1 1840160495 IWSILSHWOOTTPE-IFXJQAMLSA-N 434.522 0.129 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1840368220 BGFPAYKVGXSXBL-XWRADEMYSA-N 433.509 0.454 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)C 1840812185 FANDDPXLSCXTDJ-VGOFRKELSA-N 434.537 0.687 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(=O)O 1840838326 ZUCGRKDNEQJHCF-WCDGTKDBSA-N 439.465 0.003 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843353946 UMMUGYPGAKLGMO-AWEZNQCLSA-N 445.476 0.621 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(OC)cc1C#N 1847786180 LUHKWFIODMVBKD-JVPBZIDWSA-N 448.545 0.639 30 20 ICED COCCN1C(=O)/C(=C(/Nc2sccc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 9768766 LVTXUILORWXMEQ-SPQRFVMMSA-N 426.451 0.687 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)C1=O 410258106 DKHVADMHLPBXKX-UHFFFAOYSA-N 430.396 0.720 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410409524 XMEZULOLYPQVLY-WBVHZDCISA-N 426.514 0.769 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@@H]1CCOC1 441945521 HCDQPEKTEKEGAG-SFHVURJKSA-N 439.537 0.898 30 20 ICED N#C[C@]1(NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@]3(C#N)CCOC3)N2Cc2ccccc2)CCOC1 464449588 TUFGZSPSKPVUCH-IYRWYFENSA-N 437.500 0.617 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 478255654 RVCOMWWWKXLFMN-CYBMUJFWSA-N 437.499 0.630 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478858377 VGIWUGPIFSYAHK-CQSZACIVSA-N 432.571 0.895 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 481587023 MQLIGIXUXGQHRD-NSHDSACASA-N 449.279 0.803 30 20 ICED C=CCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 483513408 ZWLMMXVWVIPDFI-OAHLLOKOSA-N 431.536 0.818 30 20 ICED CCO[C@H]1COCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484637795 LMWVVEQYFDMBNF-ROUUACIJSA-N 436.534 0.175 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505667048 YUOOSEZZRYCVSZ-UHFFFAOYSA-N 429.546 0.504 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)C1 508313895 BDJFDXBPWNMLPQ-CQSZACIVSA-N 445.505 0.325 30 20 ICED C=CCN(C(=O)CCCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 520643170 XTIRHZCIXHZHPK-IRXDYDNUSA-N 446.591 0.560 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 522159621 PLBIEHIPDDROCV-UHFFFAOYSA-N 431.430 0.161 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 523033644 FKWWXEMAUJYLTM-INIZCTEOSA-N 425.449 0.588 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CC#N)CC#N)CC2)c1 523355132 HHQKOBUEVQPPEJ-UHFFFAOYSA-N 431.518 0.792 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 524281446 XQOZAUKXLBHBRK-UHFFFAOYSA-N 436.440 0.026 30 20 ICED CN(C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1)S(C)(=O)=O 537248904 NLPTZGPEQVVNMY-QGZVFWFLSA-N 439.607 0.813 30 20 ICED C=CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 539714485 ABDOTXLVZRFHTG-HNNXBMFYSA-N 435.492 0.659 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CC(N)=O 547434118 AQNHHCVPINXRBY-CYBMUJFWSA-N 437.525 0.883 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(C(=O)N3CCNC(=O)C3)cc1)CC2 550197441 QYAKBDQTLCRSTL-UHFFFAOYSA-N 431.452 0.336 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 561955819 YDDCSBNVVYEMDM-UHFFFAOYSA-N 441.488 0.947 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 565122924 OEZVOCYBXBJEJD-LJQANCHMSA-N 444.532 0.225 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 567960261 ASQRURBXVPNUPR-OAHLLOKOSA-N 434.518 0.523 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 569405216 XFVPKWSVVXXEAW-VSKRKVRLSA-N 439.560 0.717 30 20 ICED COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 569760326 ZFEIOVZZGHBXAC-OAHLLOKOSA-N 440.504 0.841 30 20 ICED N#Cc1cncc(S(=O)(=O)NCCN(C2CC2)S(=O)(=O)c2cncc(C#N)c2)c1 573169637 MRISSGCNGJRNIR-UHFFFAOYSA-N 432.487 0.352 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1=O 578043362 ZYSRPBYUBWEHME-QFBILLFUSA-N 439.516 0.491 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 578455925 DTWBCYVZVBMIOX-WOJBJXKFSA-N 444.532 0.430 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCOC3)c2=O)s1 611001299 WMSOHHRCTVUDEY-CQSZACIVSA-N 447.582 0.836 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 614971890 LOYRDGUYKPCEBH-UHFFFAOYSA-N 443.529 0.995 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cc1 642962325 JQDHGKZWNQUKDN-OAHLLOKOSA-N 435.502 0.992 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)ccc1C 683623804 RMKAGGUGCSWIBY-UHFFFAOYSA-N 425.510 0.975 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccsc2)c1=O 684534542 AOTBTDXZSJXTLM-AWEZNQCLSA-N 431.539 0.558 30 20 ICED CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400589 KJSOLYFOFSEUFG-HNNXBMFYSA-N 431.518 0.910 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 728570633 INSCKDKISOUJJZ-UHFFFAOYSA-N 426.546 0.644 30 20 ICED N#CCOc1ccc(CC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 732364818 YWNYJWNHXUANRN-KRWDZBQOSA-N 435.502 0.006 30 20 ICED CC1CCC(NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 732468335 MCDLMCVEZOUGIL-MRCUWXFGSA-N 446.552 0.535 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1-c1cnn(CC)c1 736585603 VARAVDKVVHQMBU-UHFFFAOYSA-N 440.554 0.994 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n(CCC#N)n1 746390625 HMEGFCBRNLMBLV-UHFFFAOYSA-N 433.513 0.713 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 747279310 VLZSYQVKDUQWHL-UHFFFAOYSA-N 444.916 0.883 30 20 ICED O=C(Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1)NCCO 749405391 VORFZUSISAIMGX-UHFFFAOYSA-N 430.486 0.405 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 763215011 FQBDYXQJBHDLNN-MSUUIHNZSA-N 432.458 0.119 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccn3)c2=O)c1 763461037 QGYHXCPIDGCOKN-UHFFFAOYSA-N 449.536 0.248 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCCO1 763466538 REPLJTAIAWSMJT-KRWDZBQOSA-N 444.557 0.473 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1C 766248919 QMZRTRDNYOWARX-WOJBJXKFSA-N 434.562 0.326 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncs2)c1=O 767882356 FRBQXPLNPMRDKF-UHFFFAOYSA-N 436.584 0.481 30 20 ICED CCS(=O)(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 768343506 MYUQDCTXCZAQHJ-ZDUSSCGKSA-N 427.548 0.929 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782919977 YIQDRPHQRHMCER-UHFFFAOYSA-N 445.928 0.926 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 783480160 PIKXVRLPGUZCCE-CQSZACIVSA-N 439.921 0.764 30 20 ICED COCCNCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785176815 QMKMZRDELAFKFY-QJOMJCCJSA-N 439.538 0.180 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 792144683 ZOBLWEQPKHDJII-UHFFFAOYSA-N 435.569 0.213 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(-n2ccc(C(=O)O)n2)c1 794765247 MFSBZIMPHCPAGN-UHFFFAOYSA-N 439.453 0.925 30 20 ICED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Br)c1 794922439 JGZDFJOBQZGHME-UHFFFAOYSA-N 431.268 0.168 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275262 IFASTBXPXMNCIV-YVEFUNNKSA-N 426.451 0.859 30 20 ICED C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC 798118952 KXSRXYOEHGSGEN-FNORWQNLSA-N 443.500 0.803 30 20 ICED CCn1c(CCC(=O)OCC(=O)NCCC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 800538264 NCJZYLBMYFJHIV-UHFFFAOYSA-N 435.506 0.812 30 20 ICED NC(=O)NC(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 802328421 OTSOXUCDVNADQW-UHFFFAOYSA-N 429.458 0.953 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 803415102 JJWVUIDRGFSVSQ-HNNXBMFYSA-N 427.548 0.342 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)C1 807546292 RYOHGGHJWHLGBJ-MRXNPFEDSA-N 431.497 0.499 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1 820174222 HRWMXYORTIGTAJ-SFHVURJKSA-N 446.485 0.843 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916737944 FNIHHKANJGJANC-UHFFFAOYSA-N 429.483 0.852 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1301809785 QLQZWNWJPVRUIF-HBIPHATFSA-N 443.595 0.848 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1=O 1301892158 ULHBUXSKPZOSMD-UHFFFAOYSA-N 435.492 0.781 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1303822979 IRKRCUYWKKZDFS-OAHLLOKOSA-N 439.586 0.739 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314133485 JDFSTXDXYJXXQW-VGOFRKELSA-N 445.568 0.879 30 20 ICED Cn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1314902615 TXWQZCSRMZLAPA-MRXNPFEDSA-N 427.490 0.859 30 20 ICED COCCn1cnc2c1c(=O)n(C[C@@H](O)COc1ccc(C#N)cc1)c(=O)n2CC(C)C 1317765254 BRKITICHLMPNKZ-QGZVFWFLSA-N 441.488 0.974 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCO[C@@H](C#N)C1 1318328076 SUIZNGVZRZDMOE-YNUCIAJGSA-N 441.531 0.131 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1510065253 SXWQCEMRWBPPQU-KEYYUXOJSA-N 429.522 0.003 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1512393605 KGJWREZNJHQPTF-MRXNPFEDSA-N 440.504 0.937 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1692787883 YJIKXTAFWMSKOK-WMLDXEAASA-N 443.549 0.441 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1727193008 KACOULMDFDUBRA-UHFFFAOYSA-N 425.559 0.876 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1760300433 XJPOHAFDIDSLAS-UHFFFAOYSA-N 426.319 0.884 30 20 ICED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1763499824 TZRYKIHEGFPVLB-FXAWDEMLSA-N 431.518 0.982 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767144918 JIUREQVTDFHLBJ-ROUUACIJSA-N 425.541 0.737 30 20 ICED Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)nc2ccccc21 1777889712 FXYMNEBIKIFJIO-QHCPKHFHSA-N 446.467 0.891 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779060978 LGURPYIPJQWITN-NRFANRHFSA-N 445.476 0.320 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CCC1 1779213621 MBTNVDGRMANIRP-ZDUIWUOISA-N 426.473 0.976 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)cc1 1779416090 RARBMQBICDTUKJ-UEVCKROQSA-N 442.516 0.336 30 20 ICED CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1780425685 AWKJTIJJMVRXSG-XOWGOQOESA-N 430.509 0.791 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1781101691 SIGVPRZJIXDHNG-OXQOHEQNSA-N 431.401 0.516 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1781269744 KIKVVHSSGGNXRT-IXFSTUDKSA-N 447.532 0.727 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781425279 DQZQYKFACVPNJO-KKSFZXQISA-N 446.508 0.025 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCn5ccnn5)CCO4)C3)c2c1 1782198917 ZJROQAZLFCAZPA-OAQYLSRUSA-N 434.460 0.560 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783197983 ZGQPFZPZZRQYKT-IBGZPJMESA-N 433.415 0.744 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784198187 YVSGIKCYSLIILQ-CWVYHPPDSA-N 445.582 0.560 30 20 ICED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1785421762 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0.264 30 20 ICED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)no1 1797742307 SFWUIJKVBPRULH-NLMZJMMYSA-N 446.508 0.373 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797966668 PIRUSLPZOZHFFD-MUJYYYPQSA-N 441.536 0.550 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12)C(F)(F)F 1798498177 GMQHDBMGSOZVLQ-DRXBFXEBSA-N 437.378 0.411 30 20 ICED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992720 SCKKBGSZKUSQQL-VPTLXERWSA-N 440.456 0.975 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N(C)C(C)=O)[C@@H]1c1cccnc1 1802483656 QOFIQOYCLUBNCS-SJKAVIKISA-N 441.532 0.813 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810864656 LZTALHNLTAYWFN-SAHWJRBASA-N 449.596 0.973 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814796884 YWSCIUOJXNYCPS-CABCVRRESA-N 440.529 0.762 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)CC2)c1 1824972492 WCFQJOYOORMIDW-KRWDZBQOSA-N 426.477 0.671 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1826894286 KZDWXVGZLFDWMH-PZJWPPBQSA-N 449.596 0.539 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829260527 RZOVZAFXNMEKQW-JTSKRJEESA-N 440.456 0.180 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829519485 HSARVSIMLDZKNW-OJJSKHJLSA-N 447.879 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1829764449 LYMQTHVUXWUNQA-LSYMRDCYSA-N 442.516 0.329 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829873767 UQFVZAUXFJOJLA-XUYQLWACSA-N 438.525 0.068 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831228825 MIZRPANCJWDVRI-VGSWGCGISA-N 429.473 0.977 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831340610 YKIAJFSWQLGYMC-HXUWFJFHSA-N 435.502 0.063 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831485472 VJNRFJWVWPHXOS-APWZRJJASA-N 442.513 0.807 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831687385 OIHOETNNYGWSLA-JXFKEZNVSA-N 429.583 0.560 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832375469 SBOSLBODRUANOY-JTSKRJEESA-N 432.521 0.819 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749219 FPPDYSAISLHHNP-IIBYNOLFSA-N 446.529 0.467 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729945 QQDKHRXUCYSBRO-OHQZHEALSA-N 448.612 0.944 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836032920 SUFWBVCBFPOZOO-PGRDOPGGSA-N 435.496 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3Cc4ccccc4CN3)CCO2)C1 1836499104 UDNPVQKZZOVKBA-JLGINSKQSA-N 443.544 0.748 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1836846020 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C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610103 ISQKQJXKOQTYLC-JLHGSKIFSA-N 445.520 0.264 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579601 SUHJEJIVHCJJRE-AOMKIAJQSA-N 431.489 0.919 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838952760 ICZIQLJQFPPCHX-NRFANRHFSA-N 427.457 0.581 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105211 URGBNRPGDOGJOM-NZQKXSOJSA-N 434.581 0.272 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)ccc1F 1839187116 KNFSGCBWJJWKAM-TVTNDZMWSA-N 431.464 0.467 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839226841 FKSRUNLWHVCHMH-IIBYNOLFSA-N 434.493 0.256 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1839420515 NNBNZIIDOCDQSD-JOCHJYFZSA-N 446.479 0.100 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422023 YOMCZABSICHIDI-AVRDEDQJSA-N 444.463 0.388 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518315 MOTVZPISDNFPBW-IERDGZPVSA-N 449.508 0.537 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)C2)C1 1839806157 CUTVLXHYOIHXMT-PNCHPQGNSA-N 449.548 0.969 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1839807825 GSCYPBSUMURHOS-LJQANCHMSA-N 447.289 0.800 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839967927 GDKRKLDSLSKWRK-VGSWGCGISA-N 434.464 0.699 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840028981 OSBLZMABFZEQCN-ZOCZFRKYSA-N 441.525 0.293 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)OC)CCO3)c(C#N)c1 1840211305 ZRQBWUKVEGCHJS-AOMKIAJQSA-N 431.489 0.601 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840293406 AFVAFNDZFMVVMR-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840584751 WDXHEKAYMULIMQ-ZWFYQYKBSA-N 435.521 0.118 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 25383811 FJMYVTSSCRMTHB-UHFFFAOYSA-N 447.561 0.649 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 25856177 SWRBQNHATVKWHH-HUUCEWRRSA-N 447.517 0.108 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(N(CC)S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410414390 RMPPNKOSBRPWTN-HZPDHXFCSA-N 448.615 0.445 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 434375641 WVWRRVUWTDCFTK-GOEBONIOSA-N 427.486 0.651 30 20 ICED CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460607538 PQFQXOQXRZRVAU-QGZVFWFLSA-N 437.504 1.541 30 20 ICED C=CCc1cc(CNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc(OC)c1OC 465320112 FIJDNULVDYCWKR-UHFFFAOYSA-N 429.477 0.972 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)n1 470298569 QOUMCNWTTFTKAH-UHFFFAOYSA-N 443.485 0.742 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1C 475390600 WGMWVXYQGMUUNI-FUHWJXTLSA-N 448.545 0.522 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COC)o2)c1=O 481569908 NMBAONJMSKJMGB-UHFFFAOYSA-N 431.514 0.857 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 490488985 SZIYAUMTGXDHGR-IRWQIABSSA-N 444.517 0.578 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498973063 GHGRJCPUGUYIQO-DQYPLSBCSA-N 426.926 0.314 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)c1 499601803 FMWSORVLMVYIGR-UHFFFAOYSA-N 447.499 0.557 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508840497 LICLWLNISMZMAD-DOTOQJQBSA-N 447.565 0.423 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCOC2)c1=O 512724725 GIWSGQTVARSOBY-OAHLLOKOSA-N 429.546 0.438 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(C)C)c1=O 512790031 FHRQFKWNEGQGPO-UHFFFAOYSA-N 431.587 0.861 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)N(C)C)cc1 518410430 PYBULPDPTXADQN-FQEVSTJZSA-N 437.548 0.976 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1F 527030566 NVAXUIMBAJIKMZ-AWEZNQCLSA-N 429.473 0.341 30 20 ICED C=CCCOCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 534594824 MLXVUTMAKXJMIS-HNNXBMFYSA-N 431.536 0.866 30 20 ICED CO[C@@H](C)c1noc(CN2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 537047895 WCPVRVWEWIUVOE-RBUKOAKNSA-N 447.584 0.977 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 539375440 KGDJKOGOSGBPDE-NRFANRHFSA-N 442.539 0.431 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 546594912 DGKVWYMNHAHWOJ-OAHLLOKOSA-N 434.435 1.315 30 20 ICED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 548618850 YCEVAZSDTGWAPF-MRXNPFEDSA-N 425.510 0.627 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCN(C)CC1 550380860 BNNLNDUGAZFTPV-IBGZPJMESA-N 426.565 0.854 30 20 ICED COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 552595325 UBSCDUCCTYOZJI-HNNXBMFYSA-N 439.520 0.906 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 569973275 DZEVDHOOXCAQRP-CQSZACIVSA-N 430.446 0.853 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 571546699 NHLKFFLZLRDVLX-UHFFFAOYSA-N 448.531 0.065 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1 573269485 KEYPWTBIUUQXBD-SJORKVTESA-N 434.518 0.701 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 588083657 FPYHZBLAUVGVEG-CYBMUJFWSA-N 431.447 0.928 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n(CCC#N)n1 588740778 KQOCHRIIAFPZCH-HNNXBMFYSA-N 430.490 0.623 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 610230617 NQJLFFHBCSWDML-GOSISDBHSA-N 442.563 0.895 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@](C)(C(=O)OC)C1 619835215 YUPRBKYLPUUXGT-SPYBWZPUSA-N 441.554 0.823 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732798071 WZHJMCIWTMTDIT-CQSZACIVSA-N 429.546 0.894 30 20 ICED CSc1cccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 732910202 LFVPEPDRGTZDDG-CZUORRHYSA-N 435.527 0.727 30 20 ICED COc1ccc(C)cc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910427 PHWWEIDTEZWCKS-GJZGRUSLSA-N 433.486 0.322 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 733148505 BHKXQTRXKLTQOV-LJQANCHMSA-N 427.484 0.188 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)CC1 733149587 LYPOPQVHPPCZEZ-FQEVSTJZSA-N 440.544 0.974 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sc(C)nc2C)c1=O 736581476 GJOGEDJZJAGIPC-UHFFFAOYSA-N 436.559 0.285 30 20 ICED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737305590 PIFNHWXGPFOZMC-NDWLXSOOSA-N 440.522 0.342 30 20 ICED COCCOC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743942041 WIXCUVNFONYNEA-KTNMXJNISA-N 440.522 0.606 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 746561065 RMWVUGXWRXHTGE-UHFFFAOYSA-N 432.436 0.790 30 20 ICED Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 747911576 RQFHMZKCLKPJJD-ZDUSSCGKSA-N 442.476 0.526 30 20 ICED CCn1cc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 749216525 FVSVMHVZNXWYJB-NSHDSACASA-N 425.492 0.225 30 20 ICED C#CCN1CCN(C(=O)CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 754303857 WDCKPUSLYMAGNV-UHFFFAOYSA-N 440.953 0.550 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1-n1cnnn1 755544935 HKNOTBBAUYIYDL-ZFWWWQNUSA-N 440.464 0.785 30 20 ICED CNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 761631033 SRMBOBDZIGGJDA-OQKWZONESA-N 436.538 0.395 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 761760182 SRKKMTCNXJWUMP-GOSISDBHSA-N 425.489 0.913 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 765914291 KSLHFQMBIFUYGN-AKKXKAEUSA-N 447.517 0.271 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 771402200 AYWYBDQHQDZUKU-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(-c3ccccc3)nc3ccccn23)c(=O)n(C)c1=O 771897860 SZAZJUFINZULBC-UHFFFAOYSA-N 438.469 0.711 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 775552313 FWIRYHIFXZSXPH-UHFFFAOYSA-N 448.285 0.161 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCCO1 775794249 HEAFJLKSYYAERR-ZWKOTPCHSA-N 449.529 0.061 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782482947 NBYFAMHDQQXWRQ-RYPAHKROSA-N 449.533 0.565 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)CC1 796201853 NRVVTIVWOYKJNQ-HZPDHXFCSA-N 429.543 0.083 30 20 ICED CS(=O)(=O)c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 803218013 KPFIGQUOEPGDLM-UHFFFAOYSA-N 437.455 0.061 30 20 ICED CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807361105 JBQHACFYXGNRRQ-PXLXIMEGSA-N 438.506 0.896 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807783435 MZOMMMCNPRCFDZ-YPMHNXCESA-N 427.445 0.514 30 20 ICED CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813981726 IJCDEQGUZBZGOV-ZDUSSCGKSA-N 437.503 0.751 30 20 ICED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 853705351 LDELJJJLQXESDK-UHFFFAOYSA-N 444.469 0.720 30 20 ICED N#Cc1ccc(NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 919627775 GPDZTXSUSFEFIP-ZWKOTPCHSA-N 435.502 0.708 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccnc1 1288862250 IECAHVRSAPMOHD-MAUKXSAKSA-N 444.565 0.703 30 20 ICED CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315049580 OUYAZLCOURKHKA-LSDHHAIUSA-N 425.497 0.295 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC2CCS(=O)(=O)CC2)cn1 1322999857 URQAQVJGSXWDPA-CQSZACIVSA-N 427.552 0.795 30 20 ICED CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)COC1 1360843420 HGZVGCLPQDNJGI-UHFFFAOYSA-N 446.533 0.847 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1436253272 UMGJREBWPYXZSK-NEPJUHHUSA-N 444.435 0.594 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CCO1 1521129588 LFRJKEZYMSYTQQ-CVEARBPZSA-N 436.538 0.312 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)Cn3cc(C#N)c(O)nc3=O)C2=O)c1 1566240563 LMWDOKCHDVDFNV-MRXNPFEDSA-N 427.417 0.102 30 20 ICED CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617327371 BVVBNVQUHIFWBV-MRXNPFEDSA-N 435.554 0.012 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC(=O)N1C 1693833275 MCOJUUVWZJPQBC-CRAIPNDOSA-N 426.477 0.811 30 20 ICED CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1710320613 UWGWOWBPHPAVRC-LIRRHRJNSA-N 438.529 0.929 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1 1722797791 NVCIXAKDZKEORE-KRWDZBQOSA-N 428.541 0.523 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1729352767 VDLVOBOGBODSAF-QGZVFWFLSA-N 428.518 0.966 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1746435590 MPWMGWCEGGDFMI-IEBWSBKVSA-N 449.625 0.946 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1748278517 OHRYMTNGBNTHFW-MRXNPFEDSA-N 425.493 0.957 30 20 ICED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)on1 1751973616 YYWOIQLEWGELRV-HIFRSBDPSA-N 434.526 0.410 30 20 ICED CC[S@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1766750314 KIRDERHRZLZLDI-MYGHRHJXSA-N 444.565 0.949 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829317 IFRXEPBEFICTMS-JOCHJYFZSA-N 438.488 0.266 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063986 XRNCDYYKBHSRTE-KSEXMQBYSA-N 429.517 0.373 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779099994 QRSWPFIXZHLAKQ-FBWGCAEPSA-N 432.477 0.819 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779196713 SPVWCYMUQSNOIP-QHHYFVSCSA-N 431.555 0.519 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779422115 TYURZINPQJYDRE-ZURLQVQMSA-N 436.509 0.308 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=C)CC(=O)OCC)C2 1779535325 PNSHFZIFHGEFEB-GSHUGGBRSA-N 435.521 0.700 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780061198 ZMVARXMRWBJRGR-QHCPKHFHSA-N 444.451 0.718 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1781265210 LLPKXBRMCXDFKJ-HXUWFJFHSA-N 436.440 0.735 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1781267905 AAVPMCSUVFSQKG-NRFANRHFSA-N 433.461 0.349 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2)C(F)(F)F 1783206469 MFZBENQRMNXNCY-GOSISDBHSA-N 430.471 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)c(C)c3)C[C@@H]21 1783530097 FMEUYBQUOFAROH-OIMABFAESA-N 442.516 0.850 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1784199763 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ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796426103 JGPVJFVITBFWGO-DBRALVMTSA-N 441.513 0.564 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796878858 ITDLSIQCEBZRKH-SSZWKKLZSA-N 436.534 0.936 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797713734 XMDPYFRTGDWCLO-VPMQLGLMSA-N 443.500 0.884 30 20 ICED 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)c1)C2 1797790078 QWLZETSVHJTLOF-IYWMVGAKSA-N 443.456 0.256 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl)C(=O)O 1798590132 BWZAWYQKULPNDT-HRJSJKBJSA-N 434.880 0.478 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)c([N+](=O)[O-])cc1O 1798594779 KNRRLKNDUOFJIY-DJQAVVSRSA-N 425.463 0.831 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798711175 OCDPZYZCHDVJMI-ZSBIGDGJSA-N 443.430 0.309 30 20 ICED 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0.481 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccoc1I)C2 1846195364 HJIRASRQZLVGQO-UHFFFAOYSA-N 428.182 0.789 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1847149833 FSFUTVKWWODABE-DLBZAZTESA-N 435.521 0.864 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 109064337 LORHVSJJJCVQCT-OAHLLOKOSA-N 432.454 0.497 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 409556829 JWKCLZFGCTYMAK-UHFFFAOYSA-N 448.542 0.675 30 20 ICED N#C[C@H]1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCO1 429983614 CWJWXBFIUMHALH-AAEUAGOBSA-N 448.423 0.369 30 20 ICED COCCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)C(N)=O 436131948 ZOQYVWHSFIHPGQ-AWEZNQCLSA-N 430.465 0.277 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 437064954 QLEQRKLVHCXLJC-NVXWUHKLSA-N 428.493 1.383 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c1 438310645 CKLLNJOMCOKISV-UHFFFAOYSA-N 448.505 1.352 30 20 ICED C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 438685662 BGDAQTCFRHCRKN-UONOGXRCSA-N 433.490 0.620 30 20 ICED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1C#N 441980781 OMYDZFICEKEMPP-UHFFFAOYSA-N 438.487 0.254 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 446451915 WXGAUJOAQYPONT-KRWDZBQOSA-N 434.562 0.920 30 20 ICED CC1(C)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS1(=O)=O 447476294 ZKZKACBEUZBGPX-UHFFFAOYSA-N 433.465 1.247 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CC1 466718702 OIVWLYHFLOZWMD-FCGDIQPGSA-N 430.530 0.500 30 20 ICED CC(C)(C)[C@@H](CNC(=O)CN=c1ccc(C#N)c[nH]1)NC(=O)CN=c1ccc(C#N)c[nH]1 467775900 OVGFFNZRRKTMSM-QGZVFWFLSA-N 434.504 0.235 30 20 ICED COC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474579446 RAQVWCKUQVHHCC-IBGZPJMESA-N 447.469 0.923 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479398025 SOSRVKYGOHKGJD-MRXNPFEDSA-N 442.541 0.912 30 20 ICED COCCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 482036026 GERHJIJWNYHGCD-GOEBONIOSA-N 443.547 0.277 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cs1 488618379 ODBMPZMOBOXPTI-INIZCTEOSA-N 445.526 0.962 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1(C)C 496392326 BRPNWYOCOLJPID-HXUWFJFHSA-N 426.565 0.365 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505683230 IYJAVHGGFFMNBU-OAHLLOKOSA-N 437.525 0.595 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507545157 DQVLIOCKACDXTM-AWEZNQCLSA-N 435.506 0.410 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)C1 508313894 BDJFDXBPWNMLPQ-AWEZNQCLSA-N 445.505 0.325 30 20 ICED CN(C)CCN1C[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 510367571 QXDFTUGBYMFGLO-OAHLLOKOSA-N 441.511 0.924 30 20 ICED CCN(C(=O)[C@H](C)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@@H]1CCS(=O)(=O)C1 513589445 XENRWYOAQCKRTA-GXYOHSSGSA-N 430.530 0.756 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 520691254 HCMGUYLTXWLBEU-CYBMUJFWSA-N 443.485 0.340 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 523090251 RQVNLJNEXXUCLC-HNNXBMFYSA-N 445.541 0.609 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 524281880 DZKVVNUWDBJIFQ-UHFFFAOYSA-N 436.440 0.024 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526082053 PGNXLSSVFIIZKJ-UHFFFAOYSA-N 448.907 0.749 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1-n1cnnn1 531802446 BKONPZVLGCITAS-CQSZACIVSA-N 432.448 0.308 30 20 ICED COCCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1=O 543930444 DDYBWFPJQUGXDP-UHFFFAOYSA-N 430.852 0.653 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CC2)c1C#N 550213839 PXJHUVAOFPVPSG-UHFFFAOYSA-N 446.515 0.793 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCN(C)CC1 550779836 ZIBHXXCONUTZKU-YADHBBJMSA-N 440.592 0.611 30 20 ICED CS(=O)(=O)c1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc(C(F)(F)F)c1 551201403 DJEPZCMLEJKWOE-GFCCVEGCSA-N 427.426 0.668 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)cc1 558231567 LNOSAUNASOGVIG-FGZHOGPDSA-N 439.560 0.962 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 560016788 WRDWAMLWSIBYDP-GOSISDBHSA-N 427.549 0.928 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 573413103 SHRSPZPTWVBREY-INIZCTEOSA-N 430.490 0.365 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)cn2)C[C@H](C)O1 575198329 FAJNXQHGBQGOHJ-HOTGVXAUSA-N 441.463 0.764 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 576672799 CZOOZTHEXPRSKV-CQSZACIVSA-N 427.552 0.965 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 587647207 GXIBMGOOISXXGB-SFHVURJKSA-N 436.520 0.557 30 20 ICED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 588036424 KFOMBIGVISCOFI-OALUTQOASA-N 448.479 0.904 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765550 SEMCBOXAYPSHQF-MJGOQNOKSA-N 432.484 0.960 30 20 ICED N#Cc1ccc(CN2CCCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 590831511 JPZMTNSKAWZYCI-GOSISDBHSA-N 433.534 0.079 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C 608778773 BDAZHOFYIONOGB-UHFFFAOYSA-N 444.532 0.865 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCS(=O)(=O)C1 619563365 NGBXAUDHAFIUBF-INIZCTEOSA-N 445.563 0.894 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)c1 726580965 JKZNASJVMNGTMW-HNNXBMFYSA-N 447.520 0.268 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 728531959 NVPFRKQRYPFHOG-OAQYLSRUSA-N 433.512 0.316 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 728573811 VSEXQAJLRXZGNI-UHFFFAOYSA-N 446.577 0.174 30 20 ICED C[C@H](OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)N(C)CCC#N 729250359 OGGVFKYRBDORGK-SLEUVZQESA-N 431.898 0.671 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1C 731204805 RFMODELFVZCJRQ-UHFFFAOYSA-N 447.582 0.599 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCOCCS(C)(=O)=O)c1 743109761 KYSDBVUTRZXGOP-SILNSSARSA-N 446.551 0.682 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746572342 LTZLKRZRMBMZCX-AWEZNQCLSA-N 431.470 0.691 30 20 ICED C#CCN1CCN(C(=O)Cn2nnc(-c3ccccc3I)n2)CC1 750001773 MDGBSZGCKMJAOC-UHFFFAOYSA-N 436.257 0.722 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)n(C)n1 758547080 VAQYBICZLUFDNR-ILXRZTDVSA-N 431.497 0.892 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 764996915 PYDCQPGSKCJXSW-UHFFFAOYSA-N 426.561 0.788 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 766016699 QKKKWPIBPDSNBN-HOCLYGCPSA-N 436.534 0.336 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@H]1CCCO1 781500226 NDLRDXANBVOXJI-HIFRSBDPSA-N 443.547 0.909 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790428286 UOLFWRBEMIBNTC-UHFFFAOYSA-N 437.521 0.597 30 20 ICED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793194470 LQUDYVXYTXYLDI-SFHVURJKSA-N 434.474 0.520 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 799284552 IULKLWJERQHIEO-ROUUACIJSA-N 429.473 0.683 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 807548434 XHQFIEJUQHZNBS-OLDCTRRGSA-N 435.506 0.162 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1 808900497 PQYGWQWSWJDLGX-FQEVSTJZSA-N 436.516 0.889 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCCN1CCCCCC1 817159127 XQSXRDBUKWEORK-UHFFFAOYSA-N 449.577 0.614 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 918157460 IDMBBWBVBKQKPR-MNDPQUGUSA-N 428.536 0.168 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1228666033 QGNGFNBLFPEECX-UHFFFAOYSA-N 437.522 0.849 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)[C@H](C)C1 1286882801 JGZXNJSRZSXVLU-OAHLLOKOSA-N 435.492 0.963 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1299304039 XYOWZPOEIFZDDU-PBHICJAKSA-N 434.522 0.606 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1OC 1316330873 MFZGGDQVTRXHOQ-FUHIMQAGSA-N 447.517 0.216 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1318423500 UPQXSNBVSCJWHS-VZCXRCSSSA-N 446.552 0.537 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)COc2cccc(Br)c2C#N)CC1 1442252114 PMLICEKGTKKJJZ-UHFFFAOYSA-N 445.339 0.393 30 20 ICED N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1471237267 MPKGRWAKIYMKBO-UHFFFAOYSA-N 448.545 0.916 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1510151304 OIQHUBCAVBCVNG-IHRRRGAJSA-N 432.572 0.451 30 20 ICED CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCS1(=O)=O 1513310396 URCSPZSSGXEGPF-CQSZACIVSA-N 425.559 0.828 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1547919899 RQQDFJMRXCIRSS-SIKLNZKXSA-N 447.584 0.687 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1566410195 UXFHRUZZASWDRD-CABCVRRESA-N 444.517 0.358 30 20 ICED Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)n(C)n1 1742664790 WGYBCGOBZNHTFA-UHFFFAOYSA-N 428.522 0.892 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1760301068 RCSHVHCIRMNAIY-MNOVXSKESA-N 435.348 0.512 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1765879607 JIPRMIJAEDVNJH-AEFFLSMTSA-N 427.502 0.949 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CS(=O)(=O)N3CCCC3)C2)CC1 1778091976 KVYKSUCRONTLQY-OXQOHEQNSA-N 438.550 0.230 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779198138 CIOOBZKGHXTRSL-NRFANRHFSA-N 428.493 0.132 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)c(C#N)c1 1780689037 SULGTLJHFPVTMW-XMSQKQJNSA-N 443.504 0.292 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781106588 UVJXARNDWMUWLJ-QFIPXVFZSA-N 434.581 0.579 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298634 MAAXBAWVFYHSMV-UWJYYQICSA-N 431.468 0.517 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781471412 PBCXAWRVVZOKCU-WHSLLNHNSA-N 440.610 0.557 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782157065 PCXKJKGEGIFNJW-MPWIWIEXSA-N 432.473 0.344 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)ccc1F 1782667144 VPTRMLRQNACBQF-QFIPXVFZSA-N 439.447 0.327 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783112098 VIBHOFQLDPLJAU-GSHUGGBRSA-N 448.520 0.362 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783556856 WTEWZAKCNIEMGD-WIYYLYMNSA-N 429.429 0.002 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)ccc1F 1783631183 WLBOCIYIIYCSGI-DUPRYPCISA-N 442.491 0.746 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784536227 POXIXQDJSAQIIO-TXTZMMAHSA-N 444.550 0.415 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785329438 URCGSZQEWFCMLY-WZONZLPQSA-N 427.501 0.675 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1785362743 KAWSHBGNVSAIJV-JLCFBVMHSA-N 441.488 0.516 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788469845 QCLQAKPQRNYJIF-FPXQBCRKSA-N 427.498 0.013 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788571226 CIQBBIIGNXZLLH-MGBSGCIJSA-N 432.477 0.341 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631521 LZUYWKFWGFHTHQ-UFYCRDLUSA-N 444.576 0.947 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21 1788661152 CDKSEEKYQWJCNJ-SLJHHOFSSA-N 436.553 0.981 30 20 ICED 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CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)C1 1799119801 IIBSCEULUASGCJ-LJCCNALRSA-N 436.516 0.980 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800750946 HTYXRDIKAACUFX-XIKSMUEASA-N 445.516 0.828 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806904401 AIPTXKXUZYGJNX-IRFCIJBXSA-N 430.549 0.993 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1807146136 WCKVNNNIVCVEHU-FUHWJXTLSA-N 435.550 0.414 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877756 QNKUPELWCVRCBI-OXQOHEQNSA-N 425.445 0.332 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666599 XLIZUOPYIBASKB-KZDCAYQWSA-N 433.494 0.876 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)C(=O)C(=O)O 1831164438 AWQFLSTVFJSGPT-ZMPUUUETSA-N 446.504 0.861 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831426009 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Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1837588252 GPEIOHRTGREHDS-IQTGRTGDSA-N 429.477 0.429 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1838190818 XOJAZZAOUBEUQC-INIZCTEOSA-N 447.391 0.320 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccccc1=O 1838737961 HIXJISGMUVNTET-ZHRRBRCNSA-N 439.472 0.379 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838907529 XRHQJMBVFNLTGP-HSZRJFAPSA-N 446.467 0.985 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1 1839064365 WEHCYRMUDZRLHV-URXFXBBRSA-N 425.529 0.836 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839164397 MOKNYMCQVOYXEK-RXVVDRJESA-N 437.613 0.628 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420529 OKPKTYLPGMKKEF-NRFANRHFSA-N 443.435 0.960 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccnn5)C4)C3)c2c1 1839488266 IAAOHISMXYVZPI-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839843706 KXIQLXWMMVKLHW-CKJXQJPGSA-N 441.525 0.498 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1)C(F)(F)F 1839893137 MZOGCUSVLLFDEQ-CQSZACIVSA-N 430.326 0.671 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CC[C@@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840011374 UVVZONQJUFDFRR-BDLQGWJCSA-N 447.532 0.864 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275250 CTMJQHMWWLCFRA-RJPLPAITSA-N 425.526 0.795 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840453313 HFAVYAIIYUFTTI-LTMIRXACSA-N 447.532 0.878 30 20 ICED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153425 IWQAHXNJLXEIBX-UHFFFAOYSA-N 437.504 0.933 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 24859909 ZCMIZJGVCWTKLH-UHFFFAOYSA-N 439.453 0.235 30 20 ICED CN(CC(=O)Nc1cccc(N2C(=O)CNC2=O)c1)S(=O)(=O)c1ccc(C#N)cc1 31533603 RAHKAAHRXUNJML-UHFFFAOYSA-N 427.442 0.874 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 32333519 XOOHTCTWIARRGA-UHFFFAOYSA-N 444.561 0.883 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Cc2occc2C(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410179003 PORXPEVGRKOJJV-ROUUACIJSA-N 442.516 0.926 30 20 ICED C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@]1=O 429571198 CUFXUUADWOQTEL-DEXQXJORSA-N 438.575 0.234 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 430066589 RFKSLKKOKYCFNI-HNNXBMFYSA-N 446.475 0.617 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 430373501 IHXKXBBZNLKAFR-MDZRGWNJSA-N 447.536 0.589 30 20 ICED Cn1ncc2c(=O)n(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)nnc21 440850119 CGZUOHUXHHVZEM-CYBMUJFWSA-N 436.476 0.895 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)CC1 445769458 ZNYUKLBVALCTBT-IRXDYDNUSA-N 433.534 0.025 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)c1C#N 472991294 HJZJGCOXNSKHLP-UHFFFAOYSA-N 442.954 0.942 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 475339309 PVSOTDJMLDYRNC-MSOLQXFVSA-N 446.529 0.201 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 477366624 OEEFSQDTMCRPCC-XMSQKQJNSA-N 439.516 0.839 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1Cc1ccon1 480957160 GAMCVZWLSZQGOW-UHFFFAOYSA-N 439.497 0.769 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 482516738 YLKCEDGLHPKOJZ-JTSKRJEESA-N 442.541 0.978 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1C 484177664 MJKRDNXSEGIHQR-LRTDBIEQSA-N 436.428 0.175 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 504733133 KEFZZXUWOHFTLN-CQSZACIVSA-N 440.909 0.803 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 507977129 TXNODVJBTKUOHM-CYBMUJFWSA-N 443.547 0.514 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508739418 KHJNYAFFYXRJDO-ZWKOTPCHSA-N 436.557 0.557 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 516596007 MUMKEDHMKIUSQN-IBGZPJMESA-N 449.515 0.166 30 20 ICED CN(CC(=O)NCCNS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 519086852 ATLKIAWIJIDBLR-UHFFFAOYSA-N 436.515 0.273 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CC(N)=O 524282660 CYDBEDKAAWMBJF-UHFFFAOYSA-N 438.509 0.806 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)nc1 533920812 MRANGEMYUDYOOJ-KRWDZBQOSA-N 432.502 0.820 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 536088742 CZXPACMEMBRFSH-UHFFFAOYSA-N 428.430 0.811 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 547415445 CVBRXXHEYZCSLM-HNNXBMFYSA-N 438.440 0.946 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 552589601 YKBRORIWPHZRSE-NQIIRXRSSA-N 428.533 0.939 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(-c2ccc(F)cc2)c1C 553891795 FFNXMGIWCYXVAS-UHFFFAOYSA-N 434.497 0.865 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2=O)cc1 586838255 NIMSKDCEDHRWMM-KRWDZBQOSA-N 433.459 0.621 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(CC4CCOCC4)CC3)CC2)nc1 587658909 GVKASYWTWSOZSL-UHFFFAOYSA-N 440.548 0.609 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1C#N 589272834 HORXUIFJRNHSPB-GOSISDBHSA-N 426.525 1.403 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603796726 MFHPHYNKRJVDGV-UHFFFAOYSA-N 431.514 0.603 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 610928871 UVYYRENKCKLUEL-UHFFFAOYSA-N 444.925 0.962 30 20 ICED O=C1COc2ccc(C(=O)NCC#CCNC(=O)c3ccc4c(c3)NC(=O)CO4)cc2N1 681340132 ZHPYNUUYXXDTBT-UHFFFAOYSA-N 434.408 0.512 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726180755 UPOXYYVMUDRVIJ-UHFFFAOYSA-N 425.518 0.124 30 20 ICED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1C 732908721 PZZYPSHEPZTDOP-MRXNPFEDSA-N 447.542 0.942 30 20 ICED COc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(OC)c1 732910611 RFZINBPAFFJVNZ-UKRRQHHQSA-N 449.485 0.023 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733888366 YMEYDJSOYCQLRN-FMQUCBEESA-N 443.485 0.308 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521403 IDOMREZQRMUCMC-ZFWWWQNUSA-N 448.501 0.934 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 746812535 DWNPKPIXZFZSLO-KMEDIVRHSA-N 449.533 0.552 30 20 ICED CN(C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1(C#N)CCCCC1 753663895 XXZBCZSQSFBHRP-CQSZACIVSA-N 438.506 0.380 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755043280 XJSUMRHPJODTFZ-UHFFFAOYSA-N 429.568 0.694 30 20 ICED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 757855489 CXGNLUYYQKZILT-AWEZNQCLSA-N 431.923 0.486 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 758049729 JWZLXWDLKRMRQN-ZDUSSCGKSA-N 429.473 0.345 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CCO2)c1 762010344 HPRSQDJCMVXFHN-GOSISDBHSA-N 434.456 0.428 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 767628178 TYTXWRQDUXTLSV-CJLVFECKSA-N 446.493 0.279 30 20 ICED Cc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 771059609 SMUCZSKMZGDKRU-UHFFFAOYSA-N 441.531 0.769 30 20 ICED CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 772647339 JGAHHCQOOLJWLH-ZIAGYGMSSA-N 445.563 0.695 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CCC(C#N)CC2)cc1)S(C)(=O)=O 773721489 ITWIRBNLFQHYFF-UHFFFAOYSA-N 444.535 0.736 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 781596225 YUTPIVZRTJFSFE-UHFFFAOYSA-N 443.434 0.430 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CC[C@H](O)C1 782055979 HXRDGYRGCPTGCK-SFHVURJKSA-N 442.541 0.998 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCC[C@@H](S(C)(=O)=O)C2)CC1 788428925 VXRCQRRNYZAXHY-OAHLLOKOSA-N 429.568 0.773 30 20 ICED CC(C)(C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(F)cc(C#N)c1 803925904 DYOPWRCMSKVRJA-CQSZACIVSA-N 425.438 0.531 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2=O)cc1 806685920 SYJUZQSCQJXTHI-QZTJIDSGSA-N 426.473 0.577 30 20 ICED CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1cn(C)c(=O)n(C)c1=O 807184160 UADQSZGFAVLKCT-UHFFFAOYSA-N 438.466 0.469 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@H](C)C1 807319169 UNRBUAHFSBRKEG-VGLIXDPASA-N 435.550 0.991 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnnn2C)cn1 807935627 GOWCMHBFYWLUBL-MRXNPFEDSA-N 447.569 0.621 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 808237895 JZXVSNUGCCIQFX-SFHVURJKSA-N 431.456 0.270 30 20 ICED N#CC1(OCCOC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOCC1 809082307 WKILWWGTDXMDNV-UHFFFAOYSA-N 437.474 0.053 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)ccc1F 914465675 RWVQCLXFQWECIQ-UHFFFAOYSA-N 426.514 0.572 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916918370 SHTDWWVEGGNLJP-INIZCTEOSA-N 433.486 0.885 30 20 ICED CS(=O)(=O)Nc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917187345 BOFQPUQGAFGCTL-UHFFFAOYSA-N 436.515 0.803 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 918288330 CKDAGDINECHVLK-JWGURIENSA-N 435.506 0.162 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCNS(C)(=O)=O)c1 918545415 PVEXCWVHGVIUEL-PGMHBOJBSA-N 445.567 0.950 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1263375423 OSSWDKQLGHFAFM-ZDUSSCGKSA-N 432.296 0.541 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1291372771 GMQOYWYPBZHVLH-APWZRJJASA-N 440.570 0.902 30 20 ICED CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1299053745 QCCICEAXIAEBDK-UONOGXRCSA-N 433.538 0.892 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1314144282 ZTFLFVUMDNEFLN-BEFAXECRSA-N 441.554 0.872 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 1318770485 AJGJWDVLQWEZLA-HKUYNNGSSA-N 425.489 0.944 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1323953230 QKPFUZKASRESOC-GJZGRUSLSA-N 428.474 0.422 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2=O)cc1 1324574273 BNOTZUFEHGUCEB-LJQANCHMSA-N 445.479 0.800 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1470672694 WACOLYPTKLLDCN-UHFFFAOYSA-N 434.566 0.656 30 20 ICED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541288200 TUZISICHNZMAQN-KRWDZBQOSA-N 428.541 0.349 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1541928188 XOPLSKNNQVRWSJ-FZKQIMNGSA-N 441.533 0.779 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1696332464 NGJNUUFQVINYCZ-IIBYNOLFSA-N 427.509 0.948 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1698304205 MBVBWNLICDEITK-MRXNPFEDSA-N 437.547 0.875 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1728208521 SFFKXLDVALQISR-MRXNPFEDSA-N 439.476 0.896 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1740802838 OHLGUBLTBKFGRZ-AWEZNQCLSA-N 432.978 0.942 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1748201679 GQHKILBEPYYUGV-QFIPXVFZSA-N 440.504 0.843 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1767847318 IVQQCEDBNJLKLI-UHFFFAOYSA-N 445.549 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(O)nc2)C1 1780125829 FQYHOXIHQFCDBT-GUEKAFECSA-N 428.489 0.773 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300938 HLOGCMPWVCXPEL-IVZQSRNASA-N 428.464 0.760 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1781960345 KXOOMIWLNAMSNA-HXUWFJFHSA-N 442.407 0.946 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2)C(F)(F)F 1783207900 YBLYQMIUWYQYPS-SCLBCKFNSA-N 441.410 0.543 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c1 1783915478 CNTWLCXLVBBRAF-ACRUOGEOSA-N 449.511 0.727 30 20 ICED CCC(=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 1784366298 XQAOUCDLCLJROY-FRJWXJJESA-N 438.525 0.410 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1785016704 GWCKTELGDDKANR-FHWLQOOXSA-N 436.622 0.665 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1785427971 NJBKDPNLNCXPPC-SSPYTLHUSA-N 425.529 0.865 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1785576730 MGOAKVDRYUOJNV-AVCGMFPDSA-N 447.532 0.625 30 20 ICED C#CC(=O)NC1(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CCC1 1786787741 JJWKQAUDKMZESW-UHFFFAOYSA-N 434.456 0.201 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788256507 PZZAWTOGCLEGHR-FPXQBCRKSA-N 445.520 0.201 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1788570507 XBIRVIISNBAJMF-VGWMRTNUSA-N 428.551 0.445 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1789345165 XVCKUCICOJZVTJ-QTZPLXLNSA-N 444.517 0.282 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789930001 XONMQVYNDUYGQX-GVRJEKJASA-N 445.582 0.560 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791234948 WKNAZUCRZRWJBA-HLXURNFRSA-N 432.517 0.760 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(O)cc3)CC1)C2 1792484794 RIZPWYYQPMPFGG-TXFQXBMRSA-N 439.512 0.872 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792562692 XPWBRIGDGUAAOF-XAPVIXHLSA-N 426.517 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1792567623 XQWQDMUILWEZSM-YMUYUNRWSA-N 436.509 0.326 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 1793602237 PJPYNPXUTCBCGL-RFXPCRSYSA-N 437.537 0.918 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277748 FBNZLKPDDJGFPJ-HNJRGHQBSA-N 443.500 0.471 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)C(=O)O 1796444908 SIJKDPYSVXXJGM-SUMUDYOHSA-N 435.502 0.139 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1797818382 MLPSHYYZQIEUOE-XCKOJJSUSA-N 438.510 0.015 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798499848 AVJDFUGFPATYLA-MOVRPIGNSA-N 425.482 0.769 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1799391597 OJHXKVGAIIQRAR-PLJUSGQGSA-N 439.538 0.179 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(C)=O)c(C#N)c1 1800541291 NMMAMTYUIIVJMI-OPMZPASUSA-N 428.489 0.225 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2 1800774947 SKEVOCUBHBSMPF-DBWKPXFBSA-N 435.820 0.468 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804087168 FRCFTJKQPJIOCF-ALKREAHSSA-N 429.477 0.230 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1808406444 DXMILROSIUWKCE-KNQAVFIVSA-N 444.557 0.926 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810250122 RVEJZWYILDJZCM-WNRNVDISSA-N 448.520 0.725 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681934 AXSZFOUSBSFTGB-QCCQCXHASA-N 434.482 0.271 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821470340 ZNTUGYFLMYVIPI-JHAVZTMOSA-N 429.506 0.924 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900115 HBIJIZKPIQHUOQ-KCDOPAPYSA-N 443.504 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801136 WZGCTPCIYHKEGK-WBVHZDCISA-N 429.454 0.369 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)c1 1829485385 FVCFKCMNNNBBEM-IBGZPJMESA-N 429.389 0.771 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705272 DPLWEOUEPLASCC-MJGOQNOKSA-N 431.624 0.446 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829712320 MVLPDJPZEGXFEP-MJRGOJFPSA-N 427.505 0.862 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829822981 DKCGTJWPZUXCKA-RETMYHCQSA-N 434.493 0.241 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1829898393 BNMHVNSZPZVXPX-JOCHJYFZSA-N 437.456 0.367 30 20 ICED O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)O1 1830465609 NXCDBBWLHQSLAJ-LAUBAEHRSA-N 447.875 0.256 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830472278 JQXLFHDSKSSNPJ-OAQYLSRUSA-N 449.891 0.504 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1831392714 MUAUPBMZNHKRNT-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1831395958 DIKUJGARAAUFMT-FOIQADDNSA-N 432.502 0.504 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831396804 KILWYGRFHDCWSV-SBUREZEXSA-N 441.484 0.675 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831425815 DZIDLRBRMCUGFE-AUSIDOKSSA-N 434.533 0.733 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)ccc1F 1831754958 NXGPIPVEENNNDC-HXUWFJFHSA-N 445.476 0.862 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1832064934 KAXJYDMBRIQOBK-REWPJTCUSA-N 444.507 0.790 30 20 ICED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)ccn1 1832590199 HVPIDWWKNSHZFV-QHCPKHFHSA-N 427.501 0.893 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833091572 HZSIHPUNRVEVPR-OAQYLSRUSA-N 434.493 0.157 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835056352 MTJYCMDWQQUPRY-ANRKENSESA-N 446.552 0.717 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835593015 YTIQEJCOFVIACH-LUHLREGVSA-N 440.541 0.345 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)cc1 1835837452 DFOJCJCXTOQDNF-OAQYLSRUSA-N 441.513 0.910 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837069332 GZLLNDOTTDMPKG-INIZCTEOSA-N 438.550 0.502 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837394980 NDHIVMDKVITTBV-FOIQADDNSA-N 438.912 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1837397992 YQYHXVIBJBVFHC-MGPUTAFESA-N 438.550 0.419 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837403550 NNXUZNUEUIGWEW-AUSIDOKSSA-N 442.516 0.977 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486589 KGGUDGJBHIYFFC-JXHRLWIKSA-N 436.549 0.548 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)O1 1837529253 QJUZYAOJFFUUJX-ULJMOFSOSA-N 439.509 0.539 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1C(F)(F)F)CCO2 1838144728 QAZBDVMNEMWFTD-GOSISDBHSA-N 441.362 0.258 30 20 ICED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1838287481 QGEKTDPUNJMNFB-UHFFFAOYSA-N 431.581 0.926 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1838904674 SRSZZQBUAZDMCM-XMSQKQJNSA-N 426.473 0.154 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccc1O 1838974269 GEOCYDWTFGMDHQ-QFIPXVFZSA-N 440.456 0.984 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1839172379 QNQQMRZAYOOWEF-DYESRHJHSA-N 438.521 0.503 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1839174459 DIPGTQPTTBXQGC-OAQYLSRUSA-N 434.493 0.552 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839381526 ZIDYUSZICKPUGZ-YWZLYKJASA-N 431.518 0.656 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cncn1 1839422163 GSIBSXCHMMCDGU-BTYIYWSLSA-N 442.451 0.620 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1839451596 FJSVDLQSBIKWRA-GCJKJVERSA-N 426.473 0.215 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482320 KYLKJVVOZIPILA-HXUWFJFHSA-N 442.432 0.845 30 20 ICED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839767822 YDWMPDKGSFEDPM-OPAMFIHVSA-N 432.448 0.549 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1)C(F)(F)F 1839893369 WANIICQIXRGTJH-SFHVURJKSA-N 444.410 0.854 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840143881 HOULRLSDCFJDBX-MFCZKXCZSA-N 426.535 0.517 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1 1840352861 OPZKIVISCAOUCF-XQLDGGAHSA-N 431.537 0.977 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)C2 1841054053 GMOUMPJCZPTCQR-SREVYHEPSA-N 429.477 0.838 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)CCC#N)C1)C(C)C 1842813994 YXXRISLZCBPOLX-WMZOPIPTSA-N 447.536 0.865 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)C1 1845668644 MSDHDWRAWLFXKY-PLNGDYQASA-N 441.513 0.801 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)s1 433185049 ZYGJTYZUEMAZIH-OKILXGFUSA-N 429.568 0.853 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3[C@H]3COCC[C@H]3O)n2)c(F)c1 440167373 JADCYLGVIJXJPY-QGPMSJSTSA-N 427.436 1.210 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)C1=O 440282204 ZSCDSHMJVQCQOV-HNNXBMFYSA-N 439.476 0.732 30 20 ICED Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441399591 YALPEBSRZRRPTB-LJQANCHMSA-N 443.467 1.394 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 441930301 DLDFWUIBYDSZRB-OAHLLOKOSA-N 433.534 0.712 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCOC2)c1=O 441931085 GJNWFXWHIVTERH-AWEZNQCLSA-N 427.530 0.242 30 20 ICED CCOc1cc2c(cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1)OCCO2 446532105 SJXBNRBCCNWRDW-UHFFFAOYSA-N 432.477 0.869 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 446774604 GWFWEJAOFAWIIG-UHFFFAOYSA-N 447.455 1.492 30 20 ICED C=CCN(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)[C@H](C)c1cccc(-n2cnnn2)c1 465119644 IDJMNUFZPSFLBT-OAHLLOKOSA-N 448.487 0.790 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 473866916 RIDWJRNCJCNKHG-QGZVFWFLSA-N 431.474 0.273 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCc1ccccn1 474364358 WLWSNEQSYCWDNB-UHFFFAOYSA-N 449.536 0.517 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)n1 479383474 MESSVFUQPDVPMZ-GOEBONIOSA-N 441.509 0.601 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C#N)cn1CCOC 481400945 MWVRHBQQSJYEBF-UHFFFAOYSA-N 443.464 0.797 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 482811503 MDUYKMWZXBGLOR-GJZGRUSLSA-N 439.501 0.624 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 488190102 ZIYHGTGTOVMSKZ-DRKIFQHWSA-N 445.549 0.525 30 20 ICED Cc1ncc(S(=O)(=O)NCCCN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489550385 POKWTXHDVDNKLS-UHFFFAOYSA-N 448.530 0.826 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)cc1 506213239 BCYFQKRPZFKXPZ-HXUWFJFHSA-N 437.518 0.840 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1Br 508650148 CBQODFOJFYQKAX-UHFFFAOYSA-N 434.250 0.896 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 514628206 BWHPZNWJSXQBCN-RBUKOAKNSA-N 437.500 0.389 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1=O 523312794 LNKNSRRVABCVNS-UHFFFAOYSA-N 448.480 0.153 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCN4[C@H](C)CC[C@H]4C)CC3)CC2)o1 533265995 OFTIYLWLELBGQY-RTBURBONSA-N 443.596 0.994 30 20 ICED CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 568345304 HEHSYNVVFSCGTI-QGZVFWFLSA-N 439.537 0.702 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 572340392 LRPVGSFRRSTJAA-QGZVFWFLSA-N 437.521 0.383 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 578210010 SRHUPUBHDKOONS-OAQYLSRUSA-N 427.549 0.675 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 581135324 DXIFJUCDIUIWDD-OAQYLSRUSA-N 441.576 0.386 30 20 ICED CC1(C)COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 584402761 SBKDGDCQYOLCJC-GOSISDBHSA-N 427.505 0.397 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611611762 IEGSPMSPDMGNSD-UHFFFAOYSA-N 427.440 0.054 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611616411 MLIBMSRBKDEAAV-UHFFFAOYSA-N 444.444 0.705 30 20 ICED C[C@H](OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)N(C)CCC#N 729250362 OGGVFKYRBDORGK-TYNCELHUSA-N 431.898 0.671 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3sc(C)nc3C)c2=O)cn1 736582319 KVUSHGQNHYYJDZ-UHFFFAOYSA-N 440.554 0.970 30 20 ICED CN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 739127930 VJPZFXVOLLEVRA-ZOAKPAGHSA-N 449.533 0.565 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 747742169 PFIARCOQVCUCPI-UHFFFAOYSA-N 437.518 0.360 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)[C@H](C#N)C1 755552300 ZSTAUFJQVVGTSJ-IUODEOHRSA-N 431.449 0.364 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758079860 SPZWSQLZISEJLO-UHFFFAOYSA-N 433.537 0.664 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 761915050 KDROYFJLMJTAOM-HOTGVXAUSA-N 435.502 0.265 30 20 ICED CSCc1noc(CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 767684242 LHUBTJVCOIUIOW-UHFFFAOYSA-N 434.478 0.925 30 20 ICED COC(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769211896 HIERPXAUSWPGMZ-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1C#N 774449760 RDKNJHZDHNXTDY-UHFFFAOYSA-N 442.432 0.608 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)nc1 778521187 AMPNHQVGCXQUIE-UHFFFAOYSA-N 440.435 0.732 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 783011736 COSHMBDJQNBIMK-UHFFFAOYSA-N 425.507 0.772 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@@H]1CCCO1 785642671 HVVJSKPAEHALQS-FHWLQOOXSA-N 426.473 0.940 30 20 ICED CN(Cc1ccccc1)C1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 797786249 NHLZSXUMQLCUAP-UHFFFAOYSA-N 433.534 0.793 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 799257334 IVTJDRVTHDRMCU-JSGCOSHPSA-N 443.460 0.856 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1CCS(=O)(=O)C1 807002636 OAZODVJBSVOFOW-ZDUSSCGKSA-N 441.456 0.389 30 20 ICED COCC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810468892 XUQQTFRAUPGCKK-GBPUDXIESA-N 440.522 0.606 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOCC 812275839 DFJHQVXIVAXAQH-UHFFFAOYSA-N 439.488 0.647 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)c(C(F)F)n1 812277985 BFOPOXJXVUKIOK-LLVKDONJSA-N 449.483 0.399 30 20 ICED CCn1c(=O)nc(O)c2c(C(=O)NS(=O)(=O)c3cncc(C#N)c3)cc(C3CC3)nc21 813981885 KUQCOBLIHHQKFN-UHFFFAOYSA-N 440.441 0.780 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C(F)(F)F)c1 838103982 KMYHGSYXIJEPKF-UHFFFAOYSA-N 433.415 0.900 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOC 916200528 DXUSNCOWIVZQIB-UHFFFAOYSA-N 429.498 0.379 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1288170035 MESAXHJYTGQVOG-QGZVFWFLSA-N 446.533 0.760 30 20 ICED C[C@@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1288705346 OGIFJEFZGOYTCX-DLBZAZTESA-N 440.508 0.622 30 20 ICED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1313854303 JHOOFAPMUVGETK-UHFFFAOYSA-N 435.492 0.771 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1314143556 VSRCLLDEIWJXPL-RXVVDRJESA-N 432.525 0.917 30 20 ICED CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315049577 OUYAZLCOURKHKA-HUUCEWRRSA-N 425.497 0.295 30 20 ICED CN(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)c1ccc(Br)o1 1338866471 SDJHROOLOJHGNJ-CCEZHUSRSA-N 425.239 0.757 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1344416255 PCGFVLXXBPNYSJ-UHFFFAOYSA-N 449.536 0.738 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@@H]1C 1499165041 RMCBSSZBNWOBCH-SJORKVTESA-N 425.541 0.938 30 20 ICED COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1504754808 IOGIMBSZVKPGSL-LAUBAEHRSA-N 425.493 0.818 30 20 ICED CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1515862211 NDFUKHHABPUIPD-OAGGEKHMSA-N 425.559 0.491 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1545145981 NHBGLXMZFUXXLT-YWZLYKJASA-N 446.533 0.438 30 20 ICED CN1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(N2CCOCC2)CC1 1597423971 RZJUGXYTGUNSOG-IBGZPJMESA-N 425.533 0.824 30 20 ICED COc1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1S(=O)(=O)N1CCOCC1 1652103018 WNBQZXBHCDBGHZ-UHFFFAOYSA-N 432.458 0.388 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1730764065 QOJFJEWHGYJJJE-SJORKVTESA-N 440.570 0.267 30 20 ICED CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1748496872 VTBBRWVAJNCSNX-HXUWFJFHSA-N 446.533 0.704 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1778049404 DVCDGFKCYYAWQL-WHSLLNHNSA-N 438.525 0.954 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1778975258 FGVOTEMNBXXXOL-BFUOFWGJSA-N 441.575 0.250 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)CC2)CC1 1779018866 HZPJXHATOPOWFL-ZRZWOPFXSA-N 446.596 0.068 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019724 SVTYERGUKPDOSF-VSIOZEBNSA-N 428.493 0.322 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779035223 BGUZKIYRJCTYDK-QFIPXVFZSA-N 443.573 0.805 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779107058 RFRYEZCYQNMKCP-ZLTNTPEESA-N 432.477 0.689 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1CCN(C)CC1 1781094905 ZIVUVUXQPZHZGA-OGPLKVJOSA-N 431.537 0.164 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783106121 ABJPVNMFPFZXNA-MRUHUIDDSA-N 425.526 0.914 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783662248 XLJSWCQMSNLMHO-GHTZIAJQSA-N 428.526 0.477 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784012249 UTWKSEIGYMVJSK-FJIDUMEYSA-N 447.532 0.862 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1785572032 IIJFBAJQKGDBCO-FDDCHVKYSA-N 448.564 0.829 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nn1C 1786006122 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434.440 0.497 30 20 ICED O=C(CCc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801409424 IGVSYNQHZQYBSN-JBXAFTOGSA-N 431.493 0.528 30 20 ICED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1806013993 ZYPFGXXPYHAEIP-UHFFFAOYSA-N 443.508 0.640 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1806770616 YLRRGOXFVTWXDS-MEBQZGJUSA-N 432.502 0.844 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1807145994 SYWZCKBWENHLPQ-WIYYLYMNSA-N 440.548 0.992 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1810358758 VGTBNYPBKPZPQU-ZJLNXOFASA-N 441.492 0.908 30 20 ICED NC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810365264 VJNSHOVPTWTVPT-KGMJUQNVSA-N 432.481 0.285 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#Cc1ccccc1)CC2 1815056768 QXASBTFHZFSARO-CABCVRRESA-N 425.514 0.700 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890427 RMNUPAMFXMONBI-GDBMZVCRSA-N 449.577 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NC(=O)C=C)n[nH]1 1819576325 QXYFKDHXYLXYRM-NRXPATIISA-N 428.493 0.951 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1819774435 OCZFWZOMPXCWKC-NWGMWSOJSA-N 434.566 0.859 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1820967081 NCFSVOLXCPCZDB-OCCSQVGLSA-N 433.469 0.755 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(OC)OC)C2)C1 1829260353 PJLGCCVJLZIGOO-QFIPXVFZSA-N 429.473 0.691 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830638409 OYWUBUVCSAJSLW-OAQYLSRUSA-N 432.477 0.726 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830981905 LMQDUIHMZFYYOA-UWJYYQICSA-N 434.493 0.410 30 20 ICED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831043834 SXFGZVJBZHTWCR-NRFANRHFSA-N 433.461 0.012 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=S)NCC)CC1 1831090284 WZFHPFXDBFSVBJ-CNZFZVQHSA-N 449.621 0.949 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1831399250 SZHYADPITLQHAV-SPLOXXLWSA-N 438.427 0.779 30 20 ICED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1832909251 VODWJTVXDGMVMZ-QHCPKHFHSA-N 427.501 0.893 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1832928418 YJATVYKJRLEGGH-KQBANSRISA-N 431.449 0.089 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833039713 SRRYFPJUAGCVKA-IGPUNGKJSA-N 446.552 0.428 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CN4CCCC4=O)CC3)CC2)c1 1834626260 JWLQRVFEEIYXOI-UHFFFAOYSA-N 426.521 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccncn3)CC2)CC1 1835144077 MPPMSNISOXWKFH-ARJAWSKDSA-N 426.521 0.520 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4ccccc4n3)CC2)CC1 1835277216 ZJTJJKBDLOYDOH-UHFFFAOYSA-N 435.484 0.903 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ccc(F)cn45)C3)C2)CC1 1835346610 JVDRSFWDISKTPH-OAQYLSRUSA-N 427.436 0.847 30 20 ICED Cn1c(=O)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nc2ccccc21 1835356936 CFJZNMPNDPKOLO-QFIPXVFZSA-N 439.472 0.307 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835357058 WUAFZUZITSHQEB-NRFANRHFSA-N 436.509 0.613 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835443558 IKBCXDOYDNCKRN-DEOSSOPVSA-N 441.528 0.217 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)c1ccc(O)cc1 1835534278 ZZWRWWONRBHHFS-VAXXYWNWSA-N 443.544 0.940 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4nncn4c3)CC2)CC1 1835581777 YNWFIUQYDKOVMY-QGZVFWFLSA-N 438.532 0.953 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835617149 SHVDABBIPJMDDX-NGPKUFNOSA-N 440.541 0.360 30 20 ICED CCc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835674017 CRVWKAJUHCGRHE-HSZRJFAPSA-N 443.548 0.996 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3c(n1C)-c1ncccc1OC3)CCO2 1836262459 KENQHNQBLOYUPO-QHCPKHFHSA-N 436.468 0.683 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836967458 VZCIDMSDSOBABH-IIBYNOLFSA-N 434.493 0.327 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486770 OAEKNZUQVMXHEZ-XXBNENTESA-N 432.517 0.180 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1C(F)(F)F)CCO2 1838144729 QAZBDVMNEMWFTD-SFHVURJKSA-N 441.362 0.258 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838672177 KNIMJKWFCIKHGQ-KKSFZXQISA-N 434.493 0.967 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccn3)C2)C1 1839173704 HQJJBOVHZMVSEZ-JOCHJYFZSA-N 431.489 0.969 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccn3)C2)C1 1839173705 HQJJBOVHZMVSEZ-QFIPXVFZSA-N 431.489 0.969 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839225530 LUJVGZGKMMCHIB-QRWLVFNGSA-N 438.481 0.692 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)CC1 1839453374 HXODWOVCUDDNKM-QFIPXVFZSA-N 441.484 0.890 30 20 ICED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489420 UFTTYQQAZJAYHK-SZNDQCEHSA-N 427.461 0.539 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1840044733 ULBMGWRAQFWODM-CVDCTZTESA-N 426.469 0.336 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4ccccc4O3)CCO2)C1 1840135309 OLWQYFMWYSUOQB-ZHRMCQFGSA-N 442.512 0.875 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840162418 WTNPSFUSAZIIAT-HRAATJIYSA-N 438.546 0.836 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840175141 FQOFFVCGIPLVSP-SSPYTLHUSA-N 443.544 0.654 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840405864 HMXYUSGOSXQATO-GCJKJVERSA-N 448.520 0.718 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)c1 1840714501 WKUCNKHPYYEHPS-IERDGZPVSA-N 439.476 0.070 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818340 XFBLLRZGGDCOBC-QFIPXVFZSA-N 426.473 0.943 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939449 DFULHHDCKLMIFP-PXJFTPKESA-N 435.569 0.400 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1843836816 SCOITJDHRBMGLF-UHFFFAOYSA-N 444.557 0.976 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1CCN(C)CC1 1845099792 QBOROFXHFBNSOY-MRXNPFEDSA-N 435.532 0.887 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197021 LJFJVLXIWYGJJH-YCRPNKLZSA-N 431.489 0.925 30 20 ICED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301936 MOGYDBIJICYBEI-OAHLLOKOSA-N 442.582 0.928 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)cc(OC)c1 1847784533 IVOSLNOIJTVDCW-KKXDTOCCSA-N 434.518 0.710 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 11108212 INMXCSGAMXKRMY-UHFFFAOYSA-N 448.295 0.868 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1 26076812 KHCKBUCHZZEAOL-UHFFFAOYSA-N 429.454 0.753 30 20 ICED CCn1c(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nnc1N1CCOCC1 31917498 XDZXOGDDMYFWAY-UHFFFAOYSA-N 446.537 0.744 30 20 ICED Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)n2)cc1 409545778 ALFJAKPHGIQJBT-QGZVFWFLSA-N 432.506 0.632 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCCOC)c1=O 435197870 VRKHCKAATZTUSN-UHFFFAOYSA-N 425.510 0.903 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCOC1 441943485 BFLFSYOVOQXHQM-CYBMUJFWSA-N 449.554 0.282 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 441961487 QVSXSUWTIZQTIU-ZDUSSCGKSA-N 428.539 0.909 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 442406062 LCGLZRQMMDVNIX-UHFFFAOYSA-N 433.446 0.168 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 443824186 FPHHAFYFTLHPEU-GDBMZVCRSA-N 446.508 0.819 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446326469 ZBPPPIGSXVBGAM-RNIPGJKVSA-N 427.482 0.396 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 472667938 KQKUMQOXLJDORA-JLSDUUJJSA-N 448.524 0.687 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 480966870 VLTQSOSOAMSKIZ-UHFFFAOYSA-N 439.453 0.884 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)cc1 484089090 XEEZIZXDKRXYHQ-KRWDZBQOSA-N 425.532 0.652 30 20 ICED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508577288 OTMXAFMXNRTOLL-GOSISDBHSA-N 446.533 0.897 30 20 ICED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 508868582 VXSUHUBEYRQBTP-INIZCTEOSA-N 443.533 0.944 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 511535195 PQDCIHGNEHEIKU-UHFFFAOYSA-N 434.456 0.881 30 20 ICED CN(C)C1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513250458 VSSFWTKHFWGLHD-UHFFFAOYSA-N 427.484 0.964 30 20 ICED CCCN(CC(=O)N(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 515744375 GPSTUVTVURBRCP-UHFFFAOYSA-N 435.550 0.191 30 20 ICED N#CC1(c2ccccn2)CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 516493292 RBTNOXDZOORCCK-KRWDZBQOSA-N 439.497 0.918 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 517749660 WYEAALHTIMAPOO-INIZCTEOSA-N 428.532 0.523 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 517856527 ICJFFMWCBIUTRW-UHFFFAOYSA-N 440.460 0.975 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)o1 523251670 FLISGRNIZYEIRO-UHFFFAOYSA-N 436.493 0.927 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 548617761 IHFWNAXAXBGKAA-GFCCVEGCSA-N 439.518 0.718 30 20 ICED Cc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)nnn1Cc1ccccc1F 555815767 QVMOTVJUPAOXLH-UHFFFAOYSA-N 425.428 0.638 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)C1=O 564145218 YARWKUVJWKSIRT-OALUTQOASA-N 426.517 0.582 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 575843892 BNXVOLGHWSXBJO-CQSZACIVSA-N 432.462 0.078 30 20 ICED COc1ccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)cc1 585685237 HTPCQSUVXSIGID-FQEVSTJZSA-N 429.521 0.289 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 589414959 QZXSOBHEXYAWTC-UHFFFAOYSA-N 429.458 0.692 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 669811501 ZTUYZMUQLBQVMC-UHFFFAOYSA-N 443.533 0.896 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726000205 NAUTYWQVARBPTC-VQTJNVASSA-N 438.484 0.950 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 728536262 QSHWIUJSNKGXAH-UHFFFAOYSA-N 440.525 0.995 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)CN1CCOCC1 732165023 FPRTVAACUFAWGK-SFHVURJKSA-N 442.541 0.785 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1C#N 757757924 MDCMKQIDIRADFP-HNNXBMFYSA-N 433.513 0.888 30 20 ICED CCc1nnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1CC 758461871 TUAGCAWNKBSFPV-ZDUSSCGKSA-N 427.552 0.112 30 20 ICED Cc1c(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cnn1C 759082041 KLEGVNKVSBITPQ-HAVVHWLPSA-N 432.506 0.796 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccn(C)c3)c2=O)cn1 763460654 LOKNVJZZYUKTQC-UHFFFAOYSA-N 440.529 0.110 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccnc(N(C)C)n2)C1=O 775657512 CGTQNMWOMVQKKN-HNNXBMFYSA-N 441.517 0.909 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 777945777 AMADFYBKLMUQEK-JTQLQIEISA-N 432.433 0.561 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(Br)nn2C)c1=O 782572591 HGSREYSMIKZCHH-UHFFFAOYSA-N 436.335 0.621 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 783350838 QRBRWUQXIGRWHU-UHFFFAOYSA-N 448.545 0.629 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCS(=O)(=O)C1 783480651 KZTNONYPGKOXML-QGZVFWFLSA-N 445.472 0.623 30 20 ICED COC[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)NC(=O)C#Cc1ccc2c(c1)OCO2 783734870 WLZQWMVKZLTVFL-GOSISDBHSA-N 448.431 0.795 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788114613 QVIJBZDUGXKLTN-UHFFFAOYSA-N 426.502 0.474 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O 788390010 YUGUOFXPDIAAQZ-XLIONFOSSA-N 431.518 0.783 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)s2)c1=O 794582193 TVUUXZMILHLIFQ-ZDUSSCGKSA-N 429.523 0.988 30 20 ICED CNC(=O)NCCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 795631688 VDTSVLRTVQRVIW-UHFFFAOYSA-N 430.421 0.317 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCCO1 804595880 CODIBBOHLSGXPV-SLFFLAALSA-N 426.517 0.297 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 805717335 JFDBVJIHIQMXEP-UHFFFAOYSA-N 432.433 0.782 30 20 ICED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 807832481 OKPVEEPPRWEZSG-HNNXBMFYSA-N 428.493 0.585 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 857749865 FITGJTBHIRPPDF-IUODEOHRSA-N 428.894 0.554 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1 899464397 QNZVIVMTAZMTCN-UHFFFAOYSA-N 446.529 0.973 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665539 VXMACCZRPODGCV-HNNXBMFYSA-N 437.518 0.777 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 914697846 WIVWBWXGKLLOOP-UHFFFAOYSA-N 438.535 0.159 30 20 ICED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916967516 ZLQFGXIURNLMQO-CQSZACIVSA-N 428.426 0.603 30 20 ICED COCCn1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ccc1=O 918617392 ULADLLFYMWKCRS-XLNRJJMWSA-N 433.490 0.955 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)N(CCC#N)c1ccc(F)cc1 919132643 VWRGCFWWJBDKJL-CYBMUJFWSA-N 437.453 0.716 30 20 ICED C[C@@H](OCC1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920782938 WLEDXVBERZNWGC-OAHLLOKOSA-N 435.502 0.749 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(CCC#N)CC2)cc1 1161736527 LEDQVFSOVAZLCA-UHFFFAOYSA-N 435.550 0.505 30 20 ICED CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1292227140 ZHUMEQYFEBKHJZ-HOTGVXAUSA-N 426.543 0.776 30 20 ICED CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1298571015 LADZKXCHGPWOKI-OXJNMPFZSA-N 431.518 0.839 30 20 ICED CC1(C)CN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C[C@H](C(F)(F)F)O1 1335317172 VTKKEBGASHXRST-MRXNPFEDSA-N 447.506 0.988 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359143174 VRZBTCXKUSYVHG-HUUCEWRRSA-N 432.978 0.942 30 20 ICED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)c(=O)nc1O 1468084341 XFXDZLKCEVVKTF-NSHDSACASA-N 439.241 0.690 30 20 ICED CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1499154949 UCGRFDXLSFZXOO-UHFFFAOYSA-N 448.553 0.796 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)N(C)C)CC2)c1C#N 1511662625 LWLDGSUUEGXCHJ-OAHLLOKOSA-N 427.513 0.110 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1518447634 UNOWVIQBQPJTNT-SFHVURJKSA-N 439.520 0.847 30 20 ICED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1540345351 VTTHTPFIXRHYGZ-UHFFFAOYSA-N 434.250 0.989 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1570246803 KMXLAZGABCEHDR-RHSMWYFYSA-N 437.518 0.757 30 20 ICED CN1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(N2CCOCC2)CC1 1626500297 SLKDLOXWWSFPKY-UHFFFAOYSA-N 449.577 0.028 30 20 ICED CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641034070 OUPFDYDPLZAXFN-INIZCTEOSA-N 429.502 0.417 30 20 ICED C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1706901951 MNCDRTQCTPDDKV-ZTQAJYAQSA-N 449.508 0.956 30 20 ICED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1740801125 NZXFOJJKCGVZGH-UHFFFAOYSA-N 430.904 0.933 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747451554 CKQVDCUAASLBBM-WJOKGBTCSA-N 443.577 0.796 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1751278402 VFQOJINHBQJEHP-SPYBWZPUSA-N 435.554 0.783 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)O 1752281088 JWDABSYQFYPKBZ-LSDHHAIUSA-N 439.524 0.767 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1769339622 NTWQGGSVNNWRHS-UHFFFAOYSA-N 449.519 0.925 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cccc1=O 1779101477 QOEMPRFSTZPQRE-GAMXZPBPSA-N 432.477 0.358 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1779309726 CRHYLGLNDZGBSO-DENIHFKCSA-N 447.919 0.673 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394782 UCYHZLPIJZASQP-FQEVSTJZSA-N 440.416 0.712 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947038 DXYUFRDGKMQWDA-XOBRGWDASA-N 430.486 0.238 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1780331360 RTCZFUDCBRYAAC-HNNXBMFYSA-N 432.330 0.685 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362618 OEMLDYIPQWOALK-DIFFPNOSSA-N 431.415 0.840 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299795 YYDAEQDAAAVACK-PGRDOPGGSA-N 428.464 0.691 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781420876 WYMCKOWVLMLWQR-IERDGZPVSA-N 448.524 0.577 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861597 VOTRVNIEWKZIPW-QEEYODRMSA-N 442.513 0.460 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1782183580 KDVSUGQIOAYCBP-FAYLSGKYSA-N 431.555 0.662 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSc4nc[nH]n4)C[C@@H]32)cc1 1783606370 QYZMPXFDXXUROA-BZSNNMDCSA-N 440.529 0.991 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1784115221 JNCYMLGVLDSXRR-NBGIEHNGSA-N 449.507 0.939 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 1784482344 JKVCMNMMPTVULN-LSOMNZGLSA-N 431.445 0.932 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785168699 DAAYBUNKTAQJOS-VJANTYMQSA-N 444.532 0.364 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)cc1 1785835986 OAJACKRQKXZYBQ-HJWRWDBZSA-N 439.472 0.531 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1788643336 SOVLJRKKUFVHHN-XLAORIBOSA-N 435.477 0.155 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)no1 1788656977 UTDGHUCZPFLHIJ-GETUGTSYSA-N 435.481 0.429 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1789955147 FQRIMVUVWPOOCJ-JBDAPHQKSA-N 431.537 0.732 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955263 MIXWSYTXKGEZRW-UGUYLWEFSA-N 427.571 0.251 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2 1792485326 HULUHFHAOWHEGN-VLTQWEFMSA-N 431.464 0.653 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1792625728 AZTRZJQTESSQMH-YCUSNSCCSA-N 434.518 0.348 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795350482 MEKNCCFOGMHRKG-QDMKHBRRSA-N 429.477 0.388 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)ncc1[N+](=O)[O-] 1795598101 FUAYBVWLSPZZBF-JLVBRIDZSA-N 444.492 0.783 30 20 ICED 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=CCN1 1796313260 VXMYIELMZGLBIT-APAFKAMOSA-N 448.564 0.964 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1797815741 WJUIMPQALKLSJD-AJZYRFLASA-N 449.460 0.536 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2)c1ccccc1 1797876255 GQBPSGNAEHAGCB-YWQQVWADSA-N 441.528 0.836 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395845 UHTIIYRCETUCPM-YNVMFWSZSA-N 447.513 0.104 30 20 ICED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1801443715 LUKXIYZDOHCCDL-FLXSYLCISA-N 446.573 0.771 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccs2)[C@H]1c1cccnc1 1804572210 CHQZXBSYZWIUBG-FOIQADDNSA-N 440.481 0.667 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806839895 ATVJEQIEJJSWKC-HYVNUMGLSA-N 433.534 0.719 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807145425 LKSDOHAKYDKGLO-DOTOQJQBSA-N 431.566 0.996 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810348520 LYOLYWHLSXFBLS-LSWJPFSZSA-N 446.548 0.721 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNC(=N)N)[C@H]3c3cccnc3)c2c1 1812070106 XJUVPJSWPBJYNY-QRWLVFNGSA-N 445.487 0.632 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2c(O)cc(O)cc2O)[C@H]1c1cccnc1 1812880672 SGQIKOLVGGEFKZ-RBZFPXEDSA-N 425.397 0.606 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)S)[C@@H]1c1cccnc1 1813042753 BWOYEYWLGZKPNP-QVSURHGTSA-N 444.561 0.876 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1815062431 KSPVZRADCMGFBZ-IJPWRJOKSA-N 432.506 0.360 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815197601 WRFZITBYAGBDRU-GXTWGEPZSA-N 427.398 0.165 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1823089419 MHCBJZBGHHLARV-KGLIPLIRSA-N 441.554 0.143 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823116658 HVUASAHWQKZYAQ-KLFBEFASSA-N 433.494 0.876 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902709 YZGQMVATEKWMIP-XMSQKQJNSA-N 443.504 0.004 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829945026 RMAPXXMRFKWETD-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831401576 CADAOGXZYPJBCZ-HYFFOGBASA-N 430.505 0.009 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831425563 AWRPXOQTOAWQNH-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831426914 LNXWBEWQHXSMEP-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831487832 SCZBEQLHJDXSLK-WFXMLNOXSA-N 436.578 0.362 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)CC)CC2)CC1 1833074317 JTDXNYYYMLVRRY-JTGQJZMRSA-N 447.580 0.331 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833332900 CIJVJFBMXVWHPL-ZHRRBRCNSA-N 444.488 0.148 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncccn4)CCO3)C2)c1 1834296938 PITZWPADNHUZLM-OAQYLSRUSA-N 425.420 0.871 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834761353 ZARVOYFNXGSFPU-KKSFZXQISA-N 436.509 0.613 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100101 ADZGDXSHWVXTGB-FDDCHVKYSA-N 442.516 0.202 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100344 NHTYBDYQDULBMA-DVECYGJZSA-N 441.528 0.799 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100346 NHTYBDYQDULBMA-YADARESESA-N 441.528 0.799 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835338417 HLFNWXVWPKOUHN-DRSNIGMVSA-N 433.505 0.726 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835361218 GGCFOHRTHOCBME-NRFANRHFSA-N 425.445 0.709 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCCO3)CCO4)c2c1 1836225380 RRYZEYJJSAMONS-GCJKJVERSA-N 439.472 0.684 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1836859550 NJTQRRPIYZHFGC-AVRDEDQJSA-N 442.560 0.988 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836879860 FURQUFJEQLYCAX-GOSISDBHSA-N 440.566 0.491 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837446617 FZWKEVICCKZUCL-NRRYTISWSA-N 436.553 0.466 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837882755 LPNYBWOEVLCSJI-MAUKXSAKSA-N 439.557 0.379 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(-c5cccnc5)[nH]n4)CCO3)C2)CC1 1838027621 DKZMVSPRHNKCPZ-JOCHJYFZSA-N 436.472 0.845 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839224528 LSHHHQXZGIDUSM-UTKZUKDTSA-N 437.541 0.526 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839387928 AFXSEKNBERDIQQ-CKJXQJPGSA-N 441.525 0.498 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1)C(F)(F)F 1839892983 LBMBLMSVXWEYFL-SFHVURJKSA-N 439.394 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)CCO2)C1 1840140389 YHOOGICRYUINLT-XQQXVUDOSA-N 448.516 0.237 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840166192 XGSILVWRIWIJGB-KUHUBIRLSA-N 431.555 0.676 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840277455 BVBOLXIBMAWEGP-QFIPXVFZSA-N 429.473 0.776 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1840367974 NOWYWSGXFIKOGR-OAQYLSRUSA-N 433.509 0.264 30 20 ICED C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1(F)F 1840826894 BPXWZDLGOQROOG-KMYPOYIRSA-N 428.480 0.960 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840851747 QPSUQQIRDRMXFH-PXNSSMCTSA-N 427.567 0.667 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCSC3)CCO2)C1 1840862765 IPKLDYBMYCNZBH-UWJYYQICSA-N 438.594 0.868 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1841582891 XMLHFPHPMIPNJO-AWEZNQCLSA-N 434.518 0.712 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1847261248 BSPLKXKCIKAMJE-BJDURDIASA-N 449.552 0.289 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1847804379 HRNKVEOOMYLNAS-ZONLJJFTSA-N 425.529 0.862 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1=O 10854429 QCXLFNXDSSYJMM-AWEZNQCLSA-N 436.515 0.179 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 24744615 HNPXATQEVMNOIR-ZDUSSCGKSA-N 437.522 0.385 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CCN4CCOCC4)CC3)CC2)o1 110477067 MDELETSSHWWMGL-UHFFFAOYSA-N 430.553 0.938 30 20 ICED COCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)ccc21 425914587 BWSXSZWFYFMOGQ-UHFFFAOYSA-N 439.476 0.477 30 20 ICED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 432206141 FBWFODNUDFIRPD-MRXNPFEDSA-N 442.563 0.355 30 20 ICED Cn1cc(S(=O)(=O)NCCN2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 441551298 VDTQCPAHXMXFGS-UHFFFAOYSA-N 425.518 0.940 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 442899156 IWOPVIQLJWMFRW-LBPRGKRZSA-N 437.337 0.912 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 444922327 PCJKBFAYDKGUAY-HNNXBMFYSA-N 427.465 1.273 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 446395184 BXGIVMDDPAZIBL-USJZOSNVSA-N 429.498 0.688 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 464925069 YGKCDLCZTVUHAA-QGZVFWFLSA-N 432.506 0.315 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H](C(N)=O)O[C@H](C)C3)c2)c1 470993907 DKVJQQGRQPYDAA-QRWLVFNGSA-N 449.463 0.913 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)c1C#N 472869488 NIFUZTUCKMFZFA-UHFFFAOYSA-N 436.476 0.631 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 473874418 HEFPECXLMGBASN-XJEPWFOTSA-N 432.480 0.973 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c1 477801212 VHHPKLXNQUROJV-INIZCTEOSA-N 430.548 0.817 30 20 ICED COCCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C#N)s2)c1=O 484433965 PFHVCTXYPLPQQR-UHFFFAOYSA-N 431.539 0.584 30 20 ICED COCCn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCc1cccc(C#N)c1 506882939 ZISRDRCLTJBHEJ-UHFFFAOYSA-N 440.485 0.948 30 20 ICED COc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1NC(=O)c1ccccn1 511417249 VRQTZDKJGYPKTM-UHFFFAOYSA-N 427.446 0.784 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 513593059 VEQWHYQUKSKTFQ-UHFFFAOYSA-N 440.591 0.987 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)cc1 514535986 HCEDGYMEDGDSAW-UHFFFAOYSA-N 445.545 0.975 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC[C@@H]1N1CCN(C)CC1 515021754 LHFHFIWLOGBTCN-WMZOPIPTSA-N 436.520 0.562 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 516500661 YJOBHIDCFZQQTE-UHFFFAOYSA-N 427.549 0.608 30 20 ICED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CCOCC1 519038913 RQDICRFRKYANFA-AWEZNQCLSA-N 426.433 0.409 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(CC#N)CC1 524813131 DZBPITGPACFEEN-IBGZPJMESA-N 436.534 0.819 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 530318011 HMFKYNMXZZABHF-UHFFFAOYSA-N 446.479 0.895 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(C)(=O)=O 534694509 CFRUTPDMPWZRDC-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CC#CC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 541931313 SEIJRAXMIXTIAH-HNNXBMFYSA-N 430.504 0.161 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542065155 DGKOQFBBXRSRSB-CYBMUJFWSA-N 436.881 0.486 30 20 ICED Cn1ncnc1COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548042640 WEHGHKXRVVCXMU-UHFFFAOYSA-N 444.477 0.626 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 553906000 BQGNKSWNLXFNJG-INIZCTEOSA-N 446.511 0.882 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 554520192 LAUPMTCRZAQGKO-LLVKDONJSA-N 425.437 0.260 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)O1 554846634 FHTVHNIDLOOAPT-NBMRYCAZSA-N 431.493 0.687 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 557591668 FQQLYZDNDWJGRU-JKSUJKDBSA-N 442.563 0.635 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 561060835 OPJLZWGXKGSUNS-HXUWFJFHSA-N 449.559 0.887 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 573429126 BZYREJLEWNPJNQ-CYBMUJFWSA-N 435.444 0.379 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1S(=O)(=O)NCC#N 588001156 XJEXGIZTVSIUFJ-AUUYWEPGSA-N 433.490 0.390 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606062668 ZOGXDTKHBNOZEJ-UHFFFAOYSA-N 426.498 0.914 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 614258461 CBQKZGHYPHEFQB-UONOGXRCSA-N 430.494 0.647 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(OCC)cc32)CC1 676522396 JUFVTSUAKYJPPW-SFHVURJKSA-N 430.505 0.472 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763842 WADBKLABCWWOLE-UHFFFAOYSA-N 431.562 0.925 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1=O 726041995 AZACOLSWJXEUFH-OAHLLOKOSA-N 433.392 0.246 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2)c1=O 729673105 DXFNEVGVCAVZAZ-UHFFFAOYSA-N 449.529 0.219 30 20 ICED CS(=O)(=O)CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 730465071 WFVMYZPXWNZNOC-UHFFFAOYSA-N 431.561 0.169 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 737274255 BUIXKQNDGJSUKK-UHFFFAOYSA-N 437.460 0.173 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CCOC)c1=O 753787956 FABTYGOTLQCDRU-UHFFFAOYSA-N 437.525 0.939 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 762525648 MANJBWKJQHRGCV-UHFFFAOYSA-N 429.408 0.470 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCCO1 763466540 REPLJTAIAWSMJT-QGZVFWFLSA-N 444.557 0.473 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)cc1 765472433 QBDUXCOSMUFSMR-QNGOZBTKSA-N 437.503 0.794 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)cc3)c2=O)cn1 772280462 WIBJLGNLEBPUHM-UHFFFAOYSA-N 433.493 0.986 30 20 ICED Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1=O 783358659 QAEDSBKCFIRLDL-OAHLLOKOSA-N 428.424 0.707 30 20 ICED COc1ccc(NC(=O)COC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)N1CCOCC1 796145212 YVCVRUOOKXDNMF-UHFFFAOYSA-N 449.441 0.976 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cn1 801286018 IVEBVCGOVIFTDY-UHFFFAOYSA-N 427.486 0.611 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812252356 BDEVNTYMRAWMNO-JKSUJKDBSA-N 444.517 0.731 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)c2cncc(C#N)c2)s1 813981821 YKBQFQSJHHDKDV-CQSZACIVSA-N 440.528 0.981 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)NCCNc2ccc(C#N)cn2)cc1 916520947 XFWIDMNMKOSBFE-UHFFFAOYSA-N 432.506 0.789 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012156 VVNIRZHBZVZVGB-RHSMWYFYSA-N 428.449 0.743 30 20 ICED CC(C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918255332 QQRDVXIREPEEIB-KQWNVCNZSA-N 437.522 0.469 30 20 ICED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1116621115 QUQNDBARINJNOI-AWEZNQCLSA-N 429.495 0.900 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1288825764 LHSLVSWHRXFTNJ-PBHICJAKSA-N 441.533 0.195 30 20 ICED C=C(Br)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1300863150 JLSSOMFWFXMGDG-GUYCJALGSA-N 444.330 0.790 30 20 ICED Cc1nc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1C#N 1319351671 UIJAKSCZSPQUBP-UHFFFAOYSA-N 449.533 0.969 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1503622769 VFOUEFSHMPUGAU-MUUNZHRXSA-N 436.563 0.713 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505323861 JKXGMQHVIKPZCO-LJQANCHMSA-N 433.472 0.905 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541675366 IWCSJHYPQRSBSE-MRXNPFEDSA-N 449.581 0.560 30 20 ICED N#Cc1cn(CC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)c(=O)nc1O 1557037723 JCNYLNYQONFIMO-UHFFFAOYSA-N 435.238 0.453 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NC(C)C)CCOC1 1616253681 UNPXTQCDOGTHAI-LAUBAEHRSA-N 431.541 0.631 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1693885721 YXMVIADSMSZLBN-QVKFZJNVSA-N 426.477 0.595 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1710330336 RISHZASCMFPNJL-UHFFFAOYSA-N 438.536 0.553 30 20 ICED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1749254861 IGPGPJSMOKFEFK-KRWDZBQOSA-N 441.536 0.974 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823390 IJOAXCZJAABDOZ-XBHMSOGKSA-N 429.481 0.152 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552080 CWGYOHADYVOSKL-QHCPKHFHSA-N 442.516 0.808 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778956935 FMIZMYRGTUPUND-QKKBWIMNSA-N 431.468 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1779074896 DRVAWQCFYBGGBZ-HQDVTNBMSA-N 437.562 0.935 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(F)F)cc3F)C2)C1 1780142975 XVHXXOOBNSGVCV-LJQANCHMSA-N 426.347 0.959 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1781111480 HAJOMNHCQIFBDR-VVBPWWLESA-N 448.520 0.348 30 20 ICED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1782065104 RBAGVBDVKYEJGN-MBOZVWFJSA-N 432.583 0.888 30 20 ICED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1ccc(O)cc1 1782257512 HEZAOFZKLINFDO-LYHRCORUSA-N 430.501 0.714 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783197295 HGBDIAUOLFZBTG-IBGZPJMESA-N 435.431 0.986 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1785572475 LDMVANZDVDBROR-VGSWGCGISA-N 445.520 0.780 30 20 ICED CN(CCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)OC(C)(C)C 1785587392 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0.460 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCNC(=O)OC(C)(C)C)C2 1793349655 FTZSUNTXIKSGDQ-BMFAXAFESA-N 437.537 0.919 30 20 ICED C=CCO[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 1793353916 HZQJEKJBJJMHBS-KSWRQPAISA-N 441.525 0.053 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)cc1 1795323633 BEGYYNIHVMJTOJ-AFIMGQEJSA-N 426.560 0.677 30 20 ICED Cc1nc[nH]c1CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797662724 XNHYZCGPFONELF-HGKCTWBKSA-N 448.593 0.823 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797811162 JKLDAWQVTKNXGZ-CPBNWBEWSA-N 449.508 0.262 30 20 ICED Cc1noc(N)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883506 QWAGFTYCWCJZQO-FVCICTRLSA-N 435.444 0.830 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710404 HYZTVSKOKSRSIP-JLVBRIDZSA-N 448.520 0.918 30 20 ICED 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ATOTVZMDBMJYCO-CXAGYDPISA-N 438.399 0.139 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831426007 ZSCUUXVWJKSCGB-JXFKEZNVSA-N 436.534 0.616 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831431214 BHWIAJXOAFSRPD-VGSWGCGISA-N 443.504 0.319 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)CC)CC2)CC1 1833074318 JTDXNYYYMLVRRY-TUYSUELWSA-N 447.580 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)CC1 1833074510 SJLAVVPXXFYHEX-PYTPGESOSA-N 442.564 0.874 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833198790 IDSALHNDHNIJGW-ADILIXOZSA-N 446.552 0.447 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833267249 LMTMDNCKXPBAIS-GOSISDBHSA-N 425.800 0.032 30 20 ICED COC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)CC1 1834717171 PSCYQIRZGUWIBV-UHFFFAOYSA-N 447.580 0.793 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ncc1[N+](=O)[O-] 1835342298 QAFBXOYCSAYNGT-FQEVSTJZSA-N 429.433 0.672 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836845541 ZISJDEICSWEFBD-JOCHJYFZSA-N 443.504 0.782 30 20 ICED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836847615 HNSWFGNBIOUCLY-UHFFFAOYSA-N 436.534 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837769989 ITVQRXXZEVDIRE-KRWDZBQOSA-N 430.567 0.603 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)ccc1F 1838320017 BKGBSUMSCKMYIZ-FQEVSTJZSA-N 429.408 0.393 30 20 ICED Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838395136 SWZJMBSCKMWWHK-VRFIZVPASA-N 436.465 0.582 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1839176389 MQMKMOXFPMASHN-LAUBAEHRSA-N 425.526 0.292 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839223210 PLZSJJTZIVJAJE-HRAATJIYSA-N 441.525 0.976 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839227179 LTQMDFMPGFJJFA-XXBNENTESA-N 449.548 0.942 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839227827 ZMCNNHSMBCXVBL-JLTOFOAXSA-N 449.464 0.046 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420048 JPTMUBOWFLGMIE-IOUFHMPJSA-N 445.447 0.887 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722078 DBAHQFDUTGTHAR-OAQYLSRUSA-N 427.436 0.733 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C(F)(F)F)C2)C1 1840041379 JXVOFXZOKUNXEC-INIZCTEOSA-N 447.391 0.320 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c(C)n2n1 1840160497 IWSILSHWOOTTPE-LIRRHRJNSA-N 434.522 0.129 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840160963 AAOCGXFNAOVCIM-KSFYIVLOSA-N 447.557 0.807 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1)c1ccc(O)cc1 1840221370 OOFWNQNWPKYMRM-AUSIDOKSSA-N 430.501 0.992 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371857 FWRZTNRRDIISLV-NBCNXNJRSA-N 447.536 0.126 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381828 WENCSZIIEOPMCF-MRXNPFEDSA-N 431.465 0.565 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840550684 KATXWPOXHTYZSO-NRFANRHFSA-N 449.529 0.371 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840885266 WCWFRGXLIOEMKU-HPARJBSBSA-N 449.504 0.744 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c(O)n1 1841959126 RPXWCPAVHLLXHJ-OAHLLOKOSA-N 427.461 0.321 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1844235240 RSNZQHYIGKUUBF-CABCVRRESA-N 425.526 0.649 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1847081705 AZGGSPVZNRRGPH-SMASLZHESA-N 432.521 0.795 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC1CCCCC1 22621439 YPYAGXBNXUJHTQ-ZDUSSCGKSA-N 436.490 0.927 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)cc1 24493984 OQPMYWIXDJNFJW-GFCCVEGCSA-N 437.474 0.826 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 30853283 KYVORXSFNOJIEN-UHFFFAOYSA-N 428.470 0.569 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 430003079 WUNHHIVWMSNYEF-UHFFFAOYSA-N 426.481 0.292 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1C#N 435496475 KWQNOUVMONWCJD-UHFFFAOYSA-N 440.547 0.779 30 20 ICED COC(=O)COc1cccc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460587528 DFWRHJVSKOFKRR-UHFFFAOYSA-N 434.412 0.946 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1 461785422 BNNGPJMCZSVHBH-KRWDZBQOSA-N 447.513 0.857 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465418851 VEJUZDYIQHWXKQ-ZDUSSCGKSA-N 437.460 0.392 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 467419374 QPAWYZDJIJDBDS-AWEZNQCLSA-N 426.516 0.678 30 20 ICED CNC(=O)CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 472479475 PSTCOFIGHLLUDY-UHFFFAOYSA-N 447.561 0.239 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 476721523 USKXGIQEEYWDST-AWEZNQCLSA-N 442.501 0.068 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1C 479799377 BSZGLAUQJDDNFY-KRWDZBQOSA-N 442.501 0.239 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 486649948 IQPDELAYGKOVPT-QGZVFWFLSA-N 439.497 0.828 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1 502896998 TWCYJUANAZJACC-SFHVURJKSA-N 435.550 0.325 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 507285161 NQFHNOLZWURUIU-LJQANCHMSA-N 431.562 0.012 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cnc21 512145509 XTEQJSQCSHAZFO-HNNXBMFYSA-N 440.485 0.433 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CC(N)=O 515199502 QUNNLESZETULHV-UHFFFAOYSA-N 442.444 0.257 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 538031411 CIRQRBNCXLXOCB-QGZVFWFLSA-N 437.504 0.819 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 546902956 VOXYOTXUKDKLAD-UHFFFAOYSA-N 449.439 0.922 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 547271236 KXEGASUKHKMXDM-OAHLLOKOSA-N 446.489 0.734 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCn2cnc(C#N)n2)CC1 552327915 GKQRYFLGNOREEL-UHFFFAOYSA-N 447.477 0.584 30 20 ICED CCN(C[C@@H](O)COc1ccc(CCOC)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 559139929 HREFQHULDXOSNX-MJGOQNOKSA-N 427.523 0.406 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(Cn4ccnc4)c3)CC2)c1C#N 559699203 XTMYMRREPJYPJH-UHFFFAOYSA-N 446.515 0.810 30 20 ICED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 567388149 GTJMZJXUOBECPV-JKIFEVAISA-N 434.518 0.450 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1C 569312471 MBZYXJXIMTVSTQ-UHFFFAOYSA-N 443.895 0.750 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)nn1 571458479 FZKJOYVILHUWCI-ZDUSSCGKSA-N 428.453 0.690 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 577676700 OURVNFOOVVTXHT-UHFFFAOYSA-N 430.552 0.099 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1OC 615637914 DOPHQKINVIYDOV-LJQANCHMSA-N 440.497 0.474 30 20 ICED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)CNC(=O)c1ccc(C#N)cc1)n2C 727011105 YJIDWLKYZXBUMH-UHFFFAOYSA-N 438.444 0.981 30 20 ICED CCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727012032 DXBGSLHLNRXOIE-RHSMWYFYSA-N 435.502 0.645 30 20 ICED N#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 729549110 HKAIZDFHQPFEIK-OAHLLOKOSA-N 426.520 0.919 30 20 ICED CSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 739134817 DCZYJCKJKPTCDW-AFDUHFSSSA-N 442.563 0.668 30 20 ICED C=CCNC(=O)NC(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 746138611 IBGQURIEPJPRRF-UHFFFAOYSA-N 425.445 0.950 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 749253509 RKXRNORAKGXTEE-UONOGXRCSA-N 433.490 0.047 30 20 ICED C=C(Cl)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 755062648 IHAJNVCVEFTTSE-UHFFFAOYSA-N 430.914 0.581 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@H](C#N)C1 755556171 YFYQKEOUHYUNFM-TZMCWYRMSA-N 426.437 0.476 30 20 ICED COC(=O)c1cccc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C#N 756137797 JDEQVTODNFBKGR-CYBMUJFWSA-N 433.442 0.554 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 761035546 ALNUUIVIODPKKX-MRXNPFEDSA-N 433.534 0.226 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 761038729 SUJPXEDHDBLUBM-UHFFFAOYSA-N 435.575 0.912 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1CC1CC1 771556674 NHGYQORTBLNLEK-OAHLLOKOSA-N 431.522 0.997 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(C3CC3)c2=O)cn1 772300985 UJULFSSALWKKQO-UHFFFAOYSA-N 427.530 0.976 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)c2)CC1 782129784 OZTDJLJRFSDLLO-UHFFFAOYSA-N 442.501 0.144 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784547196 MOQGFQOSORPOTF-HOTGVXAUSA-N 433.486 0.813 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1 789331687 FRRXLMZJALNMJW-UHFFFAOYSA-N 434.500 0.712 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1=O 794228367 ZJYHILRQSOGXNU-NRFANRHFSA-N 428.445 0.881 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 796123504 XBZRBPPGUQTPAB-GOSISDBHSA-N 432.525 0.222 30 20 ICED Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 797537205 CNXDFCIJEWRUIM-UHFFFAOYSA-N 429.521 0.845 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801286540 HDOKOVACJNFYLI-UHFFFAOYSA-N 431.474 0.580 30 20 ICED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 804743323 UAFMRUAEUDDCRB-ZCXUNETKSA-N 440.909 0.959 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2=O)cc1 808237334 LHGIPOLFIDYIIJ-ROUUACIJSA-N 426.473 0.529 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)[C@@H]1CCCO1 809304756 PVUMDXQCDHJMEA-QUCCMNQESA-N 426.517 0.683 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814065385 CIQPUKBJLHTPLY-UHFFFAOYSA-N 430.461 0.933 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cn1cc(Br)ccc1=O 816129598 DQNWUFFEFOELLB-UHFFFAOYSA-N 441.219 0.896 30 20 ICED C#CC[C@@]1(C(=O)N2CCC(NS(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 816467890 RNUWRTNZLIMSGQ-IBGZPJMESA-N 428.555 0.824 30 20 ICED COCCn1nnc2c1CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 817827546 ORFSNRSIMFFBAJ-ZDUSSCGKSA-N 432.506 0.327 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 914899323 JUFLNICGTKPLDZ-UHFFFAOYSA-N 438.506 0.791 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)o1 915389254 SMCULIAVQLOUFK-AAEUAGOBSA-N 443.382 0.504 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 916774244 KEWHDFVIVFGIKA-UHFFFAOYSA-N 425.444 0.291 30 20 ICED CN1CCC(C#N)(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 918782947 XXAFWYPNCDSNSV-HNNXBMFYSA-N 432.502 0.728 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nc1 1190349027 PXWZDYAFHXCVDT-UHFFFAOYSA-N 433.534 0.163 30 20 ICED C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286547959 RMQOCICKBFHGOB-UHFFFAOYSA-N 440.306 0.059 30 20 ICED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1504758833 ITLIZELWKSLKRC-OAQYLSRUSA-N 428.493 0.795 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1539600636 SVGUSUXZFNFGGO-VXGBXAGGSA-N 432.344 0.804 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1555988683 LNDAVCVATWRPOD-GOSISDBHSA-N 437.504 0.767 30 20 ICED N#CC1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCCC1 1623707713 IKYBWPKSIQXBOG-UHFFFAOYSA-N 433.534 0.835 30 20 ICED 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CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102516 UWABJFUFGJMYEN-UGKGYDQZSA-N 432.542 0.609 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1835682844 WRHQTOITLFUPDY-MDASCCDHSA-N 430.908 0.649 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835714360 LKYZWVNVUCIUFE-GOSISDBHSA-N 436.553 0.583 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1835821489 VRPPQLWTFKZMKQ-ZWKOTPCHSA-N 434.581 0.901 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169453 RXMRTFUMYVIFKU-MRXNPFEDSA-N 438.536 0.999 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256425 LPTVLHXNHDIVGK-GOSISDBHSA-N 448.277 0.195 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845542 DITIJAYYFVYMOF-UQQIOGDDSA-N 433.484 0.762 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]cnc4C)C3)C2)c1 1838581988 YWEOYIRAOFDSIC-JOCHJYFZSA-N 439.472 0.982 30 20 ICED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1 1839053188 HUOJSMIBRLJQCO-QFIPXVFZSA-N 445.472 0.092 30 20 ICED CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132847 SHJAYVVDXJLWRQ-JOCHJYFZSA-N 429.473 0.545 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1839174585 KZRYLSKRDBQQCN-QFIPXVFZSA-N 449.479 0.729 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839174638 OYHSLRXQQJFUJG-NRFANRHFSA-N 449.460 0.072 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839227923 NGFZPAUIIKGISA-IIBYNOLFSA-N 449.508 0.372 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3cccc(Cl)c31)CCO2 1839743140 XWVYMMUVLFWUNI-OPAMFIHVSA-N 446.887 0.914 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)cncc3Cl)C2)C1 1840040703 UNJYTTGGBYBXOS-GOSISDBHSA-N 442.255 0.546 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)C2)C1 1840042448 VZBKVZAICCSEPN-FCIYXJNOSA-N 442.493 0.419 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970883 WLJSSQRCYBOCNW-UHFFFAOYSA-N 433.468 0.965 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846644313 PYHQWPUIQUELOK-LSDHHAIUSA-N 433.513 0.907 30 20 ICED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)NC(=O)OC(C)(C)C 1846936784 IUVSDUOAZKXSCD-CQSZACIVSA-N 433.509 0.925 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1847069720 QMWYPDYBUCCGHE-AWEZNQCLSA-N 445.524 0.440 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1847804130 DWDQVFCSSHZVPM-XSLAGTTESA-N 442.516 0.862 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)cc1 25841948 QDHOIOIEKGRZST-UHFFFAOYSA-N 435.527 0.577 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCO1 409507519 OGLCACHVLIODTH-AWEZNQCLSA-N 435.466 0.452 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 410160212 DDIZIFNQNSQYIU-QWHCGFSZSA-N 431.540 0.238 30 20 ICED C=C(C)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 427040714 LBKSIWGEQPVUHX-UHFFFAOYSA-N 436.534 0.939 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 428211453 UMELEEHSKADRGJ-UHFFFAOYSA-N 425.449 0.542 30 20 ICED CS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 429402300 HBAACOHSJGCIQQ-OAHLLOKOSA-N 447.517 0.821 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(C#N)s2)C1=O 435474368 NICIIXSRBXHKGB-UHFFFAOYSA-N 433.471 0.913 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)cn1 439976859 LXBHWXRHYROWRH-UHFFFAOYSA-N 426.355 0.477 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSC 443560937 CZYDXJIDEPCNPM-UHFFFAOYSA-N 435.575 0.052 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CCN2CCOCC2)c1 465238991 DTLBZTCGWZUKRU-MRXNPFEDSA-N 425.497 0.620 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475162276 MNINZUBNWBQSFX-UHFFFAOYSA-N 441.488 0.904 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccon1 480948433 FYHQNKKWGPXMBS-UHFFFAOYSA-N 436.449 0.480 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)c(C#N)cn1CCOC 481447623 DNZBRZRNMAVVIS-ZDUSSCGKSA-N 428.467 0.118 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481782226 DOEWAEZHZLCGLQ-AWEZNQCLSA-N 442.563 0.498 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNC(=O)NCC)nnc12 484204103 RWIXOMNVOIXLGR-UHFFFAOYSA-N 429.506 0.758 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 487148909 ARRUBGQZFRFAHF-FQEVSTJZSA-N 438.532 0.609 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@H]3c3ccccc3)n2)cc1 492679315 VFDNCJKQWAYNEC-GOSISDBHSA-N 429.440 0.836 30 20 ICED Cn1ncc2c(N3CCN(C(=O)Cn4cc(C#N)c(=O)c5ccccc54)CC3)ncnc21 502641560 OTQXLYCZCVTVIV-UHFFFAOYSA-N 428.456 0.899 30 20 ICED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003473 OSHMIFPFCNWWMV-HXPMCKFVSA-N 446.510 0.587 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cnc21 517477184 YEYQDMCWKJYAAF-UHFFFAOYSA-N 443.441 0.914 30 20 ICED N#Cc1ccc(SCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 522858916 HJCPFPCJTYPOSS-MRXNPFEDSA-N 436.559 0.098 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)nn1CCC#N 527107840 QEXVPUYUIFFBNA-UHFFFAOYSA-N 437.504 0.999 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 532900043 FDECRINWMUKIRP-MRXNPFEDSA-N 431.541 0.036 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)nnc1N1CCOCC1 544244667 DDIXRBYEGAFILS-UHFFFAOYSA-N 449.493 0.584 30 20 ICED COC(=O)c1cn(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 551643342 ARMDXEJHDYSFOE-UHFFFAOYSA-N 440.420 0.716 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)CC1 551750789 WHHLXXLHDSDGHP-HXUWFJFHSA-N 447.605 0.987 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 554413174 DNKZZGNKSACSCH-UYAOXDASSA-N 442.564 0.855 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCCO1 583462155 WNKLILJGXSIFHX-KRWDZBQOSA-N 431.512 0.963 30 20 ICED COc1ccnc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 604180056 VLQIRVURVDPGTP-UHFFFAOYSA-N 430.490 0.326 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 608912662 ZDHLZMBASWJIDV-UHFFFAOYSA-N 440.525 0.309 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@@H](C#N)C2)c1OC 609268671 ORGGDBSRSWBBEN-ZDUSSCGKSA-N 425.463 0.089 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1C 609416857 UHYHRUGLAAQXCQ-UHFFFAOYSA-N 438.553 0.740 30 20 ICED Cc1ccc(O[C@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C)c1 609965194 IUZARSSPNVNGKQ-MRXNPFEDSA-N 425.489 0.689 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)cc1 727767223 RDYZZKPYGIFHGJ-UHFFFAOYSA-N 443.514 0.875 30 20 ICED N#C[C@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1CCS(=O)(=O)CC1 732909567 CIMLEZGXCZHPKJ-MRXNPFEDSA-N 442.497 0.702 30 20 ICED CCCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909985 IMPQOYDCJYWSAW-FUHWJXTLSA-N 431.514 0.958 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 743629567 VZBNPOBPQABGHV-LTGZKZEYSA-N 433.494 0.431 30 20 ICED Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)nc2n(C)c1=O 751645827 UMYYVISLOWVLDB-CYBMUJFWSA-N 425.426 0.528 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccccc2OCCOC)c1=O 758076094 LWLCXRJXFSIMEE-UHFFFAOYSA-N 439.537 0.988 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC(C)C)c2)c1=O 758076983 JTBLAXCUKVAVPD-UHFFFAOYSA-N 439.537 0.986 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C#Cc3ccc4c(c3)OCO4)CC2)CC1 762204636 JYGMRVUQCQUJFN-UHFFFAOYSA-N 426.517 0.464 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766052318 OIABJNNLFDIEJT-UHFFFAOYSA-N 443.441 0.918 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767552910 YVQOMXVGOQTQSA-HRAATJIYSA-N 430.509 0.892 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782909560 YAVAVCJHCSKADB-JKSUJKDBSA-N 438.477 0.971 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 783478211 BEENETWQTLSDEQ-SCTDSRPQSA-N 447.557 0.883 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(CCC#N)CCN2CCOCC2)n1 786714921 BUMUCOZNJIQWND-UHFFFAOYSA-N 426.543 0.706 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787607051 BBUFSHCPIZJUDK-ZDUSSCGKSA-N 439.490 0.866 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)O[C@H]1CCCN(c3ccc(F)cc3C#N)C1)c(=O)n2C 789474093 OVIOOLDVPLXSRA-HNNXBMFYSA-N 440.435 0.657 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790437568 KHCUZPJZVCSMDP-UHFFFAOYSA-N 429.527 0.350 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(C)C)c2=O)cn1 794578830 FNKPLQKVEVGEGZ-KRWDZBQOSA-N 444.557 0.907 30 20 ICED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N 808237222 HDSKHRZWIYEEDB-IBGZPJMESA-N 431.452 0.972 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 809308089 GCLIHKQKYKYSDF-MSOLQXFVSA-N 437.493 0.346 30 20 ICED COc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1C 810428642 IKDXXYOIYVRFQY-PXLXIMEGSA-N 434.478 0.819 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)N(CN1CCN(C3CC3)[C@@H](C#N)C1)C2=O 812283705 NJOBFQNTGGHZAJ-KKSFZXQISA-N 432.525 0.938 30 20 ICED C#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 816670714 CUZAWZSIQWSYLC-OAHLLOKOSA-N 434.518 0.027 30 20 ICED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 817819743 RDXSBIAKHVJJBD-UHFFFAOYSA-N 441.897 0.007 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 831748905 RJSDJSCGTSGNQE-BFUOFWGJSA-N 438.506 0.909 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCOC 838226175 XIDJAPFLCNFSAQ-UHFFFAOYSA-N 436.559 0.367 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 838233483 ODJXXELMHLWOQI-UHFFFAOYSA-N 445.497 0.321 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1=O 917452425 UYEWARAKCHECRI-UHFFFAOYSA-N 429.452 0.098 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 920001867 ZNCKHCJCGORVIK-HUUCEWRRSA-N 436.534 0.505 30 20 ICED Cn1c(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)nc2c1c(O)nc(=O)n2C 920372785 ZHCWQFFKDXLGQW-UHFFFAOYSA-N 446.493 0.435 30 20 ICED COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301835297 OKWLPRRBDPPFTP-MRXNPFEDSA-N 431.522 0.420 30 20 ICED CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313500837 WKKWITVOQRULDX-UHFFFAOYSA-N 429.529 0.581 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1324631664 KVELGXOIYLZRMQ-OAHLLOKOSA-N 434.474 0.157 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1513975760 SLXHNJRHBDJBJZ-NVXWUHKLSA-N 428.518 0.966 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1554504125 URHHJCDDHAFORF-SJORKVTESA-N 443.533 0.613 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c(OC)c1 1630908183 NNSHIRXZPQUKHQ-UHFFFAOYSA-N 441.444 0.212 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1692538347 HVCMBSUVXZDFIP-SFHVURJKSA-N 436.520 0.740 30 20 ICED CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1692619757 OHFXFTGBXMBEEG-INIZCTEOSA-N 426.543 0.776 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710458235 TVAGXLMOWQOSKS-NHCUHLMSSA-N 449.531 0.536 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CCO1 1750015537 NYFFMSSTEXKSFF-IBGZPJMESA-N 439.520 0.930 30 20 ICED CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1750979394 IVWHKAHSWSEJRM-KDOFPFPSSA-N 425.559 0.933 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 1751279313 YUHBBJUZPLSYOS-HNNXBMFYSA-N 438.554 0.778 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1751573389 ZSXMFNPRSUNXEZ-QGZVFWFLSA-N 434.522 0.786 30 20 ICED CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764577240 SGQPYIAIDPWZBB-MRXNPFEDSA-N 441.540 0.548 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778053844 TXBPRDQRUZRIFT-GXJJEBCYSA-N 428.533 0.504 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118138 VQVHSVGBCVZSKD-OXQOHEQNSA-N 427.567 0.700 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1779063366 VZWOOLLJUKQTSY-QFIPXVFZSA-N 430.505 0.571 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779065089 MTYLDSMXLXNIIQ-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1779065145 SGFAFPGGQQDQFP-HSZRJFAPSA-N 443.500 0.538 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779084054 GZDQJCAHPGZKJD-IFMALSPDSA-N 447.919 0.172 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1=O 1779099181 BGLROBOPKBEQRD-SFRQHRMHSA-N 432.477 0.358 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779225405 LSPIZHSPLPXROX-KTKBHDFHSA-N 444.532 0.194 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779339114 COJOXWYPAVIZSV-KYFSNAEOSA-N 442.578 0.651 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780038176 QETVJURDERVVPO-OPAMFIHVSA-N 438.488 0.767 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(C#N)c1 1781175181 BCGJPRCNLHIEKI-NRFANRHFSA-N 449.529 0.374 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781399696 FITHZCRDQTXKTO-FZKQIMNGSA-N 442.563 0.478 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)CSC3=S)C2)CC1 1783246477 WJXIITGXWWCREN-BFUOFWGJSA-N 436.559 0.664 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)/C=N/O[C@@H]5CCCCO5)CCO4)C3)(C1)C2 1783442952 CICYMPDPXGWONY-WKXZVRHJSA-N 449.504 0.689 30 20 ICED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1783520991 XYVYCFUMXWAFLL-IHRRRGAJSA-N 435.554 0.455 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1784603521 SPWKHWPWSZTXHM-DJJJIMSYSA-N 429.868 0.903 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1785224898 AVKHTWNBGRILSN-FQEVSTJZSA-N 435.477 0.976 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1785572543 OJBTZZGWFKQYHX-HOIFWPIMSA-N 437.537 0.750 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1785574840 UEGSRHZGXIRXIA-VGOFRKELSA-N 436.553 0.685 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)ccc21 1786696093 XNMFJUBBMSTZRY-BXWFABGCSA-N 437.500 0.774 30 20 ICED N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccccn1 1786869732 SIYCJCWZHBBTTF-GHVIVCLRSA-N 428.537 0.533 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1789957154 IOESHZSLWNKDLS-YPTDYUDTSA-N 427.498 0.383 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237164 BMFBIMVHCPCPFN-QCQGSNGOSA-N 445.632 0.781 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)c(O)n1 1794205821 TVURFGWMNQELKV-IVSAIRAKSA-N 441.488 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796368955 OJQHEHZCONGXSA-UNLPWUIWSA-N 438.528 0.149 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797587894 RMHTTXYUFOCRRS-SFNKJDCFSA-N 430.461 0.020 30 20 ICED CC(=O)O[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 1797595009 GNHSQRCYENSHHB-PUJQEOOYSA-N 439.509 0.693 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1797648456 CQJRCUOIDINZOH-USYVTKNRSA-N 436.505 0.839 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl)n1cnnn1 1798593638 YPDMJLAXLCITJE-DPYKFYPSSA-N 429.868 0.663 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H]3CCNC(=O)C3)C4)c2c1 1799885367 DZBMXNPKPWTXJR-ZTENYAIWSA-N 436.472 0.164 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)c1ccc(O)cc1 1801056216 NYOQXWSEEOOHQO-DBHNTLKXSA-N 438.484 0.355 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801366879 XTKNRWYAVBGQLU-RPAALFJESA-N 446.504 0.968 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801572575 QWKBJVYJMYMPJG-VHMGRHBESA-N 436.553 0.978 30 20 ICED N=C(N)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807055616 RSGRBYYITMGUKT-YLJYHZDGSA-N 426.521 0.269 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1810793665 GOLJBVOXALHBNM-ALKREAHSSA-N 437.456 0.928 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812934316 YTKCKIGOTYUYJS-AVRDEDQJSA-N 447.488 0.245 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814066602 IWHSBUDHTWTZJB-DYESRHJHSA-N 436.472 0.706 30 20 ICED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1818798107 AFIYGCPJLZQJRX-OAHLLOKOSA-N 447.609 0.584 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819950004 ZFRQDHMHQYTXLF-CCXWKKPASA-N 444.473 0.365 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOC2=O)CC1 1824330727 VLBDUHIPSXHFAR-MJRGOJFPSA-N 432.521 0.917 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)CC1 1828491714 PXLJYNRVSOIEAK-DENIHFKCSA-N 446.592 0.809 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCN2C(=O)OCc1ccccc1 1828595522 UUZFLDBXBVDMKR-GAJHUEQPSA-N 440.500 0.583 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCN2C(=O)OCc1ccccc1 1828644188 YVTZGKJZIDERHI-JOCHJYFZSA-N 436.472 0.514 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898388 BEMHDWJQAGKBPL-WZONZLPQSA-N 425.485 0.595 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829918963 KFPPODSFIHWWPH-WMZHIEFXSA-N 434.533 0.711 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1831221462 MKHKXSMHHZLNSX-QFIPXVFZSA-N 426.448 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831396875 RZUSWRCGRFQTJJ-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831425260 ATOTVZMDBMJYCO-GUYCJALGSA-N 438.399 0.139 30 20 ICED N[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835098687 OLOYIPQOCSUFEX-DHLKQENFSA-N 448.523 0.980 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1835100563 ZVWWPSOTAXPIIH-DYZUWXGSSA-N 437.540 0.835 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835122557 HYDJYKYDAFIJCC-ZDSQJECRSA-N 448.612 0.897 30 20 ICED COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835340622 CFZMPHDNWZFVJM-QFIPXVFZSA-N 428.489 0.783 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835751268 GMZGNGVVMIRUAU-NRFANRHFSA-N 428.577 0.785 30 20 ICED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cs1 1835796003 RLRZNCSGIFUDQI-WMTXGSMFSA-N 433.490 0.507 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837118076 TUBDTIGQCBVZFU-SFHVURJKSA-N 432.521 0.777 30 20 ICED O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837320834 CITNIVLXEUAOTF-NAJSETDRSA-N 435.480 0.892 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837490594 IDCJENOOJXOPOU-HSZRJFAPSA-N 445.491 0.989 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625748 JNBMHUPCMJKUKC-JXFKEZNVSA-N 436.534 0.431 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1837968080 XQPJLEYCRORRLF-UHFFFAOYSA-N 441.467 0.996 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)CCO2 1838589349 NXUFBIKBDSMWIQ-MWTRTKDXSA-N 441.484 0.889 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595299 LHPLJJNYYXKPCH-HXUWFJFHSA-N 444.879 0.724 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)c1=O 1838905526 KFDIJWPCAFNVPK-HSZRJFAPSA-N 436.468 0.641 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn1 1838906474 LSDLMVKHHXULET-QFIPXVFZSA-N 437.456 0.741 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cnnn1 1839422246 KCLKUBXDYOBIRG-VLIAUNLRSA-N 443.439 0.015 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3F)C2)C1 1840043359 TYFRCDLVMANFPG-OAQYLSRUSA-N 429.404 0.465 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840922148 ABZNSFIZMYAYGN-VKUXZERMSA-N 437.562 0.444 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 32831837 SODRUZZQDFBMKY-NRFANRHFSA-N 448.545 0.978 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(N(CC)S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410414387 RMPPNKOSBRPWTN-CVEARBPZSA-N 448.615 0.445 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 429931521 TTXOXRHIOBOROC-ZDUSSCGKSA-N 427.552 0.968 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)NC1CCC(Oc3ncccc3C#N)CC1)c(=O)n2C 438610716 WJQUXBWEDBDTDJ-UHFFFAOYSA-N 437.460 0.207 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCOC1 441947959 KUSNCPFFKOJVIQ-HNNXBMFYSA-N 447.582 0.972 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 444474572 IHWPXXQOAXOAJN-ROUUACIJSA-N 435.502 0.484 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 447195319 WLSAHOHNZSOTPX-WBVHZDCISA-N 425.507 0.283 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)C1=O 464280794 HJICOGQVSWZFKZ-LBPRGKRZSA-N 430.417 0.283 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 471151751 NGJUZHNDQXKOPP-UHFFFAOYSA-N 438.506 0.807 30 20 ICED COc1ccc(CN2CCN(C(=O)CN(CCC#N)CCN3CCOCC3)CC2)cc1 471221413 UHFPSMZPKHTFQW-UHFFFAOYSA-N 429.565 0.887 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H]2CCCO2)cc1 471298907 WGUIDPMDJCVMMN-DLBZAZTESA-N 434.518 0.452 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472281729 SDUHCQBWSMZHJS-INIZCTEOSA-N 430.534 0.924 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 472667939 KQKUMQOXLJDORA-WBAXXEDZSA-N 448.524 0.687 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 477167200 SHVKLZGGNMKTJQ-UHFFFAOYSA-N 439.494 0.975 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)ccc1[N+](=O)[O-] 478839307 NAVGWULGPBFJBH-ZDUSSCGKSA-N 429.454 0.862 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCCO2)c1=O 478851157 UIKSUYJJFAYOQW-DOTOQJQBSA-N 442.541 0.711 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(S(C)(=O)=O)CC2)cc1 484936195 MTVKYYYCVNGWRT-UHFFFAOYSA-N 429.520 0.125 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1F 489513579 PUEOBVOHHQOXLB-UHFFFAOYSA-N 432.481 0.835 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1=O 500369814 WKZHCFYCHCCIFZ-IBGZPJMESA-N 434.452 0.700 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(F)(F)F 507071356 UTFBKXUPFONPMN-LLVKDONJSA-N 437.444 0.992 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513565917 MATJFSOQHIWSHF-GFCCVEGCSA-N 434.453 0.362 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 514488577 BIYQBYHDSSOIBL-UHFFFAOYSA-N 433.490 0.207 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CCC2 516171090 FMDCPUVRILEHAL-SFHVURJKSA-N 437.504 0.639 30 20 ICED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CC1 519302751 ODRSDBQTGWECTG-CALCHBBNSA-N 429.587 0.318 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3csc(C)n3)c2=O)cn1 523182748 ZMUHKABMPBMWMC-UHFFFAOYSA-N 428.543 0.908 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1C 527030577 PBNOKODNHDJKLD-HNNXBMFYSA-N 441.509 0.211 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 537794057 VLNOFARGRHRZGL-ZDUSSCGKSA-N 426.458 0.748 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O 542221255 WHXJTEHMZFPYQU-UHFFFAOYSA-N 434.861 0.685 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1=O 558005422 NHPDMGQQXAICIB-UXHICEINSA-N 428.533 0.291 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 561413863 KAPHMPSNFCDGJN-UHFFFAOYSA-N 433.597 0.594 30 20 ICED Cc1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1S(N)(=O)=O 567606729 MLZMLWGAAXLMOT-CQSZACIVSA-N 429.506 0.724 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2OC[C@H]2CCOC2)cc1 577111354 PSWZTUZYFRZDRT-INIZCTEOSA-N 430.486 0.963 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CCC(F)(F)F 589041319 UZTBFPLVGRWPHD-UHFFFAOYSA-N 426.443 0.992 30 20 ICED Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 609970184 ZCMTXTXJIRWXBV-UHFFFAOYSA-N 436.447 0.914 30 20 ICED O=C(CNC(=O)c1cccc(F)c1)NCC#CCNC(=O)CNC(=O)c1cccc(F)c1 680369621 QBEPZTKMVWFCOO-UHFFFAOYSA-N 442.422 0.360 30 20 ICED Cn1nc(C(=O)NCC#CCNC(=O)c2cc(OC(F)F)n(C)n2)cc1OC(F)F 681341322 WQWMWROHSOFNSA-UHFFFAOYSA-N 432.334 0.520 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 728533087 VIJCEWMDUJXXPD-UHFFFAOYSA-N 426.926 0.098 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 733364961 WOLNMWFDWCSXMT-UHFFFAOYSA-N 438.525 0.168 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnnn2C2CC2)C1=O 742212950 APISVHHKQBHBDP-CYBMUJFWSA-N 428.478 0.375 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ccccn2)CC1 744882073 LNSOLTMQYCPPBB-UHFFFAOYSA-N 442.497 0.962 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 747993188 AGSVEYRNQQVAQN-UHFFFAOYSA-N 448.545 0.644 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)Cc2ccc(OCC#N)cc2)CC1 750349420 YSZWHTQXIXTECB-UHFFFAOYSA-N 430.505 0.734 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CCN(C)CC1 767884821 MSDVEYOWXOHQEX-UHFFFAOYSA-N 447.586 0.289 30 20 ICED NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 769585434 MODXDKINJHEQSP-ZDUSSCGKSA-N 428.536 0.175 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)c1 769745099 XDTYVMZYRFOKQQ-PGMHBOJBSA-N 437.503 0.794 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 772309975 CCHUXYYWANKESN-OAHLLOKOSA-N 425.514 0.369 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccc(C#N)[nH]2)cc1)S(C)(=O)=O 773643031 HLNKYRGPQSGDSM-UHFFFAOYSA-N 426.476 0.421 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 774030016 XXULQNOJGSIBKQ-IFXJQAMLSA-N 425.507 0.570 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc2S1(=O)=O 776136475 NBKOOIUOMFNQIQ-UHFFFAOYSA-N 429.476 0.087 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1cccc(F)c1 776492184 MEZXFJZAHBMCFD-ZCXUNETKSA-N 426.408 0.901 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NS(=O)(=O)CC1(C#N)CCCC1 779320770 CDNARFCBFSNONY-UHFFFAOYSA-N 443.493 0.394 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)nc12 782750589 ZZWSDXUWVOGDSI-UHFFFAOYSA-N 433.402 0.277 30 20 ICED CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785083185 CSHZNCBDIMMEIB-XLNRJJMWSA-N 447.521 0.615 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)c1ccccc1 786289364 UXELJZBGDOWMHJ-AWEZNQCLSA-N 429.454 0.767 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)c1=O 793598168 MPJRPQUWHISFCP-JOCHJYFZSA-N 426.473 0.318 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)cc1 793738150 RSLRTXIXYRDKFM-HXUWFJFHSA-N 436.516 0.980 30 20 ICED COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 796141749 KBVVVKXGADRBGN-UHFFFAOYSA-N 432.231 0.816 30 20 ICED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 802444214 WBNBFQPKZIJWCW-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CCOC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 808174502 SWCQXJYLNDBGQK-QGZVFWFLSA-N 427.461 0.471 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 812093337 SFWICYQBTMLXNS-UHFFFAOYSA-N 434.522 0.847 30 20 ICED C#Cc1cccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 844143667 FLTMKWWUOGFWPN-QGZVFWFLSA-N 443.481 0.990 30 20 ICED Cc1ccc2ncc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)c(=O)n2c1 915385764 ITGLWOPOCCNQCX-UHFFFAOYSA-N 436.428 0.677 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 916200183 XSSPGSIVIHQQTO-UHFFFAOYSA-N 435.452 0.196 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 917662035 VLEBOKDHRNWXKP-MRXNPFEDSA-N 443.570 0.868 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919666303 KBKHHVMNEKSAHY-UKRRQHHQSA-N 435.458 0.095 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1288808950 ZJLJHYFQYHOSAH-HUUCEWRRSA-N 425.559 0.349 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303004194 OCMDXRREPQCVQN-MCIONIFRSA-N 443.430 0.221 30 20 ICED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1315195222 KGEWUHPIKCTKIK-USXIJHARSA-N 439.586 0.736 30 20 ICED CCc1nn(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1CC 1318407214 FCARHVNNRQAZLD-LSDHHAIUSA-N 436.534 0.434 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359143172 VRZBTCXKUSYVHG-CABCVRRESA-N 432.978 0.942 30 20 ICED CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1360715638 WXZJFUACGUCORW-JONQDZQNSA-N 426.543 0.678 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1593886105 QVSIWABVXVYOLG-STQMWFEESA-N 432.934 0.030 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)C1 1698484316 PTTHCIIGHYCXCF-DNVCBOLYSA-N 440.545 0.469 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1705997914 RHSLMLCPPPYWKJ-NRFANRHFSA-N 426.477 0.549 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1743208629 PHFAOUXFMVPCGZ-AOMKIAJQSA-N 439.520 0.462 30 20 ICED Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)o1 1751495005 KPEQUWDLPOPZEY-MRXNPFEDSA-N 433.538 0.915 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CC(=O)N(C)C)CC2)c1C#N 1751827600 INMJLUHJAXAFIK-UHFFFAOYSA-N 434.508 0.669 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779099071 PIJRFWPZDIEOQH-LFQSBUTJSA-N 440.566 0.394 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1779183823 OGWJVSSQSAPFJH-SKPFHBQLSA-N 440.544 0.606 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1779365871 SQKMSPVDAAYWPX-VXCQTLHCSA-N 429.521 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)C=C)C1 1779528889 ULGVYIIFXIZWDW-SBBPMPNCSA-N 432.521 0.049 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779560650 YKQNJANEMVRFFO-FRQCXROJSA-N 431.480 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C(=O)OC)CC2)C1 1781810823 ANZYUPYWMYFADU-BDGDHSELSA-N 433.505 0.312 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782481005 AJFOYGCDKJVBHP-STXHMFSFSA-N 437.566 0.984 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(O)n1 1783155133 AVRHVONBMCUFSW-NYHFZMIOSA-N 428.489 0.485 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783252411 DPCCIHBXNSYEKI-PRCFCKQXSA-N 441.484 0.407 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783904878 CYSHYLQANFLSHF-VGOFRKELSA-N 437.537 0.896 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)c(C#N)c1 1784343059 UPRPMAGKEHNIDT-QFIPXVFZSA-N 438.488 0.621 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1784493830 IDRCVWONXDJLFL-KKUMJFAQSA-N 435.443 0.627 30 20 ICED Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784726131 LASAWZLDZPPLEP-YHAVACHASA-N 433.509 0.851 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562354 LCOIFKCNFIWDEL-TUFLPTIASA-N 427.501 0.169 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)c2ccccc2OC)C1 1792815291 WDOKPFBNYFYONV-OPMZPASUSA-N 439.512 0.770 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1793349057 FBWPADCZMSDSMS-JLVBRIDZSA-N 429.477 0.621 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984273 LSDUVHBHASWQNM-YVSFHVDLSA-N 448.568 0.804 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)no1 1796418834 WSUACLROAWGXAR-NLMZJMMYSA-N 446.508 0.373 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445183 KBPULIOCYGKIBA-OTBHWVCDSA-N 433.530 0.943 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2 1797811103 GWLLQFIDGSSTNR-OOZVSQCVSA-N 431.489 0.839 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797927066 RJTQFSXQYGKWHB-PXMHQDALSA-N 438.525 0.410 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798578350 DFGWWRDEWYKMQO-KUZCPNRJSA-N 443.504 0.478 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1799281554 IYKOQCKTZWQZDL-JYYAWHABSA-N 425.445 0.417 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1799304071 LGCVYIQWUYRPPH-LJCCNALRSA-N 431.489 0.508 30 20 ICED C#CC(=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 1800452515 NUENENPPZFERGT-PZPPHJHLSA-N 435.521 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1802487105 FSHLBNWWYQXIRB-LNGTVFGOSA-N 435.484 0.893 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808639003 IIRSDTLWDLEKKU-OXJNMPFZSA-N 425.445 0.332 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1814012565 NYRQTLBXEKSXOJ-AWEZNQCLSA-N 437.481 0.659 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814036052 XMCRCGZFFZKZQV-SJLPKXTDSA-N 438.488 0.908 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1814199508 YUSZTBLPPGUPEZ-DKZVUGQWSA-N 448.479 0.994 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1828029449 VNYQJDTYXZKPEB-ZDUSSCGKSA-N 438.473 0.692 30 20 ICED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)c(C#N)c1 1828326324 MONGMONKVOGRAJ-CYBMUJFWSA-N 442.501 0.846 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)cc1 1829901966 GBJGQOJXUJAOFK-NRFANRHFSA-N 441.513 0.910 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)cc1 1830592956 YOGJMUYJXACWBD-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1831396829 LNVNYKUDHRBCGX-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1831427592 UBQPQGDGFWJJST-AOMKIAJQSA-N 447.488 0.529 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166853 SMRJFEZTGOLMDN-GJZGRUSLSA-N 430.370 0.968 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)C1 1833048720 RLGRUCAXZMPBKV-UHFFFAOYSA-N 440.548 0.778 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn(C)nc3OC)CC2)CC1 1833463674 SJVLMKDMFHJBGT-INIZCTEOSA-N 431.537 0.652 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn(-c5cccnc5)c4)CCO3)C2)CC1 1833619789 HQZZRZSATSRITO-JOCHJYFZSA-N 436.472 0.641 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834084283 FLBKFOQRBRLRKR-KDGIGMFRSA-N 447.492 0.384 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1834526860 AHSOKSAXJXGYLE-HLQTZPMBSA-N 446.508 0.027 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834527268 OKZHJGLBBNBXNO-HRAATJIYSA-N 434.493 0.128 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ccc(F)cn45)C3)C2)CC1 1835346609 JVDRSFWDISKTPH-NRFANRHFSA-N 427.436 0.847 30 20 ICED Cc1nscc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672762 MOJIWQUTSNMLIE-HXUWFJFHSA-N 435.550 0.803 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1835675506 SPAGPQYILPSRCP-OAQYLSRUSA-N 432.477 0.201 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c(C#N)c1 1836479332 HHLMACYZJSAHAG-REWPJTCUSA-N 440.500 0.094 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837396868 NWFRWSAUHHPDAZ-PGRDOPGGSA-N 443.504 0.372 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486945 UVRDPVJDDZDJTH-HSZRJFAPSA-N 434.533 0.757 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658922 FLQNFXHPHFNQMI-UZUQRXQVSA-N 446.548 0.955 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837943448 IKKOGECGWYNQEN-HNAYVOBHSA-N 438.506 0.199 30 20 ICED Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838204234 IKFDQAXUDBKEFA-VDYVLHGJSA-N 436.465 0.582 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838907413 ROLUVMHECJTNON-DFXYEROKSA-N 433.530 0.787 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839073120 NFCOOQRTQYVAKX-OAQYLSRUSA-N 438.525 0.906 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)ccc1F 1839187317 VZBVDXUPAUYNSD-JOCHJYFZSA-N 441.463 0.662 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379067 RLZZPHPATVZFNX-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839811884 USOJZNPVCIELMZ-JOCHJYFZSA-N 435.521 0.723 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839888359 IONOZYOKSZIGJT-GOSISDBHSA-N 440.403 0.456 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2)C1 1840039979 LDZKCQKXMLOUMS-JBYIUTFZSA-N 430.432 0.474 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1)C(F)(F)F 1840106506 OEFZINIAYRKTAC-SFHVURJKSA-N 433.427 0.574 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840173526 CIBOTBXUUFQVAD-XUZZJYLKSA-N 443.544 0.920 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1cncn1 1840414976 LYJJPNGLRUXSOM-VGSWGCGISA-N 438.488 0.410 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 109064462 UBFIOQZDWRIGOX-HNNXBMFYSA-N 432.454 0.497 30 20 ICED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c2)cc1 442006673 VEUIPHBYWHYEAP-INIZCTEOSA-N 433.424 0.458 30 20 ICED CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2F)c(=O)n1CC(=O)N(CC)CC 448110955 VZEGGLHKLFVQNL-UHFFFAOYSA-N 431.489 0.961 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO2)C1 460895454 KZBNGHCNLVESQO-IRXDYDNUSA-N 438.554 0.920 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CCO)C2CCOCC2)cc1 461773673 GQPNUPWFYCKAGZ-GOSISDBHSA-N 439.534 0.725 30 20 ICED COc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(N2CCN(C(C)=O)CC2)n1 473943860 IJTANIVDCOHXBY-UHFFFAOYSA-N 436.472 0.999 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 486019515 SNVWZZOLPGZREI-NSHDSACASA-N 429.501 0.821 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)C2=O)cc1 488627826 MARJNUWJXHTLLU-LJQANCHMSA-N 446.467 0.944 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cnc21 490052001 DXWRKFZJWZHTSJ-GFCCVEGCSA-N 428.430 0.143 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)c3ccc(F)cc3)n2)cc1 491294252 ISQMZHWWGCERNO-UHFFFAOYSA-N 435.419 0.822 30 20 ICED CC(=O)N1CCN(C(=O)[C@@H](C)N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 494487697 RDEGWEGWIYEZAQ-APWZRJJASA-N 448.545 0.807 30 20 ICED Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n2c(nc3ccccc32)c1C#N 501218683 QHSGJIHSECBTCZ-OALUTQOASA-N 425.514 0.948 30 20 ICED C[C@]1(C[C@@H]2CCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(=O)NC1=O 503106840 CLCCAMKRRNGXDH-PNLZDCPESA-N 438.488 0.821 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)n1 508366752 WMGURRXKSTWRLU-UHFFFAOYSA-N 431.456 0.877 30 20 ICED C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508798517 UIYLLBDOIBSTAP-IYBDPMFKSA-N 428.559 0.477 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512734831 URXBKZWCOYWKMV-INIZCTEOSA-N 429.546 0.725 30 20 ICED C=CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 520703006 UOTKBVASWOYTEM-UHFFFAOYSA-N 436.582 0.483 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cc1 524281104 GQBJSBKWKTWEJV-UHFFFAOYSA-N 447.472 0.818 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 538348570 VYDLEUQCOAWGIN-HOTGVXAUSA-N 425.580 0.471 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(C2CC2)c1=O 568845779 PBJYAOWRUJTSEK-CQSZACIVSA-N 445.545 0.132 30 20 ICED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571173477 WJWIHBUNUUOLMJ-SFHVURJKSA-N 439.516 0.492 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCOCC1 580502764 FFCYQFQCOCPEKQ-KRWDZBQOSA-N 425.449 0.077 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(=O)N(C)C 586115514 KKVDBRGQJHAAOC-UHFFFAOYSA-N 438.509 0.772 30 20 ICED COc1cccc(OCCN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 588124852 MMCISJNIBXNMCH-UHFFFAOYSA-N 429.521 0.322 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1=O 607028156 NGVRYLXIKDWMIJ-UHFFFAOYSA-N 435.462 0.172 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609414589 PJBCJMLMROEDCQ-UHFFFAOYSA-N 435.550 0.423 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)cc1 609570936 LYVAKKBEZFFTNH-UHFFFAOYSA-N 432.505 0.870 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1 609833932 BIYWYKJVHSXCLK-UHFFFAOYSA-N 434.499 0.729 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(=O)N(C)C 610799880 ZBFHIWDPVGITLC-UHFFFAOYSA-N 434.543 0.097 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615629895 XCGVYHFTVSSZEY-GOSISDBHSA-N 440.453 0.119 30 20 ICED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 616004244 ZWUILOXFMWPYQT-UHFFFAOYSA-N 440.460 0.683 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)c1 684535527 QWUDCVWWBLTJNG-KRWDZBQOSA-N 439.537 0.805 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc(F)c(F)c1 729541601 GLJWYAIPLUSSDU-LLVKDONJSA-N 425.413 0.559 30 20 ICED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CCO[C@@H](C#N)C2)c1 729979615 NPTUWHCVAWFYRZ-JTQLQIEISA-N 449.270 0.906 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 731494717 DYNNSXQHDPWAES-UHFFFAOYSA-N 431.489 0.366 30 20 ICED CCn1c(=O)nc(O)c2c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc(C3CC3)nc21 731886659 AZDAATFBZLQWJS-CAPFRKAQSA-N 438.444 0.651 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCCC(=O)OC)c2=O)cn1 732563179 SVAQCKFFYOMQJE-UHFFFAOYSA-N 443.529 0.205 30 20 ICED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830041 KILNAPPWKCAFTP-IUODEOHRSA-N 429.433 0.929 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)ccc2F)c1=O 735068914 JJIIKKTUMVJWJX-AWEZNQCLSA-N 433.505 0.658 30 20 ICED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 740491348 WYQJECVTOMEBKR-UHFFFAOYSA-N 431.561 0.917 30 20 ICED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCc1ccc2c(c1)OCCO2 741343312 KUQSHRXZFNASNG-KHESLQRKSA-N 443.456 0.965 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCOCCS(C)(=O)=O)c1 743109756 KYSDBVUTRZXGOP-CAPFRKAQSA-N 446.551 0.682 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CC2)o1 750131217 DKFBBNMYNVQQEA-INIZCTEOSA-N 429.477 0.695 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753361386 ZZUMMMRHURIAKL-UHFFFAOYSA-N 444.513 0.233 30 20 ICED C#CCN1CCC[C@@H]1COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 756545824 VPYLDYBJSWPVJO-AEFFLSMTSA-N 442.559 0.409 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771438556 IUVGIQIYASCUJY-ASSNKEHSSA-N 446.460 0.714 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@H]1CCCO1 773795680 WMABTPFCAQXXJY-CRAIPNDOSA-N 437.518 0.961 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cncnc2N)cc1 774446276 IBWDLRPMMYRUKG-IWIPYMOSSA-N 431.478 0.127 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CN(c2ncccn2)CCO1 774626560 JPVMJXXYPOBODA-HOCLYGCPSA-N 431.474 0.464 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C1 776135685 GQDSCQCOXWYSMK-ZDUSSCGKSA-N 432.524 0.688 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 777296094 JATBORZREKQUGR-ZDUSSCGKSA-N 432.433 0.746 30 20 ICED COC[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)OC 781540522 JWPKMDQUCRGRMA-HDOZFUISSA-N 426.495 0.216 30 20 ICED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782129664 NGDLZHUYHGXGAK-UHFFFAOYSA-N 434.500 0.915 30 20 ICED N#CC1(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCC1 784180716 FOVVFSJYPFPEDQ-UHFFFAOYSA-N 425.438 0.566 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C(=O)OCC)n[nH]1 788602597 OVKNARCXHJEVLK-CYBMUJFWSA-N 448.505 0.895 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 789847769 UTBYIKGLNGTNCR-UHFFFAOYSA-N 445.589 0.302 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc[nH]n1 789938852 GKKOLZXTKKGUCH-UHFFFAOYSA-N 430.421 0.951 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 790312129 NSEFMHVIWSQESI-UHFFFAOYSA-N 437.585 0.812 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC1 790839835 QGDUYLJJEPORGQ-UHFFFAOYSA-N 432.315 0.952 30 20 ICED Cc1oc(C#N)cc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 797885375 UFLFGIFCCBSGNZ-UHFFFAOYSA-N 447.469 0.954 30 20 ICED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 804402740 YOALSPLCMLHUKH-KSFYIVLOSA-N 441.488 0.076 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)NCC(=O)NCC#N)C(F)(F)F)CC1 807553618 VPUNMNBOAHGQMD-GFCCVEGCSA-N 436.435 0.409 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccc(Cl)cc1 810474020 RHPNLIMOIOHKFK-HNNXBMFYSA-N 435.889 0.976 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249730 WTYYWZRAZQOZBH-UHFFFAOYSA-N 425.461 0.047 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821695502 HFHXPBCVNNLCOA-UHFFFAOYSA-N 431.426 0.694 30 20 ICED C/N=C(/NCCN1CCOCC1)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 849104953 GGWWOVLLEBTTNR-LJQANCHMSA-N 435.544 0.340 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n1 914534403 LXVLIFRBRGYNIW-LBPRGKRZSA-N 442.592 0.858 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 917688882 XMNJNIPOGLUYRK-NXSRCCIVSA-N 428.536 0.862 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919665369 ULNUAUUFIAEDCK-HOCLYGCPSA-N 449.485 0.485 30 20 ICED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1136949238 OOQOXBISWJKDDZ-CEXWTWQISA-N 430.530 0.109 30 20 ICED COCCc1ccc(OC[C@H](O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1166529559 VSWHUVPCOBJNLH-MRXNPFEDSA-N 447.513 0.470 30 20 ICED NS(=O)(=O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1255537528 AGLHLVIRCGWYKO-UHFFFAOYSA-N 442.563 0.565 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1299384279 INYJPSFMIXLOIX-BTYIYWSLSA-N 426.498 0.881 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)ccc1C(F)(F)F 1309497153 NXLZECYFSBJFPT-LLVKDONJSA-N 426.442 0.913 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@H]1OC 1316331564 SYMHGKVEMLKNAT-HDICACEKSA-N 436.476 0.820 30 20 ICED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1322428026 PBSOCQKTMCQICE-UHFFFAOYSA-N 435.481 0.768 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1440877803 ODQAKFOPRXDJKH-DYVFJYSZSA-N 435.531 0.391 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1=O 1468669861 LPZMXOKIHFDFCM-KRWDZBQOSA-N 425.493 0.235 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1502310382 YMYBPYCRXNEWBL-BBWFWOEESA-N 440.618 0.510 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1534878090 SVWYETRSCLZRBX-UHFFFAOYSA-N 443.529 0.880 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1548315296 PFCMXONAQFQHDV-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1616126988 NRUBJXRJHAWQPF-YJBOKZPZSA-N 426.543 0.704 30 20 ICED N#Cc1c(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)sc2c1CCC2 1616498065 UDXXFFDKQMZZGM-HOTGVXAUSA-N 438.575 0.213 30 20 ICED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1693100970 LVZVAKZHGVPDNL-PBHICJAKSA-N 433.538 0.959 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1696513845 QBEFBVTUJMQSBE-SSEXGKCCSA-N 430.534 0.880 30 20 ICED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1740797464 PSTXQNBPANGLLT-DOTOQJQBSA-N 445.549 0.816 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1767845815 ZCBYVOHKNBAFTQ-YWZLYKJASA-N 446.533 0.750 30 20 ICED COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1778052406 DVCDGFKCYYAWQL-GCKMJXCFSA-N 438.525 0.954 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778893839 AGDXLDWXWRMONH-KRWDZBQOSA-N 436.383 0.431 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1778975776 RRJQVEPRGVNTCR-GXZWQRSESA-N 441.525 0.233 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781757840 KJHHSVTVPQHOCU-KPSNGJBRSA-N 444.488 0.758 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C1)CCC2 1782438376 JEGBMTVCEZHXPU-DHNIJCFSSA-N 428.537 0.824 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1783767056 RSPOPLWIYNHLKJ-GSHUGGBRSA-N 434.537 0.814 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1784446530 VUHZNFAHSVMYOI-QEOTZNIISA-N 446.570 0.095 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1784504413 QAPWOPGOHKURIL-HLXURNFRSA-N 433.549 0.958 30 20 ICED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)c1 1785585694 IZIXNPAYGUDJDV-JQFCIGGWSA-N 432.502 0.382 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N(C)C)cn3)[C@H]2C1 1785748429 ZHJAYYHSDKWNQT-HMKGZXSISA-N 441.532 0.599 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CCOC1 1786370403 WSDQZXHVHDUVBX-VCAMNPENSA-N 436.509 0.564 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(OC)c3F)[C@H]2C1 1787137478 YFSBOQWCQVBUCX-BVZCXFIXSA-N 446.479 0.681 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603552 MBXSCXKIDAGMMN-RNCJVDDHSA-N 438.525 0.999 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(C(=O)OCC)c3)[C@H]2C1 1789337994 YYNLFFCSEOJDAO-CAIZAGQASA-N 443.500 0.890 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c1 1789346670 VOILSFZQXKNTKF-YDHLFZDLSA-N 447.542 0.340 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1cncn1 1791616731 JBFWDESPZLMPSH-UJNZZBMASA-N 448.487 0.881 30 20 ICED 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)C1)C2 1793600101 TVDBUWLEJMFJFE-MHORFTMASA-N 436.553 0.607 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C(F)(F)F 1794274716 PGOKXAMOIFBBTJ-GUIRCDHDSA-N 428.411 0.680 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)c([N+](=O)[O-])cc1O 1795412022 DLUKPDNOUHKMLG-DPIQGUFMSA-N 430.417 0.816 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2)C(F)(F)F 1795929729 CITHOSFPOZLKBW-DDFAGTSDSA-N 448.423 0.160 30 20 ICED 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CCOCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533437 UFRDDYKGYKLLOG-LFQSBUTJSA-N 427.498 0.398 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cccc1=O 1837561165 CHDFHZACTMAROS-YVABFXQFSA-N 442.472 0.167 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837567363 GXZRJNQIVVZPJJ-FFCJBUTOSA-N 443.460 0.024 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838740770 SSCVYQNWUQDDGF-NRFANRHFSA-N 440.460 0.249 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nn[nH]c4C(F)(F)F)CCO3)C2)CCC1 1838768186 DAMLJLJEBBQLIA-KRWDZBQOSA-N 442.398 0.587 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)ccc1O)CCO2 1838891286 PKTPFBSNMRWAAR-FUMRIQNTSA-N 443.500 0.629 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1839066514 KRYASMCZMCWCGL-HYBUGGRVSA-N 447.576 0.483 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCCN1 1839122758 CHFPVKMQIKHXBJ-FGZHOGPDSA-N 430.480 0.909 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1839175735 BEOCWZKUPYZAGS-GCJKJVERSA-N 438.521 0.769 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223548 ZIKOZNKLKGCJLB-QRWLVFNGSA-N 435.481 0.356 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1C 1839226400 NPPUBTGWETWCIM-FOIQADDNSA-N 437.497 0.300 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839350010 DNTZTENCWBSZCM-RUZDIDTESA-N 447.491 0.907 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1840162544 ZTGCQTBQSAPEMH-RXSFTSLZSA-N 449.529 0.794 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840254947 QGONNNJZRWWHTE-IIBYNOLFSA-N 438.546 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840860533 LZXHNGJPSLFSAU-CGYSWORWSA-N 437.562 0.444 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 1843346519 PZSBPFWOEYFPCC-IRXDYDNUSA-N 435.521 0.864 30 20 ICED C=CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 108751642 HCPHKLSYQJXPCF-CYBMUJFWSA-N 438.535 0.999 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 410116670 PZAJZNTZPATKQQ-UHFFFAOYSA-N 441.529 0.280 30 20 ICED C[C@H](C(=O)NC[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 442816946 LKOBJFMRBJPURI-MGPQQGTHSA-N 426.485 0.472 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443748152 MLTASPSEJFLXFK-HNNXBMFYSA-N 444.517 0.785 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 446950675 BDLCLGCZEUVOMK-CYBMUJFWSA-N 436.515 0.497 30 20 ICED N#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 465143034 BJNQLYQYYUYEDV-UHFFFAOYSA-N 448.545 0.916 30 20 ICED COC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 468838557 FTBYBLDJPXKSCB-UHFFFAOYSA-N 443.485 0.685 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 489097168 FQCBODWXQGTKEQ-OKILXGFUSA-N 446.526 0.358 30 20 ICED C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 499671977 VXWIMVBUSSCBHV-BFYDXBDKSA-N 430.548 0.224 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508957467 ZXWDKDSTKMFKQP-IAGOWNOFSA-N 443.570 0.819 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 509412744 DDEVBDMUIXTGLW-OAHLLOKOSA-N 430.552 0.417 30 20 ICED CCOc1ccc(NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 510623559 UJDXDKNBTZEXJE-UHFFFAOYSA-N 426.481 0.514 30 20 ICED Cc1ccc(Br)c(S(=O)(=O)NCCNS(=O)(=O)N(C)CCC#N)c1 510694297 XEAFGKXGKXVIHM-UHFFFAOYSA-N 439.357 0.716 30 20 ICED C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512197517 QYMQHNGTJBDJDH-AZUAARDMSA-N 445.589 0.950 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 514504605 LBISUAYWCHBAMK-UHFFFAOYSA-N 426.481 0.889 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(SC)cc2)c1=O 522283913 XVYBUAHAXQTLCS-UHFFFAOYSA-N 447.582 0.934 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 526096544 XJKFDZHUFMVALI-UHFFFAOYSA-N 434.460 0.549 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1Cc1ccon1 531938505 ZTTGEDLCMJMHOP-UHFFFAOYSA-N 436.493 0.909 30 20 ICED COCCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 540981513 GKRCTQBKBGSHFZ-UHFFFAOYSA-N 429.456 0.795 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)Cn2ncc(C(=O)OCC)c2C#N)c(O)nc1=O 543692498 ZEXGEOIVZTZENC-UHFFFAOYSA-N 431.453 0.629 30 20 ICED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543933843 WADPPUALWYAEGX-UHFFFAOYSA-N 430.852 0.651 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1 553672056 IOHMEIUVIKRSMO-ICSRJNTNSA-N 433.597 0.592 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 554360832 MVBVAQNWPPEAFM-AQNXPRMDSA-N 425.533 0.986 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(=O)NCC#N)n2CC 557720735 YWSSGKZLBGGYKH-UHFFFAOYSA-N 448.549 0.775 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1C#N 565907095 UHTRXXVUMGRVTD-UHFFFAOYSA-N 432.506 1.176 30 20 ICED CSC1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN(C)CC1 567551486 RTLMXEJALBQSBI-UHFFFAOYSA-N 427.534 1.080 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588823389 VBUYGPQDALYDFJ-RTBURBONSA-N 449.515 0.294 30 20 ICED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 608912270 RJCYAZYAVVBJIV-UHFFFAOYSA-N 449.492 0.331 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1C#N 611015262 IXMNAXCFKKNWSN-UHFFFAOYSA-N 426.426 0.965 30 20 ICED C[C@]1(C#N)CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 612364728 CILDJEYHPRWGJF-FUHWJXTLSA-N 427.548 0.920 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 674482754 YCTYQPZZKWTLEW-YEJXKQKISA-N 442.476 0.769 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732909359 AFLLBFQZQCOWTC-WCQYABFASA-N 425.413 0.284 30 20 ICED C#CCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 733161783 ZGGFXRRVALXSDA-QGZVFWFLSA-N 425.938 0.651 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)c1 734702263 RBQJUQOLCOVSNU-LFVJCYFKSA-N 449.533 0.600 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCC1=O 739115738 DEUODUNGQKFEMJ-USIKMKBCSA-N 435.506 0.175 30 20 ICED C[C@H](CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742617245 PBKWRIIUNQBSLG-PBHICJAKSA-N 447.561 0.444 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCS(C)(=O)=O 748644178 GAYXPWCRXMHWIV-UHFFFAOYSA-N 435.552 0.616 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 749743916 PGJMBKQGNAJHMB-WYOZQYPVSA-N 447.517 0.317 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1OC 749982167 ZGSLZEVFTMNSFP-SFHVURJKSA-N 425.463 0.334 30 20 ICED O=c1c(C=NNc2nccc(N3CCOCC3)n2)c(N2CCOCC2)nc2ccccn12 762600888 UCGVLJRVXAOKBU-UHFFFAOYSA-N 436.476 0.604 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2SCCS2)CC1 768582218 AHEWUPRMCQLALX-UHFFFAOYSA-N 441.556 0.740 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770659000 XHMOOLQVGXCFCA-UHFFFAOYSA-N 426.454 0.487 30 20 ICED C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 771171518 KELJBAAQVSJERL-MRXNPFEDSA-N 445.487 0.928 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1)c1cc[nH]n1 772658780 XJTRYGXUKMRNKX-JGVYIQDASA-N 436.494 0.242 30 20 ICED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1-c1ccccc1F 777444479 WMXSVVFRCPWSKF-UHFFFAOYSA-N 433.465 0.943 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n2)CC1 787542852 CRLLONOUHODWOP-ZBFHGGJFSA-N 445.524 0.964 30 20 ICED COC(=O)CC1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 791208874 KDRWVVRHXCARAI-CQSZACIVSA-N 437.518 0.980 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794599055 UKXWRFUHXZFUDD-INIZCTEOSA-N 443.525 0.700 30 20 ICED N#Cc1ncn(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 803548823 CALAYXZAQDKLRG-CYBMUJFWSA-N 438.897 0.690 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC1 808290178 HBYAVPAUBQVOBO-UHFFFAOYSA-N 442.925 0.363 30 20 ICED COCCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 808331194 WBOSRMURNXIQAJ-KRWDZBQOSA-N 425.467 0.074 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 813980841 JFGFKNOJDNXQEW-UHFFFAOYSA-N 436.471 0.093 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249799 YBPVYWLFCDCUDV-UHFFFAOYSA-N 439.488 0.437 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(O)C2=O)CC1 816693356 JBYKDATYBADHLC-AWEZNQCLSA-N 426.451 0.410 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 820775896 OXZFWLQQZXEIGY-GFCCVEGCSA-N 426.451 0.375 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 916874586 CVICTEFPEFYMMZ-IIDMSEBBSA-N 437.518 0.960 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921104942 WXCJRSMKZKFIEM-KRWDZBQOSA-N 428.536 0.963 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1COCCO1 1288782763 XRPDYEJIJXIQGA-PBHICJAKSA-N 434.522 0.812 30 20 ICED CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCO1 1293640851 VBKYQIQSRYCAQO-MRXNPFEDSA-N 434.522 0.893 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1297786055 UHYIAICXOMLTOF-MRXNPFEDSA-N 444.521 0.185 30 20 ICED CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298914568 DCIPBUWIQNCQEZ-INIZCTEOSA-N 428.541 0.463 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(F)c3F)c2=O)cn1 1319421728 QAEYSSIPVNAMPJ-UHFFFAOYSA-N 427.436 0.692 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1555252241 XFOWTVPPXVHLNA-GOSISDBHSA-N 448.549 0.950 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1615618676 PQLZRONWNAOAGK-HNNXBMFYSA-N 425.559 0.924 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N(C)CC 1708754306 GMNWUWIDXPXQCS-QGZVFWFLSA-N 430.557 0.851 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCC(=O)N(C)C 1766396964 SYZVLVGKQOEYBU-UHFFFAOYSA-N 443.556 0.923 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3cc(F)ccc3n2)C1 1779032253 WABSDBFSQJQZFL-IIBYNOLFSA-N 428.420 0.689 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779066913 JSAJEZGNOLQGEB-HSZRJFAPSA-N 431.533 0.527 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780901683 OCAWQAJAPKKNMI-SEPYTNNBSA-N 445.491 0.812 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1CCN(C)CC1 1781093605 PIMYFQKFURNFPN-HYBUGGRVSA-N 446.592 0.151 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1781171330 SAVHDJABGFRLTD-GAJHUEQPSA-N 440.500 0.465 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172843 YLTLNQOEIXAVGU-AVRDEDQJSA-N 443.504 0.386 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493204 RBMJCRCVFIREHX-FOIQADDNSA-N 436.534 0.994 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc[n+]([O-])c5)CCO4)C3)c2c1 1782192628 NYVZIFKCBALOMF-QFIPXVFZSA-N 432.440 0.825 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728566 YYXAFSSMOPLDPB-SBUREZEXSA-N 428.533 0.804 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(CC)c1I)CCO2 1783048627 FIRGAMBRJQKTGY-MRXNPFEDSA-N 442.257 0.653 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783195566 FMNUMCRWDFXODM-LJQANCHMSA-N 437.447 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21 1783531298 NGUCOOWSWZHLFH-RZXAPVBSSA-N 438.488 0.410 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694588 SGXZTUIAWYHGEJ-NXOAAHMSSA-N 449.552 0.512 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859146 OQJXBXNPXTWMMD-OWSLCNJRSA-N 431.541 0.176 30 20 ICED 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)C1CC1 1787443248 YPQXFQPJEYCPQZ-FPXQBCRKSA-N 449.504 0.357 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789508528 YHNOJIOTMFRKDN-FCLVOEFKSA-N 433.530 0.832 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)[C@H]3C2)c1 1789771483 YBUCSVXHPCEDTC-VKESLTNKSA-N 439.516 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnc3C)[C@H]2C1 1791701341 ZMCRCMMCPOTDPT-BPBFDUBYSA-N 429.521 0.591 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426635 TYIBZXKZTBNNIK-RMHZUWNSSA-N 441.575 0.643 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn2ccncc12 1797060009 CPDBYEBDZIOCIE-CVNGWDAJSA-N 442.476 0.462 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837690 FJWCECXPHXWNMP-WPFKTZMFSA-N 426.477 0.579 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C/N=C/c2ccco2)C3)CC1 1797934488 OOMVADNYNMJXOY-SAEARDQTSA-N 429.521 0.501 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010265 FNDPMDWYYHWRIM-PBDHTZRUSA-N 436.425 0.050 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882598 AESYVFBSHSMKJQ-LORHWOILSA-N 438.488 0.552 30 20 ICED 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)C1)C2 1802126770 NKSNXBHRSBKHOG-XMTFNYHQSA-N 434.537 0.054 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192879 RBOIGTKHWQHHHO-IEBWSBKVSA-N 447.561 0.368 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1815206072 XXQTVUQTSAIXPU-HNNXBMFYSA-N 432.481 0.936 30 20 ICED N#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850746 URFDAFPMTHRGOI-SECBINFHSA-N 434.503 0.824 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817318807 WIZXJYAAFKDTAY-DLBZAZTESA-N 447.540 0.835 30 20 ICED O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1825328053 AITRZZQVOXMICF-FVUPAENESA-N 449.533 0.054 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1829771106 GBXZNBWTMVGGNO-XBKFQHLESA-N 443.500 0.250 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829895680 DQPZJZXXYMULDD-DEOSSOPVSA-N 440.544 0.899 30 20 ICED O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)N1 1830467093 SHILYOFORXLTSI-PGRDOPGGSA-N 445.903 0.427 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831216627 VURZTZZSWYZZMC-JOCHJYFZSA-N 428.489 0.408 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831397183 VHVIMBRVBWWZQP-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1831404519 PWAJAQBMKXMDRO-RXVVDRJESA-N 425.526 0.340 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1831413797 IIQADIUTGYVSRM-IOUFHMPJSA-N 430.505 0.929 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831424091 DFMXKZGAFNMBQV-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1831425316 CBGPSBLEJJKLOP-HMFYCAOWSA-N 432.521 0.930 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831427671 XKJPICMIAWEKEB-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1831435039 JIQRPBCASROVIL-VGOFRKELSA-N 428.489 0.995 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831453631 AQHFUMXUDKRWAL-GCJKJVERSA-N 448.541 0.175 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832051341 SVORDEDYAQZZCN-VGSWGCGISA-N 435.521 0.866 30 20 ICED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc(OC)c1OC 1832099989 PRDPJRSEKUIDAL-JOCHJYFZSA-N 447.488 0.625 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)on1 1832568041 AAVONTYFGPERTL-HSZRJFAPSA-N 445.516 0.681 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833288889 OUQRFXBERRNRLC-LJQANCHMSA-N 445.564 0.925 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833450865 MIXPGBKICYIKLB-MRXNPFEDSA-N 426.583 0.299 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1833469018 JQANRMWKVWRDOF-OAHLLOKOSA-N 434.566 0.507 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1833475679 XBACSOFONDSLFR-BEFAXECRSA-N 440.541 0.214 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834492407 IUIOLOVCJOVEID-NRFANRHFSA-N 426.429 0.695 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)CC1 1835340980 LLLBRZIIFDJIGZ-HXUWFJFHSA-N 432.502 0.238 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835349775 WZWRISIOALLIBO-HSZRJFAPSA-N 440.500 0.762 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835448836 XYQKCBYXDPUHTR-QHCPKHFHSA-N 442.516 0.351 30 20 ICED CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1835896590 NKUSUMUJPPVCIJ-KNQAVFIVSA-N 431.537 0.979 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n1 1836062261 JRALKMZGCFEEDA-QHCPKHFHSA-N 437.500 0.799 30 20 ICED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)S)CC3)CC2)cn2[nH]cnc(=O)c12 1836090484 KQBNZBABZJOMSK-CQSZACIVSA-N 446.577 0.835 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)c(C#N)c1 1836223255 NWINCXXRFNWLMY-NFBKMPQASA-N 443.500 0.745 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837394446 AXEASOSCQYSTMW-IFXJQAMLSA-N 427.885 0.971 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nc1 1837524383 HDWMTZCXFOSXFQ-PIVQEWKSSA-N 446.504 0.989 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524708 GHUHHNDPYDAXIP-ZMELMJDUSA-N 427.498 0.254 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560370 OSOFDBUNUQRICH-MPTRJMJQSA-N 444.488 0.013 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560505 ZEMOBLVGZAVGOK-JBMWNJKUSA-N 443.504 0.819 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)c1 1838582639 XGRVJMHOQHJGGB-QFIPXVFZSA-N 437.456 0.741 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C)[nH]n2)CCO3)c1 1838661463 IYNVEFHCILWNQY-QFIPXVFZSA-N 439.472 0.982 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738220 XXBGBNFKAJXGCF-VFNWGFHPSA-N 439.476 0.247 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907490 VHBXZLBPORUZHC-ZHRRBRCNSA-N 426.473 0.319 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420167 SLVQCYPUNVSEBU-NRFANRHFSA-N 427.436 0.815 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453507 OLLDUOHBZAZSFF-OPAMFIHVSA-N 428.489 0.461 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840293226 NFWXRJCZPOTRNT-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840843852 PDQNQXLBAZDLCS-OAQYLSRUSA-N 444.513 0.609 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840856893 DAKBWDPPKNGEJT-OFNKIYASSA-N 447.507 0.905 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880094 WDQZTBSJVGSDAK-LHXJMTLCSA-N 445.472 0.823 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1841582895 XMLHFPHPMIPNJO-CQSZACIVSA-N 434.518 0.712 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842826908 OSRYOVBEYFQRJO-KRWDZBQOSA-N 434.537 0.439 30 20 ICED N#CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C1 1846234579 JZDYAGXROJSCOG-HKUYNNGSSA-N 426.473 0.875 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 9443226 LGICNOMRPAOKQP-UHFFFAOYSA-N 427.479 0.894 30 20 ICED N#Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 32717445 BLLATULTOKEPRA-UHFFFAOYSA-N 429.502 0.600 30 20 ICED COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409562455 QUKRTIDMUHLRIW-WBVHZDCISA-N 429.520 0.153 30 20 ICED Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 430065184 KJCTWSLADYMBHC-HNNXBMFYSA-N 431.460 0.913 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1=O 430131064 JUGKYURYSOOHFF-ZDUSSCGKSA-N 438.278 0.693 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 434343600 XCKUSYJHYIZCRR-HNNXBMFYSA-N 441.517 0.940 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435933134 DOBRELKFKDNKCW-BPUTZDHNSA-N 446.909 0.324 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3[C@H]3COCC[C@@H]3O)n2)c(F)c1 440167371 JADCYLGVIJXJPY-KYJSFNMBSA-N 427.436 1.210 30 20 ICED COC(=O)C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 441098200 BDYIMYPHLCXBJB-KRWDZBQOSA-N 434.518 0.419 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 441205666 VAXGRGABRQCGGA-NRFANRHFSA-N 427.461 0.378 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441924090 PFEGDIQNRLRTEN-CQSZACIVSA-N 433.555 0.664 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 447184210 GEXAZIYAUOTZJT-USJZOSNVSA-N 429.498 0.688 30 20 ICED CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1(C)C 447290173 JZQKDHIWHJTGHT-IERDGZPVSA-N 429.452 1.504 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 460612170 MLKKTOBAAWDHBU-UHFFFAOYSA-N 441.455 1.001 30 20 ICED N#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 464798605 KBTBJIOWIHBOSG-MRXNPFEDSA-N 435.502 1.000 30 20 ICED COC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 470005483 YLBZPEUMYJHFNG-FQEVSTJZSA-N 434.518 0.276 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCCC(=O)OC 477023710 YCWRUZNKKILJCA-UHFFFAOYSA-N 447.538 0.738 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489172513 CMYFUXLQEOWXAO-AWEZNQCLSA-N 435.452 0.846 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(C)C 505094704 QWWZSDNCVSVYHI-UHFFFAOYSA-N 433.505 0.979 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1OC 507090618 TYKPKJPETYWZBE-UHFFFAOYSA-N 431.514 0.890 30 20 ICED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508318489 NIPDWFYUVRTUMB-UHFFFAOYSA-N 433.494 0.123 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 510256682 QXURVCABRRODJH-UHFFFAOYSA-N 434.474 0.777 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(OC)nc2)c1=O 512757645 OICFJWHGPVWRLO-UHFFFAOYSA-N 438.513 0.547 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 534603232 WAGMKNOPUCSVLM-MRXNPFEDSA-N 428.514 0.140 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 537211169 NPZYXNOQKGULIO-DLBZAZTESA-N 439.607 0.861 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 538147512 JGQQQHSEBBZBNV-HXUWFJFHSA-N 429.569 0.554 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 538165777 BHDMTMOGEQVTJZ-INIZCTEOSA-N 428.489 0.739 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)c1 540011184 XKFDZKRSAXMSBJ-UHFFFAOYSA-N 428.536 0.603 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 540260742 LIYGRLQBRJSXNL-AWEZNQCLSA-N 440.526 0.053 30 20 ICED CCCN1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 574190797 OLWKHKKNOYOPCX-SFHVURJKSA-N 425.489 0.246 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CC1 575785054 XVKWFRPTOKAANN-SFHVURJKSA-N 427.549 0.910 30 20 ICED COc1cccc([C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C)C)c1 576891416 RROGZNRCZGKTTP-GOSISDBHSA-N 427.509 0.682 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)CC2)c1 583344258 FDAFYJSGGXRBSW-PMACEKPBSA-N 440.548 0.486 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 588156743 WJRQSGDZDXMBTO-UHFFFAOYSA-N 435.509 0.850 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCCN3S(=O)(=O)N(C)C)CC2)o1 589096321 XDEWEGHYKQBFBZ-MRXNPFEDSA-N 438.554 0.848 30 20 ICED CN(CC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)S(=O)(=O)c1ccc(C#N)cc1 603672407 DBRVQNYTNOKSCJ-HXUWFJFHSA-N 441.469 0.872 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)c1 604207307 YSEVZAMYVFIVLX-UHFFFAOYSA-N 443.467 0.897 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C 611222469 XIBHXIUMGSOLTI-UHFFFAOYSA-N 426.420 0.516 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)C1=O 726042848 HNOKPFSLCHLXIR-UHFFFAOYSA-N 428.401 0.037 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCCOc1c(C#N)cnc3ccccc13)c(=O)n2C 726362885 QRRIOKYQQQFDSK-UHFFFAOYSA-N 434.412 0.476 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 727480915 HVRPJTKBVUSWHW-UHFFFAOYSA-N 449.581 0.836 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1 728533465 JXVRUMMNUGKRJD-UHFFFAOYSA-N 432.546 0.368 30 20 ICED C[C@H](CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742616449 REOZWYBRGJYBRH-NVXWUHKLSA-N 449.577 0.563 30 20 ICED CC(C)[C@@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 745495296 FTOSBZDOGIWJFK-RDTXWAMCSA-N 437.518 0.930 30 20 ICED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 747672456 VMYIBGLAUYFCNI-KRWDZBQOSA-N 448.501 0.027 30 20 ICED C#CCNC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 747829159 ZPRNIMNXYHXWAS-UHFFFAOYSA-N 444.897 0.321 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1-n1cnnn1 755544934 HKNOTBBAUYIYDL-UKRRQHHQSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 758067190 HFCQLQSYCAQXHJ-AWEZNQCLSA-N 437.521 0.904 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767638469 SFUDGSQRLLIGSQ-ZDUSSCGKSA-N 445.453 0.733 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 767841197 XJLJQJAQJDXTPE-XCLFUZPHSA-N 441.469 0.723 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)[C@@H]1CCCO1 775791878 XKXQAIILKGDVBS-PMACEKPBSA-N 435.546 0.689 30 20 ICED COc1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1S(=O)(=O)N(C)C 782355537 UGHMXVPIZGQMMB-UHFFFAOYSA-N 431.430 0.922 30 20 ICED C#CCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 783479877 GRYUTWOBCZWCMC-CQSZACIVSA-N 425.304 0.987 30 20 ICED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789618383 BTIJOKFSXDPOKW-GHOZOMOVSA-N 437.522 0.421 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 793203037 FXTVRAYRBPYNQS-CDVVCGDMSA-N 430.486 0.539 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1CCOC 794581665 OVEZUJFDLBIXGC-UHFFFAOYSA-N 427.461 0.130 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc(F)c(S(N)(=O)=O)c2)cc1 807977806 AKNBHSSOXBXURC-UHFFFAOYSA-N 429.451 0.962 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814249781 AHXPCOTXDDXVQR-UHFFFAOYSA-N 437.472 0.362 30 20 ICED CC(C)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N(C)C)C1 820419729 UASOHHRRXOCKIJ-RDJZCZTQSA-N 449.577 0.419 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1=O 914782641 VCBNCGGZNAEXFF-UHFFFAOYSA-N 445.907 0.613 30 20 ICED Cc1ccn2c(=O)c(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)cnc2c1 915547472 OPROZUPIDOUQHS-UHFFFAOYSA-N 436.428 0.677 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 917018490 OMPGLLSWXQECDT-VFNWGFHPSA-N 425.445 0.756 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 917038933 WQNONBXLAFCVIB-INIZCTEOSA-N 447.469 0.948 30 20 ICED C[C@H](NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCCCC1 919318411 HRXLDXAWFDUZDB-HNNXBMFYSA-N 435.502 0.533 30 20 ICED C=CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919818191 PDNGKJWXDOWOIJ-OAHLLOKOSA-N 428.532 0.526 30 20 ICED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)CC1 920400096 ZRQVUVABDYKYDY-UHFFFAOYSA-N 435.488 0.923 30 20 ICED N#Cc1cn(CCNS(=O)(=O)Cc2cc(F)ccc2Br)c(=O)nc1O 1309697082 VPMVSZPTXVBJLG-UHFFFAOYSA-N 431.243 0.842 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1314558725 LTDQUTVAQVFOFT-QGZVFWFLSA-N 445.549 0.718 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1509756175 IWHAQXJYPDCOIQ-INIZCTEOSA-N 446.533 0.877 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1510113212 RAXNYOGREGRTEH-MJGOQNOKSA-N 444.584 0.561 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1615135996 RNJZBUBSGQSKLB-OAHLLOKOSA-N 425.493 0.874 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1627058479 QJORLTHJXOSMER-MRXNPFEDSA-N 449.577 0.674 30 20 ICED N#CCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1648963123 MBHHZQKRYCSBSP-WBVHZDCISA-N 426.926 0.522 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1692786147 RXMSYTLRBIRGTO-IAQYHMDHSA-N 430.897 0.880 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1=O 1698088451 RPNDUKCFRBXUKH-QFIPXVFZSA-N 442.520 0.899 30 20 ICED C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1706901949 MNCDRTQCTPDDKV-NQYLQCIDSA-N 449.508 0.956 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CC(=O)N(C)C 1726642888 JZRVAJXDNIYWFK-OAHLLOKOSA-N 434.508 0.749 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1766871917 UUNSTMZVSIBUAT-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnc(C)n2)C1 1778306061 SDKKLDGTRBLRLY-LHTVMBCQSA-N 427.505 0.771 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779065281 YJOHUHWBOULAMG-QHCPKHFHSA-N 433.549 0.237 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102163 CQYQRMKSCDWSEX-LVYKEOCBSA-N 439.513 0.053 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105118 ATVGGPHDMKKRSD-IHWCOTDNSA-N 441.481 0.907 30 20 ICED Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)n1 1779362344 DJWCGSJAKMTIPD-JPFMVSBKSA-N 432.525 0.906 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CC)n(C)n2)C1 1779905763 ZMUWLHDIWBTEGM-VZVPXEAQSA-N 443.548 0.968 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1780803269 FLMRAYHWEJHVEZ-XBHMSOGKSA-N 435.481 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(C)nc3ncccn13)CCO2 1781269246 GQBIOBKWQFIQOQ-QFIPXVFZSA-N 441.488 0.991 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1781398417 PUJJOXJVQNLIAN-HOIFWPIMSA-N 445.520 0.831 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1F 1781417300 RPAUOPNGOPZBJD-FGZHOGPDSA-N 445.447 0.095 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ncc1[N+](=O)[O-] 1782010005 DRJVZEUCHAFXQU-OXQOHEQNSA-N 430.417 0.514 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1782647094 IJXMHUJQPQRNAN-NRFANRHFSA-N 447.536 0.554 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666930 QPAJLYRWSJUCPU-GSHUGGBRSA-N 428.489 0.068 30 20 ICED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)cc(OC)c4)CCO3)C2)CC1 1783215611 MIUSPNXTWJZLQL-OAQYLSRUSA-N 427.457 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nc3)C[C@@H]21 1783529460 OCQSPHBTVZCMNT-SKNOTLCPSA-N 428.489 0.542 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1783855318 NXKQIYRMHSJLQX-ZAUSVJCJSA-N 447.532 0.654 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1783896105 BHKRPDVNHYUHKB-CWTRNNRKSA-N 433.490 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCC(C)CC3)[C@H]2C1 1784315650 FPTYOFRHPAMFBW-GYMRMKKLSA-N 432.565 0.556 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)c3ccccc3)C[C@@H]21 1784478100 SQXKVRBLAUZHSR-VMXMFDLUSA-N 441.528 0.777 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)n(C)n1 1785614877 KHOZKEAHRLQTCG-XPLYWSEASA-N 429.477 0.734 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cccc(=O)n1O 1785632697 WOMNVFRZEOEHAX-MOFWARSWSA-N 448.476 0.208 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226216 NOYJCBFPUQMJGW-UJNZZBMASA-N 428.464 0.981 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c1 1792697231 AZVMIYZQTYIYAW-HGKCTWBKSA-N 442.497 0.807 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794205583 NSLGGROIKRTJKA-YYIAUSFCSA-N 428.876 0.928 30 20 ICED NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494618 SHUZUGXXUJEWJS-VSNPHJFBSA-N 430.465 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798627150 ZQORWGDIGDHUPK-VWPFQQQWSA-N 445.428 0.565 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1799305264 ZQFJIPCTQPRFGG-DMUMMCEESA-N 430.505 0.050 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1800546999 OXWNGDHZEAQJRA-FZKCQIBNSA-N 432.420 0.282 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)c1cccs1)C2)C(=O)C(=O)O 1801330697 UGKVJWGUBOYXLR-HWOIXAKWSA-N 433.486 0.668 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1801764238 PEEISVRRCUBRCU-NMZZKHSVSA-N 436.468 0.442 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1802022177 YVSMUDISOYEZCL-ZMMAXQRCSA-N 435.521 0.625 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803444877 DVOQVPUORFHBAG-DYESRHJHSA-N 432.484 0.755 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805279020 JYOBVHFAUNTUCJ-OAHLLOKOSA-N 425.526 0.998 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807191000 PEFJYGQMFWNYIM-OPYAIIAOSA-N 431.537 0.663 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1809526975 NUERXNOYZRUTKG-IMFGXOCKSA-N 428.489 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1809526976 NUERXNOYZRUTKG-KPFFTGBYSA-N 428.489 0.968 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810252193 HKIJMTKRPXRRLZ-LLGFUMIMSA-N 440.500 0.586 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810283452 AMTWVPHROABDNN-UDZNCULOSA-N 426.521 0.838 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810344363 XEAFWBYRWOSKPS-SBHAEUEKSA-N 429.473 0.996 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810439373 VODZGUATFRKJFK-XAUMDUMWSA-N 435.488 1.000 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC2CC2)CC3)CC1 1818889894 IDRCKXNDRZIAQU-MRXNPFEDSA-N 429.546 0.633 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393430 WQYBTIFPJCNGKZ-USGZRQEGSA-N 432.529 0.466 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)c1 1830347140 VMDCCQVNOUVILJ-QFIPXVFZSA-N 440.456 0.741 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)nc2s1 1831208635 OYPZNINLKNULPX-NRFANRHFSA-N 443.529 0.512 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1831402677 OPOUYZACSFLLPJ-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831597010 ZKEZKAVPXFNMAD-AOMKIAJQSA-N 428.489 0.069 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831630554 SYILXEFEBSJBJN-KSFYIVLOSA-N 433.480 0.979 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1832462116 AMVPWAMLELMCTK-OAQYLSRUSA-N 436.578 0.955 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833131577 KKNIGHUYPFVHAS-AUSIDOKSSA-N 431.533 0.962 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833352117 XLWHRAWULFGDCK-OAQYLSRUSA-N 442.451 0.780 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c(O)n1 1833699157 SVJPXSLCQFJJFB-QFIPXVFZSA-N 446.504 0.064 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1833875593 LOVBFIQNHCZSLK-JOCHJYFZSA-N 438.488 0.390 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765744 UYOSKBZQNPDLLD-FQEVSTJZSA-N 431.449 0.644 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767707 QGXRYXXBJJXFBC-KKSFZXQISA-N 434.493 0.273 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1C(=O)O 1835354237 QTPGSCUYLFEVLE-HXUWFJFHSA-N 433.465 0.536 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1835750246 MXWLKDJCVYOQBN-UHFFFAOYSA-N 443.548 0.999 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccccc1=O 1835824089 IUBDSELKMUOYNZ-INIZCTEOSA-N 428.489 0.069 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)n1ccnn1 1836513866 XLGFDNXUFLGTRX-KRWDZBQOSA-N 444.584 0.693 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3scnc3c1)CCO2 1837066649 QXDYIYMOLBPQPX-HXUWFJFHSA-N 429.454 0.454 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1837394901 KYDQIOZYTIXVSM-IERDGZPVSA-N 436.509 0.072 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1837403298 QUGNZDXHSJYQIR-KGVIQGDOSA-N 434.537 0.549 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841532 MMMUSNNFVVYMGU-INIZCTEOSA-N 430.496 0.789 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837955323 MLIOMUOZEBLVRO-GCJKJVERSA-N 433.505 0.733 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1838579302 IVRYNDVSZYDUEH-QFIPXVFZSA-N 427.457 0.616 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1838583562 IJEWVJWTILPXKM-VAWZGJIGSA-N 441.484 0.529 30 20 ICED CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C 1838737921 FSHSBDYOSCILTQ-OAQYLSRUSA-N 426.477 0.795 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085037 UDPGYXXNAWWAJW-MSYCTHLASA-N 431.533 0.647 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1839175085 OUOCNVXNFUMPDT-IOUFHMPJSA-N 447.488 0.962 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)c1 1839186520 ZHTXXVNPSCLVQH-QFIPXVFZSA-N 441.463 0.744 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419644 NCVBWNBDWMISKT-HXUWFJFHSA-N 428.424 0.210 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 1839810824 UDNQDONQHYQQHW-VGOFRKELSA-N 435.521 0.866 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccccc1 1839864531 ZVLAYRDDJFBTLL-HYBUGGRVSA-N 441.528 0.906 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839888716 FBFCSSGUQNKPTI-LJQANCHMSA-N 442.463 0.811 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1)C(F)(F)F 1839891495 IGQSAVFHNHDRNV-SFHVURJKSA-N 435.443 0.868 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840318383 CXRWGHKUTQMYDM-QFIPXVFZSA-N 444.488 0.303 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840482864 DQYFAMZRZDUFRL-HTAPYJJXSA-N 433.505 0.237 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1842919208 GERJYKJKKIFYSZ-UHFFFAOYSA-N 433.534 0.584 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1847101573 KZUMWCAKYPPSJR-AWEZNQCLSA-N 436.513 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(C(=O)OCC)CC1 1847265383 WJFCBOLGFQMBHH-SLXDBMQSSA-N 432.521 0.915 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CCC(N)=O 1847939166 BAWASNACHGTBTQ-VGWMRTNUSA-N 437.541 0.250 30 20 ICED N#Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH]c1C#N 26275092 ZNQJIDKUHGJKNF-UHFFFAOYSA-N 442.457 0.964 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O 26754402 XQLQAMRSGOCFSL-UHFFFAOYSA-N 448.526 0.661 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCOCC3)nnc12 36332612 FBVFZYDNTRQNRS-UHFFFAOYSA-N 428.518 0.771 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c(C)s1 409566788 DAAIQUJIYPINPE-CQSZACIVSA-N 434.565 0.140 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 429622133 WUFGIGQCKLMVQW-UHFFFAOYSA-N 425.902 1.351 30 20 ICED N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCC1 439086201 ALGUEZWLYZWRDR-UHFFFAOYSA-N 432.490 0.851 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccc(N2CCC2=O)c1 443332126 GZJOCHIPIRQTTF-UHFFFAOYSA-N 429.440 1.439 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)CC1 445769457 ZNYUKLBVALCTBT-IAGOWNOFSA-N 433.534 0.025 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 460620461 SIBIJHGRTZMKLZ-INIZCTEOSA-N 431.460 0.961 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 468770369 ARQARJVKQKJURV-OAHLLOKOSA-N 436.534 0.961 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 481789342 WUNPITBICLHUFR-MRXNPFEDSA-N 434.449 0.737 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 482554895 NSJZWPXVIRIFGT-UHFFFAOYSA-N 444.538 0.824 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3csc(C)n3)c2=O)cn1 489034679 CCMYZZJCXUMFIT-ZDUSSCGKSA-N 441.538 0.989 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 498390826 QELPBJQOCMQLKN-UHFFFAOYSA-N 437.504 0.286 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 500064667 HMQJDXXXWGBUFK-UHFFFAOYSA-N 442.563 0.463 30 20 ICED CCc1ccc(O[C@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 524247357 USBLWPLRFCRPEQ-OAHLLOKOSA-N 425.489 0.634 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 533083839 FRKKVGWLUNGZAM-KRWDZBQOSA-N 440.547 0.109 30 20 ICED CNC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 543847818 IURCQRMMUMDTOZ-DNVCBOLYSA-N 429.521 0.803 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 544168651 GJOXSHBHBMBQJX-HNNXBMFYSA-N 438.506 0.310 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 554673177 PYQGNXKQAARFKH-KRWDZBQOSA-N 439.559 0.793 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 568318467 NOMTWMDCPGEJJM-HNNXBMFYSA-N 437.422 0.876 30 20 ICED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 569348803 HSPPNLRUNITGHN-UHFFFAOYSA-N 436.803 0.917 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)n2)c(F)c1 570877785 CRCHDXHIZUEQHY-LJQANCHMSA-N 440.479 1.535 30 20 ICED CCCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 583893554 DZIOJFSANXKMGR-PMACEKPBSA-N 425.533 0.966 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3ncccc3c2)c1=O 604270240 VNTYHXWQHUYPQJ-UHFFFAOYSA-N 447.520 0.328 30 20 ICED CCCCN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 609280885 UJOXPHBVJIAWSF-KRWDZBQOSA-N 440.504 0.937 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 611005771 RIYPCZONAYQLJB-MRXNPFEDSA-N 429.458 0.834 30 20 ICED C=CCn1c(CCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 669817856 ASJWUILOLNQONW-UHFFFAOYSA-N 436.520 0.716 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725768834 OHVQHKMTNZLTEB-FQEVSTJZSA-N 448.549 0.487 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)C1=O 726040625 XONUUWIFRVNCBC-UHFFFAOYSA-N 428.426 0.929 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 728532862 MOLIKQAMBOAINW-LJQANCHMSA-N 432.546 0.123 30 20 ICED C#CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 728573186 UBTGEDPHMVCEOE-UHFFFAOYSA-N 431.562 0.421 30 20 ICED COCCN(CC(=O)N(C)C)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 733163633 PQQGOGZRPPYNIU-MRXNPFEDSA-N 438.550 0.703 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)NCCNc2ncccc2C#N)c1 735517252 AURODOOYXHTVIY-UHFFFAOYSA-N 432.506 0.789 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 737167574 JHQGQDQCMXUSRB-UHFFFAOYSA-N 430.417 0.683 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCC(C(N)=O)CC2)c1 749706254 YRTIZXFZDACBPC-ULJHMMPZSA-N 449.533 0.598 30 20 ICED Cc1nn(-c2ccc(Cl)cc2)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755805947 XFVNTGZTMSDENV-UHFFFAOYSA-N 436.881 0.544 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)Cc1ccccc1 757153274 XRCYHIRUWGFNPM-MRXNPFEDSA-N 443.533 0.688 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 759241686 XDMNWTQXPRDJKP-GJZGRUSLSA-N 430.461 0.827 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)n(C)c1=O 764301343 IFHWYLYCDXEFRD-UHFFFAOYSA-N 431.796 0.896 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 766245426 DMGDYHOMKHLEGS-SXLOBPIMSA-N 434.562 0.406 30 20 ICED C#CCNC(=O)C1CCN(c2ccc(C#N)c(N3CCC(C(=O)NCC#C)CC3)n2)CC1 767184378 BDHAAKYOWKQGAV-UHFFFAOYSA-N 432.528 0.885 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)cc1 769766477 IXJHVOCQPZPISE-UHFFFAOYSA-N 445.501 0.913 30 20 ICED C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891018 QWHZPFYVRPQKPN-ZETCQYMHSA-N 433.273 0.854 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[C@@H]1CCCO1 773791245 CJRJDHYFLUVKFE-MOPGFXCFSA-N 448.545 0.248 30 20 ICED C[C@H](CC(=O)OCc1cc(O)n2ncc(C#N)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 783903092 NKCSAACQPGGRHT-LLVKDONJSA-N 440.441 0.867 30 20 ICED Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 785558977 KDBIXTOAZDVVIU-HXUWFJFHSA-N 436.516 0.980 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1(C#N)CCC1 787597414 LAECPGCJPWFQLL-ZDUSSCGKSA-N 437.474 0.620 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)n1 789787860 MYSTZQWEJAXSMR-UHFFFAOYSA-N 438.448 0.114 30 20 ICED C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 790871013 PXCCIFQBGNEGPH-IRXDYDNUSA-N 428.532 0.475 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3occc3c2)c1=O 795197167 IOYZFVJGBQKZKT-UHFFFAOYSA-N 446.532 0.956 30 20 ICED C[C@@H](C(=O)OCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)n1cnc(C#N)n1 798741900 FKIGIGLICPWSNN-RNODOKPDSA-N 439.432 0.228 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799284958 RWAHMJCAYBVXOH-CYBMUJFWSA-N 425.283 0.510 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807783434 MZOMMMCNPRCFDZ-WCQYABFASA-N 427.445 0.514 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O 812255795 UPJBJXKULSWWDN-HXUWFJFHSA-N 432.481 0.964 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2=O)cc1 812502766 ONNDIOOUZOLOMW-RDJZCZTQSA-N 444.469 0.372 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 815688889 SHMYTWFOXJUKRP-PAQHZSDTSA-N 448.545 0.915 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785101 JEGKMRULIVIEHF-UHFFFAOYSA-N 430.490 0.807 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC1CCC2(CC1)OCCO2 919034137 LOGXGPZBBODMPT-UHFFFAOYSA-N 437.474 0.182 30 20 ICED N#C[C@H](C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)N1CCCC1 919665452 YFWGZNIDFUIGEA-GOEBONIOSA-N 431.470 0.955 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1 1255764665 LQTLJSVEZHDTDT-IBGZPJMESA-N 440.504 0.439 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1303050654 WPLKAZQQUNIVOO-HKUYNNGSSA-N 449.577 0.138 30 20 ICED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 1306970910 WHYFQMWOFZCMNU-UHFFFAOYSA-N 428.474 0.752 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(F)F)C3CCS(=O)(=O)CC3)CC2)o1 1307737945 UFDAUZAVKQGCAF-UHFFFAOYSA-N 445.492 0.648 30 20 ICED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1322427080 HYLXMPVHEZNSJK-CQSZACIVSA-N 438.531 0.517 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 1475259625 BIEAUNLQDBROLA-QGZVFWFLSA-N 433.527 0.900 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CCO1 1521138006 WZEMBDMYNDDPDF-MRXNPFEDSA-N 445.549 0.721 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1617444820 UTVUGHOSROINES-NDEPHWFRSA-N 437.547 0.732 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618845811 QDDYUPDDVVXJON-LJQANCHMSA-N 443.577 0.903 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1Cc2ccccc2OCC1=O 1644505851 ORMJXCWDONBNRQ-OAHLLOKOSA-N 442.497 0.762 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1723590885 NMODXLGCXRHPSM-IIBYNOLFSA-N 448.547 0.801 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCSC2)C1 1771361025 IWSBIHATIXGYKU-JKIFEVAISA-N 444.558 0.806 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1780793713 QAFLOQFENKRCFJ-FJVGUQRGSA-N 433.553 0.593 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1CNc3ccccc3O1)C2 1782010718 WRWJJOMSUUTHNT-XKDCRVNJSA-N 441.484 0.852 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1782181397 KJUVSRIQFDMUIR-UCMVZMLTSA-N 442.563 0.284 30 20 ICED O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782316083 UYWJCZAQOKVIDU-CCZRKIPMSA-N 442.472 0.137 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1783046947 YJSQTWZUHADVEX-OAQYLSRUSA-N 439.509 0.007 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1783558276 WJINIDGWDIGXHB-SFHVURJKSA-N 425.363 0.561 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783921213 LLNYKKPZMXINGU-QVKFZJNVSA-N 439.509 0.849 30 20 ICED C#CCO[C@H](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 1784481454 QIBSHPQREAKQST-HLXURNFRSA-N 432.517 0.760 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1784494761 CFDQRXOHWJMGBR-WDSOQIARSA-N 430.505 0.983 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1788628608 YAHONDUPBXCBCI-FHWLQOOXSA-N 431.533 0.287 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1788631047 GDINWCOZMCDRDF-IHPCNDPISA-N 426.517 0.697 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(I)cnn3C)C[C@@H]21 1790791595 GWQXJLCJNVHZFC-GVXVVHGQSA-N 442.257 0.251 30 20 ICED C#CC(=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 1790792718 ZZCYVSBJPPYBLK-JCECYMMASA-N 435.521 0.217 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnccn3)[C@H]2C1 1791696797 QXQHHRRTCMEJQF-ZOPGNSJXSA-N 426.521 0.751 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1 1791987679 IBKCYYAQXFNBNR-FALOATQWSA-N 426.517 0.630 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424147 GVIJIYPKVAQHHM-XAPVIXHLSA-N 442.516 0.232 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCOC 1792846906 ZKWVOHJUZVVKGE-SFNKJDCFSA-N 437.537 0.919 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262948 XLKFLKJKSFWSHG-DMUMMCEESA-N 429.517 0.906 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CC(N)=O)c(C#N)c1 1793432099 KLLKMFVCEPPWBG-DBDYQOSUSA-N 428.489 0.210 30 20 ICED Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081425 BGGHHONGEXSIJR-DDFAGTSDSA-N 443.245 0.142 30 20 ICED NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccccc1 1795672518 CRVXYBMHALMHOU-QUEUFTFXSA-N 427.549 0.790 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2cccnn2n1 1798420126 KRKJLWSUYVIGNX-UPHUGPLXSA-N 437.500 0.631 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1 1798579799 SNUJTJRVJSIDFU-UKBAYJJMSA-N 447.513 0.347 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1798920140 IEUPYOKPDBFLDI-HGKCTWBKSA-N 434.456 0.015 30 20 ICED 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)C1 1801561774 WLUQILKIEBVVCA-MHORFTMASA-N 434.537 0.054 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1801990332 UBXFCRRIJZIDCB-YRPNKDGESA-N 425.485 0.614 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802241943 NVMRFTHCDXYUST-XOIINTDNSA-N 437.493 0.215 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)CC)[C@@H]1c1cccnc1 1802478590 USLCPBJAIVNYMF-DCTNLQOOSA-N 448.545 0.381 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)[C@H]2c2cccnc2)CC1 1803452376 MSSSHFBLLSSEDB-XUZZJYLKSA-N 437.544 0.665 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1804963029 RUKIXSCSYOTGTJ-SIXWZSSISA-N 437.456 0.928 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807150747 OMGLDITXDUJJSE-AEFFLSMTSA-N 430.509 0.725 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814808153 RYWJFLXAGWNQDU-KGLIPLIRSA-N 426.502 0.833 30 20 ICED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)CCC1 1817816964 PJTNDTSDVZUELY-ZDUSSCGKSA-N 436.436 0.535 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2NC(=O)C3=O)n[nH]1 1819196244 JBJZPAWUUUULQQ-AWEZNQCLSA-N 435.396 0.938 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536400 NIAWCOMFVLBNMN-HYLGSWLWSA-N 443.533 0.784 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972653 GVLCMISAVYSMLF-NVXWUHKLSA-N 435.525 0.959 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)CC1 1828503723 BHFAOFKLWQGDHK-KRWDZBQOSA-N 441.488 0.338 30 20 ICED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1)C(=O)C(=O)O 1828916224 LWPXGIBVMCMQTH-MMTNMYCKSA-N 449.552 0.621 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830654924 HXCOLGCKSAANRN-MBSDFSHPSA-N 442.516 0.924 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831213006 FNMDWOUBKFTERC-QHCPKHFHSA-N 447.532 0.723 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831452376 PVZZARIAXVWISB-RKVPGOIHSA-N 436.596 0.078 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1832898413 BZBATNJCLWXZHR-QFIPXVFZSA-N 442.447 0.898 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833087257 NAOHXEXAVMIRQV-HSZRJFAPSA-N 444.532 0.347 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1833475988 PCTGGGSVIQRVEA-AWEZNQCLSA-N 433.509 0.664 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833490030 ZQWRPGVTHMIXIL-NVXWUHKLSA-N 439.582 0.111 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833663142 PACWDBNHNXKSED-XXBNENTESA-N 446.548 0.791 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c(O)n1 1833698863 OQDXEHISGIUEQD-KSFYIVLOSA-N 432.521 0.571 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1833806551 CZWLDODZZNVPOS-QHCPKHFHSA-N 435.484 0.969 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cc3ncccn3)CC2)CC1 1833875990 RUXYHOKRQTZGPM-UHFFFAOYSA-N 441.580 0.873 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1 1835100432 SDPCHPQPPOTQDM-QHCPKHFHSA-N 436.468 0.607 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)[S@@](=O)c1ccccc1 1835346923 ZSOKIIHKUTWNBU-FYQXTDFZSA-N 445.541 0.943 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c1 1835858207 CFCCWFAMLPOFCS-FQEVSTJZSA-N 429.408 0.510 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)o1 1836025374 JIXFKMOIXSHGGT-OAQYLSRUSA-N 425.445 0.562 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1837446362 KAIBJHUYXFHWCN-CGQCSVSCSA-N 434.562 0.790 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837493364 BDUINWQZDOWJLZ-QHCPKHFHSA-N 445.516 0.681 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837559919 KADGZPKYILUBQA-XZEIMLRBSA-N 434.493 0.023 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837562775 PIYNJVKVGFCFIK-UYAPEEHZSA-N 441.484 0.889 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc(O)n5c4CCCC5)CCO3)C2)C1 1837753967 AHPREESAJJVNFP-QFIPXVFZSA-N 430.505 0.961 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)ccn1 1837977728 OJONGSRXVZDFOY-YVABFXQFSA-N 442.472 0.872 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)OC)CC2)CC1 1838386661 OJNOBFFAMFKSJN-KRWDZBQOSA-N 425.526 0.914 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1838580589 LTJREOBQVBFQJL-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838651418 SBHHLAGLKODBCE-OAQYLSRUSA-N 433.461 0.367 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)cc1 1838950483 YFNWDPRSOPLVAN-HXUWFJFHSA-N 427.486 0.981 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3F)CCO2)C1 1839290624 XJCWFBNUPNVKKZ-OPAMFIHVSA-N 434.464 0.943 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCO2 1839396656 CBABKLXRNDWPCD-JOCHJYFZSA-N 438.440 0.235 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839641346 FPGZIMIPTIDDMT-WVMHDHGMSA-N 440.541 0.312 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839642062 CJMWLDVIVBNPLN-UWJYYQICSA-N 425.526 0.292 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1)C(F)(F)F 1839892164 XFCHRTCSQGKXTC-GOSISDBHSA-N 442.394 0.369 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1O 1840163970 URKSAHAKWWCXBW-XCLFUZPHSA-N 437.518 0.739 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840168365 HYSGJIUUKDZQJZ-QFIPXVFZSA-N 441.488 0.205 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1840322475 HAKMVZVZOMAZET-AOMKIAJQSA-N 444.488 0.740 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841894713 GYAQTUVLKYYBJK-UHFFFAOYSA-N 430.530 0.414 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848217874 OJHHOUBQNXGVEG-COXVUDFISA-N 444.488 0.704 30 20 ICED N#Cc1cccc(CNC(=O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 439290348 WKVANUWLNWRQGN-UHFFFAOYSA-N 433.456 0.625 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 442141164 SYAJZBRDCLBJAG-OAHLLOKOSA-N 444.879 1.123 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CCS(N)(=O)=O)CC3)C2)c(F)c1 443431242 VGHIHKJBXRANFL-MRXNPFEDSA-N 438.529 0.282 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 443770559 BCMKWPRAPJFSII-UHFFFAOYSA-N 430.486 0.936 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2ncccc2C(N)=O)CC1 462101621 LDHXZMUVMXPVSU-UHFFFAOYSA-N 431.460 1.295 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(CC#N)CC3)c(Br)cc21 462168791 RDKAXBRNOJRFIO-UHFFFAOYSA-N 428.312 0.469 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465195342 RPHWZJYQSYTZOQ-JSGCOSHPSA-N 446.537 0.103 30 20 ICED CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 478179715 IXRPPPOVCLOPRI-HZPDHXFCSA-N 426.433 0.647 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccon1 480927664 BPLYSOMRNSECKA-OAHLLOKOSA-N 426.454 0.337 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481773820 CBSRPCSSJDSLLX-INIZCTEOSA-N 426.491 0.490 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1=O 481922301 QTLJGXGADSLRRT-UHFFFAOYSA-N 436.350 0.885 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](COC)C(=O)OC)nnc12 484365822 HMZLSVLUEDSCEH-ZDUSSCGKSA-N 431.474 0.627 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 498171189 AGVVSODOOWUMHT-UHFFFAOYSA-N 436.472 0.617 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCCO2)c1=O 505698954 FEJNTGICEXWBEE-MRXNPFEDSA-N 441.557 0.646 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 513111442 FLEQTAJWTIUMJX-WMLDXEAASA-N 445.501 0.574 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O 518469555 OTMHHYZIJWPQOH-UHFFFAOYSA-N 432.864 0.787 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2C)c1=O 522283901 WLCGRHICXDNWEF-UHFFFAOYSA-N 435.571 0.972 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)CC2)o1 526998721 OCEHEDLJBXTVAW-UHFFFAOYSA-N 428.497 0.584 30 20 ICED CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 536295706 MEYSJXCXOABIOA-YJBOKZPZSA-N 437.566 0.434 30 20 ICED C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1S(C)(=O)=O 537373381 YVYGNYMXMPCURF-JKSUJKDBSA-N 425.580 0.423 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 538497642 GKSZXPYNJJQXCD-UHFFFAOYSA-N 430.555 0.790 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CCN(C)C3)c2)c1 546589360 QJYPBYQCFCSAGC-DEOSSOPVSA-N 435.480 0.994 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 547268416 MLAXPUODIMOVML-UKRRQHHQSA-N 446.489 0.467 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 549258354 LBHHOHGKOFECMT-IAGOWNOFSA-N 442.586 0.867 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 549677833 JETUNUXYYRNMSU-MRXNPFEDSA-N 445.549 0.985 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 550183475 DMJHSQFTHBNJBM-IRXDYDNUSA-N 428.537 0.606 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 553330598 OFOWTXMIZCBAQZ-UHFFFAOYSA-N 436.559 0.568 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 556668855 DBEXSSMKUAMNJP-CQSZACIVSA-N 427.484 1.036 30 20 ICED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 564504799 KHBKSAHLYDAMHL-UHFFFAOYSA-N 446.533 0.988 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 572554677 CDWXODUSLQHWAV-MOPGFXCFSA-N 426.517 0.582 30 20 ICED COc1cc2c(cc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)O[C@@H](C)C2 576132654 XVKAERYWVPGVMW-LBPRGKRZSA-N 426.477 0.903 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587654803 SRMHBNLVSLNDOO-UHFFFAOYSA-N 428.537 0.607 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 608911601 BWCBXPOMTQLUBA-UHFFFAOYSA-N 430.578 0.260 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 608923348 UQFOUBFSMPENDW-UHFFFAOYSA-N 434.566 0.357 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2ncccc2C#N)C1 728210386 ZDNOIIZXLLRTTH-INIZCTEOSA-N 431.522 0.922 30 20 ICED CCCOC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737293716 AAFIOUROYLNDDA-JWGURIENSA-N 438.506 0.897 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 742407578 HHHQQBAMLLJBOG-UHFFFAOYSA-N 448.526 0.572 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[C@H](C)O)cc1C 748784898 KURLVGXDYLEPPD-YOEHRIQHSA-N 425.507 0.635 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)n(C)c2n(C)c1=O 751649180 JKOKRRAZYBMTSM-ZDUSSCGKSA-N 427.442 0.471 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1F 752046719 ZEDGISGXTBEUJE-DJJJIMSYSA-N 438.481 0.740 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755185108 LEIRHNHJHLRDJM-STQMWFEESA-N 426.470 0.446 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2csc(CC)n2)c1=O 758090292 PLATVJDBFIPPJR-UHFFFAOYSA-N 430.580 0.640 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CCO2)c1 762001740 DJAYVZQUGQQQMI-HXUWFJFHSA-N 438.488 0.626 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCc3ccccn3)c2=O)cn1 772302459 ISTJYPCPCRUXJG-UHFFFAOYSA-N 434.525 0.874 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 777361102 NDEFLEPGDRUPCP-GFCCVEGCSA-N 430.446 0.050 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCc2ccc(C#N)cc2Br)n(C)c1=O 778077474 LINIADKHNDCGDS-UHFFFAOYSA-N 432.234 0.811 30 20 ICED N#C[C@@H](C(=O)CCNC(=O)c1ccc2ccccc2c1)C(=O)N1CCS(=O)(=O)CC1 779209154 LEFDVHVVRQWBQS-SFHVURJKSA-N 427.482 0.926 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 783482452 XVORMDVDFRDCLI-LLVKDONJSA-N 428.413 0.729 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 787776020 SLZZIIMULZXBQM-UHFFFAOYSA-N 426.452 0.773 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 787779105 UXEAJAGTBZUNAF-UHFFFAOYSA-N 441.536 0.028 30 20 ICED C[C@H](C#N)OCCN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 801910812 BJCDWFVQQIQUTD-GFCCVEGCSA-N 428.898 0.906 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 805276400 XMIFSLWJUBFAPY-INIZCTEOSA-N 425.507 0.705 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806126834 XOKGKAOSHDIUHA-CYBMUJFWSA-N 442.437 0.577 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 812932641 ADQNBBVDUUZKKI-UHFFFAOYSA-N 427.526 0.999 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O 816753289 DXBZVYUIVHGPEJ-LSDHHAIUSA-N 427.479 0.213 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 837967800 AORQOVMSSQKWCJ-UHFFFAOYSA-N 435.509 0.505 30 20 ICED COc1cc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)ccc1OCC(N)=O 849086604 DHWLIXPWAIOAEX-HNNXBMFYSA-N 433.509 0.940 30 20 ICED N#C[C@H](C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1)c1nc2ccccc2s1 917085472 RMLIJJBTTVDHNG-MRXNPFEDSA-N 427.530 0.949 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921101551 NWNPIGYRENZGBY-UHFFFAOYSA-N 439.519 0.565 30 20 ICED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1315114885 RPVDUSXZCSEIQC-UONOGXRCSA-N 441.558 0.963 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CS(C)(=O)=O)C1=O 1318560546 BEXLUUGJBCZLFS-GXFFZTMASA-N 426.520 0.286 30 20 ICED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503806847 PBLYQQFUYXORGL-UHFFFAOYSA-N 425.497 0.146 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1504345873 YBACGDWGKKPAHY-CRAIPNDOSA-N 446.533 0.964 30 20 ICED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCN1C 1629590983 LJNNSERYEPIXRW-JXFKEZNVSA-N 433.578 0.709 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704303 JDBWMBAQHJKWTB-OAHLLOKOSA-N 430.534 0.739 30 20 ICED C[C@H](CC(=O)N1CCCC[C@H]1CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1641075889 QBLSAOJRKXTZHP-KGLIPLIRSA-N 427.548 0.929 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741703050 RHWWRCAZAHUMGA-KRWDZBQOSA-N 446.533 0.877 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1747544862 PKGZPTCRXCTNLN-QFIPXVFZSA-N 439.520 0.178 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC[S@](=O)CC)CCOC1 1765913613 OUUKFGILLCXTJW-GSSBPKBBSA-N 436.582 0.875 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1767573082 YAPNYFKPFOSAGF-HNNXBMFYSA-N 437.508 0.809 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951937 OFHSBMMOTDWHQQ-OMJZWIOZSA-N 442.476 0.702 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1777963722 ZYFKKSHDKSAHNU-GCKMJXCFSA-N 438.525 0.690 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1779334937 AOOFUNVNENKLKU-PDSXEYIOSA-N 434.541 0.407 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912845 IDBXISRVGFDISZ-GAJHUEQPSA-N 438.532 0.730 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781056062 YYVLOWFTTBDROM-NFAGZSARSA-N 445.564 0.689 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)ccc1F 1781299907 IHGUCHGPWXZBPJ-FQEVSTJZSA-N 435.477 0.888 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1782647036 GXCZBKDHYKCCAI-HXUWFJFHSA-N 433.509 0.625 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)cc1 1783626038 NGVZFHMYRWGNTQ-TUFLPTIASA-N 438.528 0.997 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cnnn1 1784598216 PZRILNQSHCUXPY-XOBRGWDASA-N 427.440 0.317 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1785573237 SZUGXMBNARPMJT-OPAMFIHVSA-N 443.504 0.837 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cc1O 1785594695 QCIDSTHGCYSGTP-ZABXYJNLSA-N 435.481 0.248 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786363875 FJETWBMWEIEPST-NXOAAHMSSA-N 436.509 0.516 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)OC(C)(C)C)[C@H]2C1 1786621448 CVIBQKMDUCIEQQ-OWSLCNJRSA-N 437.537 0.871 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573231 QPMDDBULFKDOGM-QZHFEQFPSA-N 427.505 0.859 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccnn1 1790640701 QSEYXNVFBNWYEG-DVBHBNPLSA-N 434.497 0.348 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1792490592 IIVMYVZFPXNVMA-PKPDMIBBSA-N 446.435 0.796 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832129 QIHYACPERAJYQT-HNJRGHQBSA-N 444.488 0.145 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793220361 KASDKIVQUQXEOU-HGKCTWBKSA-N 438.525 0.811 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793384228 PPURRZIVUHAGEM-VZJWBNGJSA-N 446.573 0.884 30 20 ICED Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793525921 JODMCKMDGDQEKU-MBJWIZQDSA-N 433.509 0.769 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793663242 XRDUEEFXDCAGHE-KPEUIFRASA-N 447.561 0.804 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1795078067 PEVBZXMBCCHDCQ-HGKCTWBKSA-N 439.447 0.548 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc2[nH]ncc2c1 1797345787 OVVNTBRHJZMZQJ-VLBSKRNUSA-N 425.493 0.633 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705831 ZLJNOFWOMUZETO-MHORFTMASA-N 441.594 0.869 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c1 1798576872 YKUOTBHMXLYKLB-DFYYWFRZSA-N 426.473 0.296 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1799304174 SPQAUUJKZFTWQX-HGKCTWBKSA-N 427.461 0.442 30 20 ICED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324499 KRRRSCHPJKMNGG-CWPLJXCYSA-N 441.463 0.885 30 20 ICED C[C@H](N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CC1)c1ccccc1 1800779165 WRELGXFYKGOWEA-KCUUWUSMSA-N 439.512 0.793 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1800992721 WPJUBEMHGILAEX-SFNKJDCFSA-N 437.537 0.919 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801995798 RHQBNZXVKVNOPT-QIBIHATKSA-N 439.516 0.998 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1802035533 RWRPZFXMIZFPAH-RCLSDMTESA-N 433.549 0.579 30 20 ICED CC(=O)Nc1cccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1804832734 UGQWVYMRXSHTMY-IERDGZPVSA-N 435.440 0.843 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807624365 SHTFWLCTFYYUKM-GCJKJVERSA-N 446.471 0.725 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1808439493 SCCKIRMJVRKATG-PXNSSMCTSA-N 426.477 0.889 30 20 ICED N#CCC(=O)N1CCCC2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1809025050 FZXFUGXSVJEAGD-JKSUJKDBSA-N 447.561 0.311 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067004 QUOUPYFNLQDTEN-RYUDHWBXSA-N 437.522 0.157 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#Cc2ccccc2)n[nH]1)C(=O)C(=O)O 1816957518 SXWLATNYEOTSDF-QGZVFWFLSA-N 437.456 0.997 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819844389 UPSNSDPSPVTYFI-KBPBESRZSA-N 447.561 0.347 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)cc1 1819892376 ZZXYXHYKDYWTRQ-YWZLYKJASA-N 441.513 0.891 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032657 PRBJVFQNARAGPW-WDEREUQCSA-N 428.474 0.296 30 20 ICED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)C(O)O)C3)C2)C1 1828484849 QCNPJEQJKSFEDD-QHCPKHFHSA-N 443.500 0.715 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)N1 1828995750 PVCIXPZCDRUORV-XBWYWLENSA-N 443.504 0.916 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1830458416 BXLRGSPOUWDUTP-NRFANRHFSA-N 445.545 0.574 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830873297 OGJBANGTWVCKEG-SIKLNZKXSA-N 441.488 0.521 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1831406833 HIXRZTPJMWPSDW-REWPJTCUSA-N 446.548 0.911 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831412999 LDRORKRHRLQXPC-JOCHJYFZSA-N 448.520 0.554 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831487997 UQEUREOEQVBHOE-XLIONFOSSA-N 433.534 0.754 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)no1 1831670934 GKDVBANCYFQCPX-KRWDZBQOSA-N 430.461 0.421 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832062149 KFZRTYNYJRQEBW-JVLSYQRKSA-N 438.525 0.066 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(F)(F)F 1832160608 LWRZLAXONPUVSD-SJORKVTESA-N 430.383 0.270 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1832461334 SGIUONIBISEKIT-DENIHFKCSA-N 434.558 0.966 30 20 ICED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccco1 1832664303 PDADSFCWFOLCDJ-QDLBXXMRSA-N 449.460 0.448 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1833475300 MNHQDMXEBGTECC-HNNXBMFYSA-N 433.557 0.482 30 20 ICED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833520635 CGOLMWHAWGOYSC-HUSFYUSLSA-N 431.537 0.782 30 20 ICED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CCC1=O 1833690748 ZJCCTWVYJOZJJI-UHFFFAOYSA-N 428.537 0.860 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC)nc1)CCO2 1833885263 CHNJDSBKLWCOOF-YLNCNTMDSA-N 442.516 0.572 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626544 QKEUHQKCJVRJBH-IBGZPJMESA-N 434.581 0.754 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C4\C(=O)Nc5ccccc54)C3)C2)CC1 1835344791 UXRUWPURBLPRHC-XHAORJAKSA-N 436.468 0.782 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680599 MKOARCCVTBWBOK-QFIPXVFZSA-N 446.552 0.307 30 20 ICED N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1835702659 XBRZKZXXLKPGGI-NMUQBYKOSA-N 444.536 0.010 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1835821482 VRPPQLWTFKZMKQ-MSOLQXFVSA-N 434.581 0.901 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034575 VEXWPKRKBRQCPY-PWYGXMRTSA-N 447.511 0.691 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836483368 AGXOVQQKSNUVGY-DYESRHJHSA-N 447.467 0.214 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488742 OLVXIFMCAKPKMD-QFIPXVFZSA-N 431.489 0.752 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837493731 UYTYCLSQYBDRBG-RDPSFJRHSA-N 448.560 0.958 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837531319 JDNKXOMPIWPOIT-CMEFWWCBSA-N 448.476 0.386 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1837841836 DTNQGTNRTUENDC-KRWDZBQOSA-N 430.509 0.091 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839160636 LSNBYYBLIFJDDE-BMSLLPBFSA-N 435.502 0.078 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1839176154 YKFAVECVEURDOO-UTKZUKDTSA-N 434.493 0.410 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649489 TXEDJWKAXLITIL-KKSFZXQISA-N 434.493 0.162 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840143880 HOULRLSDCFJDBX-ASKKUZCQSA-N 426.535 0.517 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(O)c3)CCO2)C1 1840265348 ZDFJKBCLJJKXAV-WZONZLPQSA-N 430.501 0.820 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840536514 QGSSNPZXOMFBRE-FZDFPFJHSA-N 425.482 0.008 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1840713563 FSRLRUVYVSMRHA-VGSWGCGISA-N 438.488 0.675 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1840841066 AWYNLWGPZOBDKG-OAQYLSRUSA-N 432.477 0.646 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(CC)CC1)CCO2 1840925541 AJMWDXVIHHVGTH-IYZQMXKPSA-N 448.564 0.033 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nc(N)nc(N)n3)nnc12 17714308 QSDBYISBBFUMQZ-UHFFFAOYSA-N 439.461 0.415 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 440999261 KVGZSBKMXNAUSG-HNNXBMFYSA-N 444.410 0.589 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 467419375 QPAWYZDJIJDBDS-CQSZACIVSA-N 426.516 0.678 30 20 ICED Cc1cc(NC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)nn1CCC#N 469922473 ARJSMJKPYFZIHP-GOSISDBHSA-N 427.513 1.448 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)nc1 474341644 KVRLGDPZVNDCHK-UHFFFAOYSA-N 448.570 0.281 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 477686635 CSMRPBZPQUFQPR-UHFFFAOYSA-N 446.533 0.466 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 478438260 LKIQVECUIVQCBG-UHFFFAOYSA-N 434.543 0.802 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 491188328 QFRVLOSFYNIBNP-UHFFFAOYSA-N 448.523 0.932 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 501920019 LLMJBZAHXHBAJF-WFASDCNBSA-N 435.462 0.355 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)c1 502041942 JJAUMMPDENOLFU-UHFFFAOYSA-N 437.525 0.916 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCO[C@H](C#N)C2)c([N+](=O)[O-])c1 520684355 HILILKKVJHFHGP-CYBMUJFWSA-N 426.451 0.755 30 20 ICED COC(=O)c1cccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 534490492 FOLXXWVKAVPWIT-HOTGVXAUSA-N 436.534 0.816 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C#N)cn1CCOC 538534216 CGZSKMGCMATLGM-UHFFFAOYSA-N 431.449 0.986 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 538587233 NXFMQIWBFKNLFJ-GJZGRUSLSA-N 436.534 0.710 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 539181553 NEIBZLONMJKEBZ-MRXNPFEDSA-N 429.525 0.819 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 541082182 YUVRJLZSXWTGPQ-UHFFFAOYSA-N 434.499 0.870 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nn1 544766881 JQPLCFVEHNUHFM-UHFFFAOYSA-N 446.489 0.734 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 551474191 UYMLKSSVDKOUIC-UHFFFAOYSA-N 439.447 0.966 30 20 ICED N#Cc1ncn(CCNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 553803221 YALHWWPHGSCKFN-INIZCTEOSA-N 429.456 0.306 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 557496364 QREVWWNSSBQODA-SELNLUPBSA-N 440.500 0.572 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 566879844 QUZLIPMRPCAAQZ-UHFFFAOYSA-N 434.449 0.958 30 20 ICED CCc1nsc(N2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 571488687 NPTUEPDEXGQBOA-UHFFFAOYSA-N 434.547 0.989 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)nc1 581030278 WFLBLKVNSVSJST-RTBURBONSA-N 426.521 0.361 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)CC2)nc1 587658746 DOGWEYKKSJDULO-UHFFFAOYSA-N 437.479 0.921 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 608828792 LDXLGGCCBRMZFD-UHFFFAOYSA-N 446.488 0.182 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311680 NROADEQGFUVMEU-UHFFFAOYSA-N 432.458 0.112 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 728535093 YKBPSIJMWNVAQC-HNNXBMFYSA-N 432.908 0.595 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729671628 REMJOEAWGVNRRA-UHFFFAOYSA-N 447.582 0.599 30 20 ICED Cn1c(S)nnc1[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 730102151 JPRLANVVFMYDKE-LBPRGKRZSA-N 434.547 0.939 30 20 ICED CCN1CCN(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162960 ZSFLEEBDBFXFKS-SFHVURJKSA-N 435.594 0.894 30 20 ICED C#CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3c2c(O)nc(=O)n3C)CC1 733975833 QEGJBMABUJCMGX-UHFFFAOYSA-N 447.451 0.821 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734563050 UTTPRKZGFVAUBR-GOSISDBHSA-N 445.453 0.783 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356309 BEFCZTWIYASVON-UHFFFAOYSA-N 446.554 0.513 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)n2)cc1 754516751 YJRKMBBEUZGLRQ-RBUKOAKNSA-N 434.456 0.737 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758069490 QFLQWCAMGXZVIV-UHFFFAOYSA-N 439.493 0.556 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758589493 UKVLNLMNKNXJTN-CQSZACIVSA-N 439.541 0.509 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C(C3CC3)C3CC3)c2=O)cn1 772312865 JUMSGLIRKBKXEJ-UHFFFAOYSA-N 439.541 0.834 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@@H]1CCCO1 773794201 XJIATCSFEOPRQM-MSOLQXFVSA-N 425.489 0.376 30 20 ICED CCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 774768293 ZYJSNVLTOREJKH-UHFFFAOYSA-N 442.538 0.688 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 775913905 PVWDVHWDXHBSRG-ZMZPIMSZSA-N 427.479 0.951 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 778746255 NNQBUXPZFBMREP-OAHLLOKOSA-N 436.428 0.044 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CC(n4cc(C(=O)OC)nn4)C3)ccc2c1=O 779548272 DQFVVKQDWONLQH-UHFFFAOYSA-N 426.458 0.946 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 787665883 BDBDSONJZFEONF-QGZVFWFLSA-N 448.545 0.941 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 787907549 DFJFNTQNBXYQFT-OQKWZONESA-N 449.533 0.519 30 20 ICED C#CCn1ccc(CN(CC)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 788826424 GVKUULQOZSGBEX-UHFFFAOYSA-N 432.282 0.771 30 20 ICED CCOC(=O)CON=C(C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1cc[nH]n1 789954433 KBDUXMVAJYEEBN-CQSZACIVSA-N 432.433 0.787 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cn1 801289055 XUNYIWZABVQJOU-UHFFFAOYSA-N 431.474 0.530 30 20 ICED C#CCN=c1nc(N2CCC(CNC(C)=O)CC2)[nH]c(N2CCC(CNC(C)=O)CC2)n1 804372588 SBJYBWPGRRFTPE-UHFFFAOYSA-N 442.568 0.044 30 20 ICED C#CCN=c1nc(N2C[C@H](C)O[C@@]3(CCOC3)C2)[nH]c(N2C[C@H](C)O[C@]3(CCOC3)C2)n1 804682214 LUDPRSDFDQAWMO-KLDKWKSESA-N 444.536 0.107 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccc(OC)nc1 814250702 WYKGQORBUUDAOR-UHFFFAOYSA-N 446.439 0.013 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@@H](C)N1C 815862326 XXDPCGPZTPMHAN-WCGUBKJWSA-N 435.550 0.989 30 20 ICED C#CCN1CCC(C(=O)NC[C@@H]2CSCCN2C(=O)C2CCN(CC#C)CC2)CC1 815916975 QVBJLNBKKCSYIW-OAQYLSRUSA-N 430.618 0.737 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1 894118160 OGDJFDQMOHOPRW-UHFFFAOYSA-N 427.442 0.549 30 20 ICED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 915386753 QSEGWJSLPLQBSO-UHFFFAOYSA-N 433.458 0.598 30 20 ICED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918285286 DYAOFGCFLCQRSW-FXBPSFAMSA-N 435.506 0.129 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 920656362 ZBQCKVLOBSKLGG-AWEZNQCLSA-N 426.267 0.845 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 1323547045 MHTRZKUULUUJAW-IEBWSBKVSA-N 425.489 0.944 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1360241057 ZLEQRVSQJHLLLA-XHDOVSQSSA-N 433.582 0.894 30 20 ICED COc1cc(C)c(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1475510586 XBHHHTKXIIRRMZ-UHFFFAOYSA-N 443.279 0.879 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1504531623 JNZOIJYQJBFGES-GOSISDBHSA-N 426.477 0.527 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514261213 IVSRQUYULQCKSY-MDYRTPRTSA-N 436.582 0.908 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)CCO1 1521137563 PNFXJRUWOUGSRY-QGZVFWFLSA-N 426.456 0.911 30 20 ICED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1541288367 YWDIXJCOEHLRHT-MRXNPFEDSA-N 425.493 0.813 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)CC2=O)cc1Cl 1544135236 ZGJWGJIOBSEZKN-TZMCWYRMSA-N 439.925 0.596 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1545145980 NHBGLXMZFUXXLT-QRWLVFNGSA-N 446.533 0.438 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)c(=O)nc1O 1630030510 LDZYHRJPUWSPKU-AWEZNQCLSA-N 433.877 0.805 30 20 ICED COc1ccc(C[C@@H](CO)CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1Br 1639924281 MDMLKHFEEOGGCK-GFCCVEGCSA-N 437.294 0.990 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1741987981 IGNXSVHKQXVOHG-LBPRGKRZSA-N 448.471 0.989 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760696937 VLAOKFIUPMYXSR-SJORKVTESA-N 439.586 0.693 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1779019632 BSUCBQRBDCVHGX-QMHHEMSOSA-N 428.537 0.816 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1780597927 ZYCQWXUJGIRZFV-OAQYLSRUSA-N 446.529 0.427 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781788027 YCTQAQHLEXFSSK-SFGWALBWSA-N 433.549 0.724 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1782209604 UPVSOYHWDNRMPH-MAODMQOUSA-N 432.477 0.630 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)CCSC)C1 1782226115 XSSCIZALFQADJI-MNRBKGIESA-N 439.578 0.473 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)c1 1782750031 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N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545521 ZCVNDPCKBLKUBB-SFHVURJKSA-N 433.515 0.190 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1785576330 CGXYZQCLFDYLKG-AOMKIAJQSA-N 443.504 0.837 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)(C)O 1785609729 GAWIKJYOIFJDEZ-JPYJTQIMSA-N 449.548 0.894 30 20 ICED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785863825 CTVWXUIFNDEHJV-ROXRBECASA-N 449.508 0.551 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787495810 RFFSSCZXCFGHMP-YGJAXBLXSA-N 440.591 0.688 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638174 VGHJCBHUWZYPTB-XSLAGTTESA-N 442.534 0.380 30 20 ICED COc1cccc2[nH]cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)c12 1790429655 XLPITRCXDXBAMQ-YEWWUXTCSA-N 425.441 0.858 30 20 ICED 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 1793087410 CWNDODOAYFPASC-RMEBNNNOSA-N 431.555 0.170 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1793340135 MAROMABSEDNZGK-AVEIZBFRSA-N 435.521 0.624 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc2ccccn2n1 1796101334 PMARMALKXHJWLF-QTTPAESDSA-N 442.476 0.462 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2nncn2c1 1797463409 SOJGCNCRTRZPQO-NHIUHZMNSA-N 442.476 0.462 30 20 ICED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797808533 JBCGVZCRKDADBH-IPTGWEGLSA-N 433.465 0.217 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798519195 NORFVEDQFXGAAL-QVABKHQFSA-N 433.461 0.832 30 20 ICED C#CCCCC(=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 1799196131 GVIZGZOOOICEHY-IHEQNBGGSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](CC)NC(C)=O)[C@@H]1c1cccnc1 1802538323 KPTFPBQODCFTLN-NEZZHTIASA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]1c1cccnc1 1808426262 WWSJMRMHUHRZAV-ZOQIIVPTSA-N 441.532 0.813 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810348501 LYOLYWHLSXFBLS-KJXAQDMKSA-N 446.548 0.721 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810360693 UOTDZEQFXAQUIF-UNWVZKJWSA-N 428.533 0.932 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](C)S)[C@@H]2c2cccnc2)c(=O)nc1O 1813043933 VELFEMSIBRZCOE-LXZKKBNFSA-N 431.518 0.677 30 20 ICED CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817054443 FQDCSWZBOWGUEC-WLNRYVJDSA-N 441.510 0.975 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1817316316 BJNXYQLERYWGRP-KBPBESRZSA-N 444.496 0.282 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821604241 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1835901454 LUUHQDHUDDROLY-OFNKIYASSA-N 428.533 0.945 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1836846233 NNPDRBFGIALWRC-GOSISDBHSA-N 444.594 0.993 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCC5)CCO3)C2)CCC1 1836979780 ACUZQORSQQWMBL-JOCHJYFZSA-N 427.505 0.983 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1837397682 RXTDZTKCBYWQEA-VLIAUNLRSA-N 438.550 0.677 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837531453 NAGWERMBQSUTKK-XLKFECATSA-N 435.481 0.317 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)c1 1838685862 IUXXMRVYMFPHLZ-UHFFFAOYSA-N 431.468 0.978 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839694847 VLOKOYJOZGGJRD-HCWSBUSNSA-N 433.530 0.176 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c1 1839879950 ZZEZGZBQWJWEFE-NYHFZMIOSA-N 444.488 0.161 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1)C(F)(F)F 1839892093 SYFJLLSIHXMPGI-QGZVFWFLSA-N 444.366 0.363 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839959333 HLKUVEQMZXCTQF-SKPFHBQLSA-N 446.544 0.620 30 20 ICED Cc1cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2[nH]1 1840042963 YRYLDDDWNNFMFR-JOCHJYFZSA-N 425.441 0.634 30 20 ICED COc1cc(F)cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840085988 VBTIGXNYLBHIEW-ZZTDINLMSA-N 446.431 0.392 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840160237 CHTLRIIXSUVVQS-ZUOKHONESA-N 434.518 0.444 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2c1CCC2 1840813954 HDBRSAKGDYJKLO-QFIPXVFZSA-N 427.505 0.673 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)CCO2 1840908980 UDJVXTMPWJGMSC-MBSDFSHPSA-N 447.532 0.773 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1I)C2 1841601063 BLAOCCKPEOXVTR-LLVKDONJSA-N 442.257 0.870 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1841604138 AJQFKUAYHAZUTO-SFHVURJKSA-N 448.564 0.781 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1845440470 ONJNYNASZIZAHB-SFHVURJKSA-N 444.488 0.984 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 31295506 ATYBXQXFZQLXKI-UHFFFAOYSA-N 431.562 0.608 30 20 ICED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 428417291 CJFNUQJZBCIIGI-UHFFFAOYSA-N 425.330 0.431 30 20 ICED C=CCN1CCC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 429974601 LUIHFMVCQBLQRF-IBGZPJMESA-N 436.578 0.982 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 431701682 HCRQFVVJECVGAO-UHFFFAOYSA-N 433.490 0.982 30 20 ICED C[C@H]1CN(c2nc(N3CCS(=O)(=O)C[C@H](C)C3)ccc2C#N)CCS(=O)(=O)C1 436379678 RIOKCABGTPUUQS-CABCVRRESA-N 426.564 0.695 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)cc1 441602787 NCXRUSCTUULWSX-UHFFFAOYSA-N 432.433 0.834 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441920312 CWCFMNGSYYATDU-INIZCTEOSA-N 442.541 0.387 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCOC1 441929745 ISPGSEYDCDEHPY-HNNXBMFYSA-N 443.525 0.221 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCSC 443553277 YGIHPFCZVJIWAW-UHFFFAOYSA-N 430.511 0.986 30 20 ICED O=C(C(=O)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCOCC1 448064679 PIRMOONHAXIGQX-UHFFFAOYSA-N 425.407 0.940 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 460603073 RDXGYSNTWFYKCB-MRXNPFEDSA-N 449.446 0.985 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1cccs1 474337909 QCDBMUFMQMZUTE-UHFFFAOYSA-N 440.550 0.989 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 479835100 FJNWOSJDWANZRM-HNNXBMFYSA-N 434.518 0.322 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 492278545 WGVDQJFAZKCORZ-UHFFFAOYSA-N 436.450 0.353 30 20 ICED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1cccc(Br)c1 496223157 BCQWKYBKSZURDC-LLVKDONJSA-N 441.263 0.800 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1C#N 504186848 SJAPLSJTYBTPFS-UHFFFAOYSA-N 435.416 0.020 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 505546320 DVOULCNGWOEPHQ-SLZXQDOKSA-N 443.456 0.944 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(CC)o2)c(=O)n1C1CC1 509386428 KPTVRHYJRKNTDX-UHFFFAOYSA-N 427.482 0.992 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2[C@@H]2CCCO2)CC1 511645795 IFOXWRRMSCLJOO-MOPGFXCFSA-N 448.545 0.271 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 512469923 UTYPPQHFSKWKKQ-FQEVSTJZSA-N 435.594 0.898 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2=O)cn1 513128076 DGGGVWMMEDQTAG-OAHLLOKOSA-N 436.407 0.477 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537251 AJBKAYQUWXNNJN-ZDUSSCGKSA-N 435.509 0.850 30 20 ICED CNCCCc1[nH]nc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1C#N 535502515 VAOHFAYEJMFFKY-UHFFFAOYSA-N 432.506 0.943 30 20 ICED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 549320185 MUBQRVCDCQOCFW-UHFFFAOYSA-N 426.452 0.926 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CCSC)c2nnc3ccccn23)C1=O 550230329 ASIUWPSZBHVNCD-CABCVRRESA-N 430.534 0.885 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)n1 557690631 CFJBIBXSPNATAM-UHFFFAOYSA-N 426.521 0.363 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 564476602 WWSQEBPHFUIUMM-OAHLLOKOSA-N 438.492 0.136 30 20 ICED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCn2cnc(C#N)n2)c(C)c1 588021268 QMHYKCDBRRABEY-CVEARBPZSA-N 432.506 0.015 30 20 ICED CN(CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603881015 UTOCFEZCSAHWNA-UHFFFAOYSA-N 442.501 0.021 30 20 ICED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 726574949 ABTJVUSEZSNYRI-UHFFFAOYSA-N 429.461 0.983 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccnn3C)c2=O)c1 726580924 HTIQHRHNXAFIKO-HNNXBMFYSA-N 447.520 0.268 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 726793922 UDTHUDUFVARRAS-UHFFFAOYSA-N 425.532 0.377 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 728589586 IMYUKKZIIQFCED-UHFFFAOYSA-N 445.295 0.413 30 20 ICED COCCN(CC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729405719 LUFDVULGSPTFAL-UHFFFAOYSA-N 425.507 0.932 30 20 ICED COc1cccc([C@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1OC 729428829 YHGVOOPESUDPRP-DOMZBBRYSA-N 434.474 0.550 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 733150128 BVYUCNPJOFCLQN-UHFFFAOYSA-N 434.562 0.256 30 20 ICED N#C[C@@H]1C(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)=CC(=O)n2c1nc1ccccc12 734838053 MBVMQPDAUTXQPR-AYBZRNKSSA-N 441.513 0.311 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 737305455 JWVLXBAPQDCCIK-UHFFFAOYSA-N 446.485 0.457 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 745354300 SRDWZPALYQUXKO-RVZJWNSFSA-N 427.527 0.690 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 749641447 ZXTUURWLWFCNIE-UHFFFAOYSA-N 438.481 0.003 30 20 ICED CS(=O)(=O)CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 753248020 BHRNGDFRVGYXGB-UHFFFAOYSA-N 447.517 0.964 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CC(C)C 753359388 QPDOQFLLTRDDQW-UHFFFAOYSA-N 446.529 0.336 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 761022732 CYPXKBLCTTYVBN-HZPDHXFCSA-N 438.550 0.355 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 761028768 JJABZSMIMZRUCQ-UHFFFAOYSA-N 429.428 0.266 30 20 ICED COC(C)(C)CCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 764321788 NZUBHMAIRATOKS-LBPRGKRZSA-N 431.536 0.765 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 767676950 QKOYXBIFJRDLSV-PBHICJAKSA-N 443.481 0.888 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCSC)c2=O)cn1 772311634 OUUHVWKEACHHLQ-UHFFFAOYSA-N 447.611 0.648 30 20 ICED NC(=O)c1cc(OC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)ccn1 772857505 YOPBVFNJNXRMTB-UHFFFAOYSA-N 443.485 0.289 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCCC#N 776122287 OOKDLUIHJIODDS-CQSZACIVSA-N 426.520 0.890 30 20 ICED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785211257 VVPPVWLPCIMOJM-UAHGDZPKSA-N 437.522 0.278 30 20 ICED C=CCN1CC[C@H](OC(=O)/C=C(/Br)C(=O)O[C@@H]2CCN(CC=C)C2=O)C1=O 798651318 AZCYVWYPOXETAE-CYUAOAIUSA-N 441.278 0.925 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)N1CCCC1 799271400 PPHCOTHGGLKWOT-WYOZQYPVSA-N 449.533 0.565 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cn1 801288833 MNFIHZXRAOBWGS-HXUWFJFHSA-N 426.521 0.315 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccc(OC)nc1 812276113 IFUYBPJCRRDNAB-UHFFFAOYSA-N 446.439 0.223 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(COC)cc(C(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 815590980 RGFBMEWAIOPPGL-KRWDZBQOSA-N 436.486 0.597 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838664946 LCWPLVVNALMXFY-UHFFFAOYSA-N 427.461 0.037 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C3CCOCC3)CC2)cc1 1115912282 PGJAFDHMHDKTSC-UHFFFAOYSA-N 441.531 0.584 30 20 ICED CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497293047 JKTVOLHGCMRTBN-NVXWUHKLSA-N 441.540 0.894 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1503823232 UQNBDMGJNUFFTP-UHFFFAOYSA-N 425.493 0.820 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1noc2c1CCCC2 1510222194 PYCUNQCFOPLDMD-QWHCGFSZSA-N 435.510 0.532 30 20 ICED CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1518649492 RRQXSWDDXFTRBV-WMZOPIPTSA-N 426.477 0.716 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1628072648 WRURMABGUCFEQE-DOMZBBRYSA-N 425.532 0.539 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc(C#N)cc3=O)cc2)C[C@@H](C)O1 1644037172 JJHVZFHCETXSAP-OKILXGFUSA-N 431.474 0.552 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1672001265 KYCOJZKHEOCQKT-UHFFFAOYSA-N 443.533 0.671 30 20 ICED COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749779460 ZSNQCBFGERSZDB-GOSISDBHSA-N 430.557 0.155 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1765292364 RXKLXYIDIMJZCZ-FQEVSTJZSA-N 449.533 0.751 30 20 ICED COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769197708 GWHFXULZTOMIOT-YCPHGPKFSA-N 425.559 0.347 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1769841762 OBKCWEUZZQHZOO-HXUWFJFHSA-N 449.533 0.866 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1770325628 PGOUFHLFTGCQMS-YLJYHZDGSA-N 447.517 0.503 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2c1 1777998095 CHDWENFOWLYRSG-QHCPKHFHSA-N 446.467 0.960 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1779237121 QMZUZSUAMKOOKH-QFIPXVFZSA-N 438.488 0.630 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2C[C@H]3C[C@H]3C2)C1 1779245927 TYLXBOASDUVRMX-KYFICHGSSA-N 444.576 0.699 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1779273163 NJDWARLMNJHSJU-MBWDCMDQSA-N 429.521 0.711 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(=O)nc4cccnn34)C2)CC1 1780038714 JKLBHRPQRPLECP-OPAMFIHVSA-N 436.472 0.521 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1ccnn1 1781548065 PMIRUVWRCKCHSH-NFYDZCJNSA-N 448.524 0.882 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cc1O 1782191959 CFUGMYKKHQSMDF-OAQYLSRUSA-N 435.444 0.631 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)n1cnnn1 1782602330 AHKYZWFOKLGROK-DBXWQHBBSA-N 444.536 0.447 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 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N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1786367356 IQQOTEHFYYDVDF-XSDIEEQYSA-N 426.517 0.781 30 20 ICED C#CC(=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 1788095683 UMWATPHCGKZDEQ-AVEIZBFRSA-N 435.521 0.217 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788575484 YNIJFOJMGSWOHU-XSLAGTTESA-N 427.505 0.896 30 20 ICED Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788657017 WNKFESXCJYYQLS-AWOFACELSA-N 431.493 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1789892133 DMGAOHBBAOHQAX-JYJNAYRXSA-N 442.476 0.227 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5cncn5)C[C@@H]43)c2c1 1790328217 VMFQVWMMUHCRIV-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]31)C2 1790686110 IJYQRPLYUAKYFW-CVYDXHPNSA-N 443.504 0.516 30 20 ICED C=CC[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 1791047073 HKTYKSAKVNBTGO-WOYTXXSLSA-N 425.526 0.816 30 20 ICED N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792834363 GVDLXZNAXZJFLO-CWPLJXCYSA-N 429.908 0.121 30 20 ICED 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)N(C2CCCC2)C1 1793777465 TWQBYHLAIILBFN-JHLLAZCVSA-N 447.576 0.940 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c(Cl)c1 1795580335 NRQQQVBOCUQWEJ-ZSBFGKGUSA-N 430.896 0.255 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)SCC(=O)N2 1796289952 AAICBVQZUQOMGT-BCEDRHLLSA-N 443.525 0.972 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1797246022 USRLURCGDPXEIQ-WOZUAGRISA-N 438.528 0.781 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Cn2cncn2)C3)c1 1798578376 HDRNOVJVSCCRDY-DEYWJSPQSA-N 438.488 0.698 30 20 ICED 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CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1831498835 RBNDGVGEKRPDBU-QXAKKESOSA-N 432.539 0.013 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831498839 RBNDGVGEKRPDBU-WDSOQIARSA-N 432.539 0.013 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CC)CCO2 1833511164 VFJIWTSJULEPCV-YLNCNTMDSA-N 442.516 0.572 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833647162 AAMOWGHSFRCSMT-CVDCTZTESA-N 446.548 0.791 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CN3CCCCC3)CC2)CC1 1834610577 IKJYEELZGAQNEL-SREVYHEPSA-N 445.608 0.902 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706356 XLWOFYMVQUZRKJ-MRXNPFEDSA-N 435.573 0.199 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)CCO2 1835185543 LICKNNXIGNOAHR-NRFANRHFSA-N 436.530 0.801 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2c1 1835346596 JDEOLOCRFTYYEC-QFIPXVFZSA-N 434.456 0.808 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1837395413 ZMJOKJIITHADHX-JPYJTQIMSA-N 430.501 0.899 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837403914 WCRAUBINGIEPFA-CVDCTZTESA-N 442.516 0.977 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837802843 IKQJCTLVRDXADJ-OAQYLSRUSA-N 432.525 0.378 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742921 RKUJHKCAMFYMFX-UTKZUKDTSA-N 431.493 0.261 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227410 PZCSWHBWXXSGCV-LLGFUMIMSA-N 440.541 0.549 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419734 SAHHJUIKEKUOPY-QRQCRPRQSA-N 446.479 0.682 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)n1 1839423021 GENOTICZLLIJHT-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839806128 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C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847802159 NDWLBQUHWHNTSX-HVMFNXBNSA-N 449.548 0.844 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1 110838055 DJNZTRPZBZGFEC-UHFFFAOYSA-N 428.470 0.456 30 20 ICED COC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)nn1 433875924 WVMVGJRNFZASRZ-UHFFFAOYSA-N 426.252 0.944 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 433890246 INHYCNXEMAUWDS-NSHDSACASA-N 447.448 0.687 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 434337429 BRAKYVBGUGPRIE-OAHLLOKOSA-N 441.517 0.940 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 438305913 OOLVBHVGWBQKIB-UHFFFAOYSA-N 433.450 1.243 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCOC1 441939326 ZWCQKVRAYYKJSQ-CQSZACIVSA-N 433.555 0.582 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 461606219 FTZFNFAYDSZTIJ-LLVKDONJSA-N 429.458 0.760 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 478868931 BFYIHYZGFVVIDF-UHFFFAOYSA-N 445.566 0.159 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)c(F)cc3F)c(=O)n2C)CC1 487397876 JIBXDJORRIXTMG-UHFFFAOYSA-N 436.459 0.531 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488253394 VMJRPKJAXRVLIP-ROUUACIJSA-N 433.534 0.772 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 488981343 MTSMKGNWNBXFLA-HNNXBMFYSA-N 435.509 0.928 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCC(=O)NCc3ccccc3)n2)cc1 492765754 DRJIGISLUDVMJM-UHFFFAOYSA-N 431.456 0.959 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 500015032 ODXKJIKLVOPOQN-QGZVFWFLSA-N 438.525 0.377 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1Cc1ccccc1 511805387 FWRHADPXJVKULP-LEWJYISDSA-N 425.533 0.404 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 512481286 UDVIZAFXMDLXSS-IBGZPJMESA-N 434.566 0.080 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 525910207 IGWMTHLGWSFKIN-OAHLLOKOSA-N 437.416 0.889 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC(CO)CC1 536349388 PVKWSZGBBHUBEJ-UHFFFAOYSA-N 434.562 0.874 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(=O)(=O)NC)o3)n2)nnc1N1CCOCC1 547059456 JQBABWWQUYNEJY-UHFFFAOYSA-N 435.466 0.443 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3cc(F)cc4c3OCOC4)CC2)n1 551474246 LVVRWTYVILNLKG-UHFFFAOYSA-N 439.447 0.966 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](c3ccccc3)c3nccn3C)CC2)c1C#N 559529248 WUPUQNZQEWACFW-IBGZPJMESA-N 446.515 0.888 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nn1 561739537 CHZDQFKZUFWXNL-BRWVUGGUSA-N 428.474 0.890 30 20 ICED Cc1ccc(-n2nc(CCCNS(=O)(=O)CCCS(C)(=O)=O)c(C#N)c2N)cc1 564469928 YRFDNOIIRUZTCN-UHFFFAOYSA-N 439.563 0.921 30 20 ICED CCCNC(=O)c1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 566633986 JRZURPKZPWNCPB-UHFFFAOYSA-N 425.493 0.711 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 568429137 CZMHUHARRWIWKA-ICSRJNTNSA-N 442.564 0.855 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)c1C#N 569862354 GLNVEWTUBASXIN-AWEZNQCLSA-N 429.506 0.844 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1Cl 579189706 NZTGPDVHPYVFKI-ZDUSSCGKSA-N 431.901 0.466 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccncc3OCC(F)F)CC2)c1C#N 581396924 AASPFHNWTGTDDO-UHFFFAOYSA-N 447.446 0.604 30 20 ICED CN1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 587659298 KNIAZBMSWLDOFI-FQEVSTJZSA-N 439.564 0.277 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1Cl 610245151 ZLABCBXWMMYQOV-UHFFFAOYSA-N 446.916 0.183 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 610425289 ZAFAWGQIKIONFW-GOSISDBHSA-N 436.534 0.834 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 610805095 QNHZPENWRWNKTI-KBXCAEBGSA-N 433.534 0.166 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)c1C#N 615955876 WKWNXEWEFZRJAZ-UHFFFAOYSA-N 448.505 0.177 30 20 ICED CN(CC(=O)NCc1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 671998315 HQVMAEVFAMHYJY-UHFFFAOYSA-N 435.458 0.514 30 20 ICED CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 725714150 ZLGYADWRISXMKX-UHFFFAOYSA-N 449.270 0.908 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(C4CCOCC4)c3=S)CC2)cc1 729981808 MKXGXPKKGUHUAR-UHFFFAOYSA-N 449.562 0.996 30 20 ICED COc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910897 WDTLUOSSQFVVKA-NVXWUHKLSA-N 433.486 0.010 30 20 ICED C[C@@H](CC(=O)Nc1nnc(NS(C)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 742569594 JPPFTCHLXQTDEC-QMMMGPOBSA-N 444.520 0.365 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 747881920 UDOXKCJGZUHWDJ-GOSISDBHSA-N 433.530 0.746 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755627080 HVLLXXSEFAXJOF-OAHLLOKOSA-N 448.570 0.892 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 758059848 VJXZOFAKNFUIPR-LBPRGKRZSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2ccnn2CC)c1=O 758066735 CAFVMWILMDKWIX-UHFFFAOYSA-N 433.493 0.910 30 20 ICED C#CC[C@@]1(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 764479461 MHOYFOPAETZERU-QRWLVFNGSA-N 441.550 0.541 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1C1CC1 769637276 RQXFZLSCRQAYGK-UHFFFAOYSA-N 443.573 0.931 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1cccc(F)c1 776492178 MEZXFJZAHBMCFD-ISLYRVAYSA-N 426.408 0.901 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)n1CCOC 777941330 PKYKGUVMXZUEAC-UHFFFAOYSA-N 443.525 0.761 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 780055066 JLARATGSSLUYMB-GJZGRUSLSA-N 438.506 0.521 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)nc12 782940585 IJBRWPDMIHBTGA-NVXWUHKLSA-N 439.403 0.693 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 783348311 XMKYWZSOZNBZSQ-UHFFFAOYSA-N 429.520 0.127 30 20 ICED COC[C@H](C#N)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 785074579 GGKHCEKMRULLNA-AWEZNQCLSA-N 436.490 0.609 30 20 ICED C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)n1 789000727 BRJALSXPZBCKSN-UHFFFAOYSA-N 433.534 0.861 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc(C(N)=O)nn1 805942546 NUJSJDHBTKRGED-ZDUSSCGKSA-N 434.478 0.074 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@H]1CCCO1 809313573 TXABGKGKLCSWEZ-VQTJNVASSA-N 427.501 0.596 30 20 ICED Cn1cc(S(=O)(=O)NN=CC2(CNC(=O)OC(C)(C)C)CCC2)c(=O)n(C)c1=O 814883091 ADEXHQGVESLGIY-UHFFFAOYSA-N 429.499 0.043 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@@H](F)C(=O)OCC)C2)cc1 815805903 ADLWHDWIYBZMKL-MRXNPFEDSA-N 441.481 0.791 30 20 ICED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914832513 LVIYKRRKBQKEFC-LJQANCHMSA-N 441.513 0.096 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)o1 915371120 OWMIJYPSQNGWGV-HNNXBMFYSA-N 441.444 0.688 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 916675934 JMHDWGYDFVWWQX-INIZCTEOSA-N 427.548 0.532 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918409196 IHYGSJDCSFNTEM-RELWKKBWSA-N 435.550 0.991 30 20 ICED COCc1ccccc1CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 918817229 LVFHJKZNIDXFPW-UHFFFAOYSA-N 431.470 0.843 30 20 ICED COc1ccc(Br)cc1C[C@H](CO)CNc1c(C#N)c(=O)n(C)c(=O)n1C 1163299295 QOHFALVYCKIVHM-NSHDSACASA-N 437.294 0.990 30 20 ICED CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)no1 1306012422 RYDHUABELIHISA-HNNXBMFYSA-N 427.513 0.781 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1541804399 VODJAINVIAGUMX-PBHICJAKSA-N 425.493 0.784 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cnccc2C#N)CC1 1556823428 WRAHFFNLKXVHSL-GUYCJALGSA-N 435.531 0.391 30 20 ICED N#Cc1cn(CCNC(=O)NCc2ccc(OCCN3CCCC3)cc2)c(=O)nc1O 1678708669 QWQBVVGQFQKFDV-UHFFFAOYSA-N 426.477 0.795 30 20 ICED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1711620481 TYGPVJVENPIICL-WBAXXEDZSA-N 426.543 0.824 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1724011098 WFPUYLANHOOQAJ-MRXNPFEDSA-N 449.581 0.812 30 20 ICED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1749839052 IPRGAFOCLGBVLF-UHFFFAOYSA-N 425.493 0.876 30 20 ICED Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c(=O)n1C 1761779159 SYGRIUOBHNOPMU-SFHVURJKSA-N 438.536 0.648 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931940 PSFXTRCXSGDLJP-NRFANRHFSA-N 425.493 0.455 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c2ccccc21 1778165346 VHLDFAKHKHWBQE-HSZRJFAPSA-N 448.483 0.683 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1778970725 FAVHDKUMHRYGLT-KSFYIVLOSA-N 432.521 0.942 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779101183 IDEIBIQNTSHAQY-NZLUSWSZSA-N 449.508 0.502 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779106840 MHLUFNLIMYGCIH-NGPKUFNOSA-N 431.493 0.802 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1779140924 KHDAGQLXPDEXBA-MDZRGWNJSA-N 427.592 0.898 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1)C2 1779202989 HTOJLUUOSSFIES-SFGWALBWSA-N 444.488 0.750 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc[n+]([O-])cc1 1779943835 JWHGQCLEFUPEKN-WSJUSMGMSA-N 446.504 0.977 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1780057513 SSVAAVLLIDXCGX-GRZUVJQWSA-N 443.548 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1780741387 XJDGQKXTLIAJJA-VGOFRKELSA-N 446.504 0.267 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1780806641 BZDIYLPEFIUQFT-TVKQPGBESA-N 443.566 0.878 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921878 CEVOPVXAUSWEQF-OAQYLSRUSA-N 446.529 0.247 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1781396276 QAPFOYOIUASOPU-STXHMFSFSA-N 442.513 0.460 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1781696317 RTLULFKVYKNYGM-ZDPZECHZSA-N 437.537 0.798 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784019242 DUUJZYJWZHOBHO-YDIMBITNSA-N 439.512 0.855 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1786858147 FWMAELAHLBFTRF-BQFCYCMXSA-N 439.520 0.604 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c1 1786892397 YTJLMZFVWIJYDY-SSRYDLFMSA-N 441.532 0.500 30 20 ICED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145242 DJKJDFAJFIQOAR-ZJOUEHCJSA-N 442.516 0.785 30 20 ICED C#CCCC(=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 1792450814 AYQOPLYLRVZAAP-IHEQNBGGSA-N 449.548 0.607 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1792494672 HEAQCCHZKFKLPW-CEQLMSFQSA-N 434.581 0.733 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(OCC(F)(F)F)n1 1794337270 UZSUVNAHWVTQNX-DPIQGUFMSA-N 441.362 0.314 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)cc1C#N 1795854807 FXBZCMBVNDUTTJ-RMFSNUHRSA-N 438.488 0.840 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1796443704 YVYWGQYFTVBYAD-HAJXBOJGSA-N 428.470 0.886 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797788524 LNABHRNDHWTBHS-UJMXGEILSA-N 436.505 0.839 30 20 ICED CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810925 BZGAPVSWFBSSFN-UEIBBUKUSA-N 433.509 0.944 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn(C)c2=O)C3)c1 1798573690 DFAUTUOIROAHSW-XEMDLRDOSA-N 436.468 0.783 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n3ccnc3n1)C2 1799306319 SXUDSHRTVZBVDH-HGKCTWBKSA-N 441.488 0.750 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCc3cnc[nH]3)C4)c2c1 1799883675 ZRUCLICACCMOFL-YVWYUNDQSA-N 433.472 0.994 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@](C)(O)CC(=O)O)c1 1801006361 RZOXDCKRBCHVDX-FLUSEDSTSA-N 445.472 0.386 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)c1ccc(O)cc1 1801053409 DWULMEMOFJRWAJ-RZUKHUMYSA-N 439.512 0.757 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2)c1ccc(O)cc1 1801056125 YJWJEQRQBZDZCI-UZTVYRAPSA-N 441.528 0.990 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)c1 1801300735 KIXVMFQQXQHDRU-ALXJQNPVSA-N 426.502 0.980 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979562 VZQCVXSFUHBLMB-QKPAOTATSA-N 436.509 0.155 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1802040379 JIKTWFVVMSGERA-QRICJDHISA-N 441.503 0.876 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802078790 HRJAFODFUAQJPL-LDZFOUDASA-N 432.473 0.997 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808835905 CEDJOPORAKVBJR-ALKREAHSSA-N 444.492 0.440 30 20 ICED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C3)CC2)CC1 1810260930 VXPWMILGGGIEHD-UHFFFAOYSA-N 431.518 0.987 30 20 ICED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)cc1 1810488365 VKJSVDFNNIQQHK-UHFFFAOYSA-N 446.471 0.843 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324021 RLLQMVOCXNDMCA-MNOVXSKESA-N 443.489 0.691 30 20 ICED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(N)=O)CC3)ccc1F 1822969026 GFRAMXHNRQRRFV-GFCCVEGCSA-N 430.465 0.977 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826216351 NUAWQWQDINXUTP-CHWSQXEVSA-N 432.550 0.863 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1 1829984633 JYYVCWMTFCFTGM-IBGZPJMESA-N 428.480 0.770 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830064752 PERHSNFYKCVAOM-DRSNIGMVSA-N 435.521 0.972 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830626719 UYBXAGMNEYGARE-XXBNENTESA-N 436.549 0.548 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c21 1831216466 REULPDCVHUFXRN-QHCPKHFHSA-N 438.484 0.762 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1831388316 WYULZVWVTGCGGP-IIBYNOLFSA-N 435.908 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1831399206 REPSHAWGUYCZAK-OPAMFIHVSA-N 427.457 0.936 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831424160 DOCKUZVBRPGSLO-XZOYJPPVSA-N 443.544 0.748 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831431212 BHWIAJXOAFSRPD-JTSKRJEESA-N 443.504 0.319 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831435127 LZEWPYIJJVSBRZ-VFNWGFHPSA-N 449.460 0.962 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCCCO3)CC2)CC1 1833108064 FMRVIUYNZTYETK-PXDRNWIDSA-N 432.565 0.986 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1833491186 HBZGMNMUVASOFO-OAQYLSRUSA-N 439.670 0.760 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1835096816 LZDKOFAEOGRUGL-QHCPKHFHSA-N 437.452 0.207 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969693 SAPSXGBRCLJREA-DNVCBOLYSA-N 426.901 0.584 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1)C(F)(F)F 1837253584 MTKSYOBSMYZGMP-PYTPGESOSA-N 431.411 0.396 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443329 FIEHJEGQDHGQSG-ATASCALFSA-N 436.538 0.388 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2)C(=O)O 1837533208 LEVFUOWJODIXSQ-WCDGTKDBSA-N 439.465 0.003 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1837664347 MISZAYFTMKPLHL-PGRDOPGGSA-N 439.553 0.586 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837919677 IZPHQMRFDQIVFT-HZQHCPKGSA-N 449.895 0.058 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)cc1 1838950846 JCNMBLSTNONRHI-NRFANRHFSA-N 439.428 0.143 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951230 FSCWEJLAJMKGIN-SBUREZEXSA-N 442.516 0.933 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839080588 BNAKIJBSTOPWLK-JLHGSKIFSA-N 432.521 0.394 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839569258 VHHNZPWRTRHSEX-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1)C(F)(F)F 1839655166 IPPVYDOEXRSPLU-INIZCTEOSA-N 438.472 0.045 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704845 HYPINWUPDDMAPE-JTSKRJEESA-N 438.488 0.410 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986573 SYDLMSRLAFMBGP-IERDGZPVSA-N 441.525 0.559 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840042125 CAAOCSGXTBLXJK-GBXCKJPGSA-N 438.480 0.728 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840157109 FXGLHPCJVWQHHA-LIRRHRJNSA-N 442.559 0.478 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840318863 FIJKPHYCCVUHQL-OAQYLSRUSA-N 449.891 0.504 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817913 ALYNBLOTOZZYKR-REWPJTCUSA-N 445.516 0.800 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818378 YSUPMOZBFJMFPC-QFIPXVFZSA-N 431.489 0.818 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840840422 RFROAXCPJCDBNC-ZJSXRUAMSA-N 425.529 0.913 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841298482 PDPJLBJEMZCNGS-LSDHHAIUSA-N 425.526 0.649 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841604327 MLSTUDBTRCJYPO-IAGOWNOFSA-N 435.521 0.864 30 20 ICED C#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 11625569 WOFVKSVZBDYRGM-UHFFFAOYSA-N 449.529 0.209 30 20 ICED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 104895316 QPEHGVIXBOOTOX-UHFFFAOYSA-N 448.483 0.940 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1 108179596 QGJBVRANEWAAQY-UHFFFAOYSA-N 427.482 0.902 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCS(=O)(=O)NCc3ccccc3)NC[C@@H]2C1 305023307 OKTUZOFKFFUOKJ-QGZVFWFLSA-N 437.566 0.987 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 410147629 MMQKNRAUHLVVSS-UHFFFAOYSA-N 426.539 0.928 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 438835707 DDIUDEATVSUKPG-IBGZPJMESA-N 434.566 0.851 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)n1 440379583 XOLWLXXQIRTYNJ-CYBMUJFWSA-N 436.881 0.615 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 440987975 QHKJHFJVPOZROZ-KRWDZBQOSA-N 439.472 0.836 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1 446825430 JJIYFNZYQOEJPZ-OAHLLOKOSA-N 436.490 0.084 30 20 ICED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 461758232 KNXICHYBWFKMHT-DZGCQCFKSA-N 426.520 0.007 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)CC1 491089746 NKLHMBONTSAEGN-UHFFFAOYSA-N 443.577 0.569 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 491142164 YOMHOCKFLFSKCE-UHFFFAOYSA-N 425.405 0.628 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 491213885 QDZUQRFPDWTJGS-GOSISDBHSA-N 443.504 0.189 30 20 ICED CC(=O)N1CCN(C(=O)[C@H](C)N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 494487700 RDEGWEGWIYEZAQ-LPHOPBHVSA-N 448.545 0.807 30 20 ICED C[C@]1(C[C@H]2CCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(=O)NC1=O 503106837 CLCCAMKRRNGXDH-DRSNIGMVSA-N 438.488 0.821 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCCO2)c1=O 505700244 NXLSKJWGBFGXJG-MRXNPFEDSA-N 443.573 0.796 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCOC2)c1=O 512724781 GWJOGZLLWQBAQF-HNNXBMFYSA-N 441.557 0.725 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 515887679 RQVRHALXYQGMCH-ROUUACIJSA-N 426.521 0.801 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 526096531 WHGJQTMOKWRHFD-UHFFFAOYSA-N 426.481 0.393 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCCO2)c1=O 533883403 VMXRCWQBIOZWAX-INIZCTEOSA-N 429.546 0.723 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538076908 KYQCMMNXGDMEFI-UHFFFAOYSA-N 431.541 0.851 30 20 ICED N#C[C@H]1CSCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 539330472 JJWDJAKLGXYWMV-INIZCTEOSA-N 436.559 0.767 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 553987855 YKMAMOPSMHYGMB-QGZVFWFLSA-N 425.489 0.909 30 20 ICED CCCc1c(NC(=O)C(=O)NCCCn2cc(CO)nn2)cnn1-c1cccc(C#N)c1 567090044 VCMRKCJOHXYUSH-UHFFFAOYSA-N 436.476 0.925 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)c1 569413090 YGXRVMVMNNTKBW-NSHDSACASA-N 440.478 0.911 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 584196730 GFTIFNYFGLJKJG-QGZVFWFLSA-N 433.940 0.481 30 20 ICED COCCn1cc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 588998547 OWYJQLNVATXLMR-UHFFFAOYSA-N 427.465 0.232 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[nH]c21 604495485 DTVGFDSUJPXECS-HNNXBMFYSA-N 439.451 0.843 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 606036977 OMLWXOHLNTZWBJ-AWEZNQCLSA-N 437.522 0.720 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 615315742 OUYWNMJJPVYJPZ-OAHLLOKOSA-N 437.447 0.621 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(=O)NCCOC)CC1 673732297 KFWFAIUNALFVEH-UHFFFAOYSA-N 427.505 0.958 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 726576012 TXSAKRHLQDSTMA-UHFFFAOYSA-N 430.445 0.796 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)cc2Cl)c1=O 727162939 CEIAWEFDKHUVAS-UHFFFAOYSA-N 443.337 0.792 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCC#N)n2C 731235689 JJJIEOANAIXXSD-UHFFFAOYSA-N 435.506 0.719 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 751100012 XXLVTYRFZXWFDA-HNENSFHCSA-N 434.541 0.439 30 20 ICED COc1cc(OC)cc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 752182941 XLPUIKMKKIZUMF-CXAGYDPISA-N 449.485 0.023 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 756884513 WTNVCUNNKRBPLA-ZFWWWQNUSA-N 447.517 0.990 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 767676954 QKOYXBIFJRDLSV-RHSMWYFYSA-N 443.481 0.888 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)c1ccccc1 767681537 RWWNQAHPTVIVRN-AWEZNQCLSA-N 429.454 0.767 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CC2CN(S(C)(=O)=O)C2)C1=O 777460993 STSXPKQLGULHNH-OAHLLOKOSA-N 440.547 0.654 30 20 ICED COC[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)OC 781540528 JWPKMDQUCRGRMA-VDVBZYJVSA-N 426.495 0.216 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 781936975 JNLMFHSXGXVLPG-DVEDPGPFSA-N 439.538 0.549 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781948496 BDGPQAVWGYGGIX-RDJZCZTQSA-N 449.920 0.959 30 20 ICED CCN1CCN(C(=O)[C@H](C)OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 783673420 NZGTYRGFXFBUDK-MAUKXSAKSA-N 441.488 0.859 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)CC2)o1 786575075 DMUJHCXLJWVWBM-ZDUSSCGKSA-N 443.382 0.600 30 20 ICED CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NCCNc1ncccc1C#N 787776073 CNVGFZXTHVNXOW-UHFFFAOYSA-N 435.532 0.762 30 20 ICED C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 788824353 MIVGMCYCXMECAG-UHFFFAOYSA-N 429.502 0.299 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)c1 794643955 UZDXGOIMTHMZNP-SJORKVTESA-N 427.526 0.784 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c1 798743855 FDPZOKDJERNBEQ-ZDUSSCGKSA-N 434.478 0.923 30 20 ICED CC(C)C[C@H](NC(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 799247681 UAAYDQKZOQBMIE-AWEZNQCLSA-N 438.506 0.237 30 20 ICED C=CC[C@H](CO)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801182640 QFOXXFWHOLMHBL-HNNXBMFYSA-N 427.498 0.593 30 20 ICED CCOC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 808236601 HNMISVLQIOYQDG-KRWDZBQOSA-N 427.461 0.076 30 20 ICED CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238248 WLZRLPHGKQHNBE-OAHLLOKOSA-N 428.880 0.821 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1C 813731392 XNPMUYXOUSJPAL-AWEZNQCLSA-N 432.458 0.880 30 20 ICED O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H]1CCCN(O)C1=O 816759285 JSSAIIYNRDVSSK-AZUAARDMSA-N 436.468 0.996 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1F 914468114 RABYAAPRYUVZAZ-UHFFFAOYSA-N 447.448 0.488 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 915785182 QTZNEWYWGCTNCU-UHFFFAOYSA-N 428.474 0.660 30 20 ICED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(=O)c1 1166531428 UEGCBGIFZNJQAR-UHFFFAOYSA-N 444.469 0.024 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1299304044 XYOWZPOEIFZDDU-YOEHRIQHSA-N 434.522 0.606 30 20 ICED CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1515061504 PQSFAJGYMKFMRK-KRWDZBQOSA-N 425.493 0.684 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1541103891 ISPXFZHMNKUDAI-AWEZNQCLSA-N 443.599 0.391 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1554123601 XNKQCIVBQFVYBE-OXJNMPFZSA-N 447.517 0.503 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1593886082 QUQCLIAPPXRMJO-UONOGXRCSA-N 444.945 0.175 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1625972697 TZWWSLXZTMQNKD-WFASDCNBSA-N 426.520 0.470 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1696032081 WZTBLISOQRJHHM-DNVCBOLYSA-N 441.554 0.466 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1748171540 NGDXSOCXTRLDED-GOSISDBHSA-N 449.519 0.953 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1751238717 VDPQPTPVNVGWPJ-RHSMWYFYSA-N 437.570 0.491 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115839 BSVDHCMBJXQPPQ-FQEVSTJZSA-N 425.551 0.291 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779016661 ZEEIGJQLJBGESV-KSFYIVLOSA-N 449.504 0.694 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)ncn1 1779134232 DIKVGNYXZOQCGN-SWHKHVPSSA-N 427.417 0.330 30 20 ICED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1)C2)C(=O)C(=O)O 1781540618 NFUJAJTUBUAMRH-VGOFRKELSA-N 442.472 0.229 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CN(C(=O)OC(C)(C)C)C3)CCO2 1783055155 OSXDOUNBEFULSG-QFIPXVFZSA-N 443.504 0.748 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)CCO2 1783566808 JQXLRYHOBXHWCE-QHCPKHFHSA-N 435.436 0.175 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1784484521 DNHRNWISVHPKIB-VJANTYMQSA-N 444.532 0.305 30 20 ICED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784512303 SIWAUTLYYGZQBP-NWQJETKOSA-N 440.566 0.344 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1)C(F)(F)F 1785519418 AJSIACJCHVKWNC-UBHSHLNASA-N 426.395 0.892 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1785645707 KDJJLDCWCRPCJI-JYJNAYRXSA-N 430.509 0.360 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nn1C 1789400588 LBGBNEKUUZWGOO-RXYBXQHJSA-N 432.525 0.494 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1789957420 SCXRJOWQCXWJAE-WOYTXXSLSA-N 429.539 0.344 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795359716 SDTOPIXFBRVOHO-HGKCTWBKSA-N 428.627 0.672 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1795599404 BIJTXSRTDFJOAM-MIFYACCESA-N 443.533 0.571 30 20 ICED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C(C)(C)NCCC#N)CCC2 1795600600 AJBSXGOLSDYOSQ-JLVBRIDZSA-N 428.537 0.394 30 20 ICED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)NCCC#N)C3)cn2[nH]cnc(=O)c12 1799147765 XMNMWZHKCINCNW-MUJYYYPQSA-N 439.520 0.865 30 20 ICED C#CCO[C@H](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 1799980086 PSHNLPMFPRUHDW-RRQVMCLOSA-N 449.548 0.891 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1803444882 DVOQVPUORFHBAG-UTKZUKDTSA-N 432.484 0.755 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1803608416 SJCNLOMZZZPEMN-SXLOBPIMSA-N 438.594 0.328 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)O1 1803647362 ZYFNHJUQOOZWKT-OSMRASEISA-N 445.476 0.725 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392091 HGQJDDLEOOODPZ-MAUKXSAKSA-N 438.444 0.144 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@](C)(O)CC(=O)O)[nH]n1 1814439575 PXKJIBVYQQPACJ-VDCAWRILSA-N 447.492 0.876 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(C)(=O)=O)n[nH]1 1817057451 WUCPMLIUOOZQQH-AWEZNQCLSA-N 426.495 0.956 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1824491634 WLDKWTNIPXXIOW-MJGOQNOKSA-N 429.517 0.960 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1826896056 AEQWKMAARLBLQX-SFHVURJKSA-N 443.548 0.813 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829266253 RLAOWVWLBMERGF-JTSKRJEESA-N 426.473 0.206 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1829771473 RDMYAACCYLZZOZ-PCTIINIJSA-N 433.530 0.176 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1830460564 QXWVSYLMXTZWDE-ZRCGQRJVSA-N 427.501 0.718 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831032150 FRVZVVBKNHBYLY-RRFGBZISSA-N 438.502 0.562 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1831391458 BXILWSCIJIEGGK-KOSHJBKYSA-N 441.528 0.787 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831403976 FUPAUEBZXLXEQK-XLIONFOSSA-N 446.566 0.106 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831490788 LLPHEXQHYQUFII-UZLBHIALSA-N 433.534 0.982 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C\c1c[nH]c3ccccc13)CCO2 1832738332 PNBJIQMYRUHKLQ-IYZQMXKPSA-N 437.452 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3csnn3)CC2)CC1 1833074255 DDFVYMUZHXAQFI-ARJAWSKDSA-N 432.550 0.582 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)C#N)CC3)CC2)CC1 1833147974 VXWFHGOLUSWAAY-UHFFFAOYSA-N 446.596 0.272 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833450368 FDMQNHDGEQUXLI-JTSKRJEESA-N 432.521 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833481274 VXGFWHAURPNLTO-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833567560 OXCNQMXIFOEGNU-IBGZPJMESA-N 440.497 0.772 30 20 ICED Cn1nccc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834212077 HRMJRQKGBIDKQP-UHFFFAOYSA-N 429.569 0.887 30 20 ICED COCCOCCOCCC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607458 PBXNMFAVSQGYRT-UHFFFAOYSA-N 438.569 0.931 30 20 ICED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)C#N)CC3)CC2)CC1 1834622210 HNCFVQGHXGIVJP-UHFFFAOYSA-N 432.613 0.745 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834760136 HOKFAOASUKDXKM-HXUWFJFHSA-N 435.502 0.139 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344765 SOYAMVONVWJIBS-SFHVURJKSA-N 441.410 0.813 30 20 ICED COc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)ccc1[N+](=O)[O-] 1835358741 JMNBGQIRVWKXTQ-OAQYLSRUSA-N 446.460 0.906 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672692 HSIVAMDCXYGOHJ-QFIPXVFZSA-N 429.521 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1835681352 SUKOEFMYVVJTKT-QFIPXVFZSA-N 446.552 0.402 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1835714160 JYFJPIBXLLMORA-GOSISDBHSA-N 431.537 0.941 30 20 ICED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781568 FQXHBVZGNWEOQK-LPYMAVHISA-N 433.509 0.626 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837301041 UMSYTLDJEJRAQN-FGZHOGPDSA-N 427.457 0.591 30 20 ICED Cc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441056 PAYBBKHTWBVVAE-OKFCBPFISA-N 435.550 0.993 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443449 KONHKXJNCDQKOL-GWJNGDFSSA-N 430.509 0.327 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837446620 FZWKEVICCKZUCL-UBUILKLXSA-N 436.553 0.466 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837477328 MJPVNNUUKGWRKY-LZJOCLMNSA-N 433.509 0.325 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837527673 SKYBTCVCSOCSNF-XTMRZVPFSA-N 449.508 0.177 30 20 ICED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)s1 1837562105 CYKOZHQFIJAHHZ-WMTXGSMFSA-N 433.490 0.507 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnc(Cl)n4)CCO3)C2)c1 1837925070 WXANPWKAVLDKEA-IBGZPJMESA-N 430.852 0.714 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838043483 OOKJSHMOTRJMRJ-GCJKJVERSA-N 434.537 0.626 30 20 ICED Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838204716 ZWSZWBUEQPKHON-JOCHJYFZSA-N 431.489 0.752 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)ccc1F 1839186838 QZTHIMUVZWSWNM-QFIPXVFZSA-N 439.447 0.800 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419731 SAHHJUIKEKUOPY-IVZQSRNASA-N 446.479 0.682 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452728 SNXKZUUSLQSKKA-UZUQRXQVSA-N 440.500 0.627 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccon5)C4)C3)c2c1 1839487469 JYSLTPOZZWHQBP-OAQYLSRUSA-N 436.428 0.806 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1839895981 GEOJCBKRYNDVKF-QFIPXVFZSA-N 426.469 0.448 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc4c3CCCO4)C2)C1 1840041958 RSKXFWFVLQFCDF-HXUWFJFHSA-N 434.470 0.231 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157023 BYTFHJDMCDGMKZ-IQUTYRLHSA-N 431.555 0.674 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193779 WIKGXZQEYUSALB-KSSFIOAISA-N 431.511 0.062 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1 1840352859 OPZKIVISCAOUCF-KADOOAIWSA-N 431.537 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436854 BWGJUYUYKDKTBK-AVRDEDQJSA-N 449.552 0.837 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 1841788088 ASGPLAMKIRUVCT-KRWDZBQOSA-N 449.548 0.990 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC1 409536463 OHMAHLKFUIAASC-WXLSXGNJSA-N 434.588 0.149 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179198 QTDWJXYFOBXKSY-IRXDYDNUSA-N 436.490 0.993 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 438334540 YFTITDCBWFRZKE-UHFFFAOYSA-N 428.478 1.211 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 444085482 OZJOPZWWXREMMN-UHFFFAOYSA-N 442.563 0.364 30 20 ICED CN(C)c1nnc(-c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)o1 446528227 ULBWIFHPQIKKBQ-UHFFFAOYSA-N 441.492 0.816 30 20 ICED CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460595513 ZZADKNDZVKENFZ-UHFFFAOYSA-N 431.456 1.452 30 20 ICED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(C(F)(F)F)c1 469269423 VOVHHHDBIVKDFN-CYBMUJFWSA-N 429.380 0.792 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 475559778 QIVGZUIQAGCNCI-CALCHBBNSA-N 448.611 0.762 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCOC3)c2=O)nc1 489012038 GNTLYQNRJCFTAU-HOTGVXAUSA-N 425.510 0.758 30 20 ICED CC[C@@H]1C(=O)N(CC)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495195343 NSDISYYFFBQZGM-GOSISDBHSA-N 447.561 0.334 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O 499064608 QYBBXUHSYMGUBB-UHFFFAOYSA-N 427.505 0.287 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nc2n(C)c1=O 501708682 SWXDKTFHSIRJDU-UHFFFAOYSA-N 446.467 0.995 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1 509790200 NUCBUOGIKSOWIL-UHFFFAOYSA-N 447.542 0.905 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)c2)CC1 513529797 BCQTYXAJTZOUBF-UHFFFAOYSA-N 446.537 0.554 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 532266075 NIWYGJFNJXYGDQ-UHFFFAOYSA-N 434.880 0.313 30 20 ICED N#Cc1ncn(CCNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 557636478 CACZXOFHFYYCOW-OAQYLSRUSA-N 443.467 0.779 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCO1 559220675 WFGXSMFXCZXMGV-WMZOPIPTSA-N 426.477 0.716 30 20 ICED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 560237983 JROUDTKNNMCAMS-UHFFFAOYSA-N 441.513 0.463 30 20 ICED COc1ccccc1N1CC[C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 566871999 QJCBGRQWKWLZQZ-OAHLLOKOSA-N 439.520 0.906 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1C 570891762 DESQBRNMEXVMPZ-UHFFFAOYSA-N 438.366 1.328 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)ccc1Br 571690881 ILHYPMVGFJBURV-GFCCVEGCSA-N 430.280 0.267 30 20 ICED CN(CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O 573516562 KJKXLWHGOAEUIT-GOSISDBHSA-N 428.470 0.848 30 20 ICED CN(CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579032158 WTJFCXKEQBIJLY-NHCUHLMSSA-N 437.544 0.966 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)N(C)Cc1nnc2n1CCC2 582636787 WKSVXGORIFVHDV-SFHVURJKSA-N 441.467 0.973 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1C#N 583055509 MFAWOBDKBTVDCJ-UHFFFAOYSA-N 439.501 0.801 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 588834684 ATVTVEDCFWSXAH-FQEVSTJZSA-N 437.460 0.880 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1Cl 610245113 UMRZTLBNRGVDOO-UHFFFAOYSA-N 434.905 0.085 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccnn3-c3ccncc3)C2=O)cc1 617091875 MHEWAPQHVCMTBU-GOSISDBHSA-N 429.440 0.995 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(=O)n(CCOC)c3)n2)nnc1N1CCOCC1 680713103 COHMKUQDRNXKTH-UHFFFAOYSA-N 427.465 0.750 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 728573085 KCHVAVNZAUJISN-UHFFFAOYSA-N 426.926 0.049 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1sccc1C#N 731810973 HITBKOTUZISGGW-UHFFFAOYSA-N 444.454 0.925 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 732154875 VLEWHMAOYBNWGN-HAVZMVERSA-N 432.477 0.611 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 732466125 LGXOOUKYBLSQAU-QZQOTICOSA-N 441.488 0.811 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1 735824830 SJDUDKSCOHEDQD-SFHVURJKSA-N 447.538 0.823 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739830234 NMRKVHZPJFWXFP-UHFFFAOYSA-N 436.877 0.757 30 20 ICED COC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)sc2c1CCCC2 746037229 KBJTVAMUBHIVBI-FOCLMDBBSA-N 446.485 0.995 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 747643901 MVBMNUCLJPZBIX-UHFFFAOYSA-N 443.529 0.865 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758951531 NMJWFDQGPQZGSE-UHFFFAOYSA-N 427.438 0.627 30 20 ICED O=C(O)Cn1cc(/C=C2/CC3(CCOCC3)C/C(=C\c3cn(CC(=O)O)nn3)C2=O)nn1 759084183 OBMYIUUFYZKGAP-FUJGBLOQSA-N 442.432 0.666 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760377268 IHOPVSMIYXJGAB-UHFFFAOYSA-N 430.917 0.815 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cn1 765146640 WEUFPZISBWBQIL-UHFFFAOYSA-N 438.513 0.679 30 20 ICED Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(=O)n(C)c1=O 767425139 AGLJNBSZPZCEKO-INIZCTEOSA-N 446.305 0.869 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 767677881 URROFTJCJBBHLL-CQSZACIVSA-N 426.454 0.956 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)n(C)c1=O 771893303 YMPYFSAIZQNSTO-UHFFFAOYSA-N 436.881 0.295 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CC1 773291029 JGVWTVXWOCVJCS-UHFFFAOYSA-N 447.604 0.380 30 20 ICED CC(=NNC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 776791770 LEJKRMXFBQGZKK-UHFFFAOYSA-N 430.596 0.807 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 783481582 QAZHCTFQMRAKLU-HXUWFJFHSA-N 446.573 0.804 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 785966770 LYAMVUCDTMPFMF-MOPGFXCFSA-N 433.530 0.561 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)C1=O 787748625 RAPHFVLVNZTJKI-ZUOKHONESA-N 428.445 0.956 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 788848021 CLLQANSMUORGSA-INIZCTEOSA-N 425.532 0.238 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790430214 UWJCJCSHEYOSBB-UHFFFAOYSA-N 444.538 0.274 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)CC1 790591476 PTIBJKFNTGLJPD-UHFFFAOYSA-N 430.459 0.810 30 20 ICED COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798857949 ZGKLJLTYOHTPBX-MRVPVSSYSA-N 442.251 0.765 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800033742 ICZHXVRJSGSXJK-HUUCEWRRSA-N 431.559 0.676 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@]3(C#N)CCSC3)ccc2F)CC1 800917855 XEENWCOAUGZRRS-SFHVURJKSA-N 440.522 0.808 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 803504731 OQJKXKDXWGBTAC-OAHLLOKOSA-N 433.534 0.912 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)cc1 804052405 YHKKWXXWGDPDNN-QRVBRYPASA-N 425.489 0.149 30 20 ICED C/N=C(/NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)NCCN1CCOCC1 848994382 PVVUYSDGQXDJJJ-UHFFFAOYSA-N 441.573 0.866 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 916923296 KANMSIVJXAAWHR-OAHLLOKOSA-N 442.472 0.936 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 918970575 XOWOYXOAPOEYDU-HNNXBMFYSA-N 437.518 0.825 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1296649520 HFWMDUBQOMPJAM-XMSQKQJNSA-N 445.568 0.879 30 20 ICED C[S@@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1316366925 RBWLJVZMZOGYAH-JYCIKRDWSA-N 434.547 0.909 30 20 ICED N#C[C@H]1CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCN1C1CC1 1462159422 DOYJUTHDLPAXCY-PMACEKPBSA-N 425.533 0.958 30 20 ICED CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1 1470668339 VRXBMTAHVIWGRR-GOSISDBHSA-N 449.581 0.740 30 20 ICED CCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1696176729 MCJFIQHEUONAFH-JKSUJKDBSA-N 432.506 0.751 30 20 ICED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1712697193 JRDBKORRWJQCLN-UHFFFAOYSA-N 432.506 0.490 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1726034304 JKSPSMKSFMXQOQ-LJQANCHMSA-N 433.538 0.429 30 20 ICED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768522425 KKGWVASTTWWZJV-DLBZAZTESA-N 446.533 0.809 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778780813 KPSKKIRVWYRILR-OAQYLSRUSA-N 427.461 0.911 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1778789631 YVWGUQCGIAWSTI-DYESRHJHSA-N 430.461 0.375 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1Cl 1780187560 HFQQWCVBOKQWHS-HXUWFJFHSA-N 445.863 0.207 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCCN2C)C1 1780586421 FSVFWJNJXKMQLO-BNZLUUEQSA-N 432.565 0.843 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298198 ADCNWVMYSCKWEG-OYHNWAKOSA-N 430.480 0.937 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784912476 SJYXZTRZQALHCL-CYDGBPFRSA-N 438.374 0.360 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1785572255 LBXDNEKZDZOMAQ-HCGPFCPLSA-N 435.521 0.504 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785575592 NVUNKZDBAATNDR-ULQDDVLXSA-N 446.504 0.902 30 20 ICED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)ncn1 1785643425 JJEHUFLZSVELKG-KBDGVSKDSA-N 441.444 0.480 30 20 ICED C=C[C@@H](O)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 1788569956 GYFBJNTZDZGFIM-QUSNUVHPSA-N 430.567 0.220 30 20 ICED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791327356 JQPAJFJVLTYUKO-JJIBRWJFSA-N 445.564 0.879 30 20 ICED CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1792225967 APZYCNMHBHXZCR-ULQDDVLXSA-N 436.553 0.837 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)C1 1792968837 PTGSZLCHJCGWBE-KYHREEPGSA-N 446.544 0.864 30 20 ICED 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@H](C)S)C2 1793602358 XTLXYKAUGCOXFK-YUDUXTHKSA-N 445.582 0.823 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793819211 VGWPRTOMKMQAPM-ZUMXRPEOSA-N 448.545 0.502 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N(C)C(C)=O)C3)c(O)n1 1794490076 UUMCEWUSXYKYOF-DFYYWFRZSA-N 444.532 0.976 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CC2=O)c1 1795416331 IOAUVJPUSIIWKS-FSTVOOFJSA-N 440.500 0.941 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cccc1=O 1797812179 ZWSNQCRDELEXJV-OZHCATNZSA-N 432.477 0.118 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncon2)N(C(=O)OC(C)(C)C)C1 1798352578 MBVGJSKIRDEQMD-FZKCQIBNSA-N 447.492 0.838 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c1 1799745114 RUQHQHPVRALYLP-HBCWATKFSA-N 426.404 0.613 30 20 ICED 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)CN)C2 1800025093 FAMJYWLAXFCSQN-FLXSYLCISA-N 435.569 0.607 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800544602 LQCAUWJJPLBHRW-WJTVCTBASA-N 430.477 0.590 30 20 ICED Cc1nc(Br)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778370 PVLGASHRNKAVLB-DDFAGTSDSA-N 442.291 0.505 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801765878 VDNOGWCKSUVPGL-GELNYDQASA-N 444.488 0.581 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1803512925 NGNACTVRDKYOFB-IVLDLLIGSA-N 449.577 0.994 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806275215 HCXLYNDFEYMTOH-XYJFISCASA-N 431.493 0.887 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700289 TUHZEXKXSRPOEC-GOSISDBHSA-N 441.594 0.539 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1806768533 KVLZDOFIXIWMNL-PNYYXPLCSA-N 435.550 0.604 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810351084 VRKMRRLSZXIGAW-PWWKTKHKSA-N 448.523 0.790 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811446218 ZFIOZNJZDIFCSR-BDGDHSELSA-N 436.472 0.343 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716331 MOOZJBZUTAXNJR-OFNKIYASSA-N 430.549 0.568 30 20 ICED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815115698 ZFXHQEIXSNRLFB-KRWDZBQOSA-N 433.534 0.546 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)NC(=O)CO4)sc2C1 1819148555 IWYRUWXKQWZKBV-LLVKDONJSA-N 440.437 0.788 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)c1 1822199282 IAWYWQAYPQJKGV-OAHLLOKOSA-N 445.457 0.602 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C)CC1)CC2 1822927372 GOVZHEDYSQCEGP-HNNXBMFYSA-N 449.577 0.812 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)n4nc(C)ccc4=O)C3)C2)C1 1829669195 QTIRBHIBVBMESM-QHCPKHFHSA-N 444.532 0.709 30 20 ICED COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830227489 OUKONOMDGWOLDJ-JOCHJYFZSA-N 429.473 0.834 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831217770 AFESGOCQIPNVBO-FQEVSTJZSA-N 427.486 0.570 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223171 OUHVOSMOBJHWBZ-MHECFPHRSA-N 439.512 0.675 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1831397222 VZVRHZCJMLOYHN-XOBRGWDASA-N 432.502 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1831398379 AJNAPEYMJABQNV-SBUREZEXSA-N 440.500 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831399215 RNCQKDFLUNUYQU-WAIKUNEKSA-N 441.484 0.290 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1831406078 RWNHDLDZMZFIRH-JOCHJYFZSA-N 434.537 0.939 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1831412710 ASVASDOJEWSDAU-JOCHJYFZSA-N 432.521 0.882 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831490756 KVFHDELNAACDPM-YLJYHZDGSA-N 440.566 0.554 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3C[C@@H]3F)CCO4)c2c1 1832128502 KUZYENPOWDYHTI-ZJTDPSCFSA-N 427.436 0.863 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)CC1 1832772147 MKOPMBJXHICPTN-PKOBYXMFSA-N 444.532 0.915 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832938718 VQTWAMUKZFLSTJ-OAQYLSRUSA-N 432.525 0.081 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833040521 PRTQARFMORQFBJ-JOCHJYFZSA-N 448.520 0.466 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833188736 VWACHJYBFHFZJN-QHCPKHFHSA-N 445.516 0.980 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833671135 LCTJCLZMNSPTLE-JOCHJYFZSA-N 448.495 0.626 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1834714393 NAWXIQXUBXCHQY-KRWDZBQOSA-N 446.596 0.366 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)N1 1835118441 BVIUEPWYJWVNBC-NJKCOCCLSA-N 447.513 0.222 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)CC1 1835718591 QSKKCNKAYBBPOV-VQIMIIECSA-N 432.569 0.984 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837490378 AVTRKKUBIZQIIE-QHCPKHFHSA-N 444.532 0.416 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838215448 FCNLXQUQMQYTCA-HSZRJFAPSA-N 442.516 0.554 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(Cl)ncn4)CCO3)C2)c1 1838256741 ATYVIRBFRWOGFR-LJQANCHMSA-N 430.852 0.714 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1838581875 TWUVXCCLYMVKCZ-QFIPXVFZSA-N 439.472 0.603 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c1 1838583488 FRKRHNUWFJNGHG-AELLWPAVSA-N 443.456 0.668 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838733055 MCMUWPWUBBAREC-OAQYLSRUSA-N 431.493 0.263 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949530 HJGXQUUODIRUSD-DENIHFKCSA-N 428.489 0.543 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839532732 WOAHPILOWUSMEI-AVRDEDQJSA-N 432.521 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccc4)no3)C2)C1 1840042380 RLFTVWJAXDSVTE-QFIPXVFZSA-N 439.424 0.500 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840550370 SUPWURDMNAJROS-FQEVSTJZSA-N 435.502 0.063 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840816617 DFZQVTMIGAKDFA-QHCPKHFHSA-N 447.532 0.725 30 20 ICED O=C(COC(=O)C(F)(F)F)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1844205833 RCDJWDJWCBRRQU-UHFFFAOYSA-N 438.252 0.651 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844287328 PNUHNDFPMKQBDC-IBGZPJMESA-N 445.447 0.938 30 20 ICED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845139601 LBFGTXWWKNHPCW-UHFFFAOYSA-N 429.546 0.797 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1847070687 ZOUQAHIYSDIZNY-QXPKXGMISA-N 444.532 0.941 30 20 ICED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 11437659 WEVIINLRJBNUSW-UHFFFAOYSA-N 427.223 0.851 30 20 ICED CN(CC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C#N)cc1 109053142 VSEAIHVUMYNWLP-HNNXBMFYSA-N 447.469 0.464 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 437051990 PYOIAIYSLDRLSS-JXFKEZNVSA-N 431.489 0.960 30 20 ICED N#Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnnn2CCOCC(F)(F)F)cc1 447345568 NVOQHENCYPVTMC-UHFFFAOYSA-N 432.384 0.677 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463384971 PCJNQUAACHJDGM-CVEARBPZSA-N 428.536 0.469 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)n1 471397502 JQPDSBNFPSWEOQ-FQEVSTJZSA-N 440.548 0.481 30 20 ICED CC(C)n1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 483665441 ADENSPDZPPNCNO-UHFFFAOYSA-N 430.490 0.807 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c(C)c1OC 488273988 SFGDOSWWTXBKJA-UHFFFAOYSA-N 429.498 0.134 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)o1 489015082 PMTLSZXWKRIFPU-GOEBONIOSA-N 444.509 0.937 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1=O 499805128 ATYQADJYQQDNHJ-UYTHQXMGSA-N 425.445 0.205 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)CCc1c(C)nc(O)c(C#N)c1C 501954723 FHWGWIAPMCZJSE-UHFFFAOYSA-N 439.519 0.774 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 502828190 PPMFJQZCQMJQAB-UHFFFAOYSA-N 434.416 0.703 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3cc[nH]n3)CC2)cc1 507869193 UZFRIOACWICARL-UHFFFAOYSA-N 430.490 0.228 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508121591 SVKSJAISMNQATG-DYVFJYSZSA-N 430.490 0.270 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 509002785 VAGOZQKBKIOALX-UHFFFAOYSA-N 449.515 0.141 30 20 ICED Cc1oc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C#N)c1C 510067276 BEWZDVFEYSPQMT-GFCCVEGCSA-N 449.489 0.794 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@]12C(=O)Nc1ccccc12 513667035 QKWUKVWVABDRIO-XCLFUZPHSA-N 425.470 0.618 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@@]12C(=O)Nc1ccccc12 514020854 SPBOSOBPRYSPPH-MGPUTAFESA-N 431.518 0.761 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 514646092 WWUPVUMYUHLBLZ-UHFFFAOYSA-N 427.526 0.936 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)n(C)c1=O 530638697 XECGNBTVFSSLBY-GFCCVEGCSA-N 436.350 0.713 30 20 ICED COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCCO 534626873 PARVNNZGQJOVKJ-CQSZACIVSA-N 433.486 0.921 30 20 ICED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 540972960 QVOZAJNJXNCRLX-UHFFFAOYSA-N 436.469 0.656 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554135098 DEIACHQKVMDNMS-QYZOEREBSA-N 439.516 0.539 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)c1C#N 560731873 DQNXQIICQYQZTB-CYBMUJFWSA-N 427.431 0.002 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1cnnn1 576035761 SSXZKGZZIKOGII-UHFFFAOYSA-N 433.432 0.225 30 20 ICED Cc1cnn([C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)c1 577090842 XQAQTJLMFJYDBI-LJQANCHMSA-N 442.545 0.843 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1cccc(C#N)c1 587675125 UZIJGYSVJPLRAS-CQSZACIVSA-N 431.474 0.398 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)ccn1 589408896 RERFODIHFFUDOY-QGZVFWFLSA-N 430.442 0.614 30 20 ICED COC(=O)CSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609240951 URCOTAIUUXEVQS-UHFFFAOYSA-N 426.520 0.480 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 609358636 QAXUSKAYTZMWJE-CQSZACIVSA-N 429.506 0.873 30 20 ICED CN(CCC#N)S(=O)(=O)NC1CCC(CN(C)S(=O)(=O)N(C)CCC#N)CC1 609676134 KUEIOXNRKXEAOS-UHFFFAOYSA-N 434.588 0.247 30 20 ICED COCCN(CCC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 616415092 SJDDWYYKDJWUBX-UHFFFAOYSA-N 431.536 0.567 30 20 ICED C=C[C@H](O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 646636054 QLGVJRBOGSFNQE-AWEZNQCLSA-N 431.898 0.305 30 20 ICED Cc1ccc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1S(=O)(=O)NCC#N 726880224 RUYMETUPMWPVRO-UHFFFAOYSA-N 442.457 0.747 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 733889454 RXZFQJCDRSIAOR-DQRAZIAOSA-N 443.479 0.897 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1C 734581907 MPVAWYPDFXBUDN-GOSISDBHSA-N 445.501 0.771 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 735082154 OETCCCZFMHMDDT-JQIJEIRASA-N 446.407 0.783 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 741218875 SQLCKLJGWQFVPD-FQEVSTJZSA-N 440.544 0.588 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 745355637 DNTGISKMTJOYSH-DZGCQCFKSA-N 439.538 0.978 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 749158648 WEFXLJPUJKNMHU-UHFFFAOYSA-N 429.454 0.424 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)CC1 749874515 LRFHDISDVJTBRS-JOCHJYFZSA-N 426.473 0.392 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1=O 752800755 QHQMYRMXUBCSDR-HZPDHXFCSA-N 435.525 0.736 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C#N)C1 754388396 HXTPAKFFTKQQTR-IRXDYDNUSA-N 435.525 0.139 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NC3CCOCC3)C(C)C)CC2)o1 754505008 MMZXZZLXVOSLBS-LJQANCHMSA-N 433.509 0.840 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 758093797 SUMBRBSWVQAFBY-CQSZACIVSA-N 437.522 0.995 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 761172936 RNJUPWSZQMPYJQ-IYVPYFHTSA-N 426.404 0.590 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1 767628124 PVMLGJWWECIVHH-OLZOCXBDSA-N 444.469 0.894 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 767677871 BWKANLUCVREQOZ-CYBMUJFWSA-N 442.453 0.754 30 20 ICED CCOC(=O)CON=C(C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1)c1cc[nH]n1 772274761 HXDHNWJIEOUTSU-OAHLLOKOSA-N 449.489 0.304 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1cc[nH]n1 772545438 DFWXGQXEIWOBEU-TZMCWYRMSA-N 434.453 0.569 30 20 ICED COCc1noc(CN2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 780608342 NVXKAOHGTQGMSV-HUUCEWRRSA-N 449.512 0.802 30 20 ICED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C 783396113 IMIWXKYXRSMWMP-OAHLLOKOSA-N 443.547 0.514 30 20 ICED CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CC(C)C 789933702 KGUMBQHHBIYCMR-QGZVFWFLSA-N 430.509 0.879 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc[nH]n1 789973557 IHSOGPKWTNPVMY-UHFFFAOYSA-N 449.414 0.956 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCOC2 791688332 LVFGPEFKZNRNLM-CQSZACIVSA-N 432.506 0.578 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)cc1 795191649 GVYKMBTZBMFTSZ-UHFFFAOYSA-N 437.525 0.979 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798744899 WHACEXNCZWQPNV-QWHCGFSZSA-N 434.478 0.968 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC(O)(c3scnc3Br)CC2)CCO1 800138091 JCXIRNPZURPSPR-SNVBAGLBSA-N 437.341 0.658 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCCC(=O)N2)CC1 800245870 LSXPJZUQPCWNDM-CYBMUJFWSA-N 427.417 0.667 30 20 ICED COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)c(OC)c1 813980292 ZJUOMGKASLJYRO-CYBMUJFWSA-N 430.442 0.828 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)nn2)CC1 815438310 WMZLYMSOGCQJIT-UHFFFAOYSA-N 449.876 0.692 30 20 ICED Cc1nccnc1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815855159 HLUFWMNOSKBBTR-BWAHOGKJSA-N 444.517 0.895 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 914532288 DDSMKRYNEFNEPD-UHFFFAOYSA-N 429.462 0.492 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 919048931 ZAUZIHVQEZILCA-OAHLLOKOSA-N 435.502 0.272 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 920248720 FUVYONWKRVSBLC-IRXDYDNUSA-N 440.543 0.406 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1Cl 1307599443 LTBCNLKUEFVVCU-SJORKVTESA-N 426.926 0.316 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1318221175 NIQFXJGTRBKFOY-UHFFFAOYSA-N 434.518 0.974 30 20 ICED CC(C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1360269401 INKKCFXPNLABNI-CQSZACIVSA-N 431.522 0.913 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC1OCCO1 1455326053 ODEYZTQDWSBTEB-ZFWWWQNUSA-N 425.507 0.380 30 20 ICED N#C[C@H](CCc1ccccc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1465381314 IZUARHHKZBTOSG-RBUKOAKNSA-N 432.546 0.206 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC(=O)N2CCOCC2)cc1 1505319213 SCBDHTQYFHEJAZ-UHFFFAOYSA-N 440.504 0.796 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)CC1 1541993647 ZOCMSXWUEARYSB-UHFFFAOYSA-N 429.525 0.779 30 20 ICED COc1ccc(C[C@H](CO)CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1Br 1639924282 MDMLKHFEEOGGCK-LBPRGKRZSA-N 437.294 0.990 30 20 ICED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1723635108 SRUWYNRUKUTCBT-UHFFFAOYSA-N 425.493 0.922 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccs1 1779016082 MAZLKAWWXGFUCE-KURUZVKSSA-N 447.561 0.780 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779056344 FMIIKWRVHGZDQX-WZONZLPQSA-N 441.532 0.806 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779066159 FYNUFHRUKZLGAK-HSZRJFAPSA-N 441.484 0.952 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1779105181 KSWKKQLTKFHBQU-ZMNJEPIRSA-N 435.437 0.895 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779140221 VJCQNAIJNBGIRS-WERUZOGYSA-N 442.516 0.929 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1C)C2 1780738347 UJPOPWUOUMMEHQ-GSHUGGBRSA-N 435.521 0.631 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781562257 CRSASGVMJMUXFK-ZXYWRSMDSA-N 438.506 0.589 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781650051 MYUDJGXRLFGUFF-TVKQPGBESA-N 426.535 0.116 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2)n1cnnn1 1782594704 BLTCBFLBYFDWQW-ZWDAVXSWSA-N 437.504 0.862 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786154 XWDRSMUYPWVQQO-MGPUTAFESA-N 434.449 0.178 30 20 ICED 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 1783995320 PEBOLZNEBDZENH-FQKPHLNHSA-N 431.555 0.170 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1784489547 VHBJKWXIGODMRG-XSLAGTTESA-N 445.582 0.277 30 20 ICED C=CC[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 1784784140 GBVQGRUNHVQYHY-HMDCTGQHSA-N 425.526 0.816 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785588332 NNSNWZMUWKKRSG-JQFCIGGWSA-N 434.518 0.628 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786859201 VWOGYGMWAYXDMU-WVKSWFRASA-N 429.521 0.960 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512385 HQDFBPJIMTUQQI-LDFDMIBHSA-N 448.545 0.060 30 20 ICED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)CC1 1788660639 CLDHIQGJGSGQEG-RNIHYMQRSA-N 437.493 0.448 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)[C@H]3C2)c1 1789771480 YBUCSVXHPCEDTC-GJNTUIEKSA-N 439.516 0.881 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)cn3)C[C@@H]21 1789890332 MUNRJROKYUGZLU-ZOBUZTSGSA-N 432.477 0.588 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSC(=N)N)C[C@@H]32)ccc1F 1789906996 HGOHSJWXBUPXMU-QRTARXTBSA-N 433.509 0.846 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1789955316 ILETXMSIXWJEEF-CVYDXHPNSA-N 434.493 0.790 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)ccc1F 1790860218 SAZWGQOZMBWUKV-XPYUAMARSA-N 428.464 0.356 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793319057 CHDNXUKUMRLNCG-UPHUGPLXSA-N 449.529 0.134 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccc[nH]2)c1 1794035917 SNYXKMFRIMYCFR-RMFSNUHRSA-N 435.484 0.910 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)n(-c2cccc(=O)n2C)n1 1795418964 ULMAMTVUOLIDPL-VPTLXERWSA-N 438.488 0.386 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795604958 VLONDSNCVZRDPW-BMFAXAFESA-N 428.537 0.753 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445348 QTEUCFNEERDMMI-ZCLYSMHCSA-N 434.518 0.524 30 20 ICED CCNC(=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 1797697651 JSUMSCDRPHWHQI-IKPIXVSQSA-N 448.545 0.784 30 20 ICED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3(O)CCCCC3)(C1)C2 1797785039 FDSWVRHPMHDDOD-HBNULIMFSA-N 444.528 0.618 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2cccnn2n1 1798420128 KSXNKYGGRFJDIS-UHXXWTPBSA-N 442.476 0.462 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)c1 1798691621 WTBSNRPRKKLBDR-HGKCTWBKSA-N 442.497 0.807 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC3CC3)cc1F)C2 1800778913 WHQBOUZZHLEYNV-USGNIVHTSA-N 430.432 0.906 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)C2 1800779647 RPAMWSFRQVECGW-VPTLXERWSA-N 436.424 0.140 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801953632 YKKNRHKUBRRBDO-JTJHWIPRSA-N 443.544 0.969 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807351205 WKUJSALFLWUJLN-YOEHRIQHSA-N 434.460 0.682 30 20 ICED CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1817016247 DGGSGCHJVRBKFQ-FMRLYGOUSA-N 435.554 0.974 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817295340 WLNOVKLSRBXVRK-RSFOSLOZSA-N 426.481 0.954 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890274 NUORQNMRDPTCHI-HOCLYGCPSA-N 447.561 0.258 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OCC)sc2C1 1819457912 DGABEYMYEQJGMG-OHUAYANFSA-N 426.495 0.711 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022558 GLGOHQWRURTUML-GOSISDBHSA-N 437.541 0.671 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825971776 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C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c(O)n1 1833696281 YYHYFUNXXNDMGT-AUSIDOKSSA-N 447.532 0.993 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1835361697 YLAGQDPXIWXCOJ-HXUWFJFHSA-N 445.501 0.500 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399915 CGKOGSRHVWMSTN-XMMPIXPASA-N 448.608 0.849 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835672661 GKVAUQZDUHMCEF-NRFANRHFSA-N 448.524 0.092 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838736910 BRVKHBOJKJLIKF-NRFANRHFSA-N 440.460 0.249 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1839174016 ACZGTRZGASBDQT-HSZRJFAPSA-N 445.516 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1 1839353083 RYLXMCOENLHZNM-YCRPNKLZSA-N 449.435 0.842 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1839418957 DRAGBOBLRUOOFS-OPAMFIHVSA-N 444.463 0.294 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487677 DUDPVYLJVPDXFA-VGSWGCGISA-N 440.504 0.503 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34CC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810862 VVWPMJVETNITOJ-NLSFWIRASA-N 447.532 0.723 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840045876 FNUMFABIKWTRSF-HRAATJIYSA-N 436.509 0.756 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1 1840163542 JXCACCRZRLCIST-IERDGZPVSA-N 445.545 0.964 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1)c1ccc(O)cc1 1840219939 OOFWNQNWPKYMRM-CVDCTZTESA-N 430.501 0.992 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840797675 ZBKPKSYPYMZVOH-JOCHJYFZSA-N 433.505 0.643 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2)C(C)(C)S 1846302259 RYJBMKLJTMJJHJ-CYBMUJFWSA-N 443.570 0.460 30 20 ICED CN(CC(=O)Nc1ccc(CC(=O)NCCO)cc1)S(=O)(=O)c1ccc(C#N)cc1 426890101 PXYBCSSIVXCMDT-UHFFFAOYSA-N 430.486 0.468 30 20 ICED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N3CCc4ccc(C#N)cc43)no2)cn1 433659171 FRBVUMDFWYNNNR-QGZVFWFLSA-N 433.428 0.831 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435828032 RKTRWASDEJHXAC-ZBFHGGJFSA-N 433.472 0.628 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)CCCN(C)C)CC2 438758319 ZHMRUASSQYVHHB-UHFFFAOYSA-N 435.550 0.568 30 20 ICED CC(C)c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 441667994 IUSYYHBSELCQBY-UHFFFAOYSA-N 431.474 1.141 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(CCS(N)(=O)=O)CC3)C2)c(F)c1 443431241 VGHIHKJBXRANFL-INIZCTEOSA-N 438.529 0.282 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3c(-c4cnccn4)noc3=O)CC2)cc1 444405778 UAMSUCATCPVRFU-SFHVURJKSA-N 435.444 0.711 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 447428995 SLPZLSGTFBUVKA-UHFFFAOYSA-N 445.461 0.167 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1C#N 461375302 PLBGVFXXQSPNRL-UHFFFAOYSA-N 426.523 0.406 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)nc1 467996364 VPFASVXHPBGAIC-GOSISDBHSA-N 446.467 0.532 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCOC1 478855119 LSHYPCROLOCNMZ-OAHLLOKOSA-N 429.546 0.751 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)cn1C 481065525 XWNRXGNPGLTELD-UHFFFAOYSA-N 445.473 0.574 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@]12C(=O)Nc1ccccc12 514017846 MCGTWVRYUDZHNR-LLVYHXAVSA-N 445.479 0.849 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1=O 521799859 WHRPZGZWVMZVNV-UHFFFAOYSA-N 439.516 0.197 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccn1 523181010 RMSQFLODXVUEDT-UHFFFAOYSA-N 435.465 0.705 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cc(C)cc(C)c2)n(CC(N)=O)c1=O 532800362 ZBXDWCJDYFLTOD-UHFFFAOYSA-N 435.509 0.614 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)n1 550173703 DYAQFHZNRFLPEK-OAQYLSRUSA-N 448.527 0.792 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 550277581 SYMBIXUKLVVXMC-WOJBJXKFSA-N 441.532 0.643 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(C)cc1 556784764 UAIOHWPJWLIXPJ-UHFFFAOYSA-N 437.525 0.515 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 557372238 ZWRSQHAEWCCYIT-WMZOPIPTSA-N 426.521 0.801 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 557820788 WGARSCLBCRXGNF-UHFFFAOYSA-N 426.432 0.755 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c(F)c1 561149879 UQTDLCYXTVBAEP-MRXNPFEDSA-N 426.452 1.218 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 570818471 ASAGIJSOCMKHGP-UHFFFAOYSA-N 442.586 0.869 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)CC2)c1C#N 589438498 CWAZSXOGLITABL-UHFFFAOYSA-N 440.485 0.966 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 609668477 RVYLXJMWLOZOCF-IBGZPJMESA-N 425.537 0.673 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610808645 RWKXOOGVBDJDJZ-NSHDSACASA-N 440.478 0.328 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(=O)N(C)C 611114813 DVSCUMQSBPYYMI-UHFFFAOYSA-N 448.495 0.551 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 729505781 MHJHXPZUCNUWTN-QZTJIDSGSA-N 433.534 0.437 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)CN1CCOCC1 732466406 NGDOMVLOTDRBML-HMDOMZECSA-N 427.505 0.756 30 20 ICED COc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(OC)c1 732910614 RFZINBPAFFJVNZ-ZFWWWQNUSA-N 449.485 0.023 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C1CCN(C)CC1 743726515 QAFSWDNXJFVQBN-UHFFFAOYSA-N 429.571 0.747 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 757588715 BTNKDUOZUMBOEN-XKQJLSEDSA-N 426.477 0.982 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnccn1 758557960 LEBBEBIZDMSADU-CYBMUJFWSA-N 437.503 0.579 30 20 ICED CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 763155358 RNEXZGBLAVGKAF-MNDSLLDVSA-N 447.521 0.996 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763460337 HDSOIMQOTOTDNF-UHFFFAOYSA-N 432.571 0.363 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(S(=O)(=O)CC3(C#N)CC3)C2)CC1 766069313 KDQGXRSCVWUKNE-UHFFFAOYSA-N 448.567 0.187 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O 767637372 NUPVVCSXQTZQMU-CZUORRHYSA-N 431.474 0.697 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)n1 769106976 UQLJAFUZRZTHJC-ZCXUNETKSA-N 429.481 0.623 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Cl)c(Br)c2)c(=O)n(C)c1=O 776188123 VOAAHNMUYWMGEP-UHFFFAOYSA-N 435.687 0.812 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc2cccnc12 783956218 YYMUNJBWPQTWRK-UHFFFAOYSA-N 439.522 0.342 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cn1 799265992 VBQYNBAIJJCWEU-UHFFFAOYSA-N 449.393 0.995 30 20 ICED CN(CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 804181208 HBBABZUJPGQHSI-QGZVFWFLSA-N 443.504 0.758 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 806709448 YOSTVTDSMCHBMY-QZTJIDSGSA-N 442.472 0.208 30 20 ICED CS(=O)(=O)NCCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 913496494 IINOQOSVVOYFOV-UHFFFAOYSA-N 430.552 0.341 30 20 ICED CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918285729 NTOOOTOHNXRVGH-FXBPSFAMSA-N 435.506 0.129 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(F)c2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 1343033345 XLMCIGYRIREECF-CYBMUJFWSA-N 446.501 0.924 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1507779172 LAAZYRRNWGEXKP-MNOVXSKESA-N 448.347 0.011 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1COCCO1 1510161438 XRPDYEJIJXIQGA-RHSMWYFYSA-N 434.522 0.812 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1541801448 WSHCIJQZYXSXNO-DJJJIMSYSA-N 433.490 0.962 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1 1643822740 VWNNSQKJGZOQRK-UHFFFAOYSA-N 433.534 0.211 30 20 ICED COc1ccc(NC(=O)Cn2cc(C#N)ccc2=O)cc1S(=O)(=O)N1CCOCC1 1652033615 VHBULCSYNMHPFI-UHFFFAOYSA-N 432.458 0.388 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1750385424 MVIJGOGBOJMNBV-HNNXBMFYSA-N 432.506 0.943 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750387713 ZHNOGESQWVDYDN-KFWWJZLASA-N 430.431 0.774 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1760697786 WNUWRFKVWDVEOG-MGPUTAFESA-N 443.533 0.662 30 20 ICED CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1766266797 HRFSRZKMDKZIAO-UWJYYQICSA-N 431.541 0.633 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1767707673 LDFSOHKTAYJANG-MRXNPFEDSA-N 432.506 0.203 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1770325626 PGOUFHLFTGCQMS-PXNSSMCTSA-N 447.517 0.503 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777965568 DTKHLVDXHQJILM-DZKDUJFISA-N 434.562 0.565 30 20 ICED C=C(Oc1ccccc1O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778087610 KAXVDIOXHKLABU-XMSQKQJNSA-N 428.441 0.887 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779102025 AMLCMPKYLFDSRB-UGYDVAPCSA-N 442.476 0.702 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779322621 IBFZLXLGXQXPII-KXCPTRETSA-N 447.536 0.920 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420981 BYFKTZFWWLXEID-PEKAXALASA-N 445.538 0.074 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1780191444 BOGDGRGUWKRKHB-YWZLYKJASA-N 434.880 0.718 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c(Cl)c1 1781967445 CMNGEZOANUHRJM-JXFKEZNVSA-N 433.896 0.248 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC[C@H]1CNc3ccccc3C1)CCO2 1783562095 BQMJMLBPBJXCFZ-HXOBKFHXSA-N 425.485 0.969 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1784539369 MHNKLNDJGGUEPE-JZXMRFPWSA-N 428.489 0.537 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701108 OEGHGXFOVBQSFQ-QAETUUGQSA-N 438.525 0.546 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sc4nccnc4c3N)[C@H]2C1 1786951174 XAOPILRBHGYATJ-AJNGGQMLSA-N 443.529 0.905 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080139 ICFBKPUSSFAQAO-XEZPLFJOSA-N 435.444 0.078 30 20 ICED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n(C)n1 1788944817 ZTXVSPMSMGFCET-IEZWGBDMSA-N 430.553 0.858 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790667643 STSWEBBTOPELCC-HVAMYJMISA-N 426.517 0.515 30 20 ICED 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)C1 1792896118 FKWOVIGOCDNKBW-DPTOJEBYSA-N 435.521 0.264 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793354600 DIRWKNJXALEJEX-SCNOPHJPSA-N 437.518 0.279 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793383221 QQFKIYOPAQLRJS-JGTCGTHISA-N 431.518 0.247 30 20 ICED CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1794295159 GQWUMJOAJRBUCL-MDUKNCKQSA-N 445.520 0.880 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c1 1794357750 PPWNKVXJSOCJKL-OPMZPASUSA-N 436.468 0.793 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794567279 DNKSIDKAYDABMW-FZKCQIBNSA-N 448.524 0.488 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCc1ccccc1)C2 1795083993 RJZHCXRDTJWYLK-JHDGKUDLSA-N 445.516 0.740 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C1CC1 1796705238 FXDDVUNOFNZUOA-QDMKHBRRSA-N 432.550 0.901 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1797811716 TUEQLPZWDSXEOJ-CVNGWDAJSA-N 442.476 0.462 30 20 ICED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n[nH]1 1797856514 KKFMVZMSQDFHQG-YVWYUNDQSA-N 433.472 0.912 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(Br)cc(F)cn2n1 1800126119 MUZQETYPQALGDJ-WDAIWFPHSA-N 436.241 0.467 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)ccn2C)[C@@H]1c1cccnc1 1802488752 ZSBJNBFNNRDSTQ-AWWPTUBISA-N 449.511 0.958 30 20 ICED C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1808370094 YZMHJFYIIGBCID-FBBABVLZSA-N 426.517 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1808454698 LBNPKYLAGLGEQP-XLIONFOSSA-N 426.477 0.889 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)N(C)C)n[nH]1 1814559792 WGLKGEWWDWXQIU-WHLNPGIBSA-N 431.497 0.531 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393473 ZCPSMBVFJJAUJR-USGZRQEGSA-N 432.529 0.466 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828881807 HUAKJJDTRKQVES-IRXDYDNUSA-N 445.497 0.904 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)CC2)c1 1828969234 PPPDKHHAYOSBDI-TZIWHRDSSA-N 429.521 0.770 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1829632650 XQRMPZNNNBSVID-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829706202 RBKUMYOAHYSYHC-FXAWDEMLSA-N 427.567 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1829769471 UNRAFGYGXVQNKG-KSEXMQBYSA-N 444.532 0.570 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1830057637 IDUVNWFIHYHUEM-QFIPXVFZSA-N 440.456 0.441 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1C(=O)O 1831209003 FVJQLLIKFXVRSJ-JOCHJYFZSA-N 444.488 0.646 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)cn3)CC2)CC1 1833076100 VHAAIHITZGIABQ-PLNGDYQASA-N 442.564 0.622 30 20 ICED COc1ccc([C@@H](O)C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1833183916 UTQSPOAQWQUTJR-JOCHJYFZSA-N 443.500 0.388 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833314756 LFNSEXWFZCHKGD-QVKFZJNVSA-N 447.492 0.051 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1834161053 CCWMUSXYFJDJOI-ZISMNVMJSA-N 449.508 0.328 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593963 KSSCGHLNDXKXIL-XZCAYTCKSA-N 449.460 0.239 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835071068 ZSNOMUJNGMXVLR-UHFFFAOYSA-N 435.550 0.992 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100200 GFVLUWNXXRZAAI-XXBNENTESA-N 437.500 0.422 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)C2)CC1 1835342064 JDWHSASLTXVNIL-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn4cccnc4n3)CC2)CC1 1835545712 SABLSGYJVOLSPA-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768028 IUESJGBTKGIZOF-VUISEMPFSA-N 437.541 0.222 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169555 VSKOQKAWIKFGKJ-HNNXBMFYSA-N 426.521 0.762 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837274724 PRLRTHWCESEGDW-OAQYLSRUSA-N 434.541 0.768 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1837394525 CIVNBCNZQXDCNP-HTAPYJJXSA-N 433.505 0.733 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837441982 KHEUSNSTIZFFSD-DZQSVEARSA-N 443.548 0.942 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837443257 ASTLLSJANQWPIX-SGCYSOCQSA-N 445.520 0.632 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524320 FICOESNJTACRBG-QRIYWZMZSA-N 435.481 0.019 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccc(C)c34)CCO2)C1 1839610536 QEAPEKHMDPUDLT-FDDCHVKYSA-N 440.500 0.751 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc1 1839866676 IHRXTCTXTYKVAA-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1840162141 NKSKKLGQSXNDAJ-BBATYDOGSA-N 439.925 1.000 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840166406 GZQDVJVYSCDQNZ-INIZCTEOSA-N 438.374 0.602 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840532041 FLXHGKLQJXOVIJ-REWPJTCUSA-N 427.501 0.984 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840609052 MADOQVFFNHSNCI-TYYYZTEESA-N 429.448 0.660 30 20 ICED CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820646 CINQZFMFOWWCSR-QFIPXVFZSA-N 431.489 0.820 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840842925 KABMBZRXWPULDW-GOSISDBHSA-N 428.411 0.922 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413927 INPAGZRYFOYYOH-UHFFFAOYSA-N 437.562 0.314 30 20 ICED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccccc1 1844337451 XMUBHSYWWRPWSS-GOSISDBHSA-N 425.485 0.930 30 20 ICED CCOC(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 15544478 YXEZZEALEDJCDI-UHFFFAOYSA-N 448.545 0.666 30 20 ICED CC[C@@H](C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 29194059 QDNPEGLVJUJMHY-BEFAXECRSA-N 436.534 0.568 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 428804974 MMVCWJIZJNMOHB-HOTGVXAUSA-N 425.580 0.423 30 20 ICED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 436122016 BUYGJNFAUIEDRE-IBGZPJMESA-N 428.514 0.897 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)cc1 442326497 QWBWUMIKFDVTJF-UHFFFAOYSA-N 431.474 0.242 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443476054 MRLDZYZZRFTVGI-UHFFFAOYSA-N 443.323 0.678 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCO2)n1 460717610 PWVYWYZHGFOGIK-KRWDZBQOSA-N 435.448 0.213 30 20 ICED Cc1cc(NC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)nn1CCC#N 469922474 ARJSMJKPYFZIHP-SFHVURJKSA-N 427.513 1.448 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480177327 BUFSAYVIBNOQAF-UHFFFAOYSA-N 442.497 0.980 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 480949439 CKOHFJFPFBHLBS-UHFFFAOYSA-N 437.437 0.636 30 20 ICED COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1-n1cnnn1 482386418 AEUKIXSIIFVLTJ-GFCCVEGCSA-N 427.446 0.848 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 486708396 FVLOGTFLFCVTMD-DOTOQJQBSA-N 431.424 0.758 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1-n1cnnn1 488667466 QLTXWMWDANJQJJ-SFHVURJKSA-N 444.455 0.698 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)CN1CCOCC1 499058056 RQQCYGVNIHJXKH-QGZVFWFLSA-N 425.283 0.459 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 507767810 AIPYKWNYSSYAEH-UHFFFAOYSA-N 431.493 0.844 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(C)(C)CN(C)C 512765910 DJAYBIYCOFFHOM-UHFFFAOYSA-N 444.605 0.743 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cn1 514743198 UUHZLEFYWSYYPA-KBXCAEBGSA-N 429.502 0.950 30 20 ICED CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 523080233 AWAZPQXUAPEWEX-UHFFFAOYSA-N 443.485 0.211 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CC(N)=O)c1=O 533120412 FRFKITNOIIEOHS-UHFFFAOYSA-N 441.900 0.651 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 534121255 VSCKRNLFXQCCQS-UHFFFAOYSA-N 426.468 0.862 30 20 ICED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 553397044 LODDXVOVOWDWMS-GOSISDBHSA-N 436.516 0.592 30 20 ICED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 556577574 CWZKIEIITRYYKT-UHFFFAOYSA-N 441.513 0.463 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 580629248 LPSVBLYSYZDJTL-KGLIPLIRSA-N 440.460 0.486 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc1 587647179 FZHFFVLGOAZNHK-UHFFFAOYSA-N 444.499 0.654 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 590047039 BQDBFXMYZKBTBG-UHFFFAOYSA-N 444.517 0.275 30 20 ICED CCN(CCC#N)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 603895732 MRAILTIODHMBCH-UHFFFAOYSA-N 426.451 0.757 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)c1ccccc1Br)c(=O)n2C 609593813 JOXRGJALOCUNIT-LBPRGKRZSA-N 431.250 0.577 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)cc1 674476410 WOGCTKFUUPOCNH-UHFFFAOYSA-N 448.545 0.933 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2csc3ccccc23)c1=O 727163772 IFQGXEBECYIIQF-UHFFFAOYSA-N 430.536 0.700 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 728531957 NVPFRKQRYPFHOG-NRFANRHFSA-N 433.512 0.316 30 20 ICED N#CCOc1ccc(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 732095723 XBNFREDLWKCTIW-LJQANCHMSA-N 435.546 0.869 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(C3CC3)c2=O)cn1 732562781 JPYLLRMWSCWXJK-UHFFFAOYSA-N 429.546 0.895 30 20 ICED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732911168 ZEGMSMIZHDWWLX-DOTOQJQBSA-N 435.477 0.644 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 746240081 URUJNKZQSIZJMP-XDOYNYLZSA-N 443.479 0.616 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 748228575 XAVODMSYAAFMRP-UHFFFAOYSA-N 438.412 0.854 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 749313091 JYTQLWVFTVMDLN-GFCCVEGCSA-N 430.508 0.468 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CCOC 751554284 LIBYMGFYYHQKSA-UHFFFAOYSA-N 445.541 0.911 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)cc1 754452924 DYXAEEPPKCQLEI-JMQGSBJISA-N 434.543 0.760 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761225184 DLCQUBCODVOTDZ-CYBMUJFWSA-N 442.449 0.935 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)oc3C)c(=O)n2CCOC)CC1 767955333 KBROUEXJVFPSIV-UHFFFAOYSA-N 444.557 0.433 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1ccnc(C#N)c1 771622144 QHKOTSAGANHRNP-QGZVFWFLSA-N 437.499 0.778 30 20 ICED COc1cc(N2C[C@H](C(=O)NS(=O)(=O)CCCC#N)CC2=O)cc(OC)c1OC 776115922 ZCCHBPAUBLUDNO-GFCCVEGCSA-N 425.463 0.815 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)[C@@H]1CCS(=O)(=O)C1 783481361 XARRWMASVMQVBI-QGZVFWFLSA-N 431.514 0.963 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 808404892 QSCRJSREIGVJIZ-UHFFFAOYSA-N 433.513 0.818 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(CC)c3)c(=O)n2C2CCC2)CC1 814251376 HIRUOMSXKGKONJ-UHFFFAOYSA-N 440.573 0.518 30 20 ICED CS(=O)(=O)NC1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 861079534 MXCVGUCWFLTLJN-UHFFFAOYSA-N 428.536 0.093 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCOC 916200525 DTGSRFFXVQUFII-UHFFFAOYSA-N 435.452 0.963 30 20 ICED COc1ccc(CC(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916867008 RGDPKUJMEAHKPN-MRXNPFEDSA-N 435.502 0.590 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1=O 917478246 MHHALUNAMUYZOP-UHFFFAOYSA-N 443.479 0.407 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(N)=O)CCOCC1 918098700 FGXVOYQPTQHPFP-OAHLLOKOSA-N 436.534 0.538 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 920726974 PTTRSGAYVZPXNM-UHFFFAOYSA-N 426.491 0.664 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCc1ccccn1 1116373391 DRBPVXWTXOZSTB-UHFFFAOYSA-N 438.484 0.944 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 1228587727 UGOBYSMHCOPHSW-UHFFFAOYSA-N 438.510 0.062 30 20 ICED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1292227139 ZHUMEQYFEBKHJZ-CVEARBPZSA-N 426.543 0.776 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1300831191 SQWIAIGYIJCHFQ-VXGBXAGGSA-N 449.375 0.854 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1301806719 REARYTZREPKKRE-UHFFFAOYSA-N 426.525 0.871 30 20 ICED CCN1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1313875583 AOFFSWQTWHNRSO-NVXWUHKLSA-N 439.586 0.739 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1316360283 SKFQHFYCAQLVPW-OAHLLOKOSA-N 431.478 0.007 30 20 ICED C=CC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1320264322 BFLUSIVHGWIBBL-UGSOOPFHSA-N 425.463 0.536 30 20 ICED COC(=O)C1(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCS(=O)(=O)CC1 1321381562 GHNPNFOOSNZSRB-UHFFFAOYSA-N 435.502 0.950 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1323257151 MHDBVKUTQUHEHI-UHFFFAOYSA-N 447.517 0.637 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCCOC3(C#N)CCOCC3)cnc21 1345758179 AIOZEQDGXSWBJL-UHFFFAOYSA-N 440.254 0.525 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509784295 HLFKPDARDCZHDR-RDJZCZTQSA-N 437.570 0.286 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1555987921 UEOLAVOLXQYVSI-FQEVSTJZSA-N 431.518 0.575 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1612878140 PWOWOEZKMPZLKY-HNNXBMFYSA-N 443.533 0.519 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705747513 OEHYNGDWYZZKSM-JKSUJKDBSA-N 446.021 0.857 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCO1 1706050348 RKUUEAUULGKTHR-GHTZIAJQSA-N 426.477 0.309 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1728257971 LGDUFCJDVPBZNM-UHFFFAOYSA-N 425.493 0.766 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC2(O)CCOCC2)cc1 1731183918 YRQWJBXGQWOFMR-QGZVFWFLSA-N 440.504 0.972 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CCO1 1769260175 XPXNZEBJOHMQAU-QGZVFWFLSA-N 426.477 0.716 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778473889 AEBXUDBGUPQCFB-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779084056 GZDQJCAHPGZKJD-RBBKRZOGSA-N 447.919 0.172 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300000 GZYBMIDLXGWSMR-WIYYLYMNSA-N 448.451 0.134 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781337687 UQKOJMYGEPCIPA-VGSWGCGISA-N 435.521 0.505 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1781689230 SZPHCBWSJHVLIY-OIMFZILRSA-N 449.548 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195347 YYFSCLXUNCSFNQ-IYZQMXKPSA-N 448.483 0.736 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783577154 PNZQDCYIAYCWCM-QVKFZJNVSA-N 435.477 0.304 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C)COC3)[C@H]2C1 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O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804092977 XWFBSXJGIGNTAD-AUSIDOKSSA-N 445.479 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(=O)n2C)[C@@H]1c1cccnc1 1805307189 VPYRLWDSOQLTIW-WLJPSVCKSA-N 449.511 0.958 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CCC#N)[C@@H]2c2cccnc2)CC1 1809668735 XDSIBIKFCDMFNR-SIKLNZKXSA-N 426.521 0.555 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810091398 WFQIFDJUJMPQGL-NWGLXNPWSA-N 434.493 0.743 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812648181 HSRWUKMZKBPSMO-ATZDWAIDSA-N 428.537 0.894 30 20 ICED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816669213 ZHUSKNSBFWMMNP-QMMMGPOBSA-N 427.450 0.045 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1817316069 YANCYLPDTCJQPZ-DZGCQCFKSA-N 432.529 0.276 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4nccnc4C(N)=O)sc3C2)CCC1 1821041572 BXRXOEYKUPYVMW-JTQLQIEISA-N 425.474 0.952 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)CC1 1823835666 XZJQVTFLMBIWEF-FAPWYTRCSA-N 430.549 0.991 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)N1 1828913986 RMKJPGODJBBQQS-MUPDODCCSA-N 446.552 0.676 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628892 YRKPKONGOSNDCV-UZUQRXQVSA-N 442.516 0.459 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1829771246 NGBHVOXQTRWYKI-LXHZQTKUSA-N 447.463 0.460 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1830057298 AGUGMEQJMSYNSN-SIKLNZKXSA-N 442.472 0.727 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830720039 RGFMTARKIQGFBV-YVHKJVDXSA-N 433.505 0.726 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1831394045 SZVJTLPRTVYYMC-KKLQWCBXSA-N 429.517 0.224 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831425835 FMZQFDGVILFYQZ-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831484783 DQHDMHITNCEGJK-FXAWDEMLSA-N 438.550 0.900 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)[nH]1 1831853720 KWQGJBINIYPOIM-WGAVVDLZSA-N 435.481 0.317 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1832456213 LCTQAFWRJLTINI-HXUWFJFHSA-N 431.518 0.719 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)on1 1832569023 USTIIWOESDKSJR-IQTGRTGDSA-N 430.461 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N(C)CC)CC2)CC1 1833077216 TUJGILCMUDGHHQ-ZEVQVBBLSA-N 433.597 0.757 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833470615 AGZOZIBOIVIZBP-UHFFFAOYSA-N 449.552 0.093 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833689368 NVAMHCYFMMROAG-IBGZPJMESA-N 447.580 0.739 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c(O)n1 1833698860 OQDXEHISGIUEQD-AOMKIAJQSA-N 432.521 0.571 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833814214 YIJJILUNOLMXHG-KDGIGMFRSA-N 447.492 0.384 30 20 ICED COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835341355 YHQUANRLPDDHSQ-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1835673051 SWBVKGVHDZZLPG-HSZRJFAPSA-N 442.516 0.608 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1835677422 QWKFWGONWUKDGM-NRFANRHFSA-N 433.484 0.573 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1837397135 RLFHPRUUFOKJPI-FDDCHVKYSA-N 446.548 0.552 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837442286 VPBNFXNJXQTITI-NMWDDECMSA-N 429.521 0.552 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445233 LKFJZAVUPIFTBD-DHNIJCFSSA-N 431.537 0.875 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837488726 NRRXQEIQFKFEDH-QHCPKHFHSA-N 444.532 0.497 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561345 HTJLFIROTYYSTO-FFCJBUTOSA-N 443.460 0.267 30 20 ICED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1838591951 VNCXBCWCOVEMAP-RXVVDRJESA-N 426.517 0.893 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838762525 IWTXWGVCFNLLPR-SJCJKPOMSA-N 447.414 0.485 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1838908534 FZYHSIFNHOGBAJ-QHCPKHFHSA-N 440.500 0.641 30 20 ICED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131268 UYIHQEDUEVXJIH-DENIHFKCSA-N 431.489 0.337 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839539666 UXVSIAKCCSEEES-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839718870 SAWWZRREVRQWTI-NRFANRHFSA-N 446.460 0.016 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839774771 QLTPUHFUIHKTIT-HNAYVOBHSA-N 428.551 0.694 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1)c1ccc(O)cc1 1840220184 BMGTYVBCTNZPHF-WCAVRKLYSA-N 430.501 0.726 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840360638 KJNJWFWNUIYGKQ-FYINFDKHSA-N 436.578 0.925 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840819004 JRBOCTXOAUGGCB-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C)C2)C1 1840908821 IBOVYTBYMFYYFX-GFINEQOMSA-N 435.521 0.936 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc3ccccc3n(C)c2=O)C1 1843742805 GZKBPDYYYULBQC-KTKRTIGZSA-N 435.484 0.609 30 20 ICED CN1N=C(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)CCC1=O 17734579 AYKKTUGBEVSLNB-UHFFFAOYSA-N 435.462 0.247 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)CC1 438328955 DLXORHOLAGIQMN-UHFFFAOYSA-N 431.522 1.055 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)CC2)o1 440483705 DTTFMXRKRIQLMW-HNNXBMFYSA-N 440.464 0.993 30 20 ICED Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C#N 442122639 XUSRWVFBFAJOFB-UHFFFAOYSA-N 430.490 0.508 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 442330935 WWDSYLYXIXNAGV-UHFFFAOYSA-N 446.460 0.973 30 20 ICED CN(Cc1nc(Cn2nc3ccccn3c2=O)no1)S(=O)(=O)c1ccc(C#N)cc1 445658154 UWUICWWHPVXUDP-UHFFFAOYSA-N 425.430 0.620 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(Cc2ccccn2)n1 446800115 BONHGBCPQOBTFP-MRXNPFEDSA-N 445.487 0.972 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 460713138 FPXJYTNPBGUCCD-INIZCTEOSA-N 435.488 1.436 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 467237768 ZICYFKCHNXUJIZ-MRXNPFEDSA-N 438.444 0.719 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472155010 LNSDXSBCLNBEMX-UHFFFAOYSA-N 447.521 0.017 30 20 ICED COCc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 474386987 ZBQVIUPIJOOXGK-UHFFFAOYSA-N 436.519 0.448 30 20 ICED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)c(O)c1 474576101 GRXGTLSTYGOPQV-SGTLLEGYSA-N 447.469 0.970 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)n1 479373731 VGFJITNMWIBPPJ-UHFFFAOYSA-N 428.514 0.331 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 505831379 HOKAXQYYVGBNON-GZRFBZBPSA-N 434.518 0.906 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)n1 515084433 KOSSCCZHTOKUIG-RTBURBONSA-N 449.515 0.268 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cc1 517990308 WELPTDMDZKJONE-UHFFFAOYSA-N 438.553 0.967 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccccn3)c2=O)cn1 522384144 KNEDSEAZBWIDLB-UHFFFAOYSA-N 446.492 0.923 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 522728643 NCVIGILUTDNFGZ-UHFFFAOYSA-N 426.498 0.921 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2cccc(Br)c2)C1=O 523027122 WJMPMZNLVODGFN-UHFFFAOYSA-N 437.250 0.272 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(C(N)=O)cc1 531131656 SEYWQBFBPILBKS-UHFFFAOYSA-N 435.490 0.180 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c1C 534937501 OMQNQKFWRFDPKA-UHFFFAOYSA-N 437.504 0.580 30 20 ICED CNC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 543847820 IURCQRMMUMDTOZ-KXBFYZLASA-N 429.521 0.803 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)CCO1 550513855 GAFSHHBADQIYIU-QGZVFWFLSA-N 449.515 0.538 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2)c(F)c1 552894908 SFQNQUOOHDRKFM-WDYCEAGBSA-N 436.509 0.138 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 555428319 RYMOZIAFDBMJFW-HNNXBMFYSA-N 430.530 0.661 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 555782568 SLHJUHMBNLJULL-IBGZPJMESA-N 439.520 0.444 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1CCO 570763413 MWIBBIFXKGMJAP-BVYCBKJFSA-N 434.585 0.464 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 583105896 BRANACQGFJDUSW-AWEZNQCLSA-N 438.410 0.271 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)nc1 588159658 AXKWIIXEGUJRTI-KRWDZBQOSA-N 447.499 0.096 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 603784646 FKEGDNXYKVPANY-NRFANRHFSA-N 440.525 0.844 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 604269871 GVRUUNYAYKPULE-UHFFFAOYSA-N 432.933 0.681 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 607721949 NEWPIGGHSUFDLH-LJQANCHMSA-N 426.539 0.698 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 610702858 VQQGMAPUNVMYFA-OAHLLOKOSA-N 428.518 0.926 30 20 ICED N#C[C@@]1(F)CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 615528515 URBGTVZXNZHWJT-KRWDZBQOSA-N 427.458 0.647 30 20 ICED CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402473 RKUVIVJQAZVBQN-INIZCTEOSA-N 431.518 0.912 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)n1 726643763 USMIPNUSIBSPSU-GFCCVEGCSA-N 425.492 0.582 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccs3)c2=O)cn1 727814622 JXVLWADEIDUHQV-UHFFFAOYSA-N 425.539 0.729 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732780691 MBLXCDXYHMQFNT-INIZCTEOSA-N 433.578 0.790 30 20 ICED CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 741451716 UVOXYEKHVBWUBI-INIZCTEOSA-N 446.507 0.981 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(CC)cc3)CC2)CC1 748818811 ZEQBWQSMYDRRNJ-HXUWFJFHSA-N 426.561 0.938 30 20 ICED CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 749690782 JQURWZWDZNHGOW-ADSWHHSESA-N 449.533 0.563 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)cn3C)C2=O)cc1 751733926 KCNOJXSWSFQDCE-HXUWFJFHSA-N 425.401 0.561 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 751818210 UWTYFGJQHVBACQ-UHFFFAOYSA-N 433.440 0.831 30 20 ICED C[C@H](OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N(C)CCC#N 754604531 HLJYQPUUXMVHQR-WMLDXEAASA-N 427.461 0.840 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 755538597 SPQCEBMQUGRTKZ-ABAIWWIYSA-N 444.427 0.615 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(N4CCCC4)nc3)c2=O)cn1 758589393 QHZAQEDHQLTUPY-UHFFFAOYSA-N 449.540 0.360 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC1 761039673 XWSAIDKRLPPWAF-UHFFFAOYSA-N 448.501 0.947 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 766245421 DMGDYHOMKHLEGS-IHPCNDPISA-N 434.562 0.406 30 20 ICED CSCCNC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 769602688 PCEQNPSIUTUFDE-UHFFFAOYSA-N 438.622 0.963 30 20 ICED C=CCOc1cccnc1C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 775245844 QABLTZAMLSOERP-UHFFFAOYSA-N 427.461 0.355 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)c2ccccc2C1 775980819 VNVMTUCRMPFHSH-UHFFFAOYSA-N 433.511 0.931 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(C)nn(C)c3-n3cccn3)CC2)o1 778480150 YBHLHBVMLHKEMT-UHFFFAOYSA-N 438.448 0.588 30 20 ICED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)c1cccc(C#N)c1 780301137 HNVRSQGELJFPOU-UHFFFAOYSA-N 432.483 0.958 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 783348147 XVCWEYURPYZPGA-UHFFFAOYSA-N 443.547 0.517 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786413974 WKHMFXXEHVJFST-UHFFFAOYSA-N 432.481 0.238 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3occc3c2)c1=O 795187016 JYFOGPIVZMOVSN-AWEZNQCLSA-N 441.509 0.957 30 20 ICED C[C@@H](C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798845567 MZFJTXKCXDTPLG-AWEZNQCLSA-N 446.489 0.468 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 810777067 UQEQSKBJVJCUAG-UHFFFAOYSA-N 426.516 0.759 30 20 ICED Cc1nccnc1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815853899 FZTLOFUMGLNKGX-BWAHOGKJSA-N 444.517 0.895 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 838247529 VLUODKWWMHKILQ-ZDUSSCGKSA-N 449.504 0.358 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc(OC)c2)c1=O 916198228 HBOCBJKJXJJSMZ-UHFFFAOYSA-N 439.493 0.977 30 20 ICED CCS(=O)(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916711517 OPSAVQQGIXKWET-HMMYKYKNSA-N 431.540 0.560 30 20 ICED CNC(=O)COc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918353835 MBEBKZCPCUIOBB-UHFFFAOYSA-N 430.486 0.556 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 919417153 NHHHNFBNBSSZNQ-HNNXBMFYSA-N 432.458 0.984 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1291372772 GMQOYWYPBZHVLH-LPHOPBHVSA-N 440.570 0.902 30 20 ICED C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCC(F)(F)F 1318476496 XXAKKBHRGDNIPT-GWCFXTLKSA-N 425.367 0.946 30 20 ICED Cn1c(S)nnc1CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1347747691 ZKSUKXAMGSHJDU-CQSZACIVSA-N 427.490 0.929 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCOCC1 1616914093 OWNSKPSIVYPEIH-UHFFFAOYSA-N 427.509 0.949 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1692663987 NISUUGGWBBCLQV-OAFZBRQQSA-N 440.570 0.900 30 20 ICED COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1697755838 MMEPQHFCLRATMQ-RTBURBONSA-N 428.493 0.819 30 20 ICED CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1743868265 KILCDODVVDMYHW-IXDOHACOSA-N 441.602 0.937 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CCO1 1770749181 VASCJHFZBLQZIN-VXGBXAGGSA-N 439.448 0.685 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863826 DXFFVMLCCCRBPC-HJPURHCSSA-N 442.516 0.912 30 20 ICED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(OC)c1 1780308884 GSQAKVMQIPXDIW-XMSQKQJNSA-N 430.457 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)nn3C(F)F)C2)C1 1780309938 IUEASLOIEVJKJL-FBQMEGEOSA-N 437.447 0.889 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416950 MSGZPKSVTZTBAI-ZMNJEPIRSA-N 435.437 0.895 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781107845 DGUTWSPFHPJAKD-GHTZIAJQSA-N 435.569 0.397 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cnnn1 1782604265 ZPTCOMCIIMOZAC-PDFMVGRJSA-N 449.512 0.277 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c1 1784280115 LUHPNPAKNNXGSA-WDSOQIARSA-N 426.473 0.912 30 20 ICED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784529218 JLBYABNKJUPFBK-JIEXOSGJSA-N 438.525 0.410 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c(C4CC4)c3F)[C@H]2C1 1785764117 NQKHYIPSGOXRCH-FCLICNRPSA-N 445.495 0.878 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1786367133 BRADHHLVZGPXDY-BPUTZDHNSA-N 426.433 0.185 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559213 OIYXBXXPLFYMPF-GTAWCEEGSA-N 432.542 0.699 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccnc1 1788652353 BVJYYVKHQCLTDI-RWLWZCNISA-N 433.509 0.953 30 20 ICED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)c1ccccc1 1788708216 QAARFLGRTVYXDO-MUGJNUQGSA-N 425.533 0.646 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1789890811 SDTSLDWQWUQNCO-ZOBUZTSGSA-N 434.493 0.531 30 20 ICED C#CC(=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 1790789276 YLJMSMHFHJDNRN-TXTZMMAHSA-N 435.521 0.217 30 20 ICED CC[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 1791079372 MMPBIHCYCLQALJ-VGWMRTNUSA-N 437.493 0.357 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CCC5)[C@H]4C3)CC2)CC1 1792141080 DOOPVNYXASLGRG-FHWLQOOXSA-N 429.565 0.440 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1792172037 KJQIVDMHDNHRAJ-BJLQDIEVSA-N 426.517 0.925 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792586562 SUFAEMPKIQEGPC-PZTGFMGMSA-N 426.473 0.053 30 20 ICED C=CC[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 1792889032 LBHAFMZJJRFINB-KSWRQPAISA-N 425.526 0.674 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)C2 1793346320 LJHTXFWWJXGRIF-BKEDOTJMSA-N 431.445 0.850 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797739842 IGXXRQGKQTYLCL-DTMXUOIHSA-N 434.537 0.637 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797744129 PHYYOBCRRCLPPP-CODYHLQSSA-N 428.533 0.651 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1ccccc1=O 1797933518 JMXBQGBWDXUIQI-DHDLKNTASA-N 446.504 0.528 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1798594602 GMKRWLLSVIVIPZ-ALXJQNPVSA-N 439.472 0.848 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325948 BMIWUXAEADHYFG-HPNQWNLUSA-N 428.464 0.450 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884377 UGZATBDHAGYJHD-JNNRSPCRSA-N 448.487 0.566 30 20 ICED 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)CC1)C2 1800806242 QETFMRCTJODXCK-BPKGMFCQSA-N 448.520 0.250 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCC)C2 1802127002 OVMWUBQALOEHAT-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1810357895 VLGDCEQGUPGDGX-XAIDVAGASA-N 441.492 0.908 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819559960 KLMBEFCJQIXKSE-NSHDSACASA-N 447.521 0.898 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674574 JGRSGBKALUEZEP-GFCCVEGCSA-N 438.469 0.882 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829715103 MUNBQUDFOSSFAA-FXAWDEMLSA-N 442.582 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC)cc3)C2)C1 1829765560 ZNHOVTCLXFOHJE-UFTUAFODSA-N 442.516 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3F)C2)C1 1829768601 BTJIHUVEVJNITB-QJKPHDSHSA-N 449.454 0.893 30 20 ICED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1830481173 JPGDKQIZMNENNV-QHCPKHFHSA-N 445.516 0.992 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655807 YOHUCLMBKWWJMQ-WZONZLPQSA-N 440.500 0.372 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831424052 BLUCPYYNVLYAJR-VFNWGFHPSA-N 437.468 0.890 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831486295 BCBOKULSOIBFGX-XLIONFOSSA-N 433.534 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2 1831519219 XZMUGZJOYRWCDR-KLHJMIIUSA-N 426.510 0.359 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166311 CKBZFUIDENQGPB-VIZCCBKPSA-N 447.492 0.005 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833315600 WEYQVYRMLJVRGD-HSZRJFAPSA-N 449.467 0.436 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1833475775 XRPNASJTWQWWIA-SJORKVTESA-N 437.585 0.857 30 20 ICED Cc1ncccc1CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833749288 OTKHDSBZGLKSLF-UHFFFAOYSA-N 426.517 0.982 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1835682183 AVQZCPKGXCEUIN-SPEDKVCISA-N 436.553 0.276 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2)C(F)(F)F 1837019775 MRZFQPMZQYUPCM-GOSISDBHSA-N 439.394 0.918 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441268 YWVQFNUCDRIYGG-JKJLQIMHSA-N 443.548 0.861 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cnc3Cl)CCO2)C1 1837851608 ITRKXSBASXIFFN-JLTOFOAXSA-N 439.871 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838514322 AOKUZWWYHBDAPZ-PGRDOPGGSA-N 435.521 0.804 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1838950853 JMMNJXDOUYPHDD-LJQANCHMSA-N 437.399 0.738 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839224101 DVYYJGWSVZYOFW-RDTXWAMCSA-N 429.543 0.260 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450745 GEPQALBTUBAZIR-HSZRJFAPSA-N 442.516 0.851 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839491680 VSVOHVLXMBZBKD-KSFYIVLOSA-N 426.473 0.671 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839875901 ZQJYGOKWPZKIGJ-OPAMFIHVSA-N 428.489 0.082 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)o1 1840041254 AHFPYGAIJXPXDX-SFHVURJKSA-N 444.362 0.765 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840842899 IFXGQRAOVPHFNX-NRFANRHFSA-N 445.428 0.807 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301458 OYPIHPKEXJNDOX-RSMKWKGQSA-N 439.465 0.214 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)c1 24490905 WVJGHTNXFQMEKM-LBPRGKRZSA-N 437.474 0.826 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 409556057 MUCOLJYOCIMECD-QGZVFWFLSA-N 445.563 0.791 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 430386230 KPFSGJXYNVRBAQ-BMFZPTHFSA-N 430.465 0.467 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 430414416 MTSSBSUVIAXVGB-LQPXBXSXSA-N 434.581 0.923 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)c1cccs1 437494252 VENHEAUZTDKUPI-LBPRGKRZSA-N 442.544 0.381 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 445175101 SLYTWKWIMJJXRL-QZTJIDSGSA-N 429.473 0.964 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 465413325 DMBGQTVCMJJIPZ-ZDUSSCGKSA-N 434.460 0.214 30 20 ICED C=CC[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 466380371 NHRUMSSWXSXVAU-AWEZNQCLSA-N 430.552 0.705 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1 467546488 ADJVXUWHAJPAPQ-CQSZACIVSA-N 443.525 0.662 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 470713570 HDEUACFYMFXUOG-HNNXBMFYSA-N 434.399 0.549 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)C2)n1 471885245 NVLSWIFQVLQJAY-NVXWUHKLSA-N 433.534 0.240 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2=O)cc1 488252761 KGVZJTVEDDGEHN-IBGZPJMESA-N 447.499 0.685 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 503791455 MKUWYMCAYWQBCX-UHFFFAOYSA-N 427.486 0.873 30 20 ICED CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccc(Cl)cc21 508324056 HUKDPWRHTZARNY-GFCCVEGCSA-N 429.868 0.528 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508939277 RXUHWVBKMOZBNV-INIZCTEOSA-N 439.586 0.209 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1C 511785202 MTCIGEROWAWYIX-UHFFFAOYSA-N 430.534 0.613 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1 513980392 SLGDVOSHLKKKTJ-QKKBWIMNSA-N 449.496 0.911 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 532011829 DXHAIEQUWUDCCJ-UHFFFAOYSA-N 440.481 0.956 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 533808148 DIXZMUVFROORJF-CYBMUJFWSA-N 428.536 0.155 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCCO1 536085640 MGAWKRZXBJASFX-QGZVFWFLSA-N 445.516 0.884 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@@H]1CCOC1 540697437 SEDXVOMWJHOQCJ-HNNXBMFYSA-N 440.525 0.464 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 546595302 UDSXKVFBMVPBRF-ROUUACIJSA-N 437.504 1.146 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 548617762 IHFWNAXAXBGKAA-LBPRGKRZSA-N 439.518 0.718 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CC2)c1=O 549549749 CSCPUFPCMFVMDM-UHFFFAOYSA-N 429.546 0.753 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2)C1=O 556325899 AZAPPSUBGBNBIL-KRWDZBQOSA-N 448.439 0.970 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 556628818 FYWQYZQFOJJWRF-UHFFFAOYSA-N 437.504 0.366 30 20 ICED C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)S(N)(=O)=O 560202656 ROSDWEWJJUMQKI-LBPRGKRZSA-N 432.506 0.773 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O 573507749 JBNFZKPOPRRWCV-UHFFFAOYSA-N 440.525 0.212 30 20 ICED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H]1Oc1ccccc1 581694107 CRKOKZGGZUSSET-QRVBRYPASA-N 440.504 0.996 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(C#N)c1 587719953 SGDTUFWSRWXHKR-QAPCUYQASA-N 434.518 0.388 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCN2CCCCC2=O)CC1 588063417 IRDVWFISJHLBSV-UHFFFAOYSA-N 428.493 0.591 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCCOCC 603986873 QSBSPAIKQDRKHZ-UHFFFAOYSA-N 441.509 0.870 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)NCCSCc2ccccc2C#N)CC1 604498999 GJWNZONDXIURFC-UHFFFAOYSA-N 425.580 0.668 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 606028099 UMYXXJBAXRSGPP-UHFFFAOYSA-N 428.493 0.355 30 20 ICED COc1cc2c(cc1S(=O)(=O)Nc1[nH]nc(N3CCOCC3)c1C#N)OCC(=O)N2 619526815 IXAZRKLLPSERHT-UHFFFAOYSA-N 434.434 0.258 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1=O 726043510 OLKXZSZLHFJVTG-GFCCVEGCSA-N 431.401 0.695 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726180130 AZXNTMYWPFVQKJ-UHFFFAOYSA-N 439.545 0.493 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 731606150 QRRNKJBPHBCWFW-ZACQAIPSSA-N 433.534 0.591 30 20 ICED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732442595 WXURRMNPBZGKEH-VHEBQXMUSA-N 449.533 0.840 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C(C3CC3)C3CC3)c2=O)cn1 734828306 QHWBZRLGXHLNFO-UHFFFAOYSA-N 441.557 0.753 30 20 ICED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC#N)CC(=O)OC)c2)CC1 737859721 GSPFXTQITANLEA-UHFFFAOYSA-N 442.925 0.805 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 741211309 GZQZWKGILBBXJG-IBGZPJMESA-N 426.517 0.198 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 747735428 TWKXPUSTHNJADW-JOCHJYFZSA-N 426.473 0.450 30 20 ICED C=CCc1cc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)cc(OC)c1OC 748827817 SFAPRZPONJSBTR-UHFFFAOYSA-N 427.523 0.894 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CC1 749667733 XBHBICRTGVJRMC-UHFFFAOYSA-N 431.884 0.306 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1 750861597 DBIHWBDFAKBWJK-UHFFFAOYSA-N 448.589 0.955 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)s1 752194870 RUAURLLWOSQEJG-UHFFFAOYSA-N 432.571 0.947 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 756226211 HGSPWKPIKVFAQD-ZBFHGGJFSA-N 438.550 0.797 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2F)c1=O 758070810 YCFHUNAEYZTYEH-UHFFFAOYSA-N 431.876 0.697 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(OC)cc2)c1=O 758083351 LJWGRWZRUZEMIL-UHFFFAOYSA-N 439.537 0.986 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1O 762553894 CKVDCPMQUXZUBO-AWEZNQCLSA-N 433.486 0.407 30 20 ICED N#Cc1cccc(OCCCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 763490796 DGVQRANKLKFIQC-SFHVURJKSA-N 427.548 0.462 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 766989307 BFLVYEOOFDGIKK-UHFFFAOYSA-N 425.426 0.970 30 20 ICED CCN1CCOC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 775015939 UGPKDGCBFUAIJB-MRXNPFEDSA-N 443.460 0.719 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776788324 NPGBFXUCLZXXEU-OAHLLOKOSA-N 429.543 0.620 30 20 ICED CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)cc1 781104237 PDYJBRMDOFDQIM-INIZCTEOSA-N 433.534 0.585 30 20 ICED CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2nnn(C)n2)C1=O 782858803 VLOHNSCYTVXQJU-HNNXBMFYSA-N 430.538 0.800 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CN(C)C(=O)c4ccccc43)CC2)o1 787098252 YRWRIYAUUKRWLJ-KRWDZBQOSA-N 437.456 0.916 30 20 ICED N#Cc1ccnc(N2CCC[C@@H](OC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)c1 791980968 WGSRNPKTICFTSM-HZPDHXFCSA-N 445.501 0.631 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 802609273 VCKSNSGMJWUNHP-PFOIOJFUSA-N 436.490 0.064 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803968044 HAJPMXPEQYANTR-UHFFFAOYSA-N 447.510 0.356 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O 805007043 LFVYRCLMOSPWDV-FQEVSTJZSA-N 445.539 0.829 30 20 ICED CN1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C2)C1 815746243 BZFQYFRILSFDEQ-MFTRDONSSA-N 447.561 0.992 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCN1C(=O)c2ccccc2C1=O 816129504 ZTCYZZFDCFEEFS-UHFFFAOYSA-N 428.382 0.958 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnn(C)c2)cc1 918434307 MIBWRNGLXQETRC-HAVVHWLPSA-N 432.506 0.530 30 20 ICED CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1291338523 VSWZFHKVPFJWIA-KRWDZBQOSA-N 445.549 0.861 30 20 ICED CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1299053744 QCCICEAXIAEBDK-KGLIPLIRSA-N 433.538 0.892 30 20 ICED CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1323574306 DZONVQFPFAZAJB-OAHLLOKOSA-N 448.501 0.978 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453949847 MFBSFMPBTAZGJX-KUHUBIRLSA-N 431.518 0.931 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1570246804 KMXLAZGABCEHDR-WMLDXEAASA-N 437.518 0.757 30 20 ICED CCNC(=O)C1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CCC1 1615927985 TZLBFMYDRXCFCH-IIBYNOLFSA-N 432.525 0.965 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(Br)c(C#N)n1)C2 1673988102 NZEUBALETWIEHD-UHFFFAOYSA-N 449.269 0.210 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1692621996 CNVIRKZQHJYWJP-UHFFFAOYSA-N 437.570 0.858 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1694780811 MZOIKQUUNPGDJK-WBVHZDCISA-N 428.518 0.966 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750077731 WTDVYHYLEKJRMC-RVKKMQEKSA-N 428.559 0.614 30 20 ICED CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750983646 YXXSMJFZDPUUKT-LSDHHAIUSA-N 441.558 0.264 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCOCC2)cc1 1770741118 XCRGYZHGCDXVMD-UHFFFAOYSA-N 447.517 0.505 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779102012 AMLCMPKYLFDSRB-CCDLRZDJSA-N 442.476 0.702 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779310910 JDEKADNUTSDWQZ-OFNKIYASSA-N 442.516 0.472 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1779422346 DOCCKNSSGLPVPF-CLEJSMCOSA-N 434.497 0.321 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1781169639 XOUSQLLYCMHPJF-DRSNIGMVSA-N 437.537 0.894 30 20 ICED CC(=O)Nc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1O 1781179932 NTBNIPUKFBJFHZ-XMSQKQJNSA-N 443.456 0.566 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781390352 HIRQPMQPESVAPU-HRAATJIYSA-N 433.509 0.765 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1Br 1781903007 REKFZUUOZIQBQX-YJBOKZPZSA-N 436.310 0.050 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128015 KBJKACSDBDDORY-IVZQSRNASA-N 429.473 0.832 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567797 AKFIRMUJBZIQBI-NRFANRHFSA-N 435.477 0.161 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983013 UDGPRUPBSMJISW-SZZBOLBSSA-N 430.383 0.207 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857968 JXPIHBWXLCMFBD-VJANTYMQSA-N 430.553 0.781 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787497428 GWFWYMBTBOFXMX-DNCCFGNJSA-N 434.562 0.962 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788677863 HJTXIHRSPQODKI-DVBNOFGCSA-N 430.421 0.623 30 20 ICED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C(F)(F)F)o1 1791075669 KOUMONXXCGYCFV-SRVKXCTJSA-N 429.351 0.683 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 1793206609 VEUMXOYDBVGDRY-WERVVEIQSA-N 436.512 0.928 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1c(C)cccc1C)C2 1793346058 YLFBLTDNNHWTFX-FTEYMNFISA-N 427.501 0.870 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)c1 1793958600 IKQLHUHKGWLDJQ-VTYHHJSWSA-N 447.495 0.895 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnnn2C)c(O)n1 1794226036 YFCRZBAKCQMDJD-ZSBFGKGUSA-N 426.477 0.551 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794435152 GLYOAWNBOLVUTB-LTCOOKNTSA-N 448.520 0.939 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796213206 NTSXIDDVFDPYCI-ZSBFGKGUSA-N 427.461 0.671 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ncccc12 1796217339 RFNNDKMIWOCRTK-MIFYACCESA-N 425.493 0.443 30 20 ICED 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]1C=CCN1 1796309369 HQLBHTYENGLWQC-RZFLPCETSA-N 434.537 0.573 30 20 ICED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1)NC(=O)OC(C)(C)C 1796315632 ADGDJHDENKINQQ-STEXWYFWSA-N 448.564 0.964 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783559 XQUWZHCNXDGJCP-OPVJXMOQSA-N 430.549 0.556 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1797784241 PZYONVIXHRPFQM-XOIINTDNSA-N 431.449 0.220 30 20 ICED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1C 1797816053 ZIGJNDZRXBJNFO-OZHCATNZSA-N 433.509 0.715 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)no1 1797827632 ZUNWGVMDUONOLX-MBTWDSIQSA-N 443.460 0.015 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c1Cl 1798592011 ANZQKJHMRLPEIA-FIIQBIKZSA-N 430.892 0.941 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1800542805 FXNOGTCDTMYLJQ-MIFYACCESA-N 443.472 0.900 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801160955 PJQYCGXAQQTNLC-YYAJDYIMSA-N 433.505 0.916 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801454106 CQQRAYQFOZOYBX-IJAUKGFQSA-N 433.509 0.871 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1803608057 LMWWYEPEQYRYFM-UAGQMJEPSA-N 436.534 0.585 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CC1 1806852811 DDVABVRRTSRRAV-CTNGQTDRSA-N 438.532 0.555 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810284137 KEBOIIJMLHJMTK-CSCWPXRKSA-N 425.497 0.246 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810287619 CKCIMMPKCOQWRZ-VZCSLHMMSA-N 426.521 0.695 30 20 ICED O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817614994 BPCCTZCGWZGUQD-INIZCTEOSA-N 426.481 0.787 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818964001 UVIOFURIXKGFBB-QFBILLFUSA-N 444.536 0.604 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c1 1822030281 STYFIPZIQINHCM-QRWLVFNGSA-N 441.513 0.891 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635770 ODUNJTOBNCAPJV-HXOBKFHXSA-N 442.516 0.472 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898972 PXADLKWZVVWABP-JWNTYJGQSA-N 429.517 0.964 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1830056408 WIMFYDXHEKZUMR-HXUWFJFHSA-N 428.449 0.055 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831401573 CADAOGXZYPJBCZ-DRSNIGMVSA-N 430.505 0.009 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831485475 VJNRFJWVWPHXOS-VQIMIIECSA-N 442.513 0.807 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)cc1 1833107698 KEAHUKFICBMRFW-FQEVSTJZSA-N 439.516 0.781 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)on1 1834222550 IVHHZGCAKGUFNT-MFBSEBAMSA-N 436.465 0.582 30 20 ICED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834897708 QWVTZPUFKUPLMB-UHFFFAOYSA-N 442.564 0.548 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835053955 HEPFJHXGXPCYPN-IRXDYDNUSA-N 427.615 0.959 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1835098699 OOSSLNJZGZQANE-JOCHJYFZSA-N 438.440 0.010 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)ccc1F 1835513888 MPCFLEPAZZCHJW-HXUWFJFHSA-N 449.508 0.323 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)[C@H](O)C=C)CC2)CC1 1835713434 LRYKXUPKQRVDDT-QFBILLFUSA-N 434.581 0.822 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441270 YWVQFNUCDRIYGG-XTVKVDEJSA-N 443.548 0.861 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N1CSCSC1 1837568773 CWENAUUWEOEGLR-JXFKEZNVSA-N 439.603 0.899 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1837807862 WQYDBQPXPAKSTA-UHFFFAOYSA-N 447.580 0.889 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837870058 MVVQSUDEXYJIRH-IBGZPJMESA-N 447.580 0.888 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838905872 DHYREVZTIVWYIK-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839174839 ZSYBBFZLIOYVQX-HXUWFJFHSA-N 436.465 0.145 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839227573 UDBJLBHDVFOCKV-YCRPNKLZSA-N 448.476 0.681 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363130 KMJZTNLEYSNHEL-GAJHUEQPSA-N 440.500 0.513 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c(Cl)c1 1839425356 XCPUSGAPTCSSJX-FQEVSTJZSA-N 434.880 0.547 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1839608531 JVLBHRBPZBOPGF-JOCHJYFZSA-N 426.473 0.945 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663609 FJSNCFCNFSYAPM-PGRDOPGGSA-N 430.505 0.468 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1839806046 YTRHGUHDYIVODE-ACTFIFLWSA-N 433.505 0.474 30 20 ICED CN(C)c1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044231 RITMIKTVFITVGE-HSZRJFAPSA-N 443.500 0.230 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165100 VYOXKNQHKZXVJO-UMRWDKDBSA-N 445.541 0.671 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458312 ZDRGGQRLFYCHGY-DYESRHJHSA-N 433.509 0.667 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022816 XGOFPKWXFXUHDE-AWEZNQCLSA-N 433.534 0.896 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)[C@H]1SC(=N)NC1=O 1846980115 WLQWYCIIOCNSHE-CXAGYDPISA-N 441.513 0.943 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1 10774028 ZNNBGLNWHRUHGW-LJQANCHMSA-N 440.522 0.476 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)C1=O 116308092 MMDCEUXSZOGJQZ-HOTGVXAUSA-N 428.489 0.889 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 439945646 SGAQAOKADUDRJR-YFTGLANFSA-N 449.485 0.177 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 440376787 BTDZFEKKHYPHTQ-UHFFFAOYSA-N 425.510 0.753 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCOC1 441959146 VZGUYFBKLFFUGN-MRXNPFEDSA-N 442.541 0.306 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 442274560 RHRWKWJHSAEUGV-UHFFFAOYSA-N 436.534 0.413 30 20 ICED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448510601 BEEUAXVSBDYIHC-UHFFFAOYSA-N 442.476 1.277 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 465212628 FMYBVJVDFCOZMR-GFCCVEGCSA-N 435.535 0.738 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470822412 TXQIZGYHRXIDJR-UHFFFAOYSA-N 448.530 0.667 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472858450 KYZGVBPWVLUPIK-UHFFFAOYSA-N 427.465 0.308 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472884227 RCGFOUIXMUKJBS-UHFFFAOYSA-N 448.491 0.561 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC(F)F)c(=O)n2C)CC1 480281685 DPGFZGWHLRETHK-UHFFFAOYSA-N 448.495 0.715 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O 480656681 BVSJQSKLZSUDHB-CYBMUJFWSA-N 426.454 0.637 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 483814336 AASDDRYPJFLIBN-UHFFFAOYSA-N 447.451 0.735 30 20 ICED C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@@H](C)O1 484263872 WIUDYZPDSJVRMR-QZTJIDSGSA-N 444.536 0.708 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484484851 DJBNKNRETDDABC-UHFFFAOYSA-N 447.586 0.148 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 486482606 AENSKHOPSJFKMW-WKWVNEEDSA-N 447.495 0.765 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4nc(N)ns4)CC3)C2=O)cc1 488280386 MURYNUSCANAIGF-OAHLLOKOSA-N 426.506 0.625 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 489211065 XSTNMVYFNSHVFD-KRWDZBQOSA-N 427.548 0.791 30 20 ICED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 514965970 OAUKDTYJMNHDOF-UHFFFAOYSA-N 440.478 0.519 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 515153490 FLKIEUZISDCEGT-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1c(CCCNC(=O)NCCCN2C(=O)CNC2=O)nn(-c2ccc(F)cc2)c1N 518703600 TYOKAWPOIGPQIT-UHFFFAOYSA-N 442.455 0.639 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3nnnn3-c3ccccc3)CC2)nc1 519128280 LJQGVISKURXIQP-UHFFFAOYSA-N 438.517 0.520 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)n1 532566725 IGTLQBSHRPCKTG-UHFFFAOYSA-N 426.481 0.971 30 20 ICED COc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnc2c1cnn2C 541407095 IEVAILVJKINZIF-UHFFFAOYSA-N 440.485 0.995 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 551126147 RUNBSGSYYNWKQF-FQEVSTJZSA-N 440.592 0.592 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 555041628 IKGYUPDPTAXBTO-HNNXBMFYSA-N 426.470 0.535 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 585701363 AVXADRYYGFFKMU-LJQANCHMSA-N 428.537 0.511 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O 679752869 GNGSFGWPTGOUIF-UHFFFAOYSA-N 447.520 0.994 30 20 ICED C=CCOCC(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 729762689 HTCLKCNDRXZEPO-UHFFFAOYSA-N 428.463 0.400 30 20 ICED C#CCN1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 733162014 ANGRYJKRCLOLMY-UHFFFAOYSA-N 446.529 0.547 30 20 ICED CN(C)S(=O)(=O)N(C)CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733857428 MZIMROMOEJIMBC-HNNXBMFYSA-N 437.478 0.045 30 20 ICED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746447576 BLJKAPDIRVQURZ-HAHDFKILSA-N 437.522 0.326 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCOC 747079523 FTYCTFRVNQKMOF-UHFFFAOYSA-N 435.452 0.963 30 20 ICED CN1CCC(N2CCC(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 747774719 ZIGWZANFEUKZPB-UHFFFAOYSA-N 433.578 0.790 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 748989278 ZSUXFWNUXGDPLC-XLNRJJMWSA-N 447.517 0.271 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccnc2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 752732557 AZNJLKZUCXXDOC-UHFFFAOYSA-N 438.466 0.138 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 758771770 OMHUEXDSNRWTCF-IRXDYDNUSA-N 434.541 0.695 30 20 ICED N#Cc1cccc([C@H]2CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 761763299 PXSYABUFWHYZQC-HXUWFJFHSA-N 428.514 0.938 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 767681991 UVELIPAQTKHYJO-CYBMUJFWSA-N 436.490 0.927 30 20 ICED N#CCCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 776118306 DRFPTKHZMZITBM-UHFFFAOYSA-N 435.911 0.724 30 20 ICED COC[C@@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 785125879 XSJCZLVIWIOYJU-TZMCWYRMSA-N 438.911 0.503 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)c1C#N 788116051 YQEPYLDPTXJPQQ-UHFFFAOYSA-N 432.506 0.940 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n1 789793665 PIBOOIXTNAQVEX-UHFFFAOYSA-N 438.488 0.973 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N(C)CCC#N 792390556 UMUIPYWJELZWOY-CQSZACIVSA-N 436.490 0.395 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 794641240 WLRHVYMPWBMQHX-HNNXBMFYSA-N 439.497 0.661 30 20 ICED Cn1cc(S(=O)(=O)Oc2cc(C#N)ccc2I)c(=O)n(C)c1=O 798463899 TVUBQTLMMZSJOJ-UHFFFAOYSA-N 447.210 0.328 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]43)CC2)c1C#N 809527673 UVKGFXMUIDUMRX-PMPSAXMXSA-N 434.591 0.745 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 812279308 OUKNBROUKCLZOZ-ZDUSSCGKSA-N 432.424 0.754 30 20 ICED CN(CCCC(=O)NS(=O)(=O)c1cncc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 813979854 GTCWFSXQSQWXAB-UHFFFAOYSA-N 440.478 0.998 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 816715197 LFMROUHJGDMMTB-UHFFFAOYSA-N 438.535 0.420 30 20 ICED O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCN(O)C1=O 816756081 PJNFPTWRIWMGHF-OAHLLOKOSA-N 441.506 0.793 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(F)c3C#N)CC2)c1=O 915204202 OIPIDFNAYYUHLF-UHFFFAOYSA-N 426.452 0.334 30 20 ICED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916888968 GNQMGYFUVPFNND-GOSISDBHSA-N 440.481 0.446 30 20 ICED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1253749430 HRTLRQNCMPZZBZ-UHFFFAOYSA-N 439.534 0.118 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1299302573 WTWXEZMXWGXIGE-UHFFFAOYSA-N 426.506 0.835 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1508426822 WLESCWXHPRKTFB-HYVNUMGLSA-N 439.586 0.547 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1517125339 NYOGVEKBUWKUDR-YLJYHZDGSA-N 431.518 0.840 30 20 ICED Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1543107291 JWDQFVABMGFPCF-ZUZCIYMTSA-N 428.519 0.733 30 20 ICED Cn1c(C#N)ccc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1587743011 XWEUFAQCIMERRC-UHFFFAOYSA-N 444.517 0.275 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1712104384 OOUHXXJDJFBOJP-UHFFFAOYSA-N 446.533 0.546 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1712123300 WEMXODSHPOBHOQ-GJZGRUSLSA-N 442.542 0.012 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1729556846 NUDRBAREQNWDIP-HNNXBMFYSA-N 437.547 0.732 30 20 ICED CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747416134 OUSUGJHQGKEZBX-CQSZACIVSA-N 430.538 0.967 30 20 ICED CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748294987 NAGRUVPIECUCBB-ZDUSSCGKSA-N 431.526 0.081 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1751209123 YGBSKNWGJOFWJK-CHWSQXEVSA-N 434.588 0.840 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1768931444 KWEMPUHSIUGVJF-KRWDZBQOSA-N 446.533 0.642 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829230 HAHLTOBZGAKRAA-CCULFSDZSA-N 426.481 0.040 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778018076 DWKSOPHSGNTQNY-XBHMSOGKSA-N 435.481 0.816 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1778779622 PZIHNZHIQVGWTL-DENIHFKCSA-N 444.488 0.385 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779035701 LQLRHXWYNMBORX-QFIPXVFZSA-N 443.573 0.805 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1779067119 NVTHYCJNCLINAL-QFIPXVFZSA-N 444.488 0.090 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105122 ATVGGPHDMKKRSD-MWRMKQMVSA-N 441.481 0.907 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1781176221 IJMBZTGZYFPUHU-SBUREZEXSA-N 440.500 0.465 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(F)cc13)C2 1782010555 UBSSMQCFSJEQHL-IIBYNOLFSA-N 428.420 0.918 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1782648366 DYBSQICISDXGAI-OAQYLSRUSA-N 445.545 0.251 30 20 ICED CN(C)[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1782835304 SLGWUHOBIOZBLC-PZJWPPBQSA-N 433.892 0.861 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783917503 QJYININAEPGTSN-KANFNMMFSA-N 446.935 0.264 30 20 ICED O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1784034078 GYEVNFIRBWJEMS-DJPJLMHDSA-N 431.514 0.843 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785169390 MYVOZZURQOIBMD-WNHJNPCNSA-N 430.505 0.382 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)CCC1 1785367201 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O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3Cl)C[C@@H]21 1791075593 BMLSQSZSDJVLJG-CQDKDKBSSA-N 430.848 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCC)NC(C)=O)[C@H]2C1 1792182491 ZHZHVPGIGKDVFR-YSMJTFFMSA-N 434.537 0.129 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2)C(=O)O 1795645004 UIIFCAANQFZQIY-YJTOSLPHSA-N 428.489 0.580 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436617 UNFNDHUXUZGIMD-OPVJXMOQSA-N 439.578 0.770 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798493142 WIZZOBIKQAVTNY-QWBAGTEGSA-N 444.554 0.481 30 20 ICED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884387 UYFBYMGJLCULLC-KOLGDFPGSA-N 443.529 0.796 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1800167655 MHMGHDINTYOWRN-UYTYNIKBSA-N 437.537 0.939 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)C(=O)C(=O)O)c1 1800262202 NFVGHGJHPNZVSA-KUZCPNRJSA-N 442.472 0.060 30 20 ICED 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 1800988880 YCGXMMXHLQKTKU-XYFZXANASA-N 431.555 0.170 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)cc1 1801031357 MRIOWTCFUYEJRC-JLVBRIDZSA-N 438.406 0.369 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3)=NN2)[C@@H]1c1cccnc1 1812881198 WGESIBSWNJARPP-JXHRLWIKSA-N 445.479 0.942 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470810 RKLUTQDPSUFYFZ-ZBFHGGJFSA-N 427.461 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818909715 IBDONGQJTNUHPO-JTHGQSKGSA-N 443.552 0.508 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673672 IGNIDPAQHAZWQG-MFKMUULPSA-N 438.506 0.171 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CC)C2)C1 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C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022569 BYXZFCZKKNEYHM-WZONZLPQSA-N 445.516 0.526 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1832456304 LRVTTWHNTMIGEY-FQEVSTJZSA-N 434.518 0.396 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833421100 RJGOKXGJGDSCCS-OAHLLOKOSA-N 428.537 0.986 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833480429 HONFUWFQPNORQD-VFNWGFHPSA-N 437.468 0.890 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1833851560 NVAFQWRZDBLBRX-HSZRJFAPSA-N 429.517 0.794 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665628 ODFJUJMBVHUDJO-UHFFFAOYSA-N 428.470 0.086 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(-c5ccccn5)nc4)C3)C2)CC1 1835340856 HMXIDYXUSWMEJP-QHCPKHFHSA-N 448.483 0.912 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835616147 BPATZVZFNSBNJR-QHCPKHFHSA-N 435.565 0.530 30 20 ICED COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC1 1835681456 XFTANDRMXBNHDJ-JOCHJYFZSA-N 436.553 0.684 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1)n1cnnn1 1835782915 ZENNJDQFSBZHHK-QLPFJNHISA-N 442.524 0.518 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c1 1835793967 INIXJWHFZWPJMI-HXUWFJFHSA-N 427.486 0.981 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnncc4C(=O)O)CC3)CC2)CC1 1835919749 OENMQADIFXEDJY-UHFFFAOYSA-N 426.477 0.664 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988490 XYSWDBJGNYHQSM-JOCHJYFZSA-N 448.520 0.319 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cncn2)CCO3)cc1 1836130033 FAWWUTRARNMNNZ-QFIPXVFZSA-N 438.488 0.239 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cnc[nH]2)CCO3)ccc1F 1836488167 FEIVANFVQUDHNP-JOCHJYFZSA-N 441.463 0.662 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836590629 ACBGSHSUIVXMGJ-HSZRJFAPSA-N 440.500 0.793 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1836862722 VRHIDTGXYDBJKN-INIZCTEOSA-N 438.594 0.507 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCC5)CCO3)C2)CCC1 1836979783 ACUZQORSQQWMBL-QFIPXVFZSA-N 427.505 0.983 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073378 FZHWKCILMUWNFN-VGOFRKELSA-N 428.489 0.995 30 20 ICED Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837370581 KFGIPOGXGZSQSA-OEBVFIGYSA-N 448.524 0.956 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837396601 GROIZUOOPYCMTD-VGSWGCGISA-N 436.553 0.298 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837833134 SKNQLCSDYLEGRT-KKHYBRAUSA-N 449.895 0.058 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838098900 BRFIQCZKPCLTNS-OAQYLSRUSA-N 426.429 0.565 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839174230 NXKYRIYLYKABPY-NRFANRHFSA-N 434.493 0.308 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1839807481 CKZOYINOQHPVQK-SFHVURJKSA-N 437.378 0.451 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1839811825 QCKZOIJUDLJHNS-URZJWIJPSA-N 433.505 0.545 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839841074 MCDNILQFXUCETO-BTYIYWSLSA-N 434.493 0.980 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1)C(F)(F)F 1839892168 XNGLCMCTSOVVNH-KRWDZBQOSA-N 432.399 0.929 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840039496 VFPUAGVQJYKQIW-HVETUWLQSA-N 448.520 0.756 30 20 ICED Cc1oc2cc(O)ccc2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042909 VLSVAZORRXDENZ-JOCHJYFZSA-N 442.424 0.605 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)C1 1840148492 RGCIOOWKEZIPNH-MFCZKXCZSA-N 428.551 0.741 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781961 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CENYANMQPLAAOQ-UHFFFAOYSA-N 436.310 0.882 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCN(C)CC1 505658927 JFVGYNVNYGNXTK-UHFFFAOYSA-N 426.546 0.024 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)n1 508313905 BFUURGOZRQZAAO-UHFFFAOYSA-N 429.238 0.853 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H]1C 509219495 LZNOGIHMODJIKP-YHUYYLMFSA-N 434.588 0.339 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 510720227 QWIPERGGDFJBGD-OAHLLOKOSA-N 427.548 0.837 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCCOC)c2)c1=O 523463095 KGJDCXGAFDDZFJ-UHFFFAOYSA-N 431.514 0.221 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C 533380989 ZZPNBIPZEUVGRA-UYAOXDASSA-N 434.562 0.638 30 20 ICED CN(CCNC(=O)N(C)C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 539728593 NDOFVAQVEOCBHT-UHFFFAOYSA-N 429.481 0.658 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546199833 JWURGZWCDCYRLQ-UHFFFAOYSA-N 441.513 0.828 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546779869 UYMGFVXPIJRGSY-UHFFFAOYSA-N 427.482 0.839 30 20 ICED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 550183474 DMJHSQFTHBNJBM-IAGOWNOFSA-N 428.537 0.606 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)CC1 553734355 VZFFEBNXWSDCFX-BGYRXZFFSA-N 447.624 0.792 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 561101767 PPCZQAJUGMUIFI-MGPUTAFESA-N 427.461 0.549 30 20 ICED Cc1cc(=NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]n1-c1ccc(F)cc1F 565684961 QNZZRBXFZWWRDZ-UHFFFAOYSA-N 442.430 1.088 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 577299081 MORBMQYNDBERAD-UHFFFAOYSA-N 425.445 1.477 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)C2=O)cc1 583886168 ZRXVSLLIAXXGCH-OALUTQOASA-N 428.489 0.477 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 588125091 WRONEWCWYKJSEV-SFHVURJKSA-N 433.459 0.676 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 590897366 OJAHBUFNJRBGSO-ZDUSSCGKSA-N 431.489 0.898 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)C1 603868305 KXEYXDUREAVONX-CQSZACIVSA-N 431.518 0.988 30 20 ICED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 610583528 VZLLJBOIMPXQMP-UHFFFAOYSA-N 440.469 0.433 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 611174638 NIWDRGUDSBHYGU-HXUWFJFHSA-N 427.505 0.028 30 20 ICED C=CCOC[C@@H]1NC(=O)N(c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 672087105 OYEPARLGANOMDK-AWEZNQCLSA-N 425.463 0.344 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)C1=O 726043721 QTENONLDQHIIOL-UHFFFAOYSA-N 449.217 0.477 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)C(C)C 729915687 LUBDNNSTOHMYDR-AWEZNQCLSA-N 430.552 0.985 30 20 ICED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 731235179 XPEHWDURDIWQRF-UHFFFAOYSA-N 436.273 0.811 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465921 JMARGQGNCJUVGJ-WUKNDPDISA-N 425.449 0.782 30 20 ICED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 733161194 JPRYPPUKNQOTLV-UHFFFAOYSA-N 437.518 0.634 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2occc2Br)c(=O)n1CCOC 735295020 MXVMVBDSYOZLQJ-UHFFFAOYSA-N 440.319 0.941 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 747849838 FNMZLQPYJJDUOR-UHFFFAOYSA-N 425.532 0.277 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2sccc2OC)c1=O 758078136 IFCXFBXSCLPBRY-UHFFFAOYSA-N 431.539 0.659 30 20 ICED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 759173929 NFOJABNZBRIWMF-UHFFFAOYSA-N 436.486 0.637 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2-c2ccccc2)CC1 763436719 LQNVLOSMPKCXHW-UHFFFAOYSA-N 447.564 0.905 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC1CCCCC1 769776745 CYVYVRPKZFDKKK-CYBMUJFWSA-N 436.490 0.927 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 774096641 RRGUDDBGDNLKSR-IRXDYDNUSA-N 433.486 0.611 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2ccc(NC(C)(C)C)cn2)CC1 774781318 NDCVTGKOUNBGPJ-UHFFFAOYSA-N 447.584 0.988 30 20 ICED C=CCn1c(S)nc2cc(C(=O)Nc3cnn(CC(=O)NCCO)c3)ccc2c1=O 797750353 UPLDSMSRAASERW-UHFFFAOYSA-N 428.474 0.429 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(OCC)cc3)CC2)c1=O 798223666 PYRRCALYUMJMIA-UHFFFAOYSA-N 441.532 0.718 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4ccc(F)cc4S3(=O)=O)CC2)o1 801663045 FUBHJHQIJCCUMW-UHFFFAOYSA-N 433.421 0.487 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCOC)c2=O)c1 917769023 QUCSWNLEIIEMCF-OAHLLOKOSA-N 445.541 0.609 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2c1=O 921246163 ZFGAFRWLKOHQGL-HNNXBMFYSA-N 448.570 0.816 30 20 ICED Cc1cc(C(=O)NC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 1115889921 FHOSSBHIJIMAAW-UHFFFAOYSA-N 431.474 0.443 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(=O)N(C)C 1116378137 ZJDIFWAFOUMUBP-UHFFFAOYSA-N 446.504 0.175 30 20 ICED CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294900291 QMRSBERWGBHNNY-MRXNPFEDSA-N 437.508 0.349 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1303004095 MGSCAPXUVYUTEU-CYBMUJFWSA-N 435.414 0.590 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c2ccccc21 1314898211 HMEUTAYEXDZPER-AWEZNQCLSA-N 429.506 0.715 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1324928788 QFPDDDJIYNCXKK-MAUKXSAKSA-N 426.516 0.064 30 20 ICED CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CCOC1 1504047326 IZPDQPUIGADSSO-RDTXWAMCSA-N 426.543 0.824 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1510292220 XTDBGUKWTJNENL-RBUKOAKNSA-N 436.538 0.194 30 20 ICED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1542393087 ZFBROILJXRPKIP-MSOLQXFVSA-N 446.533 0.697 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(C)(=O)=O)n1 1612501337 KJIBMIIVFATRNI-KRWDZBQOSA-N 432.554 0.361 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1618690310 OGEYNOSPEHFJRI-XXHMAFKTSA-N 426.477 0.308 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1618709808 NRMDBUPOKLQQTR-ROUUACIJSA-N 442.476 0.095 30 20 ICED C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1633550660 WUWHMNKRGXVMRE-MRVPVSSYSA-N 440.279 0.579 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1706748721 XZIGGJFZLDBJOE-IIDMSEBBSA-N 428.559 0.756 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1750383444 VOABAIJFBSFVKP-OALUTQOASA-N 430.465 0.808 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(C)(C)O)CC2)c1C#N 1751828233 VAJUZXDBIQTWPM-INIZCTEOSA-N 441.540 0.630 30 20 ICED CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766232447 SXPVKFLBTBMYQR-WBVHZDCISA-N 449.581 0.273 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1779332187 CAECKDLVWLZVDE-WSOZGMELSA-N 425.526 0.136 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 1780560958 ROIDSKIGJZHHJW-GOSISDBHSA-N 437.246 0.686 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780907115 JSAFXWKVPUFUNK-GRWTVWFQSA-N 445.491 0.871 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781052468 JDTWSTKZVNHZAU-STSQHVNTSA-N 445.564 0.499 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1781396395 XRMGPCCCAOFGHK-IIBYNOLFSA-N 443.508 0.986 30 20 ICED O=C(Cc1cc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781566863 GCMSLPSDSNYOGB-RSBZRLIOSA-N 433.509 0.995 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1781736778 MSBVLGOVHVRHTH-IUSZMWJPSA-N 428.493 0.757 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781757332 CDIYNXQUHSTPEZ-YQNSVDCASA-N 427.505 0.701 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN(CC)CC)C[C@@H]21 1783530635 MWDGOPVPHWFJTE-PHQBQCIDSA-N 434.581 0.802 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783611345 MFSQAONQPCGBOE-VVBPWWLESA-N 448.520 0.490 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858277 RKTYALFRAXDGRM-BZSNNMDCSA-N 430.553 0.912 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21 1788660454 PKMYZZAAHWXPDE-FLOZDOSTSA-N 432.477 0.910 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790269097 PMKWNWYQOCWOMI-WDSOQIARSA-N 433.530 0.895 30 20 ICED C#CC(=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 1790793533 NHOVZIXSTYVMEF-VMDVDIMUSA-N 435.521 0.360 30 20 ICED 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 1793078358 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2cccnn2n1 1798420127 KSXNKYGGRFJDIS-SJSYYZABSA-N 442.476 0.462 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1800108635 ZTCQUCRBMATVDH-QDMKHBRRSA-N 429.477 0.388 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ncc1F)C2 1800778118 AYHNZFBBNRGHMR-WRBXQSRGSA-N 440.225 0.274 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801765882 VDNOGWCKSUVPGL-QFNVCVKDSA-N 444.488 0.581 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1802484328 ZOFYMVHPIMELFX-HPYSDIGDSA-N 425.489 0.224 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)c(=O)nc1O 1802692249 AXTJMMYIYJDNBG-WMZOPIPTSA-N 438.488 0.908 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803603666 JXTVSBCIHNKTRX-OTRWWLKZSA-N 433.534 0.640 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1804130266 FIXVLUSYHITDSO-SUWCGCSTSA-N 428.489 0.226 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1804173429 QUKWHSWIYKWMPI-YJBOKZPZSA-N 442.478 0.731 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1 1806000990 DXYYLDKETGYHIO-MRXNPFEDSA-N 427.505 0.510 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806854853 LJBMNQSOSKRMBB-DFQSSKMNSA-N 449.515 0.862 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807145898 RPSDDYWADRJBKQ-MJGOQNOKSA-N 440.552 0.209 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807949003 LVXCIGGXNPGISH-OXJNMPFZSA-N 448.487 0.721 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232114 MOWSVSPSAZNVBX-TZMCWYRMSA-N 427.398 0.165 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425459 HBYCWUBLWRXXTC-RDJZCZTQSA-N 444.536 0.693 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822026737 QCUUBQGRKXTUQU-QGZVFWFLSA-N 429.481 0.202 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554520 ZDNIDMZCJBNECR-VXGBXAGGSA-N 431.474 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3sccc3OC)C2)C1 1829769495 WGUVLSRBVBPOMT-OLEQZPESSA-N 449.529 0.685 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)COC1 1830034016 HUJCMFAAUJXXJC-QFIPXVFZSA-N 431.464 0.733 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1830458345 QKDADYLSZXMDQI-QHCPKHFHSA-N 437.500 0.844 30 20 ICED O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)=NN1 1830468758 WYDIWLHQMNWLBR-OAQYLSRUSA-N 444.875 0.024 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831186858 DCUOWLPQJNAIRS-GAJHUEQPSA-N 442.516 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3F)C2)C1 1831398404 AQGKFVKALPPNEC-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832763513 PQCOBFPGXMFLFL-JTSKRJEESA-N 433.505 0.680 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833492139 XJSYVOUUQSSLBL-OALUTQOASA-N 442.626 0.664 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1OC)CCO2)C(F)(F)F 1833508218 HHIMPDPLOPRREP-KRWDZBQOSA-N 430.383 0.674 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835516220 BMIWHCDZBOSSJU-FQEVSTJZSA-N 447.517 0.020 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835592809 VFLFTBXEAMGYCE-NOXFTYBFSA-N 435.565 0.515 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682869 WYJJEJINEZBJPV-LJQANCHMSA-N 428.480 0.936 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836781744 WRHQFTQBPXNEAV-KSFYIVLOSA-N 445.520 0.299 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837000200 IEPZNWPTLLVHAC-MBSDFSHPSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837402494 BQYJAPOEVMQNBE-VGSWGCGISA-N 448.520 0.309 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837402787 FEDVNYRDIGYUPU-CVDCTZTESA-N 442.516 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524679 FLFNUBXTHWACIN-NSDLYDKDSA-N 437.493 0.010 30 20 ICED Cc1ccc(NCCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1837543590 DRZANOLUPSXNHP-QHCPKHFHSA-N 443.500 0.650 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837562830 RKUMMXAVHNZINM-JFOGYLRVSA-N 432.502 0.854 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1838582058 BAWKLNVTRLNREW-HXUWFJFHSA-N 427.417 0.334 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839228434 DEWJPDYHFARBDQ-KBXCAEBGSA-N 431.511 0.062 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810658 KPKGLAFGEDWKJU-OPAMFIHVSA-N 433.505 0.333 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(N)=O)CCO3)c1 1839861433 XONAAYFDKDHGSI-QFIPXVFZSA-N 428.489 0.213 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1)C(F)(F)F 1839892902 JHXBNXLKSURPER-KDOFPFPSSA-N 435.443 0.866 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985951 BGRXFVLKXSRSRC-HXUWFJFHSA-N 443.566 0.887 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193778 WIKGXZQEYUSALB-KDOFPFPSSA-N 431.511 0.062 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1840356016 UGLIXNDZTUBNNR-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548016 HXVWRJOTKRZSAG-FQEVSTJZSA-N 430.567 0.870 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1840661362 UMMPHUTVLRFDAI-JOCHJYFZSA-N 428.441 0.170 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840818962 HSOLFYXVRYSWDI-QFIPXVFZSA-N 439.472 0.441 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC=C)C2)C1 1840908269 HMIIGLYDCIXNHN-VGOFRKELSA-N 435.521 0.936 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1847046281 ZUGOMOVMYNGGRI-QWHCGFSZSA-N 429.539 0.965 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)NC(=O)NC)nnc12 9549629 YRHTZPQOXQEXOI-NSHDSACASA-N 444.473 0.710 30 20 ICED CCOC(=O)c1sc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C#N)c1C 18182757 WDSKGAKDVVYUQS-UHFFFAOYSA-N 444.473 0.881 30 20 ICED COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1OCC(N)=O 61646641 CQJUZZKOGYNVGM-UHFFFAOYSA-N 432.458 0.690 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)ccc1SC 410093717 JIDLNUUHTRXHLT-CQSZACIVSA-N 445.566 0.976 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)(C)CN(C)C 440380792 KHWXLJVOJHBGMX-UHFFFAOYSA-N 441.557 0.990 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCOC1 441942905 RFAXFTPDIBHGIK-SFHVURJKSA-N 441.553 0.911 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)CC2)c1C#N 443189074 AVFKHNVXYVFNEI-UHFFFAOYSA-N 447.912 0.945 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446530325 HTJRUDWTWWZFBR-UHFFFAOYSA-N 426.481 0.373 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 446675493 GYEQAKWNLPPLTL-QGZVFWFLSA-N 447.561 0.647 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 471700241 IUWYCRLDGRRVTK-AWEZNQCLSA-N 425.449 0.976 30 20 ICED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 473381945 ICISPMXYLILSFZ-CLCXKQKWSA-N 430.505 0.964 30 20 ICED COCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480290709 HTKZDBJDJTZQRQ-UHFFFAOYSA-N 425.492 0.054 30 20 ICED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 480938934 RSLCSGOGGUHJBH-UHFFFAOYSA-N 449.938 0.883 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(C#N)cs3)c2=O)cn1 481977663 OPWIIGKDABDDHT-UHFFFAOYSA-N 436.522 0.830 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486482475 YKWHTJVDXDJFSF-GOSISDBHSA-N 433.534 0.630 30 20 ICED CC[C@H]1C(=O)N(CC)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495195344 NSDISYYFFBQZGM-SFHVURJKSA-N 447.561 0.334 30 20 ICED CS(=O)(=O)NCC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503112917 STBZDNUSQAOAII-SFHVURJKSA-N 433.534 0.630 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 506265401 XGFAFHROFUHCHR-UHFFFAOYSA-N 447.561 0.505 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 507968469 CBQJTXJZPLNHRP-QKKBWIMNSA-N 443.460 0.501 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532505326 DFWRQJFTPGWLNK-HKUYNNGSSA-N 433.578 0.852 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1c1nccn2cnnc12 538102255 IQWAWPZYVJGVNF-ZDUSSCGKSA-N 436.480 0.623 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(OC(F)F)cc2)C1=O 539346973 KRPGNCTVTUIFFP-ZDUSSCGKSA-N 425.344 0.595 30 20 ICED CCN1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543943172 POYQERGFVQOPQK-UHFFFAOYSA-N 427.484 0.965 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCOCC 544640931 OBRPPOZEGJJKLC-UHFFFAOYSA-N 442.497 0.968 30 20 ICED C=CCn1c(Cc2noc(-c3coc(S(=O)(=O)N(C)C)c3)n2)nnc1N1CCOCC1 546351308 FOCGITLUVFPBOH-UHFFFAOYSA-N 449.493 0.785 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C(F)(F)F)c2)c1=O 550218074 CHAGIVXARCLMMN-UHFFFAOYSA-N 441.406 0.967 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC1 553372187 ILASYZVFWRBZQR-UHFFFAOYSA-N 435.613 0.886 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccc(F)cc2)c1=O 556332864 NEYBWPULHWMEEK-UHFFFAOYSA-N 437.500 0.807 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)nnc12 572086926 OBSGSIFLTRWPBB-GXTWGEPZSA-N 447.542 0.872 30 20 ICED C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cccc(C#N)c1 585710334 UYQCUBXOPSNUHH-OAHLLOKOSA-N 433.468 0.624 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCN(C)CC1 585736827 ZJTBSOSDLGQMKI-INIZCTEOSA-N 443.552 0.072 30 20 ICED CC[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 588123570 BHRHNLOQRPKTED-RTWAWAEBSA-N 427.549 0.886 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 588375609 LDUYEDUFQCBKJI-DOTOQJQBSA-N 425.489 0.126 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 604042843 HCMNYACUISLXRR-AWEZNQCLSA-N 434.561 0.491 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 604218785 KIUIBMUUINKIRM-UHFFFAOYSA-N 426.408 0.949 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038302 LUXYLXMDBAVCCT-INIZCTEOSA-N 449.536 0.597 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 610810173 UTYAARFWUIOQHG-GDZNZVCISA-N 430.490 0.269 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)C1=O 726042033 AKJPUYFFYGMNTN-UHFFFAOYSA-N 443.437 0.869 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccc(OCc3cccc(C#N)c3)c2)c(=O)n1CC(N)=O 727160999 MQOKPXJICPPIPE-UHFFFAOYSA-N 441.472 0.872 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 728534519 OCENLIQBCUNTFO-UHFFFAOYSA-N 435.322 0.463 30 20 ICED NS(=O)(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732664910 QIVVVOHOJWYTAI-CYBMUJFWSA-N 428.536 0.175 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 733148737 JZRKCKCQHYDMOC-RBUKOAKNSA-N 446.548 0.252 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741375627 QMESOCGKJYGMGA-UHFFFAOYSA-N 426.447 0.567 30 20 ICED C[C@@H](CC(=O)N1CCC(NS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503336 QOHUHQSVWMRMHI-LBPRGKRZSA-N 428.536 0.044 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)cn1 743725146 GCRRJXXPAIJJOR-UHFFFAOYSA-N 437.525 0.770 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCCCC1 745386472 GYVWLSAXDUCCBW-INIZCTEOSA-N 440.456 0.803 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 748790343 DIBUANYFFFSOJD-LBPRGKRZSA-N 432.527 0.144 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758041397 UADFKFPNINHYJB-UHFFFAOYSA-N 438.465 0.632 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762978916 MNYFJUAZMOYEER-CQSZACIVSA-N 442.497 0.531 30 20 ICED C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H]1N1CCN(C)CC1 765347396 GDMRSQBGDUNMCS-SCTDSRPQSA-N 447.605 0.988 30 20 ICED CCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OCC(C)C 771892386 QPUYGLUUHFZFPP-UHFFFAOYSA-N 438.506 0.830 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)CC1 778627218 SFNFFHDPYAHSHP-UHFFFAOYSA-N 425.482 0.448 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 781368278 PCZMMTRPVYJEPQ-UHFFFAOYSA-N 448.528 0.517 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCC1 784180383 CVXAYCSSTYPSOT-UHFFFAOYSA-N 435.380 0.969 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1 784558092 WBRDOSMEDRRODU-UHFFFAOYSA-N 436.472 0.492 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)c1C#N 788536766 NRNJDXXSQRATIO-SJORKVTESA-N 426.502 0.953 30 20 ICED COCCn1ccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 789746253 JKGZEBKDSOWUPF-QJOMJCCJSA-N 448.505 0.920 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790428631 YZDXXXZBLNPOGY-UHFFFAOYSA-N 449.532 0.694 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 793203038 FXTVRAYRBPYNQS-KQQSKNTNSA-N 430.486 0.539 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 802469979 UZFMHPPQWGXZHM-UHFFFAOYSA-N 434.522 0.893 30 20 ICED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 802527948 NZRXQOQLOIUXQS-KRWDZBQOSA-N 434.522 0.765 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278680 IDISDBLHZJYAGE-UHFFFAOYSA-N 441.529 0.972 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 918243902 TXEDIJWPHYCQSQ-XQNSMLJCSA-N 435.506 0.080 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(CC(N)=O)CC2)c1 918431780 SYVGQLQUIPLWOH-PTGBLXJZSA-N 449.533 0.552 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)cc1 918817194 LGUZPEHDCFAFMZ-MRXNPFEDSA-N 429.454 0.500 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 919539954 MAFOMUFRLGRKMH-LLVKDONJSA-N 439.446 0.035 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccnc1 1288862252 IECAHVRSAPMOHD-YJBOKZPZSA-N 444.565 0.703 30 20 ICED COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1315557858 MVGBCHPQSUFAQI-OALUTQOASA-N 435.481 0.945 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1318795555 NVUYXXNUPHXOLA-OAHLLOKOSA-N 449.533 0.100 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1510065237 SXWQCEMRWBPPQU-CPUCHLNUSA-N 429.522 0.003 30 20 ICED CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1512643665 XRODPGADOLTTTM-NRFANRHFSA-N 443.556 0.818 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517624991 GQLKHGCMYGSMEF-KRWDZBQOSA-N 429.550 0.979 30 20 ICED COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1518286956 LNPQVKHHDHQOAP-HNNXBMFYSA-N 427.465 0.590 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1541946057 PBWKILZSOGEMPK-ZFWWWQNUSA-N 434.526 0.126 30 20 ICED C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)CCO2 1545151575 QDMUGQZIKQOVSM-QRWLVFNGSA-N 446.533 0.750 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1618847319 PVJSLYLTHCBDTH-MRXNPFEDSA-N 436.494 0.144 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1636784438 QOYCLAIGROMUSI-MRXNPFEDSA-N 447.561 0.557 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1726637430 JAPVJXPPUNKCNH-AWEZNQCLSA-N 431.522 0.375 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC2CC2)cc1 1731185247 VQXYJWASMXXRFJ-UHFFFAOYSA-N 444.517 0.490 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1749809528 PDWWAPIGAWDNMR-SJORKVTESA-N 436.538 0.167 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1=O 1771136180 MBNDDBIZDVJIGV-OAQYLSRUSA-N 442.545 0.980 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1Cl 1778849316 DBKWVPMHLCPOKN-HXUWFJFHSA-N 443.895 0.988 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1778970053 DMWIIPQGRZFSNT-UZUQRXQVSA-N 442.516 0.983 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1779064960 LFNKMHHEJPPLPB-CYFREDJKSA-N 441.528 0.938 30 20 ICED CN(C)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1779760184 FGBDUFSBNVJPCE-QFIPXVFZSA-N 428.537 0.873 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3c(F)cccc3n2)C1 1781320661 WFPGYLRVYKJPQQ-QVKFZJNVSA-N 428.420 0.689 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781481961 IYJGRFVNWVOHOQ-XMSQKQJNSA-N 432.521 0.740 30 20 ICED CN(C)c1cccc(OCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782011287 UMXXJNGYNLTMML-AUSIDOKSSA-N 443.500 0.733 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn(C(F)F)c1=O)C2 1782013370 IGNMEPOELFPQNG-JLTOFOAXSA-N 437.399 0.459 30 20 ICED CCOC(=O)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccn1 1782013573 XKEYMZPSPONCML-VGOFRKELSA-N 443.456 0.474 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C[C@@H]21 1783531834 ZMHPUPSCNGXXQD-FPHNRVOHSA-N 430.549 0.165 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1783900769 OENFOHLEXTXUIL-KZULUSFZSA-N 430.523 0.991 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1784748207 UJUXPOGSZXAWTJ-FQEVSTJZSA-N 435.502 0.202 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785371570 GQHGJOITUDOGEB-HTAPYJJXSA-N 435.521 0.723 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4[nH]ncc4c3)[C@H]2C1 1788272547 TXPJDYIDECAYBV-WBAXXEDZSA-N 439.520 0.833 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788572794 NLNWGNQUNOBHHW-HJWJTTGWSA-N 443.504 0.601 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1792536292 RJUZFMXFWSAKGR-HNJRGHQBSA-N 428.489 0.685 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1793596177 RDXONARIPHXMPN-FHKWWDDNSA-N 429.539 0.834 30 20 ICED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1793986915 LPVRBAINQHFAJC-SNIGYFDUSA-N 446.504 0.751 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)N(C)C(C)=O)c(O)n1 1796449819 FVVGRQMBTVNHCU-REGYPHIPSA-N 444.532 0.976 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798493140 WIZZOBIKQAVTNY-MQYATBHVSA-N 444.554 0.481 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1cc2n(n1)CCNC2=O 1798494717 KBJGTNNQRJFVRS-NOPNXLOXSA-N 444.492 0.407 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1noc(-c2ccccc2)n1 1799043186 KOXXMXGVKKLEBU-VPTLXERWSA-N 438.440 0.347 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(OC)c1O 1799662564 NGLGOHDLXMKJEV-ZXFNITATSA-N 432.473 0.651 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)cc1 1801781536 OZVCTCCCRQDNDU-NOAIIALASA-N 440.500 0.707 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1806768581 LITIZNAVKJFZDM-WIYYLYMNSA-N 447.557 0.831 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807149647 JADVPWZBUIGSSL-AYOQOUSVSA-N 428.537 0.894 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812532474 RBIFISDJYOIIPC-SIKLNZKXSA-N 433.505 0.417 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716893 HYPFQAQNZXUSFZ-QFUCXCTJSA-N 449.552 0.175 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)c1 1815686218 IAAGEHJMAKGJHW-ZDUSSCGKSA-N 438.473 0.936 30 20 ICED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819897820 CNLNDJXPFQSUOR-XALBSODFSA-N 449.537 0.424 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822685239 XMSAQVMTJMGSFX-XHSDSOJGSA-N 433.578 0.729 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1823748697 YNOPFPRIADOZIK-HPFMTEOYSA-N 427.505 0.862 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(C#N)cc1)CC2)C(=O)C(=O)O 1824673618 LNUHDJSFWHGGFI-CYBMUJFWSA-N 441.469 0.784 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)cc3)C2)C1 1829765414 WBYFJBWETMCXPH-HMLKYZKVSA-N 441.528 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccn3)C2)C1 1829766284 PUSBNUOOJGDDDU-XSAUMEDDSA-N 428.489 0.318 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830213475 IXHBZPLQHNDECQ-GCJKJVERSA-N 429.473 0.489 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243578 QKYIWPRORPMKDN-UZUQRXQVSA-N 446.500 0.438 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831201787 XPYVZJLSMSZWHI-IGPUNGKJSA-N 448.520 0.461 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1831398539 GKPDTHSKRCTNIA-QRQCRPRQSA-N 444.463 0.810 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831398750 KGBLQBIZFGCMBG-MBSDFSHPSA-N 425.485 0.975 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)c3F)C2)C1 1831402866 TZYBCDMTZAPRGH-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833473601 YMWMYYWOEUIFSQ-KRWDZBQOSA-N 446.548 0.464 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccno2)CCO3)c1 1834152175 XUQBXDFNVKWYSL-NRFANRHFSA-N 426.429 0.939 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1834768046 XVUANQZSOYFKQC-JOCHJYFZSA-N 438.440 0.100 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834959388 HHKILQKTUPVZPX-VGSWGCGISA-N 434.464 0.699 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1835514081 ZNZLWBYVQPOIMK-LJQANCHMSA-N 435.481 0.394 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835765285 NTDQAGZVEKYBPZ-QHCPKHFHSA-N 434.581 0.402 30 20 ICED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1836559855 JNCGQGZLHVLTFQ-SLEUVZQESA-N 441.623 0.679 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)CC(=O)N5)CCO3)C2)c1 1836789480 FZTPBGOWWPGDMB-QHCPKHFHSA-N 449.467 0.765 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836856099 PNICSNWYRBWFMN-QGZVFWFLSA-N 445.516 0.338 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837011218 OWIOXIUOLTUJPS-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1837394652 GOHXDUZLDBBJMG-AUSIDOKSSA-N 446.548 0.791 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441760 CVPMEBSFLKWJBU-BHSKHCGUSA-N 448.568 0.196 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525470 WTSYHZISTRGENI-YRPGDMADSA-N 436.465 0.582 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837530071 HYBZFUCNSPYBKV-CMEFWWCBSA-N 448.476 0.386 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968708 GVMUMYNLIRCWBM-MHRHTVJOSA-N 434.493 0.314 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838791482 BJWCHIAETAUSQC-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1839175869 JKJXOJWFDONSKH-JTSKRJEESA-N 448.520 0.718 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1839361049 MXQKZNJMKCEWSZ-QFIPXVFZSA-N 442.472 0.275 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489336 XTLMJHBQASPVCC-JOCHJYFZSA-N 449.471 0.850 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5CCOC5)C4)C3)c2c1 1839489515 ZTQNFSXDOHKGCM-AOMKIAJQSA-N 439.472 0.541 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839889346 PNFXKTHVZULWRA-LJQANCHMSA-N 425.432 0.667 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C)C3)C2)cc1C#N 1840763043 DUXIADFAWYXJJA-HSZRJFAPSA-N 444.532 0.977 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C)C2)C1 1840908824 IBOVYTBYMFYYFX-XFKNCTKQSA-N 435.521 0.936 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1841746381 IABMOAYKTYAQOR-HUUCEWRRSA-N 437.541 0.252 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808456 BTWXJQCWVZOQPX-AWEZNQCLSA-N 436.472 0.979 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C1 409569687 IHLWNWHKNMFKSD-WBVHZDCISA-N 442.563 0.666 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 410398715 AMHYMKUPCSJXQN-OAHLLOKOSA-N 442.542 0.072 30 20 ICED CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 430253775 ALFORXIRZLTIQR-OAQYLSRUSA-N 426.477 0.913 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1=O 440257606 PLYAGABCMQJGGN-SFHVURJKSA-N 443.504 0.141 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)c1 443668983 MVFXSSDVHYLORG-UHFFFAOYSA-N 445.566 0.643 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 473390236 PIMSLBJWALMICO-HXUWFJFHSA-N 439.516 0.052 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 474848323 GUFUOLPYBVWSEW-UHFFFAOYSA-N 435.466 0.240 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3cccnc3)c2=O)n1 479383326 CEXWMFMRPARUEG-UHFFFAOYSA-N 449.536 0.979 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 480790761 YODRYEHPOQYLOR-FKIZINRSSA-N 441.469 0.918 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O 500012882 OVLHGRQYKGOYOE-LJQANCHMSA-N 431.512 0.627 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(F)c2I)n1 508357896 KZOIRGBPCBVBBP-UHFFFAOYSA-N 428.165 0.648 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 508943750 ZJXDBFOSDZMMDH-UHFFFAOYSA-N 435.488 0.098 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1 510237069 OCVAVWQGOYJFKK-QBPKDAKJSA-N 448.615 0.682 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 512110507 SLNCLEJHBQFMML-QWHCGFSZSA-N 431.449 0.857 30 20 ICED C=C(C)CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(CO)o1 512169501 OUGUCMXMVVYZSW-KRWDZBQOSA-N 425.551 0.481 30 20 ICED CCN1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512764202 CDKCMFFOZVVSHW-UHFFFAOYSA-N 427.484 0.965 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 514966116 OTSIUBUAAXDCIQ-QUCCMNQESA-N 447.967 0.648 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 518992465 ZXPXJVKLZOXNIA-UXHICEINSA-N 428.533 0.788 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 524282790 KYLPDYWSRKBYIL-UHFFFAOYSA-N 439.324 0.730 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)o1 530538435 NWVMFJQNSAIXNH-UHFFFAOYSA-N 427.552 0.566 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 532506807 IQQUTFFTSPFVDK-PKOBYXMFSA-N 433.578 0.852 30 20 ICED CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2cccnc21 540866685 XRGYGWCFDCIBNS-UHFFFAOYSA-N 440.529 0.743 30 20 ICED CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 546146308 BZHYKJYZRINEAV-HNNXBMFYSA-N 428.518 0.926 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 557306734 WCCVAMHOFDWRJV-URKNILKWSA-N 444.517 0.437 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)CC1 559311643 ZTBBENCONWYLLO-ZWKOTPCHSA-N 429.550 0.878 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N 569124409 CUPUBVJYCXFDAQ-HUUCEWRRSA-N 436.604 0.254 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)c1C 570902603 DPCNGNGNWZVGEM-UHFFFAOYSA-N 428.518 0.978 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 576556545 XMSIJALEWSGUNA-LUVWLHFXSA-N 445.439 0.001 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)CS(=O)(=O)CC 577912049 ITTLRLFLTIWENN-MAUKXSAKSA-N 448.545 0.842 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)N1CCOCC1 578463911 WHXJIJKVHKEJBM-QGZVFWFLSA-N 447.923 0.614 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 579296860 TWOKQNLTOYGMKQ-UHFFFAOYSA-N 427.486 0.319 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2=O)cc1 586838256 NIMSKDCEDHRWMM-QGZVFWFLSA-N 433.459 0.621 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 589414914 LHGVZYKIYXTNBH-OAHLLOKOSA-N 427.486 0.331 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 615338975 YFURRLYBURMJFM-SFHVURJKSA-N 439.472 0.836 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1CCOC 731233391 YWDKSUBCKWOSHF-UHFFFAOYSA-N 449.536 0.606 30 20 ICED CCNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 731753677 PBLQTRIKKVCBBE-HMMYKYKNSA-N 431.540 0.560 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 733150219 FKYLBQMRXCJOJV-HSZRJFAPSA-N 439.516 0.046 30 20 ICED N#C[C@@H]1C(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)=CC(=O)n2c1nc1ccccc12 734838056 MBVMQPDAUTXQPR-HHXXYDBFSA-N 441.513 0.311 30 20 ICED CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749753326 XPICOMKDRMRZOQ-FJGOLAJPSA-N 442.563 0.668 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)c1 755002840 BCRPJYVMKQSFOR-UHFFFAOYSA-N 448.526 0.572 30 20 ICED COc1ccc(CN2C(=O)C(=O)N(CN3CCN(c4nccnc4C#N)C[C@H]3C)C2=O)cc1 756875654 JBIYLUYILXXYQR-OAHLLOKOSA-N 449.471 0.816 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nc(F)c(F)cc2F)CC1 758337463 MUJLMSMDGAZGCZ-UHFFFAOYSA-N 439.419 0.886 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 758454401 LCEDHSGWVUKJOL-UHFFFAOYSA-N 442.335 0.440 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 766986983 OCYUQLOWUZDHPJ-UHFFFAOYSA-N 426.476 0.274 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1 767670742 KFPFHAUIKKPJGZ-ZDUSSCGKSA-N 437.499 0.658 30 20 ICED CCOC(=O)c1nn(C)cc1[C@H]1NC(=S)NC(C(=O)OC)=C1C(=O)c1cccnc1 769854204 KYUJKURDTGUFSU-CYBMUJFWSA-N 429.458 0.821 30 20 ICED CCc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)co1 772384837 RLGNAOWAXNRXHA-UHFFFAOYSA-N 432.458 0.799 30 20 ICED C=CCNC(=O)CNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 776736325 ZPUGSAULRQUXLX-UHFFFAOYSA-N 432.955 0.950 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782248294 RAFBHGYCNKAMLM-UHFFFAOYSA-N 441.465 0.441 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 792142743 CZDPBCZLZAOZTI-FQEVSTJZSA-N 428.489 0.481 30 20 ICED CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)Cn2nnnc2N1C 798281427 LJBJELPWSQPFAT-PGMHBOJBSA-N 430.494 0.848 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 800754454 JXXBLQNRWKYIJQ-UHFFFAOYSA-N 432.414 0.951 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 807067008 SHLPQFMONZKBJC-PKOBYXMFSA-N 449.511 0.900 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 807299160 KLXSYYGTIJOVEP-AWEZNQCLSA-N 425.482 0.906 30 20 ICED Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808237621 YXTIFACXTBEYAQ-RTBURBONSA-N 434.500 0.915 30 20 ICED CC(Cc1ccc(F)cc1Br)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883686 WWEJFLCNWRHATR-UHFFFAOYSA-N 447.286 0.883 30 20 ICED Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 899869026 PVZCTQAJXSAJSO-UHFFFAOYSA-N 428.470 0.952 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 916199566 IMDCIDWXMCAQER-UHFFFAOYSA-N 427.526 0.535 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 917804177 FEUSYSTZEQZTRH-OQKWZONESA-N 447.517 0.779 30 20 ICED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(C)C)CC1 919315429 GPMAMHXUZUFJPC-FQEVSTJZSA-N 449.529 0.732 30 20 ICED Cn1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC23CCOCC3)cn1 1183496418 YUFJPDMLABWPRA-LJQANCHMSA-N 443.529 0.993 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1302979407 PWAHGUROEFIPAB-HNAYVOBHSA-N 447.496 0.650 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1502382442 WTSVEHBOSXYYRC-HOTGVXAUSA-N 428.541 0.568 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1503634730 VZVNIHFSQUGFSP-UHFFFAOYSA-N 425.536 0.732 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 1541942979 NMVQXAFDACOLEQ-HOCLYGCPSA-N 437.570 0.370 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617431486 FSJQZJRBQPVFGC-GZYQQGLQSA-N 440.595 0.125 30 20 ICED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1619900271 XZUNKRFKECDDBS-GCJKJVERSA-N 440.504 0.905 30 20 ICED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(=O)n1C 1693091472 PHBHJRASNQVQNT-AWEZNQCLSA-N 433.538 0.684 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1694780803 MZOIKQUUNPGDJK-DOTOQJQBSA-N 428.518 0.966 30 20 ICED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712470782 UGDYBQGKCIDNPQ-WHSLLNHNSA-N 429.525 0.854 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740822684 NSTVWGFWCYOKSO-UKRRQHHQSA-N 446.961 0.421 30 20 ICED CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748272791 IOJICIAHYCJCMC-UHFFFAOYSA-N 436.524 0.660 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1764568953 SNDUDMGBORJCGU-UHFFFAOYSA-N 425.493 0.638 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1779323713 QEXLIFPCXLJOBQ-WPVDLGPGSA-N 427.505 0.570 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783339324 LETLRMDJCHJFIZ-AUSIDOKSSA-N 430.501 0.929 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1783676073 GAJNTJGQFMZWGB-FHWLQOOXSA-N 427.505 0.617 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1784011496 MCIXYVKVOPITHG-CVDCTZTESA-N 430.501 0.728 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)cc1 1784804325 WYKWPSTVASPGNZ-FHWLQOOXSA-N 436.468 0.467 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c(O)n1 1785774136 PEAVPOXWGBKRFO-FZDIXFNVSA-N 442.516 0.778 30 20 ICED Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1785851696 WCASLZSVAJRYQV-ZVZYQTTQSA-N 426.452 0.662 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C[C@@H]21 1786364337 SSOIUCHUCUACOI-MVJTYMMSSA-N 430.530 0.990 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788573995 YRLYREPGXOTOLV-CYDGBPFRSA-N 445.442 0.990 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788678857 PZGATQCOEQLWMH-GEYUMRBSSA-N 437.460 0.430 30 20 ICED C=CCC(=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 1789810013 NNXHQPHPNWHAHE-ATIWLJMLSA-N 437.537 0.770 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1789891929 ZLJPKDKGAFOBJT-OSAWLIQMSA-N 440.493 0.091 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21)C(F)(F)F 1790880587 FRYCVZHFFSNEES-RFGFWPKPSA-N 441.472 0.412 30 20 ICED COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796687733 XFUQPIYPEXZPSA-YGLWEKIVSA-N 436.465 0.553 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1797730527 LKMNOWNZTVEZQW-FAQVEIGNSA-N 445.592 0.552 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1797812311 PSXIUNFWPSNQTM-WIHHOWHQSA-N 442.476 0.462 30 20 ICED NC(=O)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798492197 WXAOXFHHRIBLJI-QDGRBWDCSA-N 429.477 0.961 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)c(C#N)c1 1800031920 AFWDBJBVAHYWFS-SFNKJDCFSA-N 427.505 0.340 30 20 ICED 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 1800983924 APQYOIQJVMZSJV-UXXRCYHCSA-N 430.571 0.136 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808869181 MPWMGLWXPRWOCO-CEQIKUNHSA-N 441.488 0.813 30 20 ICED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1809298068 UBQGFAJWSAFQSB-HSZRJFAPSA-N 425.529 0.920 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNC(N)=O)[C@H]3c3cccnc3)c2c1 1814227162 AHROQSISEMWWFQ-MGPUTAFESA-N 446.471 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 1814518316 SOSSXRKAXOCMRJ-AYPLEAKFSA-N 428.493 0.786 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819900231 HQYJFSSGXASEAO-ZUCCXTIZSA-N 437.478 0.693 30 20 ICED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn2[nH]cnc(=O)c12 1820121302 NHSBWTFKWAVPBD-AWEZNQCLSA-N 437.416 0.448 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821470341 ZNTUGYFLMYVIPI-VTGBELTLSA-N 429.506 0.924 30 20 ICED C[C@@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828948436 JNCCNAIFMQBWKH-JTSKRJEESA-N 427.505 0.947 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634806 YUANBYWQYYLRGP-VGSWGCGISA-N 428.489 0.082 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccc(Cl)c1)CCO2 1830282532 PQVTXGCLGBAYKF-FQEVSTJZSA-N 436.848 0.263 30 20 ICED CC(C)(Cc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830555090 GDXHNHQTYALDPU-HSZRJFAPSA-N 428.485 0.800 30 20 ICED Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1830917125 JIECNGVRWMYALX-HSZRJFAPSA-N 443.548 0.671 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831020002 LZDOMASRPRWODE-OAQYLSRUSA-N 428.445 0.080 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831386328 FEZJQCQNGKEXDC-JTSKRJEESA-N 431.489 0.127 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1831402197 QFYIJAIAJCBMPN-HOYKHHGWSA-N 442.512 0.659 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831425389 CYIHYVDMEQYDLZ-VGOFRKELSA-N 432.521 0.809 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831425411 DBFAFBXRVMBMPO-IERDGZPVSA-N 429.477 0.390 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831614936 ADFAIMAJNONQNQ-SAHWJRBASA-N 442.516 0.895 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1833469233 MWAMRTAPOXJSHD-QFBILLFUSA-N 439.578 0.174 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)[C@@H](C)CC)CC2)CC1 1833493541 NYMNDFMAIGJMBM-WJBDPIGGSA-N 434.581 0.823 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833506087 OZCVJXLELQRXFD-FFCJBUTOSA-N 443.460 0.267 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833556852 RTXYUEIIEOHWEE-VZBSEDMKSA-N 439.900 0.870 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1C(=O)O 1833609194 IFGSHAVDECPMLK-YJYMSZOUSA-N 440.522 0.551 30 20 ICED COc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1833737181 ZOKHRXGLYKYNJE-UHFFFAOYSA-N 442.516 0.682 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c[nH]c1C 1834756373 XYMVOAQZDWWEIF-QFIPXVFZSA-N 446.504 0.803 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835098525 MJNNOEKECDTGKP-HSZRJFAPSA-N 437.452 0.615 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102426 RTILAWVVRLFZBI-GOTSBHOMSA-N 444.484 0.110 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5c(F)cccc5n4)C3)C2)CC1 1835346618 KQCGHLGLPNNDAJ-OAQYLSRUSA-N 427.436 0.847 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835410679 NAUSRYCGHDZTNX-JOCHJYFZSA-N 426.473 0.251 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835665818 JIZOKRYNDVKTCO-JOCHJYFZSA-N 432.496 0.696 30 20 ICED CC(C)(C)c1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)[nH]n1 1835936551 NRSGROUDJFYIKN-UHFFFAOYSA-N 429.521 0.980 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837486459 GNLKEFFGPPPVCA-HSZRJFAPSA-N 442.516 0.174 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837488550 JVCAJQCETCABDP-QHCPKHFHSA-N 444.484 0.408 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS[C@H]3CCCCO3)CCO2)C1 1837501535 LWHBKDBNGKWMKP-LMNJBCLMSA-N 440.562 0.741 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837560094 JJFHUYPHNTYMPP-WHEDMDOKSA-N 446.416 0.970 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838400358 FPABZLNAERZKBY-RXVVDRJESA-N 447.576 0.406 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839172623 WVIUGXVUSWSAQR-RXVVDRJESA-N 436.461 0.279 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839175222 VRYKAJUNOODIAD-WENCNXQZSA-N 444.550 0.111 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1839361710 ZRFDYDSYLIKBNC-HSZRJFAPSA-N 435.484 0.855 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420055 KCCUPYSTIRFIKQ-NRFANRHFSA-N 435.452 0.430 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839694402 LRKSOARUVCWICC-QVKFZJNVSA-N 434.562 0.158 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1839809132 GHOLJNYWYYKWLW-FGZHOGPDSA-N 431.464 0.267 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1839809944 VRSIGKRZSJJQII-LJQANCHMSA-N 437.290 0.787 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839890430 AZNGOVRIODESAZ-INIZCTEOSA-N 431.465 0.565 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1)C(F)(F)F 1839895088 JKQFXTXLLHFISI-GOSISDBHSA-N 429.395 0.905 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c1 1840420298 GTROJKTVALMFNT-VGSWGCGISA-N 438.488 0.789 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840445964 WITKXRRZAFAZBW-JOCHJYFZSA-N 438.488 0.239 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn1 1840466231 UBPCNSNFTOFJSD-JOCHJYFZSA-N 441.463 0.744 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840882006 ZXKBMFMETGHDEB-XOPAWIAISA-N 430.457 0.686 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1840908483 BWBRXQHYAQWYFA-HRAATJIYSA-N 439.509 0.006 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841133430 GJDVNBJOMLDGDS-OAHLLOKOSA-N 437.541 0.930 30 20 ICED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9557272 DUKMSQAAWFEXAX-UHFFFAOYSA-N 426.451 0.319 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C1=O 115002695 URIVZBCJCWCNOF-UHFFFAOYSA-N 437.250 0.789 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3CCN(c4ncccn4)CC3)NC[C@H]2C1 304992960 DSNIWBSUHMXUGO-SFHVURJKSA-N 444.584 0.869 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 430397949 XFYOAGSTZFVEQU-PZJWPPBQSA-N 428.533 0.544 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1 440372483 FGENEOUWXQYFRH-UHFFFAOYSA-N 432.461 0.726 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 445616394 QVOJZIYXCFUHPI-UHFFFAOYSA-N 447.499 0.972 30 20 ICED CS(=O)(=O)NCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 463202295 KXUSZVIOYYBZQI-INIZCTEOSA-N 425.580 0.471 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478417550 NSRHVOKENRZJBO-UHFFFAOYSA-N 438.531 0.943 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cc1 498423025 LYTXLXFSEPQVGK-LJQANCHMSA-N 448.483 0.663 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2=O)cc1 505282284 XVULRWYNKXNGFL-SFHVURJKSA-N 449.471 0.284 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 509255407 PKSHLNREEOHUJO-UHFFFAOYSA-N 427.464 0.573 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@H](C#N)C2)c1 519273266 PYURPKZRLJXKKA-MRXNPFEDSA-N 436.534 0.918 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1 520077020 SETXBVCECWYDLB-INIZCTEOSA-N 436.534 0.806 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cc1 520573170 HDLGXWHBWQVVEV-UHFFFAOYSA-N 430.486 0.847 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 540348178 MFBSDDUZSGGEOV-HXUWFJFHSA-N 433.578 0.961 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 545892400 NMERHQJLVMGEES-LSDHHAIUSA-N 430.490 0.858 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 549291947 NJTPUQXVVCXYNB-OAHLLOKOSA-N 447.565 0.890 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 550277575 SYMBIXUKLVVXMC-UXHICEINSA-N 441.532 0.643 30 20 ICED C=CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 553275997 CJDLJDXUSAYSPF-HLLBOEOZSA-N 439.538 0.726 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 558963546 OKFUVCAJUYJRNZ-VXGBXAGGSA-N 438.476 0.969 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(CN2CCCC2=O)cc1 559739777 BHQFUZUEMLWWTM-UHFFFAOYSA-N 437.504 0.693 30 20 ICED C=CCNC(=O)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Br 561668672 SXXWYCMWHKRDSI-UHFFFAOYSA-N 433.328 0.719 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N2CCOCC2)o1 564106063 DPOWUYDXMLOHHS-KRWDZBQOSA-N 443.508 0.346 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(C)C 603801239 ZNJXITSVJXOXGG-UHFFFAOYSA-N 443.525 0.618 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C 604269914 IRNQQJYPDVTUBY-UHFFFAOYSA-N 426.542 0.726 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 610290330 RBHDFPQKMRXEDG-JOCBIADPSA-N 439.472 0.625 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@](F)(C#N)C2)c(O)nc1=O 615663501 FAJIBJALILGKOK-IBGZPJMESA-N 438.460 0.165 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 741007325 FMXZMCXDDQOXPZ-NRFANRHFSA-N 448.545 0.653 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccn2C)C1=O 743736220 LTJLVUJPCBHLRH-QKDOTCOFSA-N 449.558 0.809 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1ccc(C#N)cn1)CC2 743884197 NHTPBXUWKAUKOH-UHFFFAOYSA-N 442.501 0.369 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CN1CCc2ccccc2C1 746217794 CSUYRWUXYOESRN-GOSISDBHSA-N 442.541 0.651 30 20 ICED C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 758061926 LEVKSIRPMBQCHW-UHFFFAOYSA-N 439.449 0.951 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)(C)CN(C)C 763460510 LTIBSUSGDAJVBI-UHFFFAOYSA-N 445.589 0.102 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCOc1ccccc1 767681964 ULDCHKWDPDSBIY-HNNXBMFYSA-N 431.470 0.963 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)CC1 770949098 AFGROFZXCHKYIC-KRWDZBQOSA-N 426.546 0.862 30 20 ICED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 779546851 MQTDMSZJFGEDQJ-GNUWIVDASA-N 449.533 0.550 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 780318276 VQLSPSAOZKZAEO-CQSZACIVSA-N 446.489 0.657 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2scnc2C2CC2)c1=O 782699452 BKDOVNPQSCEGCN-UHFFFAOYSA-N 448.570 0.546 30 20 ICED C[C@@H](CC(=O)NCC1(S(C)(=O)=O)CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 803585202 HICILEXEJNRAKR-ZDUSSCGKSA-N 427.548 0.977 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)c1ccncc1 805808647 VZZVTAZXLSNIBI-QZTJIDSGSA-N 438.550 0.714 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 811468917 NWTRBUPCSVKEDX-UHFFFAOYSA-N 439.519 0.415 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2sccc2C#N)cc1 815542667 OJLNVVBSQBWPGP-UHFFFAOYSA-N 435.483 0.962 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1CCOC 818225150 ONHHGADOFJBBQB-UHFFFAOYSA-N 438.509 0.370 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 918970550 WURGZGYNYYVFKZ-UHFFFAOYSA-N 435.502 0.389 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)o1 919525330 KTDXRZFRBGZIQF-UHFFFAOYSA-N 440.460 0.924 30 20 ICED N#CCN1CCC(NC(=O)Cc2ccc(CC(=O)NC3CCN(CC#N)CC3)cc2)CC1 1116597736 OYSIOOKCKJKLOL-UHFFFAOYSA-N 436.560 0.980 30 20 ICED CN(CCNS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1251837031 QQZUELZMFNJJFM-XDJHFCHBSA-N 431.540 0.512 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1288816272 LBTBOSJGBVIGHM-ZIAGYGMSSA-N 444.583 0.453 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1499329855 TYIBRVZHLXUUJD-XMSQKQJNSA-N 439.520 0.510 30 20 ICED CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552398653 DEUIWYIJZQPBFZ-DLBZAZTESA-N 437.570 0.636 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1555807538 YIXMYQWFERAZDO-MRXNPFEDSA-N 437.547 0.875 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1611696674 KDUVJOFACVDZJM-BBRMVZONSA-N 432.572 0.453 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C 1617906749 ILWHRASRJGOFLT-UHFFFAOYSA-N 445.549 0.800 30 20 ICED COC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)nn1 1622011664 LBCVPGSDJJZIEX-UHFFFAOYSA-N 426.252 0.944 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1640664996 PQYPPMKAEFUMCX-UHFFFAOYSA-N 439.441 0.702 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1706075247 LGEUXJWDNYHLFD-GDBMZVCRSA-N 431.522 0.804 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1722477716 KMHLGFSBNGFNTF-NSHDSACASA-N 437.364 0.758 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1741946257 ZGDAMGHAWMSOIF-GJZGRUSLSA-N 439.542 0.020 30 20 ICED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1761954876 IWEYTJBAFVSAFD-QGZVFWFLSA-N 444.565 0.717 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778626 PFZRKKKKMCAGSD-OBKNTDCBSA-N 442.476 0.930 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779103898 DDASLKDZKKRCEN-FFEBISOMSA-N 433.408 0.455 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779318334 JZEWLSJDFYUTJX-DENIHFKCSA-N 446.479 0.221 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)no1 1780697706 UMOGBXRSFCWKLM-JOCHJYFZSA-N 437.456 0.728 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169986 IPEGNBLHYILFAT-QFIPXVFZSA-N 430.505 0.990 30 20 ICED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1781470819 ZBBXOCIZJACUGY-IDHHARJASA-N 430.640 0.939 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1781738816 KYXUYBOJEMSIHE-KKLQWCBXSA-N 434.581 0.877 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782234097 GTAOGIZOEKIIMZ-HBUWYVDXSA-N 435.443 0.770 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)ccc1O)CCO2 1783566036 WWNVZZDJDJPGGW-GOSISDBHSA-N 437.246 0.686 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1784505903 ZCDAQBOUIBTKFU-IHXHSXLNSA-N 447.536 0.028 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cccc1=O 1785869665 NCTPUDJUCZOCLC-BQFCYCMXSA-N 429.521 0.260 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365312 FTXJGUFNBSVILC-WOYTXXSLSA-N 436.509 0.250 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)c2ccccc21 1786702875 UIKWFJCQBZMMAG-BXWFABGCSA-N 425.489 0.623 30 20 ICED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601056 HMJRJFNVFVAYMX-XXQLFBPNSA-N 442.520 0.246 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n[nH]4)C[C@@H]32)c1 1789255827 LGTYEOBSNWADGD-OWQGQXMQSA-N 425.445 0.903 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1792172179 QRTPNMLRMPJWHR-MPGHIAIKSA-N 448.483 0.578 30 20 ICED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1792184732 GXXUZGOERXVNFM-KIZRCPAZSA-N 432.521 0.983 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1792490407 ROLQGSZMFXEVAW-MFJYXUCDSA-N 427.501 0.038 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)cc1)C2 1792490974 WQLWCQWVPINRNJ-YTRCMYEKSA-N 449.511 0.934 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)[C@@H](O)C1 1793261187 AFHMAPRCRBDSJJ-STEXWYFWSA-N 447.532 0.217 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793819232 VYRLSJHDOVLEFY-PEGIJTEDSA-N 428.404 0.850 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794084456 UQOBHSMBVUNQCA-BJWYYQGGSA-N 428.876 0.882 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)cn1 1794158299 QSZPMQHXWHTDCF-KSPBDQMDSA-N 436.262 0.064 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)C[C@H]1CO2 1795085326 FEPYANCOLKNWDT-QZDIBKHGSA-N 434.493 0.268 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CN(Cc4ccccc4)CCO2)C3)CC1 1795408839 QLYUKJKWFYLPOE-PLACYPQZSA-N 438.528 0.781 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c1 1795775924 YBGQCDOHZUUFPF-OPMZPASUSA-N 436.468 0.632 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784808 OFVIRRYZFNLDGB-RMFSNUHRSA-N 432.517 0.784 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O)C(F)(F)F 1797792893 GJDJIMGQFBWGRM-LXTVHRRPSA-N 436.383 0.189 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799355511 GMVFFXIMPQADLZ-AQZZDKJRSA-N 426.311 0.362 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnn2c1CCC2 1799963526 FQJXXZILLFCRGN-UPHUGPLXSA-N 426.517 0.731 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1800109808 PGGOOSYVWCNMLO-BJWYYQGGSA-N 441.550 0.560 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1800453763 MKQOSVPCBPRKDM-DBHNTLKXSA-N 438.532 0.490 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@H](O)Cc1ccccc1 1800634592 LPOABDFDHLDNSE-VGVLQIMTSA-N 425.485 0.892 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805289034 WMUBVLOPKWROFX-IVZQSRNASA-N 437.537 0.998 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810252180 HKIJMTKRPXRRLZ-FIKGOQFSSA-N 440.500 0.586 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2)C(F)(F)F 1825264641 IHLMSFRCTDNCIS-BONVTDFDSA-N 434.440 0.824 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)C1 1829669381 WTEDTVZSLHDOPH-QHCPKHFHSA-N 439.468 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)no3)C2)C1 1829768691 DXAVMRXNVYOMHI-LXHZQTKUSA-N 446.504 0.726 30 20 ICED COc1ncccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209164 IVBOQSZZQFNFPS-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831391726 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1835767515 CDTPDLASSGJHIN-STZHKLFZSA-N 449.552 0.366 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(F)cc34)CCO2)C1 1837039621 UUGXDTAWHQZGLF-IVZQSRNASA-N 444.463 0.810 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837207520 AVCKUAYDCJSAKM-IERDGZPVSA-N 441.525 0.500 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[S@](=O)CC)CCO2 1837235076 OLFNSIYBDMWISQ-ACSYHNTCSA-N 430.567 0.584 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527718 UCEYMXMKSWWLFX-CRESJJQNSA-N 440.541 0.360 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CSc3ncccn3)CC2)CC1 1837959820 XRNBDEFOBDFOIJ-UHFFFAOYSA-N 432.502 0.655 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838681095 YYIAILOJBPAQHO-WGAVVDLZSA-N 435.481 0.317 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838736240 SLNCEJLFTVUXRB-NRFANRHFSA-N 442.476 0.113 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839041076 QHXZGOWVCXONAT-JOCHJYFZSA-N 441.488 0.892 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1839173425 PCBJRAPEPCRKKA-OAQYLSRUSA-N 435.477 0.871 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)c1ccccc1F 1839233370 AGVVRBDMRLZSFR-FGZHOGPDSA-N 446.479 0.547 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1839889147 FKTAZQJAIWIFEG-KBXCAEBGSA-N 432.468 0.362 30 20 ICED Cc1ccc2[nH]cc(CC(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840041162 VXKUOIUOULVCMQ-QHCPKHFHSA-N 439.468 0.563 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840232333 UQZKYKNMDUBFLW-WMZHIEFXSA-N 440.500 0.349 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cnnn1 1840478812 BYIJZQUNUZSJOH-XOBRGWDASA-N 443.439 0.015 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1840716769 SIBWLUXHALEPTI-BVZALQNUSA-N 440.500 0.520 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1841054799 FEVOYOYHEIDNLC-PLNGDYQASA-N 427.486 0.431 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843037382 CIJFGRKSFLMSTB-QGZVFWFLSA-N 442.516 0.968 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1843168990 KRZNIVPDBMKWJO-CYBMUJFWSA-N 438.410 0.382 30 20 ICED N#CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C1 1847000322 WWJKGCHTQMDPTJ-ROUUACIJSA-N 426.473 0.875 30 20 ICED C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 16064392 BOLQHBJXSKLZFM-CQSZACIVSA-N 431.470 0.875 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)c1 29446049 SNPDPYARNXMHKV-RBUKOAKNSA-N 447.561 0.270 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCO1 409478735 SVHBOWQWZZIGBI-BXUZGUMPSA-N 429.296 0.391 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 410030465 QDPRORPLIPGXRT-UHFFFAOYSA-N 434.499 0.352 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426825164 PSFSAKACPICKAQ-GFCCVEGCSA-N 428.478 0.795 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@H](C)O1 435435122 AGRPAJWHVNEHBT-STQMWFEESA-N 434.565 0.280 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437027038 QZYSGJYGDIOZJI-OXJNMPFZSA-N 430.505 0.993 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)c3ccc(Br)cc32)C1=O 439289803 PLFLKKOWMPLATO-UHFFFAOYSA-N 435.234 0.502 30 20 ICED COc1cc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc(OC)c1O 460615147 QKYXMALGTIKANB-UHFFFAOYSA-N 436.428 1.425 30 20 ICED C=CCNS(=O)(=O)c1cccc(-c2nc(CCN3CCN(CC)C(=O)C3=O)no2)c1 460836025 JEWVHGLMRKGPKS-UHFFFAOYSA-N 433.490 0.434 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 471357740 KGADRQVWOISOJN-IBGZPJMESA-N 437.500 0.927 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1=O 476324466 NPPYGRBPLXZDCK-UHFFFAOYSA-N 436.827 0.740 30 20 ICED CN(C)C(=O)COC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 482254619 UKNLZKKANGEPLM-UHFFFAOYSA-N 434.518 0.275 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 482457624 SZNZPOYPVWYOCH-GXTWGEPZSA-N 437.503 0.420 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSC 505685041 VILQFIZTXWUIHC-UHFFFAOYSA-N 449.602 0.361 30 20 ICED COCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 508669185 IAHPAQCFNVDMRG-MSOLQXFVSA-N 434.518 0.899 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 512923464 UTIWYJDOIPTJCC-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 520224955 KPROUAVZRUUYCB-UHFFFAOYSA-N 427.486 0.841 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 521553697 DWQRAAKPVCYMNV-HZPDHXFCSA-N 438.550 0.657 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 538180463 MFTXVKCKAWOWGK-WMZOPIPTSA-N 449.533 0.210 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 539452555 CNXIXIBWQCZZGI-MOPGFXCFSA-N 437.541 0.548 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1 542005290 YTNRGAIYHUTGBU-UHFFFAOYSA-N 427.482 0.124 30 20 ICED CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 551042744 JNBPJOGYYOIJLV-LBPRGKRZSA-N 429.296 0.752 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552289125 PHLZRMQLBCESOC-CVEARBPZSA-N 437.422 0.528 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 554435397 WTBLVDPULYZBOV-IBGZPJMESA-N 434.500 0.881 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)c1 565742364 CKBRMKRGWQXDTP-UHFFFAOYSA-N 432.437 0.027 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cc1 569892060 ITRRLYQTZRQZGV-IBGZPJMESA-N 426.498 0.843 30 20 ICED N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 578424179 BQSJUXSAAGREOG-UHFFFAOYSA-N 426.404 0.454 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603794252 BMADBZPWTFXOEZ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 606032443 WKFHFSBXZBFQIE-MRXNPFEDSA-N 444.536 0.992 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828541 AEKZJXVGRPBMGS-UHFFFAOYSA-N 449.448 0.155 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 610805110 WFBYCEQVXARTLV-KDOFPFPSSA-N 433.534 0.166 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 615154122 BYSDBOMYFTZIJR-UHFFFAOYSA-N 428.537 0.707 30 20 ICED CCN(CCC#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726199984 GXERULNIJNMLDF-UHFFFAOYSA-N 425.511 0.435 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 749667840 ZQNBFUNVJPMIQT-KRWDZBQOSA-N 429.521 0.297 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)cc1C#N 752381638 KUFUZZFCVFHXKV-UHFFFAOYSA-N 431.449 0.819 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCS(C)(=O)=O 755688520 AZQHYRXFUIDHMJ-UHFFFAOYSA-N 440.493 0.961 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 763460918 PICHRFZZDJETCV-UHFFFAOYSA-N 444.419 0.808 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cnccn2)c1 775203569 SZDAWEVGQCIHHV-JJIBRWJFSA-N 430.490 0.587 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2nnn(C)n2)cn1 783007435 UUDHEZHYZXXQMA-SNVBAGLBSA-N 445.431 0.627 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 801146397 QCPQMDXLIJPUAT-UHFFFAOYSA-N 437.493 0.448 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CCOC 806609474 BMGZFGYLCULXLO-UHFFFAOYSA-N 445.541 0.911 30 20 ICED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 807029347 DIUDUZLZRBBRTP-RBZFPXEDSA-N 434.424 0.397 30 20 ICED CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 808179480 MITOXJPTKBDWJU-HXUWFJFHSA-N 431.497 0.334 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815861631 RDIILBXEZBQLDA-NKFKGCMQSA-N 433.534 0.509 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)o1 915377603 SJDPWNFQOCTDKG-LIRRHRJNSA-N 433.490 0.501 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 917036672 ZEMFPGCXTMHYIL-SFHVURJKSA-N 430.486 0.778 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 919318425 HSQODQBSPQFCNB-UHFFFAOYSA-N 430.438 0.981 30 20 ICED COc1ccc(OCc2nnc(S)n2N=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1 920366027 JROPSXPVLWPMSG-UHFFFAOYSA-N 442.461 0.723 30 20 ICED N#Cc1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 1185603047 OBTJJJKUNFCION-LBPRGKRZSA-N 449.352 0.355 30 20 ICED CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298571017 LADZKXCHGPWOKI-UZLBHIALSA-N 431.518 0.839 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1301806836 VDKOFXSQORAAGY-HUUCEWRRSA-N 439.542 0.020 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1315737538 LEIHZCOTXWQQRS-ADAWSYLGSA-N 427.502 0.674 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 1324965261 JQXQALRZBOCYAX-DLBZAZTESA-N 428.445 0.802 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453960419 XSBKZBYHJDFVSC-AUUYWEPGSA-N 431.518 0.931 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1471539058 UWDRGFITXAXJQC-HXUWFJFHSA-N 434.562 0.386 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1503833850 STVGEPLUVSBGBH-SFHVURJKSA-N 438.485 0.953 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 1569093919 WLDUFPDZQNJYOB-IVMMDQJWSA-N 425.532 0.682 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1692785797 RJRRIOHANQQTTG-BLLLJJGKSA-N 429.478 0.173 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1694739408 PSXMMKDWABHAQX-LSDHHAIUSA-N 430.538 0.652 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1729352766 VDLVOBOGBODSAF-KRWDZBQOSA-N 428.518 0.966 30 20 ICED CC(C)NC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1741701918 RKPWAHUMCLOSLW-HOTGVXAUSA-N 439.524 0.683 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1767483812 PJTREMPJVBRWGO-GCJKJVERSA-N 448.568 0.894 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1779330636 OINVGLKIBHRZOS-BIZBXSGISA-N 444.594 0.754 30 20 ICED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779544713 RPXVUXAZQWBDKL-AWEZNQCLSA-N 429.218 0.371 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1779763118 ZVFXZQKHPKHGSQ-KOIKXXGWSA-N 427.505 0.450 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780028064 KIZPETLEEPUZFD-NRFANRHFSA-N 431.445 0.763 30 20 ICED Cn1c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]c3nccc-3c21 1780041000 SWYGEEKZTSOMFV-QFIPXVFZSA-N 435.440 0.538 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cccc(C#N)c3)C2)CC1 1780349739 DYKHAFHQAKJSCC-ZJSXRUAMSA-N 439.560 0.933 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(F)c2[N+](=O)[O-])C1 1781001874 IWVSPNBTLSISEU-FOIQADDNSA-N 433.392 0.949 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c(C#N)c1 1781174884 WTWSWZXEMSOHGX-WMZHIEFXSA-N 440.500 0.560 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295656 ZFWXLCLNKMGOPX-QRQCRPRQSA-N 430.480 0.984 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581170 LIWJVJMDEXTLCS-OAQYLSRUSA-N 425.493 0.683 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1783172068 YMOSGHNWEPRXGO-DYESRHJHSA-N 430.461 0.684 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1783768540 HBELVDUAPDTVED-ZOCZFRKYSA-N 438.525 0.420 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 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ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807608951 UGZQRKYZHAPALG-SJLPKXTDSA-N 425.497 0.056 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1808441835 ZNIYYWLRTOEZNB-DENIHFKCSA-N 444.532 0.929 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccco3)CCO2)C1 1829819762 NJRMEROQKVZRAC-LAUBAEHRSA-N 434.493 0.051 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1829902383 PBUXHDJQSRBGCI-FQEVSTJZSA-N 431.518 0.184 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3OC)CCO2)C1 1830223590 BSLGHOPOEVELKW-FDDCHVKYSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1831385750 FRZFURKNNBIWNV-JTSKRJEESA-N 431.489 0.589 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831396771 QSJGEZJLRLMISC-KUHUBIRLSA-N 426.420 0.387 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831405476 CDDIRJMVUTYEMO-NRFANRHFSA-N 436.509 0.482 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765233 TYSVGZZAYXUVCF-OAHLLOKOSA-N 441.479 0.368 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1834715558 AVBSTMGUBKQRGD-UHFFFAOYSA-N 444.584 0.522 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1835359256 ADSUAJFETGBTIO-JOCHJYFZSA-N 445.472 0.209 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836446993 FLSOJKARDAXYQD-YLJYHZDGSA-N 433.534 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1836859969 MZJBRIYBEROPPT-INIZCTEOSA-N 428.551 0.458 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837199732 PJRQXCPGTMPSFI-VFNWGFHPSA-N 444.492 0.829 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1837398981 LFLOJOKMDNPNQL-FDDCHVKYSA-N 446.548 0.791 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550337 ZFROMOYLROAPMH-YCRPNKLZSA-N 434.493 0.381 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837560228 UDOXTCOHVRAURA-HPARJBSBSA-N 442.472 0.872 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837625653 DTEGYPVCZCYIMH-HXUWFJFHSA-N 434.518 0.396 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636693 HCNHWTORZIAARH-UPWIVDSGSA-N 443.500 0.712 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837680349 IFNSVOZFILTIEA-CVDCTZTESA-N 447.532 0.849 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838305021 AMZXASMYKRVBAO-LIRRHRJNSA-N 426.901 0.735 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)n1cnnn1 1838551430 VTPJQPHDEQSMBQ-AWEZNQCLSA-N 426.481 0.746 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598116 PELNTRZTOYZXID-NRFANRHFSA-N 448.907 0.808 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)cc1 1838950181 MWLHVQGJMUKJQL-NZQKXSOJSA-N 435.484 0.723 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839162902 DLSFVYOGCIIUML-VLIAUNLRSA-N 434.880 0.416 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1839175246 WZQYAHLWFOIMJL-JOCHJYFZSA-N 448.520 0.562 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839223850 ARWBSZRFSIULLF-UWJYYQICSA-N 434.493 0.106 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4Cl)CCO3)C2)C1 1839424821 DNFZIWHTJMAFIT-OAQYLSRUSA-N 432.908 0.843 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840163462 HUNLUBONFRSEEF-BLVKFPJESA-N 449.489 0.859 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840361262 USZDXWIYGAFNBS-HRAATJIYSA-N 434.562 0.890 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436857 BWGJUYUYKDKTBK-XMSQKQJNSA-N 449.552 0.837 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497057 GGDKYQYEIARWJL-YVABFXQFSA-N 442.472 0.498 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840817251 OOSLZNPJHCPJQP-OAQYLSRUSA-N 436.509 0.615 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1840836103 YHWCRUQDWJVSRD-LYQKSFCXSA-N 441.484 0.978 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)c1 1843414516 ZQJIMPLFDGYHOA-UHFFFAOYSA-N 446.529 0.809 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)[C@H]2C1 1846197057 OKELTCWPNHDNHP-BZUAXINKSA-N 447.488 0.160 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c(O)n1 1848067573 NUIMFDWVMIEXBB-HOTGVXAUSA-N 427.461 0.273 30 20 ICED C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25172211 RZWGEHOWPHOHAZ-HNNXBMFYSA-N 441.513 0.991 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)no1 107930272 PVORBQSSZGDUIW-UHFFFAOYSA-N 445.501 0.552 30 20 ICED C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 410017800 UYDWXUCXUPXLRR-IIAWOOMASA-N 432.448 0.409 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 426245889 XLRZDUQBLMXTIS-JKIFEVAISA-N 429.477 0.809 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)C1=O 434301571 QQARAIJZNQFSFY-UHFFFAOYSA-N 426.473 0.657 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442003657 PNIIFRYNRDILIQ-HNNXBMFYSA-N 448.439 0.162 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 444659251 HEDPNVCSBFQOMA-UHFFFAOYSA-N 425.405 0.628 30 20 ICED Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)n1 446522693 LNBBPIISFCPWDA-UHFFFAOYSA-N 425.493 0.897 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1C#N 472887974 LMFKOWURXVXSLP-UHFFFAOYSA-N 435.444 0.113 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1 476964269 DGVXVCXSZRXBKA-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C3CC3)c2=O)n1 477032614 INWNORUGUJPHHR-MRXNPFEDSA-N 440.525 0.837 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)NCC1CCC1 482158223 PHFQDMQHZMDBOD-ZDUSSCGKSA-N 428.536 0.061 30 20 ICED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc21 482546755 CFZPDILNRRACHV-UHFFFAOYSA-N 440.464 0.021 30 20 ICED N#Cc1cc(C#N)c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1N 494664437 JFLUSTVEJMCLCD-CABCVRRESA-N 435.531 0.694 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502049868 NTUQHJZFIYKIME-UHFFFAOYSA-N 443.554 0.409 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 502305893 UQSGZWKUOHMOGN-UHFFFAOYSA-N 430.537 0.088 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1=O 503152548 OPMVSLFUENNAOK-UHFFFAOYSA-N 449.427 0.370 30 20 ICED CC(=O)N[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C(N)=O 503272487 ZODWJPASMLJKDA-JKSUJKDBSA-N 436.310 0.538 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505414901 MRWXFEHYZXSMBS-LJQANCHMSA-N 438.488 0.838 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCCO1 505698936 FBFMUMHCCQSWCO-HNNXBMFYSA-N 429.546 0.550 30 20 ICED N#CCCn1ccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 506652660 CXVLVKZAUPFSGH-UHFFFAOYSA-N 432.462 0.763 30 20 ICED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508997295 JHCKZCGXIGABDE-UHFFFAOYSA-N 436.524 0.818 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 512175687 QUTMIPMGNHQEEB-KRWDZBQOSA-N 434.543 0.993 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CCO1 542918203 YDDDYQLEVCWTGR-KRWDZBQOSA-N 442.432 0.968 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 555245571 KHGSZNNEPZVVAT-SJORKVTESA-N 438.598 0.793 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(OC(C)C)nc3)CC2)c1C#N 559819285 WQWSADQAEZOYBE-UHFFFAOYSA-N 425.493 0.747 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1=O 578177105 AZKOECCAMZUJHA-INIZCTEOSA-N 433.527 0.495 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2=O)cc1 582688283 WNCIHCPOLYQCPK-NHCUHLMSSA-N 432.480 0.894 30 20 ICED C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2cnccc2C#N)CC1 582761960 ZDADCMSEGSESSH-CVEARBPZSA-N 442.545 0.989 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 586841132 XKXMKYCFCGXVJK-CYBMUJFWSA-N 443.485 0.421 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 589439870 GWAOZBXDNZBBOU-UHFFFAOYSA-N 445.448 0.439 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC=C 592988087 KSGCWMHTHJFUJP-UHFFFAOYSA-N 436.472 0.621 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cscn3)c2=O)cn1 608884495 UHWFKWYJDFKHPK-UHFFFAOYSA-N 427.511 0.787 30 20 ICED COCCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611429008 XVASGVALDUYGAX-SFHVURJKSA-N 433.578 0.932 30 20 ICED CCCCCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 728104239 TWMNWEWWYNSNEJ-UHFFFAOYSA-N 426.495 0.652 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 728535698 CWVSSQAMFZSMSX-UHFFFAOYSA-N 446.573 0.614 30 20 ICED C=CCN(C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)[C@H]1CCS(=O)(=O)C1 731896577 MHXDMVANYRBHRN-STQMWFEESA-N 435.955 0.994 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(OC)nc1 732564192 JJRDXJSJLCMWDN-UHFFFAOYSA-N 438.513 0.548 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 741601490 BLDMVHOEVUSEMV-HNNXBMFYSA-N 442.497 0.521 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 744535399 UKFPQOVINUFUQX-ZFWWWQNUSA-N 442.563 0.419 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 747733447 SYJKSAKSRCJFNK-JRMCHAMMSA-N 436.512 0.778 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 761031852 DIXCBLCWWBVBQK-UHFFFAOYSA-N 442.542 0.415 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761154416 IPEAAZKJAQDYHS-OAHLLOKOSA-N 449.483 0.352 30 20 ICED N#Cc1ccc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c(OC(F)F)c1 762915938 NNIOHVOQCPQPNN-UHFFFAOYSA-N 428.373 0.608 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)s1 765146261 UFFKKNTVAZLOAX-UHFFFAOYSA-N 427.511 0.747 30 20 ICED COCCN(C(=O)CCC(=O)N=C1C[C@@H](C)ON1)c1c(O)nc(=O)n(CC(C)C)c1N 765381076 PVJKLMSBAOLLIN-GFCCVEGCSA-N 438.485 0.185 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 772858014 AEGQXWYUSMVUFN-UHFFFAOYSA-N 442.497 0.776 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)/C=C1\N(C)c3ccccc3C1(C)C)C2 786431148 FHYAUPVYTCXHQR-UNOMPAQXSA-N 438.532 0.829 30 20 ICED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787758237 IILODVMHSIZORF-HNNXBMFYSA-N 432.481 0.233 30 20 ICED CCOC(=O)CON=C(C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1cc[nH]n1 789964008 PHFGGKWILWJPPH-UHFFFAOYSA-N 442.476 0.159 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)nc1 803398779 QNKBDLPPCSJVBL-IBGZPJMESA-N 440.479 0.810 30 20 ICED COC(=O)CCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 808965244 LHLLAZGNIXCJFU-QNGOZBTKSA-N 440.478 0.439 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(C#N)n3)C2)CC1 810457727 NBNRBFVLJOMIPN-UHFFFAOYSA-N 435.506 0.660 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273181 AJZVLHCTWGNCQK-NSHDSACASA-N 439.488 0.645 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812567651 HGLSGYIXOONSHT-UHFFFAOYSA-N 426.498 0.782 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249919 ZZBMNWIQLUBMMT-GFCCVEGCSA-N 437.472 0.212 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 843483909 KVAOWHMIPOLADE-SNVBAGLBSA-N 437.396 0.927 30 20 ICED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 917795145 SBCDFWLSAHQYMV-MRXNPFEDSA-N 449.536 0.614 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(F)c(F)c3)CC2)o1 919617549 VBLNMJZPQIJRKO-UHFFFAOYSA-N 447.398 0.755 30 20 ICED N#C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1116506575 YDQRDCAQXONXJQ-GOEBONIOSA-N 430.490 0.014 30 20 ICED CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1302437957 BEWGSAPCMGFKEO-HXUWFJFHSA-N 431.518 0.982 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 1318770490 AJGJWDVLQWEZLA-MJGOQNOKSA-N 425.489 0.944 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1324928787 QFPDDDJIYNCXKK-CRAIPNDOSA-N 426.516 0.064 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1504888144 JKZLWWOOGGTTAN-GVDBMIGSSA-N 441.554 0.598 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1541103892 ISPXFZHMNKUDAI-CQSZACIVSA-N 443.599 0.391 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1608580143 XPBHQLBHYMJFBZ-MRXNPFEDSA-N 430.557 0.755 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1696839460 YFOKGZFHPWXZGJ-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1696919699 PEBZOCOQFQBDDW-LJQANCHMSA-N 431.522 0.328 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1697707012 YJTRJYBKKRCUDW-UHFFFAOYSA-N 439.520 0.884 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1747704676 LRROBECQDZIRLG-HXUWFJFHSA-N 441.517 0.736 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749104572 XHVGTSOJVSJDJS-NEPJUHHUSA-N 446.327 0.730 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1=O 1771138269 QIGDSRSNEYZFDJ-UHFFFAOYSA-N 425.493 0.636 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778850338 ZEQVUNATABTURU-NRFANRHFSA-N 439.476 0.343 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102162 CQYQRMKSCDWSEX-IWHDTAQISA-N 439.513 0.053 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779139460 DKSBBQFOXPWXEA-JBMWNJKUSA-N 436.472 0.814 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1779239858 IAEVAFFUNSXUBJ-OAQYLSRUSA-N 428.493 0.854 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(C)=O)C3)c1 1780091432 OTCONYRJJJSWMZ-DENIHFKCSA-N 428.489 0.830 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1781366613 KVBAZGAJRVTWPL-AVRDEDQJSA-N 426.473 0.631 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783452572 NGXNUXJDBXDCLN-HXOBKFHXSA-N 447.532 0.723 30 20 ICED C#CCO[C@H](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 1784481456 QIBSHPQREAKQST-JIFZMYKYSA-N 432.517 0.760 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1785382047 OLJYQQUSQMGZCO-HXUWFJFHSA-N 433.486 0.585 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1785572541 OJBTZZGWFKQYHX-GSHUGGBRSA-N 437.537 0.750 30 20 ICED Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c1F 1785776160 ANPHUNLWWHJKNF-LTKSSQCXSA-N 434.516 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787491764 NKCADKKBNGYJRB-QAETUUGQSA-N 448.520 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C(C)C)n3)[C@H]2C1 1787671836 WOEOZICNICHSMB-ULQDDVLXSA-N 433.509 0.962 30 20 ICED O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)NC1CC1 1788658679 MAUVGIGNKFKUKJ-ZNOVWJLTSA-N 448.520 0.330 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1cccn1 1788661178 DUWNDSCBMMWVNF-RUMYPKPLSA-N 433.509 0.953 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929471 OITXTEOUZWRLLB-QAETUUGQSA-N 425.526 0.818 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1789955318 ILETXMSIXWJEEF-OVWQWFNUSA-N 434.493 0.790 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410735 XNJITQWTRDDBQS-ZSBFGKGUSA-N 436.440 0.495 30 20 ICED COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1794529918 OSIARXDGMGCYBJ-UPHUGPLXSA-N 427.501 0.992 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384256 VHGBNRNMLLQCQE-BTTYYORXSA-N 448.549 0.372 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1797786907 OCUPMMKHRNIGGL-JJTUDDRGSA-N 430.523 0.025 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1797812342 QVRWQTDNERWATB-NHIUHZMNSA-N 442.476 0.462 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1797934882 XEIQXANROSPRIY-SJAPTTFASA-N 449.552 0.318 30 20 ICED 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)=O)C2 1799233397 XLKNFIKAPSANJF-XMTFNYHQSA-N 435.521 0.862 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2)c1ccc(O)cc1 1801057174 KRUUZGKNKJMIBF-DCXXXQMHSA-N 437.500 0.921 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1801995605 BGYWYGZGEPLCQH-OPMZPASUSA-N 446.467 0.883 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802475485 GSXLKKJYXGPROS-UXTXJKSZSA-N 442.520 0.217 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1802920440 ZGUUEDDMICTIOD-SWLSCSKDSA-N 449.389 0.997 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806819606 XZLVFXUESWTCEA-SCTDSRPQSA-N 426.521 0.648 30 20 ICED NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1808419433 PLFZUIBZGYVXQC-UDBAPERZSA-N 427.530 0.874 30 20 ICED O=C(COCCO)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1808612600 GUFJTLGOEOHVOM-AWJMBJGLSA-N 434.493 0.625 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810333202 INWIRPUTDQMPQU-KNQAVFIVSA-N 429.517 0.795 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810390599 SMFZGLIOFVWUEC-POHYDNSXSA-N 437.504 0.639 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1811894206 SQQXKTDARKWKSR-UYAOXDASSA-N 449.467 0.816 30 20 ICED COc1ccc([C@H](O)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812874767 YITGIXFTUDFUMI-HSQYWUDLSA-N 437.452 0.918 30 20 ICED COc1ccnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1OC 1812877027 AVTYZLQUGYNLDE-FOIQADDNSA-N 438.440 0.901 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(F)cn3n2)[C@@H]1c1cccnc1 1812880584 QCQLTRKKDRQZDA-AUUYWEPGSA-N 436.403 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@H]1c1cccnc1 1813468211 ADNFNDIJAYJAGS-SOJUXVEMSA-N 438.492 0.194 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818799963 NRJYVMFORDYKHJ-YOEHRIQHSA-N 435.594 0.876 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(=N)N)CC3)c1 1821385303 PCQGQXOVRSQMDW-LBPRGKRZSA-N 427.490 0.732 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676694 BWXZIDMPBXFING-SECBINFHSA-N 430.433 0.810 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828524988 JPENJGZBYUZQNO-QHCPKHFHSA-N 443.500 0.553 30 20 ICED N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971700 DFKXUSRVZAIILG-ZPCWFPIVSA-N 448.568 0.975 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1829768828 JIOSPNLCFVXOQN-XQQSMPNESA-N 437.880 0.861 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830468463 MLAKZWPKADFMGC-NRFANRHFSA-N 443.891 0.440 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830720037 RGFMTARKIQGFBV-GSHUGGBRSA-N 433.505 0.726 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1831392455 MCKKFSYHNRKYLZ-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831475942 SDLXPVMUDZJBLB-FFCJBUTOSA-N 434.493 0.070 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)ccc1F 1831766675 PQALCLNYFXYFEN-OAQYLSRUSA-N 427.436 0.733 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832535314 WWTQZGZWNUEJPP-QHCPKHFHSA-N 441.484 0.705 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918008 BHPKQLXYWSPVIK-UHFFFAOYSA-N 426.521 0.915 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1834765450 PAPWIUIRLFEKBC-QFIPXVFZSA-N 428.489 0.507 30 20 ICED COc1cccc(OC)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836241640 NWOWAXJEGANKDX-UHFFFAOYSA-N 443.500 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1837393682 YWMYONNLWFRTEL-JTSKRJEESA-N 439.553 0.178 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837486896 SOSVXBYCBUZRJG-QHCPKHFHSA-N 433.549 0.237 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837488549 JVCAJQCETCABDP-HSZRJFAPSA-N 444.484 0.408 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490612 IYZOCRUIPYEGTQ-QFIPXVFZSA-N 430.505 0.487 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524587 JVQUMDDNAHKZSE-WGAVVDLZSA-N 435.481 0.019 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837525594 XOLAMCXEVNTGIF-ZISMNVMJSA-N 449.508 0.328 30 20 ICED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cs1 1837563475 YWMPTBUADYZSAU-JWWNMXMMSA-N 433.490 0.507 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738292 ZPFRISPFTOOPEM-OPAMFIHVSA-N 438.488 0.852 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n[nH]1 1838906556 PNSRWGSERMVRQC-QFIPXVFZSA-N 437.456 0.868 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)cc(OC)c3)CCO2)C1 1838933060 PHJFSPYADVOWMZ-GAJHUEQPSA-N 446.500 0.812 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)ccc1F 1839186403 QSUMBYMEWJDCSX-JOCHJYFZSA-N 441.463 0.593 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363140 KVOYRSWERGVPBT-JPZYQRIQSA-N 447.557 0.981 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1839450799 HNDWDBKYQZEASQ-MBSDFSHPSA-N 440.500 0.463 30 20 ICED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486009 ICLJGCUXZPOGCH-LAUBAEHRSA-N 427.461 0.275 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840246201 LSHAZGXYAXWIJU-TTXDXLKSSA-N 430.908 0.839 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840453794 WAFPJIOWMZDLCK-AOMKIAJQSA-N 439.472 0.819 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1841582109 HTGDZAQILSUIDV-OAHLLOKOSA-N 448.545 0.641 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)n1 1844353613 PWHMIOQXHJPMSJ-UHFFFAOYSA-N 428.537 0.772 30 20 ICED N#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 36760006 NWHJKEDOKSDDEG-UHFFFAOYSA-N 440.547 0.739 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 428570022 HFIJRPCCNMDLGM-OAHLLOKOSA-N 426.518 0.798 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](C)CC#N 438872569 GBMHORPLKUCIIW-AWEZNQCLSA-N 438.506 0.852 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)C1=O 440271929 SUJVAWLVVOOPEM-HNNXBMFYSA-N 438.506 0.641 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(COC)c3)c(=O)n2CC)CC1 440377691 UQOCHPYDTOFIJK-UHFFFAOYSA-N 440.569 0.743 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)C1=O 440804107 VQAOYJDRSRXZLN-UHFFFAOYSA-N 425.405 0.464 30 20 ICED N#Cc1ccc(CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C2CC2)cc1 442430394 AQOWRAVPBBZRCK-UHFFFAOYSA-N 436.472 0.743 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)cc1 447464801 XEGBOFASGMYHNV-QAPCUYQASA-N 434.493 0.805 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462017220 QALHRWWPIYPRNQ-SRABZTEZSA-N 438.444 1.404 30 20 ICED CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc21 472884079 UZSOGIQHJYGXQP-UHFFFAOYSA-N 435.488 0.797 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CCC3)CC2)cc1 481155535 LDIGZIONYIYVNU-UHFFFAOYSA-N 434.518 0.871 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 481438009 PYYKQPGCRLEXAE-ZDUSSCGKSA-N 441.510 0.586 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 491063736 BFKSSWRHUKGDJS-UHFFFAOYSA-N 448.523 0.932 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 492094414 KTHNIRWCBPELGE-UHFFFAOYSA-N 434.500 0.788 30 20 ICED CCc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnn3C)c2=O)cc1 502055788 HBIXTEUMGQROSR-UHFFFAOYSA-N 437.525 0.461 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC 511080694 HMDHVNQKAPUPAU-UHFFFAOYSA-N 427.526 0.910 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(C)c2)c1=O 523477567 CSBAMOFECJDPEQ-INIZCTEOSA-N 429.542 0.909 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O 551091063 YSUXHTRLXVYAJB-OAQYLSRUSA-N 441.576 0.556 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1F 570371916 SDSYVGAHVVBIAS-UHFFFAOYSA-N 425.424 0.281 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 583638468 YIHBVTOADQQEEC-OAHLLOKOSA-N 429.458 0.480 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 585709661 PKSKFFJGMBZJAG-IBGZPJMESA-N 444.555 0.925 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(CC#N)CC3)c2)CC1 611645128 TXSPHFYCUZJKMM-UHFFFAOYSA-N 433.534 0.713 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 669810197 SJLMDLBYAKHQAH-OAHLLOKOSA-N 425.559 0.802 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)C(C)C 729915688 LUBDNNSTOHMYDR-CQSZACIVSA-N 430.552 0.985 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CCO1 730074439 UNXWMWCOEGAVCF-OAHLLOKOSA-N 433.490 0.627 30 20 ICED C[C@H]1CN(C(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 733830375 IPVXPQKTJZEQBM-VBQJREDUSA-N 428.445 0.942 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744036527 BDNALBDYRXFDPU-QGZVFWFLSA-N 429.454 0.593 30 20 ICED N#Cc1ncccc1S(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 758075676 IINKZUNPCXCVJT-UHFFFAOYSA-N 436.471 0.604 30 20 ICED C#CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C1CC1 763956214 XXJIHMDXVZGXKG-UHFFFAOYSA-N 425.489 0.656 30 20 ICED C=CCOc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC 768250579 VUQQZHIPPAPGMH-KRWDZBQOSA-N 444.575 0.895 30 20 ICED O=S(=O)(Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1)NC1CC1 771641783 VTUFIOVNQGZFLM-UHFFFAOYSA-N 425.492 0.323 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 772303744 WQAOFGFCFWKLJR-UHFFFAOYSA-N 448.508 0.323 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccnc(N(C)C)n2)C1=O 775657514 CGTQNMWOMVQKKN-OAHLLOKOSA-N 441.517 0.909 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782244957 MNYFLOJLGSTARU-UHFFFAOYSA-N 434.499 0.651 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 782907087 TZCIFLGTVFNGGE-UHFFFAOYSA-N 433.484 0.675 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 786080730 GEQDGKUPROHSBW-UHFFFAOYSA-N 447.429 0.484 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCS2(=O)=O)C1 788849798 OCTGPCZOAKRNFD-AWEZNQCLSA-N 440.547 0.142 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 789115135 RYCWHUWSEUCBBR-YJYMSZOUSA-N 446.485 0.884 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)cc1 789811907 GQVNIHVUXQPMPU-XLNRJJMWSA-N 447.517 0.476 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)NCC2(C#N)CC2)cc1)S(C)(=O)=O 797510866 SUJNOTCDBAEMAL-UHFFFAOYSA-N 430.508 0.394 30 20 ICED C#C[C@H](NC(=O)C(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@H]1CCCO1 809312495 ZQYFWFXUBSOGBZ-GOEBONIOSA-N 442.472 0.998 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)n1 810405994 RWAAOECLDSESTJ-UHFFFAOYSA-N 432.444 0.582 30 20 ICED COc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2c1C(=O)CO2 811031879 ZVFVFSXBQOYDCO-UHFFFAOYSA-N 444.421 0.846 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(=O)N(C)C 812276056 HHTROHAFJFNCDN-UHFFFAOYSA-N 437.472 0.397 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CCCNS(C)(=O)=O)C1=O 914551143 YIXZCSHRHUMCPA-CQSZACIVSA-N 428.536 0.702 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 916874956 IPHDCMMUEPHHMJ-RLFYNMQTSA-N 437.518 0.960 30 20 ICED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCCN1CCOCC1 917027019 ZFKFZTACGYHULF-INIZCTEOSA-N 442.611 0.380 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 917034318 HXAOOXCDJMMJOY-GOSISDBHSA-N 448.487 0.812 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCCSC 917786148 CZCKTZXNXNRUBQ-UHFFFAOYSA-N 438.600 0.694 30 20 ICED COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918269544 MFZXNTNHWOGXID-LTGZKZEYSA-N 426.495 0.217 30 20 ICED O=CN1CCc2cc(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc21 918873141 XKTLEGUNOJGFGO-UHFFFAOYSA-N 427.438 0.670 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116666243 FYXWNZLNTPRVIT-OKZBNKHCSA-N 430.461 0.700 30 20 ICED CN(Cc1ccccc1Br)C(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1136760529 JGHYXOISPSGEIS-UHFFFAOYSA-N 448.277 0.748 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1140627097 PGXCGKODLJTUTL-KRWDZBQOSA-N 439.472 0.842 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1=O 1160605014 QOBYZAJJZBWLGA-QZTJIDSGSA-N 427.505 0.206 30 20 ICED C[C@@H](CC(=O)NCCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1263974713 CGNCXTKOXBIGMP-LBPRGKRZSA-N 435.506 0.340 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1291189976 MQAJRIOPUZMPQJ-GOEBONIOSA-N 428.518 0.918 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1629932832 MHTJWVOMKDMJEB-KRWDZBQOSA-N 449.577 0.138 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710877145 RBXCAIGFRZWCDW-KRWDZBQOSA-N 445.549 0.810 30 20 ICED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1730475393 VVJQGGBMBRSJBC-WMZOPIPTSA-N 441.492 0.604 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCO1 1748213104 YKJJUWCKUAMCOX-XHDOVSQSSA-N 428.518 0.679 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1767845814 ZCBYVOHKNBAFTQ-QRWLVFNGSA-N 446.533 0.750 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1770752138 RMLBLCRZGDMVOT-SFHVURJKSA-N 446.533 0.664 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1771359047 UMECIWZYXPVFIJ-OAHLLOKOSA-N 429.506 0.034 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c2ccccc21 1778162275 RAQDCVRNEMTYAV-QFIPXVFZSA-N 425.489 0.720 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918860 QWAVAXNSJFJERM-XMSQKQJNSA-N 427.505 0.558 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1779184178 PDFQEHLJTZYIAN-RDPSFJRHSA-N 437.544 0.853 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779202321 SGUDORIUVBUWOV-QHCPKHFHSA-N 440.500 0.549 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1cnnn1 1779364462 YWWQKNHJZNHLNL-BZLZVXNVSA-N 432.529 0.220 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)cc1 1780596462 QOODCLZWALLTMF-VMIIQTFKSA-N 440.544 0.728 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781296775 VMPNIFFXRCPPLL-AOMKIAJQSA-N 449.504 0.764 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301213 RPYXLDTUDXDAKI-ZHRRBRCNSA-N 440.479 0.998 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1783558532 RGKRVWUXNMKRFQ-OAQYLSRUSA-N 440.412 0.467 30 20 ICED COc1ccc(OC)c(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783561299 MNFKVHHOEAOJBI-QFIPXVFZSA-N 430.457 0.554 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1786563972 GYXDGARZEOGIEA-LWYYNNOASA-N 430.526 0.595 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788470967 BJAQBTZOCAXRBA-CJCBUOBESA-N 448.451 0.355 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788493878 KBGNPIVPXVXGCO-DOCOLBGOSA-N 431.537 0.083 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)n4cnnn4)[C@H]3C2)c1 1791688494 HZWPFFMZSLMJDV-BMIPRAEKSA-N 439.476 0.408 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1792170801 ZTJUCTSQEOEXNP-CUWPLCDZSA-N 426.517 0.925 30 20 ICED 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)OC 1792576877 WPZVHQPGQBCFMG-YVSFHVDLSA-N 437.537 0.918 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccc1C(F)(F)F 1793971697 WWJBFTMGBZSEFM-HBCWATKFSA-N 439.390 0.711 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796419430 GDJRDGNRWRVZMI-BKEDOTJMSA-N 435.481 0.702 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886477 DVIBBNUZSVLYPA-YYIAUSFCSA-N 427.567 0.623 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1797742175 LTOYDHFLZRZYIA-QKIXTDTJSA-N 434.415 0.153 30 20 ICED CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)c1ccc(F)cc1 1799052947 ITNGXMLFBTXKGH-NBMJBFSESA-N 428.464 0.896 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C(\C)NC(C)=O)C3)c(C#N)c1 1799239869 UUUMSLVNJNAAGP-YCAHNBIMSA-N 440.500 0.739 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(Br)c1F 1799499227 BAMPKJGUALKYRC-YQYWCBKUSA-N 439.237 0.879 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1807195937 FKQOPPUTXNOFDK-LIYKDZJNSA-N 443.504 0.009 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1 1814439467 KLVQXBQUFJLJCQ-MWWKQMNYSA-N 426.481 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCS2(=O)=O)n[nH]1 1821829918 CDAMOSREGLCCMR-ALLYREJPSA-N 449.533 0.837 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)Cn3cnnn3)CC4)c2c1 1823892448 JLHZYOZNYMEJAG-LLVKDONJSA-N 448.472 0.804 30 20 ICED O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)C(=O)N1 1824971632 GDPYLMIENUDRPP-KCDOPAPYSA-N 443.504 0.870 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cc1Cl)CCO2 1829609957 CTCAZUBJXDCFIP-GOSISDBHSA-N 442.255 0.546 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)C1 1829663291 JQFAWMOQFJVQCO-OAQYLSRUSA-N 433.530 0.901 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1830056436 YDFIKNDDKZTVRF-HXUWFJFHSA-N 444.517 0.893 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470040 OMYWUZUMYFOLHT-OAQYLSRUSA-N 433.892 0.284 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c1 1830969134 TUNBWXJCSGCYRY-QHCPKHFHSA-N 435.484 0.969 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831447039 RDNIMCLTAGQNDW-BEFAXECRSA-N 445.538 0.150 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1831692109 CVRQPRKOMOLIAH-HTAPYJJXSA-N 439.553 0.178 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381507 XYZQIZOFUZMNOV-SFHVURJKSA-N 428.436 0.262 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1833475683 XBACSOFONDSLFR-HNAYVOBHSA-N 440.541 0.214 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833505542 FZTFUUKZOXQSAB-YCRPNKLZSA-N 434.493 0.128 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cncn4-c4ccncc4)CCO3)C2)CC1 1833652527 BSGJXAMFXRLPMN-JOCHJYFZSA-N 436.472 0.641 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016044 PBZBJFJNLGNLBD-CRESJJQNSA-N 432.477 0.681 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1nc[nH]n1 1834951922 NZBLIMDBHAXQPY-XNQWGTPPSA-N 433.513 0.519 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835063850 HGXYHXZXZROTHZ-MBSDFSHPSA-N 430.501 0.732 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1835745728 GOGQBZUDZAYYSK-ZWKOTPCHSA-N 442.564 0.887 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(Br)c(CC)nn1C)CCO2 1836285948 WUENYGILYWNHQK-GOSISDBHSA-N 439.310 0.448 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)N1CCN(C)CC1 1836373014 RRXDNSKSOHBWMW-IBGZPJMESA-N 444.624 0.888 30 20 ICED CC1=C(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCO1 1837527867 YTKZAVZVVHJAKE-WCNTUGILSA-N 437.493 0.666 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837650478 XQPOSMHJKAIAHX-NRFANRHFSA-N 433.892 0.984 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837965803 ILCOGFJABCUNDG-NRFANRHFSA-N 434.493 0.124 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838043482 OOKJSHMOTRJMRJ-AVRDEDQJSA-N 434.537 0.626 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838061913 ZOQLSCRHLXAXHH-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838345582 BTENMPNVYJQJEB-NRFANRHFSA-N 434.493 0.538 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838971171 GBZVSXDVUSUTCO-JOCHJYFZSA-N 432.473 0.972 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839175122 QEZLVLAINNGOOA-NRFANRHFSA-N 432.477 0.364 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cncn1 1839422166 GSIBSXCHMMCDGU-YCRPNKLZSA-N 442.451 0.620 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839874987 OKNXRILGWFOODT-BVZALQNUSA-N 440.500 0.520 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Cl 1840044934 IIJZXSZNSOCUFC-FQEVSTJZSA-N 436.848 0.507 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384112 RDXADPMSFUIPDK-GHTZIAJQSA-N 435.525 0.921 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)n3cc(C)cn3)CCO2)C1 1840405239 MMGRLVQWRFMZCT-FGSXEWAUSA-N 434.537 0.782 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840879822 HUWFUTAOGRGRKX-GPVJQRHHSA-N 442.468 0.686 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1840929301 NJQLHSRIPAMVJK-XMSQKQJNSA-N 438.569 0.976 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842264877 IBOHGTOAATWGHD-SREVYHEPSA-N 439.516 0.594 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@H](O)C1 1843983763 LNKSATVCYRPDAF-QVKFZJNVSA-N 449.504 0.286 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301459 OYPIHPKEXJNDOX-SUMBUIOXSA-N 439.465 0.214 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3n(n2)CCNC3=O)cc1 1847210561 JKLADQQWAWENKO-OALUTQOASA-N 432.484 0.946 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n(C)c1=O 16260035 CYCIIBCSZUKCMO-QGZVFWFLSA-N 435.488 0.233 30 20 ICED C=CCn1c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)nnc1-c1ccco1 23202292 KLCHFVQFVNOAMY-UHFFFAOYSA-N 432.462 0.778 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 23496898 AWRNPXIXNJOXHE-UHFFFAOYSA-N 440.525 0.995 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 410158142 DAGJUMVUJKAWEI-CABCVRRESA-N 430.433 0.842 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 430377630 JAZSZBFFXFUJFD-SIKLNZKXSA-N 440.544 0.817 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289497 LVHWRHZATYSTIL-WFASDCNBSA-N 427.493 0.880 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[nH]3)c2)C1=O 447675931 PBDOYJANVTZEEJ-UHFFFAOYSA-N 440.416 0.241 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](CO)Cc1ccc(F)cc1 460612554 DMQGYGCIOHAZQE-QGZVFWFLSA-N 436.447 1.492 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 461466665 ZBYORWAPDWQANZ-UHFFFAOYSA-N 438.487 0.745 30 20 ICED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 469089127 UCPOXQZTUJOESH-CYBMUJFWSA-N 432.506 0.526 30 20 ICED COC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1C 475390602 WGMWVXYQGMUUNI-WMZOPIPTSA-N 448.545 0.522 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 486654629 SKENEWDQIWBMBU-CYBMUJFWSA-N 437.490 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 486829577 WEEGAGBOQKAZQB-AWEZNQCLSA-N 442.501 0.068 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)N3CCc4ccccc4C3)n2)cc1 491501575 YORRZLNGJMEAAU-UHFFFAOYSA-N 443.467 0.838 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)n(C)c1=O 491937736 LNUZGRWSKFPXHV-UHFFFAOYSA-N 432.444 0.402 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 494536196 IBIDBZLELZHWPZ-AWEZNQCLSA-N 444.435 0.802 30 20 ICED CC1(C)C[C@H](NC(=O)Cn2cnc(C#N)n2)C[C@@](C)(CNC(=O)Cn2cnc(C#N)n2)C1 496613769 COGMCSPHNLVUDE-VBKZILBWSA-N 438.496 0.131 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 499814273 RBAGTPHMWXLCEB-UHFFFAOYSA-N 446.464 0.288 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500826727 JGTPKLFCHDUPIG-SFHVURJKSA-N 437.566 0.999 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)cc1 502989467 NKLRNZQXOJDCHU-UHFFFAOYSA-N 436.534 0.861 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ccc1Cl 504748034 KDTCDHNYEDNFAK-OAHLLOKOSA-N 440.909 0.803 30 20 ICED Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c(C)s1 505038887 CXGOOBNVKPZTLI-UHFFFAOYSA-N 438.535 0.817 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 508009432 ZZYLCHXIHHMTDJ-QVKFZJNVSA-N 427.461 0.520 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1O 509065430 CRKCYLWIABPSIE-UHFFFAOYSA-N 438.487 0.431 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c(F)c1 511453756 KVLPWJHBMWAJNW-UHFFFAOYSA-N 426.456 0.271 30 20 ICED COCCN(C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 514925167 NYYXWOMOIGTBFO-NRFANRHFSA-N 448.589 0.728 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 516439964 FAVUNFBTLGRUNJ-UHFFFAOYSA-N 442.453 0.759 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)C1=O 517820174 FRBYWYWGDALJPX-OAHLLOKOSA-N 429.433 0.902 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 526038124 HAOIYQUUKLDLED-UHFFFAOYSA-N 432.452 0.458 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O 527338258 VLTDHIOZUSBCMD-UHFFFAOYSA-N 438.897 0.950 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 537151682 ADGRFNPFTVAMIA-UHFFFAOYSA-N 438.535 0.651 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)n2)c(Cl)c1 551737126 BPHSARCZXLQDTB-RDTXWAMCSA-N 426.864 1.509 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 552779057 GAUATTBXISNLHD-UHFFFAOYSA-N 429.565 0.751 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc2F)c1 552805970 JSOWADZIYRYIGI-UHFFFAOYSA-N 427.392 0.916 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 559361212 IRZCBEBWNNFRID-UHFFFAOYSA-N 431.541 0.406 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1c1ncc[nH]1 570544246 RPRMPORMSKZTBI-RTBURBONSA-N 449.515 0.798 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CC(N)=O 572796811 GRVBAPKXYGVPQB-UHFFFAOYSA-N 443.337 0.545 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1 576069544 RNPPICOUNLDOQM-UHFFFAOYSA-N 435.531 0.197 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 584864034 GMGPHEFCLYLIFD-NQIIRXRSSA-N 449.515 0.559 30 20 ICED Cn1c(NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(C#N)c(=O)n(C)c1=O 603871615 NJOJXTPGRRNMBX-UHFFFAOYSA-N 426.477 0.229 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 604527809 KJCMDFZGBLRSQS-SFHVURJKSA-N 445.476 0.821 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1F 609450587 KXRHERTXNSLFPO-UHFFFAOYSA-N 444.532 0.721 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)OC)c1 609487682 NVNSVZYPOYSGCT-UHFFFAOYSA-N 425.507 0.098 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCOC1 611002332 IZAHUHFPYPQWDX-CYBMUJFWSA-N 449.479 0.490 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CC(N)=O 617838890 IUAMKBAVQZLLQX-UHFFFAOYSA-N 445.353 0.791 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726114116 JYEOTXNNHBWZTH-OBAOGOGRSA-N 441.579 0.390 30 20 ICED Cn1ncc2c(N3CCN(CN4CC(=O)N(Cc5ccccc5C#N)C4=O)CC3)ncnc21 726585332 PRMWCOMIUTXARN-UHFFFAOYSA-N 445.487 0.779 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 728571174 DIOMCWKQJAHZBM-KDURUIRLSA-N 427.549 0.606 30 20 ICED C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 740748808 ZJKKVLSVYGDATK-UHFFFAOYSA-N 435.546 0.934 30 20 ICED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 744032852 OZOVZZPDUCJGKT-GEQZRMBCSA-N 441.440 0.904 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 747819967 FCVWUNFSTAWNIH-HSZRJFAPSA-N 439.516 0.422 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2OC)c1=O 758060605 HOEGEBHTLXXQIG-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 758076682 QHMXHEKHSZRNMO-UHFFFAOYSA-N 429.473 0.346 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 761037106 LKSFHWRURUMAGP-LBPRGKRZSA-N 425.511 0.848 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 772122184 QWLWFMYLYRDIRN-UHFFFAOYSA-N 437.518 0.772 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 774264167 SZNMYGDVXVYFGP-URNNLJEASA-N 444.391 0.895 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 783479743 NKVGWAACZVFKCR-VQIMIIECSA-N 433.530 0.667 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786569827 MIJMZHLSYOAVKO-MJBXVCDLSA-N 439.440 0.325 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 787610667 VTJXYNRNESCSNS-UHFFFAOYSA-N 446.441 0.856 30 20 ICED C=CCN1CC[C@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1=O 798602313 QILCLHCCMXENFI-HOCLYGCPSA-N 434.470 0.954 30 20 ICED Cc1cccc(N(CCC#N)C(=O)COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)c1C 803861098 VYNQMBFQIRRSRE-UHFFFAOYSA-N 446.485 0.962 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 806708560 NDBNNCYZSNKVLB-HNNXBMFYSA-N 445.476 0.111 30 20 ICED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 807835449 UEHLMQNRUFOCEY-AWEZNQCLSA-N 445.524 0.232 30 20 ICED COC(=O)c1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 813068489 KTAZZDJOMMMTRA-CYBMUJFWSA-N 443.275 0.815 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C2CCC2)CC1 814253483 GBMREOUJZWVJKX-UHFFFAOYSA-N 426.546 0.035 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3F)c2=O)cn1 838665728 UHTCWLHBDRTXMY-UHFFFAOYSA-N 439.472 0.133 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916871414 VRJRMRNAFBUQEG-GOSISDBHSA-N 432.502 0.821 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)c1 918615822 BORGJAZFXISDAX-SILNSSARSA-N 443.551 0.353 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCOC1 1288864920 ZTFRCZGHZHVENR-YQQAZPJKSA-N 437.570 0.491 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCC[C@@H](O)C1 1455559533 IMJSKTNHVVGEKD-CQSZACIVSA-N 442.497 0.961 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1613588197 AULAEQQQIFTSLZ-GCJKJVERSA-N 444.584 0.440 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1654850388 AYGQCODESWPOIJ-OAQYLSRUSA-N 432.546 0.359 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779019824 USQNCQOPCNUXAB-XOWGOQOESA-N 430.509 0.581 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779102709 IPGDQEMYDCIGHZ-GAMXZPBPSA-N 431.493 0.802 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1)C2 1779203786 ROAFVQUVTFDQRI-ZWCUEREDSA-N 444.488 0.750 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@@H](O)C1 1781111481 HAJOMNHCQIFBDR-WCJKSRRJSA-N 448.520 0.348 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781861426 RPVOOZWZNLRGKB-YWZLYKJASA-N 433.465 0.173 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782670365 IDRPPHYOADNICQ-GSHUGGBRSA-N 445.520 0.831 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783521598 QYTSIEZFUUIRLY-YVHKJVDXSA-N 437.537 0.894 30 20 ICED Cc1cc(Br)cnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561500 VCPTYWJPFCYSIA-SFHVURJKSA-N 436.262 0.684 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2)C1 1783901059 UHXOGIIYEJMXMD-ARGWCVDVSA-N 445.582 0.799 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1785379871 FTZRCLMZYSYTCU-HSZRJFAPSA-N 449.467 0.801 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559319 YBXMWDMWKJDDTF-GTAWCEEGSA-N 447.557 0.346 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786844778 VNNPDQYFNGUQJB-OKYOBFRVSA-N 448.564 0.622 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)c(C#N)c1 1787088735 SHFLKMICLRWGNI-VDGAXYAQSA-N 438.488 0.381 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787497431 GWFWYMBTBOFXMX-IMPIEMTGSA-N 434.562 0.962 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789693071 FSLISSKNSZHRHN-KCMWZYNZSA-N 445.447 0.012 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1789957419 SCXRJOWQCXWJAE-QUSNUVHPSA-N 429.539 0.344 30 20 ICED 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)C#N 1792629481 FVKGHAPHACNHAB-QKPAOTATSA-N 438.525 0.401 30 20 ICED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c1 1792939409 NRYWHFADUXKEKE-VLVHOKLOSA-N 426.517 0.780 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1793340924 RZBQMGFYVURQOQ-OAFZBRQQSA-N 441.463 0.648 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1793349799 JYARGDKBVYCHLN-HNULKUCHSA-N 427.501 0.433 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)c(C#N)c1 1793492654 GOQYCEKQMXGMLX-VPTLXERWSA-N 437.456 0.508 30 20 ICED 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[nH]nnc1C)C2 1793595496 OUWATRGDVZDEQK-JYYAWHABSA-N 448.524 0.786 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1793821009 IABYSCKIKATMFQ-QIRZIZBZSA-N 426.564 0.298 30 20 ICED COc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc(OC)c1OC 1793901010 KSTJEJIEFWVDSP-MUJYYYPQSA-N 430.457 0.981 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795597653 RDCXWINYQACUHG-TXTZMMAHSA-N 434.537 0.447 30 20 ICED Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795666872 BDVBPNYFMJGTOB-SCAQPMJSSA-N 432.546 0.936 30 20 ICED C=CC[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 1796300535 VQPKJERYPNTIPQ-UHDSXZAQSA-N 425.526 0.674 30 20 ICED 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C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845210700 PDNYQKSAHHGJBX-QGZVFWFLSA-N 443.504 0.729 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCN(C)C3)C1 1845725735 MGWPBMLUNGNAGU-SREVYHEPSA-N 426.521 0.394 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 409503711 SWCXTZNYAJLOJN-UHFFFAOYSA-N 438.550 0.933 30 20 ICED C[C@@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 443211084 KOHMWXSPCQODFH-SFHVURJKSA-N 446.514 0.599 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1Cl 464102520 AIZXYLZJPSBVDL-UHFFFAOYSA-N 437.865 0.812 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 467604740 HWVUDSCVDWWXCJ-IHJYVVLGSA-N 435.531 0.291 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 469026034 RLPVOXOFLQBBIZ-UHFFFAOYSA-N 436.534 0.762 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCNS(=O)(=O)c2cccnc2)c1 475803281 CCXCAVCOGNLNRR-GOSISDBHSA-N 427.486 0.539 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1=O 478574316 FYFZLXJBVYZKGQ-AWEZNQCLSA-N 449.261 0.425 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2OC(F)F)c1=O 480284586 IUBJYQHBICOCCY-CYBMUJFWSA-N 435.452 0.846 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 510293119 ZLDKLEFOLYZOAA-MRXNPFEDSA-N 442.563 0.813 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)n1 513135005 FOPBTUQNGPKAPF-MRXNPFEDSA-N 427.440 0.278 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c1=O)CCC2 516906720 PZUZLWBJOXJHFE-UHFFFAOYSA-N 444.488 0.881 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 531495617 NKSOTERRVQVCCC-KRWDZBQOSA-N 442.407 0.404 30 20 ICED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCCCC1 532927408 HJJMRRWDNZXVOR-UHFFFAOYSA-N 446.533 0.917 30 20 ICED C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 533061388 WMUSVNBCLDHLFO-ZLIFDBKOSA-N 426.926 0.626 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2=O)cc1 539356726 JYVAXWQUNQSYSU-LSDHHAIUSA-N 442.394 0.897 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)c(Cl)c1 551921547 PQOUBYKUKYITLN-UHFFFAOYSA-N 431.880 0.983 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 552749657 ORHONDQFLZOGCJ-MRXNPFEDSA-N 425.532 0.546 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 553266939 AGHAXVBEUSCHNS-ZWKOTPCHSA-N 441.488 0.859 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 556421691 ZKTYLWJHUBFWSF-APWZRJJASA-N 431.518 0.631 30 20 ICED COCCc1noc(CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 561703810 FMBWUDFOPCQFLJ-MRXNPFEDSA-N 440.460 0.400 30 20 ICED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 566325968 IUNCJHGXOZZMFA-LJQANCHMSA-N 439.516 0.540 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 579983267 LSTSYKSMMJDBSS-OCCSQVGLSA-N 430.552 0.539 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 585690241 KJEHFBKNVNPKAL-LJQANCHMSA-N 428.537 0.511 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 611099971 VNTJGGRTEITTOD-ZDUSSCGKSA-N 426.481 0.484 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC2)c1 619859539 UWKRLWBYEAEDGM-NVXWUHKLSA-N 446.533 0.961 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1 728548749 FYGVAFFOAXPWBW-UHFFFAOYSA-N 428.470 0.456 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731889891 QWLSGPRKEBRHNN-ISOHDOPZSA-N 426.882 0.649 30 20 ICED O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCCN/C(O)=C1\N=CC=CC1=O 732444794 SCJKNIFHBPCGSP-FOCLMDBBSA-N 432.481 0.457 30 20 ICED N#CCOc1ccc(CC(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 732495790 QHBQKNMAQKZAJR-UHFFFAOYSA-N 427.438 0.874 30 20 ICED C#CCNC(=O)[C@H](C)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 733796346 DSNVZWSLOHQCCM-HNNXBMFYSA-N 442.379 0.978 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc2c(c1)OCO2 735294988 LMCPSAGUVOSFNV-UHFFFAOYSA-N 437.481 0.654 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2coc3ccccc23)c1=O 758084140 PNVLSBCDYOZVKH-UHFFFAOYSA-N 446.532 0.956 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCOC)c2=O)o1 760379282 VTTDHUPZEVXCOZ-UHFFFAOYSA-N 433.555 0.790 30 20 ICED C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 761218574 AOYMUJQVCXUUMO-AWEZNQCLSA-N 444.465 0.705 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CCO2)c1 762011777 SQSYMGWZKVIEIO-QGZVFWFLSA-N 432.433 0.883 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 772310990 IYIDOOSRLKFPTH-OAHLLOKOSA-N 427.530 0.519 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCOCC2)CC1 778850338 HFJQHZWDTONIOF-UHFFFAOYSA-N 429.433 0.330 30 20 ICED COC[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)OC 781541506 UCMHBDWNMGXPTG-FJGOLAJPSA-N 426.495 0.216 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(Cl)c1OCCOC)[C@H]1CCS(=O)(=O)C1 783481200 OTNRVIHUQNISAI-ZDUSSCGKSA-N 428.894 0.953 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H](C)CO 786018078 CCGVPTYKOREZMN-BBDGKBCFSA-N 440.522 0.028 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 787774955 NDQHARJLMXFUKY-UHFFFAOYSA-N 436.520 0.205 30 20 ICED C=CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800784992 CYSRVKYEAWILIL-OAHLLOKOSA-N 429.568 0.371 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 807001851 DTZIOCFPDNWNNX-SFHVURJKSA-N 448.545 0.554 30 20 ICED C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812118089 QVAUCBKXPUFHEM-MRXNPFEDSA-N 432.502 0.989 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCOC 916198254 IDIUFZJRSTZQAX-UHFFFAOYSA-N 429.542 0.945 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 918892249 XBLRWCDYRJWHQH-AWEZNQCLSA-N 438.506 0.336 30 20 ICED N#CC1(c2ccccn2)CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 1116917566 JEOFUPLLPWLZGI-SFHVURJKSA-N 431.562 0.270 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1297733632 ZYYNSJXQSSOYBT-QGZVFWFLSA-N 429.522 0.530 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCS(=O)(=O)C1 1321961509 YOPUSRMNZHRQCW-INIZCTEOSA-N 427.548 0.684 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1322571457 OUGQBBICFPVCKV-MRXNPFEDSA-N 447.513 0.880 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ncccc1F 1510196519 XGULNOGUBANSLR-SJCJKPOMSA-N 441.464 0.943 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539803950 OZNBJPXWPQSDTL-KKUMJFAQSA-N 449.961 0.604 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1555558445 UOVARCPRTXDGPG-AWEZNQCLSA-N 445.567 0.124 30 20 ICED CN(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1617653694 XIFCCICLBASFSI-MRXNPFEDSA-N 440.508 0.765 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1690346683 ZLMHXNCVSKSPPK-QWHCGFSZSA-N 432.934 0.065 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOC1=O 1692785798 RJRRIOHANQQTTG-LRDDRELGSA-N 429.478 0.173 30 20 ICED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1707492451 JEIVUENWCYPHHB-YJBOKZPZSA-N 444.565 0.817 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1750387695 ZAHNLJJLNHMYTJ-MGPQQGTHSA-N 427.431 0.842 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2C[C@H]3C[C@H]3C2)C1 1779245928 TYLXBOASDUVRMX-LETSXHBSSA-N 444.576 0.699 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)cc1 1781009593 SIHLETBLMSZWPX-NJNPRVFISA-N 426.473 0.989 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781131680 VVAFZIFTIPBVBD-UZQCKINESA-N 430.549 0.693 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174842 STYFQIJLTZBSDO-JOCHJYFZSA-N 429.473 0.892 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc(C(F)(F)F)c1 1782033691 HBDVKIKTMLHDSE-SFHVURJKSA-N 438.410 0.504 30 20 ICED O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1783243442 DBSFQNAYVALXQT-FOIQADDNSA-N 435.571 0.774 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385077 FINDHNYUNCGIOF-FHWLQOOXSA-N 449.548 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(CO)CC3)[C@H]2C1 1785051549 IHIGCZNRZJIQTB-VWSVXHOWSA-N 433.549 0.623 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1785423839 FSDBNMHXMHHSLC-MRXNPFEDSA-N 442.257 0.871 30 20 ICED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1785466206 XOLNTNBYSRGXHX-NASQOASYSA-N 429.502 0.909 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)[C@@H](N)CCC(N)=O)CCC2)cc1 1785837299 BYZQPNZGMLCWEV-MQNTZWLQSA-N 427.505 0.572 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788470974 BJAQBTZOCAXRBA-YMFLFHJQSA-N 448.451 0.355 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600995 QWYGEBAWTZBKGN-VUCUQRJNSA-N 436.557 0.145 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788614852 HDQSIJKKTLWOAY-UGUYLWEFSA-N 427.571 0.251 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676853 PEKLBFOBLKJSRK-NZXNDOPNSA-N 439.534 0.359 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788898803 KHXNVLVIAZJCIX-NHCYSSNCSA-N 428.230 0.241 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795352655 WFRYZTIKQYKXRM-BJWYYQGGSA-N 448.483 0.829 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1795420475 ZRHGIFODVWYRJB-DDFAGTSDSA-N 443.245 0.521 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984275 LSDUVHBHASWQNM-YYIAUSFCSA-N 448.568 0.804 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1796597269 HTCKVIUZCBYZNS-ZZMAYYTGSA-N 432.525 0.204 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797710258 JAJMFYSJDJEWLT-HIRMHNASSA-N 427.501 0.958 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797759568 YCXUTRVPBJHLCQ-CWPLJXCYSA-N 447.536 0.313 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NC(C)=O)C3)c1 1798573702 FCRTZMBXNCXWNR-IZZQQSIFSA-N 428.489 0.685 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799145959 BHOZXSZPGIXNKM-REWWFYARSA-N 445.564 0.449 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)ccc1F 1799325038 VYQBJMLWLYMMNJ-RACNMONISA-N 428.464 0.356 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCOCC1)C2 1800453751 MJBZGSIVXIMTEX-NYUBLWNDSA-N 449.548 0.919 30 20 ICED COc1ccc2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c[nH]c2c1 1800774050 NQSCTIUCNHMBIH-YEZVWNJWSA-N 425.441 0.397 30 20 ICED CC[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 1800778609 KJDGOERYAFJIBT-NXEZDXNNSA-N 437.493 0.357 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc(OCF)cn2)[C@@H]1c1cccnc1 1812874187 IDEANSRLHXJXSW-IFXJQAMLSA-N 427.392 0.585 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(n2)OCCO3)[C@H]1c1cccnc1 1812878483 IMEKUMLCABTFJY-QRWLVFNGSA-N 436.424 0.655 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2ON=C(c3ccccc3)O2)[C@@H]1c1cccnc1 1812880424 KEHZRGGAKBMGRK-WGGBDISSSA-N 448.435 0.910 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(n3)NC(=O)CC4)sc2C1 1816667264 KSOOARBSPHHBHZ-NSHDSACASA-N 439.453 0.737 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890428 RMNUPAMFXMONBI-GOEBONIOSA-N 449.577 0.810 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819481064 LGSTYUXWWQCJDJ-ZFJBLLOBSA-N 446.508 0.401 30 20 ICED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)c(C#N)c1 1822808293 YUABQDGYCLFHIS-ZFWWWQNUSA-N 428.518 0.464 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829846069 MCLZBHKDVBUKBC-NFBKMPQASA-N 442.516 0.472 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898923 NVMJPXXVHZGGQT-HSZRJFAPSA-N 442.516 0.472 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829959383 DYQJBSMDJCFUOD-OPAMFIHVSA-N 444.463 0.294 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)COC1 1830025408 LYUCHBDJOSVEML-QHCPKHFHSA-N 427.501 0.984 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063128 JNLZYIHXRFQJER-HXOBKFHXSA-N 442.516 0.811 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830739830 RVBFZNRHGHDULB-KKSFZXQISA-N 438.525 0.907 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831205209 KZGSSEKEKDHYLF-LJQANCHMSA-N 431.480 0.961 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831386656 BVNGFKMHMBIUBB-NTKDMRAZSA-N 439.512 0.986 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1831393602 YRCNYTRXPUIDFT-MONBJTKQSA-N 428.485 0.485 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1831403947 CLOIOKOPOBCGMW-LJQANCHMSA-N 439.538 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833521988 FHQJVHFMASNMEI-HNNXBMFYSA-N 436.553 0.579 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@](C)(O)C(F)(F)F)CC2)CC1 1833638927 LEFBYSYJZWOCFL-AUUYWEPGSA-N 433.471 0.910 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3cncnc3)CC2)CC1 1833861961 QDDHHNGGAYJCKR-ARJAWSKDSA-N 440.548 0.449 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593960 KSSCGHLNDXKXIL-JMQQFMRHSA-N 449.460 0.239 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c1 1834877180 SEEKNFFCMGNHPG-UHFFFAOYSA-N 436.520 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835284967 FEWPOYTYKNCZHJ-PTJLSLTLSA-N 443.500 0.035 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cnc(O)[nH]1 1835965181 SKBIAKOLVVLMAZ-UHFFFAOYSA-N 443.548 0.999 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998367 WMBFHTJXFFDOHL-UTKZUKDTSA-N 434.493 0.106 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1837396378 BPERJUNCTVMEAC-VGOFRKELSA-N 449.504 0.039 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837488987 WPEDZEPBMWDJRT-QHCPKHFHSA-N 444.532 0.497 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530438 MRYJEEVOOXUHOK-WVMHDHGMSA-N 440.541 0.312 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530932 UKGXSBICHLEWML-VBPKSARUSA-N 439.509 0.587 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837564321 HJZPMJJBWYCITC-IQTGRTGDSA-N 429.477 0.429 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)c(Cl)c1)CCO2 1837919016 XYJLZNNHWYZYJX-SFHVURJKSA-N 442.255 0.546 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c1 1839879951 ZZEZGZBQWJWEFE-OYHNWAKOSA-N 444.488 0.161 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840165908 NLQXLHDATHFYDG-QVKFZJNVSA-N 436.530 0.790 30 20 ICED O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840325353 VAPNGRJHFYKROK-XZEIMLRBSA-N 429.477 0.511 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840820999 VAESPMRRRULIJQ-WMZHIEFXSA-N 443.500 0.820 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCOC2)CCO3)cc1 1840871390 GISVKFGQOHGOSY-NZQKXSOJSA-N 427.501 0.984 30 20 ICED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1840929299 NJQLHSRIPAMVJK-GCJKJVERSA-N 438.569 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841599269 SCVGYOWCLRYGIC-KRWDZBQOSA-N 439.516 0.263 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1845106803 GYNOXENUFVPGDW-DOTOQJQBSA-N 443.504 0.931 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1846414313 ZRKDQYZPVPRUHX-SIKLNZKXSA-N 441.528 0.743 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3C(=O)CCC3=O)CC2)cc1 111126634 MEERWOKDCLNZKX-UHFFFAOYSA-N 432.502 0.614 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCCN2CCN(c3ncccn3)CC2)CC1 303780478 LKMSOXSSYYXSCH-UHFFFAOYSA-N 432.573 0.856 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 410114567 FYDJRRDGINQYAC-IBGZPJMESA-N 434.562 0.547 30 20 ICED N#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 429660112 NDAGSHUWLSYTDU-LLVKDONJSA-N 426.804 0.911 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)C1=O 440271984 YZJKSASHRDLLQV-KRWDZBQOSA-N 448.907 0.996 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1OC 444509132 WPDOJNJHZZQPCP-UHFFFAOYSA-N 440.460 0.737 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1S(=O)(=O)NCC#N 446518605 BVHFUXHMGNNEIU-USJZOSNVSA-N 442.497 0.334 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CO1 462447177 VECGHZGIRLZAFJ-HUUCEWRRSA-N 428.536 0.219 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 465273693 RMYYUNWRBRRIND-MJGOQNOKSA-N 441.536 0.099 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3F)c(=O)n2C)CC1 470457777 HRGIYPCYTZFNEA-UHFFFAOYSA-N 434.924 0.906 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)c1 478302996 BEHLNVVDWUTFQC-KRWDZBQOSA-N 449.577 0.799 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 480520039 DIXIDFKFPCJABK-MRXNPFEDSA-N 442.545 0.688 30 20 ICED N#Cc1csc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)c1 481037890 NWHJMRCBEWSXEL-UHFFFAOYSA-N 429.523 0.290 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 482457626 SZNZPOYPVWYOCH-OCCSQVGLSA-N 437.503 0.420 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 488981344 MTSMKGNWNBXFLA-OAHLLOKOSA-N 435.509 0.928 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 501087232 FSAPIUXEJDLNTO-UHFFFAOYSA-N 437.504 0.444 30 20 ICED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 506725513 QFBBSOCZXGJVIT-LBPRGKRZSA-N 430.433 0.981 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 506734018 UARJEHUCWLXKMI-XJKSGUPXSA-N 437.522 0.767 30 20 ICED CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccc(Cl)cc21 508324059 HUKDPWRHTZARNY-LBPRGKRZSA-N 429.868 0.528 30 20 ICED CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 508996950 KIWYLMDTQDXRKG-UHFFFAOYSA-N 429.458 0.206 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCN(CC)CC2)C1=O 515076493 ZPJPVWLFPNFATO-NRFANRHFSA-N 441.576 0.686 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N=c1ncn(Cc2ccc(Cl)cc2)[nH]1 516239635 LVUOXWJLXVJBAG-UHFFFAOYSA-N 441.883 0.608 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c(OCC(=O)N(C)C)c1 518580678 SCBODNQZTZDIIV-UHFFFAOYSA-N 427.465 0.327 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523256141 VMRKHOIGKBKLAN-UHFFFAOYSA-N 440.431 0.525 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1CC(C)C 532072043 IVSRJNLKKRUIKS-CQSZACIVSA-N 443.525 0.755 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1 532667097 FZULRJPBWLMWMM-UHFFFAOYSA-N 437.382 0.831 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc([N+](=O)[O-])c3)n(CC(N)=O)c2=O)cc1 537165333 ZLFQUHJYGHKZET-UHFFFAOYSA-N 448.460 0.998 30 20 ICED C=CCNC(=O)CNC(=O)c1cnc2sc(C(=O)NCC(=O)NCC=C)c(C)c2c1 538624125 KMEXQKVEHOATNP-UHFFFAOYSA-N 429.502 0.669 30 20 ICED CC[C@H](C)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 542591226 RTMWQDURDZEZBR-KXBFYZLASA-N 436.534 0.568 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 551497760 FCUHRPYLOOHSAK-PMACEKPBSA-N 433.516 0.798 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 552612219 OFDPGZUVOVRETM-OAHLLOKOSA-N 429.564 0.895 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2sccc2Br)CC1 552882591 SOKOERSIRABOJM-UHFFFAOYSA-N 429.340 0.573 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2=O)cc1 561613677 IBRZYIQFVNCNDN-CEXWTWQISA-N 426.473 0.182 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 579275768 NTDNHBIZQIVLDM-JPYJTQIMSA-N 440.500 0.572 30 20 ICED CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124556 CBJXPDBRYHJDBK-UHFFFAOYSA-N 427.505 0.474 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588232613 QYGSZSKUNGUXQW-CVEARBPZSA-N 442.520 0.835 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc(Br)cc(C#N)c2=O)CC1 589258831 YELJFMYBWQKTOA-UHFFFAOYSA-N 438.326 0.541 30 20 ICED C=CCNC(=O)NC(=O)CSc1nnc(SCC(=O)NC(=O)NCC=C)n1C 603565192 OHOSSHITSUPAAE-UHFFFAOYSA-N 427.512 0.023 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccn2)c1=O 608912664 UCAKDNYWDRMYLF-UHFFFAOYSA-N 425.558 0.674 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 609632216 YIDMKYUQPVUCRP-UHFFFAOYSA-N 438.487 0.254 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610807135 AOKSAYFIYZXNJS-GDBMZVCRSA-N 441.513 0.719 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1 615634234 WYLCTDRJKSXNOV-LJQANCHMSA-N 437.497 0.415 30 20 ICED CNC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726518733 GDTXHKLVLGVWLQ-UHFFFAOYSA-N 435.550 0.176 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2I)CC1 728530927 ZQWSSSCFGYRRRF-UHFFFAOYSA-N 429.233 0.938 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC 734566148 AKQAGXVVFQEUPH-GOSISDBHSA-N 433.442 0.624 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1 741685821 DHPWMJDTSBIEHM-UHFFFAOYSA-N 432.546 0.432 30 20 ICED CC(C)N1C(=O)C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751400060 PMSMROVOTBSYPV-OAHLLOKOSA-N 434.518 0.938 30 20 ICED COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 753559882 QSHHLRZYQCZYJV-PFONDFGASA-N 432.458 0.993 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 761023273 GFJQITDOVLXMIF-UHFFFAOYSA-N 427.592 0.843 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763456516 ZLPNZYFNXFSQLX-UHFFFAOYSA-N 432.571 0.363 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccn(C)c2)c1=O 763460325 GBMCBJZAMXNQOT-UHFFFAOYSA-N 449.536 0.503 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)oc2C)c1=O 767952801 MTPJATDNAFOZPY-UHFFFAOYSA-N 433.530 0.812 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)c1cc[nH]n1 770822951 WQNOARRDCXVQML-IBGZPJMESA-N 442.476 0.064 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771295622 IXQMJCROIZSRHO-XOBRGWDASA-N 435.502 0.664 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2cnn(C)c2)c1=O 771641327 JWMVBNOJQFULQL-UHFFFAOYSA-N 432.461 0.434 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 781911456 XZFIIQYAQPWJLP-QAPCUYQASA-N 437.456 0.604 30 20 ICED Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 783014020 JNKRCBSBLAVTOA-CYBMUJFWSA-N 428.478 0.109 30 20 ICED CN(CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 788890909 XKJYBGQXEWDOQO-UHFFFAOYSA-N 430.509 0.975 30 20 ICED COC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C(N)=O 791792018 VWUOCYOFJJASOO-JZRFMTABSA-N 425.511 0.901 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)[C@H](C#N)C1 795155127 CBIVPMDYFYEYBL-DGCLKSJQSA-N 430.508 0.522 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)o1 796490849 OKLRAEKFXZPDGK-INIZCTEOSA-N 443.508 0.948 30 20 ICED Cc1oc(C#N)cc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 797884729 TVZUSYVUBLVFNV-UHFFFAOYSA-N 447.469 0.954 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCOC)C1=O 798584323 NVXDTARQZHRRFL-VGSWGCGISA-N 427.457 0.942 30 20 ICED C#CCC[C@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 799204718 QDPVGPFNZHXUDT-CABCVRRESA-N 429.520 0.048 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)nn1 812960115 DNIZYDUDRUBITK-UHFFFAOYSA-N 434.416 0.487 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1292723960 BPPOPIIJQDJURX-SCLBCKFNSA-N 449.558 0.828 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)CC)CC1 1296289605 TVQHMBPWQOCCAA-HKBQPEDESA-N 443.577 0.843 30 20 ICED COCCN(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316067052 YLGOVQXILXLARL-ZWKOTPCHSA-N 430.557 0.374 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCOC2)cc1 1316533507 SHLJLJBZZLQLOX-IBGZPJMESA-N 433.490 0.115 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc2c(c1)OCO2 1509697035 QNCBOVZKVVLVQI-OAHLLOKOSA-N 428.449 0.953 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O 1769078076 WDRVSEYJYKFHFQ-INIZCTEOSA-N 444.517 0.442 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1771084143 QOLTZHPUSJJVEH-UHFFFAOYSA-N 432.550 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777714350 OMRFGWZCGUYDHN-RMUOZIPVSA-N 425.445 0.525 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976640 MIQSOJRTRZIGSP-KABCZVCOSA-N 442.476 0.702 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1779021236 LLVKFJGGPLSXPQ-XWRADEMYSA-N 425.493 0.873 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779101658 SDEQUOJQBOMTPN-KABCZVCOSA-N 447.492 0.848 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779420120 OEHHHCGMTLSISH-OQOCAEIUSA-N 447.492 0.839 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)c1 1780173705 BHJBFFASJFJPSZ-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1780331979 GJEJSLNKHQWALT-HXUWFJFHSA-N 443.485 0.442 30 20 ICED O=C1CSc2ncc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1782420360 CDWSUOKWQPKKIA-NRFANRHFSA-N 426.498 0.983 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)c1 1782750029 CSHBMJQFCOTKSM-NYHFZMIOSA-N 442.472 0.300 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)ccnc1F)CCO2 1783050429 SWRZRSHCDXWNDE-INIZCTEOSA-N 443.216 0.902 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncsc1Br)CCO2 1783562059 ZSMLKNVBNHKYFC-OAHLLOKOSA-N 428.264 0.437 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604202 ASHDDYOQROPQEW-TTYHFUOFSA-N 426.517 0.995 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)CCC1=O 1783604454 NINXZDUWTFWZNY-BJLQDIEVSA-N 437.500 0.689 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C4CN(C)C4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784087911 CTKJYIDITHVUEJ-FDDCHVKYSA-N 448.564 0.944 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784725131 ZORZIPQINXOCET-PNLZDCPESA-N 435.521 0.769 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1785078779 NFPKGUCXBAXKNJ-CGYQNGNCSA-N 442.516 0.908 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)C[C@@H]21)C(=O)O 1786900048 SHQZPBZKZNUOFM-SSRYDLFMSA-N 442.516 0.970 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ccncc34)[C@H]2C1 1787339530 VHJDMPKVSIDYFJ-ZVZYQTTQSA-N 439.520 0.833 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787499240 AGEWNGJZCKEZFE-PEDHHIEDSA-N 444.504 0.980 30 20 ICED CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1787669023 ALLKFWGVPBZGBH-IRYRZFEGSA-N 448.524 0.981 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CCC)[C@H]2C1 1788737557 ANEZRHINQSSCMC-JROFNHFXSA-N 434.537 0.129 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)cc1 1789570748 QKUSKRXDBYJBGH-ACRUOGEOSA-N 426.517 0.874 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1789956648 UOQSULRSZFYCES-VGWMRTNUSA-N 429.481 0.519 30 20 ICED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791311561 RVLXOVQYPVGZOC-YAYBPQFFSA-N 444.410 0.357 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)c1 1791343978 DBKMEUHFFFLRNK-TUFLPTIASA-N 438.528 0.997 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CNC(=O)OC(C)(C)C 1792989648 BVFTWISYABFLCU-MDMSPXHWSA-N 437.537 0.775 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2 1793340482 XNAMXROEBBJEAI-GKICUZSHSA-N 428.485 0.844 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1793340801 OMQUPMQEBGZSBP-MFCZKXCZSA-N 443.525 0.691 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795349341 WCUKNKDUBSKZOB-QDMKHBRRSA-N 427.509 0.160 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(OC)c1F 1795910752 RZWJEKQIMXKGLW-ZSBFGKGUSA-N 435.452 0.942 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384662 MIUYSJPGWJKMDR-FQUUOJAGSA-N 437.522 0.891 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797304420 KMEYROQAKRIJSF-CEQLMSFQSA-N 434.581 0.733 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc([N+](=O)[O-])[nH]1 1798747369 ZLGDJJKMMJGFJA-AACUENJTSA-N 435.437 0.655 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)CCC1=O 1799323069 QWFRQZNNTQUAJG-VPTLXERWSA-N 441.463 0.438 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1799393059 SGUIAAQLFGXJII-ZJOBFFGXSA-N 447.517 0.760 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)ccc1-n1ccnn1 1799866262 JVTVWTXKOLYPMZ-UGNRZPKXSA-N 437.500 0.817 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1802022328 QBKAZLXCLNZQBH-JLVBRIDZSA-N 425.445 0.295 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1807146135 WCKVNNNIVCVEHU-AEFFLSMTSA-N 435.550 0.414 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812671540 GUBUQSSFHYANFD-ZBFHGGJFSA-N 438.431 0.842 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813338196 GJRJZIXUPJFAPB-SYYKKAFVSA-N 436.516 0.971 30 20 ICED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)[nH]n2)CC1 1817108444 AVXPRNBSXIRQJL-HNNXBMFYSA-N 434.522 0.436 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CC2 1825011104 QNTOTTTUIUHOBX-IAISJRAMSA-N 426.498 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3CC)C2)C1 1829768711 FZBJGBSNYAATQH-RMUOZIPVSA-N 448.545 0.634 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1829773732 RZMYVSFDQMPPSA-ZTWVJJDTSA-N 437.562 0.444 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)ccn1 1830056699 NYEWZZYUXQESGH-NRFANRHFSA-N 429.477 0.660 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(C)c3)C2)C1 1831386189 BULWMMKPFMPKDV-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1831393328 XDTDLPRIFYRWCA-GAJHUEQPSA-N 438.484 0.738 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2)C(C)(C)C 1831481943 BZVWDNKGYKOLIO-CBGDNZLLSA-N 443.610 0.948 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831484573 ZVVBFUWQCIGIGC-AZUAARDMSA-N 429.583 0.704 30 20 ICED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1832545077 JRNVJGPKGPTZKY-JOCHJYFZSA-N 448.520 0.924 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762459 BYQSDKRVIQINRR-MOPGFXCFSA-N 445.564 0.925 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835239693 CWBOYNRTICBEFR-QHCPKHFHSA-N 445.516 0.610 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1835354091 LTCWVCUYFIXBCI-QFIPXVFZSA-N 443.504 0.292 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1Cl 1836129299 VXXQZQFBOWTGRP-SFHVURJKSA-N 432.956 0.683 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2)C(F)(F)F 1837171326 KBJUMCXDQJDCCK-SFHVURJKSA-N 439.394 0.918 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837319816 IGLHPVYKJMVGRN-GOSISDBHSA-N 434.411 0.742 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2)C(F)(F)F 1837485128 ALUHMRZXQOAQKT-KBXCAEBGSA-N 443.426 0.852 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2)C(F)(F)F 1837485129 ALUHMRZXQOAQKT-KDOFPFPSSA-N 443.426 0.852 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837488524 IQHKXMDCGSGOJK-QHCPKHFHSA-N 445.491 0.989 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n(C)n1 1837561549 SWNLYGQFGRRDON-FFCJBUTOSA-N 445.476 0.211 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc(Cl)n4)CCO3)C2)c1 1837925071 WXANPWKAVLDKEA-LJQANCHMSA-N 430.852 0.714 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838193409 DNNIVKBEVXQZMI-VGOFRKELSA-N 430.505 0.256 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734889 OOGQHLXEEAEEII-ZHRRBRCNSA-N 438.488 0.852 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1839173938 WOMNLIGQFUYHKD-NRFANRHFSA-N 435.452 0.800 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1839175230 WFCCOOGOCSCLLH-NRFANRHFSA-N 435.477 0.816 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839228469 FDAUXQSKLCYZQL-UZLBHIALSA-N 435.481 0.113 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cc1O 1839361463 MKBDAUMKABAUTA-QFIPXVFZSA-N 439.472 0.576 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1839420516 NNBNZIIDOCDQSD-QFIPXVFZSA-N 446.479 0.100 30 20 ICED COc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839996807 OSIZSRJIKNXBGI-BDNZGDGKSA-N 428.441 0.253 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1840044938 IPDGWEKIGQOQJJ-DOXZYTNZSA-N 446.422 0.900 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840158530 NAHRPQPVHVJMCC-IFXJQAMLSA-N 431.555 0.628 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)cc1 1840323216 WXAHRHXJNQZLCI-HSZRJFAPSA-N 437.500 0.913 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1840399883 NVFRBEFBEYEOKA-HXUWFJFHSA-N 429.502 0.964 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840428244 FTCWQQVVLSHONX-KNQAVFIVSA-N 434.537 0.958 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)ccc1F 1840538130 YAHKPXNMEVJEQM-JTSKRJEESA-N 431.464 0.733 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840900261 KJQZEHSBUANKGT-VGOFRKELSA-N 428.489 0.565 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844178988 QKBFKPJNVNCNTO-QXPKXGMISA-N 444.532 0.941 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1847805951 XRXMOORLQGNZSE-IUUWJXCHSA-N 449.548 0.987 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 229643944 PVXCXCORVQKWHI-IXDOHACOSA-N 435.550 0.857 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/C[C@H](O)CS(=O)(=O)c2cccs2)CC1 305223093 WYJRAPWEVHNBCR-ZDUSSCGKSA-N 432.568 0.750 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)C1=O 440245295 UNGBDNSBUQBAGK-IBGZPJMESA-N 427.505 0.539 30 20 ICED COCCN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440629318 XZKVWBRJLLVZBX-PMACEKPBSA-N 434.562 0.531 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCSC 443547528 AYAULTMOLJQPLA-UHFFFAOYSA-N 439.584 0.609 30 20 ICED COc1ccc(Cn2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)n2)cc1 446534191 YLVHJLFJHJVQTJ-UHFFFAOYSA-N 440.504 0.953 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCN1CC(F)F 460732051 ZDZYAHHFYIRYBV-OAHLLOKOSA-N 431.447 1.574 30 20 ICED Cc1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 467603547 YMGTVNUSIZDFGB-HJWYETAXSA-N 435.531 0.476 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 470830660 JFGAEWJCPFUUIA-UHFFFAOYSA-N 437.547 0.936 30 20 ICED COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 471929007 KJZAPDJUBHAHHW-LJQANCHMSA-N 429.521 0.812 30 20 ICED CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 475383293 MAHPXLXHZMGVCL-IIBYNOLFSA-N 426.477 0.819 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1 475440534 OGPNSGKMJGPIRS-MRXNPFEDSA-N 427.486 0.918 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480176794 APZCAYDOLXAYMZ-UHFFFAOYSA-N 443.525 0.747 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 481379813 VYMULLSTOMEFQM-CQSZACIVSA-N 441.510 0.728 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 488987265 TUKNKZIDRXHRKD-CYBMUJFWSA-N 429.454 0.955 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490039811 JZIWODSHTNCKEZ-CQSZACIVSA-N 442.505 0.234 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OCC)cc1 502057676 XLRWIRDQRZUTIV-UHFFFAOYSA-N 435.509 0.836 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508955305 FLKPJICEHFBUCQ-HZPDHXFCSA-N 435.554 0.935 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@]12C(=O)Nc1ccccc12 514020855 SPBOSOBPRYSPPH-QRWLVFNGSA-N 431.518 0.761 30 20 ICED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(OC(F)(F)F)cc1 530877301 RJYMINWQZZQFOX-ZDUSSCGKSA-N 445.379 0.672 30 20 ICED Cc1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1S(=O)(=O)NCC#N 537793416 GAALQMHHOIRUCB-UHFFFAOYSA-N 426.458 0.934 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 540290477 FCOWXVGXJCGXRP-UHFFFAOYSA-N 441.532 0.847 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCO1 549853323 CULREMDRGPWAJS-ZWKOTPCHSA-N 426.477 0.859 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1=O 552510165 ZTZLEDHCXBSXJG-LJQANCHMSA-N 444.532 0.259 30 20 ICED Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1S(=O)(=O)NCC#N 555443498 NZAGHEUYOOAFEL-UHFFFAOYSA-N 442.545 0.874 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 558229532 CNTIMLVIYJSZBP-UHFFFAOYSA-N 436.472 0.503 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 559858741 XDJQBGBHDCTXPG-UHFFFAOYSA-N 438.536 0.193 30 20 ICED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 561452181 QLAYGPOFYNCQAZ-UHFFFAOYSA-N 448.526 0.828 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCO1 561678787 ZQXOYRUNTMCSSD-TZIWHRDSSA-N 427.549 0.840 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 563318778 GKCLTWUSRBJXTH-NRFANRHFSA-N 429.565 0.921 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 568835392 KBTKZCGZYXACHJ-KRWDZBQOSA-N 433.476 0.655 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 573642785 UKVWFZZNFSJPPJ-CQSZACIVSA-N 427.914 0.927 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 587687934 CHXOWLVKEXPBNC-IRXDYDNUSA-N 429.521 0.421 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 615315203 IEOPSMVXYCBAFX-LJQANCHMSA-N 429.521 0.830 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)cc1 619877195 WCMMIALQJCWBFY-INIZCTEOSA-N 446.451 0.654 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 726581046 KHNYQMMAKMPALE-UHFFFAOYSA-N 431.521 0.889 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1 728533981 VVAPZBNOKLGTHH-UHFFFAOYSA-N 429.502 0.731 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 732957210 PJNQUYDDUPCBFR-SFHVURJKSA-N 448.501 0.736 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 733364936 VRBZDMBJFANTBG-UXHICEINSA-N 442.516 0.042 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)ccc1F 742018643 IVFWFAUBBHGMPO-OAHLLOKOSA-N 435.481 0.949 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CC1 747979757 MXUPXKVZUJYJFC-UHFFFAOYSA-N 449.552 0.675 30 20 ICED CC1(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 773215531 VETIFUSKRMGBAA-UHFFFAOYSA-N 435.502 0.894 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 782660245 BJRJVHRZFGTOCC-UHFFFAOYSA-N 446.451 0.845 30 20 ICED Cc1cn2c(n1)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)CC2 782828223 ACJPYVJSBNNOLU-HAVVHWLPSA-N 444.517 0.985 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)nc12 783303649 SBVSQGFQWYTSGS-UHFFFAOYSA-N 441.469 0.894 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783618359 PJQVXEYASQQMSN-HNNXBMFYSA-N 427.548 0.857 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 787748137 WQYBNFGPKLOUTB-LBPRGKRZSA-N 446.441 0.589 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCSC2)C1=O 794440191 BJGYGNVTZVKAEW-POUSTFRKSA-N 442.588 0.776 30 20 ICED C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC)CC1 802422966 QFBXHXDURFMKQQ-UHFFFAOYSA-N 431.566 0.948 30 20 ICED CN(CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)S(=O)(=O)c1ccccc1 816127984 QKFCVMKYFYSQOY-UHFFFAOYSA-N 438.443 0.592 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 912524346 PYOZDRZSYBLKGB-ZHZULCJRSA-N 441.491 0.810 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(CCC#N)c1ccccc1 914655871 RDNXYJJYTOLHMC-BQFCYCMXSA-N 447.513 0.901 30 20 ICED COc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1OCC(N)=O 916178645 IFJPGZXFCNDFFF-UHFFFAOYSA-N 433.442 0.699 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2n1CCOC2 1320706980 JEPTVDHBMBPYTP-UHFFFAOYSA-N 432.506 0.724 30 20 ICED N#Cc1ccc(N2CCC(N3CCNC3=O)CC2)nc1N1CCC(N2CCNC2=O)CC1 1320784479 WFIXSGWMVVGVHE-UHFFFAOYSA-N 438.536 0.941 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1503280445 NHVCTHHNRDCVIJ-MRXNPFEDSA-N 445.505 0.397 30 20 ICED CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503300382 RSWBLFLDEBVYIO-AZYRPFHASA-N 442.549 0.591 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509217749 SWPXOZCIVKMQQE-SJLPKXTDSA-N 435.598 0.935 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)c(=O)nc1O 1610949807 SRVQLPPHSPUMCX-UHFFFAOYSA-N 428.424 0.133 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1618847318 PVJSLYLTHCBDTH-INIZCTEOSA-N 436.494 0.144 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1OC 1620145492 WCCGGRATMIABAH-HDICACEKSA-N 426.477 0.526 30 20 ICED CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1698298147 KWKXKDZWXVHZJA-HXUWFJFHSA-N 431.518 0.982 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCC1 1723951695 BWRCWHFSVRRMKR-WBVHZDCISA-N 436.586 0.161 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1741924128 SXLMBDNHDHRHDY-BLLLJJGKSA-N 448.546 0.155 30 20 ICED CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1750565792 MFLJMSBPVSWMMT-UHFFFAOYSA-N 439.520 0.884 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760306966 LYTAZHJVRNLXIK-NWDGAFQWSA-N 447.359 0.656 30 20 ICED COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1770757989 ZBGVQNNQXBRJAL-IAGOWNOFSA-N 440.508 0.763 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CCO1 1771537394 NOTHLAOCZYZKJW-NEPJUHHUSA-N 427.437 0.549 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1781269291 JIWPPHRYKSZOBU-NRFANRHFSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1781271162 BKEMSRCWOBXDCE-NRFANRHFSA-N 434.445 0.756 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)ccc1F 1781300007 LQKWYTCISSNTRA-QFIPXVFZSA-N 439.447 0.327 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814425 SQGBZHPXWGUCCK-DTXYYNOZSA-N 449.460 0.776 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1782873998 CDFPHNLENZXUGE-RPBOFIJWSA-N 448.523 0.863 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1785273850 CZGQCOBVRLRETE-HXUWFJFHSA-N 433.848 0.830 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1)C(F)(F)F 1788671577 KCZGKJCBVXWXGW-YDHLFZDLSA-N 444.410 0.811 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311487 JKCZYDAWQLOSLS-ZJQBRPOHSA-N 425.473 0.599 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1792257406 FEJUIVOEFSUUNP-DKIMLUQUSA-N 445.520 0.920 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1 1793256855 VGULNNHFJSZZJV-OPMZPASUSA-N 430.526 0.772 30 20 ICED CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1794295549 ZYKUJAQTOLAWQD-OFISNVQSSA-N 428.537 0.823 30 20 ICED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(F)(F)F 1797808543 JCCVQBYCHKFVRK-PZMYTESMSA-N 437.415 0.418 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccc(O)cc1 1799294954 PBCUJMIULFYKJK-YQFPCMRRSA-N 427.501 0.944 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799627885 QTGFSLKHHJBMAC-FAQVEIGNSA-N 448.479 0.939 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807744016 YDUAAOBFIAENED-FOIQADDNSA-N 441.513 0.966 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810361053 NAZKEFAVRKOPAV-WZCRPKMFSA-N 445.520 0.339 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812530043 PGWKUILNGZNBAZ-QKLQHJQFSA-N 430.505 0.996 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1 1821157088 ULPJBAQCZHJPGJ-SECBINFHSA-N 443.466 0.526 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1823080532 XSSCSGYYNFQPLX-WDEREUQCSA-N 447.454 0.581 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824769047 MFVGLKBFKMIRPN-PKOBYXMFSA-N 429.517 0.960 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826139462 RXVWTEXHZNUPRN-VHSXEESVSA-N 432.424 0.772 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nnc1C)CCN2C(=O)OCc1ccccc1 1829031199 JHYJRZYNXOIMNH-JOCHJYFZSA-N 436.472 0.812 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C(=O)OCc1ccccc1 1829175373 BDGMRGRGUYRBOL-QHCPKHFHSA-N 449.467 0.469 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnnn3C)C2)C1 1829260302 NFODKFWNFSBTEE-JOCHJYFZSA-N 436.472 0.514 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829476213 QDMLAJZOBYGJQC-QFIPXVFZSA-N 443.504 0.683 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3)C2)C1 1829765304 TUHIEAURVMWIBW-DFWCCGOPSA-N 441.528 0.934 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829822975 DKCGTJWPZUXCKA-HVHIPWAVSA-N 434.493 0.241 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1831398700 JHFCIUGXBUZKTQ-BTYIYWSLSA-N 449.435 0.842 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)nc2s1 1832109708 ACOMYYJYYDADSV-SGTLLEGYSA-N 439.563 0.416 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1832771791 CPGMQKIKTOSVDR-JOCHJYFZSA-N 428.489 0.783 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833474886 CJGGSVFCZGDNCR-JTGQJZMRSA-N 432.565 0.984 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833709623 RVUZEXJWYGDSFJ-MGPUTAFESA-N 439.488 0.739 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1834162082 ZTINZYANKLWFTD-QHCPKHFHSA-N 444.532 0.497 30 20 ICED CN1CCN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2)CC1 1834753804 RABIHAQXDQYCSM-HSZRJFAPSA-N 441.532 0.422 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834775052 MZTWNXHEWJZHII-AIRUHKMPSA-N 425.482 0.363 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835109943 KJBOADXLEQVXAC-CZUORRHYSA-N 448.593 0.910 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1835354910 JVIVPVOVKXBYKJ-AWEZNQCLSA-N 425.335 0.102 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835688627 DJTDGXMTAHCPGA-WCAVRKLYSA-N 446.548 0.912 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836378435 YHPBFBQHKNRANK-ZBEGNZNMSA-N 434.440 0.884 30 20 ICED C[C@@H](NC=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1836403934 SAHSPDZUXOMLQY-MRXNPFEDSA-N 443.523 0.946 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108967 VIMYRNMDZBSWBS-QHCPKHFHSA-N 446.592 0.416 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379254 WFVNCKCYOZMFBA-QFIPXVFZSA-N 438.488 0.887 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1839453938 KDNMNQPSKRESCE-IIBYNOLFSA-N 439.476 0.184 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840199788 LOHOVEMTOXTCOW-KNQAVFIVSA-N 447.557 0.937 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263427 ORCYKEHDYAMLNY-JOCHJYFZSA-N 433.505 0.360 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875089 CBCJEASTNZULTC-XXBNENTESA-N 434.533 0.568 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841298715 FFVINNORJKWDHO-HNNXBMFYSA-N 437.541 0.357 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1847082834 VQZWUQRRRJYDMV-IVZQSRNASA-N 449.552 0.930 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 427898688 AZSGSIBZOBQECC-UHFFFAOYSA-N 438.487 0.663 30 20 ICED C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 438389201 SLHOZSBGEQXBRP-UHFFFAOYSA-N 437.459 0.659 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H](C)CC#N 438872670 GBMHORPLKUCIIW-CQSZACIVSA-N 438.506 0.852 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)Cc2cccnc2)cc1 439401487 DIXOQQHLSJULGH-UHFFFAOYSA-N 432.502 0.848 30 20 ICED N#Cc1cccc(CCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 440140142 VFFMUUNUFACACV-NRFANRHFSA-N 448.479 0.870 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 442343982 CKIADEDBSYTJEO-UHFFFAOYSA-N 443.894 0.715 30 20 ICED N#C[C@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 479820204 CIMDKADMZJQECE-AWEZNQCLSA-N 428.430 0.834 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C3CC3)c2=O)o1 480939033 YWPBBMMJNQWHEI-OAHLLOKOSA-N 429.498 0.782 30 20 ICED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 482007231 KDOPIFLEXRSKHA-MRXNPFEDSA-N 431.880 0.645 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 486822733 ONAASTZPPCZWDB-UHFFFAOYSA-N 435.427 0.875 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1F 489124368 PPFLLAITKHPBGT-UHFFFAOYSA-N 442.450 0.084 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 494122290 BFJYBBQHVVGWLU-YSVLISHTSA-N 434.518 0.557 30 20 ICED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 508845063 MJPIOYGCAWYUCF-CQSZACIVSA-N 433.538 0.684 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 509420333 XCKOBOBXYYVDSE-OAHLLOKOSA-N 426.564 0.960 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#Cc1ccccc1 514935348 DTMMYZJDLAUUMW-LJQANCHMSA-N 434.539 0.936 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 516209848 PMNWSZUVLSLZHM-MRXNPFEDSA-N 427.498 0.804 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 524242868 KOZKXWUSKNWQPN-UHFFFAOYSA-N 444.488 0.110 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)n1 540277936 UNJWCVFGHVWKDW-UHFFFAOYSA-N 438.492 0.524 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542086491 XWUCNTVXSSBLRN-UHFFFAOYSA-N 427.440 0.102 30 20 ICED C=CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 542816849 KWOLFEYVTDOXHU-UHFFFAOYSA-N 440.547 0.953 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2)c1C#N 550749280 KCKIDAYMRRHPNF-GOSISDBHSA-N 445.568 0.112 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 553527543 HXYPQGXXKZIHBF-TZIWHRDSSA-N 441.576 0.602 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2cnccc2C#N)CC1 553697993 GWVHRVVWSIKYAH-UHFFFAOYSA-N 432.488 0.993 30 20 ICED Cn1c(NCC(=O)Nc2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O 557670898 IEMCNGDZLHEZJF-UHFFFAOYSA-N 439.213 0.611 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 561704226 LHWYBIUDMUXTSX-GOSISDBHSA-N 433.472 0.309 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1-c1ccc(C(N)=O)cc1 562491289 SEYFHPBRKQFVHM-UHFFFAOYSA-N 444.925 0.962 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1C#N 574072017 ORLJWZNWPVMYFN-UHFFFAOYSA-N 432.487 0.364 30 20 ICED CC(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 583462647 RZHOQHCJRPUQAB-GOSISDBHSA-N 425.489 0.102 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c1=O 589160136 CIDSFDFUPWLFQX-UHFFFAOYSA-N 447.582 0.886 30 20 ICED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 603445994 OZACYYBOMFQWHH-ZDUSSCGKSA-N 436.515 0.704 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 610807167 OEZPCBHWQQADEY-VQIMIIECSA-N 433.578 0.852 30 20 ICED CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732452221 VVTJIGYIUVSQKO-ZCXUNETKSA-N 435.506 0.699 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 733149487 HTALVPRWNNRPPS-NRFANRHFSA-N 427.549 0.794 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCS(=O)(=O)C1 733957411 YQSQMKLJJOBTHI-CQSZACIVSA-N 427.548 0.979 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 749158142 UQUOEMBKNYPIMF-UHFFFAOYSA-N 435.527 0.860 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1cnc2c(N)ncnc21 750502015 KPXBTUPHLUTDPJ-UHFFFAOYSA-N 440.464 0.917 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(OC(F)F)c1 752280422 GNMSXFOTTDBZPD-HNNXBMFYSA-N 449.501 0.794 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOC(C)C)C1=O 758054770 NQSZHTZRXWUPNU-XAIYEJPOSA-N 442.563 0.695 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2Cl)c1=O 758059700 SPOPGORYJKCTHE-ZDUSSCGKSA-N 445.928 0.859 30 20 ICED Cc1c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cnn1C 759081556 JDEIUQSHNASQIP-QJOMJCCJSA-N 432.506 0.796 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1-c1ccc2c(c1)OCO2 772320060 ZLIXVEWCNRTDLE-UHFFFAOYSA-N 447.476 0.730 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 779622938 JMGOECPNGVKCQE-RUNIHZNKSA-N 432.502 0.737 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)c1 784425812 XRTMAFGIWUFJCA-UHFFFAOYSA-N 425.533 0.303 30 20 ICED C#C[C@H](CCC)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 791036564 UOKCGYILQDXGQP-CQSZACIVSA-N 431.536 0.892 30 20 ICED C#CCN(C(=O)C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1)[C@H]1CCS(=O)(=O)C1 793039733 AYOYTCJJBPVRNH-KRWDZBQOSA-N 430.486 0.527 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1=O 798546497 YXQRWQSQWLFVJX-DOTOQJQBSA-N 447.513 0.869 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)nc2C#N)CC1 808047699 SXVNSVACUMCGNX-UHFFFAOYSA-N 429.433 0.876 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 815861749 YISUMSMGJBBDBW-IBGZPJMESA-N 442.516 0.864 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2CCCS2(=O)=O)c1 915296366 HSLITGUUGTXNMC-UHFFFAOYSA-N 434.499 0.904 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 916193529 FNQABNOIZTXRRF-UHFFFAOYSA-N 448.504 0.664 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOc2ccccc21 916608477 VQGJVSVMIMCWAS-HNNXBMFYSA-N 429.454 0.908 30 20 ICED C=CCNC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 918024406 GPDWTXIJNFMHKU-INIZCTEOSA-N 437.541 0.790 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1302495721 JDSSKEDRLJSJEI-ZWKOTPCHSA-N 446.533 0.750 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1303411534 QPEKDYIFPMDYEU-QGZVFWFLSA-N 440.508 0.425 30 20 ICED N#C[C@@H](C(=O)c1nccn2c(Br)cnc12)C(=O)N1CCS(=O)(=O)CC1 1341803218 RRSRMHDDIYARJD-VIFPVBQESA-N 426.252 0.071 30 20 ICED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)cc2)[nH]1 1449430873 XRPDSEYXZSSYKD-UHFFFAOYSA-N 426.429 0.800 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 1468671671 ZUXMUMTUFBAIBV-AWEZNQCLSA-N 436.519 0.718 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1503361674 XULPDSLHUGYACM-AEFFLSMTSA-N 426.525 0.945 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 1539565899 IVTPOCXGSHGSSF-UHFFFAOYSA-N 427.504 0.963 30 20 ICED CC[C@@H]1CCCCN1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1546645482 RDHNUACFKGAIOA-GVDBMIGSSA-N 439.586 0.882 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1554316473 IWLNJDAEDJMZNP-UHFFFAOYSA-N 426.506 0.884 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1583693492 LIBGEYFIMORJGF-INIZCTEOSA-N 445.549 0.602 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1589395588 XKKUVQFNZJFYBF-GFCCVEGCSA-N 427.303 0.609 30 20 ICED COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1619043198 ZLYZOHDFZWFCIQ-HXUWFJFHSA-N 447.517 0.503 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)n1C 1641326279 ZQIPOZIGQALAJT-UHFFFAOYSA-N 437.378 0.843 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1692664494 ODGSPCNSIPXTDC-HZPDHXFCSA-N 439.586 0.834 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1711417491 MRZDWLGQJDAMJE-HNNXBMFYSA-N 445.549 0.953 30 20 ICED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1711853384 KFVFURGDCPICOD-ZBFHGGJFSA-N 449.537 0.801 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1740745625 ZQHZOJDNJVDXLL-NHYWBVRUSA-N 432.344 0.791 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(C#N)c1 1781176276 ZBXUTYAXOYJEQG-AOMKIAJQSA-N 438.488 0.792 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CC(C(=O)OC)(C2)C3)C1 1781956299 KGRKUXFTWZZSLV-TZNMGYQPSA-N 432.517 0.882 30 20 ICED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783521929 OTUTZYXIFBSOKY-IGLVBYLNSA-N 432.506 0.885 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(OC(F)F)cc1Cl)CCO2 1783558416 ZCOONTDEZNXUCF-SFHVURJKSA-N 443.790 0.868 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1783604379 PMSLCOSDAYHTFF-MUGJNUQGSA-N 445.541 0.658 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783888669 AOJKKCJQJWDBQK-OHNQJVKOSA-N 443.566 0.505 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Cl)n3)[C@H]2C1 1788875150 HBDCMJGNKMMVQB-MYVDIJBLSA-N 433.896 0.582 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789570401 ZNHRPPIETXJWFH-QZHFEQFPSA-N 448.545 0.479 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C)c1ccc(O)cc1 1794574303 VEVHXOPYBQLZDM-UGNRZPKXSA-N 437.500 0.921 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404186 JNHPDFPDMCOKHS-XOIINTDNSA-N 440.416 0.472 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797171410 KOCBLVNLBLACJK-PZTGFMGMSA-N 442.516 0.521 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 1797224624 CSTULLJEZICQMS-BLACHMLSSA-N 425.485 0.438 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799749086 LPIXGLMYEASWJD-ZSBFGKGUSA-N 433.509 0.385 30 20 ICED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882364 LDQIRXHYWBONDS-JLVBRIDZSA-N 438.488 0.410 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@H](O)C1 1801987690 DBVZSBPXNLPLAB-ZHCJQAHYSA-N 449.504 0.331 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)ON=C(C)C)C2 1802844989 PJOZJOUSHXFTDQ-WYTQMRBSSA-N 432.525 0.896 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1803608056 LMWWYEPEQYRYFM-PVAVHDDUSA-N 436.534 0.585 30 20 ICED O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)N1 1806812515 IYFYYEUQROGRPR-ZYHUGZTASA-N 426.521 0.838 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1807026866 UZOQZGGZIAKPGJ-YJBOKZPZSA-N 446.404 0.326 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810354226 NPNVHYPGCWSKFT-ZWCUEREDSA-N 438.488 0.252 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488246 RXBAZEOXTHFTIT-AWEZNQCLSA-N 444.496 0.458 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccn4c(O)nnc34)sc2C1 1816967900 DGAOLGTVTBWPLS-VIFPVBQESA-N 426.414 0.205 30 20 ICED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)C(=O)C(=O)O 1821714869 CIXTYVCQCFTFNN-VRCTWVPOSA-N 447.496 0.417 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)CNC(N)=O)CC4)c2c1 1823895877 HEDFQBKYJYQTDF-SNVBAGLBSA-N 438.473 0.785 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1829773777 UZFHHAYALRWJBG-ZWFYQYKBSA-N 435.521 0.118 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)COC1 1830030732 FEPNKOBIFFUNLU-ZYPDDKLUSA-N 425.482 0.008 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c1 1830968504 KKLXLKMEHKJYHL-QFIPXVFZSA-N 439.447 0.800 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831399632 YPYZMKMKXGZOGV-HTAPYJJXSA-N 441.488 0.146 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1831420513 WBMXSRNNELAURC-HXOBKFHXSA-N 448.516 0.991 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831435120 LSBJXXQPTLKAJI-VGSWGCGISA-N 428.489 0.995 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831484784 DQHDMHITNCEGJK-PXNSSMCTSA-N 438.550 0.900 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1832456708 WIBKEVGYGARSMF-NRFANRHFSA-N 434.562 0.898 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)c(O)n1 1833700067 PWJNMLDLNQNCSF-KSFYIVLOSA-N 446.504 0.110 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833754791 FXBYLEDBJRNFII-PTJKWTKHSA-N 447.488 0.991 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)n1 1833883069 KDFCOLZEVJWLIM-HXUWFJFHSA-N 444.879 0.724 30 20 ICED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1834623668 HHIVTIBGDNHETM-UHFFFAOYSA-N 444.624 0.889 30 20 ICED Cn1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834715288 OJHGWXXUFNFBNH-UHFFFAOYSA-N 443.596 0.816 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835069619 QLCGXXQNZXVOSG-AWEZNQCLSA-N 433.509 0.664 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099522 MDGIKNFCYUGEFL-OAQYLSRUSA-N 426.498 0.968 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1835102380 SNFBJVDFHZQWKR-JOCHJYFZSA-N 425.441 0.289 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835626037 KZJQKDGHOOKEDP-QFIPXVFZSA-N 446.504 0.334 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3cccnc3)CCO2)C1 1835688624 DJTDGXMTAHCPGA-FHJLPGHOSA-N 446.548 0.912 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835688626 DJTDGXMTAHCPGA-LTMIRXACSA-N 446.548 0.912 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836225648 HDFZSJZIBSAVET-DENIHFKCSA-N 429.473 0.572 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn4cncc24)CCO3)c1 1837114324 DUVUJSUDJFHQAT-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1837286519 FYSNSSDKYBIGRU-CXRJOHDQSA-N 436.553 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1837393154 LWOWJLYCWKPNDS-JTSKRJEESA-N 439.553 0.322 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1837400783 PAWVWKGRLSBGQC-AVRDEDQJSA-N 433.505 0.028 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837443759 IUPFJUZCINLAHD-UKKLRFBMSA-N 433.509 0.779 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560073 OLHHHYHMEKYTEX-ZJHLSYPMSA-N 429.477 0.511 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cccn1 1837567689 SVJQZUHDCHRWIW-FHMMEVJKSA-N 429.477 0.613 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658919 FLQNFXHPHFNQMI-GAJHUEQPSA-N 446.548 0.955 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1838906050 NMYOTNHZQCMYTP-HSZRJFAPSA-N 436.468 0.490 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907174 CVRATWJTFQCHBR-KSFYIVLOSA-N 443.504 0.336 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907488 VHBXZLBPORUZHC-KSFYIVLOSA-N 426.473 0.319 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c([N+](=O)[O-])c1 1839232831 FEKXUDZOAUTGHC-NRFANRHFSA-N 446.460 0.906 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1 1839362420 RRBLQTQPVMPHQE-HSZRJFAPSA-N 442.516 0.155 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839429329 GWPVESITFJZOJC-HXUWFJFHSA-N 449.391 0.200 30 20 ICED CCCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043271 OPILDAFGJZGGFX-QFIPXVFZSA-N 430.457 0.633 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840281809 PSQVZJQMOKDMJK-VGSWGCGISA-N 442.553 0.805 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)C1 1840569850 AWCPOPHGISASKM-FNEOHHHZSA-N 433.530 0.505 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648038 SFCZOHPDJVTLGT-MBSDFSHPSA-N 445.516 0.429 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840819574 UFTWDLIJGHQGCC-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(=O)O 1840838327 ZUCGRKDNEQJHCF-YBZIWPIZSA-N 439.465 0.003 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cc3OC)CCO2)C1 1840933386 MBFNAGZHXUTHCK-SBUREZEXSA-N 448.491 0.872 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283131 RTNDLTIMKJJFDR-KRWDZBQOSA-N 439.516 0.497 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)C1 1846247243 OJLWMVLCWIEIPP-HZPDHXFCSA-N 433.505 0.869 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1847068584 DVSBCNFGTATCLW-CQSZACIVSA-N 445.476 0.621 30 20 ICED CC(C)(C)N1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429320562 BYETURNMZBUKAB-MRXNPFEDSA-N 433.534 0.974 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 430397948 XFYOAGSTZFVEQU-FPOVZHCZSA-N 428.533 0.544 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 465273694 RMYYUNWRBRRIND-PKOBYXMFSA-N 441.536 0.099 30 20 ICED C=CCNC(=O)NC(=O)CN1CC(C)CN(CC(=O)NC(=O)NCC=C)c2ccccc21 471271024 ZBHVDCXUQYTYMI-UHFFFAOYSA-N 442.520 0.973 30 20 ICED CS(=O)(=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 477253161 HDIRUHAZOXEFSK-UHFFFAOYSA-N 425.532 0.652 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 477480625 WBQCHOLILWJOHN-MRXNPFEDSA-N 428.536 0.255 30 20 ICED CN(Cc1ncccn1)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 477896951 RDMBQEHWANEWCC-KRWDZBQOSA-N 428.518 0.702 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 481276916 PPLABENUIWPWSS-MAUKXSAKSA-N 435.550 0.284 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CC1 491260720 WDTPTUJLPMZFEX-UHFFFAOYSA-N 427.505 0.371 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O 500019174 NFBVZSXWCSDYJX-HXUWFJFHSA-N 448.589 0.855 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)NC2CC2)CC1 505598529 XCJRKPNKTNFKOT-GOSISDBHSA-N 445.545 0.134 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 506906931 DSOAALOEDGAEBQ-ZIAGYGMSSA-N 432.506 0.412 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCn3cc(Br)cn3)n2)cc1 508260189 QUYOJUPIFZNTHK-UHFFFAOYSA-N 443.265 0.912 30 20 ICED COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508338741 HDJDIBNGXNANIV-UHFFFAOYSA-N 439.201 0.593 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCOc1ccc(C#N)cc1OC 512645481 HUYOWQIYPVBXSE-MRXNPFEDSA-N 437.518 0.878 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 514741341 GGXURESDBCACJS-CQSZACIVSA-N 434.449 0.516 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 518131105 CYMOZXOOWDETAT-UHFFFAOYSA-N 429.458 0.433 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 523476388 JHEWLZCRHVTVFA-UHFFFAOYSA-N 445.497 0.416 30 20 ICED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1nnnc1C(C)(C)C 540848647 RWWMHIUGYHGAHC-AWEZNQCLSA-N 431.522 0.936 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1CC(N)=O 542218482 PGRYCENMDADKAE-UHFFFAOYSA-N 435.509 0.281 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3ccc(O)cc3)CC2)cc1 542821387 ZDUBKPYSRBGDEQ-UHFFFAOYSA-N 442.497 0.456 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NCC(=O)NCc2cccc(C#N)c2)C1=O 543658531 QQNXXLZYCDGCAF-UHFFFAOYSA-N 434.456 0.779 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 550742742 MGNSEKOVPRQWKE-HNAYVOBHSA-N 442.516 0.767 30 20 ICED CN(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 553435425 ZKDVRQFTOCZBCM-UHFFFAOYSA-N 435.531 0.714 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1 557791758 SMDIYNNOICQARP-UHFFFAOYSA-N 439.500 0.851 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3c(CC)cccc23)CC1 561619369 VORBQLBBFOLBAY-UHFFFAOYSA-N 425.533 0.835 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)S(C)(=O)=O 568373741 DCOHIYHLEMQRDZ-GOSISDBHSA-N 435.550 0.011 30 20 ICED COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 588036423 KFOMBIGVISCOFI-MOPGFXCFSA-N 448.479 0.904 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 603996893 KUHAENKXDDQVDO-UHFFFAOYSA-N 439.493 0.378 30 20 ICED COc1ccnc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 609187073 AIOSTVUCZKRYHW-UHFFFAOYSA-N 429.502 0.931 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)c1 609514981 ANFPZKCGTHJXNJ-LJQANCHMSA-N 426.521 0.315 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1Cl 609533372 XLQOUEHLGJSIIF-CQSZACIVSA-N 428.898 0.755 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 613103221 OCIIANGYFBMWFE-OAHLLOKOSA-N 440.460 0.955 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(Cl)c3)CC2)CC1 619769055 WKJWIMVAURUWAK-UHFFFAOYSA-N 440.957 0.531 30 20 ICED C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 732447138 ALFDHLJTPAANQZ-XAGMJWQQSA-N 435.506 0.824 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 732910497 QOHWATSXFJGKJZ-HOTGVXAUSA-N 425.894 0.873 30 20 ICED CNC(=O)C1(C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)CCC1 733685595 OABVNMDTMFEFFV-UHFFFAOYSA-N 426.429 0.826 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)C[C@H](C)O1 742274206 GXUSBTHIHHXBJA-KBPBESRZSA-N 446.526 0.358 30 20 ICED Cn1cc(/C=C2/CC[C@H](C3CC3)/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 749006536 YRCQNMMFUJOZOJ-BTJLKFJKSA-N 438.484 0.338 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 749561980 QWSIYRWYKYSMSJ-ZVEIASASSA-N 438.440 0.937 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 761032832 OEFICUBKNYIUMX-UHFFFAOYSA-N 435.550 0.192 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[S@@](C)=O 766644798 OYJMWXOGMISHPR-JJMFFDHPSA-N 442.563 0.711 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CCOC 771916906 ZIFOUIAEWRWGNM-UHFFFAOYSA-N 441.962 0.927 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@H]1CCCO1 773796140 KNCZDLGIGSKRAM-UKRRQHHQSA-N 428.894 0.999 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774542175 MEICTUAMCZWMRX-UHFFFAOYSA-N 432.505 0.257 30 20 ICED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 779549704 NIROVGIOVBBOCH-RTUXEJRESA-N 449.533 0.550 30 20 ICED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785187174 WXSNQWYACOYLIC-RELWKKBWSA-N 435.550 0.991 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 785604296 XUOXACNKNIIBRK-UHFFFAOYSA-N 432.366 0.859 30 20 ICED C#CCN(C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 785751416 NXJZMWMKOGZBIC-UHFFFAOYSA-N 439.559 0.790 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794644063 ADVNXECSRDHXSI-UHFFFAOYSA-N 447.520 0.303 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770030 DOXODDJPYMHEFE-UHFFFAOYSA-N 425.510 0.617 30 20 ICED N#C[C@@H](C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N1CCCC1 919665454 YFWGZNIDFUIGEA-ZBFHGGJFSA-N 431.470 0.955 30 20 ICED CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCOC1 1314081731 KJLBPVCDZVOICP-HXUWFJFHSA-N 448.549 0.987 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1314683745 VBFAACSGXZDATF-KRWDZBQOSA-N 444.517 0.299 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CCOC 1319873310 KVNFTKSPSVQOJX-UHFFFAOYSA-N 440.447 0.999 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1321048699 MRFOIVZGTYDCME-HOTGVXAUSA-N 436.513 0.525 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1503407925 KDGHNSOKWZLNCR-YOEHRIQHSA-N 444.583 0.202 30 20 ICED C[C@@](O)(C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(Br)c1 1633550787 YXOAFDLKRGCQMM-INIZCTEOSA-N 425.214 0.746 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ncccn2n1 1638232231 XZXBBSJPLXEOBL-CQSZACIVSA-N 427.490 0.894 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1696032076 WZTBLISOQRJHHM-BEFAXECRSA-N 441.554 0.466 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1707956480 WSZHDBFWQDROBK-AWEZNQCLSA-N 432.506 0.440 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019508 PWNVVMRRRQNWQK-FFRRBZOQSA-N 429.525 0.579 30 20 ICED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1NC(C)=O 1780214552 ICTVCOCNITVULC-OAQYLSRUSA-N 429.429 0.185 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)[C@@H]1SC(=N)NC1=O 1780333902 AUCILLIRIGSIGH-KLRAXDNASA-N 430.490 0.132 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1787627147 SPTLMFAJUJGMKQ-DWRORGKVSA-N 435.525 0.924 30 20 ICED 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)C1 1788178022 BOOMDIJQDVSEMR-QZWWFDLISA-N 449.504 0.311 30 20 ICED C=C[C@@H](O)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 1788576593 VWTILYIDNQESTF-UFJVTBDRSA-N 426.510 0.155 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658760 OCIFUIKYZMPTJH-FKOFFESCSA-N 443.566 0.654 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955444 KDBSBQFTNAMEKR-DWRORGKVSA-N 435.525 0.924 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1cnnn1 1791690059 GPCAFAWFLLBGOS-XJOINEQPSA-N 449.475 0.276 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(N3CCOCC3)cn2)CCC1 1794442156 SHQRLMLCFUPGJF-XEMDLRDOSA-N 439.516 0.815 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(C)=O)C3)c(O)n1 1794490374 GGWOZPZJLRMIQU-CWPLJXCYSA-N 430.505 0.635 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506699 JVRXCPYHVAZSMD-FAQVEIGNSA-N 439.516 0.025 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796418556 NXSIIFYSANKCFI-YGTYGHESSA-N 434.493 0.474 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797742619 ZHGLYNFQQMMBQA-DGHIZORRSA-N 430.549 0.746 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nn[nH]c1C(F)(F)F 1798711173 KHMKUNULFJOQST-ZPDXMYDXSA-N 443.430 0.498 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc([N+](=O)[O-])[nH]1 1798747226 JNXLONMZRQFEIB-CCWDJLKJSA-N 430.461 0.825 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680701 QUBFHQKPHIDHKQ-LORHWOILSA-N 441.525 0.402 30 20 ICED O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1802104688 FWWUHHJMRLPDCD-CWPLJXCYSA-N 443.550 0.488 30 20 ICED 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]1CNC(=O)O1)C2 1804370828 SQXUFPJIFMMUJC-JKJDWNRSSA-N 434.493 0.650 30 20 ICED CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1804832737 UGQWVYMRXSHTMY-KKSFZXQISA-N 435.440 0.843 30 20 ICED C[C@H](C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)n1cnnn1 1807151788 OVINJDKTCZNPFO-KBAYOESNSA-N 439.524 0.617 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1811585788 RHHPBHBHCZMNPT-BDGDHSELSA-N 439.472 0.740 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812882669 OIAAFZGVMMRMCL-ACJLOTCBSA-N 446.510 0.036 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477454 AKHFMPRQOZVSQO-ZRLCCKPJSA-N 429.481 0.707 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780522 COHYSGSZWSIPJB-KZKLBEMASA-N 441.579 0.962 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)[nH]n2)c1 1820309400 ZUTMLRBXQWJVIP-LPHOPBHVSA-N 427.465 0.566 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825253765 BCMNXUPKSGOEAP-XHDPSFHLSA-N 430.477 0.917 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1829266680 DOPAHCHLXZWNEI-SELNLUPBSA-N 425.485 0.843 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C)COC2)CCO3)c(C#N)c1 1830034195 LDOASIKYPKTVFH-QHCPKHFHSA-N 443.500 0.602 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1830056576 GDLQPGFOTLSUCI-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(O)n1 1830576782 JMMZJWFHMNYZSN-OGRDWSCISA-N 445.516 0.747 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1831387348 PFHGGGJHXADELW-IIBYNOLFSA-N 435.908 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1831401833 HDAPJUCUZJBKEI-IUODEOHRSA-N 427.712 0.851 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1831998978 VWTODIBGEILCBU-HRAATJIYSA-N 439.509 0.501 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833643145 NHYZAUDZQDSVCF-VGSWGCGISA-N 430.505 0.256 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834397768 MICNHNONAHIGET-KTBYTZPXSA-N 444.513 0.991 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604563 FHJRFTOFXVSOSZ-IBGZPJMESA-N 436.509 0.357 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1834760985 OJWGRGCPRGMYSQ-JOCHJYFZSA-N 426.473 0.403 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)cc1 1835411673 KURVXSAJZVJEQU-QHCPKHFHSA-N 440.500 0.445 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1835754701 PLIDFWYTMFVNPK-ACJLOTCBSA-N 443.566 0.371 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837529185 PYQVFYRZUWHKEF-BROWTRMISA-N 433.465 0.076 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639419 HAHOXNNMCNDZAQ-NQIIRXRSSA-N 435.525 0.353 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837670923 WMJKMEVWRKXOPQ-SYNHAJSKSA-N 429.583 0.702 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838071662 UBUQLCMGQQGFQR-NRFANRHFSA-N 425.445 0.679 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)cc2NC1=O 1838588044 LKGPLYLDLVVKDR-NYHFZMIOSA-N 442.472 0.780 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5c4CCCC5)C3)C2)c1 1838735969 CTMYNEMWMFDKLM-JOCHJYFZSA-N 438.488 0.872 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039937 KHFPWDUFMHTHLC-FYYLOGMGSA-N 445.491 0.873 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839222466 OETGZXWIKVRZJJ-SIKLNZKXSA-N 438.569 0.976 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839224835 PXHYAKVGGKZSDF-QVKFZJNVSA-N 444.492 0.829 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)C(F)(F)F 1839893211 OQIJEWPHZNCRTA-INIZCTEOSA-N 432.355 0.076 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1840715806 NGGVDBMWWRBJCJ-VGOFRKELSA-N 438.488 0.675 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1841471371 TYVSALSPMWQOSY-SFHVURJKSA-N 442.472 0.939 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196426 XVNISWVXJOSXJP-INIZCTEOSA-N 431.489 0.975 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1848074205 QLDDONCFPSRNNK-ROUUACIJSA-N 434.493 0.243 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1=O 10850321 BQNJLPNVNAAZEG-UHFFFAOYSA-N 445.501 0.715 30 20 ICED COc1ccc([C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)cc1OC 409542742 IPEIUHCIQBHARY-IRXDYDNUSA-N 440.522 0.136 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)n2)cc1 434589883 YMNCLWWBILCSRY-CABCVRRESA-N 436.394 1.298 30 20 ICED Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 438836185 MZQAVDRWXROWQQ-KRWDZBQOSA-N 432.484 0.791 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441937619 ANGFCLYHCHRBFN-MSOLQXFVSA-N 439.537 0.745 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCSC 443552602 WCZLEFKFLNIGAU-UHFFFAOYSA-N 448.526 0.447 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 443554330 ULZGYEQPKHVANH-UHFFFAOYSA-N 432.596 0.746 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1F 447273435 WAIUPYTYLQWYKG-UHFFFAOYSA-N 431.489 0.829 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 465421268 FWYOAKKYGMJWRK-HNNXBMFYSA-N 431.460 0.664 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cccc(C#N)c3=O)CC2)c1 467210838 FNBWHDPICWUYEP-UHFFFAOYSA-N 446.485 0.270 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccccc2C#N)CC1 475461962 SEUAZKQLJAAVRV-NRFANRHFSA-N 425.489 0.822 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 478753751 MBSQKLDSLPIJEA-DOTOQJQBSA-N 442.541 0.975 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 489051033 ZDZBXCZZFQHEBQ-OAHLLOKOSA-N 446.488 0.502 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490278803 YQNLPWYZJYVURT-IAGOWNOFSA-N 438.575 0.836 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 491087050 VNJOANNZMXTBHN-UHFFFAOYSA-N 429.521 0.518 30 20 ICED CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516109821 VAOCJTDJKRLTBV-MSOLQXFVSA-N 425.489 0.293 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 516131459 JWCRQNVSPJNTNJ-MRXNPFEDSA-N 426.454 0.969 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3C)CC2)c1C#N 530362307 UUMLKUSXDQFJRM-UHFFFAOYSA-N 434.464 0.172 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 532488961 ZUKMNQKMZJSGAS-UHFFFAOYSA-N 445.505 0.231 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 533236979 UTXLCPQSECPIKA-QGZVFWFLSA-N 448.526 0.939 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2C)c1=O 539769753 MYBNWZCSWSYPCZ-UHFFFAOYSA-N 445.516 0.756 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)n1 540281707 XNEYTXDJIQQGDV-UHFFFAOYSA-N 425.497 0.177 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 567653052 FYSRCRBYRUGVNO-UHFFFAOYSA-N 442.497 0.877 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)N1CCOCC1 569036949 BGSKYFIZUDRUTI-UHFFFAOYSA-N 426.525 0.933 30 20 ICED CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 576187551 WOIRVMBAVJAIRS-IBGZPJMESA-N 439.516 0.492 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CCO2)n1 581459370 NDIDIMODLJJDAT-OAHLLOKOSA-N 435.448 0.213 30 20 ICED CS(=O)(=O)NC1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCCC1 603449598 MFTLGMSVCOYCEV-UHFFFAOYSA-N 442.563 0.860 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 608912184 PKPIVBRPWLQZAF-UHFFFAOYSA-N 444.605 0.650 30 20 ICED N#CC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCOCC1 609666521 KDECGCXQGKRCEE-UHFFFAOYSA-N 448.501 0.958 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(=O)N(C)C 618639207 ZBUFBRFVYHSLAO-UHFFFAOYSA-N 438.962 0.742 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c1=O 642895138 BWRDCAPSLUJJMR-UHFFFAOYSA-N 431.489 0.874 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730722057 DAFAECPDFPUOTN-MRJUWWRZSA-N 427.490 0.489 30 20 ICED COc1cccc(C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n2nnnc2C)c1 732154138 OUDIYKQDZOMERC-MXLIYFDZSA-N 425.449 0.417 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c3ccccc3)c2=O)cn1 732561550 PEZCSTJQEHBPDB-OAHLLOKOSA-N 437.525 0.770 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 733149329 FVYMUCOSSPRBER-UHFFFAOYSA-N 433.490 0.070 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 744143870 HJZBFXHLFIDSRG-UHFFFAOYSA-N 449.510 0.847 30 20 ICED CN(C)C(=O)COC1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 761628934 IGBBINWPISBPOL-FXBPSFAMSA-N 437.522 0.820 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 765145972 QWDMOGHJCSPKGH-UHFFFAOYSA-N 438.513 0.422 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3cccs3)c2=O)cn1 772281121 MNJSQPGODVSIMI-UHFFFAOYSA-N 441.538 0.582 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)cc1 777511138 DLCNAJWIFDFUAF-UHFFFAOYSA-N 441.575 0.778 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 783013656 LWRDIUXIXSIYIA-UHFFFAOYSA-N 429.564 0.920 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 783014191 SSIJBZMLLLITMM-UHFFFAOYSA-N 431.536 0.312 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 783348174 YHRFJHCJUPSUSG-UHFFFAOYSA-N 429.520 0.190 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 785047361 XBNHEHVZZTYEDB-JWGURIENSA-N 433.494 0.236 30 20 ICED COC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 797371452 IAYKWHWYHSAVMG-GBPUDXIESA-N 440.522 0.342 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 804114363 VLLGWXZKSVUPHV-RBUKOAKNSA-N 433.530 0.774 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1CCS(=O)(=O)C1 807002635 OAZODVJBSVOFOW-CYBMUJFWSA-N 441.456 0.389 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 808173953 GJUDYRIMBCZWRL-SJLPKXTDSA-N 441.488 0.907 30 20 ICED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 913731357 FNTFBNGQJRAIJE-GXTWGEPZSA-N 439.490 0.361 30 20 ICED CN(Cc1cnn(C)c1)C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918819298 OHZJZILWSXOIFG-UHFFFAOYSA-N 433.490 0.441 30 20 ICED N#CCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1116189382 LWYQAJDQXWJGJV-UHFFFAOYSA-N 434.499 0.674 30 20 ICED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)cn1 1117671397 ASIGZLOEGJJBSJ-KRWDZBQOSA-N 430.486 0.811 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1302455896 JRGQNMHEXMKMGE-INIZCTEOSA-N 429.506 0.465 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)NC(C)C 1306195939 KPCPWLLXZHDNSN-UHFFFAOYSA-N 432.554 0.762 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nc3n(c2=O)CCCCC3)c1 1318090206 CCVBGQRQRJQMLR-UHFFFAOYSA-N 437.500 0.645 30 20 ICED CN1CCCN(CCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1328355685 KAONVIATRBUVNI-LJQANCHMSA-N 426.521 0.907 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccsc2C#N)CC1 1453390406 QLSHOVDNFGRQDD-CYBMUJFWSA-N 436.563 0.986 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(=O)nc1O 1470360997 NLRBDYVGXXDRLR-MRXNPFEDSA-N 439.472 0.644 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1505315835 SYNSWVUDXYUSSY-WMLDXEAASA-N 445.542 0.447 30 20 ICED COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1619662681 SYBWEKGRHDJMNH-WMLDXEAASA-N 434.522 0.812 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCOCC2)CCO1 1620356634 DTSVMULFKGXFAT-SFHVURJKSA-N 440.504 0.910 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1690329612 YPTFMTSRUXJZQR-NEPJUHHUSA-N 427.980 0.900 30 20 ICED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1698063433 YTZUBQFJXXFRMC-UHFFFAOYSA-N 427.509 0.822 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 1726406803 VLMHWCLXWMLCOS-CQSZACIVSA-N 430.538 0.788 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCN(C)C1 1741921148 OVFAZUBMWRGOBL-KSSFIOAISA-N 425.559 0.085 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCN(C)C(C)(C)C3)CC2)c1C#N 1751827662 JCFRNJZEPQBJFL-UHFFFAOYSA-N 440.600 0.853 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1751982988 PIMOPDXCHFHCIO-HNNXBMFYSA-N 435.492 0.658 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770732535 ZJDJAXDXQQQFSW-GOSISDBHSA-N 434.497 0.646 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c(C)n2n1 1777785392 WBBQEQHEMNYKEV-NRFANRHFSA-N 434.460 0.698 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779645661 IXJMFDBWFGGNOZ-QKKBWIMNSA-N 447.492 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1781265128 JUPBGCNYIBAQIS-FQEVSTJZSA-N 432.433 0.128 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1781964487 YCNKTDFBCMYFQL-FQEVSTJZSA-N 427.440 0.474 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056846 JCUHLAIKOVBERP-DENIHFKCSA-N 428.489 0.461 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581167 LIWJVJMDEXTLCS-NRFANRHFSA-N 425.493 0.683 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1784199689 QDKOASWVLPWDJI-FQEVSTJZSA-N 434.518 0.475 30 20 ICED COc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1784432406 BWYQGROGBYBWLO-JBDAPHQKSA-N 426.469 0.866 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785328175 LXHYDGMIDUWLCF-MRHSLFKSSA-N 440.500 0.386 30 20 ICED CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n(C)n1 1786859035 DAWTYORAXVYWEG-IEZWGBDMSA-N 430.553 0.858 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860189 NTGQSEKNZGVCMJ-XWSJACJDSA-N 430.553 0.781 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295363 KEFVZGDDEVPSMH-BPUTZDHNSA-N 433.461 0.596 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787510622 IYJHNASCSUXPPW-NASQOASYSA-N 429.502 0.909 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)[C@H]2C1 1790021774 MRSHPHCOECYFBT-UEABVUSTSA-N 431.445 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790387385 XYDNNWWTWVQWAN-RVKHQLRBSA-N 427.505 0.281 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526782 CHFMFRBYIVALKM-OHFALNGGSA-N 429.452 0.500 30 20 ICED O=C(CCn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791647949 JOJDIXMJTSKNHA-FHWLQOOXSA-N 429.521 0.347 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1793349798 JYARGDKBVYCHLN-CVYSASLGSA-N 427.501 0.433 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793860641 KRRZVMWGMYFBKW-CCWDJLKJSA-N 438.484 0.812 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)cco2)c(C#N)c1 1795000696 BKIXCMQXHOQXSH-FAQVEIGNSA-N 437.452 0.966 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n3ccnc3n1)C2 1797709785 CGWKZUIKJSLIAH-CYGHRXIMSA-N 427.505 0.814 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C1CCC2(CC1)OCCO2 1800381008 UZKPUZXCRJQFHK-GZZBUKFJSA-N 448.564 0.981 30 20 ICED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801029309 SPKZJZNHPOJTGB-UWGQQRPDSA-N 429.539 0.219 30 20 ICED O=C(COc1cccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801347486 QTBQTGVGBKLSIP-JXFQULDKSA-N 442.497 0.946 30 20 ICED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)C1 1804193609 YGAHQRVVJAPXFH-NQIIRXRSSA-N 446.573 0.784 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1806946487 ZONZUOAHKCCHSH-AZUAARDMSA-N 426.517 0.874 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1808596499 JRKLIQSWDJFSNI-FOIQADDNSA-N 436.424 0.671 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819361017 NTMQJXIFHPRFOW-RDBSUJKOSA-N 432.481 0.573 30 20 ICED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825115580 GEQPDBHKTLZXDH-KBPBESRZSA-N 440.591 0.998 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)CCC1 1828008886 ARTTZMULOHWOGV-SNVBAGLBSA-N 427.423 0.474 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632505 VQSNBTNWVLNCDM-NZQKXSOJSA-N 428.533 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1829770563 YGTHNKHTZWJNIF-RMUOZIPVSA-N 432.452 0.149 30 20 ICED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1830004552 AKRIUUYHBNOBNP-DIVQNALZSA-N 449.596 0.646 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831608110 DBFSPRXGVUHURI-SPLOXXLWSA-N 448.907 0.793 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1=O 1831888229 SDVNETJFPWOUGH-YVABFXQFSA-N 442.472 0.167 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832684341 REKHHLIUAYRSDJ-VFNWGFHPSA-N 436.509 0.033 30 20 ICED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1833020466 HKSZHJILAJYZAJ-FQEVSTJZSA-N 444.517 0.749 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3[nH]nnc3C)CC2)CC1 1834931885 XSZULASVSRRNAR-PLNGDYQASA-N 429.525 0.157 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835055769 BJMSZBNMORBFEI-GXDFBKAQSA-N 449.600 0.477 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100197 GFVLUWNXXRZAAI-AUSIDOKSSA-N 437.500 0.422 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835398597 NIKSVKFEBGVFBU-JOCHJYFZSA-N 446.479 0.100 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835516221 BMIWHCDZBOSSJU-HXUWFJFHSA-N 447.517 0.020 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1835681308 ROBFSQDHDZYDFT-ZDUIWUOISA-N 442.520 0.228 30 20 ICED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1835896592 NKUSUMUJPPVCIJ-UGKGYDQZSA-N 431.537 0.979 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837394444 AXEASOSCQYSTMW-AUUYWEPGSA-N 427.885 0.971 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837402021 BXYUNWIALVHKOU-JXALWOEJSA-N 446.544 0.620 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559762 GWLMZCRZCJNXRP-IQTGRTGDSA-N 434.493 0.070 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837562370 JZUKIULTOMLPGT-KQBANSRISA-N 431.449 0.089 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c1 1838584808 HMTLKSPGMSYZTN-OYHNWAKOSA-N 444.488 0.161 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1838737367 QYIOCGIFKTYDFW-QFIPXVFZSA-N 438.440 0.999 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839647592 NYQDSODNFWUULO-PHZJZFOFSA-N 432.477 0.195 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)C1 1839717971 UMYYVMAZXGWOBP-OAQYLSRUSA-N 446.460 0.179 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840277711 LGDLEHIYIXFUHJ-QHCPKHFHSA-N 441.484 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840483317 DCRNYBBSQSOZQG-QFIPXVFZSA-N 447.488 0.174 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1840845287 SJOILXWIPZXHFF-HSZRJFAPSA-N 444.484 0.722 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840900812 TZLQQMYQYRILKE-KOSHJBKYSA-N 439.512 0.675 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845486779 BKAZHURXMSRLLJ-LJQANCHMSA-N 438.463 0.985 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847511722 NWWNDOWUHDVSLY-BZSNNMDCSA-N 449.548 0.772 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 109052290 GUSWZFMOBYLFBY-HNNXBMFYSA-N 447.469 0.777 30 20 ICED COc1cc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)ccc1C#N 427145527 ARXQUTTYUKRLOB-HNNXBMFYSA-N 428.470 0.884 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 428529259 TYRVFHKINMRREN-CQSZACIVSA-N 437.485 0.921 30 20 ICED N#C[C@H]1CN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C[C@]12C(=O)Nc1ccccc12 429225803 HRCICKASODLASV-YTEVENLXSA-N 445.439 1.254 30 20 ICED COc1cc2c(c(OC)c1OC)CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)CC2 431509806 DYHYXGPYUHJDCF-UHFFFAOYSA-N 427.461 1.388 30 20 ICED N#Cc1cccc(C2(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 435582191 BOJAMGYNTOPMQM-SFHVURJKSA-N 430.530 0.037 30 20 ICED COC(=O)COc1cccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 437443706 WFYIOKBAYJHVLE-UHFFFAOYSA-N 434.412 1.327 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1=O 440257177 DQWUYKJMPXCVSE-CQSZACIVSA-N 438.506 0.129 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 443744903 MJPHXCSGKYXFBI-UHFFFAOYSA-N 447.439 0.783 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 443794618 YUSSNPJUOTYBHY-UHFFFAOYSA-N 443.481 0.477 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 476983201 SSSOMVSXVGOXGT-UHFFFAOYSA-N 442.545 0.979 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cnn(CC(N)=O)c3)nnc12 481472358 MATTYEOGNKICTN-UHFFFAOYSA-N 438.473 0.643 30 20 ICED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 484585859 QRAJLFWNXLYYOE-UHFFFAOYSA-N 441.550 0.671 30 20 ICED CN(CC(C)(C)C#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 497292151 GRJYBAGPEPKAJT-AWEZNQCLSA-N 438.506 0.378 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1C 522996684 JRCYVNVXIAGKAD-UHFFFAOYSA-N 432.550 0.859 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 531080562 SZACVYAWUAMJKD-UHFFFAOYSA-N 430.486 0.734 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CC(N)=O 532271055 LPYSTXSVSKDLAW-UHFFFAOYSA-N 447.520 0.486 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 533250340 ZPIBQPPAEALXCL-NVXWUHKLSA-N 432.525 0.366 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 540364533 BNLNZOFWLKKJRO-XHSDSOJGSA-N 439.534 0.724 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cccc21 542606555 NXDDRCYFQMWCQM-UHFFFAOYSA-N 448.483 0.776 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCOC1 543868820 BHBVVPHKXDSFDD-LBPRGKRZSA-N 446.510 0.721 30 20 ICED CC(=O)NC[C@H]1CCn2ncc(C(=O)[C@@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)c2C1 552048177 JPQBLXVZZINLIT-GOEBONIOSA-N 445.487 1.004 30 20 ICED COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC(=O)NCC#N 553766010 FPKPGFMKQHPILB-UHFFFAOYSA-N 428.470 0.816 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)n1 556531222 YESYTSMBSLJSTG-KBXCAEBGSA-N 426.864 1.509 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c1 557414790 NDVIXQYCERPCDJ-KRWDZBQOSA-N 448.483 0.532 30 20 ICED Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cc(CN4CCOCC4)cc(C#N)c3=O)n21 567553006 JGRXENDOEIAWLN-UHFFFAOYSA-N 445.483 0.804 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 569821263 IAMMSEXNLGJXIP-UHFFFAOYSA-N 448.483 0.403 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c(F)c1 575360436 UPAWQAGKCRVOSP-QGZVFWFLSA-N 437.479 0.921 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 575457051 CTWHCPZTKBGZIL-LJQANCHMSA-N 440.610 0.996 30 20 ICED COCCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 576570413 DPHUTUWJVJVBNK-QGZVFWFLSA-N 428.468 0.942 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc(-c3ccccc3)nn2)cc1 578474179 APZYOMYZWLIUNC-UHFFFAOYSA-N 436.497 1.522 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 684535194 KFRXIQAAPWUWOL-SNVBAGLBSA-N 437.930 0.609 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 728532609 DQEUMBDIJGHCOR-UHFFFAOYSA-N 434.449 0.136 30 20 ICED CN(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)c1ccc(Cl)cc1 731888297 UDNYTOURDXYFHT-WUKNDPDISA-N 426.882 0.603 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)c(F)c3)c2=O)cn1 732565115 XFSSBLDIURROMT-UHFFFAOYSA-N 427.461 0.512 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(C)C)c1=O 732665185 ZPLATDPPMSTYOO-UHFFFAOYSA-N 445.614 0.995 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 733364568 LWQVDKICVNAQCD-LICLKQGHSA-N 432.546 0.251 30 20 ICED CCCOC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737293712 AAFIOUROYLNDDA-CJLVFECKSA-N 438.506 0.897 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 745339438 XARUXVRCBRUSSV-PTRHGPIFSA-N 447.491 0.667 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c21 750687903 QPFSTULKIKVIFS-LLVKDONJSA-N 438.400 0.414 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@@H]1CCS(=O)(=O)C1 783479846 GIXQYQNJXAAAOH-MRXNPFEDSA-N 427.486 0.937 30 20 ICED COCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)cc2S1(=O)=O 787656817 JCGWXGIGISXISJ-LBPRGKRZSA-N 435.458 0.585 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 788628041 WBDXXUZMDADJJS-UHFFFAOYSA-N 447.966 0.942 30 20 ICED C#C[C@H](CCC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 791200340 SPYSFLXZVAINIP-GOSISDBHSA-N 437.500 0.973 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C)[C@H]1CCS(=O)(=O)C1 799261274 VUPIXTANLPXBTB-AWEZNQCLSA-N 436.486 0.848 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)c2F)c1=O 799940631 ZTNCSOIPGVAEQY-UHFFFAOYSA-N 443.525 0.769 30 20 ICED C=CC[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccncc1 804148884 QIQQHIOCCBNEGR-GOSISDBHSA-N 437.504 0.460 30 20 ICED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808040563 IJSMEKKOCDFXPC-AEFFLSMTSA-N 442.520 0.975 30 20 ICED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 809125215 JABZQYREZCLZEN-JTQLQIEISA-N 448.270 0.760 30 20 ICED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 810775493 IJFLOANWVIYBEC-KRWDZBQOSA-N 426.516 0.902 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)NC[C@H]2C1 849052805 OPAFAEWQZKOQCS-JYJNAYRXSA-N 429.587 0.975 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 849120127 UKQARBURGMHVFN-LJQANCHMSA-N 438.506 0.863 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914668360 QPJBSMAWXFLOQG-UHFFFAOYSA-N 442.453 0.474 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2cccn2)c1 918256279 XCTIXAHBPZZTKQ-HAVVHWLPSA-N 432.506 0.841 30 20 ICED COCC(COC)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1171121106 UTHTYFIMJRJOHB-QFIPXVFZSA-N 447.555 0.814 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 1317813599 NCRUUMHLAJFWBY-YNEHKIRRSA-N 425.488 0.207 30 20 ICED C[C@@H](O)c1cn(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)nn1 1320296410 GFIKPCLSIPGGTQ-CQSZACIVSA-N 444.517 0.687 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1475491585 MANFYJNKVSXRAV-QAPCUYQASA-N 440.570 0.805 30 20 ICED N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)c1 1505319835 MEWJBFDHAYFXNE-OAHLLOKOSA-N 446.462 0.757 30 20 ICED COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1519103321 SZXCYIIGVWXKBQ-IBGZPJMESA-N 435.506 0.361 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1547900670 KMDWUCCZVXDMEQ-OALUTQOASA-N 440.570 0.952 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1 1596172638 VSGPONZERJILMK-HNNXBMFYSA-N 445.549 0.765 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1596250213 QHOSAJRFVFZNOP-UHFFFAOYSA-N 432.506 0.442 30 20 ICED Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cnn1C 1611876216 NDSMQEAGHMOHEJ-CXAGYDPISA-N 447.569 0.155 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1612212621 MYMRASCRGUDKPO-JKSUJKDBSA-N 431.522 0.659 30 20 ICED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1631510028 WIKUMYMJVDLIFH-CQSZACIVSA-N 428.468 0.979 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)C1 1698484320 PTTHCIIGHYCXCF-KXBFYZLASA-N 440.545 0.469 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706748827 ZJTNJMLOKXNHPQ-RRFJBIMHSA-N 444.583 0.343 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CCO1 1731187185 ZFBOKMYQJVBUCQ-CQSZACIVSA-N 426.437 0.496 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(C)(C)O)CC2)c1C#N 1751828234 VAJUZXDBIQTWPM-MRXNPFEDSA-N 441.540 0.630 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCSCC1 1761480198 ZQIQZROKXPXKLS-CQSZACIVSA-N 427.600 0.677 30 20 ICED Cn1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1767488033 QXKGNTUVSLMCRA-INIZCTEOSA-N 427.490 0.859 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1767576454 RMDVHGCTBLHWMT-HNNXBMFYSA-N 425.493 0.494 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779103298 RSUVIDXHOFYVTN-NGPKUFNOSA-N 442.476 0.702 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1779122632 GXZSAOFWMVXXGW-JOCHJYFZSA-N 437.456 0.728 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781383014 FTKNVEQUWAQQIA-OAQYLSRUSA-N 428.526 0.479 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781397355 XRTMYOJYFQHKFS-IERDGZPVSA-N 428.493 0.903 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781536257 PHTRMUVGAWJPHS-QEVIJRNUSA-N 444.444 0.602 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280307 SOKSKLPSDHWJJK-YGOAVPTMSA-N 447.492 0.638 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1783164625 OXJJUTAMQGLTJC-OXQOHEQNSA-N 434.518 0.379 30 20 ICED 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 1783995332 PEBOLZNEBDZENH-YTFOTSKYSA-N 431.555 0.170 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1784476521 LJUGYAKPRZRZCI-BTYIYWSLSA-N 426.452 0.922 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1784505904 ZCDAQBOUIBTKFU-MKFRZFLASA-N 447.536 0.028 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1784531874 QHLKWCGXBZJQTB-LZXPERKUSA-N 442.607 0.723 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C[C@@H]21)C(=O)O 1786900049 SHQZPBZKZNUOFM-UPWFSPPHSA-N 442.516 0.970 30 20 ICED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1788595501 FYPLUCNSBJLFEZ-HVTWWXFQSA-N 435.641 0.740 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1788600923 KWSAOPPSOWGIQU-YMZMDHBOSA-N 439.520 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788732395 WXJHSLNUCZAWHS-XWSJACJDSA-N 444.532 0.305 30 20 ICED 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 1789758649 CUESJBGESUZDAO-UGUYLWEFSA-N 437.493 0.310 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1789953628 GRPJDCFXHCHIMG-DWRORGKVSA-N 447.536 0.915 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(Cl)c1OC 1792686229 YONNFXPDCVHRGS-KSPBDQMDSA-N 436.848 0.648 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1793345295 RCLRANFSABMVFF-JNNRSPCRSA-N 443.456 0.771 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1793357176 IRSMBILNRCJOME-UGNRZPKXSA-N 444.532 0.713 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)o1 1795791468 NVEIRQZTFUUNDO-VPTLXERWSA-N 427.436 0.764 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810896 ATWHKRAOMMVEML-NFBNLJIBSA-N 445.520 0.070 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1 1799313493 OTBKPHGVGYOCAC-YOWGUQMCSA-N 425.401 0.018 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c(O)n1 1801064514 IRZYWRXYHMHYJP-IHSNIMORSA-N 442.516 0.635 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)c(OC)c1 1801709702 RWXDCZNAWQFYJH-IBRLJDPESA-N 431.464 0.896 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1802042401 URTTUUZPGZPULZ-NOYSFJLSSA-N 437.537 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CSC(=N)N)[C@H]1c1cccnc1 1807000115 STMWDPKRTXKMLE-YLRDJVGTSA-N 430.534 0.572 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1807048591 RMYYDWTZXBTWID-DYXWJJEUSA-N 434.500 0.866 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1807145623 OQJPFPDATBQKSF-AOIWGVFYSA-N 426.521 0.648 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1807145992 SYWZCKBWENHLPQ-RXVVDRJESA-N 440.548 0.992 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1809666525 WQSNBAXNPMTGEX-XUZZJYLKSA-N 437.544 0.665 30 20 ICED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)O 1810390996 ZHKQHVDCYVUFGK-UOJJJTRJSA-N 441.488 0.862 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558246 BNRLHLBZVJQSHL-XLNTUCKNSA-N 432.521 0.830 30 20 ICED COc1ccnc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1OC 1812877042 AVTYZLQUGYNLDE-YWZLYKJASA-N 438.440 0.901 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822685233 XMSAQVMTJMGSFX-ARFHVFGLSA-N 433.578 0.729 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1828663235 VVFZRPZLUJBERW-HSZRJFAPSA-N 449.467 0.881 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628332 PMPANOXAZPNJJE-QFIPXVFZSA-N 428.489 0.083 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630182 XPMYUNXSBFWXOU-QHCPKHFHSA-N 445.516 0.610 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)C1 1829669004 NGTPPVBGZBDRHU-QFIPXVFZSA-N 430.505 0.961 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1831393598 YRCNYTRXPUIDFT-HCLVMJGWSA-N 428.485 0.485 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831397195 PMZORLNAFUFWEQ-VBKZILBWSA-N 445.501 0.195 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831399281 VDEIKDRMOYAWOP-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1831413715 FZYAJDBMPNYEFU-SIKLNZKXSA-N 434.537 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1csc(C)n1)CCO2 1832962319 AEFFMSVUCXVZOB-OLEQZPESSA-N 448.545 0.309 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1833476882 MNARXCIJEBAJDR-INIZCTEOSA-N 439.626 0.633 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530919 PEAICZGMLORSEB-FAEOQQOKSA-N 439.494 0.137 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCC(=O)NC4)CC3)CC2)c1 1836167984 WPVRZHCHYAQRIM-INIZCTEOSA-N 426.521 0.598 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836823062 NHEHKWLNFILYFJ-INIZCTEOSA-N 439.578 0.726 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837140140 QTRHZYYPQHWZJD-HSZRJFAPSA-N 439.468 0.695 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1837311475 GARJTNMGTUGYOP-ZPMCFJSWSA-N 438.521 0.827 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C/N=C/c2ccco2)CCO3)cn1 1837563353 XBDUPFXDQGLJGS-HPARJBSBSA-N 443.504 0.521 30 20 ICED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837812605 JOVYOFBUUZCKAL-OMNSNBSWSA-N 438.525 0.602 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)c1Cl 1838597935 GFSPNDIRTZJPTD-HXUWFJFHSA-N 437.880 0.291 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839223513 XZZFQCGVDUTQSE-KKSFZXQISA-N 434.493 0.256 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839224832 PXHYAKVGGKZSDF-BTYIYWSLSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839224887 RCEMBWWPOSOSPH-SUMWQHHRSA-N 435.424 0.354 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1839451972 ZZWNBWYUKVNIMR-QHCPKHFHSA-N 442.516 0.269 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839466931 CAMILDOJZPUPAB-BFUOFWGJSA-N 439.490 0.997 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1839810631 JWAAZEQGEKBPMK-VGOFRKELSA-N 429.473 0.391 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840140057 NZUXXIQPWAZXIP-YCRNBWNJSA-N 430.501 0.612 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381279 SLKCXGCZDCRDDV-KDOFPFPSSA-N 440.526 0.154 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840903905 MMFFPAMJVPXHBT-DEOSSOPVSA-N 439.512 0.595 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1841599854 PMBICDCLTMTHBW-SJORKVTESA-N 435.521 0.864 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)CC1 1843837927 WIBBOMPBNVWUIK-CIAFOILYSA-N 436.534 0.574 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)O2)C1 1847288979 VXTPCYBATWELSW-HRCADAONSA-N 447.488 0.445 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cn1C 109999985 ZUEZYWICCYTRGK-UHFFFAOYSA-N 433.490 0.887 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)s1 435477428 OQQSNRSMILFMGC-UHFFFAOYSA-N 426.501 0.541 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446512545 MYOLSJAUIOPTFJ-UONOGXRCSA-N 425.532 0.885 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447683992 VYUIHTZMGDMVFH-AWEZNQCLSA-N 441.513 0.707 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cn1 460582429 MSIPWMPPPURSIG-UHFFFAOYSA-N 429.396 0.490 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccc(O)cc2)CC1 460588998 WVTONLAXJAROOU-UHFFFAOYSA-N 431.456 1.440 30 20 ICED COCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471046810 FCVGRPXIZXWDCT-UHFFFAOYSA-N 427.505 0.999 30 20 ICED COCCn1c(N)c(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)c(O)nc1=O 471153403 FVDJWQFPMZTXMI-MRXNPFEDSA-N 426.477 0.243 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477267889 UOLUOLJRKGGRLD-UHFFFAOYSA-N 434.449 0.633 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 479666755 YPVWPWSZIBCYQL-HOTGVXAUSA-N 426.516 0.527 30 20 ICED C[C@H](CC#N)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 479703102 VITYQOHXNCZNOU-OAHLLOKOSA-N 437.522 0.968 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480108781 LLVGIOOUPBCWJZ-HZPDHXFCSA-N 435.550 0.284 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1[N+](=O)[O-] 484600615 QWTSVXPVSPJPOD-UHFFFAOYSA-N 446.510 0.442 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC)c1=O 501775694 NBYVMAZFUSUUGB-UHFFFAOYSA-N 441.509 0.653 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C 504042732 HGCKEYWHPXIYQJ-OAHLLOKOSA-N 441.467 0.672 30 20 ICED N#CC1(F)CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 506582158 UEHFVCFVGPDKJM-QGZVFWFLSA-N 430.436 0.494 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 512110505 SLNCLEJHBQFMML-CHWSQXEVSA-N 431.449 0.857 30 20 ICED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 512976452 WLWHFSFWDKOLKA-UHFFFAOYSA-N 434.500 0.663 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CC(N)=O 530721936 YMWZTPYTOMUGGG-GFCCVEGCSA-N 443.525 0.839 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 540714372 XQUHIOVCQYEBLQ-UHFFFAOYSA-N 442.432 0.969 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)cs1 550384296 KJAADCHWBWCLMK-UHFFFAOYSA-N 425.517 0.856 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 553712317 OOQMUFNLKIXQNJ-KRWDZBQOSA-N 443.508 0.527 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 584138077 RQGOEONBCHIOFR-KGLIPLIRSA-N 448.501 0.002 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 588292281 WVRMRHRKLRHLSI-AWEZNQCLSA-N 443.551 0.071 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(=O)N(C)C 589653561 YZINSAAAVVSXDE-UHFFFAOYSA-N 446.504 0.175 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)CC1 603860428 JNZAHFPGACGUIE-GOSISDBHSA-N 442.545 0.994 30 20 ICED N#C[C@H]1CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 609269044 FBXCCAVIOCQAKD-AWEZNQCLSA-N 434.474 0.520 30 20 ICED CC(C)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609386464 UNDVVUNJXLJIAI-LJQANCHMSA-N 433.578 0.854 30 20 ICED CC(C)(C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 611688534 CJRBXOJNJOFJTB-UHFFFAOYSA-N 436.534 0.824 30 20 ICED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 616129799 ATVKERGPVYPAGJ-KDOFPFPSSA-N 430.486 0.911 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 729888940 KPKNVNCWZRIJFI-ZDUSSCGKSA-N 428.898 0.607 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)NCc1ccccc1 732465623 IRAWZURJPSGZSB-MRCUWXFGSA-N 440.504 0.156 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 743765932 PGFRIEVXYFFJLZ-QFIPXVFZSA-N 427.526 0.965 30 20 ICED C[C@H](CC(=O)OCCN1C(=O)c2ccncc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 744219707 JTKRIXZKXBYFIU-GFCCVEGCSA-N 442.453 0.738 30 20 ICED O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 747223369 LCUFVJZWRJJYPK-QZQOTICOSA-N 441.488 0.583 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C(=O)NC)n(C)c2)c1 750566816 QGECYBWYCGPFHP-UHFFFAOYSA-N 444.513 0.420 30 20 ICED COCCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 751555026 VTGXNLQBXPLRLQ-UHFFFAOYSA-N 445.541 0.609 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1=O 764937827 FVPVRNDNEMYVFU-JOCHJYFZSA-N 447.536 0.834 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)CC1 766119391 ILKLQMLYIZFFPG-OAQYLSRUSA-N 432.952 0.949 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CCC1 771081209 VCAKIVVCVGDKAH-RCMYXZNBSA-N 444.513 0.930 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CCCO1 773801916 YHTMZVJWYIVBPJ-NQIIRXRSSA-N 442.516 0.595 30 20 ICED O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCCN/C(O)=C1\N=CC=CC1=O 774419551 NTQMBDQKHIJIMH-FOCLMDBBSA-N 446.407 0.626 30 20 ICED C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775329773 NKSAKTDPUPMZRY-VQTJNVASSA-N 447.557 0.905 30 20 ICED C[C@@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 786608783 IISBCQZGBFNELW-AWEZNQCLSA-N 443.547 0.782 30 20 ICED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 792454108 ZSTJIRVMZMKTEG-OAHLLOKOSA-N 436.534 0.488 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 793414009 PPIOJLOQAYCIMB-HSZRJFAPSA-N 426.517 0.929 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1=O 793707381 NIWCIROQVQTBAF-DLBZAZTESA-N 447.536 0.833 30 20 ICED CC(=O)N[C@@](C)(C(=O)NCCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 797620410 HRBXJSWRUMMKBL-HXUWFJFHSA-N 429.502 0.936 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CCN1C1CC1 806896715 KKAKBNPBOSKNBV-LZLYRXPVSA-N 437.500 0.221 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C 812275389 HVIGHDPABSGURK-UHFFFAOYSA-N 425.461 0.164 30 20 ICED C#CCN(C)c1cnc(-c2noc(CCC(=O)N3CCN(c4ncccn4)CC3)n2)cn1 813342657 HDQAACDQQRGRIY-UHFFFAOYSA-N 433.476 0.667 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(O)n2)CC1 814475357 NYIZHZVBOSKWFD-UHFFFAOYSA-N 430.442 0.349 30 20 ICED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916895915 WOJATHNDDXAYAN-QGZVFWFLSA-N 432.502 0.578 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1301677156 CJVIUDXIGZJBMM-IEBWSBKVSA-N 442.568 0.851 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314120504 KKDLFFWZEFLEMF-RTWAWAEBSA-N 432.525 0.919 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1316337231 QWXFALIQGROTPL-DNVCBOLYSA-N 449.558 0.945 30 20 ICED C=C[C@@H](COC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1320439290 KPDHDNRWROOYRV-AWEZNQCLSA-N 432.543 0.464 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@@H]1CCOC1 1327046339 KZIGQZWDDSLMFO-AWEZNQCLSA-N 443.500 0.899 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1504888251 MNMNQSGMRLBRAS-MRXNPFEDSA-N 441.554 0.826 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618180433 HYHOWWVGZCMTFI-KXBFYZLASA-N 448.570 0.992 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)n1C 1652134065 LETJOTQBHKTJRI-UHFFFAOYSA-N 445.501 0.540 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1687426432 IVIOTUVSVVBXKZ-VQTJNVASSA-N 428.537 0.913 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1744097858 XEJCJQBOIYGPTR-GOSISDBHSA-N 446.600 0.951 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1746736404 UOUAWIHSIVRIQS-WAOWUJCRSA-N 434.541 0.506 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1752319569 QXNCUSXRBBZDAB-YWZLYKJASA-N 446.533 0.750 30 20 ICED CN1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1(C)C 1767527587 PYZABBIRHNDICH-SFHVURJKSA-N 449.625 0.946 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1777917231 MNRHICTUGQWKOM-WNWNSBFKSA-N 438.528 0.981 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160730 QCTACAZDMCLABC-ILBGQUFFSA-N 438.481 0.188 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778182055 HVSNQIFIRITDFT-VXKWHMMOSA-N 449.504 0.551 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779554840 VIXCUAOOIPQBSO-PDOICOKGSA-N 429.583 0.606 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780583645 MSIINYCVVXDATB-XCGNWRKASA-N 449.504 0.598 30 20 ICED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782395360 SGQWAXVBTFZDAI-CDNBVUDRSA-N 440.497 0.385 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)Cn5ccncc5=O)C4)C3)c2c1 1782663970 GJLSGYPWMILGLG-QFIPXVFZSA-N 447.455 0.135 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1783046178 KCWNMYINDNFRAD-IERDGZPVSA-N 433.505 0.618 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565148 PNRVQRAYDXUEQW-FCHUYYIVSA-N 449.504 0.551 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1783889269 HISLNVDCHANDDM-KUHUBIRLSA-N 426.560 0.781 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785025366 ZMOXCFWJFJOWAI-MUGJNUQGSA-N 425.485 0.111 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375540 CUNNDVCAMUTSGH-FQEVSTJZSA-N 435.502 0.202 30 20 ICED CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)CC1 1786857483 ORRQPATWZRSUQE-UFYCRDLUSA-N 433.597 0.980 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788512223 BVWVCHCCPMAILF-FSVRAMNHSA-N 448.564 0.835 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660466 QSHIPMXFXMVXBU-MAXOSKQPSA-N 436.509 0.116 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)cc1 1789570774 UBKOGQWGYTVNRN-BQFCYCMXSA-N 447.455 0.196 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789891113 DJXAGVDVDILBTM-LTADTEAASA-N 434.537 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3nc1C)C2 1792489051 BJALSQQQTZIHKR-FEAZXBHQSA-N 449.511 1.000 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CS(C)(=O)=O)c1 1793371930 HFPIQMYYOODRNY-FZDIXFNVSA-N 433.530 0.751 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793506428 AVRUFXRWMRMOMY-YALNPMBYSA-N 431.493 0.530 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)nc(O)c3)c2c1 1796140315 JNZWNBPAXVDHAZ-HBCWATKFSA-N 448.439 0.758 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796327827 NOWSOWAUYJXGTI-IIZPIQPGSA-N 441.528 0.800 30 20 ICED 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]1C[C@@H](O)C1 1797152755 DNQMKOUOOVQUHE-GZHIDJEZSA-N 449.548 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797442637 NZBGPIAEYMHGBT-CWPLJXCYSA-N 430.505 0.932 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1800203748 LYBSXLZLXYOARS-RMYQPGKMSA-N 447.495 0.975 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cncn2)c(O)n1 1801355347 CJPWCYBPSLWIRE-GGXPGOJBSA-N 440.504 0.962 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1803549438 XZDBUOCDBYEDFO-SIXWZSSISA-N 437.456 0.928 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2nnc3ccccc32)[C@H]1c1cccnc1 1804020510 QQDAFPOLEGTBIN-KSFYIVLOSA-N 432.440 0.620 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1808325708 IMKVUUFLXWLZRJ-MIZPHKNDSA-N 432.480 0.890 30 20 ICED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812587853 SHFXWEFVIGIMAX-JCKWVBRZSA-N 436.476 0.739 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)C 1812873564 MGAAKNSYMPDPFF-PWIZWCRZSA-N 428.489 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)[nH]n1 1814433724 DGMATCKCVAGNQW-PLDWVVQRSA-N 428.493 0.786 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067005 QUOUPYFNLQDTEN-VXGBXAGGSA-N 437.522 0.157 30 20 ICED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)C(=O)C(=O)O 1820310172 RQWYUYGPLOQNON-AWEZNQCLSA-N 427.421 0.458 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1822930971 YDZAXMAYKBMZRD-GFCCVEGCSA-N 446.485 0.490 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829900463 DTOKDSZRKRPRSL-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829908001 UWFYQGCMCIOLIV-VGSWGCGISA-N 438.488 0.410 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458582 UDWCSCGMBWJEEQ-QHCPKHFHSA-N 437.500 0.995 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830755855 CUEXGVOFUMPFFO-XMSQKQJNSA-N 435.569 0.209 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831174101 DQTZZMBCFLPKOF-SBUREZEXSA-N 442.516 0.472 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C(C)C)N1Cc3ccccc3C1=O)CCO2 1831345586 AWZJSZAQNAMDLC-URXFXBBRSA-N 439.512 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1831399204 REPSHAWGUYCZAK-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1831421959 XJRVLELEOQMELY-HRAATJIYSA-N 434.493 0.536 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832456126 JUHRXFFOXQDGAC-NTUGGBQKSA-N 441.550 0.891 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccoc1)CCO2 1832641659 KHGVZUFLJYKRIM-MYVSSHFQSA-N 429.473 0.608 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1 1833076083 SOBBGQCRMHFWSV-PLNGDYQASA-N 442.516 0.683 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833463394 JGMSYDJPHFIHNG-OAHLLOKOSA-N 443.504 0.398 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833463404 JTWMFDOTSVIUJU-QGZVFWFLSA-N 443.548 0.610 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834399555 WXNMTCVRCAPDGI-JOCHJYFZSA-N 441.463 0.744 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797177 DOZMBDPQBKLEEW-OAHLLOKOSA-N 441.536 0.815 30 20 ICED O=C(Cc1cnc[nH]1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835061237 INZKZVXLPRRRRR-PCLIKHOPSA-N 429.569 0.996 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097290 SUWUMTQGPYQQGP-URXFXBBRSA-N 425.529 0.979 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835132382 WVDKPLMARCGRIS-QHCPKHFHSA-N 449.596 0.601 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134479 HKGAEKKACPEJKK-AUSIDOKSSA-N 437.581 0.892 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835680981 QSAAIXWEGWUWFF-FQEVSTJZSA-N 448.480 0.275 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998317 UJSWYMBIRMIFRF-HSZRJFAPSA-N 436.468 0.490 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CCN4C)CCO2)C1 1836570093 PEQJWVZTEYQZSC-UUOWRZLLSA-N 441.528 0.787 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)O1 1836605597 GRHRZVZQRXVZSQ-DNVFCKCGSA-N 434.533 0.709 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873125 WLXVAOSWBNRWPT-IIBYNOLFSA-N 444.492 0.600 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1837392916 IRKXHVBGDCNYAU-MORSLUCNSA-N 438.443 0.329 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837531454 NAGWERMBQSUTKK-XXVAPRDTSA-N 435.481 0.317 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837874542 LSFJACLJMJUDKL-QRIYWZMZSA-N 433.465 0.076 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1839174261 PRWMTRSRSFHGQU-QFIPXVFZSA-N 447.488 0.670 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839225156 ZEEUALUIMFDBBU-BTYIYWSLSA-N 444.492 0.829 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518280 QYIQYSBXZNWSPH-HTAPYJJXSA-N 448.520 0.309 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839733387 GMRYAEHWIZEZJG-MONBJTKQSA-N 427.501 0.518 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1839784551 PPKSWKGDIRXEIG-RHSMWYFYSA-N 436.477 0.231 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1)C(F)(F)F 1839893484 WGYHDCVEOSERPP-GOSISDBHSA-N 446.426 0.718 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839956350 NGBXAWRQTWORDG-RFWXGWTQSA-N 432.517 0.638 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4s3)C2)C1 1840042709 KGIUITFADRHAEX-FQEVSTJZSA-N 429.454 0.454 30 20 ICED Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)n1 1840043989 GVWUFRBRTFTXKJ-QFIPXVFZSA-N 429.473 0.175 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840386311 UBHQVRNUDMAVPY-AVRDEDQJSA-N 432.521 0.466 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)C(=O)O 1840838778 CBDCQJPPGCUACH-IWRDUPADSA-N 431.420 0.798 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840844361 RDEANBHWWHYYOH-HTAPYJJXSA-N 428.489 0.070 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 410117889 JTGAAQQVZJYHGX-ZWKOTPCHSA-N 425.489 0.782 30 20 ICED C[C@H](c1nc(-c2cccs2)no1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410121865 KVVFWOUAUZMDSO-ZIAGYGMSSA-N 438.535 0.946 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 435601235 KUMKFYQBLGAAGQ-MAUKXSAKSA-N 430.548 0.967 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 439976792 LJZWAYZQCKPWIB-GOSISDBHSA-N 445.483 1.202 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCN(C4CCCCC4)C3=O)n2)cc1 443650182 HRVHMDQYLMNWAU-IBGZPJMESA-N 449.515 1.576 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccn2)c1=O 443661232 AOOFPZFZULJXJU-OAHLLOKOSA-N 430.555 0.466 30 20 ICED COCCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 481854592 ROHBWFNSTOHZIU-GOEBONIOSA-N 443.547 0.277 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cc1 490268619 GQVJOXUZVIZSKE-INIZCTEOSA-N 447.407 0.980 30 20 ICED COCCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc(C#N)c2)c1=O 502487224 LETADEWRGCIFBW-UHFFFAOYSA-N 425.510 0.523 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)nn1CCC#N 504130979 OACDBTNMGGYATF-UHFFFAOYSA-N 438.897 0.792 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)nn1CCC#N 505063906 UUOVXRREZFBREM-UHFFFAOYSA-N 444.926 0.853 30 20 ICED N#C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1Cc1ccccc1 510098965 IYLUMDSJXKIQET-FGZHOGPDSA-N 439.560 0.936 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 512468109 ICUMMMJHORTBRM-IBGZPJMESA-N 441.532 0.865 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 517619857 ILUVRFFETXDEOF-UHFFFAOYSA-N 427.505 0.351 30 20 ICED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 527279921 YTBPYQWCZILUHC-AWEZNQCLSA-N 432.523 0.349 30 20 ICED C[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@H]1C1CC1 544176580 XGBOOFKWSDRNBB-LEWJYISDSA-N 432.546 0.938 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(OCC(=O)NC4CC4)c3)no2)C1=O 545686157 XMTAYIMWLAHFGJ-UHFFFAOYSA-N 425.401 0.871 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 547962549 LXAICDVNGSANQL-JTQLQIEISA-N 435.864 0.296 30 20 ICED COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1C(=O)N(C)C 548369919 CTXNNILEJBSEPJ-UHFFFAOYSA-N 434.478 0.629 30 20 ICED CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 548915401 XXMRDSOQYAAJTF-CVEARBPZSA-N 436.534 0.568 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@@H]2CCOC2)cc1 555493482 KTSFDGHREAAATI-KRWDZBQOSA-N 449.515 0.780 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 576554567 MNHZFVRGIGEPHB-UHFFFAOYSA-N 441.560 0.742 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 587688096 DGUPEQKABWZQHO-INIZCTEOSA-N 436.534 0.634 30 20 ICED CC(C)N1CCN(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 589465917 YTXFQPJHSJEZFL-UHFFFAOYSA-N 433.578 0.854 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2)c1N 608924898 VEEIXSPCFYNXIY-UHFFFAOYSA-N 443.467 0.828 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(F)c1 609157889 BGVZZIMWFAYRSF-UHFFFAOYSA-N 434.515 0.434 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 609402145 LADWGBQKYJQQMN-UHFFFAOYSA-N 425.536 0.581 30 20 ICED N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 609465396 KWOUNOFRSVOEDD-UHFFFAOYSA-N 442.519 0.347 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 617063798 FJIXAQRBFKJESR-UYAOXDASSA-N 425.551 0.865 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(=O)N(C)C 619464116 JTCAAEPXEHJKPX-UHFFFAOYSA-N 448.495 0.963 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(O)nc2)CC1 726869210 RLSUFVFPOUVGPZ-UHFFFAOYSA-N 443.485 0.200 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 729257481 HBURQIFRXNMPRG-UHFFFAOYSA-N 434.562 0.256 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861891 ROAFGFYBNLCEMI-VHEBQXMUSA-N 434.474 0.200 30 20 ICED CS(=O)(=O)CCNN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 733205683 HMFZEGNUDONPRZ-UHFFFAOYSA-N 428.268 0.717 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCCN1C(=O)CNC1=O 733424208 SOCCYWBGSQZHEA-OAQYLSRUSA-N 426.429 0.637 30 20 ICED C#Cc1cccc(NC(=O)CN(C)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)c1 742267913 XECPHYZFHHQTDI-GOSISDBHSA-N 440.481 0.518 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 747820196 NIOZMWYQQMODLM-JOCHJYFZSA-N 425.489 0.336 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 747855184 WCZWAPWDXOSGJQ-UHFFFAOYSA-N 430.505 0.833 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1OCC(=O)N1CCOCC1 748950419 IQFJHUDDVYBFHB-FMQUCBEESA-N 443.460 0.572 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 751902564 JMTLDHXQCQYCNS-UHFFFAOYSA-N 449.309 0.579 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)c1 752120668 ONTLUFREXXNPKJ-KQWNVCNZSA-N 447.473 0.446 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)C1=O 755866602 LPTZIEFUWDQOBU-NRFANRHFSA-N 438.492 0.616 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Cl)ccc2OC)c1=O 758074548 AKGFWFRRUDSLOG-UHFFFAOYSA-N 445.928 0.861 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 761026327 YUCUIUDTTQZHNL-CQSZACIVSA-N 437.522 0.066 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)C[C@@H](C)O1 766613136 SVSQDSHPITZFJH-HZPDHXFCSA-N 435.550 0.138 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1cc[nH]n1 772302065 HMVSQHBSVHJKIL-UHFFFAOYSA-N 431.424 0.704 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)cn1 772312842 JKWBLBXOCXAEFO-UHFFFAOYSA-N 425.445 0.137 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCC[C@@H]1CO 782874456 ZQVOLJQGCOIXMO-GOSISDBHSA-N 442.541 0.998 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)c(C(N)=O)c1C 784556937 LGRUVWMHEMQBRS-UHFFFAOYSA-N 437.460 0.382 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)n1 789788270 GJWMJCQARZVDCD-UHFFFAOYSA-N 425.424 0.850 30 20 ICED COC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 790910916 VBRFJUXQTHMRMR-MRXNPFEDSA-N 436.534 0.457 30 20 ICED CC[C@@H](C)[C@@H](OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796004518 WPJRFXZJGMFQBH-DNVCBOLYSA-N 437.518 0.995 30 20 ICED CCn1nncc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 815527039 OZDCQFAKFFXSQT-UHFFFAOYSA-N 425.405 0.923 30 20 ICED COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 821727372 CCHPWWFUEHURKP-UHFFFAOYSA-N 433.442 0.883 30 20 ICED CCN1CCN(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C(=O)C1=O 919148415 ZODVDMQOBVQFNG-HNNXBMFYSA-N 430.461 0.564 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1303411533 QPEKDYIFPMDYEU-KRWDZBQOSA-N 440.508 0.425 30 20 ICED CO[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1315271057 LGJSGPNEGLGUPF-JXFKEZNVSA-N 447.517 0.883 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1318992940 XRJDXKKFCPNSAD-DQRAZIAOSA-N 431.537 0.696 30 20 ICED Cc1ncncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1337726768 SSPHEFFKHTYOJL-UHFFFAOYSA-N 429.458 0.347 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1360681376 QHLAMMCSWRUNID-PXAZEXFGSA-N 439.521 0.725 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(CCC#N)CC2)CC1 1454907421 MIZFBURHBZTGSX-UHFFFAOYSA-N 448.545 0.932 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1509682898 FDZJQTVQYSDDDT-QGZVFWFLSA-N 428.541 0.652 30 20 ICED Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1543085673 VVZZMIUGFVTESJ-HZPDHXFCSA-N 436.542 0.521 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1554505219 RWECOMWKYXLOCN-MGPUTAFESA-N 446.533 0.750 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(=O)n1C 1559448665 KJVGUPXJZQAVAH-UHFFFAOYSA-N 433.871 0.864 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccccc1S(C)(=O)=O 1634162450 OQQWPFYVJUJWQN-AWEZNQCLSA-N 435.527 0.987 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1692541826 WLVUMUDQOFMLSB-FUHWJXTLSA-N 430.557 0.314 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CCCC1 1692763326 NKCCAVUKTYUZGZ-KBPBESRZSA-N 446.599 0.984 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1=O 1712493687 QNWNHAMAXAEDOI-KRWDZBQOSA-N 441.536 0.974 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)CCOC1 1728796472 WDXXYPFCODDENW-ZWKOTPCHSA-N 442.517 0.408 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1761263098 NMTNBQHFEXOAFA-UHFFFAOYSA-N 448.535 0.640 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778352300 PILWEMUMLAAQNG-QHCPKHFHSA-N 434.581 0.973 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C1)CCC2 1779021211 KBIGONCGFUXYES-DHNIJCFSSA-N 428.537 0.824 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102267 GBMCRBLUVDLREP-SQGOAVPBSA-N 446.508 0.636 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779178119 ZVHLBZSPCVYFLO-UVFQYZLESA-N 435.550 0.379 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C)nc3OC)C2)C1 1779738975 SHHUJYFORYYNNO-KOIKXXGWSA-N 428.489 0.701 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(C#N)c1 1781173261 AXGKEKBXAKJPIF-PGRDOPGGSA-N 426.473 0.218 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)cc1C#N 1781253038 PYGBSZYIICZBLD-KSFYIVLOSA-N 428.489 0.923 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1781861148 NXHXJFLXVJYJGP-VGOFRKELSA-N 444.488 0.845 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782676669 MCYYZNQQSYMLHG-JOCHJYFZSA-N 437.456 0.885 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]21 1783530915 URFBGIPVGGBWIE-RZXAPVBSSA-N 443.529 0.848 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1783888042 FAZNKBDDJKDQPX-QRQCRPRQSA-N 445.541 0.750 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1785443653 ORHGVQWUAIQZJT-WMZHIEFXSA-N 433.549 0.820 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1786859644 BFMCVLAFXPXSLY-SZMVWBNQSA-N 444.536 0.376 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860663 OPJZDYNVMGIADG-OKYOBFRVSA-N 435.569 0.553 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787492489 FXAYKMNWZNLBMR-WCBJTDJXSA-N 442.607 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032990 DWUWHCBLANGKNL-IEZWGBDMSA-N 441.488 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cn[nH]c4cn3)[C@H]2C1 1788465875 YLHFWFICHBDJTB-SSWRFWRKSA-N 438.488 0.410 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788573996 YRLYREPGXOTOLV-ZDEQEGDKSA-N 445.442 0.990 30 20 ICED COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788657644 GGLITICESWWSRX-MWTFKRHLSA-N 447.492 0.608 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c(C#N)c1 1789843529 SRSILECGMWUJMA-UHMOLFJZSA-N 440.500 0.225 30 20 ICED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791311268 YHQPEHWXHANSMV-ULQDDVLXSA-N 437.418 0.696 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791451748 DENDQXBPYKSAJV-GOSISDBHSA-N 437.456 0.679 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1791773756 VXEQFYGIBVXCKZ-ZVZYQTTQSA-N 437.493 0.725 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793383546 AWMNPMVGVPRIER-YVSFHVDLSA-N 447.623 0.202 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793386170 DPMDGQNWTSRBGE-RMHZUWNSSA-N 438.506 0.301 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C)c1ccc(O)cc1 1794230930 GDCRUGRCOSOHMS-QSNWEANLSA-N 437.500 0.921 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)n1 1794280439 NHALEYHSUSULJV-HIRMHNASSA-N 430.505 0.816 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795599130 VZTQUMLFLNCYBA-OPVJXMOQSA-N 430.549 0.556 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796287831 BUYLBTGULSAKNU-OCVGTWLNSA-N 429.477 0.211 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796747215 GUZSUTQWNQHTHN-GUIRCDHDSA-N 441.326 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1797706499 BXUIBQKQVSDSSA-KPEUIFRASA-N 447.561 0.804 30 20 ICED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1C 1797810708 VOKICMJJOWUKLF-AVCCOKLDSA-N 433.509 0.390 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1799304850 BATGVEHUXANNND-CCWDJLKJSA-N 445.472 0.565 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800132105 APWCARAJTHWGAS-XOIINTDNSA-N 443.483 0.353 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(C#N)c1 1800134130 UQAXIGUTGGYLOC-QOIOWGMHSA-N 432.452 0.943 30 20 ICED 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@H]2OCC[C@H]21 1800768396 JVZLKMIGYVIAHU-NNRKOQHJSA-N 448.520 0.514 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801657873 YBOPBEFUQCKZAU-HATOLVCRSA-N 448.479 0.939 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CCC1 1801984779 JZLAOVQQHLVYRN-XOIINTDNSA-N 429.433 0.040 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@H](NC)C(=O)O)[C@@H]1c1cccnc1 1807195928 FKQOPPUTXNOFDK-IWQNSTTLSA-N 443.504 0.009 30 20 ICED O=C(COCCO)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1808612599 GUFJTLGOEOHVOM-AQTXEWOLSA-N 434.493 0.625 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)c1 1811540885 NYCKWACQUIYHEF-KXBFYZLASA-N 444.455 0.804 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCS(C)(=O)=O)CC2 1822930115 CDWNICVYDPKOAI-LBPRGKRZSA-N 443.547 0.999 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469532 AYDWUNJZRSQWNG-QFIPXVFZSA-N 447.919 0.674 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831424995 QBOGLCHMHGEJQI-YCRPNKLZSA-N 445.476 0.096 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1831425849 FTXUAOCDDKEYJV-HMFYCAOWSA-N 433.505 0.457 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1831488603 XXTMWAUDMKZOGT-LMNJBCLMSA-N 436.578 0.882 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831492179 KEPYVFVHOMXDPL-FXAWDEMLSA-N 428.551 0.907 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)C(F)(F)F 1832161168 BDVUAYVLXXIVQD-MOPGFXCFSA-N 441.406 0.942 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1)C(F)(F)F 1832182853 JHGHDSLOLNFIOW-STQMWFEESA-N 440.312 0.657 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832873232 NQTWMSMKJDZHCZ-VGOFRKELSA-N 448.520 0.182 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1833466857 UNFMTZXBQFMRPY-INIZCTEOSA-N 437.610 0.080 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1C(=O)O 1833609193 IFGSHAVDECPMLK-ORAYPTAESA-N 440.522 0.551 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833994803 CACMZMKWFONRCF-REWVYZQPSA-N 446.504 0.989 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccn2C)CCO3)c1 1834397534 RSANVKKUSQRECU-QFIPXVFZSA-N 439.472 0.684 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1nc[nH]n1 1834951923 NZBLIMDBHAXQPY-ZMPUUUETSA-N 433.513 0.519 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835144851 KZHXJSFDMXHXCN-NRFANRHFSA-N 449.529 0.611 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835351908 FATRZGHKKLHIQY-DENIHFKCSA-N 426.473 0.940 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc1 1835398712 QCPFUVKENVXXMJ-QHCPKHFHSA-N 442.516 0.155 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444956 FKBHFLYZPHEWAN-OFNKIYASSA-N 435.565 0.934 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c[nH]c3ccccc13)CCO2 1836109399 PDLIERVKHCIDHG-QHCPKHFHSA-N 439.468 0.645 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234018 IQPFVCZGWZWTOX-YCRPNKLZSA-N 437.468 0.890 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837134420 IVWRVQXTHKQYHD-QFIPXVFZSA-N 440.456 0.441 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837199728 PJRQXCPGTMPSFI-QVKFZJNVSA-N 444.492 0.829 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837202446 UJXLSJCWIHUHLK-UWJYYQICSA-N 439.509 0.276 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1837395239 URXZQWJESYRNRW-YCRPNKLZSA-N 434.493 0.128 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486588 KGGUDGJBHIYFFC-GREBRCKQSA-N 436.549 0.548 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529276 QSCQSMNYTHYIBG-VJIOCRDPSA-N 446.504 0.989 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839498580 FEZHNMXEDDZJLH-XXBNENTESA-N 442.516 0.977 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnc5nc4O)CCO3)C2)CC1 1839512516 BHXAAFWFLBLQPC-QFIPXVFZSA-N 437.456 0.709 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)C2)C1 1839807197 OZZYEBMNVZRUJV-NTKDMRAZSA-N 439.512 0.746 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839887880 LNVDLPXTDJPADL-GOSISDBHSA-N 426.420 0.767 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840246289 AQJHKORTRZENNH-ZOCIIQOWSA-N 432.876 0.877 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840292976 YPBYIUDSTQNYIG-JOCHJYFZSA-N 430.505 0.650 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2ccccc2C#N)n([C@H]2CCS(=O)(=O)C2)n1 9802789 HAINFEZEMFRUPL-HNNXBMFYSA-N 432.458 0.984 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 61973429 YWBFJSVCJNCYCA-UHFFFAOYSA-N 434.474 0.457 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409551631 TWYGVNXBZICBGS-GDBMZVCRSA-N 430.552 0.837 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 427496257 VHSIQJQAEDSAPC-LBPRGKRZSA-N 435.366 0.604 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1=O 440270891 RJHSPMZDJSYQEQ-GOSISDBHSA-N 448.483 0.728 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)nn1 441787014 KSOIZMRNCMLZRV-UHFFFAOYSA-N 435.400 0.765 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)s1 441937270 QWDQRXHDMRJAIZ-HNNXBMFYSA-N 445.566 0.678 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)cc1 441955836 SGSUPZKMJJKPAB-MRXNPFEDSA-N 427.526 0.983 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 442086329 XHUOCCVNGAFBLN-CQSZACIVSA-N 425.449 0.173 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 446774999 IRXONNPSWBVACW-UHFFFAOYSA-N 447.455 1.290 30 20 ICED N#Cc1ccnc(N2CCN(CC(O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 447133992 SLVNFJJYQIOSFE-UHFFFAOYSA-N 432.532 0.525 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO2)C1 460895455 KZBNGHCNLVESQO-SJORKVTESA-N 438.554 0.920 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)n1 471397503 JQPDSBNFPSWEOQ-HXUWFJFHSA-N 440.548 0.481 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)c1C#N 473002469 RZEVITUWEJNJSC-UHFFFAOYSA-N 433.472 0.520 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480220669 RHFHGSNDNOWBBT-OAHLLOKOSA-N 428.470 0.636 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C2CCN(C)CC2)CC1 481252157 OBJRGRYYSRWDMD-MRXNPFEDSA-N 433.578 0.900 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1C 484177656 MJKRDNXSEGIHQR-ASSNKEHSSA-N 436.428 0.175 30 20 ICED CN(CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 488321378 HBCPOSLZDCFOPT-INIZCTEOSA-N 442.563 0.499 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502045662 VDYOJYRCOJIBMD-UHFFFAOYSA-N 429.452 0.940 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)C1=O 502116038 BMZURPGCOJHJJB-QZTJIDSGSA-N 428.489 0.158 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)C1=O 502116040 BMZURPGCOJHJJB-ROUUACIJSA-N 428.489 0.158 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Br)c2)c(=O)n1C 504415012 GIHVBEZNVWXYHU-UHFFFAOYSA-N 436.331 0.783 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 508864836 QTTSIMCWSLILIY-UHFFFAOYSA-N 439.567 0.878 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)cc1 511371016 WXCYLETWJVIYFV-INIZCTEOSA-N 425.532 0.652 30 20 ICED CC(C)N1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 511681272 HSSPXWPAVOYFAD-UHFFFAOYSA-N 433.578 0.854 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 513630446 OVYSWGCZMWNUFZ-UHFFFAOYSA-N 426.564 0.597 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 516678430 PUHCDWZRQWSCDH-FXAWDEMLSA-N 444.532 0.640 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1C#N 534792143 UWBHFNORQPECIS-UHFFFAOYSA-N 438.535 0.768 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542003826 NEHXVZROSBTDFG-LLVKDONJSA-N 436.515 0.944 30 20 ICED CN1CC[C@H](N2CCC(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1=O 552247131 COFONCHSMZBVLC-SFHVURJKSA-N 433.534 0.303 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 574433728 FFXSFPKFSRXVLE-UHFFFAOYSA-N 445.520 0.438 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 603796563 JBJJSWMLKSIOED-UHFFFAOYSA-N 440.569 0.580 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 608778794 ZRLXGEGGPPOFQH-UHFFFAOYSA-N 444.532 0.721 30 20 ICED C=CCn1c(SCC(=O)NC(C(N)=O)C(N)=O)nnc1-c1ccc(Cl)cc1Cl 637279752 UDGVZZPGMXQRED-UHFFFAOYSA-N 443.316 0.985 30 20 ICED O=C(NCC#CCNC(=O)c1ccnc(N2CCCC2)n1)c1ccnc(N2CCCC2)n1 681340431 JJXMTIHAOYHSPC-UHFFFAOYSA-N 434.504 0.630 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn(C)c3)c2=O)c1 726580966 JKZNASJVMNGTMW-OAHLLOKOSA-N 447.520 0.268 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 732156519 PEWBEJVHIAHLCR-ITZAQCPESA-N 426.429 0.453 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 745813695 PTGKRXSSJIVQBO-FZFLATATSA-N 427.461 0.492 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 747991297 IFFVHGQNWHVAHM-UHFFFAOYSA-N 445.907 0.203 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(CS(N)(=O)=O)c3)CC2)o1 748966264 CNDBUUSOVNHSKP-UHFFFAOYSA-N 447.473 0.149 30 20 ICED C#CCN1CCC[C@H]1COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 756556994 YTOVVYGBFIDKKK-IBGZPJMESA-N 447.557 0.941 30 20 ICED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1=NS(=O)(=O)c2ccccc21 757591448 UHHGYSBSGWOZPR-DZGCQCFKSA-N 447.517 0.943 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 760554500 IXDLCGFWZGLTKK-UHFFFAOYSA-N 430.324 0.513 30 20 ICED C[C@H]1CC(=O)CC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 760568106 RAXZZUSDYPWOBN-MAUKXSAKSA-N 447.513 0.940 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)[C@H]1CCCO1 773797743 RYGQIKJXFYPSKX-RBUKOAKNSA-N 448.545 0.248 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCCO1 775790671 HSAZIQNQVQOMJK-WOJBJXKFSA-N 433.530 0.493 30 20 ICED O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)CCN1 781104273 QIZSCCFJELTOAG-PJXFJRINSA-N 444.561 0.025 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785182972 MUKIMJGEBPHBBA-UHFFFAOYSA-N 427.417 0.743 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNc3ccc(C(N)=O)cc3)CC2)o1 786270789 MFDWMOXIWIDPDY-UHFFFAOYSA-N 426.433 0.258 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(=O)N1CCOCC1 787493336 KZQUSSYRKCLAMB-SFHVURJKSA-N 425.489 0.605 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 789797815 UWOMGHGAFOVHPR-OGTCDWKQSA-N 447.517 0.177 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1)c1cc[nH]n1 789954730 NSLBAHDSNBXBPK-UHFFFAOYSA-N 443.460 0.687 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 796185213 UJVJDGZWCPZTOA-UHFFFAOYSA-N 430.504 0.698 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 799269855 LGHJMUMIGWJILR-CJNGLKHVSA-N 436.490 0.389 30 20 ICED N#Cc1c(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)sc2c1CCC2 1473264615 VSZIHHDJTNPXJE-HOTGVXAUSA-N 438.575 0.524 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1696962503 JWWQWUGVHZORFM-AWEZNQCLSA-N 433.419 0.149 30 20 ICED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1696999647 QGPQDVLWBKIQPX-CQSZACIVSA-N 433.538 0.927 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1723957870 VSKXAZQKGZOQJS-DEYYWGMASA-N 426.543 0.558 30 20 ICED COCCN1C[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1749864360 NRJYEQLOGVHLLR-ROUUACIJSA-N 425.493 0.488 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CCO2)C1 1778969914 BPLIXXTVWKYESP-YGGLWSGOSA-N 438.550 0.192 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779322250 PNCYPFFUDFFCLV-AVBTWRTFSA-N 430.509 0.721 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1779339082 AWEZNKIOJDYKTN-AHWCRGGASA-N 440.537 0.689 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1781803164 OIPYAFRBMIRJPB-AUUYWEPGSA-N 425.432 0.637 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783131792 IGJVYAVPZBDUAQ-WIYYLYMNSA-N 449.529 0.496 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1783557092 ACKWCUKTDCMENH-LJQANCHMSA-N 435.820 0.709 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1783889991 NMVUKZRHLSNZOB-BEFAXECRSA-N 426.560 0.999 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1783972954 ONNZBFRARLBGPF-UTKZUKDTSA-N 443.529 0.992 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373112 AVFHLUWSOSFNES-VQIMIIECSA-N 439.463 0.498 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21 1784482335 IZMYSYVLTFQYMK-LGYWMIHWSA-N 437.500 0.899 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784612303 WSKZUZSZSMSILZ-SFRQHRMHSA-N 432.477 0.567 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784853346 IVCAEDBSUHHWMD-GJLUTBBRSA-N 447.532 0.625 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785630919 JTZQXGWGFCXIPQ-ZOBUZTSGSA-N 433.461 0.188 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788350712 HSACBQFRKFHICG-LAQRGFTBSA-N 432.521 0.832 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148323 DVQQQWDVOOXFLW-BQFCYCMXSA-N 430.461 0.273 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2 1793340953 VGQGCAFVSDAMIP-JWVYWZTKSA-N 431.558 0.734 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)s1 1795823586 RRWVXSYLXVRMRS-VPTLXERWSA-N 441.513 0.929 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815157 JOXQUONLGOODFZ-PDXWDTESSA-N 437.493 0.614 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797985563 POQYTWOVJBVWLZ-FSDCSDTHSA-N 432.521 0.701 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2ccccn2)CC1 1799087747 RQASPMMDVYGXPK-RPUPUWCGSA-N 440.544 0.926 30 20 ICED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)c(C#N)c1 1807058522 FEUANNVVQQJYEI-HTAPYJJXSA-N 449.515 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1 1814435859 CCVUWTVOGVIEQE-FJVVXJACSA-N 440.460 0.973 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819777626 FOEUCVBTRZQSPP-VTGBELTLSA-N 429.506 0.924 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1820967077 NCFSVOLXCPCZDB-JSGCOSHPSA-N 433.469 0.755 30 20 ICED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1826420773 RMKRARQTCGJOCG-LBPRGKRZSA-N 428.451 0.974 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1829769487 VPYFSUNBTJWDDJ-RMUOZIPVSA-N 432.452 0.149 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829849404 VLXCIETWSVGNBO-NQIIRXRSSA-N 425.526 0.340 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830644298 COPMXDAFKYGJMP-NQIIRXRSSA-N 440.562 0.788 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830768738 ZQKPMNQDRRUZQY-XUZZJYLKSA-N 425.529 0.979 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831393925 SDHZDXBBCQYUJX-SNYIIPAISA-N 441.528 0.196 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831485993 QESQQOZJQQOVSF-PZJWPPBQSA-N 442.626 0.035 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)cc1 1832806006 ZOVQWLAPGCETEK-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833062490 VRAFTNNTIZDPGC-PGRDOPGGSA-N 433.505 0.719 30 20 ICED N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1834675739 UKJBGRZDIRBEQF-UHFFFAOYSA-N 444.967 0.746 30 20 ICED N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccc(Cl)c1 1834732682 QXIGCQVCBLRRCZ-OAQYLSRUSA-N 446.935 0.999 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1834758013 FSOGQTBYAREMBP-HXUWFJFHSA-N 430.486 0.714 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835652024 AXWIOPHNYHWOID-NRFANRHFSA-N 445.545 0.953 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835881279 PBLAGLJMAKSEBV-VOJFVSQTSA-N 437.547 0.662 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836031849 ATQILXJUYRVWCM-QFIPXVFZSA-N 447.511 0.501 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169643 XMZOEHPVLODNNY-LJQANCHMSA-N 446.508 0.136 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nc[nH]c34)CCO2)C1 1836420432 KSSPTYBTPFEMRC-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468468 ATYLGTKMBQZAAL-KSFYIVLOSA-N 447.488 0.514 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1836484283 RRRKEWHITPOFST-AVRDEDQJSA-N 443.504 0.270 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837078382 IGPAKUFPNJCSGH-UHFFFAOYSA-N 432.521 0.730 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837108168 SSTVNJRSUXHOOC-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(C)c1C)CCO2 1838378760 GQPRUSZMYZDDIA-FUMRIQNTSA-N 444.532 0.570 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c1 1838580948 WUMASRDDLMUHSN-NRFANRHFSA-N 425.445 0.674 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741855 FEMIARLKXGNAOY-IERDGZPVSA-N 426.477 0.489 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1838950467 XPZAAXXZGQPMKP-QHCPKHFHSA-N 436.468 0.490 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1 1838951924 PRILDKQZMUOTPI-QFIPXVFZSA-N 437.456 0.741 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1839454096 UHTBMGPIGYSLEC-FDDCHVKYSA-N 440.500 0.463 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])CCO2 1839462568 XIIWDEWJXGADFQ-FQEVSTJZSA-N 431.401 0.085 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1839889343 PKLXFTJZIGOFNV-HNAYVOBHSA-N 431.480 0.959 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1840157694 XWVVUPWXMFNIHM-AOLYAMSZSA-N 425.463 0.976 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497712 QWVRXXQNKIGHIW-IIBYNOLFSA-N 434.493 0.587 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)CCC1 1840814783 XZEUSCPCYMKTTI-JOCHJYFZSA-N 443.504 0.689 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816485 WGHZGNGOJARBBD-OAQYLSRUSA-N 436.509 0.661 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)CC)C1 1841587071 DSDNGFVERWTRAS-OAHLLOKOSA-N 441.550 0.541 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1841603236 HYEWQJSHSDPRBH-ZACQAIPSSA-N 435.521 0.598 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)NC(=O)OCC)C3)c(O)n1 1842297566 RCSQPQFBSDDSBX-KRWDZBQOSA-N 432.477 0.787 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@H](S)C(C)C)C2 1846256007 IOJQDJZTQGIKAX-GOSISDBHSA-N 432.583 0.840 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2)C(C)(C)S 1846301543 VBEPZRSJSJNYGA-QWHCGFSZSA-N 429.587 0.078 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)cc1 16775726 WNWZNMUFPWPOQC-UHFFFAOYSA-N 442.497 0.586 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 24264144 GOFWVJGSGQCUOR-ZDUSSCGKSA-N 425.467 0.301 30 20 ICED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 429309722 NOXLPBMRSYDBRS-GOSISDBHSA-N 432.506 0.514 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 430405462 RUHMOKHYTUFAHM-VQTJNVASSA-N 434.581 0.925 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCC1 430974608 BLZSUQKSGLYHMG-UHFFFAOYSA-N 440.481 0.905 30 20 ICED COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 465871214 JBEBGOLFWJJEIL-GOSISDBHSA-N 446.527 0.756 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccc(C#N)c3=O)CC2)cc1 467206970 MAFXMKGNTOJGSI-UHFFFAOYSA-N 428.470 0.456 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)c1C#N 472873693 KCTBNFSKHSUWIK-UHFFFAOYSA-N 439.476 0.142 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cn1 475956563 OVTLBPFTVORMRF-IBGZPJMESA-N 437.504 0.562 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480930446 DAYFCAPNLSMSTN-UHFFFAOYSA-N 439.453 0.884 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)c(F)c1 501586086 SVFVCIQDEZKHLQ-SFHVURJKSA-N 443.523 0.963 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502156648 LMRXASXPIMXYCX-ZDUSSCGKSA-N 438.488 0.460 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504495911 ISNPHNIEKNYGKQ-UHFFFAOYSA-N 449.493 0.182 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2NCC)C1=O 508801798 OOVKOFJFESTSLB-UHFFFAOYSA-N 437.478 0.284 30 20 ICED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521154207 RRKXCTKSFHAXLM-WMZOPIPTSA-N 435.502 0.748 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 525532145 BSZPBFXGGFWPQY-UHFFFAOYSA-N 434.522 0.278 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 538309100 MNPMTDNDXRUJLO-UHFFFAOYSA-N 430.446 0.489 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 569162176 QYTKBAUZBLPJNL-KRWDZBQOSA-N 432.496 0.991 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 569831777 LKTCTXDIMIGBMM-UHFFFAOYSA-N 432.868 0.996 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc1 587658807 FLOJDOJUEJXCRK-UHFFFAOYSA-N 444.499 0.654 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 589234920 QOLVUEUOIIJWKY-UHFFFAOYSA-N 448.527 0.736 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(N)=O 608911061 HGVOHJZDGFQGJZ-UHFFFAOYSA-N 442.541 0.058 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 609668207 JWBZIRAOFGKIGV-IBGZPJMESA-N 434.562 0.900 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222465 WFKRNVKMQKLXOI-UHFFFAOYSA-N 440.447 0.999 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 673739730 WNSNAZZDDLQQIM-HNNXBMFYSA-N 432.502 0.812 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCCOC)CC1 729371509 LURCZJPDTUHDJR-UHFFFAOYSA-N 425.489 0.405 30 20 ICED COc1ccc(CSCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 732907828 DLSSYCYVGABRPN-ZDUSSCGKSA-N 441.487 0.802 30 20 ICED CN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 733098321 MUOUZYJMWQQWMJ-QNGOZBTKSA-N 449.489 0.639 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735001940 XJABUJBNJGSJGC-OQKWZONESA-N 447.517 0.929 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735001942 XJABUJBNJGSJGC-XLNRJJMWSA-N 447.517 0.929 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 737251574 KUGSKRICOUFMQV-UHFFFAOYSA-N 444.488 0.833 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742487083 JZAVONOULVZNMC-HNNXBMFYSA-N 435.550 0.173 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1 743932731 AXZHCSQYFWZUCP-RNWAHURQSA-N 448.505 0.021 30 20 ICED C[C@H](CC(=O)OCC(=O)NCCCn1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 745495156 CPPFGXHYQYZIEL-CQSZACIVSA-N 433.490 0.450 30 20 ICED COC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)sc2c1CCCC2 746037230 KBJTVAMUBHIVBI-NXVVXOECSA-N 446.485 0.995 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCOC 748043166 RGSKWVJCFPMTJH-ZBFHGGJFSA-N 445.541 0.928 30 20 ICED COC(=O)[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 751622743 NLAJRCJKWCQSRS-YOEHRIQHSA-N 433.442 0.481 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cn1C 751656787 JKQXDZQTNWDZLT-CYBMUJFWSA-N 437.503 0.679 30 20 ICED CC(C)Cn1[nH]c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1=O 752758604 AFEZCPKMBVTLLN-UHFFFAOYSA-N 431.518 0.780 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 756763350 YWSOBIVFUCNTPW-SNVBAGLBSA-N 425.854 0.794 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760384635 GVUGMLJINBSAEC-UHFFFAOYSA-N 431.543 0.148 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 761038772 YTAQPBKSCOXZFF-UHFFFAOYSA-N 448.467 0.286 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 762946025 WCVHDHUPDGSGED-STQMWFEESA-N 444.469 0.894 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc[nH]n1 772310533 FTJBAYNZEWQODM-SOLBZPMBSA-N 439.472 0.967 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)cc(C)c1O 777443478 LGIOWSXUGLJDBH-UHFFFAOYSA-N 445.295 0.563 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 783347270 LXHRBZKNAUJIGD-UHFFFAOYSA-N 436.534 0.006 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 784866923 CKUXXEXNLPSSAN-AAUPIPAWSA-N 435.506 0.223 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 785043706 LMZRDMNLCMBQDP-JWGURIENSA-N 433.494 0.236 30 20 ICED CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 787503408 WGTGCXDECKJSQW-UHFFFAOYSA-N 449.559 0.935 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 792660427 VQIQPROADZBPJW-IBGZPJMESA-N 445.479 0.972 30 20 ICED CC(=O)N[C@@](C)(C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797514746 HXCWHSVJUVNTCA-ORAYPTAESA-N 435.502 0.936 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 800114869 JGDAEBIZAYYKNS-HOTGVXAUSA-N 443.570 0.866 30 20 ICED C#CCNc1nc(N[C@@H](C)[C@H](C)N2CCOCC2)nc(N[C@H](C)[C@H](C)N2CCOCC2)n1 804432197 VFXUBQWFSROLJU-RDGPPVDQSA-N 446.600 0.959 30 20 ICED CN(c1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1)S(C)(=O)=O 805339044 WWXFAJOINIVFRP-UHFFFAOYSA-N 430.490 0.194 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806610758 XIYHMCOXTXENLE-UHFFFAOYSA-N 443.525 0.664 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@@H](C)C1 807319170 UNRBUAHFSBRKEG-YUCJCZDXSA-N 435.550 0.991 30 20 ICED Cc1nn(C)cc1S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 809037354 WQFFGAJPLNYGBA-JTQLQIEISA-N 425.492 0.051 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)c1C#N 809527671 UVKGFXMUIDUMRX-OAGGEKHMSA-N 434.591 0.745 30 20 ICED C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812395193 NTFRFXDOBCXXDP-WBVHZDCISA-N 437.566 0.860 30 20 ICED CCOC(=O)c1cc(COC)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 813665004 BBGLIWOOMCODFJ-ZCXUNETKSA-N 437.474 0.814 30 20 ICED C#CCN(C)CCCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 815082329 LBEMYQPAHCBZEL-UHFFFAOYSA-N 429.340 0.873 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnn1CCOc1ccc(F)cc1 815490950 FAGNAWUOWRZKLK-KRWDZBQOSA-N 441.467 0.942 30 20 ICED Cn1cc(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 917978403 GRMJCYNTICJFRW-UHFFFAOYSA-N 445.501 0.301 30 20 ICED Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1290222627 XZBMUSDLDRXHLP-NVXWUHKLSA-N 444.565 0.817 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(C)COC3)CC2)c1C#N 1290577221 LRVRFRWMNIMHJA-UHFFFAOYSA-N 441.540 0.693 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1303947743 WHBPBODCKHDYTE-FOIQADDNSA-N 428.518 0.953 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1313549137 WWMMQAAYLXNGDO-GOSISDBHSA-N 425.493 0.636 30 20 ICED CCOC(=O)[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC12COC2 1471719869 NZNHGQAZIPLLPK-ZFWWWQNUSA-N 435.502 0.542 30 20 ICED COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1504580691 MNUSTWHAVSUIND-MAUKXSAKSA-N 448.549 0.948 30 20 ICED CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541943062 PEMKELFGZUZTJU-NVXWUHKLSA-N 438.602 0.405 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC[C@@H](F)C2)C1 1555813321 MOIHQROLCACKLK-JJXSEGSLSA-N 442.517 0.478 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 1621649656 RPNVEJRUIAHNOP-UHFFFAOYSA-N 447.535 0.869 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)O 1693747580 NEWALWDBBCFGAM-KBPBESRZSA-N 425.497 0.377 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1698033257 LASQUWZHLIDNOW-QGZVFWFLSA-N 441.536 0.974 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)Cc1ccccc1 1751236138 PFOXVTPKIXDTBF-AEFFLSMTSA-N 447.565 0.749 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065607 YSLGNWMZLUEENI-MBSDFSHPSA-N 441.532 0.806 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779103561 WQBIAFKJJROYHM-RXQHMNIESA-N 442.476 0.702 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1Cl 1780191564 FNTHJUIDVFWAQT-HXUWFJFHSA-N 430.896 0.495 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197155 AVBCZCLZXQKRJS-OAQYLSRUSA-N 440.460 0.672 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781099140 PFBNKWAJPXJRAY-FDDCHVKYSA-N 425.533 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1781267957 CIDSXRKZKRFVDS-OAQYLSRUSA-N 427.461 0.911 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786150 XWDRSMUYPWVQQO-FOIQADDNSA-N 434.449 0.178 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)CCO2 1783053327 WYTSXHRBIDCTGV-UTKZUKDTSA-N 437.418 0.614 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1783486544 UMZKTPOIHXVGGJ-CKBXSBTMSA-N 449.548 0.607 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1783577203 GITWCQFPSSPCQI-TUFLPTIASA-N 426.517 0.995 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1784018034 DOEWGPWMTISSRD-XMSQKQJNSA-N 438.488 0.406 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)C1 1784082046 QQMPJFRIUDVLGY-VMXHOPILSA-N 448.564 0.837 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785516019 XYARCCNYGALSLM-VTJXTGGHSA-N 435.477 0.208 30 20 ICED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)C(F)(F)F 1788676910 WXQSNTUTDIWIHV-QDOVLLSLSA-N 431.411 0.992 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCNC(=O)c4ccc[nH]4)C[C@@H]32)c1 1789343192 QNRHTLPUBLCINK-BXWFABGCSA-N 438.488 0.628 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccn5c(O)nnc45)C[C@@H]32)c1 1789344027 DBSVZRZXVHAUGL-QRTARXTBSA-N 435.444 0.542 30 20 ICED CC[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 1792128391 IUCHIACSEORLFJ-JONQDZQNSA-N 437.493 0.357 30 20 ICED 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CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 520773844 FWSUUSJZHZCUTC-UHFFFAOYSA-N 430.484 0.610 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4C)CC2)c1C#N 530414301 LEORRLDAEFXUSQ-UHFFFAOYSA-N 435.488 0.797 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2O1 546197596 MSHNSRBBSGUCGO-GOSISDBHSA-N 434.456 0.142 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 553151714 OBCJGEYWMINCSI-MRXNPFEDSA-N 427.548 0.995 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)C1=O 556193408 MFZOAGGTMNZORR-QUCCMNQESA-N 427.549 0.559 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CCN1Cc1ccccc1 566933140 YICZBDMERUNFBU-BHIFYINESA-N 439.560 0.983 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)CS(C)(=O)=O 580854744 ADXHEVVPQRHJEK-WMLDXEAASA-N 434.518 0.451 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C2CC2)c1=O 582314177 KUZADEHWSJIZGM-OAHLLOKOSA-N 442.541 0.976 30 20 ICED COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 588129030 YMDUVYOIEMCBBL-UHFFFAOYSA-N 441.532 0.403 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589398739 DMVTXNCROVXOJB-UHFFFAOYSA-N 438.492 0.090 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911733 OPXHXHPQJDESNC-UHFFFAOYSA-N 436.415 0.219 30 20 ICED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611593828 HFWNIUGCEPIYRY-UHFFFAOYSA-N 427.484 0.964 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(CC#N)c2)c1 619482234 DRIXGDMSDFRJNU-CYBMUJFWSA-N 436.515 0.966 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 729282186 ZKZOOHMVJPSAAR-AQNXPRMDSA-N 442.560 0.636 30 20 ICED N#C[C@@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C(=O)N1CCS(=O)(=O)CC1 732909891 IGKDOJSCNOQGNM-NSHDSACASA-N 441.391 0.866 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCc3ccc(OCC#N)cc3)CC2)cn1 741278074 SUHYKQVUYKVSDH-UHFFFAOYSA-N 432.506 0.975 30 20 ICED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741344215 YEMPRZFXPNPFPG-HNENSFHCSA-N 437.474 0.775 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1 743900361 HKLBLMTWBMZBRY-UHFFFAOYSA-N 431.445 0.417 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1 749873295 FWZBHHHJIOVLRF-QFIPXVFZSA-N 426.473 0.436 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc1 757967893 SJIHXHOBMGLXFF-UHFFFAOYSA-N 442.497 0.786 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C#N)C1 758467015 FFWUKAHBSWQNCU-ZIAGYGMSSA-N 447.583 0.423 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccn(C)n2)cc1 761073994 PAUCVGFININDPP-HAVVHWLPSA-N 432.506 0.530 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)n1 761102130 UGZFJNZVYIFJLY-UHFFFAOYSA-N 433.472 0.177 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)CC1 778735111 BQEKEIASPOTJJK-UHFFFAOYSA-N 439.516 0.846 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)nc2c1c(=O)n(C)c(=O)n2C 781601554 HORUJXUXXASPMD-UHFFFAOYSA-N 431.405 0.070 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)n(C)c1=O 786559792 IWTOTMKZRMHWTA-CYBMUJFWSA-N 444.398 0.127 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1-c1ccsc1 790439946 YODMFZMNCYXUTP-UHFFFAOYSA-N 440.506 0.880 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3cnccc3C#N)CC1)C2=O 795040115 APJNQHFXANKLPK-UHFFFAOYSA-N 425.493 0.607 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCn2cnc(C#N)n2)C1=O 795184367 ULCWILNGUSAOOD-CQSZACIVSA-N 427.446 0.646 30 20 ICED CC1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 796421371 ZPHPMQYSLRPJGK-YCABEKBOSA-N 425.532 0.752 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 798145138 GYDGIEHSUCXVSJ-CQSZACIVSA-N 447.521 0.307 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 798741214 LMVWXHKIROOAQE-BLVKFPJESA-N 425.405 0.142 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051235 HIHUEAUDIZZJDI-UHFFFAOYSA-N 436.478 0.244 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814250294 MLFAEJJOBBNLDI-UHFFFAOYSA-N 437.472 0.365 30 20 ICED Cc1c(NC(=O)CSCC(=O)N[C@H]2CCCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 816758150 JBZFNZIHTSPVJU-HNNXBMFYSA-N 447.517 0.653 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCN(C)CC1 838498075 PDRVTERJSNAPSN-QGZVFWFLSA-N 449.577 0.516 30 20 ICED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1sc2c(c1C#N)CCC2 856454941 BOWQERKPDYCQQL-JTQLQIEISA-N 447.498 0.948 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NC2CC2)CC1 916926936 HJWBJOBCKPLRFT-INIZCTEOSA-N 433.486 0.861 30 20 ICED N#CC1(NC(=O)CN(CC(=O)NC2(C#N)CCOCC2)Cc2ccccc2)CCOCC1 1118368656 NXCYSTZOZGHZFA-UHFFFAOYSA-N 439.516 0.867 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1158214456 MSDZHZCNGXRJLK-INIZCTEOSA-N 447.307 0.764 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCC(=O)N(C)C 1288818069 RIRUYDITGIZKHH-AWEZNQCLSA-N 425.559 0.887 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CC(=O)N(C)C 1291195200 LVYMDEMBYCWZPW-OAHLLOKOSA-N 432.492 0.805 30 20 ICED CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1296204526 KZVGTFQPMGHCIA-ROUUACIJSA-N 437.614 0.804 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCNS(C)(=O)=O)CC2)c1C#N 1304730968 KEZVSTAPRBUHHL-UHFFFAOYSA-N 447.569 0.020 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1510113208 RAXNYOGREGRTEH-IEBWSBKVSA-N 444.584 0.561 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1511315874 XRIJNRKCTNCCEZ-XLIONFOSSA-N 431.518 0.456 30 20 ICED Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n1 1543422862 CRQMDPJUWYLRJL-MRXNPFEDSA-N 427.513 0.917 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1611308092 LLIOSEBWNSXMSY-DOTOQJQBSA-N 433.538 0.987 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1690346626 YETMIPWVVGNJQZ-CQSZACIVSA-N 429.934 0.733 30 20 ICED CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698307893 LYFADOXMIGEPSB-INIZCTEOSA-N 431.522 0.420 30 20 ICED C[C@@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1741875563 PNOLIOAGAVRFNG-JKSUJKDBSA-N 439.586 0.597 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1767390639 ZOOBOJJYDAVPEY-UHFFFAOYSA-N 428.522 0.778 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1771529600 QRNGLNUCZMUHOY-QAPCUYQASA-N 426.518 0.344 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ncccc23)C1 1777945002 DSRDNMVNDKUKGB-ZWDAVXSWSA-N 425.489 0.895 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778057400 YCYMQWBIRKRRLH-HSZRJFAPSA-N 448.483 0.818 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CC1 1778260616 KDODBMXCMCILME-ZDUIWUOISA-N 446.573 0.564 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1779419600 DEDUKWLXHBIGHT-LPQMPUQFSA-N 446.504 0.977 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1c[nH]c(=O)cn1 1780122874 UIJWFOJAACXXAO-XMSQKQJNSA-N 442.516 0.596 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311838 PBKKIMNOYMQPRP-FCHUYYIVSA-N 435.521 0.914 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1781791879 MCALAOYIVZPEBE-QFIPXVFZSA-N 437.456 0.771 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(Cl)c1 1781971127 MHGMXPSPBGOFEH-FQEVSTJZSA-N 443.895 0.988 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1OC 1782013799 LAUCEFCNEVFULH-XMSQKQJNSA-N 430.457 0.919 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782603320 GGLMQNRPSLLBLW-JXXFODFXSA-N 434.497 0.257 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782855526 HHLLYLHSLNJYGQ-UZUQRXQVSA-N 442.516 0.866 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784503546 DALZTNZWPYMEOG-CTXVOCDESA-N 440.493 0.052 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1784539373 MHNKLNDJGGUEPE-WJBDPIGGSA-N 428.489 0.537 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(OC)n3)[C@H]2C1 1785195725 YKJDORUJKNHECX-SMDJPQOOSA-N 442.516 0.471 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4cncn4c3)[C@H]2C1 1788424967 FZCGOGYTNGHTFO-HYGDWFSYSA-N 437.500 0.786 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637115 HKASUYFFTRQDBN-OKYOBFRVSA-N 438.590 0.779 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788668250 QVQUGTKVDWKMCF-LNLFQRSKSA-N 448.520 0.675 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790608600 OQOSXTKTHKBVQL-RNCJVDDHSA-N 438.525 0.999 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 1791072721 YJFIPZGRIRRXRM-SZMVWBNQSA-N 429.429 0.595 30 20 ICED CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791307051 URDMUQCYEUVBQL-XXFKLHPPSA-N 443.566 0.609 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C3)C1 1792440360 QWGLUPPVIBZZHK-XMTFNYHQSA-N 436.553 0.784 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1 1795257932 CYSLULYGFHNERV-ROAZTASUSA-N 427.501 0.686 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795454080 YBMJARWKWTXJRW-FAQVEIGNSA-N 426.473 0.149 30 20 ICED Cn1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1=O 1797781156 ZNHJEAYOKFFXLK-XEMDLRDOSA-N 427.501 0.287 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1797782776 RZWIFVKESPUKFS-UPHUGPLXSA-N 437.500 0.631 30 20 ICED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC1(O)CCCCC1)CCC2 1797783800 MCZHCFOEPGWMAK-UPHUGPLXSA-N 440.544 0.811 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc[n+]([O-])c3)C4)c2c1 1799883384 CKCIVXNXJZIARC-HGKCTWBKSA-N 432.440 0.585 30 20 ICED C[C@@H](S)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 1800989261 IAYOHVWVLXLCFY-USRAEIGSSA-N 441.550 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)c1 1801299426 NGOOUYJDYZWTKM-JLVBRIDZSA-N 442.501 0.680 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948999 LVXCIGGXNPGISH-JXFKEZNVSA-N 448.487 0.721 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810360535 OVQUUZRHQURQOY-OOPQWDFXSA-N 445.476 0.725 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)nc2)[C@@H]1c1cccnc1 1812527005 VHULAPJAALNYPE-OXJNMPFZSA-N 426.498 0.974 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817358997 LELZKCSIVWZVSV-HIFRSBDPSA-N 434.497 0.504 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1824486840 AFKRHTJBSVQOCW-QFBILLFUSA-N 441.532 0.898 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536405 HFSWBZVLTDLCRH-ZDUSSCGKSA-N 445.501 0.821 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829262105 IFAPNRDPRWMMHV-QFIPXVFZSA-N 426.473 0.160 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(O)c1OC 1831219422 ZWNFVRZSTCTXDM-HSZRJFAPSA-N 444.484 0.893 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831222837 ILPFFRTVVXOYMQ-DEOSSOPVSA-N 439.512 0.872 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1831387469 JDBVWUXXNVTJCZ-HFJQGTKSSA-N 430.501 0.879 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1831394183 YSEKORJAYPKMMI-FHJLPGHOSA-N 427.501 0.690 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831395934 CBRDDIJDPVRHDB-AOMKIAJQSA-N 446.504 0.033 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831493918 VSKQBFXGEQNKJI-QYSOJTHCSA-N 443.566 0.926 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183913 KKOIOYZPQXJICC-QGZVFWFLSA-N 438.422 0.625 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)C(C)(C)C)CC2)CC1 1833283565 HZVRNPMFYQKDRW-NGXITPROSA-N 434.581 0.823 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1833474797 AUDYZDXQJXKICD-IBGZPJMESA-N 435.613 0.397 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833897896 QZQAPEHYPQLYAQ-VRMLFSPKSA-N 447.540 0.529 30 20 ICED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834074460 FTTOTBZNSXYMRK-HZHRSRAPSA-N 430.557 0.472 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1834716788 YMWALQYIVBPLLV-UHFFFAOYSA-N 442.564 0.787 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1 1834740652 PISDRRVVYXKVOB-KRWDZBQOSA-N 426.583 0.540 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)ccc1F 1835513887 MPCFLEPAZZCHJW-FQEVSTJZSA-N 449.508 0.323 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835681255 VVEIOPSWLUWUNM-GCJKJVERSA-N 435.569 0.066 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836846166 HMFIONKBZSNZSO-INIZCTEOSA-N 427.567 0.726 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837393146 LLDZIHFADOEZRQ-SJCJKPOMSA-N 426.407 0.916 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1837396407 CUNGEEDZYWKVBL-HFJQGTKSSA-N 446.548 0.912 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443747 QJKPEQLVIKTKRW-SGCYSOCQSA-N 429.521 0.932 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837566691 HDXMZRLCSXKPLF-NYNQOQISSA-N 443.456 0.880 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625591 ANVYFBGXTFYIEJ-KKSFZXQISA-N 432.477 0.068 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837625652 DTEGYPVCZCYIMH-FQEVSTJZSA-N 434.518 0.396 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837701900 YUIIGWPOAKYNEA-OYHNWAKOSA-N 444.463 0.458 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838400750 PRXZTWFOUNUFNK-UHFFFAOYSA-N 443.548 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1839172434 RHBZSMHTFPEKLE-OAQYLSRUSA-N 449.529 0.950 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1839175152 RPZSLTJMCBCLIV-NRFANRHFSA-N 432.477 0.364 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839222322 KBKXUWZOYMCQRV-XLIONFOSSA-N 442.582 0.293 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839227828 ZMCNNHSMBCXVBL-VBKZILBWSA-N 449.464 0.046 30 20 ICED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839360885 DYTIVCDFPSCHTB-QFIPXVFZSA-N 443.504 0.094 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419330 WFTCWUFKVIARFC-UGKGYDQZSA-N 446.479 0.682 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533083 RCCUIMIDLDHOMT-KKSFZXQISA-N 433.509 0.700 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077983 WVYLXWXYEOPYQI-KNQAVFIVSA-N 442.553 0.725 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1840158200 IQGSRKYYOVBUOC-KKSFZXQISA-N 437.562 0.906 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1840168071 FJJJVXAKWWVWKG-QFIPXVFZSA-N 440.504 0.615 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840169655 ORDGNGTXCSZLJJ-MBSDFSHPSA-N 442.516 0.460 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1840714468 VACDMPUDRBYOND-HTAPYJJXSA-N 438.488 0.675 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1840719380 KBJITNOKSPVUGK-LJQANCHMSA-N 426.347 0.262 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4COc5ccccc5O4)C3)C2)CCC1 1840812223 GIWMNMVUHHKWIV-WMZHIEFXSA-N 441.484 0.977 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841607624 ZSLMGFLIXMFLPH-KRWDZBQOSA-N 441.532 0.816 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)CC1 1846979247 UXYUHKFMQVOQTK-UHFFFAOYSA-N 439.516 0.305 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847346425 GOKRHTIRBGUTMM-HOTGVXAUSA-N 437.504 0.931 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)cn1C 433875521 SLBJBLWKEGGEEQ-UHFFFAOYSA-N 434.453 0.211 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 435601236 KUMKFYQBLGAAGQ-QAPCUYQASA-N 430.548 0.967 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(N)=O)nc3)CC2)cc1 440665550 BDXBHGZWKPVIEL-UHFFFAOYSA-N 427.486 0.769 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 446521081 FSQLILKRZOXSBH-UHFFFAOYSA-N 449.533 0.239 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3c[nH]nc3-c3nccs3)CC2)c1C#N 447219230 SFNDZPFVTGFCJX-UHFFFAOYSA-N 425.478 0.734 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c1=O)CCC2 447416847 DZPLTZDBALICMF-OAQYLSRUSA-N 448.479 0.719 30 20 ICED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 462696608 ASCSBOQRQIDJDB-AWEZNQCLSA-N 444.535 0.986 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465402108 IGQXXXXCFVLZMH-AWEZNQCLSA-N 442.501 0.736 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)cc1 479376143 MKILZOOIAAEEJL-UHFFFAOYSA-N 431.430 0.161 30 20 ICED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 483948139 QOEUTJPWSLTDNO-UHFFFAOYSA-N 443.485 0.871 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 498181900 FAMJNESMNWSADD-UHFFFAOYSA-N 429.458 0.433 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)c(F)c1 501586085 SVFVCIQDEZKHLQ-GOSISDBHSA-N 443.523 0.963 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506694673 KTGVLMADMVMDAS-DUVNUKRYSA-N 428.536 0.059 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)cc1 508421803 IKSCXZWBRJFGKH-OAQYLSRUSA-N 442.564 0.743 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 509193600 CRELRHDUJIDFSF-LDKKBFSKSA-N 434.588 0.434 30 20 ICED COCCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCS(=O)(=O)C1 520862691 AYQUPCFOAXXWGZ-MRXNPFEDSA-N 443.547 0.463 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038348 MGOVIKXGTCOZGR-MRXNPFEDSA-N 425.510 0.511 30 20 ICED COC(=O)C1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCC1 532642458 JBBOWMIEUMRGON-UHFFFAOYSA-N 448.545 0.857 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2)C1 538112885 VVFKFOMXFJTIIL-ZIAGYGMSSA-N 436.490 0.475 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 540347179 WVRJAPBUAKWSQS-RBUKOAKNSA-N 447.584 0.977 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 547415629 GXUALFYZHYYYBF-UHFFFAOYSA-N 429.458 0.433 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 548850593 KITYYMFOXINHNT-CQSZACIVSA-N 433.494 0.996 30 20 ICED N#Cc1cc(Br)ccc1Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553483027 NKMUWUMBJXFGJD-LSCFUAHRSA-N 448.233 0.864 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 554090857 AGQMSPVWTIOHFO-CRAIPNDOSA-N 433.534 0.725 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 560305014 VUOOLSKTMQSOID-UHFFFAOYSA-N 449.577 0.380 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 580671358 BUPWCXHJZDXZKX-MRXNPFEDSA-N 444.579 0.542 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cc1 603796121 PXRYQXNVLSXRME-UHFFFAOYSA-N 427.526 0.936 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 610798072 PYEVUJIMFZGYJU-INIZCTEOSA-N 433.534 0.975 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 615311535 OOCNYRWOISVKDM-KRWDZBQOSA-N 429.521 0.807 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 615315741 OUYWNMJJPVYJPZ-HNNXBMFYSA-N 437.447 0.621 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c1F 619696476 UKZMRQOTWDYTMN-UHFFFAOYSA-N 440.456 0.875 30 20 ICED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 727010676 IJUARVKIOFXCKL-GFCCVEGCSA-N 430.442 0.506 30 20 ICED C#CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 728567831 ZIXYICDNGHSWIV-UHFFFAOYSA-N 449.533 0.641 30 20 ICED N#C[C@@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN1Cc1ccccc1 733947405 ZIPMVOUNILEVBE-QZTJIDSGSA-N 443.529 0.388 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 741007947 PNCSQRKUXMXMKU-UHFFFAOYSA-N 436.534 0.607 30 20 ICED C[C@H](CC(=O)OCc1nc(O)c2cnn(C)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 745495717 IETUHEITXDGCHK-SNVBAGLBSA-N 430.446 0.629 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nc1 746121545 LKHFYJHVQBCHJJ-CQSZACIVSA-N 428.474 0.182 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 757152359 XRIAOLIDYGCFHC-CYBMUJFWSA-N 426.458 0.230 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2cccc(OCC#N)c2)c(=O)n(C)c1=O 760637511 HZNKBFQXSZJBQL-UHFFFAOYSA-N 428.445 0.656 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761172189 LOHOEFRRDQSJHS-HNNXBMFYSA-N 431.468 0.822 30 20 ICED COC(=O)[C@H](COC(C)C)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766808006 DBESMJQALPXOLQ-HIFRSBDPSA-N 425.507 0.929 30 20 ICED CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769643196 ZOQDLVFDRZXCEX-IBGZPJMESA-N 443.481 0.696 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)[C@H]1CCCO1 773806974 WIJKZAJZQFTOJS-QFBILLFUSA-N 428.489 0.318 30 20 ICED N#Cc1cc(O)cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 776274314 NGQWVOHHQNMMAY-UHFFFAOYSA-N 429.454 0.954 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 777386973 GHQOJKXVTGPVDH-UHFFFAOYSA-N 445.516 0.959 30 20 ICED N#C[C@H](C(=O)c1cnc2ncc(Br)cc2c1)C(=O)N1CCS(=O)(=O)CC1 781475022 RSPFAOOVXRSBKD-CYBMUJFWSA-N 437.275 0.972 30 20 ICED C=CCS(=O)(=O)CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 782890266 KJXNGAWRIBXCBI-UHFFFAOYSA-N 433.577 0.595 30 20 ICED CCN1CCN(C(=O)[C@@H](C)OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 783673419 NZGTYRGFXFBUDK-CRAIPNDOSA-N 441.488 0.859 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 785011350 XZSUBDVYJDNWQC-HKKHXYRBSA-N 447.517 0.317 30 20 ICED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785210829 RUDPRFYDNIVKKG-GHOZOMOVSA-N 437.522 0.278 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)[nH]c21 786558228 PEDQNHDRXZKVKB-NSHDSACASA-N 430.371 0.598 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 786911280 AMFNGOGITLGZNF-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 787505368 NHPOZTKJTMIAGV-HNNXBMFYSA-N 444.531 0.343 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)n1 792371206 OEPUTDFKBLTSCL-UHFFFAOYSA-N 436.472 0.971 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 800632845 CTLMDPNGBJEKAP-HIFRSBDPSA-N 427.548 0.785 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)C1 800715122 KTGSJNFCKQLVEY-ZQDZILKHSA-N 429.543 0.763 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 802525004 PAWVJPZXCKSRHG-UHFFFAOYSA-N 439.520 0.776 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 804497056 UNAKOXFKVNUWPY-DOTOQJQBSA-N 427.548 0.436 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 893393467 NKMWGGDXLAFIJB-LBPRGKRZSA-N 443.453 0.404 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)cc2OC)c1=O 916198187 FBIRTGIKBDYQCJ-UHFFFAOYSA-N 431.514 0.601 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)CC2)nc1 919728032 KKKHCHUUAFJIOQ-UHFFFAOYSA-N 430.442 0.934 30 20 ICED CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1298005159 MLMQXXIXQUDLRU-INIZCTEOSA-N 425.497 0.269 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1314523044 SKAMJUIRUUXFCD-UHFFFAOYSA-N 425.536 0.732 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1545148149 IUWOGUSXUYYVMX-GIMINZRKSA-N 440.504 0.970 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(C)CC1 1558847128 VIEWHAARHSVBLT-MRXNPFEDSA-N 435.550 0.174 30 20 ICED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1619900272 XZUNKRFKECDDBS-PGRDOPGGSA-N 440.504 0.905 30 20 ICED Cc1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1669976329 CATMOZAKUFCEEV-KRWDZBQOSA-N 429.520 0.055 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1728260712 YUSXJZSOJOBRJN-UHFFFAOYSA-N 425.493 0.766 30 20 ICED CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747416133 OUSUGJHQGKEZBX-AWEZNQCLSA-N 430.538 0.967 30 20 ICED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1766731084 MFHZLQQICYEIPX-UHFFFAOYSA-N 445.549 0.848 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1770412579 KZLVJQNJIKGEJQ-HZPDHXFCSA-N 446.533 0.964 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1778968821 WWYWZEAWWYBJOR-KKSFZXQISA-N 435.546 0.881 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779068519 CFMHPJOTCAUTFD-HSZRJFAPSA-N 426.517 0.938 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107420 UGMWOQNGDIYZHL-QBRPEMMGSA-N 447.536 0.938 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780804154 OPGWIDJLPOHYTA-RZQQEMMASA-N 441.598 0.785 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1)C(=O)O 1781103130 DDKINMOGASYRTO-JBYIUTFZSA-N 446.479 0.888 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1781310788 UANOKJSFBPKENB-XMSQKQJNSA-N 430.505 0.646 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781760951 VNKYLTZELQJDQU-JOCHJYFZSA-N 429.473 0.738 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1781968102 DIHHKRLQVVZVSQ-OAQYLSRUSA-N 426.404 0.066 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3c(F)cccc3n1)C2 1782015714 ZXAGKKGIELKWRU-QVKFZJNVSA-N 428.420 0.689 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)C2)C1 1782026023 JNKUEMQCYREFKO-GOSISDBHSA-N 425.894 0.788 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279713 OIHBRHBWEJUMCZ-QHCPKHFHSA-N 442.516 0.808 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C[C@@H]21 1783528575 XECORINXXQEOSN-WUAWGRHNSA-N 447.532 0.414 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)cn3)[C@H]2C1 1787031856 OZTJJCROCXPSNR-FCPZNUGYSA-N 430.480 0.601 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788474141 WYVQGRYROKIVQN-LSTDLKDCSA-N 430.461 0.216 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1788660215 BJHCCLVCTMGXDU-ZNGGQQJQSA-N 436.465 0.289 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789135507 OGUAWGULRRPIJO-AESZEHBQSA-N 444.513 0.388 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789952835 UWXOENSCVXXSNU-UGUYLWEFSA-N 429.539 0.673 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1792835596 YPWKWPPRJQBQIE-PZTGFMGMSA-N 429.904 0.807 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793361968 XNQNOYUNJBPHME-JBXGNFEISA-N 427.498 0.010 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1794107962 DHTVZKZZAGNSJD-LJGDNWOOSA-N 428.489 0.549 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1795598313 ASJLXJVOUFVWGZ-WOZUAGRISA-N 439.560 0.572 30 20 ICED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1OC 1795599595 ZRPWYGNORHKILQ-SCAQPMJSSA-N 445.520 0.584 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc2ccccc12 1795762815 WTUPYSSTRSLQGY-JVDGZWEOSA-N 438.484 0.818 30 20 ICED C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)n[nH]c21 1796972367 XRHRXCRZSPAGPM-ZXFNITATSA-N 428.537 0.944 30 20 ICED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)cnc2c1 1797067425 GYNMASHBTNIJMT-CWPLJXCYSA-N 446.467 0.720 30 20 ICED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810970 AZZFLQNPBMUDPL-LPUCPTHISA-N 435.481 0.161 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)[nH]2)c(O)n1 1798179123 IPVLEGZYUCLPGX-FVCICTRLSA-N 427.461 0.852 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798423020 OZRQQTGOFGGZGS-FAQVEIGNSA-N 446.467 0.883 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)cn1 1799324477 IVLOQIMKZCVASN-VPTLXERWSA-N 439.447 0.942 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801887 ONLBYOMAMWILSD-YRPNKDGESA-N 428.489 0.221 30 20 ICED 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 1800454949 TVINGZBTKBEECY-OCVGTWLNSA-N 425.551 0.811 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713893 QRXNBODYPIVDAI-WIYYLYMNSA-N 436.578 0.293 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc(OCF)cn2)[C@@H]1c1cccnc1 1812874174 IDEANSRLHXJXSW-AUUYWEPGSA-N 427.392 0.585 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=S)NCC)[nH]n1 1814439651 VQGHKYFLKOQVFH-CDNLZTBQSA-N 447.565 0.744 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)cc1 1815063359 CZDRAINYNSZMCW-UONOGXRCSA-N 426.502 0.833 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972651 GVLCMISAVYSMLF-DOTOQJQBSA-N 435.525 0.959 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322867 KMODAKOZCHADQL-MLGOLLRUSA-N 430.596 0.296 30 20 ICED O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)N1 1830467091 SHILYOFORXLTSI-AVRDEDQJSA-N 445.903 0.427 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3CC(O)C3)CCO4)c2c1 1830586378 RJKUXWZOWPQOLD-WTOQYCPUSA-N 439.472 0.275 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831125643 WIKLPCRPTVPUML-HSZRJFAPSA-N 434.533 0.757 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831495814 NJINSAMWGVKUIA-UTKZUKDTSA-N 435.546 0.810 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831579033 QGJYMTJSMQSQGR-QRFQSNJMSA-N 442.472 0.492 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832531478 SJIGDEVYURELST-IERDGZPVSA-N 437.562 0.906 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833145913 BYDFATBUBYNZFH-OAHLLOKOSA-N 426.583 0.788 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(OCF)cn4)CCO3)C2)c1 1833572231 GIPQXFHYDCWTOF-HXUWFJFHSA-N 444.423 0.366 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762120 KYZCOHMTIXOQIO-IBGZPJMESA-N 445.564 0.925 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680085 DSRHXZBUFMKYFO-UTKZUKDTSA-N 437.541 0.526 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835680114 DGPNTWZGUSKTFN-QFIPXVFZSA-N 432.521 0.869 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835904281 MMNXIYGVYXMJBH-REWPJTCUSA-N 428.533 0.945 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1836867559 BNAJAJWRSMCEBP-QGZVFWFLSA-N 432.521 0.833 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1837396381 BPERJUNCTVMEAC-VGSWGCGISA-N 449.504 0.039 30 20 ICED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccn1 1837442295 VUMNIMZZEDDGJA-BHSRTUAOSA-N 444.536 0.010 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488606 MLQXQXWXZZIHFG-QHCPKHFHSA-N 444.532 0.672 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492148 BKERQTKEWZLQLU-CVDCTZTESA-N 435.565 0.482 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837527502 NSUADQMNAPJXAT-LRHHQANISA-N 446.504 0.610 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1 1837956219 NPICUQCEOGNKAD-IIBYNOLFSA-N 434.493 0.961 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)c1 1838584830 IQOCMYJONHHBRF-DHIUTWEWSA-N 442.516 0.779 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)C(F)(F)F 1838905687 SVXDMWYBEAZDFP-OALUTQOASA-N 441.406 0.942 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)cc1 1838951278 IUOGWRQDFGWLBZ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)s1 1839035541 VBVVKEFIDVBKOC-ORAYPTAESA-N 442.559 0.852 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c(C#N)c1 1839133375 NPFIFOXGJYZTHN-HSZRJFAPSA-N 441.484 0.545 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139545 LEXLFNDHQFTEIY-OAQYLSRUSA-N 441.525 0.560 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228585 ISLBOMAQCYJKEH-TXPKVOOTSA-N 431.555 0.358 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)c4n[nH]cc4c3)CCO2)C1 1839509933 MXDVMCQGAIPBTH-HXOBKFHXSA-N 440.500 0.980 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669436 BAIKEKBLBZGTJE-JTSKRJEESA-N 446.504 0.786 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839887665 FDHHOHXZUFFAGE-HXUWFJFHSA-N 444.523 0.292 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1)C(F)(F)F 1839893231 SDWDNSLLLLNJGL-BEFAXECRSA-N 443.422 0.984 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC=C)CCO2)C1 1840176638 OPMXIOGYEKGPBN-HTAPYJJXSA-N 435.521 0.936 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1840293365 XFWRHAKITRBVGG-QFIPXVFZSA-N 432.521 0.793 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379276 HMLJCMZYYHGKQJ-KRWDZBQOSA-N 427.552 0.272 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)CCC1 1840816256 UKJREQWGUUKCLS-QFIPXVFZSA-N 426.473 0.549 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1ccnn1)C2 1847071086 OFUGCJLNSJLIQM-HZPDHXFCSA-N 430.509 0.959 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)CC1 1847110845 NGJXJYPYKCEXMN-UHFFFAOYSA-N 448.524 0.399 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CCO1 410396712 FALWIWNCCUUSIH-GPMSIDNRSA-N 430.490 0.954 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCS1(=O)=O 427796813 JGZGUGPASGEKOK-UHFFFAOYSA-N 444.517 0.952 30 20 ICED CN(CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1)S(=O)(=O)c1ccc(C#N)cc1 434378075 CKJXUHASQBHEIV-MRXNPFEDSA-N 427.486 0.605 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 435206858 OHJWKKUWMGDDIQ-UHFFFAOYSA-N 443.525 0.617 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 437529525 YCPRHOQQLSVCTF-NXHRZFHOSA-N 444.575 0.866 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cnn(CC)c1 440378820 LMEGBQIGWWFRGK-UHFFFAOYSA-N 436.497 0.999 30 20 ICED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 442914779 VZVCIFHCLJBDFI-UHFFFAOYSA-N 443.445 0.376 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCCN1CCC[C@@H]1CO 460605521 HQGBAVPPKVKHQS-QGZVFWFLSA-N 425.493 0.739 30 20 ICED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C2=O 465134891 YHKJQZVVHPNRKY-ZSDSOXJFSA-N 425.493 0.886 30 20 ICED C=CCOC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 481795095 MGSUQBZVENROBY-LSDHHAIUSA-N 428.511 0.288 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508478003 ONTKIJIFRDBHAT-GOSISDBHSA-N 438.488 0.904 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 508815291 ZFJGMSSNGIXCTB-GJZGRUSLSA-N 425.559 0.657 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CCSC)c1=O 512720483 LYOJCASTLHTSTJ-UHFFFAOYSA-N 449.627 0.568 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCNS(C)(=O)=O 524281207 LXNUOXWFQGUWGH-UHFFFAOYSA-N 437.518 0.326 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 527279872 LXADKOMQQVHYDA-LBPRGKRZSA-N 449.891 0.686 30 20 ICED N#CCSc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215718 IGVSDFYLMIJBJM-UHFFFAOYSA-N 431.518 0.244 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 537170415 SOSUMHBUUJPHNR-SNVBAGLBSA-N 437.341 0.515 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCSC[C@H]2C#N)c1OC 539350459 BNTKWDCAKUXJCQ-CYBMUJFWSA-N 441.531 0.806 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1OC 550969675 GVGFGWWEZYLGGQ-UHFFFAOYSA-N 439.472 0.944 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 553527538 HXYPQGXXKZIHBF-CTNGQTDRSA-N 441.576 0.602 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2=O)cc1 559764088 SYFUATGIUZOKFV-SFHVURJKSA-N 434.456 0.111 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nn1CCC#N 568571017 KPQDJGRTCRBFGV-UHFFFAOYSA-N 447.521 0.999 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC1 573033640 NOLRHRNQTNAKSP-OALUTQOASA-N 433.597 0.402 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 574116641 OYVVKBCJTIHNQY-ZDUSSCGKSA-N 425.424 0.838 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1=O 577763158 IUVWFVNYPKWYNJ-IBGZPJMESA-N 447.580 0.072 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 584866369 SSPVJSNHJCFOKO-AWEZNQCLSA-N 425.507 0.862 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434488 XQHUEELYLJQIHW-UHFFFAOYSA-N 430.442 0.155 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 608967474 REBSNJRYYWHZSR-UHFFFAOYSA-N 429.502 0.704 30 20 ICED CC(C)(CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)NS(C)(=O)=O 611874341 ITVOMHZIXOXZGG-UHFFFAOYSA-N 438.897 0.780 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1=O 685012075 PHNAJXUQACOAOU-INIZCTEOSA-N 442.476 0.430 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2cnccc12 732908704 PMWRPQJNGPBARQ-INIZCTEOSA-N 438.469 0.703 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732911176 ZEGMSMIZHDWWLX-NVXWUHKLSA-N 435.477 0.644 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 740478429 GXJOHVQQYSPHDN-OHTQGHCMSA-N 436.852 0.970 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 742290264 KTMWVKWZHBCREL-UHFFFAOYSA-N 435.289 0.957 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(O)CCN(Cc2ccccc2)C1 743766119 MYMQNXZTFUAZGP-QFIPXVFZSA-N 442.541 0.868 30 20 ICED COCCN(C(=O)COC(=O)c1sccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 748105295 KAJMJRGLZJDJHO-UHFFFAOYSA-N 449.489 0.957 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc3c(s2)CCN(C(C)=O)C3)C1=O 754929231 CGJPLMFQUVGIDV-UHFFFAOYSA-N 433.442 0.355 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755546728 NCTAZLDOVSXQJJ-CZUORRHYSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)c(F)cc2F)c1=O 758052750 RYXVYWSXHLUPMP-LLVKDONJSA-N 435.427 0.614 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)c1C#N 760305898 HCTSBJLTNQXFQG-OAQYLSRUSA-N 439.476 0.848 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 761009257 CTCYNFSBUOWQEM-UHFFFAOYSA-N 441.467 0.785 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NS(=O)(=O)CC(C)(C)C#N)CC2)cc1 764791781 VYYRMJFIAFPUHB-UHFFFAOYSA-N 442.563 0.297 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766051024 HMBQBMLCUGVULF-UHFFFAOYSA-N 447.429 0.012 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O 767637373 NUPVVCSXQTZQMU-XJKSGUPXSA-N 431.474 0.697 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC(C)C)c2=O)cn1 772279478 UYGSFOYUWZBQFY-UHFFFAOYSA-N 440.573 0.530 30 20 ICED C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780215203 QDWGSFPMZHFORO-FZKQIMNGSA-N 431.470 0.530 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NN3CC(=O)N(C)C3=O)c2)c1 785307055 XJIMALAQGHNFAQ-UHFFFAOYSA-N 434.408 0.737 30 20 ICED CS(=O)(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 795876797 UGVDSWFAJVLOJI-UHFFFAOYSA-N 448.457 0.575 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H](C)C(=O)OC 797282879 OFFGGSRJHFXEAH-YPMHNXCESA-N 445.519 0.291 30 20 ICED Cc1nccnc1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815855160 HLUFWMNOSKBBTR-XIEYBQDHSA-N 444.517 0.895 30 20 ICED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@H]1CCCN(O)C1=O 816756222 SKIHUIOFWKEXGW-KRWDZBQOSA-N 435.506 0.566 30 20 ICED O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 918130271 ONJRZOYNUBJYBV-AWEZNQCLSA-N 427.486 0.997 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1116388363 IPFHHZLNCHRUMQ-UHFFFAOYSA-N 428.539 0.485 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1303476916 WPEGUARJYFFFAN-IBGZPJMESA-N 437.570 0.858 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CS(C)(=O)=O)C1=O 1318560545 BEXLUUGJBCZLFS-GWCFXTLKSA-N 426.520 0.286 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1508375766 LPWDMDSJBJLQRB-LYLBAIIYSA-N 440.504 0.698 30 20 ICED 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IGRALATXDNDSNP-SFHVURJKSA-N 437.294 0.349 30 20 ICED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835892092 WYVFIYQLRCJAEO-HSZRJFAPSA-N 444.532 0.782 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000100 XBCPIONHNWXVRC-IBGZPJMESA-N 425.432 0.516 30 20 ICED CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCO1 1836272710 PZQONVIOSBUQRF-RRPYSREYSA-N 437.493 0.666 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837397117 QUXBPLNFIYLPJC-AUSIDOKSSA-N 442.516 0.977 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cnn1C 1837440863 CCINECUXQZNRJL-GWJNGDFSSA-N 432.525 0.270 30 20 ICED CO/C=C(\C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528700 NGMQFFSBMFIGRY-GLHNXZBASA-N 425.482 0.522 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1837731644 FMNYLKNMCPPXED-KNKQGSTJSA-N 437.537 0.362 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1838419689 IHKXKJMVPHGLFR-UHFFFAOYSA-N 428.445 0.107 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)C(F)(F)F 1838905689 SVXDMWYBEAZDFP-RTBURBONSA-N 441.406 0.942 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ncccn5)C4)C3)c2c1 1839487366 DMWLXLOOAHLSOW-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(F)(F)F 1839892830 HXGNFSNXHMAZMO-OAHLLOKOSA-N 433.343 0.506 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1840018388 IWIJBMNGDUELMH-VSDWSMLSSA-N 447.532 0.723 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161150 GBYAYPAOAJSNOR-KBXCAEBGSA-N 428.580 0.726 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840161520 RWUWFKDWPYQLFP-XCLFUZPHSA-N 435.502 0.406 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1840758936 IFBVYXYZHDGEGQ-DJJJIMSYSA-N 439.490 0.992 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(C(=O)OC)cc1)CCO2 1840958857 FRYUEDISQRCTFN-HSZRJFAPSA-N 444.484 0.722 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 109261836 SYRAERLLKHJDOI-UHFFFAOYSA-N 427.530 0.675 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 427687326 VHUJALKCXPZKRE-NXEZZACHSA-N 426.376 0.671 30 20 ICED CS(=O)(=O)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOCC1 431856569 WBDQQPGUOLDUEZ-UHFFFAOYSA-N 431.518 0.969 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 434435257 RRVNFIUGSZRPNY-BBRMVZONSA-N 428.536 0.154 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@@H]1CCOC1 441943894 VLKXRPVAXNWMRI-HNNXBMFYSA-N 440.525 0.545 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 446055317 RWQOCDAGLLLHKG-LSDHHAIUSA-N 444.521 0.838 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)c1C#N 461194944 JZVPNJFHBQTOBP-UHFFFAOYSA-N 433.515 0.545 30 20 ICED C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(S(N)(=O)=O)c1 464824345 VGIMGKICCNYFSA-KBPBESRZSA-N 429.506 0.977 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)c1C#N 472871317 FMKVWIUGNFDHRO-UHFFFAOYSA-N 442.501 0.217 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1 480469140 PGOQUXIJTDIXKZ-HNNXBMFYSA-N 429.502 0.773 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480927554 ADBVHYHBOCXDNH-CQSZACIVSA-N 443.510 0.201 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)cs1 480941790 ZTAIJAWKCIYTSY-UHFFFAOYSA-N 429.527 0.986 30 20 ICED NS(=O)(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 494343874 BLGZZNPTNWQZGL-UHFFFAOYSA-N 440.525 0.458 30 20 ICED CN(CC(C)(C)C#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 497292161 GRJYBAGPEPKAJT-CQSZACIVSA-N 438.506 0.378 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 502148930 FWGNJDPFKYTLLR-UHFFFAOYSA-N 444.513 0.962 30 20 ICED N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 506536585 YMPLOUPSCDDTDA-UHFFFAOYSA-N 431.468 0.541 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 507470371 UOJJBQNFZCCROL-UHFFFAOYSA-N 447.517 0.555 30 20 ICED CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C2)C1=O 507800081 YEKBWGCXHCSRNM-QGZVFWFLSA-N 439.350 0.591 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 509405053 YWWGDAQKOSYHEK-CYBMUJFWSA-N 443.551 0.463 30 20 ICED C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCS(=O)(=O)CC1 510826017 MMEIWFBPYODDOF-CQSZACIVSA-N 436.509 0.675 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)OCC)CC1 513254014 GXZRWXZPSGYZRU-UHFFFAOYSA-N 438.431 0.526 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1 520335505 AJCWRGYZYTZENS-UHFFFAOYSA-N 429.498 0.148 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1 520491268 LBGKJCNJENIZIV-UHFFFAOYSA-N 439.453 0.980 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)n1 543918578 FHTKRZOMQRPQDH-UHFFFAOYSA-N 426.824 0.605 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 545465648 XNZNYNZEQFEQDQ-CQSZACIVSA-N 449.407 0.646 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 546002410 HOPJCTORWOTTJA-UHFFFAOYSA-N 446.489 0.208 30 20 ICED N#Cc1ncn(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 552327467 ZJMGSFYLVZNJQD-ZDUSSCGKSA-N 433.450 0.275 30 20 ICED Cc1nsc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 554952483 QHNCJBVEYFVIJE-UHFFFAOYSA-N 448.574 0.452 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 555154960 VJLZKVBEYBABJS-NXNVCVFFSA-N 440.529 0.962 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 557446335 MQVCEPUKEOTAQH-MOPGFXCFSA-N 426.521 0.361 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@@H]2CCOC2)cc1 559241326 LNCDFSPGGIZMPN-KRWDZBQOSA-N 448.491 0.189 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 561472136 ZKBBKIFQPUYXTC-PMACEKPBSA-N 434.581 0.925 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 571809664 VQRNKINBZDTIOB-LBPRGKRZSA-N 426.572 0.951 30 20 ICED Cn1c(=O)c2ccccc2n2c(Cn3cc(CN4CCOCC4)cc(C#N)c3=O)nnc12 579310584 VKPDUCNQXVZXNH-UHFFFAOYSA-N 431.456 0.495 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 580117454 GXHIKJRUCJLBRB-GOSISDBHSA-N 449.467 0.353 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 609739234 LARFSUGMFBHGLS-UHFFFAOYSA-N 428.489 0.227 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 619683337 UFFPODNIABAZKO-GFCCVEGCSA-N 434.396 0.936 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2F)c1=O 684535267 MMBGMUIFKIWWGG-OAHLLOKOSA-N 443.500 0.636 30 20 ICED CC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 729537730 KGDCCYGYYKGWQJ-HNNXBMFYSA-N 436.515 0.640 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144332 JMKDTBICCDSTGZ-RHJRNASOSA-N 432.594 0.696 30 20 ICED CC(=O)NCCNC(=O)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 731895115 KPKPUZLHYFXUEB-HAVVHWLPSA-N 437.522 0.470 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)n1 738853849 CMVSBWQXIJMBHR-LLVKDONJSA-N 427.442 0.739 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 745813694 PTGKRXSSJIVQBO-DNTCVELPSA-N 427.461 0.492 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758644401 ZXTXRMDVKMXMRD-WFASDCNBSA-N 444.535 0.632 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 761038778 YUWBIHTYVKMMKB-ZDUSSCGKSA-N 434.440 0.997 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2OC2CCCC2)CC1 761039718 ZCUAXZWTACDLOA-UHFFFAOYSA-N 434.562 0.709 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)C1=O 768018657 ZMLMUGPPQCFMMJ-UHFFFAOYSA-N 440.416 0.547 30 20 ICED C[C@H](CC(=O)N1CCCC[C@H]1CS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 769577174 CEQUYSOZZGHPQE-OLZOCXBDSA-N 428.536 0.173 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CCCO1 773801920 YHTMZVJWYIVBPJ-WIYYLYMNSA-N 442.516 0.595 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 776596071 WVNWCLQOCXHYSD-UHFFFAOYSA-N 444.601 0.649 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1 777427942 MMRZDKJVRMALET-VHEBQXMUSA-N 434.474 0.101 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 783305206 UFCGBISQIPHPKO-UHFFFAOYSA-N 426.514 0.484 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 784887461 UPMSZPCZROBNDL-UHFFFAOYSA-N 438.325 0.797 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 789123175 LJLIJIJOSLFDTE-UHFFFAOYSA-N 425.445 0.602 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)cc1 790225716 UDMGKQXTSJXRRY-LJQANCHMSA-N 425.470 0.979 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790437520 IWMSWGHVSNOAGT-UHFFFAOYSA-N 443.554 0.740 30 20 ICED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 794593296 BBJBNBQTDHIZCA-LBPRGKRZSA-N 444.425 0.762 30 20 ICED COCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795187610 QMHDCBLOJZUYSG-UHFFFAOYSA-N 437.525 0.764 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC1(C#N)CC1 797780090 HEGAEHKDIAGLRE-NYUWMOHMSA-N 425.532 0.800 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(S(N)(=O)=O)cc2)CC1 811644413 YSOQLFCSBSYCHT-UHFFFAOYSA-N 438.535 0.111 30 20 ICED COC[C@@H](C)[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812622412 HBKXZZSPEHZUIP-HZPDHXFCSA-N 437.518 0.853 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)c1 916422648 GWFCAQKNXWXWSI-OAHLLOKOSA-N 445.453 0.336 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301052474 ZIIWIGHWTNOTJT-ZDUSSCGKSA-N 433.904 0.685 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552889101 AZMXNQRYUYIQHD-GOSISDBHSA-N 444.565 0.332 30 20 ICED COCCN1C[C@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 1555571883 ODTPEAMMKNAWID-QGZVFWFLSA-N 441.540 0.322 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccncc2)C1 1555813783 SFBDYUMPEIYNIN-GOSISDBHSA-N 445.549 0.989 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1636270701 MKUACCUCWCIYHY-HNNXBMFYSA-N 429.502 0.394 30 20 ICED COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1653013890 SGYSGTXRHVTLGQ-IBGZPJMESA-N 449.467 0.907 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)CC1 1659467857 UQVUKVMRFYCMTG-FQEVSTJZSA-N 449.552 0.644 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)c1ccccc1 1692802019 OBFLZOAQIMUHCK-RDJZCZTQSA-N 433.538 0.753 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1711407073 PRDROROLGJNBMJ-UHFFFAOYSA-N 441.492 0.160 30 20 ICED CCCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1728229124 XIGOEJVZQCKSAI-GDBMZVCRSA-N 449.537 0.849 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1743255595 UIJMSJIEETUQJY-VBKZILBWSA-N 444.517 0.033 30 20 ICED CC[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766751407 OSQINROMWKMSHS-RKXCMPKHSA-N 446.581 0.791 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1766757986 AFPDMEZWHBRIOS-MYGHRHJXSA-N 446.533 0.449 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779102719 IPGDQEMYDCIGHZ-RETMYHCQSA-N 431.493 0.802 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779428552 OEUSIDFQZGMSAD-ZAUGKFGOSA-N 448.524 0.711 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295042 HCSRCHLEEJKBTP-OAQYLSRUSA-N 449.504 0.976 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1782198395 QJAJPCIZGNBMJW-JOCHJYFZSA-N 433.472 0.854 30 20 ICED CN(C)[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1783566268 SCVZOVMKALGKEP-PZJWPPBQSA-N 433.892 0.861 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1783897357 RKGLZFPOFARGGV-KPZWWZAWSA-N 430.523 0.991 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784382275 PWSGHCFTFMCHHW-OKYOBFRVSA-N 449.548 0.655 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1785377463 INLSSCZTDZCTCE-VGSWGCGISA-N 426.473 0.293 30 20 ICED C#CCCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1785421763 YLMBURKMPWWVBZ-XMMPIXPASA-N 437.496 0.845 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(O)nn1 1785845318 ADMHHZFOSHPUNC-ZABXYJNLSA-N 433.465 0.305 30 20 ICED CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786376386 XQFPSSXLYYUCHP-NPVSHWEQSA-N 437.493 0.614 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](N)c3cccnc3)[C@H]2C1 1786926731 ASIVJYSOLRDTCJ-MUGJNUQGSA-N 442.564 0.733 30 20 ICED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)CC1 1788660638 CLDHIQGJGSGQEG-RHLPKBAISA-N 437.493 0.448 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(CO)on1 1789377534 DHXYEAJGVYQYBB-ZNGGQQJQSA-N 436.465 0.289 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)cc1 1789575138 VIKAWJLCCPBWDL-JYJNAYRXSA-N 438.406 0.830 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789935084 BROLWDHHPUJGGH-VJANTYMQSA-N 449.548 0.655 30 20 ICED 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 1791797018 DRXPMULKNCZAGL-WNHJNPCNSA-N 448.564 0.444 30 20 ICED C#CC(=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 1792450250 BBPVSVCHOHCGDI-BIWGCHKCSA-N 435.521 0.217 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nnc(Br)n2c1 1795925712 JHWWPDXXFDVDIZ-JJLQDPRZSA-N 433.266 0.609 30 20 ICED 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[C@@H]3CCC(=O)N3C1)C2 1797713973 FECJQRHBMUAOET-LAIFEGOXSA-N 433.549 0.550 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797784183 NTFXTWVRJWWCIS-DGHIZORRSA-N 430.549 0.746 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)cc(C(F)(F)F)c1 1799784942 WQOQUERWYAUQJC-XRGAULLZSA-N 425.411 0.066 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)N1C[C@H]2C[C@H]2C1 1799884286 QGNYMOPTRAXEAX-OFHCRSGKSA-N 448.527 0.978 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800247534 REMQIFZNRXAQQY-YVSFHVDLSA-N 430.509 0.833 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1C#N 1800778606 JHPHNAJINDCEAU-UPHUGPLXSA-N 425.441 0.637 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1803450119 BZQDZQOXBQPQNG-KNQAVFIVSA-N 444.557 0.926 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806821606 OIRPNIQAZKTOFL-SQGPQFPESA-N 428.489 0.875 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810220765 UJXRSTOHTDZAPV-MAUKXSAKSA-N 425.493 0.245 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810251906 AQUHVRTWXBUEBM-BBTUJRGHSA-N 439.516 0.917 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810333728 OLMATIMBGJAZDR-FBBABVLZSA-N 426.517 0.921 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813047353 NBMAQQYXERHINZ-KXBFYZLASA-N 434.460 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCOCC3)sc2C1 1814632264 GJVPHXCKTQFNPA-YVACAVLKSA-N 447.561 0.636 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)[nH]n1 1815198731 ZZCSCRPAPOBOQG-XWIAVFTESA-N 448.476 0.935 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817318808 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N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CNC(=O)c4cccnc4)CC3)CC2)CC1 1833771092 TXWSPIAIFROKKQ-UHFFFAOYSA-N 438.532 0.687 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006371 LSFFUGIDHCBSPS-CRESJJQNSA-N 432.477 0.681 30 20 ICED N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccccn1 1835099006 WHJYWRWXGDHIEX-VWNXMTODSA-N 434.496 0.590 30 20 ICED NC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cc1 1835101549 FTHMMZJMEQXYEE-VWLOTQADSA-N 447.491 0.907 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835115074 UHOHUWPVMAXIMF-SLEUVZQESA-N 441.623 0.679 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835365713 SEZHJHNFHJQFSB-JTSKRJEESA-N 448.520 0.663 30 20 ICED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1835512284 AKAUCKRFWJPNBL-UHFFFAOYSA-N 444.580 0.026 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673992 CNJWPQONQMDJAB-JOCHJYFZSA-N 446.552 0.563 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835681272 WAHYHRUDBZGGLL-JOCHJYFZSA-N 446.504 0.450 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836893564 AOQXTMCDYOPUDV-KKSFZXQISA-N 444.492 0.600 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836990873 MVRCCPFKSFCQRP-OAQYLSRUSA-N 428.445 0.391 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193492 NYIRLVFQFPMHQT-XLIONFOSSA-N 433.534 0.982 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1837401361 YOYXPKNDHPNSOP-XMSQKQJNSA-N 434.537 0.599 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837493602 MJMGCAZDLDVORG-ZSHKSDETSA-N 448.560 0.693 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1837533578 WCWNABSYNOWKET-ZIWHIJKOSA-N 447.891 0.896 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837562440 KRJGPXHIEHAFJU-ZJHLSYPMSA-N 444.444 0.275 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837670389 FESWRKJEZSLQFW-AVRDEDQJSA-N 439.553 0.730 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838762527 IWTXWGVCFNLLPR-YVEFUNNKSA-N 447.414 0.485 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(C)C)n1)CCO2 1838780900 SPJRTQAOUZBHQN-QJKPHDSHSA-N 445.520 0.392 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950514 ZDFMUZSZBQJZIA-QHCPKHFHSA-N 439.516 0.910 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951289 JANJGJUQXKGGKG-IIMAJNMQSA-N 433.530 0.787 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)cc1 1838951333 KWUQJSLSWQYHQZ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839174027 AYNKXFMBBNVJHT-OAQYLSRUSA-N 448.476 0.065 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)ccc1F 1839186129 AYRFJOVBIYSUQZ-NRFANRHFSA-N 443.435 0.439 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361304 BMBPVBTXHVZLPT-NRFANRHFSA-N 449.529 0.257 30 20 ICED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487926 MFHUJKWRXGEMCZ-SPLOXXLWSA-N 426.477 0.099 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623011 IQPFBKGPUFBUTQ-QVKFZJNVSA-N 447.467 0.530 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1840018389 IWIJBMNGDUELMH-ZQMYSKGWSA-N 447.532 0.723 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1840441563 ANLVCIYKVZBBNQ-ORHXZUFZSA-N 432.525 0.372 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cccn1 1840441984 NJALWWPFJMHNKG-DNPICXIKSA-N 429.477 0.613 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840795678 WIEJWHMRDNZQNR-HTAPYJJXSA-N 435.521 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841601935 JQNFWRZYYPNAHM-IKGGRYGDSA-N 435.521 0.456 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844159563 KOQVDNUULLVJNI-MRXNPFEDSA-N 426.433 0.316 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1 1846196694 DFHDHUXFDAGOJV-UHFFFAOYSA-N 427.457 0.383 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1846414314 ZRKDQYZPVPRUHX-UGKGYDQZSA-N 441.528 0.743 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cccnc2C#N)CC1 428253842 SPBRAPKYDLVCBF-UHFFFAOYSA-N 432.487 0.305 30 20 ICED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 439203812 IVIPMMRYKSSSIJ-IBGZPJMESA-N 438.536 0.952 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCOC1 441941854 MOBPCHOWRRBKJT-ZDUSSCGKSA-N 431.539 0.822 30 20 ICED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)nn1 443325281 ZZBOOXOSCBXOHA-UHFFFAOYSA-N 438.322 0.857 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c1 443475365 NHDXBUZUNQYQLZ-UHFFFAOYSA-N 449.308 0.707 30 20 ICED CCOC1CC(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)(N2CCOCC2)C1 444164614 DRFXBFARSCRUIC-UHFFFAOYSA-N 445.568 0.702 30 20 ICED Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@H]2CO)cn1 447327975 WRXODUZBVWOXDN-HOTGVXAUSA-N 437.435 0.790 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)C(C)C)CC2)cc1 468140812 VFUOTTGDKLUJLY-SFHVURJKSA-N 436.534 0.973 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(=O)OC)[C@H](C)O)nnc12 474605708 JSYCMJLGDIRUFI-NHYWBVRUSA-N 431.474 0.361 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478758830 WEWFDHQJSGKQTI-HNNXBMFYSA-N 430.530 0.569 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCOC2)c1=O 478861490 VORPAWVWCOEXNS-INIZCTEOSA-N 441.557 0.849 30 20 ICED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H]1CCCN(CC#N)C1 479873044 NOBRGAJMBRIUQV-JKSUJKDBSA-N 436.534 0.866 30 20 ICED CN(Cc1ccccc1S(N)(=O)=O)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 486194399 JXZOTUKJTLXXEM-UHFFFAOYSA-N 436.515 0.485 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)nc1 488950100 JNFFMNJVYDXHHE-HNNXBMFYSA-N 425.536 0.495 30 20 ICED C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(C(=O)CC#N)CC1 503626959 IAJBBPDOSCSHMT-LBPRGKRZSA-N 432.424 0.957 30 20 ICED Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 505671162 VGARYBXQURSLIL-MRXNPFEDSA-N 446.467 0.738 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H](C(=O)OC)C1 509380519 OSFFKNWKFQLUJB-HUUCEWRRSA-N 437.474 0.364 30 20 ICED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 511025893 FLEXQKBSMJRNNR-UHFFFAOYSA-N 434.460 0.865 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)CC1 512467233 AXFGWGWOEPUUOG-BHIFYINESA-N 446.640 0.801 30 20 ICED N#Cc1cccc(OCCCCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 520334829 WTUUAQWUNKNTLD-UHFFFAOYSA-N 428.489 0.637 30 20 ICED COc1cccc(CC(=O)N2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)c1 533321913 POSGVCGBOFNTPB-UHFFFAOYSA-N 438.488 0.966 30 20 ICED COC(=O)[C@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533441558 KWDPVMATLLHIKY-GDBMZVCRSA-N 443.460 0.717 30 20 ICED C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 534213426 MPYWHFMIACILBC-MRXNPFEDSA-N 443.547 0.915 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)n1 540282459 XCLDOJZGTUHFND-UHFFFAOYSA-N 425.497 0.393 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1 550113463 MCCSPDDFSWMRSH-UHFFFAOYSA-N 440.447 0.359 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 553830767 UHTXBBAILGKFCY-UHFFFAOYSA-N 445.383 0.989 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)C1=O 559488338 OJNPMPJXALEAOD-VQTJNVASSA-N 428.533 0.730 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 559723097 NNSUOTSUVFEUSA-UHFFFAOYSA-N 435.550 0.685 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 567003852 RUASKMKYOSJBPC-LBPRGKRZSA-N 435.366 0.747 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 573170437 ZRSVJDAJXCYAIT-UHFFFAOYSA-N 441.557 0.900 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)c4ncccc4c3)c(=O)n2C)CC1 577319908 ASNZTATXOAMIPH-UHFFFAOYSA-N 447.564 0.971 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 727008783 UTLPANIAQVFDKI-UHFFFAOYSA-N 442.453 0.068 30 20 ICED CCN(CCC#N)C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221891 NGRROHWPZZSOBA-UHFFFAOYSA-N 425.243 0.198 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(CC(F)(F)F)C1=O 732560710 SEQZKDLJTZNJQU-GFCCVEGCSA-N 432.424 0.785 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 734225618 LMLDWROKKDMMBC-VKQKCINQSA-N 449.533 0.563 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 735861197 YCIIIPULITVENF-AWEZNQCLSA-N 446.938 0.878 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 743725726 XWLCMADRBKTWMJ-UHFFFAOYSA-N 444.513 0.455 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC[C@H]2CCOC2)CC1 751709659 NZPBPFIGASXOAD-INIZCTEOSA-N 435.502 0.751 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753361317 ZSYNZHJUUHYQOJ-UHFFFAOYSA-N 426.498 0.772 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 754935596 BLQLDMTYVAXRPC-UHFFFAOYSA-N 445.501 0.808 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 755546703 MZBWMVPVVKKEOW-YPMHNXCESA-N 429.433 0.945 30 20 ICED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1=NS(=O)(=O)c2ccccc21 757591504 UHHGYSBSGWOZPR-ZFWWWQNUSA-N 447.517 0.943 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnc(Cl)c(C)c3)c2=O)cn1 760375327 LGTDREAEYSTGMN-UHFFFAOYSA-N 428.905 0.721 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC 783348036 RFBSJPJJSHKPQW-UHFFFAOYSA-N 433.280 0.891 30 20 ICED CCOC(=O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 783932297 YRIYLHYGXJYHQC-PGMHBOJBSA-N 438.506 0.850 30 20 ICED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 784007381 FTYDOVCDQFDOLH-UIFJYSFJSA-N 449.533 0.565 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CCn2cnccc2=O)cc1Br 797265067 GZDMTTBARIALBO-UHFFFAOYSA-N 429.227 0.912 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 800683194 XQRDSBRAUGMPFH-UHFFFAOYSA-N 434.539 0.985 30 20 ICED CON(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CCOCC1 801606649 RXEAIXINAWKTGD-UHFFFAOYSA-N 436.534 0.681 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2C)no1 803560902 IJZQUZVBENUOTC-JTQLQIEISA-N 444.477 0.782 30 20 ICED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 807823150 GLLCYFWXNXFEPI-MRXNPFEDSA-N 442.520 0.975 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)n1 808033075 GJPJWCZYTALRMZ-IRXDYDNUSA-N 433.509 0.474 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@H]1CCCO1 809311047 SSFSQEWUIZBVGX-ZWKOTPCHSA-N 445.516 0.654 30 20 ICED CCCCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916874409 FBLMHJQNEUKUGD-QGZVFWFLSA-N 434.518 0.826 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1 918432174 WWPNIJOXUURBGU-RYPAHKROSA-N 449.533 0.552 30 20 ICED N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CCN1C1CC1 1151626069 ZRTNUWOIFSIYNN-MRXNPFEDSA-N 438.575 0.953 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C1 1302468628 JTYLPCKAUZMUDC-MRXNPFEDSA-N 435.554 0.536 30 20 ICED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1463631910 YQBNRWODASRFEI-INIZCTEOSA-N 434.971 0.743 30 20 ICED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(CCC#N)CCN1CCOCC1 1466041387 INQLTUMCAJDMFP-QGZVFWFLSA-N 438.554 0.939 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1554528016 KXQKTEYDPUOEDN-UZLBHIALSA-N 445.501 0.366 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CC1 1559897579 RPDVOSSLUYUNBJ-LZLYRXPVSA-N 438.575 0.345 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1561229823 JCWORAKQIRUPGI-UHFFFAOYSA-N 443.323 0.680 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1696090735 NNXAQVCXWHGZSV-XMSQKQJNSA-N 447.584 0.685 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1698304441 TWTNMYDXNLTECH-MRXNPFEDSA-N 430.490 0.892 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1698483894 LLIHLXBELMKCNV-MOPGFXCFSA-N 437.472 1.000 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1731010599 PXBOIAMVOCFJPG-KRWDZBQOSA-N 449.581 0.926 30 20 ICED CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1741093863 QYBLLDXUZDXZEI-QGZVFWFLSA-N 445.549 0.718 30 20 ICED COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1749604847 WAXPIRHBUMENSU-QFIPXVFZSA-N 442.520 0.899 30 20 ICED CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1766254486 TUZIMHXTSREVNB-KRWDZBQOSA-N 436.520 0.954 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1777899711 XPXGUSNHBJIYLP-QFIPXVFZSA-N 439.520 0.763 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779533304 BMOYOMCBJVQKNG-YEOABVOBSA-N 433.553 0.663 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5cccc(C#N)c5)C4)C3)CC2)CC1 1780598741 CYNMKPUYPPVIJE-QHCPKHFHSA-N 437.544 0.782 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781271536 DEDZXSBLINEYTB-KRWDZBQOSA-N 435.399 0.004 30 20 ICED CC#C[C@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)c1ccc(O)cc1 1782258656 CNTZOZORSJQJCU-LOCCHRAXSA-N 442.560 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782334112 BZGJHJXYSGNYTA-UZQCKINESA-N 435.484 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C[C@@H]21 1783528265 KJNLSRWCDCDCMO-GYMRMKKLSA-N 432.565 0.556 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784375440 ZVEXPAVYEUACAZ-BZSNNMDCSA-N 437.537 0.782 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1785429196 ALPXTEDSRKLQGB-HSZRJFAPSA-N 448.564 0.782 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788572327 AMAYABNLILHERH-LAQRGFTBSA-N 433.505 0.562 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788614581 OXJLCKBSXRLOHK-VGWMRTNUSA-N 426.583 0.023 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638880 POPYGYQREUSYPB-VJANTYMQSA-N 431.533 0.355 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C)nc3O)[C@H]2C1 1789307659 MMFZZDMAEOAIMZ-DOCOLBGOSA-N 428.489 0.547 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1789928032 HOFBOSLWXCLVOW-QAETUUGQSA-N 438.525 0.546 30 20 ICED 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30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835877802 KNUDDSBQEQANSG-LJQANCHMSA-N 430.490 0.647 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988230 JJLINSSNTRFDPA-DYESRHJHSA-N 435.525 0.610 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837441094 RFDUETQFQZORPY-DHNIJCFSSA-N 430.505 0.934 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837560117 PDBKHYPMZGGRCS-IQTGRTGDSA-N 429.477 0.360 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837564187 BPTQHYLHFJRDQL-IQTGRTGDSA-N 428.445 0.569 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1ccccc1=O 1837690762 VRIWUCHQFHCLLJ-HTAPYJJXSA-N 428.489 0.560 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837792915 NXOXUBOQSUGGMP-KRWDZBQOSA-N 425.467 0.307 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838952156 DZLQKIVMTMOCNI-RHVSLNNASA-N 431.464 0.754 30 20 ICED 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447.919 0.673 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840162945 LHPRQZMMGJNTND-KSVNGYGVSA-N 425.551 0.162 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840242361 QKWVMASKXVCRSC-XVBVZHLFSA-N 429.876 0.226 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1sc3nccnc3c1N)C2 1841054345 ONVMXKVNHFSQHP-PLNGDYQASA-N 426.502 0.949 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842837453 VKHOWXIFRANZFP-MRXNPFEDSA-N 434.537 0.975 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1847069723 QMWYPDYBUCCGHE-CQSZACIVSA-N 445.524 0.440 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 16733325 UYNQRAUDIGWURB-UHFFFAOYSA-N 434.499 0.352 30 20 ICED N#Cc1ccnc(N2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 25941419 WVZHMULIQQIDHG-UHFFFAOYSA-N 442.545 0.472 30 20 ICED C[C@@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)cc2NC1=O 410137774 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YBTAYDFQWYNIFJ-UHFFFAOYSA-N 430.505 0.573 30 20 ICED C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519791929 JLVQNNOVZXAZQD-ROUUACIJSA-N 433.578 0.854 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCN(C)c1ccccc1 522541308 CXSDUJJQTATNIB-UHFFFAOYSA-N 436.541 0.419 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)C1=O 522979956 HEBPXELJXSHYNO-UHFFFAOYSA-N 437.474 0.294 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n(CCC#N)n1 532597065 ZARORGAMPVWIOM-QGZVFWFLSA-N 429.525 0.589 30 20 ICED Cc1c([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 542584464 JMPNPEPNSROOFT-OAHLLOKOSA-N 430.534 0.784 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 553609415 IQENZTNAUHKDDO-UHFFFAOYSA-N 443.596 0.652 30 20 ICED COc1ccccc1OCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555653533 PNFPIRNKQWXQGA-SFHVURJKSA-N 436.468 0.979 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)CC1 557730948 MOXOCQRGGKOSLE-KRWDZBQOSA-N 432.525 0.348 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 562776146 LBMJMXFHHXBGHZ-LJQANCHMSA-N 428.537 0.465 30 20 ICED N#Cc1cc([N+](=O)[O-])c(N2CCC(NCCO)CC2)cc1N1CCC(NCCO)CC1 568820839 JIAFRFWUALSYEZ-UHFFFAOYSA-N 432.525 0.568 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 573394618 LWCHGHQOADLXAP-UHFFFAOYSA-N 431.514 0.521 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)c(F)c1 577009831 GEZNXEJFLMHDFF-QGZVFWFLSA-N 438.463 0.724 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 584381059 GFVKKHBKAPPYED-UHFFFAOYSA-N 448.526 0.676 30 20 ICED COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603938924 LCGQBHFLZBYZGL-SFHVURJKSA-N 448.545 0.809 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCO3)c1=O 603987095 COARFEGFGRDDQA-UHFFFAOYSA-N 429.498 0.704 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2F)c1=O 604505909 CPZUWLLUODFOMK-UHFFFAOYSA-N 447.463 0.923 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 610290363 ZCGLWZWFKNPBMW-MUIFIZLQSA-N 425.445 0.235 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 612267508 AVIOZCNNTLAOJP-XMSQKQJNSA-N 426.473 0.792 30 20 ICED Cc1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 615974488 WGQRJZBHABCQLC-HNNXBMFYSA-N 446.537 0.819 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 725831719 UVOBEAOQVIUGFG-CQSZACIVSA-N 437.522 0.995 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1 730565194 SSQHKDZHLMEKML-UHFFFAOYSA-N 445.541 0.609 30 20 ICED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 731888539 VQLQKMGNKNOPSN-APOCOGJHSA-N 425.445 0.405 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732798062 WYEKXDJONMUFAH-UHFFFAOYSA-N 429.546 0.894 30 20 ICED CCn1c(SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnc1-c1ccco1 732911156 YXRJVKBJNQFHJN-GFCCVEGCSA-N 437.503 0.616 30 20 ICED C#CCCN1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 744371267 PGZREXCNSFWWQD-UHFFFAOYSA-N 435.546 0.426 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cc1 746788554 FURFAAVOQWNGPX-BXDHAIISSA-N 435.506 0.223 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 749667761 XOOWNTRAJMQFCL-KRWDZBQOSA-N 429.521 0.297 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760376570 BCBZONXVQNNSMY-UHFFFAOYSA-N 448.932 0.275 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)c1 760395422 VBGDCYPBESKXCX-MLIMZQRQSA-N 432.449 0.570 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 761036053 ASQBMNJLBQHNJH-HNNXBMFYSA-N 435.575 0.728 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 767633474 CASFKWRYSVEPPA-GFCCVEGCSA-N 434.430 0.387 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 771896577 CVRVSAVZZYWRJR-UHFFFAOYSA-N 446.441 0.745 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C1CC1 782694339 XSUYKMJFAAPLHV-UHFFFAOYSA-N 436.335 0.768 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 794733924 HNYULQGQFYHPDV-LSDHHAIUSA-N 431.474 0.098 30 20 ICED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805091802 QGMIQLAXVWFFQV-UHFFFAOYSA-N 435.531 0.762 30 20 ICED Cn1c(=O)c2c(ncn2CCOC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n(C)c1=O 805590072 ACIXNSCKULWFES-AWEZNQCLSA-N 440.435 0.514 30 20 ICED O=C(NO)c1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 807949512 HNMWAZPDNGKTLQ-GOSISDBHSA-N 437.456 0.972 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 914696019 OSFUDNNGESYFMF-UHFFFAOYSA-N 439.519 0.586 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(O)cc2)CC1 914859623 QTEUBUDDWDTBHO-UHFFFAOYSA-N 428.470 0.415 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(CNC(N)=O)cc3)cc2C1=O 920267116 PBYFGQHKYOVMNK-UHFFFAOYSA-N 442.453 0.756 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOC2=O)cc1 1302992255 UWQUAMHKGXSVIS-UHFFFAOYSA-N 430.490 0.894 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1316529945 ILEYIZSOTXHVJH-MRXNPFEDSA-N 429.506 0.164 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCOC1 1320026414 GICQOTOOHARAGN-HNNXBMFYSA-N 427.530 0.529 30 20 ICED COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1504592220 YXTPWTQHQWZLHE-IRXDYDNUSA-N 440.508 0.484 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1509977685 YUDLELZKDCEVFC-VFNWGFHPSA-N 427.509 0.495 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)CCCO1 1510217308 IBLXDEQPKANXMA-ZSZQSSIHSA-N 437.570 0.634 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1513979382 LGSVUHGVGNXECO-KRWDZBQOSA-N 446.533 0.878 30 20 ICED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cnn1C 1692943605 IVRUUGLVQQGJBW-BBRMVZONSA-N 436.542 0.440 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1698490346 SOZBZVMOWXFGIF-ZWKOTPCHSA-N 436.582 0.767 30 20 ICED CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706255976 QCZVMOPNUHAYLA-ROUUACIJSA-N 431.541 0.600 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1706832373 MOBPMRJJFJWNMW-MGPUTAFESA-N 432.550 0.753 30 20 ICED CS(=O)(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1712686561 WZYPTZZURKXXTF-INIZCTEOSA-N 444.517 0.581 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCOC1=O 1723617359 MQTOINQQJRBQCG-INIZCTEOSA-N 430.513 0.435 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCC1 1723951693 BWRCWHFSVRRMKR-NVXWUHKLSA-N 436.586 0.161 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740745624 ZQHZOJDNJVDXLL-IAQYHMDHSA-N 432.344 0.791 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1741804262 YZFJGDWZUJYAHU-CKEIUWERSA-N 444.583 0.217 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1779051907 SCJPQQIGQAXQBK-VGOFRKELSA-N 441.440 0.233 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779103791 AVRIMOVFBYUWJJ-XNTMEURJSA-N 433.509 0.712 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139670 ZFHSFNWKZFHHKV-UGNHDKBSSA-N 426.477 0.819 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779217990 ADSGWFACAYEBKB-HMPSOVEVSA-N 434.497 0.273 30 20 ICED COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420998 CNPFKHOBFZYMNO-AYDXZRBJSA-N 439.509 0.983 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1ccnn1 1779429060 TXZYWAVQDWSAIO-SBVLVFQFSA-N 448.524 0.882 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(N)=O)C3)c(C#N)c1 1780688251 LKKNZRGXUMGIBL-AUSIDOKSSA-N 442.516 0.889 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1782469529 WKAHUDAHLOOELM-QIYDDFJZSA-N 437.566 0.289 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1783160122 YVQUESIEVMRTQG-JPYJTQIMSA-N 427.501 0.985 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783455683 MMQWPUPDYBWRTB-HXUWFJFHSA-N 432.477 0.215 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1783564839 AVOCDKNBVSFTAW-QFIPXVFZSA-N 426.473 0.216 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C\C(=O)NC4CC4)C[C@@H]32)cc1 1783605014 CINLEYHYVJVKMN-VMCVYSOCSA-N 436.512 0.915 30 20 ICED CN1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784119971 OLCUPERPJWLSTL-AWLOKGQFSA-N 436.553 0.979 30 20 ICED C=CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1785308685 MWCRAMUGSZGLDM-ZHRRBRCNSA-N 449.504 0.764 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c1 1786724853 CJNXEWJIKLNLDH-JBACZVJFSA-N 426.517 0.792 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652417 FPAZEOOJZDISJF-SFBLKUJSSA-N 448.520 0.354 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)CC1 1788678317 YWTPHFOSCBNQNU-AYSOLLAVSA-N 445.564 0.316 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1789892488 WNNPMDNOMHHATK-BQFCYCMXSA-N 441.488 0.832 30 20 ICED COc1ccc([C@H]2C[C@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791072342 DNINQTTVPOCHCS-VRCPBSEVSA-N 426.469 0.866 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nc2ccc(Cl)cn12 1791077548 HANISJNCQBJYBV-BPUTZDHNSA-N 444.875 0.977 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CC2=O)c1 1792427709 RWLDSFRRXSWPBK-CMBDLQSPSA-N 426.473 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2 1792490216 PJWSSJPLKJRUSP-UFIVBPFWSA-N 437.562 0.694 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(O)nn2)C3)cc1 1792559161 OXWYJVVLNUOVQJ-FEJSZKPUSA-N 435.484 0.819 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)c1 1793947973 XSOBPDDKBVTFAY-PITHAFQJSA-N 439.472 0.115 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 1793982744 RJYZKYNBVWFCKE-PZTGFMGMSA-N 441.484 0.613 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794118134 FNXFBTAEBDDQFR-CCWDJLKJSA-N 449.529 0.577 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCOC)C3)c(O)n1 1794489183 MAFJGOCOUGWUAW-CWPLJXCYSA-N 433.505 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(cnn2C)c1 1797082113 KZUQCRAMDSXXQT-MZNTUGIBSA-N 437.500 0.635 30 20 ICED CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)o1 1797781581 RTEVOUQEMRUQJM-HGKCTWBKSA-N 430.505 0.642 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798517210 KAZKMZFRYDCDAR-XJZLKLOZSA-N 436.534 0.067 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1 1802482424 LXLFMYPZMCRRAJ-VUTNTTQYSA-N 425.445 0.953 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803563019 GPVAETUCKNLZML-NRJQMVOHSA-N 440.500 0.994 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)N1 1806812513 IYFYYEUQROGRPR-ITFWABFYSA-N 426.521 0.838 30 20 ICED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)CC1 1807708220 NBPDXRUYDMQUIJ-UHFFFAOYSA-N 440.500 0.851 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1808441144 UCWAZWCPCJRMRH-FXAWDEMLSA-N 442.520 0.437 30 20 ICED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815658198 VKPUSYUJFBPCKA-MRXNPFEDSA-N 425.555 0.608 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)S)CC2 1820025691 FIWGFVYJDXRXMU-HBNTYKKESA-N 434.547 0.982 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1 1829263006 CEJBEFNYPZSBKT-HSZRJFAPSA-N 435.484 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1831393360 XIQYHSVZPRHVBN-WZONZLPQSA-N 440.500 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)c3F)C2)C1 1831402863 TZYBCDMTZAPRGH-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831406175 YAPPCJIYEFAPET-QFIPXVFZSA-N 446.504 0.233 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831497245 BGDXRTKLGRHBOV-AMHTUMDSSA-N 429.517 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3nc(C)no3)CC2)CC1 1833076050 PFRKTBNRCJFSJC-PLNGDYQASA-N 444.536 0.351 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833199563 UIBCBLUWVCJWPV-FGSXEWAUSA-N 434.537 0.549 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833451594 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CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1836484286 RRRKEWHITPOFST-XMSQKQJNSA-N 443.504 0.270 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1836667799 YGHAQICVNVEXFG-VFNWGFHPSA-N 435.546 0.962 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)CCO2 1836800298 NSTSPBHNQIKLDI-NRFANRHFSA-N 447.394 0.604 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487174 ZFJRMWQCYSTZSR-HSZRJFAPSA-N 449.548 0.010 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492675 ONTYYTPKNRGTMR-QHCPKHFHSA-N 444.532 0.347 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440796 CDOZYGOMQSNYTO-QFIPXVFZSA-N 426.473 0.762 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CCO2)C1 1838589187 MKFZVTPTDTYQOE-RXSFTSLZSA-N 449.529 0.794 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)OC)C3)C2)c(C#N)c1 1839131143 OKQDOFLIDQKJAV-HSZRJFAPSA-N 445.516 0.991 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c(C#N)c1 1839132089 QYRKDXKXOQGJCA-JOCHJYFZSA-N 426.473 0.870 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5=COCC5)C4)C3)c2c1 1839489289 QEISWPKNIUXNKL-JOCHJYFZSA-N 437.456 0.809 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164753 GBQVDORGQZZDLS-IERDGZPVSA-N 435.546 0.500 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(F)c3)CCO2)C1 1840525272 CAOHNNSADJBTFO-SBUREZEXSA-N 448.491 0.872 30 20 ICED CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840813380 VYQGUZPRBGDNPD-QFIPXVFZSA-N 427.505 0.911 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840851113 JZTRZHAZXSKUQL-UGKGYDQZSA-N 439.553 0.730 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1841054621 WOCRMKVGYGWUNB-WAYWQWQTSA-N 441.513 0.740 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841082090 YLJPIWJYIQHXOG-NYHFZMIOSA-N 447.488 0.161 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196359 OQFXYPSLKUWMSB-OWCLPIDISA-N 447.488 0.302 30 20 ICED COC(=O)[C@H](F)C(Nc1c(C#N)cnn1-c1ccccc1)=C1C(=O)NC(=S)NC1=O 10384345 YWAOKJAIFSTSPR-GFCCVEGCSA-N 428.405 0.452 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 11065772 KBESKSIFRIQNHW-UHFFFAOYSA-N 432.502 0.583 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 15527718 FACJONFXLZKSIV-UHFFFAOYSA-N 438.465 0.687 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C 410093245 GWYGJMLPJBMAJI-UHFFFAOYSA-N 443.525 0.645 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 410418425 CTPQBPYLCTWJFY-KGLIPLIRSA-N 429.296 0.613 30 20 ICED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C)c1=O 429800632 JJZSWZYWAMLVJP-UHFFFAOYSA-N 435.509 0.767 30 20 ICED CC#CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 443550588 PCXAJEAKPOSQIG-UHFFFAOYSA-N 449.577 0.994 30 20 ICED COC(=O)c1cc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)ccc1OC 460604516 CLENDNLVURBXNA-UHFFFAOYSA-N 448.439 1.498 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](C(N)=O)O1 470004313 XDYQDYXHUYLHLD-CZUORRHYSA-N 428.449 0.029 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 478617261 ULXGVSNDCCKTKR-UHFFFAOYSA-N 429.502 0.528 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 482504265 GBQRVRGACPLNOE-CWTRNNRKSA-N 433.490 0.062 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489061042 OEKZIGYUVIHLIP-UHFFFAOYSA-N 428.467 0.997 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 499085207 UBHNADRMMJSMSX-UHFFFAOYSA-N 447.498 0.835 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508509008 YRZMTCWJFXAJCQ-ROUUACIJSA-N 444.561 0.715 30 20 ICED COC(=O)CSCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520676423 LYRHNQHSPYOBBB-UHFFFAOYSA-N 425.532 0.981 30 20 ICED C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)[C@H]1CCS(=O)(=O)C1 521476984 KRRZIXGPHJXRDR-HOTGVXAUSA-N 444.579 0.629 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCO3)c1=O 522277135 QPRVXUSKOOTADK-UHFFFAOYSA-N 429.498 0.703 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523743840 SPQSHSWGPGKODU-UHFFFAOYSA-N 442.497 0.980 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 524281271 OJDWDJGBFAWMNG-UHFFFAOYSA-N 428.539 0.242 30 20 ICED CS(=O)(=O)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540471763 LWXSWMSWGIUBDH-MRXNPFEDSA-N 425.580 0.424 30 20 ICED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 549252907 JQPJBATVJSPYBP-QGZVFWFLSA-N 434.541 0.849 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)n1 550928708 QNSSWONJNUHGHJ-UHFFFAOYSA-N 427.486 0.192 30 20 ICED CS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 560234813 ZWEBGLRFQRLSBT-CQSZACIVSA-N 433.465 1.105 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 561006150 XLKJXRJZFZAOKR-ROUUACIJSA-N 426.521 0.801 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 561644912 IRBZORQSZNIJNL-VAMGGRTRSA-N 430.505 0.160 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2=O)cc1 573638251 DEUHBIKVAIXSHC-OAQYLSRUSA-N 446.511 0.515 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC2(NS(=O)(=O)c3ccc(C#N)nc3)CCC2)cn1 580224684 XNSKPVLJVPGTCQ-UHFFFAOYSA-N 432.487 0.399 30 20 ICED CS(=O)(=O)NC1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCCC1 599798871 RYCYGPPQTLZRKZ-UHFFFAOYSA-N 428.536 0.205 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2OC)c1=O 603793145 MLACCKYGTVHRQN-UHFFFAOYSA-N 438.553 0.772 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1C#N 615989601 XZRBVMKERLTWRX-SUMWQHHRSA-N 425.497 0.359 30 20 ICED COCCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617036175 BYEWBGJKBAZSLJ-LJQANCHMSA-N 427.505 0.843 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)cn2)CC1 618040637 MNBFXEWXBWMEJA-UHFFFAOYSA-N 446.464 0.751 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 729255772 CGPYCBRSLWXAHH-UHFFFAOYSA-N 436.516 0.809 30 20 ICED COc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)NC(C)C 731861387 ZUNDAUFBRPVRRH-HTXNQAPBSA-N 436.490 0.638 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 732562509 DJGOBBSZQRIRDA-UHFFFAOYSA-N 435.509 0.942 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)OCC(=O)NCC#N)cc(-c3ccc4c(c3)OCO4)nc21 734044392 VTKLFZYOXFMBLZ-UHFFFAOYSA-N 437.368 0.226 30 20 ICED C#CCCN1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 742281756 DTMJUVAMIICYBE-UHFFFAOYSA-N 441.351 0.969 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)c3cnn(C)c3)nnc12 743645409 SDKVWUPOTMZDOY-MRXNPFEDSA-N 439.501 0.906 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c(C)c2)CC1 747382278 PEUCESIBDHNNAR-UHFFFAOYSA-N 446.451 0.764 30 20 ICED CNC(=O)Cc1noc(COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 750307961 YZMAPPQYBXJRGI-CYBMUJFWSA-N 449.489 0.555 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1=O 758975521 SPFNPQFFJXORCU-MRXNPFEDSA-N 438.488 0.034 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)N[C@H](C)C(C)C)c1cc[nH]n1 772277296 HDBHSGJKSBFBDK-OCCSQVGLSA-N 425.511 0.756 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[C@H]1CCCO1 773791265 CJRJDHYFLUVKFE-RBUKOAKNSA-N 448.545 0.248 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H]1CCCOC1 780617198 QWRFKGRLWCJTLB-ZFWWWQNUSA-N 443.547 0.765 30 20 ICED CS(=O)(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1F 780744890 MEZMZWQCIGCSNX-UHFFFAOYSA-N 429.455 0.461 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 783348317 XTTPXLGDPRORSJ-UHFFFAOYSA-N 438.550 0.493 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 786706311 XROMAVPCVKYXJK-UHFFFAOYSA-N 432.481 0.713 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(F)F)cc1 788339782 POARMMADBWFRLQ-JCMHNJIXSA-N 432.449 0.836 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccncc1 805808401 UISJDCIXKZMKMJ-GOSISDBHSA-N 438.550 0.714 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C(C)(C)C 807535663 BHQQIVXSNRFTFX-LJQANCHMSA-N 427.549 0.999 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 810116467 LXTDKKAWJMZONF-UHFFFAOYSA-N 436.515 0.072 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 810898411 YJCIDWOWJDFDIM-LLVKDONJSA-N 432.424 0.642 30 20 ICED Cn1cc(CN(CCn2ccnc2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 819734174 RMWPQYGXSGXEJQ-UHFFFAOYSA-N 427.490 0.384 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)ccc1F 914468048 ODNCNYJMMSWNBW-UHFFFAOYSA-N 440.497 0.099 30 20 ICED Cn1c(=O)c2nc(Br)n(CC(=O)NCc3cccc(C#N)c3)c2n(C)c1=O 915119714 GVAPZENZSVPLHO-UHFFFAOYSA-N 431.250 0.384 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CCOC 917353093 JEAACTORLUIWKS-UHFFFAOYSA-N 439.440 0.415 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1F 1253612615 PAYHZUXQTKMHBI-UHFFFAOYSA-N 444.488 0.105 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1288525926 RJBSUXDHBUFZSP-PMPSAXMXSA-N 426.543 0.776 30 20 ICED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCS(=O)(=O)CC2)CC1 1303002269 VDPVQIREMZMPRL-UHFFFAOYSA-N 436.538 0.080 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)CC1 1320610111 ODTSCSAECSQCQJ-LSDHHAIUSA-N 441.579 0.831 30 20 ICED C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1620178682 LDSDLXKFCXYXET-HOLBHBGLSA-N 449.558 0.988 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccccc2C#N)CC1 1627568332 FYOLXKNGWSSZBM-KBXCAEBGSA-N 434.543 0.996 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1696501557 HPXUHAFZAFSTJY-SFHVURJKSA-N 445.549 0.277 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1769242536 PWPGWGMFEOGUJG-KRWDZBQOSA-N 425.493 0.636 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1778952934 HRFFZWWLZRCQLG-LVYKEOCBSA-N 439.513 0.053 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103169 NRWQNOFSBIKGHC-UFMXKRPASA-N 429.539 0.504 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779203690 NNMMGBKOAGSPGU-OXFYSEKESA-N 433.465 0.078 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779318060 GXDBZGVVNOJHLJ-SIKLNZKXSA-N 428.489 0.347 30 20 ICED Cn1c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]c3nccc-3c21 1780040999 SWYGEEKZTSOMFV-JOCHJYFZSA-N 435.440 0.538 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1781395455 QVBUTMHTKUOCFU-VFNWGFHPSA-N 446.508 0.261 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1782010872 IWGBWCARHJEBRI-DYESRHJHSA-N 447.419 0.878 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195485 CCGLDIMJVWSVMP-JLCFBVMHSA-N 438.488 0.745 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782563602 OGIFJBBQHROPOK-VGSWGCGISA-N 446.552 0.963 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783445014 OPTUCRUZRXYBNC-LZBANZJXSA-N 434.489 0.669 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCN(C)CC3)C[C@@H]21 1783528441 WSOSMHLULWESMG-GYMRMKKLSA-N 432.565 0.556 30 20 ICED CCOC(=O)N(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)Cc1ccco1 1783567208 ISHJVVLLJAMNDD-OAQYLSRUSA-N 447.444 0.156 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1783889272 HISLNVDCHANDDM-LIRRHRJNSA-N 426.560 0.781 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]3C2)no1 1784536076 KTEWGFIPJDXRLM-ILXVDBEPSA-N 438.550 0.647 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C#N 1785197075 BDJLGTQOWZVUBR-JOCHJYFZSA-N 425.441 0.877 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n(C)n1 1785614999 OZPRQDCJZHUQCL-RXYBXQHJSA-N 432.525 0.494 30 20 ICED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1786239890 ILJHAMNAFGEQHI-AVQNSFKSSA-N 447.492 0.608 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3I)[C@H]2C1 1788898107 SNZBFPMSPVAXRP-NHCYSSNCSA-N 443.245 0.521 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cc3F)[C@H]2C1 1790080518 IYZOYTGMSKQWPV-MZUPBALQSA-N 431.464 0.983 30 20 ICED COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)s1 1791079040 XFDFAPORZIVRBK-QEJZJMRPSA-N 434.470 0.145 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]3C2)c(O)n1 1791474125 PIHCRELDVJMPTE-WBAXXEDZSA-N 446.504 0.855 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1OC)C2 1792484597 QCGWRBOMZPPVRN-SWFHQTGMSA-N 442.516 0.471 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)C)N(C(=O)OC(C)(C)C)C1 1795186291 JMGCRUFYYYWSLO-ZMMAXQRCSA-N 436.553 0.703 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3CCCC3=O)c2c1 1795451580 HNGXKSCRAHXWNT-YVWYUNDQSA-N 436.472 0.260 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)cc1 1797611851 XIQYGKWVHWKPOO-KALPFLKPSA-N 436.512 0.915 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784212 PHRXZKPTKWMCIN-DCXXXQMHSA-N 441.532 0.565 30 20 ICED CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)no1 1797808589 KJEBVUDYVGXQBQ-QDLITJCTSA-N 449.508 0.854 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1797810998 DYAKSILICIWZJA-QTTPAESDSA-N 442.476 0.462 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797814943 FDWPKTXHNXFYKX-ZTWUFANWSA-N 446.508 0.396 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797838768 YAWBIYDSWIRSLQ-VZEZJPMCSA-N 438.444 0.350 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)c1ccccc1 1797873820 LLBYREIVCSZXLX-UJMXGEILSA-N 425.485 0.882 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)c2ccccn2)C3)ccc1F 1799325788 SXVQHICWMRUCEF-YVCBRDFCSA-N 437.475 0.924 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)ccc1F 1799326846 IVEVJFNRLFGAEH-FAQVEIGNSA-N 439.447 0.086 30 20 ICED COc1ccc2c(/C=C/C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c[nH]c2c1 1800778354 OLQGPQIUGZNIJE-DGIONUILSA-N 437.452 0.867 30 20 ICED C#CCCCC(=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 1800994527 ZXNHSSGRKFVQJD-KWXDATOUSA-N 449.548 0.607 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801002248 YQECMFBATVVLEJ-AAUAJYIVSA-N 443.500 0.696 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801289443 XVAKUEVCLCMMJB-SHJAMOMRSA-N 429.521 0.240 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1804374451 VWYXDPQHBIZXQT-FZKCQIBNSA-N 431.497 0.228 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810390803 URNJJWAVFYYFRS-GBUJGOBCSA-N 440.504 0.392 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815597448 OSAJYULQOTXWPC-AWEZNQCLSA-N 444.496 0.235 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668400 YYDRCMHILDDRSK-OCCSQVGLSA-N 433.469 0.755 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1817318594 PZKNPRIWWVWPOJ-SJLPKXTDSA-N 447.540 0.334 30 20 ICED N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819844591 WYSUEMVYSXBQIH-CQSZACIVSA-N 444.561 0.594 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)cc1 1822163306 PBFIWNLWRODFTQ-KBPBESRZSA-N 426.502 0.833 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826319624 KTMQUXGSHJSGFS-GFCCVEGCSA-N 446.485 0.490 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1 1829632691 YCQXUXZZNGWFRH-XXBNENTESA-N 440.500 0.226 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)C1 1829669380 WTEDTVZSLHDOPH-HSZRJFAPSA-N 439.468 0.858 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)cc1 1829812193 FXWNMJCDJXUBHD-GGAORHGYSA-N 439.468 0.884 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829822967 DKCGTJWPZUXCKA-GAMXZPBPSA-N 434.493 0.241 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1830057299 AGUGMEQJMSYNSN-UGKGYDQZSA-N 442.472 0.727 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831388487 YXUUIMPUTXBLIB-QVKFZJNVSA-N 435.452 0.338 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831424492 KLTVTZGGJXONFD-VFNWGFHPSA-N 429.477 0.619 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831493160 OWCOCEXCRVCGLI-CFPAGDMOSA-N 425.551 0.232 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1832454431 NVRDAAOBYPZRRQ-LJQANCHMSA-N 426.514 0.857 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3C)CCO2)C1 1832630672 NYICEMZRELTTDG-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(C)cn3)CC2)CC1 1834159301 IFCQSPDMSZULQQ-PLNGDYQASA-N 440.548 0.829 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1835361610 UGSVFBVJFIYVAR-HSZRJFAPSA-N 442.516 0.897 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835653846 ZZIXSWIGTQQMQM-FQEVSTJZSA-N 431.518 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccs1)CCO2 1836083744 QLYGYUCEMPPISK-QEVIJRNUSA-N 433.530 0.605 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1)c1cccs1 1836520941 YVHKDRPPXOYVRC-PPCRGMIQSA-N 434.514 0.980 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837531595 QMMCMBXNPRJAOU-CMEFWWCBSA-N 448.476 0.386 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cccc1=O 1837561163 CHDFHZACTMAROS-HPARJBSBSA-N 442.472 0.167 30 20 ICED N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccn1 1837562756 OYSIZOQHOWJTKB-PHBSZKRHSA-N 441.488 0.250 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)ccn1 1837979114 FVBRWTRJWYSYJX-IERDGZPVSA-N 434.493 0.961 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1838951366 MPNVHRXUQSTMDC-FGSUIDRYSA-N 438.528 0.968 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1839228888 RPMNLVWWHNHXDH-UEXGIBASSA-N 435.525 0.777 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1839454098 UHTBMGPIGYSLEC-MBSDFSHPSA-N 440.500 0.463 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839878725 GOPMGXAZVYPKMH-LHSJRXKWSA-N 448.907 0.806 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839889238 JWCVKIUMVOLEHY-SFHVURJKSA-N 440.403 0.456 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1)CCO2 1840349032 WMFWHUYWCCYUGB-OTVNPASYSA-N 430.505 0.364 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cc(C)cn3)CCO2)C1 1840405242 MMGRLVQWRFMZCT-SPEDKVCISA-N 434.537 0.782 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818912 FJAZUSITKPTRSP-QFIPXVFZSA-N 439.472 0.441 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844656666 SJOUHCRWKMGTOS-UHFFFAOYSA-N 427.461 0.657 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)COc3ccc(O)nn3)C2)c(C#N)c1 1845772753 BPIVKUOMKRJIQA-UHFFFAOYSA-N 437.456 0.887 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1847804376 HRNKVEOOMYLNAS-AMGKQAFBSA-N 425.529 0.862 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 29028207 XMWKPOBMOKCABV-UHFFFAOYSA-N 449.577 0.895 30 20 ICED CNC(=O)c1cc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1C 30335593 QGIKDUFTPGLEDJ-UHFFFAOYSA-N 441.517 0.935 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 409517389 AMPBFVZRVKLVHR-UHFFFAOYSA-N 446.551 0.108 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@H](NS(=O)(=O)N(CC)CCC#N)C1 410130600 NKNXVYFFAVAUPF-IRXDYDNUSA-N 448.615 0.685 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1 427657971 UHBMXIGOOSBHCP-IEMRVRIDSA-N 447.470 1.447 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NCC3CN(S(C)(=O)=O)C3)c(C#N)c2N)cc1 430116094 AOXCZECYDNUNHJ-UHFFFAOYSA-N 445.549 0.758 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435632485 OUYZRCRIWXFESK-UHFFFAOYSA-N 435.437 0.774 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@@H](C)O)[C@@H](C)CO)nnc12 443804933 VSTVVDGFEBUYSL-UONOGXRCSA-N 431.518 0.913 30 20 ICED COCCn1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 444511419 YDWGKIUGZZPNGX-UHFFFAOYSA-N 433.472 1.237 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 460659293 WPGVNXYTSZQFFU-UHFFFAOYSA-N 441.455 1.001 30 20 ICED CCc1nsc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 464772613 IHMCUKSZFUNJNC-UHFFFAOYSA-N 430.538 0.739 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](NC(=O)NC)C3)nnc12 468723235 HVXURTLPMNPQLV-ZDUSSCGKSA-N 441.517 0.852 30 20 ICED N#C[C@@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCc2ccccc2C1 472272578 DYWLPEZCFZBCQC-JOCHJYFZSA-N 438.509 0.988 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)o1 476540403 FBPZCGLEXRBVDY-ZWKOTPCHSA-N 445.497 0.646 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCOC3)c2=O)n1 479362377 RGNYOJDYIRZKDK-LSDHHAIUSA-N 441.509 0.459 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479387315 WCXQBNFWFZWVJD-UHFFFAOYSA-N 443.554 0.740 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 489034437 CERJNVIEMSVAGD-INIZCTEOSA-N 445.566 0.412 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)cn2)CC1 497493869 JRLKTKNGTXVMBG-HNNXBMFYSA-N 440.529 0.700 30 20 ICED COC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)nn1 501986214 SHHQOJWGMLJRQS-UHFFFAOYSA-N 426.252 0.944 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](C)S(N)(=O)=O)nnc12 507710620 WXUPTBXHURYBPT-LLVKDONJSA-N 436.519 0.116 30 20 ICED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 508474876 WFDIGGWHSUZNKH-AWEZNQCLSA-N 430.538 0.946 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 511232572 HSYZYXUFGOLIQN-NVXWUHKLSA-N 429.564 0.989 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 515087105 IYLFNXLINFPZIJ-LJQANCHMSA-N 440.500 0.573 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O)c1ccccc1 525777921 BYAHDMNOGQHTTC-UHFFFAOYSA-N 433.449 0.026 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 536346857 ZHCVOEXHWNUHKF-PWIZWCRZSA-N 442.541 0.977 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 537454063 MOOKMZSSMLLMBV-UHFFFAOYSA-N 445.339 0.767 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n2)c(F)c1 541134664 ZFLAIRWCCXUTIO-KGLIPLIRSA-N 431.449 0.857 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546200354 GYPZEWRNZXGKOT-UHFFFAOYSA-N 436.472 0.708 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 548984752 VPOQSDUCEMVFQD-UHFFFAOYSA-N 431.536 0.335 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 551199817 HEJNTEAFERGWJJ-UHFFFAOYSA-N 430.552 0.402 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 558450137 AXZXAPIAIQPEPP-UHFFFAOYSA-N 447.565 0.837 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 559194495 LXZPFZSIOAKXTA-RDJZCZTQSA-N 445.545 0.941 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 560772632 QKNRYXRRFZHENK-OALUTQOASA-N 432.546 0.673 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 561644910 IRBZORQSZNIJNL-HSALFYBXSA-N 430.505 0.160 30 20 ICED CN(C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 561730293 ZIJVFTLGHKUXNM-MOPGFXCFSA-N 447.561 0.972 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 571367057 JWSLZDPYYYYILM-UHFFFAOYSA-N 444.883 1.076 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(CO)C[C@@H]3c3ccccc3)n2)cc1 584024593 PGJNNWAWXHMBMI-AUSIDOKSSA-N 430.468 1.419 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CCOc2cc(C)cc(C)c2)c1=O 613979296 ALYLDJYENKMYSE-UHFFFAOYSA-N 428.489 0.698 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)c1 726581172 ORRNQICDBOBWQY-UHFFFAOYSA-N 429.505 0.739 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162757 UYBLYKSRNJOJIK-UHFFFAOYSA-N 430.578 0.259 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 728531617 LXXMBZFOWAOSPD-UHFFFAOYSA-N 443.504 0.971 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(N)=O)CC1 728869460 JJLIGXFEGBMYAY-MRXNPFEDSA-N 435.550 0.159 30 20 ICED CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 730322601 PSCSWIUZMAGDOE-HNNXBMFYSA-N 435.506 0.748 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)CN1CCOCC1 732165020 FPRTVAACUFAWGK-GOSISDBHSA-N 442.541 0.785 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)cc1 732491623 HOEQAZKFKDFLQH-JCMHNJIXSA-N 431.478 0.072 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCNc1ccc(C#N)cn1 733037114 OCFRWSAHBMCPSG-UHFFFAOYSA-N 432.506 0.477 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CCN1Cc1ccccc1 734077139 GRZGBFWFURZAIR-NRFANRHFSA-N 446.511 0.798 30 20 ICED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cccc(-n2cnnn2)c1 734749840 DIBKVIIJVGZKAX-UHFFFAOYSA-N 441.521 0.830 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 745586641 NBAAVFHDOFIVGF-QGZVFWFLSA-N 427.438 0.780 30 20 ICED Cc1ccc(OCC(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 746189277 NSCGQNSWOIXKEN-DQRAZIAOSA-N 426.473 0.961 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 749370683 NZDCRAPZCXMHKD-UHFFFAOYSA-N 432.502 0.682 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758055553 QYXDQIMODZHRDP-UHFFFAOYSA-N 431.433 0.988 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC(C)C)c2)c1=O 758070604 VPLHKUPSSLFJKM-MRXNPFEDSA-N 439.537 0.984 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758751650 KIIZCPWTSVRSBE-YESZJQIVSA-N 434.541 0.693 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 761026455 ZHHBAMUUMKQJGZ-LJQANCHMSA-N 447.605 0.241 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763435968 RRXZLZBLDRMJBN-UHFFFAOYSA-N 446.598 0.753 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CCOC 769637273 RPBUNSCYGGQVOB-UHFFFAOYSA-N 431.562 0.616 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 771388264 GOZJVLNTNRQGMB-JOCHJYFZSA-N 426.473 0.450 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 776648574 RCTXEBIEZQXDNQ-LJQANCHMSA-N 446.552 0.612 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)nc3)c2=O)cc1 782250227 PUUJVCAEBRMNIB-UHFFFAOYSA-N 448.460 0.881 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(Br)nn2C)c1=O 782793506 REAWNHDQMDMYSH-UHFFFAOYSA-N 434.319 0.068 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1 783459357 PVXHEXRWVDZFJT-UHFFFAOYSA-N 428.470 0.578 30 20 ICED Cc1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 785953620 RQSLMLZKIQTHKU-UHFFFAOYSA-N 432.458 0.474 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)n1 789788258 FYPKPSIYGBDUJM-UHFFFAOYSA-N 442.428 0.645 30 20 ICED C#CCN=c1nc(N2CCC(O)(C(F)F)CC2)[nH]c(N2CCC(O)(C(F)F)CC2)n1 804624915 CPNWWOIAQUTNAZ-UHFFFAOYSA-N 432.422 0.531 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 805738626 QVQRVZLKPLFMTQ-OAHLLOKOSA-N 430.509 0.879 30 20 ICED Cc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1 814504504 SBIIQPIHZYSURR-UHFFFAOYSA-N 432.458 0.853 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)o1 915389263 SMCULIAVQLOUFK-YPMHNXCESA-N 443.382 0.504 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 916703626 OAICREFMAGQZFA-MRXNPFEDSA-N 430.486 0.230 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O 916940106 RXKJDAOCGBBBBO-JTQLQIEISA-N 432.799 0.574 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 920614332 OLSFKMFCRRBJGM-UHFFFAOYSA-N 436.534 0.752 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1286890423 QBUPKTYYFHYFJA-GOSISDBHSA-N 449.581 0.084 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1288985929 HBKAIDLCTPXTMA-CABCVRRESA-N 435.554 0.641 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1318041386 NJDUHSCXYKSJSJ-ZVZYQTTQSA-N 447.513 0.878 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1542633843 RJIUDFSXQYPDAG-CVEARBPZSA-N 431.522 0.801 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1643404166 VRVPBGZREHMVAE-PBHICJAKSA-N 442.451 0.400 30 20 ICED Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1693415788 UDCFOYXPRFYAOG-OAHLLOKOSA-N 435.554 0.818 30 20 ICED CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N(C)C 1694286421 SZLVCHAFYBUAAU-OIISXLGYSA-N 441.602 0.983 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1724010409 OIJAFGVJDLPVLG-LBPRGKRZSA-N 430.481 0.692 30 20 ICED CN(C)CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1729339194 SQPFPGPKFUGKKR-ZWKOTPCHSA-N 439.520 0.947 30 20 ICED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740742230 IGFFOCSYRXLZGZ-UHFFFAOYSA-N 435.330 0.854 30 20 ICED COc1ccc(F)cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1748844201 XKYPNYLCMCHOHQ-DOMZBBRYSA-N 438.485 0.813 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)n1 1751853461 IJIGKIZUHDKWEX-RBUKOAKNSA-N 428.541 0.715 30 20 ICED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1751934105 KTHOKUATSVBOJX-FQEVSTJZSA-N 430.534 0.330 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1778782057 RLFIHOMSFQMHFM-KNQAVFIVSA-N 444.488 0.385 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cccc1=O 1779101480 QOEMPRFSTZPQRE-RETMYHCQSA-N 432.477 0.358 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1cnnn1 1779364466 YWWQKNHJZNHLNL-QEORTHCHSA-N 432.529 0.220 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173769 DPGKSJFIAJKGOF-UWJYYQICSA-N 446.460 0.075 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1783530930 WMALLFROQZJUCR-SPYIXANLSA-N 438.488 0.410 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567768 ZBCNGHHJFIWHBN-KSFYIVLOSA-N 449.504 0.551 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783646932 ONOSTIHTXLRPOV-GREBRCKQSA-N 441.484 0.222 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]3C2)cn2[nH]cnc(=O)c12 1784536858 GGRZKNCRPZWRNY-MBGYTDRXSA-N 447.561 0.879 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c(O)n1 1785774108 LCLFLEDNYURTPM-IQLMPHEPSA-N 444.532 0.222 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cn1 1787248897 SOWQYYDJIBNZBJ-IHPCNDPISA-N 445.541 0.633 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080959 MTQZXGKZSNIJGC-ZQIUZPCESA-N 436.472 0.740 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788571414 KKJADHPNARWSAJ-PBWTXFEYSA-N 446.548 0.687 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)c1 1789508702 ZFJUJATVKUURNP-WDSOQIARSA-N 438.444 0.956 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)N1CCN(C)CC1 1789510612 IQFKPXZIAQWNLR-MNAPGUCWSA-N 439.560 0.787 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1790273266 LDBYAWOYMNKJRJ-WDSOQIARSA-N 436.468 0.385 30 20 ICED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1794338500 WBHJIDUVEZXVNT-UPHUGPLXSA-N 442.516 0.777 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599216 YPNUWLUFRJAPMB-XLMAVXFVSA-N 429.525 0.148 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797639857 IMJCQOHEFHAJFV-RMZWBFLNSA-N 427.457 0.349 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)cc(C(N)=O)cc1C 1797733447 ASNWHOSNDVAMER-PHXBYCTMSA-N 427.501 0.644 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742303 RWBRBSIATFVUDG-QVXMBZQBSA-N 428.537 0.013 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798414400 BYAMPYQSDSQDLX-ZJOBFFGXSA-N 447.517 0.760 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)nc2nccn12 1799988315 JFSBMHXZSSGAOU-WSOVOLMPSA-N 436.472 0.953 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[S@](=O)c1ccccc1 1800209510 CGYRYAHETPHXMA-JPFBJIMESA-N 432.542 0.811 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@@H](C1CCOCC1)C(=O)N3)C2 1800452358 HCYFIRWHBBIMEF-WOSNLTMFSA-N 437.496 0.985 30 20 ICED C#CC(=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 1800453957 UEPVAYVIFCZKNT-HXFPYSNGSA-N 437.418 0.374 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804197608 IOVXZKGPAYKOBX-LESCRADOSA-N 440.591 0.136 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1807145578 NRHLZHMVVWDCCZ-CTNGQTDRSA-N 442.564 0.701 30 20 ICED O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)=NN1 1810220835 FOTZTWBNUOFKSC-ROSYZYKYSA-N 442.476 0.492 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1812881688 ZJSHCSJSUZQVAM-RHUPGUTDSA-N 428.445 0.704 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1815062433 KSPVZRADCMGFBZ-KFRDDWEOSA-N 432.506 0.360 30 20 ICED CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)CC1 1819777265 VJIVTTNEYRWKHO-SITPEIFSSA-N 447.609 0.774 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819951586 FTBUXNRZHKPMTR-NEFISRKZSA-N 432.506 0.360 30 20 ICED CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826941086 MKLLTCYDLKMVMM-MSOLQXFVSA-N 435.569 0.951 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828524688 DKNFPDXEPBUMJH-HXOBKFHXSA-N 445.516 0.961 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccs3)C2)C1 1829764794 VVSZKSXOSMUNCV-IOOHMRRSSA-N 447.557 0.996 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1829890904 QZCQPFXAIKBDFO-GQBVICOWSA-N 435.569 0.256 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1830332421 MQYOUXNAMGLNCC-VPWXQRGCSA-N 426.514 0.158 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1830464500 HOIZPLWUQYSORZ-OFNKIYASSA-N 427.501 0.984 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1830643011 VBBCETSHGSJYHP-LAUBAEHRSA-N 439.509 0.276 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1Cl)CCO2 1832272563 FYBSFTRUDHDVPS-HXUWFJFHSA-N 438.839 0.566 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832492319 OFIRTRALYOKYPS-HCLVMJGWSA-N 446.500 0.874 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2C[C@H]21 1834767492 JSNGIFBJTOOZMX-FSNCLGKMSA-N 448.520 0.754 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834857346 DWWCEFQFNXSQGT-NRFANRHFSA-N 433.436 0.721 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834872723 OGJSBDFUBBWWNB-UHFFFAOYSA-N 432.525 0.359 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C1(O)CCC1 1835667288 ARTYMQJLBXNASE-DYESRHJHSA-N 436.553 0.276 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835712770 CAUOZEXYWVOYQA-MSOLQXFVSA-N 437.585 0.578 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccnn3)CC2)CC1 1835717956 TXCQPWRCKKIIQL-APWZRJJASA-N 432.569 0.984 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1)C(F)(F)F 1835764072 IHGMRPNTHHHBPV-LJQANCHMSA-N 448.486 0.327 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1836126195 YCSCDIBUILEQOJ-UHFFFAOYSA-N 438.484 0.840 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)c1 1836222127 OQFZASKFTMOJAT-DENIHFKCSA-N 429.473 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)[nH]n1)CCO2 1836281177 WPNKREASWMTLER-OAQYLSRUSA-N 434.493 0.552 30 20 ICED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c2ccccc21 1836343586 SUYOQMFVPDKAOO-QFIPXVFZSA-N 440.456 0.214 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCCN(C)C3)CC2)CC1 1836349313 OKTVYLQHFSZOKZ-RURPWVQCSA-N 445.608 0.758 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971879 JQIZMOYLKGJSSE-IBGZPJMESA-N 440.447 0.947 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1837305844 KQBWHIHOEJRMPH-ZJSXRUAMSA-N 448.608 0.849 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837564186 BPTQHYLHFJRDQL-FFCJBUTOSA-N 428.445 0.569 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838077517 BKQVNHFIUCLWAW-GOSISDBHSA-N 441.410 0.813 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249432 WMLBGIIQUMUHHS-HLQTZPMBSA-N 433.484 0.762 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423251 KRHAFKXXGBACRU-KKSFZXQISA-N 429.477 0.390 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5cncn5c4)C3)C2)c1 1838737337 OZWAHMVUJCLMQN-QFIPXVFZSA-N 434.456 0.918 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773782 AXRGXEPQEDPHLX-MOPGFXCFSA-N 446.500 0.828 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533081 RCCUIMIDLDHOMT-IERDGZPVSA-N 433.509 0.700 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1839761499 MTDHZVZTMPBPFT-QFIPXVFZSA-N 441.484 0.972 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839779515 AZXJHALMDPAXMP-RXVVDRJESA-N 440.562 0.788 30 20 ICED O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840191953 CNUIGCSECBROFJ-NRFANRHFSA-N 432.498 0.312 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840294834 OBZGHVUBHBHNKL-JOCHJYFZSA-N 430.505 0.929 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)nc1 1842255377 SABDFXIKWAHFBB-LPYMAVHISA-N 433.534 0.774 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CCCC12CN(C(=O)CC#N)C2 1847100647 OPBZXYSQPISWAJ-NYHFZMIOSA-N 445.520 0.477 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 28723504 KDCKSJWFSIJMDA-FQEVSTJZSA-N 436.534 0.819 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 62087773 GQRKTBMVTBCSRM-UHFFFAOYSA-N 428.470 0.834 30 20 ICED CN1CCN(c2ncccc2CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 109252396 NSBIOBBYYFYHOX-UHFFFAOYSA-N 442.545 0.642 30 20 ICED CC(C)C[C@H](CN(C)C(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 409878963 QAFBQKOYBHUQGH-QLFBSQMISA-N 426.485 0.424 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NCCC#N)CC1 427611298 FKBYJDUWWVGQBA-UHFFFAOYSA-N 442.925 0.992 30 20 ICED N#CCSc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 431341244 ZPWHIZKLTLTYJQ-INIZCTEOSA-N 436.559 0.363 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 441584133 YZMVMIOKGBMLEJ-IBGZPJMESA-N 437.500 0.911 30 20 ICED COc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N1CCOCC1 469705860 OCTHVGFAUHYUBT-UHFFFAOYSA-N 434.478 1.470 30 20 ICED COCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471690208 WDVMTLPVKPNRNZ-UHFFFAOYSA-N 431.518 0.983 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2)c1C#N 471865809 ZTYHMYAQZXPKDZ-UHFFFAOYSA-N 445.549 0.882 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 473226830 NYDFJMRWZYXSHJ-CQSZACIVSA-N 433.472 0.652 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C2CC2)c1=O 478844602 KXQWASLERQJCCT-INIZCTEOSA-N 427.530 0.820 30 20 ICED CN(CC(C)(C)CNC(=O)CN=c1ccc(C#N)c[nH]1)C(=O)CN=c1ccc(C#N)c[nH]1 478968128 UKTVZXGTIITRKZ-UHFFFAOYSA-N 434.504 0.189 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 482457625 SZNZPOYPVWYOCH-JSGCOSHPSA-N 437.503 0.420 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486019009 RBDUDDKHAOPDJT-QGZVFWFLSA-N 427.486 0.734 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 488190105 ZIYHGTGTOVMSKZ-WTPASJBYSA-N 445.549 0.525 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 488321384 HBCPOSLZDCFOPT-MRXNPFEDSA-N 442.563 0.499 30 20 ICED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1n1cccn1 494041375 HOLVMHQBGHRXCP-KURKYZTESA-N 434.460 0.868 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)no2)C1=O 504343134 LUJCOHIMPNFDLD-UHFFFAOYSA-N 427.373 0.499 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505353687 QIOZNUNHKYVRBL-INIZCTEOSA-N 435.506 0.551 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2c(C)cnn2C)c1=O 505655891 CUJGOOYINIOWRJ-CQSZACIVSA-N 447.586 0.113 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CCN(C)CC2)c1=O 505664313 SCDWQBXIBVTHAP-UHFFFAOYSA-N 442.589 0.494 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508808923 IWBHDVZZHOELQH-JKSUJKDBSA-N 439.586 0.207 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)CC2)o1 513676716 JLQYXUHLHKSRRM-QMHKHESXSA-N 445.483 0.849 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cc1 515397863 XOIAGKFPKBJHAF-UHFFFAOYSA-N 438.550 0.659 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)cc2)c1N 520372608 YHXWSKYMLBDOGF-QGZVFWFLSA-N 432.506 0.544 30 20 ICED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 527279922 YTBPYQWCZILUHC-CQSZACIVSA-N 432.523 0.349 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 533455770 IFNUPVQNIPAOED-MRXNPFEDSA-N 442.501 0.402 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C#N)cn1CCOC 539635839 MNNXTFRYQXWTIO-HXUWFJFHSA-N 431.449 0.842 30 20 ICED N#CCC1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 542898924 NITPQNQDNFZFHV-UHFFFAOYSA-N 438.481 0.937 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 550501054 KPZGYHKUNLNHLH-UHFFFAOYSA-N 433.468 0.405 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCNC(=O)CC3CCCC3)CC2)c1C#N 552659442 QGJPKFDHUFXPMJ-UHFFFAOYSA-N 429.525 0.062 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)c1C#N 554353521 DLPQMLHLZBWRIU-RTBURBONSA-N 443.552 0.008 30 20 ICED COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 563515266 SBZXTCQMGKIFTE-UHFFFAOYSA-N 440.504 0.625 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 603552694 OCEIRCZNUXTXEL-UHFFFAOYSA-N 435.509 0.482 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O 608911363 BLHBRZJSEZSZKB-UHFFFAOYSA-N 426.542 0.740 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@](C)(C#N)COC)CC2)o1 610924908 ZRMOZRRCMLYIFG-SFHVURJKSA-N 427.479 0.902 30 20 ICED C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)N1c1cnn(C)c1 617038229 XJJCOAPRUSJWMZ-MDASCCDHSA-N 435.488 0.886 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 728533008 RFBCHUDAXJPWGJ-UHFFFAOYSA-N 425.514 0.832 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732911179 ZEGMSMIZHDWWLX-WBVHZDCISA-N 435.477 0.644 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCOC)c2=O)cn1 743725793 ZVCZRVUZDARNPV-UHFFFAOYSA-N 432.546 0.907 30 20 ICED C#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 748377355 VGRPRYFTIUAHOV-UHFFFAOYSA-N 434.518 0.770 30 20 ICED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 752138124 OLMQMJNXRZVCLE-GWKQSCENSA-N 437.522 0.469 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3ccnn3CC)c2=O)c1 753788092 JCZLFWBZQOEGPU-UHFFFAOYSA-N 429.505 0.902 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 757587322 IGDYWUWVLUUPDE-GJZGRUSLSA-N 441.496 0.611 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758060675 HZRXNAMHIGFOCT-UHFFFAOYSA-N 443.912 0.997 30 20 ICED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 766560863 BUKFXYWWNKMMBZ-TYHXDMBQSA-N 438.506 0.046 30 20 ICED CCCCn1c(N)c(N(CCOC)Cn2cc3c(c(C#N)c2=O)CCC3)c(O)nc1=O 766617893 AAAPAQTYVOUEIF-UHFFFAOYSA-N 428.493 0.964 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770435694 SUODBKCMFMIHTO-HXUWFJFHSA-N 426.517 0.929 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 771240147 FNUWCNNOWKCAEY-CQSZACIVSA-N 437.435 0.951 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(OC)ccc3OC)c2=O)cn1 772300896 JKPCEYSMLPQYGK-UHFFFAOYSA-N 437.481 0.462 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(I)cn2)CC1 773144082 WPJMURGMLUDPOX-UHFFFAOYSA-N 440.241 0.613 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 777177163 SDUZTPZCSHJUEQ-JCMHNJIXSA-N 436.490 0.507 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 779571074 XLUHFLWKXNUGQX-YVHXKWHWSA-N 427.505 0.791 30 20 ICED C[C@@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCOC1 781294853 XMELVTXAXXLIRU-HXUWFJFHSA-N 435.502 0.751 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ncnn1C 789615710 ZSUXGWFVDRNZHI-QRLOFXTQSA-N 433.494 0.444 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790010950 DTWVJPFSSBAWMI-OAHLLOKOSA-N 446.489 0.841 30 20 ICED Cn1c(N2CCC(O)(c3scnc3Br)CC2)c(C#N)c(=O)n(C)c1=O 797437015 MLQWYMIDDNIVBD-UHFFFAOYSA-N 426.296 0.663 30 20 ICED CC(=O)N[C@@](C)(C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 797515327 PGNHFAJXRKCYFQ-VQTJNVASSA-N 435.502 0.793 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C(C)C 799273642 ZAZWKTLYKUARCJ-YJBOKZPZSA-N 449.529 0.973 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800099264 HPIIRYIVULGFJH-HNNXBMFYSA-N 429.568 0.906 30 20 ICED COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802458159 PJCUFRSRFXLVEF-YOEHRIQHSA-N 434.522 0.984 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H](O)c2cccnc2)CC1 803956387 XXTFCYPHODCJBP-LJQANCHMSA-N 444.469 0.063 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273864 LVKUMHQYMFCOGX-UHFFFAOYSA-N 437.472 0.353 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2cccnc2)CC1 918123917 FCCSMYKRPGKQHJ-UHFFFAOYSA-N 441.513 0.885 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918432106 UJQYOZFUGLMGOV-QIAIEURZSA-N 436.490 0.459 30 20 ICED C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)N(C)CCC#N 919647656 KSYOJZCLNXENEO-HIFRSBDPSA-N 449.485 0.927 30 20 ICED N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 919818438 LRVYNJLRIGINAC-KRWDZBQOSA-N 425.532 0.152 30 20 ICED C[C@H](CC(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1139042808 WNTUURUVBLWXAV-GFCCVEGCSA-N 431.522 0.451 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301017654 LPXVBRKXDYOXGE-AWEZNQCLSA-N 447.993 0.287 30 20 ICED COc1ccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)cc1 1467575545 KTDJQKPVKDGMGM-GOSISDBHSA-N 426.477 0.965 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1521115110 QGOWENMVJLWOEI-CVEARBPZSA-N 441.579 0.887 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)C1 1555985771 WDGOFRBQWUCEME-SFHVURJKSA-N 446.397 0.744 30 20 ICED CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618843839 MFWMBRYDKQPOBY-CQSZACIVSA-N 445.553 0.472 30 20 ICED COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N(CCC#N)CCN1CCOCC1 1672023013 JSZUCXHZWNJZNV-UHFFFAOYSA-N 439.538 0.824 30 20 ICED CC(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1691523354 VILVSGGOELFFHR-HUUCEWRRSA-N 441.558 0.122 30 20 ICED CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1694286434 SZLVCHAFYBUAAU-PVAVHDDUSA-N 441.602 0.983 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1706871561 QFPDUWIUEDZQKG-KDOFPFPSSA-N 441.533 0.733 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1=O 1710262921 CTGBVJXCQFFGAB-QFIPXVFZSA-N 440.504 0.939 30 20 ICED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1730475392 VVJQGGBMBRSJBC-SJLPKXTDSA-N 441.492 0.604 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1740823101 XIXCHLKACFMDHC-OAHLLOKOSA-N 448.977 0.132 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1741711062 LJHLXRKRULVADR-IBGZPJMESA-N 437.570 0.972 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1747544542 XJQQOYATZAURPQ-UHFFFAOYSA-N 447.503 0.934 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749269316 PSTBJLIOLSFOAH-LSDHHAIUSA-N 443.957 0.760 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780167166 FMLHUDKFDMHDRD-SIKLNZKXSA-N 428.489 0.925 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337706 OTFHIUVGUDASML-FOIQADDNSA-N 433.465 0.173 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C#N)c1 1781175838 SSEPUOAMEIWMPO-QFIPXVFZSA-N 438.488 0.621 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793819 VGYHMLWQCCRBHI-KNQAVFIVSA-N 428.489 0.347 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c1 1783957294 QSCJFSZNVSJDBT-HXUWFJFHSA-N 433.486 0.828 30 20 ICED C#CCO[C@@H](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 1784478590 BIXNKKPMFGSRJF-FPXQBCRKSA-N 446.504 0.794 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1785378533 HWWIGDFOKSGNSO-GMAHTHKFSA-N 435.484 0.862 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1785573372 VOEJRYSYHWYGGH-AOMKIAJQSA-N 445.520 0.780 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787380875 WXJLQKLKHBMRBK-DRMAHVMPSA-N 429.473 0.484 30 20 ICED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C#N 1792710939 POHPGTNDNAYSCR-BCDXTJNWSA-N 425.526 0.871 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1793204519 LKVKAPAJIUIMLP-ALXJQNPVSA-N 435.521 0.531 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1793340002 FFYPJRBAUVWMOX-ZLBGHFJPSA-N 439.512 0.487 30 20 ICED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793473079 SGFOJZCRJODIMJ-RMFSNUHRSA-N 442.516 0.689 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1793818838 BAVRSIQJLCAFSN-ZSBFGKGUSA-N 439.559 0.608 30 20 ICED COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795134195 AOLTXYBBQHIOTK-HBCWATKFSA-N 425.445 0.591 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)c2ccccn2)C3)c1 1798577051 SOHHEALSGOMLFT-JWWGGVBKSA-N 435.484 0.865 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1799302693 KHCNYMUKDDVJLL-CCWDJLKJSA-N 449.529 0.577 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2ncccc12 1799974534 BMJBYOVUAPRLHF-PFIYSYJPSA-N 435.484 0.691 30 20 ICED CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1801241861 XOUVVNKPTPJHSB-BLRHGBAUSA-N 425.555 0.638 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802114257 LWAMPTJGTRGGOK-FLNBYBTLSA-N 443.544 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]1c1cccnc1 1803508110 BSCQRWAPHJYZEZ-DCTNLQOOSA-N 448.545 0.381 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1807194604 SUHFIRFLADYCBE-SFHLNBCPSA-N 434.500 0.866 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)CN1 1812639269 IFTLOIFGLXVGMU-WQMWYORESA-N 426.521 0.695 30 20 ICED Cc1c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1812877646 NMAWNEYEXHTXDX-YWZLYKJASA-N 448.439 0.134 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681931 AXSZFOUSBSFTGB-ADSRIYOHSA-N 434.482 0.271 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](NC)C(=O)O)n[nH]1 1817373335 WIDMVXWKGWCJGN-GJZGRUSLSA-N 435.481 0.974 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819953594 RMUYEPWGMKUBLK-IREDWKLISA-N 447.517 0.918 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196983 ODMUKZYULHNQIM-LJQANCHMSA-N 428.537 0.991 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN(CCO)CCO)CC2)c1 1829778406 IPCDPZNZTFPNBF-FQEVSTJZSA-N 431.537 0.406 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)c1 1829875244 QIKPWBPAXQWVMJ-QHCPKHFHSA-N 442.516 0.733 30 20 ICED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)OC(C)(C)C 1830054707 YKYYEHORICYMJS-NRFANRHFSA-N 438.525 0.859 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831035778 TWACINOHRAXRRR-HXUWFJFHSA-N 437.880 0.901 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 1831397502 RUOAYANVYKPEFK-UZUQRXQVSA-N 446.500 0.812 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831486454 XRDWJBLTUXIYNA-HNAYVOBHSA-N 426.539 0.765 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1 1831494162 YJRSGCMIOZXFQV-FXAWDEMLSA-N 438.550 0.900 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419680 NUJOSHTYINIAAK-PZJWPPBQSA-N 441.594 0.800 30 20 ICED CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833669640 AYUXTXUBWFETHW-UHFFFAOYSA-N 448.612 0.708 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1)CCO2 1833999101 JYULBEWMHXDXHW-QFIPXVFZSA-N 431.489 0.969 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)CC1 1834473910 JWMWUQJVBSBEQV-UHFFFAOYSA-N 431.464 0.864 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1835101565 HFOMTTYHOILOCQ-HSZRJFAPSA-N 438.484 0.550 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835123127 YYQPISBFRRLXAH-HNNXBMFYSA-N 428.537 0.938 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1835345732 XIXSBXXFNQNLCL-QFIPXVFZSA-N 439.472 0.945 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c1 1836072643 JROOEUFTTCGDMK-QFIPXVFZSA-N 439.472 0.871 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1836867558 BNAJAJWRSMCEBP-KRWDZBQOSA-N 432.521 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837091124 XGFZNZJROVMEAZ-QFIPXVFZSA-N 444.536 0.181 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1837397680 RXTDZTKCBYWQEA-VBKZILBWSA-N 438.550 0.677 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837446323 HKGNFVJIZAJGQQ-GWJNGDFSSA-N 431.493 0.329 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837449039 ZEZXSSUBOHFLSV-QVKFZJNVSA-N 433.461 0.346 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563357 XCQFEICQLZFQAM-HLESVKLYSA-N 434.493 0.022 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838513444 RYEMOLAIKUHAQZ-FQEVSTJZSA-N 429.502 0.960 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc(O)n1 1838736344 ZEZZXAVHXXOBBR-NRFANRHFSA-N 425.445 0.679 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(F)cncc4F)C3)C2)c1 1838737902 FANZEBZWHQJSSF-FQEVSTJZSA-N 431.399 0.943 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185906 PURSVYGSMKEBQH-IRLDBZIGSA-N 433.480 0.713 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1839227891 MOWPGVWXTGLAMF-HNAYVOBHSA-N 425.482 0.197 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)n1 1839362091 XEFPMXDHFZWPRP-QHCPKHFHSA-N 437.500 0.799 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422028 YSEPQEBFRVXKFM-OAQYLSRUSA-N 432.452 0.294 30 20 ICED Cc1ccc(NCCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840042395 SIBRFSUQBZXLLM-HSZRJFAPSA-N 443.500 0.650 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840164120 YJAIPGWHNNAZEN-RBZFPXEDSA-N 429.502 0.823 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC3)CCO2)C1 1840638982 UIBJQJDZDWQJLS-HTAPYJJXSA-N 435.521 0.769 30 20 ICED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847124460 OZCIQFSEHKFYMC-CQSZACIVSA-N 440.566 0.587 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cc1 410103658 CWXIZYQXXNPPHR-IRXDYDNUSA-N 442.563 0.455 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 410411842 VGACNOSVYSCCOS-QGZVFWFLSA-N 440.570 0.528 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)c1C#N 427588861 VDHXHFVUZUVKRL-UHFFFAOYSA-N 436.475 0.841 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 434427278 ZMKAHAJRAYLJAZ-UHFFFAOYSA-N 438.444 0.492 30 20 ICED COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)cc1 444592968 JNNZBKUKSXABDX-GOSISDBHSA-N 426.477 0.934 30 20 ICED CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1(C)C 447290174 JZQKDHIWHJTGHT-IIBYNOLFSA-N 429.452 1.504 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 467607416 JSPWQKGBTCXZNT-PWPWXDDWSA-N 435.531 0.291 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)COc3cccc(F)c3)CC2)c1C#N 477341217 SDKZCSYOSDWQLE-AWEZNQCLSA-N 428.468 0.972 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478737089 ZLUVBXAYBCBECV-INIZCTEOSA-N 429.546 0.895 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CCc2cccnc2)c1=O 478860915 ZXGULQFKIFLKLM-KRWDZBQOSA-N 449.536 0.780 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 480121322 RMMYDVGBMUXKMQ-QGZVFWFLSA-N 439.524 0.844 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 483370928 ZYAFFOSNHMWOJE-HOTGVXAUSA-N 449.533 0.303 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCCOC)CC1 491017314 GANOBZNIRGCJTM-UHFFFAOYSA-N 438.912 0.750 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 492148884 ZLPQMLFCPMKUQR-UHFFFAOYSA-N 437.518 0.915 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1 501383163 QUEJUJMLAOCZJK-UHFFFAOYSA-N 430.504 0.001 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2C)c1=O 501769744 IRMSVEKVOPMANH-UHFFFAOYSA-N 425.510 0.953 30 20 ICED CS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 502908159 ZQLYFXHPKMRIJK-CQSZACIVSA-N 433.490 0.574 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)nc1 505690171 NJUSUBZYELUCAJ-UHFFFAOYSA-N 438.513 0.374 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(N)=O 516119604 XBLLFPYNESTESP-NSHDSACASA-N 428.470 0.730 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 516678120 DUSHYXSPSGRGEW-FUHIMQAGSA-N 441.532 0.391 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 517860681 VFZOUJCADFTYLF-IRXDYDNUSA-N 431.514 0.964 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 521502633 XIRIKRFRIINLLN-GOSISDBHSA-N 434.518 0.419 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC=C 544728159 ZENIQQWHBRFXMD-UHFFFAOYSA-N 425.466 0.638 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 546156923 GMLFXIHWLSOJIE-BBRMVZONSA-N 438.506 0.045 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1=O 546779674 PPVDZCJRDMDRDU-IFXJQAMLSA-N 436.490 0.157 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O 550030547 LCPLXQABCHYYOV-HXUWFJFHSA-N 427.549 0.166 30 20 ICED C[C@H]1[C@@H](N2CCCC2)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558138072 RTPZCECESFDYPD-ICSRJNTNSA-N 445.589 0.950 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)nn1 558517539 GLPZSMTZEPITNV-CYBMUJFWSA-N 449.431 0.319 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)CC1 559311642 ZTBBENCONWYLLO-ROUUACIJSA-N 429.550 0.878 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 561472139 ZKBBKIFQPUYXTC-WOJBJXKFSA-N 434.581 0.925 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 561703822 FWRIOFFFNDTYAB-AEFFLSMTSA-N 438.488 0.232 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 575776378 JSFXWQPHUBFULE-UHFFFAOYSA-N 438.467 0.938 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 588812587 RQXGPQKEUXZYCP-YLJYHZDGSA-N 441.532 0.787 30 20 ICED CN(CC(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1)S(=O)(=O)c1ccc(C#N)cc1 590381847 LMJJQODVGGXDBV-MRXNPFEDSA-N 439.501 0.934 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c(C)c1 604269923 JGFTXRHVGYBKFH-UHFFFAOYSA-N 438.553 0.740 30 20 ICED N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCO1 609268739 YROIGWCPVYLMCR-MRXNPFEDSA-N 435.502 1.000 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 610289651 JDUKXVHMCDMNES-UNNPPQAFSA-N 426.448 0.697 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1 615628708 CNNOYCQEGXDNBO-LJQANCHMSA-N 437.497 0.415 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CCN2CCOCC2)c1 728538097 CSZWGVDWFINMFZ-UHFFFAOYSA-N 432.506 0.283 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OC(F)(F)F)c1=O 729671136 IWCDUXTZXRVTGL-UHFFFAOYSA-N 443.428 0.880 30 20 ICED COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 732153585 JDRBSQSYSPFULH-XOMICKMZSA-N 442.472 0.951 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)c1 747796806 FRMWCGKOEAHTTC-IGCAKMCNSA-N 440.547 0.422 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 747972763 IVULAQSVXKFJTP-UHFFFAOYSA-N 427.505 0.951 30 20 ICED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 757896553 GODXEMINDMQWNQ-GJZGRUSLSA-N 430.527 0.951 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(Cl)c2)c1=O 766590340 LOCDPEQCKFMNPK-UHFFFAOYSA-N 447.944 0.880 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 776472858 BBVJQJLFIHHSAM-NFBKMPQASA-N 438.528 0.641 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)cs2)c1=O 782600184 GLGXBYAPYHNTQT-LLVKDONJSA-N 441.962 0.925 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782909228 UUVYGVYKFSBCCD-JKSUJKDBSA-N 438.477 0.971 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 787069373 LENCNRUCPGNZTB-SFHVURJKSA-N 431.459 0.833 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 787560612 VGFSJFDHXMBSGY-HOTGVXAUSA-N 435.502 0.715 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(=O)c1C#N 791173304 PZLYGFJDBDFFCS-OXHZDVMGSA-N 449.261 0.332 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 793723857 NXHJPXDHUSXPQS-GOSISDBHSA-N 427.549 0.771 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)[C@H]1CCCO1 803453810 TXNZZIJTMZEOPF-WOJBJXKFSA-N 447.557 0.862 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1 806214365 HFLMBGCMPKTKBM-SFHVURJKSA-N 441.463 0.552 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1cncc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 813981377 NHBRUYWYPKADRO-NSHDSACASA-N 433.471 0.275 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 914994915 RIIPRKRIZKFBJL-LSDHHAIUSA-N 426.477 0.806 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOCC1 1303823104 JRPGQANKOKQSIH-OAHLLOKOSA-N 425.559 0.351 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1510292218 XTDBGUKWTJNENL-OALUTQOASA-N 436.538 0.194 30 20 ICED CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1518644701 NJQOYWVTCIKSFC-MSOLQXFVSA-N 448.549 0.854 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)nc1 1559975519 RHGILRUFSVTWBM-UHFFFAOYSA-N 449.558 0.379 30 20 ICED N#Cc1cccc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 1560713941 PTMMCAWSFFQSBT-UHFFFAOYSA-N 428.518 0.691 30 20 ICED COc1ccc(Br)cc1C[C@H](CO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 1661993040 UWIWJUHVKUCMFC-SWLSCSKDSA-N 448.339 0.667 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1696100366 ZXNHIZHISRZDFA-MLGOLLRUSA-N 432.403 0.337 30 20 ICED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1696343563 VZWXCORVFAGXMD-INIZCTEOSA-N 434.522 0.842 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1697000365 VLTHUNMZFBMVOO-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1747441916 XHLKXJJOFMZANV-UHFFFAOYSA-N 446.537 0.217 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)c(OC)c1 1748669973 OWYXFBKQYAKDNG-IIBYNOLFSA-N 428.493 0.758 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC(=O)NCC(F)F 1752282055 SQNFZJGGHRAUHX-ZDUSSCGKSA-N 445.478 0.989 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778592731 IYSUHXMFWWEFRK-NRFANRHFSA-N 425.493 0.455 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779017774 ULIBTMUSEMOAJY-XWRADEMYSA-N 446.508 0.613 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c(=O)[nH]c1C 1779063353 VXQHDQQDQJCVML-HSZRJFAPSA-N 442.516 0.529 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066339 QUZFEMPGFRVCOU-HSZRJFAPSA-N 427.501 0.527 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779180225 NAIZTNTXMRNDBV-QMHKHESXSA-N 448.483 0.610 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1779199195 DEPYUOBWDYTDAV-JMUQELJHSA-N 443.500 0.617 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)c1 1779416097 MGOVHUOVAKIYCJ-WTIAFYNJSA-N 442.516 0.336 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175569 PWNNAILFHYSJTR-QRQCRPRQSA-N 443.504 0.718 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@](C)(O)CN2C(=O)OC(C)(C)C)C1 1782054869 AOMOBQZJRJRADN-VQDLLJBESA-N 449.548 0.894 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1783048363 ZKCZRSDRSAJTHE-FDDCHVKYSA-N 442.516 0.981 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1)C(F)(F)F 1784805870 XMGDOTPRPJWAFD-IHRRRGAJSA-N 429.395 0.400 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1786859115 LYNDDTLKJGGESU-FZWBFHRNSA-N 431.581 0.588 30 20 ICED C[C@@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2NC1=O 1789262888 FQNHIOHATSCKCJ-OWCBBSPXSA-N 441.440 0.087 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1789891103 BWTOEWUKIQUWHK-XWSJACJDSA-N 445.516 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3-n3nccn3)[C@H]2C1 1790166580 YFZINFFIFXDGLQ-VKRLORBYSA-N 437.500 0.899 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1790879172 ZYFNNAIPCWHVBD-SRVKXCTJSA-N 427.370 0.856 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCC)NC(C)=O)[C@H]2C1 1792186350 WYORUQJCTOPKQU-VJANTYMQSA-N 437.537 0.780 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792717262 HMFYIBSJRQSHKT-DLRXZHIHSA-N 432.517 0.891 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1792838107 MYFGIUCKRNILRP-FAQVEIGNSA-N 440.887 0.538 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1 1792972242 DVDQHRSKHUNHKG-KMOPNRPKSA-N 436.505 0.675 30 20 ICED C#CCO[C@H](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 1793570588 QLBBPBDGDVMXGP-UYTYNIKBSA-N 437.537 0.939 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)c(C(F)(F)F)n1 1795999272 HSBDOPNAANUNIR-DRXBFXEBSA-N 442.394 0.184 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c1 1796354080 YXMJHKCCBSBCBY-CWPLJXCYSA-N 437.456 0.595 30 20 ICED COC[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 1796393375 ISTUFJFITRAORI-ZMMAXQRCSA-N 435.521 0.529 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797027473 XQMLARDNEYDZMU-SCAQPMJSSA-N 425.493 0.214 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797709901 FMFWBJOAPYZIFY-YHELAOLJSA-N 442.560 0.546 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742384 SICVJVZKLZHLFM-NVQCDVPGSA-N 429.525 0.338 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1801529796 HXYJUCDBABZBFF-RMFSNUHRSA-N 433.530 0.515 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1801907374 KVNCXAGBWYIZAC-DBWKPXFBSA-N 433.848 0.590 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1803544666 FZKLAPMAGFNKQC-OGWOLHLISA-N 437.456 0.928 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCS(C)(=O)=O)[nH]n1 1814440530 WSOPELMORZEENH-LZNQSLFOSA-N 437.522 0.695 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1)C(F)(F)F 1829717293 UHJYCQGCBFLMJM-KRWDZBQOSA-N 437.484 0.610 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1829766088 LFGPFVORDBKLLE-YOXWTLATSA-N 432.452 0.149 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1829771247 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C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837700583 TUHOMXGTKVVPJJ-ZHRRBRCNSA-N 426.473 0.319 30 20 ICED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CCN1 1838392119 LWLVEGXTMFLPEV-UPMNJHNBSA-N 447.580 0.983 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426905 JVISAOUTMQEMAR-HRAATJIYSA-N 444.492 0.600 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838740165 GXPFMLZPKBESSL-NRFANRHFSA-N 447.492 0.481 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905581 NJUIODQCWGIXKN-ZHRRBRCNSA-N 428.489 0.543 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1840081432 NGGLEUBJCPOPIR-JOCHJYFZSA-N 440.456 0.040 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=C)CN1C(=O)OC(C)(C)C)CCO2 1840251405 BGHBDEFFCAYTTE-HTAPYJJXSA-N 433.505 0.642 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840318862 FIJKPHYCCVUHQL-NRFANRHFSA-N 449.891 0.504 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1840322476 HAKMVZVZOMAZET-KSFYIVLOSA-N 444.488 0.740 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2)C(F)(F)F 1840648524 QAFRVGIHFNYGBB-LJQANCHMSA-N 441.406 0.974 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919071 SFWRSKVRTJTAFY-HNNXBMFYSA-N 437.541 0.357 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845199547 GAYGYNRGNVTWQD-INIZCTEOSA-N 448.568 0.889 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)COCCO)C1)C(C)(C)S 1845213449 PIKJOSFUAZVWNT-OAHLLOKOSA-N 445.582 0.800 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 24685872 ODDFNAJRVWUEHC-OAHLLOKOSA-N 428.536 0.109 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1=O 427499938 QAIHFUZGLBBFMA-GFCCVEGCSA-N 438.362 0.904 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 427687328 VHUJALKCXPZKRE-VHSXEESVSA-N 426.376 0.671 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2CCOC)cc1 463998684 SKESPLKXYZWVBR-MRXNPFEDSA-N 425.507 0.696 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nc(-c4nccn4C)cs3)CC2)c1C#N 472860499 HVIDVCOQKAIUGI-UHFFFAOYSA-N 439.505 0.745 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(OC)nc1 474328621 FUVKPWIUGGZUAZ-UHFFFAOYSA-N 433.493 0.811 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F 480998584 IRMIEFVQUOBIJO-UHFFFAOYSA-N 431.449 0.632 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 482844079 ZCASCTVRCXTPEC-RRQGHBQHSA-N 425.532 0.793 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 489289059 WCMROYIKEKNENQ-QGZVFWFLSA-N 427.548 0.791 30 20 ICED C=CCNC(=O)NC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 498073464 LDDZKOUFQCGPKO-UHFFFAOYSA-N 438.506 0.166 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C#N)cc1 498377500 VBCNNKRUQJAWGM-SFHVURJKSA-N 435.527 0.956 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)cc(C(=O)OC)cc2Cl)CC1 499000479 KRJKZIHPCNTDEH-UHFFFAOYSA-N 436.896 0.820 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1=O 501455619 VNCLKJRIMUYSCW-CQSZACIVSA-N 426.470 0.260 30 20 ICED Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1-c1cccc(C#N)c1 503014103 ZSJASALXTGSVNS-OALUTQOASA-N 429.502 0.280 30 20 ICED COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc2O1 532923705 RRKAAECKKMMJDX-SFHVURJKSA-N 425.445 0.944 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)nc1 533457896 JJQUTGFEPOZFPA-UHFFFAOYSA-N 439.476 0.964 30 20 ICED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 537259705 OAQFAQHVKQGMHB-NRFANRHFSA-N 444.555 0.677 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 540302354 PFDLBKJJMIOIEF-UHFFFAOYSA-N 426.481 0.676 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(C(F)(F)F)c1 543681892 CNGWBCPQNZGEBL-NSHDSACASA-N 426.442 0.771 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nn1 551738710 LRDRJSZNMRPOTP-UHFFFAOYSA-N 440.338 0.632 30 20 ICED C[C@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 552384544 GPRVKVVDCBRGCS-GUYCJALGSA-N 425.532 0.651 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCNC(=O)[C@H]3Cc3ccccc3)CC2)o1 567294921 KBBTZPWLYNUYGC-HXUWFJFHSA-N 436.516 0.937 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 584740692 HZGRUNGCMMEPMU-LJQANCHMSA-N 438.488 0.184 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCN3Cc4ccccc4C3)C2=O)cc1 585776224 SCERCAILKNGZMN-OAQYLSRUSA-N 431.496 0.907 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)c1 589160040 YWWODQXXUPGSEG-UHFFFAOYSA-N 437.452 0.929 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 590544935 XYZAQAJGPRKMQM-GFCCVEGCSA-N 442.505 0.982 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 615338972 WPYCSBXSAPTAHA-SFHVURJKSA-N 439.472 0.836 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 726669599 JMQVLVVPYBNGOQ-UHFFFAOYSA-N 429.454 0.726 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCOC 731352502 MDSGHFMQZNJFSH-UHFFFAOYSA-N 438.509 0.370 30 20 ICED C[C@H](CC(=O)N1CCC(CS(N)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742631122 UIDDLVPWOHEVBF-GFCCVEGCSA-N 428.536 0.031 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 747994084 XVDOKUSNEPRWKN-UHFFFAOYSA-N 441.488 0.083 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 761028929 LMEWYBVIUSBVNP-ZDUSSCGKSA-N 425.467 0.016 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)C[C@H]1CCOC1 762142543 UONBJYPSLNKUCD-AWEZNQCLSA-N 443.547 0.768 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2C[C@]23CCOC3)CC1 764653812 NBXQRURVSSHXDZ-UZLBHIALSA-N 433.486 0.361 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)cn1 765145739 MYUQOUWMLPZKEI-UHFFFAOYSA-N 438.513 0.849 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 773368228 DGUBNNQONRMEER-UHFFFAOYSA-N 432.458 0.299 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 796459283 PPGXBPJOGOYCOG-MRXNPFEDSA-N 430.454 0.321 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[C@@H](C)O)cc1 801290850 JUNOBDXOYVTOQD-OXQOHEQNSA-N 443.529 0.638 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2CCCOC)c1=O 802723176 CBMAITNEEQKXLN-UHFFFAOYSA-N 448.508 0.313 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 805717452 KRYCQATUHSCXHO-UHFFFAOYSA-N 444.469 0.447 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 807390674 KDZAVWQBBJYKKM-MRXNPFEDSA-N 445.524 0.889 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC#N)CC2)c1 812615779 MUBDUFDVTZKYQQ-UHFFFAOYSA-N 439.490 0.774 30 20 ICED COC(=O)C1CCN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 915649577 ZWZABWUOCWHZRX-UHFFFAOYSA-N 436.534 0.507 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916870378 IZRFDDKQPABQDG-LSDHHAIUSA-N 426.495 0.554 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)cc1 918261683 RPUYNUPISOMMLE-GBPUDXIESA-N 434.474 0.881 30 20 ICED N#CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919987653 ZWAKBNSHROXQIS-CQSZACIVSA-N 443.572 0.577 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1183154430 UQVIKWWKQVHYTB-UHFFFAOYSA-N 425.507 0.819 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1288808959 ZPKFFPLSYVHYNT-OAHLLOKOSA-N 439.586 0.739 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2(O)CCOC2)cc1 1302990141 ZOHIHFSDOYJJSZ-OAQYLSRUSA-N 426.477 0.439 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1cnn(C)c1 1303405632 XIOYQGPTLZJRAT-GOSISDBHSA-N 425.541 0.959 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 1313003927 MOHIBZBHSJPOAX-IRXDYDNUSA-N 435.550 0.782 30 20 ICED CN1CCN(C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)CC1 1327834898 WSVYGBWXHJNHGT-MKSIGINJSA-N 426.521 0.801 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2=O)cc1 1339189562 GUXHQJZSSPXASQ-OAHLLOKOSA-N 438.465 0.702 30 20 ICED N#Cc1c(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)sc2c1CCC2 1473264616 VSZIHHDJTNPXJE-HZPDHXFCSA-N 438.575 0.524 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cccc21 1538102916 LHWJDGGPXMLDDO-UHFFFAOYSA-N 428.470 0.899 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1547254429 SICGGAKYMRBTNA-HNNXBMFYSA-N 445.549 0.813 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1547601000 SXVKROJXXRSQHI-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1547859594 KRKAMTDHANVDFE-BMGDILEWSA-N 427.527 0.076 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1548318559 GJFRKXBUDOXLBI-AWEZNQCLSA-N 429.568 0.745 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)c1C#N 1634181715 RAIWFKVJAALHQZ-AWEZNQCLSA-N 446.533 0.222 30 20 ICED Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 1641205497 MHHRPTQUHQALOG-UHFFFAOYSA-N 430.486 0.996 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1705971667 ZUYNDASGMOLQOW-WMLDXEAASA-N 437.570 0.887 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1748135883 WXAXGKPCFNJRHF-FQEVSTJZSA-N 445.549 0.671 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778262010 OZRFEHQTTIQFOL-QHCPKHFHSA-N 443.523 0.317 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064564 DUWLDRINPJYJNS-JPYJTQIMSA-N 433.549 0.820 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779197938 RIVGAWJIESPMJD-DKYLXPRQSA-N 427.498 0.156 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780173995 LWKSAKIZAAUCOG-URXFXBBRSA-N 449.511 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)O)C2 1780741266 PTRFUXSMEKQWOW-FOIQADDNSA-N 442.534 0.828 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781056138 ZKEFNVQZDGLZQU-YDSTWLSQSA-N 433.549 0.790 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1782010000 DGWDLHVGOPOFTB-DNVFCKCGSA-N 425.485 0.303 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC(F)F)cn1)C2 1782010741 KAIGEZDAECJYPN-FOIQADDNSA-N 437.399 0.899 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782058821 IBASGUJUCAQVST-OAQYLSRUSA-N 429.546 0.794 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1784012769 BIWDGMJNHIGOHQ-MBSDFSHPSA-N 427.501 0.985 30 20 ICED COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1OC 1784845107 JKWBJMUGGRHIIA-ZWOKBUDYSA-N 444.484 0.704 30 20 ICED CC1(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1785709404 GRGCDENFYSHFDU-QFIPXVFZSA-N 449.504 0.551 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1788573933 VTTPKRWRSZTOIG-JAZQRGJZSA-N 436.597 0.175 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789273560 OOFJJEWZHONXID-XIRDDKMYSA-N 427.461 0.848 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4CC(O)C4)C[C@@H]32)c(C#N)c1 1789840121 YWFQDKCDWYUJEB-IJODMOHISA-N 427.501 0.860 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]31)C2 1790686111 IJYQRPLYUAKYFW-OVWQWFNUSA-N 443.504 0.516 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1792563971 HMFZEFJQGWARDG-SITFXYMJSA-N 433.534 0.285 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1792834512 QPJTYXPBSYLYGO-FAQVEIGNSA-N 429.904 0.904 30 20 ICED COc1ccc2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c[nH]c2c1 1793029906 FNRBWTKGFQVKDI-YEZVWNJWSA-N 425.441 0.397 30 20 ICED C#CCO[C@H](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 1793340506 XWRJALSYSXSHDD-HSFUPAIVSA-N 437.537 0.775 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnco1 1793567597 CLBOZUYTOOLDNL-IVSAIRAKSA-N 432.477 0.794 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(C)(=O)=O)C3)c(O)n1 1794489113 CVAKBMOITQCSDP-ZSBFGKGUSA-N 437.518 0.154 30 20 ICED 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)CC#N 1795084463 VNLJWHNGJYJSTE-RUPGSYKBSA-N 436.509 0.250 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)[C@H]1SC(=N)NC1=O 1795275847 USAUWFXEBXDYQG-OMVTVGPASA-N 440.525 0.430 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2 1795601128 UFXSQTNMQNKIHP-CCWDJLKJSA-N 442.495 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1cnn2C 1797086831 LZYGFNNWWXMJLA-VLTQWEFMSA-N 437.500 0.635 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1797710486 UPIYNFKPCDVQRD-DMUMMCEESA-N 442.553 0.219 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c2c1CCC2 1797742234 NBERIKPFZXJDBK-KXJCPHRKSA-N 428.537 0.584 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695716 GALPLBODMAOHKF-XUMLPFHTSA-N 435.484 0.908 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c(C#N)c1 1800032612 NHEMXSKPXOWTPM-YWNPBTLJSA-N 442.516 0.398 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cc1F)C2 1800774252 FQBZYOVDNKAIRE-YQYWCBKUSA-N 439.237 0.879 30 20 ICED C#CCCC[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 1804474271 VADZKYCLBMASQA-YVSFHVDLSA-N 449.552 0.990 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806634537 XZLVFXUESWTCEA-LNLFQRSKSA-N 426.521 0.648 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806922189 MDAGURJRRRSNAV-QDFBPKLPSA-N 439.516 0.568 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)ON=C(C)C)CC2 1819470437 FUWVZZGTGLWUIV-OHUAYANFSA-N 441.510 0.921 30 20 ICED COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819907218 MZBPGAWTKAACNH-VGJZUOFPSA-N 439.494 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825069511 SGJVFRXYZAETKG-TZNMXKOXSA-N 445.520 0.063 30 20 ICED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828310058 QLQVLEWSNFHJMI-PWSUYJOCSA-N 435.506 0.457 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1830061649 QEOHEZKLRBLZCW-HSZRJFAPSA-N 441.532 0.390 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CCO2 1830997781 NUUDKWRQDDHHQX-GSHUGGBRSA-N 435.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1831396503 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C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838051587 MUMMTIVGODWYAE-JLTOFOAXSA-N 431.518 0.860 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C)n1C 1838382356 VWMOPFCJAIPADA-HSZRJFAPSA-N 445.564 0.994 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)ncn4)C3)C2)c1 1838738160 UEJPBFPFAUVZBR-IBGZPJMESA-N 430.852 0.714 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cccc1=O 1838906469 LOUIPYPJVYXMPG-HSZRJFAPSA-N 436.468 0.641 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)C1 1839066127 WSJLTBZDMTVUDT-NFBKMPQASA-N 426.517 0.970 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839104399 QXNBRICESDKVOG-PQNGQFLHSA-N 448.608 0.847 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839874836 DOWNWHDGEOIAOK-UZUQRXQVSA-N 442.516 0.472 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1)C(F)(F)F 1839892919 KDWXGIFDYFYEQI-GOSISDBHSA-N 442.394 0.595 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1)C(F)(F)F 1839893433 UKQHDGOATXHBCF-QGZVFWFLSA-N 440.382 0.313 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)o1 1840042036 WXRVFQRPOFFBBM-QGZVFWFLSA-N 445.350 0.160 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840162961 LHPRQZMMGJNTND-ZKNHNOBHSA-N 425.551 0.162 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCOC2)CCO3)cc1 1840871391 GISVKFGQOHGOSY-OFNKIYASSA-N 427.501 0.984 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCn1ccnn1)C2 1847074439 VVGPNHAGGHUWKB-MRXNPFEDSA-N 430.509 0.788 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 16229611 AELFOMSEJWVCNI-UHFFFAOYSA-N 447.538 0.745 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1=O 25521820 JHRBFJAOHXLJAD-UHFFFAOYSA-N 443.851 0.417 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 29242715 PEJYLJPVLBTRIO-UHFFFAOYSA-N 430.490 0.832 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1N1CCOCC1 465418688 UTJKUMJHRNVNRZ-OAHLLOKOSA-N 436.476 0.256 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2CCN(CC#N)CC2)c1 472234531 RJSVFWXYHICVFT-UHFFFAOYSA-N 449.577 0.799 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 472981711 WEODYPHFINZBIB-GOSISDBHSA-N 441.467 0.973 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)n1 479366738 QKRGIIHJJPJZKJ-AWEZNQCLSA-N 428.514 0.378 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 480030601 OSWGUJKABBJFBR-UHFFFAOYSA-N 441.557 0.056 30 20 ICED COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(N)=O 480489318 VIIHFHNJTZBLFD-CYBMUJFWSA-N 446.485 0.414 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H]2CS(=O)(=O)NC)c(C#N)cn1CCOC 481434234 KFNAAKKZQBMLEL-AWEZNQCLSA-N 441.510 0.728 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(Cc2cccs2)c1=O 488989917 WVQDAAXDPWDSEH-ZDUSSCGKSA-N 426.523 0.862 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2cccnc2)c1=O 488990033 XPVZEMWPFGGTLV-KRWDZBQOSA-N 449.536 0.873 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)n2)cc1 491397414 BXIKFVFDXPEOLQ-CYBMUJFWSA-N 435.366 0.416 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n1 508301468 AAZRALNULKHYKG-UHFFFAOYSA-N 436.476 0.192 30 20 ICED C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508798516 UIYLLBDOIBSTAP-HZPDHXFCSA-N 428.559 0.477 30 20 ICED CC(C)COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 510861308 XRFGDUBZTHBXGB-UHFFFAOYSA-N 427.526 0.843 30 20 ICED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 514811723 AJPYHFNJVXVYCG-ZWKOTPCHSA-N 425.489 0.639 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 525778121 PYMRSWWJBBJGIQ-UHFFFAOYSA-N 440.525 0.103 30 20 ICED C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 533065373 IZLSJRWFHYZXLH-HIFRSBDPSA-N 427.548 0.287 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)c1 536343209 GTFNULCNMVZFFJ-UHFFFAOYSA-N 449.533 0.666 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 541491701 VBNBLDJHXYYRBP-KRWDZBQOSA-N 445.520 0.980 30 20 ICED CC#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)O 542858093 IOMDRCAPQLHMJI-JTQLQIEISA-N 430.280 0.784 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(-n4cccn4)cc3)CC2)c1C#N 550853396 JLYPUZVTBRMYCW-UHFFFAOYSA-N 432.488 0.751 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 553354402 QQJOTMSJFABUSA-GOSISDBHSA-N 446.467 0.532 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)CCO1 554971966 FLHSTCCHEBKSNH-HNNXBMFYSA-N 429.502 0.773 30 20 ICED CCC(CC)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 555900789 NAOFLMZCBOXHAO-HXUWFJFHSA-N 442.564 0.855 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1F 583604416 SFYYWGQSTDPZMU-CYBMUJFWSA-N 445.472 0.042 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 584307611 SWRKWZQRGMTUSZ-MRXNPFEDSA-N 434.500 0.882 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 588118041 WYKGDIGTVTYMPQ-UHFFFAOYSA-N 425.533 0.688 30 20 ICED CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 609914389 WQEPTTHJFNPSAS-HNNXBMFYSA-N 425.489 0.634 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ncccc3C(F)(F)F)c2=O)cn1 611222704 KVNWALVKOSKWRP-UHFFFAOYSA-N 448.430 0.778 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n(C)c1=O 611551994 YRNPDUPGJCMKSF-QGZVFWFLSA-N 425.468 0.455 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 612267506 AVIOZCNNTLAOJP-GCJKJVERSA-N 426.473 0.792 30 20 ICED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 616128690 MXFMYCLCPXIXFH-RDTXWAMCSA-N 430.486 0.911 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 619695066 VYCXKOCSYYGVRS-ZDUSSCGKSA-N 431.489 0.898 30 20 ICED C=CCN(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 658482360 UHJBPXFTEBTTLP-OAHLLOKOSA-N 430.548 0.908 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728719466 UDRGWWXCXFXFLS-ZBFHGGJFSA-N 443.909 0.769 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)CNC2=O)cc1 731106402 WYPWVQFOKSBAQO-PXLXIMEGSA-N 436.494 0.563 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)cn1 732564076 HTSQEOOIKYOLTG-UHFFFAOYSA-N 436.497 0.301 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H]1CCOC1 733718079 DSHFAUSCGAKOQF-JSGCOSHPSA-N 429.520 0.375 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C)c1=O 743728639 NCZBLUUUHHQKDJ-UHFFFAOYSA-N 448.570 0.463 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(C(=O)OCC)cnn2C)cc1 744633288 HOBVTQCMDHEKHI-UHFFFAOYSA-N 448.457 0.304 30 20 ICED Cn1cc(/C=C2/CC[C@H](C3CC3)/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 749006599 YRCQNMMFUJOZOJ-VUQDEQMTSA-N 438.484 0.338 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758472693 JEPUVUDGOVZIPX-NVXWUHKLSA-N 436.557 0.987 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)CC1 759015081 VNVDQVWAEKLEDT-OAQYLSRUSA-N 431.537 0.632 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 761022731 CYPXKBLCTTYVBN-HOTGVXAUSA-N 438.550 0.355 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775533030 LMHVCBYQELEULA-AFDUHFSSSA-N 426.495 0.935 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 783346361 FDAHZOBMPURKEG-INIZCTEOSA-N 438.506 0.643 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 783482124 VBCSAHDZMJSTDW-HXUWFJFHSA-N 446.573 0.804 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CC1 787069371 LENCNRUCPGNZTB-GOSISDBHSA-N 431.459 0.833 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)COc2cccc(I)c2)CC1 787313806 GWNFTSUXQCJBQQ-UHFFFAOYSA-N 441.269 0.564 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)n1 789787661 AYHNKNNUVHCFPD-LJQANCHMSA-N 440.456 0.459 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797511671 GFBQKTYJZDFUPG-VBKZILBWSA-N 437.518 0.993 30 20 ICED COc1ccc(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1C#N 808841512 SBOXWYQXFWFKRD-UHFFFAOYSA-N 436.515 0.648 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1=O 920486216 DSNXZRRLRQTRFV-INIZCTEOSA-N 435.525 0.738 30 20 ICED COC(=O)CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 921135095 PBKLSYROEUXUHE-CJLVFECKSA-N 438.506 0.897 30 20 ICED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1116643093 IVWRYEBQNBKGSV-CYBMUJFWSA-N 428.467 0.820 30 20 ICED Cc1ccc(N(C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)[C@H]2C=CS(=O)(=O)C2)cc1C 1307379291 WSCTZLJPLMANHN-KRWDZBQOSA-N 442.497 0.688 30 20 ICED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 1324381864 ROHWNCQOCBNYQC-UHFFFAOYSA-N 433.530 0.636 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1509955750 RNFOHMQIWLQDJH-CABCVRRESA-N 426.543 0.654 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1541928248 YKCRVYXLGDYWGO-SJCJKPOMSA-N 427.506 0.389 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1554370379 JZMUJAQJCZOWLS-UHFFFAOYSA-N 439.520 0.884 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1586932390 QHFHIANXFIPCAR-UHFFFAOYSA-N 445.501 0.361 30 20 ICED CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1611797522 SCKAZQITBDKGSP-HOTGVXAUSA-N 438.554 0.020 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1C#N 1634181785 UDGBGTSDMYFQJS-QGZVFWFLSA-N 441.467 0.062 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1696483703 OVZSOQZLANKHND-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS2)C1 1698313127 SYILKNUCJNLLIA-JKIFEVAISA-N 444.558 0.949 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1722555893 NFVSRCGVKKCLIM-CABCVRRESA-N 432.978 0.894 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1751193388 KFTGYFIMVIXERE-IFXJQAMLSA-N 434.522 0.548 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)[C@H]1SC(=N)NC1=O 1778077694 LBKQYHBJHFAZLH-POLYTFBCSA-N 435.550 0.853 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779018568 ALRZZYSFLPJIRI-VSIOZEBNSA-N 425.493 0.645 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360624 FYLLCENCPKIJSZ-XMZFUVPVSA-N 435.569 0.887 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779560651 YKQNJANEMVRFFO-GPMSIDNRSA-N 431.480 0.863 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337709 OTFHIUVGUDASML-MGPUTAFESA-N 433.465 0.173 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)ccc1F 1781301250 SRNIGPZHPRPGNF-OAQYLSRUSA-N 425.420 0.467 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781395870 CRBQKQLXUAAGMG-CFLQYTFWSA-N 441.481 0.112 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783046891 XJHLBTMLHSTPRE-HVETUWLQSA-N 435.521 0.458 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783197885 IYWJSVXWMWQLPK-INIZCTEOSA-N 433.502 0.888 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785518086 YYPBKEWEHNLPJT-MGPUTAFESA-N 438.481 0.186 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1785572258 LBXDNEKZDZOMAQ-QELKIZGKSA-N 435.521 0.504 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cccc(=O)n1O 1785632014 BMDDUTVAYKPBFC-XPLYWSEASA-N 428.445 0.391 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c1 1786571249 AUXWVSWBWYDLTF-QZHFEQFPSA-N 426.473 0.439 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032506 YIABCVKBPFDTBP-OYSPMZIOSA-N 427.505 0.896 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638173 VGHJCBHUWZYPTB-XLAORIBOSA-N 442.534 0.380 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789381107 AJQRSNWTGFBZRO-KNBMTAEXSA-N 440.456 0.711 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079037 XCURZIQPWNRMRN-OWQGQXMQSA-N 444.444 0.342 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1791260975 GWIKIUPJNYNKEB-HPZZRFSDSA-N 441.575 0.538 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1793380588 ZAJBXJAGNXUHJU-DLTLXFJOSA-N 441.575 0.643 30 20 ICED 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)CC#N)C2 1793489315 PUASNCNXFKBJPY-ONMISFSYSA-N 436.509 0.514 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837802 VQKQTYPYIIYTFR-IZZQQSIFSA-N 441.594 0.299 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412277 HYZFEUUVAVKXDA-JYYAWHABSA-N 446.504 0.806 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796046745 QUFLUIKBSJCICZ-QXCFHYIPSA-N 443.552 0.377 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445922 DJAWACSMHPCLAK-ANWFWMTQSA-N 431.514 0.767 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)[C@H]1SC(=N)NC1=O 1796881787 YLXRCLSAIDDQPL-YWCIHULYSA-N 434.566 0.899 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCSC(=N)N)C3)c(C#N)c1 1799237471 KYKMULNWNBEUAN-CWPLJXCYSA-N 445.545 0.716 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)cc1 1800433561 SFOKDOXVOWLSIY-AMVTXUCVSA-N 440.587 0.931 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2 1802124886 JQIXEDYXADHGFS-FCGDIQPGSA-N 449.548 0.919 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1803552877 IVCHHUVJZKNHNV-AYBZRNKSSA-N 431.562 0.610 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806848546 SWLATUHGHKCPBB-HNNXBMFYSA-N 432.525 0.098 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1808731149 PCSFPMXWWMMFRY-FUHIMQAGSA-N 430.505 0.996 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810326335 BMXABIONTSJBDT-AZUAARDMSA-N 426.517 0.874 30 20 ICED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810331758 QUCXZHNYAFCVCM-XMSQKQJNSA-N 426.517 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC)NC(N)=O)[nH]n1 1814437374 WMQIREULQBLDCB-JWINAJMKSA-N 431.497 0.707 30 20 ICED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672514 CVOKTOFMLVGWEF-KRWDZBQOSA-N 435.550 0.936 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1819467688 ALJQDIOZSKDMRH-PHYKAPGVSA-N 449.489 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)n2cnnn2)CC1 1823749351 JKRVPCFKMZJGAO-UGKULVSSSA-N 429.525 0.712 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536440 OJQPFHVPKORLFQ-WFASDCNBSA-N 431.518 0.885 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCNC(=O)c2ccc[nH]2)CC1 1825159200 JYKYOHPSTWCJEE-GOSISDBHSA-N 428.489 0.842 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1829769482 VCGWSLBQCLTBFA-SXQBJFQMSA-N 436.509 0.102 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1831386560 AIBZHNALZPEMCC-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671552 REESPVXCXUFAIE-ROUUACIJSA-N 436.461 0.189 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831981764 IWGLFAVEHNJMCS-MJRGOJFPSA-N 442.516 0.390 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832558536 YYDANNJFBVDDPC-GCJKJVERSA-N 435.521 0.863 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1833491482 NFCVKGPRIDMNHF-GOSISDBHSA-N 437.614 0.846 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834235549 PMCLCXMWBVXGNZ-QFIPXVFZSA-N 441.463 0.744 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834236127 QEROWNFPBFISLV-QRIYWZMZSA-N 435.481 0.019 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)CC1 1834398392 INXSAVFBVKWRAF-UHFFFAOYSA-N 439.582 0.143 30 20 ICED N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518709 GLNHSHZMGBEDLG-UHFFFAOYSA-N 436.560 0.450 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834856787 WMSJAWXXINHOFD-QFIPXVFZSA-N 447.463 0.649 30 20 ICED NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1835064863 VPJCZPAWXFIHSA-FQEVSTJZSA-N 431.968 0.549 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CC1 1835344817 XBNWGVHZQKVBMG-SIAOZKNOSA-N 442.472 0.212 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1C(F)(F)F 1835353651 AOPPKWAMYDVQST-QGZVFWFLSA-N 429.399 0.813 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1C(F)(F)F 1835357440 ZLZCWPRAEQZNBO-KRWDZBQOSA-N 429.399 0.813 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835499142 WGGXXZRWDNGCQZ-YWZLYKJASA-N 431.518 0.656 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988232 JJLINSSNTRFDPA-UTKZUKDTSA-N 435.525 0.610 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1836124171 NUYAOWVIKOAKLW-FQEVSTJZSA-N 428.537 0.038 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1Cl 1836135853 AUMUEFMCWOENFW-FQEVSTJZSA-N 444.879 0.573 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1)N1CCN(C)CC1 1836373070 VXFQZJDLMIBPNP-DLBZAZTESA-N 425.643 0.512 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)C1 1837147818 VNNWAFAKNSZESH-HSZRJFAPSA-N 425.485 0.966 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837397386 PTNBAXLNLABWEI-JPYJTQIMSA-N 446.548 0.932 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837398908 KWDPSENHGJJZHI-JTSKRJEESA-N 443.504 0.372 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837524231 CKUSFYVXMHYBGQ-MBIGCVILSA-N 447.488 0.991 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837533472 VXNQUBFASDHINZ-KYPGUPDXSA-N 441.550 0.867 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837665384 MUXRFRUIFPZBON-QHCPKHFHSA-N 436.597 0.683 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837874532 LSFJACLJMJUDKL-JLELOPKESA-N 433.465 0.076 30 20 ICED NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403633 BRFOHZSFNJTDBE-CPOKCXMASA-N 438.525 0.780 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474141 BIIDTHOCCOVAHX-OXQOHEQNSA-N 437.518 0.835 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362122 YRQNLXWTPJVWER-HSZRJFAPSA-N 442.516 0.595 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cnnn1 1839422245 KCLKUBXDYOBIRG-VBKZILBWSA-N 443.439 0.015 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453876 INEFHEXYSMBGTA-NRFANRHFSA-N 430.461 0.293 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839881750 IADIHECSZWCAEW-SEPYTNNBSA-N 442.516 0.908 30 20 ICED CC(C)[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840039697 DNNCNVQTWJVIIL-GGAORHGYSA-N 428.485 0.971 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c(C)n2n1 1840160494 IWSILSHWOOTTPE-AUUYWEPGSA-N 434.522 0.129 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840195100 OPPLKFWGCAIQIE-UGKGYDQZSA-N 447.557 0.671 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840378666 GAKVWZUPGKHHQA-LJQANCHMSA-N 439.538 0.336 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1841598607 RGWYIGRHKBBRJB-KRWDZBQOSA-N 437.496 0.843 30 20 ICED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nn1-c1ccccc1F 1846195425 ONPFDSGFXOPMEB-UHFFFAOYSA-N 426.404 0.925 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 29222863 CWXFQMWJSIAUAH-UHFFFAOYSA-N 435.550 0.286 30 20 ICED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 428257858 BZUVHHUXZSVEPW-OAHLLOKOSA-N 429.506 0.527 30 20 ICED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 438729588 BLXGYJCDUPBUHB-HNNXBMFYSA-N 430.552 0.505 30 20 ICED CCOC(=O)C=c1sc(=Cc2ccc(C#N)c(OC)c2)c(=O)n1CC(=O)N(CC)CC 442317676 BEQLJUDXHWBVJT-UHFFFAOYSA-N 443.525 0.831 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 443094340 OIJCTZAGEKQPGE-GFCCVEGCSA-N 439.437 0.549 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 446525339 XMYXUNHGZAPTEX-HUUCEWRRSA-N 437.522 0.643 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)nc1 460616038 CUJDAELKYLEFRV-UHFFFAOYSA-N 427.428 0.693 30 20 ICED CN(CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 465070923 FIOOYWSRWGUQHQ-HOCLYGCPSA-N 428.536 0.013 30 20 ICED N#CCCCOc1cccnc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 466617193 AFZHBDJLIAEGPH-UHFFFAOYSA-N 430.465 0.299 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 480688189 IZFIDKVNJRIQLO-UHFFFAOYSA-N 434.504 0.521 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1F 498089097 NREUQAUIJSGSLZ-UHFFFAOYSA-N 446.464 0.288 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 504802951 JIIMSQGPZFWQNT-SFHVURJKSA-N 437.518 0.843 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1OC 505698917 DUJKVESAGCTHDG-UHFFFAOYSA-N 437.525 0.979 30 20 ICED CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508334887 XSEGLEZNJWCFRG-CQSZACIVSA-N 447.521 0.513 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(C(=O)NC(CC)(CC)C(N)=O)C1 508972860 ZYCNVVGIKYVBTK-UHFFFAOYSA-N 429.477 0.514 30 20 ICED N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCN1Cc1ccccc1 511776851 OUAZKKGKWJVEQG-SFHVURJKSA-N 443.529 0.886 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 520419814 RPXHVFSUBSKWNF-UHFFFAOYSA-N 428.536 0.019 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CCN(C)CC1 525173276 JVFGHBSPVLUJLL-UHFFFAOYSA-N 437.525 0.306 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038300 RQWBNFQKOBQDTA-KRWDZBQOSA-N 439.537 0.846 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1C#N 533324854 SYVCGUCRYCKTSW-UHFFFAOYSA-N 431.474 0.774 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 537822523 FCKKFCNVPHAKNX-ZDUSSCGKSA-N 448.423 0.978 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545856362 FBEQPHICKMEMMN-UKRRQHHQSA-N 446.489 0.467 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 552566523 FVMNDIOWMCSYIH-UHFFFAOYSA-N 426.477 1.077 30 20 ICED COc1cc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 555058366 KPBSDSKHYKZBIL-QGZVFWFLSA-N 447.513 0.821 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 581960293 RFJFXUNVJHQDIC-DLBZAZTESA-N 426.521 0.801 30 20 ICED CN(CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 584075033 OVZKZBAEIHVDCZ-HXUWFJFHSA-N 441.532 0.475 30 20 ICED CCn1c(Cn2cncc(C#N)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 584082543 XQDUGIDGXHEHAQ-UHFFFAOYSA-N 428.474 0.554 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 584427810 OZFAAUJJQWYEQF-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 609340584 FKEJQOTUZSAPPB-UHFFFAOYSA-N 433.534 0.904 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 609461951 DIOFMJZKFQWURK-UHFFFAOYSA-N 428.536 0.328 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1C#N 619875553 QLOULLNZWIXAGG-KRWDZBQOSA-N 430.461 0.574 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)CC1 728536240 PLMRWZSJYSWIBZ-LJQANCHMSA-N 430.574 0.740 30 20 ICED CC(C)N(C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 729914400 INQZJVXYYYXAHI-UHFFFAOYSA-N 430.552 0.987 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 735479257 YNGJSLNNDPXXDG-INIZCTEOSA-N 442.545 0.447 30 20 ICED N#CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746207680 SJIXKKYZMJBQFL-HNNXBMFYSA-N 428.470 0.906 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 749034031 RALSHLGZTNCTPO-UHFFFAOYSA-N 435.488 0.822 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(Cl)c2F)c1=O 758050143 COQPGUJGWJDETC-GFCCVEGCSA-N 433.892 0.990 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094199 VQXUJHLGMDOZNW-WFASDCNBSA-N 431.898 0.531 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1cccc(C#N)c1 767681979 UMGRWWIGEAPZOI-AWEZNQCLSA-N 426.454 0.956 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)c1 769740874 IYJHMVHUHHQMLZ-UHFFFAOYSA-N 449.466 0.224 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2csc(COc3ccccc3)n2)c(=O)n(C)c1=O 771889200 IXMLNPYCXGXYGZ-UHFFFAOYSA-N 435.487 0.432 30 20 ICED CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C 772535815 UMPXAYMQZOACEJ-VBHMAFOESA-N 437.522 0.325 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)c1cc[nH]n1 772546756 JDDHITBPFGGZLS-UHFFFAOYSA-N 435.462 0.654 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)c1cc[nH]n1 772561001 NKAUHWRSXWXJRA-UHFFFAOYSA-N 449.489 0.550 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1Cc1ccon1 774545803 SUQHEZFANPNZCN-UHFFFAOYSA-N 449.492 0.104 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 780061647 SZMFBZRWNQSBFR-AWEZNQCLSA-N 447.473 0.578 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780206856 SPURJQJGMKCUOJ-BUXKBTBVSA-N 429.454 0.760 30 20 ICED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785211256 VVPPVWLPCIMOJM-GTMGWDBPSA-N 437.522 0.278 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)n(C)c1=O 786573136 ZVEUSZDDHROPDP-LBPRGKRZSA-N 444.398 0.127 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787778790 ROGPXLQSFLUVFQ-GOEBONIOSA-N 446.508 0.622 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 789115130 RYCWHUWSEUCBBR-DJJJIMSYSA-N 446.485 0.884 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 793203649 FJCCRCLFRDTHEH-CQSZACIVSA-N 442.475 0.498 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 794638277 CEHGHJVLIRTEHC-HNNXBMFYSA-N 437.481 0.742 30 20 ICED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 797412387 LDFQPQCCDUAZNO-UHFFFAOYSA-N 434.481 0.219 30 20 ICED C#CCN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 799088210 GRHFYSWWLUPTIA-AWEZNQCLSA-N 430.408 0.603 30 20 ICED C[C@]1(C[C@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)NC(=O)NC1=O 804554617 DFDBYEUNHBGMJN-ZUOKHONESA-N 447.517 0.485 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccc(C#N)nc4)CC3)nc2)CC1 808062540 QZGRTFSDWNFZIC-UHFFFAOYSA-N 427.534 0.611 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3[nH]cnc23)c1 811609782 OCJYMWKKMCMCKC-LLVKDONJSA-N 428.430 0.448 30 20 ICED Cn1c(=C(C#N)C#N)sc(=Cc2cc(I)cc([N+](=O)[O-])c2)c1=O 811725959 MMQLVYKDQDKIEX-UHFFFAOYSA-N 438.206 0.986 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3[nH]cnc23)cc1 811835214 VBQXMXRTLUWHRS-NSHDSACASA-N 428.430 0.448 30 20 ICED COC(=O)c1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821736028 USLDZBJLCSTPSZ-UHFFFAOYSA-N 431.426 0.694 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(N)=O)CCOCC1 917108051 QTGNOTIYJLLETC-OAHLLOKOSA-N 436.534 0.682 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 917134949 LWEPJDWGAYQPGT-UHFFFAOYSA-N 430.552 0.293 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 917182501 MJAZKFNBLPNMBR-UHFFFAOYSA-N 429.458 0.982 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(NC(=O)OC)cc2)c1=O 917194755 OTRDLKLQPWPRHF-UHFFFAOYSA-N 429.433 0.038 30 20 ICED N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CCN1C1CC1 1151626068 ZRTNUWOIFSIYNN-INIZCTEOSA-N 438.575 0.953 30 20 ICED CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1288986002 JCFYSCMUZOFWIU-UHFFFAOYSA-N 431.522 0.805 30 20 ICED Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1298840963 QRXMZWNHSCFVBM-UHFFFAOYSA-N 440.533 0.875 30 20 ICED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)OC 1301024018 VYEXOIUWEMRTGH-ILXRZTDVSA-N 430.531 0.011 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1301952671 LUCWKPVRHHQAHT-STQMWFEESA-N 432.572 0.451 30 20 ICED Cc1cc(NC(=O)CN(CCC#N)CCN2CCOCC2)n([C@@H]2CCS(=O)(=O)C2)n1 1319078502 OXVVTEHYNPPLNQ-QGZVFWFLSA-N 438.554 0.038 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2F)C[C@@H](C)O1 1347319236 CTDCPHFHVWTZII-GASCZTMLSA-N 441.529 0.687 30 20 ICED Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1510889300 PTZBSOJIDHXNAM-DNVCBOLYSA-N 434.497 0.678 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)CC2=O)cc1Cl 1544135235 ZGJWGJIOBSEZKN-OCCSQVGLSA-N 439.925 0.596 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1552735551 VYEYINUORSBNNT-MRXNPFEDSA-N 438.492 0.373 30 20 ICED CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1610982461 XRCLFLXGQUAIAX-UHFFFAOYSA-N 439.490 0.837 30 20 ICED CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1655076215 JTUFSHRERKKKFR-UHFFFAOYSA-N 426.289 0.630 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1692676776 UIERJRSMJSCHSR-LRAJWGHMSA-N 428.493 0.969 30 20 ICED CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1711521100 JWXNCIDLEAUYOR-KRWDZBQOSA-N 441.536 0.974 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1711917671 VPXORVAITHTJPF-VQIMIIECSA-N 433.490 0.232 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779106247 YWPLFSLLHHJVRM-XLKFECATSA-N 434.449 0.465 30 20 ICED CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1779831806 NAIWTIICVCVUSP-RETMYHCQSA-N 433.509 0.955 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168673 JIYFBQOEEYTPNK-HXUWFJFHSA-N 435.502 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cccc3C=O)C[C@@H]21 1783531000 CKVFIOUWSRXRNJ-HQAXBYDXSA-N 442.516 0.700 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1783855314 NXKQIYRMHSJLQX-WBPRVHLTSA-N 447.532 0.654 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1784008056 VMKZHEDWTKJZTL-PKTZIBPZSA-N 447.532 0.602 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389985 SANDAIRNFPWGBX-HXUWFJFHSA-N 433.534 0.425 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784536105 MIXZDDATDRAJRJ-DFEHZGFQSA-N 449.577 0.564 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365216 PXDMTVCEYGOBSG-BTYIYWSLSA-N 436.509 0.396 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1785429200 ALPXTEDSRKLQGB-QHCPKHFHSA-N 448.564 0.782 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nn1C 1788655333 BQPJSUDWQHVOIM-FIZPHTSVSA-N 433.509 0.851 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1788657777 HUWMNYFCVKLGNO-YCYHVSFISA-N 432.477 0.910 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)n(C)n3)C[C@@H]21 1789890287 LGPRDAOKIIPROK-WDSOQIARSA-N 432.521 0.760 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c1 1790227614 IPPDIXQPIXZAIS-YEWWUXTCSA-N 425.420 0.688 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)c1 1790269065 MRGCUIRSNBQRFH-SZMVWBNQSA-N 439.472 0.012 30 20 ICED CCOC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791078291 SPMFJFUHKCSAIN-BZSNNMDCSA-N 428.441 0.545 30 20 ICED O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791557399 JXTMSMDYDGEFJD-ULQDDVLXSA-N 447.561 0.575 30 20 ICED 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]n1)C2 1793594567 AXJZFHZCDNYZCA-LXTVHRRPSA-N 434.497 0.477 30 20 ICED C=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]1C=CCN1)C2 1793595487 OJLLRGWJMQEFRX-ADHGMGHFSA-N 434.537 0.573 30 20 ICED CCOC(=O)c1ncn2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)ccc12 1795083739 WUCKGLNSBODZMR-JLVBRIDZSA-N 425.445 0.628 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)[C@@H]2C1 1795412455 DWJZWBJUYLLSBE-TYTBLDAYSA-N 444.532 0.993 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796318079 ZVKDCGPDKRFWRC-BCIQNCSDSA-N 434.518 0.524 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796878854 ITDLSIQCEBZRKH-HAFSJTIUSA-N 436.534 0.936 30 20 ICED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)o1 1797747500 UINHPISUEDKBCE-QDLITJCTSA-N 448.476 0.970 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797987595 RXMOWGSYHFZYFM-PNBKFKSVSA-N 433.509 0.929 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1798422753 PCGBAYRLKFMVBB-ACDBMABISA-N 437.657 0.962 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799179729 WBBAWMHYULZYSG-PIBIMKELSA-N 439.560 0.326 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)ccc1F 1799327440 BBRJMUKTSIEVSG-KZVMSLLFSA-N 440.475 0.664 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 1800105969 WXLGLUIJVGUFLX-LVQVYYBASA-N 429.539 0.462 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801269163 SMIVLPLGHACQJK-IHSNIMORSA-N 430.505 0.614 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)n1 1801984235 JAORRNGMERZOBA-ALXJQNPVSA-N 427.505 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2noc(C)n2)[C@@H]1c1cccnc1 1802478782 VJUZXAUGSPAWKS-GUEKAFECSA-N 438.488 0.880 30 20 ICED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1804184608 BVUHQKSLKGXKMO-MUJYYYPQSA-N 442.541 0.893 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN(CCO)CCO)CC3)C2)cc1 1804946747 KCNWFWFWUVVYJV-UHFFFAOYSA-N 442.560 0.619 30 20 ICED O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1808949253 YPVOMQXCMGGUAT-KGVFTCJWSA-N 441.492 0.908 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809596760 ACJCIVJJPCZHFE-CBQOVEMMSA-N 429.565 0.926 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810278765 LAHZALZKQBQGPO-XRISMHAYSA-N 428.493 0.668 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284571 PWHUYYRPOVMIFQ-PKYUIECSSA-N 435.550 0.604 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)sc3C2)CC1 1815850843 ZJMXKGVDNGYDND-VIFPVBQESA-N 446.514 0.824 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(O)nc2O)n[nH]1 1818017715 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C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccnc1 1830981573 XVKCMQRHKFWTHP-NSAAROSYSA-N 449.508 0.430 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1831386559 AIBZHNALZPEMCC-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1831394048 SZVJTLPRTVYYMC-XQFWAAQXSA-N 429.517 0.224 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831986766 QXHDYJVFDMDNSO-KKSFZXQISA-N 426.510 0.766 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(F)cc1F)CCO2 1832141409 UKTMPNXGTYXBMP-ZZNNXKBLSA-N 434.395 0.522 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1832460614 BTXZGKCNNHNKIM-LJQANCHMSA-N 426.535 0.705 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833473602 YMWMYYWOEUIFSQ-QGZVFWFLSA-N 446.548 0.464 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833509364 FYMNZQWZFVTZMG-JOCHJYFZSA-N 437.456 0.741 30 20 ICED Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833543955 HFPNVGPINPMNSC-RXQHMNIESA-N 434.493 0.922 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834038973 SLCQMJDTVJNEKN-YQNSVDCASA-N 429.521 0.932 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2)c1cccs1 1834103353 PSKZCFGBCLNJPN-WUUFJKRQSA-N 430.486 0.980 30 20 ICED Cn1cc(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cn1 1834715582 BZRAYLKYSJWXSN-UHFFFAOYSA-N 443.596 0.816 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834735867 AOANEYZFFWZPLZ-INIZCTEOSA-N 429.512 0.362 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835056078 KSOCBBIVCZNPCY-ROUUACIJSA-N 437.585 0.578 30 20 ICED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1 1835064755 JEVMTHVBLOMBNR-NRFANRHFSA-N 426.565 0.348 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835124253 WMILABAIXMAITG-UWJYYQICSA-N 430.436 0.046 30 20 ICED CC(C)n1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835679820 AHPXLYAMVZZVCH-JOCHJYFZSA-N 446.552 0.816 30 20 ICED Cc1nc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1836554658 RTNUISIYBHSMBT-JOCHJYFZSA-N 449.471 0.850 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1837397834 WIZRMAHBWDJGPH-GCJKJVERSA-N 434.537 0.382 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837561429 KLAHIBHTIBDXFF-FFCJBUTOSA-N 428.445 0.569 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838905798 AGVHJEZGWKJOKC-HSZRJFAPSA-N 446.467 0.985 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1839085766 OTCNURYXNXLFLU-IXFSTUDKSA-N 444.532 0.538 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1839174039 BTCWEUFRNZXPTE-GCJKJVERSA-N 448.520 0.485 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1839174568 KEXQLRVSVVGBGV-BXKJMJEDSA-N 438.477 0.072 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1839421560 XSRUDHLYEIKPII-OAQYLSRUSA-N 441.419 0.164 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1Cl 1839872950 UJGHWZMTOVDVTA-BTYIYWSLSA-N 446.891 0.418 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1)C(F)(F)F 1839891599 NPTGTLWFKDIYLJ-ZIAGYGMSSA-N 434.333 0.875 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1840044794 YGRCNHRESMMBEL-OPAMFIHVSA-N 446.887 0.914 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840191473 ZSNFJNOLRODAFF-IBGZPJMESA-N 430.523 0.243 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC3)CCO2)C1 1840638984 UIBJQJDZDWQJLS-VGOFRKELSA-N 435.521 0.769 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)CCC1 1840815253 GDZHVFNPBYIDPJ-NRFANRHFSA-N 429.477 0.429 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1841298418 LEYOFQHKUBVWIO-YJCKXXIQSA-N 434.493 0.788 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1845960800 OMZMJSMQNUERES-AWEZNQCLSA-N 427.523 0.151 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 25165026 WTHOMGMEKXDXQH-KRWDZBQOSA-N 434.497 0.938 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 62087207 LEMVMRWAHNZASU-UHFFFAOYSA-N 428.470 0.834 30 20 ICED COC(=O)CN(CC(=O)OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 111209061 KQZIYDFDWMOVCP-UHFFFAOYSA-N 437.474 0.134 30 20 ICED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1N1CCNC1=O 427219763 ZTUOYCZLPUYJFL-UHFFFAOYSA-N 428.493 0.538 30 20 ICED COC(=O)C[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 441098202 BDYIMYPHLCXBJB-QGZVFWFLSA-N 434.518 0.419 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCOC3)c2=O)cc1 441922376 IMLJJKPERRZNLG-SFHVURJKSA-N 441.553 0.774 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 441964445 VPKYYVLGDOSBFI-ZDUSSCGKSA-N 444.538 0.145 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 442104503 BMTLJKKBOQQRGO-MAZHCROVSA-N 437.474 0.178 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCSC 443681664 MSQXUVNWCRTZEZ-UHFFFAOYSA-N 439.584 0.609 30 20 ICED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)no1 467143512 ZBOINYRJEDOGJT-UHFFFAOYSA-N 425.417 1.078 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)C2)n1 471885247 NVLSWIFQVLQJAY-WBVHZDCISA-N 433.534 0.240 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480802076 QKKYBUMFTIDINW-AWEZNQCLSA-N 442.563 0.545 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 480966433 QTLWBDLHYSPKBM-OAHLLOKOSA-N 447.517 0.671 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 488151207 XEOHCTZUKNSKAB-UHFFFAOYSA-N 429.523 0.005 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cc1 498423024 LYTXLXFSEPQVGK-IBGZPJMESA-N 448.483 0.663 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3c(N)nc(C#N)c3C#N)cc2)C[C@@H](C)O1 504190322 UUVBSDQTPPKWPK-CHWSQXEVSA-N 443.489 0.645 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 507735360 ZTSRNXNNEWINLE-LAUBAEHRSA-N 433.428 0.741 30 20 ICED C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 516699179 KJUFPUSXDYKWLN-MRXNPFEDSA-N 443.547 0.467 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 532097844 RYODOUZYTGWCJW-INIZCTEOSA-N 436.534 0.772 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1NS(C)(=O)=O 536925161 KYFMNIGDDOJFDS-UHFFFAOYSA-N 442.501 0.921 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CC2 541143079 HUFRVEMTHOCMLQ-CYBMUJFWSA-N 438.423 0.691 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545496378 BQKUABQHYJEKBV-UHFFFAOYSA-N 445.476 0.924 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 550113344 LKPWUDPTGNRRMO-MRXNPFEDSA-N 444.532 0.471 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 552884570 DMEOFBSBKHJOTA-LPHOPBHVSA-N 427.505 0.254 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1(S(C)(=O)=O)CC1 554284965 AJCJAVOOEFMNCG-CQSZACIVSA-N 440.547 0.540 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 556181453 SZVBXXGUVGYICP-UHFFFAOYSA-N 444.517 1.355 30 20 ICED C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 572138228 KJBNZWYJUFZOMZ-OAHLLOKOSA-N 433.538 0.766 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 579271796 LDMNAQDCQMKEGZ-INIZCTEOSA-N 437.422 0.482 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1C 618462279 RXJQYYOOJPBFCF-UHFFFAOYSA-N 440.525 0.274 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726200505 KQOAFAZYKARAHG-GFCCVEGCSA-N 441.510 0.073 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCNS(C)(=O)=O)C1=O 726414054 ZEVXITPZKASYHB-AWEZNQCLSA-N 446.526 0.841 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)CC1 728573744 UFGYYJQZHXREHH-AWEZNQCLSA-N 445.545 0.898 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(OCC)n3)CC2)c1=O 730257801 XFBWKARWSXKALM-UHFFFAOYSA-N 428.493 0.117 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3)cc2OCCOC)CC1 733150088 AHBQNZUYXPARIJ-UHFFFAOYSA-N 439.516 0.795 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)c1 742245407 GSLOBRDZWXXIGW-UHFFFAOYSA-N 443.481 0.878 30 20 ICED C[C@H](CC(=O)NCc1cccc(OCC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742768790 KRSIXRCERDLCDZ-CYBMUJFWSA-N 430.486 0.684 30 20 ICED Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 748830110 XIONSHAWZHHGAQ-UHFFFAOYSA-N 427.442 0.072 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCN2CCCC2)CC1 760784964 LVXMJQALHYTBEA-UHFFFAOYSA-N 433.578 0.745 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)N(CC#N)c1ccccc1 762942691 MSLDQMSMFPXSSZ-AWEZNQCLSA-N 444.469 0.552 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)(C)CN(C)C 763460506 LOGDWIJZAQWFBJ-UHFFFAOYSA-N 429.590 0.864 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccon1 765144982 DMTQGPMYOONYGH-UHFFFAOYSA-N 445.526 0.367 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1 767670733 KFPFHAUIKKPJGZ-CYBMUJFWSA-N 437.499 0.658 30 20 ICED CN(CCC#N)c1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 769463620 RLMGOKGHBWVMFF-LJQANCHMSA-N 433.578 0.457 30 20 ICED C[C@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C1=O 790354069 LZEJOPIQTIRJGD-QFBILLFUSA-N 433.490 0.470 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)cn1C 794050965 LQRBEBMDTOCNMG-UHFFFAOYSA-N 435.462 0.991 30 20 ICED C=CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800784991 CYSRVKYEAWILIL-HNNXBMFYSA-N 429.568 0.371 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cn1 801288832 MNFIHZXRAOBWGS-FQEVSTJZSA-N 426.521 0.315 30 20 ICED C#CCN=c1nc(N2CC[C@H](c3nccn3C)C2)[nH]c(N2CC[C@@H](c3nccn3C)C2)n1 804578823 KXIPFKAVBQLOTR-CALCHBBNSA-N 432.536 0.793 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1)C(C)(C)C 807534765 MEKPGSAYNUUACN-OAHLLOKOSA-N 428.532 0.608 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(-c4ccccn4)c3N)CC2)o1 815310149 MEFAFPWIOHESKM-UHFFFAOYSA-N 436.432 0.523 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770032 DTLSWVIJVSQNIT-UHFFFAOYSA-N 427.526 0.766 30 20 ICED CCOC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918263237 AIEKCQWWXOCXNU-CJLVFECKSA-N 438.506 0.897 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 920294477 KIFWEAHSSYHNRH-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED CN1CCn2c(CN(C)C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2C1=O 1155167646 NMJKMPMDJLUXEM-CYBMUJFWSA-N 441.879 0.900 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314941370 HYCHAOZCDXKCOH-HOCLYGCPSA-N 449.581 0.129 30 20 ICED CS(=O)(=O)[C@@H]1CSCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319071256 OGEWIRLKCAERLY-GDBMZVCRSA-N 436.515 0.709 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC34CCS(=O)(=O)CC4)CC2)o1 1320911656 WDFHCKPGQLUJTF-CQSZACIVSA-N 436.490 0.261 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN1S(C)(=O)=O 1505283081 VEGGQPIZBBUSSB-AWEZNQCLSA-N 431.522 0.375 30 20 ICED CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1516356431 ULNTTYRLILPQLR-ZFWWWQNUSA-N 435.510 0.459 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1517590163 JRWOPWOSGKKJJP-AWEZNQCLSA-N 431.522 0.423 30 20 ICED COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519123100 ONTMWRRXPPSIRU-HXUWFJFHSA-N 441.584 0.895 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@@H](F)C2)C1 1555813320 MOIHQROLCACKLK-FPCVCCKLSA-N 442.517 0.478 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c(=O)nc1O 1641034173 SQUCVVUHYBGXIQ-AWEZNQCLSA-N 447.398 0.843 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)C1 1712875818 IGFNTWUEALXUBD-RHSMWYFYSA-N 445.542 0.447 30 20 ICED CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1728218594 MZVNEZYSPKXWPT-HOCLYGCPSA-N 449.537 0.849 30 20 ICED COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729982224 NHPPBMNTIVGFCK-ZBFHGGJFSA-N 434.522 0.982 30 20 ICED C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1743362776 KPYTZMXFAIDXRJ-MRXNPFEDSA-N 447.565 0.523 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1766682804 VNHKQIZZODXHQQ-MRXNPFEDSA-N 432.506 0.203 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778954569 DLSVEASOPWMFLI-QRQCRPRQSA-N 445.495 0.777 30 20 ICED O=C(CCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCCC1 1779134488 IBTHSBIQRZSOSM-DHNIJCFSSA-N 430.505 0.931 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1779273762 FGSHUGFQGUVGHY-GSHUGGBRSA-N 435.521 0.812 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779554853 VIXCUAOOIPQBSO-WOCWXWTJSA-N 429.583 0.606 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C2 1780734189 NCHNDBKLJIEYFG-JBYIUTFZSA-N 437.537 0.924 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1781048492 SVKFZDMGWWBUAW-IVZHQMGZSA-N 438.525 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781650052 MYUDJGXRLFGUFF-WOCWXWTJSA-N 426.535 0.116 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nnc3ccccc31)C2 1782010829 GRAZJVYOHIMMCO-DYESRHJHSA-N 425.445 0.033 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782182580 WDRFKDZFIVRTJC-GCUGWZBJSA-N 430.523 0.313 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCC)NC(C)=O)C1 1783185003 YVJKFZXEKRRTPZ-IHWSYRDGSA-N 448.564 0.664 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1783564762 GBSOHZNMANYUKM-VOJFVSQTSA-N 440.378 0.061 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C[C@@H]21 1784483730 JNHRFJDYPHPDKL-NEPXVJNWSA-N 425.489 0.669 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888945 ALYRTGGOZBHFSH-PYTWLRIVSA-N 433.465 0.569 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5cccn5)C[C@@H]43)c2c1 1790328090 MIUUJXJFCXJQKB-IEZWGBDMSA-N 433.472 0.925 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1791268691 MRKWRMIFOXLONM-XSLAGTTESA-N 437.537 0.655 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792695495 YDZJLYGXXWVARR-VYCZESIESA-N 434.514 0.332 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1793345258 OUKKQFIYNDSIJD-NFFDBFGFSA-N 428.411 0.680 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1793876329 BRZXSLSQJUSTHG-MZZPOWALSA-N 447.488 0.133 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)c(F)c1 1794362218 UOMYSHVCPOJIGQ-KQLJBOCNSA-N 432.452 0.291 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974584 RZIUGDMXPCSYCJ-JLVBRIDZSA-N 429.521 0.822 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796392804 MJGRLHXAVKHTDM-SFNKJDCFSA-N 437.537 0.919 30 20 ICED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)c2ccccc21 1797170621 XYJSNTVSRYIFJY-CCWDJLKJSA-N 425.489 0.479 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1797646311 MCVMXEGRICMUNV-AVEIZBFRSA-N 427.567 0.672 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799145958 BHOZXSZPGIXNKM-LOVJFLGDSA-N 445.564 0.449 30 20 ICED 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#CC2CC2)C3)C1 1799195684 GRDGFBPJHVAJQL-IHEQNBGGSA-N 447.532 0.217 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1CCc2nc[nH]c2C1 1801268846 QOXBJUJRANSNKD-AYMMHLMVSA-N 440.544 0.803 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)ccc1F 1801734467 WKPYNFXCQIBFCX-REPLKXPHSA-N 432.496 0.165 30 20 ICED CCOC(=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 1802092642 NYFLOWJHGFZEQC-IJOJXHKHSA-N 439.509 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C(/C)C(=O)O)[C@@H]1c1cccnc1 1802497796 KFKMJUJBDAHSAU-PJNBLYAOSA-N 426.473 0.977 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1808691556 SGVZJIPGCQIHJY-AOIWGVFYSA-N 430.505 0.996 30 20 ICED N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1 1809744942 LXRZMYUVZNDBIT-UHFFFAOYSA-N 429.565 0.756 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810359859 CKGYOBQSQYVQAN-FHHVKZPOSA-N 442.476 0.492 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814206160 VYUJCZISBDSNHF-IKGGRYGDSA-N 446.504 0.315 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452309 JUVJYYYDWUCUDB-MGJNZBDHSA-N 446.512 0.771 30 20 ICED O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1822026673 OKFVQJPTYNWCON-GNFOSXPUSA-N 449.556 0.160 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758040 RJXSWYGCWPYCGV-DJJJIMSYSA-N 439.538 0.223 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1OC 1830060539 WVVXKLZFADGMBH-NRFANRHFSA-N 432.477 0.719 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456533 LGDIJSBLZWSELO-GGAORHGYSA-N 429.517 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1831396039 HKQIKHRFIKJCCM-JBYIUTFZSA-N 430.505 0.377 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831409208 NLDZDQFMVLTIMY-JOCHJYFZSA-N 443.504 0.782 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833291216 DHMJTRPZOBRJGR-JOCHJYFZSA-N 436.472 0.912 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710961 YTPJJTFKCKORSD-UHFFFAOYSA-N 437.566 0.029 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnc2)CCO3)c1 1834381794 ZFRCFNZXYYLJMS-QHCPKHFHSA-N 437.500 0.844 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834761352 ZARVOYFNXGSFPU-IIBYNOLFSA-N 436.509 0.613 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768664 IUMXZORZBNPZFH-PAODICLVSA-N 448.520 0.469 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4-c4ccncc4)C3)C2)CC1 1835340989 LRGRDFKMQYAYQB-QFIPXVFZSA-N 436.472 0.641 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341119 PBOHCRMNMFCBAH-YKSBVNFPSA-N 438.528 0.803 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835354556 NRZXGOQSPHBOFL-QGZVFWFLSA-N 427.383 0.869 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835403174 CDIGLLHTCDKIIB-QPPBQGQZSA-N 448.608 0.849 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H](N)c4cccnc4)CCO3)C2)CCC1 1835838109 KJBBGIWPEWKMMQ-PGRDOPGGSA-N 427.505 0.622 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1837392907 IRKXHVBGDCNYAU-DOPJRALCSA-N 438.443 0.329 30 20 ICED Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)ncc1[N+](=O)[O-] 1838141719 MXZHDGVGCAVWQU-UHFFFAOYSA-N 444.444 0.998 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478525 NLKSWYXLEWWHLL-QVKFZJNVSA-N 448.476 0.681 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4Cc5ccccc5CN4)C3)C2)c1 1838736204 PZBJYTQPTJNXSK-QPPBQGQZSA-N 449.511 0.671 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839224331 ISSWWTDBDAXZPP-FZKQIMNGSA-N 425.511 0.596 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nc(C(F)(F)F)c3)C2)C1 1839809012 NVCRQELNGWJFCA-GOSISDBHSA-N 427.379 0.812 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1839809983 XPFVJLNTKZHDGT-KRWDZBQOSA-N 425.283 0.194 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1)C(F)(F)F 1839895170 NANPTHYPTMLBIK-IBGZPJMESA-N 441.406 0.974 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)(C1)C2 1840006198 TXBVYBLJQDHFKE-HRTMPFAESA-N 442.472 0.300 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc4c3CCCC4)C2)C1 1840042405 SWNFNGQTZLMFMN-NRFANRHFSA-N 432.498 0.785 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840583318 HQRYNKJGUCPNLW-SFYKDHMMSA-N 437.581 0.889 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816524 YMWBQGHMOUCYDF-HTAPYJJXSA-N 428.489 0.999 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1846161593 XFUFWGFNPQSDMG-BZUAXINKSA-N 447.488 0.160 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 109980928 OXPLXBWENZTVND-UHFFFAOYSA-N 448.526 0.676 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 409552681 LYFBPWUTHNFAJK-ZDUSSCGKSA-N 443.551 0.321 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F 427769140 UYMXTFOHKPAAAQ-UHFFFAOYSA-N 426.451 0.914 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 428247997 RLSBTBUIMHXANR-UHFFFAOYSA-N 435.462 0.508 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 433502821 NEDASRZUFSRTFX-AWEZNQCLSA-N 435.444 0.981 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 433878150 FYVKMUDMBCCTFY-MEBBXXQBSA-N 427.280 0.977 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(c2ccc(C#N)c(N3CCC[C@@H](S(C)(=O)=O)C3)n2)C1 436349396 CKYJDNXLNFJTMA-HZPDHXFCSA-N 426.564 0.980 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1F 447271328 NENKWOXVGIBCIE-CQSZACIVSA-N 431.489 0.783 30 20 ICED CC(C)(C)[C@H](CNC(=O)CN=c1ccc(C#N)c[nH]1)NC(=O)CN=c1ccc(C#N)c[nH]1 467775899 OVGFFNZRRKTMSM-KRWDZBQOSA-N 434.504 0.235 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CCO)c2ccco2)CC1 469517997 XXJVZEJWKILIAI-QGZVFWFLSA-N 432.502 0.697 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 471992017 LWZQSOFNSXWUBK-UHFFFAOYSA-N 425.514 0.565 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1 479619737 XSOKBOURKOPFSH-QGZVFWFLSA-N 427.465 0.880 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 480446692 LLGUZQHCIZPFMK-LSDHHAIUSA-N 433.534 0.036 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCN1Cc1ccccc1 490512756 GRCOSWDKKRCJJO-LJQANCHMSA-N 435.488 0.337 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(SCCO)n[nH]3)CC2)cc1 490585440 NCGHWNCUZORTOV-UHFFFAOYSA-N 436.519 0.800 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](C)O1 490749824 DOZMOFIJQRYVCZ-HOTGVXAUSA-N 425.493 0.752 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C#N)c1cccc(Br)c1 496308468 XGPRUVZNEUKCJG-CQSZACIVSA-N 445.339 0.964 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508894715 LZQWKDIROYOYSH-OLZOCXBDSA-N 438.514 0.294 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c(F)c1 509668202 PZMMNZXPFIQPFH-UHFFFAOYSA-N 429.433 0.738 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 511873577 GISVXXNXRFHHFL-UHFFFAOYSA-N 428.474 0.860 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)cc1 521125279 JOYDRGRHUQHXCY-UHFFFAOYSA-N 430.490 0.772 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2OC(F)F)c(=O)n1CC(N)=O 538670167 RDBRLWODLYCYQX-UHFFFAOYSA-N 448.451 0.110 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 551000202 UXNNZVWIBDVHPZ-UHFFFAOYSA-N 449.533 0.498 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2=O)cc1 552590546 NRBBQCDREITZNO-IBGZPJMESA-N 439.516 0.684 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCCN(C)CCN(C)C 566939069 QAZGLSHSXCLEOT-UHFFFAOYSA-N 426.525 0.728 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 576428745 XGSBNNNXLYOKNN-OXQOHEQNSA-N 444.532 0.892 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 585715729 GDHXDMBZAHNQQJ-IBGZPJMESA-N 433.940 0.934 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 588658049 PUPOEPRCZVXRTN-UHFFFAOYSA-N 446.533 1.397 30 20 ICED Cn1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(Br)c1=O 589448806 IVHWKRFOONPRRZ-UHFFFAOYSA-N 425.264 0.936 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 728532737 IOJQNLUUIOMGLP-PGRDOPGGSA-N 444.532 0.610 30 20 ICED CCn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(CCOC)c2=O)cn1 732561328 MDAMGUIPDGJLLU-UHFFFAOYSA-N 439.545 0.642 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)N(C)C(C)(C)C#N)CC2)cc1 741007095 CNPIEGYIYCSCRK-UHFFFAOYSA-N 436.534 0.605 30 20 ICED C[C@@](O)(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 756314296 VTVWPHVKIPLPBD-HXUWFJFHSA-N 435.502 0.485 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 758596275 ZKVFYULDQJOUMY-HIFRSBDPSA-N 438.510 0.418 30 20 ICED C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 776093594 UXTPNNPSAFXMIC-UHFFFAOYSA-N 432.458 0.929 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782904426 BWAKIIAHWOAADV-CABCVRRESA-N 439.465 0.861 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1cc[nH]n1 789954414 GSMIPPXDXOLTTB-UHFFFAOYSA-N 431.424 0.817 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2nnc(S)n2CC)C1)c1cc[nH]n1 789976513 RDUXSZMEKDXQDH-GFCCVEGCSA-N 435.510 1.000 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 790303843 DCMSMNOPKKMXAB-UHFFFAOYSA-N 436.557 0.150 30 20 ICED Cc1c(Br)c(C)n(NC(=O)Cn2nnc3ccccc3c2=O)c(=O)c1C#N 791170803 CYSMWNGCYJUKTA-UHFFFAOYSA-N 429.234 0.975 30 20 ICED N#CCNC(=O)COC(=O)c1nn(-c2ccccc2I)cc1O 801416809 PCTJRXQTWBEUHY-UHFFFAOYSA-N 426.170 0.979 30 20 ICED C=CCNC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801507136 HDEDHYZPWHMKPN-UHFFFAOYSA-N 427.454 0.138 30 20 ICED CN(Cc1nnc2ccccn12)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808240899 YBCAMIHYOZIOMW-QGZVFWFLSA-N 431.456 0.477 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1CCN(S(N)(=O)=O)CC1 914899560 LYJNMRHWPZROCM-CQSZACIVSA-N 438.506 0.789 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1Br 1190314034 WMOAYLFRGXLZHA-LLVKDONJSA-N 437.341 0.657 30 20 ICED Cc1nn(CCC(=O)N2CCO[C@H](C#N)C2)c(C)c1CCC(=O)N1CCO[C@@H](C#N)C1 1254339522 YKENDKOYAMUJDC-ZWKOTPCHSA-N 428.493 0.325 30 20 ICED CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315054410 XTJMBSPPUANJHJ-UHFFFAOYSA-N 448.535 0.869 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318966685 VIBNFTADNVBVJE-INIZCTEOSA-N 426.477 0.171 30 20 ICED N#Cc1cccc(C2(C(=O)N3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1319521400 VFTDNNFYIVTLGJ-KRWDZBQOSA-N 437.543 0.251 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(O)(CN2CCOCC2)CC1 1319752689 KHRXMEJBXXIIOG-UHFFFAOYSA-N 426.521 0.836 30 20 ICED CN1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1(C)C 1321679778 NCCALUWENVJGES-SFHVURJKSA-N 426.521 0.905 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1321880634 WASDMFIKYJQRKJ-UHFFFAOYSA-N 433.534 0.912 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1330338713 RCORHQFODXMJIF-MRCUWXFGSA-N 438.488 0.995 30 20 ICED N#Cc1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1 1353770772 VTXBEDVLKOJLDT-UHFFFAOYSA-N 434.909 0.883 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1C#N 1468580522 TVSFQPUZXFIDMD-INIZCTEOSA-N 444.492 0.785 30 20 ICED CS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505145974 HJOZJASEAVPJDE-SFHVURJKSA-N 447.540 0.734 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1515957814 YBDXZDXJKJAVNX-AWEZNQCLSA-N 426.481 0.816 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(=O)NCC2CC2)cc1 1521102233 RNZAKZMXNVOBDP-QGZVFWFLSA-N 437.504 0.957 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1541804382 VIZCTRPVHVZJHX-RBSFLKMASA-N 429.568 0.743 30 20 ICED COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555289358 KAQSBQPETYOYTA-GJZGRUSLSA-N 426.543 0.824 30 20 ICED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557895327 KLMMWVPOZLVQGZ-KRWDZBQOSA-N 440.382 0.688 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1622033602 QOSMOAFYOXEUMP-UHFFFAOYSA-N 438.554 0.919 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1729310479 WBOWAULHNXVQGZ-UHFFFAOYSA-N 433.476 0.492 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCO1 1748213103 YKJJUWCKUAMCOX-JTBPQFFMSA-N 428.518 0.679 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1748292872 UMCFGPIQKWFWQY-UHFFFAOYSA-N 431.522 0.425 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1778974307 YBQHIJKESVXHOG-JTSKRJEESA-N 445.520 0.033 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779101591 OCTDQNGCDJKXSQ-YPPIZSGTSA-N 443.464 0.097 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104050 FKDGZEOZWONQRC-KNNTVDRYSA-N 427.527 0.362 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[n+]([O-])cc2)C1 1779943060 MOZVAYGSFBZLNR-XMSQKQJNSA-N 429.521 0.729 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781170925 FOUJGIKYNWRQJV-QMHKHESXSA-N 442.516 0.854 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c(Cl)c1 1781971540 XHUAQRXNPVVXGG-PZJWPPBQSA-N 448.907 0.306 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(N)=O)cc2)C1 1782864747 SBOMNNOJPBLMCW-XKDCRVNJSA-N 427.501 0.951 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1784012218 ZRVMVDWKOWXSGU-LTMIRXACSA-N 427.501 0.854 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCC1 1785368979 AEUGOACPPSDYTG-HXUWFJFHSA-N 429.433 0.280 30 20 ICED O=C(CCc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787043290 AYMWECSNFSLOCE-NLHDIRNGSA-N 428.537 0.861 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015054 NNBXZTQNVFXURD-UOVPBQLFSA-N 427.505 0.896 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1792170630 IIYZXCJNNKRMKK-IEZWGBDMSA-N 433.530 0.633 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792544888 IZEVYENHDOCZTD-DMUMMCEESA-N 448.564 0.588 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974712 XBJUGBQPUCMCIM-YYAJDYIMSA-N 427.505 0.598 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CO2)C1 1795083420 DQKPIIVDBMQCJW-XLMAVXFVSA-N 448.520 0.516 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795420081 YYVMWXXCRCOZJQ-ORDFZIBCSA-N 436.509 0.108 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796320555 KJZMPOVQCIPYMK-HIRMHNASSA-N 431.468 0.276 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)cc1 1796353578 LLIUVJQZSGFXCU-CWPLJXCYSA-N 437.456 0.595 30 20 ICED O=C(O)c1cnncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494883 YEZWOWKVSUJXRV-WYHFCXFFSA-N 431.449 0.956 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798499849 AVJDFUGFPATYLA-ZSIBESPRSA-N 425.482 0.769 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1799393300 XMUFRDOSZQUWKO-WISYIIOYSA-N 432.403 0.828 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408427 FALHZRQFTSLTPA-DFGXFYAUSA-N 448.524 0.337 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800783219 KIRRFBHQRRHPMD-YYAJDYIMSA-N 449.504 0.454 30 20 ICED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C2 1802096919 OAZVXNTXDMUVMB-BCDXTJNWSA-N 425.526 0.871 30 20 ICED 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)c1ncon1)C2 1802139518 AKOQSEAIKFQLBO-BGESOYAMSA-N 447.492 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1802480354 FTLWXDMGRHRJNO-FRWFVBGZSA-N 444.561 0.963 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803597261 BBLSXXUHKHHXSB-UAGQMJEPSA-N 444.494 0.767 30 20 ICED N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807055873 UCPOXZDPTKXHMU-AHGCKNLSSA-N 431.497 0.099 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1 1809684195 LFPMDAHPFKEKQP-SFHVURJKSA-N 432.565 0.509 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814807642 AEAPVZHAXZIEMR-KBPBESRZSA-N 426.502 0.833 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)ON=C(C)C)CC2)C(=O)O 1815085783 LWJAMZFMJWTKKB-NQBHXWOUSA-N 425.511 0.919 30 20 ICED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819947327 DNUBYBCZJMQIJG-NLTBIBMSSA-N 429.506 0.607 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831497210 AXEDFQUEHCVWJR-FYINFDKHSA-N 436.578 0.925 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833487851 BCBSIDKTTDXNHC-LJQANCHMSA-N 436.490 0.164 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833865238 NFJXGKNXLDSHDS-KKSFZXQISA-N 436.509 0.072 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834305902 GWCIEOJKQYUVOJ-QFIPXVFZSA-N 428.489 0.245 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1835357389 WIQAKPOGEYDEQI-QHCPKHFHSA-N 442.516 0.897 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC)cc1)CCO2 1835601474 DXMJYIXDZAXDES-UFTUAFODSA-N 442.516 0.657 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1835670277 XULFRLOUWOWTRZ-ZGXWSNOMSA-N 430.593 0.937 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835672662 GKVAUQZDUHMCEF-OAQYLSRUSA-N 448.524 0.092 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1835680048 KHAGLJCJBHIGSV-MOPGFXCFSA-N 445.564 0.925 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)c1 1836873089 UJGCZTZSEOZKEO-NRFANRHFSA-N 435.444 0.313 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837438930 AWIQGNRFBJBBAY-VQHJOYQZSA-N 434.493 0.241 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS[C@H]3CCCCO3)CCO2)C1 1837501539 LWHBKDBNGKWMKP-SLYNCCJLSA-N 440.562 0.741 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837526792 GOBMRXMSEVQBSE-KQKDOZOKSA-N 449.460 0.239 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838246000 CKKXCDKGNDMLLW-NRFANRHFSA-N 433.484 0.573 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CCCN1 1839122886 KBTCHHWXPHWYRJ-DHIUTWEWSA-N 426.517 0.965 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839866668 HXLYDKGHLNPFAR-WMZHIEFXSA-N 440.500 0.083 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)cc1C#N 1840029363 BSOFLELTNGOWBM-OPAMFIHVSA-N 431.489 0.796 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840233479 LKSSPMCMDSVHPM-KSFYIVLOSA-N 444.463 0.294 30 20 ICED O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262099 NOOUFOPZMPKJNK-UHFFFAOYSA-N 437.847 0.335 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841608985 BUGHUFHTPQVSOI-CQSZACIVSA-N 436.472 0.979 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 63656071 OLQMGNIEUUDWNO-CQSZACIVSA-N 446.547 0.574 30 20 ICED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409596677 LJWXFSUPMXCDKU-SJORKVTESA-N 442.925 0.641 30 20 ICED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C)c1=O 429802534 OGDQAXOZKANBCJ-AWEZNQCLSA-N 436.493 0.750 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 434762679 CEQCJBPOVYKBQM-QGZVFWFLSA-N 443.591 0.732 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)C2)c(F)c1 468803717 DCYLNJSZNRMNBO-ZDUSSCGKSA-N 448.480 0.188 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)n1 471823894 QUNOGZVFXLVGNQ-LJQANCHMSA-N 438.532 0.771 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1C 480529803 RGERMWJEYXBNLO-UHFFFAOYSA-N 430.552 0.140 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480966833 VEBFQJBZPYLYRH-ZDUSSCGKSA-N 442.472 0.739 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC 481789972 YNEKYXONTSQTQT-OAHLLOKOSA-N 426.491 0.954 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)s3)c(=O)n2CC)CC1 482551554 HGBVDLMMCMHARI-UHFFFAOYSA-N 427.555 0.530 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 485972969 FGOVYAIHENLKDA-CYBMUJFWSA-N 436.515 0.531 30 20 ICED CN(CC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 490893931 KSJOIADGSYZMHD-CYBMUJFWSA-N 432.424 0.706 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1=O 498863241 DVOLGBXRXLRUDY-DOTOQJQBSA-N 434.880 0.805 30 20 ICED CN(C)CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 499119915 WUQRFGHOGHFGDQ-UHFFFAOYSA-N 435.550 0.095 30 20 ICED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 500002227 RRRRHJINJLJLAW-ICSRJNTNSA-N 448.589 0.935 30 20 ICED CN1CCCC[C@@H]1CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 501137652 VQDJDKNKZPSTLX-LJQANCHMSA-N 433.578 0.807 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3C(=O)CCC3=O)nnc12 505906221 MLIANJVDQZHBAZ-UHFFFAOYSA-N 440.485 0.588 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 509387804 LSWNWQMLBBWWGE-JGGQBBKZSA-N 437.474 0.178 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 523082151 ZHCPZCKBGJYNKW-UHFFFAOYSA-N 446.485 0.502 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n(CCC#N)n1 532998679 OOBFSTMSHYDIOR-IAGOWNOFSA-N 443.552 0.692 30 20 ICED N#CC(C(=O)c1cccc([N+](=O)[O-])c1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 540465121 FQVMYGVSQQHPLK-UHFFFAOYSA-N 440.462 0.751 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542003827 NEHXVZROSBTDFG-NSHDSACASA-N 436.515 0.944 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 542094500 RPYJJDQUANBUFG-UHFFFAOYSA-N 433.917 0.784 30 20 ICED CN(C)c1ncncc1NC(=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 545488426 WLSPLKUCCKVPCK-UHFFFAOYSA-N 433.476 0.870 30 20 ICED CC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cccc21 545977065 NFYGRFJIINLIQP-AWEZNQCLSA-N 433.472 0.933 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 546707274 KPXUBMBHMAYOCQ-HNNXBMFYSA-N 436.490 0.158 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2=O)cc1 555809831 WRKCFOHRLRLSBK-GOSISDBHSA-N 449.515 0.452 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 556134694 ZDMXTEBAWXYYOT-UHFFFAOYSA-N 442.438 0.690 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561642073 IJZXFFFCXMVUFH-MJGOQNOKSA-N 434.468 0.283 30 20 ICED COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NCCn1cnc(C#N)n1 572170615 ZEJSSIRILNCEGD-UHFFFAOYSA-N 428.268 0.606 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 578826998 DCESWRTYQHGDBV-UHFFFAOYSA-N 449.504 0.360 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 582090183 NXGRSPCXAOXYFR-OAHLLOKOSA-N 425.507 0.862 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 590013912 DVJFEHOUOZEWIR-UHFFFAOYSA-N 448.527 0.864 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3sccc3C#N)cn2)CC1 590254406 GFOMSFFUWFTZTP-UHFFFAOYSA-N 434.503 0.674 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434493 XWAAFFVHTIICOT-UHFFFAOYSA-N 442.453 0.252 30 20 ICED CCS(=O)(=O)NCCOC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731690082 AXDNJZIMVAWICX-CQSZACIVSA-N 431.536 0.622 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 731863313 UBJBKLJEWHLAGA-ZJYNUGOYSA-N 448.501 0.400 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCSCCCO)cc1 737288672 ALKPFQMPQUFZTA-LTGZKZEYSA-N 442.563 0.670 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 743889057 CWFCHPRAJHEIOD-UHFFFAOYSA-N 430.480 0.933 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1C(=O)OC 743896799 MYUOLNFTQVGOOB-UHFFFAOYSA-N 425.401 0.693 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1C(F)(F)F 743901768 OOVPCIVTMIPEOY-UHFFFAOYSA-N 434.396 0.294 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)n(-c2cccc(F)c2)c1C 745471210 XWRGWLKQYLWKPP-UHFFFAOYSA-N 439.407 0.977 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)cs2)CC1 752590131 AKVGTYVIMSAFOV-UHFFFAOYSA-N 438.487 0.915 30 20 ICED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 753230742 JZENWUAMKJGCNZ-UHFFFAOYSA-N 425.482 0.205 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 754423411 RSXMZVMGXXXFQU-UHFFFAOYSA-N 430.889 0.024 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CC1 762166774 DKIWJNSPQNVSPK-UHFFFAOYSA-N 448.589 0.827 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2nnnn2CC2CC2)C1=O 769748953 HFLJKNYVMBQIKL-GTOLFZDISA-N 428.522 0.657 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccc(OCc3ccccn3)c2)c(=O)n(C)c1=O 771893216 XVHGDRGKIBYFFE-UHFFFAOYSA-N 429.458 0.370 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774512641 XXFPHFOXNNEICL-UHFFFAOYSA-N 434.521 0.786 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NS(=O)(=O)CC(C)(C)C#N)CC1 776142613 HEHJEKVSMLOKEG-UHFFFAOYSA-N 432.524 0.688 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)cc1 778810766 OVNHGTJIMSLMJJ-IVXBMDAGSA-N 444.517 0.766 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)n1 787435471 YIWOINSBABWMDJ-UHFFFAOYSA-N 438.532 0.667 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOCC(F)(F)C2)cc1 808958254 YULGNFLQFCIRQH-JCMHNJIXSA-N 444.460 0.932 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 809205042 HSECNZJUWUYGJB-LJQANCHMSA-N 449.489 0.658 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 916870921 OROQLGPUCVZRBX-OAHLLOKOSA-N 439.490 0.191 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 919132780 XWXRILQZZBOPNL-TXKKKEFDSA-N 425.511 0.561 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1318211306 XNJPHLGDIKXASD-UHFFFAOYSA-N 430.461 0.911 30 20 ICED C=CC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1320264314 BFLUSIVHGWIBBL-ACJLOTCBSA-N 425.463 0.536 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1323174704 OKJPZHIJIZHIES-UHFFFAOYSA-N 435.483 0.698 30 20 ICED CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1359640068 ZTEOYHSWPOKOML-UHFFFAOYSA-N 439.520 0.884 30 20 ICED N#Cc1ccc(NCC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)nc1 1557593704 KKIJMKIDVKRCHN-UHFFFAOYSA-N 428.518 0.488 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1611333464 URASACRLOSUVGS-AWEZNQCLSA-N 431.522 0.552 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 1655332099 OOHWCVKFGBATDW-UHFFFAOYSA-N 440.956 0.490 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1664280420 MPLFPTOWFROVDA-ZBFHGGJFSA-N 442.538 0.110 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCOCC1 1692766019 SOXGWTYUEAIVIO-HUUCEWRRSA-N 427.575 0.737 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCc1cnn(C)n1 1692785422 LTMWVDTVWWAIJG-CQSZACIVSA-N 435.558 0.780 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1711073369 VPWHIWVBTFEYQM-MRXNPFEDSA-N 431.522 0.629 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1722478122 PPHMSUBINGTTAV-MNOVXSKESA-N 436.332 0.796 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1748443383 YAWFMXSRQJJBHT-XHSDSOJGSA-N 428.559 0.878 30 20 ICED CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1767803131 ZZOKGYSAQWZBIK-HNNXBMFYSA-N 432.492 0.853 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014650 HBKPPVXBEOLPLC-ATASCALFSA-N 426.539 0.194 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779106845 MHLUFNLIMYGCIH-QNZROTIXSA-N 431.493 0.802 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1781785026 PDNSXBMXFXGQHO-HSZRJFAPSA-N 436.468 0.511 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1782184030 JCDYMMKEMBKUTO-WAWZGNHOSA-N 431.518 0.535 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1783054023 QUQPVCHYUOAGCI-HRAATJIYSA-N 431.493 0.309 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@H]43)C2)C1 1783643086 QCXYJVBAXCXITI-UVELEOGVSA-N 447.532 0.722 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783677643 WUMRLHCCEJJCLT-VGWMRTNUSA-N 438.525 0.401 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1785423838 FSDBNMHXMHHSLC-INIZCTEOSA-N 442.257 0.871 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)c1 1789255988 HRUIVCGLOBGQHG-LPWQTFTOSA-N 440.500 0.686 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1790228473 SKTGYZCBGXCNRV-ZVZYQTTQSA-N 440.431 0.216 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)no1 1790328846 ZLSSDODEIJWIJU-ZVZYQTTQSA-N 449.471 0.962 30 20 ICED C#CCCC(=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 1792175513 YQYYICVVWGZBKG-DWKCODDLSA-N 449.548 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2 1792490629 JQIVWKJWGYAJNI-VQICEPBWSA-N 441.463 0.535 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1792568527 COYKSWBHQBLTQZ-FYVVFRBKSA-N 443.460 0.253 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262532 WPSZINRCWOMRKP-HEFCWWFNSA-N 427.476 0.947 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793869133 PZANPKNNBYTPAL-BKEDOTJMSA-N 445.541 0.971 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(O)c1 1795599447 JPWBMAGNGMKEPP-CCWDJLKJSA-N 430.505 0.886 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796419529 KOPDJGGZMVIACN-YVWYUNDQSA-N 448.476 0.411 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796456590 YJRCWEGQRBGYGQ-BQSVUJTJSA-N 430.480 0.696 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2 1798644572 YGRDUUTZWGNKCK-YYAJDYIMSA-N 438.488 0.837 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1800183259 HMFSLSMJGZWQQV-CWPLJXCYSA-N 448.976 0.765 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994249 FRZPMMGMERPWEN-FHTPNYMGSA-N 445.472 0.142 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802477518 OVNTVTPKAZJASG-RZWOQVAPSA-N 439.516 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)ccn2C)[C@H]1c1cccnc1 1802488761 ZSBJNBFNNRDSTQ-YRTIDYAOSA-N 449.511 0.958 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695154 JNGXQDCDUBDHFY-BKFSJXKRSA-N 428.537 0.282 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810354222 NPNVHYPGCWSKFT-LZNRXBQRSA-N 438.488 0.252 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNC(N)=O)[C@@H]3c3cccnc3)c2c1 1814227163 AHROQSISEMWWFQ-QRWLVFNGSA-N 446.471 0.817 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814809155 CUTNTSAITISHIP-FZMZJTMJSA-N 444.492 0.972 30 20 ICED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCN2C(=O)OCc1ccccc1 1829040875 MNVBIRRZIRMQIW-CVDCTZTESA-N 437.500 0.880 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829490299 XBRHJONFTBLCIV-RMUOZIPVSA-N 448.907 0.663 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)cc1 1829900850 QCZROZNHZDOFEM-HSZRJFAPSA-N 437.452 0.824 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)C1 1830464732 SEMRYDUVEYIBPT-HSZRJFAPSA-N 426.517 0.509 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1831393083 USNQFHGPCVKVTA-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831399133 PSGQMXJMBLCVGR-JPYJTQIMSA-N 425.485 0.861 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831406791 FIGZTJWKDPBFHF-HXUWFJFHSA-N 440.928 0.976 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831434889 IDCWJDWQIQQLGZ-HTAPYJJXSA-N 443.504 0.699 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831477777 DJHWXMJANJHIIG-HSZRJFAPSA-N 442.516 0.737 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831489662 FKTNBSVZWACGMB-AZUAARDMSA-N 440.585 0.694 30 20 ICED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](S)C(C)C)CCO4)C3)(C1)C2 1831497535 DNPOTJNVRAVHGJ-VWNGAAMTSA-N 440.562 0.741 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831499567 WNVDPGXVIRSVAT-CJNGLKHVSA-N 441.472 0.076 30 20 ICED Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1C 1831975411 KBVNRHPBGRXFRG-OAQYLSRUSA-N 433.509 0.643 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833493330 JBPJVKMYZBSKFW-GOSISDBHSA-N 433.640 0.947 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705218 DEFVSLWOVVJQSY-FDDCHVKYSA-N 430.501 0.899 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1)C(=O)O 1834740398 KAXYBSDPXCECDE-FUHWJXTLSA-N 428.599 0.575 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834880114 RYXAPGWZZJNVFN-PLNGDYQASA-N 428.537 0.313 30 20 ICED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836823563 JXZUAYLWPZYDKT-UHFFFAOYSA-N 427.438 0.123 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837393147 LLDZIHFADOEZRQ-SJKOYZFVSA-N 426.407 0.916 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1837447540 QKDZANJOWRUFKW-VYLNLOBBSA-N 430.908 0.839 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn(C(F)F)n4)CCO3)C2)c1 1838036432 JRUOKUHNWZXHHY-IBGZPJMESA-N 434.403 0.862 30 20 ICED NC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1838073944 JAKBNKCJDYOCEA-IDOMTICXSA-N 434.562 0.772 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)c1ccc(F)cc1 1839039523 LVHZFMJDCGVQOX-CTNGQTDRSA-N 432.452 0.373 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)CCO2 1839185881 PJJGHALEXXLWNW-HTAPYJJXSA-N 435.521 0.936 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839838807 OHKQAHDBDRVXRL-JTSKRJEESA-N 430.505 0.480 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc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n1ccnn1)C2 1847080869 KWTJAKAHRRDXHQ-QVKFZJNVSA-N 430.509 0.951 30 20 ICED C=CCn1nnnc1SCc1nc2sc(C(=O)OC)c(CC(=O)OC)c2c(=O)[nH]1 108754581 PFPXLNOZZWKXIU-UHFFFAOYSA-N 436.475 0.952 30 20 ICED N#CCN1CCN(C(=O)c2ccc(C(=O)N3CCN(CC#N)CC3)c([N+](=O)[O-])c2)CC1 426883736 PTZLGGMCYJRJQU-UHFFFAOYSA-N 425.449 0.158 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 435709077 MVZKXTHCIDIVRL-UHFFFAOYSA-N 437.518 0.682 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C#N 438249072 VBBXZYQQBCMMRX-UHFFFAOYSA-N 444.473 0.387 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 440259633 LQGOUKUTRCSOLF-KRWDZBQOSA-N 434.518 0.655 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443325557 XOJSWTQTJBCPKO-LBPRGKRZSA-N 434.396 0.936 30 20 ICED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)n2C2CC2)c1 447494405 WWFFFZFGEMQXFP-UHFFFAOYSA-N 430.490 0.411 30 20 ICED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460708165 HRPQPLMFVUDYLB-SJORKVTESA-N 438.488 1.164 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 463632654 ZHTIHTXOQWGMCR-UHFFFAOYSA-N 447.499 0.172 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n(C)c1=O 471030133 SITQEDTUWFQOTQ-QGZVFWFLSA-N 441.923 0.970 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 474587307 SCOIMWPKGCPOJV-HXUWFJFHSA-N 426.477 0.217 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 478640719 WYOXDAJCJCFHEZ-UHFFFAOYSA-N 437.460 0.776 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480924115 FSOMGXNEWDWVBZ-UHFFFAOYSA-N 440.456 0.447 30 20 ICED N#CC1(c2ccccn2)CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 516493293 RBTNOXDZOORCCK-QGZVFWFLSA-N 439.497 0.918 30 20 ICED C[C@@]1(CNS(=O)(=O)c2cncc(C#N)c2)CCN(S(=O)(=O)c2cncc(C#N)c2)C1 518843146 XKXYEFVZPLSJPX-SFHVURJKSA-N 446.514 0.599 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 521103029 SWLOFRQRZYCQMK-NHCUHLMSSA-N 446.511 0.930 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(N)=O 524282147 SKBSUIOMEPVCHM-UHFFFAOYSA-N 448.932 0.476 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n(CCC#N)n1 533457889 IDKRZFHSSSMABR-UHFFFAOYSA-N 441.467 0.966 30 20 ICED C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCCCC1 533480118 CKRKIYMOWOPZJN-KRWDZBQOSA-N 447.561 0.382 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 543369256 XKDMDIXXYRPWBK-BEFAXECRSA-N 441.513 0.927 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 543369259 XKDMDIXXYRPWBK-KXBFYZLASA-N 441.513 0.927 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 546001797 JJTVPSJLATWIAZ-UHFFFAOYSA-N 437.460 0.150 30 20 ICED Cc1noc([C@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 552268354 GCDCSUJJRIJYIC-QGZVFWFLSA-N 444.517 0.920 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[S@@](=O)C[C@@H]3c3cnn(C)c3)CC2)o1 553919647 XCUMVAWFEPQACO-BJLXPSRBSA-N 431.522 0.042 30 20 ICED C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 554255995 HXQCASMKKHCTST-UHFFFAOYSA-N 437.566 0.571 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 555721856 IOULBEBDVOCLKD-UHFFFAOYSA-N 442.497 0.512 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 557299321 PYQVUMOZROLVRF-UHFFFAOYSA-N 447.967 0.871 30 20 ICED COc1nc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)ncc1Br 565320912 HBISEIMJTOGOCW-UHFFFAOYSA-N 436.274 0.243 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C 566564830 XCBVZMDILHIQEP-HNNXBMFYSA-N 443.485 0.836 30 20 ICED Cc1ccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1S(=O)(=O)NC1CC1 568818916 XDLPYBCRUVXDIF-UHFFFAOYSA-N 430.490 1.432 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2=O)cc1 571428842 WSACWNWSBFEPJL-IBGZPJMESA-N 433.468 0.628 30 20 ICED COCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1OC 671998572 QVXLDUOCYCSHKA-UHFFFAOYSA-N 437.474 0.669 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 728536142 LPNRVZUQQXWOTA-ZHRRBRCNSA-N 431.537 0.017 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CC(=O)Nc2ccccc21 729540253 ZNDZBOONRMVAJB-CYBMUJFWSA-N 442.453 0.754 30 20 ICED C#CCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 733161253 OCZZTZSARYQSAU-HXUWFJFHSA-N 435.546 0.928 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742798462 NWDOYKWJJKFFAA-CQSZACIVSA-N 430.490 0.079 30 20 ICED C#CCCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 744366116 BTYLFGDSKNKQBI-UHFFFAOYSA-N 446.573 0.467 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 746363081 KYSWKLQPSAGFMQ-UHFFFAOYSA-N 436.881 0.532 30 20 ICED N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747227716 WSRXPHWUBPPSEK-LBPRGKRZSA-N 438.453 0.611 30 20 ICED C#CCN1CCN(C(=O)CN(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 748810515 UUAPVEOPHVJFBZ-UHFFFAOYSA-N 427.549 0.561 30 20 ICED Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 757588384 BCZPORKQVTWKBT-TZMCWYRMSA-N 442.476 0.430 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3cccc(OC)c3o2)c1=O 758083295 KXFNKSSZMVJOQS-UHFFFAOYSA-N 437.477 0.563 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 758758502 IKXWKTLLSSQEHA-KKUMJFAQSA-N 429.543 0.716 30 20 ICED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 763423236 IITURYZVKCGYDE-QZTJIDSGSA-N 434.460 0.926 30 20 ICED COc1ccc(CN2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 768338152 RWWXDHXUXDZGAY-MRCUWXFGSA-N 441.488 0.966 30 20 ICED C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NC1(C#N)CCC1 787708468 ATMQMCSPMRUAJQ-CHWSQXEVSA-N 434.474 0.181 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 794540834 LDUWSYGXFNENII-RDJZCZTQSA-N 435.502 0.200 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CCO1 799999184 UROYSIGBKKNFPQ-SECBINFHSA-N 426.367 0.973 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CCc1ccccc1 800683322 ZIIYQSYHLDMIIE-INIZCTEOSA-N 449.554 0.999 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800848782 CNTMXPPWUNCZMN-UHFFFAOYSA-N 441.509 0.760 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCO3)c1=O 802723154 BMEGNVKJDGDHHX-UHFFFAOYSA-N 435.465 0.887 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2cc(C#N)ccn2)c(N)n(Cc2ccccc2)c1=O 803849323 BJIHJCJHMKTRGF-UHFFFAOYSA-N 433.424 0.967 30 20 ICED C#CCN=c1nc(N2CCC[C@H]2c2nncn2C)[nH]c(N2CCC[C@@H]2c2nncn2C)n1 804586805 BYBPHFBABHNTCL-GASCZTMLSA-N 434.512 0.279 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685906 CXRWSEGOIYXQSJ-HNNXBMFYSA-N 435.502 0.553 30 20 ICED CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 916238787 GUJTYTGLUZLQQM-MRXNPFEDSA-N 443.547 0.673 30 20 ICED CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918428246 ORBZEDZVLHNXEQ-CJLVFECKSA-N 437.522 0.423 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1521137620 REBAOINLOAXYOL-INIZCTEOSA-N 449.508 0.676 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1596276116 NUNSNYOAFNHIDM-HXUWFJFHSA-N 432.504 0.120 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CC(=O)N(C)C)CC2)c1C#N 1612470285 OBGBHTBTTLDEDN-UHFFFAOYSA-N 434.508 0.669 30 20 ICED C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F 1638963082 MVFXYPJKSCNHCR-RISCZKNCSA-N 432.424 0.752 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCS(C)(=O)=O 1693751428 XYVDCCARDGYHIU-CQSZACIVSA-N 430.538 0.967 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696057741 PZDAIAOESHLXBK-RBUKOAKNSA-N 432.460 0.525 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1696478160 WAKCROBJVXDUCQ-SFHVURJKSA-N 430.534 0.772 30 20 ICED CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1747447908 MDPHTSXESKOMTH-KRWDZBQOSA-N 434.522 0.834 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1769171793 NEXJPIDMKKKAPE-OAQYLSRUSA-N 435.492 0.868 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785345 URMVQGNVNLXSDV-IIBYNOLFSA-N 443.508 0.986 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2)[C@@H]1SC(=N)NC1=O 1778080660 KPFBBZOMFGUPMC-PCRRDVQSSA-N 433.534 0.607 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 1780602720 OMKDNKHNJSWFCZ-XFGYDDDFSA-N 426.517 0.717 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1781397057 UTNDVTVEORJKBV-VFNWGFHPSA-N 444.492 0.575 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781655567 JAOJFXXHSWMULE-AXVVYFOYSA-N 443.566 0.878 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783197984 ZGQPFZPZZRQYKT-LJQANCHMSA-N 433.415 0.744 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1784439398 WJNWRBGEBGLMOV-QXKUPLGCSA-N 435.612 0.248 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)c(O)c3)C[C@@H]21 1784474916 QFGNUYWENWBVHJ-NKMKZGIRSA-N 430.501 0.961 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4c(c3)OCO4)[C@H]2C1 1786594519 ZCDVFEPVWXDJDM-NKMKZGIRSA-N 428.485 0.976 30 20 ICED CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)o1 1786857159 BULQIDLNTCFEPG-JYJNAYRXSA-N 432.525 0.616 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788302918 DZGDBIXPQJWFDK-BQFCYCMXSA-N 439.520 0.604 30 20 ICED Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659353 KCSRNHSHNNMHBS-LQZSZDLKSA-N 437.522 0.969 30 20 ICED COc1cc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1OC 1790194008 MYSRTMJKQUJYPV-QOKNQOGYSA-N 430.457 0.694 30 20 ICED O=C(O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791301889 KYCRQEYTHAPVTE-AQHUMLDOSA-N 443.522 0.313 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)c1ccc(O)cc1 1791331970 DKDROGLFYQPQBL-LGGPRVQUSA-N 444.528 0.878 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792884267 FSPRQSXEPBWUME-QRJUGERDSA-N 445.582 0.416 30 20 ICED O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793803581 FOARAEKBKFWPIS-IFPBRKCUSA-N 430.505 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794037717 YZLUSJCAMADPSX-CWPLJXCYSA-N 446.504 0.234 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cc(C)cnc12 1797420302 RYCUCZYOEGTXGD-CYGHRXIMSA-N 427.505 0.814 30 20 ICED NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1 1797818629 WJXZZOUZOKORHR-MDFTXWJJSA-N 444.488 0.518 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829451 QFKDURGGHVWNOA-ZXFNITATSA-N 435.481 0.103 30 20 ICED O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797886558 ARFXSWMYQSTXMH-XEMDLRDOSA-N 440.500 0.308 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1799795835 OVMMQFLGFMWXIV-MFCZKXCZSA-N 444.488 0.902 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 1801197224 SWQOEKWSDDRVPM-NZGUISNBSA-N 445.541 0.371 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1803547351 JIDWMBJKCZSREB-QIIPPGSGSA-N 425.445 0.641 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808869481 SGCRCDHBIQHOIL-SLYNCCJLSA-N 449.552 0.175 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811453030 XAWABJQPIFAXEJ-QFBILLFUSA-N 437.504 0.766 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811540272 DBPKHPHNKZRIRZ-YSIASYRMSA-N 438.488 0.752 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817358274 NXJLJVCPSWIXBC-ZRLCCKPJSA-N 429.481 0.707 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824926490 VLKDVSJHTNPLPQ-TYNCELHUSA-N 425.532 0.671 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CC2 1825669539 NDEXQNWIICQGOW-JHJVBQTASA-N 430.486 0.544 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826024183 UPWPNKYJWNTWOL-KDDOJWQBSA-N 429.520 0.868 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829506933 RHTMDQOPLQJJAG-DOTOQJQBSA-N 427.505 0.847 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)C1 1829662952 AYKCEHFDNVNFST-JOCHJYFZSA-N 430.505 0.557 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)c3)C2)C1 1829769553 ZSKTZCMZFCQEBI-YLNCNTMDSA-N 443.500 0.624 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1829771014 AXIIUWNFGHDSNU-XDXAGZTOSA-N 431.411 0.420 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339484 SVEFIYWXJJHVMD-JTSKRJEESA-N 434.489 0.819 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831388280 WNLRJYWUJXCTCL-MONBJTKQSA-N 444.484 0.321 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1831392494 FCJCUUMSDXOBRM-HMFYCAOWSA-N 430.505 0.377 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831426445 LUUHJJUFEQPWEX-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831496395 VXHQOCARJKDNFB-OXJNMPFZSA-N 438.550 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831895507 SADSGWDCAWHARE-YOXWTLATSA-N 432.452 0.149 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnco2)CCO3)c1 1831932483 XZPNLEUIFGJVEG-NRFANRHFSA-N 426.429 0.939 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1833149518 OBKZBSPWEDMXQM-UHFFFAOYSA-N 427.509 0.310 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)s1 1835098919 UEZZQNSRQFUYMC-QFIPXVFZSA-N 440.525 0.897 30 20 ICED O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)N1 1835305432 BVIUEPWYJWVNBC-JQXYLFFQSA-N 447.513 0.222 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1 1837024687 PVPMNSGKMFHOLJ-UHFFFAOYSA-N 439.472 0.518 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837477949 SYJFGWAWRAPXLJ-XMSQKQJNSA-N 447.536 0.716 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837564224 CXOAYHGDEZDCAA-MCYSWCADSA-N 444.532 0.495 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566815 NLNHNGFEAQVXBV-WIFRZSDBSA-N 434.493 0.956 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c(C(F)(F)F)n1 1837960760 SYCRNOSUYHIDMQ-QGZVFWFLSA-N 429.399 0.813 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1838737972 ICBTXYBCGHFKPG-OBKNTDCBSA-N 445.476 0.485 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838763018 YXUQGXZNWDBLEO-INIZCTEOSA-N 449.455 0.813 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1C 1838833263 KQWNNBDUPIANPM-HSZRJFAPSA-N 438.484 0.550 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1839061657 HCGZSNKVZAMZPL-URXFXBBRSA-N 440.544 0.899 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)ccc1F 1839186475 WCNDZJOZQNFROB-JOCHJYFZSA-N 441.463 0.593 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839240942 FPLZNWJVWGWTSW-NRFANRHFSA-N 426.477 0.539 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1839421484 UILBLWITRSZKFO-QFIPXVFZSA-N 440.431 0.715 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839466933 CAMILDOJZPUPAB-ORAYPTAESA-N 439.490 0.997 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840199485 BOIIGKNKZUSXSZ-JTDSTZFVSA-N 431.555 0.358 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216668 HRMWHTLHMBOZAP-RRPYSREYSA-N 437.493 0.666 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840882005 ZXKBMFMETGHDEB-IMAOXBOFSA-N 430.457 0.686 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3CCN(c4ncccn4)CC3)NC[C@@H]2C1 304992958 DSNIWBSUHMXUGO-GOSISDBHSA-N 444.584 0.869 30 20 ICED N#Cc1cccc(C#N)c1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 436268256 FUNQYRKZQUFCDW-UHFFFAOYSA-N 431.499 0.588 30 20 ICED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 437388941 CLYYZQKLRQWWTL-AWEZNQCLSA-N 437.522 0.330 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1 447379674 BXXGVDHYLSJXFV-UHFFFAOYSA-N 438.531 1.512 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 465283868 HVFQXIGNHINSJM-AWEZNQCLSA-N 433.538 0.525 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467078503 IBUKQUHKRPPOJP-UHFFFAOYSA-N 442.476 0.215 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)cc2)c1=O 488057304 NTDXJMRTKMFDHJ-UHFFFAOYSA-N 445.566 0.388 30 20 ICED CS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488598926 JKSRQKUDCBGNJP-SFHVURJKSA-N 440.481 0.818 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1 502896997 TWCYJUANAZJACC-GOSISDBHSA-N 435.550 0.325 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@]12C(=O)Nc1ccccc12 514017849 MCGTWVRYUDZHNR-VOZTYSAOSA-N 445.479 0.849 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)n1 515084430 KOSSCCZHTOKUIG-MOPGFXCFSA-N 449.515 0.268 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 518446299 HIEMWNCKDDANHA-MRXNPFEDSA-N 445.563 0.369 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1=O 521488792 YIGPSTQHEVHOBP-UHFFFAOYSA-N 427.505 0.239 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 530317970 VZBBJOKADDNAEN-UHFFFAOYSA-N 441.488 0.520 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 532305160 UXHHGYOUOZZISJ-CQSZACIVSA-N 429.506 0.458 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 535828400 SEAXGSAKXOXILB-SJCJKPOMSA-N 441.469 0.614 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 544599585 VMWWETWHEDPQAG-QGZVFWFLSA-N 443.547 0.115 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 545492870 VKWIHJLOUYPNPE-OCCSQVGLSA-N 432.462 0.077 30 20 ICED CN(CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557593207 PGOIELVIXQYEQF-RDJZCZTQSA-N 442.563 0.403 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1C#N 563670750 XDOZHNNDPCZIAC-SFHVURJKSA-N 430.534 1.534 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccncc1OCCN(C)C 576429783 DOGJPRXHPIQIBT-HNNXBMFYSA-N 431.518 0.877 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 615315370 MQUOHXIOJFKBJD-SFHVURJKSA-N 429.521 0.807 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 741601493 BLDMVHOEVUSEMV-OAHLLOKOSA-N 442.497 0.521 30 20 ICED C[C@@H](CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742602250 SYTFTUYDNSISNR-LBPRGKRZSA-N 443.485 0.358 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)cc1 746392782 YXHPDLYXEYAFQZ-INIZCTEOSA-N 444.517 0.871 30 20 ICED CC(C)(C)C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751774127 LUOULLXTJYFFNI-MRXNPFEDSA-N 437.518 0.731 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 754929617 OQFHSJGRPUAKKJ-UHFFFAOYSA-N 444.517 0.477 30 20 ICED COc1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1S(=O)(=O)N(C)C 757910966 XLYWIPRWJAZRQE-MSUUIHNZSA-N 437.478 0.593 30 20 ICED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 766560866 BUKFXYWWNKMMBZ-VABVJXKHSA-N 438.506 0.046 30 20 ICED C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780215205 QDWGSFPMZHFORO-SCLBCKFNSA-N 431.470 0.530 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]23)c(=O)n(C)c1=O 781126581 BDOLWTGHZCKFTI-DLBZAZTESA-N 445.545 0.650 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 783347972 UZIBQPRDEOBNKF-ZDUSSCGKSA-N 441.937 0.966 30 20 ICED COCCOC1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 785036225 WTBSDTJZOGCKGX-FXBPSFAMSA-N 438.506 0.312 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)n1 789788734 OYPSOZHMZWJCHN-UHFFFAOYSA-N 448.487 0.983 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 799272205 CGHZFNVCOVDKSN-INIZCTEOSA-N 437.518 0.819 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(OCCO)CCOCC1 800667231 NHVGLWOMVYCILQ-UHFFFAOYSA-N 425.507 0.180 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CC[C@H](O)C2)C1 808158748 AGRYQUNCDMTWHH-IRXDYDNUSA-N 434.562 0.953 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 811092681 KQYBDONTSLFICB-JCURWCKSSA-N 435.462 0.146 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 901211477 DJARCOONJPVBCW-LHSJRXKWSA-N 430.461 0.873 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 918243900 TXEDIJWPHYCQSQ-KQWNVCNZSA-N 435.506 0.080 30 20 ICED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 921073915 WNNOIBQXOTZEDX-STQMWFEESA-N 425.349 0.576 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1116203079 ZHBCOOBYGNEEKG-UHFFFAOYSA-N 432.546 0.768 30 20 ICED C[C@@H]1CN(c2cccc(CN(C)S(=O)(=O)N3CCO[C@@H](C#N)C3)c2)S(=O)(=O)C1 1211687072 ZBCWTSWALGWWTC-PBHICJAKSA-N 428.536 0.373 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1251865415 JKHAXXVGSZAVME-GOSISDBHSA-N 442.568 0.365 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1288872812 ZRAFQXQMFQUZOY-GDZNZVCISA-N 440.551 0.586 30 20 ICED CN(C)C1CCN(C(=O)CC2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)CC1 1293860296 LSRUNWDDVLQOMW-UHFFFAOYSA-N 430.509 0.002 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1302480157 NMXWIGWNDBTVLN-MRXNPFEDSA-N 429.506 0.177 30 20 ICED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1313801194 PUHWRKWDDKBUGZ-DYVFJYSZSA-N 427.506 0.343 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)CCO1 1316535300 IXRHSARNTTVQOB-HNNXBMFYSA-N 427.465 0.586 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1359143396 ZOGVRZXNKDGXPJ-CYBMUJFWSA-N 426.934 0.757 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505321187 JJOWCOSMWBUFGQ-QGZVFWFLSA-N 439.476 0.155 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1509638064 KHCPYEXMJPWFCM-CXAGYDPISA-N 427.506 0.282 30 20 ICED Cn1cc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2=O)cn1 1540647954 PDFZTKAVOXYDFQ-MRXNPFEDSA-N 442.501 0.178 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1546580398 WWXPJWSALAPULV-INIZCTEOSA-N 431.522 0.471 30 20 ICED CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552398661 DEUIWYIJZQPBFZ-IAGOWNOFSA-N 437.570 0.636 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1554504123 URHHJCDDHAFORF-IAGOWNOFSA-N 443.533 0.613 30 20 ICED CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554602249 MGUQVAXLNLHJMO-WBVHZDCISA-N 445.549 0.808 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1616126985 NRUBJXRJHAWQPF-QAPCUYQASA-N 426.543 0.704 30 20 ICED COC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)OC 1712150279 PFCHKTUPUZBRJV-CVEARBPZSA-N 435.506 0.739 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770732142 URFYXHVYNLNZFA-SFHVURJKSA-N 434.497 0.646 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1778102636 GZNPASIUBIQYGI-AQOAWAETSA-N 435.569 0.649 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779366188 WVXCOPKQASLXOE-FJVGUQRGSA-N 433.553 0.593 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)cc1O 1779420587 WTMDPZWAKKERMN-OQOCAEIUSA-N 449.508 0.782 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060879 JNFKMPWMCKIQQJ-ZHRRBRCNSA-N 441.488 0.106 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300613 YGQPTUGKXDMBPO-FCHUYYIVSA-N 447.463 0.686 30 20 ICED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1782398373 UNFVNZXSVUSMEM-XMSQKQJNSA-N 444.488 0.807 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783189299 YGNNPGWCHGJNRO-LIRRHRJNSA-N 447.479 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1783530683 RTILOYSLVOEMGI-RVKHQLRBSA-N 427.505 0.281 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21 1783531215 JCWMHXOIYJUZME-MOQBMDSDSA-N 434.443 0.812 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564689 CGZVVZSCSVMPRA-NYHFZMIOSA-N 447.488 0.161 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1784484018 NWNUEXCGFUAOSQ-VTCANLHHSA-N 425.485 0.562 30 20 ICED 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N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4nccnc4C(N)=O)sc3C2)CCC1 1821041573 BXRXOEYKUPYVMW-SNVBAGLBSA-N 425.474 0.952 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1 1822200217 CMEMGONDHPUOOP-ZDUSSCGKSA-N 435.400 0.207 30 20 ICED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)[C@@H]1SC(=N)NC1=O 1822201201 XIUXGXGAEYIADZ-ZSGNIPIJSA-N 432.462 0.292 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(n1)NC(=O)CC3)CC2 1825665706 WSYYRDKLGJRZGF-NSHDSACASA-N 439.453 0.737 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)c1 1829772850 CZOLORMLQZHGKP-QGZVFWFLSA-N 426.477 0.671 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829778153 NPEFUDASRGUIEE-VFNWGFHPSA-N 436.509 0.033 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831391288 MFSRSEWIWCYWKZ-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1831401460 CFKUUTBMEHPGBH-PWHSHALESA-N 429.517 0.755 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831477738 CPUCTMXSYWSQKX-QFIPXVFZSA-N 428.489 0.543 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4csnn4)CCO3)C2)c1 1831755786 YXOKJZSLPMBVMI-IBGZPJMESA-N 431.449 0.933 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832493091 STXIFEJRHSFZQZ-AVRDEDQJSA-N 429.473 0.833 30 20 ICED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CCC1 1832782838 JSMXTJVJSDZGBK-MRXNPFEDSA-N 438.492 0.740 30 20 ICED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)s1 1833024561 STDRHEUPEOHFHZ-HXUWFJFHSA-N 433.534 0.929 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833039580 OFNOGMVXXGCVHV-NYNQOQISSA-N 443.504 0.668 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1833469000 IWGKVPPZWAELAF-GOSISDBHSA-N 432.565 0.609 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cocn2)CCO3)c1 1834509159 HYQVDIWVGRTVBD-NRFANRHFSA-N 426.429 0.939 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767705 QGXRYXXBJJXFBC-IIBYNOLFSA-N 434.493 0.273 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1834768050 XVUANQZSOYFKQC-QFIPXVFZSA-N 438.440 0.100 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)cc1 1834874297 UUZZOGZJMJFHDG-UHFFFAOYSA-N 436.520 0.359 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836373073 VXFQZJDLMIBPNP-SJORKVTESA-N 425.643 0.512 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393413 KYHKKGLNJZOFCE-IIBYNOLFSA-N 429.477 0.390 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)CC1 1836990898 OKVXIEWXSXWADT-JOCHJYFZSA-N 440.456 0.391 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837398471 BIKXJGCJJBJDEK-GCJKJVERSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1837399602 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O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824650 PECRBBLFQCGAOC-UHFFFAOYSA-N 442.472 0.659 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1846213424 GBOSVFLFLDWNHG-STQMWFEESA-N 429.539 0.965 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1847804267 FEZBWBGPQQBHJR-LUKYLMHMSA-N 437.537 0.891 30 20 ICED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 19021707 NILKCEDRFWMQQB-UHFFFAOYSA-N 436.486 0.557 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 24264141 GOFWVJGSGQCUOR-CYBMUJFWSA-N 425.467 0.301 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1=O 116309973 ACQUBRQFQCGNPM-UHFFFAOYSA-N 434.412 0.460 30 20 ICED CCOc1ccc(NC(=O)C(=O)N[C@@H](CC)CC#N)cc1S(=O)(=O)N1CCOCC1 439559378 DGWJDAXCEZQKMW-AWEZNQCLSA-N 438.506 0.853 30 20 ICED COC[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)NS(=O)(=O)c1ccc(C#N)cc1 445741273 JOESITWURGNGAQ-INIZCTEOSA-N 434.499 0.702 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@](C)(O)C(=O)OCC)nnc12 460122252 YUQUTPPFCUTJSY-HXUWFJFHSA-N 445.501 0.753 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCC)n2)c1=O 477460565 CFTTXAYWDHDWAT-UHFFFAOYSA-N 442.541 0.912 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cccs2)c1=O 488141702 HMLBOURBWDAGBS-UHFFFAOYSA-N 437.568 0.141 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC(O)CC3)CC2)cc1 498047060 NHGMCHJTGOQUNO-UHFFFAOYSA-N 434.518 0.155 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1=O 501441162 UWUYKWNXVDVVIY-MDZRGWNJSA-N 440.500 0.267 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502057760 YFYKEVOCUOYSSD-HNNXBMFYSA-N 437.525 0.595 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C2CC2)cn1 508036477 FMZFCIJVCNXFCA-KRWDZBQOSA-N 432.487 0.255 30 20 ICED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 509000750 KJODUJKMPZSHBY-QGZVFWFLSA-N 442.524 0.505 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c1 524281310 QDHFWQDMPJLJOU-UHFFFAOYSA-N 443.525 0.539 30 20 ICED C=CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 533524973 ZFYKTTGMLGMQFE-HNNXBMFYSA-N 445.563 0.559 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCC#N 542313981 CMZLLDJEODMOIA-UHFFFAOYSA-N 438.506 0.853 30 20 ICED COC(=O)c1cn([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nn1 545518218 PSLWQFMVRQLUJK-DOTOQJQBSA-N 443.533 0.782 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546903418 JGIHXSUKCRHTNO-UHFFFAOYSA-N 435.488 0.781 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 550778383 NFZWQDBMRMOJNT-OAQYLSRUSA-N 426.565 0.367 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2=O)cc1 578276660 XWEOOMVOPWVADN-VQTJNVASSA-N 439.516 0.099 30 20 ICED C=CCN(Cc1cccs1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 579456521 XDNDGYQJTVSYIR-UHFFFAOYSA-N 442.545 0.908 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 585721034 LLPHPHFAEFRZCV-HXUWFJFHSA-N 440.548 0.314 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)nc1 587654997 WSHOCGOKHMUHGJ-UHFFFAOYSA-N 436.472 0.616 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2CCN(CC#N)CC2)c1 609328496 MKCZIYPUJPEEHH-UHFFFAOYSA-N 435.550 0.491 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCN(CC#N)CC2)c1 609337553 WYBPVZRIQKRENB-UHFFFAOYSA-N 435.550 0.551 30 20 ICED Cc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N1CCOCC1 732154384 UXHSQOJAQNGYSU-ZZEZOPTASA-N 448.501 0.272 30 20 ICED O=C(Cn1cnc2ccc(Br)cc2c1=O)NCCN/C(O)=C1\N=CC=CC1=O 732157148 WYULLPJVYXOFDP-WUKNDPDISA-N 446.261 0.802 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 732427397 CYDPXDXDEQMYFJ-UHFFFAOYSA-N 428.449 0.232 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 733364260 DTVLYFSRJCOSEZ-UHFFFAOYSA-N 435.868 0.262 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746568019 ARIBJPJZOLOVND-UHFFFAOYSA-N 431.470 0.956 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CCCCO2)CC1 756511723 SXHSGMGBIQXPPX-KRWDZBQOSA-N 435.502 0.894 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758501475 RVXCPAICUBAGOJ-CVEARBPZSA-N 436.513 0.125 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc([N+](=O)[O-])ccc1=O 761346329 CEPYTKMLVPDSMP-UHFFFAOYSA-N 434.430 0.819 30 20 ICED CCc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 763155356 RNEXZGBLAVGKAF-IVIYVJDGSA-N 447.521 0.996 30 20 ICED COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763365372 PZJZLXJEZWEQJQ-QGZVFWFLSA-N 436.428 0.944 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 776626423 CHVQQQCZSJRKMY-QNGOZBTKSA-N 437.503 0.794 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)nc12 782725524 KAXLOMHVUITPDN-UHFFFAOYSA-N 442.457 0.846 30 20 ICED CN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 784964864 UUQAEDFOLWLNSH-SSPLZPMDSA-N 435.506 0.127 30 20 ICED C[C@H](CC(=O)OCC(=O)NCC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 785347054 JKPSADRAMXUBSZ-GFCCVEGCSA-N 439.490 0.505 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)n(C)c1=O 786531638 SASRHNKXSANBQI-CYBMUJFWSA-N 428.836 0.112 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 789115241 CVUYNOXETRARJN-KZULUSFZSA-N 434.474 0.787 30 20 ICED CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)CC(C)C 789933819 LFVWNBOUHKVUBD-MRXNPFEDSA-N 447.540 0.526 30 20 ICED N#CCN1CCN(C(=O)CCc2cccc(CCC(=O)N3CCN(CC#N)CC3)c2)CC1 796584095 LAKVZWVGZLGFOS-UHFFFAOYSA-N 436.560 0.887 30 20 ICED COCCN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801149955 HQQPOXKBLOLWLH-UHFFFAOYSA-N 440.497 0.681 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(CCOC)CCOC)CC2)c1 803557278 BTZPKGQRHPVLHL-UHFFFAOYSA-N 437.562 0.798 30 20 ICED CC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)S1(=O)=O 805398946 CQHNOEVXVHNAFW-BFHYXJOUSA-N 427.548 0.928 30 20 ICED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808035503 AUYZFVXUTGMYCG-WMZOPIPTSA-N 442.520 0.975 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@@H](C)N1C 815862524 GTYZOOKSOXTQQF-WCGUBKJWSA-N 435.550 0.989 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCNC(=O)CC1 815926354 LUJBUHDIQLFYDG-AWEZNQCLSA-N 426.429 0.826 30 20 ICED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 820059797 MXFNXPGNIRLPRV-KRWDZBQOSA-N 435.546 0.812 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 856436768 MRAWKDDHWZNFAY-LBPRGKRZSA-N 438.462 0.140 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 916775335 QVOXXCMDZQVKHK-UHFFFAOYSA-N 428.382 0.709 30 20 ICED Cc1cnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1O 1189399352 MHRKKIOHSXMEIU-UHFFFAOYSA-N 433.515 0.988 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCN(C)C3)CC2)c1C#N 1290577194 LGIYORINLLQFHT-JOCHJYFZSA-N 441.584 0.882 30 20 ICED CNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1315049255 LUSIXCQEDYLCKJ-INIZCTEOSA-N 425.497 0.317 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1315737541 LEIHZCOTXWQQRS-FSZRXZPDSA-N 427.502 0.674 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1316358120 ZOEIDNGMEXGIPX-KRWDZBQOSA-N 432.506 0.314 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC2(O)CCOCC2)C1=O 1322417488 TZYYEVQVGKVMBR-OAHLLOKOSA-N 434.518 0.785 30 20 ICED N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1F 1441801606 UYIAQDZCZKKWSK-LBPRGKRZSA-N 433.458 0.111 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1517125338 NYOGVEKBUWKUDR-XLIONFOSSA-N 431.518 0.840 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1517509236 QFLYJVNXJZDFEM-QGZVFWFLSA-N 445.549 0.671 30 20 ICED CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1552867335 MKUQYAQMMWASPN-ZWKOTPCHSA-N 430.557 0.232 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1564544557 OAQMCLXUAJXDES-UHFFFAOYSA-N 437.504 0.839 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692856305 WRNJBCHIANPRMW-FOIQADDNSA-N 428.518 0.953 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1697007746 XTNSVUWBMUSXGT-SFHVURJKSA-N 441.492 0.206 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1761362903 JEUKPHBRSKEPMT-HIFRSBDPSA-N 429.568 0.743 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767772459 VFYAEHZOYNBBBY-QGZVFWFLSA-N 445.549 0.813 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1778879502 JFORWEQNCRTIIJ-OPAMFIHVSA-N 427.505 0.838 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1779024294 BTDIPPBMBXTLPL-OAQYLSRUSA-N 431.493 0.963 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1779072553 KNPQWYKFHKRUBX-LIVBEALHSA-N 441.481 0.112 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CCC1 1779955764 WMMMKGVZLZWYSN-HXUWFJFHSA-N 427.486 0.893 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1780698718 LPWLYHVVRDSUGU-QHCPKHFHSA-N 446.467 0.960 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2NC(=O)C3)C1 1781353665 LSFZIESFNBSDNA-OPAMFIHVSA-N 425.441 0.397 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781420887 WYMCKOWVLMLWQR-IIBYNOLFSA-N 448.524 0.577 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1783054101 CYQCIWNDAIDTCS-GCJKJVERSA-N 443.504 0.707 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1783160130 YVQUESIEVMRTQG-WZONZLPQSA-N 427.501 0.985 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1783767057 RSPOPLWIYNHLKJ-JKSBSHDWSA-N 434.537 0.814 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1784198650 TZISQJGBARGVDO-JTSKRJEESA-N 427.505 0.618 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785585289 WWAPPQOFOUOYPX-PDWMJMLSSA-N 449.529 0.117 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787041072 JIQHZTRJQVAHJW-CXLTZZKYSA-N 427.505 0.247 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1787518929 PCIOSJWBIIRMQY-CCMRYFRJSA-N 442.516 0.784 30 20 ICED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)c2ccccc21 1788138195 DQYAGGIBQVWNFQ-BXWFABGCSA-N 437.500 0.623 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nn1C 1789400775 MXGYYZRRYDDIOT-MOFWARSWSA-N 449.508 0.551 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4)[C@H]2C1 1790445017 VZZDVXZMCJDRRA-CBVHJVASSA-N 425.485 0.813 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 1791072657 QXAVWSLAACXRNW-NUTKFTJISA-N 433.392 0.344 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C3)C1 1792442592 QSIMNKVERGNNGW-MTHXSQLBSA-N 449.548 0.913 30 20 ICED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1793288809 QOJHXTBBMGEDFN-UPHUGPLXSA-N 428.489 0.685 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c(O)n1 1794826375 PEUSSSSEWCOCFE-FXKZBUDASA-N 444.532 0.808 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1 1795443374 IZHCVZMRQYHKIR-IBHRTIHJSA-N 426.517 0.849 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1795599715 CELCOOAGJXKXOY-SCAQPMJSSA-N 430.509 0.151 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)c(O)n1 1795850356 QWZHXRNMKCPNTN-CCWDJLKJSA-N 426.477 0.401 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)cs1 1796486694 BWBSJWFVDXZRDJ-KEODLESXSA-N 427.276 0.802 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)COCCOC)[C@H]1c1cccnc1 1802480278 FOOGYQLNMSAHPP-OTVNPASYSA-N 430.505 0.609 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095002 NXOIAOYYAYKLEW-UWJYYQICSA-N 425.489 0.833 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804170246 HCXXBINCQNPNHI-RLFYNMQTSA-N 431.518 0.605 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2cccnc2CS(C)(=O)=O)[C@H]1c1cccnc1 1805022783 GREVRRYWJIOIQI-OXQOHEQNSA-N 426.498 0.974 30 20 ICED COc1ccc([C@H](O)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812874773 YITGIXFTUDFUMI-WTNAPCKOSA-N 437.452 0.918 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1823515493 LXRLJMRDFDWPJX-GXTWGEPZSA-N 435.481 0.629 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955503 IXBDUZCKIUMZKN-JPYJTQIMSA-N 444.532 0.988 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996186 CXCNCRHCISCVAC-YEUFIRJSSA-N 431.537 0.911 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1831397254 WOJTZBDZJXNBMD-AOMKIAJQSA-N 426.473 0.671 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCC(CO)CC2)CCO3)c1 1832521979 QJJRMLOUGKNFDE-CWZMJNCASA-N 430.505 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)OCC)CC2)CC1 1833076105 VUSFTMGGLNVHGX-IGTJQSIKSA-N 446.548 0.536 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833208520 RIUZQYBAUWOSIB-QRWLVFNGSA-N 438.912 0.773 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356948 CNNGESFKMIJQSN-QHCPKHFHSA-N 445.491 0.989 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)CC1 1835345690 UJECMAVPWJWWTE-YVHKJVDXSA-N 430.505 0.148 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1835674111 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N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c1 1838339292 GKZZWXMVZFDYEC-JOCHJYFZSA-N 440.431 0.715 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CCN1 1838392120 LWLVEGXTMFLPEV-WLXKGNRNSA-N 447.580 0.983 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)cc1 1838426963 MMSYNMFNABMORY-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(F)(F)F 1838732688 ZFDYBQHJYKYLKC-SJORKVTESA-N 430.383 0.270 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)s1 1838735958 CGYLKOZDACRMMQ-IBGZPJMESA-N 430.490 0.359 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951288 JANJGJUQXKGGKG-DFXYEROKSA-N 433.530 0.787 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1839175231 WFCCOOGOCSCLLH-OAQYLSRUSA-N 435.477 0.816 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228784 OTFXWFQBGTZIGM-MMOPVJDHSA-N 440.541 0.549 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c1 1839453489 NXVNIZTYCYMLLM-VGOFRKELSA-N 438.488 0.789 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692205 INZYBDLTOIQHBC-DEOSSOPVSA-N 438.528 0.253 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839888659 AFHAKGBGBLNUPP-GOSISDBHSA-N 431.436 0.497 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840158575 NWTFSBVDNKQLRE-DKZVUGQWSA-N 433.574 0.818 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161152 GBYAYPAOAJSNOR-KSSFIOAISA-N 428.580 0.726 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840198166 LKEKZGZWNAJKFD-WIYYLYMNSA-N 433.530 0.742 30 20 ICED Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnn2c1 1840814091 NRBGDCXRPIEFBA-JOCHJYFZSA-N 438.488 0.802 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840819164 SLCUCAPLDGBWJD-HXUWFJFHSA-N 447.517 0.020 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916957 PWKWBNNWRPMREP-VOLVWJTLSA-N 447.532 0.864 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 32831840 SODRUZZQDFBMKY-OAQYLSRUSA-N 448.545 0.978 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 410412984 HFNHYHCDNZDTRM-RHSMWYFYSA-N 425.559 0.523 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 427433193 CHATUBJEJDYPLG-UHFFFAOYSA-N 434.518 0.447 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 427587957 QUAQKRIYMSQISE-IBGZPJMESA-N 446.533 0.587 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 434829465 XGSOXXMBDHUJCL-UHFFFAOYSA-N 427.465 0.747 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 442307689 NIUINXXPHWXSIL-UHFFFAOYSA-N 443.548 0.454 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)n1 444508191 RVFVCFIQWVGEIO-CYBMUJFWSA-N 425.367 1.310 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 460433210 ZTIVEDPJKMMVBN-INIZCTEOSA-N 430.490 0.224 30 20 ICED COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)C2 460721545 RRIRUDZGVVZLBS-INIZCTEOSA-N 432.440 1.514 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1C 462436556 NBUVKTLPOLOHSU-UHFFFAOYSA-N 428.333 0.536 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cccc(F)c4)C(=O)C3)n2)cc1 462967013 LOKGLUJYQXUWLO-UHFFFAOYSA-N 447.430 1.151 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)cc1 468249659 HESNKYBDRJTTOU-UHFFFAOYSA-N 425.511 0.767 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 470403383 GSOSNWCUGLLMFP-USXIJHARSA-N 425.507 0.097 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccon2)c1=O 478853448 XMLBJHIIIQDDPD-CQSZACIVSA-N 439.497 0.661 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 489005228 CSRSJKWIAKASEX-GOEBONIOSA-N 428.514 0.414 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 504338959 OUDQZHSRQIVPFI-CYBMUJFWSA-N 437.499 0.908 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508894714 LZQWKDIROYOYSH-CHWSQXEVSA-N 438.514 0.294 30 20 ICED COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 509643164 PDTVJDQMKGVNOU-UHFFFAOYSA-N 438.487 0.784 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)nc1 509953449 AVVJIMKGGPJXPN-ZLZJIPBDSA-N 446.529 0.795 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 517983262 NHUWOHFOLQKSJE-INIZCTEOSA-N 440.569 0.831 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 524281384 UABZZBJCNWSQAE-UHFFFAOYSA-N 430.917 0.610 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1Cc1ccon1 531939333 VZIBPQXQNZNNGO-UHFFFAOYSA-N 442.522 0.926 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CC(N)=O 533120447 RBYANQQAFLYGCF-UHFFFAOYSA-N 437.308 0.507 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541139629 WLXBKDZWOFZYBG-UHFFFAOYSA-N 438.897 0.781 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3CCNC3=O)CC2)nc1 544505842 YUFSQDBCTJFKQI-UHFFFAOYSA-N 433.472 0.766 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3nnc4n3CCCCC4)C2=O)cc1 550071048 VHVLYQPIMYMZFK-QGZVFWFLSA-N 435.488 0.410 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1cnn(CC)c1 558459850 QKVRVDRRAQIRJM-INIZCTEOSA-N 439.542 0.012 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)cn1 565262586 LCJRHKZXMHJNRZ-KRWDZBQOSA-N 439.495 0.865 30 20 ICED CCNS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 565591744 WTKMTGIFTAWEGB-UHFFFAOYSA-N 436.515 0.451 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 573592597 NRNJCKLONQBFBH-HOJAQTOUSA-N 428.533 0.637 30 20 ICED CN(C)C(=O)Cn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[nH]2)[nH]1 574090463 YBMYKLVBDBHJIH-UHFFFAOYSA-N 440.851 0.103 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)CC1 576495534 WWOFEKNGEZQDFA-UWJYYQICSA-N 445.545 0.038 30 20 ICED C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1cc(F)ccc1N1CCN(C)CC1 586845729 XQRUWYDOZUCORH-INIZCTEOSA-N 430.528 0.859 30 20 ICED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654432 NXLSCFAZWNTSSY-UHFFFAOYSA-N 426.521 0.803 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 588869789 LLWRCEISOLQZGN-FHWLQOOXSA-N 437.500 0.293 30 20 ICED C[C@H]1Oc2ccc(C(=O)C3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)cc2NC1=O 589591416 JSRNGZGQFZFMAH-GFCCVEGCSA-N 437.456 0.774 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCC 592992808 CELALUNUYBTOBU-UHFFFAOYSA-N 438.488 0.845 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603792654 HZEQEDBJSQGSQE-UHFFFAOYSA-N 426.498 0.320 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C 608778786 RDGOXUDNZCLLMC-UHFFFAOYSA-N 430.505 0.475 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 609340372 REYAXSHMWXGEGD-UHFFFAOYSA-N 436.494 0.599 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(Cl)cccc3OC)c(=O)n2C)CC1 609822528 GGBHHNUYIQVIOL-UHFFFAOYSA-N 446.960 0.776 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(N5CCOCC5)ncn4)CC3)C2=O)cc1 610008980 QYQFAVCROIGZIO-IBGZPJMESA-N 447.499 0.639 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610807157 LVMMNGQGKVMYJA-GDBMZVCRSA-N 441.513 0.719 30 20 ICED Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1C 611644439 GZEJWDFSZHZGGX-ICSRJNTNSA-N 434.562 0.779 30 20 ICED Cc1cccc(NC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1C#N 618040618 DTDFQQFOYNMUFO-UHFFFAOYSA-N 442.501 0.921 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCCN3CC(F)(F)F)CC2)cc1 619877196 WCMMIALQJCWBFY-MRXNPFEDSA-N 446.451 0.654 30 20 ICED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 670227595 WMZUINSNYMXXHO-HOTGVXAUSA-N 428.559 0.477 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 728572423 CPFAPAZSWUYATM-UHFFFAOYSA-N 437.500 0.515 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CCOC 730253192 SQIHZOCNDNKJJY-UHFFFAOYSA-N 444.469 0.278 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NCC#N 731238765 NLPNMIHQUDMVFI-AWEZNQCLSA-N 432.296 0.935 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(CC)c2)c1=O 732561913 WLDJHOMOUIABLT-UHFFFAOYSA-N 431.562 0.971 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cccc(OCC(=O)O)c2)CC1 734750884 IPWZVGFUHDJDSL-UHFFFAOYSA-N 433.490 0.927 30 20 ICED C[C@@H](CC(=O)OCCN1C(=O)NC2(CCCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497878 XDQDRJYYZFNGTK-ZDUSSCGKSA-N 448.501 0.912 30 20 ICED O=C(O)CCNC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 746358265 CMCIDUVDOHIINF-UHFFFAOYSA-N 430.442 0.568 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NS(=O)(=O)N2CCOCC2)CC1 750724109 GMGSWOGLWDSGEQ-UHFFFAOYSA-N 435.462 0.716 30 20 ICED COC(=O)[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 751638004 CHVFUTNMHUSNCS-MRXNPFEDSA-N 425.401 0.153 30 20 ICED COc1cc(OC)cc(-n2nnnc2CN(C)c2ccc(S(N)(=O)=O)cc2C#N)c1 751970309 XGAHOKHDSPLFRE-UHFFFAOYSA-N 429.462 0.835 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 754170282 WDIKZYYAVBTJIN-UHFFFAOYSA-N 426.454 0.480 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 759827396 IQATWMMOGQTPHE-UHFFFAOYSA-N 443.481 0.692 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[C@@H](C#N)C(=O)NC(C)C)CC2)cc1 766255066 NKJQLIAZBUTZGR-GOSISDBHSA-N 448.545 0.842 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)cc1 778859692 VIQAUALUTKKWBJ-XQNSMLJCSA-N 447.473 0.446 30 20 ICED C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782905706 OWTCEYOVBIQTFM-SFHVURJKSA-N 429.521 0.925 30 20 ICED C=CCOC(=O)N1CCC(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 790858460 XAEZJKHWLLMYKV-UHFFFAOYSA-N 441.506 0.990 30 20 ICED C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 793827600 PKVVSXFEJFOXIP-HNNXBMFYSA-N 443.504 0.931 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 794646258 WIGZRAJWKIPPPO-MRXNPFEDSA-N 436.489 0.813 30 20 ICED C[C@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798746017 XVNQRDDGBGIQJY-CYBMUJFWSA-N 432.462 0.677 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 799078175 ZQALWXPVFWNIMF-CQSZACIVSA-N 426.491 0.229 30 20 ICED C#CCN=c1nc(N2CCCN(C(=O)CC)CC2)[nH]c(N2CCCN(C(=O)CC)CC2)n1 804365342 CZURFEIMSHAODZ-UHFFFAOYSA-N 442.568 0.236 30 20 ICED CC[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 810581870 YJPBGIFFMJHBQO-RBSFLKMASA-N 427.523 0.988 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOC)CC1 812168664 UZFMDQOQYRKLHW-UHFFFAOYSA-N 430.534 0.882 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1C 813731393 XNPMUYXOUSJPAL-CQSZACIVSA-N 432.458 0.880 30 20 ICED N#CCOc1ccccc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 920413303 NMIXVDNYTYJNEP-CVEARBPZSA-N 436.486 0.940 30 20 ICED CN(CCNS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1251836632 CCLDAAALJGVMFQ-XDJHFCHBSA-N 431.540 0.512 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1296998031 QHMFZYMSNRAEOJ-MRXNPFEDSA-N 434.518 0.877 30 20 ICED CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 1330436614 MQJRISYTCAJNSB-JKSUJKDBSA-N 433.490 0.256 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359151526 WLNCGGWZJSACNU-AWEZNQCLSA-N 446.961 0.455 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1360785099 PKZOJPOLIWUUIV-WOJBJXKFSA-N 430.534 0.944 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCC[C@H](O)C1 1455559530 IMJSKTNHVVGEKD-AWEZNQCLSA-N 442.497 0.961 30 20 ICED CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1502287850 MAEWICZEFASXPG-GVDBMIGSSA-N 439.586 0.691 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1518382254 PYDUYPGFHCGWHW-QGZVFWFLSA-N 447.517 0.622 30 20 ICED N#CC[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1625126283 JWMCKVLPSQKFDB-IRXDYDNUSA-N 425.532 0.345 30 20 ICED COc1ccc(NC(=O)CN2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1643573775 VPRRPDQSBOHBSO-IBGZPJMESA-N 438.506 0.005 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1644912373 ZMKGHCYXWQXGLX-GOSISDBHSA-N 449.920 0.595 30 20 ICED CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1697698914 RDRSNAIGUFCYQV-MSOLQXFVSA-N 448.549 0.854 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1740822290 KNDKNNMEMNGFED-MRXNPFEDSA-N 444.989 0.896 30 20 ICED Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751962245 VTYLIEJCLKGUFH-CJNGLKHVSA-N 448.553 0.718 30 20 ICED CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1769586982 KYGNZFVZHGFKIR-HNNXBMFYSA-N 434.522 0.845 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779420526 VHQJARBOXABAPS-ZFSSPLLXSA-N 434.497 0.472 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1780176266 QTRBGGQKUOVHOL-OPAMFIHVSA-N 426.473 0.537 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1781269453 SVVJLZZPGMLKAC-NRFANRHFSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1781270166 ASMNLNXOBOFSNR-HXUWFJFHSA-N 432.433 0.128 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782103171 JNVXMWTUJQLGLN-PWPXAWQVSA-N 446.548 0.371 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635082 QOZGTFGXCDKUIR-QEPGBGQSSA-N 447.492 0.474 30 20 ICED C#CC(=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 1783056310 SUGJNVANORCBCE-MPBFYENKSA-N 433.505 0.208 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1783530953 YFNMUALLWHWROW-SKNOTLCPSA-N 438.488 0.181 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644604 HWMIPHKAFPEINQ-JJEOQYAHSA-N 449.548 0.990 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1783885136 CDIBVCKEEAZDPH-QVKFZJNVSA-N 447.561 0.170 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)cc1C#N 1785196765 OIBVYXVEZQRMJQ-ZHRRBRCNSA-N 428.489 0.923 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788304031 LAAZFGDZKQVCLI-LAQRGFTBSA-N 427.505 0.896 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1788631550 MUDQWCRPUOSXMB-ZOBUZTSGSA-N 444.488 0.180 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)nn1C 1788638879 PNEOTEFQJJTXLR-LNLFQRSKSA-N 444.532 0.721 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790587843 QNQPPNOXWRKYRT-JPLJXNOCSA-N 426.517 0.983 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791286156 DDNYVPSONMBKAN-ORGXJRBJSA-N 429.473 0.767 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)CCC1 1792141573 AMXOMNJZIKYHPB-ZOBUZTSGSA-N 443.460 0.430 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1F)C2 1792484134 AYONDFINDJXCDR-LXLDKNIXSA-N 436.871 0.936 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)c3ccco3)c2c1 1792523572 CJPVXBWTMLWDHP-VLBMKZOESA-N 435.440 0.964 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793384042 MEUVKTQDNUXULS-QEOTZNIISA-N 430.523 0.025 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)cc1 1793958762 NAJTVLRDYWDJQT-VTYHHJSWSA-N 447.495 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOc1ccccc1 1795116949 CHLAURAODQNGEO-ROAZTASUSA-N 427.501 0.904 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277749 FBNZLKPDDJGFPJ-PIKOESSRSA-N 443.500 0.471 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1797706712 OBZOHHZVQWGOTN-DJLVLGKWSA-N 430.501 0.989 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742953 KYZTZSXXJVRREK-STZNSBDXSA-N 446.548 0.803 30 20 ICED COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1798509087 VFDKIMZEHJQHOE-RRGZJZOKSA-N 434.493 0.893 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC(F)(F)C(=O)O)C3)c1 1798576951 OTCCDEZYLRTYAX-XOIINTDNSA-N 437.399 0.880 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 1799091346 KCQPIOKYSMDNHE-QDMKHBRRSA-N 439.497 0.549 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c1 1800394514 SPXJAPKLPWPNCP-FCGDIQPGSA-N 431.514 0.647 30 20 ICED 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 1800988678 PRECGPYDLNPTGJ-AHDPXTMNSA-N 431.555 0.170 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801732141 LCJGIUYTGZTZOE-WKCHPHFGSA-N 428.533 0.416 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806275214 HCXLYNDFEYMTOH-SOLBZPMBSA-N 431.493 0.887 30 20 ICED N#CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1806863193 PGSQEWQOKDFAPP-KUHUBIRLSA-N 442.501 0.856 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818017915 YGDKGNJBBHRSSR-LZWOXQAQSA-N 447.540 0.604 30 20 ICED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829346676 XWFPOPSDGKTRDE-WJPUGNRLSA-N 449.577 0.043 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830053056 FVYPAQCQPALYMY-DRSNIGMVSA-N 435.521 0.972 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1830060603 XRQLVGQSVSTFFW-INIZCTEOSA-N 430.387 0.443 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1830457635 BZFBFMTVZBIEAL-DEOSSOPVSA-N 449.511 0.980 30 20 ICED COc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207404 IPLJXHWJBLLWCM-QHCPKHFHSA-N 428.485 0.944 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)Oc3ccccc3O)C2)C1 1831391943 ADCDUZACKUTCFK-HXOBKFHXSA-N 444.484 0.779 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1831392231 CFSQQXPKWYUUQC-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1831398378 AJNAPEYMJABQNV-HXOBKFHXSA-N 440.500 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831398749 KGBLQBIZFGCMBG-JPYJTQIMSA-N 425.485 0.975 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831427694 YIAYMTPNSCXGJU-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CCC1=O 1832379635 AAQPNPVUQOVMDF-QFIPXVFZSA-N 439.472 0.236 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833354338 ZCNCBHKZVXWCSY-XOBRGWDASA-N 449.508 0.795 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833443529 PPJRPIWJVIHCSU-HRAATJIYSA-N 436.509 0.072 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1833478202 PQZINCDTJFEKCT-UZLBHIALSA-N 438.569 0.300 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567076 GJUMNMINIAXDJC-LPHOPBHVSA-N 442.513 0.807 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1834756132 MGKFYLJVXFJNBL-FQEVSTJZSA-N 428.424 0.390 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835128961 UDHZELYLXDRNHL-FUMRIQNTSA-N 448.564 0.177 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835412177 WCMBILAIDYRQIE-HSZRJFAPSA-N 440.500 0.559 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835678013 UPRYFDSFCIXMAK-VGSWGCGISA-N 436.553 0.298 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1835682182 AVQZCPKGXCEUIN-RWWKDMOOSA-N 436.553 0.276 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3ccccc3)CCO2)C1 1837334055 NTMOCPBUNAIKHN-DNVFCKCGSA-N 429.517 0.982 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1837395237 URXZQWJESYRNRW-QVKFZJNVSA-N 434.493 0.128 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564493 RPSRNHYTZXUXHV-UFDJTSLZSA-N 439.534 0.314 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)n[nH]c1C)CCO2 1837807587 ZYXGMTPQHRBJOI-NRFANRHFSA-N 434.493 0.606 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(Cl)nn4)CCO3)C2)c1 1837837793 KBRCGOFHJYJJRB-IBGZPJMESA-N 430.852 0.714 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964071 MMQYUGZZEIQSOV-UQQIOGDDSA-N 448.524 0.806 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949397 AKBYABQXHUZSHR-ZHRRBRCNSA-N 428.489 0.543 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c(C#N)c1 1839131059 JWEVJZQPTGNEHZ-GMAHTHKFSA-N 445.516 0.583 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839213772 ZAHXXIIWRWBSDE-WMZHIEFXSA-N 425.485 0.115 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c1 1839420582 RFWIPYMEVRDETB-QFIPXVFZSA-N 441.463 0.973 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839590717 ONBXOYABUVJLFF-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839809628 CWURFESONCNCGP-JTSKRJEESA-N 435.521 0.723 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)C2)C1 1839811824 QCKZOIJUDLJHNS-NPFVIJTESA-N 433.505 0.545 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986543 RUNDITPMQQOGFP-UZLBHIALSA-N 445.582 0.922 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1840842421 FZJZRSXSUBFFLQ-QFBILLFUSA-N 427.592 0.899 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844182392 DWBQDBAYYRILJC-CQSZACIVSA-N 447.540 0.992 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845769907 MAONPXDGOPQCKG-ZZQPOVDQSA-N 426.521 0.875 30 20 ICED CN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ncnc2[nH]cnc12 60841452 SUNWQHZCKRCSTA-UHFFFAOYSA-N 428.478 0.898 30 20 ICED N#CCCn1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 438306237 PYHFXFUZMHOZDL-MRXNPFEDSA-N 432.506 1.576 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCOC2)c1=O 441954041 IKYWFYRMPSSXRM-QGZVFWFLSA-N 439.537 0.617 30 20 ICED C=CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC)C1CC1 442408352 KRSQWCQFSLXUNB-UHFFFAOYSA-N 436.534 0.747 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)cn1 460609276 UVLCVMXYDUTGDT-UHFFFAOYSA-N 429.440 0.779 30 20 ICED Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)no1 465134802 XILSJLWIZHBOLP-GXTWGEPZSA-N 429.506 1.442 30 20 ICED N#CCCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc2c(c1)OCCO2 469255926 SCVLUEVKAGDNSA-UHFFFAOYSA-N 433.446 0.110 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 477049896 KRYUMZKUEGQYHQ-UHFFFAOYSA-N 431.497 0.895 30 20 ICED Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1S(=O)(=O)NCC#N 478211488 PZIDBMZBSPRHBZ-UHFFFAOYSA-N 437.499 0.815 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccon1 480955520 RXGJKWZEGXSLGD-HNNXBMFYSA-N 438.509 0.909 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 480998239 LHBXADCPBVJXFF-QGZVFWFLSA-N 437.566 0.884 30 20 ICED C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 481768239 ZPGUKAAUJGMZBO-DAYGRLMNSA-N 440.518 0.959 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487504749 PWVJRIDIKGXBPJ-YLJYHZDGSA-N 440.548 0.901 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)C1=O 499422726 QRDXDSNFVXXHJU-LBPRGKRZSA-N 429.351 0.538 30 20 ICED CCOC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 505119529 IZJVWMDOUAUNTR-UHFFFAOYSA-N 435.502 0.751 30 20 ICED C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 505639847 XMDPGHWLNFWLIR-PWDSHUSXSA-N 436.468 0.721 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507387264 SBZMRFPMYBPPBX-ZDUSSCGKSA-N 435.506 0.506 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1Cc1ccccc1 511805389 FWRHADPXJVKULP-RTWAWAEBSA-N 425.533 0.404 30 20 ICED C=CCN(C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@@H]1CCS(=O)(=O)C1 512083989 NIGOWVDIIGMOJX-QGZVFWFLSA-N 433.486 0.696 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1 521553695 DWQRAAKPVCYMNV-CVEARBPZSA-N 438.550 0.657 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(Br)c2)c1=O 523088891 QXOYARPKSRTAHG-UHFFFAOYSA-N 436.331 0.958 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(n3ccnc3)CC2)CC1 530949849 FOMVXSSUNOWUJW-UHFFFAOYSA-N 442.545 0.925 30 20 ICED Cn1cc([C@H]2CN(S(=O)(=O)CCCC#N)CCN2S(=O)(=O)CCCC#N)cn1 544114648 QIKPAHDXSUAWFQ-MRXNPFEDSA-N 428.540 0.346 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 548604034 BWJZZSJZZXOGJG-UHFFFAOYSA-N 436.896 0.463 30 20 ICED CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 561783708 LGNZRMDZWWYYJS-INIZCTEOSA-N 425.468 0.955 30 20 ICED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 579532881 RQGLWLQVDFPPIU-HDICACEKSA-N 433.578 0.854 30 20 ICED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 580536478 FRJMIZDJSDIDOQ-IBGZPJMESA-N 427.442 0.293 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(O)(C(N)=O)CC1 581211402 HITZZYRFBURQPX-UHFFFAOYSA-N 426.267 0.937 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 583985939 FXAWVZRLFJCRTM-UHFFFAOYSA-N 425.474 0.457 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)CC2)nc1 587658747 DSJMUXMCULKLHY-UHFFFAOYSA-N 448.531 0.988 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588774345 TWOUXMCCXUEZET-WBVHZDCISA-N 447.492 0.009 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 609563895 LCEWVWPUAARUMZ-UHFFFAOYSA-N 449.941 0.907 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C3OCCO3)C2)CC1 726376270 PUHZYOMEGFOCLY-GOSISDBHSA-N 448.545 0.476 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)n1 726643765 USMIPNUSIBSPSU-LBPRGKRZSA-N 425.492 0.582 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 728535031 VTCUDKRYZUDPRR-UHFFFAOYSA-N 445.479 0.385 30 20 ICED C[C@@H](CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21)/N=C1/NS(=O)(=O)c2ccccc21 742681669 WHEUELXBGUSAQH-LBPRGKRZSA-N 448.526 0.740 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)s1 746122257 UDYNKDDARXZPHV-UHFFFAOYSA-N 436.519 0.157 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CCC)c2N)CC1 747819982 FVCAALZHBXDVHN-UHFFFAOYSA-N 446.552 0.536 30 20 ICED C#CCN1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)CC1 748809723 IHCZQDGUVXLOCY-IBGZPJMESA-N 429.517 0.944 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 749638078 KJJPZKWKILUHPG-UHFFFAOYSA-N 425.449 0.827 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 758328519 RSYYAYDTDHQVFY-ZDUSSCGKSA-N 432.506 0.374 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 758758823 JXJLZMKUADPHRY-GOEBONIOSA-N 443.508 0.771 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766511211 BGFWWGOSKIAOCJ-UHFFFAOYSA-N 430.509 0.791 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 766988000 GMAXLZLWDBIETO-CWTRNNRKSA-N 434.474 0.872 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768647372 JKVGIRVAOBRWAZ-UHFFFAOYSA-N 440.522 0.461 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(OC)nc3)c2=O)cn1 772311711 GOKBUDWDCRXQLC-UHFFFAOYSA-N 436.497 0.627 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(=O)(=O)N(C)C 774531074 SHMZHFNYYROTJL-OAHLLOKOSA-N 445.563 0.965 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 783453904 WBZHLMUFAAEZSW-UHFFFAOYSA-N 428.470 0.659 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1CCSCC1)[C@H]1CCS(=O)(=O)C1 783474753 IBBHNWBCAUPUOQ-KRWDZBQOSA-N 435.571 0.823 30 20 ICED C=CCN1CC[C@H](N(C)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1=O 799141888 FALMMXOTLWVKOP-JXFKEZNVSA-N 434.518 0.533 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 800715118 KTGSJNFCKQLVEY-CBBWQLFWSA-N 429.543 0.763 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCCOC2(C#N)CCOCC2)cc1 809079826 BZAIJKDZIQWWAP-UHFFFAOYSA-N 439.490 0.898 30 20 ICED C=CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 837286017 RANSOMKEVQYDAB-UHFFFAOYSA-N 449.492 0.742 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 838245625 ARQCAJTVHRSFJR-UHFFFAOYSA-N 447.900 0.720 30 20 ICED CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916311503 LOKVQWQTYDEZGN-MRXNPFEDSA-N 425.580 0.648 30 20 ICED N#Cc1ccc(OCCCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 920409437 FMIYJKBKXNESNR-GOSISDBHSA-N 427.548 0.462 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1 921103163 GVPQHIUXSSBPII-KRWDZBQOSA-N 426.520 0.717 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C(=O)OCc1ccccc1 1320411101 XYLCGXAWDLIXRI-QGZVFWFLSA-N 445.497 0.726 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1359474690 WCBSSADVIAMDBA-CKEIUWERSA-N 444.583 0.075 30 20 ICED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1515273691 IJKRJNLZZNFSDT-UHFFFAOYSA-N 439.524 0.488 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC(C)(C)C 1541921752 WBRAWJKKZFWIMH-ZDUSSCGKSA-N 425.559 0.933 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3c(Br)cccc3C#N)CC2)CC1 1639260936 PZMXBQBUZLOBGC-UHFFFAOYSA-N 428.356 0.935 30 20 ICED Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1cccc(Br)c1 1646147888 NMAJCTFJJRQJQL-UHFFFAOYSA-N 444.249 0.902 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 1684715473 KTPVZSGKYWNAHG-UHFFFAOYSA-N 442.538 0.448 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1=O 1698085331 JGKLDNJOSMQSSN-UHFFFAOYSA-N 435.492 0.781 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1711049295 AYCZMKYMOLZQSF-NRFANRHFSA-N 426.477 0.263 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712453398 MLICEHFJNQKPDK-MRXNPFEDSA-N 433.538 0.988 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1724012385 WPQLWWHMVDFZAB-SJCJKPOMSA-N 430.481 0.692 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1751095115 UIUWEZYBJXTTSZ-ZBFHGGJFSA-N 431.522 0.946 30 20 ICED COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767967926 KKYATYDLVVJBIP-HIFRSBDPSA-N 425.559 0.490 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779066121 CLIJBIRGNHFIIB-HSZRJFAPSA-N 437.500 0.871 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779499321 ZRANGDZSNOTBBV-JBYIUTFZSA-N 445.568 0.710 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1)C(F)(F)F 1783207640 QEOUAQPQARLZIP-SFHVURJKSA-N 432.443 0.099 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1785427681 UKLICDMNKHYVGJ-FCHUYYIVSA-N 435.521 0.602 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786565522 YTSRGXGZEOMKFL-FHWLQOOXSA-N 428.558 0.502 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678730 NLCPJCQOYKUPNL-KAFYTVBNSA-N 440.504 0.969 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnncc4C(=O)O)[C@H]3C2)cc1 1788888998 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446.508 0.477 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CC)NC(N)=O)c(O)n1 1796316734 JWOSWDARPPGEOV-LTCOOKNTSA-N 445.520 0.556 30 20 ICED 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)CC#N)C3)C1 1797120792 HPTVXVBRBLWVMG-RIUYPTKQSA-N 436.509 0.108 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797438376 TYLNKTNIBYDCRF-IBRLJDPESA-N 427.505 0.281 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797709942 CNQRQQJDIQRIFI-BAAGSCJXSA-N 442.516 0.832 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011974 GOQGKQYTBKTCJR-ZSBFGKGUSA-N 440.416 0.472 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1799350197 LKZBLKOSJMHRAK-XMTFNYHQSA-N 437.537 0.818 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800704603 NKASIVZUGSXDOF-QRHGTZESSA-N 434.489 0.429 30 20 ICED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1801206399 XQSDBWSLOBPHRX-XEMDLRDOSA-N 444.488 0.905 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804355792 VTCWWOQVHFMVCD-IIVZCXTMSA-N 444.492 0.486 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810352472 BMMCAPCMXYWHGP-HDAAZOAOSA-N 446.548 0.311 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988869 ZSKLIXAHWWZOEB-ADMJRKOCSA-N 426.495 0.593 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)c1 1828324598 QLGCZYQFHFSGGD-GFCCVEGCSA-N 428.474 0.917 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)n[nH]3)C2)C1 1829263057 GSHROFQNXQSFGL-QFIPXVFZSA-N 437.456 0.814 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)C1 1829671757 FYLDGOMUXJSOIG-NRFANRHFSA-N 429.452 0.905 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1829899179 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1834435086 FUHYPRQRROQYQB-OAQYLSRUSA-N 433.530 0.912 30 20 ICED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834519372 KSOCMOMKNYHAGL-XWRADEMYSA-N 433.509 0.779 30 20 ICED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1835843132 JCGRRZFJZDXSOV-AZHVYHFMSA-N 436.538 0.267 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CO5)CCO3)C2)CC1 1836990899 OKVXIEWXSXWADT-QFIPXVFZSA-N 440.456 0.391 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1837403781 QQRBKTAXRCEKLP-FDDCHVKYSA-N 446.548 0.552 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837672540 NFRQKARMXYUAIE-DVECYGJZSA-N 441.528 0.799 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837806152 VRTDBVKZYMYZBI-MYRHLRDYSA-N 449.508 0.626 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837882754 LPNYBWOEVLCSJI-CRAIPNDOSA-N 439.557 0.379 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1838481548 OIAUPFANUQLZPM-QFIPXVFZSA-N 436.472 0.554 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c1 1838579450 LMLWCJQBLVFBDQ-DENIHFKCSA-N 431.489 0.654 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739437 SOLUTGYYAIRCAR-OAQYLSRUSA-N 426.477 0.539 30 20 ICED CCn1nc(C(C)C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838813537 OUQMHXDVXDEWPP-NRFANRHFSA-N 432.477 0.184 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781453 QGMIVXJJQOBWTN-UGKGYDQZSA-N 446.525 0.072 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1840157244 ISTAKHJJQKEROS-MRUHUIDDSA-N 436.530 0.991 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157662 XBBLWGYRKXFVKQ-QEEYODRMSA-N 445.582 0.922 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840842620 QKQYTSDHAVCEIC-YADHBBJMSA-N 427.457 0.591 30 20 ICED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196365 PCOHOCYHONCHKW-INIZCTEOSA-N 427.457 0.840 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 21433858 ZTURKFPGZQHUFP-UHFFFAOYSA-N 443.548 0.808 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)C1=O 116294362 WCJVRFFWDLOFQH-UHFFFAOYSA-N 448.501 0.583 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 303875577 DNFKBGNERVNCAI-UHFFFAOYSA-N 444.536 0.626 30 20 ICED COc1ccc(CN/C(N)=N/Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1OC 303883789 ITJZREDJMQIXDR-UHFFFAOYSA-N 425.489 0.880 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 426987789 VUPIQYCUKCZQSA-UHFFFAOYSA-N 448.483 0.776 30 20 ICED N#CCC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 431184823 WFZFVFYCZMOSNF-UHFFFAOYSA-N 448.545 0.968 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 431978798 APGRUFDDWUAEJL-UHFFFAOYSA-N 430.486 0.734 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 434375643 WVWRRVUWTDCFTK-ZBFHGGJFSA-N 427.486 0.651 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 434762675 CEQCJBPOVYKBQM-KRWDZBQOSA-N 443.591 0.732 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)s2)c1 435438058 MVAALZHYDFBBAH-SNVBAGLBSA-N 428.517 0.833 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C#N 435840383 OZDUBNGVBBCEIT-UHFFFAOYSA-N 435.462 0.508 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 440214841 IWUUPTNUAQDVCA-UHFFFAOYSA-N 431.412 1.380 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 444083740 LMBGCCSPKFZAJL-UHFFFAOYSA-N 430.552 0.173 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 465218986 GUGVEYDIWUYBEM-OAHLLOKOSA-N 429.506 0.547 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480156031 OZTHJLBMXZQILT-UHFFFAOYSA-N 431.514 0.983 30 20 ICED COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OCC(N)=O 480522703 GIFNDDXXAHUEJE-LBPRGKRZSA-N 432.458 0.736 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481776883 JCTDTYQLBDVVBD-CQSZACIVSA-N 442.563 0.498 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 484565906 GWFWVUGPBIUUHQ-LLVKDONJSA-N 426.394 0.538 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 486001544 JBZSIWRQKAZNCX-AZNNDXHDSA-N 436.468 0.328 30 20 ICED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C1 487711863 VSBMBLHJGOCIJG-QUCCMNQESA-N 434.500 0.984 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2ccccc2)c1=O 489045716 TWYHKXRVNJDDOJ-QGZVFWFLSA-N 434.521 0.995 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1C 502015112 GYCWVIAWTQLJOS-UHFFFAOYSA-N 449.536 0.611 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1C 502057400 LPYIVDUIWHINCU-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 504992602 VXRFNCHIGFQJFF-UHFFFAOYSA-N 441.509 0.523 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 505013270 IVGWISVEUYALOR-UHFFFAOYSA-N 428.468 0.705 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-n4cncn4)nc3)C2=O)cc1 505263327 CCHJFSDKJDPXLH-QGZVFWFLSA-N 430.428 0.784 30 20 ICED COc1ccc(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 507412483 GHNHFZBMLNAPQN-UHFFFAOYSA-N 444.517 0.684 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1 524148258 MGZYVHIPNVNZHQ-UHFFFAOYSA-N 432.481 0.835 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524281818 BGJPJICGMQOSDT-UHFFFAOYSA-N 428.470 0.812 30 20 ICED C=CCSc1ccccc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533056948 KNFUZTVBSSVUND-DLBZAZTESA-N 425.576 0.991 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 537251381 VCVKLAAEBUVEIV-KRWDZBQOSA-N 444.540 0.790 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543012281 KQWMBZNYRBNMNV-UHFFFAOYSA-N 434.453 0.315 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3cc(N4CCOCC4)ncn3)CC1)CC2 550153908 IWAHWQHAXXERRQ-UHFFFAOYSA-N 447.499 0.423 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCc4ccccc4C3)CC2)c1C#N 557229977 UZMGSHLLJIDWEQ-QGZVFWFLSA-N 449.559 0.812 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2=O)cc1 557421181 SEJPTMIJIDVTKP-LJQANCHMSA-N 433.468 0.233 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2=O)cc1 573970086 FEGXXYQNSCEGBO-SFHVURJKSA-N 430.461 0.893 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2=O)c1 578460199 YFLIQGMZEBDASX-ZDUSSCGKSA-N 439.476 0.185 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 581153434 SUJIPPBOCLPRBJ-LJQANCHMSA-N 437.500 0.783 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 583343640 DPHOVAUVKRAVKE-NZSAHSFTSA-N 437.500 0.687 30 20 ICED CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)ccc1C 590709270 IMADXACEMCWCFP-UHFFFAOYSA-N 433.490 0.396 30 20 ICED COc1ccc(CC(=O)N[C@@]2(C#N)CCSC2)cc1S(=O)(=O)N1CCOCC1 603886232 MLPVVJBFOZFODV-GOSISDBHSA-N 425.532 0.774 30 20 ICED CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608961050 ACQNVTCTOUKZTR-KRWDZBQOSA-N 436.559 0.949 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)Cn2nc(CC)c(CC)c(C#N)c2=O)c(O)nc1=O 609499218 WLEXPACXRFIEFB-UHFFFAOYSA-N 443.508 0.937 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccccc2CC)CC1 728533100 AFPSDYSPEICVSK-UHFFFAOYSA-N 426.546 0.815 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 731862716 KNNMZDIIACJFPY-OSCRUYLVSA-N 432.502 0.872 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)CC1 733150332 IBTNHNBGRGWBSN-UHFFFAOYSA-N 444.532 0.496 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C(=O)NO)cc2)cc1OC 746268686 SEKLYXBUGLAPRP-UHFFFAOYSA-N 437.474 0.808 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 750515912 KADXLTUCSNBYDA-CQSZACIVSA-N 442.563 0.436 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 751922937 GRZXIKQDFLFUMY-OFJDVPJLSA-N 441.517 0.877 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@@H]1C 754509525 BNJBZEPVUKNTMP-CYNURGJPSA-N 435.550 0.991 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CCS(=O)(=O)CC2)C1=O 755563955 YLHNAJZKWJGXNF-BWORXHKJSA-N 438.575 0.885 30 20 ICED C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 756275077 IYTNURIDTGIPIF-SWLSCSKDSA-N 430.479 0.201 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 761172943 RNJUPWSZQMPYJQ-SYWGBEHUSA-N 426.404 0.590 30 20 ICED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)C2 762514002 CTTURTRQCLJNIF-XQNSMLJCSA-N 445.505 0.380 30 20 ICED C#CC[C@]1(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 764351558 MUNQXBJMFKUSDW-JOCHJYFZSA-N 434.537 0.975 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)c1 781464791 JEULLVQAIKDBDL-UHFFFAOYSA-N 433.490 0.086 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 785660658 LGYCBLAQEZFYPI-CVEARBPZSA-N 432.502 0.449 30 20 ICED Cc1cccc([C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)c1 787614001 RHXONXZMOATEFY-FQEVSTJZSA-N 436.516 0.980 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 793020430 JAZIDMWPYPRQCA-ABAIWWIYSA-N 445.451 0.925 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 793212692 SCXKLRCFDFWAJB-UHFFFAOYSA-N 428.264 0.924 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCn2cnc(C#N)n2)cn1 795182593 JXDLIPOAEVUYJS-CQSZACIVSA-N 440.489 0.854 30 20 ICED N#CC[C@@H](CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 795979245 AUIOIMJDCMPVDY-OALUTQOASA-N 433.530 0.948 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC 796241131 DRKAWMNTOYYPAT-OAHLLOKOSA-N 448.542 0.578 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)[C@@H]1CCCO1 809311901 XDARIPYJFVXYSM-WMZOPIPTSA-N 430.461 0.939 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CC1 810358737 JYBUEIMCQJFUTD-UHFFFAOYSA-N 436.415 0.356 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC[C@@H]2CCCO2)CC1 914970492 ZZUWVMFEVAIXGK-KRWDZBQOSA-N 435.502 0.894 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 915372964 PVUAWMDKUJYARG-UHFFFAOYSA-N 425.401 0.691 30 20 ICED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916899876 GWFCHRIYHRJTQJ-KRWDZBQOSA-N 426.454 0.768 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)CC1 919339298 XCUYAUWQTLQYGW-CYBMUJFWSA-N 427.417 0.524 30 20 ICED COCCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc2S1(=O)=O 919541425 ITWZONBCKOBALY-LJQANCHMSA-N 437.474 0.689 30 20 ICED N#Cc1cn(CCC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)c(=O)nc1O 1155575768 XUJDFZXZEHNFDV-UHFFFAOYSA-N 449.265 0.843 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1256686510 XTJWNXHPOXCFSW-UHFFFAOYSA-N 432.527 0.900 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1297954587 LFZOKWWQXTZVNO-QYWGDWMGSA-N 446.531 0.614 30 20 ICED CS(=O)(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1302429230 YNPAOIIUJOFPOJ-MRXNPFEDSA-N 444.517 0.695 30 20 ICED COC(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1318135262 HOXGVAGLDOTZSL-UHFFFAOYSA-N 449.533 0.165 30 20 ICED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508731558 UTQAKOBFHJLHDF-UHFFFAOYSA-N 448.549 0.971 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1509756191 IWHAQXJYPDCOIQ-MRXNPFEDSA-N 446.533 0.877 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccc1Br 1561428973 ZYNJMNLDVMXYTQ-SNVBAGLBSA-N 437.341 0.515 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617709959 RSTNHJNMOZZFPP-QGZVFWFLSA-N 430.538 0.408 30 20 ICED 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O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837492837 WSYUCOOFBVVCOU-DEOSSOPVSA-N 441.528 0.779 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837532204 AJDAHQDPZXISNX-HVHIPWAVSA-N 439.509 0.277 30 20 ICED COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838736201 PTPXSELHJXFHAD-OAQYLSRUSA-N 443.435 0.813 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906754 CXJIGWVOIHZYJX-QFIPXVFZSA-N 428.489 0.400 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839164398 MOKNYMCQVOYXEK-WIYYLYMNSA-N 437.613 0.628 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186617 FZZSNUOPPWUWET-NRFANRHFSA-N 442.451 0.139 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448274 YZPDPDSEKPWZOE-JBMWNJKUSA-N 443.456 0.880 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559722 YLQFPBHRTXBNDW-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4cc(C)ccn34)CCO2)C1 1839600567 IRXITLKJVPUIHR-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN(CC)CC)CCO2)C1 1839678369 VJEHZIOIAOKSGE-YDHSSHFGSA-N 439.597 0.994 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)C1 1839807413 YPACZQGXUHZBME-QFIPXVFZSA-N 442.447 0.898 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1839807671 DUQOFSWHNUNSRC-LJQANCHMSA-N 447.289 0.800 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)C2)C1 1840042450 VZBKVZAICCSEPN-XAPVIXHLSA-N 442.493 0.419 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840190042 AKOMAAJBNWCUFO-OAQYLSRUSA-N 447.513 0.375 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646219 KUJPLRWPSKORRP-OAQYLSRUSA-N 433.530 0.775 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(Cl)c1F)CCO2 1840752482 PDJBZBYGISLCLM-IBGZPJMESA-N 442.802 0.776 30 20 ICED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)ccc1F 1845202120 KAOSXTUZIJXURR-UHFFFAOYSA-N 448.520 0.174 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)O2)C1 1847288980 VXTPCYBATWELSW-JYJNAYRXSA-N 447.488 0.445 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512500 PAGRPCWEMHMGAL-UGUYLWEFSA-N 426.514 0.875 30 20 ICED C=CCn1c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)nc2ccccc2c1=O 10520318 AYOHPAXWDRNCQM-UHFFFAOYSA-N 443.485 0.636 30 20 ICED N#Cc1c(F)cccc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 29856584 JFROMGAXPURZGU-UHFFFAOYSA-N 445.520 0.826 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 429923802 YALPHKYJNJQYPB-ZDUSSCGKSA-N 427.552 0.825 30 20 ICED N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 440128541 GHBYRLYIZSTBHT-UHFFFAOYSA-N 442.497 0.877 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 440613598 FDIDVGPAENLGBA-RTWAWAEBSA-N 445.589 0.200 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)N1CCOCC1 441457006 ILSHYZSIZYVRMA-GOSISDBHSA-N 442.451 0.821 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 443465784 NBOSYHUSTZUBRR-UHFFFAOYSA-N 425.454 0.469 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3c(-c4ncccn4)noc3=O)CC2)cc1 444411282 LRJKEIQAJHGMJS-QGZVFWFLSA-N 435.444 0.711 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 445073142 GWFWVUGPBIUUHQ-NSHDSACASA-N 426.394 0.538 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 446679204 XJAVUCDTPQUMHA-KRWDZBQOSA-N 434.562 0.920 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1C#N 472067576 IENCXJPWGRLUOE-UHFFFAOYSA-N 435.554 0.388 30 20 ICED Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 472664302 RVURNGRWAIKLFQ-ROUUACIJSA-N 448.524 0.954 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C[C@H](C)O1 475559780 QIVGZUIQAGCNCI-IRXDYDNUSA-N 448.611 0.762 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N[C@@]3(C#N)CCOC3)cc(-c3ccc4c(c3)OCO4)nc21 478638583 KPSGTPRIPZNYNR-OAQYLSRUSA-N 435.396 0.842 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 480666404 PFGOZPAUBYQZBA-BEFAXECRSA-N 438.575 0.549 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 481438008 PYYKQPGCRLEXAE-CYBMUJFWSA-N 441.510 0.586 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 482392631 VGJWBPICNXXYDA-XJKSGUPXSA-N 430.490 0.270 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 482844077 ZCASCTVRCXTPEC-JQFCIGGWSA-N 425.532 0.793 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 490158722 NKCLCUUPFQYXTJ-OAQYLSRUSA-N 433.464 0.807 30 20 ICED COCCn1c(N)c(N(CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc2)c(O)nc1=O 502209601 RAUJECFTQCYNCL-JOCHJYFZSA-N 440.504 0.993 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664241 SDHCTUWLPYACBO-OAHLLOKOSA-N 430.530 0.487 30 20 ICED C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507506389 DTRIHZMHFLCYFX-HNNXBMFYSA-N 449.533 0.718 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508886039 WGOUWGPXTJNYGQ-KRWDZBQOSA-N 448.549 0.723 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1 515188913 DEZALTYFNICDSS-UHFFFAOYSA-N 433.519 0.505 30 20 ICED COc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516011155 XSVCPPSCNRIJQC-UHFFFAOYSA-N 429.458 0.433 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 517519421 DPAPRPJJWABOJF-CQSZACIVSA-N 444.521 0.758 30 20 ICED CCC[C@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 522589796 NXWSCHUMVCXKGA-QGZVFWFLSA-N 438.488 0.863 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 532620623 ZOTXMUKFUILQHE-UHFFFAOYSA-N 437.521 0.982 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(OCCO)CC2)cc1 534582378 WNWWYVVSCTWCCV-UHFFFAOYSA-N 425.507 0.432 30 20 ICED CNC(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 536089939 CWEMINUFNOFNLY-UHFFFAOYSA-N 442.497 0.830 30 20 ICED C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 537334913 VSPUULJYTDXIPJ-BBRMVZONSA-N 433.490 0.256 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 540382860 KOTCWYLZIPJEBY-UHFFFAOYSA-N 427.440 0.849 30 20 ICED N#CCC1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 541041327 PFFXMHZBPMXOSE-UHFFFAOYSA-N 427.505 0.839 30 20 ICED C=CCn1c(Cc2noc(CCCN3C(=O)NC(C)(C)C3=O)n2)nnc1N1CCOCC1 544284316 NJSKOQXTABMRKG-UHFFFAOYSA-N 444.496 0.538 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCC)cc1 546097004 LOHGTYRWZYTNII-SJORKVTESA-N 425.507 0.742 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546198875 AWXSCEKQXDEXDT-UHFFFAOYSA-N 442.501 0.505 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 558239866 ZSDRBYQAXVHLIY-ZHALLVOQSA-N 439.516 0.933 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 565567762 ZXRHUWMURPYMEF-UHFFFAOYSA-N 442.497 0.830 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3cn4ccccc4n3)C2=O)cc1 578225445 HURBQEWIQKIOHH-IBGZPJMESA-N 430.468 0.782 30 20 ICED C[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCCC[C@H]1C 587647227 HIVBYWVOOPXUIH-HZPDHXFCSA-N 426.521 0.944 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 603986295 HRTLXSSOCLLULQ-UHFFFAOYSA-N 445.544 0.941 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 619835907 IMNIXGDSLDJCIB-UHFFFAOYSA-N 436.881 0.532 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 728571167 CXGVPLOQVKYQFG-UHFFFAOYSA-N 443.573 0.181 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2)CC1 729810739 AWLFYMXFDPDQSC-UHFFFAOYSA-N 446.489 0.047 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730253273 VACKXZHJYHTQFO-UHFFFAOYSA-N 444.469 0.255 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)CC1 730267534 YWZZXRHDONLZPM-UHFFFAOYSA-N 447.435 0.548 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(Cc2ccccc2)CC1 732442146 KEYOOVPUJKTOJU-QZQOTICOSA-N 426.521 0.630 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1cnn(CC)c1 732797610 SMJMZDHJCIAIIA-UHFFFAOYSA-N 437.529 0.698 30 20 ICED N#C[C@@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCS(=O)(=O)CC1 732910915 WETFELVGYWZELF-HQHQJUQOSA-N 435.546 0.675 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C[C@H]1CCS(=O)(=O)C1 744990426 GIGCABDJLNQYHW-CQSZACIVSA-N 447.469 0.734 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755489439 OUNVTRYUEYNELM-DFEHZGFQSA-N 427.482 0.135 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C(F)(F)F)c2)c(=O)n1CCOC 755628764 UYMJWZWEZNFSKG-UHFFFAOYSA-N 429.395 0.963 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 756451828 KBZUQAHLXJEDHU-TXKKKEFDSA-N 425.511 0.561 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758070869 ZLCAOUTZMYRLSY-UHFFFAOYSA-N 447.495 0.993 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCCO3)c2=O)cc1 758115576 GHSUZPQMNDBZFB-INIZCTEOSA-N 429.523 0.909 30 20 ICED N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 764371653 IXIKSQNTPKAUHC-MSOLQXFVSA-N 439.559 0.420 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 764747731 VFZWPGZMXRMODE-NSHDSACASA-N 442.457 0.562 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 773220874 QICNXFYDBSCUBE-UHFFFAOYSA-N 446.485 0.775 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 782898056 YDBQOJZPXFOCBT-UHFFFAOYSA-N 425.449 0.845 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 786995544 DYHOQQJYLXIWFS-DOTOQJQBSA-N 434.518 0.884 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(Cl)nc2)c1=O 795195619 PCAFTIKCGLGJNS-UHFFFAOYSA-N 440.916 0.771 30 20 ICED COCc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 795323382 FPMFYAMGVQXKQN-UHFFFAOYSA-N 431.470 0.843 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)[C@@H]1CCCO1 809304755 PVUMDXQCDHJMEA-ICSRJNTNSA-N 426.517 0.683 30 20 ICED CC(C)S(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 811554542 INJYFMHNSLVJSC-UHFFFAOYSA-N 427.548 0.898 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)o1 816760191 HIANOKILVMKOTK-CYBMUJFWSA-N 443.478 0.353 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 855771285 IIEILGNNPDOBMU-CQSZACIVSA-N 434.518 0.920 30 20 ICED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914832512 LVIYKRRKBQKEFC-IBGZPJMESA-N 441.513 0.096 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 916774325 JVFPVNLYJATSDQ-FQEVSTJZSA-N 442.453 0.839 30 20 ICED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1Cl 916939179 FTNWAWIOANPXPX-NSHDSACASA-N 444.835 0.443 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 917018095 GPQFPXUHYULZLP-INIZCTEOSA-N 441.469 0.533 30 20 ICED N#Cc1cccnc1NCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 917155551 KEUUMGNQCSMQNH-UHFFFAOYSA-N 431.474 0.621 30 20 ICED CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCO1 1293640850 VBKYQIQSRYCAQO-INIZCTEOSA-N 434.522 0.893 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1299302764 XXHJPEIZBWDIBS-ZDUSSCGKSA-N 440.551 0.235 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1303850772 YVYHKSLTLRWLHF-ZQIUZPCESA-N 444.583 0.453 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)CC2)cc1 1467808379 UQNUNBVDNIVEOA-MOPGFXCFSA-N 432.546 0.626 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1503433035 YYEJHVUIFRHCNC-AEFFLSMTSA-N 447.517 0.767 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1508425314 QNFCILKMIWFGIA-CRAIPNDOSA-N 448.549 0.747 30 20 ICED C[C@H]1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512010772 MKPUJSHWGUMPFK-QRJUGERDSA-N 426.543 0.821 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1 1565466508 YPOCZWFNIWUPQD-UHFFFAOYSA-N 434.518 0.878 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1596823649 WICABOKNEWWZFX-HNNXBMFYSA-N 447.569 0.597 30 20 ICED CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1611711312 MFZCOXBBZQMSRE-YESZJQIVSA-N 439.586 0.737 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1618815435 LWLVOGXDYUYJRU-CQSZACIVSA-N 434.522 0.734 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2=O)cc1 1643548053 WEIJBVSMLQBYMI-PMACEKPBSA-N 425.533 0.824 30 20 ICED N#CCc1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1668689629 QAJQDNDIEZXBMI-UHFFFAOYSA-N 440.469 0.892 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1692805333 UEGZITYKVVGLAK-CXAGYDPISA-N 432.506 0.696 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1731183532 ZZBXHIOUWXFFPT-IERDGZPVSA-N 441.467 0.487 30 20 ICED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1768331436 XNQJAAVFDOWERH-SSWHHONOSA-N 432.572 0.118 30 20 ICED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771368006 KZCLCZAWVVBRRI-MSOLQXFVSA-N 446.533 0.781 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779018571 ATAHBKQDKISHSN-DUYDGHCJSA-N 425.493 0.645 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779019523 ABUULIIKZUYCHY-UXVRIJBLSA-N 428.533 0.892 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C\C(=O)NC1CC1)C2 1779335914 MHEFWLKFIBBIJZ-WJGWRPCBSA-N 433.549 0.908 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779603403 XLHPVEBESJRAMC-FOIQADDNSA-N 449.464 0.955 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)c(C#N)c1 1780394606 CSLDWIZRHAMOAE-QFIPXVFZSA-N 440.456 0.733 30 20 ICED 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 1781115804 UMXCZJNZJRQBIR-KZDUYQQSSA-N 443.566 0.362 30 20 ICED COc1ccc(OC)c(CCCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1781325494 JJYFCHZPOIUEEE-HSZRJFAPSA-N 444.484 0.944 30 20 ICED Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013899 XXMAEIXKTQJXNI-UZUQRXQVSA-N 441.484 0.844 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1782512135 ASHZLURGWLOKJR-FUMRIQNTSA-N 437.500 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)cn3)C[C@@H]21 1783530860 OEWYLZKWMPEOHO-SZWKITOBSA-N 428.489 0.542 30 20 ICED Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1785988392 HKBQPFSWHALZKQ-NINDVERBSA-N 431.493 0.907 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)cccc1=O 1788628507 LMCFRQUWLHZWLX-BJLQDIEVSA-N 441.528 0.677 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)NCc4ccco4)[C@H]3C2)CC1 1788719525 CHKXJTPYEKMYCN-OFBRJHIGSA-N 426.473 0.735 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c1 1789092077 MCKJYAYGGHKRAR-SZMVWBNQSA-N 448.483 0.663 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C[C@@H]32)c1 1789345225 SAJWZZPOXVSMKM-JNIAIEOXSA-N 439.516 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cc(C)cn3)[C@H]2C1 1791590514 GBHMOFXGKGRNKI-REAYBDLQSA-N 429.521 0.591 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1793340067 JFWXUAUJWMDCKZ-FRQROOTJSA-N 431.518 0.270 30 20 ICED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)cnc2s1 1795408559 GKNJEZNGVOLXCE-AGGWBTHJSA-N 427.486 0.571 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc(O)n1 1796377894 IRESHUHVQYXMNQ-TTYZWARGSA-N 432.477 0.828 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)n1 1796720283 FDRCDNGKJJPLFP-FVCICTRLSA-N 440.416 0.715 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797744334 CHJJDZVDVIJHKT-BGVSCUAGSA-N 439.520 0.333 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)n1ccccc1=O 1797933754 QZDGDRIRPMKMHQ-KVUKLVBKSA-N 429.521 0.471 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797969489 SHQKSHVHHNZUOH-LORHWOILSA-N 448.907 0.566 30 20 ICED 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](O)C1 1799199351 YVPQAFPPBOXDHB-IWSXDTNSSA-N 436.509 0.108 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799684585 HFLZQGVLSJHDFQ-IQJIWCNXSA-N 429.473 0.385 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)(C1)C2 1800703771 XEJMQRSEVVNCIU-NOXDKHNWSA-N 432.521 0.391 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H]1c1cccnc1 1802479916 CTRACOYXNLBPDF-JZXMRFPWSA-N 438.488 0.880 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804196821 QMVHIUZKGMHIQR-SIKLNZKXSA-N 446.573 0.621 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1807144117 WFPRFOAMRXWINH-IKGGRYGDSA-N 428.493 0.478 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148792 ZVHOGJKSVXABDF-CMKODMSKSA-N 440.548 0.990 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CC1 1807354821 WLVLZBBUMUNTGD-YOEHRIQHSA-N 432.444 0.436 30 20 ICED C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1808370093 YZMHJFYIIGBCID-DSKINZAPSA-N 426.517 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1808746680 PAWUPIYSXYTCAO-WTMNIWSLSA-N 439.516 0.567 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810250733 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C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)cn3)C2)C1 1831388665 ZYLQYRLXORBWRD-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831413279 ULOQQOBYEAULRW-QHCPKHFHSA-N 446.548 0.962 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831422108 ZZRDMQIPQXZBEB-VFNWGFHPSA-N 437.468 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)n(C)n3)CC2)CC1 1833467778 ZFEGVSZKXJKPOK-INIZCTEOSA-N 431.537 0.652 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834329623 RTQFGMOVMWFVQW-NRFANRHFSA-N 427.436 0.815 30 20 ICED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834759980 CNOPPIMYBSTTQI-INIZCTEOSA-N 426.271 0.166 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835425000 CHGDHJJXHZNBSM-QFIPXVFZSA-N 428.489 0.035 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835767654 JYRIEQYWTBQEHW-ZMPUUUETSA-N 433.513 0.519 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836449699 HQOOFOVRCUGAOU-VGSWGCGISA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1837393506 SZYIYMYOBUVQLD-JTSKRJEESA-N 433.505 0.733 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837512379 JKNTXQCRACHDQJ-GCJKJVERSA-N 439.553 0.086 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)O1 1837529250 QJUZYAOJFFUUJX-KEYDFPQYSA-N 439.509 0.539 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531534 PBRFQQRTPPRREH-YXRAUMKCSA-N 447.492 0.384 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636504 APMUGTDMGPFRNR-BMSLLPBFSA-N 437.518 0.227 30 20 ICED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)cc1 1837844436 BHQHNBFSJUXNCM-UHFFFAOYSA-N 426.521 0.848 30 20 ICED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)ccc1F 1837845021 RBGHPEDDYVOVIC-UHFFFAOYSA-N 444.511 0.722 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c(-n2nccn2)c1 1838630521 ORLQHFHANJTODQ-QFIPXVFZSA-N 438.488 0.950 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1838908377 WXLFMCPPLVGPOM-GHTZIAJQSA-N 447.513 0.205 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccon4)C3)C2)c(C#N)c1 1839132133 UZORHEMYVBFSPF-JOCHJYFZSA-N 440.456 0.868 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840140177 ROTJEXPPOBNFPZ-JKSBSHDWSA-N 433.505 0.748 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1OC 1840162116 MTHIXODHBDBOAK-BFUOFWGJSA-N 425.507 0.487 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840404730 BPCJQZQZWKXZEE-RWTMDTCBSA-N 446.552 0.681 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840496448 WMKCOOGMGHJRDH-JOCHJYFZSA-N 445.520 0.068 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)c1 1840715452 BNNNRPUBXRIUAU-HTAPYJJXSA-N 431.489 0.393 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840844167 HNRHYMSCGSMZPX-QFIPXVFZSA-N 429.521 0.202 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1840909062 LXEIGDORUVJSLB-VBKZILBWSA-N 445.463 0.625 30 20 ICED N#CCC1(CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 435959748 RHNUTUXMZQDESA-AWEZNQCLSA-N 436.490 0.180 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 437153848 HTMHMYZBOIWCCG-UHFFFAOYSA-N 430.852 0.653 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)cc1 437203735 RDWCVRQZBXXYPT-UHFFFAOYSA-N 426.458 0.814 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCSC 443674302 LEEQWZSTDIMAHI-UHFFFAOYSA-N 448.526 0.447 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443682454 MCSANWXWTYQRRV-INIZCTEOSA-N 444.517 0.914 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CCOCC2)cc1 461773674 GQPNUPWFYCKAGZ-SFHVURJKSA-N 439.534 0.725 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 464430398 YXOYUPYHGILZOO-UHFFFAOYSA-N 426.476 0.391 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 466192344 DCKJSZIJKNEPNQ-GJZGRUSLSA-N 439.513 0.879 30 20 ICED N#Cc1ccc(OCCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 469611523 OYQVRKJBHXIAEM-HNNXBMFYSA-N 428.470 0.754 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 474573708 GCJYTGIFNYQSCS-HZPDHXFCSA-N 432.525 0.224 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 477166922 MWQVLCLVTZZSOJ-HNNXBMFYSA-N 446.475 0.617 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C#N)cn1CCOC 481390032 BPJAYIBLYXAGOO-HNNXBMFYSA-N 443.464 0.843 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 489323782 UHZMLHJGSVAVLV-KOAZEORRSA-N 449.558 0.774 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 505965600 JWWDRLNUDVOWNT-QGZVFWFLSA-N 431.537 0.894 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509604189 MSQCGFLNJZTSAU-AWEZNQCLSA-N 436.581 0.455 30 20 ICED CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CC(=O)N(C)C1=O 513932564 XYTUOPUDZYAVGH-CVEARBPZSA-N 425.445 0.759 30 20 ICED CC(C)(O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 517321976 OGMAUUIZBXTFJZ-UHFFFAOYSA-N 434.562 0.874 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 517779014 NUQUKMSUFPKGME-UHFFFAOYSA-N 445.495 0.490 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 518034935 XOHJCFRHYPHZPV-UHFFFAOYSA-N 428.470 0.972 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC)c1 519187753 HGTOKGOHUIXGSS-GOSISDBHSA-N 445.516 0.457 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 523078675 ZESDZZKXEPOBLA-UHFFFAOYSA-N 441.492 0.834 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536606579 QWNQJBRLSKRSBF-KRWDZBQOSA-N 444.517 0.840 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)CC1 538273383 JXSLUPIPEJCZLY-IBGZPJMESA-N 444.605 0.697 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)cc1 541829772 KXXUCBBPQKIKJF-HNNXBMFYSA-N 426.520 0.151 30 20 ICED Cc1noc(C)c1CO[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 547270732 JGNCOOVLTMLSTH-SFHVURJKSA-N 449.471 1.559 30 20 ICED CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 551189058 BGAWDSOXHIUHTA-CYBMUJFWSA-N 435.893 1.229 30 20 ICED N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)o1 553437343 UABKGGPTLVQFDF-UHFFFAOYSA-N 425.488 0.792 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O 555593185 FIOBMWYWKTWIRP-UHFFFAOYSA-N 430.436 0.657 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1Cc1ccon1 564696755 HFNWKJJRUCSNGW-UHFFFAOYSA-N 436.493 0.984 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 576095980 DWMRUBYFBVGRFW-QGZVFWFLSA-N 431.512 0.357 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 578053658 UHQIFPYSHHNHIP-UHFFFAOYSA-N 435.550 0.239 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC3CCN(CC(F)(F)F)CC3)CC2)c1 581627420 IKWLTNBWQGPXTA-UHFFFAOYSA-N 438.454 0.992 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(CO)C[C@H]3c3ccccc3)n2)cc1 584024595 PGJNNWAWXHMBMI-WMZHIEFXSA-N 430.468 1.419 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(C[C@H]2CCOC2)C2CC2)CC1 603662298 OJZYSEAAJJUEOT-QGZVFWFLSA-N 432.546 0.892 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 604269873 GXIPCQGEWGAYKC-UHFFFAOYSA-N 448.495 0.696 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 608911893 VFERDCXAGCYMSU-UHFFFAOYSA-N 434.477 0.545 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccn2C)CC1 610799119 MXNPJRMQSUHPQO-OAHLLOKOSA-N 429.502 0.548 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CCN2C1=O 611610195 JPHBVTKOBKCLMJ-HNNXBMFYSA-N 439.407 0.316 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)(F)F)C1=O 726403374 JWMWXMORZATUJE-RIVUKREYSA-N 438.453 0.832 30 20 ICED NC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1Cl 730798601 MHVDEGOVCSHYCT-ZDUSSCGKSA-N 434.905 0.839 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)cc1 731238024 TXUZMSIYCNQBKP-UHFFFAOYSA-N 437.474 0.447 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3OCC)CC2)c1=O 732408786 YLKXOVXXBZXATA-UHFFFAOYSA-N 427.505 0.722 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 733149886 WLRFEVPJJFPSQG-UHFFFAOYSA-N 439.310 0.398 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)C2=O)cc1 733830176 GBMJAWVONORMSC-JKSUJKDBSA-N 441.444 0.173 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1C(=O)NC1CC1 741341593 LBYOTGRVVSHXRV-XUTLUUPISA-N 426.429 0.977 30 20 ICED COc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1C(N)=O 755538850 VHYUQRBQMITDJM-FZMZJTMJSA-N 431.449 0.608 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccn1 755548716 QRNYQTAULRAJMR-SWLSCSKDSA-N 430.465 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 758048887 AJMKXBCAORSEBO-UHFFFAOYSA-N 428.857 0.886 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758075937 NVBYWRSEJZDUIG-UHFFFAOYSA-N 441.582 0.573 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 758076657 QEIPPGFTOGDJHR-UHFFFAOYSA-N 445.447 0.935 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(-n3cccn3)c2)c1=O 760376815 BDWUTYABYNHNGS-UHFFFAOYSA-N 425.495 0.167 30 20 ICED COCC#CCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 762852935 OBXBXPDGKSPDIR-UHFFFAOYSA-N 438.502 0.501 30 20 ICED CC(C)(NS(C)(=O)=O)c1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 763359870 YMQOSSNMDDZPOC-UHFFFAOYSA-N 427.508 0.525 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC(N)=O)c2=O)c1 772312702 HTBHTEDYPSJAEO-UHFFFAOYSA-N 428.420 0.398 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cc[nH]n1 772655086 DWCBHJBZMGRTIZ-QGZVFWFLSA-N 427.461 0.919 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)[C@H]1CCCO1 773786354 GPQQSALYXIBCMC-NWDGAFQWSA-N 437.474 0.194 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)nc1 782774177 QRIPDXUYGLEHPZ-UHFFFAOYSA-N 439.480 0.114 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 783303125 DQICWYIMSBJMQN-UHFFFAOYSA-N 443.547 0.158 30 20 ICED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785205503 MCNZTOXHVFTQPC-PSXALWSISA-N 442.563 0.663 30 20 ICED C[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCC1 787739764 RGIRWGXNQJODNI-FZMZJTMJSA-N 429.882 0.473 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(F)F)cc1 788339784 POARMMADBWFRLQ-PXLXIMEGSA-N 432.449 0.836 30 20 ICED CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788537213 TWPJMSVCOCMUEU-UHFFFAOYSA-N 434.497 1.000 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 796121119 HKMHCDWEUHYCQM-UHFFFAOYSA-N 425.938 0.788 30 20 ICED CS(=O)(=O)c1nnc(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 803258768 PRRAVFIKTIAGPC-UHFFFAOYSA-N 430.489 0.491 30 20 ICED COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810348540 XBWGYRQVULVUCY-QGZVFWFLSA-N 436.428 0.944 30 20 ICED CN(C)c1c(COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c(=O)n1C 814065622 LXSYHILSDWMXCT-CQSZACIVSA-N 429.452 0.730 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 916833054 BMVVCMONZNPCEI-UHFFFAOYSA-N 427.465 0.337 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)nc1 1115968646 QBUFEXIISXPRKP-RDJZCZTQSA-N 431.518 0.074 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1288159579 HOLCLSQOUPTXRQ-MRXNPFEDSA-N 440.556 0.988 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1288826888 WPPVAPKFKBIARB-CZUORRHYSA-N 430.506 0.262 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCNS(C)(=O)=O 1323488446 SMUKUSUVBWDFDH-CQSZACIVSA-N 431.536 0.766 30 20 ICED CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1329005149 SHZKTPLZXWEVTE-YWMAMYRUSA-N 441.554 0.604 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1509684883 QEKXEOAUDVQXIJ-OAHLLOKOSA-N 435.554 0.170 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1541992216 YXBAYRANHNKYME-INIZCTEOSA-N 449.581 0.926 30 20 ICED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1552696244 UCWRBPPQTGBTSY-UHFFFAOYSA-N 425.493 0.876 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1555809719 ZYDTWYVAUQEAGY-WBVHZDCISA-N 443.533 0.410 30 20 ICED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1743868263 KILCDODVVDMYHW-IKGGRYGDSA-N 441.602 0.937 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1747189332 XYHBYTDAEBVJAB-UHFFFAOYSA-N 433.538 0.843 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)COC1 1751303624 BWMIPLUBEMTBOA-GUYCJALGSA-N 428.490 0.089 30 20 ICED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1766311486 JMQLGUSEKREHFA-MRXNPFEDSA-N 432.547 0.635 30 20 ICED Cn1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2c1CCC2 1777960232 LUWZXGMFYLBVLL-QFIPXVFZSA-N 428.537 0.634 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnn2c1 1779020089 XVCLXZXBWCHAGB-XOBIUNJKSA-N 439.520 0.953 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1779138823 GXRNXJSBHRPSMG-YMPNPXLXSA-N 426.473 0.951 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779377593 CYTTYWIGNYDGHR-OXQOHEQNSA-N 432.550 0.498 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1cccs1 1780247748 LSBCADXLRFXSCX-YADGQWAMSA-N 428.470 0.714 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780351476 MYSVAOKBQNTDQG-NGXITPROSA-N 430.509 0.335 30 20 ICED C#CC(=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 1781061017 VFRSWKGETJWKDL-SVQXRNPESA-N 433.505 0.474 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1781171333 SAVHDJABGFRLTD-UZUQRXQVSA-N 440.500 0.465 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)Cn3ccnn3)C4)c2c1 1781204467 AYDZGVHUULWUHK-XMSQKQJNSA-N 448.487 0.854 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1782181398 KJUVSRIQFDMUIR-YRILPIOLSA-N 442.563 0.284 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(O)cn2)C1 1782631225 YBEFEMGTQAMZNJ-TWEUYWRPSA-N 442.516 0.702 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1782704989 DUGWAEKCIGKUBO-FOIQADDNSA-N 426.466 0.887 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783116208 CNECPLSFRWRDRD-UGKGYDQZSA-N 442.553 0.725 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCC3)c(F)c1)CCO2 1783567016 OSRYXGYBORURTI-JOCHJYFZSA-N 429.448 0.957 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4ccccc4)CC3)[C@H]2C1 1784017719 MKSYGHUBNBGONS-JBACZVJFSA-N 439.512 0.971 30 20 ICED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785519892 JDQDPEVNMQOENK-XXQLFBPNSA-N 442.520 0.246 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1785575703 BOFSFXDTLNFFIQ-VGOFRKELSA-N 433.505 0.712 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1789891310 MDGKHUYEWVUYEM-YDHLFZDLSA-N 435.437 0.421 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ccnn4c3)[C@H]2C1 1790442244 DTVGTLDGSLIVEO-HYGDWFSYSA-N 437.500 0.786 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c1 1792831995 FBWSZCLKUNWRLS-HATOLVCRSA-N 440.500 0.923 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1793033554 ULPPJDYTYGWXQP-QTNLDPDJSA-N 426.513 0.910 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793383220 QQFKIYOPAQLRJS-GGNLRSJOSA-N 431.518 0.247 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1 1795289127 OBSAKDFZLZGGGS-SUYVIKNLSA-N 439.512 0.757 30 20 ICED Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)nn1C 1795411914 BRPPMWGGGVNKEX-DABQJJPHSA-N 436.310 0.998 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c(Cl)c1 1795635769 KQFBLACCJCHRJD-VLWCASSMSA-N 433.896 0.008 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)ccc1Br 1796029568 ANADNWHSCGOSDO-AGGWBTHJSA-N 445.277 0.956 30 20 ICED O=C(CC(F)(F)C(=O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796351298 BZGVPNAXJXHODZ-OLFZTZOJSA-N 433.408 0.215 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)c1 1797240011 XNIQRKGRCMXDHM-PIBIMKELSA-N 439.560 0.764 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797608591 XSMGUISECYSYAR-XSVFBRIYSA-N 443.529 0.796 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1797647531 HRPUYDMZZHKLPG-BASYENTBSA-N 426.477 0.389 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cc(C)on1 1798509577 QEORNWBNSGISEK-MUJYYYPQSA-N 432.477 0.860 30 20 ICED 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)CC#N)C4)[C@H]2C1 1800739658 GQHPHUKZQZUYKI-CQQDWVGSSA-N 448.520 0.372 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccn(C)c2=O)[C@H]1c1cccnc1 1802479151 YGYAMXXQDVITJH-LKWHPCHFSA-N 449.511 0.958 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)C1 1806005586 VJNYCPVYKNJJEP-KRWDZBQOSA-N 437.500 0.973 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1807189256 FCPUHNMLVWGWSC-QTEQDKRBSA-N 448.527 0.795 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)CCC1 1810357015 LNTJYLVXYJEYCK-GGPKGHCWSA-N 427.505 0.432 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812391305 TXMFKNVNOWUHDQ-XYJFISCASA-N 446.504 0.204 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)[nH]n1 1814438394 NPMOHNGICLJCBF-SSEIGLDNSA-N 448.480 0.325 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666600 XLIZUOPYIBASKB-XDBSWNNNSA-N 433.494 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](NC)C(=O)O)n[nH]1 1817363941 ZDMUTWJDTACJLF-XAQJJABOSA-N 432.481 0.323 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n1 1819551700 MUOJKWQCWAHNKU-HNNXBMFYSA-N 440.460 0.790 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 1829262441 QNDRPPXFQXBELH-QHCPKHFHSA-N 449.467 0.881 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 1831397498 RUOAYANVYKPEFK-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832360092 PFBUGZJQKYULDP-MBSDFSHPSA-N 431.533 0.647 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1832917146 GHVAIRGNPXVTEX-GBESFXJTSA-N 449.596 0.809 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833476795 CGOIQNBSSJHIBE-MRXNPFEDSA-N 432.521 0.074 30 20 ICED CC(C)(C)n1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1833995691 KJXIMSGJXWPEJN-UHFFFAOYSA-N 429.521 0.911 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncnc2)CCO3)ccc1F 1834308186 XWRICLDHIOFMBC-QFIPXVFZSA-N 439.447 0.800 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)n1cncn1 1834715821 LAWGAYGUAGGORG-QGZVFWFLSA-N 444.584 0.693 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1834765865 WRZYXODKBTXXLX-LJQANCHMSA-N 428.405 0.455 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102894 PGUBVAFTZKQNNV-OTRAAIJSSA-N 425.485 0.534 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cccc3C=O)CCO2)C1 1835954865 CYRWYJLRRJSFOF-LTMIRXACSA-N 447.532 0.891 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486307 AEWVRZHFXWSEIN-JPYJTQIMSA-N 449.548 0.056 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837682007 LWHRLKNTFYRNSE-LAUBAEHRSA-N 435.546 0.785 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc5c4OCO5)CCO3)C2)CCC1 1838480979 UMQYMWKGTGTCKQ-NRFANRHFSA-N 428.445 0.574 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cc3)CCO2)C1 1838961548 QDZVJGNFFXNMQU-JPYJTQIMSA-N 429.517 0.861 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839039938 KHFPWDUFMHTHLC-GGAORHGYSA-N 445.491 0.873 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1839174458 DIPGTQPTTBXQGC-NRFANRHFSA-N 434.493 0.552 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839217022 AIAMUBRWAMLVNL-YCRNBWNJSA-N 430.501 0.949 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nc1 1839225830 VQFASHPPZANWEO-HRAATJIYSA-N 434.493 0.961 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839410185 PDXAGCJMAWPVBJ-LHSJRXKWSA-N 438.427 0.779 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ncc[nH]5)C4)C3)c2c1 1839487847 ZCBNAXNADMLXPA-NRFANRHFSA-N 435.444 0.541 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488986 LUEIBCIZQCNDKB-JOCHJYFZSA-N 438.488 0.066 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839888197 BZFRFIZTJWSBGK-LJQANCHMSA-N 425.432 0.667 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-c4ccccc4)n3)C2)C1 1840042791 OORKTCCCYWKEOR-DEOSSOPVSA-N 449.463 0.907 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840165909 NLQXLHDATHFYDG-VFNWGFHPSA-N 436.530 0.790 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840166876 JCRLKYKCMQADHL-NRFANRHFSA-N 449.529 0.359 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840321736 GZKWRKNQARSCFA-OAQYLSRUSA-N 430.461 0.179 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840490747 KWTNEYYCCSTLQT-VGOFRKELSA-N 446.552 0.491 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816440 SNHGRVMUPYYXLJ-PNCHPQGNSA-N 445.516 0.892 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840856891 DAKBWDPPKNGEJT-NFBKMPQASA-N 447.507 0.905 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840879732 ZWNGKPMJOBVIFQ-AUSIDOKSSA-N 443.500 0.820 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)CC1 1844282880 PTUZECMXYSZQBI-UHFFFAOYSA-N 430.549 0.053 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1845251422 UBGGHMSVJHFPRC-CABCVRRESA-N 426.514 0.876 30 20 ICED C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 19121724 TUNQGLVQVHWOPC-UHFFFAOYSA-N 430.438 0.800 30 20 ICED Cc1ccc(-n2c(Sc3c(C#N)c(=O)n(C)c(=O)n3C)nnc2N2CCOCC2)cc1 22018915 LQBDXCFXUUZOHB-UHFFFAOYSA-N 439.501 0.833 30 20 ICED COCCCNC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 109826648 AGLJTHZFNHGJDQ-UHFFFAOYSA-N 436.534 0.570 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCO1 409560448 FHPLMDSGQSBSTA-HNNXBMFYSA-N 432.424 0.932 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)C1=O 440277561 CPJBSMDIKGWPEX-QGZVFWFLSA-N 436.534 0.949 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 446911525 IBIGBGAMBXZQCQ-UHFFFAOYSA-N 444.398 0.941 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCOC1 461593612 FVMHGVFPBCCABC-JKSUJKDBSA-N 439.524 0.830 30 20 ICED C=CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 474086804 DUESLFQARUTUMZ-UHFFFAOYSA-N 430.552 0.706 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)o1 476540389 FBPZCGLEXRBVDY-QZTJIDSGSA-N 445.497 0.646 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OCC)n2)c1=O 477449494 FTVZQZKOYBMTJC-INIZCTEOSA-N 440.525 0.688 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 478850290 FBBRXTXUKUZCKR-UHFFFAOYSA-N 445.545 0.668 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 486077601 NURDJGPNTNQTNA-ZDUSSCGKSA-N 436.515 0.531 30 20 ICED COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 491270919 LEVNWGCOOPTKMK-IAGOWNOFSA-N 428.445 0.544 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(S(C)(=O)=O)c1 498221182 WLRSFGDRFRGZDF-UHFFFAOYSA-N 443.485 0.653 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 508463009 CBEHJBOGICNJHG-UHFFFAOYSA-N 432.554 0.720 30 20 ICED C=CCn1c(Cc2ccsc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508803362 WRVMSMFQIWZDML-UHFFFAOYSA-N 428.522 0.583 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509445391 CRELRHDUJIDFSF-FXQLRMTLSA-N 434.588 0.434 30 20 ICED N#C[C@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@]12C(=O)Nc1ccccc12 513661619 UCIDCIPQQMBPPA-HJPURHCSSA-N 433.468 0.512 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 520255158 QWZYWVYJCULSKV-QGZVFWFLSA-N 448.545 0.865 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 522383161 HGJZYSCLSVUMHB-UHFFFAOYSA-N 447.520 0.304 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)C1=O 522727131 KSCUIOJSFKWPOY-UHFFFAOYSA-N 448.480 0.297 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC(C)C)c2)c(=O)n1CC(N)=O 535081636 COMIGXMAWBZJQD-UHFFFAOYSA-N 442.541 0.459 30 20 ICED C=CC[C@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 539322362 OUOYPLYUYOTTDJ-INIZCTEOSA-N 441.525 0.740 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 539916542 LXLGPTNRDYQSIC-SJCJKPOMSA-N 441.469 0.614 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c2)CC1 545205709 COGWNVSMTVFTRX-UHFFFAOYSA-N 441.513 0.863 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 545492954 ADBBQUDNCWQRRK-AWEZNQCLSA-N 442.432 0.374 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 548617087 DNXLWNNVSCZJFY-MRXNPFEDSA-N 425.510 0.456 30 20 ICED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 550203058 XIKLRWFZWRCXGT-IAGOWNOFSA-N 428.537 0.606 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2OCC(F)(F)F)CC1 556000260 FDJVCQAVFJOFEA-UHFFFAOYSA-N 443.426 0.085 30 20 ICED COCCOCCCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 559481551 HPUYXWZJEJLCMX-UHFFFAOYSA-N 425.489 0.924 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(CC)c2)CC1 561452103 CIOKHQQEDSYIDY-SFHVURJKSA-N 437.566 0.358 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1C#N 561856050 IOIUFUAXXSAIMZ-VQIMIIECSA-N 439.524 0.527 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568129539 ZUQSVAWZPMCCII-GUDVDZBRSA-N 444.488 0.107 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 569101137 WSEJMSTYDGDBRF-UHFFFAOYSA-N 434.449 0.877 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)c(F)c1 570877784 CRCHDXHIZUEQHY-IBGZPJMESA-N 440.479 1.535 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 577976745 NLSCXMSBAHQUJD-UHFFFAOYSA-N 444.517 0.764 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 578455923 DTWBCYVZVBMIOX-UXHICEINSA-N 444.532 0.430 30 20 ICED CC(C)Cn1c(N)c(C(=O)CNc2ccn(-c3ccc(C#N)cc3F)n2)c(=O)n(C)c1=O 581904193 DFJATGKLRAODAW-UHFFFAOYSA-N 439.451 1.276 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 584207075 BEXQVPRLPYUSQY-UHFFFAOYSA-N 442.541 0.912 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 604526688 CGZPGFCKJUVAGJ-GOSISDBHSA-N 433.534 0.433 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(OC)nc1 608884242 WFKRWKQJVCADHT-UHFFFAOYSA-N 437.437 0.460 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c1 729250280 HRDGSDQPEFUCPA-UHFFFAOYSA-N 446.460 0.595 30 20 ICED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 730390314 VLBXZSHNDRVKJS-JZRFMTABSA-N 435.506 0.175 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nc1 731606047 QRRNKJBPHBCWFW-BBWFWOEESA-N 433.534 0.591 30 20 ICED CCn1c(=O)nc(O)c2c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc(C3CC3)nc21 731886660 AZDAATFBZLQWJS-SILNSSARSA-N 438.444 0.651 30 20 ICED CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 732408849 QPOSHQVVQDUUAH-ONEGZZNKSA-N 438.444 0.515 30 20 ICED N#CCCN(C(=O)CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccccc1 733700577 ZJFJTSCAIABGOF-QGZVFWFLSA-N 430.486 0.679 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 740518885 RLTWPICUMDBIFT-UHFFFAOYSA-N 431.562 0.318 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 743887028 GDXQBLBAKLYVEC-UHFFFAOYSA-N 430.436 0.069 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C3CC3)c2=O)s1 752190142 ILFJABQPMGCZFY-UHFFFAOYSA-N 443.598 0.931 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(Cl)c(F)c2)c1=O 758056466 VLPKKRNHCWHREN-GFCCVEGCSA-N 433.892 0.990 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCn1nc2ccccn2c1=O 766352590 HGEROCBDZHUFJN-CQSZACIVSA-N 429.458 0.668 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCOCC1 767402441 UTQCBPBNMATESC-UHFFFAOYSA-N 439.465 0.522 30 20 ICED COc1ccc(-n2c(C)cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2C)cc1 771891158 JUDLSNMFWOBVRR-UHFFFAOYSA-N 445.501 0.813 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3c2ccc(Cl)c3Cl)c(=O)n(C)c1=O 771896495 AOORILSCSKUWLP-UHFFFAOYSA-N 433.273 0.856 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1CCS(=O)(=O)C1 783480784 UPGHQIOYNXGIEP-GFCCVEGCSA-N 437.430 0.344 30 20 ICED CCn1c(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc2ccccc21 785461952 PKCLKVVMFYUHAZ-UHFFFAOYSA-N 434.504 0.935 30 20 ICED C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 794726560 BWBDWKRDXSOVMD-UHFFFAOYSA-N 442.428 0.563 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 798228693 PDFPRIWQLBHAEE-YPKPFQOOSA-N 435.430 0.488 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 811153964 WXGUSKPENUBMFN-LRDDRELGSA-N 425.463 0.082 30 20 ICED COc1cccc(C[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)n2nnnc2C)c1 813983036 FGGYTBLKSWELEQ-QGZVFWFLSA-N 427.446 0.546 30 20 ICED CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 839354469 BUBRCVNNVHVOHV-UHFFFAOYSA-N 449.536 0.557 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)ccc1F 914657210 CEKLXEXVESKVRJ-TZMCWYRMSA-N 441.481 0.559 30 20 ICED C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918261182 SNOPSIPGMQQMTN-RYPAHKROSA-N 432.506 0.839 30 20 ICED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 918760754 ZYHJTGMPLSIOLW-UHFFFAOYSA-N 429.433 0.352 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288977846 RWJDQUCGTUFGEY-YZVOILCLSA-N 435.554 0.641 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1316101274 GDWYRXUWMAALSR-PMPSAXMXSA-N 426.543 0.633 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1316532270 YERTUZOJZAQPDU-UHFFFAOYSA-N 444.517 0.300 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1544555317 UNHLBSJFMFSNRI-VLIAUNLRSA-N 444.517 0.033 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)COC1 1691237636 WUEGKJUGQILHON-YJYMSZOUSA-N 449.487 0.965 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC(O)CC1 1692536352 COKVCTZOHGBAOE-SFHVURJKSA-N 444.584 0.440 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCC3)CC2)c1C#N 1707808003 VMGPABLBKDJZMQ-UHFFFAOYSA-N 441.540 0.572 30 20 ICED CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1710193758 ZHEXGXYFYVQJTD-BEFAXECRSA-N 434.497 0.852 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1751987538 UMWFIBILHBLSBG-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1766723327 PFAAYBIXYFIMCO-SFHVURJKSA-N 445.549 0.277 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779101949 AEQHUDIBKBAAEF-GAMXZPBPSA-N 433.509 0.955 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)C2 1779334984 COIGEWSDWLXLCV-PEOGOYOCSA-N 438.569 0.781 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1)C(=O)O 1780802627 XKSGUAVUXAHJEM-ZFCANOHDSA-N 426.514 0.364 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567769 ZBCNGHHJFIWHBN-OPAMFIHVSA-N 449.504 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN(C)C(=O)C(=O)O)CCC2)cc1 1785841554 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N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1800442079 DMVIAXDHFNZFCT-OPVJXMOQSA-N 426.473 0.758 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802040778 QFCHAYWYGYSVPN-HNJRGHQBSA-N 442.491 0.766 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804182871 ILNWHQCRXDCGDZ-WBAXXEDZSA-N 433.534 0.594 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CNC4=O)CC3)C2)cc1 1804941476 CQCNRKXNYPMHQL-UHFFFAOYSA-N 437.500 0.884 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]1c1cccnc1 1808223451 OMGHWYGQTLWUGN-GAAMPABNSA-N 442.520 0.393 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1808852644 LNPYTBFDVKKTIS-BOFXEDATSA-N 447.536 0.539 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810356288 ISRIUYDWOVPMLZ-ZYSXNJCLSA-N 431.493 0.705 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391622 AKJOWEQLAOYFDM-AZUAARDMSA-N 449.467 0.816 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819892159 XTSUTCRGEZMLIH-MGPUTAFESA-N 441.513 0.891 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1822920693 MTWLAZONDGKBBF-LLVKDONJSA-N 449.489 0.116 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)ON=C(C)C)sc2C1)C(=O)O 1823080565 YIJQHCGANIOHFF-DMDPSCGWSA-N 425.511 0.919 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328761 IPBZPWAOXMDUGH-GFCCVEGCSA-N 432.493 0.553 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc(O)n3c1CCCC3)CC2 1825666410 ACKJZXGWFPRALI-SNVBAGLBSA-N 429.458 0.695 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)n3cnnn3)sc2C1 1826985997 CNMQMNOYJCLNTC-NWDGAFQWSA-N 433.494 0.812 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632287 SSSTZYHOOCUNOD-JOCHJYFZSA-N 428.489 0.035 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833873535 QFKJRFBPLHAUBR-JTSKRJEESA-N 433.505 0.028 30 20 ICED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834074943 WJUSFWKIOGZQBR-LPYMAVHISA-N 427.509 0.712 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3OC)CC2)CC1 1834080968 UTKGCDBEFCEJAO-MRXNPFEDSA-N 431.537 0.652 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2)c1ccc(O)cc1 1834723502 UWQYHBACEMHTPL-CVDCTZTESA-N 428.485 0.935 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C1CC1 1834758856 YFPSWISCDGLIMC-LAUBAEHRSA-N 436.509 0.660 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1835100150 BYYCHWRMSFIVSX-XMMPIXPASA-N 445.479 0.851 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835680674 JJDACFOCUQVZOS-OAQYLSRUSA-N 433.509 0.264 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681296 WQZFSWHLFURYBM-JOCHJYFZSA-N 431.537 0.685 30 20 ICED 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MKVHCGCJVHXUJM-RKGQZRNOSA-N 445.541 0.671 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc4ccccc4o3)C2)C1 1840042941 XWSAMQYQOMRYFD-AWUSRGSFSA-N 438.436 0.990 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-c4cnco4)c3)C2)C1 1840043648 MCACSZNCTUUXTC-JOCHJYFZSA-N 439.424 0.500 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840044881 FGJYIRALGXVZGL-HXUWFJFHSA-N 436.848 0.507 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc[nH]c4C2)CCO3)c1 1840363647 DEPZIWNGGZJWMI-ZHRRBRCNSA-N 438.488 0.485 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840842057 KQPXGPCDGMRKBS-GOSISDBHSA-N 439.310 0.666 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840912215 CDJWQCFTORYKBL-NPFVIJTESA-N 448.520 0.826 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223165 FUSDHLZKGUFMHO-LMMKCTJWSA-N 427.501 0.408 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841300431 ZIMCYDQUHJLHAB-CABCVRRESA-N 426.514 0.876 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1843216149 ZQRBQAWUVJOYIB-YDZHTSKRSA-N 447.561 0.915 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843526981 ZATQCBLKJJTJMS-FPLPWBNLSA-N 439.516 0.594 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844822204 UOUVKDHSRQNQKX-OAHLLOKOSA-N 432.477 0.901 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845438849 WLVSPPNBXJUZKX-BBQGRHSISA-N 440.497 0.562 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C(=O)OC)cc1 1847265272 UJWCFRXIZVUVHN-IDPBEMBBSA-N 441.484 0.912 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cn1C 110005066 GTYTVWSCVLUFJP-ZDUSSCGKSA-N 425.511 0.671 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCO1 409558208 OGYLREHIHABIKC-OAHLLOKOSA-N 432.499 0.038 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 409594017 KEFQNVTWYMOZIC-GDBMZVCRSA-N 430.552 0.570 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2)cc1 427515677 UQYKUBUBIJIPEN-AWEZNQCLSA-N 449.393 0.664 30 20 ICED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 427702012 PNJYREFHLDNNIV-OAHLLOKOSA-N 440.479 1.533 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430397991 XLYRFBVEJNUGJP-UHFFFAOYSA-N 436.490 0.465 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 437064956 QLEQRKLVHCXLJC-RDJZCZTQSA-N 428.493 1.383 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1=O 439342862 ACDCBAWRJFVILR-SFHVURJKSA-N 435.550 0.873 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1=O 440257094 OICDGIQSKNZEAN-GOSISDBHSA-N 444.557 0.988 30 20 ICED Cc1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1C#N 443029041 WFHWBSNDYFEMMU-QGZVFWFLSA-N 441.575 0.767 30 20 ICED N#CC1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 443337730 VWGYZQBZAUMQNA-UHFFFAOYSA-N 447.517 0.192 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(O)CCO[C@@H]3C)nnc12 447739685 FXYKPGTUHPGKDF-ZUOKHONESA-N 429.502 0.978 30 20 ICED CS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 461371705 BQXDTSWFOCAILQ-HNNXBMFYSA-N 447.517 0.964 30 20 ICED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 465201466 WUWRGNVKBBKDGC-KZNAEPCWSA-N 425.537 0.718 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 470199880 HKHQUSUILQJSFU-CYBMUJFWSA-N 445.505 0.153 30 20 ICED Cc1nn(C)c(N2CCN(c3ncc(Br)cc3S(N)(=O)=O)CC2)c1C#N 472439572 UFMWPGXEYACXEA-UHFFFAOYSA-N 440.327 0.732 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OC)s2)c1=O 477452461 MSQRPPGNUNUBSU-ZDUSSCGKSA-N 431.539 0.964 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc(OC)n2)c1=O 479389286 HVQXKUKWBHMXBA-OAHLLOKOSA-N 443.525 0.849 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@]2(CCOC2)O1 483206562 ULTJLWDRDKAQTP-UWJYYQICSA-N 448.545 0.271 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489422767 NJIYUNUHZDAYSI-HZPDHXFCSA-N 436.534 0.565 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2=O)cc1 503936201 IWVBZHLBVIFIJA-MJGOQNOKSA-N 426.521 0.940 30 20 ICED C[C@@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1cccn1 506035201 NPQAMRKZNPYMNC-INIZCTEOSA-N 444.517 0.307 30 20 ICED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508881000 OFGDPLKSJPBTAS-QGZVFWFLSA-N 426.525 0.921 30 20 ICED N#CCCn1cc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 512134984 CQXBOZVJHSMCQB-OAHLLOKOSA-N 433.446 0.915 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 514646263 ZFWREOIWHRJEQZ-UHFFFAOYSA-N 441.509 0.538 30 20 ICED Cn1c(=O)n(CCS(=O)(=O)c2ccc(C#N)cn2)c(=O)c2ccc(C(F)(F)F)nc21 519794156 YUGSFFNHTFJFEO-UHFFFAOYSA-N 439.375 0.855 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523089542 LVQCQUAZZRYYRB-UHFFFAOYSA-N 441.509 0.515 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 537037027 KDFSADRMVFMHLO-MSOLQXFVSA-N 425.541 0.327 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 538180460 MFTXVKCKAWOWGK-AEFFLSMTSA-N 449.533 0.210 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nn1CCC#N 541020626 VOZGJBYJDXBUDE-MRXNPFEDSA-N 436.538 0.897 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(N)=O)c1=O 548290069 KKGSHVXSNGDSEW-CYBMUJFWSA-N 431.901 0.466 30 20 ICED C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549301883 OVNVOQAWZPLRRT-UHFFFAOYSA-N 437.464 0.585 30 20 ICED C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 550591611 GWTDUOMWAQLSQQ-QGZVFWFLSA-N 434.500 0.986 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](c3nnc4ccccn34)C(C)C)CC2)c1C#N 552640361 XGPHMKVJISNMJW-GOSISDBHSA-N 449.519 0.805 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1 554199608 MUGIAIWTYXMPLV-QUCCMNQESA-N 442.564 0.855 30 20 ICED N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561262117 FBMBQDFRSWOPJW-NKYRPOHVSA-N 436.472 0.714 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CCO)C1 570763419 MWIBBIFXKGMJAP-NYVOZVTQSA-N 434.585 0.464 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)n(C)n1 574428667 CAVGZACQTSTWOQ-MOPGFXCFSA-N 449.515 0.187 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)C2=O)cc1 585726779 NNVQFLLVTJBLDJ-IBGZPJMESA-N 434.500 0.667 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 603911965 BSSVVWFDJAQWOW-UHFFFAOYSA-N 429.502 0.815 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603995250 UNLVZYGKWBWNHN-UHFFFAOYSA-N 427.526 0.910 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 608912421 WKQJUIUNEKDUCP-UHFFFAOYSA-N 430.578 0.259 30 20 ICED CC(=O)N1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 609213831 JJIDDOBGIROMMR-UHFFFAOYSA-N 433.534 0.833 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 728573088 KBSPFYHTJXPORT-LJQANCHMSA-N 426.517 0.488 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 728704571 ICXBUVIGDWJODB-OAQYLSRUSA-N 430.428 0.986 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 730894948 DEKPLUSRJJUFFA-UHFFFAOYSA-N 430.442 0.770 30 20 ICED CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862584 HTFMVDWOTZQLKZ-HNENSFHCSA-N 436.490 0.396 30 20 ICED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1 734842338 IZIIRXIKPIEARV-ZDUSSCGKSA-N 444.487 0.891 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)s1 745249266 MKHMEHFISUTGGS-QGZVFWFLSA-N 444.535 0.260 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(=O)N(C)C 782694596 GEADOTDQPZYMBB-UHFFFAOYSA-N 436.946 0.518 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 786491647 NXZYWCJCQOHUHV-DZGCQCFKSA-N 429.520 0.440 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 786999538 SQWSUEUFWKLBAM-LJQANCHMSA-N 428.489 0.431 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC2(CC#N)CC2)C1=O 797426585 JYVHUWHCIKJQEO-CVIUTVQRSA-N 449.558 0.964 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(F)c1 802555416 NQKWWLSCMRMEIA-ZDUSSCGKSA-N 429.445 0.489 30 20 ICED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 808034049 BZYCTJGXFRKGFL-ZBFHGGJFSA-N 445.524 0.232 30 20 ICED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCOC)c1=O 916200156 VYHWUWZMCQQBOD-UHFFFAOYSA-N 443.525 0.317 30 20 ICED CCc1ccc(C(=O)[C@@H](C#N)C(=O)NCCCOC)cc1S(=O)(=O)N1CCOCC1 916871830 YHHGRNDXFPQZBO-QGZVFWFLSA-N 437.518 0.745 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917216728 NDXCEVMQXDFILV-UHFFFAOYSA-N 429.502 0.438 30 20 ICED CCOC(=O)CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 921076093 KVAIFSPRRWJOBW-UHFFFAOYSA-N 436.534 0.603 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1120572244 QRYNUFKYSCNQCQ-HNNXBMFYSA-N 429.502 0.575 30 20 ICED C[C@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1288705349 OGIFJEFZGOYTCX-SJORKVTESA-N 440.508 0.622 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1296649518 HFWMDUBQOMPJAM-GCJKJVERSA-N 445.568 0.879 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1510065193 SXWQCEMRWBPPQU-CKEIUWERSA-N 429.522 0.003 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1516972609 KYDDERYHSQJOSV-INIZCTEOSA-N 432.506 0.440 30 20 ICED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1518974489 ZBAOQGHSJLIEOH-VKJFTORMSA-N 444.558 0.137 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCC2)C1 1555813832 TUJFCYATHCQOOL-MRXNPFEDSA-N 438.554 0.656 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN3CCCO)CC2)cc1 1641261612 JISKGJKZWNXAHV-IBGZPJMESA-N 434.562 0.922 30 20 ICED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1730475391 VVJQGGBMBRSJBC-FUHWJXTLSA-N 441.492 0.604 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1752313191 VWWHXAFLMIYIOX-QRWLVFNGSA-N 431.518 0.982 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760306894 LAQPLEYRPHCOHS-VXGBXAGGSA-N 432.344 0.756 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1761365162 ZBXGTLSMOIGXLZ-ZDUSSCGKSA-N 439.567 0.899 30 20 ICED CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766232446 SXPVKFLBTBMYQR-RDJZCZTQSA-N 449.581 0.273 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1766877800 HNKQSEIBMFYOLQ-KRWDZBQOSA-N 425.493 0.338 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)C1 1778115206 QAZKXDNLIDSVMK-HXUWFJFHSA-N 425.551 0.454 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1779020626 USJQHPTWJDSSJO-FVTMKTMDSA-N 429.521 0.711 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1779334938 AOOFUNVNENKLKU-VTJXTGGHSA-N 434.541 0.407 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1780347650 RWFGTOUULKRQAX-JBYIUTFZSA-N 427.505 0.279 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c1 1781103353 SETRGCCBNBGLEJ-XMSQKQJNSA-N 442.495 0.665 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781200216 CAXIAYWSYSOGHY-JOCHJYFZSA-N 435.521 0.771 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255124 RRSCRYKOPUJBOG-BOCKYXSRSA-N 427.501 0.854 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1781264309 TUOQFFRPXMKLEN-JOCHJYFZSA-N 441.488 0.771 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966527 JBGGVSDNLQHKSC-LEWJYISDSA-N 433.436 0.757 30 20 ICED O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782449856 UNTAAKKSZDRBNL-JNSLRZONSA-N 448.524 0.711 30 20 ICED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1783223179 ZBJUBJBQDDUOCF-OAQYLSRUSA-N 427.457 0.720 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3C)C[C@@H]21 1783533102 PWVZISJSLXNQOK-GRMGMVGISA-N 443.548 0.810 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783904810 CEKPVUKCSFPXFU-VGSWGCGISA-N 437.537 0.896 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1783990511 QDSCEWNRJYMTNV-VGWMRTNUSA-N 438.525 0.401 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012595 ZAHASSGKNXCXGP-FGZHOGPDSA-N 435.521 0.602 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784927026 ORVWYXSCRGBPBX-JOCHJYFZSA-N 427.505 0.511 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(Cl)cn3)[C@H]2C1 1787001870 ORCVMNKFHSKMOB-MLCVQOOXSA-N 435.912 0.375 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cc(O)nc(O)n1 1787440485 OTJLBDQYOUUEEU-CZTDCAEFSA-N 429.433 0.193 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1788601273 PHLOJDOUXQORLI-DTUAVKEFSA-N 429.521 0.912 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631337 KCSNUONPQZPGEV-LEAZDLGRSA-N 433.549 0.532 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)no1 1789344994 PZIAKRLLIAALIS-ZOBUZTSGSA-N 440.460 0.805 30 20 ICED COc1ccc(Cl)cc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790758333 YZQMLNCIELXKKE-OWQGQXMQSA-N 434.876 0.959 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558316 SUJVYWVIJMLKPR-XEMDLRDOSA-N 429.546 0.174 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2n(n1)CCCO2 1797437403 BOBJAUIKIIMGSH-UPHUGPLXSA-N 442.516 0.567 30 20 ICED CCNC(=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 1797699906 HREUGVDIWCEPIT-KUZCPNRJSA-N 443.504 0.478 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1797710296 ITYDUVYYWLSJFT-CYGHRXIMSA-N 431.489 0.645 30 20 ICED CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)OCC 1797818709 ZPAYWBVYOZXPON-KQKQWAPWSA-N 441.525 0.894 30 20 ICED CCOC(=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 1798496102 RUBGHITUNLQSFV-DMXIPBJVSA-N 426.470 0.218 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798518972 YOMGVERGANPOMD-AMVTXUCVSA-N 443.456 0.771 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798573757 KKZVIQJTVFUICN-CWPLJXCYSA-N 447.513 0.676 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1799799436 XXYQOGKHHDOXNW-XEMDLRDOSA-N 448.483 0.324 30 20 ICED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1800511298 NNHJAPNVPPFAFG-DRXBFXEBSA-N 439.394 0.311 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800901848 QNKJDZSUYUNOOV-YYAJDYIMSA-N 449.504 0.357 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnnn2C)C3)cc1C#N 1801847176 ATTNFVHUAHRIHY-XEMDLRDOSA-N 438.488 0.991 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819706069 JUZXPDQCTFELEC-GWCFXTLKSA-N 435.506 0.180 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824973570 VXBRFSUUEJCVSD-KRWDZBQOSA-N 448.520 0.667 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825257942 XEWVGIHENCHHRA-VIFPVBQESA-N 430.433 0.810 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)CCO2 1830429109 RFTOBWVWNCRXEH-HMFYCAOWSA-N 430.432 0.474 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1831388275 WNLRJYWUJXCTCL-HCLVMJGWSA-N 444.484 0.321 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)n2cnnn2)CC1 1832283208 CGXOOBGIUNXSGK-PPVIZMFSSA-N 429.525 0.712 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1832452764 GQPYVRSDDKFPAU-QFBILLFUSA-N 440.591 0.389 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1832453247 SAEAMNDYHZCLGI-KRWDZBQOSA-N 425.467 0.307 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c(O)n1 1833702197 MZPGLBNFTSLQCU-QHCPKHFHSA-N 443.500 0.955 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833705325 DBOMKTMGXJVRQR-YCRPNKLZSA-N 438.500 0.511 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834069924 FEYQUOFFFSTCEV-SFHVURJKSA-N 431.537 0.941 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834388610 SMDHWZBIJCTBHU-OAQYLSRUSA-N 427.436 0.664 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834621820 METVWNJZZIKCQV-FQEVSTJZSA-N 447.624 0.234 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835058979 IUDUTTNYIOSWCC-YJBOKZPZSA-N 438.573 0.806 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835115077 UHOHUWPVMAXIMF-XUJVJEKNSA-N 441.623 0.679 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835825561 OCUJBNSQOJQHBU-REWPJTCUSA-N 446.548 0.911 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)cc1 1836873199 YPONEVYPNRXBIE-HSZRJFAPSA-N 446.467 0.985 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837447557 QVMXQSGFIWJWTB-YQNSVDCASA-N 445.520 0.258 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCC1 1837496130 FHNWHVHDKOUHOG-HSZRJFAPSA-N 429.517 0.835 30 20 ICED Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524198 BPMYNICXQJVECF-KHLOOKIASA-N 446.504 0.989 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c1 1838584806 HMTLKSPGMSYZTN-IVZQSRNASA-N 444.488 0.161 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949756 RRPYPCRMKFRHIM-JOCHJYFZSA-N 428.489 0.497 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839225039 VYBALHRELWETOV-XOBRGWDASA-N 436.465 0.364 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839228718 MRURLBFKIJBBEG-HRAATJIYSA-N 441.525 0.833 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2nccn2)CCO3)cc1 1839235506 YGWVUFYIMSJNMQ-QFIPXVFZSA-N 438.488 0.239 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1839453578 RZOGFHAWLYUGOG-XMSQKQJNSA-N 426.473 0.073 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839862235 UOEBXVOHGJTMDX-ZHRRBRCNSA-N 428.489 0.520 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1840045064 PFQLAEUECPMQDX-LYSGITKLSA-N 443.412 0.152 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840161992 IPWJXLNBBWNSLM-FOIQADDNSA-N 431.518 0.656 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164749 GBQVDORGQZZDLS-HRAATJIYSA-N 435.546 0.500 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(=O)NCCC 18760771 CRNOCUNHMBYEQJ-OAQYLSRUSA-N 428.445 0.931 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 432672350 RXVJDTPVXIYNFT-OAHLLOKOSA-N 430.552 0.991 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1C#N 435485453 ADKWGLOVKQOONU-UHFFFAOYSA-N 437.456 0.815 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)C1=O 440280560 IPOWMNLWFYZLQU-YOEHRIQHSA-N 444.488 0.552 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(=O)OC)nn3)CC2)cc1 440987117 RGJUMYFYVCKMTG-UHFFFAOYSA-N 445.501 0.690 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 441014217 WAILLZHETKCLTD-MRXNPFEDSA-N 429.502 0.772 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 443303429 RVCGKIRUWMLRCW-GFCCVEGCSA-N 442.350 0.676 30 20 ICED Cc1nc(COc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)no1 446528315 FSPBDNKRFGIYLF-UHFFFAOYSA-N 442.476 0.970 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 465225136 QJLPKNTURRXBFI-SFHVURJKSA-N 448.531 0.917 30 20 ICED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467282780 DAPSQGIUUDHABO-LBPRGKRZSA-N 431.884 0.501 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(c3cncc4ncnn34)CC2)c1 476683799 GJWOKYVOIWAOKM-GOSISDBHSA-N 430.472 0.836 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)n1 479383458 MESSVFUQPDVPMZ-GDBMZVCRSA-N 441.509 0.601 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 481504838 CQLGTDHEFYXVKD-MAUKXSAKSA-N 434.518 0.465 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 497567528 JPQQEYALLUGORE-UHFFFAOYSA-N 442.545 0.877 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498973278 BTFXIMYJNHBURZ-IAGOWNOFSA-N 425.576 0.679 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508867492 QDOLYTHITBBXCK-HNNXBMFYSA-N 426.543 0.233 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 508960355 JJVZRRBUFPUCOM-MRXNPFEDSA-N 434.522 0.284 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 510677415 BTUUFABBZQFWAL-CYBMUJFWSA-N 436.519 0.766 30 20 ICED COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003980 YJNXHOUXDQZGGW-ODXCJYRJSA-N 426.454 0.970 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 515952886 DXJVEAIHTYVMPA-UHFFFAOYSA-N 425.537 0.729 30 20 ICED C[C@@]1(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 517205709 HJSHQGJBMXIJHE-FQEVSTJZSA-N 441.469 0.208 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 518399372 MVATUKVAKIUWDN-NRFANRHFSA-N 425.533 0.920 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1C 522970294 IJEVPSPECRXDQG-UHFFFAOYSA-N 430.534 0.613 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)cn1 523179012 VPYAOBHJHGLVDM-UHFFFAOYSA-N 425.470 0.070 30 20 ICED C[C@H](C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21)n1cnc(C#N)n1 538405184 ZCLSHUQGWWCCIB-CYBMUJFWSA-N 443.489 0.871 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 548290361 VRBDTEUCKKJYPK-CYBMUJFWSA-N 439.518 0.718 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)CC1 550762076 GOZBGQWHBMCCHD-UHFFFAOYSA-N 438.532 0.037 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 552556972 NDSQQHYBNBRPEI-QGZVFWFLSA-N 426.521 0.169 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)s1 552756755 ONYLQHHNXDNJHC-UHFFFAOYSA-N 438.535 0.913 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 559694543 ULXDWZJLBVOXOL-UHFFFAOYSA-N 435.488 0.150 30 20 ICED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 566000945 OARKXNPFOWBGCH-UHFFFAOYSA-N 439.476 0.735 30 20 ICED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)Cc1ccc(O)cc1 573767576 RNHWTLDLVZXPFS-HNNXBMFYSA-N 448.439 0.931 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1=O 575781586 IXFYSDKEUJJFBP-KRWDZBQOSA-N 434.518 0.088 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 603553003 VLCKDZBCLHSYAT-UHFFFAOYSA-N 431.424 0.483 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610683936 ZOVJDKHIARNPNM-HOTGVXAUSA-N 434.504 0.946 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 623209515 HCLIFSOESAUAMS-HOTGVXAUSA-N 428.489 0.889 30 20 ICED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3CC)c(=O)n2CC(N)=O)cc1 677124043 XHDLTPKGPVWGGY-UHFFFAOYSA-N 449.536 0.950 30 20 ICED COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 726889077 QCGPEFHEXSXXJF-AWEZNQCLSA-N 435.506 0.453 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCNc2ccc(C#N)cn2)c1 729223794 JMTSFHGMOXKPCT-UHFFFAOYSA-N 431.478 0.211 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(C)c2)c1=O 729671896 RCWOAOHBXDRIGM-AWEZNQCLSA-N 433.505 0.658 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 732910488 QOHWATSXFJGKJZ-CVEARBPZSA-N 425.894 0.873 30 20 ICED C#CCNC(=O)c1ccc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 732912223 MNFPXFCINDHGLZ-UHFFFAOYSA-N 428.518 0.404 30 20 ICED COCCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 735590002 NPGWXAHFXHWWBB-XLNRJJMWSA-N 439.538 0.132 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCC1=O 739115057 ACTQQXGASCGPRT-DJFNHCPNSA-N 435.506 0.175 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742520711 CLDIDLJRBVJQFV-JKSUJKDBSA-N 449.577 0.563 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)c[nH]1 753358142 KUBONQZXHXJEBE-UHFFFAOYSA-N 448.570 0.805 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756452230 MXTNTQVXSIXAJL-AWEZNQCLSA-N 449.489 0.586 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)cc2F)c1=O 758055724 RWNGIRRVFQIGNN-UHFFFAOYSA-N 431.489 0.900 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nc(N)ns3)CC2)ccc1F 758589418 RRORCFTVNASYDX-UHFFFAOYSA-N 426.499 0.686 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 759241684 XDMNWTQXPRDJKP-CABCVRRESA-N 430.461 0.827 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 765145265 OLGGGOZHXHMATJ-UHFFFAOYSA-N 426.502 0.751 30 20 ICED C#CCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 766396416 CFLJOEFIWABCOS-UHFFFAOYSA-N 438.502 0.501 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCOCC1 767398895 RMRUNTSLQMJYBC-UHFFFAOYSA-N 439.465 0.522 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CC(N)=O 767892042 RVXAVWRZGPQJQD-UHFFFAOYSA-N 443.554 0.314 30 20 ICED CC(C)n1ncc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c(Cl)nc21 771891061 RXIPHAMMCHJYMZ-UHFFFAOYSA-N 439.885 0.375 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 780054901 HKWFPBBRFOTSBZ-CYBMUJFWSA-N 426.520 0.411 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786562481 XTRRPRMNFQKVIJ-YUELXQCFSA-N 439.440 0.325 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 793012638 DYUNPCVYYRKSHW-LJQANCHMSA-N 449.467 0.654 30 20 ICED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2CCF)cc1 797815533 UINBKEHEKSGQDU-LVHCJKAXSA-N 428.511 0.772 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805374286 JRAQPFJGQBHXKB-UHFFFAOYSA-N 432.546 0.698 30 20 ICED CC1(CCNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)OCCO1 806377422 KSWHPDVQWALAOG-UHFFFAOYSA-N 429.433 0.724 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 807299475 OICDTVAEIWKSEI-AWEZNQCLSA-N 425.482 0.906 30 20 ICED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813983882 JVIONOVCWBSQGC-UHFFFAOYSA-N 437.503 0.585 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 816715381 UBXMRTFVJCSCCP-UHFFFAOYSA-N 435.549 0.034 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCN(O)C1=O 816753914 RVOAEVQVSMPFNS-PBHICJAKSA-N 441.506 0.647 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 838262182 APWNORMXYAPFNX-UHFFFAOYSA-N 437.525 0.770 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3F)c2=O)cn1 838689759 JOCTWEATYZKOCL-UHFFFAOYSA-N 427.436 0.692 30 20 ICED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)CC(=O)NC1CC1 856693145 AEGXHDAXKCYJGI-ZDUSSCGKSA-N 436.490 0.161 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1130637488 YLMXMMBURXMWMY-AWEZNQCLSA-N 439.925 0.515 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286629999 PFQPSJYOCUCAIV-OCCSQVGLSA-N 428.946 0.973 30 20 ICED CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1301212716 XGWNOIJWEMOQME-MRXNPFEDSA-N 443.485 0.551 30 20 ICED CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1313960687 LGRQRUWXYKRYRR-FQEVSTJZSA-N 441.584 0.896 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539577981 TTYUCQMTDUNVQO-UHFFFAOYSA-N 436.314 0.981 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)COC1 1541207090 APFNXZBTJRJZPH-LSDHHAIUSA-N 434.497 0.804 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1608474084 MPZFLVHVBGTONL-KXBFYZLASA-N 437.570 0.828 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1613569549 LMYUMSYCKTZSDD-GOSISDBHSA-N 425.559 0.876 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1616194261 FQTPPDYXOFNEAS-GOSISDBHSA-N 426.543 0.609 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1671372982 NQDCIJAOARCJIR-LJQANCHMSA-N 448.593 0.878 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c(C#N)cn1CC 1678537574 NSJGNOQANUUNJA-UHFFFAOYSA-N 440.526 0.949 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1746682076 BHVCKEKIEHPDTA-LJQANCHMSA-N 440.570 1.000 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1749888690 QLGFEHVFCFLOSA-IBGZPJMESA-N 441.540 0.033 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1762303471 YEAHBFFPKYHDBA-GOEBONIOSA-N 438.554 0.750 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1766264067 ZBYOPILNCALEJP-MRXNPFEDSA-N 438.492 0.469 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CC1 1770345565 JUXBNISGAGOQTA-UHFFFAOYSA-N 426.506 0.864 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778860957 ZLLSSFRBTHQJMP-AKVQWWJHSA-N 434.537 0.686 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910134 AIDBQMQQFGVRER-NFBKMPQASA-N 432.565 0.468 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779066918 JSAJEZGNOLQGEB-QHCPKHFHSA-N 431.533 0.527 30 20 ICED O=C1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CN1 1779440587 IYJGHGPTUVHSOW-XRWLCIBQSA-N 430.505 0.739 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780122353 CLSQAAHEEXDUIA-JPYJTQIMSA-N 430.501 0.930 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)cn2[nH]cnc(=O)c12 1780599850 WHWKSQVMLBDSJZ-HSZRJFAPSA-N 446.467 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1781265879 VIKOLRLALQUPKA-QFIPXVFZSA-N 444.488 0.993 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557059 AACYCDCSRRLCIJ-OPAMFIHVSA-N 449.504 0.694 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1784015740 GDLBHPQLGYGKSK-WZONZLPQSA-N 427.501 0.855 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)ccc1F 1784280454 ZHQSNSFKFMECMQ-IEZWGBDMSA-N 444.463 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(F)cc3F)[C@H]2C1 1784764926 KJAOGLHNCCOZOR-IBKBTCHNSA-N 434.443 0.812 30 20 ICED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CCC1 1786689514 JVRXGEAUSLCKEE-QGZVFWFLSA-N 447.557 0.889 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395567 QOIUQYOAJOERDY-XSLAGTTESA-N 437.537 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(F)F)n3)[C@H]2C1 1788937142 XCDGXMYLGFVQHC-MYVDIJBLSA-N 437.447 0.730 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3COC)C[C@@H]21 1789892237 JRXDCTASONKANK-XIRDDKMYSA-N 435.477 0.924 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790156643 KABLCYFDHYDTNM-YEWWUXTCSA-N 448.472 0.906 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140782 DGUMOPVKEMYXOW-XSLAGTTESA-N 435.477 0.155 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1799255541 VPGXFPOEDTYHSY-SCAQPMJSSA-N 438.525 0.667 30 20 ICED C#CCO[C@H](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 1800177850 OFGNBDXWLUQTPJ-UYTYNIKBSA-N 437.537 0.939 30 20 ICED 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]2CCO[C@@H]21 1800824974 GHDMUJJIGLXYOK-WDBHGICGSA-N 447.532 0.481 30 20 ICED C=CCC(=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 1801000107 JNJPXTSWUKYPFK-KMOPNRPKSA-N 437.537 0.770 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CC)C3)N(C(=O)OC(C)(C)C)C1 1801101941 NMHDEEGRPAUBTA-ADHGMGHFSA-N 437.537 0.913 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc1C#N 1801848873 DQFCOUXDFDJVFK-CWPLJXCYSA-N 439.472 0.425 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1802016582 OKRQCCPWZHGEHL-FEJSZKPUSA-N 437.496 0.605 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)C 1803383673 LNWIBDCQWHYPCN-FFZOFVMBSA-N 428.489 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806633322 YSZRQQALJNBXMZ-FJEXUKASSA-N 425.489 0.224 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NN2)[C@@H]1c1cccnc1 1812307647 LLVMHMIQQUJCGM-XQFWAAQXSA-N 445.479 0.942 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4nc(CO)[nH]c4c3)sc2C1 1818156002 YSIZEFLFWIKVJI-LLVKDONJSA-N 439.453 0.826 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)n[nH]1 1820758889 BIRCLQXCEHIGEY-IIAWOOMASA-N 427.461 0.891 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1820966288 GALWGSPUEGLVRD-MRVWCRGKSA-N 433.469 0.801 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2 1825661202 JRIHJFKVUXEPNM-LURJTMIESA-N 437.327 0.498 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nnc5cc(C)nn5c4C)C3)C2)C1 1829667954 DTTGQYDCOJYXQE-QFIPXVFZSA-N 440.504 0.777 30 20 ICED C[C@@H](Sc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831159337 IHMZQSIZBRECMY-IERDGZPVSA-N 432.498 0.712 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831426011 ZSCUUXVWJKSCGB-OXQOHEQNSA-N 436.534 0.616 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831488571 XOQRJWSPCNWJMJ-LPHOPBHVSA-N 425.507 0.517 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672341 PIPRUFHJQNDTPR-QFBILLFUSA-N 440.500 0.908 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1noc(C)c1C)CCO2 1831982105 OYYMHPWREOHLTA-OAQYLSRUSA-N 435.477 0.871 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1832462022 DFUYYHKZJVXKKO-FXAWDEMLSA-N 427.567 0.667 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832679817 IUTYPRQLOROSBC-JOCHJYFZSA-N 447.488 0.426 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833314349 CBVUGOQCQAQMAD-HSZRJFAPSA-N 449.467 0.436 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833464941 CDSFXMSFVTYKAA-INIZCTEOSA-N 431.537 0.205 30 20 ICED CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834870082 RJSUKVBCPKERKC-LVZGSSTFSA-N 425.482 0.341 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)c1ccccn1 1835681098 PUQSMTFAKNDILJ-WZONZLPQSA-N 443.548 0.923 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835702420 CRYRBCUPCJOYDG-REWPJTCUSA-N 435.484 0.723 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1835712791 CYWLDCFPOBCJTH-HXUWFJFHSA-N 444.576 0.993 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1835732133 DAUHXURSSJALPV-LFVJCYFKSA-N 429.569 0.926 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835760792 BTKSCUVYZVWQCR-NQIIRXRSSA-N 442.626 0.163 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1835780106 DIRZSRHPIKLEMV-HYARGMPZSA-N 427.509 0.562 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccc1C=O 1835959721 UGIDFXZKWQNENQ-AOMKIAJQSA-N 439.472 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837093818 DOWQYURBYDIWJZ-AVRDEDQJSA-N 432.521 0.472 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)NC1CC1 1837250550 WECWYSUMDYQRFP-DFWCCGOPSA-N 437.496 0.329 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837311435 FFAJXSZHYPUFKD-JTSKRJEESA-N 446.504 0.786 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1837399090 NEIKZBWCRYSYGW-PNLZDCPESA-N 439.553 0.321 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1837731756 JEUVDVVMNQKMEP-GCJKJVERSA-N 439.553 0.586 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c(-n2nccn2)c1 1838630520 ORLQHFHANJTODQ-JOCHJYFZSA-N 438.488 0.950 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)c1 1838737547 YLZVYEWWWIFNCM-OAQYLSRUSA-N 435.444 0.541 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949064 NIZNNRQODORHKV-FQEVSTJZSA-N 442.501 0.835 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1838949491 FLKIHPOHGKEBFP-GCJKJVERSA-N 426.473 0.154 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)OC)C3)C2)c(C#N)c1 1839132735 QRIUBHQIUUYPTG-AOMKIAJQSA-N 431.489 0.601 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1839173367 LOSIKSMFTWXKNU-QGZVFWFLSA-N 440.390 0.853 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223547 ZIKOZNKLKGCJLB-MGPUTAFESA-N 435.481 0.356 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361766 CNNSAYJLMGWIKD-AVRDEDQJSA-N 443.504 0.270 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839391002 URMRNGCIKSQGSD-QUYTYNJFSA-N 429.473 0.626 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839866280 RSXUHANBWPPXNL-OPAMFIHVSA-N 428.489 0.649 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1C(F)(F)F 1840042778 ODPYOCQTKYDHJP-SFHVURJKSA-N 443.378 0.202 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)CCO2 1840108795 UJLJLFCOTKMODY-VGOFRKELSA-N 435.521 0.769 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840789482 KRSUDTVRCDAOCT-VFNWGFHPSA-N 435.546 0.777 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1OC 1840814849 IWVNITWCKMSOJK-QFIPXVFZSA-N 444.488 0.863 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841031386 MJIUFVYGJJWPOQ-YCRPNKLZSA-N 449.504 0.286 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057181 CSFKBYPGINOTOX-CQSZACIVSA-N 442.520 0.478 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)=NO2)C1 1846196906 BPWXRJPSEIEJSI-UHFFFAOYSA-N 446.460 0.044 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1nc(N)n[nH]1 1847939360 CWHKPIFBLYDMLL-ILXRZTDVSA-N 447.540 0.991 30 20 ICED Cc1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 11401512 BDQSDOFQFWFGJW-UHFFFAOYSA-N 448.501 0.829 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410409519 XMEZULOLYPQVLY-NVXWUHKLSA-N 426.514 0.769 30 20 ICED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 437092892 FTGWXXNMBDSEBV-CYBMUJFWSA-N 435.893 1.371 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C#N 438242094 UOLDLQKXBJSIMM-UHFFFAOYSA-N 430.494 0.751 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1=O 440277326 OTNSQYIBCOIKDS-ZDUSSCGKSA-N 436.394 1.470 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@@H]2CCCO2)c1=O 440376232 AHTABVFTUHGKQR-CVEARBPZSA-N 443.525 0.789 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 441945561 HJOHFOLVCUUWAQ-CYBMUJFWSA-N 426.523 0.685 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 442378154 IEIJLLXMAYYWET-UHFFFAOYSA-N 443.894 0.715 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1 444511183 JOMCFCGDPNZKFV-UHFFFAOYSA-N 440.895 1.381 30 20 ICED N#Cc1ccc(OC2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C2)cc1 461741582 RUEQCKDDTROEEW-UHFFFAOYSA-N 442.497 0.946 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(-c2ncccn2)n1 472849204 DEXDGOYOBHXDAU-UHFFFAOYSA-N 434.464 0.172 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 474112785 IRCHANYVTOXISA-UHFFFAOYSA-N 441.532 0.365 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OCC)n2)c1=O 477441246 GHLVHDXPDAZHHA-UHFFFAOYSA-N 442.566 0.968 30 20 ICED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 482007230 KDOPIFLEXRSKHA-INIZCTEOSA-N 431.880 0.645 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 485743427 BIYLNYNKBMSNCK-ZWKOTPCHSA-N 434.518 0.563 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 505165411 KVLHUJVDNNGIAQ-HNNXBMFYSA-N 437.460 0.673 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)CC2)C[C@@H](C)O1 507880305 NPWMDONARPSHKM-IYBDPMFKSA-N 445.549 0.830 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 526037968 JFQPJVSPOBWIJW-CYBMUJFWSA-N 431.901 0.547 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1C 556317436 ZJXNMCGKLPQMIV-KRWDZBQOSA-N 444.517 0.792 30 20 ICED COCCO[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568688175 NIFIYKBKPVEOPV-MOPGFXCFSA-N 428.489 0.824 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3C)CC2)c1C#N 569632064 PBZFOWPPQZUSGO-UHFFFAOYSA-N 437.489 0.895 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 573022766 VVUOWPJMBPUQDI-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 581965716 UNJJQMRABZQFMM-PMACEKPBSA-N 441.532 0.739 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O 589160134 CGEXCHFGPXFHCE-HNNXBMFYSA-N 447.582 0.886 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cnc2n(C)c1=O 600487541 GJIPQRSXHMSLRI-SFHVURJKSA-N 436.447 0.794 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 608828724 KADJDKWTTTUACV-UHFFFAOYSA-N 434.477 0.256 30 20 ICED CC#CCN(C)C(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 647542132 LWBOHUQNONMZSY-IBGZPJMESA-N 435.546 0.944 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 672355630 GIKMZFSMACLVNV-SFHVURJKSA-N 426.583 0.606 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 726043764 RJXDMHMWAGPOGZ-ZDUSSCGKSA-N 426.429 0.735 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)ccc2c1=O 730783144 HCDPXHDRVQLOSB-UHFFFAOYSA-N 443.529 0.682 30 20 ICED CCCc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909984 IMPQOYDCJYWSAW-AEFFLSMTSA-N 431.514 0.958 30 20 ICED CN(CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)C1CC1 733513801 KEADLUSJURPZQF-UHFFFAOYSA-N 441.444 0.866 30 20 ICED C[C@@H](CC(=O)OCCN1C(=O)c2ccncc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 744219709 JTKRIXZKXBYFIU-LBPRGKRZSA-N 442.453 0.738 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755544859 GLSJDFJPSWGUKT-NEPJUHHUSA-N 433.469 0.365 30 20 ICED CN1CCN(CC2(C)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 756376182 DROUTNFFSVWQBO-UHFFFAOYSA-N 433.578 0.601 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756920464 OKLOKOJYEMXCBR-OLZOCXBDSA-N 425.486 0.503 30 20 ICED C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 757607446 XLELNJDQRNOOFG-ZAJFYCSQSA-N 432.477 0.413 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(C(N)=O)cc1 767884425 RQYJLYTUPKUICW-UHFFFAOYSA-N 437.506 0.236 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccon3)c2=O)cn1 772312709 UYWBLNVKFDFBGM-UHFFFAOYSA-N 436.497 0.805 30 20 ICED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 786549727 SEHFXHMIBWOOTG-HOTGVXAUSA-N 430.486 0.486 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc3c(c2)CCN3Cc2ccccc2)c(=O)n1CC(N)=O 795194407 JJAUCBGBRGMZQP-UHFFFAOYSA-N 441.516 0.984 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 802723739 OVARUOJROXBVBL-UHFFFAOYSA-N 439.541 0.338 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c1 810481007 LSYSVPFYPATCBJ-WAXGRNCXSA-N 434.518 0.810 30 20 ICED COc1ccccc1N=C1SCCN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 873718231 UMTAXGXKGLOSBH-UHFFFAOYSA-N 428.474 0.705 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 914668949 ZPHFEDGXWKBZIX-UHFFFAOYSA-N 442.453 0.474 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 917018482 OGWSDJLRCXIWNC-HNNXBMFYSA-N 425.445 0.900 30 20 ICED COc1ccc(-c2nnc(S)n2N=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1OC 920365999 ZCXODMGQSGOQJL-UHFFFAOYSA-N 442.461 0.819 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 920397083 VTNGUUSVSDBWBB-UHFFFAOYSA-N 449.536 0.387 30 20 ICED CSC[C@@H](C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122506320 KBYSOIOQJMXBPN-HIFRSBDPSA-N 429.564 0.190 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1297696909 RUTKLKHXMIGDNV-GOSISDBHSA-N 446.533 0.593 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)c1 1519512666 SRBAESXLRYSYBN-CVEARBPZSA-N 433.490 0.493 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1706622666 VAHREIKPFYGPKU-SFHVURJKSA-N 444.584 0.704 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1722486347 YAJWBMKSXYEFKY-UONOGXRCSA-N 446.371 0.610 30 20 ICED COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1730726468 NYIDNDAHZAMNPY-IBGZPJMESA-N 438.536 0.999 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)C 1747443184 WREHKRJMFBIIKN-UHFFFAOYSA-N 433.538 0.717 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1778977863 ANZWWHNOBHXZTI-AVRDEDQJSA-N 434.581 0.169 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100828 ZFLGYRBCRNZFCL-XRLOXATOSA-N 443.522 0.252 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)NC1CC1 1779103181 OBGBMYYHIRYPIC-BVIYJERESA-N 434.493 0.180 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779442456 MGTSZLWYPPLEDV-RWTMDTCBSA-N 432.521 0.545 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962261 UKDZKWBZJBLSIU-KURUZVKSSA-N 425.493 0.645 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1780176309 RRUZWQLUWXJKNG-VBKZILBWSA-N 425.449 0.258 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781839035 MGYKQVPNPFKGKI-MIZPHKNDSA-N 437.581 0.555 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130721 BUDJZOZZBIXUSO-XMSQKQJNSA-N 428.489 0.587 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783136887 MOTITJGHKFHDDO-KKSFZXQISA-N 438.525 0.422 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)O[C@H]2C1 1783494203 FYBLXPZBNPTRMT-DBHNTLKXSA-N 448.520 0.754 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1784002802 DJWOLOZWZSUWPZ-VYNPMUNFSA-N 449.548 0.654 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559243 PKNHZVQQXRVKFH-FHWLQOOXSA-N 430.526 0.924 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786726871 FLWKFINGUVHWIJ-MUGJNUQGSA-N 436.597 0.177 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787412387 YQJPXGDTJMUNEF-XSXWSVAESA-N 425.529 0.719 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788743117 FWRPOOYTAHGVJM-MUGJNUQGSA-N 447.576 0.970 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5[C@H]6COC[C@H]65)C[C@@H]43)c2c1 1790330682 NRNQEDZJXIMSAX-AHVXBYHZSA-N 435.484 0.920 30 20 ICED C=CCC(=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 1792451163 FZFSZLFUJVSFOG-OREBXVKISA-N 437.537 0.770 30 20 ICED 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 1793087409 CWNDODOAYFPASC-NIFZNCRKSA-N 431.555 0.170 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(N(C)C)c1)C2 1793340811 OOLMNWUIKBSYJE-QSNWEANLSA-N 429.517 0.759 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(OC)nc1 1793891074 CSQCRJRFQQBXMR-VCXAPBTPSA-N 442.516 0.471 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)OC)C3)c(O)n1 1794490339 DOQZFTZGGGXNMH-ZSBFGKGUSA-N 432.477 0.465 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408053 LLJZTCJEPWUZNQ-YYIAUSFCSA-N 448.520 0.516 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2 1795598024 VLNQOVGVTYMSHV-MIFYACCESA-N 432.500 0.911 30 20 ICED 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 1795727924 UHOWYBAYJYHUSC-CWQOZTLDSA-N 436.553 0.491 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1797808813 RNJCDWBFHFCMRV-DGBKYHIMSA-N 437.537 0.904 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4c(c2)NC(=O)CO4)C3)c1 1798692316 GEMGSZDXCVNQKG-YVWYUNDQSA-N 435.440 0.734 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O)c1ccc(O)cc1 1799296161 YQHUNIOZWXEDEH-FNHONLOCSA-N 427.501 0.613 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2 1800776047 QAHZKRXLPJWHMY-OPMZPASUSA-N 440.500 0.011 30 20 ICED 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#CC1CC1)C2 1800806559 HEQBDTTZGFBTHL-IHEQNBGGSA-N 447.532 0.360 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1800990443 PDYYBRORNGNOID-VFFTVRQLSA-N 430.523 0.751 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1800990596 WGONTTWOAZPOOJ-FIIQBIKZSA-N 429.498 0.638 30 20 ICED 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]1C=CCN1)C2 1802139599 HTTLRGSODXWZOB-XHVNAKISSA-N 446.548 0.573 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812393198 CLBAONCYLACPOZ-FXAWDEMLSA-N 428.489 0.824 30 20 ICED COCCn1nccc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877755 QNKUPELWCVRCBI-OXJNMPFZSA-N 425.445 0.332 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690670 ICASPIBBYRUSKH-CYBMUJFWSA-N 438.473 0.692 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819448460 RTHZSRSZNKYWEO-KKVAFCGZSA-N 436.513 0.853 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1819898122 HHOKMKUDPURJNO-PNMHFREASA-N 433.494 0.876 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822196450 FAOZPRIEZFITGK-ZIAGYGMSSA-N 449.464 0.375 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1829266402 UHJLMIBKJUHMJE-JOCHJYFZSA-N 436.472 0.363 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831082563 HLZHCHBJYWJHSB-WIYYLYMNSA-N 441.594 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1831397753 XAGVLPMZDYDPCD-ZHRRBRCNSA-N 432.473 0.509 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)c1 1831665992 AKBSNTRBQOZJLY-SFHVURJKSA-N 447.513 0.806 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832684339 REKHHLIUAYRSDJ-BTYIYWSLSA-N 436.509 0.033 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143254 CUYJOPQDAGJSOK-GOSISDBHSA-N 427.615 0.784 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833200923 FYAPZTWQKIXDBK-WAOWUJCRSA-N 435.525 0.777 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833468831 YGACODDXOMIGFC-CQSZACIVSA-N 432.481 0.541 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnc5nc4O)C3)C2)CC1 1835346626 LGULNALEEONFFI-QFIPXVFZSA-N 437.456 0.709 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835910529 VIUCXNAYLWTVBW-NIZDUYGQSA-N 435.546 0.941 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c(C#N)c1 1836479331 HHLMACYZJSAHAG-NZQKXSOJSA-N 440.500 0.094 30 20 ICED Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1837381598 AFCZUVBCHCLQSP-HZHRSRAPSA-N 431.541 0.899 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837486419 OBMNIUKWMUJRNZ-LZJOCLMNSA-N 448.524 0.534 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837488402 DDVIWIAXKLTMMC-QFIPXVFZSA-N 428.489 0.245 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cccn1 1837493538 JJXHGWCYUDEFOK-XXBNENTESA-N 444.532 0.599 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564185 BOWDMMKOVZWCEI-IQTGRTGDSA-N 427.461 0.567 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1838650566 BZDGHZFFZUFTEA-MRXNPFEDSA-N 437.537 0.894 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733308 YIMLMXQAVXUFIJ-NRFANRHFSA-N 431.493 0.119 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906753 CXJIGWVOIHZYJX-JOCHJYFZSA-N 428.489 0.400 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908722 OUYMHWFMWISTKX-FQEVSTJZSA-N 435.502 0.063 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1838950815 GNZPSELLMOBZDD-QFIPXVFZSA-N 447.455 0.380 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222585 SHCMTJGUMSBDLC-UGSOOPFHSA-N 440.526 0.451 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839227724 XFNQFVSBUKIXCU-KUHUBIRLSA-N 441.916 0.944 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839228647 KVYSYFMLEDHHSK-GCJKJVERSA-N 449.552 0.837 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623381 WCMBSRLGPPFORT-HXUWFJFHSA-N 430.440 0.488 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840007641 KYZUDLFSILMBPZ-KSFYIVLOSA-N 433.505 0.333 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)CC1 1840818298 VIKGDIGJCJBHLK-MGPUTAFESA-N 443.566 0.630 30 20 ICED CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)C(=O)O 1842950623 PFBZVBXSESLYPB-CYBMUJFWSA-N 439.394 0.852 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1843406701 MXKJPDMISYOYKX-JZSXKQHWSA-N 437.522 0.521 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1=O 10850864 JUCCUKACAGMZNN-UHFFFAOYSA-N 439.881 0.444 30 20 ICED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCCCC1 16162338 ZHMLOYWJWGKHKK-CYBMUJFWSA-N 430.465 0.098 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 24744609 HNPXATQEVMNOIR-CYBMUJFWSA-N 437.522 0.385 30 20 ICED C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25172205 RZWGEHOWPHOHAZ-OAHLLOKOSA-N 441.513 0.991 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)n2)c(Cl)c1 440376267 PGRAUMRWZKWYPA-GFCCVEGCSA-N 436.881 0.615 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 440606238 TYAIHERGVGPXCR-UHFFFAOYSA-N 436.534 0.632 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)n1 441574814 LLCMUFRUSQNKOB-SFHVURJKSA-N 439.520 0.679 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)nn1CCC#N 441639954 SYBRDIFXXNNACV-MRXNPFEDSA-N 432.843 1.536 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 446528203 FDGHAWGNXRCXPQ-UHFFFAOYSA-N 448.911 0.883 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 460552419 GGBFFRYNLNXZSN-UHFFFAOYSA-N 443.537 0.969 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)C(C)C)c(=O)n2Cc1ccccc1 464297361 SMCKGNHIUGQJII-KRWDZBQOSA-N 438.488 0.719 30 20 ICED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2NC1=O 465402992 JJKNGMURLWKKGO-OLZOCXBDSA-N 435.444 0.743 30 20 ICED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCN(CC#N)CC1 467787593 KRNWDBTVDCAXIT-UHFFFAOYSA-N 430.534 0.737 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487110197 IEMZYHUUOCQHCC-FQEVSTJZSA-N 440.548 0.949 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 487165571 VVMWWMCEALOBKP-FQEVSTJZSA-N 439.516 0.940 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCCNS(=O)(=O)c1ccccc1Cl 499730614 CJPGXYHLPCWVSU-UHFFFAOYSA-N 438.959 0.705 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 503315966 MDZMRHFMMQJNTA-INIZCTEOSA-N 429.521 0.600 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507086493 IHYLODROJUFVCO-UHFFFAOYSA-N 444.532 0.329 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H](C)S1(=O)=O 509761267 URGNUTDHKZYMMW-UKRRQHHQSA-N 430.490 0.810 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(C)(C)CN(C)C 512766912 MSSOEAOMOYCOOB-UHFFFAOYSA-N 442.589 0.519 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513582208 JRCXSEMHNWGIKF-SPLOXXLWSA-N 439.497 0.926 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O 527279941 HESZKTUZNBTNOY-UHFFFAOYSA-N 441.509 0.690 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 530317712 GMSLUGDNJPZDOR-ZDUSSCGKSA-N 433.436 0.441 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 542066218 XVZMVHASITZZEF-UHFFFAOYSA-N 431.541 0.776 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)C2)nc1 553240870 DLTMALBYQJYTET-ZDUSSCGKSA-N 443.441 0.188 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cnccc2C#N)CC1 553697463 WFZBSBHXWHHESN-AWEZNQCLSA-N 431.522 0.319 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 556205635 GIPSUFLGBZUFNZ-UXHICEINSA-N 433.597 0.566 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)cn1C 558523999 FYEFDVDPGWOTJW-UHFFFAOYSA-N 434.453 0.211 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1C(F)(F)F 562233142 LOTQGUUVUQXOLT-UHFFFAOYSA-N 449.436 0.995 30 20 ICED C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569045624 OSXTURJPOGQXKZ-JXFKEZNVSA-N 425.533 0.964 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccn(CCC#N)n3)c2)CC1 609788263 VBPSZZDSNHZPJB-UHFFFAOYSA-N 430.490 0.902 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 674431358 UIEBHLDJTWETEW-UHFFFAOYSA-N 432.468 0.933 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(F)cc2)c1=O 684535237 MBHJYWQQKYJMJB-HNNXBMFYSA-N 443.500 0.636 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 726857621 PPJHCTNYKGPUAE-HAVVHWLPSA-N 449.533 0.567 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1cnn(CC)c1 743726962 ZNAOGNBWEDGHJG-UHFFFAOYSA-N 426.527 0.686 30 20 ICED C#CCOc1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 745213266 OMKHSYFOYRCYIE-UHFFFAOYSA-N 434.456 0.881 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746364490 RERZZEGYXZLAET-AWEZNQCLSA-N 427.440 0.656 30 20 ICED C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749670086 LENMFMMFHPLICB-LPCAMTDXSA-N 433.494 0.234 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544867 GLSJDFJPSWGUKT-NWDGAFQWSA-N 433.469 0.365 30 20 ICED C#CCN1CCC[C@H]1COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 756545826 VPYLDYBJSWPVJO-FUHWJXTLSA-N 442.559 0.409 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1N1CCOC1=O 757293494 OUSDYMQYEGHJMY-AWEZNQCLSA-N 435.444 0.981 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc2n(C)c1=O 757587473 JXFZHDFCRAQWQM-JSGCOSHPSA-N 428.449 0.121 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c3cccnc23)c1=O 758077038 MJRFIEOCXYPDRF-UHFFFAOYSA-N 448.479 0.592 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCC(F)(F)F)c(F)c2)c(=O)n(C)c1=O 758129876 RTYPOIYUTYMKFC-UHFFFAOYSA-N 438.359 0.477 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4cc(N(C)C)ccc43)nc2)CC1 761765079 CSPSLGYSDXOFAL-UHFFFAOYSA-N 443.533 0.852 30 20 ICED CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)n2ncnc2N1C 764128925 LSTLHDVIGOOYAV-HNNXBMFYSA-N 441.517 0.968 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 766257339 XFVUEWBJZABIPM-UHFFFAOYSA-N 434.396 0.936 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768487016 TXMXKLLJVMBWRN-XAIYEJPOSA-N 431.478 0.865 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1O 771897795 RPUYPSPFOXVMJY-UHFFFAOYSA-N 431.268 0.255 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 774995753 KAIBASDASSRRDV-GOSISDBHSA-N 441.488 0.907 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1 779315051 OUHOHYDKNAGFRC-UHFFFAOYSA-N 441.531 0.692 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 780065197 DHXXLHQTBYLXAW-CHWSQXEVSA-N 437.499 0.928 30 20 ICED C#CCN(C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 783478514 DEOFYUNAXLVRDI-GOSISDBHSA-N 439.497 0.948 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060414 MKKJREFOBBURAN-XABWRGDLSA-N 440.412 0.472 30 20 ICED COC(=O)[C@H](CSCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)NC(C)=O 790012450 UMQAIIWDDRXYSE-ZWKOTPCHSA-N 436.509 0.945 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 799284550 IULKLWJERQHIEO-MSOLQXFVSA-N 429.473 0.683 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCCF 800642964 OYDZAIULTYWEJS-XQAVQBLBSA-N 441.485 0.028 30 20 ICED C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 802555895 DOPQZGWHHDBALX-OAHLLOKOSA-N 426.477 0.685 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)Cc3ccccc3)CC2)nc1 803139688 IWAUPDBPGWMYOM-UHFFFAOYSA-N 441.513 0.333 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)NC(=O)NCC 804944471 QVUOTXGSOZIKLT-YEJXKQKISA-N 428.445 0.929 30 20 ICED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809502280 GVQZSRIZHZSWSA-MUIFIZLQSA-N 429.429 0.135 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCOC 916198101 CLYZDIICOADJMZ-UHFFFAOYSA-N 438.509 0.370 30 20 ICED CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288235501 QFELALOMACSAMX-UHFFFAOYSA-N 434.508 0.796 30 20 ICED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1291310173 VNBWPQFDZAIPQK-KRWDZBQOSA-N 439.520 0.776 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1299315113 QBFQJCMXUQECEP-CRAIPNDOSA-N 436.469 0.782 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1299315114 QBFQJCMXUQECEP-MAUKXSAKSA-N 436.469 0.782 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1314992630 MKFGJUJYCKNJPW-GOSISDBHSA-N 449.519 0.953 30 20 ICED O=C(N=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)o1 1317913341 KNIYVHCAXNXPAC-UHFFFAOYSA-N 425.444 0.179 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1321163278 PMUHXGRJYIBJIK-UHFFFAOYSA-N 430.486 0.821 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cn1 1321907237 CPLIIUKBGHDYMZ-QGZVFWFLSA-N 443.533 0.587 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1496290068 ZBJVVZMMFZRGPN-SJLPKXTDSA-N 442.568 0.882 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507784676 JULQTNMRDKLJRT-GFCCVEGCSA-N 448.343 0.977 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541607263 KOKLPQJSMJMCPY-AEFFLSMTSA-N 435.598 0.697 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547730533 NGHHLEFMTDVSEY-FIKGOQFSSA-N 432.548 0.945 30 20 ICED COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555235979 XASAFNIWHZFRAU-BZUAXINKSA-N 439.524 0.888 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1636427362 WINWXZNNMLIVKU-CQSZACIVSA-N 428.511 0.793 30 20 ICED C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1684579852 POPPSYKWUYVNTM-CZUORRHYSA-N 426.520 0.150 30 20 ICED C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722549614 UKTJWNLADYMMJF-UHFFFAOYSA-N 443.899 0.559 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C)C(C)(C)C1 1722865292 ZHTAPEQAWFEZKN-HOTGVXAUSA-N 440.618 0.510 30 20 ICED Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c(=O)n1C 1761779158 SYGRIUOBHNOPMU-GOSISDBHSA-N 438.536 0.648 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768428346 ODFKGFDYAUTTAO-KURKYZTESA-N 431.541 0.453 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779100530 BFMQFXYGUJPBFV-GKSBZVEZSA-N 442.476 0.702 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnncc3C(=O)O)C2)CCC1 1779699669 RMLBPVZGVIFDRM-IIBYNOLFSA-N 427.461 0.996 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1780176303 ZTNUVAWDWGPCDE-VMXOYPLMSA-N 438.484 0.845 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1781791873 MCALAOYIVZPEBE-JOCHJYFZSA-N 437.456 0.771 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1783666478 LASUAWHKCAFEOG-WIYYLYMNSA-N 443.541 0.687 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784535440 VPCBMKQSCGUKHO-YXMSTPNBSA-N 435.612 0.248 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)C(=O)O 1786894260 QIVYVBBYOJGFEL-KANFNMMFSA-N 447.919 0.734 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032505 YIABCVKBPFDTBP-CBVHJVASSA-N 427.505 0.896 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788304032 LAAZFGDZKQVCLI-UOVPBQLFSA-N 427.505 0.896 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793154486 MWBMZMOIOWTLFZ-WPECMILSSA-N 449.504 0.357 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN(C)C(C)=O)C3)c(O)n1 1794488486 FDIBUMXYZGUIIB-UPHUGPLXSA-N 444.532 0.977 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2nncn2c1 1797463196 ORHZOFJPDWGOMA-RMFSNUHRSA-N 437.500 0.631 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1)C(F)(F)F 1797872919 ILRJSWFMVMVZQY-XPCVCDNBSA-N 441.410 0.303 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1798472944 RWSYCSQEYUXVKZ-XMTFNYHQSA-N 436.509 0.401 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)c1 1798576827 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O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@@H]1c1cccnc1 1812877930 CDEXLDJUTWYLPR-KBXCAEBGSA-N 434.412 0.238 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814713895 TZPMBGIEARDTOF-GXTWGEPZSA-N 435.481 0.629 30 20 ICED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)CCC1 1817816963 PJTNDTSDVZUELY-CYBMUJFWSA-N 436.436 0.535 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOC1=O)CC2 1819769751 DBYHKIDCTJGZTA-AYPRBGQRSA-N 434.522 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1823743905 JGFYBLYXEUAMPQ-VTFYZGIISA-N 433.553 0.057 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CC2 1825669543 NDEXQNWIICQGOW-XQQFMLRXSA-N 430.486 0.544 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1829630824 CEMDUNHMIIPTTG-JOCHJYFZSA-N 440.456 0.955 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830053019 DSRGJPANQHHGKR-NRFANRHFSA-N 429.477 0.660 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1830063493 QWXVXHFMJRYAME-QHCPKHFHSA-N 442.516 0.813 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(C#N)c1 1830585915 KUQXPINDFFVQKL-MCSCQSGASA-N 443.500 0.337 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c1 1830869456 ASFOBSPHQFKHCZ-SIKLNZKXSA-N 431.489 0.654 30 20 ICED COc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831210047 XAMHBCDDYZIOBI-HSZRJFAPSA-N 427.501 0.893 30 20 ICED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1831380711 KJPSUIHFRNVWSG-QHCPKHFHSA-N 434.533 0.568 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1831401737 DOWYNAYSWQXOBE-SBUREZEXSA-N 448.491 0.872 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833211761 FRARXPLYQNTKJF-PRPIBZDOSA-N 437.493 0.816 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400239 NRPCUUSIIWEFLY-HNNXBMFYSA-N 427.509 0.080 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1F 1835096576 DANCDRAUXLNQNS-HSZRJFAPSA-N 440.475 0.989 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1835681382 UUYFDUBBDLEEAC-JOCHJYFZSA-N 435.569 0.211 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767151 DTLXUGVMRJZUTJ-KMUCBOENSA-N 447.540 0.529 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837286069 BLPZWDLEWBXDAD-YZEXCMKDSA-N 447.580 0.255 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)O1 1837529259 QJUZYAOJFFUUJX-YUKHSWDUSA-N 439.509 0.539 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837646437 YKFIHKNUFGHNHP-JTSKRJEESA-N 438.488 0.556 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658920 FLQNFXHPHFNQMI-HXOBKFHXSA-N 446.548 0.955 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1cccc1C=O 1837926232 KLEFKLGQAVUKPI-INIZCTEOSA-N 429.473 0.948 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838423334 NZVHHGRMIMGFJY-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838506627 FZVQQDUNWFTLJU-XOBRGWDASA-N 447.517 0.747 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188258 ULLKOGWKUQXYEG-QRQCRPRQSA-N 446.479 0.221 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273561 IZQLBQIXZLTWJJ-OAQYLSRUSA-N 429.429 0.784 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1839810507 AFOTVWQGYOXCOF-WQTXXOFMSA-N 433.505 0.476 30 20 ICED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839831772 OGFVSBNJCCIJRV-NRFANRHFSA-N 425.445 0.484 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1840042782 OGSIGJDOTVZHHD-HXUWFJFHSA-N 446.847 0.146 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840158863 RQLXGQJGILBFNA-ZANVPECISA-N 432.392 0.116 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840164859 QUYKUYZIRASLBS-HNAYVOBHSA-N 428.551 0.694 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840431497 ISCIUMOONRKNFV-DXLWNWQMSA-N 446.552 0.447 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)C1 1840568351 PUOSHLKXICFJPD-QHCPKHFHSA-N 426.517 0.509 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840905844 RJZPVQKTNKUVHO-HRAATJIYSA-N 435.546 0.500 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315251 ATTRKIDWEGISKX-UFFVCSGVSA-N 427.417 0.672 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 29709792 UNPQWQLNSBDBIE-INIZCTEOSA-N 449.577 0.933 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 409866401 XLMDFJUXILDSFJ-UHFFFAOYSA-N 432.487 0.923 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432721716 ZNLOXEZHSXCFMW-UHFFFAOYSA-N 446.891 0.956 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCCOC)c(=O)n1CC=C 435198454 YXUNHSBUHMODOS-UHFFFAOYSA-N 425.510 0.926 30 20 ICED C=CCn1c(Cc2noc(CCn3c(C)cc(O)cc3=O)n2)nnc1N1CCOCC1 438246761 MNVDKVKVKACUSZ-UHFFFAOYSA-N 427.465 0.693 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 439976793 LJZWAYZQCKPWIB-SFHVURJKSA-N 445.483 1.202 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 440281106 JHHCGCIFVUGOOQ-UHFFFAOYSA-N 443.939 1.432 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 440390066 YKZMYEDCHCNIID-OAHLLOKOSA-N 427.526 0.896 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 440759097 BNJIMWSHOHDURW-PSBWJHGTSA-N 447.513 0.984 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCSC)c2=O)c1 443554825 WFUMKNCIHXIURV-UHFFFAOYSA-N 447.582 0.937 30 20 ICED Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 446671009 OFDMNZZVOHPYIG-KRWDZBQOSA-N 447.561 0.566 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467290074 HADPTXVJZYJNCT-MRXNPFEDSA-N 425.493 0.284 30 20 ICED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1C#N 472148823 BDOYXOWOMCZILC-QGZVFWFLSA-N 439.520 0.688 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 480663508 NVIYEUHLRMIRRY-DNVCBOLYSA-N 438.575 0.549 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)cc1 482053655 KAAJJNBPPLPOSL-MRXNPFEDSA-N 428.449 0.359 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 484911450 PVTOGQJAGAYSBH-ZDUSSCGKSA-N 439.490 0.954 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 487687293 VORPDZRCXRFHKX-GOSISDBHSA-N 445.483 0.613 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 490514499 VLDWPSQXUXYIAQ-SFHVURJKSA-N 425.493 0.610 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 499014470 KVTIRMAFJICPBV-UHFFFAOYSA-N 446.483 0.130 30 20 ICED CC(C)C(=O)NCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502548405 KNKOTCAMYZHVNN-UHFFFAOYSA-N 435.550 0.095 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 520722606 RABJFGGMSPCRET-UHFFFAOYSA-N 434.430 0.949 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N(C)C)n2)cc1 538385222 JABCIHYDZODOPO-UHFFFAOYSA-N 432.506 0.604 30 20 ICED C=CCNC(=O)CNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 538617040 GAJXSBSUAILQGP-UHFFFAOYSA-N 437.504 0.792 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1OC 555063686 YIBDVISLAAQREI-NRFANRHFSA-N 429.477 1.171 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 557591667 FQQLYZDNDWJGRU-HZPDHXFCSA-N 442.563 0.635 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 569274197 DUCYBUWTPNRTMS-FRQCXROJSA-N 427.505 0.001 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2=O)cc1 569762850 MJKZTPBTLIYREH-SFHVURJKSA-N 442.541 0.900 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)CC2)cn1C 571329450 ZYCHKKQHWUUFTB-UHFFFAOYSA-N 426.506 0.907 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 585701362 AVXADRYYGFFKMU-IBGZPJMESA-N 428.537 0.511 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604211531 DLCZQFGVUYECMC-UHFFFAOYSA-N 436.472 0.964 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1C 608783290 DJGGEYHJAIBYOT-QGZVFWFLSA-N 434.497 0.555 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 609112576 LILZOQSWJZCGON-HXUWFJFHSA-N 446.577 0.163 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1 725904548 VRJWPVBLZGXXTP-UHFFFAOYSA-N 427.482 0.902 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 729031261 YWJWRUHFHDQGQO-UHFFFAOYSA-N 431.445 0.892 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCOC)c2=O)s1 731203769 VUPLWWRMIAPDEN-CYBMUJFWSA-N 435.571 0.834 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731889892 QWLSGPRKEBRHNN-NRYCMEERSA-N 426.882 0.649 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 733364573 LZMXJWVZXBKSJY-UHFFFAOYSA-N 428.577 0.993 30 20 ICED CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 735887344 RZVFQBIGYODQHX-CVIUTVQRSA-N 435.550 0.896 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cn1 746362919 CATIAENLRQIITD-UHFFFAOYSA-N 438.416 0.156 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)CC1 746501831 MKTXYDNZYOVDKB-FQEVSTJZSA-N 432.590 0.763 30 20 ICED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCC#N)CCN3CCOCC3)C2=O)cc1 749378665 FQSUTAXVSIFRIE-QFIPXVFZSA-N 427.505 0.837 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 757156593 SANFNWLMLPYPMV-ACJLOTCBSA-N 436.451 0.645 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758039294 BSSFQSQNIYKSJP-UHFFFAOYSA-N 429.505 0.593 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCCOC)c1=O 758059817 UPLMEBVWLZZIRH-UHFFFAOYSA-N 425.510 0.596 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(COC)c2)c1=O 758067046 FWPRMHJURWLNAF-UHFFFAOYSA-N 439.537 0.735 30 20 ICED COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C(N)=O)cc1OC 765328494 FXVYLFAVAYBWER-NSHDSACASA-N 432.458 0.980 30 20 ICED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)C2(C#N)CCOCC2)C1=O 767402842 XXXOXPPJYRDQDC-FQEVSTJZSA-N 428.445 0.824 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 767683008 YQSAQIURLXUORL-LBPRGKRZSA-N 448.482 0.790 30 20 ICED CN1CC=C(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 776070326 VNWPXTPLIVAVQY-PTGBLXJZSA-N 433.534 0.816 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 779623598 DWBKXPQOLVFMDD-FQEVSTJZSA-N 430.574 0.621 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 782116493 IBIKKUACHBWZDX-UHFFFAOYSA-N 436.534 0.006 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Br)nn2C)c1=O 782639230 BCCAYHCAQOEDKL-UHFFFAOYSA-N 436.335 0.551 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C1CC1 784921294 YWCPECZYRAZWLG-UHFFFAOYSA-N 435.502 0.669 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCC[C@@H](S(C)(=O)=O)C3)nc2)CC1 788419974 PJBFSZMWLCMYNO-OAHLLOKOSA-N 429.568 0.773 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCC[C@H](S(C)(=O)=O)C2)CC1 788428924 VXRCQRRNYZAXHY-HNNXBMFYSA-N 429.568 0.773 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cn1 797387682 IXZYYXMSHMBHDS-CQSZACIVSA-N 431.250 0.807 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797511672 GFBQKTYJZDFUPG-VLIAUNLRSA-N 437.518 0.993 30 20 ICED C[C@H](C(=O)OCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)n1cnc(C#N)n1 798741901 FKIGIGLICPWSNN-XCLFUZPHSA-N 439.432 0.228 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1ccncc1 805807029 YQHBNYBZIDNGFN-KRWDZBQOSA-N 426.477 0.894 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1=O 808240811 XMVOEUGBSGCDCI-HZPDHXFCSA-N 444.492 0.963 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 856708295 IJUOVBTVCWUBCY-JLTOFOAXSA-N 447.517 0.767 30 20 ICED NS(=O)(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc1 873829949 ZDFHWQZUUMDRJO-UHFFFAOYSA-N 428.474 0.625 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(CS(C)(=O)=O)c3)CC2)o1 915381185 MRPCSGKPKUMMMS-UHFFFAOYSA-N 446.485 0.905 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCCOCC(F)(F)F)CC1 920249265 QFTGOQROXXDWKA-UHFFFAOYSA-N 448.467 0.838 30 20 ICED COc1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc(C(=O)O)c1OC 1337871160 HZSGRKGZTJAPHH-UHFFFAOYSA-N 427.479 0.639 30 20 ICED C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 1359139317 QXYZWDBFLSJSCH-KRWDZBQOSA-N 446.533 0.261 30 20 ICED N#Cc1cn(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(=O)nc1O 1442159712 ZVCUSZARTZHFEP-UHFFFAOYSA-N 426.429 0.804 30 20 ICED N#Cc1cn(CC(=O)N2CCC(O)(c3scnc3Br)CC2)c(=O)nc1O 1467546927 LMBVWKZISUBMKT-UHFFFAOYSA-N 440.279 0.550 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1556365517 JQLYGSUOQXJHOT-MAUKXSAKSA-N 432.452 0.430 30 20 ICED CCOc1ccc(C(=O)N2CCC(NC(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1626119069 RWWOKQHGUGCQRY-UHFFFAOYSA-N 425.445 0.640 30 20 ICED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1664373721 ZOXMFYHZUWVCOR-QWRGUYRKSA-N 427.273 0.550 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1697016499 KWJULIUSRUGFGN-UHFFFAOYSA-N 436.480 0.482 30 20 ICED CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1723119718 YVNNHVNCOSOURL-HZPDHXFCSA-N 438.554 0.776 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1770740544 RZRSALIUQBEGEO-CQSZACIVSA-N 430.419 0.412 30 20 ICED 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YPRDAENGHOKOBK-LERHUMBHSA-N 439.494 0.137 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1838126135 FFWHRJPJDZKTQS-UKKLRFBMSA-N 433.509 0.779 30 20 ICED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740029 DLIKHMHDMXOARK-VGSWGCGISA-N 431.537 0.934 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1838906170 VKXHVJFRUBBNMF-JOCHJYFZSA-N 426.473 0.251 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1839173103 ABNIAQYAFHJBPG-QFIPXVFZSA-N 449.504 0.800 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2)C(=O)O 1839453949 KTPOPVGIASYMAH-NYBOLYEOSA-N 427.457 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ccoc4cn3)CCO2)C1 1839483913 WTNIRAMVMTVGDT-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839842779 GHIBITSSJNIFGJ-QRQCRPRQSA-N 443.504 0.613 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1840042430 VDBFNUKMZFGQKL-SFHVURJKSA-N 441.362 0.258 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840291970 PPVLGGNXFITFLG-FQEVSTJZSA-N 426.535 0.543 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@H]2C[C@H]21 1840912655 JEWKAFCLYKXNNA-DBHNTLKXSA-N 448.520 0.754 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845439258 VSRKJIXIWOXDBX-OAHLLOKOSA-N 425.482 0.542 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCc2ccc(I)s2)CCO1 410135352 FVOKCBUYABXCCV-SECBINFHSA-N 427.289 0.954 30 20 ICED CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 439972542 KGRNKQWTYBHBSC-IBGZPJMESA-N 445.483 0.952 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@H]2CCCO2)c1=O 440376245 AHTABVFTUHGKQR-JKSUJKDBSA-N 443.525 0.789 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C)C1 442105121 WVXDACMBZVSSDK-CQSZACIVSA-N 442.451 0.917 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 443030975 ZWRSJXDHRKBXKO-QGZVFWFLSA-N 445.538 0.597 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472150217 CKXSHIRXRHCTOH-UHFFFAOYSA-N 431.522 0.317 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 476900189 ABVFOQSKIDIBFA-GFCCVEGCSA-N 426.513 0.561 30 20 ICED COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480296350 UKVNYSIIJGMNGH-DLBZAZTESA-N 441.531 0.536 30 20 ICED COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(F)(F)F 488608696 IMFUUOZCIJTPGM-UHFFFAOYSA-N 448.467 0.902 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1 501217709 MOKDIUCDWIRMMY-KRWDZBQOSA-N 443.525 0.270 30 20 ICED CCOc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 510696046 FABMZMDUBGRKEX-UHFFFAOYSA-N 438.506 0.711 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 514943156 BKJJPWJZIHMBMF-UHFFFAOYSA-N 438.488 0.992 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 521176236 YQYGPVKXKUBIBO-NRFANRHFSA-N 425.533 0.383 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 523251829 MAOCUYRPFXBXHI-UHFFFAOYSA-N 436.518 0.841 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CC(N)=O 531760301 WKXZCUUBSUAJFP-UHFFFAOYSA-N 447.520 0.485 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 540529729 IWMKWQUEXMLWLP-YJBOKZPZSA-N 428.532 0.617 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3cccc(S(N)(=O)=O)c3)n2)c(F)c1 542083279 KQCWJTPCYZZMSN-UHFFFAOYSA-N 442.432 0.785 30 20 ICED COc1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc(OC)c1OCC(N)=O 553356468 XCIOVLVIZBIUGN-UHFFFAOYSA-N 425.445 0.797 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 556034647 VXWUHDMAMCVVNP-MAUKXSAKSA-N 436.534 0.634 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 567212025 WDKBHNWWVRTKFM-UHFFFAOYSA-N 437.501 0.897 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1O 589448244 ODIHCWXLEUVJQA-MRXNPFEDSA-N 433.486 0.518 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1 590542727 FUWKDARPCHYDHJ-UHFFFAOYSA-N 429.462 0.831 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)nc1 610554230 NDTLQEGIHFAUKR-UHFFFAOYSA-N 433.494 0.329 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)(F)F)C1=O 726403368 JWMWXMORZATUJE-FRUQYNCGSA-N 438.453 0.832 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H](C)COC 733717239 JVVKZZXWRZOJRZ-JSGCOSHPSA-N 431.536 0.765 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 745434127 XMRDJKOQNSINNA-SFHVURJKSA-N 429.454 0.804 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 747573134 UWUBCYIEECSRMY-HOTGVXAUSA-N 430.509 0.512 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCOC 748042540 MCDMBLMMJLKTKA-ZFWWWQNUSA-N 431.514 0.538 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCSC 751832027 NLGAOXVFRFNUCC-UHFFFAOYSA-N 449.602 0.706 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)n(C)c1=O 754809162 CPWIWYZGXBCEFF-UHFFFAOYSA-N 430.808 0.141 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1F 755477789 UKMYPKVMBUMUTC-LUVWLHFXSA-N 447.488 0.827 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 761035707 CCSPNGPTRMXGNL-UHFFFAOYSA-N 440.525 0.941 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@H]3CCOC3)c2=O)c1 763458977 VHDQNEBOXMHQLB-MRXNPFEDSA-N 444.582 0.363 30 20 ICED CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 769150840 NTIBKFQJCIDWRZ-UHFFFAOYSA-N 449.493 0.591 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782924470 GTDRPUVEKNMIAD-UHFFFAOYSA-N 435.914 0.569 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 783348341 YROUSKIWEOJKNR-UHFFFAOYSA-N 443.909 0.468 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 783351096 UAVASIWHDKOFFH-UHFFFAOYSA-N 430.486 0.667 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 785330156 NPAJHVBMWSMEAU-OAHLLOKOSA-N 433.534 0.720 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)n1 789793971 UGZGSFGCPLSYNP-UHFFFAOYSA-N 433.490 0.685 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccc(F)cc3)c2=O)cn1 790114209 WHIUMFJQKREZPD-UHFFFAOYSA-N 437.500 0.807 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 793195148 HHLYASLWXXABIF-UHFFFAOYSA-N 429.495 0.976 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@H]1C#N 796664333 SECQGLRZQDCHDR-XHSDSOJGSA-N 435.481 0.162 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1F 914881849 DDCQLTXTTJUCDO-UHFFFAOYSA-N 427.479 0.867 30 20 ICED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148393250 UGCNAMVCLCXPNZ-MRXNPFEDSA-N 425.445 0.640 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CCN2C(=O)c3ccccc3S2(=O)=O)c1=O 1166221398 PVYSRSLDJPNFMK-UHFFFAOYSA-N 428.470 0.397 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1339781074 YSVNOUMXVBCEQK-XDOYNYLZSA-N 441.488 0.604 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cn(CCC#N)nc1-c1ccncc1 1344074259 CPAOROCDTQNWJK-SFHVURJKSA-N 430.534 0.984 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1360299124 RCUMWWACQBDHFZ-UHFFFAOYSA-N 438.536 0.552 30 20 ICED CN(C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1503401063 VVLPSSNQMQMWFC-MOPGFXCFSA-N 439.520 0.947 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCS(=O)(=O)CC3)CC2)cc1 1541097743 LPQQFEQPVUSJSU-UHFFFAOYSA-N 425.532 0.652 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1=O 1618482784 PRHZTQVJHOURPA-HXUWFJFHSA-N 428.518 0.875 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711020260 QKPBSUFAMCLXDK-IRXDYDNUSA-N 437.570 0.588 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1740747829 XOOHHSALQXZPBL-UHFFFAOYSA-N 441.330 0.780 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1767625996 ITBZYCZKOUWIFA-NRFANRHFSA-N 435.492 0.983 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778592733 IYSUHXMFWWEFRK-OAQYLSRUSA-N 425.493 0.455 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1779037552 CMACLHQSLGONEZ-NRFANRHFSA-N 447.536 0.554 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394783 UCYHZLPIJZASQP-HXUWFJFHSA-N 440.416 0.712 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1782185900 CYYLOJDKCHUORQ-SQGPQFPESA-N 427.567 0.632 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc2ccc(Cl)cn12 1783565506 MAVRODXPFKHVOB-FQEVSTJZSA-N 430.848 0.828 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783887298 YHBHPZUNSRYTJH-MDOVXXIYSA-N 443.566 0.771 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783931242 XPLPYBASVNINFA-VXKWHMMOSA-N 447.463 0.686 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1783972958 ONNZBFRARLBGPF-UWJYYQICSA-N 443.529 0.992 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368883 CJRVRUJHDRAGBZ-DENIHFKCSA-N 447.536 0.270 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21 1784478863 NCTYZAHAIXOASM-USNOLKROSA-N 437.500 0.899 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379764 DUNRHTFGHUHWQY-NRFANRHFSA-N 445.545 0.251 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)cc1 1786703279 CYKOUWRSUSCTGW-WDSOQIARSA-N 433.530 0.916 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c1 1786799044 LOPZBUXVQQZAAH-MUGJNUQGSA-N 441.532 0.063 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nn1C 1788655334 BQPJSUDWQHVOIM-YTZZXDFMSA-N 433.509 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3-n3nccn3)[C@H]2C1 1790166579 YFZINFFIFXDGLQ-IGGJEDBVSA-N 437.500 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794439663 AGRZHZJKVTWONM-DCXXXQMHSA-N 442.516 0.160 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795412535 OCDPXODKPBHTEX-CPBBTPEFSA-N 448.520 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cccnc1 1795602665 MRASFTCZNRVUTF-GMYCFHGXSA-N 427.505 0.330 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795704802 TXZZPDNFQONJOW-GUIRCDHDSA-N 429.502 0.515 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1796881786 YLXRCLSAIDDQPL-OROSZNHASA-N 434.566 0.899 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2n(n1)CCCO2 1797437384 AWJLEIPHQNZZRF-TYGXFAMMSA-N 447.492 0.398 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797756902 RVPNSKGAWJLDMJ-XEMDLRDOSA-N 429.546 0.174 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(O)cc1C 1799829030 NQQNKVJRFYJHJH-ZTENYAIWSA-N 431.445 0.850 30 20 ICED Cc1cnn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)c1 1799883577 XUAQOPJOIVQVTE-CWPLJXCYSA-N 433.472 0.843 30 20 ICED C#CC(=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 1800452740 YMJSWVKEWQOGPJ-KMWNMMNJSA-N 433.505 0.093 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)C2 1800453766 MKQOSVPCBPRKDM-FSTVOOFJSA-N 438.532 0.490 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801867266 SJKMPMNAOPFFEY-CWPLJXCYSA-N 436.468 0.869 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802484341 ZOFYMVHPIMELFX-UFWCAZQKSA-N 425.489 0.224 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1804126811 JBDWFAQVNHBGJA-MUJYYYPQSA-N 425.445 0.127 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807112089 FQTOQDZWOBOICE-REWPJTCUSA-N 430.512 0.979 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1808845804 OXXFZJGBWGXILR-QSOKESPWSA-N 432.525 0.481 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccnc1 1809886225 ZXUGALUSYBMTDB-KSFYIVLOSA-N 448.435 0.820 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1811795262 MKDFAODLEQTTCD-ZJOUEHCJSA-N 434.500 0.866 30 20 ICED C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)n1cnnn1 1813471210 ROHYGJFYDWIBCW-XSEVWMMZSA-N 439.524 0.807 30 20 ICED O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815768898 GCERLXLJKFIUHJ-CQWYDTSVSA-N 441.448 0.712 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826013263 OPGPEUMZUCMRMB-QWRGUYRKSA-N 432.593 0.104 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635805 PVVJPNVHVFRMSS-JOCHJYFZSA-N 444.488 0.303 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1829783857 XLJHLHOTDQNGEJ-XMSQKQJNSA-N 439.553 0.586 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830211688 NGSFNMQGRPEKHJ-GMAHTHKFSA-N 428.485 0.598 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1830456894 WNKDKJLFOWGWNP-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831391504 CTIISXRDIVLOGW-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1)C(F)(F)F 1832182852 JHGHDSLOLNFIOW-QWHCGFSZSA-N 440.312 0.657 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833480428 HONFUWFQPNORQD-QVKFZJNVSA-N 437.468 0.890 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833678224 JZHWMVLLPAQHJR-UHFFFAOYSA-N 431.537 0.303 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834027882 HKZYZKKLWCGSDJ-JOCHJYFZSA-N 428.489 0.245 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1834856315 ISNKNNUBZALTSI-QFIPXVFZSA-N 445.472 0.590 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1835682273 DOKLXOIQKHFSTK-KTBYTZPXSA-N 430.509 0.161 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COCCOC)CC2)CC1 1835712743 AXJIESOTCIELGB-LJQANCHMSA-N 425.570 0.794 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835731361 DVRXDGVCKXKCOW-XQNSMLJCSA-N 430.557 0.321 30 20 ICED COCCOCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750089 DPYRCHJGIMOZTB-UHFFFAOYSA-N 449.592 0.920 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1)C(F)(F)F 1836084265 GIMNZEXEQOUVEW-INIZCTEOSA-N 434.440 0.964 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836370037 DMXWAVJHHPEBIO-HXUWFJFHSA-N 446.847 0.146 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837004956 SGMQKXOLIKWQOA-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193429 KXJXOHVMNYIDPS-QVKFZJNVSA-N 427.461 0.066 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447454 OTWZBUXMOOHHDH-SEXXXUADSA-N 446.552 0.681 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837489051 YMYCLOVXKVVQFR-QHCPKHFHSA-N 429.517 0.794 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489775 UUYMMPLLQRWFJL-JXHRLWIKSA-N 435.565 0.515 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1838583584 ITQCGHTZCYNOAM-JOCHJYFZSA-N 427.457 0.616 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838736291 VUJODRXCULQSFH-OAQYLSRUSA-N 426.477 0.323 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108153 AIJCHLMCUXCDKI-QFIPXVFZSA-N 432.565 0.026 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425091 LPFUVFKWKRBTPW-HXUWFJFHSA-N 434.880 0.418 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccccc1 1839864530 ZVLAYRDDJFBTLL-GBXCKJPGSA-N 441.528 0.906 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839874834 DOWNWHDGEOIAOK-SBUREZEXSA-N 442.516 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(F)(F)F)c3)C2)C1 1840040833 ALPSKCJIVISHNI-GOSISDBHSA-N 441.362 0.258 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840067088 SVEITFDHKUWNSS-JOCHJYFZSA-N 433.480 0.922 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840143883 HOULRLSDCFJDBX-ZFCANOHDSA-N 426.535 0.517 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840163463 HUNLUBONFRSEEF-BUXKBTBVSA-N 449.489 0.859 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840842416 FQGRDYSJEUHZDG-QFIPXVFZSA-N 427.457 0.501 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCCOC)nnc12 22697107 XNDDXHWOWQCTMB-UHFFFAOYSA-N 430.490 0.201 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 409596646 UIQMUNFUDPSCNV-WBVHZDCISA-N 444.579 0.960 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 410388732 RQMHMBYDHRKDFB-QLFBSQMISA-N 430.527 0.012 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 430385213 IDFQEYVCLSBDSV-MJGOQNOKSA-N 435.546 0.925 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3ccc(O)cc3)n2)c(F)c1 436741121 SCFKVMTXDRTFRV-UHFFFAOYSA-N 436.403 1.073 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 444417524 QJOYVJZRLLBSSV-KRWDZBQOSA-N 440.504 1.498 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 460595920 FBIJHVAIRPSXAC-HOTGVXAUSA-N 425.493 1.001 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)C(=O)[C@H]1C 460774808 YQTXLSZVFGCFHB-HUUCEWRRSA-N 426.543 0.244 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)cc1 473375302 VEPUOBPIAOVFJM-UHFFFAOYSA-N 435.502 0.751 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)CC1 477646831 FLNJCZVMODLHAC-RTBURBONSA-N 438.532 0.863 30 20 ICED N#Cc1ccc(S(=O)(=O)CCn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 480316780 VIOKPLSTZVFYJT-UHFFFAOYSA-N 436.453 0.857 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480446685 LLGUZQHCIZPFMK-CABCVRRESA-N 433.534 0.036 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 480893668 CFNQUMMURCDCSP-MRXNPFEDSA-N 434.499 0.831 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)s2)c1=O 482553669 KRYGATHOSJXLDZ-UHFFFAOYSA-N 442.522 0.578 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 487619741 HUVCCJRSVLPLHS-UHFFFAOYSA-N 433.534 0.259 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(-c2ncccn2)n1 488648301 QSNIFEJBCFHRNG-QGZVFWFLSA-N 444.455 0.698 30 20 ICED CCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 492075337 DWGMINDSJRJNNX-UHFFFAOYSA-N 436.534 0.920 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC 499751206 RFJMHVHYQNUCQH-UHFFFAOYSA-N 428.239 0.601 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCCN2CCOCC2)CC1 502787203 GOHKBFBTVNCWEZ-UHFFFAOYSA-N 435.550 0.687 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C 505711423 XANDQZFVVNVQMH-UHFFFAOYSA-N 437.319 0.260 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 508966032 FVKWFIHANJDQPK-UHFFFAOYSA-N 432.444 0.277 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O 512761399 AQSHCBLJYMRRGA-UHFFFAOYSA-N 435.509 0.477 30 20 ICED COCCOC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 514409951 MAISMDUOEAKXGJ-MJGOQNOKSA-N 428.489 0.681 30 20 ICED CCOCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 523735665 XGULYSCKMYXWTQ-UHFFFAOYSA-N 439.545 0.549 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 524978919 MASCBXJGBHULLU-UHFFFAOYSA-N 429.520 0.857 30 20 ICED CC(=O)NC[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 533432861 KTOZOSVUWYSKQB-INIZCTEOSA-N 442.476 0.292 30 20 ICED C=CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 542817537 RKXHPWYHORRUBG-UHFFFAOYSA-N 448.592 0.269 30 20 ICED COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(OC)c1 542888497 KHNNUKYCHFYKER-CQSZACIVSA-N 429.433 0.647 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 551191589 CEYRXKGKYISGHB-UHFFFAOYSA-N 427.428 0.693 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2)c(F)c1 554157717 FTPYYKJLBSKIHU-KRWDZBQOSA-N 439.495 0.850 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 560671475 USAKSGBAFMCAIP-UHFFFAOYSA-N 433.502 0.833 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)n2)cc1 563314827 VZYZVMAYGHGUET-AWEZNQCLSA-N 449.393 0.806 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 571576746 HUODKCAUBPXDLI-HPGBDJQBSA-N 435.531 0.385 30 20 ICED COCC[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(N)=O 574345128 VGYZFOLAMKHKQI-HNNXBMFYSA-N 426.477 0.987 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2=O)cc1 575155592 RFQQEVDNFPKCLU-INIZCTEOSA-N 437.422 0.876 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cc(F)cc(F)c2)n(CC(N)=O)c1=O 583361177 KBJFGHLDKLBHGI-UHFFFAOYSA-N 443.435 0.276 30 20 ICED CO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 588869155 DJITVZMTGMTGBM-CJNGLKHVSA-N 440.460 0.524 30 20 ICED N#Cc1c(CCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)nn(-c2ccccc2)c1N 590420909 SNBAVRWOMGCZCS-AWEZNQCLSA-N 431.522 0.290 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 609391298 QFFGOHAOYABLGX-UHFFFAOYSA-N 427.421 0.580 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609955205 LKDRPWWBDVKFHY-ZFWWWQNUSA-N 431.518 0.873 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CCCSC 612665587 DULFTDOCOATDGY-UHFFFAOYSA-N 447.538 0.649 30 20 ICED CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cnn(CC)c1)S(C)(=O)=O 726113030 RFAVSKRMGXDJAQ-CQSZACIVSA-N 444.583 0.642 30 20 ICED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 732483403 JEVXOOOSAHSBCC-UIFJYSFJSA-N 449.533 0.423 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc(OC(C)C)cc1 732909805 GALATYLMLJFQIW-QGZVFWFLSA-N 445.501 0.942 30 20 ICED C=CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 735862679 ASFJWVIQJITIIM-QGZVFWFLSA-N 443.547 0.918 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)c1 742893021 MXBNNABXNLZAGA-UHFFFAOYSA-N 449.554 0.957 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC(C)C)c1=O 755625082 NXXMDMCJCDNVEC-UHFFFAOYSA-N 445.589 0.690 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 756456573 FJBBOJYVCNLOKH-UHFFFAOYSA-N 433.490 0.805 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 758094002 YLHMSLDOJIOEEM-HNNXBMFYSA-N 443.909 0.865 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 761026500 ZKKWHMOKVBPGIE-UHFFFAOYSA-N 442.563 0.565 30 20 ICED CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 780401776 KPKWTAIUHAIMQM-PYCFMQQDSA-N 435.550 0.992 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 783546323 KEXUBQHWVMHOQD-UHFFFAOYSA-N 425.532 0.565 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 785163643 IZANDFAUZQPDHM-UHFFFAOYSA-N 437.518 0.964 30 20 ICED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1ccccc1 786270140 UDAPUKWHMBFNRX-ZDUSSCGKSA-N 429.454 0.656 30 20 ICED C[C@@H](OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)NC1(C#N)CCC1 787725246 UOEXKSKMCBFUDF-DOMZBBRYSA-N 426.429 0.411 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@H](N4CCCS4(=O)=O)C3)C2=O)cc1 788389983 YFEQBRRDRPXVHB-SFHVURJKSA-N 431.518 0.780 30 20 ICED C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)n1 788695956 BHECBMGTHBPFBH-HXUWFJFHSA-N 445.501 0.790 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789609170 GWAMWXJYIJNQNX-JCMHNJIXSA-N 434.478 0.819 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)cc1 790225715 UDMGKQXTSJXRRY-IBGZPJMESA-N 425.470 0.979 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)n1 791012861 KCAIRQYISQLKNU-UHFFFAOYSA-N 432.502 0.672 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)c1 791983971 TUOIHPJFSKYGRU-ZACQAIPSSA-N 432.502 0.501 30 20 ICED COC[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 800920449 ODCUKNMQKKLJET-GOSISDBHSA-N 426.470 0.337 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 805716897 PJUDDADCNCMEPP-LJQANCHMSA-N 436.424 0.621 30 20 ICED Cc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 807399090 IBCBVROYYABJER-NIAFYLGNSA-N 433.494 0.742 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@H]1CCCO1 809313578 TXABGKGKLCSWEZ-WOJBJXKFSA-N 427.501 0.596 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 893772812 GNSAFUXILXCVOY-NSHDSACASA-N 447.897 0.822 30 20 ICED N#CCCN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652583 FWSRFTVMGULSTN-WBVHZDCISA-N 433.486 0.512 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCOCC2)CC1 1288774504 ZFVPPSMQFGGKJD-CABCVRRESA-N 425.559 0.491 30 20 ICED CS(=O)(=O)C[C@H]1CCN(c2nc(N3CC[C@@H](CS(C)(=O)=O)C3)ccc2C#N)C1 1324330120 HNYRLRKAPHMLCI-CABCVRRESA-N 426.564 0.695 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)CCO2 1472194433 IJVISHCKTLAHMJ-UHFFFAOYSA-N 447.492 0.839 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CCO1 1620355120 PFNCBULZFJDPDN-GOSISDBHSA-N 437.504 0.602 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1632250159 PPHJUEJLGKRRTE-QGZVFWFLSA-N 441.575 0.811 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](CO)C1 1637732424 MCECTJPASJVTDV-ZDUSSCGKSA-N 438.506 0.165 30 20 ICED COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1661993038 UWIWJUHVKUCMFC-DOMZBBRYSA-N 448.339 0.667 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)n1 1693431701 SRKRWFUBEPLPBZ-QGZVFWFLSA-N 433.538 0.693 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCNS(C)(=O)=O 1694320196 FMPDYKZPDNRGIO-UHFFFAOYSA-N 425.559 0.876 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1711073836 JUBAPROHMJZRIF-XLIONFOSSA-N 431.518 0.840 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1723963418 ZXUDADGEPRVBRL-AAEUAGOBSA-N 428.906 0.167 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1731011724 VGUINJBTMSFRQX-UHFFFAOYSA-N 443.533 0.425 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1779101621 RYIMMWLLLGBZRX-CINKFKDASA-N 437.472 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C)nc3OC)C2)C1 1779738977 SHHUJYFORYYNNO-RHVSLNNASA-N 428.489 0.701 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1780806925 DZIODCSGPMKKHN-WHSLLNHNSA-N 449.508 0.876 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1781302297 MDNIAQQISODMGW-VFNWGFHPSA-N 426.452 0.922 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1)C(F)(F)F 1782790013 WJLPDKAFYHEIFY-KRWDZBQOSA-N 444.366 0.705 30 20 ICED O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785000185 VOHXEELIPOVEPZ-FWRLKSIFSA-N 447.580 0.840 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1785576333 CGXYZQCLFDYLKG-KSFYIVLOSA-N 443.504 0.837 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)[nH]4)[C@H]3C2)c1 1788956165 GKGUBJYCNYKDME-OWQGQXMQSA-N 425.445 0.903 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)c1 1789093370 QTQLMELXECRXAO-ULQDDVLXSA-N 434.456 0.354 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1789223838 CWFZZZAZFMTPGT-XGTNLFOVSA-N 446.504 0.508 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1790224483 JNZVJKHKFDBIKV-ZVZYQTTQSA-N 428.468 0.131 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccc1C)C2 1792484185 GYZIEOFBBSAOOM-KAHPKBMISA-N 426.517 0.771 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC)C(F)(F)F 1793317523 DIWNMIQOJAJKLK-FVCCEPFGSA-N 427.445 0.022 30 20 ICED 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)CC1)C2 1793604396 DUSHBRHWBPTCAC-YYIAUSFCSA-N 448.520 0.516 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835636 PLOHWKCUAHVUBB-IZZQQSIFSA-N 441.594 0.299 30 20 ICED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1794338344 DFYJGXXTRDRDJK-FDHDJMNUSA-N 430.509 0.550 30 20 ICED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994005 HXRZRUDGIPUDNF-JLUCKKNBSA-N 426.395 0.946 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1)c1ccc(O)cc1 1797686524 GOCQIPJVBZUZQB-FSTVOOFJSA-N 438.484 0.355 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808747 PFVNAMJTEHIJSA-OZHCATNZSA-N 439.509 0.837 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccccc1 1797876628 KLPIDHQWWBNYAH-XCRACJGTSA-N 440.544 0.366 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1801051294 CJCGFCHNEHOZLB-KJOVKWNASA-N 436.509 0.252 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1801762114 ACIWJNGOBQWRKA-QFNVCVKDSA-N 427.505 0.110 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804086805 BGEGTVRPQYCLPX-OLMNPRSZSA-N 433.534 0.594 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804171404 VVTLZCOYTOGBBT-DNVCBOLYSA-N 431.518 0.558 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807853932 YAFPJZUKAYWEIU-YVNJGZBMSA-N 441.576 0.762 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1813035850 AADNXVQBTAQCGK-YXJHDRRASA-N 440.591 0.831 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819556233 BHIDQFAJXRWSML-MFKMUULPSA-N 433.538 0.961 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825072089 NDAWDGZKJGUWPU-DLBZAZTESA-N 446.552 0.486 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830418480 ZDWJABPOIQPNGV-ICSRJNTNSA-N 440.585 0.694 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1831393068 UNFLCCJNZXFNFN-VBKZILBWSA-N 434.518 0.524 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831397413 XLGJJIIHHNSARR-QVKFZJNVSA-N 433.461 0.346 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1831398689 HZXOJOBTJILYOD-JPYJTQIMSA-N 440.500 0.751 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831488656 ZGVUEIINTZLITF-CXAGYDPISA-N 427.483 0.342 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831609457 OIXQFIKWTWXXOD-QKKBWIMNSA-N 448.907 0.793 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832940640 IQYGZIKBYPYKLZ-SKPKZUESSA-N 449.508 0.328 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833333356 HHNMAGFMCSRGFF-KSFYIVLOSA-N 446.504 0.701 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c(O)n1 1833695918 JQEQPVUPIWABQG-HSZRJFAPSA-N 443.500 0.955 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C)C3)C2)c(O)n1 1833699119 SJFVGAFNCPGBJP-HSZRJFAPSA-N 446.548 0.928 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099379 HYECYHGQZUALHS-MBSDFSHPSA-N 427.501 0.361 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1835718806 XXSWLZKFKJXUBE-YJBOKZPZSA-N 433.557 0.379 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)c1 1836115483 VAEBXXZNQWIGBI-FQEVSTJZSA-N 442.501 0.539 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593894 HSGQOBOLSHHGNL-ZHRRBRCNSA-N 447.557 0.807 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022275 HOWYZDXBVDPBRC-SBUREZEXSA-N 438.484 0.738 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837078667 ITIMACXIQWOEOM-XXBNENTESA-N 442.516 0.977 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837303409 VGXISYPODOFVFF-FDDCHVKYSA-N 445.516 0.526 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527721 UCEYMXMKSWWLFX-UZWDYZERSA-N 440.541 0.360 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837566952 WEWYSSDHTZKEHS-AAADOUPPSA-N 432.521 0.497 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1837727863 QLVXZPMITDAYQH-PGRDOPGGSA-N 439.553 0.586 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837861162 ZSPIAKCWFISZGW-GOSISDBHSA-N 435.569 0.398 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)cc1 1838311211 CKZJYIPTWAPTDL-NRFANRHFSA-N 425.445 0.644 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1 1838350319 NZUPUTOAPVZVLJ-JOCHJYFZSA-N 437.456 0.741 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839029295 BYEXFXLJPIQJKR-OAQYLSRUSA-N 432.452 0.914 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839172622 WVIUGXVUSWSAQR-NQIIRXRSSA-N 436.461 0.279 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839228210 VUXXKDLBCHCZSN-YCRPNKLZSA-N 435.477 0.969 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cn5cccn5)C4)C3)c2c1 1839488006 QOQIFLOJUCGWTR-JOCHJYFZSA-N 449.471 0.401 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)C1 1839691622 DIYBFWZYKHCJAQ-XMMPIXPASA-N 440.544 0.806 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)C2)C1 1839810705 MMTFXMWWASBHOW-VGSWGCGISA-N 435.521 0.769 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1840157697 XWVVUPWXMFNIHM-OTJGTNKMSA-N 425.463 0.976 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842832871 ZALPZKIRASPYJA-INIZCTEOSA-N 432.521 0.729 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c1 1844727328 FQSDEXDGOLGNFA-UHFFFAOYSA-N 437.456 0.655 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845103814 KHRMLRLUXCIPOB-ZACQAIPSSA-N 435.521 0.456 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CS(C)(=O)=O)nc1 1847261535 SILNNEJGDRYAHU-LUNNPTDRSA-N 446.529 0.300 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 31526190 QVHRXOPKYDZAOU-UHFFFAOYSA-N 438.487 0.206 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 409555093 UPCLWDSAZXXQHN-UHFFFAOYSA-N 443.551 0.465 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N 439340352 ITUBCBBNOCOSQV-AWEZNQCLSA-N 437.522 0.330 30 20 ICED C=CCNC(=O)Cc1noc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)n1 445354194 XVYJPGDGEJCJST-UHFFFAOYSA-N 433.490 0.434 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 460595785 GMKOPSJMXURWCC-INIZCTEOSA-N 437.504 1.098 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465428961 WAAFBDUTFYMMRM-ZDUSSCGKSA-N 432.448 0.308 30 20 ICED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 467212870 KRPWVHOZXIDDMR-UHFFFAOYSA-N 431.430 0.161 30 20 ICED Cc1nn(C)c(N2CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)c1C#N 472428547 GQFLNYIWGRMAER-UHFFFAOYSA-N 437.547 0.734 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)c1C#N 472849391 DRRQEHGBACFKEK-UHFFFAOYSA-N 438.492 0.119 30 20 ICED C=CCOC[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 481785435 JMGDBERKXTXDTA-DLBZAZTESA-N 430.461 0.397 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)C1=O 488355061 KYHIJTSYZRREAD-QGZVFWFLSA-N 426.351 0.499 30 20 ICED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 490465429 PLYZDWASEUPHRP-UHFFFAOYSA-N 430.552 0.221 30 20 ICED N#CCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 505080208 CVQARNQEAPSAIO-UHFFFAOYSA-N 436.534 0.968 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(C)C)CC1 505688899 CYHGYZRXHSJPMB-UHFFFAOYSA-N 442.589 0.275 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508998779 DWRYGNGYBFHQJH-CQSZACIVSA-N 433.542 0.315 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)n1 513135004 FOPBTUQNGPKAPF-INIZCTEOSA-N 427.440 0.278 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523862370 WCVYDIKDFJILDG-UHFFFAOYSA-N 436.493 0.502 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 537033566 QBJVWVVCJQHMGC-MOPGFXCFSA-N 435.569 0.412 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 539179685 ZXZVUGLLJIAMRC-CYBMUJFWSA-N 429.433 0.733 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 550376733 JYRVNENARSGVPI-NRFANRHFSA-N 448.527 0.619 30 20 ICED CN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 551410040 RIGPPGCBTSXYIY-LBPRGKRZSA-N 434.396 0.888 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 551538754 PGVSUPLVDALJNI-UHFFFAOYSA-N 432.437 0.027 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N2CCSCC2)CCCC1 556305998 TZQYNNZGPXVAID-UHFFFAOYSA-N 433.582 0.732 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 559784693 KJQOSGVPXOAHKF-UHFFFAOYSA-N 441.513 0.690 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1F 560052002 AHLGNIVLKKWCAW-UHFFFAOYSA-N 449.439 0.922 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 573331708 BMLZIJGQDOSGJU-HNNXBMFYSA-N 442.563 0.541 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 576495529 WWOFEKNGEZQDFA-LAUBAEHRSA-N 445.545 0.038 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 609749739 UIYNUJAIXYSXLV-LBPRGKRZSA-N 434.396 0.588 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(=O)N(C)C 610244886 RXPWTDYJHRIWDM-UHFFFAOYSA-N 442.541 0.174 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 684535945 ZMFMOSPDSJEWET-INIZCTEOSA-N 437.521 0.771 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 732455097 CRSWLSPQBWTKOU-UFVMTTLYSA-N 441.488 0.921 30 20 ICED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(CC)c3)c(=O)n2CC(N)=O)cc1 732564677 NXKUMGUAJQJQKW-UHFFFAOYSA-N 449.536 0.950 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 745586640 NBAAVFHDOFIVGF-KRWDZBQOSA-N 427.438 0.780 30 20 ICED CCc1c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cnc2c1c(=O)n(C)c(=O)n2C 754346205 LJHJDDDBSAFNNX-GFCCVEGCSA-N 441.469 0.993 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cccc21 754685141 CCFHUPWGPBYTFE-UHFFFAOYSA-N 434.499 0.686 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 756302859 ULWNKCAONUQVSY-UHFFFAOYSA-N 434.396 0.958 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758587062 VMYUDORYUBAGML-UHFFFAOYSA-N 439.541 0.287 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 758663322 SWFACNAQJPLXCA-HRLGVUPISA-N 442.538 0.781 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(C)(C)NC(=O)C(F)(F)F)CC2)o1 759123267 MSZAIBCYBURAFF-UHFFFAOYSA-N 431.371 0.504 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 761024547 PJRIJPOGOCQHSH-HZPDHXFCSA-N 436.534 0.109 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCN(C)CC1 763604761 PNFDGAMKUXMCLS-QGZVFWFLSA-N 449.577 0.372 30 20 ICED COCCCS(=O)(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 769844002 CRLYSSFZLXGYFX-FQEVSTJZSA-N 449.533 0.267 30 20 ICED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)nn1 772840168 IQQSZABNHWFULV-UHFFFAOYSA-N 430.450 0.878 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NC1(C#N)CCC1 784187113 OUOOTQVQCQXDEO-AUUYWEPGSA-N 445.497 0.973 30 20 ICED C[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCN(c2ccccc2)CC1 788017246 VUPWCGIOWPREGL-GOSISDBHSA-N 435.532 0.808 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)CC2)c1C#N 788263159 RGLKLWGOYBUMPM-UHFFFAOYSA-N 441.517 0.330 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 799284201 ZVDONUJDFRRHGO-AWEZNQCLSA-N 443.909 0.190 30 20 ICED C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOC)CC1 802470679 USVGKXGTJNEWIQ-UHFFFAOYSA-N 432.550 0.597 30 20 ICED C#CCN=c1nc(N2CCCN(CCC)C(=O)C2)[nH]c(N2CCCN(CCC)C(=O)C2)n1 804646983 AFRSQDXJGIWPSK-UHFFFAOYSA-N 442.568 0.236 30 20 ICED CNC(=O)CNC(=S)NN=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 814844587 MBIPXKZTLAHKAH-UHFFFAOYSA-N 430.515 0.817 30 20 ICED C#CCN(C)CCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 818592908 FHHKAYODMYJUPM-UHFFFAOYSA-N 438.525 0.363 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 895786320 RXJKSULKBUMZTB-UONOGXRCSA-N 442.494 0.636 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)o1 915371121 OWMIJYPSQNGWGV-OAHLLOKOSA-N 441.444 0.688 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CCOC 1116157130 MKIHPGSZAAZRGT-UHFFFAOYSA-N 427.526 0.311 30 20 ICED C[C@H]1CN(c2cccc(CN(C)S(=O)(=O)N3CCO[C@@H](C#N)C3)c2)S(=O)(=O)C1 1211687075 ZBCWTSWALGWWTC-YOEHRIQHSA-N 428.536 0.373 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)CC2=O)cc1 1320712987 HKBIARWSDHRFSE-KRWDZBQOSA-N 427.482 0.994 30 20 ICED 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C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1706901950 MNCDRTQCTPDDKV-VHFSOBRXSA-N 449.508 0.956 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1779263151 BEHPFDFBVZQVKU-HTAPYJJXSA-N 429.521 0.521 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1779273761 FGSHUGFQGUVGHY-DRSNIGMVSA-N 435.521 0.812 30 20 ICED NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1779937843 ZJJMINQGGHUYTO-HOYKHHGWSA-N 447.495 0.755 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175564 PWNNAILFHYSJTR-IVZQSRNASA-N 443.504 0.718 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1781690773 KBLNZUOXBAQNFT-VGOFRKELSA-N 449.548 0.896 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1783054260 DZNPFCDBMPKARZ-PAODICLVSA-N 433.505 0.474 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1783990509 QDSCEWNRJYMTNV-JONQDZQNSA-N 438.525 0.401 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541536 WAMQONHIBPSBOT-ORAYPTAESA-N 441.575 0.250 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CC1 1786369839 URWUKAAHUCIYFZ-BZSNNMDCSA-N 449.552 0.432 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1786701031 GDAMPCVVLKHJNG-SNRMKQJTSA-N 438.484 0.956 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C[C@@H]21 1791076950 RHSQFIIMXHCIIN-CAMMJAKZSA-N 425.441 0.572 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1791258405 NMTXCRHVNVLUGG-PQENSZJKSA-N 449.573 0.464 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)c1 1791348424 VHQWZVMJEGKKJF-YEWFCNIMSA-N 428.464 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C 1792983622 BVFTWISYABFLCU-RZFLPCETSA-N 437.537 0.775 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC(=O)N(Cc4cccs4)C2)C3)CC1 1795408064 MCARCECKIUDFDY-OAFZBRQQSA-N 442.541 0.990 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1797713488 PWAYUFQLEPUPNB-UDUXLDECSA-N 445.516 0.615 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1799284587 YIQLIRHJOJOHDU-MUJYYYPQSA-N 447.455 0.863 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1nc(C)cc1C)C2 1799305329 APJXNWMKHXPZSS-RMFSNUHRSA-N 432.521 0.989 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CCOC1 1799330680 BVRBFVJLWYRHBW-ZQYRFBGISA-N 447.532 0.673 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778776 QCKDYTIQGQYOTB-XOIINTDNSA-N 437.493 0.215 30 20 ICED 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O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837527501 NSUADQMNAPJXAT-HCQBAUJFSA-N 446.504 0.610 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561610 XFEZXXYBTQSBJX-XZEIMLRBSA-N 429.477 0.685 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cccn1 1837567688 SVJQZUHDCHRWIW-DNPICXIKSA-N 429.477 0.613 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1838737366 QYIOCGIFKTYDFW-JOCHJYFZSA-N 438.440 0.999 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839225354 GZYCPZYUOMKBFN-IIBYNOLFSA-N 433.509 0.700 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(O)c1OC 1839376794 SACOMYGONXGVBD-JOCHJYFZSA-N 445.472 0.783 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)C2)C1 1839806156 CUTVLXHYOIHXMT-PMAPCBKXSA-N 449.548 0.969 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839885750 PGKMTWAAKSIJAC-JOCHJYFZSA-N 428.489 0.349 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840157979 FBRHAJCAIQMUJL-VLIAUNLRSA-N 449.508 0.795 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840175813 GTMDOLKFJIGFRO-ZQMYSKGWSA-N 425.485 0.929 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1)C(F)(F)F 1840193958 QTJIIDGSMAHLJT-OAHLLOKOSA-N 426.413 0.379 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1840367973 NOWYWSGXFIKOGR-NRFANRHFSA-N 433.509 0.264 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840429974 JSCUUEVUCUVZJF-XMSQKQJNSA-N 446.552 0.257 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840851743 QPSUQQIRDRMXFH-FXAWDEMLSA-N 427.567 0.667 30 20 ICED C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 301274595 YYNSCDUSIBISBK-GFCCVEGCSA-N 427.490 0.950 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 409483982 KBYPMLJJYDSAFF-UHFFFAOYSA-N 428.462 0.786 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 409564519 AEMCEOHITJWJSQ-UHFFFAOYSA-N 431.603 0.509 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc1 410168036 HCRGBVJKFORVAG-UHFFFAOYSA-N 438.550 0.014 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCO1 410422752 ZBJNNQUFJRRNKT-UONOGXRCSA-N 429.296 0.391 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 437304974 LPKLDHOABDHHIP-QGZVFWFLSA-N 434.518 0.719 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440374424 LEKMJQGONQZUQR-UHFFFAOYSA-N 445.460 0.501 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 442267419 ZOIYASUZDHTBCF-INIZCTEOSA-N 427.465 0.371 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCSC 443686968 YTSUJJIMYVHWAA-UHFFFAOYSA-N 433.555 0.547 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 444504481 CJLDOJRCIDANGN-UHFFFAOYSA-N 428.880 1.302 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 444740434 WBCVXGMDBXLOKG-CRAIPNDOSA-N 443.460 0.453 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444773859 GJLKXUQEEOEASK-LBPRGKRZSA-N 430.896 0.585 30 20 ICED CC(C)C[C@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 467285423 FTRXCDKSLQHARM-BIENJYKASA-N 426.485 0.472 30 20 ICED N#Cc1ccccc1OC1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 469965012 MURIKLJPAYEOTF-UHFFFAOYSA-N 445.501 0.770 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2=O)cc1 478802081 YWXKDFNQEJKDSG-IBGZPJMESA-N 449.467 0.350 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cccc(OC)n3)c2=O)cn1 479365588 KIMYYYLFRFSIPI-UHFFFAOYSA-N 438.513 0.547 30 20 ICED C=CCOC[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 481762791 BPTCKAZALAXCJZ-SFHVURJKSA-N 439.534 0.307 30 20 ICED COCCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 481854594 ROHBWFNSTOHZIU-ZBFHGGJFSA-N 443.547 0.277 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)c(F)c2)c1=O 488146229 OQIMENRTKZMKCI-UHFFFAOYSA-N 449.529 0.137 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489151051 ZNUMXJUYLLBGLW-INIZCTEOSA-N 441.509 0.515 30 20 ICED CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 493895228 VLPYGCVONQSJKT-UHFFFAOYSA-N 426.433 0.053 30 20 ICED N#Cc1c[nH]c(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(C#N)c[nH]3)CC2)c1 496568145 DYRUSXVHUSDJGW-UHFFFAOYSA-N 436.520 0.644 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2=O)cc1 504418265 HXRHACMDIMCLBU-QGZVFWFLSA-N 446.489 0.460 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cn1 504589914 BDHUKRVUPONMGB-LJQANCHMSA-N 436.472 0.583 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cccc(C)c1 505658282 HSGBDIGJMQOABE-UHFFFAOYSA-N 437.525 0.515 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 505662393 MFILWSLOXSNUJZ-JKSUJKDBSA-N 442.541 0.487 30 20 ICED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 508250417 MAROXQGOVAZPSX-UHFFFAOYSA-N 430.490 0.610 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508828216 ORIBLYKCAUWQBR-KRWDZBQOSA-N 437.464 0.312 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)c1=O 512762893 WPEJPOYZLZMEQP-SFHVURJKSA-N 449.536 0.914 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 514822219 OMRHCVGEPTUBMQ-QZTJIDSGSA-N 445.483 0.829 30 20 ICED Cc1nc(SCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)c(C)c1C 515785827 MLTCAODDNHGSOC-UHFFFAOYSA-N 431.562 0.974 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 516699483 XBDWGIAZOWTHKI-IAGOWNOFSA-N 442.559 0.959 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc2O1 517138733 YVUVFYSBZGDPPI-NRFANRHFSA-N 449.511 0.989 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)c(F)c1 519168513 GXDVRRSVCZJEKQ-QGZVFWFLSA-N 429.496 0.763 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(S(N)(=O)=O)CC2)CC1 522509957 YTTPLUGAIRLOEY-UHFFFAOYSA-N 434.478 0.370 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 523745133 RTSQJFHGVDMXNJ-UHFFFAOYSA-N 442.541 0.932 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccco3)c2=O)cn1 523856916 AOQPEXXRQXSHGF-UHFFFAOYSA-N 427.486 0.364 30 20 ICED N#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 532469971 HUSBAKJDOJRQRG-UHFFFAOYSA-N 443.323 0.702 30 20 ICED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 532702582 UKJPCSXOQXFWEU-CQSZACIVSA-N 435.506 0.084 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)n2)c(Cl)c1 543002195 RCTQDWQHOBCKJO-GFCCVEGCSA-N 437.865 0.266 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)n2)c(F)c1 549790904 BCQBDXRSQJBMIW-DNVCBOLYSA-N 441.463 1.505 30 20 ICED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554695470 GFAHQHMVIUBLTH-GOSISDBHSA-N 435.488 0.290 30 20 ICED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560051677 PSYMXWVFSMHHSE-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 560983025 OPAGUFWYUBPZTB-OAQYLSRUSA-N 448.527 0.435 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 561836670 JRZWLXAYBVNKGQ-UHFFFAOYSA-N 440.504 0.701 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 572533483 KVEBWJLWFHGVJX-UHFFFAOYSA-N 433.428 0.979 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)n(C)c2n(C)c1=O 609461792 MNXZDAAZSFTTAI-AWEZNQCLSA-N 438.463 0.985 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)cc1 642962324 JQDHGKZWNQUKDN-HNNXBMFYSA-N 435.502 0.992 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 727511085 YGGMQMNUXZKECI-CQSZACIVSA-N 434.430 0.628 30 20 ICED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)c1C 728557752 QYWHPXQBFWKPFY-UHFFFAOYSA-N 432.546 0.260 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 729253703 GQFXRNSBBZCFCI-SFHVURJKSA-N 438.469 0.944 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 733201680 XKZUYOYIOGYJDD-WCQYABFASA-N 428.536 0.981 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cn1 746364008 LBXVIAPKULWDKU-UHFFFAOYSA-N 434.453 0.454 30 20 ICED NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748546504 KURLNGWSZYGDNZ-INIZCTEOSA-N 433.534 0.056 30 20 ICED C[C@@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 749325939 HYKWORDCAPFFOM-CYBMUJFWSA-N 437.453 0.938 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 750843901 XUPCYPOSISKEKO-UHFFFAOYSA-N 443.529 0.614 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1 750877351 FIOCLPSMUQVVRT-UHFFFAOYSA-N 433.467 0.777 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758773407 RKAKUROZKYFGHP-INMHGKMJSA-N 434.541 0.740 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 761032854 OQQRQJMMQIXQAS-UHFFFAOYSA-N 428.942 0.262 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 762536284 LBNKNMPRTFXKPA-UHFFFAOYSA-N 430.440 0.289 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 762941764 UOTZUOPSXDSFBI-ZDUSSCGKSA-N 444.469 0.700 30 20 ICED O=C(O)CNC(=O)Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 767102271 LFIYVOLEMNLBAA-UHFFFAOYSA-N 430.442 0.107 30 20 ICED CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 768346691 NYOOOXXIJPBNTE-HAVVHWLPSA-N 449.533 0.423 30 20 ICED COCCCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 770174263 LDYJSVUASBJNAO-SILNSSARSA-N 446.551 0.394 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 771284035 KAQIDGZLZNHTHY-RYUDHWBXSA-N 425.413 0.284 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 771436284 JJKMIHKLSDBHBL-RTWAWAEBSA-N 428.445 0.814 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)c1cc[nH]n1 772434186 ROHGTVDLCPEHQJ-UHFFFAOYSA-N 427.417 0.448 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1)[C@@H]1CCCO1 773800182 UDGXLSMPQKIPEU-DQYPLSBCSA-N 433.436 0.743 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 783014524 VFILOMMCKHOQJF-UHFFFAOYSA-N 426.520 0.175 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cnc2[nH]nnc2c1 783085255 ZCFQZCDIKCRQQY-UHFFFAOYSA-N 433.384 0.890 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1C#N 783471103 XSFYCOXWTBUPMM-UHFFFAOYSA-N 433.465 0.218 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 785966772 LYAMVUCDTMPFMF-RBUKOAKNSA-N 433.530 0.561 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 787776293 HEPNLFIWYFHDPK-PXNSSMCTSA-N 436.516 0.887 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)C1=O 798466316 URESZEXXROTXLJ-KRWDZBQOSA-N 430.548 0.908 30 20 ICED N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 803832383 AERBHGMGQXITTJ-CQSZACIVSA-N 425.894 0.700 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)Cc2nc3ncccn3n2)cc1Br 809124579 KJTQTHIPNNQIQQ-UHFFFAOYSA-N 439.226 0.945 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCNC(=O)CC1 815926355 LUJBUHDIQLFYDG-CQSZACIVSA-N 426.429 0.826 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 916870910 OROQLGPUCVZRBX-HNNXBMFYSA-N 439.490 0.191 30 20 ICED CC(C)NC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916945315 MCNRFSDKUHNSBP-KRWDZBQOSA-N 434.518 0.533 30 20 ICED CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297793428 PUFFJEVZBWVLIS-RKXCMPKHSA-N 442.549 0.871 30 20 ICED C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1nccs1 1303689892 WFKSYLDOTNQZRQ-UPJWGTAASA-N 425.540 0.877 30 20 ICED Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1542050152 KQXLOXLFWAXYLK-YPMHNXCESA-N 425.540 0.739 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 1557462764 ZJNJIZMCFZNRBM-WBVHZDCISA-N 427.548 0.920 30 20 ICED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1692701749 YPXOGHAXHZDNEM-MRXNPFEDSA-N 430.534 0.772 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1730409265 ZKGWIHBFXOMSHQ-OWCLPIDISA-N 427.465 0.706 30 20 ICED COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1730726309 LNZGVCZZCHYGEM-LJQANCHMSA-N 438.536 0.999 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1766249591 IREZDXSJCXLSPY-QGZVFWFLSA-N 445.549 0.861 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1769302922 UPOJYAMGXZGYHQ-MRXNPFEDSA-N 445.549 0.671 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1769516379 LJULRHMYABIIRG-RXVVDRJESA-N 429.477 0.732 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1777983394 IOKJRVKEPXDPCG-DNVFCKCGSA-N 426.517 0.999 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778779326 NGWZXECJXJXWMB-VGOFRKELSA-N 449.552 0.624 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779018622 CUBACXMBMYRIPM-CCULFSDZSA-N 426.481 0.040 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779103300 RSUVIDXHOFYVTN-UZWDYZERSA-N 442.476 0.702 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1779270502 BFCRBPYCBKJTPN-SQGPQFPESA-N 443.481 0.994 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779396285 XMPAFCIPSSTCTO-YCRNBWNJSA-N 445.560 0.725 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)n1 1779421365 JGDSHXJGEVPOJZ-YVTMVBNISA-N 434.497 0.472 30 20 ICED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)C(=O)O 1780192448 KYTTWYDHLKQVKF-HXUWFJFHSA-N 448.863 0.198 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780697049 VJZPXODALKRRSY-QHCPKHFHSA-N 439.516 0.166 30 20 ICED CC(C)n1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1C(=O)O 1782010662 HLEZQAHJASHHKE-IIBYNOLFSA-N 446.460 0.378 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1783768539 HBELVDUAPDTVED-WHSLLNHNSA-N 438.525 0.420 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1783771259 PJNMGMSHWARXAJ-VGSWGCGISA-N 436.553 0.847 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nc(C)cc3C)[C@H]2C1 1785340890 ZAKIMABSZZOHCK-FHWLQOOXSA-N 432.521 0.989 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1785725478 VAEONINHWBJMIH-JPYJTQIMSA-N 447.532 0.866 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1787411547 RKXISCLEPCKART-VJANTYMQSA-N 427.505 0.793 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1788249945 HBEUGDXARQLKAF-IUUWJXCHSA-N 449.548 0.607 30 20 ICED 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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)CC2)C3)C1 1799197389 LWOOLBHGIMTQJG-NNXHMXCWSA-N 448.520 0.108 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1 1799745364 AMUHGYBMJXQOBF-DPIQGUFMSA-N 427.392 0.416 30 20 ICED C[C@@H]1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN1C(=O)OC(C)(C)C 1800778597 JCDXHGPCOWTVLW-MZZPOWALSA-N 449.504 0.310 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1801595221 DJSXXLMWTDFMBL-WOALTGMDSA-N 425.551 0.920 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993363 RFJGCQBNKSHDFE-FZKCQIBNSA-N 431.489 0.970 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1803550629 PPQMNIQJNMIANL-YUVXSKOASA-N 441.576 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807049467 YTJXAKNGYXUDRG-ABSDTBQOSA-N 445.520 0.190 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3snnc3c2)[C@@H]1c1cccnc1 1812877519 KCAXFPLAZRFIOZ-SCLBCKFNSA-N 436.453 0.889 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)CCC1 1814051160 LYTYMSFSKLAZPO-PBHICJAKSA-N 447.459 0.221 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814473669 DKFVTUKEAAQIRW-NWDGAFQWSA-N 439.501 0.967 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC)NC(N)=O)n[nH]1 1817988892 YYVOTGDNMDNEHE-DQOKEGCPSA-N 431.497 0.707 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612658 WPVCODCSILGPSL-YCPHGPKFSA-N 432.546 0.477 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)cc1 1829903629 ACJXIRPUWFRARP-QHCPKHFHSA-N 436.468 0.972 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1830634392 CMMHABKKMRMVHI-LAUBAEHRSA-N 442.578 0.892 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831424099 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1835672347 ABZOPQVKCWNABE-QFIPXVFZSA-N 447.511 0.881 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)ccc1F 1836350539 DPIJFNOTQKIYJA-FQEVSTJZSA-N 428.424 0.128 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837488967 WGVSEMLRYMYLAV-HSZRJFAPSA-N 443.500 0.556 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)co1 1837525571 XOFAGVORSNRADB-JAQBMENVSA-N 436.465 0.582 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949718 TUYOKINKBQYJLU-VLIAUNLRSA-N 449.464 0.046 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838385368 RPVNXOIJTDIQBN-IBGZPJMESA-N 446.548 0.815 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(-c3ccncn3)noc1C)CCO2 1838494337 WZCYDCARVOLRKX-JOCHJYFZSA-N 439.472 0.923 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1C 1838907579 AHGBYOALDWCSMU-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839030215 DTODRENQAAWTKK-VBKZILBWSA-N 439.509 0.929 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cn1 1839419954 DUYMKIUCXKJYJM-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1840162543 ZTGCQTBQSAPEMH-HKZYLEAXSA-N 449.529 0.794 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840293814 WSQRAZHEIVEVCC-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648039 SFCZOHPDJVTLGT-WZONZLPQSA-N 445.516 0.429 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840818114 KUQLNNHRZYUGEN-QHCPKHFHSA-N 442.516 0.489 30 20 ICED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)cc1 1842562198 BVPVXOFXWMOHAD-UHFFFAOYSA-N 432.484 0.948 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1)C(C)(C)S 1843350480 WJSFBCOCWFRHBV-QWHCGFSZSA-N 429.587 0.078 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847239279 HHDFLODIKWOESR-DUQZYUJVSA-N 449.504 0.284 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C(=O)NCc3ccco3)CC2)o1 29719969 QZXUTHTVWOSFKT-GOSISDBHSA-N 426.477 0.877 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(C1CC1)S(=O)(=O)N(CC)C[C@H](C)C#N 410128648 UIVQUBUTOVZGRW-HZPDHXFCSA-N 448.615 0.493 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CCO1 410147036 GQURHPQVJXDUQV-WOJBJXKFSA-N 428.514 0.973 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCN1c1nccn2cnnc12 433491105 LOXWAFHLCMXKIO-GFCCVEGCSA-N 428.434 0.804 30 20 ICED Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 440227083 LFIJNRLRYQQVRG-UHFFFAOYSA-N 430.472 1.189 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCOC1 441967135 RUBJVTYSFIVSNB-HNNXBMFYSA-N 447.944 0.865 30 20 ICED C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 444215671 BMPVMQBVUXRBSX-INIZCTEOSA-N 435.502 0.435 30 20 ICED Cc1c(NC(=O)CSCC(=O)N2CCOC[C@@H]2C#N)c(=O)n(-c2ccccc2)n1C 464801765 JDYXZAGDLMBJIH-INIZCTEOSA-N 429.502 0.907 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 472387464 MZVAZDSTHHBYIW-JLTOFOAXSA-N 425.470 0.818 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 472387467 MZVAZDSTHHBYIW-XOBRGWDASA-N 425.470 0.818 30 20 ICED CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)cn2)CC1 476010270 NRRUOTPMLBQWGU-FQEVSTJZSA-N 449.515 0.658 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@]3(C#N)CCOC3)CC2)c1 478657457 PXLNKTPIDOSNCV-NRFANRHFSA-N 448.545 0.715 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 479892210 XGPBRIPJJLYSQF-QFIPXVFZSA-N 443.573 0.531 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480287784 MBRRGIUWMLYDMU-AWEZNQCLSA-N 428.470 0.636 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 481983688 RYXOPPWKLJWYQG-UHFFFAOYSA-N 428.539 0.861 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 482226933 ZJOCHUJXBOFNTN-UHFFFAOYSA-N 436.534 0.873 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1O 488186659 SLAITYAOSUUYMJ-YOEHRIQHSA-N 447.513 0.907 30 20 ICED CCc1nc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 502123615 MDTYFJPLWJLYHZ-UHFFFAOYSA-N 447.546 0.513 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 505662391 MFILWSLOXSNUJZ-HZPDHXFCSA-N 442.541 0.487 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 508913559 PMHOPOBWUYEIHV-UHFFFAOYSA-N 439.586 0.845 30 20 ICED C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508914768 UNLPHDFSTHVMFE-UHFFFAOYSA-N 447.301 0.557 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508957469 ZXWDKDSTKMFKQP-SJORKVTESA-N 443.570 0.819 30 20 ICED CO[C@@H]1[C@H]2C[C@@H]3CN(CC(=O)N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)[C@H]1[C@H]3C2 511680976 JWBHKJBCIHXOIG-DBQOQBPJSA-N 444.557 0.746 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 526038127 HKJOGXGSXNCISM-MRXNPFEDSA-N 441.509 0.040 30 20 ICED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)n(CCC#N)n1 532610818 WPAHXZAFHNHWAO-UHFFFAOYSA-N 438.492 0.294 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 532901828 ISIPZPSLUZZFKS-OAHLLOKOSA-N 435.550 0.993 30 20 ICED CCC(CC)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 549172819 OMLLLCQFJOCIGV-UHFFFAOYSA-N 436.534 0.713 30 20 ICED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549860875 CSAXTBSIHOZRIF-UHFFFAOYSA-N 449.519 0.939 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c2ccccc2O1 551192742 UODAWOAEPMIRHE-IBGZPJMESA-N 434.456 0.142 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)n1 554354674 MOBCXRHADAGCTO-RBUKOAKNSA-N 426.521 0.361 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCC(C#N)(c5ccccn5)CC4)CC3)ncnc21 554566091 LDFOIJNZNITLQS-UHFFFAOYSA-N 445.531 0.964 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 557673681 QXINXIJSNCKNDV-SWLSCSKDSA-N 434.440 0.604 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 558982458 OSZHLSUUTSIPPE-INIZCTEOSA-N 439.586 0.209 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 572795673 ICCOQVQDEKNJLY-IBGZPJMESA-N 432.484 0.914 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 576236932 MZYZESGWGCENQQ-HNNXBMFYSA-N 429.564 0.895 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)s1 583746466 UBOABFBFZMXFPC-UHFFFAOYSA-N 443.481 0.990 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1cccc(C#N)c1 587665024 MESIGVZPBLFKAA-KRWDZBQOSA-N 449.515 0.711 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 590419105 CAIRPSSICPUNRF-ZDUSSCGKSA-N 434.478 0.370 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)s2)c1=O 590983790 GERNPPMPBKOROS-UHFFFAOYSA-N 440.344 0.633 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1F 603800967 XUKUVGPHWHROIS-UHFFFAOYSA-N 436.468 0.795 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(N)=O 608911907 MYYUBNZDALXDFK-UHFFFAOYSA-N 428.514 0.213 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)nc1 608989983 BFPJAGKNRXMZOK-SFHVURJKSA-N 426.521 0.219 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)nc1 608991592 JCEDZXRYUZSWPT-UHFFFAOYSA-N 439.520 0.398 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)NC1CCC(Oc3ccccc3C#N)CC1)c(=O)n2C 609509185 QWYNSTJRWULQCI-UHFFFAOYSA-N 436.472 0.812 30 20 ICED N#CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 611644612 PZXSAPPWIYOUQA-LRDDRELGSA-N 447.344 0.785 30 20 ICED COc1ccc(NC(=O)CN2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615642696 ZWJYPTMYYCWVOL-GOSISDBHSA-N 426.470 0.592 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 728572379 BJBAIGJTQOVKAE-HSZRJFAPSA-N 428.533 0.638 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(I)c2)CC1 728573275 MYLAVVDICDQFCT-UHFFFAOYSA-N 440.285 0.597 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732420371 ZUWCNUWONUCEQJ-VHEBQXMUSA-N 429.433 0.166 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CCN1C1CC1 732707332 XVLOIQPEDJGMGM-OAHLLOKOSA-N 435.481 0.503 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNc1nccc(C(F)(F)F)n1 737934795 NWOKBRJLWKAIKY-UHFFFAOYSA-N 428.396 0.762 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cn1 743725078 CASNCUWIVPGAMU-UHFFFAOYSA-N 435.509 0.524 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 749743381 LMOQFKFVGHCGAE-IHLBYEDJSA-N 447.517 0.317 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 750515908 KADXLTUCSNBYDA-AWEZNQCLSA-N 442.563 0.436 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)C(=O)NC)cn1 751921871 AVKHXDYJDMNSLL-YPMHNXCESA-N 430.494 0.788 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)OCCCO2)cc1 754040117 NVQYGBPQTQNHPN-CJLVFECKSA-N 438.506 0.707 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 756884511 WTNVCUNNKRBPLA-DZGCQCFKSA-N 447.517 0.990 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 762946022 WCVHDHUPDGSGED-QWHCGFSZSA-N 444.469 0.894 30 20 ICED CO[C@@]1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCOC1 764455375 ZNFMGJHYILGQKB-NDWLXSOOSA-N 438.506 0.360 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 767627036 KCKJINVVPHGKIC-AWEZNQCLSA-N 426.454 0.956 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771438559 IUVGIQIYASCUJY-ZSEKCTLFSA-N 446.460 0.714 30 20 ICED N#Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 780295446 VXWOPCNWEBUQED-UHFFFAOYSA-N 429.506 0.299 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 783357558 IBFBMIBQQLWMBJ-OAHLLOKOSA-N 427.436 0.817 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 783479964 NQUYSAKSFWIJQP-OAHLLOKOSA-N 432.458 0.714 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)nn1CCC#N 785222578 HLJPPDQGTDSHMW-OAHLLOKOSA-N 433.513 0.711 30 20 ICED C#CCNc1nc(NCC2(N(C)C)CCOCC2)nc(NCC2(N(C)C)CCOCC2)n1 804458965 PIPVXIMLDKPFKL-UHFFFAOYSA-N 446.600 0.962 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c(C(F)F)n1 812279302 OHTNMPWSDZJDPL-UHFFFAOYSA-N 443.435 0.452 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 814180373 IJRGNGYNVSKPBS-MOPGFXCFSA-N 443.548 0.789 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 816715942 PAECUISNJHEVBB-UHFFFAOYSA-N 435.549 0.034 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 831243814 OOTCKCCESHKFQY-UHFFFAOYSA-N 444.425 0.766 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 916868484 QPGWTVONMHXGDB-MRXNPFEDSA-N 440.522 0.944 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 918803761 CVBCLYGSBAAUQU-CRAIPNDOSA-N 425.507 0.637 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1116489059 WNLUBZDTFLAIBN-FOIQADDNSA-N 449.533 0.992 30 20 ICED CN1CCN(Cc2cccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 1117675329 FSSYLWAEPCMFMB-UHFFFAOYSA-N 441.557 0.900 30 20 ICED COc1ccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)cc1 1467575546 KTDJQKPVKDGMGM-SFHVURJKSA-N 426.477 0.965 30 20 ICED CN(C)c1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1503393571 YHVUWZRXBQFSMC-GJZGRUSLSA-N 431.522 0.418 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCOC2)C1 1519564113 QSZXPMMHZLSNAT-RVKKMQEKSA-N 442.517 0.480 30 20 ICED CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541943064 PEMKELFGZUZTJU-WBVHZDCISA-N 438.602 0.405 30 20 ICED O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1636837692 RXHMORAMKXZRFT-ZDUSSCGKSA-N 428.461 0.878 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1690994087 VPTMFKHYMCYMOI-HUUCEWRRSA-N 425.559 0.887 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1692792277 DAPUGTBWOQVPQI-DYVFJYSZSA-N 448.528 0.647 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1710347989 VOOLVOGRFOMCFF-QGZVFWFLSA-N 441.521 0.626 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749772946 MCFIIPCDOJPCMO-FQEVSTJZSA-N 425.537 0.916 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1766245575 ZCTUSLUNICWSEO-UHFFFAOYSA-N 425.493 0.638 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1771529238 JTPMRIZYNSNMLI-QMTHXVAHSA-N 438.407 0.301 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778180886 JTVFMCHDFBVGLD-MHECFPHRSA-N 439.512 0.901 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779016660 ZEEIGJQLJBGESV-AOMKIAJQSA-N 449.504 0.694 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779018617 CCRPDWZOLWPCPX-GWJNGDFSSA-N 425.493 0.645 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780596634 DJDOSYJSCZFLIL-QHCPKHFHSA-N 439.516 0.166 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1780807024 GYYNDLWIZHASKK-LXDRIQHSSA-N 441.525 0.917 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(=O)OC)nc1)CCO2 1781268329 NTBLKNKZZCJYMP-QFIPXVFZSA-N 445.472 0.821 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(Cl)c1 1781967631 PKBFHNHKODVRTC-NRFANRHFSA-N 432.908 0.987 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782054642 FILIAPWEUPHBLK-IERDGZPVSA-N 448.545 0.638 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783559129 WSMMINMAOHZLDE-UJUVCNOISA-N 447.488 0.304 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783890321 XXRZSZHOXUQDKB-AUSJPIAWSA-N 443.566 0.771 30 20 ICED C=CC[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 1784784417 MRMAHWNTNXDACF-NXOAAHMSSA-N 449.504 0.524 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1784786542 ZJWKARRDXAWYIE-XSLAGTTESA-N 438.569 0.997 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)c(O)n1 1785773626 VKWLTVFAKTUIIC-OWQGQXMQSA-N 441.488 0.375 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)N1 1786569080 KOJAEZLPBYIUFE-WNHJNPCNSA-N 429.904 0.950 30 20 ICED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)n1 1787053737 GNGKGVHFNYMLEC-LNLFQRSKSA-N 439.472 0.851 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787498490 OJWDNCCGQIMNQC-YYFQZIEXSA-N 433.534 0.462 30 20 ICED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)C(F)(F)F 1788602285 XFDUOVLHUDKQBS-BSECGTPYSA-N 434.459 0.751 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1788661191 FMRWJTPGPYLIOZ-NGISKEPMSA-N 436.509 0.021 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c1 1789255802 IIFGUJFNRXZPHO-FZDIXFNVSA-N 426.473 0.439 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 1789344832 IALNBOLERIRTBI-BXWFABGCSA-N 426.477 0.636 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1789891330 ODLJSYVTUCJRIQ-BZSNNMDCSA-N 441.488 0.832 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1792493015 YFKBNPCLPXSZQK-IZZQQSIFSA-N 441.594 0.994 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)cc1 1795420636 PUJOODIKJZEMOY-UPHUGPLXSA-N 433.530 0.916 30 20 ICED O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795795577 NUEOJIWAFSDENH-GEOOHVNFSA-N 434.468 0.882 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886476 DVIBBNUZSVLYPA-YVSFHVDLSA-N 427.567 0.623 30 20 ICED NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)c1ccccc1 1797740958 JASXPOGZCKUOHC-QUEUFTFXSA-N 427.549 0.790 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797815138 JWHXKKLGJGODHZ-CXNANISJSA-N 432.477 0.817 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)cc1 1798096468 LFGJXYOKXOZJJC-CWPLJXCYSA-N 435.440 0.492 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ccccc1C(=O)OCCO 1798566706 XVHCONJIOIHBAD-UPHUGPLXSA-N 426.469 0.452 30 20 ICED C#CC(=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 1800452282 VLGSJOZAFJYGTN-NRUGXNMXSA-N 435.521 0.529 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1OCC1CC1 1800779817 XHCLARLBADBDPJ-FAQVEIGNSA-N 442.468 0.775 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c3ccc(F)cc13)C2 1800781210 OUFKBUZZDDGZPD-YEZVWNJWSA-N 427.432 0.917 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985416 VENDZDBPSDGGDP-CUSZFKRNSA-N 425.489 0.483 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801990230 SHLGJCLXPQOIAA-YYIAUSFCSA-N 449.504 0.739 30 20 ICED 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 1802293981 DDKUDFYZJWTDPC-RODWMJHOSA-N 440.591 0.123 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1803039175 MJZNWNHFAZJAEJ-SOLBZPMBSA-N 431.493 0.887 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1803551748 BIBAIWMOEGNXMQ-XGXHKWSGSA-N 433.530 0.703 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CSCC(=O)OC)CC2)C1 1804851565 ZHXQNXCCXPYIRV-WAYWQWQTSA-N 437.562 0.982 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2)C(=O)O 1815079950 BLVHESQICGRTJL-QIWKNZLWSA-N 433.490 0.830 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819904751 IJXJVFZQWQUMCS-HCWUMSGPSA-N 446.489 0.981 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819906247 CZVUSOWJYNOCAQ-KAJOXZPYSA-N 437.522 0.307 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499605 OTKFRLOSQLXYGT-LLVKDONJSA-N 435.487 0.350 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncc(S(C)(=O)=O)c4)C3)C2)C1 1829663982 RNHGDOJNSUQGJJ-OAQYLSRUSA-N 449.529 0.521 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)cc1 1829715184 SBLHVVWLBDJTBS-QFIPXVFZSA-N 444.557 0.677 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898908 MPVVXSIZPTYAMY-REWPJTCUSA-N 429.517 0.964 30 20 ICED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831023088 OLBMXJJQYKLMFL-QFIPXVFZSA-N 431.489 0.566 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831485215 RTBQSJSSCGFOJA-SJLPKXTDSA-N 441.510 0.202 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nc3F)CCO2)C1 1833262800 VZLBCVFLZDMZRJ-JLTOFOAXSA-N 439.871 0.982 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1833489433 YGIDIDBXQTYORL-GOSISDBHSA-N 426.583 0.965 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccn4)CCO3)C2)c1 1833978777 OXLWRAFJQAUPPX-OAQYLSRUSA-N 425.420 0.871 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cncnc5)CCO4)C3)c2c1 1834308164 WBGGOQZQKFHIGL-QFIPXVFZSA-N 447.455 0.608 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cocn2)CCO3)ccc1F 1834510138 AFTHWUIHZAHANP-NRFANRHFSA-N 428.420 0.998 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1835261218 JQVKQGZOXIFGBR-IERDGZPVSA-N 449.529 0.428 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836109827 MMJZKWXUOXOZMG-IBGZPJMESA-N 438.575 0.944 30 20 ICED Cc1cc2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)[nH]c2cc1C 1837346914 HGGVKJKMXXECCT-QFIPXVFZSA-N 440.456 0.338 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1837391710 UHQQXGDTGFTSEC-ORAYPTAESA-N 439.538 0.223 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1837394479 CAGSJKRVDLVMEQ-HRAATJIYSA-N 436.509 0.384 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)on1 1837441042 OHTPRSVMXVPOLZ-UKKLRFBMSA-N 433.509 0.454 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527072 XFGRKNYGDAHCHO-NSDLYDKDSA-N 439.509 0.563 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967408 GEHOGYPUIXAPAX-CIAFOILYSA-N 429.481 0.384 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c1 1838580426 ANQRZYUSGLFURX-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951313 KDGCKTUCPJTVMA-VGSWGCGISA-N 438.488 0.556 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839227864 MAXTZFYFEVHERR-ZHRRBRCNSA-N 447.536 0.780 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)cc1O 1839361462 MKBDAUMKABAUTA-JOCHJYFZSA-N 439.472 0.576 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ccoc4cn3)CCO2)C1 1839483912 WTNIRAMVMTVGDT-AOMKIAJQSA-N 427.457 0.936 30 20 ICED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840818556 JCOZWQVMSIAGOM-QHCPKHFHSA-N 443.500 0.820 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2ccccc2n(C)c1=O 1847261640 AVBJQAIFDVKJQE-VTFYZGIISA-N 435.484 0.607 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCN(S(C)(=O)=O)CC1 24925146 MWAAYKWLRFPBED-UHFFFAOYSA-N 425.555 0.919 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1=O 443303430 RVCGKIRUWMLRCW-LBPRGKRZSA-N 442.350 0.676 30 20 ICED CCCc1c(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)cnn1-c1cccc(C#N)c1 443685750 CXIJHSNMPUMIQI-MRXNPFEDSA-N 445.501 0.565 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 460657060 PLUQTBFFHWZKTG-UHFFFAOYSA-N 429.440 0.988 30 20 ICED C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 467476302 SKZRMQLZNMJCPL-GEEKYZPCSA-N 438.496 0.663 30 20 ICED Cc1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 467603548 YMGTVNUSIZDFGB-OLRZCDJHSA-N 435.531 0.476 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 467642596 YIRXXHWMFJVLBY-UHFFFAOYSA-N 435.488 0.741 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)n1 472158657 PXXOYBUIGDJVRE-VQTJNVASSA-N 440.548 0.527 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 474364551 YWKIDFITUSMMFN-UHFFFAOYSA-N 434.525 0.944 30 20 ICED CN(CC(=O)NCCN1C(=O)NC2(CCCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 479413232 AIJGQZNAZLMCNO-UHFFFAOYSA-N 433.490 0.160 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 480187818 CJGXMIHJXLDCJR-UKRRQHHQSA-N 428.536 0.155 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 480938908 RLEMRSXAWYXSMG-CZUORRHYSA-N 434.460 0.841 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 482834983 CFACNIVQHQPUDH-GIVGJKMXSA-N 442.497 0.148 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CC2)nc1 483740345 DPINVPGLLHBCNV-UHFFFAOYSA-N 448.439 0.130 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 488980837 LSJDZHBXWQJMEH-CQSZACIVSA-N 436.493 0.750 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(SC)cc3)c(=O)n2C)CC1 489168741 DLTSHCWISLNXJC-UHFFFAOYSA-N 428.583 0.836 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O 499942131 XETQJQVAQHIWDB-WBVHZDCISA-N 425.576 0.983 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504700233 XUALOUJWONHJEW-IAGOWNOFSA-N 447.517 0.694 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513269248 SVYICTJOOGJXPM-GFCCVEGCSA-N 434.453 0.362 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 518180144 BWUZJHQYDSABHD-UHFFFAOYSA-N 442.563 0.731 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533514755 KSEYOZMYCJYLIA-HXUWFJFHSA-N 449.533 0.378 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 534141792 WNNFLNFXEPWXNO-UHFFFAOYSA-N 448.505 0.208 30 20 ICED N#CCCCOc1cccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 536681785 ZFQRGBBQEGGYRK-LJQANCHMSA-N 434.562 0.790 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 545892397 NMERHQJLVMGEES-CABCVRRESA-N 430.490 0.858 30 20 ICED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549656771 QIUYWUKFWHCSHS-UHFFFAOYSA-N 439.520 0.347 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CC[C@@H](CO)O3)nnc12 557130194 KVBNNHCPZKTVTA-KGLIPLIRSA-N 429.502 0.978 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 564068565 VZMQUUXOCWLEFM-GOSISDBHSA-N 433.472 0.309 30 20 ICED C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569045633 OSXTURJPOGQXKZ-UZLBHIALSA-N 425.533 0.964 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 569412956 RQEFXNIQCRWFKV-IBGZPJMESA-N 441.513 0.925 30 20 ICED Cc1ccc(NC(=O)[C@H](C)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 611175495 GPPLHNOWKIPUFD-SFHVURJKSA-N 449.577 0.874 30 20 ICED N#Cc1cnn(CCOC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c1N 729810925 JWHLGEHNRNRDQM-UHFFFAOYSA-N 427.533 0.993 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 747278803 QPHOKAWILYRGAR-UHFFFAOYSA-N 438.937 0.671 30 20 ICED C#CCNC(=O)C1CCN([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 747818258 KVXRYIONZJDNLT-LJQANCHMSA-N 426.561 0.985 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 749006571 WMNSGKJUSHYULS-MRXNPFEDSA-N 437.474 0.324 30 20 ICED Cn1cc(/C=C2\C(=O)/C(=C/c3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C2CC2)c(=O)n(C)c1=O 749006597 YRCQNMMFUJOZOJ-VCCDTYFXSA-N 438.484 0.338 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCC(C(N)=O)CC2)c1 749706250 YRTIZXFZDACBPC-JJIBRWJFSA-N 449.533 0.598 30 20 ICED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 754803359 KTKRLOZKQIQBLK-AWEZNQCLSA-N 438.444 0.312 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 756894097 LNVBRELFVJURQK-LZPFBYMJSA-N 432.477 0.414 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCS(C)(=O)=O 761855510 OGXVTTPBWBLSDR-AWEZNQCLSA-N 433.555 0.776 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2-c2cccs2)c1=O 769647478 OZBZBYIREZHESY-UHFFFAOYSA-N 435.534 0.787 30 20 ICED C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 770909028 NAMJSKFAGVGPFC-MRXNPFEDSA-N 430.845 0.996 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccccc1CN1C(=O)CCC1=O)c1cc[nH]n1 772145834 KWXMKPDGUXDENX-UHFFFAOYSA-N 427.417 0.981 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1)c1cc[nH]n1 772434254 NRLJKJSTDSLSPK-OAHLLOKOSA-N 429.481 0.868 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 779954152 NKVWVRXECXWVCX-KRWDZBQOSA-N 435.506 0.662 30 20 ICED C=CCOCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 780041517 FFOXIJLHBAVSAW-UHFFFAOYSA-N 435.524 0.293 30 20 ICED C[C@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCC1 787608320 HQDKSHHODCOJKB-ZDUSSCGKSA-N 436.490 0.161 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2nnnn2C2CC2)cc1 792470431 WHFNZYJLNMZWOF-GFCCVEGCSA-N 433.494 0.630 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c(=O)n(C)c1=O 795815294 AQZHJKRSLSFWGT-INIZCTEOSA-N 437.456 0.765 30 20 ICED COCCN1C[C@H](C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 809125216 JABZQYREZCLZEN-SNVBAGLBSA-N 448.270 0.760 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1Cc1ccon1 812279915 WLHIIESIZZJURM-UHFFFAOYSA-N 448.455 0.645 30 20 ICED CCc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C)c3)c2=O)c1 839361977 ODEXYJIKKVJJEH-UHFFFAOYSA-N 437.525 0.461 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 916177225 RJTMKXGYVVRZDK-LJQANCHMSA-N 430.417 0.969 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2ccncc2)CC1 917168324 KHJPFWKPUQNYAR-UHFFFAOYSA-N 441.513 0.931 30 20 ICED N#CCCN1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1225031180 NYXSMWWGANYRHZ-SFHVURJKSA-N 435.550 0.885 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCN(C)C1 1287218411 XHQCIGSMDNPJGD-KKSFZXQISA-N 425.541 0.845 30 20 ICED Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cc(C#N)ccn3)CC2)c1=S 1317758793 KITNYDDPPSNPIA-INIZCTEOSA-N 447.590 0.975 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)[C@H](C#N)C1 1320260401 VAGASRBUIRJVDA-NVXWUHKLSA-N 437.518 0.870 30 20 ICED CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1496290066 ZBJVVZMMFZRGPN-FUHWJXTLSA-N 442.568 0.882 30 20 ICED N#CCC1(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1663184299 YDKLRONNVDHXIC-UHFFFAOYSA-N 427.504 0.444 30 20 ICED Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1729605230 PCIRCCCZEWHKGS-UHFFFAOYSA-N 435.492 0.816 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1730762897 NUOCGGGSWRRWIO-IAGOWNOFSA-N 440.570 0.267 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1741919989 FHCKHQBSNKLYNH-KBXCAEBGSA-N 425.559 0.085 30 20 ICED CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1750983643 YXXSMJFZDPUUKT-CABCVRRESA-N 441.558 0.264 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1761502558 PRYPJKCJCMKDEZ-WMLDXEAASA-N 446.533 0.795 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1766369616 OMISQRHUXLZCBN-UHFFFAOYSA-N 425.493 0.590 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779064432 LFWWMPHBZNFZQL-QHCPKHFHSA-N 437.500 0.871 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069786 YGRYGDOPFKYYFA-QHCPKHFHSA-N 427.501 0.736 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102265 GBMCRBLUVDLREP-CMKJNKEVSA-N 446.508 0.636 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102357 HAEUJXIUPAQTEA-IYIIOPIMSA-N 434.497 0.273 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1779183818 OGWJVSSQSAPFJH-JXALWOEJSA-N 440.544 0.606 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779432204 SKJGQYLXGJJBCP-AQOAWAETSA-N 446.504 0.265 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779433987 WVOFQGCUHURXHF-RADWXHQJSA-N 448.520 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)C=C)C1 1779528886 ULGVYIIFXIZWDW-PCJCISNBSA-N 432.521 0.049 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1780334687 MXXDNNRLZJSYOQ-HXUWFJFHSA-N 426.433 0.655 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697612 OSLBJENMCBEIRX-DENIHFKCSA-N 443.456 0.497 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780907116 JSAFXWKVPUFUNK-ITSWEJNFSA-N 445.491 0.871 30 20 ICED CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1781763902 GTFNIVBKYGYIME-DENIHFKCSA-N 430.480 0.890 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1783566936 NRLVZHFRINEPFO-QFIPXVFZSA-N 443.456 0.171 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784912034 FTZSWVHITGTUJX-CYDGBPFRSA-N 440.390 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)noc3C)[C@H]2C1 1785079600 RHXMDCHIQZMSDJ-OIMABFAESA-N 430.505 0.672 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785371572 GQHGJOITUDOGEB-VGOFRKELSA-N 435.521 0.723 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1786705496 IIMWGILXSVRXQB-BPUTZDHNSA-N 431.518 0.175 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1786843935 IUIQWODOYAOWAX-NXOAAHMSSA-N 449.552 0.512 30 20 ICED C=C[C@@H](O)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 1788576592 VWTILYIDNQESTF-LNXOKNDVSA-N 426.510 0.155 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1788603989 HFGOHTZSOFBXGG-UZRSVZKRSA-N 428.537 0.894 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788657577 AQDIIWAABWLRBD-DSCBYRQKSA-N 446.504 0.357 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1789894825 JSXQIQPPUAMWPY-WDSOQIARSA-N 430.505 0.898 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)c1 1790228204 GISYDGCNLCMNBD-MRHSLFKSSA-N 428.464 0.817 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)C[C@@H]21 1791076668 CKLUIVKOZYPSPG-VBOLQVBTSA-N 426.494 0.942 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1793345268 ZVUXYGWWVNUHFL-FAYQHZLMSA-N 431.880 0.624 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795320620 GEXUNDUTCLVJSW-UGNRZPKXSA-N 448.541 0.397 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)c(O)n1 1795388605 UAQBCISNGXWICU-QOIYZWAUSA-N 428.489 0.388 30 20 ICED CN1CCN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)cc2)CC1 1795416415 ORGVLGZVFZVCCY-HATOLVCRSA-N 425.533 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795836297 ZGVXJWJDIRSVAR-KQLJBOCNSA-N 431.518 0.017 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1796323533 CMNDSIMNVUFBGS-RBPQIDMKSA-N 427.505 0.964 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)c1Cl 1797803725 ORDRNTUMMBEPGM-QKSJRXBFSA-N 448.907 0.065 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798058694 NEETWHNWDRUFHV-MVJTYMMSSA-N 443.504 0.596 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)ccn1 1798122185 JMMARERTGTVZPA-NKFKEYGXSA-N 432.477 0.822 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)c1 1798485343 MIBYDTRXXJIDMG-IIZPIQPGSA-N 426.517 0.780 30 20 ICED COc1cc(N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CC2)ncn1 1801986424 CIOMDNUIPGPVSA-BJWYYQGGSA-N 441.488 0.428 30 20 ICED 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)C1 1802010160 FJMJBHHZJDDNLU-MVJTYMMSSA-N 433.505 0.472 30 20 ICED C[C@@H](S)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 1802151251 WJZHTDUYXAXVNS-UXXRCYHCSA-N 445.582 0.559 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806617325 IGQYNDXHGNXESW-OFNKIYASSA-N 430.512 0.979 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1807143926 QUUCWIGGIQWOMF-MJGOQNOKSA-N 442.520 0.821 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C#Cc3ccccc3)sc2C1 1814012698 XHVCLKBZFODCIP-CABCVRRESA-N 425.514 0.700 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819720573 IGLWRCSQKVNCHO-BXUZGUMPSA-N 432.502 0.553 30 20 ICED O=C(C#Cc1ccccc1)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819880089 JIUPGKKIUYKPJN-KKSFZXQISA-N 440.525 0.757 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)c1 1822027105 CTXSSPGZFOMKEF-CYBMUJFWSA-N 449.429 0.965 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827598078 SLRPAPOUBUQHRO-JTGQJZMRSA-N 443.504 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1831387881 SFCAAOVVTLUWAU-XOBRGWDASA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1831393012 IZJZTAZITHABTP-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831397189 VHVIMBRVBWWZQP-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4sccn34)C2)C1 1831397405 XKDVOWGFSAEIAS-HRAATJIYSA-N 446.529 0.813 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831488031 VHBHBDZUFDRBFQ-OXQOHEQNSA-N 426.583 0.679 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831497813 HKVAKXPKJVSPHB-CTNGQTDRSA-N 438.594 0.990 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831614928 ADFAIMAJNONQNQ-DGGJZMOXSA-N 442.516 0.895 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833454048 NBGBQVZNIQQBFE-GOSISDBHSA-N 443.610 0.566 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192330 FFCNBWVJAYVWQY-WCNTUGILSA-N 448.476 0.386 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2)c1cccs1 1834383646 DIYRSJISZNSRIG-YEFOHOTDSA-N 444.513 0.840 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1835677612 LSVDSVBBQDSNPT-NRFANRHFSA-N 433.484 0.573 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835678115 YTDNIVCLFVJYKZ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835680983 QSAAIXWEGWUWFF-HXUWFJFHSA-N 448.480 0.275 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nnc(Br)n3c1)CCO2 1836256426 LPTVLHXNHDIVGK-SFHVURJKSA-N 448.277 0.195 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836573680 AZAFUVRZRUXHIZ-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164467 IAGMAGIUTUXECC-KKSFZXQISA-N 429.477 0.390 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837531090 CGIYJECFKZYISP-JLELOPKESA-N 433.465 0.076 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCCN1 1837531560 PNCUCZVRCYFVFV-MBCAVVDOSA-N 438.525 0.114 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837581389 FHSOYJALTIWQJC-UHFFFAOYSA-N 427.505 0.652 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)c2n1 1838488954 DLFWBLJBMORCAG-RBZFPXEDSA-N 434.518 0.960 30 20 ICED CN(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1838493555 PUARRTOXXIAMQE-UHFFFAOYSA-N 428.489 0.848 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)o1 1838737928 FXASAJQGRKROTC-NRFANRHFSA-N 441.444 0.822 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cc3)CCO2)C1 1838961547 QDZVJGNFFXNMQU-FDDCHVKYSA-N 429.517 0.861 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1839066847 WFJWSOHHVACTTM-OIUBOPETSA-N 432.521 0.497 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546743 HOPJJSKLVCDKSW-VGOFRKELSA-N 443.504 0.699 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649363 LWQKYTZKDNZPGC-ICSRJNTNSA-N 438.550 0.526 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1839806318 JVNWCDCRFKMCFF-NRFANRHFSA-N 439.509 0.007 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840163889 RDDDYMXZJCIYQP-MGPUTAFESA-N 431.518 0.656 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203406 ZYZMXDYPJVWXGL-BEFAXECRSA-N 447.454 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COc1ccc(C(=O)OC)cc1)C2 1841056610 SLDGVNLTAQCNKV-KTKRTIGZSA-N 441.484 0.914 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845133005 QJWYFPAURQBTBK-OAHLLOKOSA-N 435.525 0.555 30 20 ICED C[C@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 22551641 IQFYOBIYBMPAHA-SFHVURJKSA-N 425.532 0.652 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 430414412 MTSSBSUVIAXVGB-DRDORILISA-N 434.581 0.923 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445196980 NYUKLZOIVPAQRZ-GDBMZVCRSA-N 431.836 0.861 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 460812821 ACYWUXPIYAPNNI-INIZCTEOSA-N 444.561 0.920 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 465262057 HKGLFEKULFLCAX-AWEZNQCLSA-N 436.476 0.696 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)C1=O 468347606 HLSLYWYVVNUYGA-UHFFFAOYSA-N 430.461 0.719 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1-n1cnnn1 488667464 QLTXWMWDANJQJJ-GOSISDBHSA-N 444.455 0.698 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1OC 489013683 ZDYJAYPMQGDDEW-CQSZACIVSA-N 444.509 0.971 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)NS(=O)(=O)N(C)[C@H](C)CC#N 509237852 JFWMHVQNBHHEDA-OAGGEKHMSA-N 436.604 0.490 30 20 ICED C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 511056221 JWUDBCWGJQMSMG-QGZVFWFLSA-N 433.578 0.711 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)CC#N 512059096 QICBHJWODMBACT-MAUKXSAKSA-N 436.534 0.880 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 516828640 WZORONDZPAXIBP-UHFFFAOYSA-N 426.542 0.442 30 20 ICED COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 518467720 GZDIGKDLXUZMLK-UHFFFAOYSA-N 435.550 0.685 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 531560836 IJNRFYMPUZDKSZ-UHFFFAOYSA-N 440.550 0.885 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532342981 DSDOLZMYQSXKLO-IBGZPJMESA-N 433.578 0.806 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 554768695 QGCDMEFGJALVTI-KXBFYZLASA-N 430.505 0.644 30 20 ICED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 558989502 VXQIDMYCYFVZCV-UHFFFAOYSA-N 447.503 0.859 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1nnnn1-c1ccccc1 559000771 FISNWYDUZKOSMC-UHFFFAOYSA-N 442.443 0.721 30 20 ICED N#Cc1ccc(Cn2cnc(=NC(=O)C(=O)N=c3ccn(Cc4ccccc4)[nH]3)[nH]2)cc1 569023675 UMIDXLHFXQHVCR-UHFFFAOYSA-N 426.440 0.864 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)CC1 579986779 FHWKEKLKXNQBFF-UHFFFAOYSA-N 441.579 0.051 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCCc4ccccc43)CC2)c1C#N 586844262 SFCZWZUBYDPUCA-UHFFFAOYSA-N 435.532 0.818 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CC(N)=O)c1=O 589159613 WEPZZGLPLKESDN-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1 606126950 XFUOROQQVSHXJZ-UHFFFAOYSA-N 436.490 0.087 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074409 BDBVGMFWZPVAHH-UHFFFAOYSA-N 435.427 0.875 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 610081863 MKYKGDHWMKPSIZ-OKILXGFUSA-N 446.526 0.358 30 20 ICED CCCCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611428979 QMWPKHCGHBDREH-LJQANCHMSA-N 446.621 0.991 30 20 ICED O=C1C[C@H](N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C(=O)N1 726943335 QHIGMLGVTQEWMX-HNNXBMFYSA-N 432.502 0.692 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1C 727008294 NLNJDOOIBKHYNC-UHFFFAOYSA-N 444.469 0.734 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 731686060 LKXMCDFOICPURK-UHFFFAOYSA-N 433.578 0.894 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 735567603 LPXXIELHZSFJGS-XEFZIOHMSA-N 437.522 0.868 30 20 ICED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1)C1(C#N)CCCCC1 745148647 IISCDPAWGPCBCH-UHFFFAOYSA-N 429.520 0.860 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)c1 752862653 XHAXUEIIGMAPMG-UHFFFAOYSA-N 442.497 0.788 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758120681 PQXKLDNFMXEHSK-INIZCTEOSA-N 427.530 0.338 30 20 ICED CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 774096159 PXPKWSPWIBQQCO-INIZCTEOSA-N 426.516 0.840 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 775795138 MFRGIJCSNWBOHT-QZTJIDSGSA-N 425.938 0.943 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 781663594 LYTKBBSVHSUJSR-UHFFFAOYSA-N 445.522 0.681 30 20 ICED C#CCn1ccc(CN(CCOC)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)n1 788694647 SNVLBSMYOJYANE-UHFFFAOYSA-N 440.547 0.273 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)cnn3C)c2=O)c1 795194869 LPQOLVCVFSMAES-UHFFFAOYSA-N 431.521 0.950 30 20 ICED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 799844110 AUNVIHVYOAJQBP-DSNNACLLSA-N 435.506 0.079 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 806786917 ZERXCIJCIFNDRR-UHFFFAOYSA-N 425.938 0.786 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809814840 CYMNWVBTZMLFNK-UHFFFAOYSA-N 435.289 0.957 30 20 ICED N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 815414747 OXCCGUTZFBCVIZ-UHFFFAOYSA-N 436.446 0.665 30 20 ICED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 853664623 RZZGQENGWOBPSH-UHFFFAOYSA-N 444.469 0.720 30 20 ICED C=CCN1C(=O)C(=O)N(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3)NC(=O)N2)C1=O 913584109 MYVDFJZPZYPYCJ-MRXNPFEDSA-N 442.428 0.843 30 20 ICED CN(C)c1ccc(C(N)=NOCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 918185213 CXITXERAXUMOOW-UHFFFAOYSA-N 445.545 0.923 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1288985931 HBKAIDLCTPXTMA-HUUCEWRRSA-N 435.554 0.641 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1296596412 WLSVBRPAIRVMON-NRFANRHFSA-N 432.525 0.919 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1298101783 NABLKGJXAQSYBX-MRXNPFEDSA-N 431.522 0.410 30 20 ICED CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1299053743 QCCICEAXIAEBDK-KBPBESRZSA-N 433.538 0.892 30 20 ICED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316067051 YLGOVQXILXLARL-ROUUACIJSA-N 430.557 0.374 30 20 ICED CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@@H](C)C#N 1460504840 BJFPJFOAKKOHHV-HNNXBMFYSA-N 428.493 0.793 30 20 ICED N#Cc1cn(CCNC(=O)c2ccccc2SCC(=O)N2CCCC2)c(=O)nc1O 1470362194 ZRLQPQOSOLDNPB-UHFFFAOYSA-N 427.486 0.965 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1503839872 RAVYCFGDKQWBJL-GASCZTMLSA-N 434.522 0.892 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 1516656983 GICDZWWJAILOBM-QGZVFWFLSA-N 434.460 0.770 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@]2(O)CCOC2)cc1 1521102161 QIAGEWNGCIBCEK-JTSKRJEESA-N 440.504 0.972 30 20 ICED N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1559974384 WDTJDWBAQCGAOC-UHFFFAOYSA-N 427.530 0.827 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 1612600068 SPCKZTKOOYCAAN-ZBFHGGJFSA-N 430.538 0.788 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@@](O)(CC#N)C2)c1OC 1639943677 YLETZVQSTAHZQV-IBGZPJMESA-N 439.490 0.215 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1682366842 JLFWLFFJVIAADL-HNNXBMFYSA-N 429.543 0.430 30 20 ICED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1697802142 IWVCYXWVNUGLLR-KSSFIOAISA-N 444.533 0.773 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710458236 TVAGXLMOWQOSKS-RTWAWAEBSA-N 449.531 0.536 30 20 ICED COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712418553 IPOKPTZZENNYJV-LJQANCHMSA-N 427.557 0.823 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1724011079 VXEYXMWFHUYOFA-AWEZNQCLSA-N 441.579 0.887 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1751209124 YGBSKNWGJOFWJK-OLZOCXBDSA-N 434.588 0.840 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1751223179 KHMIQXROTIVPAU-HNNXBMFYSA-N 447.565 0.857 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1779076546 NWYTWFJXZXFJOR-PBHICJAKSA-N 436.383 0.430 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779203781 RDENRQYIWFFCAG-NVALYEJGSA-N 442.513 0.366 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779680948 UAWAJGXAAXBCEM-SPLOXXLWSA-N 448.476 0.740 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779872643 BAXSLWSHODVHAY-QHCPKHFHSA-N 448.483 0.523 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1782010001 DGWDLHVGOPOFTB-YCRNBWNJSA-N 425.485 0.303 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1783055493 WJUDIIGTXVXPMY-RPWUZVMVSA-N 441.528 0.715 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1783166083 XNNLMOJHIXHUDV-XMSQKQJNSA-N 427.505 0.558 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783901551 RYUIKBFOVZEPJI-CJXDPKRBSA-N 443.566 0.362 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1783916407 BKSIIQWIQBIUIW-JOCHJYFZSA-N 427.505 0.428 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785545569 ZVLJZAYMNRKHJO-ACJLOTCBSA-N 442.563 0.478 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1C#N 1785631403 BNQBIYKBIGBVAT-NRFANRHFSA-N 429.477 0.457 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c1Cl 1786890497 VEFYCKRWCNIISY-HJWJTTGWSA-N 447.923 0.398 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1787410462 ANKRGGQJBVBODA-WNHJNPCNSA-N 427.505 0.907 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788564819 XESPAAKKRIPPMW-QEOTZNIISA-N 425.530 0.475 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)n4cnnn4)C[C@@H]32)c1 1789259352 LKLNGGUJLQLRET-UVDFWXMISA-N 439.476 0.408 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1789940522 APXOIMSKHSEFCY-VJANTYMQSA-N 431.533 0.286 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5ccnn5)C[C@@H]43)c2c1 1790328182 QRWBRBPFESUDOA-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791079656 XHCBDQDHCWSUNK-WOYTXXSLSA-N 449.504 0.357 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793089141 JEVHHXFGTODMHH-KPEUIFRASA-N 434.493 0.458 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(NC(C)=O)c1)C2 1793345688 ZWGNCHFKWOFTBE-WMIGDMCZSA-N 443.500 0.895 30 20 ICED 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)=O)C2 1793599938 LJFBCCIYHMDWQD-DFGXFYAUSA-N 438.525 0.182 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)CCOC1 1795411504 WIMFVVDCKUVEBM-CPBBTPEFSA-N 448.520 0.564 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)c1 1795534019 YNICCGRQDQMIKI-QFNVCVKDSA-N 427.505 0.110 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1795598937 GISYJQVFCFZRBM-IZZQQSIFSA-N 439.516 0.415 30 20 ICED O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795837363 RFLTWAZABWFDGJ-XOMSMDBKSA-N 449.533 0.687 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797644024 RSVZQQXATWIFSK-UONLAYADSA-N 443.500 0.884 30 20 ICED 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)c1ccc(OC)cc1)C2 1797703980 KGLHOSVYFBCWPD-DLRXZHIHSA-N 432.517 0.891 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c1Cl 1798634655 YHFZWMQNJQLFLR-IVWMJMPLSA-N 427.848 0.812 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnsn2)C3)c(C#N)c1 1799238514 KFLLKQBTDYJVNF-CCWDJLKJSA-N 427.486 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)o1)C2 1799304232 ZXMUANKYHDHXGN-CCWDJLKJSA-N 433.461 0.951 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1801762596 MSPNWLPNZPNINV-UEILYKACSA-N 442.472 0.060 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802681587 RXGIYQLLERDKBX-PXNSSMCTSA-N 445.520 0.868 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1803446560 PESQORCMKOZSGS-SIKLNZKXSA-N 444.557 0.231 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1803567462 VXKINQILYBYCPX-NOCIGQNYSA-N 434.493 0.743 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1804127810 JIZBQDVCGGHAOL-MUJYYYPQSA-N 447.455 0.620 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1804371128 YQIYGWNCTGPBMK-YVSFHVDLSA-N 448.520 0.993 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176373 UTYHXTFSQCVXDB-CEQIKUNHSA-N 426.473 0.604 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)c(=O)nc1O 1814035014 BMYVUTRMVXLFKW-NQIIRXRSSA-N 435.484 0.772 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232145 NHVLLMSVGGMTCL-GXTWGEPZSA-N 429.414 0.718 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1822024829 ZGANGGIKPPOJQD-ZDUSSCGKSA-N 438.469 0.792 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064234 GRSNBSMOXCINKO-QVKFZJNVSA-N 438.525 0.906 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1831399122 PKWKOUQCFIJNQJ-OSPHWJPCSA-N 440.496 0.924 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487453 DZWZJYLTPKDEKC-WOJBJXKFSA-N 439.597 0.466 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(Cl)c1 1831576721 NSHWCAFTZINBFF-OXJNMPFZSA-N 448.863 0.390 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831872288 IVKBHGHMYHYCLE-QHCPKHFHSA-N 444.532 0.497 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2)C(F)(F)F 1832167689 ZQHUSCPMVTVTKY-UONOGXRCSA-N 434.333 0.875 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CC2)CC1 1833468411 RVRHXLPCHJILLI-MTQWCTHYSA-N 430.593 0.937 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)c(C)n1)CCO2 1833687646 SZCTVBGVLDOTPA-XBKFQHLESA-N 442.516 0.627 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833993018 IJDWVHJSWDYUOY-QFIPXVFZSA-N 429.521 0.742 30 20 ICED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)N1 1835305431 BVIUEPWYJWVNBC-AMRVBLOXSA-N 447.513 0.222 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729944 QQDKHRXUCYSBRO-MQMHFVAESA-N 448.612 0.944 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c1 1836872804 NIHWAQMBVMWEQG-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837099591 ZWPKQXGGVLSMFZ-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1837311689 KSTGASFXQYNKLL-DNVCBOLYSA-N 447.454 0.890 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837489736 SMRPLZWTUULDDH-HSZRJFAPSA-N 444.532 0.347 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2)C(F)(F)F 1837648244 DTMDWDJNSOSLDQ-SUMWQHHRSA-N 431.415 0.489 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756321 YGBUAXGOZXPENO-JOCHJYFZSA-N 428.489 0.408 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838417158 GQBUPPOGACXAFZ-SGTLLEGYSA-N 438.531 0.144 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732208 GMUUBTWAUYCZSJ-NRFANRHFSA-N 426.477 0.470 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951291 JANJGJUQXKGGKG-URAOTHONSA-N 433.530 0.787 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419328 WFTCWUFKVIARFC-KNQAVFIVSA-N 446.479 0.682 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419763 UBKGKLZFGROYFF-JOCHJYFZSA-N 446.479 0.682 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1839451598 FJSVDLQSBIKWRA-XMSQKQJNSA-N 426.473 0.215 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839888533 SXQBIXFYDQZEPE-HUUCEWRRSA-N 430.370 0.968 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13CC[C@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009831 WUBGAGXYKYWRAP-PDIWNELESA-N 447.532 0.723 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814435 JAXACZKFRWXEDX-NRFANRHFSA-N 430.509 0.797 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 24977662 HLBQMBMYZSXAOD-UHFFFAOYSA-N 445.444 0.921 30 20 ICED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1C 409954146 ZRZUSVPNTOBRAK-UHFFFAOYSA-N 443.525 0.643 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCOC1 441930689 SYXNYWHFCBCJAQ-GOSISDBHSA-N 441.553 0.911 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469152432 WJXLSGXLLYSKSV-BTYIYWSLSA-N 430.461 0.972 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)CC2)c1C#N 472151798 GUIBOFLBMLIMPB-UHFFFAOYSA-N 429.569 0.828 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 477046832 HSJDHSHDPNMQAJ-UHFFFAOYSA-N 438.510 0.645 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CCN(C)CC1 478853444 KBUALHMBXJIQHB-UHFFFAOYSA-N 440.573 0.759 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1=O 481154739 MUYXOTUDLPXJRX-KRWDZBQOSA-N 444.517 0.707 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 492826752 FIBCFXPQCSPGOE-UHFFFAOYSA-N 429.502 0.840 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 508366577 FQKVGYDATZZLCT-IAGOWNOFSA-N 437.518 0.028 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CC(N)=O)c1=O 522119914 MBSUAMZWEUWXLG-UHFFFAOYSA-N 432.505 0.870 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542074452 WVTDKIGONKMLLE-LBPRGKRZSA-N 430.852 0.387 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 546905310 GBTXSOZSVQFDGW-OAHLLOKOSA-N 426.433 0.393 30 20 ICED CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 548915402 XXMRDSOQYAAJTF-HOTGVXAUSA-N 436.534 0.568 30 20 ICED CN(CC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557141833 WLMLXTVFAUHMHV-HNNXBMFYSA-N 428.536 0.109 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 564373733 ZWVRZSVPIPUCAK-IBGZPJMESA-N 448.535 0.850 30 20 ICED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572877030 IMPCJRUNRHUYIT-MJGOQNOKSA-N 425.489 0.545 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 580117906 YXAANTCJLGCAJD-SJLPKXTDSA-N 426.473 0.972 30 20 ICED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 580536482 FRJMIZDJSDIDOQ-LJQANCHMSA-N 427.442 0.293 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C2=O)cc1 588865735 HGIXLLYEEZCKPO-PMACEKPBSA-N 440.500 0.824 30 20 ICED Cc1cc(NCC2(C(N)=O)CCOCC2)c(C#N)c(NCC2(C(N)=O)CCOCC2)n1 589112944 HKKAKMMLSSXWHJ-UHFFFAOYSA-N 430.509 0.650 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c1 589371297 GEJDPVUUSWHWEZ-UHFFFAOYSA-N 439.457 0.172 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 590013990 SDLODBIDKGKRDX-UHFFFAOYSA-N 428.518 0.082 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 603553005 VRPUBMNNKPIUHW-UHFFFAOYSA-N 437.525 0.597 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 608888931 ZOBAIDLLMMYVOW-UHFFFAOYSA-N 442.497 0.830 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610290329 RBHDFPQKMRXEDG-AHCXZYCDSA-N 439.472 0.625 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOCC 725763199 FQPFOSNGBGPHGP-UHFFFAOYSA-N 431.562 0.927 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 726296692 COLLAPDAVNYKGV-UHFFFAOYSA-N 432.484 0.782 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 728932831 RHCKLDXVCACTJK-KRWDZBQOSA-N 426.521 0.579 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 729281514 FKMDGAXJBOOGKJ-GAJHUEQPSA-N 445.564 0.407 30 20 ICED CN1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 745080538 SXIFUJHJKMIRPL-KRWDZBQOSA-N 434.518 0.419 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1 746788529 DXTKZPRITULGKN-IXSYQRGLSA-N 435.506 0.223 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)C1=O 750338649 BFINQCWUPBSKRV-UHFFFAOYSA-N 445.457 0.541 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760384912 JHGBPVOEJPQFHI-UHFFFAOYSA-N 445.570 0.394 30 20 ICED CCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1N 768397521 DXHCYEJFVOKUJF-UHFFFAOYSA-N 435.535 0.051 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771077737 LLDPJXKDUHXQAK-GOSISDBHSA-N 434.474 0.602 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 771295432 XQIZZSXBMRDGCB-HNNXBMFYSA-N 439.501 0.387 30 20 ICED CCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 774771966 IPTIBYPVMVBBFM-QZTJIDSGSA-N 446.614 0.961 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCOC 777942453 YBDNMMXRUXSIDQ-UHFFFAOYSA-N 434.449 0.633 30 20 ICED C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 779153347 BPIZLLIEDASLSI-UHFFFAOYSA-N 426.970 0.962 30 20 ICED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789810050 IYRLZMCPOXUZPT-RLJBYJPOSA-N 438.506 0.094 30 20 ICED Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 790376804 ICAFPHDPRDJRFD-CABCVRRESA-N 440.526 0.483 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 791960775 RBBXBNBBSBFHKP-UHFFFAOYSA-N 436.511 0.294 30 20 ICED C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1=O 798586876 HVMMXSQKDPXMPM-GOSISDBHSA-N 437.518 0.717 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c(F)c1 802552018 KVVPQFAQHBOIFC-UHFFFAOYSA-N 431.399 0.964 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n1 806705960 CZCBHDQUEHYGIC-IMYXXEESSA-N 432.521 0.929 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 810980038 NIJGTNCPOAZRHQ-UHFFFAOYSA-N 429.520 0.820 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC(F)F)c3)c2=O)c1 814250721 XUFAWIUIGMQZER-UHFFFAOYSA-N 439.447 0.591 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1165824960 ZKJQVFQZSFDRPE-OAQYLSRUSA-N 427.461 0.931 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1286629843 OHEBSHMXXDXCDM-AWEZNQCLSA-N 447.945 0.753 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1299292806 JQXAKVHMEVJOTR-HZPDHXFCSA-N 432.506 0.467 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302496636 PCUYGPCKKZCDKP-OAHLLOKOSA-N 433.513 0.810 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1315054071 QHUDWEMHQXWGPL-INIZCTEOSA-N 432.506 0.488 30 20 ICED C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCCCC1 1320672791 CXTHHPUTYJXZNH-WBVHZDCISA-N 426.473 0.972 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452955225 OSRSHEMESDSXFR-HXUWFJFHSA-N 449.515 0.724 30 20 ICED CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)c1=O 1515786390 KDXGRWNAKXRVDP-IBGZPJMESA-N 447.499 0.998 30 20 ICED CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1541745024 YJTKPNMYAFKWEB-GOSISDBHSA-N 448.549 0.996 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)C1 1611769092 KDKJBEMAFCLLSE-FQEVSTJZSA-N 425.497 0.684 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1639194436 QHRLOIKFJSKYJQ-VFNWGFHPSA-N 426.498 0.881 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1655722362 JXBJQLAWXQANNV-ZDUSSCGKSA-N 430.280 0.763 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCN1C 1685726591 UNELJLPRWHRURR-VQIMIIECSA-N 434.566 0.208 30 20 ICED CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706642656 RQXINMDWBGBGAT-UHFFFAOYSA-N 439.524 0.534 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1761258338 PXJFJJLYMPXHDC-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1766723788 VKEGIOVHQHJXMQ-GOSISDBHSA-N 445.549 0.861 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206872 GOGTYVJTLPIXQT-UMQOZUHOSA-N 445.516 0.855 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207690 WDFUHUHYPVOWDN-ZVLBRCSDSA-N 431.489 0.873 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783617176 QRQKCIAOPUGYHH-JLHGSKIFSA-N 435.521 0.600 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c(O)n1 1784592837 GFJLKAILYWNNPK-VFNWGFHPSA-N 441.492 0.597 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383529 SLQKXWBOGJUGBT-OAQYLSRUSA-N 445.545 0.251 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C(=O)OC)(C3)C4)[C@H]2C1 1791017202 LTVTUUPDZYGWIK-CQHOLOCUSA-N 434.533 0.883 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2 1793340487 XNAMXROEBBJEAI-YCGPWUDHSA-N 428.485 0.844 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793344971 WAQFEPLTHMAWLF-JCQHHRMRSA-N 429.473 0.080 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1793352540 XFGADIYMHAKXQK-HATOLVCRSA-N 442.553 0.629 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794226220 VYQNTHRCDPMLMW-JYYAWHABSA-N 448.524 0.488 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C3)c(O)n1 1794490463 JDWIAVYDHQHGRF-AMVTXUCVSA-N 430.505 0.634 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@H]1SC(=N)NC1=O 1796423813 WKZAVXCELQWYAB-OMVTVGPASA-N 440.525 0.430 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1ccnn1 1796446757 ALFRHAZEOZJIJF-FKAVDJNCSA-N 429.502 0.929 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2nonc2c1 1796884701 RVGUMISGSURWTM-QDLITJCTSA-N 443.460 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCCO2 1796961354 DMERKJHCEUXDSO-IBRLJDPESA-N 441.484 0.519 30 20 ICED O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3CC3)C4)cc2N1 1800036715 TTWREYOPWPYXIT-CCWDJLKJSA-N 426.498 0.742 30 20 ICED 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)CCO1)C2 1800992604 QFPLZXCAFUMHRA-RBZJEDDUSA-N 443.566 0.530 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1803515436 RXGCSWCEBXPDRZ-IEBWSBKVSA-N 449.577 0.804 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807048062 NZZYIWBUBYRGOS-DUQRIUNSSA-N 443.552 0.152 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1808456030 ZYSVNPJHVBHFBG-UZLBHIALSA-N 439.472 0.994 30 20 ICED CN1CCN(CC(=O)N2CCC3(CCCN(C(=O)C(C)(C)NCCC#N)C3)CC2)CC1 1809775745 ZMEPHSXBYLZIPT-UHFFFAOYSA-N 432.613 0.747 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819448461 RTHZSRSZNKYWEO-PTSWNOGYSA-N 436.513 0.853 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1822922279 GLYFYBQXOFQDRP-GFCCVEGCSA-N 434.522 0.404 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1829773729 RZMYVSFDQMPPSA-CGYSWORWSA-N 437.562 0.444 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831425883 GLEUSDQUEOBIII-KKSFZXQISA-N 432.477 0.068 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831435128 LZEWPYIJJVSBRZ-YCRPNKLZSA-N 449.460 0.962 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1833474800 AUDYZDXQJXKICD-LJQANCHMSA-N 435.613 0.397 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657684 ICITWQWWRRSFSE-TUYSUELWSA-N 430.549 0.431 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837402027 BXYUNWIALVHKOU-SKPFHBQLSA-N 446.544 0.620 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563296 VQQLJIDGBKXECK-XZEIMLRBSA-N 429.477 0.131 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1838534088 GWJGGCYLCBTZKB-HSZRJFAPSA-N 436.468 0.641 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(-n2nccn2)c1 1838631861 XBTDPSLPBPLCMP-IERDGZPVSA-N 445.545 0.964 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1C 1838738166 UMEDNXYLLQHUPN-NRFANRHFSA-N 426.477 0.566 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1OC 1838840424 NYVWZYKFAUBJCR-NRFANRHFSA-N 430.461 0.473 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838908293 RYWVVQXXHNTPFW-NRFANRHFSA-N 427.457 0.581 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839223141 NRZXPLNFDYJORP-XOBRGWDASA-N 449.464 0.046 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839655114 FQMQTANBUBPSST-KRWDZBQOSA-N 434.509 0.138 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839844062 DDKILTZLZPPYQN-DENIHFKCSA-N 434.581 0.435 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840162300 RZDREBAIXBKMSV-BDJLRTHQSA-N 436.456 0.827 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Oc3ccccn3)CCO2)C1 1840425229 NLCONFXEBWSHEU-STSQHVNTSA-N 447.532 0.878 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCOC3)CCO4)c2c1 1840538943 YPVMGRXVYZSOBI-OPAMFIHVSA-N 439.472 0.541 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771640 IXCMFXPNCVFPIK-QHCPKHFHSA-N 439.468 0.762 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)CCC1 1840813581 HYCYKZAGBXLPIF-AVRDEDQJSA-N 427.505 0.102 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1840908482 MLDQKIBXYJNPEP-VGSWGCGISA-N 435.521 0.769 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301385 KZSBRTZIFPNZGF-IIYXNSHBSA-N 444.492 0.327 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c1C 29445918 QWCUBCCVUNDOLL-UHFFFAOYSA-N 428.518 0.978 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 410158145 DAGJUMVUJKAWEI-LSDHHAIUSA-N 430.433 0.842 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC[C@H](NS(=O)(=O)c1cccnc1C#N)C1CC1 428243088 NFTACVWVCWXIMI-HNNXBMFYSA-N 432.487 0.255 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(C)nc(C#N)c1C#N 428916578 GRLSFWDGPQGPIP-UHFFFAOYSA-N 444.473 0.603 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 435946375 YGIFQFLZFHYVBE-NXHRZFHOSA-N 440.518 0.288 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CN4CCN3CC4)nnc12 438181844 WKRYCXUZBNWWEZ-HNNXBMFYSA-N 439.545 0.438 30 20 ICED Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@H]2CO)cn1 444752033 SEWQSRNFZYCWPQ-GBESFXJTSA-N 428.562 0.898 30 20 ICED C[C@H]1CN(C(=O)Cc2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)C[C@H](C)O1 445403930 PHZJNHSOUHBWTA-KBPBESRZSA-N 433.490 0.940 30 20 ICED CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476682579 DUHYJUBUFCYKDE-OALUTQOASA-N 449.515 0.860 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 478862145 WJGMWIWHKONMKW-CABCVRRESA-N 428.514 0.179 30 20 ICED CN(CC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 480042122 IAWSMTIQMGVRAW-IBGZPJMESA-N 433.490 0.015 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 480876018 NWQBSSQQNANKFN-SGTLLEGYSA-N 432.483 0.519 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486511840 WZJQSSVIICRUPZ-LJQANCHMSA-N 426.521 0.511 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)CC2)o1 490972225 YJRYQTCKFCWKME-YLJYHZDGSA-N 429.569 0.461 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)C1=O 499047035 XLMFOUQHXRJDHA-GFCCVEGCSA-N 425.405 0.393 30 20 ICED C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)[C@H]1CCS(=O)(=O)C1 499671979 VXWIMVBUSSCBHV-YQQAZPJKSA-N 430.548 0.224 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923807 HMSWUSFSVJQVJE-UHFFFAOYSA-N 445.566 0.751 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 523077329 NCMHDGQGFPWMPW-UHFFFAOYSA-N 431.449 0.632 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 523735671 YEYJWFKOWQOFEJ-UHFFFAOYSA-N 449.504 0.360 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 523993972 HGPWZDLNIQEMDS-UHFFFAOYSA-N 433.472 0.177 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1CC(C)C 532072042 IVSRJNLKKRUIKS-AWEZNQCLSA-N 443.525 0.755 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 534933049 KKYKRYNZIOZZQE-UHFFFAOYSA-N 449.515 0.746 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 550231569 FJIJRXUUUSNVKD-QGZVFWFLSA-N 438.467 1.033 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 553834554 YPKVABHGVWSTEU-FQEVSTJZSA-N 440.544 0.829 30 20 ICED CN(CC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2)S(=O)(=O)c1ccc(C#N)cc1 557754694 MYHKZBZQLZHXKZ-UHFFFAOYSA-N 439.559 0.996 30 20 ICED COc1ccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 565660553 LLBAECQWQCLMJC-UHFFFAOYSA-N 428.468 0.755 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)CC1 569703803 CEXDVRZMLQTDFR-OXQOHEQNSA-N 441.532 0.833 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2=O)cc1 573597265 UPMWWJUXIQDUPX-INIZCTEOSA-N 437.422 0.482 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579045229 KTPCFUHOZOBCSE-UONOGXRCSA-N 445.505 0.302 30 20 ICED N#CCN1CCC(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 609329178 YNRKHEHQAHQEGT-UHFFFAOYSA-N 447.561 0.404 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C(=O)N1c1cnn(C)c1 610532042 NABUDYGNTIDEPF-SUMWQHHRSA-N 447.459 0.180 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 615311466 JYLGRNMQEIJDTH-KRWDZBQOSA-N 436.520 0.671 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726576930 FFCZPUAKFSWCSZ-UHFFFAOYSA-N 440.481 0.771 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)c3cc4ccccc4n3CC#N)CC2)ccc1=O 729902702 FSPBXAPIKRJAIP-UHFFFAOYSA-N 448.483 0.873 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)NS(C)(=O)=O 731651424 LCAHYNLGOMSWDD-CQSZACIVSA-N 444.579 0.584 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ncnc4ccsc34)CC2)c1=O 742157569 SLLULYPOCRFXOW-UHFFFAOYSA-N 441.517 0.328 30 20 ICED C#CCN1CCC(C(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 747625442 QINKSARMIYIYOO-UHFFFAOYSA-N 439.516 0.904 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 755542854 BEWSXFJMCLXYGH-ZBFHGGJFSA-N 444.492 0.732 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 756451838 KIWOAORGWPVZMU-ZDUSSCGKSA-N 437.453 0.716 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 758066412 HUXKJQPVVUSRGE-UHFFFAOYSA-N 448.548 0.145 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766419343 RMTKFCMJADPVLI-UHFFFAOYSA-N 449.577 0.518 30 20 ICED C#C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)[C@@H]1CCCO1 775323292 IYNLOPNCYBPVMI-MJGOQNOKSA-N 445.497 0.872 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777017505 HGSAMCVULONWJC-CWRNSKLLSA-N 425.507 0.440 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 783479421 KIPUGAZCXFLSIM-CQSZACIVSA-N 448.480 0.648 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 789147638 KIQMCFXOQIKDMC-YADHBBJMSA-N 426.561 0.998 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789606716 CZTOMJBXQGQOPG-PXLXIMEGSA-N 434.478 0.819 30 20 ICED CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(=O)NCC#N)c1 804821278 JDBLKJCXQFEBIM-UHFFFAOYSA-N 431.312 0.753 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)n1 807587129 GCBDBOUKNURXGF-FQEVSTJZSA-N 437.500 0.721 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 811105899 MRSQQABHMHICDN-UHFFFAOYSA-N 426.495 0.182 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914817138 LLVJAEDUVVHNTG-UGSOOPFHSA-N 427.479 0.900 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 916808734 JKTIRGOLJVQBFW-IBGZPJMESA-N 430.417 0.969 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1 918097998 PISSKNQNNGMNLN-UHFFFAOYSA-N 429.498 0.995 30 20 ICED C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1)n1cncn1 918265361 STKRYSGCYYIVSN-AWEZNQCLSA-N 447.459 0.911 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCNc1ccc(C#N)cn1 918266361 ZCZTUORHBMHVDW-UHFFFAOYSA-N 442.501 0.321 30 20 ICED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 918985890 CTXHXPWRJKGTAU-MRXNPFEDSA-N 436.490 0.162 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286969731 QZEKLRWPUONOMF-NVXWUHKLSA-N 433.538 0.845 30 20 ICED CN(C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1)S(C)(=O)=O 1337873447 RUGQTKHYFXNQEJ-UHFFFAOYSA-N 428.536 0.375 30 20 ICED Cc1nnc(O)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1339188575 SWMQKRWHBMWFLG-UHFFFAOYSA-N 430.490 0.887 30 20 ICED CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1508335860 MLTMORUYSNHUMP-UHFFFAOYSA-N 431.522 0.471 30 20 ICED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1C 1515923867 IQQOGGHRWBRYJZ-MRXNPFEDSA-N 447.565 0.808 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1554431669 XWNYMOJWPCXECM-JTSKRJEESA-N 440.504 0.843 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1Br 1622409602 QBPZVEATDLUDTO-UHFFFAOYSA-N 434.287 0.969 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1628786878 JXXOMZQSNAZZPV-ICSRJNTNSA-N 437.475 0.945 30 20 ICED CCOc1ccccc1C(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1630342688 NCOARNKEXDKXAK-UHFFFAOYSA-N 425.445 0.594 30 20 ICED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1707791488 PFSXFBOBVQQHOB-HOCLYGCPSA-N 436.542 0.555 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722543149 MMKLKCBFBRBSLM-CYBMUJFWSA-N 445.977 0.041 30 20 ICED CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1724035791 TZLDWXYLWBMLAZ-FQEVSTJZSA-N 431.518 0.982 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CCO1 1730591380 LTMODZJHKQGYSR-GOSISDBHSA-N 448.549 0.996 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1751204436 OZQGJYTYLCWQTI-LSDHHAIUSA-N 427.575 0.737 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552089 DAECBQMKOUKKOF-HVHIPWAVSA-N 447.492 0.638 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778956940 FMIZMYRGTUPUND-SZNDQCEHSA-N 431.468 0.848 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100075 RZEFBKQQGCDMJS-UHFVFUGDSA-N 438.525 0.652 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779323891 VIUQSLFJPJSBEP-MPWIWIEXSA-N 438.569 0.781 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779499612 NJPLORHHBXPQMD-LITFDXQHSA-N 445.568 0.900 30 20 ICED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn2[nH]cnc(=O)c12 1780020324 NIHPYJQACXOLOP-HSZRJFAPSA-N 446.467 0.960 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780333937 BSKHBFIJIKIAPX-FQEVSTJZSA-N 440.416 0.955 30 20 ICED CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1780427192 RZMMRVZSIJFUOE-GAMXZPBPSA-N 447.492 0.848 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781349488 NTIJXZKEGWLYEO-QVKFZJNVSA-N 438.525 0.642 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781780615 BZNBGBBHJIQUOO-GEQKSPFYSA-N 440.500 0.587 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782421251 QKKZJRLSTVKFEV-LHSJRXKWSA-N 444.513 0.608 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(C#N)c1 1782766360 LGOXAZUYEBHQNE-AOMKIAJQSA-N 438.488 0.792 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783046898 XJHLBTMLHSTPRE-XGRCMKMKSA-N 435.521 0.458 30 20 ICED O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783497639 IVJWYYARLDXIFP-UFYCRDLUSA-N 449.617 0.714 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1)c1cccs1 1784532323 JZJCFPAPGWDYLX-WUUFJKRQSA-N 429.502 0.999 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784853342 IVCAEDBSUHHWMD-AVCGMFPDSA-N 447.532 0.625 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785330579 RWRQEKKCKAKCME-QZWWFDLISA-N 433.530 0.496 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082685 KZIYADLPFCFFQI-CVYDXHPNSA-N 434.493 0.790 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(CCOC)n3)[C@H]2C1 1787636791 LXKQMGWJPLTPFI-LNLFQRSKSA-N 448.520 0.632 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)n1 1787636850 KZPXOISSYNKNGU-AESMULHNSA-N 443.504 0.835 30 20 ICED 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20 ICED Cc1nn(C)c(N2CCN(C(=O)c3c(I)cnn3C)CC2)c1C#N 505663704 OHQOUUBQJVSFRH-UHFFFAOYSA-N 439.261 0.901 30 20 ICED N#CC1(F)CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 506582157 UEHFVCFVGPDKJM-KRWDZBQOSA-N 430.436 0.494 30 20 ICED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508366934 WVXLYIWOMQSDTA-UHFFFAOYSA-N 439.476 0.929 30 20 ICED Cc1oc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C#N)c1C 510067277 BEWZDVFEYSPQMT-LBPRGKRZSA-N 449.489 0.794 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1C#N 521444205 SDNVPUCOMMSVKO-GOSISDBHSA-N 435.532 0.892 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 541829773 KXXUCBBPQKIKJF-OAHLLOKOSA-N 426.520 0.151 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 545296546 UJUOWPCACCIFLR-OAHLLOKOSA-N 434.460 0.976 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccn2)CC1 550510869 OTQVKTMMSAWHFI-UHFFFAOYSA-N 448.531 0.065 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 561476371 CIBSKQHFHBVQID-GFCCVEGCSA-N 448.364 0.814 30 20 ICED COCCO[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568688177 NIFIYKBKPVEOPV-RBUKOAKNSA-N 428.489 0.824 30 20 ICED CSC1(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCN(C)CC1 569280194 MSYDERUDIQIZPL-UHFFFAOYSA-N 427.534 1.330 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 574185071 RUPIMGKOKZCAEH-QGZVFWFLSA-N 440.552 0.614 30 20 ICED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 579781394 OBYHGBCALXSRRN-NRFANRHFSA-N 440.460 0.896 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCCn2cnc(C#N)n2)s1 581446872 UAPKCHWPMMFYGN-UHFFFAOYSA-N 425.540 0.784 30 20 ICED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157260 RRXKXHLSYWKSQM-UHFFFAOYSA-N 449.463 0.855 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 603857021 MCNSZCQEWBGXHK-CQSZACIVSA-N 434.522 0.583 30 20 ICED CN(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)S(=O)(=O)c1cccnc1 603876753 QKQBVFITJJLBTE-UHFFFAOYSA-N 430.490 0.788 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 603994975 KXQGUBRFIFFAFW-UHFFFAOYSA-N 443.525 0.317 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 609668362 MTYJJPKCZINHKM-GOSISDBHSA-N 435.550 0.015 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCc2c1cnn2CCO 612202249 IJHXMPQXSLDJJS-INIZCTEOSA-N 427.461 0.905 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 614818746 WLJKDGZXFHPCNU-NEWSRXKRSA-N 438.525 0.642 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 615315366 MQUOHXIOJFKBJD-GOSISDBHSA-N 429.521 0.807 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 619734461 CVASFJOUSWMNLF-AWEZNQCLSA-N 429.506 0.557 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(=O)N(C)C)c1=O 671654175 SCWVTVMOTDZGNW-UHFFFAOYSA-N 441.557 0.692 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 728535094 YKBPSIJMWNVAQC-OAHLLOKOSA-N 432.908 0.595 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729186371 GVQGVFYUXAGXKM-LLVKDONJSA-N 432.296 0.784 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748104780 ZVQDLQLIFYKIJW-UHFFFAOYSA-N 446.551 0.277 30 20 ICED COCCN(C(=O)COC(=O)c1ccc(C#N)s1)c1c(O)nc(=O)n(CC(C)C)c1N 750393792 AJEKLMNJTJOJQS-UHFFFAOYSA-N 449.489 0.957 30 20 ICED COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 753559880 QSHHLRZYQCZYJV-CCEZHUSRSA-N 432.458 0.993 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnccn1 758556923 GSQWIVKQKNUCCN-ZDUSSCGKSA-N 437.503 0.435 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CCOC 760376479 AFYCLAXOIDGSSV-UHFFFAOYSA-N 448.570 0.546 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 766263821 VIWNRKOXJNZWGF-AWEZNQCLSA-N 428.536 0.668 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1 767682763 XLPLSFSKLUPDOU-LLVKDONJSA-N 443.441 0.989 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 773364741 TXWXRCJTNQXCNN-UHFFFAOYSA-N 445.501 0.340 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 781035510 BVNNCYGNMUXGBW-OCCSQVGLSA-N 437.474 0.068 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C2CC2)c1=O 782792242 HAWTZPKKZRVXRN-UHFFFAOYSA-N 426.523 0.239 30 20 ICED COC(=O)NCCc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)s1 788095276 JJJSZQXAPMGURN-UHFFFAOYSA-N 440.507 0.879 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccsc3)c2=O)cn1 790437510 IQNHUTTVCWOEHA-UHFFFAOYSA-N 443.554 0.831 30 20 ICED COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 807366967 JOUMYOXGRZEMFJ-UHFFFAOYSA-N 446.367 0.207 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3cncc3C2)c1 810460952 JMIKPZWPAJETMH-XLNRJJMWSA-N 430.490 0.677 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 811805912 VCCZWEURFRVALO-UHFFFAOYSA-N 440.469 0.998 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917355194 BGEBNJODEZTQKY-UHFFFAOYSA-N 444.557 0.426 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(OCC#N)c2)s1 1252409982 LAQIPYFZPJJJMG-UHFFFAOYSA-N 436.515 0.881 30 20 ICED CC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1291372774 GMQOYWYPBZHVLH-VQIMIIECSA-N 440.570 0.902 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1315537243 LDIWVFWJXDSZBQ-GHTZIAJQSA-N 428.493 0.661 30 20 ICED CN(C)C(=O)N1CCC(C(=O)NCC#CCNC(=O)C2CCN(C(=O)N(C)C)CC2)CC1 1320086647 NTGAYCXYLAUSFJ-UHFFFAOYSA-N 448.568 0.009 30 20 ICED CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1=O 1502235671 UQQREKDIXJUICA-JKSUJKDBSA-N 432.506 0.139 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1541927511 LSRAANBOYSXBAI-PXAZEXFGSA-N 429.522 0.635 30 20 ICED CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615100600 MGLYWJRVCYRRIP-MRXNPFEDSA-N 437.508 0.301 30 20 ICED CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1615706644 ZANCAKZPUJWUKC-PBHICJAKSA-N 447.569 0.330 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1620178816 NZWOCKXRPZWVMM-UHFFFAOYSA-N 434.522 0.487 30 20 ICED CCN1CCN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1673969269 WASPMVPEKGRGNU-UHFFFAOYSA-N 439.520 0.457 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1690994085 VPTMFKHYMCYMOI-CABCVRRESA-N 425.559 0.887 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1729596999 OMBLSJJWTYGQKV-WIYYLYMNSA-N 444.561 0.897 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1761482719 LJRZADURPPXWIP-SMDDNHRTSA-N 441.455 0.824 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1768546274 ZTQLQKHECJDKIY-MRXNPFEDSA-N 437.547 0.875 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1778158374 FFBQQULWDLRGMZ-JOCHJYFZSA-N 442.472 0.853 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019511 PWNVVMRRRQNWQK-XGHYCODVSA-N 429.525 0.579 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1)C(F)(F)F 1783207292 GLIWGLZPQDVMAQ-QGZVFWFLSA-N 430.383 0.661 30 20 ICED CC(C)OC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558286 WNIHBJTYMISWFS-NRFANRHFSA-N 429.429 0.178 30 20 ICED CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CC1 1783598238 OFHQUANHIYOTPU-FCPXODBFSA-N 436.553 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1783855310 NXKQIYRMHSJLQX-VIGWFPLDSA-N 447.532 0.654 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1785015836 UDWUPPYIWGGVTB-BZSNNMDCSA-N 432.546 0.710 30 20 ICED O=C(COc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785147163 RRWPVOCKJMHORB-DRDXURGPSA-N 446.504 0.969 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1785375439 ABDTYUCYJHCAPA-QHCPKHFHSA-N 449.467 0.575 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1785574690 OEDNGSAMHJQMHV-PNLZDCPESA-N 432.521 0.261 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)C1 1787503358 AKYZFZMPZICRKO-SZMVWBNQSA-N 425.551 0.358 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638784 GCDAOJLSWANTGE-CUWPLCDZSA-N 441.528 0.677 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c1 1790225269 FXPVBJNGYSDNIT-ZVZYQTTQSA-N 430.436 0.743 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C[C@@H]21 1790788694 COKIHLMUVQSVQA-YEWWUXTCSA-N 431.876 0.678 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1791261681 VVQUHBRPPYFPKL-LLDVTBCESA-N 432.546 0.638 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557637 BHHNHDSDZHVDOV-XCRNZQRYSA-N 434.500 0.981 30 20 ICED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1794228052 ZLNUEPUZPXKRKJ-QHBPRCKVSA-N 449.393 0.618 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C(F)(F)F 1794274717 PGOKXAMOIFBBTJ-XPCVCDNBSA-N 428.411 0.680 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479141 IMRKNDCBLJQKEN-OPOADAIRSA-N 440.500 0.960 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c1 1796574666 VLOKIQNXLNFXQU-MUJYYYPQSA-N 432.444 0.558 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796616356 AMDZFUOOWLKTEG-UGNRZPKXSA-N 444.532 0.713 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797740662 ZDSQMRICJPISLB-IFPBRKCUSA-N 439.520 0.493 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797742172 LSTVTWBQKCLALH-WRGDSQCOSA-N 444.536 0.600 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1800108150 ONWNCCGHHUXIKB-NXOAAHMSSA-N 443.504 0.743 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1800203771 OSSKRDIMWODSAB-RMYQPGKMSA-N 447.495 0.975 30 20 ICED C#CCCCC(=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 1800996103 JRMBNPWWJAVQMG-PDPLOHQNSA-N 449.548 0.751 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H]3CCNC(=O)C3)c2c1 1801068884 AHYSHBHTTSUPKG-ZTENYAIWSA-N 436.472 0.164 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1801595222 DJSXXLMWTDFMBL-ZUGKJJTMSA-N 425.551 0.920 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801948166 HJXZJZWLTGPPDC-RDPOXOKHSA-N 427.501 0.434 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN(C)C(C)=O)[C@H]1c1cccnc1 1802475658 AKGARPDZCBPCRW-AAZQJQCHSA-N 441.532 0.814 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)[C@@H]1c1cccnc1 1812874727 MKDVRXLMFCLQGH-BXUZGUMPSA-N 445.325 0.531 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1822928126 RIXOYLUNXBSYJE-LLVKDONJSA-N 447.521 0.898 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc1 1825663984 OEQFAHVGPLYBAD-JTQLQIEISA-N 448.482 0.255 30 20 ICED O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828914838 WJWHQZIOBOCHAP-UNWRABBRSA-N 449.596 0.728 30 20 ICED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCN2C(=O)OCc1ccccc1 1829034884 BJBASHAEEDNJDM-NRFANRHFSA-N 437.460 0.784 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310412 XKBSNSJWPZUTRS-MBSDFSHPSA-N 438.484 0.208 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CC)CCO3)c(O)n1 1830515546 OCNYUSMOVUBOST-GCJKJVERSA-N 433.505 0.747 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1831386695 IYBLXLOCCSQDPS-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831419440 MBPAVEJYCIZNRV-FXAWDEMLSA-N 427.567 0.083 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831424101 DOCKUZVBRPGSLO-SNYIIPAISA-N 443.544 0.748 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831427079 OWRDOWKRFNBYPI-KKSFZXQISA-N 429.477 0.390 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4COc5ccccc5O4)CCO3)C2)CC1 1832494084 UFSTXKNNTCJDRS-AVRDEDQJSA-N 427.457 0.587 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834773042 FPQOYYVKFILLCU-BBVKYHIBSA-N 433.461 0.274 30 20 ICED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834943182 DWLRBZSPGPPBLW-OAQYLSRUSA-N 426.477 0.066 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835753805 FPCCRRCRVJTUPR-NRFANRHFSA-N 449.548 0.856 30 20 ICED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)C(C)(C)C#N)CC3)CC2)c(=O)nc1O 1836580857 YEUBBOMWDCKJSA-UHFFFAOYSA-N 445.520 0.806 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811490 SBPMSXDFRURHRI-JTSKRJEESA-N 443.504 0.601 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837243262 QAZLEGQENGRHAN-IIMAJNMQSA-N 433.530 0.787 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1837402237 FVYXSHIHAAHNEJ-WMZHIEFXSA-N 448.564 0.609 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531257 GFCIKNUMGQVDMM-OSTGQTKBSA-N 441.525 0.785 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649665 DHKUJYYGDCFXIB-DUYDGHCJSA-N 431.493 0.329 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839216072 ZQJURINPAAPTDC-WMZHIEFXSA-N 440.500 0.443 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1839419649 NUOXKVWNKNGNOG-JOCHJYFZSA-N 439.447 0.800 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487825 YHUPEMYWSMPVNS-QFIPXVFZSA-N 449.471 0.552 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634683 VNJACSLEMSGWST-UGKGYDQZSA-N 425.489 0.513 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077985 WVYLXWXYEOPYQI-UGKGYDQZSA-N 442.553 0.725 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1840157025 BYTFHJDMCDGMKZ-NJSLBKSFSA-N 431.555 0.674 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263428 ORCYKEHDYAMLNY-QFIPXVFZSA-N 433.505 0.360 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840432511 PLZCPENWWQBZBA-IIBYNOLFSA-N 426.477 0.489 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1840713556 FSRLRUVYVSMRHA-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1840843168 YKPSRLZSXOQCEV-QFIPXVFZSA-N 439.472 0.923 30 20 ICED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1841885575 AVKIEZVGQGFZDC-AWEZNQCLSA-N 440.566 0.878 30 20 ICED N#Cc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 32439552 UVBNSJUKQDTEGG-UHFFFAOYSA-N 435.531 0.384 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 32684309 MRHIXKQIDYIDDZ-UHFFFAOYSA-N 438.487 0.206 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409543513 HVOPVJVSOHAEPS-MRXNPFEDSA-N 428.536 0.207 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 410204206 CVNUNNAGEJWBMK-VOMKJEOTSA-N 431.518 0.759 30 20 ICED CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437951221 VMKNYSUFLDBMSE-MJGOQNOKSA-N 441.488 0.763 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441950648 CVLUSEDGEDBAAI-LSDHHAIUSA-N 445.566 0.806 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)c1 444519791 HYZIFKZXOFKGHZ-MRXNPFEDSA-N 426.433 0.674 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 447205117 XOSWAHOAVSVYQH-UHFFFAOYSA-N 443.507 0.197 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461361237 DHFSFWRHYBJTHP-UHFFFAOYSA-N 426.498 0.466 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1Cl 461369359 CZKSNVTXVRNUOY-CYBMUJFWSA-N 433.917 0.907 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1OC 463796112 YPSRSTOIFOLVSX-UHFFFAOYSA-N 444.473 0.177 30 20 ICED COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 469256429 TUHYLDFTXXWLBR-GFCCVEGCSA-N 446.445 0.942 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 476760190 NXJRSJPMSNOEGL-UYAOXDASSA-N 432.496 0.608 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 480526667 MJGIFTPTXZWKDB-CYBMUJFWSA-N 436.515 0.913 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 480785945 KVXOVWWABLINSX-MPBGBICISA-N 441.469 0.918 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 486002164 JBZSIWRQKAZNCX-WUOIFLIFSA-N 436.468 0.328 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 488636819 JQVQMJZOPPFSBU-AWEZNQCLSA-N 426.470 0.535 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(-n4ccnn4)c3)C2=O)cc1 488646697 RGSOTSGHVYFUDT-LJQANCHMSA-N 429.440 0.995 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nncn3CC)c2)CC1 491152806 AUTJGCDKURMMSS-UHFFFAOYSA-N 425.493 0.350 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1=O 499422725 QRDXDSNFVXXHJU-GFCCVEGCSA-N 429.351 0.538 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CC1 501636502 FOYJLCOVFXNYLJ-GOSISDBHSA-N 425.533 0.824 30 20 ICED COC(=O)c1cn(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 504698995 RUHCOCRTXHTHHC-UHFFFAOYSA-N 437.464 0.636 30 20 ICED Cc1cc(F)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(I)c1 508307422 FTGWXOFBVGMECF-UHFFFAOYSA-N 442.192 0.957 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 545314101 TXBICUUSTKBNHM-UHFFFAOYSA-N 428.470 0.948 30 20 ICED Cn1cc(C(C)(C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 547414169 KOAGQERBRKUWEE-UHFFFAOYSA-N 430.534 0.650 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552258202 XFJCNFCETRCDNS-HOCLYGCPSA-N 437.422 0.923 30 20 ICED CN(C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O 552264687 SSMIXCWGNURFFV-MRXNPFEDSA-N 442.563 0.309 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)c(F)c1 554158527 KHPLKPDWNTUBAX-QGZVFWFLSA-N 437.479 0.921 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 554292874 LYPMJQCUGSKQPP-UHFFFAOYSA-N 443.942 0.971 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 554910652 MNDYPWDTAYRKLL-UHFFFAOYSA-N 429.506 1.479 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(C)C)c1=O 559152048 ATDWEOPJWAVBBA-INIZCTEOSA-N 444.557 0.907 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)COc3ccccc32)c1 561407025 MTXCSGRQQPRAPP-UHFFFAOYSA-N 428.470 0.768 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 573331709 BMLZIJGQDOSGJU-OAHLLOKOSA-N 442.563 0.541 30 20 ICED CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 578692854 JEPFHLZQULRKIH-LJQANCHMSA-N 438.488 0.407 30 20 ICED CC(C)(CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCOCC1 585684050 PDWMHMAHLNVBNN-UHFFFAOYSA-N 430.509 0.299 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(C#N)c(Cl)c2)c1=O 611078592 OKZDRXMSTQYSFH-UHFFFAOYSA-N 438.900 0.890 30 20 ICED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1 615635145 QVTMPLJIIQXCML-NRFANRHFSA-N 427.436 0.903 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 619565326 CRWXTIBQJMKPPA-XJKSGUPXSA-N 443.547 0.514 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(=O)N(C)C)cc1 671654157 HAEHFDXHGBUSEK-UHFFFAOYSA-N 449.536 0.734 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cnc21 727223074 NRKKPEWXHRDCBG-INIZCTEOSA-N 437.254 0.244 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)c1 747006009 AYXGHYHWUNURPB-JJIBRWJFSA-N 449.533 0.613 30 20 ICED CC[C@H](C#N)Oc1cc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1OC 754319412 KEHPTYCPUGYEKV-OAHLLOKOSA-N 446.551 0.288 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 765893560 ISMXRYJOSHSMPU-WPXJSCNMSA-N 449.533 0.469 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cncs3)c2=O)CC1 767884630 MGOZDDHOWKATFY-UHFFFAOYSA-N 429.571 0.758 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 783350232 HFCCTAQFGWIXJL-UHFFFAOYSA-N 431.536 0.373 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccc(C(N)=O)cc3)CC2)o1 786124571 HVTABTNSMNZPOK-UHFFFAOYSA-N 441.444 0.615 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@H](C)O1 787200283 UDTVFFOLWXUUBY-HOTGVXAUSA-N 437.504 0.806 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccccc2N2CCOCC2)n1 788333943 SWGBJMPBFOUBMD-UHFFFAOYSA-N 439.516 0.644 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 794646254 WIGZRAJWKIPPPO-INIZCTEOSA-N 436.489 0.813 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514444 DUSRFAAPQBKPKB-CWTRNNRKSA-N 439.490 0.385 30 20 ICED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 810782378 OHPCSXZSNOEXEX-INIZCTEOSA-N 442.291 0.685 30 20 ICED C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812250819 FPEGTHKNZMMKIT-YESZJQIVSA-N 426.539 0.808 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(C3CCC3)c2=O)cn1 814252800 JTTGSRYXFXKGPS-UHFFFAOYSA-N 427.530 0.978 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815562072 WGQBSYRBOOJXQD-LBPRGKRZSA-N 425.388 0.680 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CC(=O)NCCOC)C1=O 914555711 KWMSTJNXQMEWIY-HNNXBMFYSA-N 435.506 0.475 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2ccccc2)ccc1F 914595400 JYCAWZSGPHADJQ-UHFFFAOYSA-N 441.506 0.998 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCOC 916198557 OAEDYFVKCUNWQJ-UHFFFAOYSA-N 433.555 0.544 30 20 ICED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(CCOC)c1=O 916198591 QCWSONIVCKEIGF-UHFFFAOYSA-N 431.514 0.221 30 20 ICED N#Cc1cn(CCC(=O)NC[C@@H](CO)Cc2ccccc2Br)c(=O)nc1O 1634049011 WOOXEWORAAXIEG-LBPRGKRZSA-N 435.278 0.941 30 20 ICED COc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 1679988010 ZMLBMMCXNGCGGH-HNNXBMFYSA-N 442.519 0.233 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CCO1 1696962865 NCYJHYGSWITHPS-JTBPQFFMSA-N 428.518 0.679 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1698304440 TWTNMYDXNLTECH-INIZCTEOSA-N 430.490 0.892 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1764994311 VLVHBUAEYWOZKA-MRXNPFEDSA-N 431.522 0.423 30 20 ICED COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1770978769 LHMNJMGFJFQDMQ-JOCHJYFZSA-N 442.520 0.899 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114564 MMPOPSZFQSAUNI-LJQANCHMSA-N 445.607 0.407 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1778265749 DQANWIUBTQCOFB-QFIPXVFZSA-N 429.496 0.388 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C2)C1 1778320475 NIVUCIFNFXQLHM-QHCPKHFHSA-N 430.549 0.172 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1779137503 PHZALOTVZUUZCQ-IQTGRTGDSA-N 428.445 0.551 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)S)C3)cn2[nH]cnc(=O)c12 1780020293 XKWGSICGOWBAKG-WAWZGNHOSA-N 433.534 0.777 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599608 PCYXPFTZIBITDL-HTAPYJJXSA-N 444.488 0.845 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780785657 QRYPSDRIYKRWBY-WHSLLNHNSA-N 438.525 0.690 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)C[C@H]1CO2 1781064055 ZDZFUQXVTZVIOC-SSKFGXFMSA-N 448.520 0.898 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cc1)CCO2 1783561713 HLXXVGUZZUZYRH-JOCHJYFZSA-N 427.457 0.055 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786475495 XPLBTIKNSBVYON-XSLAGTTESA-N 438.569 0.997 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152236 GZOLPXHUDMNFRK-ZQIUZPCESA-N 434.518 0.235 30 20 ICED COC[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 1787470015 ODOARVJOCVLUFJ-GVRJEKJASA-N 445.582 0.824 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[S@@](=O)CC)[C@H]2C1 1788491878 HRUHPSMWXVMDSL-VIXHQSIBSA-N 428.551 0.634 30 20 ICED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788630298 ZARTXYNXLIREJW-UFYCRDLUSA-N 433.549 0.533 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1789953361 BORNENPWJSEWED-OHFALNGGSA-N 431.493 0.575 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1789954276 ZDGQQCLRHYXLRP-WNHJNPCNSA-N 445.520 0.592 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793840647 PUNROXFNZJGZAS-DOKOSKEHSA-N 430.501 0.989 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)c(O)n1 1794490572 IKDCRZIDARBDGD-CWPLJXCYSA-N 440.504 0.791 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc2c(c1)OCO2 1795318800 FBLYYODCGBGKPC-YDGKCNFYSA-N 428.485 0.976 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795967497 XCYKOWHJGBDFBQ-MUJYYYPQSA-N 436.405 0.300 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(C(F)(F)F)n1 1795997297 MMDQZUHLTAVVIG-CULMDFNYSA-N 436.346 0.263 30 20 ICED CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nn1 1798752179 UKUBOZGIHOIYCE-ADUKNNKPSA-N 430.509 0.550 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cnn(C)c2)C3)c(C#N)c1 1799241427 XFQAMVQLBAUROP-BBIADKPPSA-N 437.500 0.675 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1800693927 FUSNTNVJSWOQGN-OLMRKFRDSA-N 446.504 0.365 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988899 QQCZCYGEWCCJOT-QRJUGERDSA-N 435.477 0.083 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1803545943 RIBXZTWPLFSTPA-SYNHAJSKSA-N 435.484 0.933 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)ccn1 1808927354 XQXXSBNJELBREC-UTKZUKDTSA-N 435.440 0.843 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)CC(=O)N3)[C@H]1c1cccnc1 1809689723 PWCGYAFELILECA-KSFYIVLOSA-N 432.436 0.984 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716332 MOOZJBZUTAXNJR-REWPJTCUSA-N 430.549 0.568 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1814438938 VYROFORDDKGLOR-JTHGQSKGSA-N 443.552 0.508 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1819713974 FKPSCOKOQFRYEM-NOLJZWGESA-N 438.550 0.779 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)n2cnnn2)n[nH]1 1822849895 AAOLKIBZYACVSO-JVCLFCCPSA-N 427.469 0.508 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632515 VQSNBTNWVLNCDM-REWPJTCUSA-N 428.533 0.945 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)C2)C1 1829670618 GSDHRVQVNCRAGP-IERDGZPVSA-N 439.509 0.252 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339488 SVEFIYWXJJHVMD-VGSWGCGISA-N 434.489 0.819 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465355 DZHNZCINNDIGJI-OAQYLSRUSA-N 443.891 0.590 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830654922 HXCOLGCKSAANRN-JPYJTQIMSA-N 442.516 0.924 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830903244 IQMLZYCZQKLYRS-JFJMSNSPSA-N 447.444 0.696 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1831402724 PXAYMADHBOXVPX-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1831409183 MVEQRFLOQULKPH-JOCHJYFZSA-N 448.520 0.718 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831431991 INFGYUJUANIWPU-QVKFZJNVSA-N 433.461 0.471 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1833475529 QTVJLKKXLCSPNU-QFIPXVFZSA-N 438.440 0.341 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351149 MRHIPGRAULKTNZ-NRFANRHFSA-N 436.530 0.665 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836032921 SUFWBVCBFPOZOO-XMSQKQJNSA-N 435.496 0.793 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837439654 ZMNQQYPGSARYOJ-BCVDLATCSA-N 449.464 0.730 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(CC)noc1C)CCO2 1838052870 MBJWXZKBNCZUHT-ICTHTSFCSA-N 446.504 0.474 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(n3)OCCO4)CC2)CC1 1838060244 QODBDNGUPZGZNZ-UHFFFAOYSA-N 443.456 0.553 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838080707 ICXOAJVFWOOKON-GOSISDBHSA-N 428.411 0.922 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838109535 XHGZQUDQBBPEJR-NRFANRHFSA-N 426.429 0.944 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1838950205 NVWWOFFGQRBOCG-QHCPKHFHSA-N 442.516 0.351 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839228620 JZCXGVLHDYSWTC-IIBYNOLFSA-N 434.493 0.465 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)c1 1839420290 ZZAYPIQFTZISNR-OAQYLSRUSA-N 425.420 0.871 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840431868 TXLJRCMDYMUBFO-SPEDKVCISA-N 434.537 0.549 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1840716696 PZVNJUROWHISHO-ZHRRBRCNSA-N 428.489 0.649 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902225 ACTTYFMNIONSHC-XFQAVAEZSA-N 435.546 0.580 30 20 ICED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874325 VBBDIWRFAKYMAL-HRCADAONSA-N 434.562 0.582 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)c1ccc(O)cc1 1846034949 WJRIUIPZKHKNGC-HXUWFJFHSA-N 443.544 0.379 30 20 ICED CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409580723 OHPXTMIYOLLCRR-KRWDZBQOSA-N 442.563 0.508 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cnc2n(C)c1=O 436463668 ZWIDTOYPRKLXOK-MSOLQXFVSA-N 446.467 0.869 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 438614567 PPVULKFJQOIGDR-UHFFFAOYSA-N 447.439 0.265 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)(C)CN(C)C 440390666 ZIYPHFONVXRKIA-UHFFFAOYSA-N 441.557 0.992 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)n2)c(F)c1 441742558 MGIWTOOYTWOYSP-RTBURBONSA-N 440.479 1.316 30 20 ICED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465122365 PDNNLWOWFHQVGF-YPMHNXCESA-N 433.494 0.357 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)CC2)c1C#N 471962683 AOEHHUGUFWWZEK-QGZVFWFLSA-N 436.476 0.705 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 497575669 VRSKQNIPTRUEGJ-QGZVFWFLSA-N 440.460 0.063 30 20 ICED CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O 498116512 YQUGJUXJECILHH-CQSZACIVSA-N 426.882 0.942 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccccc3S(N)(=O)=O)C2=O)cc1 503114389 DZUNSWVAUICXFC-QGZVFWFLSA-N 427.486 0.806 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)nn1CCC#N 504868515 BNCXFTKFGLKLOU-UHFFFAOYSA-N 430.490 0.852 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 506683342 QUICHUMYBGAITQ-INIZCTEOSA-N 437.522 0.815 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513599192 FXRWIMSDWSKVCH-DMZKTXOQSA-N 436.472 0.715 30 20 ICED N#C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@]12C(=O)Nc1ccccc12 513980664 XTMPOPPVZNBNMF-HXOBKFHXSA-N 431.500 0.861 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 516329775 PEDIYNNKPPFXNN-DLBZAZTESA-N 442.559 0.959 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 519554132 DEFABNTWPGRSSY-CYBMUJFWSA-N 434.444 0.607 30 20 ICED C=CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 521492764 DYGHTJSBGZJKRT-IBGZPJMESA-N 442.516 0.340 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 523864190 LHUWMBYHPFAEST-UHFFFAOYSA-N 434.521 0.813 30 20 ICED COC(=O)c1cccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 534490577 FOLXXWVKAVPWIT-IYBDPMFKSA-N 436.534 0.816 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 540745854 JCFZPQMCCBLSSG-UHFFFAOYSA-N 438.506 0.227 30 20 ICED Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 569516179 APIDVFQRIJFNNV-INIZCTEOSA-N 431.518 0.663 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 580483915 WHJVLGYZFNNVHJ-CQSZACIVSA-N 426.539 0.775 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCCN(c4ccccc4C#N)CC3)c2C)no1 590215692 SNHRELIMENDFLP-UHFFFAOYSA-N 449.475 0.875 30 20 ICED CN(CC(=O)NC1CCN(C(=O)c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603898989 VGJCWPUFAHIVMN-UHFFFAOYSA-N 441.513 0.995 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 604270212 TVRBDVOTLJMYED-UHFFFAOYSA-N 428.514 0.034 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 614605810 KVLDKCXJWNQNOE-UHFFFAOYSA-N 434.562 0.777 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(C)n2)cc1 682349229 KQSLVJSAAZVPBZ-MRXNPFEDSA-N 449.489 0.723 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 728533808 ALOOJOOKSCNSDT-JOCHJYFZSA-N 432.524 0.921 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 743728358 OHWCHPZLMILIND-UHFFFAOYSA-N 448.566 0.829 30 20 ICED CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)C(N)=O 746139761 CGXWCROHRRRNEV-RNWAHURQSA-N 437.522 0.598 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N)c(F)c2)CC1 749191823 XADNCSRTQHEWPH-UHFFFAOYSA-N 446.460 0.969 30 20 ICED NC(=O)CNC(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 751399416 WCTWWLNGVOBLOZ-UHFFFAOYSA-N 443.485 0.359 30 20 ICED COC(=O)[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 751622740 NLAJRCJKWCQSRS-WMLDXEAASA-N 433.442 0.481 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(C(C)=O)CC2)cc1C#N 752380260 YWJWWVICJYZMMU-UHFFFAOYSA-N 430.465 0.345 30 20 ICED C#CCN1CCN(C(=O)COc2c(I)cc(CO)cc2OC)CC1 769879837 YBQZFEVLPIAJQZ-UHFFFAOYSA-N 444.269 0.948 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 772929774 FNNBIKYAKBROBG-BJOOFOGMSA-N 445.925 0.965 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1 778205995 FZTNIBLDWIGIGU-KQWNVCNZSA-N 435.506 0.080 30 20 ICED N#CC1(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 784187197 QBAMSEVCUDQYEN-UHFFFAOYSA-N 435.502 0.746 30 20 ICED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)NC1(C#N)CCC1 787667188 DWTNRMOTXCJTEV-LBPRGKRZSA-N 426.520 0.860 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnnn1C1CC1 790710874 JZNVVCCPRQHUAG-ZDUSSCGKSA-N 430.494 0.657 30 20 ICED C[C@@H]1c2nncn2CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 792358637 SQHJHOIKCGGNPQ-GWKQSCENSA-N 445.505 0.633 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1=O 797421446 POFHZUOHCMOFSL-KRWDZBQOSA-N 425.489 0.486 30 20 ICED C=CCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800779308 NGTLCGPFDFACBK-INIZCTEOSA-N 443.595 0.761 30 20 ICED Cn1c(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(=O)n(C)c1=O 808963808 VTAJAOAETBHIRG-UHFFFAOYSA-N 446.485 0.100 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 856369964 REVCKDITIQEVDP-RDTXWAMCSA-N 438.502 0.832 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCCNS(C)(=O)=O)C1=O 914557387 PFHXASQWPHEAOB-CQSZACIVSA-N 428.536 0.702 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCNc3ncccc3C#N)CC2)cc1 917156842 HPRPNQODBVPMLI-UHFFFAOYSA-N 442.545 0.796 30 20 ICED CS(=O)(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302429228 YNPAOIIUJOFPOJ-INIZCTEOSA-N 444.517 0.695 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1467672933 VTJUZMIUOAAYQL-UHFFFAOYSA-N 431.312 0.744 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1OC 1504203180 NFTRDAHEZIZKLB-MRXNPFEDSA-N 442.476 0.550 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CCO1 1554452458 XRZLITSMKMMXSH-MAUKXSAKSA-N 427.509 0.630 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(CC#N)C1 1557187881 PVXHSOAXRBOFES-MAUKXSAKSA-N 427.910 0.750 30 20 ICED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1584628066 VPEYVMZQLAUZLW-KRWDZBQOSA-N 425.489 0.960 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1618815267 HQUIUCRXABQSIU-QGZVFWFLSA-N 425.493 0.386 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1620169245 JYNBCXUYBBDTIA-SJORKVTESA-N 431.522 0.417 30 20 ICED N#Cc1cn(CCC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)nc1O 1625483631 IYTYJFMNAPRTDJ-MRXNPFEDSA-N 431.399 0.796 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1692529123 NOOXBNJUISYROQ-GOSISDBHSA-N 425.559 0.874 30 20 ICED CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706255974 QCZVMOPNUHAYLA-MSOLQXFVSA-N 431.541 0.600 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1749547181 LOPPAMAKNZUXCV-YOEHRIQHSA-N 434.522 0.606 30 20 ICED CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1766266795 HRFSRZKMDKZIAO-LAUBAEHRSA-N 431.541 0.633 30 20 ICED CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766681266 WMHIBBMKNPYLGQ-MRXNPFEDSA-N 435.554 0.125 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442843 MXUSPHXCXSVMOB-KXCPTRETSA-N 430.505 0.903 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1779529782 LMLULIFONDIJOW-JOCHJYFZSA-N 435.440 0.998 30 20 ICED O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1780764982 RUPBYOSTMCDWRR-QWZDUJMOSA-N 427.498 0.038 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1781111482 HAJOMNHCQIFBDR-ZMPRRUGASA-N 448.520 0.348 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c(C#N)c1 1781175077 XOEUBZWEWDGQBB-QHCPKHFHSA-N 440.500 0.562 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255128 RRSCRYKOPUJBOG-HFJQGTKSSA-N 427.501 0.854 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781270578 QEGHTFXMPKZHJZ-HVHIPWAVSA-N 437.493 0.855 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781349491 NTIJXZKEGWLYEO-VFNWGFHPSA-N 438.525 0.642 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(O)n1 1781364982 YCLXUIQVVYXMMA-MBSDFSHPSA-N 442.516 0.970 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3F)C[C@@H]21 1783531456 QTFFSGFDRANZFO-MZUPBALQSA-N 431.464 0.983 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCn4cncn4)C3)C2)c(C#N)c1 1784343058 UPRPMAGKEHNIDT-JOCHJYFZSA-N 438.488 0.621 30 20 ICED CC(C)c1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)no1 1785209793 ATQCWUBYBYELFS-ULQDDVLXSA-N 446.552 0.997 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1785576083 GPIWALJQPWLGBK-PYIDCTPTSA-N 449.504 0.764 30 20 ICED O=C(CN1CCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786732328 HDAIVZFLJSGYCW-UENFQBCKSA-N 436.509 0.118 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788658869 AHLUNCHNXSVFKL-NMWHZSIXSA-N 448.476 0.615 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)c1 1789508649 RVZTZFJZEDSKGL-ACRUOGEOSA-N 447.495 0.977 30 20 ICED O=C(CCn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791648189 LJGHJKWQWKJPQL-FOYLYBJLSA-N 434.497 0.177 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)CC2=O)c1 1792428654 HGCUFIBXHSPTFK-NKGVLGIYSA-N 447.557 0.956 30 20 ICED 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 1792780323 UTIRPUCRWVUSSB-NGLMIUMZSA-N 435.546 0.074 30 20 ICED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793254080 PFILLUZVXWPDOD-FJEYYMGFSA-N 438.525 0.411 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793354599 DIRWKNJXALEJEX-NYCLONFESA-N 437.518 0.279 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)c1Cl 1793943041 BQBLZVXBAHEHBI-DMVWFOPNSA-N 445.863 0.013 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)c(O)n1 1794488979 ZVYISRUPNCWKDY-HBCWATKFSA-N 439.472 0.918 30 20 ICED COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794728251 FIFZFAQDZOWBKN-RFTGSIGZSA-N 432.477 0.822 30 20 ICED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444212 FLDSSGNPVKQFGM-YCUSNSCCSA-N 434.518 0.348 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785377 PVJGJEQTPTZOJS-WERVVEIQSA-N 428.533 0.807 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347397 ZQGMEHYILDPSAM-XLMAVXFVSA-N 443.504 0.259 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1831402832 SZCSZNXIQRQESJ-GAJHUEQPSA-N 443.500 0.753 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831418628 GBHOFOXYSVBEHF-GCJKJVERSA-N 437.537 0.437 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831424092 DFMXKZGAFNMBQV-VFNWGFHPSA-N 429.477 0.619 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1833465689 PHZXAJHEIQESQV-GCJKJVERSA-N 441.576 0.561 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1833470435 ATMUZUXPBYQRGH-UHFFFAOYSA-N 449.640 0.788 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833615259 ZVYWMSKJIJYCPF-JOCHJYFZSA-N 443.504 0.292 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)n1 1833875751 MAXPVVAWJMFXFA-NRFANRHFSA-N 443.891 0.590 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cnn1C 1834425345 WUSBJFXHHLLGAR-QHCPKHFHSA-N 444.532 0.497 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834604367 VLYDGJGVKKWIJH-DYVFJYSZSA-N 434.566 0.664 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834720921 GSRXXYCHMGSLEV-DYESRHJHSA-N 427.549 0.691 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834977637 RTRWDGFLXFHTFI-IERDGZPVSA-N 439.509 0.006 30 20 ICED O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CN1 1835097263 RTVCJWCWEIHXJL-WMZHIEFXSA-N 425.485 0.021 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)OC(C)(C)C 1835208431 JICZUOJCDXCEFS-QFIPXVFZSA-N 435.521 0.723 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1835673034 RZVXDZNIFUWRFK-HSZRJFAPSA-N 444.532 0.804 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835718194 WSFNYBUWESNYQQ-QFBILLFUSA-N 434.581 0.657 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732650 TUACBLFSBBBDDB-BXDFRRGMSA-N 434.585 0.554 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837905283 DXLOBFALRDHAGX-NRFANRHFSA-N 433.484 0.573 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838309021 ZQJXMXNELSXRTG-MGPUTAFESA-N 440.928 0.717 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838358000 MQCGAHXLXUPMBI-GOSISDBHSA-N 447.492 0.563 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1839061659 HCGZSNKVZAMZPL-ZJSXRUAMSA-N 440.544 0.899 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)ccc1F 1839187322 WHMKAHUVNDWSBT-UGKGYDQZSA-N 428.464 0.224 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839225733 RZSMMSQXGMLCEZ-ZHRRBRCNSA-N 447.536 0.780 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)C1 1839691621 DIYBFWZYKHCJAQ-DEOSSOPVSA-N 440.544 0.806 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839956351 NGBXAWRQTWORDG-XQFWAAQXSA-N 432.517 0.638 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840159723 LOMCRWVCZUABTE-ZUOKHONESA-N 434.518 0.355 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840199307 WEXHQYPKRQAZEG-LLEXLLOWSA-N 439.534 0.269 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840853063 CONNKXYTVZZEMW-ICILYHDOSA-N 448.520 0.460 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC(N)=O)C1 1843340310 PZEBTZDOYSEPHD-LSDHHAIUSA-N 435.525 0.553 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844764334 CTKHFRYYMQQTRN-AWEZNQCLSA-N 429.477 0.504 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccncc1=O 1847941928 HFGBUQHARBDOFU-IKGGRYGDSA-N 445.520 0.915 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 29461166 CQKLBXIVPQSBAP-CYBMUJFWSA-N 433.486 0.853 30 20 ICED N#Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32717441 YJQKWTBIVADAAA-UHFFFAOYSA-N 429.502 0.600 30 20 ICED COC[C@@H](CNS(=O)(=O)c1ccccc1C#N)NS(=O)(=O)c1ccccc1C#N 445749301 LSDJJINAJOFTAW-MRXNPFEDSA-N 434.499 0.702 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1=O 467666867 DGZOIUSHYQNTJM-MRXNPFEDSA-N 427.548 0.691 30 20 ICED COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 475423182 QONHQHLKQUBFOW-UHFFFAOYSA-N 428.424 0.529 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 476210681 YNLAGOLNVPGSGL-HXUWFJFHSA-N 444.557 0.771 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C 479371189 ASTHKLAOHODPJM-UHFFFAOYSA-N 427.526 0.891 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)s2)c1=O 482547673 CVKGLMLIPHMHFM-UHFFFAOYSA-N 439.566 0.696 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486481276 UXYCQNPQLLDRDQ-IRXDYDNUSA-N 427.461 0.122 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccccc2)c1=O 488987260 TTXROVGAJATENA-MRXNPFEDSA-N 426.494 0.972 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 492579849 BRFHMMJUTKRKBF-UHFFFAOYSA-N 436.472 0.951 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)nc1 497494022 KKSBKBJWXSEJJW-UHFFFAOYSA-N 426.502 0.312 30 20 ICED CSc1nc(C2CC2)cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C#N 503091665 HEAWEEKQVHYIJW-UHFFFAOYSA-N 441.513 0.986 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1CCC#N 504488272 LEEHYRDIBVDENU-UHFFFAOYSA-N 448.480 0.716 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 506671993 GTLUTRXOVWVWGH-BHYGNILZSA-N 447.517 0.597 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 508232363 WRLRGTOCQPZPBY-INIZCTEOSA-N 445.505 0.067 30 20 ICED CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508350818 SOVUEEIQWXKJRO-UHFFFAOYSA-N 435.238 0.844 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 527030623 UYGOJXIAMOKUPY-GFCCVEGCSA-N 433.436 0.172 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 536598166 PMDJYHLQOMYPAW-OXQOHEQNSA-N 437.518 0.886 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCOC1 549823789 ZHYOGYAPPSQTQU-ZDUSSCGKSA-N 449.479 0.490 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C#N 550482876 SCBBQRJKHFFOQC-UHFFFAOYSA-N 430.494 0.213 30 20 ICED CN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 559975343 ZKOGGGABCRBLDA-LJQANCHMSA-N 426.498 0.912 30 20 ICED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 572902589 JBQQIIBBXAAVMF-UHFFFAOYSA-N 439.520 0.729 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 575144176 NTGYFQOKQJSANB-HNNXBMFYSA-N 430.490 0.669 30 20 ICED COc1cc(NS(C)(=O)=O)ccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 579899765 FRHXIUUYYWLSFE-UHFFFAOYSA-N 438.487 0.855 30 20 ICED CNC(=O)CN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 603882108 ATWZKZVAEMXONJ-UHFFFAOYSA-N 426.477 0.913 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)cc1 611174053 CODFPLHNBGOUGF-UHFFFAOYSA-N 449.577 0.449 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cn1 727161145 QCNMTPWEHGHDIC-UHFFFAOYSA-N 435.509 0.733 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814123 KMSKENHEUZMMKE-UHFFFAOYSA-N 436.541 0.556 30 20 ICED NC(=O)CCn1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 735476405 DGKNNZSWNPISBL-UHFFFAOYSA-N 432.506 0.996 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739124832 WRYHCMYRUILYPU-GGDZBHGVSA-N 449.533 0.598 30 20 ICED C[C@@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742487456 RDXVUNXZVXNHDG-INIZCTEOSA-N 447.561 0.270 30 20 ICED C#CCN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)CC1 745372361 IHDRXOQEIGZGNT-UHFFFAOYSA-N 434.562 0.915 30 20 ICED N#Cc1ccc(Br)c(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 755542392 DBRAUXDMYQCMBI-UHFFFAOYSA-N 441.263 0.769 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(COC)cc2)c1=O 758077922 UXCNGGRYLIVMCC-OAHLLOKOSA-N 425.510 0.344 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc(OCCOC)c2)c1=O 758079170 ZNXQGLXZJQGGCT-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 761024814 PUWKTGHKTRVBPQ-UHFFFAOYSA-N 430.477 0.332 30 20 ICED Cc1cc(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)n([C@H]2CCS(=O)(=O)C2)n1 761213048 SIYANPICXJNNBX-HNNXBMFYSA-N 445.453 0.813 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783360046 ZZNVFXFJPFHZKZ-INIZCTEOSA-N 427.436 0.817 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784184195 CJYOOBDECLNVNA-XHDPSFHLSA-N 429.882 0.473 30 20 ICED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785296560 NUSDMAYJXOXGKL-IZHPTAPOSA-N 435.550 0.989 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(=O)N(C)C)cc1C 808132102 CINATIGYSFCLIM-UHFFFAOYSA-N 449.536 0.734 30 20 ICED CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 808234092 RGRKTPPSKPXHSC-RLBWVDARSA-N 427.461 0.728 30 20 ICED CN(C)c1ncc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1C 811629629 ZDYQVIWQLJLIOV-UHFFFAOYSA-N 437.482 0.861 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3sccc3-n3cnnn3)CC2)o1 915394845 FWNUXPWGDYMPJQ-UHFFFAOYSA-N 428.434 0.398 30 20 ICED C#CCNC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916564015 OVMHONLBXUBXFN-KRWDZBQOSA-N 439.559 0.308 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 918286507 COAIWSWMYLMSIJ-JWGURIENSA-N 435.506 0.177 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 919027763 OLAFHWPGDSDICJ-CYBMUJFWSA-N 429.520 0.934 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 920650495 LCRONEVLGUXGIK-LBPRGKRZSA-N 428.239 0.095 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(F)c2F)N(CCCNS(C)(=O)=O)C1=O 1319518507 LHZJYAWOSQTVHO-GFCCVEGCSA-N 434.490 0.972 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1360240985 XEIAVMLVZRQXGG-GOSISDBHSA-N 444.584 0.704 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1494252635 JXCUQYPORHOPHZ-YWZLYKJASA-N 431.518 0.982 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1508426825 WLESCWXHPRKTFB-PVAVHDDUSA-N 439.586 0.547 30 20 ICED CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541700272 WVLCBWUBOKCYLF-UHFFFAOYSA-N 434.508 0.796 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1611696675 KDUVJOFACVDZJM-CJNGLKHVSA-N 432.572 0.453 30 20 ICED COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1697818987 WDXGCPYWEVUOHZ-WMLDXEAASA-N 434.522 0.812 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1708326818 GEXQTIGYPMIRFO-APWZRJJASA-N 440.570 0.902 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1729409471 KPILXNUDFCQVIJ-INIZCTEOSA-N 426.506 0.865 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1747467119 FXSUSRBJSVMPLO-RKXCMPKHSA-N 443.533 0.711 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779055883 BGGXGXKBABPQDH-AMEKCAKRSA-N 426.477 0.819 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779182485 GZGSCXLGFBNPEK-YCRPNKLZSA-N 426.477 0.119 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779334806 ATKDWXLKEIRVCR-VTJXTGGHSA-N 434.493 0.588 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1780807379 PJKXGVNCLTUYRO-VTJXTGGHSA-N 446.508 0.504 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccc(O)nn3)C2)c1 1781493890 XOGNUQFTPWVBAG-IIBYNOLFSA-N 440.460 0.588 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1782349869 CKFBUDZSQXRCSZ-XSAUMEDDSA-N 438.488 0.340 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@@]3(C1)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC2 1782436557 LDAJHMLQUWRRIC-JOCHJYFZSA-N 428.537 0.634 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1783170193 LYFAJODOZQVVSR-VGOFRKELSA-N 444.557 0.819 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567403 NBCWMPBHBXZSQY-UJUVCNOISA-N 447.488 0.304 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784307696 MSWHHRBMQQCBKE-OSSSZGEJSA-N 448.564 0.375 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CCC1=O 1784979606 FTJPEUFNPZNXJP-MOFWARSWSA-N 449.508 0.103 30 20 ICED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c(=O)nc1O 1785354778 WWSJVHSSSFZFQY-JOCHJYFZSA-N 437.456 0.273 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)ccc1F 1786843719 JHMIIDCPLQENSO-IEZWGBDMSA-N 442.495 0.060 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787498488 OJWDNCCGQIMNQC-QTVXIADOSA-N 433.534 0.462 30 20 ICED CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788659419 MOUPBPBPBPFJME-ACJRDWDUSA-N 448.524 0.981 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)n(C)n1 1788677144 ZXEYUDIGCQAEOA-XPLYWSEASA-N 429.477 0.734 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)c1 1789259532 UWFBMOXDSJTKBO-VDGAXYAQSA-N 438.488 0.842 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C)C2 1792485108 AWYSWOCFJRAWCK-ROAZTASUSA-N 427.501 0.822 30 20 ICED 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)OC 1792576878 WPZVHQPGQBCFMG-YYIAUSFCSA-N 437.537 0.918 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)C[C@H]1CO2 1795419798 BZWRHRXZQLBWNL-KMWNMMNJSA-N 448.520 0.658 30 20 ICED O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795837225 AWVPWZKMHPOWJH-XEMDLRDOSA-N 444.557 0.857 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384610 HAVPRBQYMZFNCR-FAKROUSESA-N 445.501 0.802 30 20 ICED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)cnc2s1 1797065175 CLCNDDXSJVXSMD-MIFYACCESA-N 441.513 0.962 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798486301 RNSYKXLAKSBVDP-NLSWJDMASA-N 433.530 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccc1C=O)C2 1799305256 YOLGEZPDRFVILO-LJCCNALRSA-N 431.489 0.961 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)cc1 1800279303 IQRLVLYOYOQIFY-FEJSZKPUSA-N 442.516 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cccc(O)c1 1800587375 HUSFSBBYKFFTFX-DIAXXQKXSA-N 425.485 0.853 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800784542 LOSVPHOAEGYGOG-KRXQYRFLSA-N 435.477 0.064 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803447061 DTPJDWLXIMTOIL-XFQXTVEOSA-N 432.546 0.829 30 20 ICED CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1803480679 SODOTFYKGXGPDN-XMSQKQJNSA-N 426.517 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccn(C)c2=O)[C@@H]1c1cccnc1 1803831294 TVGWCANGLDFMBV-GGUUDJDBSA-N 449.511 0.958 30 20 ICED O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)C2)C(=O)N1 1806697110 PMBFZGOPZUQUJQ-VVJWVBNBSA-N 449.508 0.298 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CC1 1806847211 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O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196981 ODMUKZYULHNQIM-IBGZPJMESA-N 428.537 0.991 30 20 ICED O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)C(=O)N1 1828911159 DUVIEYZOUWCMCG-UEIZDATPSA-N 446.552 0.630 30 20 ICED O=C([C@@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828914839 WJWHQZIOBOCHAP-YTZHUENFSA-N 449.596 0.728 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1829262463 QZEUJHGEWTWKOV-WZONZLPQSA-N 438.484 0.350 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1829763807 BVPIIYNHXRPYQZ-VWCWDRGUSA-N 449.548 0.100 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1829764401 LEGXIQZOOJBWNA-LXHZQTKUSA-N 446.504 0.149 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1829896710 WJHBEXJWVMLIMF-GGAORHGYSA-N 439.468 0.884 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831216251 HDCPXHTYMBKUAJ-HSZRJFAPSA-N 435.484 0.751 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1OC 1831217879 CHDSEJBBKBHOFN-QFIPXVFZSA-N 429.473 0.582 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1831413717 FZYAJDBMPNYEFU-UGKGYDQZSA-N 434.537 0.958 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c(=O)[nH]c1C 1831485056 MOUIKGRNBSMQJS-OXJNMPFZSA-N 438.550 0.411 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831491033 TVXGUWISJHYZEU-APWZRJJASA-N 429.539 0.240 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)nn1C 1831491663 DBBAKEWIDDEMHC-VQIMIIECSA-N 426.539 0.453 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833481273 VXGFWHAURPNLTO-VFNWGFHPSA-N 435.452 0.338 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833657093 XWCXCNOYPXHGIB-FOIQADDNSA-N 431.518 0.656 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n[nH]1 1833825039 ZQFWLGXUXGBGNH-FOIQADDNSA-N 435.481 0.483 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OC)cn3)CC2)CC1 1834315429 VLNFXLMKDVMXIJ-MRXNPFEDSA-N 429.521 0.709 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834763422 HTSFLGATKMJAQT-HXUWFJFHSA-N 431.449 0.644 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835361566 QOVCPNMGTIVXAD-FQEVSTJZSA-N 432.433 0.983 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042164 RPQDLZCHIZKVTA-QFIPXVFZSA-N 447.557 0.841 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836076266 CPZWANFIYXFEEX-FQEVSTJZSA-N 438.550 0.828 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315703 CHKRRONGQUWOQO-UQQIOGDDSA-N 433.484 0.762 30 20 ICED Cc1c[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1836543398 ZQPLYLDRPSYDHZ-XGVOGHQPSA-N 434.493 0.922 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1836824519 KKNRBUJFCBZPHL-UHFFFAOYSA-N 444.576 0.563 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837599789 XLKHZPVNIIBFSN-JETGKSLASA-N 441.525 0.785 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837701437 NFBAKIHUUJAJNX-HXOBKFHXSA-N 440.500 0.627 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838257189 FQXLPFZNAAEKLP-FOIQADDNSA-N 438.912 0.773 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839222321 KBKXUWZOYMCQRV-PXNSSMCTSA-N 442.582 0.293 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)CCC1 1839625856 LINBDTACKOKRMQ-OAQYLSRUSA-N 442.451 0.632 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811742 MFTIDNKRTFKQJI-YTSMVRMISA-N 447.532 0.864 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839882716 UOLDUTBYFZWCFO-QFIPXVFZSA-N 428.489 0.083 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1cccn1 1840441688 DSJNTWKDQWPASP-WBFUMKGTSA-N 449.508 0.430 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840583625 ZRZYLKJNWVHZCA-UGKGYDQZSA-N 429.521 0.829 30 20 ICED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302883 UXNLTXKFSAYRGA-INKLHFNDSA-N 441.525 0.789 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449093 NAFHDWNKPJVZTQ-CVEARBPZSA-N 449.552 0.348 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)cc1C#N 1846877513 UCASGODRVLVXCN-UHFFFAOYSA-N 439.472 0.714 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 18038988 HSSROFYPHKSGBX-UHFFFAOYSA-N 437.481 0.801 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 28885036 RMCMFGMOSXOLBY-VQTJNVASSA-N 444.557 0.628 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 30707130 YLSNKTNIZVETNY-UHFFFAOYSA-N 445.480 0.814 30 20 ICED CC(C)N(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(C#N)cc1 58396945 QKAIHWOQQKPXBT-UHFFFAOYSA-N 427.549 0.772 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccccc2Br)c1=O 60892055 RRTWAVOAHWRAHA-UHFFFAOYSA-N 449.305 0.965 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCO1 409574401 IRMKEYBWPJGQSU-KBPBESRZSA-N 429.296 0.391 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)NS(=O)(=O)N(C)C[C@H](C)C#N 410401163 KUPUMTPIYOYUSW-OAGGEKHMSA-N 436.604 0.205 30 20 ICED N#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 427872137 XFLKHVDWFSWBCF-UHFFFAOYSA-N 449.533 0.666 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCO1 429983615 CWJWXBFIUMHALH-DGCLKSJQSA-N 448.423 0.369 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 438735361 MYXWEIVVWDAVFM-INIZCTEOSA-N 445.545 0.908 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)CC1 440054414 SUOLILOQUIUOQP-UHFFFAOYSA-N 448.911 0.255 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 440613592 FDIDVGPAENLGBA-LEWJYISDSA-N 445.589 0.200 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443154118 IETNVJWMBDMDRO-GFCCVEGCSA-N 434.396 0.936 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 460578497 SFKKTJVZUNTCDZ-KRWDZBQOSA-N 435.488 1.151 30 20 ICED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465402065 IDBSVYXCJQPIQR-ZDUSSCGKSA-N 437.460 0.991 30 20 ICED N#C[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCC[C@]12CCCCO2 468119286 HFKMOMMGNGLUNI-GHTZIAJQSA-N 446.529 0.875 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 470991656 DZHNZUORRUGPGS-XJKSGUPXSA-N 444.923 0.773 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 489339320 XXHOTQRJKRZSQV-SFDDROGDSA-N 449.558 0.774 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 505752838 KJMDMFRGKGQCSO-SOMHSPELSA-N 438.484 0.566 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 505831389 HOKAXQYYVGBNON-VHFSOBRXSA-N 434.518 0.906 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 507040647 UILXSUOFXDDTAF-UHFFFAOYSA-N 446.533 0.978 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508121692 UDFHDOLVAZYQQJ-QGZVFWFLSA-N 445.501 0.736 30 20 ICED C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508464877 ORJTVRFFWJFHCD-UHFFFAOYSA-N 439.480 0.484 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508915261 WTDVUHBPJDDNFA-UHFFFAOYSA-N 443.537 0.967 30 20 ICED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCCCC1 508976052 CWRABLQJCXGGGE-UHFFFAOYSA-N 435.506 0.254 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 509988362 XALMQFXZDDVPMX-IUDNXUCKSA-N 432.506 0.860 30 20 ICED COCCOC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 514409949 MAISMDUOEAKXGJ-HKUYNNGSSA-N 428.489 0.681 30 20 ICED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 520139598 QAEXZXCJTTVMLE-OAHLLOKOSA-N 434.518 0.322 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 522389409 IJLSXNWYFBZNCF-UHFFFAOYSA-N 446.532 0.909 30 20 ICED COCCn1c(N)c(C(=O)CN2CCCN(c3ccccc3C#N)CC2)c(O)nc1=O 532557699 AGJLCVOWSVPIMN-UHFFFAOYSA-N 426.477 0.444 30 20 ICED CCCn1c(CN(CC#N)CC(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 535208251 VCEOFNSIGPAALU-UHFFFAOYSA-N 449.533 0.966 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 542504735 VLUVFWRKEIGFMB-GXTWGEPZSA-N 448.423 0.369 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3cccnc3=O)CC2)cc1 556879748 SEJQZVUKGSGBEL-UHFFFAOYSA-N 429.502 0.722 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)c2C)no1 559608011 VALYFPHJWXFKDT-UHFFFAOYSA-N 435.448 0.485 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 561121193 LKBGXJIWKSOOMC-NRFANRHFSA-N 427.549 0.820 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)n(C)n1 574428669 CAVGZACQTSTWOQ-OALUTQOASA-N 449.515 0.187 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 585693141 PXNOTFLPKXXEKY-MRXNPFEDSA-N 431.493 0.774 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)c1C#N 588781164 JMWIOXOIMJPLRX-QGZVFWFLSA-N 441.536 0.156 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498181 VSONODWZQWPAOL-FPOVZHCZSA-N 443.523 0.715 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 608912011 ZKOAJQAXIUCDTF-UHFFFAOYSA-N 436.440 0.024 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 609074429 LYYQTBCIRSCIRI-UHFFFAOYSA-N 446.410 0.969 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 615315319 LENFPOFAGHPQKH-GOSISDBHSA-N 445.520 0.045 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3Cl)c(=O)n2C)CC1 619538251 TWBNLAJYPGDQAN-UHFFFAOYSA-N 446.960 0.776 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 619538687 RZXPKOQSSNEXTI-UHFFFAOYSA-N 446.488 0.847 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 728590048 TURCLNZMDGAPRI-UHFFFAOYSA-N 445.295 0.413 30 20 ICED COc1ccc(OC)c(CN(CCO)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 732292101 IAIOQFZENGCPAO-UHFFFAOYSA-N 433.486 0.763 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 732665172 ZFCPFGAEBUSECU-UHFFFAOYSA-N 431.587 0.749 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)nc1 733891896 VFXACLZAOHXJNJ-FMQUCBEESA-N 427.461 0.823 30 20 ICED C[C@H](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742469578 DAENBMBIOOGJEX-GFCCVEGCSA-N 436.515 0.468 30 20 ICED C[C@H](CC(=O)NCC(=O)N(C)CCc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 742626457 PEKRAKUSOWUPNC-OAHLLOKOSA-N 443.529 0.716 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758776118 LSDLYIKNYQBYMH-DZGCQCFKSA-N 429.543 0.859 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(-n2cnnn2)ccc1Cl 761171036 KKLDKRDRAWLSCO-ISLYRVAYSA-N 445.823 0.714 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCS(=O)(=O)CC2CC2)C1=O 764889332 NVCGYPJPAGMLKH-AWEZNQCLSA-N 440.547 0.983 30 20 ICED COCCN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 768879526 XQLDUGGAIZHEIF-HEHNFIMWSA-N 437.522 0.822 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NS(=O)(=O)CC1(C#N)CCC1 771072562 XSACETJLCWUAIU-UHFFFAOYSA-N 429.466 0.004 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCc3ccncc3)cc2)c(=O)n(C)c1=O 771890336 PLISBLNPAINJSE-UHFFFAOYSA-N 429.458 0.370 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCCO1 775794247 HEAFJLKSYYAERR-ROUUACIJSA-N 449.529 0.061 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)nc12 782356557 YYWVDHGSEATUMI-NRFANRHFSA-N 432.396 0.743 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 783462185 LFVBMAWCEJKTNL-UHFFFAOYSA-N 433.424 0.413 30 20 ICED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)NC1(C#N)CCC1 787563511 HJQHRQYRYQCTSX-CYBMUJFWSA-N 439.465 0.954 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 794638280 CEHGHJVLIRTEHC-OAHLLOKOSA-N 437.481 0.742 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1ccccc1 891256955 CGSHXRPCOPBBON-UHFFFAOYSA-N 436.515 0.210 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685357 GDJUROZYTOJFQA-LJQANCHMSA-N 436.490 0.018 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C)s2)c1=O 917761281 JPMXTZZILPMAHV-UHFFFAOYSA-N 436.559 0.367 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 1116477831 NCNIYYGGWDALOM-GJZGRUSLSA-N 440.595 0.502 30 20 ICED N#Cc1cn(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1156183311 PTPAJMMBUUAYCC-ZDUSSCGKSA-N 432.234 0.505 30 20 ICED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1187602584 NIKXDVMPJIQFRR-UHFFFAOYSA-N 428.467 0.830 30 20 ICED CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314675717 QMKLWVMWVHZJMN-UHFFFAOYSA-N 444.565 0.715 30 20 ICED Cc1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 1319269962 LXNLIVSNJBJARO-UHFFFAOYSA-N 449.510 0.895 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCC1=O 1319894421 OPALQFIIFIGWOM-HOCLYGCPSA-N 436.534 0.383 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCC2 1360676113 LGYQAPIDPDTZMG-CYBMUJFWSA-N 433.542 0.604 30 20 ICED N#Cc1cn(CCNS(=O)(=O)c2cc(Br)cc3c2OCC3)c(=O)nc1O 1475510545 VUJKBARLVZWITO-UHFFFAOYSA-N 441.263 0.496 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1503709381 SKWGGCJHRPFXAB-INIZCTEOSA-N 439.520 0.884 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1566410197 UXFHRUZZASWDRD-HUUCEWRRSA-N 444.517 0.358 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1Br 1669645686 QJKKSILTADYSJY-KBPBESRZSA-N 435.321 0.897 30 20 ICED CS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1731020572 UVSPCLQJDGGIGW-XJKSGUPXSA-N 434.478 0.069 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cn[nH]c1 1741675232 UDJXDBOJDCHPFR-UHFFFAOYSA-N 434.508 0.975 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1750060710 IXGRLRVXTBCSBV-HUUCEWRRSA-N 427.575 0.595 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760306892 LAQPLEYRPHCOHS-NWDGAFQWSA-N 432.344 0.756 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCO2)C1 1770349619 PPYYDOPBHYDURJ-IRXDYDNUSA-N 438.554 0.920 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1778975151 MIWGQDOLJWVQRS-AUSIDOKSSA-N 445.564 0.735 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1779068175 HEOJSYWCPIVBTJ-BXWFABGCSA-N 430.523 0.266 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1779100470 CDCVZSAGPGSZEO-RNWBSVKLSA-N 435.481 0.713 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1780091442 PPCSPFWTBRGDIQ-XMSQKQJNSA-N 425.441 0.782 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156039 YUYUOEUBOWXVLK-SBUREZEXSA-N 444.484 0.318 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1780735293 QJXMBIXDVOYSDL-IIBYNOLFSA-N 432.477 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781051222 OYAWITNTYDEEJE-CDUUTZIUSA-N 444.532 0.076 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1781268318 NHVOCCZZPMKTFO-NRFANRHFSA-N 443.460 0.388 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781296783 VMPNIFFXRCPPLL-ZHRRBRCNSA-N 449.504 0.764 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1781792251 WMKRKHGWNOLGFM-RXVVDRJESA-N 431.514 0.773 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782518673 JUTOQMWIHVRLPO-VGOFRKELSA-N 444.536 0.651 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2cnccn2)C1 1782615581 FGCMBINSEHBHSB-MMCCTWCUSA-N 439.516 0.862 30 20 ICED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1783144285 OAKRTICLAKMKIG-LJQANCHMSA-N 449.305 0.900 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc3cccnc3cc1F)CCO2 1783566022 VVNCMEAVYDGRDB-JOCHJYFZSA-N 425.416 0.834 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1784038602 HYUNFKCMAGSIDA-UZUQRXQVSA-N 440.500 0.465 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1784483793 MIVLYJUIXLUYMD-FKKBTLCVSA-N 441.484 0.649 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1784484501 WHZRBARYWLARHO-VERUCKTNSA-N 440.500 0.687 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784605216 QXDZLBABOPCXSP-WMEZAQDKSA-N 428.489 0.428 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784876670 XFWHLFOPEJOWLM-WZTLGTBRSA-N 436.427 0.789 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1785016197 RPCAANWJLRIMNH-ZOBUZTSGSA-N 443.529 0.602 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)C[C@@H]21 1791073089 LQYWEBRDBJNYHF-FMKPBVRQSA-N 426.469 0.350 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792423079 UJHCBBKGPLXDCA-OPMZPASUSA-N 445.541 0.987 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc4ncnn4c2)C3)cc1 1792559257 SNZWWDKYGDWCNI-IRJINJETSA-N 444.495 0.976 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793208401 CNQDBUDGYNAWMY-ILCCUAOLSA-N 431.558 0.943 30 20 ICED 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)CC#N 1795084025 RPXQRXMVYHMBLO-BECBKZTQSA-N 448.520 0.248 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc1C#N 1795539606 JHUZREYYINXZKP-HGKCTWBKSA-N 428.493 0.032 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2)[C@@H]1SC(=N)NC1=O 1796426902 KPMKLWMBXFKWHJ-UFRBAHOGSA-N 441.513 0.564 30 20 ICED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)o1 1797747498 TVQIQEPQZWSFBB-COHUGYILSA-N 431.493 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=C2c3ccccc3C(=O)N2CC1 1798448145 MLEUKFBKHCRBGK-OPOADAIRSA-N 449.507 0.885 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694986 PNFNFXQUOFOTJE-XEMDLRDOSA-N 434.493 0.159 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1799302572 FHGWPTAJCMFIPA-VPTLXERWSA-N 441.488 0.530 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800134335 ROSFZNXSICTXLL-ZJOBFFGXSA-N 432.456 0.873 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801365954 GVCCWPPFZMTTSS-YNNUGWCRSA-N 429.521 0.910 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1801766602 VIODLWPQIZDEFC-NYYTWLDWSA-N 439.472 0.069 30 20 ICED CO[C@H](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 1801986564 RFCYMDKWMMSUIQ-NSIVTLKISA-N 437.493 0.641 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802681591 RXGIYQLLERDKBX-YLJYHZDGSA-N 445.520 0.868 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@H]1c1cccnc1 1802895379 XBORLZLVSBUYEA-JJJJLYANSA-N 434.496 0.900 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1803570499 WNGDBPQCISJVNI-SIXWZSSISA-N 438.488 0.881 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1803571492 PZMITPLHLIXBIV-KYJSFNMBSA-N 432.477 0.222 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1804093997 LVVMMTHKILCCJG-GHTZIAJQSA-N 446.467 0.825 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806617623 SIYYQHGNSYNYCC-MIZPHKNDSA-N 433.512 0.732 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807148728 XRORGXFUTSXCRT-CADBVGFASA-N 428.537 0.092 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807611594 WCIFLZRZXOSAEU-NQFYQGIVSA-N 425.497 0.246 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)ccn1 1808927351 XQXXSBNJELBREC-LAUBAEHRSA-N 435.440 0.843 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810346612 CXRVQCSREWPNGJ-SLYNCCJLSA-N 434.562 0.657 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811533839 UVERUNYSKPTJTK-KXBFYZLASA-N 435.444 0.153 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1819468885 YLEJBKFPZRJEKB-MGPLVRAMSA-N 432.462 0.633 30 20 ICED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)CN)C3)C2)CC1 1828921015 IRQTWFWBWQVILZ-QFIPXVFZSA-N 425.489 0.701 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CCO2 1830997783 NUUDKWRQDDHHQX-JKSBSHDWSA-N 435.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831401651 DGSGNWDPKKKCBS-FDDCHVKYSA-N 441.484 0.432 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1831409595 VSKHQFKQZPZBKO-LAUBAEHRSA-N 440.541 0.133 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1831420108 RQQJAKKXLAWECV-DHJUGAMNSA-N 448.516 0.776 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1831420515 WBMXSRNNELAURC-UZUQRXQVSA-N 448.516 0.991 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993966 OLTWTWNLNWWIKZ-IERDGZPVSA-N 441.525 0.976 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120475 IDIPIMUIKKKFNK-IQTGRTGDSA-N 427.461 0.188 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n(C)n1 1833448172 YBMIUGZQSHWOCO-QFIPXVFZSA-N 439.472 0.684 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1835102898 PPDOZEOQPLQXSY-KNQAVFIVSA-N 446.525 0.072 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5c(F)cccc5n4)C3)C2)CC1 1835346617 KQCGHLGLPNNDAJ-NRFANRHFSA-N 427.436 0.847 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835827536 RSOFIRRZKIQJMG-WIYYLYMNSA-N 434.562 0.847 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1836484334 STEPXIBUWKNMEL-XMSQKQJNSA-N 443.504 0.384 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836908067 QUKQFUAYXXRYDU-INIZCTEOSA-N 435.569 0.778 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492154 BKERQTKEWZLQLU-XXBNENTESA-N 435.565 0.482 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837525809 ZJDHCYIGTZEMPX-UAOQYHQXSA-N 435.481 0.019 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)s1 1837562210 HSZFRKNZTZLNNM-KQBANSRISA-N 447.517 0.558 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837944495 DAPYTCPEHBWEJQ-IBGZPJMESA-N 436.490 0.164 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503473 WLLLJPQMZWFCRD-KSFYIVLOSA-N 441.488 0.372 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906122 RWOAIQWYBSACPV-HSZRJFAPSA-N 439.516 0.910 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951515 UBUVLVUVGDGLKG-KSFYIVLOSA-N 443.504 0.336 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839222175 GIYIGCZUWFYDRZ-VPWXQRGCSA-N 426.514 0.158 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350829 BPKSBHSBTRRWNV-JPYJTQIMSA-N 445.516 0.429 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371827 QWKMJYLIIALLAY-YLJYHZDGSA-N 440.518 0.828 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1)C(F)(F)F 1839893781 PTDZKVXLNXBGEF-QGZVFWFLSA-N 432.399 0.617 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017958 NJNLYVUTUJIRDL-DKLXNKCPSA-N 437.496 0.766 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cnnn1 1840478809 BYIJZQUNUZSJOH-JLTOFOAXSA-N 443.439 0.015 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1840715804 NGGVDBMWWRBJCJ-HTAPYJJXSA-N 438.488 0.675 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)CCC1 1840815508 UNWSSTBEIGILPV-OAQYLSRUSA-N 431.445 0.567 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875087 CBCJEASTNZULTC-CVDCTZTESA-N 434.533 0.568 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841115837 RVFHGYRMGIUWCP-JKSUJKDBSA-N 432.521 0.633 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1846415295 HQFQYIXHPDFDOQ-AEFFLSMTSA-N 438.484 0.691 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1C#N 1846879661 AXYDONXPWXJWOZ-OAQYLSRUSA-N 442.516 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847802160 NDWLBQUHWHNTSX-ZSXDVEMLSA-N 449.548 0.844 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1=O 27581040 MRAAJZKJIRBYGJ-CQSZACIVSA-N 430.461 0.438 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 427496256 VHSIQJQAEDSAPC-GFCCVEGCSA-N 435.366 0.604 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)n2)c(Cl)c1 438719356 FVOVEMORSAYKDK-INIZCTEOSA-N 436.859 1.549 30 20 ICED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 439567179 WNZHGIUDEUQHCL-AWEZNQCLSA-N 437.522 0.378 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1=O 440260766 ZVSKDURZPDSRLS-LJQANCHMSA-N 441.532 0.187 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 446517205 DUMQDGPGWAIHQM-LAQRGFTBSA-N 429.498 0.688 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1Cc1ccccn1 446801314 JUHQTNJFJJZGLM-OAHLLOKOSA-N 431.460 0.664 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cn1 460599917 SSXKHRIOESLMRG-GOSISDBHSA-N 429.440 0.995 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@@H]3C#N)CC2)c1 464801509 GKHVYHKULPAQOP-SFHVURJKSA-N 448.545 0.668 30 20 ICED Cc1c(NC(=O)CSCC(=O)N2CCOC[C@H]2C#N)c(=O)n(-c2ccccc2)n1C 464801766 JDYXZAGDLMBJIH-MRXNPFEDSA-N 429.502 0.907 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)n1 479366740 QKRGIIHJJPJZKJ-CQSZACIVSA-N 428.514 0.378 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C 480345977 BKPYJVCFQJNECW-UHFFFAOYSA-N 436.331 0.865 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 482778528 GMIFIWGYKZNBGT-UHFFFAOYSA-N 434.453 0.362 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498991535 PEWQDPVSUZLQMA-UHOFOFEASA-N 438.575 0.211 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508642365 WWPRYYGHLBIVEG-GOSISDBHSA-N 440.504 0.432 30 20 ICED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508845690 OXMXELIJFSDIFM-AWEZNQCLSA-N 436.494 0.518 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@H](S(N)(=O)=O)C1)CCCC2 538964280 KQVSJXKNLOAYHL-CABCVRRESA-N 435.550 0.719 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 544872292 DNNXQYXVICBZGR-GXTWGEPZSA-N 432.462 0.077 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 548821909 JKZMWDACWIIVGC-UHFFFAOYSA-N 441.553 0.925 30 20 ICED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 555896345 NBSHAOKQCBCZNF-QUCCMNQESA-N 432.484 0.548 30 20 ICED COCCN(C(=O)CN1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 572891072 SIDXUSYHZCYYGF-HNNXBMFYSA-N 441.579 0.107 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)cc1 572968052 ZDZUEEOWFMNUEL-CQSZACIVSA-N 435.506 1.474 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3cn4ccccc4n3)C2=O)cc1 578225446 HURBQEWIQKIOHH-LJQANCHMSA-N 430.468 0.782 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 585704504 YZHIWRUJFKUMKY-UHFFFAOYSA-N 441.513 0.302 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CS(=O)(=O)Cc4ccc(C#N)cc4)CC3)ncnc21 603785186 ZMLBFJIIQFFLIW-UHFFFAOYSA-N 439.501 0.499 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 604513917 YBIJKAYRVNMQFO-UHFFFAOYSA-N 426.462 0.910 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538817 BUTSJKJWIBTZPE-UHFFFAOYSA-N 425.491 0.981 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccs2)c1=O 684535580 SDORKSNVVXSDQK-CYBMUJFWSA-N 431.539 0.558 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C(=O)N1CCS(=O)(=O)CC1 732910450 PUSRKFVOBHIRQG-AEFFLSMTSA-N 429.498 0.494 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOC 742144164 XSIRXKHBRJEQIN-UHFFFAOYSA-N 426.498 0.466 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c1 747932559 YLPFXXXAOVUQCI-JVMRMLDLSA-N 428.445 0.842 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc3c(c2)oc(=O)n3C)CC1 754945179 SXLUKRDLCJRSIZ-UHFFFAOYSA-N 430.490 0.909 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 755549537 HICQSBUYGYSZBR-HIFRSBDPSA-N 445.476 0.755 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@@H](O)c4nccn4C)CC3)CC2)o1 760875357 CGEAQMKSUQTENZ-LJQANCHMSA-N 427.509 0.682 30 20 ICED CNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 761629919 OEMCIHUCZHQXQV-OQKWZONESA-N 436.538 0.395 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 761915075 KDROYFJLMJTAOM-HZPDHXFCSA-N 435.502 0.265 30 20 ICED CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 763151719 DPTVKQNMOQTUSO-FQBHQIBISA-N 447.521 0.996 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)CC1 770949109 AFGROFZXCHKYIC-QGZVFWFLSA-N 426.546 0.862 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 772585881 BBTJARSFVKQGLE-KDOFPFPSSA-N 431.518 0.931 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 783002060 BRNPUERXDYSAAC-UHFFFAOYSA-N 444.579 0.023 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 783347345 JAFMKCRVDPPKKN-UHFFFAOYSA-N 433.483 0.021 30 20 ICED C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786068621 CHDUFRFKKYEYMA-IAQYHMDHSA-N 429.389 0.495 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786569831 MIJMZHLSYOAVKO-RDBSUJKOSA-N 439.440 0.325 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)C1=O 799176037 BHUHXFXTHAEDGB-KKSFZXQISA-N 429.477 0.212 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(CCOc3ccc(F)cc3)c2C)CC1 800482637 KKLLKXYZSSWBIS-UHFFFAOYSA-N 442.495 0.702 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCCn2cc(C(N)=O)nn2)CC1 805946058 SKVIPKGIIBJTMN-UHFFFAOYSA-N 425.405 0.956 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)n1 808346618 IGHOFHGYCLHUAM-LEWJYISDSA-N 445.564 0.375 30 20 ICED C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC)[C@H]1CCS(=O)(=O)C1 812118083 QVAUCBKXPUFHEM-INIZCTEOSA-N 432.502 0.989 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCNC(=O)CC2)CC1 815419093 NQTJIXZVBNFPBE-CQSZACIVSA-N 441.444 0.914 30 20 ICED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815871755 UCOHZPNLICEDEN-NLFAIWHDSA-N 435.550 0.991 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839237645 OIRFFIBZHKFOOQ-UHFFFAOYSA-N 435.509 0.303 30 20 ICED C[C@@H](CC(=O)Nc1ccn(CCN2CCNC2=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 1178535916 ZAGXZONWLQXLLV-ZDUSSCGKSA-N 445.505 0.364 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1245974071 SPNDNBHAZPGURL-OALUTQOASA-N 442.568 0.365 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1294887791 JYTWLEKPXVVFDW-UHFFFAOYSA-N 447.503 0.930 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1296649519 HFWMDUBQOMPJAM-PGRDOPGGSA-N 445.568 0.879 30 20 ICED CNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1338998924 MPXUUNXXRYNCJQ-LJQANCHMSA-N 426.498 0.926 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509636550 TVUARMWNZVBNEL-MRXNPFEDSA-N 437.570 0.828 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1513915955 RGVKYJJJTHQKFY-SFHVURJKSA-N 438.536 0.929 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1596250897 WTSGFPYAQRSIDT-UHFFFAOYSA-N 425.493 0.876 30 20 ICED N#Cc1cc(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cn1 1614570349 SHKQMBGTNUCXPS-UHFFFAOYSA-N 437.865 0.428 30 20 ICED CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1617568587 QYXBXHRJSXGPCK-MRXNPFEDSA-N 429.525 0.778 30 20 ICED COc1ccc(NC(=O)CN2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1643573776 VPRRPDQSBOHBSO-LJQANCHMSA-N 438.506 0.005 30 20 ICED C[C@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1692663988 NISUUGGWBBCLQV-RCJHGTSTSA-N 440.570 0.900 30 20 ICED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1706004383 LECOGHIPTXIZFS-JOCHJYFZSA-N 442.568 0.695 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1710973366 WBSVMNGXGOIZQW-SJLPKXTDSA-N 439.524 0.407 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1729691356 XZUROBCQTVBDPI-SFHVURJKSA-N 436.476 0.462 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1767784224 QPMCHHROAICBKS-YCRPNKLZSA-N 428.493 0.841 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779020305 KHJFNHNQBBIYDG-IIHIVLJSSA-N 429.477 0.726 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1779037554 CMACLHQSLGONEZ-OAQYLSRUSA-N 447.536 0.554 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779069060 KAPOHXBFUXYVPD-HSZRJFAPSA-N 427.501 0.858 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779104718 DQEJDDHMDVZCJC-QEPGBGQSSA-N 436.509 0.358 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781350956 HRSQMIFFXQZQQH-QVKFZJNVSA-N 436.509 0.396 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1cnnn1 1782603948 VOCGADKJMSTILR-BZLZVXNVSA-N 432.529 0.220 30 20 ICED C=CCO[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 1784502923 KPZHZRBOXJDGJN-PLZKBRGSSA-N 438.550 0.360 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1784592015 UIJVMDHGSQVUMG-TTYHFUOFSA-N 426.517 0.982 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCCC4=O)[C@H]3C2)c1 1786734610 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431.514 0.979 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1795598275 MJPZAEMAVAXBHJ-HGKCTWBKSA-N 442.516 0.943 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796426590 KCXSPZRLGLNPOL-LACSLYJWSA-N 439.538 0.179 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797246102 XXUQQMFATUVRRI-XAPVIXHLSA-N 426.517 0.781 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797712688 ROMBLMDDMGFJRE-RCLSDMTESA-N 443.544 0.969 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(OC)nn2)C3)c1 1798578420 MCLYVNCXADSCBE-CWPLJXCYSA-N 437.456 0.882 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799335619 ZTEWMMKRLSNSQZ-KYHPRHEASA-N 441.525 0.054 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(N3CCN(C)CC3)CC1)C2 1800110036 QZJONHIUMLZGEM-REPLKXPHSA-N 432.565 0.914 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)O1 1803647261 XMQWNZRBGSUSDQ-BJLQDIEVSA-N 440.500 0.894 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807142788 GDSSYAQWNSLGCW-PKOBYXMFSA-N 443.552 0.640 30 20 ICED CN(CC(=O)N1CCC2(CCCN(C(=O)C#Cc3ccccc3)C2)CC1)C(=O)C(=O)O 1809295148 GKUNYPYDBDNGRX-UHFFFAOYSA-N 425.485 0.812 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CN1 1812639130 GSBISGNNZSTWAM-CNNODRBYSA-N 438.528 0.922 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814417611 FLRKVJHQBSAPKV-QSLAPCDASA-N 435.506 0.863 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)cc1 1814768244 WEXODKKWEXPDAD-CYBMUJFWSA-N 449.429 0.965 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825660381 IELFRIGXSZMWJN-LBPRGKRZSA-N 447.494 0.860 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826139464 RXVWTEXHZNUPRN-ZJUUUORDSA-N 432.424 0.772 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968455 RPGNYSGSKUZYJE-AIRWSSAZSA-N 449.596 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1829765207 MMBFTZSZYLMWAI-UFTUAFODSA-N 441.484 0.184 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1829768773 GOZQUDASRJSZAL-QJKPHDSHSA-N 445.520 0.462 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907304 GACUSJVFYFDZRI-QHCPKHFHSA-N 437.500 0.762 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c(C)n2n1 1831213313 LUXGYHUZZOWUHV-QFIPXVFZSA-N 438.488 0.225 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n1 1831490830 MKUNJIDAPZQKKF-PXNSSMCTSA-N 440.566 0.554 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1832967911 NJGGBSOYQCOZCK-XZEIMLRBSA-N 449.577 0.922 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833391072 OLTANQAHLCOCPD-JOCHJYFZSA-N 430.505 0.650 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1833469207 MKMFPKKSKRLOFG-OPAMFIHVSA-N 437.537 0.212 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2)C(F)(F)F 1833573569 JDZXQXHPSKSMES-KRWDZBQOSA-N 448.373 0.971 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cc3ncccn3)CC2)CC1 1834715603 VAPKKHVDKYTBHM-UHFFFAOYSA-N 441.580 0.873 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)CC1 1835341084 OOHNOQHXHQIHRM-XMSQKQJNSA-N 427.457 0.587 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422426 YAAZVXZDKNGVNM-GQBVICOWSA-N 436.553 0.731 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c(O)n1 1835429082 UAJDTLWFUSNKII-JOCHJYFZSA-N 446.504 0.064 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3C=CCN3)CCO4)c2c1 1836481042 NINUQUVDZLKIGM-PGRDOPGGSA-N 436.472 0.033 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838336410 GNJYAEWHTJLPEP-MHRHTVJOSA-N 428.445 0.102 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1 1839174729 TYEJQNKSBFLKCJ-UQASEVPWSA-N 425.526 0.326 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839224733 XQIVAJQIHVOHDX-IERDGZPVSA-N 434.493 0.256 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839224997 VHRONFXVIZOUCJ-QVKFZJNVSA-N 444.492 0.829 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273866 RMNJCIHRBKXTIW-FQEVSTJZSA-N 432.433 0.920 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1839361471 MRFIZFHVFXVPSB-QHCPKHFHSA-N 435.484 0.855 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450793 HLRBWNOSJHYZGU-GAJHUEQPSA-N 442.516 0.851 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839885835 URUCAVYPJWAFIY-OAQYLSRUSA-N 432.452 0.294 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1)C(F)(F)F 1839891690 SGORZQZWWHKYRF-GOSISDBHSA-N 435.443 0.724 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540654 BMQGYMMNHCYITP-GCJKJVERSA-N 429.473 0.430 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840580008 ZQDSAUMMPFHDMZ-OXJNMPFZSA-N 426.535 0.848 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1840870779 ZZNNCICMHAXDRE-JOCHJYFZSA-N 440.456 0.040 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 426682400 IDUZRALJQHZJGD-UHFFFAOYSA-N 448.483 0.776 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426825172 PSFSAKACPICKAQ-LBPRGKRZSA-N 428.478 0.795 30 20 ICED Cn1nc(NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC(F)F 426930605 CBKAQAXBKDMCDM-GIGQVBGESA-N 430.371 0.832 30 20 ICED N#Cc1ccc(N2CCN(CC(O)CN3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 447158616 QWJMIUMWIIVWKL-UHFFFAOYSA-N 432.532 0.525 30 20 ICED Cc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1S(=O)(=O)NCC#N 448263351 JXGOPFBPKGHCTO-HXUWFJFHSA-N 442.541 0.946 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 460954297 CDZWYVRONQXYLG-GJZGRUSLSA-N 449.599 0.494 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 461460651 OLUDMHBCNYDSNS-NSHDSACASA-N 438.487 0.477 30 20 ICED CN(CC(=O)N[C@@H]1CCCc2nc(O)c(C(N)=O)cc21)S(=O)(=O)c1ccc(C#N)cc1 480400238 BEUJPXVGLSWSHS-MRXNPFEDSA-N 443.485 0.572 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(OC)c1 497594164 RGVXEXMYCCIUMI-IBGZPJMESA-N 447.532 0.166 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1=O 499805127 ATYQADJYQQDNHJ-QTPGKHNVSA-N 425.445 0.205 30 20 ICED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 502901109 ZYJYOTQPEBKROA-MRXNPFEDSA-N 449.558 0.569 30 20 ICED C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508505217 MPONXTNYRXBXCW-OAHLLOKOSA-N 426.477 0.685 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 510899925 GQQLGGJUBRYBOB-UHFFFAOYSA-N 441.448 0.542 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 514552248 SLNJLDXRXAXOEM-QGZVFWFLSA-N 447.513 0.988 30 20 ICED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 518231686 LRBJCQROFRXBKT-AWEZNQCLSA-N 449.475 0.185 30 20 ICED CCc1nn(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c(=O)c(C#N)c1CC 518382064 LIUGKZKZHLVZNM-GFCCVEGCSA-N 429.502 0.865 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3C(=O)CNC3=O)CC2)cc1 521722500 GCVONYBVYLOBDK-UHFFFAOYSA-N 433.490 0.017 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 531755373 WUTGSIONVULMFM-UHFFFAOYSA-N 436.896 0.607 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533494363 AORRZUUAWIYJLM-HNNXBMFYSA-N 428.493 0.386 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 538424646 NDDWBSMBCLTJQI-UHFFFAOYSA-N 441.311 0.978 30 20 ICED CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 539927814 UOONPHSHDWCKCN-INIZCTEOSA-N 436.534 0.966 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 543241229 KQKWPLCXOJBIFR-LJQANCHMSA-N 431.537 0.910 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 550522383 AITWJYICTDEEAD-UHFFFAOYSA-N 442.497 0.377 30 20 ICED C=CCCC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 556181413 QRPPAUIAHJBQDW-QGZVFWFLSA-N 437.566 0.511 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 564428687 YJOUGJMFFQGRTK-UHFFFAOYSA-N 441.513 0.302 30 20 ICED C[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCCC[C@H]1C 587647225 HIVBYWVOOPXUIH-CVEARBPZSA-N 426.521 0.944 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 609749573 GICGKHXBZGHIAG-OAHLLOKOSA-N 429.458 0.834 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 610208894 BZQDWBQMIYLVCN-UHFFFAOYSA-N 448.526 0.908 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 728534500 NMUAOWGIKXGRGD-UHFFFAOYSA-N 425.533 0.692 30 20 ICED CSC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732156405 MPTZFTYTINESSS-BSYAPOIXSA-N 434.518 0.536 30 20 ICED C[C@H](OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N(C)CCC#N 754604537 HLJYQPUUXMVHQR-YOEHRIQHSA-N 427.461 0.840 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 760973674 JMDMXOPZPLBBFS-ZDUSSCGKSA-N 446.489 0.357 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 761933942 JKOZMJBSCMNSIV-UHFFFAOYSA-N 442.497 0.430 30 20 ICED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 763423238 IITURYZVKCGYDE-ZWKOTPCHSA-N 434.460 0.926 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCc1ccccc1 767627585 ABQIDPWRFOTJKH-AWEZNQCLSA-N 444.469 0.794 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c2ccccc21 769887033 RIAWGYJBRQOJAN-UHFFFAOYSA-N 427.511 0.351 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc21 777874973 PIRZWYNVQONRNO-UHFFFAOYSA-N 428.470 0.899 30 20 ICED C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780215206 QDWGSFPMZHFORO-UGSOOPFHSA-N 431.470 0.530 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)c1 783464182 MZBJSCJCSDGEMJ-UHFFFAOYSA-N 428.470 0.571 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccnc2F)CC1 789007251 LIUHNZQFVKRNIC-UHFFFAOYSA-N 432.433 0.782 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 813984241 QZOCZIJDUBQJRS-UHFFFAOYSA-N 436.471 0.093 30 20 ICED CCOC(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 915369049 VECXLWCCISOZMY-UHFFFAOYSA-N 433.465 0.915 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1316348990 RTZXQPMWLAOCBF-INIZCTEOSA-N 430.490 0.892 30 20 ICED COc1nc(Cl)c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1C 1324924608 ATNJMXBTAAIGEU-UHFFFAOYSA-N 427.918 0.859 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 1478405151 YPGAPXNCIJLOEC-HIFRSBDPSA-N 427.527 0.565 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541607265 KOKLPQJSMJMCPY-SJLPKXTDSA-N 435.598 0.697 30 20 ICED Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1543411035 WXVUASQQSTYHKM-MLGOLLRUSA-N 437.526 0.860 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1554505490 VZXUXTKKGTWHHT-OAHLLOKOSA-N 427.490 0.771 30 20 ICED CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1587068205 ORSKOJSILNIAQY-UHFFFAOYSA-N 432.506 0.706 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(c1nccn1C)c1nccn1C 1629669357 MUFWABVSRCUATA-CYBMUJFWSA-N 427.490 0.598 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1641699255 VZZNTTQZONONBW-HNNXBMFYSA-N 429.502 0.575 30 20 ICED CCN1CCN(Cc2ccccc2CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1665536685 MXDLMXOSBFFHDN-UHFFFAOYSA-N 439.520 0.457 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1707951315 IZVMHWQKWDAWOF-CQSZACIVSA-N 431.522 0.375 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1763267385 MHDPXNKRSBDNDD-GZRFBZBPSA-N 431.518 0.980 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779941171 CBMCRICAZIKLED-PDSXEYIOSA-N 446.508 0.504 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781110765 ZHKWXDIJEWWYOQ-LJQANCHMSA-N 426.508 0.808 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1781689031 GTGBOKIVXCHQPK-KALSDKHNSA-N 427.501 0.313 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782203469 VYFRZSJNUDBSQQ-IMAQQZIHSA-N 426.510 0.707 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046728 USCITSGYOHKFEH-WYBMLIEISA-N 441.550 0.111 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(C#N)c1 1783178800 QJULQMCCGHRILP-NYHFZMIOSA-N 428.489 0.464 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1783530905 SRTDBWGRXUQYQQ-LQHLUTLQSA-N 438.488 0.181 30 20 ICED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1784261752 IOTUTHFGAQPDBS-HXUWFJFHSA-N 426.433 0.234 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cnn(C)c4)C3)C2)c(C#N)c1 1784577003 KXVPNEYGJIHMPT-HSZRJFAPSA-N 437.500 0.915 30 20 ICED CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n[nH]1 1786857163 CKXPFCBYMVFJMD-MPGHIAIKSA-N 430.509 0.487 30 20 ICED COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786857304 KFPZUZFOVSRMLJ-BQFCYCMXSA-N 429.521 0.965 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NO[C@@H](c4ccccc4)C3)[C@H]2C1 1788143233 SIMOVQAJSFZBGF-DKKFBQAASA-N 425.441 0.572 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1788600887 HJVVVJXAFYPOOX-YMZMDHBOSA-N 439.520 0.794 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632179 JOCOCJRWBKTTEM-VXZJRHCLSA-N 438.590 0.823 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(cnn3C)c1)C2 1792489144 JNDYHSSUNWZGSW-MZNTUGIBSA-N 437.500 0.635 30 20 ICED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1795465283 DPTPYFANZORHSW-MIFYACCESA-N 449.305 0.612 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCSC(=N)N)c(C#N)c1 1795590727 CDWUPUPBEHIQFH-CWPLJXCYSA-N 445.545 0.716 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796211023 IVUMTBFZQWYRHH-XOIINTDNSA-N 425.493 0.443 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1797783757 GTVMJMWMAZVSOX-USGNIVHTSA-N 444.484 0.705 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(-c2ccncn2)noc1C 1798487567 FACILZJAQGACGW-OAFZBRQQSA-N 439.472 0.682 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798576247 IUDLLZLMGFMBSI-NYYTWLDWSA-N 428.489 0.685 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)Cn3ccncc3=O)[C@@H]2c2cccnc2)c1 1812343603 DTYIXCDWYRQSGV-UWJYYQICSA-N 431.456 0.858 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812348614 LXERZBFYGSYIAH-XPIZARPCSA-N 449.467 0.389 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389234 XUKQYYMWRCUFPA-QAPCUYQASA-N 434.518 0.550 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815063356 CZDRAINYNSZMCW-KBPBESRZSA-N 426.502 0.833 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822920682 MEZSKVZTIWQACD-NSHDSACASA-N 449.489 0.116 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826820802 NBHILVOSOSKFKH-ZWKOTPCHSA-N 436.553 0.708 30 20 ICED C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2)n1cnnn1 1826972091 KTYLSYDVHOIXGY-NWDGAFQWSA-N 431.526 0.585 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828966448 HWFUHULBQUOWRB-PMACEKPBSA-N 449.596 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccc(C)n3)CCO2)C1 1829718911 NRPDAAWZHUHBNH-BVVUSLJFSA-N 427.501 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)s3)C2)C1 1829764604 PMODJNJLRDZEIL-IZRJCCQOSA-N 433.530 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1829770211 FPMCAKMLOROJGX-QEVIJRNUSA-N 432.477 0.165 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1829770330 JIOHVWVKSJXWHB-IZRJCCQOSA-N 432.452 0.149 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)cc1 1829900994 UMKSMGZRKFSBAG-HSZRJFAPSA-N 436.468 0.972 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)CCO2 1830707222 OMZVYFTYLZXJOE-FIKGOQFSSA-N 440.562 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831398575 HJRXLHBHVDMCMH-BTYIYWSLSA-N 447.444 0.409 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831434687 FPPXAKJQFRHZRE-VFNWGFHPSA-N 449.460 0.962 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831434903 IFIOLSNAYBZLSQ-IERDGZPVSA-N 434.493 0.327 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831435349 QMIKZCTUTZEJBF-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831487477 NQUBWOIMQBENAD-UYAOXDASSA-N 429.583 0.120 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832200966 WAQDOLUODPWRNX-NRFANRHFSA-N 445.545 0.807 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832812927 IVROZWRNDNQMRP-QSMYGXHJSA-N 449.508 0.328 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1833428066 FGHTWVJNYRKXCJ-SFHVURJKSA-N 427.379 0.726 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c(C)n2n1 1835342132 RIQGVUUQEPLUJM-NRFANRHFSA-N 439.476 0.115 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835731617 KAMJLBCESBWMFW-PCLIKHOPSA-N 443.552 0.427 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170134 YGHVTSHPADJIHD-HNNXBMFYSA-N 428.537 0.938 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015743 GBJGIPIRKPDBQS-HTAPYJJXSA-N 443.504 0.372 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837045559 ZPDAANCYGUSPMU-FOIQADDNSA-N 432.502 0.504 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)on1 1837441043 OHTPRSVMXVPOLZ-XWRADEMYSA-N 433.509 0.454 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837493363 BDUINWQZDOWJLZ-HSZRJFAPSA-N 445.516 0.681 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837561319 HCVPPXUTGJPSLJ-IQTGRTGDSA-N 428.445 0.569 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1837646950 GCIPOXUFUIQRFR-MBOZVWFJSA-N 436.513 0.172 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1Cl 1838596200 SUZZDVMGUKMVEH-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838839731 ACCNOASPEPLSNB-KSFYIVLOSA-N 447.488 0.207 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn1 1838906473 LSDLMVKHHXULET-JOCHJYFZSA-N 437.456 0.741 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnco4)C3)C2)ccc1F 1839186663 IDEBNDRVBLGAIE-NRFANRHFSA-N 428.420 0.998 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224468 ULKABNULFIZQQP-FOIQADDNSA-N 437.497 0.300 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)n1 1839423020 GENOTICZLLIJHT-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840168093 GBIXVKNHDQHBTG-QHCPKHFHSA-N 440.500 0.929 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1840172442 NHNHAHPZGUIBDV-NRFANRHFSA-N 436.530 0.801 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840174084 GXLDCSUXYREUGL-QFIPXVFZSA-N 432.473 0.482 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1840465452 YNFJUDQCUIVXRN-QHCPKHFHSA-N 444.532 0.118 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816089 OMENVULYEUXUKN-VGSWGCGISA-N 428.489 0.999 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1841599681 HPNPJDSIPOYRMY-KRWDZBQOSA-N 437.500 0.735 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842563958 XUKCAOZTONWICW-UHFFFAOYSA-N 434.456 0.638 30 20 ICED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137666 WJEIYHXGVIWCHJ-INIZCTEOSA-N 447.536 0.865 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1845189480 IHOANFVSPRITQP-QGZVFWFLSA-N 431.493 0.170 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(-n3ccc(C(=O)OCC)n3)c2)C1=O 116293999 OGLUDLFCPUDMGK-UHFFFAOYSA-N 425.401 0.964 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 409546178 SWULTNZIWWBVTM-NSHDSACASA-N 440.956 0.177 30 20 ICED C[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccccc1)n1cnc(C#N)n1 409566421 XVEAQKBIWZEKLZ-HLLBOEOZSA-N 446.475 0.279 30 20 ICED CCc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410153374 YMGDJSDQOMHRLO-AEFFLSMTSA-N 436.534 0.630 30 20 ICED CCOc1ccc(-c2cn(C3CN(C(=O)C(=O)Nc4ccn(CCC#N)n4)C3)nn2)cc1 442524179 JKBMWRQUASUVGF-UHFFFAOYSA-N 434.460 1.476 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](COC)C2)cc1 443763798 KMNUOSAQHLSYOK-GOEBONIOSA-N 425.507 0.694 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N 443969484 YSMOCJDBJIPDLA-HOTGVXAUSA-N 442.563 0.527 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2=O)n(C)n1 464115527 NTNLGKVCECEBOJ-HNNXBMFYSA-N 430.490 0.374 30 20 ICED COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(=O)(=O)N(C)C 465126925 GKTOBDIJGBTLKP-CQSZACIVSA-N 444.517 0.958 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 466610220 WUTFWTYZASESEC-UHFFFAOYSA-N 443.464 0.078 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2CCc3ccccc3C2=O)cn1 467316770 OKNRBNCVNZBRLZ-UHFFFAOYSA-N 429.440 0.892 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCOC1 479369201 ZJMHSHFCZTZROG-OAHLLOKOSA-N 442.541 0.769 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CN3C[C@@H](C)C[C@@H](C)C3)CC2)c1C#N 481049771 OZFYLJMVHPGXTD-BBWFWOEESA-N 429.569 0.731 30 20 ICED CCOC(=O)c1c(NC(=O)NCCN2CCCS2(=O)=O)c(C#N)cn1CCOC 481473331 GNVJZZFPYUVAGD-UHFFFAOYSA-N 427.483 0.340 30 20 ICED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 488979920 LDKRQUAQNGVZDP-GFCCVEGCSA-N 432.885 0.980 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Br)cn2)c1=O 505682487 RMASZVXLKCEQHD-UHFFFAOYSA-N 437.319 0.353 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 507923508 XSXQLNSSNWFLSA-UHFFFAOYSA-N 431.430 0.161 30 20 ICED C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508798515 UIYLLBDOIBSTAP-HOTGVXAUSA-N 428.559 0.477 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476748 HLLNCDZJYJAMJW-UHFFFAOYSA-N 446.485 0.120 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543923256 JIETZEKYUWZPNL-GFCCVEGCSA-N 436.881 0.486 30 20 ICED CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 547291376 OJOILVCXTQJAOZ-MRXNPFEDSA-N 436.534 0.966 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C1 550979039 HXLWATFPHUJMCZ-QZTJIDSGSA-N 425.533 0.823 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 553328554 WGVJCCVOBVIZBG-UHFFFAOYSA-N 428.533 0.869 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 554124045 LXCKTVBYQXIJFB-UHFFFAOYSA-N 444.511 0.015 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)c(F)c1 557443068 SBDKULSXCINXAB-INIZCTEOSA-N 441.463 0.343 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)C1 558245567 GTGVRKVSVAPMBB-CYBMUJFWSA-N 437.478 0.022 30 20 ICED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569759333 GNJYRDFEIMRIDR-VLIAUNLRSA-N 436.516 0.873 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H](C)C1 574523447 SCZGVOLZEZAILO-CQSZACIVSA-N 428.536 0.293 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)cc1 578888114 RAZAALFVKTWXGP-UHFFFAOYSA-N 425.416 0.764 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 582526058 FGSZVRLFQQDAHP-UHFFFAOYSA-N 444.925 0.962 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(OCC(F)(F)F)nc2)C1=O 584491440 LLYGPLHDEBWOAU-AWEZNQCLSA-N 428.411 0.927 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc3n(c2C#N)CCS3)c1 609814537 OSBOMBDFELIILU-UHFFFAOYSA-N 436.519 0.691 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2F)c1=O 611078605 QVJBYUBZLUJYTL-UHFFFAOYSA-N 448.907 0.572 30 20 ICED COCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611429152 ULXRETUFMDHQCY-HXUWFJFHSA-N 431.512 0.762 30 20 ICED N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 615646410 RNETULCJAUBTSM-QGZVFWFLSA-N 425.442 0.365 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(OC)nc1 726962364 TZVNJNLXXDTQBG-UHFFFAOYSA-N 438.513 0.503 30 20 ICED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 731888542 VQLQKMGNKNOPSN-RURFIKTLSA-N 425.445 0.405 30 20 ICED CCOc1ccccc1C(=O)NCCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732908449 LLQFWIPDKQGWHG-MRXNPFEDSA-N 435.502 0.561 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCS(=O)(=O)C1 733957033 KYCBZERXOSICDN-HIFRSBDPSA-N 427.548 0.833 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735472798 FDIJWCKIGFMPFU-MRXNPFEDSA-N 436.534 0.649 30 20 ICED NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 743324909 PCUJJJITRKPJGE-CQSZACIVSA-N 442.563 0.565 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755543729 CSGBSUSXFGONAL-HOCLYGCPSA-N 429.477 0.789 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 761033335 UVXNABAMJLVCBU-UHFFFAOYSA-N 437.522 0.973 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCS(C)(=O)=O 761854992 MEYHODGLDDYIKJ-UHFFFAOYSA-N 448.570 0.077 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(Cl)cccc2N2CCCC2)c(=O)n(C)c1=O 763370594 RTOGEZZEQISAFV-UHFFFAOYSA-N 425.898 0.650 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1 763819963 XDTDWODSRWNHAU-UHFFFAOYSA-N 438.506 0.356 30 20 ICED COCCCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 770174262 LDYJSVUASBJNAO-CAPFRKAQSA-N 446.551 0.394 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)OCC)C2)cc1 770795605 VMSGNPSIVYCBKZ-OAHLLOKOSA-N 438.506 0.779 30 20 ICED CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888198 AFVYEAPRYQRYJZ-CYBMUJFWSA-N 443.526 0.528 30 20 ICED CCCOc1c(Cl)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771897652 PWVHXJWESKMPDB-UHFFFAOYSA-N 444.897 0.847 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 774226212 MJLCFONODUXHMQ-UHFFFAOYSA-N 428.453 0.792 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 783544761 CIILGWZNUUHQHG-UHFFFAOYSA-N 429.564 0.164 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 783547597 NSNISWMBYAMWSL-GASCZTMLSA-N 430.548 0.815 30 20 ICED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785187363 YOOFUGPVWRZPGZ-RELWKKBWSA-N 435.550 0.991 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)n1 790105812 CFXVJGCBWGMKHD-INIZCTEOSA-N 434.518 0.867 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815262505 MCHNKCYKEKXPAW-CABCVRRESA-N 438.506 0.789 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921130724 CBVBDXKJKQEGFC-AWEZNQCLSA-N 428.536 0.617 30 20 ICED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1141917895 IGRLUYLJDCRUSG-YJBOKZPZSA-N 439.559 0.398 30 20 ICED COCC(COC)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1195112682 LKDYNLKTOYAXGC-LJQANCHMSA-N 435.594 0.736 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1288826887 WPPVAPKFKBIARB-CJNGLKHVSA-N 430.506 0.262 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1307675785 RDGLYGZETLOWHM-IBGZPJMESA-N 437.541 0.548 30 20 ICED COC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1315803328 JYZGRDCDYNRFOV-HZPDHXFCSA-N 442.542 0.012 30 20 ICED N#CC1(NC(=O)COC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CCC1 1346190979 RTMMNSOPMJBTAA-UHFFFAOYSA-N 427.504 0.613 30 20 ICED CCS(=O)(=O)c1ccc(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1356041911 HXEFAYOBPZPBPP-INIZCTEOSA-N 426.516 0.379 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1512405766 FTOSLNWQTYXVMH-JLTOFOAXSA-N 444.517 0.033 30 20 ICED CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1515058935 SQMDITTYMCPYSC-KRWDZBQOSA-N 425.493 0.684 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1596184795 UELYPZOUSZMWKM-HXUWFJFHSA-N 444.517 0.035 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1617313927 MVHJSROSFANIBS-INIZCTEOSA-N 430.490 0.892 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1627176857 MEYBZVAMJOEXMN-INIZCTEOSA-N 441.517 0.884 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 1632533154 OCRALQGGFXPZKP-UAGQMJEPSA-N 434.468 0.721 30 20 ICED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1706004384 LECOGHIPTXIZFS-QFIPXVFZSA-N 442.568 0.695 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1748211777 OPGRHDDIQLZTHU-AWEZNQCLSA-N 433.419 0.149 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1770748848 SGRUTBIPOWATBA-OCCSQVGLSA-N 427.431 0.637 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778593840 ACKDGQBGEZDIBI-NRFANRHFSA-N 427.461 0.682 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)c1 1778711720 BTNAPCLGQAVEQE-JOCHJYFZSA-N 433.424 0.778 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1779420050 LXMMBHHNRQXZGD-OFRMBWBQSA-N 438.481 0.138 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779488091 GPXIFKCSYJEKFC-AQOAWAETSA-N 428.489 0.572 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1783112861 XGQQYZBUCRATIC-XFQAVAEZSA-N 425.526 0.914 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1783454426 HGXVZENKOHAFIO-IIBYNOLFSA-N 448.520 0.756 30 20 ICED COc1ccc(-c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]2)cc1 1783561998 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0.599 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226251 RAKDIJVTCHASDC-UUXHPUJUSA-N 446.479 0.442 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791540301 MZENDQFNUNGLGI-KANFNMMFSA-N 449.577 0.356 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1793354030 KTNHNUMFMZUEJE-LJGDNWOOSA-N 433.534 0.822 30 20 ICED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793580885 WJAGVIJDPDLIGU-NRSFXHEJSA-N 427.567 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479255 LKHZKXZDKAVROA-OPOADAIRSA-N 438.484 0.407 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797182389 ISHUZQIMQKXOSX-OLMRKFRDSA-N 449.504 0.311 30 20 ICED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(F)(F)F 1797808540 JCCVQBYCHKFVRK-AMMQPIMWSA-N 437.415 0.418 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797810936 CSDYZEXPMWYTDH-COGMPDBYSA-N 434.449 0.225 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)cc1 1798357034 OCDHMUADHQUTND-BJWYYQGGSA-N 434.456 0.159 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c(C)noc2N)C3)c(C#N)c1 1799237723 ZVPQXLKXVQWROR-CWPLJXCYSA-N 439.472 0.891 30 20 ICED C=CCC(=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 1801000109 JNJPXTSWUKYPFK-OYNZLANYSA-N 437.537 0.770 30 20 ICED O=C(CCCn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801306165 XYJBWXZIWFOWNJ-HATOLVCRSA-N 428.533 0.952 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801737191 GYVXJWHAHJODCG-RZXSNQJFSA-N 428.533 0.852 30 20 ICED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1806677183 SRRJAUHHNAXMQN-UHFFFAOYSA-N 431.522 0.577 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)/C=N/N4CCCCC4)CC3)C2)N1 1806849518 UQWUCHOQQFZAIL-CAUNFOBBSA-N 432.525 0.287 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1808431710 INOXXOSFLHUNGW-SOLBZPMBSA-N 430.461 0.705 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812648182 HSRWUKMZKBPSMO-AYOQOUSVSA-N 428.537 0.894 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818964000 UVIOFURIXKGFBB-LPHOPBHVSA-N 444.536 0.604 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)S)CC2 1819861740 HRRKDHGCTATHDO-QWRKXWFKSA-N 429.520 0.868 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824505999 TVEAGXKLYWVRMA-WBVHZDCISA-N 431.470 0.922 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829484280 HBPBSCKGRDFYJR-FQEVSTJZSA-N 449.464 0.540 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829706212 RBKUMYOAHYSYHC-YLJYHZDGSA-N 427.567 0.083 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1830243313 IWLUGRJARRZDQD-JOCHJYFZSA-N 431.489 0.949 30 20 ICED Nc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)sc2nccnc12 1831212720 CNTVLQTWRIPLGB-NRFANRHFSA-N 441.513 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1831391531 PWFLVBUQSJLRAP-WMZHIEFXSA-N 430.501 0.698 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831399564 XNHYNLHIKDAAKV-AOMKIAJQSA-N 430.505 0.017 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1831493784 UPXLLJHUZLAIJP-QKIGPUQLSA-N 425.595 0.737 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1832460948 KNCXGATXPBTJDR-KXBFYZLASA-N 430.523 0.924 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832758861 FICDMCVPLHPREN-QVKFZJNVSA-N 449.529 0.759 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)no1 1832929206 HNTATSQUSVOPOD-JOCHJYFZSA-N 439.472 0.757 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C(F)(F)F)CCO2 1833330470 WAIZJFHHKBSENQ-SFHVURJKSA-N 428.411 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833465064 JIAQIWINTRDNEJ-INIZCTEOSA-N 446.508 0.401 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CSCC(=O)OC)CC2)CC1 1833476226 HGVZCEWIYSOYKO-INIZCTEOSA-N 439.578 0.503 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833628548 DDWJXLCJORTODJ-JOCHJYFZSA-N 443.456 0.028 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1834174138 RGNQILZBJVDPCU-JOCHJYFZSA-N 441.463 0.744 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cocn2)CCO3)c1 1834509160 HYQVDIWVGRTVBD-OAQYLSRUSA-N 426.429 0.939 30 20 ICED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1834705463 LDJCFIZHJQFPFQ-GVFUYMABSA-N 442.516 0.797 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835302293 XOVJRSVPBBVPOH-XXBNENTESA-N 440.500 0.226 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1835350439 JROSLKIRJBLXJI-NRFANRHFSA-N 449.529 0.393 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835400537 WQZHRCRZLLTMAV-CTNGQTDRSA-N 442.626 0.035 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835644906 GVAVKWVZVQOIDB-LJQANCHMSA-N 446.508 0.136 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835767706 MTSCBMWUJMHYJQ-YUPBQZPNSA-N 433.553 0.615 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1836499107 UDNPVQKZZOVKBA-VNZMSGEBSA-N 443.544 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1837395149 QSXAMURQMDCUAO-LAUBAEHRSA-N 434.493 0.255 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431623 YUIQZKJNUYDZPJ-GHTZIAJQSA-N 437.613 0.628 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837488400 DDVIWIAXKLTMMC-JOCHJYFZSA-N 428.489 0.245 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492151 BKERQTKEWZLQLU-WMZHIEFXSA-N 435.565 0.482 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837756204 QRKCZVVGYDTWEU-KSFYIVLOSA-N 446.504 0.033 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)n1cnnn1 1837869479 PRKDYOXDHZCJPO-MRXNPFEDSA-N 446.556 0.515 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccnn5)CCO4)C3)c2c1 1837878804 MFHASGYLQBSZNQ-QFIPXVFZSA-N 447.455 0.608 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838529245 STFLKXLVPVUUAZ-JOCHJYFZSA-N 433.505 0.438 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CCO2 1838977783 ZZZVNIDZEBNMCL-LJQANCHMSA-N 440.374 0.863 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(C#N)c1 1839131991 LYPBPCUVUSVXAY-NZQKXSOJSA-N 440.500 0.094 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839223246 QTYYQEOFRRMBTN-HRAATJIYSA-N 434.493 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839225095 XMMIFQFUADJTGY-RDTXWAMCSA-N 425.511 0.717 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364197 SICPDFPMVABPIA-SIKLNZKXSA-N 447.557 0.937 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)C1 1840148494 RGCIOOWKEZIPNH-UIVXKWKOSA-N 428.551 0.741 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840157473 QGODBDLKCNLQNW-KKSFZXQISA-N 435.546 0.533 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840157817 BLSHFNDHIFMWMW-MRUHUIDDSA-N 439.578 0.552 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165098 VYOXKNQHKZXVJO-RKGQZRNOSA-N 445.541 0.671 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1840165485 ZWJREMOAPIMBEO-JTHBVZDNSA-N 430.501 0.989 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819227 XIAYKBNDAUYGHN-AVRDEDQJSA-N 430.505 0.391 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413895 FHOKMAPTWOTKSK-BAOGCXAUSA-N 442.538 0.144 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260205 BXKVBKCIFSGQRE-SZMVHAFZSA-N 429.525 0.132 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021885 QCRJQWONVJDDFF-UHFFFAOYSA-N 444.561 0.377 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C[C@](C)(O)CC(=O)O)C2)c(C#N)c1 1846381825 LKXOQVLDBGFLFA-NRFANRHFSA-N 429.473 0.929 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1847082296 RMLHHRDJHRUDIW-QVKFZJNVSA-N 430.509 0.951 30 20 ICED Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(N3CCC[C@@H](N)C3)ccc2C#N)c1=O 2048532296 WORXPYUKOKSDID-RTBURBONSA-N 437.548 0.322 30 20 ICED CN(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 31281899 YZLHDZUJSFAQTQ-UHFFFAOYSA-N 434.518 0.276 30 20 ICED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444507765 PURRCJGFEGBEGG-UHFFFAOYSA-N 437.504 1.135 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 460615870 UWTIOLHYMLIXQE-UHFFFAOYSA-N 432.440 1.516 30 20 ICED CS(=O)(=O)C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 460706176 PZBHOPHVCHCLDA-KRWDZBQOSA-N 438.469 0.980 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 476033608 NSRLHOAQKXRVKL-RBUKOAKNSA-N 430.530 0.381 30 20 ICED CCOC(=O)c1c(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481357114 FUOBVZBSJDKBAF-CQSZACIVSA-N 442.494 0.196 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 489001159 HXGPRQXNWPAMEZ-ZDUSSCGKSA-N 428.466 0.893 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)cs1 489004318 BSCLOIIZTLVWPE-UKRRQHHQSA-N 431.539 0.962 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O 500019172 NFBVZSXWCSDYJX-FQEVSTJZSA-N 448.589 0.855 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(OC)cc2OC)c1=O 502485003 GIQWSIJXBNATJE-UHFFFAOYSA-N 428.510 0.818 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC1CCCCC1 503965171 AGBPWSMENXFOCW-UHFFFAOYSA-N 443.573 0.879 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508721842 AWGGRCDXLGGMNN-IRXDYDNUSA-N 436.582 0.499 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 513306658 MOPFLRXONDOANM-GFCCVEGCSA-N 438.423 0.691 30 20 ICED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)nc12 525642219 TUNUFPXXNLXXEK-OAHLLOKOSA-N 438.469 0.877 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)n1 531655345 DUEFUSHUGQCZNK-UHFFFAOYSA-N 434.477 0.575 30 20 ICED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 532072780 QHBFIJWXWZEVDN-UHFFFAOYSA-N 431.518 0.711 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 537047275 ZZFHUXQDRVUSMK-IBGZPJMESA-N 443.614 0.051 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 538169943 JOEMOFZCEWICLK-CQSZACIVSA-N 427.523 0.963 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 540547684 LTDGHMKHXBEUCV-IRXDYDNUSA-N 439.607 0.718 30 20 ICED CN(C)S(=O)(=O)Cc1noc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 547077534 DGPLEVAVIWAELI-UHFFFAOYSA-N 439.519 0.901 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CCN1Cc1ccccc1 566933142 YICZBDMERUNFBU-VSKRKVRLSA-N 439.560 0.983 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1c1ncc[nH]1 570544244 RPRMPORMSKZTBI-OALUTQOASA-N 449.515 0.798 30 20 ICED CC(=O)NC1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 570717599 HSNATTROWLSCSC-SOAGJPPSSA-N 439.516 0.681 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1 580671357 BUPWCXHJZDXZKX-INIZCTEOSA-N 444.579 0.542 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585709698 BTFYTQLTTWZYMQ-UHFFFAOYSA-N 443.552 0.214 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1 588159978 SPTNMHJIUTYMQM-KRWDZBQOSA-N 447.499 0.096 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 609620182 SVTCUDOOQYUSCB-YJBOKZPZSA-N 433.534 0.379 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 610003791 PMYYBOCSQYGXRZ-UHFFFAOYSA-N 425.510 0.522 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)CC2)cc1 610468330 REHLBDAPVGNZQD-SFHVURJKSA-N 426.502 0.850 30 20 ICED Cc1c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 610969957 CEVYVGZMILLBMD-UHFFFAOYSA-N 433.472 0.606 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 615949928 KIPOZACVRYIBKU-UHFFFAOYSA-N 445.549 0.681 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 728534776 VFHLJWNARPQDEC-UHFFFAOYSA-N 443.507 0.952 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 733148628 FQYUUQYFISCGMW-UHFFFAOYSA-N 445.321 0.927 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 737250996 FICXSJLXULUOTH-UHFFFAOYSA-N 444.488 0.833 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 741007326 FMXZMCXDDQOXPZ-OAQYLSRUSA-N 448.545 0.653 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1F 744131289 VKQMMFDAXIZSBQ-ZBFHGGJFSA-N 427.429 0.498 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)Cc1cccc(F)c1 748767490 OKAYEIGTDQTBEW-UHFFFAOYSA-N 432.477 0.729 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 749689656 HKTGSGTUCCRMEX-XEFZIOHMSA-N 435.550 0.991 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n(C)c2n(C)c1=O 756882219 FNUJOXWEGRYJPY-YPMHNXCESA-N 430.465 0.065 30 20 ICED CC(=NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 762603668 PJCJIDUZJPCWFQ-UHFFFAOYSA-N 448.505 0.902 30 20 ICED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 763949162 HMTCECFFRAJRSJ-UHFFFAOYSA-N 433.530 0.778 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCCO1 775790272 HSAZIQNQVQOMJK-UXHICEINSA-N 433.530 0.493 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2nnn(C)n2)C1=O 783000681 JNZAOHVPKKUXQX-NSHDSACASA-N 439.404 0.799 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@H]1CCS(=O)(=O)C1 783482117 UVBCGVUHSOUNBI-KRWDZBQOSA-N 441.513 0.869 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 784924260 IJFJSIIVQVAJHF-UHFFFAOYSA-N 433.486 0.140 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 785165747 YOOLFMLWGSSIFG-NKFKGCMQSA-N 434.518 0.984 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786414161 IEFJPRHDHRSVSI-CQSZACIVSA-N 434.497 0.525 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)c1C#N 788476386 NIMNNQAPYKDILL-GOSISDBHSA-N 438.467 0.508 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)c[nH]1 794608658 LDYHQZXLJWVDQI-CYBMUJFWSA-N 427.482 0.858 30 20 ICED CC1=C(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)Cn2nnnc2N1C 798282208 XMIASGWMKMEHGM-PGMHBOJBSA-N 430.494 0.848 30 20 ICED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)C 799045822 UITSUBATPNTATF-IBGZPJMESA-N 435.546 0.932 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 804274254 BCULUPLZHNMJFB-FZFLATATSA-N 448.501 0.687 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC1(C)OCCO1 807417545 LUAJHKUQEDPYKF-QAPCUYQASA-N 428.489 0.681 30 20 ICED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 808815587 SZEFVSSLPAAIQI-CQSZACIVSA-N 426.267 0.950 30 20 ICED COc1ccc(-c2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)c(OC)c1 814770082 POJJLSFJXDEJLL-UHFFFAOYSA-N 437.507 0.984 30 20 ICED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914667556 CUTNMNLHSXWCNN-UHFFFAOYSA-N 448.482 0.536 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(F)cc3)CC2)o1 915376925 MJQQXGWWRUKJBI-UHFFFAOYSA-N 429.408 0.616 30 20 ICED CN(C(=O)COC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1)C(C)(C)C#N 920649542 HKTGJZIGRXOZFJ-CYBMUJFWSA-N 426.267 0.844 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1=O 1160605016 QOBYZAJJZBWLGA-ZWKOTPCHSA-N 427.505 0.206 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1296998029 QHMFZYMSNRAEOJ-INIZCTEOSA-N 434.518 0.877 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1299322078 MQAVUFYCPNFUIN-MRXNPFEDSA-N 434.522 0.751 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1302497636 ZERJCRCYHUXAEW-ROUUACIJSA-N 446.533 0.750 30 20 ICED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1316536181 NBKRAHBKHZPAJB-CVEARBPZSA-N 441.579 0.745 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1324631663 KVELGXOIYLZRMQ-HNNXBMFYSA-N 434.474 0.157 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1539776186 WTDSHBIEZNKZQY-LBPRGKRZSA-N 434.950 0.372 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1613588196 AULAEQQQIFTSLZ-AVRDEDQJSA-N 444.584 0.440 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1615135990 RNJZBUBSGQSKLB-HNNXBMFYSA-N 425.493 0.874 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1656801715 VMORVPGXBMBBEI-INIZCTEOSA-N 434.518 0.483 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cn[nH]c1 1723952143 HQUGNKSAIHXEGS-CJNGLKHVSA-N 433.542 0.031 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779015037 OHLKCZKRTCEVNY-IBUSPFOHSA-N 442.520 0.113 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064566 DUWLDRINPJYJNS-MBSDFSHPSA-N 433.549 0.820 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101562 RKSKWUNLSZNCHW-CSQDXPTQSA-N 445.476 0.153 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139407 SGOUPUFKWTZVNT-AZYJHZSQSA-N 449.460 0.023 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779313310 OABKRVCBUHSMGF-KYNLDRKZSA-N 449.529 0.468 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779496928 FESKGNHYRUELAB-RRMPHLOHSA-N 425.493 0.942 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1780180983 ZUCHOWRTQYOWMT-FOIQADDNSA-N 426.481 0.347 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902850 PQKKHRUWSGJONW-IBGZPJMESA-N 449.305 0.852 30 20 ICED O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782449503 APBRUKUZQQMGTF-DENIHFKCSA-N 443.548 0.881 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)cc1 1783603426 FKMJNUJDVVGHGD-FKBYEOEOSA-N 440.544 0.803 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349841 PZHCNIFGMSOLKS-JOCHJYFZSA-N 436.553 0.945 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 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C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C[C@H](F)[C@H](C2)N1C(=O)OC(C)(C)C 1800769064 MDZVSAHGNMAMMQ-LLMMWUQESA-N 435.496 0.945 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC)c1ccc(O)cc1 1801205438 MBPSEZXXJTWTOU-AYMMHLMVSA-N 443.500 0.835 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1806614119 XRKCZBVISUZIID-JQVVWYNYSA-N 445.479 0.737 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1810352086 RWMHRRUCBBABEO-DPLHUUCSSA-N 449.511 0.923 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810357116 OLRMYJHKUBOCCP-ZKUHCBKQSA-N 443.504 0.895 30 20 ICED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815244264 ZINXGKNTBUGFRY-SWLSCSKDSA-N 445.509 0.796 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1823089353 KAHCWKZWDKOMIQ-QWRGUYRKSA-N 439.494 0.399 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1830462352 BUSXZBIIQYVIJP-QFIPXVFZSA-N 428.489 0.213 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655804 YOHUCLMBKWWJMQ-FDDCHVKYSA-N 440.500 0.372 30 20 ICED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831222582 DXKVWHHJFCBAJA-XMMPIXPASA-N 439.512 0.676 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831598011 OGXVLKUIQAHNSN-AOMKIAJQSA-N 447.919 0.659 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832492327 OFIRTRALYOKYPS-MONBJTKQSA-N 446.500 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3)CC2)CC1 1833073753 FTULRGRCPRTXNR-ARJAWSKDSA-N 426.521 0.520 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CCC)NC(C)=O)CC2)CC1 1833468619 MFBRSFAXDLXIMQ-UWJYYQICSA-N 434.581 0.901 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(C)n1 1834161495 IWNGUTFBWQABJR-XWRADEMYSA-N 432.525 0.270 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1834448185 LGMMGRIYVVUGIX-JOCHJYFZSA-N 449.471 0.552 30 20 ICED O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834626577 UTTKQNXMVZTCDJ-BUVRLJJBSA-N 443.548 0.893 30 20 ICED C[Si](C)(C)C#CCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1835726397 BHNZXKPEJZJOJO-FQEVSTJZSA-N 435.689 0.895 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170067 VEEIAYCGURNQSB-QGZVFWFLSA-N 429.525 0.518 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836881233 MUAQNTVQVIGHMG-WMZOPIPTSA-N 428.599 0.532 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836937309 ZVXDUEXLUHZOIR-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1837400637 JEECDHALNNUMOC-VGOFRKELSA-N 433.505 0.739 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837442166 QYJFUSDJHYYEAQ-XZEIMLRBSA-N 447.492 0.035 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1 1838551788 ULJKFESYLAOVKG-UHFFFAOYSA-N 431.493 0.733 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1838584886 MDZFZALXPQBUMA-JOCHJYFZSA-N 439.472 0.603 30 20 ICED Cc1c(Br)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1838768558 KAHBVNDQNLJDCA-KRWDZBQOSA-N 440.298 0.475 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970236 FHYFNXDIGCSFGI-DHNIJCFSSA-N 430.505 0.934 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)OC)C3)C2)c(C#N)c1 1839131144 OKQDOFLIDQKJAV-QHCPKHFHSA-N 445.516 0.991 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1839175715 AEDWCZIEAVXQKX-RTBURBONSA-N 430.448 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839226843 FKSRUNLWHVCHMH-KKSFZXQISA-N 434.493 0.256 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839887611 JPDKHOVCVIIMBP-YJBOKZPZSA-N 444.504 0.681 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840798857 FPIWISZRVDNLNV-HSZRJFAPSA-N 442.516 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cc3OC)CCO2)C1 1840933387 MBFNAGZHXUTHCK-UZUQRXQVSA-N 448.491 0.872 30 20 ICED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c1 1843130579 AGNZELSKDQAJAQ-UHFFFAOYSA-N 425.470 0.841 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)c(C(F)(F)F)n1 1843168992 KRZNIVPDBMKWJO-ZDUSSCGKSA-N 438.410 0.382 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C[C@H]2C1 1846107840 QASUOJFDNKZBKY-OYHNWAKOSA-N 431.489 0.925 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NCCC#N)CC1 8774510 MUZDEKVRZQCPDU-UHFFFAOYSA-N 438.462 0.877 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 10690261 JNNMRNIUOCQVHF-HXUWFJFHSA-N 448.501 0.443 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Br 104597797 UQTXOKNWMVBEIL-UHFFFAOYSA-N 443.279 0.909 30 20 ICED Cc1cc(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n([C@H]2CCS(=O)(=O)C2)n1 428795141 VYNRUOLJLLVKCB-DLBZAZTESA-N 444.517 0.910 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCO1 429983616 CWJWXBFIUMHALH-WCQYABFASA-N 448.423 0.369 30 20 ICED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCCc3cccc(C#N)c3)n2)c1C 440131568 HXLKGQFCUACBOR-UHFFFAOYSA-N 433.472 1.516 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1OCC(F)(F)F 440380815 KIHVLFDLQPEMCY-LBPRGKRZSA-N 434.396 0.717 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]1C(=O)OC 442108502 ASYMOPQYISOZIZ-GDBMZVCRSA-N 437.474 0.364 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443326206 ASSSOVPQRMKSAU-ZJUUUORDSA-N 444.366 0.968 30 20 ICED CN(C)CCn1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 448482337 VLDJGDIWGZUKNR-UHFFFAOYSA-N 449.519 0.772 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 473386174 FYTUZUASLHYLLC-HXUWFJFHSA-N 439.516 0.052 30 20 ICED C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 473481561 NUXRYAJXUIDINZ-OAHLLOKOSA-N 427.484 0.964 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 479666757 YPVWPWSZIBCYQL-HZPDHXFCSA-N 426.516 0.527 30 20 ICED C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480471658 YMJGVWZUTXLGAU-CYBMUJFWSA-N 432.458 0.551 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 480951084 HBBRQCYYDZBFKS-UHFFFAOYSA-N 425.495 0.907 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2cccnc2)c1=O 488974490 BBFZCRXLPGSOSZ-MRXNPFEDSA-N 435.509 0.390 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 500218619 VJOLAIZPKPYTLM-UHFFFAOYSA-N 427.502 0.708 30 20 ICED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505666860 UTGBONUKMQNWSK-CQSZACIVSA-N 432.571 0.814 30 20 ICED COCCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 506108487 JMEQQWXKQFSDLX-UHFFFAOYSA-N 428.493 0.719 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506697249 PVCTYNHEECEWDI-ZBFHGGJFSA-N 428.536 0.326 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 507887727 KWTGCGUOJQOLIK-UHFFFAOYSA-N 443.551 0.055 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C1=O 509523420 JYTWXAISVQSXEK-ICSRJNTNSA-N 427.549 0.559 30 20 ICED CC(C)(CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 511053638 WDJYRBWQWBSNHQ-UHFFFAOYSA-N 449.577 0.092 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1C 511751363 JOBBZJGVDHSNDV-SFHVURJKSA-N 430.534 0.634 30 20 ICED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 527030638 XNBDAUAVMCGEHI-AWEZNQCLSA-N 439.472 0.665 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)cc(F)c3)c(=O)n2CC)CC1 534402770 AQWSJMMDYAHZFZ-UHFFFAOYSA-N 432.496 0.875 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCCN3CC(F)F)CC2)cc1 547459791 GABWNYMNRLIZPW-MRXNPFEDSA-N 428.461 0.357 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(COC)o2)c1=O 548289674 UVFZNPBSNGZBGB-AWEZNQCLSA-N 432.498 0.794 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 550799291 FOLJCUGPDAZWQR-GOSISDBHSA-N 436.472 1.542 30 20 ICED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 556388435 TWWPDFGLMBDAHX-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(C2CC2)no1 557047903 JWFPGYVCITXAJA-KRWDZBQOSA-N 444.517 0.954 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 558963545 OKFUVCAJUYJRNZ-RYUDHWBXSA-N 438.476 0.969 30 20 ICED COC(CNS(=O)(=O)c1ccccc1C#N)CNS(=O)(=O)c1ccccc1C#N 568910371 ARKAWLUDAPWKGB-UHFFFAOYSA-N 434.499 0.702 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)CC1 582201060 FPDNLBCXAJCVHC-IBGZPJMESA-N 427.549 0.466 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585721066 XJPFBTUTHJTNNT-UHFFFAOYSA-N 443.552 0.216 30 20 ICED CCOC(=O)c1sc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1C 588997081 OWNCDFBIXSNJRP-UHFFFAOYSA-N 442.501 0.860 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccn2)c1=O 590990183 ADPBYLMMSCPHLW-UHFFFAOYSA-N 428.514 0.533 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603792397 CSQZUBVACXLPDM-UHFFFAOYSA-N 427.482 0.148 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 608829038 XZGHLQHWMVKDEC-UHFFFAOYSA-N 437.506 0.260 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 610805111 WFBYCEQVXARTLV-KSSFIOAISA-N 433.534 0.166 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2C(F)(F)F)c1=O 727165076 WCIJIEHAVQIYPF-UHFFFAOYSA-N 442.444 0.504 30 20 ICED CS(=O)(=O)c1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 738565256 KBEWSJSJCRWDLZ-UHFFFAOYSA-N 438.483 0.862 30 20 ICED Cn1nc2c(cc1=O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 744622639 GREKDYPCFRLSOI-UHFFFAOYSA-N 443.529 0.964 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 746659257 YKXMTLQCCIPUDS-UHFFFAOYSA-N 434.396 0.669 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 749688963 VDIBUKFJRNWBBI-ADSWHHSESA-N 449.533 0.565 30 20 ICED COc1ccc(N2CCN(C[C@@H](O)CN(C)CCCc3[nH]nc(N)c3C#N)CC2)cc1 754073553 AGSZDGIXABJJGZ-SFHVURJKSA-N 427.553 0.920 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1F 756693522 VWFUZDXCRAAPDW-VXPUYCOJSA-N 444.467 0.618 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758472690 JEPUVUDGOVZIPX-DOTOQJQBSA-N 436.557 0.987 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761225187 DLCQUBCODVOTDZ-ZDUSSCGKSA-N 442.449 0.935 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(F)ccc2Br)c1=O 761273197 RVEUWRIKRQVKGX-UHFFFAOYSA-N 435.278 0.926 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)nc1 761854242 GDESGWQFEDBINH-UHFFFAOYSA-N 433.555 0.776 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 766245415 DMGDYHOMKHLEGS-DFQSSKMNSA-N 434.562 0.406 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)c1 771076402 GLSKTHVWZOIIHF-UHFFFAOYSA-N 444.535 0.019 30 20 ICED COc1ccc(-c2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cs2)cc1 771897607 HNOZSJNUHAEOCH-UHFFFAOYSA-N 435.487 0.529 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 776592427 FSEWBUABUWJTAV-OAQYLSRUSA-N 426.517 0.138 30 20 ICED COC[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)OC 781541509 UCMHBDWNMGXPTG-VDVBZYJVSA-N 426.495 0.216 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 783481974 SIBAVWZCEARSFW-GOSISDBHSA-N 440.481 0.921 30 20 ICED CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)cc1[N+](=O)[O-] 784201115 SQJQEAYJACUROA-UHFFFAOYSA-N 442.475 0.701 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[C@@H]1CCCO1 809313057 QHWSPXLJKYGXCT-QUCCMNQESA-N 426.517 0.629 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cnc(Br)n1 813203869 ACMQFRMUXDZHOH-JTQLQIEISA-N 428.268 0.822 30 20 ICED CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813981725 IJCDEQGUZBZGOV-CYBMUJFWSA-N 437.503 0.751 30 20 ICED CSC[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 813984000 LLGBEANPYLTPNU-SOUVJXGZSA-N 436.515 0.665 30 20 ICED O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCN(O)C1=O 816756200 RYWNCHZARIDKJR-GFCCVEGCSA-N 425.385 0.750 30 20 ICED NS(=O)(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)nc1 914697309 LPEIMGGHBBUJIF-UHFFFAOYSA-N 429.462 0.020 30 20 ICED CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278545 BAJJBBBMLASMEK-CJLVFECKSA-N 437.522 0.423 30 20 ICED CCN(CC)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 920786315 FQVJGEMMROLYFI-CJLVFECKSA-N 437.522 0.423 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(CCC#N)CC2)c1 1171874712 PVOSNQUYZBCUHR-UHFFFAOYSA-N 435.550 0.505 30 20 ICED Cn1ccnc1[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1251490218 QWLJZKMBYIHXCO-OAHLLOKOSA-N 429.387 0.921 30 20 ICED CCN1CCN(CCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1296204555 WTCRIDJLPPCCRT-SFHVURJKSA-N 438.584 0.991 30 20 ICED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1313890061 XXVPMFOPROWDBC-ULQDDVLXSA-N 439.586 0.549 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1321473191 GFUULKYVSZPOLX-GOSISDBHSA-N 428.489 0.535 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1518657626 IQMQIMYMVIIWNS-UHFFFAOYSA-N 435.492 0.840 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1618830373 PWUPQUWNLOJJNY-UHFFFAOYSA-N 438.492 0.137 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CCO1 1696964860 QUONTVNFZPFSDL-SFHVURJKSA-N 427.509 0.346 30 20 ICED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1707492448 JEIVUENWCYPHHB-CRAIPNDOSA-N 444.565 0.817 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711020259 QKPBSUFAMCLXDK-IAGOWNOFSA-N 437.570 0.588 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1741679421 UDGUYZSIPPNQNZ-ZDUSSCGKSA-N 437.302 0.804 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1748293490 LZVQTUDLLSDYFV-QGZVFWFLSA-N 443.533 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778059350 ORSQAKXNFTYLAZ-JLTOFOAXSA-N 447.496 0.727 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1778971213 JOFILARCZXFIBN-VFNWGFHPSA-N 446.529 0.773 30 20 ICED COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779421000 CNPFKHOBFZYMNO-NQULIRQDSA-N 439.509 0.983 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)N1CSCSC1 1779451625 GOJOWGDEGODKDE-SPYBWZPUSA-N 441.575 0.631 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780060419 MPRHTNNYECHCAY-QHCPKHFHSA-N 444.451 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C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1838018143 UXCINLFTITWLPV-UHFFFAOYSA-N 433.530 0.872 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474631 MSUUXXIZPUKZBW-VFNWGFHPSA-N 433.461 0.471 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn5nccc5c4)C3)C2)c1 1838737038 FRNKDMQUNWZPIE-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838805357 MMWCHXRXTZCXMZ-NRFANRHFSA-N 426.429 0.422 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423078 WYELFKIPULDADW-HXUWFJFHSA-N 434.880 0.418 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839857492 VSLPBTDQNWXNIK-JOCHJYFZSA-N 428.489 0.083 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840020852 OSBLZMABFZEQCN-XFQAVAEZSA-N 441.525 0.293 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275248 CTMJQHMWWLCFRA-FRVUEHSBSA-N 425.526 0.795 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840588218 XEQZUWSNDMONJS-XMSQKQJNSA-N 436.553 0.541 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819534 PVAWBNWGGHCEGP-OAQYLSRUSA-N 440.460 0.134 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)c(C#N)c1 1847786284 NNCPTXLNQWTAPW-BVGQSLNGSA-N 436.509 0.769 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(C)(=O)=O 1847940187 PTPDHPSRSMTKTA-ILXRZTDVSA-N 429.539 0.702 30 20 ICED C#CCNC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 16537242 QSMSCDNUCQJIOL-UHFFFAOYSA-N 435.458 0.062 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC=C 18760512 UQQQEBSBOBDFRR-OAQYLSRUSA-N 426.429 0.707 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 30592547 IVBGOVBKZFSFRB-BBWFWOEESA-N 435.550 0.857 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)cc1 109087239 KMWWYFIZZSLBIX-UHFFFAOYSA-N 428.493 0.613 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCc2ccc(I)s2)CCO1 410135355 FVOKCBUYABXCCV-VIFPVBQESA-N 427.289 0.954 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 437398270 RVUPVAPBVKURQH-MRXNPFEDSA-N 435.550 0.959 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccn(CC(F)(F)F)c3=O)CC2)c1 465324947 HQOFKRBTWKGFAT-UHFFFAOYSA-N 434.378 0.965 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 472043791 QXBFPJMCFQRBNI-YJBOKZPZSA-N 441.488 0.859 30 20 ICED CCCCn1c(=O)nc(O)c2c1nc(CN1CCN(c3c(C#N)c(C)nn3C)CC1)n2C 472163071 ZRRKONOVTZDVPC-UHFFFAOYSA-N 439.524 0.872 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 482413242 MDGOWLSTPMLMFO-CZUORRHYSA-N 430.490 0.189 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)C2=O)cc1 487172639 MRAVTTWAHXVQSB-RBUKOAKNSA-N 445.545 0.869 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2=O)cc1 488604729 YLGXYIABPVPYHL-SFHVURJKSA-N 429.440 0.995 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 489119832 YMIZUMPCYCTZHK-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 490984482 FECBQZUTHSWJGE-YLJYHZDGSA-N 435.475 0.866 30 20 ICED C[C@@H]1CN(C2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)CCO1 492848911 ZTRODUGXAKYXOQ-MRXNPFEDSA-N 437.504 0.848 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1=O 499805529 ATYQADJYQQDNHJ-ZQWRNJAYSA-N 425.445 0.205 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 501724843 AHUHDLDSRDWYLT-CTNGQTDRSA-N 441.576 0.460 30 20 ICED CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 508088725 LADLYKHVUXTZAH-MRXNPFEDSA-N 433.577 0.940 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 508119425 LUWIQCFBSADTAY-MRXNPFEDSA-N 430.490 0.190 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508916289 FSXRJWISQOSLEW-UHFFFAOYSA-N 435.510 0.340 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)cc1 514396902 IIUDAIJLHQTPDJ-UHFFFAOYSA-N 449.536 0.826 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 522799702 JERZGXDORWZZPS-UHFFFAOYSA-N 448.954 0.531 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n(CCC#N)n1 533321522 YNGVDVQKQZOQGJ-UHFFFAOYSA-N 448.480 0.716 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1C 551431467 WOKOOBJMHRIURH-MRXNPFEDSA-N 443.485 0.788 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 561288048 VXPPCWROLIGLIN-UHFFFAOYSA-N 446.467 0.212 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 572554680 CDWXODUSLQHWAV-RTBURBONSA-N 426.517 0.582 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 575098994 BUTQXWKAAWEPBG-QGZVFWFLSA-N 436.520 0.704 30 20 ICED Cn1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C1CC1 576555297 ACAYUYMMDVMYOE-UHFFFAOYSA-N 442.501 0.641 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)ccc1Br 577893807 FLSJEYDGMRDWQF-UHFFFAOYSA-N 437.294 0.996 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 588866570 LYKKWCUZINFRSD-FUHIMQAGSA-N 441.532 0.737 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OCC)c1=O 603793660 UWZVFFYPAVDLTD-UHFFFAOYSA-N 425.510 0.856 30 20 ICED CN(CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 603822732 FXOFVIMZWRJGGL-UHFFFAOYSA-N 436.494 0.919 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 604043126 OQYIJIVUKMODPY-OAHLLOKOSA-N 448.588 0.835 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 609946320 POARCEUWWGHLCY-QGZVFWFLSA-N 427.486 0.509 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3c3ccccc3F)CC2)o1 612181999 QDJPSZRKEFWATP-IBGZPJMESA-N 426.452 0.816 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613103417 FGFNHSHYTFJMKA-BLLLJJGKSA-N 433.432 0.121 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)c1C#N 615955875 UDMRRBYDPSVYRI-UHFFFAOYSA-N 430.534 0.654 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 680298096 APNNEPMUZAKDIU-UHFFFAOYSA-N 434.474 0.193 30 20 ICED C=CCn1c(Cc2noc(-c3cc(S(N)(=O)=O)ccc3C)n2)nnc1N1CCOCC1 685260379 HJEVXWOGESZMMB-UHFFFAOYSA-N 445.505 0.897 30 20 ICED C#CCN1CCC(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 735939478 GIPCGAPUIAPGKF-UHFFFAOYSA-N 436.530 0.975 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744726129 OZVWIZNMKPLCDK-CHWSQXEVSA-N 426.447 0.291 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 746642469 YJQCWIJRRQJJAG-SUQMRRJOSA-N 432.458 0.673 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 747323571 HHKQDTIIUIYXLG-UHFFFAOYSA-N 427.486 0.054 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2nccc3ccccc23)CC1 749794335 GHBDAOPREYXSPT-UHFFFAOYSA-N 426.521 0.931 30 20 ICED Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 757291692 KFWNSGXXNHVRQU-CQSZACIVSA-N 431.460 0.913 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCS(=O)(=O)CC2CC2)C1=O 764875252 MAPFASRPXFMQRH-UFIXSJTLSA-N 438.575 0.885 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 771480733 GAKWHDOFSYFCQD-APOCOGJHSA-N 441.444 0.105 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(OC)nc1 783038469 APUTZTIQLLIAIX-SNVBAGLBSA-N 433.412 0.836 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)n(C)c1=O 789037808 LEJPSMUEQULPMO-UHFFFAOYSA-N 436.881 0.295 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)cc1 789811903 GQVNIHVUXQPMPU-OQKWZONESA-N 447.517 0.476 30 20 ICED C=CCNC(=O)CNC(=O)c1cc(Br)c(C(=O)NCC(=O)NCC=C)o1 792302291 XBWGWTNDJAIMEU-UHFFFAOYSA-N 427.255 0.106 30 20 ICED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1=O 798588095 LBVXEXXGNYKNRV-ZDUSSCGKSA-N 429.476 0.925 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c(F)c1 805031368 CLTRWZSISAWDOH-UHFFFAOYSA-N 440.497 0.912 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 812274753 KUCOFIJETCZQLJ-CYBMUJFWSA-N 449.504 0.358 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 912523968 MPPOSHRMKDCVCO-XSFVSMFZSA-N 441.491 0.810 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C)s3)CC2)c1=O 917618975 KSIAOLMCJGVNIY-UHFFFAOYSA-N 431.518 0.329 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919316230 YLLRWWKWEKCJJY-QGZVFWFLSA-N 436.486 0.960 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)N(C)C 1288783141 ZLVHIUGJBLWDAS-CQSZACIVSA-N 433.538 0.875 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1316539827 QYRLZUGFOQGNEV-SJORKVTESA-N 444.517 0.573 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)CC2=O)cc1 1319434402 VFIORDVDMCGOQQ-ZBFHGGJFSA-N 433.511 0.924 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1505145647 QQGFTLPJUJMELC-GOSISDBHSA-N 436.469 0.707 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1518915028 JCAVZVSSNXGHFO-VQIMIIECSA-N 440.504 0.916 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1541991085 SZKAFHZEOFYSES-OXQOHEQNSA-N 449.581 0.955 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC(=O)N1C 1545058375 DXNJXXANEFSEIN-CQSZACIVSA-N 432.506 0.440 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1611308093 LLIOSEBWNSXMSY-NVXWUHKLSA-N 433.538 0.987 30 20 ICED C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1620178567 IWTQVJDWDSXLBB-GDLZYMKVSA-N 448.574 0.809 30 20 ICED N#Cc1c[nH]c(=O)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=O 1644022170 QVHZYNOKFXNLJH-UHFFFAOYSA-N 443.485 0.172 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1697024054 WEWGJOMLJVIUFJ-MSOLQXFVSA-N 446.533 0.750 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1710484387 SSITXEUZPKTGKA-XQBPLPMBSA-N 447.584 0.685 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712454958 ODAFNEQIOVLFHG-INIZCTEOSA-N 433.538 0.988 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1751096894 ZSEYNTLZPWIPDW-DDUZABMNSA-N 426.543 0.510 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1751101286 OARZOYFWPNQVJK-HNNXBMFYSA-N 425.493 0.766 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1769060291 NVIYQPJYCPDVRW-JOCHJYFZSA-N 439.520 0.178 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)n1 1778849329 PDXBMVCUPOXFAO-GECPCNCSSA-N 444.517 0.650 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1778975263 FGVOTEMNBXXXOL-YJYMSZOUSA-N 441.575 0.250 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1779021234 LLVKFJGGPLSXPQ-UKKLRFBMSA-N 425.493 0.873 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1=O 1779061475 ZJDJWZRBIKXVIQ-QHCPKHFHSA-N 427.501 0.527 30 20 ICED N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1779104177 GTKBCSCQKMPLLV-URGFYUAKSA-N 445.520 0.830 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1780349783 GPSYZJHSNALCDD-WZONZLPQSA-N 436.468 0.611 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)ccc1F 1781296975 KOBBYHOXGAQYDK-QFIPXVFZSA-N 428.464 0.692 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(C#N)c1 1781369846 OSBDTDXFNLWBMQ-CVDCTZTESA-N 440.500 0.560 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CCO2)C1 1783195636 YIEDTDKUMWTZQO-QFSBIZTOSA-N 430.477 0.830 30 20 ICED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1783661533 JPVWGBYVGFQFHJ-ICSRJNTNSA-N 432.583 0.840 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1784371273 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N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CCC1 1814052863 JJNKWOVWZGONPJ-QAPCUYQASA-N 433.472 0.984 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1820970411 GQGMDOJSCLSEMJ-SIXWZSSISA-N 436.513 0.853 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1821595452 LGFNIJUBEAAIKG-SNVBAGLBSA-N 427.446 0.120 30 20 ICED CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1823046841 MJNYIUMITKTOKS-OCCSQVGLSA-N 432.550 0.958 30 20 ICED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676695 BWXZIDMPBXFING-VIFPVBQESA-N 430.433 0.810 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1COc3ccccc3O1)CC2 1825661172 IWXWTTNMMBOETR-ABAIWWIYSA-N 427.438 0.983 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1828884338 YBALCUDHJUBVKA-BBWFWOEESA-N 434.537 0.777 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485713 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CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831491048 UCDVHXQUJMTUDZ-KXBFYZLASA-N 425.555 0.883 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1C 1831491658 DBBAKEWIDDEMHC-LPHOPBHVSA-N 426.539 0.453 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831498849 PUUNCYPSWFBPOM-UWJYYQICSA-N 435.546 0.810 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833316515 RPYLIQZFFZOWRH-QFIPXVFZSA-N 428.489 0.444 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497573 NRLAJFUPHPMQJA-VLIAUNLRSA-N 449.464 0.046 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833705324 ZHEGLGVJZWFZKG-KRWDZBQOSA-N 425.599 0.070 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2)c1cccs1 1834103355 PSKZCFGBCLNJPN-YADGQWAMSA-N 430.486 0.980 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)no1 1834601044 NFJCAHFIPZMJFQ-UHFFFAOYSA-N 442.520 0.588 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1835099927 WTVAJZRRDHZYRP-QHCPKHFHSA-N 441.484 0.337 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299745 XECBZZQTRSOAMR-SFGWALBWSA-N 433.505 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835716160 ZICXYRKEWHLBTN-UZLBHIALSA-N 436.597 0.998 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835729652 KAJIRLNMGVPQJD-UPMNJHNBSA-N 446.596 0.556 30 20 ICED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732565 KMHOEIFRSGIRGY-HZHRSRAPSA-N 436.557 0.386 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836141353 LFCTVASANIRYEO-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837311841 OHCZFZVFDBTJQL-PGRDOPGGSA-N 430.505 0.468 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524688 FROFGCNJGKCRJJ-XYHCSTEASA-N 441.525 0.379 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1838534711 YWSCPSKFMCYJCK-HSZRJFAPSA-N 436.468 0.641 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccon4)C3)C2)c1 1838580550 JFNILRAXQAAIPU-OAQYLSRUSA-N 426.429 0.939 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424425 IOYACDSCBKLQNZ-VBKZILBWSA-N 434.880 0.416 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839907697 MGSMEKNRHOLUCU-QHCPKHFHSA-N 444.532 0.673 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840173272 MQPYRULFUPAAAK-JOCHJYFZSA-N 426.473 0.580 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840843242 CRJATLZHGANWSS-QHCPKHFHSA-N 425.485 0.979 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844286337 JBFUZJLWFXKNHS-WTINIBDJSA-N 439.465 0.214 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1847149834 FSFUTVKWWODABE-IAGOWNOFSA-N 435.521 0.864 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCOCCOCCOC 1847806679 MGLNXWURSCMHJE-AABGKKOBSA-N 440.537 0.313 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)NC[C@H]2C1 304991717 DHEZNYVSEPCGCX-QUSNUVHPSA-N 429.521 0.674 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 442060500 RVFBKFOIIAHORP-HNNXBMFYSA-N 425.493 0.690 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443349126 TZMDZTINUYGAOG-AWEZNQCLSA-N 430.383 0.547 30 20 ICED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCNS(=O)(=O)CC 447192359 NSTUAHXZQHVWFJ-AWEZNQCLSA-N 428.540 0.480 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 460616977 DSCHKJLYHNQOOH-INIZCTEOSA-N 429.440 1.308 30 20 ICED Cc1nsc(N2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 464754522 DUHQPJYUFZSSKK-UHFFFAOYSA-N 430.538 0.876 30 20 ICED COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 464854220 GKXJBJKUDCQANC-INIZCTEOSA-N 437.504 0.776 30 20 ICED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC 465195588 MXIZEJFFNSSJJD-ZDUSSCGKSA-N 430.490 0.616 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 470818617 ARAIJMQKOMXCJP-MRXNPFEDSA-N 445.501 0.773 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)CC1 477323356 JSPGDSVKCHEKHA-UHFFFAOYSA-N 430.896 0.911 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC(C)(C#N)C1 482611486 PKJSDRNDXNJFDD-SFHVURJKSA-N 448.545 0.834 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCOc3cccc(OC)c3)CC2)C1=O 484304678 CVLONDFSULNLQB-UHFFFAOYSA-N 430.461 0.195 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)CC1 498082693 SWSYIJNFCAOVFO-BEFAXECRSA-N 436.940 0.979 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 500025635 PDXMVMTWISBDBG-IBGZPJMESA-N 434.562 0.379 30 20 ICED CN(CC(=O)NCC(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 501629126 KWFUVGDJHPBWRZ-GOSISDBHSA-N 442.497 0.935 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508047117 USBKIMMNLKQIME-FQEVSTJZSA-N 447.495 0.888 30 20 ICED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@]12C(=O)Nc1ccccc12 514017116 DSCGNPOXFGOKRT-DJJJIMSYSA-N 444.473 0.149 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCCSC 514327747 PLRVUQGOHFMHSA-UHFFFAOYSA-N 447.582 0.937 30 20 ICED C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 516699178 KJUFPUSXDYKWLN-INIZCTEOSA-N 443.547 0.467 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] 519408299 LSLOUMBBMHTQMU-UHFFFAOYSA-N 436.450 0.660 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523466754 HQKVLTNALNQODI-UHFFFAOYSA-N 430.486 0.882 30 20 ICED CSc1nc(O)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1C#N 536078705 VNJSKMWTSVITSW-HNNXBMFYSA-N 427.486 0.713 30 20 ICED C=CCNC(=O)CNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 537416459 JAIZUIUJJJYXSP-UHFFFAOYSA-N 440.522 0.458 30 20 ICED CS(=O)(=O)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539374262 MXHUZAMFKSRLAL-IBGZPJMESA-N 437.541 0.502 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 539374558 SPOXMTFILHGWCH-OALUTQOASA-N 446.621 0.989 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)ccc1Cl 548290015 VSCDFZHCXCSTGK-ZDUSSCGKSA-N 431.901 0.466 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCn3cnc4ccccc43)C2=O)cc1 550823298 QNWOPYMOVZHYOP-IBGZPJMESA-N 430.468 0.941 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)O1 554846633 FHTVHNIDLOOAPT-LIRZEXBASA-N 431.493 0.687 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 556167769 TZSQZRISUNCFHX-GOEBONIOSA-N 429.477 0.975 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 557746358 ZFHPRYLQFYMJRK-UHFFFAOYSA-N 441.513 0.937 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCCN3S(=O)(=O)N(C)C)cc2C1=O 572677538 NSAZQKVWOQQJHW-HNNXBMFYSA-N 434.518 0.859 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 579171133 DBIOXFQTXUGREV-INIZCTEOSA-N 428.470 0.767 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 579426319 JCHIQDZMOXBVGM-UHFFFAOYSA-N 436.537 0.399 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 608911322 AGVKSPWKDPRCNV-UHFFFAOYSA-N 432.452 0.235 30 20 ICED COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1-n1cnnn1 610193531 LNNIVTSOAOSOLM-UHFFFAOYSA-N 427.446 0.802 30 20 ICED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 611003822 KMRSUIVJPUDDDE-AWEZNQCLSA-N 448.505 0.078 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1C#N 619875554 QLOULLNZWIXAGG-QGZVFWFLSA-N 430.461 0.574 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)N3CCOCC3)CC2)C1=O 725766160 UTDDNCIULNIZSY-QFIPXVFZSA-N 425.489 0.854 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 729029619 BEQGDWSXUKWRTK-UHFFFAOYSA-N 429.454 0.879 30 20 ICED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(S(=O)(=O)N(C)C)c1C 732910262 NMIDQKUFKXUONZ-OAHLLOKOSA-N 441.531 0.133 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H](C)CS(C)(=O)=O)C1=O 735224015 JYERNNKBDAMPHF-YGRLFVJLSA-N 427.504 0.916 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742481679 ZEMQTZSJMRCMQE-GDBMZVCRSA-N 434.518 0.354 30 20 ICED COCCN(C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 754279841 QFYBKXBEDLITBV-YRUBURHZSA-N 432.564 0.681 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 761032738 MLPXHSDWVWZJDQ-KRWDZBQOSA-N 442.488 0.869 30 20 ICED COCC#CCOC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 762768596 KMDNGDCDPLVMJU-UHFFFAOYSA-N 435.502 0.720 30 20 ICED C#CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 768211699 CMGMFJOZRHZXBB-UHFFFAOYSA-N 449.554 0.853 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)c1 774239405 KSBRYARGKLLXAB-UHFFFAOYSA-N 428.467 0.609 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)c2cccc(Br)n2)C1=O 776364073 AUJBNCBPPREJTB-UHFFFAOYSA-N 425.239 0.800 30 20 ICED Cn1nncc1S(=O)(=O)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781738954 WNOWEJZQRUCPKI-UHFFFAOYSA-N 431.434 0.656 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(Cl)cs2)c1=O 782793769 UBXBOZJRTKBLFM-UHFFFAOYSA-N 446.985 0.925 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 783349729 ALGRGWQCNYLMJA-AWEZNQCLSA-N 433.490 0.738 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCS2(=O)=O)C1 788849805 OCTGPCZOAKRNFD-CQSZACIVSA-N 440.547 0.142 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1cccnc1N1CCN(C)CC1)c1cc[nH]n1 789964501 VCDKQWYCRXVGTO-UHFFFAOYSA-N 429.481 0.157 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)Oc1cc(C#N)ccc1I 798463583 IZRFYVRXIRZOEH-UHFFFAOYSA-N 444.272 0.811 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[C@H](C)O)cc1 801290840 JUNOBDXOYVTOQD-JXFKEZNVSA-N 443.529 0.638 30 20 ICED COc1c(C)cnc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 803672423 XDVDKODWHUXVCW-UHFFFAOYSA-N 425.493 0.586 30 20 ICED CN(C)c1c(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(=O)n(C)c(=O)n1C 807955654 DGJUQXBHIWZNRG-UHFFFAOYSA-N 449.537 0.166 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CCN(C)CC1 920398109 CBJSTOSKPIJOSU-UHFFFAOYSA-N 447.586 0.207 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1116157373 UUBXOFPZCDAMOG-UHFFFAOYSA-N 441.553 0.701 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)CC2)c1C#N 1230073396 LMIIPOOXSNSMDO-UHFFFAOYSA-N 444.584 0.228 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)F)c1 1302988125 WBIKPGCSVPEFMS-AWEZNQCLSA-N 430.419 0.412 30 20 ICED N#C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1309998893 MKCCFNNSNBUIRU-DZGCQCFKSA-N 426.520 0.919 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1360714765 RPBIHMHTLXXXNB-LSDHHAIUSA-N 439.542 0.020 30 20 ICED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)S(C)(=O)=O 1515706155 INFLQLLDWUITAY-KRWDZBQOSA-N 445.549 0.800 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1619598616 PGUKHTNIYJMBHF-MOPGFXCFSA-N 428.493 0.819 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1620347372 STEZHIITKHXCAC-ACJLOTCBSA-N 436.469 0.645 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1642919151 JYNUUKSZPBJFIT-UYAOXDASSA-N 434.562 0.992 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 1705748228 IIGLXMJMZJIKFC-UHFFFAOYSA-N 443.899 0.968 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1712880401 IHJLVKAAIXFMLK-KRWDZBQOSA-N 444.517 0.632 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1729739611 MQTNZEHUCASVQK-INIZCTEOSA-N 432.506 0.755 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777714736 RVJUKOPCNOFTCS-NRFANRHFSA-N 426.477 0.948 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccn3n2)C1 1777814848 ZEORBJJEZOYJKB-DRSNIGMVSA-N 425.489 0.895 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSC(=N)N)C2 1780739474 KRRWYWHVSPXCSJ-AUUYWEPGSA-N 426.539 0.636 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3cccc(F)c23)C1 1781427080 XKQZYLBBKFBNCN-IIBYNOLFSA-N 428.420 0.689 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783116203 CNECPLSFRWRDRD-DENIHFKCSA-N 442.553 0.725 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783455174 GFVDABCSVAAHHZ-FQEVSTJZSA-N 447.492 0.496 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783641068 APZXJDJDBOEJCY-RVHYNSKXSA-N 436.509 0.490 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783926874 ILMFAWFAWIJPOI-IFMALSPDSA-N 436.505 0.131 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1784384999 CBDJKVQSTCZLBI-OAZFKPDISA-N 425.485 0.845 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cnnn1 1784601163 CNLMTDHFKFJNOB-RNODOKPDSA-N 435.448 0.126 30 20 ICED Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](C)S)C[C@@H]43)cnc2c1 1788045063 AGEGWCLJTOPACN-OHFALNGGSA-N 430.530 0.915 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)n1 1789904599 AHZWRTQBXUWURO-ZVZYQTTQSA-N 426.452 0.662 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1789955083 JVVAEAONQUOFQX-RFGFWPKPSA-N 437.415 0.873 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c1 1790271480 VUWAOEBYYZUAJV-JBACZVJFSA-N 426.517 0.792 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)C[C@@H]21 1791073091 LQYWEBRDBJNYHF-HKUUKSEGSA-N 426.469 0.350 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1792484738 MAYAONOGMFXBOJ-CAVRQXDJSA-N 444.444 0.649 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)CCC1=O 1792836164 IWWXSBANYDMDGO-VPTLXERWSA-N 442.903 0.889 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263281 SSWPTSAIXSEVNB-AXVVYFOYSA-N 445.516 0.916 30 20 ICED C=CCO[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 1793354610 FCAODPKXNAGUAG-IBTNMTNLSA-N 446.504 0.173 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2 1795598874 CSYRSVYLHNFXDJ-CCWDJLKJSA-N 442.495 0.958 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599044 MZMXITXDIVDPQW-BMFAXAFESA-N 428.537 0.753 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795680012 SYEJJTFIXXJHRJ-BMQTXXJKSA-N 430.505 0.571 30 20 ICED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)cnc2c1cnn2C 1796074641 KKGWXJZWRRJJOY-NFFDBFGFSA-N 433.534 0.889 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2n(n1)CCC2 1797514991 XFPBDNRSGXRPPX-TYGXFAMMSA-N 431.493 0.562 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)c(C#N)c1 1798487266 RUIDPEOHDBNYPJ-WEMPKCCASA-N 442.516 0.398 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)N1 1806635821 KJVGXGAJGKQNBA-ARIWPUADSA-N 443.504 0.895 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806767159 VPWAWIYDDWNQFE-AEFFLSMTSA-N 435.550 0.414 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810360537 OVQUUZRHQURQOY-QAMHDZDCSA-N 445.476 0.725 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811540773 LJIHSSYRLJNLGY-SZVBFZGTSA-N 440.460 0.665 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813023773 ZUCQEBWOELBJJQ-LXGFNABISA-N 439.468 0.931 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)C1 1829671368 ZAGNVYGQFHUYHQ-LTMIRXACSA-N 431.533 0.810 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049563 BNNHISQDRIKZPH-HTAPYJJXSA-N 429.521 0.998 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831403322 ZTQSLIHZSZVESY-KNQAVFIVSA-N 432.521 0.385 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2)C(F)(F)F 1832167685 ZQHUSCPMVTVTKY-KGLIPLIRSA-N 434.333 0.875 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832353772 KLSUBMTZKFEANR-NTKDMRAZSA-N 443.544 0.647 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccn(C)c3=O)CC2)CC1 1833465119 MDOZFWWTRGFVOT-QGZVFWFLSA-N 428.533 0.609 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1833475769 XRPNASJTWQWWIA-DLBZAZTESA-N 437.585 0.857 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834330389 JOJSNDCITVBMLO-QFIPXVFZSA-N 439.472 0.441 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)cn2)CCO3)cc1 1834584686 RENIKWVXKWKAGQ-HSZRJFAPSA-N 436.468 0.972 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605360 RFHIUIGCAVFCDJ-WCNTUGILSA-N 449.460 0.239 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccc(F)c45)C3)C2)CC1 1835346588 ISSMENJZHGIPDR-OAQYLSRUSA-N 427.436 0.847 30 20 ICED C[C@@H]1CCc2c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)n[nH]c21 1835362915 YPPPICOTADSWLU-CQSZACIVSA-N 427.505 0.733 30 20 ICED CC(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n[nH]1 1835677772 NYBQEKKVJRAFLB-QFIPXVFZSA-N 446.552 0.885 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835775745 JNUDBNNAMDFEDZ-UHFFFAOYSA-N 429.521 0.698 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ccccc13)CCO2 1836109397 PDLIERVKHCIDHG-HSZRJFAPSA-N 439.468 0.645 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)ccc1F 1836223230 MXGWSGLHRCUBDT-DENIHFKCSA-N 431.464 0.875 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1837394485 CAGSJKRVDLVMEQ-IIBYNOLFSA-N 436.509 0.384 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1837398773 IGWMSELPCKIJDO-XMSQKQJNSA-N 434.537 0.626 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837489731 SIFPWWCJXQCKQY-XMMPIXPASA-N 448.560 0.958 30 20 ICED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)COC1 1837530856 RXWBOLSIBBIKPZ-UWDDZFTESA-N 439.509 0.398 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837746869 OIQVAIJECZDESS-VBKZILBWSA-N 432.502 0.733 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838172496 XNHQJMQYRFEWJN-VGOFRKELSA-N 431.489 0.507 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1838434613 DDNFLFFFWJXYNN-IBGZPJMESA-N 434.537 0.830 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839415197 VZZXYLGAUKQMRH-SGTLLEGYSA-N 425.463 0.689 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425313 VDHVYGIURVHXQB-NRFANRHFSA-N 448.907 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546984 VDFPUCJNCFTUFO-JTSKRJEESA-N 441.488 0.146 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840160173 AOULCFBBVHSUQV-SGTLLEGYSA-N 440.478 0.387 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1)c1ccc(O)cc1 1840222061 BMGTYVBCTNZPHF-GEQKSPFYSA-N 430.501 0.726 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384616 DEEPCUISWVHLLA-AVRDEDQJSA-N 434.537 0.693 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1845188245 YFYRAJOYKPEDMN-UHFFFAOYSA-N 449.529 0.953 30 20 ICED N#Cc1cccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 28775806 NXMFMWAAWJNFRL-UHFFFAOYSA-N 442.457 0.391 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)C1=O 59407367 RLQFREGTHQPATA-UHFFFAOYSA-N 427.417 0.864 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nc1 428795460 RJPUROQIZCOFAQ-MRXNPFEDSA-N 427.486 0.643 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440394378 ZJDQVPSGOXPXHK-UHFFFAOYSA-N 426.454 0.109 30 20 ICED CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 447418114 PHVRQOYEXUUTKZ-QFIPXVFZSA-N 438.488 1.574 30 20 ICED COc1cc(OC)cc(N2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 468588960 JLXQCWKKKMHSRO-UHFFFAOYSA-N 426.477 1.491 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCC(=O)OC 479378987 FYVXCCBTYGDLSY-UHFFFAOYSA-N 442.497 0.072 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 480481558 KFSFDBKZDNAMMY-LJQANCHMSA-N 432.484 0.914 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCC[C@@H]1O 481538682 FMGLUHAMTJLZDX-OALUTQOASA-N 434.562 0.874 30 20 ICED CCOC(=O)c1cnn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C#N 498618595 QHCKSLHFPHFLNV-UHFFFAOYSA-N 447.473 0.591 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCCCOC(C)C)n(C2CC2)c1=O 505701120 VALOJKXKBUCLHY-UHFFFAOYSA-N 429.546 0.721 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 517143788 IKNWNXWSDWGLHB-UHFFFAOYSA-N 442.501 0.491 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C 519563140 FXQZTLOFGDEXMA-AWEZNQCLSA-N 428.464 0.835 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 525511017 HNOVSSQXMSKFGA-UHFFFAOYSA-N 447.517 0.893 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 539374560 SPOXMTFILHGWCH-RTBURBONSA-N 446.621 0.989 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 549943181 QZWZSHAFZPIVCJ-UHFFFAOYSA-N 440.548 0.753 30 20 ICED COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 552625205 TUWNRNZOHYJOLS-QUCCMNQESA-N 449.529 0.995 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 554673178 PYQGNXKQAARFKH-QGZVFWFLSA-N 439.559 0.793 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 557342874 QZJNGQNPNJLFSV-UHFFFAOYSA-N 439.516 0.755 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)c(F)c1 561782596 FRBBIQGKEMXXHP-KRWDZBQOSA-N 437.479 0.921 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 566877325 HFNHQCRUYYNPGQ-ZACQAIPSSA-N 427.509 0.554 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 577307084 JMYPLQSBTQSRRI-OAQYLSRUSA-N 448.491 0.921 30 20 ICED C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 579138701 KQRVSTCSOGFXKB-CHWSQXEVSA-N 426.481 0.560 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 604927734 MBDZJZUAWYCAGD-KRWDZBQOSA-N 434.518 0.589 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 609220878 NEKWEXXMRLAMOY-UHFFFAOYSA-N 440.525 0.136 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCOCC2)cc1 609666503 GCLVKBXELGBJII-UHFFFAOYSA-N 425.507 0.773 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2F)c1 610085163 WXGIYKCWVUVZOY-UHFFFAOYSA-N 426.451 0.522 30 20 ICED COc1ccc(Cn2nccc2NC(=O)C(=O)NC2CCN(CC#N)CC2)c(OC)c1 611130218 GWXYCCMFIGPBTO-UHFFFAOYSA-N 426.477 0.991 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O 729673033 CFLUIRVJQMJRSK-UHFFFAOYSA-N 439.584 0.354 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1 730564086 HNWRYFLVQIOPAZ-UHFFFAOYSA-N 443.525 0.363 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 733364913 VFBYFKKUMZXZFY-UHFFFAOYSA-N 425.577 0.873 30 20 ICED C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 742700179 QEGNGAJQZBIRLH-GFCCVEGCSA-N 439.519 0.384 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1 746411560 KOBLDUWHPFYKPU-UHFFFAOYSA-N 429.868 0.464 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(F)cn2)CC1 751835478 UWBYYQYYYARJDP-UHFFFAOYSA-N 432.433 0.782 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=O)NCCC#N)c1 753491431 WXFGYJGRIFAJNE-UHFFFAOYSA-N 448.295 0.560 30 20 ICED CC(C)N1CCC(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 767629810 KDZIUNKHWSWDCC-OAHLLOKOSA-N 436.534 0.757 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3ccc(Br)cc32)c(=O)n(C)c1=O 771892785 UYKWLPXMAXNRJZ-UHFFFAOYSA-N 443.279 0.312 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cc[nH]n1 772310527 FTJBAYNZEWQODM-JFIYKMOQSA-N 439.472 0.967 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCN1C(=O)OC(C)(C)C 774358973 WZAIUKPZIKLOBA-FQEVSTJZSA-N 431.497 0.137 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 783349869 CVIAITWUYPSPOZ-UHFFFAOYSA-N 449.485 0.561 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 783478480 CXOKFHXIYPRLED-CYBMUJFWSA-N 442.877 0.479 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 787374854 IDARMNPULKQEJQ-BPDSDUPGSA-N 443.522 0.844 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 787754124 CHSMYNKQGPRRDH-IBGZPJMESA-N 434.500 0.831 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 787757490 DUMMPMAVKZVOGF-IBGZPJMESA-N 440.479 0.810 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)s1 787763270 KAIYDOQDBFHJKU-ZDUSSCGKSA-N 435.531 0.835 30 20 ICED C#CCn1ccc(CN(CC)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 788824190 IMZQVYAPTVUVGX-UHFFFAOYSA-N 429.502 0.299 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(F)cc1C 792990861 YUZZTTFOVLCXKF-WUKNDPDISA-N 432.408 0.892 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC=CCC2)c1 797372234 WSLAFQOYUSTJDJ-NKFKGCMQSA-N 433.534 0.816 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 799798760 YRZDUCFARJJMJF-STQMWFEESA-N 444.535 0.632 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCCCCC4)O3)CC2)c1C#N 809674860 GXGDTNOBLDLSSB-KRWDZBQOSA-N 444.536 0.831 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856703528 AMDPEIMKOLSRCG-JLTOFOAXSA-N 447.517 0.767 30 20 ICED CN1CCN(c2ccncc2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 919860776 HRYNPVVFCQVJOT-UHFFFAOYSA-N 428.518 0.901 30 20 ICED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286959908 IRYRAXSFIKOBBM-CABCVRRESA-N 446.537 0.803 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)C2=O)cc1 1324563355 IITNLKAQLHKJGL-IEBWSBKVSA-N 448.483 0.966 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359473824 IUFGTCGDHWKQOF-DOTOQJQBSA-N 433.538 0.845 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1516860169 NQGFQVOMZRUPFR-SSEXGKCCSA-N 430.534 0.880 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1618578309 VSSIIZGQFVODRG-QFIPXVFZSA-N 437.504 0.638 30 20 ICED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)c(CCO)c2=O)n1 1634284938 NVTXJFKZMITGTA-UHFFFAOYSA-N 447.499 0.941 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1697007577 RGJZAYRFVVPHFY-UHFFFAOYSA-N 425.493 0.970 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCS1(=O)=O 1709142232 UXZJEDPDERIPTQ-OAHLLOKOSA-N 445.553 0.253 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1723590886 NMODXLGCXRHPSM-KKSFZXQISA-N 448.547 0.801 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1751223195 KHMIQXROTIVPAU-OAHLLOKOSA-N 447.565 0.857 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1761479861 XYJJQXCHWKAFEN-OAHLLOKOSA-N 439.586 0.475 30 20 ICED CN1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1767515225 LZRPDGVTJIXFKM-IFXJQAMLSA-N 431.522 0.065 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1778980470 VVQMLXIFLSQKEH-DIFFPNOSSA-N 431.415 0.840 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100896 FVTLRAICYXPLPR-JPHFINKHSA-N 449.508 0.502 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)(C1)C2 1779105849 NWKOCOPBPDMINM-ZTUPISBZSA-N 449.504 0.689 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417723 MOVMAQODYUTFEE-HHXXYDBFSA-N 431.480 0.362 30 20 ICED CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1779623596 MGORFWVUOKDBRK-HVHIPWAVSA-N 433.509 0.955 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1780168936 KJESXDZMTDRMEQ-OAQYLSRUSA-N 425.445 0.945 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780334787 JGYFHUWAEACGRX-QFIPXVFZSA-N 438.488 0.630 30 20 ICED Cc1c(Br)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783567367 YYIIKVARLFBHIV-QGZVFWFLSA-N 439.266 0.023 30 20 ICED C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782463 WGOBHWSHQGKPDN-MNVSYLFESA-N 445.582 0.799 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1788656254 MOWPSOIBARETON-PPYUBFJKSA-N 448.476 0.208 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1790879292 SWBGEYBCVRLKHH-KKUMJFAQSA-N 440.447 0.448 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332404 BUPDAWOFPVYXJB-DWKCODDLSA-N 449.548 0.751 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1792138469 QGSJFZDIUDSRTA-YYFQZIEXSA-N 433.534 0.462 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1 1794679328 AQOAEKUVGOVJBF-XYLRTUKUSA-N 431.449 0.956 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cnccc2nc1C 1797361128 LKXMUKAJCZCWDN-FEAZXBHQSA-N 449.511 1.000 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803457804 LMBBZPDFJHVDOT-KJXAQDMKSA-N 448.527 0.971 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810386904 DBAKUUQPRNVMDD-JBBDFWGCSA-N 425.445 0.908 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1811887875 RYGRLQQBMKCGSB-ZJOUEHCJSA-N 434.500 0.866 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813573783 IUJXMZQDSUHDHM-MJGOQNOKSA-N 449.577 0.804 30 20 ICED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1)C(=O)C(=O)O 1821608301 NNWBSPKPWYZMRT-JTQLQIEISA-N 430.446 0.112 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)n2cnnn2)CC1 1823749348 JKRVPCFKMZJGAO-GVWYBQPMSA-N 429.525 0.712 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1828281169 IRPOIZRGHDJMJU-JQWIXIFHSA-N 438.506 0.282 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1830639228 OCDBFVXQLOHKHT-XMMPIXPASA-N 448.608 0.849 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831217954 FMWPHHMBHRCUPH-KRWDZBQOSA-N 427.383 0.307 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1831392713 MUAUPBMZNHKRNT-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1831396512 NJJNRVNETDCUMV-SCLBCKFNSA-N 427.910 0.905 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831484578 ZVVBFUWQCIGIGC-QUCCMNQESA-N 429.583 0.704 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831488055 VHBHBDZUFDRBFQ-UZLBHIALSA-N 426.583 0.679 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831726934 DUVNUSGCSUATPP-QFIPXVFZSA-N 437.456 0.367 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832893299 UXKDUZJZRIOJBS-NRFANRHFSA-N 444.513 0.823 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833168621 CRAZYOQEMIVRJC-QFIPXVFZSA-N 439.447 0.800 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834764842 FMNTZWHOIQMOGY-IBGZPJMESA-N 439.465 0.213 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC(C)(C)O)CCO3)C2)c1 1835268702 PYVJNRPVYMIQGC-JOCHJYFZSA-N 431.489 0.798 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835268930 VBGMXBDPKYWLLZ-XCKVFWMBSA-N 427.498 0.133 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339848 VHXMMLFHIYRTDC-VGOFRKELSA-N 427.505 0.752 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835681430 WWGPLOZWMFPBCR-UTKZUKDTSA-N 438.594 0.868 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3cccnc3)CCO2)C1 1835684604 HBQWWPNKZMRMBN-HMFYCAOWSA-N 430.505 0.377 30 20 ICED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835797570 AKQVEVHAUAHUKE-INIZCTEOSA-N 428.537 0.743 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837200931 CQOFMYRTLCVRNS-IIBYNOLFSA-N 441.525 0.500 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837397118 QUXBPLNFIYLPJC-CVDCTZTESA-N 442.516 0.977 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440630 QKCIGTDEOFTSME-QDAQPVAASA-N 435.569 0.399 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCCN1 1837492655 NNQWTCUORYPIDA-FYYLOGMGSA-N 433.549 0.284 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837531089 CGIYJECFKZYISP-IYNODDHASA-N 433.465 0.076 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCCN1 1837531559 PNCUCZVRCYFVFV-HWPYVSANSA-N 438.525 0.114 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1837532293 BEHKJXZYOFDQQH-ZMELMJDUSA-N 425.482 0.008 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567901 XVSWMXCRLXQSLH-IWPBPTMCSA-N 443.504 0.688 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838076778 RZVDVJDQNURSNS-IBGZPJMESA-N 440.422 0.922 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1838580590 LTJREOBQVBFQJL-QFIPXVFZSA-N 437.456 0.741 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839222337 KOVKHHCQSXFBPE-UWJYYQICSA-N 435.525 0.528 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(F)cc1F)CCO2 1839263710 AZUQKQOVFOOPQF-LJQANCHMSA-N 442.802 0.776 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(F)c(OC)c1F 1839417110 BARQLGAHEROTOH-HXUWFJFHSA-N 439.415 0.966 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623012 IQPFBKGPUFBUTQ-VFNWGFHPSA-N 447.467 0.530 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692841 VECZYLCSHQOQSA-JOCHJYFZSA-N 427.505 0.144 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)C1 1840895351 QLIIJBHWBZNRQA-IBGZPJMESA-N 439.559 0.269 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1841056469 KQQBGFDUMQPTLM-FPLPWBNLSA-N 449.504 0.905 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846372054 CSICXOVNHAIFGP-STQMWFEESA-N 429.539 0.965 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1847080889 NWYBYKAGBYTVAG-JLTOFOAXSA-N 441.550 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(C(=O)OC(C)(C)C)C1 1847261869 KFBSIUHHGPEPLM-YHLLGKTKSA-N 432.521 0.914 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 18174443 BNLBWAFSNPRMHH-UHFFFAOYSA-N 449.514 0.744 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 109411415 SGLXZEFGWCTEHD-UHFFFAOYSA-N 425.441 0.942 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCO1 409504318 UJFMGASRVGMQGZ-AWEZNQCLSA-N 427.914 0.365 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(C#N)c(F)c2)C1=O 427284566 NXYJSNLQKCYSSK-UHFFFAOYSA-N 445.432 0.991 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)cc1 428290981 OVJUXYKKPVDDGG-UHFFFAOYSA-N 446.533 0.883 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 434592159 SPCIVCKZOGOZIX-UHFFFAOYSA-N 427.552 0.548 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 446787885 UKBIFNOLIMOMOO-UHFFFAOYSA-N 447.455 1.540 30 20 ICED C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(CCS(N)(=O)=O)CC3)c2C#N)C1 471043451 LCLDBXFQMCYMFC-AWEZNQCLSA-N 439.607 0.979 30 20 ICED Cn1c(CCC(=O)N2CC(O)(CC#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 473364363 DHFZTOYIIUDTCK-UHFFFAOYSA-N 447.517 0.014 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1 477012194 OIFPNZQIQNFKHM-UHFFFAOYSA-N 435.531 0.384 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 479919203 YVKSISKGSULFNP-CYBMUJFWSA-N 444.469 0.767 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(C#N)cs2)c1=O 481970949 BKNPHMCUDMGNLA-AWEZNQCLSA-N 426.523 0.827 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 485678781 AELPZGRPWQASSV-HNNXBMFYSA-N 428.488 0.176 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 488638957 PWDUYNYWRWJQSB-SFHVURJKSA-N 438.488 0.874 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 500009015 BXHAKOHIKWQSPE-GOSISDBHSA-N 436.534 0.365 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC)cc1 503504991 XODFZDJVGHSYNF-CYBMUJFWSA-N 431.536 0.371 30 20 ICED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)cc1 504845641 JWCSQLJCVOLBLO-UHFFFAOYSA-N 436.468 0.933 30 20 ICED CC(=O)Nc1ccc(OC[C@H](O)CN(C(=O)NCCn2cnc(C#N)n2)C(C)C)cc1 510626702 DXALWNQVYFGIOW-QGZVFWFLSA-N 429.481 0.968 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c(F)c1 512742690 BQKPWPCWVIKHDY-IBGZPJMESA-N 443.523 0.963 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c(OC)c1 515546998 LUKHTSQHGHNWHT-LJQANCHMSA-N 431.533 0.930 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)o3)c2=O)cn1 523180667 BKJIEHMPMXCFBS-UHFFFAOYSA-N 427.486 0.283 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523466792 PNRJGEFYKGZJPP-UHFFFAOYSA-N 442.497 0.980 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(C(F)(F)F)c1 543681891 CNGWBCPQNZGEBL-LLVKDONJSA-N 426.442 0.771 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546907005 BUQNJEAFFVGJSX-UHFFFAOYSA-N 431.449 0.783 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 550276958 JKRRAFGEKPFGJC-OAQYLSRUSA-N 427.549 0.675 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)C2)c(F)c1 554158489 KAXUUHLKBSBJKA-AOMKIAJQSA-N 427.480 0.911 30 20 ICED CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 560762970 IZSFMIZVYYOKRF-UHFFFAOYSA-N 437.504 0.566 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 561432760 MIUONCCOQXFNPC-UHFFFAOYSA-N 439.493 0.393 30 20 ICED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1C#N 569637222 UDVVGNITCOAEOC-UHFFFAOYSA-N 430.515 0.822 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O 576909979 QEFMABMZPHDDTP-UHFFFAOYSA-N 448.405 0.917 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 583728986 IDEUOFXDLZWNDZ-UHFFFAOYSA-N 429.502 0.840 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 590897642 HXJOQOTVOVKBCJ-CYBMUJFWSA-N 428.470 0.658 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1C 590983839 KMXSNGMGBOKNSD-UHFFFAOYSA-N 440.569 0.324 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 603738057 LMOJYTBVDBORFX-UHFFFAOYSA-N 435.527 0.876 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 611409205 JQNGIBWDPWHSLB-JKSUJKDBSA-N 425.580 0.471 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 677959135 OULBBITYZFCGDY-UHFFFAOYSA-N 438.431 0.927 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccsc2)c1=O 729673593 WZRQMXNITZYQKF-UHFFFAOYSA-N 437.568 0.141 30 20 ICED N#C[C@@H](C(=O)COc1ccc(F)cc1Br)C(=O)N1CCS(=O)(=O)CC1 732908793 RLVMSKYAAIZLTD-NSHDSACASA-N 433.255 0.933 30 20 ICED CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 733671943 ZYICYAHYNXKUBQ-CYNURGJPSA-N 435.550 0.848 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2CCS(=O)(=O)C2)C1=O 735225511 KTPQUFGXKCXBMU-RISCZKNCSA-N 425.488 0.670 30 20 ICED C#CCN(CC#CC)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 742003177 RXRFWANCEICQSV-UHFFFAOYSA-N 447.495 0.540 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 747921198 OPIBNSIRIVSAFK-INIZCTEOSA-N 449.577 0.548 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1 749181969 MVMJCVUPLZOBKY-UHFFFAOYSA-N 449.533 0.580 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 750518765 TYNRHTSHTKYNGG-HIFRSBDPSA-N 442.563 0.434 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCOC 753356274 AVKCNSSASLLSJW-UHFFFAOYSA-N 432.502 0.090 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 761023631 JJPSFVNNOUNKME-UHFFFAOYSA-N 440.323 0.042 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(F)c2)c(=O)n1CCOC 782600979 MEUWFGVIQHUUEJ-UHFFFAOYSA-N 431.489 0.899 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCS(C)(=O)=O 790429483 QLYMAMMCILITMV-CYBMUJFWSA-N 449.554 0.476 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCS(C)(=O)=O 794627212 BJCRNDVXJXBKKP-UHFFFAOYSA-N 436.559 0.460 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 796185290 VPBXOQZYJGUSDF-UHFFFAOYSA-N 436.458 0.967 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 801290258 CBEURIVVIINWJT-UHFFFAOYSA-N 444.473 0.879 30 20 ICED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 802553882 ITQJLDHFUOYQGL-UHFFFAOYSA-N 428.888 0.905 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1 803561484 CLKXBINDVDTTND-AYHJJNSGSA-N 432.546 0.412 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3C)CC2)o1 915367671 NJOFXQKDJRKIML-UHFFFAOYSA-N 447.473 0.316 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)OCC(=O)N4)CC2)o1 915372050 ACUUWYJPEXOKPN-UHFFFAOYSA-N 425.401 0.691 30 20 ICED N#CCSCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915386031 AWAMGZOHWSGQEF-UHFFFAOYSA-N 427.504 0.124 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1OC 916199642 JXCUHULLWIQPIN-UHFFFAOYSA-N 443.525 0.745 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CCOC)CC1 916199977 QEFZJPMHODWNAF-UHFFFAOYSA-N 440.569 0.532 30 20 ICED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916873322 SWCALKZZIOAKKH-AWEZNQCLSA-N 427.479 0.554 30 20 ICED CNC(=O)Cn1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 918634030 HKEGTZOIJTWYJW-OAHLLOKOSA-N 432.506 0.721 30 20 ICED N#Cc1cccc(OCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 919417285 XMDHNDPZKJDAEA-SJLPKXTDSA-N 436.486 0.675 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1314886143 MTPSVWSXGIOBGT-UHFFFAOYSA-N 444.439 0.976 30 20 ICED C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 1339082894 OHMRETDDQUDEGM-LPHOPBHVSA-N 426.521 0.763 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1CCO[C@H]1CCCCO1 1341801002 BJAAQKNBLZCZNS-RDJZCZTQSA-N 438.506 0.314 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1CCO[C@H]1CCCCO1 1341801005 BJAAQKNBLZCZNS-WBVHZDCISA-N 438.506 0.314 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)c1 1505122130 PCWCHNJHQPJYPZ-DNVCBOLYSA-N 433.490 0.229 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccs2)C1 1505140411 JEOUDLIIXFVDIA-MLGOLLRUSA-N 441.514 0.558 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505320267 VYWWIUKUDMIPSJ-MRXNPFEDSA-N 444.517 0.490 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1515734380 LISACGCZGMYNOL-DOTOQJQBSA-N 439.586 0.691 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1541675648 SCXXDQBGFIFAGP-FUHWJXTLSA-N 430.557 0.314 30 20 ICED Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1543107288 JWDQFVABMGFPCF-BONVTDFDSA-N 428.519 0.733 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1626675694 PDWIXODKURYUHK-SUMWQHHRSA-N 425.532 0.651 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1656256665 OMNOXOFRIZKHIM-INIZCTEOSA-N 428.580 0.733 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778256359 AKFBYCDGGGSRMI-DEOSSOPVSA-N 439.560 0.568 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779102715 IPGDQEMYDCIGHZ-HVHIPWAVSA-N 431.493 0.802 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccco1 1779105766 UTELQZGQXNZWRW-CRESJJQNSA-N 448.476 0.368 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697739 VUBOATYPWCTVMU-QMHKHESXSA-N 448.483 0.610 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781200219 CAXIAYWSYSOGHY-QFIPXVFZSA-N 435.521 0.771 30 20 ICED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781964236 WFJRKKXRJHXNCU-JOCHJYFZSA-N 429.496 0.388 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1783889170 QOKHRGAFTXYSRX-KPHUOKFYSA-N 441.550 0.713 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21 1784478997 RPQYASKYFYXAKE-IGGJEDBVSA-N 437.500 0.899 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc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c3cccnc3)[C@H]2C1 1787473465 XZAMJKIKIVYBRD-HVTWWXFQSA-N 430.549 0.504 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015297 AZRQGJNIDKAIDD-BQFCYCMXSA-N 439.520 0.604 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)CCC1=O 1788602011 IVYSBUOFRYBWFH-RXYBXQHJSA-N 432.525 0.046 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(O)c1)C2 1792490414 RYLJBOODOPUMRS-NOOKGOPLSA-N 427.501 0.773 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053173 RIBJZLQEPCSCSA-FEJSZKPUSA-N 437.496 0.605 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1795418058 ZZHMIUXTXWFJBO-XAPVIXHLSA-N 426.517 0.781 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)[C@H]1SC(=N)NC1=O 1796426111 JGPVJFVITBFWGO-ZQOQDGPXSA-N 441.513 0.564 30 20 ICED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)C(=O)C(=O)O 1796897792 NBMHNBHYIZDIGY-HWOIXAKWSA-N 433.486 0.668 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797810937 CSDYZEXPMWYTDH-FLBUZXSBSA-N 434.449 0.225 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797837168 QQROECNUPYEJPP-HNTQOGNASA-N 436.472 0.733 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1798104662 IGMXEVQZGIVSLM-SJSYYZABSA-N 432.477 0.822 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 1798357013 MVTYBQMKBMRCTD-BJWYYQGGSA-N 434.456 0.273 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cn1 1799883354 ARVCRGCURYYARO-HBCWATKFSA-N 447.455 0.750 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884376 UGZATBDHAGYJHD-AMVTXUCVSA-N 448.487 0.566 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1800590862 QQQMWUGLVJORFC-FZKCQIBNSA-N 437.541 0.750 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803557143 XTXPTOHIZSQGQR-SQGPQFPESA-N 443.504 0.668 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803559801 DNFFTRFFCBJSLA-MBSDFSHPSA-N 440.500 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804415986 SLSIYHDMRHGKGY-OXFYSEKESA-N 440.460 0.931 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1805169510 ZYWONCRASSEXCR-WZONZLPQSA-N 446.511 0.756 30 20 ICED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819891511 UEDRZIKKPWUQTR-NHYWBVRUSA-N 430.477 0.917 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C3=NNC(=O)C3)CC4)c2c1 1823892622 QZRHWUPTFADXEY-JTQLQIEISA-N 448.468 0.993 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830861611 ZZQMVFOTZYDDLD-FYYLOGMGSA-N 429.517 0.964 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831207928 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C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)CCO2 1832080250 JFSWWKRSIWZPOQ-VXKWHMMOSA-N 435.521 0.866 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833210058 WXBMZVBXDDYKAH-OJJSKHJLSA-N 447.879 0.912 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833332896 CIJVJFBMXVWHPL-OPAMFIHVSA-N 444.488 0.148 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1834084286 FLBKFOQRBRLRKR-WWCXEQRYSA-N 447.492 0.384 30 20 ICED COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835341295 WEPIXUVEVLPTBC-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1835679810 AOOSRKXPVXVWFH-JOCHJYFZSA-N 445.520 0.068 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1835681162 QSOCUDCMWBSYKI-GCJKJVERSA-N 436.553 0.541 30 20 ICED Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750801 OJLNUNQRMIJOJV-UHFFFAOYSA-N 442.564 0.699 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447975 XIIYVZDXSCEHMX-YCRPNKLZSA-N 429.477 0.619 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5cncn5c4)CCO3)C2)c1 1837123869 WRXDSTYCZUDHRI-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1837402017 BXMGZGDCFJTWDA-LTMIRXACSA-N 447.532 0.878 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837445219 KSLUYVVDJGKPIK-NMWDDECMSA-N 429.521 0.552 30 20 ICED COCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524451 BJJNYIGRQWDBJL-ZXRHXNHJSA-N 427.498 0.398 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837531643 RZHZZGYQAVAMJT-GSYMPFBVSA-N 446.504 0.610 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837532213 AMZPDPKFXBFFIZ-JWELCKPZSA-N 439.843 0.803 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550334 ZFROMOYLROAPMH-BTYIYWSLSA-N 434.493 0.381 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1837664038 BNERVQOAWVUKEH-IERDGZPVSA-N 441.525 0.500 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1Cl)CCO2 1837827385 FSBVCKBEGHFFMI-GOSISDBHSA-N 442.255 0.546 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)c21 1838437728 RCQHAZKWQXARIN-NRFANRHFSA-N 427.461 0.653 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1838579543 PFLNELDSEZSZFY-IRZJEQJZSA-N 429.473 0.408 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1838583478 FJRJEUZALGNGDJ-HTAPYJJXSA-N 429.473 0.673 30 20 ICED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838907242 GQNDZMUKCNWOKG-OAQYLSRUSA-N 445.545 0.112 30 20 ICED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131912 HVLJHLHHHXXPGI-QFIPXVFZSA-N 431.489 0.602 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c(C#N)c1 1839132999 WVIQNAUHHYPDLG-JOCHJYFZSA-N 439.472 0.603 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839844063 DDKILTZLZPPYQN-KNQAVFIVSA-N 434.581 0.435 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840359028 DZXJOQLKCLQWEA-QFIPXVFZSA-N 438.488 0.619 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2=COCC2)CCO3)c(C#N)c1 1840562242 ISEORZGMPQICMZ-QHCPKHFHSA-N 441.484 0.870 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840563112 CAUYDICVJWGWJX-HSZRJFAPSA-N 428.533 0.897 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1840714128 VNYYJGNFDDAQTL-OPAMFIHVSA-N 438.488 0.826 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840795679 WIEJWHMRDNZQNR-JTSKRJEESA-N 435.521 0.936 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccccc1=O 1840814675 VFJCCZQATBIILF-VGSWGCGISA-N 428.489 0.560 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840957366 XAVXVOQWCOTEPS-OAQYLSRUSA-N 435.521 0.914 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1846194754 MLANUYYFLDKZMK-UHFFFAOYSA-N 431.832 0.357 30 20 ICED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)OC(C)(C)C 1846932602 GVKGDNFTEFUXSQ-ULQDDVLXSA-N 436.553 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(S(C)(=O)=O)ccc1F 1847261990 CQPGGBLPNGNMFQ-LUNNPTDRSA-N 449.504 0.903 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)C1=O 440245296 UNGBDNSBUQBAGK-LJQANCHMSA-N 427.505 0.539 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1=O 440259222 KKHPJAKVCPRVRR-HNNXBMFYSA-N 438.481 0.549 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1-n1cnnn1 442222378 VITXIQOWYUBULF-UHFFFAOYSA-N 432.444 0.830 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc1 442436885 JTPGXHIHJCFLQX-OAHLLOKOSA-N 429.433 0.670 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F 443259439 AHDIHAIQAFGANS-UHFFFAOYSA-N 445.469 0.928 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 471153393 FSGDFWLKEPQQMO-UHFFFAOYSA-N 434.518 0.749 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3c(nnn3CCOC)C2)cc1 476836855 XWYBCMHLTBAUJU-UHFFFAOYSA-N 427.465 0.755 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 481153982 GLAXCVOXFXZEJX-CJNGLKHVSA-N 432.477 0.825 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 497469792 WBZSGQDYOBUASA-HKUYNNGSSA-N 433.578 0.895 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)cc2)c1N 502093333 CAYRGPQLTLLOKH-HNNXBMFYSA-N 431.499 0.952 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527280123 XVXLWMCFJBCQAN-INIZCTEOSA-N 425.510 0.456 30 20 ICED CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H](C)c1ccc(C#N)cc1 533248331 VZICNWMVBCRQRL-IBGZPJMESA-N 427.549 0.944 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1=O 550379224 YNJCFDMDXXRBCZ-MOPGFXCFSA-N 432.496 0.561 30 20 ICED Cn1cc(Br)c(=O)c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 566768875 DCKZNFAIVDVJSS-UHFFFAOYSA-N 425.264 0.936 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)Cc1cc(=O)n2cc(Br)ccc2n1 567492977 BTRAXLVTNPLBKW-UHFFFAOYSA-N 426.252 0.914 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)n(CCC#N)n1 572945282 SNAFVNZGZPDABL-UHFFFAOYSA-N 429.525 0.637 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)nc1 587659796 ZQACUUNITHOLHW-PMACEKPBSA-N 440.548 0.798 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159842 JFWJZYMINHLFEE-QGZVFWFLSA-N 447.499 0.096 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 603796093 MEOOBMYOSCRTAK-UHFFFAOYSA-N 440.569 0.517 30 20 ICED CCN1C(=O)[C@@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)CCN2C1=O 610605651 OUHZNXHTPNLRFR-KRWDZBQOSA-N 430.509 0.920 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(Cl)c1 726960881 CEAUFAQGPLFQAW-UHFFFAOYSA-N 429.889 0.544 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 728573876 YVNULTOWPWKCJS-HXUWFJFHSA-N 440.544 0.878 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc1 729009242 SQUSMADHMVCMOX-UHFFFAOYSA-N 431.445 0.892 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 729888203 GCWJRVVODUEUEW-GOSISDBHSA-N 437.518 0.957 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 731723385 ZOSGUUOKAUYXDD-FQEVSTJZSA-N 435.436 0.731 30 20 ICED N#Cc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 748288069 AWHPBHNYILDFPL-HNNXBMFYSA-N 427.438 0.985 30 20 ICED N#C[C@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 756953728 KPXGABLZUALMPP-ZDUSSCGKSA-N 444.307 0.835 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758076032 OVLJYWSEILWLAQ-UHFFFAOYSA-N 440.506 0.530 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccccc2OCCOC)c1=O 758077388 PKWGCZZYXZGEOV-UHFFFAOYSA-N 425.510 0.597 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758088696 LACSLSXVIXIHJU-QITLCBANSA-N 445.925 0.965 30 20 ICED COC(=O)c1cn(C2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)nn1 758962526 LNLXRVFMIKFSFQ-NRFANRHFSA-N 437.460 0.998 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)c1 760395417 VBGDCYPBESKXCX-DRYIHEDISA-N 432.449 0.570 30 20 ICED N#CCOc1cccc(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 761155958 MBMBRGNBQOAZPG-IBGZPJMESA-N 435.546 0.869 30 20 ICED COc1ccc2c(c1)C(=NOCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(=O)N2 762705754 LXUCUKHFOVLZCY-UHFFFAOYSA-N 426.495 0.544 30 20 ICED CC(=NNC(=S)NCCN1CCOCC1)c1c(C)nn(CCS(C)(=O)=O)c1C 763127522 XJPLDFUGUPPJIX-UHFFFAOYSA-N 430.600 0.065 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCC3)C2=O)cc1 771073579 DDRHWSIALYOKJO-GOSISDBHSA-N 434.474 0.602 30 20 ICED C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 774295960 MKJDXKWEYISWSH-IGENRPNQSA-N 434.543 0.824 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CC1 782107141 ODOOQHUWGKXVHW-UHFFFAOYSA-N 439.516 0.282 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 783481549 PVUOEEPNBXXUBZ-CVEARBPZSA-N 438.477 0.971 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)o1 785649084 QWSSIMOLHWEPMO-KRWDZBQOSA-N 426.477 0.573 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 786492079 NXZYWCJCQOHUHV-HIFRSBDPSA-N 429.520 0.440 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)n1 789793788 QSTNZNNVQZCVDX-UHFFFAOYSA-N 446.485 0.694 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)[C@H](C#N)C1 793020431 JAZIDMWPYPRQCA-IAQYHMDHSA-N 445.451 0.925 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3c2OCCO3)c1=O 794647497 QTDGFUPPHLMHNX-INIZCTEOSA-N 436.489 0.813 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 806686407 ZIVLQCIJLZOTQS-HNNXBMFYSA-N 429.477 0.874 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@@H]1CCCO1 809306833 VXBRYWRKTBHVTG-OALUTQOASA-N 426.517 0.683 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 849119581 ZQVNZUUVWQERAC-LJQANCHMSA-N 436.490 0.665 30 20 ICED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC(C(N)=O)CC1 856694065 NCLGTGJBBSJDRB-ZDUSSCGKSA-N 436.490 0.148 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)ccc1F 914468796 OVIHDYSBSYPETH-AWEZNQCLSA-N 438.525 0.715 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 1116377782 NVVNPOIQCGTMBP-UHFFFAOYSA-N 440.456 0.699 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)NC(C)C 1303359627 AQUSGMJVGZCACG-UHFFFAOYSA-N 425.559 0.874 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1304906027 QGGBXMICCVKBJK-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1315072791 VCSYJUKXPMVKLQ-QGZVFWFLSA-N 434.522 0.752 30 20 ICED N#Cc1ncn(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1C#N 1473013381 UBPSNBPSVWAKST-UHFFFAOYSA-N 428.474 0.911 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)CCO1 1505322336 LXZFFIMKWYLPKJ-OAHLLOKOSA-N 425.474 0.938 30 20 ICED N#Cc1cc(F)cc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1626925977 ZOJZPVXUSBGRTI-OAHLLOKOSA-N 430.483 0.364 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1638983734 RDUCAKBBDLRROZ-HNNXBMFYSA-N 438.506 0.589 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1 1722797796 NVCIXAKDZKEORE-QGZVFWFLSA-N 428.541 0.523 30 20 ICED COc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1748884179 RGXJJDISMRWAIF-MAUKXSAKSA-N 447.517 0.997 30 20 ICED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1751238308 ULLPRQGKFPUUCE-GVDBMIGSSA-N 439.586 0.737 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1767848180 YMXANFIBEFYYSO-YWZLYKJASA-N 446.533 0.750 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCO2)C1 1770349621 PPYYDOPBHYDURJ-SJORKVTESA-N 438.554 0.920 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnn2c1 1778525190 ZJGPIFNEKYFUNS-YGPNGPECSA-N 439.520 0.953 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)ccc1F 1778832923 NQDFGAWBUVZUHZ-UZQCKINESA-N 440.475 0.905 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1778974935 UMKRCHKRPNEMHE-TXBYWVTISA-N 444.532 0.603 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779101426 LCCLVHUMLUGOPL-QHRIJPBDSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779101587 OCTDQNGCDJKXSQ-MEBQZGJUSA-N 443.464 0.097 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779789503 HGWDMTOZMIFDCN-RDTXWAMCSA-N 442.394 0.654 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180590 GETQUSZWCLAMAD-AVBTWRTFSA-N 430.509 0.721 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(=O)N(C)C)C3)c(C#N)c1 1780686527 GLGQNBMSFCLGEG-AUSIDOKSSA-N 442.516 0.711 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)c1 1781104921 VZYPWJIFIYMCST-QXATTWAWSA-N 428.464 0.961 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380210 QLOXVGAEVJETOP-ZHRRBRCNSA-N 426.473 0.458 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)ccc1F 1786572205 JGSXEGPJKXGHMP-CBVHJVASSA-N 428.464 0.498 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1787404834 BMJSDNFCQAKIAF-MUGJNUQGSA-N 441.532 0.917 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788469390 LGRUJYOCHLIFIT-RYLXDESZSA-N 444.488 0.145 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1788606233 AUNLSNMJMSWVNB-QOOMZGBNSA-N 428.537 0.861 30 20 ICED Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659326 XZCHNWAWOSSDLK-DOOCSIFFSA-N 431.493 0.907 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)N1CCN(C)CC1 1789573790 UMVRQVUOJNQTCU-MQGJPIDWSA-N 439.560 0.787 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793353856 SHMLLFRSMIZFHN-ZSBFGKGUSA-N 441.575 0.419 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416814 SCSBLQSBKZZXQM-DFGXFYAUSA-N 436.509 0.516 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c(Cl)c1 1796358041 XYGVKSMVFIFDRI-DPIQGUFMSA-N 443.847 0.930 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1799196443 QFBYXPIQQKCJKY-RHQZKXFESA-N 449.548 0.770 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684281 ZNHDZKSCPYZIDI-XFMPKHEZSA-N 433.452 0.631 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCN(C)CC2)C3)c1 1799799081 DQDKJMDODBIOAK-IUTQVRIDSA-N 439.560 0.707 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801531493 OJTBSJWONMNHCW-CWPLJXCYSA-N 437.493 0.264 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1803566258 IWFYYKHLEWQVSI-NMLACTOBSA-N 432.521 0.830 30 20 ICED N#CCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807737369 KSUSYPKXIWIACK-ACJLOTCBSA-N 428.474 0.466 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810357295 HOKYTQLSNJNBSN-LHPQDOFQSA-N 431.493 0.753 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)NCC)[nH]n1 1814437804 FGOBDGNJFDRVMY-JMBLZNSLSA-N 445.524 0.968 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819361016 NTMQJXIFHPRFOW-MJBXVCDLSA-N 432.481 0.573 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1826822739 PCLZGDNDMQFRNT-VQTJNVASSA-N 446.592 0.898 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829621829 VFNBUEDTEFTDFU-INIZCTEOSA-N 437.456 0.411 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1829763800 BPCKUDAFDFFHCH-DYRFGFBLSA-N 428.489 0.318 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1830061479 GYHGFWAKEVYIBR-FQEVSTJZSA-N 430.440 0.488 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831188845 WNTFIAOJFCLVNX-QRQCRPRQSA-N 446.479 0.682 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1831388570 UUKRXYNCQJPMPF-FTPWQXHLSA-N 447.444 0.696 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1831394077 VXKZGBWFNAAVDN-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1831396289 IYYHLIHALPKGSM-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831397415 XLGJJIIHHNSARR-VFNWGFHPSA-N 433.461 0.346 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831478200 OKTNQOPKSNBJQM-JOCHJYFZSA-N 446.479 0.682 30 20 ICED Cc1c(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1834400102 HWFACAIDIREGSP-UHFFFAOYSA-N 425.493 0.430 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1835356796 MGCBVPCSUKYUOE-NRFANRHFSA-N 428.445 0.391 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1835712513 INEKJZCGEDASFU-SFHVURJKSA-N 437.585 0.402 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836063118 KBZHZTOWAMHLSZ-UHFFFAOYSA-N 445.520 0.877 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837090991 SSWWXUXYSPTYEM-XMMPIXPASA-N 434.496 0.951 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837492762 RSFDVVBJQFIMPT-YKSBVNFPSA-N 447.576 0.483 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837524626 CTTDVXSMGMUPOC-XUYQLWACSA-N 438.525 0.068 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1837525590 XOLAMCXEVNTGIF-XTSMJKTBSA-N 449.508 0.328 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837668557 NVHIEQACRBTOQP-JOCHJYFZSA-N 433.505 0.360 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1838275937 ZHOPQBWXVPWIBA-YVABFXQFSA-N 443.504 0.765 30 20 ICED O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)=NN1 1838379440 OTAQXOIZTPFYEW-PXLXIMEGSA-N 432.525 0.333 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838731816 AZRKEVXTHIGEQI-FQEVSTJZSA-N 430.440 0.451 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CO)c(F)c4)C3)C2)c1 1838743024 XUIFXQWLAVAZLI-JOCHJYFZSA-N 442.447 0.902 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839176379 LXKVCFJGXHIEPN-QSNWEANLSA-N 436.505 0.520 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1 1839227711 XCAQNQPJQQQTHU-MGPUTAFESA-N 435.481 0.356 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839654788 LLVMBJGYQJDJMA-NRFANRHFSA-N 440.610 0.919 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1)C(F)(F)F 1839891725 UJIPMJUFLPXNCL-SFHVURJKSA-N 429.395 0.574 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(O)n1 1840041068 OBTYPHAHVKAKRZ-QFIPXVFZSA-N 443.456 0.064 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1840041112 QZPVOIMMMTZYFQ-OAQYLSRUSA-N 430.432 0.402 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnc2c1 1840160273 CUYMSOZRUXNPPO-YCRPNKLZSA-N 446.529 0.391 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840161246 JCRJMKOIDRIBTJ-KPZWWZAWSA-N 439.925 0.771 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840169104 KDXWNMCBUGNQOQ-QGZVFWFLSA-N 429.399 0.697 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840828265 SRJNWGXGVGZCRW-MOPGFXCFSA-N 430.448 0.998 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1841747307 LAGIRRDMQGJZBU-AWEZNQCLSA-N 447.540 0.992 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282786 HMEUGHJWTVGDTE-GOSISDBHSA-N 434.489 0.383 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 9083000 FJEGEOPGHHEBHS-SCLBCKFNSA-N 449.485 0.423 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179197 QTDWJXYFOBXKSY-IAGOWNOFSA-N 436.490 0.993 30 20 ICED Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1C#N 427137339 QFLPTNMVPXZQFS-UHFFFAOYSA-N 438.487 0.789 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437027035 QZYSGJYGDIOZJI-JXFKEZNVSA-N 430.505 0.993 30 20 ICED Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@H]2CO)cn1 444746689 GDVSZGIDLRFNKC-BVSLBCMMSA-N 440.523 0.976 30 20 ICED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446531978 OHODBOCWWFEKFL-INIZCTEOSA-N 431.493 0.673 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 447809429 YXQIXZUPIREHGJ-AQNXPRMDSA-N 430.505 0.715 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1nncn1-c1ccccc1 460597166 IRCBBPTXGGYFCT-UHFFFAOYSA-N 427.428 1.283 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cn1 460610552 YSNHCAVMYNVWIJ-UHFFFAOYSA-N 439.457 0.172 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c(F)c1 463767067 WBURYROSOGTVRC-RVZGQZMKSA-N 426.448 0.945 30 20 ICED C[C@@H](CO)N1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 470087419 QXIHMRXOQAAUSZ-KRWDZBQOSA-N 434.562 0.874 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)c1C#N 472167345 CBIIRZLZAORZCN-UHFFFAOYSA-N 427.553 0.583 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 475731051 CBSZOTBVEPTIIX-CQSZACIVSA-N 434.493 0.871 30 20 ICED C[C@@H](CO)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CCC1 483139819 PCUNBYFGBYIYMW-KRWDZBQOSA-N 434.562 0.874 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c(F)c1 504915072 QQFBQBSXUYXWOH-CVEARBPZSA-N 434.493 0.382 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 512835295 VZBYDKAPAWWJCD-LBPRGKRZSA-N 429.452 0.792 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 514411955 KUTDXEKMNPFLMX-SFHVURJKSA-N 446.552 0.077 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc4ncccc4c3)c2=O)cn1 523859809 HLUPMSAYOSNLMI-UHFFFAOYSA-N 430.493 0.913 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 524281930 HJKPJJLBMWKWHZ-UHFFFAOYSA-N 440.550 0.885 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 537046412 JOEVSJKXDKWCFF-FSSWDIPSSA-N 446.640 0.991 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)n1 546200359 HDSVLXHSHCARAB-UHFFFAOYSA-N 446.467 0.890 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 547823336 JIBPYNAFFPBRRH-UHFFFAOYSA-N 438.553 0.909 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@H](C)O)cc1 553241268 VUXTYFLCWXVUNL-KNBMTAEXSA-N 444.513 0.969 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCOCC 554149920 FFTDVWWJVIQMNV-UHFFFAOYSA-N 428.514 0.464 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C2=O)cc1 554690693 QNUDWMVSSHPHOX-TVTNDZMWSA-N 426.473 0.624 30 20 ICED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559010326 JBDFRVCRUKTZFM-HNNXBMFYSA-N 444.517 0.072 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(=O)NCC#N)n2C 561386731 MWXQYGIXQOWKFD-UHFFFAOYSA-N 434.522 0.292 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n(C)n1 568020114 CBPCSLQPDHXZCM-MRXNPFEDSA-N 433.476 0.905 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)CC1 569703804 CEXDVRZMLQTDFR-UZLBHIALSA-N 441.532 0.833 30 20 ICED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569759334 GNJYRDFEIMRIDR-XOBRGWDASA-N 436.516 0.873 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 573590451 QUQQJLDXWNOBJG-MRXNPFEDSA-N 441.602 0.455 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CCC(C)(C)C#N)CC1 574200856 GOKAUHYTPPTPJN-UHFFFAOYSA-N 428.580 0.982 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 579882101 QLXOMBCQAHDOHA-LJQANCHMSA-N 435.488 0.700 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)n1 589396623 KKXWGKVXCXIIMR-UHFFFAOYSA-N 435.419 0.692 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)s1 609416795 LWGAEBWAAGVPIV-UHFFFAOYSA-N 444.582 0.747 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1CC(N)=O 610003770 MVRNPGABFVLPDX-UHFFFAOYSA-N 440.525 0.138 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 610690224 UNHKCOROWNDEKI-CQSZACIVSA-N 446.489 0.313 30 20 ICED N#Cc1ccc(N2CCC[C@H](N3CCNC3=O)C2)nc1N1CCC[C@H](N2CCNC2=O)C1 618151485 WHKYGKDEQRFZSH-ROUUACIJSA-N 438.536 0.941 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 728866843 UJKSISYQYGPRMO-UHFFFAOYSA-N 442.335 0.360 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCC[C@H]3S(C)(=O)=O)nc2)CC1 741457028 RCUXFPOVZAUMET-MRXNPFEDSA-N 429.568 0.773 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1C#N 752407040 DWKUFGMHPQMHHB-OAHLLOKOSA-N 442.432 0.560 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 754436169 BYSFFRWYEUHXGH-KRWDZBQOSA-N 425.470 0.273 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc3c(c2)CCO3)c1=O 758067794 IJGZUGQLSNDQPQ-UHFFFAOYSA-N 431.473 0.890 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 762435127 ANBPSXYKAXDMMX-VXGBXAGGSA-N 428.287 0.482 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)c1 774448931 CMBANWWEBSSIGB-DJFNHCPNSA-N 438.506 0.706 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)[C@@H]1CCCO1 787562022 JUMBPPMXBUUGPF-PMACEKPBSA-N 442.516 0.261 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 802577245 ZPUVIKSVTPMGKO-UHFFFAOYSA-N 448.545 0.728 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 804554735 HGIDBYRMGUUHFO-IZDJOXEWSA-N 447.517 0.483 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCCO1 804595881 CODIBBOHLSGXPV-UFYCRDLUSA-N 426.517 0.297 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC2)c1C#N 806768848 QFMVIGZLEQHHHF-ZDUSSCGKSA-N 433.513 0.278 30 20 ICED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 809148677 GVCFNWVFKAYOKL-SNVBAGLBSA-N 430.280 0.781 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1 811830658 YLMFYQPMWBVQFS-UHFFFAOYSA-N 428.426 0.976 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273941 OVSXNJBAKPJSDQ-UHFFFAOYSA-N 439.488 0.503 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1F 914595621 AOEQSXSXFGYSBX-UHFFFAOYSA-N 433.508 0.929 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1OC 916924523 VHKWFVVTVFRHEJ-NYHFZMIOSA-N 442.472 0.792 30 20 ICED CCCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 919800929 XNDVFKJRINRBLF-PYCFMQQDSA-N 435.550 0.992 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318883466 DVHHOUFXEFGIBO-SFHVURJKSA-N 448.545 0.810 30 20 ICED C=CCn1c(Cc2noc(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)nnc1N1CCOCC1 1324298667 JCMUNFNZYNOLDV-GASCZTMLSA-N 439.476 0.726 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1622323468 JMGFUXDIMCVNSH-MRXNPFEDSA-N 429.568 0.365 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1690994088 VPTMFKHYMCYMOI-LSDHHAIUSA-N 425.559 0.887 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712886103 IVYMGDYROWBENO-FXAWDEMLSA-N 447.517 0.178 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)N(C)C 1727608823 XZQJDPAKYBKMBA-CQSZACIVSA-N 433.542 0.109 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccccn2)C1 1731012722 MSWGFPYGXSOOKN-GOSISDBHSA-N 445.549 0.989 30 20 ICED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N(C)C1CC1 1741802673 KHOSGKLJGCFAIS-VYDXJSESSA-N 439.586 0.832 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCN(C)C1 1741921149 OVFAZUBMWRGOBL-RDTXWAMCSA-N 425.559 0.085 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1743255597 UIJMSJIEETUQJY-VLIAUNLRSA-N 444.517 0.033 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1748295387 ZFRVDXUTTWQYPB-OAHLLOKOSA-N 443.489 0.878 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1751209125 YGBSKNWGJOFWJK-QWHCGFSZSA-N 434.588 0.840 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CCOC2)cc1 1771534883 RYELVCVMSCQCJF-NRFANRHFSA-N 426.477 0.582 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778354692 RFJMLZQAGDPNFP-XMMPIXPASA-N 438.528 0.032 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779101655 SDEQUOJQBOMTPN-AIQWMZONSA-N 447.492 0.848 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104944 POZAJSKFSZOAKH-MYHAECLISA-N 435.525 0.627 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1)C2 1779203785 ROAFVQUVTFDQRI-SFGWALBWSA-N 444.488 0.750 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1781271136 AKMOAZHTGINTHN-NRFANRHFSA-N 427.461 0.911 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1C(F)(F)F 1782010066 JEDWDWMSVZJCOL-KZULUSFZSA-N 442.394 0.654 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782017895 RALSCQLEZDFEFG-XMSQKQJNSA-N 427.457 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 1783529275 JVWGLQVBSCUBIE-CXLTZZKYSA-N 429.521 0.338 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783601156 WZYKJDYOTOVTFS-AXMACJOXSA-N 436.512 0.939 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1783914179 LDEDBRWRQHDTLZ-JOCHJYFZSA-N 425.489 0.899 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1784010280 UERFAXQJARZTTL-FDDCHVKYSA-N 427.501 0.807 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)CCC1 1785366999 VPOOYOCWALLOTI-OAQYLSRUSA-N 426.477 0.154 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380207 QLOXVGAEVJETOP-OPAMFIHVSA-N 426.473 0.458 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380874 ZVPUOJIGIJXCFR-DFXYEROKSA-N 433.530 0.926 30 20 ICED C=C[C@H](O)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 1788576590 VWTILYIDNQESTF-GVZUZGFXSA-N 426.510 0.155 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)cccc1=O 1788677116 WIQVGZNEXCMCFY-PPKZOYOQSA-N 426.473 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1789891116 DRYYXQDRPOFQLT-OWSLCNJRSA-N 433.509 0.403 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790688236 OSKNANBYDPCCIU-CVYDXHPNSA-N 428.489 0.235 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1791270997 HZAIXHGVEIIJLE-FFGOWVMKSA-N 429.521 0.240 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1[nH]nc2ncccc12 1796217654 PNAQDNIDTVKOCJ-FPPCFCSPSA-N 425.493 0.633 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797381834 IRBUEYOIULQKJE-FAQVEIGNSA-N 446.467 0.883 30 20 ICED CCNC(=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 1797700409 LKPOECLXGHLUMH-NYYTWLDWSA-N 445.495 0.537 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ncccn13)C2 1797709845 APBBWHOVAATJIS-YYIAUSFCSA-N 427.505 0.814 30 20 ICED CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cn1 1797738857 CFUCHYWZBXQZRG-SWAGHCSDSA-N 430.509 0.550 30 20 ICED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)C(F)(F)F 1797780616 DLBIMSSBRFURDE-CXHZTBPHSA-N 432.439 0.588 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797783275 KLUSVGHFKXJYRY-CWPLJXCYSA-N 429.473 0.395 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1797785367 PPSQUUUPADBZMF-AYMMHLMVSA-N 440.544 0.803 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1797818542 PYAXWQOTLKNZTE-QCRYDWBHSA-N 432.477 0.448 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1)c1n[nH]c2c1CS(=O)(=O)C2 1798520052 BWWTWKBTXUPQKO-FAKROUSESA-N 445.501 0.802 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)c21 1798693810 UFJATLVIVHNAJQ-ZSBFGKGUSA-N 434.456 0.996 30 20 ICED CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)C1 1799120417 KETXZBVFOXZFNT-VWNVYAMZSA-N 426.517 0.868 30 20 ICED 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)O)C2 1799232416 HAZONLUDEDRIPN-UYTYNIKBSA-N 437.537 0.654 30 20 ICED 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 1799353755 KYZANMKYESZQFG-AHDPXTMNSA-N 431.555 0.170 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2)c1ccc(O)cc1 1801058781 VCDZENKYDHZMSV-QSNWEANLSA-N 443.500 0.835 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1801764462 CXUHBZZLMLGKAT-PITHAFQJSA-N 439.472 0.115 30 20 ICED 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)n1cnnn1 1803094775 CIQDAWZERYENLU-ZOFXXKQRSA-N 445.524 0.789 30 20 ICED N#CCCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738717 VSQAGQZKEPPBAW-AUUYWEPGSA-N 442.501 0.856 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808845353 JFBFEDUCEUIOAQ-WMEZAQDKSA-N 432.525 0.481 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810328571 KCQKWTWBLMDOAK-LAUBAEHRSA-N 437.500 0.662 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1811888919 ALGVNLCTDVVCMN-FUDKSRODSA-N 449.511 0.923 30 20 ICED COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cn1 1817541434 KBPAKZSWTGIRJV-LLVKDONJSA-N 428.426 0.639 30 20 ICED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)O 1819773943 DBDWPIMYSFXOKK-GLMUZLNESA-N 436.538 0.590 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825198694 JKVYDPRDAMKCGH-DNZZUKGRSA-N 435.506 0.720 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826015163 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GSGXYJQDPZFQIW-IBGZPJMESA-N 428.555 0.442 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793374 KREADRGGGHTXJT-WMZOPIPTSA-N 441.510 0.202 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1833148920 OFHBFPODENBIOO-UHFFFAOYSA-N 430.509 0.682 30 20 ICED Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1833806266 JMKQKWWIPDHKKX-UHFFFAOYSA-N 426.517 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnoc1CC)CCO2 1834513937 KRAOPAREWNFHNA-RMUOZIPVSA-N 432.477 0.165 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1834572017 PHHJMMRPPPNKRM-UHFFFAOYSA-N 446.573 0.982 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1 1834714803 SRVVPWOEYSNJQE-UHFFFAOYSA-N 427.553 0.944 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835362665 RCMSPZDQWFWXCU-KNQAVFIVSA-N 425.489 0.513 30 20 ICED CC(C)n1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677280 FITHUVGWGWVSEF-JOCHJYFZSA-N 446.552 0.816 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835831257 ZHSCJYLOWUTNGE-SYXCRGJESA-N 443.548 0.961 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836856098 PNICSNWYRBWFMN-KRWDZBQOSA-N 445.516 0.338 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837213741 PDVGOYKAVJRJFA-ICSRJNTNSA-N 428.551 0.950 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254690 MPOGYBUTZTZXSM-UCMHMESESA-N 436.509 0.079 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837441792 GRQYGCCOTAKXRJ-UKKLRFBMSA-N 432.525 0.514 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837700109 FZJMNOLTQATKTO-OPAMFIHVSA-N 426.473 0.319 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5cccn5)nc4)CCO3)C2)CC1 1838117879 QVSFXZJBPDWEEY-JOCHJYFZSA-N 436.472 0.641 30 20 ICED Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838264196 WNDGLPWQCQTVAA-QFIPXVFZSA-N 447.511 0.881 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1838542277 FHBSPAOVQNKEQX-HXUWFJFHSA-N 431.449 0.644 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756085 SUAATNCPWGWRHQ-KKSFZXQISA-N 433.509 0.141 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049284 OBLBFDZQUBPIAA-QFIPXVFZSA-N 449.471 0.242 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839174284 QTTYYJHQUKBMHK-NRFANRHFSA-N 434.493 0.157 30 20 ICED COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839224073 NVFYXUOBMQHUEF-HRAATJIYSA-N 434.493 0.961 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839225599 NYFYRQWOEIOJIY-KKMKAZDVSA-N 431.555 0.402 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c1 1839452334 WDAZQYYJYCBXTD-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1)C(F)(F)F 1839892662 AGPXOHASBFSQGD-GOSISDBHSA-N 439.394 0.918 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1)C(F)(F)F 1839893703 KQKGTLATSCWXSJ-SFHVURJKSA-N 429.395 0.574 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986541 RUNDITPMQQOGFP-OXJNMPFZSA-N 445.582 0.922 30 20 ICED C#CC(=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 1840018860 JAYPNQWMDOWOGP-PAODICLVSA-N 433.505 0.189 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840096655 DMDZJFVMMQDJHN-FDDCHVKYSA-N 428.485 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840405866 HMXYUSGOSXQATO-XMSQKQJNSA-N 448.520 0.718 30 20 ICED COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25173814 GJDGLCBVELISOV-GOSISDBHSA-N 436.534 0.568 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 64766063 PQNJKVGJZGMSKR-UHFFFAOYSA-N 435.440 0.394 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C1CC1 409585251 DAPCQIXOIBBKGX-VYDXJSESSA-N 448.615 0.397 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 410105079 HHHUPPJHUABJAH-MRXNPFEDSA-N 428.536 0.420 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](COC)[C@H]2CCCO2)cc1 435289370 NBANNJFBVAJPFC-DLBZAZTESA-N 425.507 0.742 30 20 ICED C=CCNC(=O)Cc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 445347116 XBTZGQGWPRMRTN-UHFFFAOYSA-N 447.517 0.380 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO2)C1 460895452 KZBNGHCNLVESQO-DLBZAZTESA-N 438.554 0.920 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465186585 GWRMQJBNGZUJDA-OAHLLOKOSA-N 444.517 0.624 30 20 ICED COc1cc2c(cc1NC(=O)C(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)NC(=O)CC2 467572840 QVIOSVYZSJZFRB-ZDUSSCGKSA-N 449.471 0.917 30 20 ICED N#CCCN(C(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(Cl)c1 470219741 MMQVVXBKXSKMSG-ROUUACIJSA-N 440.953 0.674 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 471315703 SJQZLQODCMLMPI-OALUTQOASA-N 448.545 0.016 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(O)c3)CC2)cc1 471397235 UGYAOBFKUSYTPD-UHFFFAOYSA-N 428.470 0.527 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489242122 ZCYUKCWNUSQWPT-QGZVFWFLSA-N 445.501 0.342 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 489257068 SQMWJBMGLXOQBD-KRWDZBQOSA-N 441.469 0.061 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)n2)cc1 491397415 BXIKFVFDXPEOLQ-ZDUSSCGKSA-N 435.366 0.416 30 20 ICED N#Cc1cccc(NCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 494530194 IXVKYTOVKRQZBY-UHFFFAOYSA-N 428.518 0.633 30 20 ICED COc1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OCCCC#N 506141109 PFGUPNRALKFJMA-UHFFFAOYSA-N 430.505 0.881 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 508815292 ZFJGMSSNGIXCTB-HUUCEWRRSA-N 425.559 0.657 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508886531 BOEKHQIICKXZAE-OAHLLOKOSA-N 427.575 0.065 30 20 ICED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 509002182 SNGAVRKVZBVMME-UHFFFAOYSA-N 444.469 0.967 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@]12C(=O)Nc1ccccc12 513667034 QKWUKVWVABDRIO-RNODOKPDSA-N 425.470 0.618 30 20 ICED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 519302753 ODRSDBQTGWECTG-IRXDYDNUSA-N 429.587 0.318 30 20 ICED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 545368882 LJBDWVKFTPKZAO-UHFFFAOYSA-N 429.498 0.942 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 548617148 QMKAXBXPEHECHK-NSHDSACASA-N 435.864 0.296 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 549279658 JZEOOEPGOXKWAF-MRXNPFEDSA-N 441.602 0.455 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 550849481 LGBMEQXZZBYODK-UHFFFAOYSA-N 443.335 0.363 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCN3CCC[C@@H](C)C3)CC2)c1C#N 556172207 XKZRKBPSIWMXJE-QGZVFWFLSA-N 429.569 0.877 30 20 ICED N#Cc1ncn(CCNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 557810413 XPQFDGFJCFKNGZ-HNNXBMFYSA-N 433.494 0.106 30 20 ICED CS(=O)(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 563485565 SFEFDGWZQZKMMM-UHFFFAOYSA-N 439.457 0.765 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1 579033204 AEHSQUKVLHSRCI-HXUWFJFHSA-N 446.511 0.828 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 603581387 YFBZEGRTEDXHST-SFNKJDCFSA-N 429.587 0.401 30 20 ICED C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610424015 QSLGRFCKNBGNIK-YFTGLANFSA-N 439.472 0.623 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCC(=O)OC)c2=O)cn1 732562885 MXTBLMDEJQEUKP-UHFFFAOYSA-N 431.518 0.107 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)CC1 748817218 YESDHVAXMQHWDT-NRFANRHFSA-N 432.952 0.949 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)n2)cc1 754516753 YJRKMBBEUZGLRQ-RTBURBONSA-N 434.456 0.737 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CC1 754619716 YRTUCBAEUJTHIR-VGOFRKELSA-N 439.472 0.888 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2OCCOC)c1=O 758051571 MUKYBYUPNRTRSZ-UHFFFAOYSA-N 439.537 0.843 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(Br)cn2)c1=O 758070626 VWTHFDQRFYXFDN-UHFFFAOYSA-N 431.315 0.728 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 758467013 FFWUKAHBSWQNCU-UONOGXRCSA-N 447.583 0.423 30 20 ICED COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 762941326 JNFBZTPVNBHUMH-SJCJKPOMSA-N 445.453 0.781 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[S@](C)=O 766644803 OYJMWXOGMISHPR-SRBIXLKPSA-N 442.563 0.711 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)CC1 767067863 YIQBVWWIKPNHEQ-UHFFFAOYSA-N 427.549 0.419 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 769727364 LTSDWBYKSBNENV-UHFFFAOYSA-N 428.426 0.365 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 777385740 PBBZKLAIGYAOMY-UHFFFAOYSA-N 431.489 0.569 30 20 ICED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 779549705 NIROVGIOVBBOCH-VLZWWNORSA-N 449.533 0.550 30 20 ICED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785210830 RUDPRFYDNIVKKG-GTMGWDBPSA-N 437.522 0.278 30 20 ICED C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786068623 CHDUFRFKKYEYMA-NHYWBVRUSA-N 429.389 0.495 30 20 ICED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 786550799 YUSFAFMRELUGOJ-SFHVURJKSA-N 444.513 0.993 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060413 MKKJREFOBBURAN-JVNHZCFISA-N 440.412 0.472 30 20 ICED C=CCn1c(-c2ccco2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190665 GNASVMQZFFHJEO-UHFFFAOYSA-N 446.533 0.821 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 802552341 SMEJAZZWJWUELV-UHFFFAOYSA-N 448.451 0.881 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812984222 UPVHXCIAWKZSGU-UHFFFAOYSA-N 433.468 0.293 30 20 ICED C=C[C@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 814541740 SRMCVPDFLPNWJM-INIZCTEOSA-N 442.490 0.523 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)CC1 843500938 DKAZWIJRJLNKHU-OAHLLOKOSA-N 442.563 0.244 30 20 ICED CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1=O 915370245 OPVJOCQQIVSEHA-UHFFFAOYSA-N 446.464 0.157 30 20 ICED C=CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919818190 PDNGKJWXDOWOIJ-HNNXBMFYSA-N 428.532 0.526 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1298012231 VFNKMCQXSQIOHH-WBVHZDCISA-N 439.476 0.752 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1298128650 WYMSKQXPRUQLCH-QGZVFWFLSA-N 428.518 0.966 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2F)CC1 1351769974 HIDHDOQMTQKFLS-UHFFFAOYSA-N 432.315 0.785 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cnn2cc(Br)cnc12 1474930996 PWDMYXJYNVQIAG-UHFFFAOYSA-N 443.327 0.728 30 20 ICED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1492911982 UHYDAPOFNWXCBB-INIZCTEOSA-N 425.584 0.142 30 20 ICED CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505147371 SKWNRKQGTJZJNH-UHFFFAOYSA-N 430.538 0.373 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1513924446 ZTVNWVMGVYBACE-QGZVFWFLSA-N 429.550 0.996 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1521063055 MEAZGVQKVIJHBQ-PBHICJAKSA-N 444.558 0.603 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212966 RUCMFARYNXUQEU-YMTOWFKASA-N 426.545 0.876 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1741212013 VCHMWVDIHBJYLV-INIZCTEOSA-N 445.524 0.996 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1741711063 LJHLXRKRULVADR-LJQANCHMSA-N 437.570 0.972 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1748295386 ZFRVDXUTTWQYPB-HNNXBMFYSA-N 443.489 0.878 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1751090174 YECNWYALAQMYKO-AWEZNQCLSA-N 432.510 0.699 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c2c1CCC2 1779100582 BLBYCSNSRJMGOO-ASPARNDVSA-N 445.520 0.881 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1779363528 BQMYONIHTCECTK-JZHSHKQJSA-N 449.581 0.882 30 20 ICED O=C(O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364124 RAIIJWRUBUKTRG-RNRNXMBVSA-N 440.566 0.790 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780598612 AJGJLQLLIBLWAM-QHCPKHFHSA-N 444.451 0.718 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781269704 IEXJZTKOZOYVCG-QFIPXVFZSA-N 441.488 0.611 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781650631 XIHHVWBPEKZACC-MIALQEHNSA-N 428.551 0.669 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)ccc1F 1782959839 LQTDUJNEXCQTHO-NQIIRXRSSA-N 449.504 0.647 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc3cccnc3cc1F)CCO2 1783566023 VVNCMEAVYDGRDB-QFIPXVFZSA-N 425.416 0.834 30 20 ICED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783641066 APZXJDJDBOEJCY-JHVJFLLYSA-N 436.509 0.490 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784519468 VSRGKIZCIVGRTH-XGMBKXDVSA-N 439.534 0.359 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)cc1C#N 1785196537 WFHCESKWPYBXBH-OAQYLSRUSA-N 449.529 0.834 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1785382826 FZAREHHVKGYODB-JOCHJYFZSA-N 437.456 0.024 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1785522763 HRXZKUNHCSXYFA-NPJIFZGSSA-N 439.509 0.935 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785589153 BHFKZXBWORKYPA-KNPMLCFXSA-N 427.548 0.397 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)CC1 1788603693 NQBVQEOZQOEMEG-UBZBMESMSA-N 434.537 0.781 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)c1 1789259018 DXLQXNJRHWOOAS-FVCZOJIISA-N 440.500 0.686 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1Cl 1789268122 SUKNYSPEQBICHJ-XIRDDKMYSA-N 444.923 0.645 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21)C(F)(F)F 1790881894 XRRGFUKAVOHFFU-HUBLWGQQSA-N 441.410 0.338 30 20 ICED 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)C(F)(F)F 1790882503 MBRLWGYOWJHANF-QFEZGCEISA-N 448.467 0.887 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)[C@H]2C1 1791239046 YOQHYKABZUSCBQ-XUFBONQXSA-N 434.533 0.984 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1792837206 RJYRPFFLIVGENH-YVWYUNDQSA-N 426.860 0.678 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)cc(C(N)=O)cc1C)C2 1793344918 VFUZNLDEYJFEHK-BOLBYERCSA-N 427.501 0.644 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795420083 YYVMWXXCRCOZJQ-WXQHOCMDSA-N 436.509 0.108 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)C3)c(C#N)c1 1799240694 FDSUZWKKTOLSLF-YUWIWESASA-N 425.485 0.591 30 20 ICED C=CCC(=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 1801000366 KMQLOWLESOBXGZ-DCHBRCABSA-N 449.548 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1802484346 ZOFYMVHPIMELFX-VBSMBOKZSA-N 425.489 0.224 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806770135 WMJADHUDWOHTPN-QFBILLFUSA-N 437.518 0.641 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1810352093 RWMHRRUCBBABEO-ZFGGDYGUSA-N 449.511 0.923 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389244 YBEBNIKTYCSTEN-HFTRVMKXSA-N 432.477 0.222 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1)C(F)(F)F 1812392066 KVUCHPGFKIYTLT-DZGCQCFKSA-N 442.394 0.749 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nn[nH]c2C(F)(F)F)[C@H]1c1cccnc1 1812878502 WZYITUIZVANGNS-NHYWBVRUSA-N 436.350 0.626 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)nc1 1822199709 XGGWXESFNBFCTQ-HNNXBMFYSA-N 445.457 0.602 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824668656 XZPXGUGALMQZBQ-RNCFNFMXSA-N 428.536 0.553 30 20 ICED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829346675 XWFPOPSDGKTRDE-LDBYXDLTSA-N 449.577 0.043 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(=O)c4ccccn4)C3)C2)C1 1829671583 BRPLOQOGYMXXLZ-GAJHUEQPSA-N 442.516 0.623 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898870 KRRQYWIDWZTKHZ-UZUQRXQVSA-N 442.516 0.472 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1830634399 CMMHABKKMRMVHI-UWJYYQICSA-N 442.578 0.892 30 20 ICED O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1=O 1831216554 RNGSYWKTCKJDME-QHCPKHFHSA-N 437.452 0.305 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1OCCc3ccccc31)CCO2 1831249223 GDMRNAASFJXHGN-WMZHIEFXSA-N 442.468 0.235 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1831387326 OPRTUIJQQPCXHT-AUSIDOKSSA-N 435.565 0.602 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1831418245 ALFSSWASWGVOEX-ACJLOTCBSA-N 425.511 0.241 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833354336 ZCNCBHKZVXWCSY-VBKZILBWSA-N 449.508 0.795 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1 1833468016 HZHUIKROHGYBOP-KRWDZBQOSA-N 438.532 0.953 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985416 GIVMAJXHYAMTPN-CRESJJQNSA-N 432.477 0.681 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834711578 GKPSAIVYQIJYMT-KKSFZXQISA-N 439.509 0.501 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1834766002 QKHVFKPJLXJFIT-QFIPXVFZSA-N 441.488 0.892 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)no1 1835342525 UECDHZCJNSQAJJ-FQEVSTJZSA-N 431.449 0.072 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835827584 XXYNDTXGKORMSH-CUWPLCDZSA-N 436.578 0.882 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836214186 XVKMIPFJEAOEPO-JTSKRJEESA-N 438.488 0.675 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837375182 NRNPHLWCZUBALT-VGSWGCGISA-N 436.553 0.919 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)[nH]1 1837486436 FOHBCIODEGVNPY-JOCHJYFZSA-N 430.505 0.487 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842089 TXKBCPARSHTULJ-ROUUACIJSA-N 438.569 0.151 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1838581614 CWFCSQBWUDAYEM-FQEVSTJZSA-N 447.517 0.264 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)c1 1838732448 SBJZPCYTWOZBGM-JOCHJYFZSA-N 443.504 0.359 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838830578 GGLRMCSZDCRCQG-VGOFRKELSA-N 448.520 0.518 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839007606 KPCJTZVDPVJOTR-QJKPHDSHSA-N 449.454 0.893 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060586 ZNDLMPAWOCVJIK-HCQBAUJFSA-N 446.504 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1839174346 VFUOWKHFPDCWFT-NRFANRHFSA-N 433.461 0.367 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1839176576 VZAQKHDBQYZMLJ-LAVAIGHBSA-N 436.530 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546986 VDFPUCJNCFTUFO-VGSWGCGISA-N 441.488 0.146 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1)C(F)(F)F 1839893713 LFEUYINGMAYTKV-LPHOPBHVSA-N 448.486 0.197 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1840044793 YGRCNHRESMMBEL-KSFYIVLOSA-N 446.887 0.914 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089891 LAANAPMZBWYZBP-LPMFXHHGSA-N 431.555 0.674 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840198357 AUHPEIACUNXEGU-FTRWYGJKSA-N 430.567 0.130 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275251 CTMJQHMWWLCFRA-XFYJMZHFSA-N 425.526 0.795 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1840356015 UGLIXNDZTUBNNR-JOCHJYFZSA-N 438.488 0.239 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1840920644 CNGCVQIDRZWLGB-XXBNENTESA-N 442.516 0.308 30 20 ICED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1)c1cccs1 1842563380 IKPABHHPSKULNG-SNAWJCMRSA-N 439.497 0.944 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1845188616 MMEJDTIBPVQGFV-UHFFFAOYSA-N 430.505 1.000 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847511875 UHXKOCQFHUPFCU-JYJNAYRXSA-N 437.541 0.356 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)CC2)cc1 110926914 QZMATYMEBJOZBM-UHFFFAOYSA-N 448.526 0.281 30 20 ICED CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 427849006 DNJUBOXOYQMJQD-INIZCTEOSA-N 430.896 1.563 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1 441748290 FPCUMBGTVVWRMC-RTBURBONSA-N 437.504 0.962 30 20 ICED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C1CC1 442398135 ZLHFCHIWDIVTFC-CQSZACIVSA-N 441.531 0.268 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nc(C)c(C#N)c1N 444357528 OTTSSUNANREVTR-UHFFFAOYSA-N 434.478 0.314 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 444403469 NIGBRFXXVGCXTN-MRXNPFEDSA-N 445.524 0.873 30 20 ICED COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)nn2)cc1 460713857 NZIWQDLQWWJBMF-UHFFFAOYSA-N 443.427 0.983 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCCO1 479369265 ZUVVJBFGRPGGDB-INIZCTEOSA-N 442.541 0.912 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 480663509 NVIYEUHLRMIRRY-HNAYVOBHSA-N 438.575 0.549 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 484377225 ZDUBEFQZKWBWOX-SFHVURJKSA-N 427.505 0.306 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486468258 KNYKCCAOVFLOCY-WOJBJXKFSA-N 440.548 0.901 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490426657 MRFMUEDDYFITTF-UHFFFAOYSA-N 449.533 0.332 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 493901098 QZYVNVDHOXUWQG-GOSISDBHSA-N 448.545 0.980 30 20 ICED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1n1cccn1 494041377 HOLVMHQBGHRXCP-RCCFBDPRSA-N 434.460 0.868 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCc2ccccc2)c1=O 502051489 MJLMNBBHBDXMNI-UHFFFAOYSA-N 449.536 0.248 30 20 ICED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCN(C)CC1 513151079 UEOMKSDPGQJLFR-OAHLLOKOSA-N 427.484 0.821 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 517886041 QKCCJLINCJJFNG-IAGOWNOFSA-N 442.559 0.959 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 520651861 MXYPMCVZVBQGBX-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)cc2C)c1=O 522284619 BNXQSCFZQRXJRW-UHFFFAOYSA-N 429.542 0.829 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 527088923 DUNXJSNCAIWHMX-UHFFFAOYSA-N 445.505 0.215 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 531940846 VPCZDVRHUMBQFA-MPBGBICISA-N 441.469 0.918 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNS(=O)(=O)c1cccnc1 532992033 WZCOLQUUALWEDV-UHFFFAOYSA-N 427.490 0.640 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 533518980 GOKSALXFOWRFSB-INIZCTEOSA-N 425.555 0.965 30 20 ICED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 541139093 DVAGTFBNOGUAFM-CYBMUJFWSA-N 428.836 0.988 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-c2nncn2CC)CC1 543556514 USQHWKYCDFKPAF-UHFFFAOYSA-N 425.493 0.350 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)C2)c(F)c1 554158494 KAXUUHLKBSBJKA-ZHRRBRCNSA-N 427.480 0.911 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 555033718 XMIRXGFNXMAFLG-KRWDZBQOSA-N 442.545 0.558 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 561710871 RMIYDRABFFHNNV-AWEZNQCLSA-N 438.410 0.271 30 20 ICED C[C@@H]1[C@@H](C)[S@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 562899405 IARDUNHFILNPGQ-GKWFENNMSA-N 438.575 0.232 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 602247190 QBRRUDLPAYZCAH-UHFFFAOYSA-N 447.469 0.606 30 20 ICED CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCN1C(=O)NC(C)C 680340135 WYJALPXFPJPDHL-ROUUACIJSA-N 448.568 0.387 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)nc1 684535550 RHEFOBCGLJLHEQ-HNNXBMFYSA-N 440.525 0.200 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 726857623 PPJHCTNYKGPUAE-QJOMJCCJSA-N 449.533 0.567 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727090533 BHUQBMSVDJNBLR-UHFFFAOYSA-N 443.261 0.894 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727815116 XLEJQEASOGDZIH-UHFFFAOYSA-N 425.539 0.753 30 20 ICED CCS(=O)(=O)NCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731696014 KKWASLVUXCBUDE-UHFFFAOYSA-N 429.520 0.441 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCS(C)(=O)=O 732564854 SAHTYTYLGAXBDF-ZDUSSCGKSA-N 436.559 0.289 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732797548 RESMBZOYOBKUJO-UHFFFAOYSA-N 443.529 0.422 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 744088380 BEWNXHBWEMSVET-UHFFFAOYSA-N 425.426 0.963 30 20 ICED Cc1nc(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 748206139 UYVATAWOJDHLEL-UHFFFAOYSA-N 432.458 0.853 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1C#N 752380902 DEUIUKLIJHTQFS-UHFFFAOYSA-N 444.492 0.734 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 755628774 VMCSYFGZGWJAPJ-UHFFFAOYSA-N 431.562 0.442 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758587433 YOXVGAFYJUCPIG-UHFFFAOYSA-N 427.530 0.191 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(=O)OCCCC)cc2)CC1 761023655 JPMSPRVHWWWYNY-UHFFFAOYSA-N 436.534 0.667 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 764036108 YKKAMOCIPWJQBK-QGZVFWFLSA-N 432.458 0.773 30 20 ICED Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(=O)n(C)c1=O 767425140 AGLJNBSZPZCEKO-MRXNPFEDSA-N 446.305 0.869 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(C=C)c2)c1=O 772310596 GXHFGZUNKNSMRI-UHFFFAOYSA-N 431.477 0.990 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc[nH]n1 772519615 ZJKYKTFBWXJHHI-CQSZACIVSA-N 428.405 0.083 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780062646 PZSFMQSXTIVEOL-SJORKVTESA-N 445.520 0.601 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ncccc2N)CC1 780075623 FDLAJHYVYLWHKD-UHFFFAOYSA-N 429.458 0.225 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 785069589 VWFOLHHYOFGMII-SFHVURJKSA-N 441.531 0.596 30 20 ICED N#Cc1ccc(N2CCC[C@@H](OC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785656207 JOPBUIHEJVQUJA-UYAOXDASSA-N 440.500 0.778 30 20 ICED COc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1C#N 787184083 LUQXSUIBMLRCSW-UHFFFAOYSA-N 449.467 0.071 30 20 ICED Cc1cccc([C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)c1 787611738 HCOKSCFIYCXASI-FQEVSTJZSA-N 436.516 0.980 30 20 ICED C#CCn1cc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 788216881 DEDGCQMRAXBBIN-UHFFFAOYSA-N 443.529 0.446 30 20 ICED Cc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 790893825 VXDGGBRMEXUCIV-HXUWFJFHSA-N 441.469 0.909 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 794645478 MUMXRCQDHBDSKK-HNNXBMFYSA-N 438.553 0.900 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)o1 801345934 QSGIRICTTRKBKC-AWEZNQCLSA-N 445.398 0.310 30 20 ICED CCn1cc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc1=O 809504625 OLEOVDDSUXFWRR-UHFFFAOYSA-N 430.446 0.690 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)cc1 814337757 OLZJSOUGGPZGLA-UHFFFAOYSA-N 428.470 0.456 30 20 ICED Cc1cc(Br)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CO2 814883378 LTGCQSKKAIKNOE-UHFFFAOYSA-N 443.279 0.230 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)cc1 816683190 WBHNILLJEZEYEY-SFHVURJKSA-N 437.587 0.878 30 20 ICED O=C(NCC(F)(F)F)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914857884 BTWLHAWLGCJLMW-UHFFFAOYSA-N 432.424 0.642 30 20 ICED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916902026 BJWOLYYMCWWOPO-OAHLLOKOSA-N 436.472 0.906 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C(C)(C)C#N)CC2)cc1OC 919350457 CBVOYJACCFPKMA-UHFFFAOYSA-N 439.490 0.630 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 920294476 KIFWEAHSSYHNRH-CYBMUJFWSA-N 428.536 0.046 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)c1 1302430728 YAXGETZELIXJPP-INIZCTEOSA-N 447.517 0.619 30 20 ICED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n(C)c1 1357282822 NFFGOLNKDFAMNY-UHFFFAOYSA-N 435.510 0.739 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCC#N)CC2)o1 1471237304 OBXRZZLQXFWMNZ-HNNXBMFYSA-N 438.506 0.667 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1472356948 RYMLSNVTSIWMLW-INIZCTEOSA-N 448.545 0.903 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1541112501 YJEVEFWLMGTGJX-AWEZNQCLSA-N 432.510 0.987 30 20 ICED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(=O)nc1O 1588211920 LZSSWJJUVNPMHQ-UHFFFAOYSA-N 437.865 0.007 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1661560713 SIUMPKSKFKNTJS-UHFFFAOYSA-N 436.538 0.873 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)CN1CCOCC1 1692747896 RWUMIGBGFFNZCB-PMPSAXMXSA-N 427.575 0.595 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1749809526 PDWWAPIGAWDNMR-IAGOWNOFSA-N 436.538 0.167 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1750063402 OUFIKMPPGWZPEX-AWEZNQCLSA-N 443.537 0.968 30 20 ICED CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750535432 SUOHEGHQBCDAJD-MRXNPFEDSA-N 445.549 0.544 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1767707407 ILVWSMYIOQRIBM-LJQANCHMSA-N 439.520 0.490 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1770749231 WERUOOFYHDOTFS-QGZVFWFLSA-N 443.489 0.781 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)CCO1 1771537644 RYCSQKUWUKDZBY-CYBMUJFWSA-N 434.403 0.826 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176318 GYNUFYNZNWFEBD-JTSKRJEESA-N 445.520 0.408 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C#N)c1 1779888074 XSQAEGVFKAGEPA-QHCPKHFHSA-N 436.468 0.886 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CCC1 1780160480 NBHLKGCOYBZFHA-HSZRJFAPSA-N 441.484 0.973 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1780807028 GYYNDLWIZHASKK-OBNJBMLMSA-N 441.525 0.917 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1781271471 SXMJOCWWCMVWCQ-QRWLVFNGSA-N 426.466 0.887 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781391067 NULJQCLRKPFRTD-ABAIWWIYSA-N 441.378 0.972 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781971269 SPJIQFYDEVHFSQ-RXVVDRJESA-N 448.907 0.806 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1 1783275798 IFWZHADKEOVFDD-ZDPZECHZSA-N 437.537 0.798 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1783768976 LTMBFILISCVKOV-QVKFZJNVSA-N 438.525 0.551 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1783819624 DWYUIMHVWYPNSX-ATIWLJMLSA-N 437.537 0.918 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783981525 YENIPQNVSFGVSF-SFHVURJKSA-N 442.369 0.819 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2)c1ccc(O)cc1 1784013454 DOEWGPWMTISSRD-PGRDOPGGSA-N 438.488 0.406 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784198190 YVSGIKCYSLIILQ-YXMSTPNBSA-N 445.582 0.560 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCNC(=O)c4ccc[nH]4)[C@H]3C2)CCC1 1785248296 XOZRRXBVTQDDPL-BQFCYCMXSA-N 427.505 0.808 30 20 ICED 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 1785574395 IVKBRVRVIBMMAR-WCJKSRRJSA-N 448.520 0.012 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1787405413 NMCMGUHHMMTFSH-HAGHYFMRSA-N 441.532 0.917 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788565201 ZWLLRFVGKHTHOK-VJANTYMQSA-N 448.564 0.372 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079081 ZYKCMLPJXNBKMX-KCMWZYNZSA-N 445.447 0.012 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1793340404 FTJPQOMRYMOVTC-XPCVCDNBSA-N 428.411 0.680 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[S@](=O)c1ccccc1)C2 1793346350 MLLWGNBZCUXWQK-JPFBJIMESA-N 432.542 0.811 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C)c(C#N)c1 1793640175 QRGPMOHJTLXLJU-TWWGPRNNSA-N 426.517 0.793 30 20 ICED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1793987466 YEMMQAPFRPVAFD-FEJSZKPUSA-N 441.528 0.921 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H](O)c1ccccc1 1795385118 RCNDTLCQWKWFGD-OOZVSQCVSA-N 431.489 0.839 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796185778 NOTBDLZVQDGJQF-MUJYYYPQSA-N 447.455 0.620 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)OCCO2 1796716529 IIXWJJFGJLPWMQ-FYVVFRBKSA-N 426.473 0.963 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)cc(C(N)=O)cc1C 1797733446 ASNWHOSNDVAMER-BOLBYERCSA-N 427.501 0.644 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1797782870 YYSDFNOPODBUBH-RMFSNUHRSA-N 437.500 0.631 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1799195686 GRDGFBPJHVAJQL-STEXWYFWSA-N 447.532 0.217 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1cncn1 1799327199 FWKKRIHLJBEXIB-NYYTWLDWSA-N 426.452 0.682 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c(Cl)c1 1799752405 REHITJMLYQHEQV-BKEDOTJMSA-N 430.892 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)CCO2 1800686573 GUQMYVUIDFSPGT-PVOANONBSA-N 439.512 0.612 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800990806 ZMVPEIXZTNJFMD-NOYSFJLSSA-N 437.537 0.781 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CC)C3)N(C(=O)OC(C)(C)C)C1 1801101942 NMHDEEGRPAUBTA-RZFLPCETSA-N 437.537 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)C1 1806001500 DYACPEQLDOCZPT-IAGOWNOFSA-N 427.567 0.584 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]1c1cccnc1 1808821002 VPJMBSICISNSLL-NZQKXSOJSA-N 447.532 0.807 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810346613 CXRVQCSREWPNGJ-YFVAEKQCSA-N 434.562 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)C=C)[nH]n1 1814437798 KADLHQYGIAGBMI-JMBLZNSLSA-N 428.493 0.951 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1819718225 UWRVXCZPJQWVFU-GWCFXTLKSA-N 444.517 0.831 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1826893441 AKBCLKZPCYCOIN-QGZVFWFLSA-N 426.583 0.933 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(OC)OC)C2)C1 1829260352 PJLGCCVJLZIGOO-JOCHJYFZSA-N 429.473 0.691 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829849405 VLXCIETWSVGNBO-RXVVDRJESA-N 425.526 0.340 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1830340878 ATNOTRVZWHFURJ-QGZVFWFLSA-N 448.520 0.667 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830654926 HXCOLGCKSAANRN-WZONZLPQSA-N 442.516 0.924 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1831393659 ZKWGJMZPVAUEJJ-UZUQRXQVSA-N 428.485 0.730 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1831402242 RHEZXQAPGPLRMA-JPYJTQIMSA-N 440.500 0.531 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831694756 SESCELDVPRRKBJ-HSZRJFAPSA-N 442.516 0.791 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370254 ICICSLHKRSDAGH-JOCHJYFZSA-N 432.521 0.819 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1832460930 JWYZNXNMPOKGSK-XVAXZDLZSA-N 438.546 0.705 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1833222521 FFGAHXXYPCAXNS-JOCHJYFZSA-N 438.488 0.390 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833303971 GPVLSKCGINLFAL-OXJNMPFZSA-N 436.534 0.205 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833764315 GWZWSZMOWCJCAY-SFHVURJKSA-N 431.537 0.350 30 20 ICED Cn1nccc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714626 BJRGCXBBEQOZOZ-UHFFFAOYSA-N 429.569 0.887 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988986 CSAMMFIUHTVMDZ-AVRDEDQJSA-N 434.537 0.382 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836392812 CAGBBUVBWDNVSP-XMMPIXPASA-N 445.479 0.851 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836594057 LFMDCCMIHFFVNV-DEOSSOPVSA-N 439.512 0.902 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883829 FZVNJSDMYNQSCG-OXQOHEQNSA-N 433.534 0.754 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1C[C@H]2C[C@H]2C1 1837288274 XGXIIRCYRDQWTM-JWIQCUOBSA-N 438.528 0.968 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837397037 LTFUKSHRJVQEDE-OPAMFIHVSA-N 443.504 0.372 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837526799 GOBMRXMSEVQBSE-XZCAYTCKSA-N 449.460 0.239 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837797476 OLAQCAJVUJKFND-FZKQIMNGSA-N 438.441 0.189 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845674 HEOJLDXOOVUPGU-QHCPKHFHSA-N 445.491 0.989 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837881265 SDZNOPSSXCFUGC-YOXWTLATSA-N 448.907 0.663 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)ccc1F 1838109479 SXTFMAPHDXWAQS-NRFANRHFSA-N 444.419 0.704 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474629 MSUUXXIZPUKZBW-BTYIYWSLSA-N 433.461 0.471 30 20 ICED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838509572 IVWZSQCBTIWUIC-UHFFFAOYSA-N 427.505 0.991 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838627660 HFDRBNWRNLKSTG-IBGZPJMESA-N 432.389 0.307 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC45CCCN4CCC5)C3)C2)c1 1838739557 YXFFYIKMHQHXOM-HSZRJFAPSA-N 441.532 0.975 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951516 UBUVLVUVGDGLKG-OPAMFIHVSA-N 443.504 0.336 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)ccc1F 1839187480 FPBAHTTURNNFKE-OAQYLSRUSA-N 444.419 0.704 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839223480 WSXJAWZGONTFJC-UTKZUKDTSA-N 434.493 0.718 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1)C(F)(F)F 1839892094 TVWRBJRPXAWFCS-KRWDZBQOSA-N 430.383 0.674 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1840715613 HZGIFADCLMTTGD-LLPLAXKASA-N 442.516 0.106 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2(NC(=O)OCc3ccccc3)CC2)C1 1843928325 BMNMIQCBCRJQAM-UHFFFAOYSA-N 425.441 0.737 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845202144 NGXHUNAFDPLUKI-AWEZNQCLSA-N 436.509 0.771 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 428262941 HHXYUDUGAFBIOC-UHFFFAOYSA-N 449.514 0.640 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441928926 OYEOGWNEGRPLHF-OAHLLOKOSA-N 431.539 0.370 30 20 ICED C=CCc1cc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 443467953 UQINJNSRHZXIPJ-UHFFFAOYSA-N 433.552 0.344 30 20 ICED CCCc1c(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)cnn1-c1cccc(C#N)c1 443685746 CXIJHSNMPUMIQI-INIZCTEOSA-N 445.501 0.565 30 20 ICED COc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ncn1 460585932 MSMFNFGDPPTMKP-UHFFFAOYSA-N 438.423 0.951 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461376875 RGZLQNHDLMQWLV-UHFFFAOYSA-N 438.509 0.632 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 465236530 PPOAEQKASFXHMZ-AWEZNQCLSA-N 427.469 0.050 30 20 ICED Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2)n[nH]1 472856792 YGRGBBWAFJLRHB-UHFFFAOYSA-N 433.476 0.981 30 20 ICED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 473192123 OFEFORRUTXKCGK-DZGCQCFKSA-N 429.433 0.063 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCNS(C)(=O)=O 474341054 HLGWEOFPKFZRSC-CQSZACIVSA-N 448.570 0.281 30 20 ICED CN(CC(=O)N1CCS(=O)(=O)c2ccccc2C1)S(=O)(=O)c1ccc(C#N)cc1 477233403 UQDYHZJQGSZCOS-UHFFFAOYSA-N 433.511 0.995 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 478753752 MBSQKLDSLPIJEA-NVXWUHKLSA-N 442.541 0.975 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(NC(N)=O)CC3)nnc12 478868239 PTSIRDNNVCQBKP-UHFFFAOYSA-N 441.517 0.982 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccsc1 479401242 WCZAKOAAKGMUEL-UHFFFAOYSA-N 432.552 0.991 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cn1 507519493 ZJFYEEGRFOZNNP-UHFFFAOYSA-N 428.442 0.927 30 20 ICED CN(CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 509632151 AACQZTJYGICPRL-UHFFFAOYSA-N 429.458 0.033 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc(CCOC)nn2C)cc1 510106655 QRECKAMFEZYKKG-UHFFFAOYSA-N 435.506 0.993 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 517197400 KCOWQFRWJAXNKR-GOSISDBHSA-N 438.488 0.791 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(C)c2C)c1=O 518704301 FILPRGLAFVRSBY-UHFFFAOYSA-N 429.542 0.829 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 519514871 WFEOBKOVQVPPSX-UHFFFAOYSA-N 449.519 0.314 30 20 ICED CNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 533424178 GJSSEECFIXLALQ-OAHLLOKOSA-N 426.477 0.913 30 20 ICED Cn1c(=O)c2nc(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[nH]c2n(C)c1=O 534217807 KCCVSDGGMVUTPP-UHFFFAOYSA-N 436.432 0.402 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 540868301 ZVFYKQGBLFEPHH-UHFFFAOYSA-N 436.468 0.695 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC(F)(F)F)c1 543141981 VVYCHJSZFCDGBP-UHFFFAOYSA-N 449.414 0.780 30 20 ICED CN1CC[C@@H](N2CCC(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1=O 552247130 COFONCHSMZBVLC-GOSISDBHSA-N 433.534 0.303 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 561413991 WMETZWPFXWPFJX-UHFFFAOYSA-N 445.539 0.466 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ncc[nH]1 574431660 ZALAXKAKYQYAMW-RBUKOAKNSA-N 449.515 0.404 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 577307083 JMYPLQSBTQSRRI-NRFANRHFSA-N 448.491 0.921 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1=O 580737199 WFHGBRKNAIGMDK-QFBILLFUSA-N 439.516 0.885 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 580913231 CTXMDAXBYCJDOC-QZTJIDSGSA-N 440.500 0.966 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 603806274 RKLWWNPVQUPBKV-UHFFFAOYSA-N 428.449 0.887 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 604472856 MOPFSRMYBFOOSP-UHFFFAOYSA-N 448.907 0.572 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 608796397 WQTMHMXBCVTJOV-UHFFFAOYSA-N 434.456 0.061 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(=O)N(C)C 610784068 QNCCCSMNBSLSQI-UHFFFAOYSA-N 448.570 0.487 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 616726638 ZQFJJDIYMCKWSK-UHFFFAOYSA-N 444.517 0.570 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)NCC#N)ccc2Cl)C[C@@H](C)O1 731233664 OEZJIIVJUGDLIS-VXGBXAGGSA-N 429.882 0.934 30 20 ICED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 732484008 NCXHYUBOMHIGSJ-WYOZQYPVSA-N 449.533 0.423 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cn1 746393885 DJFZNQWYFIKXME-AWEZNQCLSA-N 434.453 0.454 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)ccc1F 748664203 AMGRIVMCMNURFO-UHFFFAOYSA-N 433.527 0.691 30 20 ICED COc1c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cnc2c1cnn2C 752366306 STOHOFCIOFBRKO-UHFFFAOYSA-N 439.432 0.651 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC 753013430 IZRVTAQWVFKANL-BFUOFWGJSA-N 441.506 0.968 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 755538600 SPQCEBMQUGRTKZ-XHDPSFHLSA-N 444.427 0.615 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755673805 QDYHXDNSFZKTRD-UHFFFAOYSA-N 443.573 0.586 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2n(C)c1=O 757591434 UEZHXPGBSRLJKV-FZMZJTMJSA-N 428.449 0.121 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767959827 UVXDKQWRQYTADG-UHFFFAOYSA-N 431.514 0.518 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNS(=O)(=O)CCCC#N)cc1)S(C)(=O)=O 773343623 JDFRTSVZKYLEAA-UHFFFAOYSA-N 439.537 0.014 30 20 ICED Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(=O)n2C 780178674 FHAPPXBOQHZWDQ-HXUWFJFHSA-N 433.465 0.629 30 20 ICED N#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nc1 780643227 OSERDUPECRYVSH-MRXNPFEDSA-N 449.514 0.740 30 20 ICED CCN1CCN(C(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 783903696 SLHGEHGCUMNIBP-CABCVRRESA-N 436.534 0.600 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 785660669 LGYCBLAQEZFYPI-HOTGVXAUSA-N 432.502 0.449 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)c1 794643950 UZDXGOIMTHMZNP-DLBZAZTESA-N 427.526 0.784 30 20 ICED NS(=O)(=O)c1ccc(C/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CCF)cc1 797815534 UINBKEHEKSGQDU-SHUBJWRZSA-N 428.511 0.772 30 20 ICED Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccn(-c3cccc(C#N)c3)n1)c(=O)n2C 798801569 WTEIGWSGLXPOHK-UHFFFAOYSA-N 433.428 0.738 30 20 ICED C#C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C(C)C 799046008 ARCVDBBIAUWGGH-GOSISDBHSA-N 437.500 0.828 30 20 ICED C#CCNc1nc(NC[C@@H](C)N2CCN(C)CC2)nc(NC[C@@H](C)N2CCN(C)CC2)n1 804421928 VXMALJSZHWVMSS-RTBURBONSA-N 444.632 0.012 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 805735298 DMCBEPMCCYPLBG-OAHLLOKOSA-N 430.509 0.879 30 20 ICED COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1 806931151 NSYNRUSTDADHHA-CQSZACIVSA-N 430.461 0.695 30 20 ICED COC(=O)N1CCC(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 807373619 FRYLFRIJDFQHAF-UHFFFAOYSA-N 425.449 0.731 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 810472592 PTEQVZNUUNGAFS-KRWDZBQOSA-N 429.864 0.825 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 810777719 HYQMIWWAXGDFHW-UHFFFAOYSA-N 442.515 0.328 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)C(=O)NC)cn1 813562671 AVKHXDYJDMNSLL-AAEUAGOBSA-N 430.494 0.788 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCC(=O)OC 839328655 FSCKUICYCCIGMX-UHFFFAOYSA-N 431.518 0.016 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1 918583243 JFDJCRRHCCOLPH-UHFFFAOYSA-N 443.481 0.682 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 918957591 XSHAVBCLGNETFD-UHFFFAOYSA-N 435.502 0.389 30 20 ICED CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299534134 QIFZGDCWLOVTSQ-HNNXBMFYSA-N 441.540 0.789 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1301799744 KQVWFZLZBKEJQW-INIZCTEOSA-N 438.554 0.705 30 20 ICED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1313890060 XXVPMFOPROWDBC-IXDOHACOSA-N 439.586 0.549 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315427130 PDTSOAROSRWZHP-CRAIPNDOSA-N 446.533 0.964 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC2CCS(=O)(=O)CC2)cn1 1322999856 URQAQVJGSXWDPA-AWEZNQCLSA-N 427.552 0.795 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1507869132 RYXQBFXUFOTLMV-ZDUSSCGKSA-N 442.933 0.284 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1517348509 ZFVYCGRLACYRAR-UHFFFAOYSA-N 425.536 0.732 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1671495270 PEHVXXLBXQGNRW-LSDHHAIUSA-N 444.558 0.315 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1750203638 NYNYKDVVBNZYGE-SFHVURJKSA-N 430.534 0.772 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1768327224 BFJHRRKQQXVDLF-HBIPHATFSA-N 444.583 0.120 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934347 PUZGEVHCPNGQJP-QHCPKHFHSA-N 437.500 0.871 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175511 NXTPTBXCBFDLGO-NYHFZMIOSA-N 426.473 0.701 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(C#N)c1 1781173234 ALMDDMQHQFJMLS-JOCHJYFZSA-N 439.472 0.873 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1782058271 BARHRERMAKUENN-HSZRJFAPSA-N 448.483 0.564 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782961730 WUMFFZGSFAGVIS-GHTZIAJQSA-N 447.513 0.588 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1784018570 UERFAXQJARZTTL-WZONZLPQSA-N 427.501 0.807 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sc4nccnc4c3N)C[C@@H]21 1784479450 BQZNFYGCLLBELY-QPSCCSFWSA-N 443.529 0.905 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nc1 1787758710 DASOIGHPQMAWEM-IEZWGBDMSA-N 429.521 0.965 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788472826 IFYNKMKORAJCTR-RYLXDESZSA-N 429.473 0.082 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1793086333 URCGSHDAQYFQRA-MHORFTMASA-N 437.537 0.818 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1793381602 ZXWKOSVZQXMXLL-PRFQISJJSA-N 428.580 0.333 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cn2cccnc2n1 1797389348 CJGXFALCVGBYKN-XEMDLRDOSA-N 437.500 0.631 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ccc(OC)nc12 1798483922 UPSAYJZMMORSQV-ZTENYAIWSA-N 426.473 0.813 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(CC)c1I)C2 1800451694 CFTVJJZMJWFKOF-WDAIWFPHSA-N 442.257 0.413 30 20 ICED C=CC[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 1800485554 LNOGVNKGTPVUOM-GLNRLIEQSA-N 443.544 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1ccnc1C 1801309922 XPHCELIGKFIRPC-MZNTUGIBSA-N 429.521 0.420 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1804093998 LVVMMTHKILCCJG-NQIIRXRSSA-N 446.467 0.825 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cncn1)C2 1804374260 SGVTUZQPRFQPRU-YYIAUSFCSA-N 430.509 0.833 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810283453 AMTWVPHROABDNN-VRADJDKOSA-N 426.521 0.838 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1812527992 AFAGMDMUIGKVJS-HNAYVOBHSA-N 441.451 0.919 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1814055359 QSGUVHLPFUUDQX-WBVHZDCISA-N 427.461 0.324 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824926491 VLKDVSJHTNPLPQ-XUJVJEKNSA-N 425.532 0.671 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670368 AQFIGTNSSODOCC-NWDGAFQWSA-N 441.469 0.357 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)cc1 1829900878 RTMGJLVUAXRJCA-HSZRJFAPSA-N 437.452 0.824 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829902678 YCBXUEFTLXYCMU-JOCHJYFZSA-N 431.489 0.220 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1829907819 RAQYAPYKNLFTBR-OAQYLSRUSA-N 447.513 0.375 30 20 ICED COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1830481172 JPGDKQIZMNENNV-HSZRJFAPSA-N 445.516 0.992 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655805 YOHUCLMBKWWJMQ-JPYJTQIMSA-N 440.500 0.372 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1831411576 YLOMQWZTSZBEBR-XMSQKQJNSA-N 447.536 0.716 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831483833 OZYVVTXQOPLRME-SJLPKXTDSA-N 434.580 0.303 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522148 SDQWGXMIBGFPGP-KOUBUWOHSA-N 447.532 0.954 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1833490243 IBXXOPOKVHEVFA-FQEVSTJZSA-N 426.627 0.845 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835400539 WQZHRCRZLLTMAV-FPOVZHCZSA-N 442.626 0.035 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781890 RZZRFENVRISJQJ-YQCVNYCESA-N 431.537 0.795 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1836667800 YGHAQICVNVEXFG-YCRPNKLZSA-N 435.546 0.962 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837170938 ZPWPNQCWNMMEMZ-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1837392831 HWJFMTDOTVQECV-JPYJTQIMSA-N 447.532 0.662 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817777 OJEHMMCVICYFOX-QHCPKHFHSA-N 443.500 0.556 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1Cl 1838595099 HVRNTDGQLUDYMP-MGPUTAFESA-N 448.863 0.390 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838739513 WECXQLDMMBTBOW-JOCHJYFZSA-N 449.471 0.242 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5nccn45)C3)C2)c1 1838740871 YPTBDDPWFREQDA-JOCHJYFZSA-N 434.456 0.918 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950360 KWYVSBQUGCCCSV-JOCHJYFZSA-N 437.456 0.741 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839227322 CLGAETXUHMVTFI-IIBYNOLFSA-N 449.508 0.537 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1840399260 YHIJCPGOTCOIDP-DUYDGHCJSA-N 449.577 0.922 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840492167 GLXVXVNGTHMTPE-CSQHKEGFSA-N 443.504 0.921 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814311 ASIBCDHSRMQBGN-HRAATJIYSA-N 428.493 0.427 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819956 QCKFJIOBQBSZFX-QFIPXVFZSA-N 439.472 0.739 30 20 ICED O=C(c1nn[nH]c1C(F)(F)F)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827347 YGMYGMYBMKORHN-UHFFFAOYSA-N 447.267 0.996 30 20 ICED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c1Cl 1842874462 CMCDXHJKVWDFMY-UHFFFAOYSA-N 426.797 0.753 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)c1ccc(O)cc1 1842875090 AEARUTNXZTVIMS-KRWDZBQOSA-N 449.444 0.817 30 20 ICED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845245938 OVZOEUBHJYZMAZ-UHFFFAOYSA-N 448.520 0.790 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846194729 KLAGNBPBBGWVBE-UHFFFAOYSA-N 435.477 0.040 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)c1ccc(O)cc1 1846416965 RODOAACGDIGYTJ-HXUWFJFHSA-N 443.544 0.379 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 409508979 UOIPUKVIUJRUSS-UHFFFAOYSA-N 430.552 0.872 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1 433657539 WJGBKSBOOFIJGJ-UHFFFAOYSA-N 441.469 0.110 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)ccc1OC 435069731 HLADSYTUSUHZRJ-CYBMUJFWSA-N 438.506 0.709 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 438735365 MYXWEIVVWDAVFM-MRXNPFEDSA-N 445.545 0.908 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)C1=O 440266840 KKWYMUQVQZYOLR-ROUUACIJSA-N 428.489 0.788 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCOC1 441939475 YBIZYMJHPPMQNF-MRXNPFEDSA-N 425.510 0.760 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443349128 TZMDZTINUYGAOG-CQSZACIVSA-N 430.383 0.547 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 443754617 JZBYFUIGQZIVDE-UHFFFAOYSA-N 430.486 0.936 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 446525843 BULGFFRYYNONBU-UHFFFAOYSA-N 427.505 0.936 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447466112 YSPQNHYUCJNJFP-CVEARBPZSA-N 445.451 0.694 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 464951289 LUIYBHLORYYGEQ-JXFKEZNVSA-N 431.566 0.776 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)c2n(C)c1=O 465130349 OZKLKESDEVCECZ-HNNXBMFYSA-N 438.463 0.835 30 20 ICED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Br)cc1 468610174 QWXUTEJGJGFYTK-CYBMUJFWSA-N 440.279 0.535 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)CC2)c1C#N 471690758 ZGQYKQSMHLGLNO-HUUCEWRRSA-N 441.536 0.996 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c2ccccc21 471993911 WLMKDQXAHYSMOA-UHFFFAOYSA-N 449.536 0.976 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 474573707 GCJYTGIFNYQSCS-HOTGVXAUSA-N 432.525 0.224 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)O)cc1 499782597 WBWQRAGKOKBIGO-UZLBHIALSA-N 443.529 0.638 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 506303956 GJCLECZBCGQDQF-UHFFFAOYSA-N 430.486 0.296 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 512750686 SXYDRYDFHBTSDK-FXAWDEMLSA-N 447.605 0.694 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)COc2ccc(C#N)cc2OC)c1 517078443 BCPSOIDDCUHLJX-UHFFFAOYSA-N 432.458 0.609 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCO[C@H](C#N)C2)c(O)nc1=O 520685403 XTJBBLKADMQPFL-OAHLLOKOSA-N 448.524 0.851 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n(C)c1=O 542968604 RIRRBPXLHCUBDG-UHFFFAOYSA-N 438.835 0.783 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccc(S(N)(=O)=O)s3)n2)c(F)c1 543942827 GCBAVMIDWGITDT-UHFFFAOYSA-N 448.461 0.847 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550817051 HQLHACUBKKYSLP-VHSXEESVSA-N 439.266 0.832 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 559792247 HIBIUIIGMMJZBD-UHFFFAOYSA-N 436.896 0.174 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 564373204 UEBLLUSMMGVFBE-CQSZACIVSA-N 435.558 0.257 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)nc1 586844581 RBGYEWWZDUGNRJ-HXUWFJFHSA-N 446.511 0.956 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@H]1CCS(=O)(=O)C1 604458090 HFNABGUHXLZGEO-ZDUSSCGKSA-N 433.577 0.568 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 609086795 BZTSDBHLNYGLDD-UHFFFAOYSA-N 445.382 0.630 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cscc2Cl)c1=O 610928818 JPVJARMRMFQJQJ-UHFFFAOYSA-N 436.946 0.495 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1=O 613979314 BIPWFVXXIULAHW-KRWDZBQOSA-N 430.436 0.283 30 20 ICED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 726755548 QHDNBYPGXRETHL-UHFFFAOYSA-N 431.456 0.959 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 728536311 UHZQLBKEDSBBKR-UHFFFAOYSA-N 446.573 0.127 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)CCCC)CC2)CC1 729256715 FGWLUZDYVONHHB-UHFFFAOYSA-N 426.583 0.112 30 20 ICED COCCNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 729286999 YEVRMWXGBNYXHP-DZGCQCFKSA-N 425.507 0.834 30 20 ICED COc1cccc(CC(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 746171375 ULIUHVRKNDJTBG-QURGRASLSA-N 426.473 0.825 30 20 ICED CN(C(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1(C#N)CCCCC1 753663880 XXZBCZSQSFBHRP-AWEZNQCLSA-N 438.506 0.380 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 757156628 SANFNWLMLPYPMV-UGSOOPFHSA-N 436.451 0.645 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758039343 CCCSSMSAROBRFY-OAHLLOKOSA-N 428.539 0.879 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 761022734 CYPXKBLCTTYVBN-JKSUJKDBSA-N 438.550 0.355 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(F)cc3s2)c1=O 763006544 HRZTYZLVBFLVLI-UHFFFAOYSA-N 434.499 0.730 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3F)c2=O)c1 763437508 XIHLTXBRPMYKKL-UHFFFAOYSA-N 438.484 0.738 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c1 764029933 MCRCHXOWMHKIGE-UHFFFAOYSA-N 426.495 0.781 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)OC)CC1 770249696 ASDZRNXDEYWKQO-HNNXBMFYSA-N 437.518 0.810 30 20 ICED COC(=O)c1cc(C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)on1 781452204 JVMOEZREDSEBCH-UHFFFAOYSA-N 440.368 0.998 30 20 ICED CC(C)N1CCN(c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)CC1 781454998 SCAWHFOHNUMXII-LJQANCHMSA-N 432.546 0.796 30 20 ICED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785206652 RLRUOLSBBAVMNU-OYQZECFLSA-N 442.563 0.663 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)c1 791010134 DGNXVOFEFZNZNA-LTGZKZEYSA-N 433.490 0.229 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275260 IFASTBXPXMNCIV-SJKOYZFVSA-N 426.451 0.859 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806863779 RHFFFDOIUTVMJK-IAGOWNOFSA-N 448.483 0.517 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)n1 808033074 GJPJWCZYTALRMZ-IAGOWNOFSA-N 433.509 0.474 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(Cl)cc1 810471796 ZEFZLHJPXSOMAF-QGZVFWFLSA-N 430.896 0.644 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O 812255792 UPJBJXKULSWWDN-FQEVSTJZSA-N 432.481 0.964 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2CCOC)CC1 916199889 LWFVPIWQDCPMKA-UHFFFAOYSA-N 430.530 0.125 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2O)CC1 917115103 WMLIGAIGWQBZHT-UHFFFAOYSA-N 428.470 0.415 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CCOC 917355664 LEEWJGQSNJSDGR-UHFFFAOYSA-N 444.557 0.426 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919319234 YABQZQVXSLAPSB-CQSZACIVSA-N 436.486 0.816 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1 1297787863 RGNBOCGXOZBBCN-QGZVFWFLSA-N 434.522 0.893 30 20 ICED C=C(Cn1c(COCC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1301011592 YDNSCJUGSIWOHH-UHFFFAOYSA-N 437.508 0.863 30 20 ICED CN(C)c1c(COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(=O)n(C)c(=O)n1C 1343370830 GYZNZAUZJDTEJN-AWEZNQCLSA-N 425.445 0.118 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(=O)n1C1CC1 1473073174 OZLHEBPWTDESHT-UHFFFAOYSA-N 429.521 0.926 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502718940 UTZHZZFYEJKKJQ-UWJYYQICSA-N 431.541 0.585 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 1627412753 RWLSMJKKURTLGF-UHFFFAOYSA-N 426.520 0.671 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 1662427752 ZTCRLCWPWOGEEG-KBPBESRZSA-N 435.321 0.897 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NC(C)C)n1 1726126167 SWRFKOBBRXFVCB-GOSISDBHSA-N 425.541 0.841 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1726449111 NJWQGULHUGBQCG-KSFYIVLOSA-N 439.520 0.462 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1741946258 ZGDAMGHAWMSOIF-HUUCEWRRSA-N 439.542 0.020 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1778821047 NSQINPSHZQLLNX-VCZBVJKFSA-N 429.539 0.504 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100168 TXTSLRWSXDXZAQ-JYTGYTCASA-N 433.509 0.878 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1779123531 PTPKDMJUQFSLSO-ZJHLSYPMSA-N 443.460 0.255 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395475 ZDULSLUZUKMDQF-XMSQKQJNSA-N 445.564 0.039 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1)C(F)(F)F 1779559282 CTKAXEGPZDZQOG-HDMKZQKVSA-N 435.443 0.770 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C3)c1 1780091319 BWPGHRYKFHCEAO-YIFZBPKDSA-N 428.489 0.829 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3noc(-c4ccccc4)n3)C2)C1 1780892185 CSOCGRKALGRKMN-QFIPXVFZSA-N 438.440 0.587 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781108461 FSHZHMYGKXMIGQ-PGRDOPGGSA-N 434.581 0.169 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782676710 MZUBWYZTJREFCF-JOCHJYFZSA-N 437.456 0.771 30 20 ICED CN(CC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)C(=O)O 1782744376 BLFIAWYPQYFJLN-OAQYLSRUSA-N 447.875 0.064 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782959928 BKMSMKJAECDUHN-NQIIRXRSSA-N 447.513 0.344 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1783112363 GYEJTLTYZFFMLZ-VGOFRKELSA-N 430.505 0.737 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783344880 XQEQADFESPPCNE-VRZFSWRYSA-N 428.533 0.892 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2 1784200758 KJUNAASQWXTDKX-OAQYLSRUSA-N 439.578 0.682 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1784590021 XRWMRPJMQZBURP-FOIQADDNSA-N 428.880 0.769 30 20 ICED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)c1=O 1788630186 QFDIXWTWRJFUBN-IHPCNDPISA-N 441.528 0.677 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1788638075 QCMCYQGVRGTONS-NNPSNHGLSA-N 444.550 0.415 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1CCN(C)CC1 1789800357 XLZLAUTYAKUZNE-ZLRHPZECSA-N 448.612 0.074 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn(C)n4)C[C@@H]32)c(C#N)c1 1789840146 NXXDTHXIUUUSHJ-SNRMKQJTSA-N 438.488 0.531 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)cc1O)C2 1792489818 WDWZHKUBHMHIII-KULPGCBOSA-N 429.473 0.462 30 20 ICED C#CCO[C@@H](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 1793349925 RQRRNTAPTYWZPP-JCECYMMASA-N 437.537 0.918 30 20 ICED COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794372766 RLBGYHOVVCSPHV-ALXJQNPVSA-N 428.489 0.387 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1796044629 NZVWHUGTBJKXPK-BJWYYQGGSA-N 439.582 0.332 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c1 1796572246 DECBBOJBZVQXGX-QDMKHBRRSA-N 448.443 0.258 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1799303794 ZMGDDVOPZWHBPX-JLVBRIDZSA-N 427.461 0.442 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc[n+]([O-])cc3)C4)c2c1 1799883933 FPNMJBOLJMFFCB-HGKCTWBKSA-N 432.440 0.585 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800245079 LEOBXOWDYTYVTK-RMYQPGKMSA-N 443.548 0.774 30 20 ICED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1800684777 PNUBZZNLNLGGHS-CLLJXQQHSA-N 436.407 0.389 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1800982708 QHPNWBOJBDYWCI-NFFDBFGFSA-N 427.548 0.148 30 20 ICED 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 1800988878 YCGXMMXHLQKTKU-JAAXMTQOSA-N 431.555 0.170 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1800993466 GMNQPWLUQVJVMW-HGKCTWBKSA-N 439.472 0.685 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1802124770 HINNKKLXJPONAU-KYHPRHEASA-N 443.504 0.596 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCNC(C)=O)[C@@H]1c1cccnc1 1802489765 LZHMAJBZNMWBJZ-NOABYQSRSA-N 427.505 0.472 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808410697 WGKYZPSRDIJQPC-WIYYLYMNSA-N 432.546 0.926 30 20 ICED NC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810339878 WSYFDFKVKGOYEB-PXNSSMCTSA-N 427.505 0.454 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810356284 ISRIUYDWOVPMLZ-OGMSQXQRSA-N 431.493 0.705 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811181952 ISZYFCZVOSBNHH-IDHHARJASA-N 438.488 0.881 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1812526023 OUGOXRJDCAUELH-WZONZLPQSA-N 446.511 0.756 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812526560 HGMNHJVWTYZIJF-LMMKCTJWSA-N 429.521 0.963 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)cc1 1815063360 CZDRAINYNSZMCW-ZIAGYGMSSA-N 426.502 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC)NC(N)=O)n[nH]1 1817988894 YYVOTGDNMDNEHE-KJOMZIQVSA-N 431.497 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1823742867 NUISEURUPQVQBZ-ZPUOCTKUSA-N 425.551 0.509 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)CC1 1823835667 XZJQVTFLMBIWEF-IDPBEMBBSA-N 430.549 0.991 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824511578 LFUBZFXQUUSMOI-AZUAARDMSA-N 425.570 0.484 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827204782 YHKWTTMEHKLJKI-LBPRGKRZSA-N 441.579 0.772 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1829884571 TXSDWFKEDKVGQT-XMMPIXPASA-N 440.544 0.899 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1829902384 PBUXHDJQSRBGCI-HXUWFJFHSA-N 431.518 0.184 30 20 ICED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1)C(=O)C(=O)O 1831163937 ZEVKQGZMCYURPO-KRWDZBQOSA-N 449.552 0.431 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1831418420 BYXFSWVKJWMKOP-HCLVMJGWSA-N 446.500 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831483838 PBUKLULGWYACLW-YZKSSJSGSA-N 425.551 0.256 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCc3ccncc3)CCO2)C1 1833054547 XOAHAAFSOJXQPO-AUSIDOKSSA-N 429.517 0.899 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3OC)CC2)CC1 1834080967 UTKGCDBEFCEJAO-INIZCTEOSA-N 431.537 0.652 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)CC1 1834818303 OABHOKKROVDXRO-SFHVURJKSA-N 429.565 0.963 30 20 ICED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913532 WWEXPBMEIPNZKM-UHFFFAOYSA-N 435.550 0.599 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835076517 OJQVWIRBTNFPPM-AWEZNQCLSA-N 448.524 0.874 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1835100438 SIDHEGZPXITXGJ-XMMPIXPASA-N 449.463 0.932 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1 1835102348 RCASDSOMMVVWEG-XUZZJYLKSA-N 425.529 0.836 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1835674660 CIDDLUGAQSIHEZ-OAQYLSRUSA-N 432.525 0.081 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837308949 FFQTXGNCJPBHNC-NZQKXSOJSA-N 434.581 0.459 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837525389 VMLWVRNUXYTQSM-QNZROTIXSA-N 432.477 0.681 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530435 MRYJEEVOOXUHOK-CPXNXAAISA-N 440.541 0.312 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837694807 PEJSFEFBBTYNJU-MBSDFSHPSA-N 425.485 0.185 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)c1 1838827121 RSNOVOCFGUUNNU-IBGZPJMESA-N 428.405 0.506 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839224964 ULJSQGPGZICKMB-JLMWRMLUSA-N 447.536 0.209 30 20 ICED CC(C)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044602 NSHJUZWVDRGSQE-HSZRJFAPSA-N 428.485 0.897 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840161585 UQEKTSCDJVJLJL-XIKOKIGWSA-N 431.461 0.632 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840176350 CDXQCHGOLWBUCG-SFTDATJTSA-N 442.509 0.041 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1Cl 1840732551 HZCROJRBRMWLBA-FQEVSTJZSA-N 436.848 0.507 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)CCC1 1840812582 YQZMYFUFBWRXEZ-QFIPXVFZSA-N 438.488 0.582 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818377 YSUPMOZBFJMFPC-JOCHJYFZSA-N 431.489 0.818 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841607625 ZSLMGFLIXMFLPH-QGZVFWFLSA-N 441.532 0.816 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873002 BGAMHTSMHFUYNC-UHFFFAOYSA-N 425.809 0.620 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)CO2)C1 1846196908 BSABRSWENHEKHZ-OAHLLOKOSA-N 447.488 0.304 30 20 ICED N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 111228662 XFBLNVKAHLZGQZ-UHFFFAOYSA-N 429.520 0.788 30 20 ICED CCc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 410146958 FPUNANFEYCFARX-APWZRJJASA-N 436.534 0.630 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 433495185 CPNXQQHLFJVDTL-HNNXBMFYSA-N 441.517 0.940 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCOC1 441956642 JZJBEWZARMRYMO-INIZCTEOSA-N 427.526 0.984 30 20 ICED COc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1S(=O)(=O)N[C@@H]1CCOC1 447612024 OMMFBCMQPQDGTP-OAHLLOKOSA-N 431.474 1.080 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(F)c1 465415907 JPHVXLUCJHTODU-GFCCVEGCSA-N 426.408 0.950 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 477095944 ZRDKFTMNOIDYSQ-UHFFFAOYSA-N 425.474 0.347 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1 487238796 CNOADZCYMVMFTA-INIZCTEOSA-N 428.474 0.784 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 489096867 DDVCWWNFKLOSFQ-UHFFFAOYSA-N 428.423 0.862 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 493927699 NNSOPCTXDDJSSY-MRXNPFEDSA-N 428.518 0.981 30 20 ICED Cc1cccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1C#N 503229797 CRHHMTZTHNPIRI-UHFFFAOYSA-N 449.510 0.989 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 506213238 BCYFQKRPZFKXPZ-FQEVSTJZSA-N 437.518 0.840 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CCO)CC3)nnc12 514353340 FUCSJNCQCOTTLF-UHFFFAOYSA-N 428.518 0.459 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 515718991 UXWAAGNQOMFVMG-UHFFFAOYSA-N 446.489 0.633 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 516516716 CEXLFVIFZMKELY-UHFFFAOYSA-N 427.428 0.693 30 20 ICED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 520313673 IBQIJOSGVYLCQR-UHFFFAOYSA-N 428.449 0.487 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 521176669 CPBSGXFLZALHFD-UHFFFAOYSA-N 444.473 0.879 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)C1=O 522259017 WOWFYPQQSSXIKH-UHFFFAOYSA-N 426.473 0.657 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 537740949 VGUVASKHVOJULY-UHFFFAOYSA-N 446.485 0.502 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)ccc1[N+](=O)[O-] 537741247 MQXSETTXQQVTKR-UHFFFAOYSA-N 446.510 0.442 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 539347889 HDEFJTLIKLVZPN-UHFFFAOYSA-N 427.465 0.792 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)nc1 550309343 GBJBZTDITIKTJB-UHFFFAOYSA-N 436.472 0.616 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 553672051 IHQOKNQCHKNMAO-UHFFFAOYSA-N 433.597 0.736 30 20 ICED CN(CCn1cc(Br)cn1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 555115810 UXQTXEXZIOAOBI-UHFFFAOYSA-N 426.296 0.954 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CCN1Cc1ccccc1 566933141 YICZBDMERUNFBU-FSSWDIPSSA-N 439.560 0.983 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 568546230 JDLHBZRPJIDKCF-ZIAGYGMSSA-N 428.536 0.107 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC2)nc1 587665276 MSCCHNYFIRQVHO-UHFFFAOYSA-N 426.521 0.361 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157301 VJDDQLQMYQFGGX-UHFFFAOYSA-N 425.510 0.838 30 20 ICED CCN(C(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 610662304 GWLMOJNMESIRSX-HOCLYGCPSA-N 435.550 0.970 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 728572589 KVELLDSMMGMCAT-GOSISDBHSA-N 438.532 0.178 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC(F)F)c2)c1=O 729671939 XUYUKZMPEJBJIK-UHFFFAOYSA-N 425.438 0.582 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 729888938 KPKNVNCWZRIJFI-CYBMUJFWSA-N 428.898 0.607 30 20 ICED CC[C@H](C#N)Oc1cc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC 733227662 CIHKKQDXYMCFOM-CQSZACIVSA-N 440.460 0.440 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(Cl)cc1 743725065 BRDDOJAJTCHPOP-UHFFFAOYSA-N 443.916 0.644 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 749689648 HKTGSGTUCCRMEX-KDCJFMNISA-N 435.550 0.991 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC)s2)c1=O 752190114 HKFKNCDFNRRPLA-UHFFFAOYSA-N 448.570 0.327 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 753988815 MBLUVERCUHANLV-KRWDZBQOSA-N 438.506 0.426 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755547699 AYMMVVPVTVPYPU-YPMHNXCESA-N 434.453 0.411 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 758078919 SQFGLLZNDPEMCJ-UHFFFAOYSA-N 437.521 0.522 30 20 ICED O=C(NCC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)c1ccccn1 771815078 GYLBLWGIHKNQBH-UHFFFAOYSA-N 441.513 0.789 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(C(F)(F)F)c2)c(=O)n1CCOC 772902335 WEQJPIUKKBLRSP-UHFFFAOYSA-N 429.395 0.963 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 773487676 IMJIQHRFWAQJEH-KBPBESRZSA-N 440.464 0.785 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc1 774852972 GEZTZRPALSQLCS-LJQANCHMSA-N 440.479 0.810 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 777919164 GQEHHJYJSQRYFE-UHFFFAOYSA-N 446.460 0.975 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)c1 785049211 SYQRHBWWYRTIED-JNCAFBRLSA-N 437.522 0.454 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cccc(OC)n2)c1=O 790422280 RLOSUCFWRZYFAW-UHFFFAOYSA-N 437.481 0.497 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3cnn(C)c3)c2=O)cn1 794613903 PCEONQBIMSIZAY-HNNXBMFYSA-N 438.513 0.348 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1C 800723942 GKCYZRHVPNDAOW-UHFFFAOYSA-N 441.532 0.553 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 802432381 CCYKCIOCLSAOKJ-UHFFFAOYSA-N 444.916 0.928 30 20 ICED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1NCCOC 810783367 MHZHDWTUJPFTQS-UHFFFAOYSA-N 445.563 0.858 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3cccc(F)c3)CC2)o1 914683453 FBMCFWLMQRNPSW-UHFFFAOYSA-N 429.408 0.616 30 20 ICED CC(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279477 VFIUHQSPWLJOCA-QJOMJCCJSA-N 437.522 0.470 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 918729719 HPZZTRPJERHDAV-UHFFFAOYSA-N 430.873 0.449 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1298097007 KDXZBEAPKREZEC-IBGZPJMESA-N 446.537 0.947 30 20 ICED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1302468430 CQFQYCPFZRPSHK-QGZVFWFLSA-N 446.533 0.294 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@H](C)C1 1508238453 YCPZYPMJHJHIFH-MRXNPFEDSA-N 437.504 0.733 30 20 ICED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1512546323 OBYBOSLVQNHVPD-QRWLVFNGSA-N 447.517 0.503 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1539574506 LXDBHKJMBNKXGC-MNOVXSKESA-N 435.348 0.464 30 20 ICED N#Cc1cn(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(=O)nc1O 1557600276 JFACCWJDHRAVTG-IBGZPJMESA-N 431.452 0.978 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 1561531781 QYJLZDVSNLKTBO-IAGOWNOFSA-N 425.532 0.403 30 20 ICED COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1619471666 KBSFVEDLVWJAIG-RHSMWYFYSA-N 449.537 0.801 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1743254911 PBMQGGRTPFBLCL-OAHLLOKOSA-N 443.533 0.519 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1779076548 NWYTWFJXZXFJOR-WMLDXEAASA-N 436.383 0.430 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ncn1 1779100306 AUWHJIXUVTUXMF-RZBALULQSA-N 447.448 0.147 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105418 KCAVHMMATZGQFV-ZGYKXIANSA-N 432.477 0.567 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181260 ZIWNOQGSPREFCW-CKJXQJPGSA-N 446.508 0.226 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780586981 CJGHOFSZQJTCAL-QVKFZJNVSA-N 437.493 0.502 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1noc(C)n1)C2 1780735362 SQLYQJSVQLTKCF-IIBYNOLFSA-N 434.493 0.944 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1781300504 XFTRNDRBQZHDKU-QVKFZJNVSA-N 426.452 0.922 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785223805 TZWLGUPLINPXGL-DEOSSOPVSA-N 433.464 0.973 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785378830 SHNRNKFXTWGCIM-NRFANRHFSA-N 425.445 0.701 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cnn1C 1786185220 XOWQPFAXJDTEAW-FQMKSTKOSA-N 433.509 0.851 30 20 ICED Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn1 1787012971 ZDFGOIUFISFDMY-UFHGKRAESA-N 430.553 0.804 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)CCC1 1788258592 OKRKONGCIVDQKH-MPGHIAIKSA-N 440.504 0.304 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788678432 AOFFXNQEKPPZPE-YKACFKABSA-N 441.444 0.480 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790747853 NLFJTEDCVKINKK-LWYYNNOASA-N 430.526 0.595 30 20 ICED C#CCCC(=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 1792450816 AYQOPLYLRVZAAP-STEXWYFWSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1792484569 PDXDLLYNTCWZNY-BLDWDKNFSA-N 441.484 0.274 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1 1792829957 XWGINSOFDWHVAE-RMFSNUHRSA-N 426.473 0.533 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793249186 XWIPGBKUVWILBU-JCECYMMASA-N 437.537 0.939 30 20 ICED C#CCO[C@@H](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 1793349977 URMDGWPPRNYCBR-KZYORJDKSA-N 449.548 0.918 30 20 ICED 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[nH]1)C2 1793595995 WLNRJOSLUUMFFY-UMPJEAMMSA-N 449.508 0.788 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)c1ccccc1 1795642525 YVSBQYVTRJFYJY-BFUACXKISA-N 441.528 0.836 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccn(C)n2)c(C#N)c1 1795812087 QVXNJOHFPHTBSV-FEJSZKPUSA-N 437.500 0.675 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CNc2ccccc2O1 1797674958 IJTOAWZIRYXQNM-YCGPWUDHSA-N 427.501 0.878 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829448 QFKDURGGHVWNOA-AFIMGQEJSA-N 435.481 0.103 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2n1CCN(C(=O)OC(C)(C)C)C2 1798411381 PZFFNRZGVLDEGM-CCWDJLKJSA-N 443.504 0.470 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1cc2n(n1)CCNC2=O 1798494722 KBJGTNNQRJFVRS-XEWGZNJASA-N 444.492 0.407 30 20 ICED CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1802172982 YJRQEEVLGBBZRZ-FWGWEOLLSA-N 436.553 0.837 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nn[nH]c2C(F)(F)F)[C@@H]1c1cccnc1 1812878505 WZYITUIZVANGNS-XHDPSFHLSA-N 436.350 0.626 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668631 NBTSIGKTRZFFOH-AMIZOPFISA-N 448.534 0.449 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)[C@H](O)N1CCOCC1 1819446482 RAUCHUVZEHTSOL-NPJIFZGSSA-N 444.492 0.765 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821468636 FAPRZZCOQQRXQL-QVEVIOGKSA-N 446.489 0.981 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc(C)c(O)nc2=O)n[nH]1 1823365891 XDMWFNWBJCPAOY-HOCLYGCPSA-N 442.476 0.711 30 20 ICED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1824973993 AVVSMGANTYSIBP-SFHVURJKSA-N 436.578 0.640 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829856754 USHPECWGKIRUJU-MYRHLRDYSA-N 434.493 0.070 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1829895571 ACHFPSZBBIWOSN-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831425817 DZIDLRBRMCUGFE-CVDCTZTESA-N 434.533 0.733 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833098883 BBSXJZKFHAAKQM-YQTDCCHMSA-N 441.532 0.833 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2)C(F)(F)F 1833446780 OVTRPIKCLPJCNZ-KRWDZBQOSA-N 432.399 0.617 30 20 ICED CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833514669 RXQPMYCOFZDTMZ-HSZRJFAPSA-N 443.548 0.996 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833897768 CGPDSXIWIOTXMY-XQNSMLJCSA-N 430.557 0.472 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835056125 XTMZFVHIZUDZJT-GOSISDBHSA-N 449.600 0.287 30 20 ICED Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675259 KZXLPPUCWRDFMM-HSZRJFAPSA-N 443.548 0.671 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835779201 XQGOBKPPGSHRON-ANRKENSESA-N 446.552 0.717 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837095729 SPANECLGVIITEK-KKSFZXQISA-N 433.509 0.700 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837174774 FYSUQUKYDNFAQK-AWEZNQCLSA-N 428.489 0.625 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc(O)n5c4CCCC5)CCO3)C2)CC1 1837758478 SSTGKEAWQJJGLV-OAQYLSRUSA-N 429.477 0.299 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)C1 1837987509 ZTAAMBIJBPELKV-KSFYIVLOSA-N 432.521 0.816 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1838077596 GIJMPMFTKZLLLU-QGZVFWFLSA-N 429.399 0.813 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838080681 HLSMXGULBVLNCP-BDJLRTHQSA-N 436.456 0.827 30 20 ICED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392271 RQRHKFBGJCMQEN-XQNSMLJCSA-N 437.541 0.813 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c1 1838583489 FRKRHNUWFJNGHG-FNYDLVFWSA-N 443.456 0.668 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742107 RIFNQSQLUOTLHA-OPAMFIHVSA-N 439.472 0.819 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)c1 1838906187 WOKWEDKLNNJDJD-QHCPKHFHSA-N 442.516 0.351 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839223036 JPBRUSVQRZUECS-IIBYNOLFSA-N 449.508 0.258 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839225507 LEGMROXRYVFIGN-KKSFZXQISA-N 444.492 0.600 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1839478908 YLOKHFZSIZQXLT-QFIPXVFZSA-N 438.488 0.950 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839697293 ORNMKQSQFXZWGO-SLSZVJGPSA-N 434.562 0.790 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1)c1ccc(O)cc1 1840219935 OHWOQXXHAZCZCU-CVDCTZTESA-N 428.485 0.935 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840428522 NQYHBGNPCMQZNK-VGSWGCGISA-N 428.489 0.999 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716022 RBUXGFIGVDWJRA-JLHGSKIFSA-N 428.489 0.518 30 20 ICED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)COC1 1840818281 UQMOBUCMIJXWHI-JOCHJYFZSA-N 429.473 0.430 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840842809 BYCRAITYUQWEPD-JOCHJYFZSA-N 426.473 0.762 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840900811 TZLQQMYQYRILKE-HOYKHHGWSA-N 439.512 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842241186 UCWYIIPSZMHYHD-UHFFFAOYSA-N 449.529 0.953 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213266 DJTDLUMZCZHSMB-ZCPGHIKRSA-N 430.505 0.768 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(C#N)c2)CC1 14705866 UOXRPVHCSPQOID-UHFFFAOYSA-N 432.458 0.853 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 26193600 XOTPQOQCQIESLA-CALCHBBNSA-N 435.550 0.858 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)C1=O 440286231 WMWKFQFVASABKT-KRWDZBQOSA-N 434.518 0.653 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cc1 441953972 ONFMEUAMOIXRBD-HNNXBMFYSA-N 425.510 0.737 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 444567804 HPKOYIPTFGMZQD-OAHLLOKOSA-N 448.480 0.844 30 20 ICED Cc1nc(C(=O)N2CCN(C(=O)c3ccc(C#N)c(C)n3)[C@@H](C(=O)N(C)C)C2)ccc1C#N 469060363 QRRQSWXPFZMZBS-HXUWFJFHSA-N 445.483 0.892 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 472857507 JGKPOTVOCXIQEU-UHFFFAOYSA-N 428.424 0.813 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)n2)c1=O 479384921 XKKSIQHFZWOGQM-UHFFFAOYSA-N 430.555 0.802 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 503302723 BXCYWQVDLYHFIC-HXUWFJFHSA-N 449.511 0.912 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2c(C)cnn2C)c1=O 505690153 NDCCADLWFRNYQH-OAHLLOKOSA-N 429.546 0.550 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508121589 SVKSJAISMNQATG-CXAGYDPISA-N 430.490 0.270 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 516699485 XBDWGIAZOWTHKI-SJORKVTESA-N 442.559 0.959 30 20 ICED CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N(CC)CC 521589560 DNYGZAQQZHXRMT-OAHLLOKOSA-N 438.506 0.805 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 525567076 VBEQCMMNBDLNHC-QGZVFWFLSA-N 430.490 0.224 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 539688736 FNVFBMOWTSMTTO-UHFFFAOYSA-N 444.513 0.864 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CCN1Cc1ccccc1 550203638 SVGXPXYQHBBJKR-LJQANCHMSA-N 435.532 0.900 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccccn4)CC3)CC2)c1 550550811 LAAGPWFDTPBEGU-UHFFFAOYSA-N 433.516 0.778 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cn1C 555772143 HLNPHECBNAQYLR-UHFFFAOYSA-N 442.501 0.022 30 20 ICED CN(C)C(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 559563539 MMJNUELBHKNHPG-FQEVSTJZSA-N 447.495 0.794 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCOCC2)cc1 579154684 LFBBWSGWVILKHL-KRWDZBQOSA-N 425.507 0.335 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCOCC1 585701099 CROHDEJHWHRNQG-SFHVURJKSA-N 444.536 0.545 30 20 ICED Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1C 588122763 ACPBULKYVDIBLL-UHFFFAOYSA-N 440.548 0.490 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 588775429 HMXFJTGBRBZMGE-PMACEKPBSA-N 430.505 0.139 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 603661010 MXHSQFKQXLOMQS-UHFFFAOYSA-N 447.970 0.010 30 20 ICED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC(N)=O)c1 608474741 SCYCGRQEJBLPAZ-UHFFFAOYSA-N 432.461 0.863 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 610084098 JBQUQYZQOZDLBV-UHFFFAOYSA-N 428.423 0.862 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc4cnccc4c3)c2=O)cn1 618639338 QZPILPXDYPCFHA-UHFFFAOYSA-N 430.493 0.913 30 20 ICED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 669807562 QSCVIZGNTGPWEQ-UHFFFAOYSA-N 432.550 0.745 30 20 ICED C=CCC[C@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 673270059 WWLCNSPRQRIPAZ-KRWDZBQOSA-N 440.504 0.299 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1COCCN1C1CCCC1)[C@H]1COCCN1C1CCCC1 684475056 QLJAVEYDUQXFDU-FGZHOGPDSA-N 446.592 0.509 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c1 728535580 LRUPRBRBIHIQIM-UHFFFAOYSA-N 446.573 0.805 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)CS(C)(=O)=O)cn1 733200595 GMMMHQNGZJHSJS-RISCZKNCSA-N 427.552 0.936 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C(=O)C1 741435908 KVEJZGACXUIOMW-UHFFFAOYSA-N 436.490 0.584 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CC(F)(F)F)CC2)cc1 744263103 DRQZKYCSVPAERH-UHFFFAOYSA-N 439.437 0.967 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(COc3ccccc3OCC)n2N)CC1 750003147 WIMROEZPGNTQMY-UHFFFAOYSA-N 430.534 0.839 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 751066398 QPAJJXPBZADYFL-UHFFFAOYSA-N 427.426 0.517 30 20 ICED Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 753849588 NBNNJBXPCZCYCU-UHFFFAOYSA-N 430.486 0.895 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754606975 LYOJBXSYXLXWHP-XJKSGUPXSA-N 443.460 0.480 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 758066674 AZMRKSLKPVDJFR-UHFFFAOYSA-N 429.448 0.992 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758450634 WCZWQMIJHSHSPJ-BBWFWOEESA-N 436.557 0.987 30 20 ICED C=CCn1c(-c2cnccn2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765051650 DGUATJKUUVXWRS-UHFFFAOYSA-N 425.522 0.930 30 20 ICED C#CCN(CC#CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765665771 FVIGWYQLALMMME-UHFFFAOYSA-N 433.505 0.924 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 766364579 MURCYVVIAZDVEX-HGNXGAGXSA-N 437.522 0.556 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@H]3CCOc4ccccc43)c2=O)cn1 772312829 XZJJAKADPCGRFT-KRWDZBQOSA-N 433.493 0.828 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCO1 773798271 PEIINQVIAAVLTK-STEAMIEHSA-N 449.529 0.720 30 20 ICED C=CCOc1cccnc1C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 775113846 SHUJDHTZOUQLEQ-UHFFFAOYSA-N 437.460 0.829 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 781661828 LZZKSVYAEATVMJ-UHFFFAOYSA-N 447.520 0.994 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 783857262 YGBHUZRKQVCAJR-GFCCVEGCSA-N 443.526 0.576 30 20 ICED Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 787081957 XUCMMKQZBDIMST-QGZVFWFLSA-N 439.398 0.171 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 787243151 MPILJEMZUIYUKQ-UHFFFAOYSA-N 447.459 0.364 30 20 ICED CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)CC(C)C 789944543 WFNLVMLSZOOIBH-KRWDZBQOSA-N 430.509 0.879 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793829477 WJEXCJXGSSAAON-WBVHZDCISA-N 438.525 0.279 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 794540832 LDUWSYGXFNENII-NVXWUHKLSA-N 435.502 0.200 30 20 ICED C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327941 MXTRBFKOLAUKKI-ZDUSSCGKSA-N 431.474 0.608 30 20 ICED CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(S(N)(=O)=O)c1 804332856 CQSFPBHRGDBDRT-UHFFFAOYSA-N 448.526 0.919 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807941180 MLHWJLFBMIHLOV-JSGCOSHPSA-N 440.547 0.983 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)[C@@H]1CCCO1 809307991 IMIVIYDSKRKMCY-ACRUOGEOSA-N 439.560 0.739 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)COc4ccccc43)CC2)o1 915376325 SMPDPQDXEUOMNU-UHFFFAOYSA-N 439.428 0.472 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOc2ccccc21 916608478 VQGJVSVMIMCWAS-OAHLLOKOSA-N 429.454 0.908 30 20 ICED CCS(=O)(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916711515 OPSAVQQGIXKWET-HKWRFOASSA-N 431.540 0.560 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917503856 KWVICFKZTCHSLU-INIZCTEOSA-N 449.577 0.564 30 20 ICED CC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918316968 ZSEAWLXRDBGODC-PYCFMQQDSA-N 449.533 0.519 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C(=O)NC)c2ccccc2)c1 919020989 RYMANVUSTFDGMU-LJQANCHMSA-N 443.481 0.358 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1297993078 MPHKSIWBDXDMDH-GOSISDBHSA-N 439.520 0.728 30 20 ICED CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1301677155 CJVIUDXIGZJBMM-HKUYNNGSSA-N 442.568 0.851 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CCO1 1316541295 VYRIXZFGFHCJQY-CQSZACIVSA-N 429.506 0.525 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1318587730 WODOWVIHXVFLSX-ZBFHGGJFSA-N 433.490 0.303 30 20 ICED CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497293049 JKTVOLHGCMRTBN-WBVHZDCISA-N 441.540 0.894 30 20 ICED CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)N(C)C 1516587768 PMHVEAILQOSKAV-UHFFFAOYSA-N 428.497 0.966 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCN1S(C)(=O)=O 1520765555 JHFQNIDSNHZTKL-MAUKXSAKSA-N 446.533 0.702 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2=O)cc1 1643548056 WEIJBVSMLQBYMI-WOJBJXKFSA-N 425.533 0.824 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1712711345 JWSZOKUKVDYBBA-IRXDYDNUSA-N 443.533 0.613 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1747421567 WXENQZFTSNBUHW-INIZCTEOSA-N 429.506 0.465 30 20 ICED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1=O 1765474571 SWVVMUNGBGQDJE-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1768526324 NESICGOGXOFFGE-UHFFFAOYSA-N 445.549 0.800 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778182051 HVSNQIFIRITDFT-FCHUYYIVSA-N 449.504 0.551 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1778978702 ITLCWZHGPONRPL-VGSWGCGISA-N 427.505 0.675 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779064319 FQCGLAHATPKQED-DEOSSOPVSA-N 446.592 0.152 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1779066102 BEACVYMVCSKEAL-QFIPXVFZSA-N 428.489 0.627 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066902 HYYCCHWXKRQBSW-XMMPIXPASA-N 439.512 0.928 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1780921286 IVHPTKKPPIIDEN-QFIPXVFZSA-N 440.456 0.440 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2ccncc2=O)CCO3)ccc1F 1781300001 LQKWYTCISSNTRA-JOCHJYFZSA-N 439.447 0.327 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782054646 FILIAPWEUPHBLK-KKSFZXQISA-N 448.545 0.638 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CSc3nc[nH]n3)C2)c1 1782481659 PHSWGSKMZRPDSN-DNVCBOLYSA-N 429.506 0.924 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1783454422 HGXVZENKOHAFIO-IERDGZPVSA-N 448.520 0.756 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)n1 1783682979 HVBPSKZDELFXPM-ULQDDVLXSA-N 429.521 0.816 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1)C(=O)O 1783912540 YSXYBMWKTIFDOO-HAGHYFMRSA-N 442.516 0.533 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1784008055 VMKZHEDWTKJZTL-GOTSBHOMSA-N 447.532 0.602 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784197296 FSVZMIKRJJUHMG-HJWJTTGWSA-N 434.493 0.458 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C[C@@H]21 1784483662 FJZXCFGWDMUECW-XSLAGTTESA-N 425.489 0.669 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)C(F)(F)F 1785353792 NEHRQORRJFGVQE-KRWDZBQOSA-N 430.383 0.206 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H]5CCC(=O)N5)C[C@@H]43)c2c1 1790327861 LDWNDBQJAXXBHP-PLYYQAHHSA-N 436.472 0.306 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145697 SFRURHGYSFQLQD-SAJDGTNDSA-N 425.485 0.955 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1792203451 JOMHGMOGBCHHJA-ULQDDVLXSA-N 449.504 0.311 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2 1792489137 JBVLCRCIEUUFOJ-GWUNTCDZSA-N 435.484 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2 1792490885 RUMIZGKCUNYTGN-NOOKGOPLSA-N 437.496 0.877 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@H](O)C1 1792519567 UQYNUQXQXZEQGF-BQJWPVKWSA-N 449.504 0.331 30 20 ICED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)nc2s1 1793662578 OWKUMAVHCYSPJS-ZSBFGKGUSA-N 439.501 0.745 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794439665 AGRZHZJKVTWONM-UGNRZPKXSA-N 442.516 0.160 30 20 ICED O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795795575 NUEOJIWAFSDENH-CCLIXHCOSA-N 434.468 0.882 30 20 ICED O=C(CNC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798499903 DSHMQNANGCEDAD-QYPCPPHASA-N 434.415 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799146322 FLTCLNGBZOKIHB-CZLFUSQZSA-N 433.549 0.550 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1799304901 HLWVSBKWUYTZKL-YVWYUNDQSA-N 448.476 0.411 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1800200167 BYMWXQQTIBIQSU-YPIYEQTHSA-N 446.507 0.841 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800515186 REVVDTIKNJYYCF-KRXQYRFLSA-N 438.525 0.311 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800775807 IAQNINVLXSQZEX-JUYAQVABSA-N 438.383 0.273 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1800981400 WXWIJYINQAYKSC-MPTYRVRUSA-N 445.582 0.826 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801160954 PJQYCGXAQQTNLC-RCJHGTSTSA-N 433.505 0.916 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(C)(=O)=O)C3)cc1C#N 1801847486 POAPPRJTWXRZLM-XEMDLRDOSA-N 449.529 0.593 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804183275 MKSKDOKXEYBEPF-SIXWZSSISA-N 429.477 0.230 30 20 ICED 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](CC)NC(N)=O)C2 1804372338 NEHAXYUXNRGJKF-BQJWPVKWSA-N 449.552 0.988 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807142784 GDSSYAQWNSLGCW-IEBWSBKVSA-N 443.552 0.640 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808816702 SIHUTTIZRREDBG-MRXNPFEDSA-N 427.505 0.510 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810332797 ZVKDDLAQVOSWHU-KNQAVFIVSA-N 426.517 0.922 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](C)S)[C@H]2c2cccnc2)c(=O)nc1O 1813043939 VELFEMSIBRZCOE-YSVLISHTSA-N 431.518 0.677 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)[nH]n1 1815195571 WMEQKUJTMQWLLL-FMKPAKJESA-N 439.538 0.768 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)CC1 1818963760 KGXTVTCIXPIOLC-LJQANCHMSA-N 426.521 0.979 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819475834 BGYRSGNBTKBNNM-CQWYDTSVSA-N 441.448 0.712 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)CC1 1826940524 VTFMDCZWDCCQFD-OPDSQHBBSA-N 434.537 0.527 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480581 SSXDGAZIWQOQSM-BBIZLLLXSA-N 448.432 0.116 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829753198 PVERCFUDVVIVFL-OAQYLSRUSA-N 441.513 0.702 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NNc3ccccc3)CCO2)C1 1829802979 BLJVMJOVFFAFRX-YYDVJCTNSA-N 444.532 0.486 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829899047 RNERBNBBXNNQOD-HSZRJFAPSA-N 442.516 0.426 30 20 ICED CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1831106152 YQJQILQDDDNYFV-QHCPKHFHSA-N 449.596 0.457 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831405716 GNQRQJCYBQQQMR-JOCHJYFZSA-N 448.520 0.440 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831737016 QCYVXUKAJNHACN-JOCHJYFZSA-N 437.456 0.746 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832673130 XCHILOCGNLABFG-XMMPIXPASA-N 435.480 0.969 30 20 ICED COC(OC)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833389493 KJSSLSAETFFHTQ-QTCOBDOFSA-N 440.541 0.706 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833468705 NHSOWIMLAVIUGB-INIZCTEOSA-N 427.567 0.031 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1833477444 JMWFJTRYMJBNNA-WOJBJXKFSA-N 449.640 0.785 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ncccn5)CCO4)C3)c2c1 1834296952 QIYNZLKYGDLXDY-QFIPXVFZSA-N 447.455 0.608 30 20 ICED N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834704705 OYBBEBWPMHMKKS-UHFFFAOYSA-N 436.560 0.450 30 20 ICED NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834736697 ACMIVHOXCPWMNY-NRFANRHFSA-N 439.560 0.203 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1835352010 JREAPXWZLRAZEN-HTAPYJJXSA-N 429.473 0.977 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835662984 GAPPULFZLFMGLS-QFIPXVFZSA-N 430.505 0.636 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835665992 UJCGCBKREABULB-HSZRJFAPSA-N 444.532 0.565 30 20 ICED Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)o1 1835732195 HGOLYOTUDMZOSU-XQNSMLJCSA-N 445.568 0.964 30 20 ICED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)n1 1835750626 FSFXGYVARWXPAR-UHFFFAOYSA-N 442.564 0.699 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835761983 ZFCCUSSJXARGGS-IIBYNOLFSA-N 425.526 0.498 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128419 RAOSUXHPQKTQBA-JTSKRJEESA-N 449.504 0.039 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168889 NZDZDAKXGARKLM-OAHLLOKOSA-N 428.537 0.986 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)CCC1 1837154278 RAPXPHINFIFMES-HSZRJFAPSA-N 438.484 0.694 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837396996 QGEFQCMUECNTFZ-WZONZLPQSA-N 442.516 0.977 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486804 QNGQCBNWHRCCSI-WMZHIEFXSA-N 449.548 0.056 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837527593 QPUZBINNZVIHFS-LRHHQANISA-N 448.520 0.933 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2cnccn2)CCO3)C1 1837605992 KDCNDUWDLLPCMB-KSFYIVLOSA-N 443.504 0.018 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838376082 WHCUJBRTMZWHKO-JOCHJYFZSA-N 437.456 0.632 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838950013 JDBLKRPTGVSTPG-QHCPKHFHSA-N 437.500 0.995 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421983 WIGNPBCXYQYQNG-LHSJRXKWSA-N 432.452 0.292 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(Cl)c1 1839423656 PUIUWRVFBJRESW-DYESRHJHSA-N 446.891 0.560 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1839470909 LEKXRHQHTOTNOG-QFIPXVFZSA-N 437.456 0.833 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)C1 1839623070 LCBBIWAMGPJNAI-NRFANRHFSA-N 429.452 0.905 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839843708 KXIQLXWMMVKLHW-MRUHUIDDSA-N 441.525 0.498 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839863771 GFXYBKHEEKBXDA-OAQYLSRUSA-N 437.613 0.759 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)C2)C1 1840044795 YGRCNHRESMMBEL-ZHRRBRCNSA-N 446.887 0.914 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157663 XBBLWGYRKXFVKQ-SIFCLUCFSA-N 445.582 0.922 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840425724 BSHPUGWESZLNFS-OPAMFIHVSA-N 439.472 0.819 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1840713558 FSRLRUVYVSMRHA-JTSKRJEESA-N 438.488 0.675 30 20 ICED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845510192 CXMPKJZVBZCGSS-UHFFFAOYSA-N 439.877 0.617 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1847806406 XQCJLXGZQQHQSZ-FHWLQOOXSA-N 448.564 0.779 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 23763106 YFGBVCSEMDETFO-UHFFFAOYSA-N 440.525 0.995 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCN(C)S(=O)(=O)N(CC)C[C@H](C)C#N 409504506 ZBZYUFZGBLRORK-JKSUJKDBSA-N 436.604 0.351 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1=O 410104819 CHIKIIBXVLOLAN-UHFFFAOYSA-N 442.881 0.101 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CCO1 410147034 GQURHPQVJXDUQV-UXHICEINSA-N 428.514 0.973 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 432301606 JZBSBWDZPQXWII-OAHLLOKOSA-N 434.460 0.976 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443267626 ARORVPZKXFNCMX-SNVBAGLBSA-N 434.396 0.793 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Nc3ccn(CCC#N)n3)CC2)cc1 444414126 FUOKEWGNPGPEQY-QGZVFWFLSA-N 430.534 1.439 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 448447538 NXUTYWCEJMRNCQ-FZMZJTMJSA-N 432.424 0.895 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1C 467549523 AQYIZRXZGSRWMO-ZDUSSCGKSA-N 427.482 0.192 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(NC(N)=O)CC2)CC1 471025348 LFCMDUIYIRXIRM-UHFFFAOYSA-N 427.465 0.588 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)C1=O 476244220 ZFZNZFPLFPPJIY-AWEZNQCLSA-N 428.445 0.446 30 20 ICED CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 478206010 ZMXHOYAWAODNMD-IRXDYDNUSA-N 440.460 0.706 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 479910308 FCLDDDYNIYLWNI-CYBMUJFWSA-N 444.469 0.767 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 481249683 JGKXWKHDSILIGC-CQSZACIVSA-N 442.501 0.068 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 492747904 LUNHMWCJKHKLBX-QGZVFWFLSA-N 434.518 0.567 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2=O)cc1 503843001 FLKSICUNSLBYIY-QGZVFWFLSA-N 434.499 0.680 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 504178462 YOLPWGKVKAPOHD-AZNNDXHDSA-N 436.468 0.722 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508488662 KINGECZNCLGNOK-UHFFFAOYSA-N 441.540 0.556 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 511965907 VNZDFXOKLJBZGU-UHFFFAOYSA-N 449.470 1.000 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] 517353505 QRFFRZOKAWMMSX-UHFFFAOYSA-N 442.453 0.184 30 20 ICED Cn1cc(Br)cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1=O 519771971 UMDMGZYIBWKIOT-UHFFFAOYSA-N 425.264 0.936 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(CS(N)(=O)=O)c3)CC2)cc1 522198705 GLNVSXCZVYZLQR-UHFFFAOYSA-N 448.526 0.493 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 522278475 URLDVVUWZSBQHY-UHFFFAOYSA-N 447.944 0.962 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOCC 523735609 AJPHVUKKWDLZQL-UHFFFAOYSA-N 443.525 0.747 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CCNS(C)(=O)=O)CC2)o1 532920395 KMBUBTILZIPMGI-INIZCTEOSA-N 438.554 0.297 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)c(F)c1 542077947 KOMQDZLCENKBTB-UHFFFAOYSA-N 442.432 0.785 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543928583 UAEIVGIVCGGQCM-UHFFFAOYSA-N 439.451 0.268 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 552775596 FGDJUUNJTCZUEN-HZPDHXFCSA-N 436.509 0.675 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 557747150 VALFLYKGOXXGAJ-HXUWFJFHSA-N 426.521 0.315 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(C#N)cc1 559722304 CIZDIROWHSZZKL-KRWDZBQOSA-N 449.515 0.711 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 561398139 PWLYNTQECPWLBB-STQMWFEESA-N 442.567 0.919 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 565391167 PGBVVZGKNKGNRX-UHFFFAOYSA-N 428.470 0.948 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 580899587 XDIZGPKXPOGZHZ-OAHLLOKOSA-N 447.569 0.705 30 20 ICED CN(C)CCOc1cnccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 582631065 DAVIQJFMECYVKF-UHFFFAOYSA-N 431.518 0.831 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(F)(F)F)O1 588868250 BEJGXUMIKBLUMG-KCXAZCMYSA-N 438.406 0.954 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN(CCC#N)CC3)CC2)cc1 611175437 CGXUBBDIPIYISC-IBGZPJMESA-N 433.578 0.748 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(=O)N(C)C 618460671 WBCTVUMLCFZHGR-UHFFFAOYSA-N 442.541 0.344 30 20 ICED C[C@@H](C(=O)NCC#CCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C)n1nnnc1C(C)(C)C 681338861 HOVCKGDJOYTQSE-OKILXGFUSA-N 444.544 0.313 30 20 ICED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731851119 HRSPYMSVFWWKHS-NXVVXOECSA-N 437.430 0.065 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(nnc2C(F)(F)F)C1 739816018 DDWBIYWOYXUUDP-UHFFFAOYSA-N 428.396 0.768 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742705531 VZFNFTVGSIKESX-CYBMUJFWSA-N 448.505 0.102 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747820005 GRZKPRXGLZHYDQ-UHFFFAOYSA-N 448.545 0.107 30 20 ICED CC(C)N(CCCNC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)S(C)(=O)=O 750960705 CPBXSLWCHRKSCL-HXUWFJFHSA-N 449.533 0.502 30 20 ICED CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCOC2)C1=O 751683723 KDPDYFZGDBQXQT-SJORKVTESA-N 447.561 0.964 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)cc1 754452937 DYXAEEPPKCQLEI-WRHNGFHOSA-N 434.543 0.760 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(-c3ccccn3)c2)c1=O 758050116 CIYHJAZNTCGVPG-UHFFFAOYSA-N 444.516 0.871 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 760879806 YRZWIWBRRZWANM-UFOSLELVSA-N 449.508 0.535 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 761102789 OSCCNKFFSBUVRN-UHFFFAOYSA-N 430.483 0.161 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2sccc2Br)c1=O 764997169 DKTSDIZKGUSCQH-UHFFFAOYSA-N 444.357 0.805 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnnn1CC1CCOCC1 768358998 UKYWOGROCJBHEM-UHFFFAOYSA-N 434.478 0.272 30 20 ICED CC(=NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 769808452 HOZZXXGRZKQBJG-UHFFFAOYSA-N 433.450 0.658 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776788323 NPGBFXUCLZXXEU-HNNXBMFYSA-N 429.543 0.620 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)O)cc1C 777301286 JDPYSBNBMWUUSM-ADLFWFRXSA-N 437.518 0.683 30 20 ICED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)s1 794623166 KGRIDBDVKDFJCW-LBPRGKRZSA-N 446.554 0.474 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cscc2Br)c1=O 795198676 ZZCMQCGKXFZREJ-UHFFFAOYSA-N 444.357 0.805 30 20 ICED C#CCC[C@H](O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801305163 GDKPMGMIXVKCSN-INIZCTEOSA-N 425.482 0.183 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)n1 808185812 DRUMBOVNZWNXBR-HXUWFJFHSA-N 443.548 0.931 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809308517 IMAPABWIHCZJDC-IAGOWNOFSA-N 439.921 0.470 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[C@@H]1CCCO1 809313056 QHWSPXLJKYGXCT-ICSRJNTNSA-N 426.517 0.629 30 20 ICED COCC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810468163 CYZCSRQHKXBQOR-AKKXKAEUSA-N 440.522 0.606 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249934 FFRRDRQEHWPSFB-UHFFFAOYSA-N 443.435 0.417 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916876058 YQOSREMVRYIYCE-MRXNPFEDSA-N 432.502 0.709 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)c1 917769205 WFXAVACHODOSNK-UHFFFAOYSA-N 445.541 0.609 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 918798987 YVOWHGWBGSLHRG-WBMJQRKESA-N 431.898 0.673 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2=O)cc1 1116029946 CGEGGIVFOPSQMO-WMZOPIPTSA-N 434.518 0.516 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1327069602 XOKDSLAQAAAKMN-OAHLLOKOSA-N 429.502 0.631 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccn1 1360708604 ZVEJGVYRWFFJSE-MAUKXSAKSA-N 444.565 0.703 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1503377143 MLIPJTFPTJQKFP-UHFFFAOYSA-N 433.520 0.809 30 20 ICED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1585983503 JDTGZUFAAZUIIY-INIZCTEOSA-N 439.472 0.657 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1692676779 UIERJRSMJSCHSR-WIEQDCTASA-N 428.493 0.969 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1706625374 LERAONBCRQIGAL-QGZVFWFLSA-N 443.483 0.643 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1760667020 QNPWYMWBWACIFG-LJQANCHMSA-N 440.504 0.700 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1769129389 USXAJYVKUCSUIR-CQSZACIVSA-N 433.538 0.526 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CC1 1778355315 SXEZZIZARFXARA-QHCPKHFHSA-N 439.516 0.166 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1780802945 NZDFEFXQKLOJEV-MIALQEHNSA-N 445.582 0.982 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)[S@@](=O)c1ccccc1 1781499521 JRESYFMUKSPJJW-PVDWPBROSA-N 446.525 0.785 30 20 ICED COc1ccc([C@H](O)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782009737 WQXXVBCLHXHYHM-PIPMEXSNSA-N 430.457 0.331 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1782873986 CDFPHNLENZXUGE-JWQCQUIFSA-N 448.523 0.863 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783399602 GCWIEMADDWZESK-NRFANRHFSA-N 439.509 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980960 LPRNYKQLDNZMPA-QGZVFWFLSA-N 435.399 0.004 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(O)n1 1784029708 DDLYNKJAWHFVMB-HJPURHCSSA-N 442.516 0.876 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785371573 GQHGJOITUDOGEB-VGSWGCGISA-N 435.521 0.723 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725571 OWJOACBOMVXZRL-AVYPCKFXSA-N 443.566 0.771 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccccc4=O)[C@H]3C2)cc1 1787013280 GOHZOSQYLLZGHY-ACRUOGEOSA-N 434.496 0.942 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788290725 ANWYNERGXLZTQI-SZMVWBNQSA-N 439.520 0.604 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788434247 DBRDXTYLIDFVNQ-BODMPHMZSA-N 439.468 0.453 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789798461 XAQCHTRLSWCMMG-SLHNCBLASA-N 437.585 0.403 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790387929 BYRQZHHUYHZVPG-IEZWGBDMSA-N 428.537 0.704 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1790574553 GXKUBOMVFKXPGK-ZVZYQTTQSA-N 447.536 0.775 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2 1793340330 RXHPSPOELRHZGQ-DWADQXAYSA-N 426.513 0.910 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccnc(OC)c1 1793898683 KREQSPQKLRDKRX-GUGIZKONSA-N 442.516 0.471 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])c4c2OCO4)C3)CC1 1795412707 VTZSRZMIKCHVKI-JJLQDPRZSA-N 428.401 0.830 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc2ncccn12 1797028129 FQCSQQYEPCKDPS-WIHHOWHQSA-N 442.476 0.462 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498215 KGVKKDOQFVFPSN-BKEDOTJMSA-N 442.476 0.094 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cnnn2)c1 1801436838 CMJGNTCKMFBSRE-GMLZMKKNSA-N 425.449 0.018 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCC 1801498193 LZQLYGCGVHSPHU-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1802022002 PBAOXOTYAQVWHE-FAQVEIGNSA-N 437.500 0.496 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1802126607 LDXTXFWNLWFXAE-YYIAUSFCSA-N 432.477 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)NC(N)=O)[C@@H]1c1cccnc1 1802481387 IUUDZUGJERHHMH-RVXRSYSXSA-N 442.520 0.393 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190040 CGCIDBMMSVVJRO-YOEHRIQHSA-N 435.431 0.851 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)CC(=O)N3)[C@H]1c1cccnc1 1809689724 PWCGYAFELILECA-OPAMFIHVSA-N 432.436 0.984 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1811532735 KOOYMFIGDMHONS-JTSKRJEESA-N 446.467 0.916 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(=O)c1ccccc1 1812872705 HHQLGUNWPFGSEE-WMZHIEFXSA-N 448.479 0.948 30 20 ICED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1821988257 RWYPIYLWWSYAON-OAHLLOKOSA-N 429.468 0.900 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1822922534 STBFRYODVMOVNT-AWEZNQCLSA-N 436.534 0.897 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628889 YRKPKONGOSNDCV-SBUREZEXSA-N 442.516 0.459 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1831221709 ZOQXWRXXZDTTIS-JOCHJYFZSA-N 426.448 0.957 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831487996 UQEUREOEQVBHOE-PXNSSMCTSA-N 433.534 0.754 30 20 ICED CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833514680 RXQPMYCOFZDTMZ-QHCPKHFHSA-N 443.548 0.996 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1F 1833668990 FAGOHPWXPYEXKH-QFIPXVFZSA-N 426.448 0.979 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc1 1834374686 VZPXYVUPKSJQAT-JOCHJYFZSA-N 429.521 0.742 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cnn1C 1834424999 RZBWHEFGOKBKPY-ZJHLSYPMSA-N 429.477 0.511 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835673101 WHOGHCBEOGCZJJ-JOCHJYFZSA-N 429.521 0.742 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1835732641 SLBLULIVUHSGMY-FLVDCRJSSA-N 432.569 0.166 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3cc(C)[nH]n3)CC2)CC1 1835784765 FJXDRUXAUFONDL-PLNGDYQASA-N 442.564 0.691 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1836082038 TZXMOSAYFVBREL-LJQANCHMSA-N 430.490 0.359 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837398824 KAESZZLONYEBTL-WMZHIEFXSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837438987 CPELEENGSUAIPC-DUYDGHCJSA-N 447.561 0.912 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837533322 ORAXJGPIUMIODA-NQMNLBCASA-N 427.473 0.864 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837564167 AHZLDTIHWRMYFD-WNBNNUDTSA-N 447.879 0.912 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C1 1837670995 YLZYCMUKKGBIJQ-FVJLSDCUSA-N 425.526 0.339 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949714 TUYOKINKBQYJLU-JLTOFOAXSA-N 449.464 0.046 30 20 ICED Cn1nc2c(c1C(=O)N1CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC1)CCC2 1838710788 MKRDPKGCKDDNFA-UHFFFAOYSA-N 428.489 0.609 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)C1 1839066129 WSJLTBZDMTVUDT-NZQKXSOJSA-N 426.517 0.970 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1ccnn1 1839421860 PBPYOAANRWIXDT-QVKFZJNVSA-N 442.451 0.620 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839435133 NVLBJWSZNRUOLG-QHCPKHFHSA-N 435.484 0.751 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516099 APVXRHSKAKQIGE-OXJNMPFZSA-N 438.550 0.690 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840161591 USWFQJZLOIOCFC-KPOBHBOGSA-N 435.502 0.496 30 20 ICED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1840347253 RKSSEEUYKYPQNN-QFIPXVFZSA-N 440.504 0.860 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716894 WSPNTRJWBVHWDR-KSFYIVLOSA-N 428.489 0.520 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)c(C(F)(F)F)n1 1842909046 DVARXSMPMDGQPR-UHFFFAOYSA-N 435.410 0.629 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022807 WAXXHKHTBYPXIJ-UHFFFAOYSA-N 446.529 0.604 30 20 ICED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301421 GBZUKBFTQJWPLD-CYBMUJFWSA-N 442.582 0.880 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846594331 DPJUVXYOIGSGGT-INIZCTEOSA-N 443.504 0.975 30 20 ICED COc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(OC)c1OCC(N)=O 31080310 QEESOTOVMXVUJA-UHFFFAOYSA-N 425.445 0.797 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 442318193 BBTDSZHLVJGWMS-QAETUUGQSA-N 443.456 0.493 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 446529930 KRUBRANUTOPSKU-ZWKOTPCHSA-N 449.529 0.736 30 20 ICED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NCCCN(C(C)C)S(C)(=O)=O 460936300 XXRNMBFUKDGJBG-UHFFFAOYSA-N 447.355 0.967 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C#N)CC2=O)cc1 461862020 UPYYUCFAMHMTCW-RDJZCZTQSA-N 434.518 0.821 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 464811542 UGJJXSCYBNMHGT-WMZOPIPTSA-N 428.541 0.511 30 20 ICED COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464854983 HMLKGJYBRHQVEJ-MRXNPFEDSA-N 437.504 0.931 30 20 ICED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 465480733 XIFHJAIALFSZLA-JXFKEZNVSA-N 434.500 0.985 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(-c2ccsc2)c1=O 479396184 PBGYTIVEHBILCP-UHFFFAOYSA-N 443.554 0.833 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(Cc2ccon2)c1=O 480941776 ZPTXMNSLWOZGIB-HNNXBMFYSA-N 440.481 0.646 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 484639552 DOQYZCBLHHTIOY-UHFFFAOYSA-N 430.511 0.916 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1Br 500228437 JABHKOPNBAXRSC-UHFFFAOYSA-N 425.283 0.412 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1Cc1ccccc1 512612585 PIKGUQFYAQZVQE-SFHVURJKSA-N 437.591 0.785 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 514819761 KDJLGNAHIREART-UHFFFAOYSA-N 426.498 0.750 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 516076568 ODVJJUBVMFPVSV-UHFFFAOYSA-N 430.428 0.457 30 20 ICED CCN(C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 521329453 FCRWHNRMIGPFGL-UHFFFAOYSA-N 427.548 0.746 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 524579305 MNPKJAALWHQVGV-INIZCTEOSA-N 442.563 0.731 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)o1 527230927 GFGVZZBNWKQZTQ-UHFFFAOYSA-N 444.517 0.999 30 20 ICED COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 530361917 ADWHHNHVFDZGIW-UHFFFAOYSA-N 439.520 0.958 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544124340 VGRRXTOVXFCYHN-LJQANCHMSA-N 441.513 0.881 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 556517457 BXXAHUJLUTUDLT-LJQANCHMSA-N 433.578 0.645 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 559684257 CGRIBZKYOGNQBA-MRXNPFEDSA-N 449.533 0.448 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(C)(=O)=O 568373742 DCOHIYHLEMQRDZ-SFHVURJKSA-N 435.550 0.011 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 569524421 MSAPKARUGVCKJX-QUCCMNQESA-N 439.516 0.351 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 571931735 MSJZEIFFHFAKIA-LLVKDONJSA-N 447.448 0.687 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1=O 583724964 LTFUVYFUNZEBOK-CQSZACIVSA-N 430.324 0.973 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC(C)C)CC1 598917047 RQMITXJXOGFXQK-QGZVFWFLSA-N 429.521 0.999 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 603730693 YKFRFJBTMWSWEO-UHFFFAOYSA-N 425.532 0.749 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604269760 ATGOPGPZWRMZOI-UHFFFAOYSA-N 440.569 0.890 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2)c1=O 609564025 PAEJOALWGDCICZ-UHFFFAOYSA-N 442.566 0.076 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)cc1 610468329 REHLBDAPVGNZQD-GOSISDBHSA-N 426.502 0.850 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(CCC#N)CC3)cc2)C[C@@H](C)O1 611176084 TZSSHFANZKZJBR-QZTJIDSGSA-N 449.577 0.954 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 617022540 MGIRUFIPNNCFET-HOIFWPIMSA-N 438.488 0.679 30 20 ICED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 725718673 XSXREFZWWKJTRB-UHFFFAOYSA-N 438.550 0.847 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1=O 726042078 DOYWENFGIPBSKO-KBPBESRZSA-N 445.428 0.193 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)C1=O 726042587 KSQKJWCJGHOROR-UHFFFAOYSA-N 425.405 0.526 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCCn3ncc(C#N)c3N)c2)C[C@@H](C)O1 729806876 OPQZKVPXGJEPOK-ZIAGYGMSSA-N 433.490 0.992 30 20 ICED N#C[C@@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)C(=O)N1CCS(=O)(=O)CC1 732908011 GZBZFBCAHCKFGC-LBPRGKRZSA-N 437.865 0.915 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 733149570 LGTAFNPYJHHQQZ-UHFFFAOYSA-N 434.562 0.518 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc1sccc1C#N 745353592 OIBOZGHWSAIEHK-SNVBAGLBSA-N 425.492 0.819 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)c1 746814068 NGKPEYYOAFKMAF-ZYNBKEAPSA-N 449.533 0.552 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 747736319 DQIHLOIROYCGSB-UHFFFAOYSA-N 446.573 0.289 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)cn3C)C2=O)cc1 751733918 KCNOJXSWSFQDCE-FQEVSTJZSA-N 425.401 0.561 30 20 ICED Cc1nnccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 753520306 WYYLFTMNKUQMCE-UHFFFAOYSA-N 429.458 0.347 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O 767638226 RSTJTVBBYABGBT-DYVFJYSZSA-N 431.474 0.697 30 20 ICED N#C[C@@H](C(=O)c1cnc2ncc(Br)cc2c1)C(=O)N1CCS(=O)(=O)CC1 781475024 RSPFAOOVXRSBKD-ZDUSSCGKSA-N 437.275 0.972 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)nc1 781940260 VDAJUGCMOAVTDL-WBVHZDCISA-N 449.920 0.959 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 782902453 PKGMZCOTCRLUCC-UHFFFAOYSA-N 429.456 0.869 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)n1 789793625 OVKNYHCNNNPIIN-UHFFFAOYSA-N 425.445 0.406 30 20 ICED CS(=O)(=O)c1cccc(OCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 795328556 RTXVXYODIBGPPD-UHFFFAOYSA-N 438.483 0.862 30 20 ICED C=CCN1CC[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1=O 798571203 ZIHQLKCRYNIMRI-SFHVURJKSA-N 435.502 0.483 30 20 ICED COCCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 802406230 HFLOHUCROBLENN-INIZCTEOSA-N 434.522 0.782 30 20 ICED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805778883 LLPLUNNZDUGJBK-KRWDZBQOSA-N 436.871 0.866 30 20 ICED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808028988 OQJBXWPOGWOXLU-DOTOQJQBSA-N 428.493 0.585 30 20 ICED CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CC1 816126955 BEWRXLBDVKMDBP-UHFFFAOYSA-N 430.464 0.333 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 816128887 BBEBEVSGDCVGAJ-CYBMUJFWSA-N 440.434 0.907 30 20 ICED C[C@@H](CC(=O)NCC(=O)NCCN1CCCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 817156858 BFQPSOZCCABDIG-INIZCTEOSA-N 449.577 0.612 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)cc2)c1=O 838161556 CSIZFGUAECNUIK-ZDUSSCGKSA-N 435.933 0.864 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686479 WBWDWSQDNJFFCK-HNNXBMFYSA-N 437.518 0.777 30 20 ICED COc1cc(C=NNc2ccc(S(N)(=O)=O)cn2)ccc1OCC(=O)N1CCOCC1 914695767 HONSNIOGEMBCBM-UHFFFAOYSA-N 449.489 0.421 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917366982 DADFKXLCKPTLKV-UHFFFAOYSA-N 449.577 0.518 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 917804178 FEUSYSTZEQZTRH-XLNRJJMWSA-N 447.517 0.779 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1297778367 VJLRIKQZNXVPAY-HNNXBMFYSA-N 445.549 0.813 30 20 ICED Cc1nnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c(C(N)=O)c1C 1318345881 NJROJBAIQMVLMG-QGZVFWFLSA-N 447.499 0.766 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N(C)C)CCOCC1 1360672355 PUHRSLNZYPBWKN-HNNXBMFYSA-N 439.586 0.739 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1468033453 QEZGDHSTOOQUHM-NSHDSACASA-N 431.312 0.874 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1502729249 MWIZAOJMCIOSGJ-LAUBAEHRSA-N 434.541 0.770 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)CC2=O)cc1Cl 1544135233 ZGJWGJIOBSEZKN-GXTWGEPZSA-N 439.925 0.596 30 20 ICED COc1cccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)c1 1563644466 PGROBABZRHVEFU-SFHVURJKSA-N 426.477 0.965 30 20 ICED C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1612996347 ZOOIOHVCLATBMY-ROUUACIJSA-N 431.541 0.630 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690336153 VWOQUEBAIQFRFG-UHFFFAOYSA-N 443.899 0.968 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749252722 VIHQUFDHLGKUSC-JQWIXIFHSA-N 431.906 0.910 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1750203637 NYNYKDVVBNZYGE-GOSISDBHSA-N 430.534 0.772 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1770746160 KWIWTESKZHSABP-DOTOQJQBSA-N 428.518 0.953 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1778362432 YMSCKJNQUHNYJA-URZJWIJPSA-N 435.521 0.458 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1779107074 ROQNAJRIWZJBDW-WUXBAQBOSA-N 445.520 0.874 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1779184170 PDFQEHLJTZYIAN-GBXCKJPGSA-N 437.544 0.853 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779315377 MEHWCMLZJLVLGX-SBBPMPNCSA-N 449.552 0.066 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1779397410 JVFHRTHXCMDBAP-DYESRHJHSA-N 430.505 0.075 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779941178 CIAIYBQNKCXTNC-BFUOFWGJSA-N 437.447 0.914 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cncn1)C2 1780739754 NBDMLINHDNCCKA-CBGDNZLLSA-N 433.509 0.862 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1781271164 BKQRREYSJMJMCF-JOCHJYFZSA-N 441.488 0.991 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452471 MGCIXENYERDTLM-OYHNWAKOSA-N 447.488 0.161 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c1 1788506038 NXWJIZNXFNJTQD-SZMVWBNQSA-N 437.504 0.793 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201699 ZBXXGHBJUGPZFD-LNLFQRSKSA-N 437.500 0.876 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)cc1 1789571764 LDBMGIAOUMJJTA-ZWOKBUDYSA-N 448.483 0.405 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1792566499 HLFUNNYUBHLBCT-OXOVRFNWSA-N 438.488 0.441 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793603102 IHGLUIFMHLETKB-RBZJEDDUSA-N 443.566 0.530 30 20 ICED Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)s1 1797740347 CKQRQIPHDJOZOB-VTJZSFSSSA-N 434.566 0.840 30 20 ICED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1Cl 1798346946 XADKYTFRTIDWOJ-JLVBRIDZSA-N 434.924 0.975 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1798472091 ZKHFVIAFORKCQJ-IYWMVGAKSA-N 448.516 0.818 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)C=CC2=O)C3)c(C#N)c1 1800035271 IKEUSLXOMIRFSM-BCDXTJNWSA-N 436.468 0.673 30 20 ICED 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)S 1800990785 ZFEXDJGWOKVCET-QMHWVQJVSA-N 425.551 0.811 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1801002133 KQMIFUHSUHDIJB-ZSBFGKGUSA-N 446.529 0.007 30 20 ICED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801442874 JTGTYVSTSMHLOV-PDZBNPCASA-N 432.477 0.326 30 20 ICED C#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]1CCOC1)C2 1802126237 JHTZCKYPKFGTFQ-UYTYNIKBSA-N 435.521 0.529 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)C=C)[C@H]1c1cccnc1 1802484690 WUCFALGXZSWDIU-UEYHBIDHSA-N 439.516 0.637 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1803542088 AMCRAWGLSQWXLB-LSWJPFSZSA-N 441.576 0.763 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CC1)C2 1804434042 JTFPBEMLMSVIJY-XGUBFFRZSA-N 433.509 0.697 30 20 ICED C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)n1cnnn1 1810290457 XTICWHNELPTIAX-QPSXFSKNSA-N 439.524 0.807 30 20 ICED COCCn1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812878434 XJIAOZFVSXPUQL-JXFKEZNVSA-N 425.445 0.332 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1813268222 WGPKOIOQGBAPNZ-APWZRJJASA-N 432.477 0.953 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817247656 MHZBLTCQRDVZTJ-GIJHZMMOSA-N 449.512 0.524 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1819455416 SIOMZZKBPRIKNS-AJQYCFITSA-N 434.497 0.654 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819773059 RZEVHSIBVVOERC-BJTYHLGISA-N 447.521 0.125 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819900228 HQYJFSSGXASEAO-PCUKALOPSA-N 437.478 0.693 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1820966155 DQXQYWJYSRUMDS-GXTWGEPZSA-N 433.469 0.755 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCN2C(=O)OCc1ccccc1 1828600095 NGOQPRDOTJFKJB-HSZRJFAPSA-N 449.467 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1829765191 LNWQLHMLHRIVMI-QJKPHDSHSA-N 444.488 0.480 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)o1 1829902097 HIKZYNPCXMFYAH-QFIPXVFZSA-N 439.472 0.491 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1830456895 WNKDKJLFOWGWNP-XMMPIXPASA-N 449.511 0.980 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831209123 IERMDISBGSKRPM-JOCHJYFZSA-N 426.473 0.523 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831391604 DFCHAGUBFQRVPZ-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1831434476 YBZSOVLZNCYCGV-QMHWCDLVSA-N 432.517 0.638 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831486451 XRDWJBLTUXIYNA-DNVCBOLYSA-N 426.539 0.765 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831495907 PEIYGEHTMYZIHI-CLCXKQKWSA-N 432.539 0.959 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1832455936 CUUZBOZCEPHHHV-BEFAXECRSA-N 428.555 0.070 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834766656 GQOLEHOHROLYAI-ARJAWSKDSA-N 430.509 0.159 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)[S@](=O)c1ccccc1 1835362592 OWSSSGZBHFGBFO-CJHUWTACSA-N 433.530 0.943 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835775495 SLYJBZKTMRZFJU-ISMCVSHCSA-N 427.501 0.777 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974049 XPACSBPPVXCUPG-JXFKEZNVSA-N 440.928 0.566 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128424 RAOSUXHPQKTQBA-VGSWGCGISA-N 449.504 0.039 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(cnn3C)c1OCC)CCO2 1836378795 ZWERIKQCADVMOI-NRFANRHFSA-N 427.461 0.070 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836889188 IDCPSYIAOGSUIZ-VGOFRKELSA-N 443.504 0.372 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1837429404 WXFQRTWYDKGDOT-AVRDEDQJSA-N 449.624 0.773 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837524341 FZVUQAZIIZFXMK-RRPYSREYSA-N 448.476 0.386 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524835 OSKOBFXSHHWTCF-QRKQOGHMSA-N 436.465 0.582 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528327 GUJNIHZCCOTOFU-YHTQYMMHSA-N 435.481 0.317 30 20 ICED Cc1ccc(NCCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1837543589 DRZANOLUPSXNHP-HSZRJFAPSA-N 443.500 0.650 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838545485 FRAICLFXAQLDEY-DEOSSOPVSA-N 442.512 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838667801 XHDNYEYMMCSOKU-DYRFGFBLSA-N 444.488 0.024 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1scnc1CC)CCO2 1838835765 AEPCZGWHLCMWSM-QEVIJRNUSA-N 448.545 0.634 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838907517 WZXJOLJBWZQQQM-HSZRJFAPSA-N 446.467 0.985 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1838953150 QEJMJAWAWMDKHH-RXVVDRJESA-N 447.513 0.205 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)ccc1Br 1839400855 DBWHVJVWAFOSFQ-GOSISDBHSA-N 437.294 0.349 30 20 ICED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487925 MFHUJKWRXGEMCZ-QKKBWIMNSA-N 426.477 0.099 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839881749 IADIHECSZWCAEW-QZMQVMSPSA-N 442.516 0.908 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1)C(F)(F)F 1839892223 ZUAYYOCLMNCFFK-QGZVFWFLSA-N 430.383 0.801 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1)C(F)(F)F 1839893179 RECPHYNFOLWLEM-PYTPGESOSA-N 431.411 0.396 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@]3(F)Cl)CCO2)C1 1840243677 GERNXXJGTBPPCI-ZOCIIQOWSA-N 430.908 0.649 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840293499 FMNAHWVQBXWWHF-QFIPXVFZSA-N 425.489 0.993 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343039 HGSOZBDDVOSOAD-MLAAEQDMSA-N 430.509 0.351 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840588217 XEQZUWSNDMONJS-PGRDOPGGSA-N 436.553 0.541 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840818497 GDUFGQQPFBZXKN-FQEVSTJZSA-N 443.485 0.559 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1841583011 LRGJKPANBWGVPF-CYBMUJFWSA-N 444.517 0.579 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 108755452 UWNNKZKADWERCT-UHFFFAOYSA-N 426.499 0.623 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 438763597 LJSOECOKXDYBGT-UHFFFAOYSA-N 439.513 0.998 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 446674866 DXACZULORWNYNF-KRWDZBQOSA-N 432.546 0.628 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 465421165 JWXBPMQJZHCTLM-CYBMUJFWSA-N 435.423 0.744 30 20 ICED C=CC[C@@H](CC)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 467685328 KKPVWGWFMLVBPS-HIFRSBDPSA-N 425.507 0.841 30 20 ICED COCCN1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 471096550 VOOQOWPXOBRMFL-UHFFFAOYSA-N 428.424 0.529 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(C(=O)CCOC)CC2)c(C#N)cn1CCOC 474837917 GUOTXFZPMOQKHC-UHFFFAOYSA-N 435.481 0.895 30 20 ICED N#C[C@@]1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCOC1 478652526 QPTOVDQQAXGPQL-HNNXBMFYSA-N 430.280 0.601 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479393168 DEMGPLGJKQZKLL-OAHLLOKOSA-N 426.498 0.298 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2CC)CC1 480156254 PNMNANIFFNXSCQ-UHFFFAOYSA-N 441.513 0.505 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 481506042 BPFNYFPIFLZHMS-MAUKXSAKSA-N 434.518 0.465 30 20 ICED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 483686703 VBVUUQTYPUFINA-UHFFFAOYSA-N 439.476 0.735 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486481275 UXYCQNPQLLDRDQ-IAGOWNOFSA-N 427.461 0.122 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2=O)cc1 487136378 JXBUNPHIULNBPR-SFHVURJKSA-N 437.504 0.743 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)CC1 491227160 ZKLDWSVRGKGUEE-SFHVURJKSA-N 444.532 0.938 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 508380080 SFATXLTYIRNONT-UHFFFAOYSA-N 437.382 0.760 30 20 ICED N#Cc1ncn(CCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 511396008 GEKYBOHGEUYCDT-UHFFFAOYSA-N 440.272 0.981 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513986057 WAYOTROIVFYNOJ-VLIAUNLRSA-N 431.518 0.856 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 519461206 WBVNOBSQGXHDHP-UHFFFAOYSA-N 435.550 0.517 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCCC#N)CC2)cc1[N+](=O)[O-] 520248659 DGMNDFYSBSDNIM-UHFFFAOYSA-N 446.507 0.933 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOCC 523735625 GWYSDOILSKEFEM-UHFFFAOYSA-N 430.486 0.884 30 20 ICED N#CCCn1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 524491969 MJFLJSZUOZMKLJ-UHFFFAOYSA-N 446.489 0.832 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)C1=O 534741140 SHWPYVLJRSWVRH-CQSZACIVSA-N 438.362 0.682 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCC(=O)Nc1ccccc1C#N 536547353 DNHTUWAOPCXLJT-MRXNPFEDSA-N 434.518 0.819 30 20 ICED CN(CC(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1)S(=O)(=O)c1ccc(C#N)cc1 552480462 VLVSCDCUTSEUBY-LJQANCHMSA-N 431.518 0.932 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 561147607 FURYIZRUBNXENS-ROUUACIJSA-N 429.496 0.573 30 20 ICED CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC(=O)NCC#N 577924865 NHWSJMYQSCDIJR-KRWDZBQOSA-N 434.543 0.996 30 20 ICED CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CCN2C1=O 588118046 XMXKLBYZRIIYKE-LBPRGKRZSA-N 427.280 0.978 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)CC2)c1C#N 589437858 XPSQPDLJXHWABJ-UHFFFAOYSA-N 440.464 1.330 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)c(O)nc1=O 602252115 DQBRRKRABLQSOA-UHFFFAOYSA-N 444.448 0.204 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c1 602252465 JPTGIZNKZZAFHD-QGZVFWFLSA-N 435.502 0.855 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(N)=O)cc3)c2=O)c1 608828997 UVPFRQPKJOYXSA-UHFFFAOYSA-N 448.504 0.646 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311403 WZPDHELCCVEJHD-UHFFFAOYSA-N 444.469 0.278 30 20 ICED Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1S(=O)(=O)NCC#N 609559852 XVBXSSUWZYAXHJ-INIZCTEOSA-N 441.513 0.905 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CC1 610133200 NOFNUZZGSOWDPD-UHFFFAOYSA-N 440.957 0.260 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 611492470 MCQBYYOGYGFHKQ-UHFFFAOYSA-N 442.516 0.571 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 728880796 GNYWAPUEHDLACS-UHFFFAOYSA-N 435.550 0.128 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 729257393 AXFTZSTVEDNXPQ-UHFFFAOYSA-N 428.577 0.993 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CCOC 730252579 NIMVHVYGIYPXPD-UHFFFAOYSA-N 446.485 0.502 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)NCC#N)ccc2Cl)C[C@H](C)O1 731233662 OEZJIIVJUGDLIS-RYUDHWBXSA-N 429.882 0.934 30 20 ICED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 731237084 CXGNFKCTQHQZEW-UHFFFAOYSA-N 426.195 0.189 30 20 ICED CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 731895303 NYRXHWBHYRAHJZ-HAVVHWLPSA-N 437.522 0.470 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCS(=O)(=O)C1 733957197 VHEDWFMLDXWHFE-ZFWWWQNUSA-N 427.548 0.977 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675113 WUNNSEXAOIWEGG-NSHDSACASA-N 428.423 0.159 30 20 ICED C[C@H](CC(=O)NCCCN1CCC[C@@H](C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742618170 GULDDURMTCIIKI-HUUCEWRRSA-N 435.550 0.207 30 20 ICED N#C[C@H](C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)C(=O)N1CCS(=O)(=O)CC1 744129607 AEHLZMPUTQTYSN-DZGCQCFKSA-N 447.542 0.874 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 747276438 CGAMPYKKVXIRKF-UHFFFAOYSA-N 427.910 0.572 30 20 ICED N#Cc1ccccc1OCC(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 751851877 YIHNACNZZYFPOH-UHFFFAOYSA-N 426.447 0.996 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(CCOC)c1=O 753788801 QEPODKBWURSVGF-UHFFFAOYSA-N 439.545 0.642 30 20 ICED CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 756948910 UAKPFOBTQFSIJX-OAHLLOKOSA-N 431.561 0.451 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758559564 NXNYRSKWCOOCGI-UHFFFAOYSA-N 439.541 0.333 30 20 ICED COC(=O)c1cn([C@H]2CCCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)nn1 762463957 OGQCQQWZBYTQGF-KRWDZBQOSA-N 437.460 0.995 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1 765908041 QIYHLWFAFIPEJL-GBPUDXIESA-N 447.517 0.271 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781244385 UJALDJBGTIMOOZ-ZPHPHTNESA-N 435.400 0.394 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 783461934 FPCFQZXGSLZNAL-UHFFFAOYSA-N 428.470 0.612 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1OCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 783481827 YDCKBSANDAFBHV-QGZVFWFLSA-N 435.546 0.995 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)CC2)o1 796281114 XLVMWQVTSVJRJW-UHFFFAOYSA-N 427.421 0.088 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)o1 796490853 OKLRAEKFXZPDGK-MRXNPFEDSA-N 443.508 0.948 30 20 ICED C=CCN1CC[C@H](N(C)Cn2c(=O)n(CC)c3ccc(S(=O)(=O)N(C)C)cc32)C1=O 799143813 QGALAWBYLZPFEV-KRWDZBQOSA-N 435.550 0.749 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 800715120 KTGSJNFCKQLVEY-LXTVHRRPSA-N 429.543 0.763 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2=O)cc1 804052404 YHKKWXXWGDPDNN-OTWHNJEPSA-N 425.489 0.149 30 20 ICED C#C[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 806144992 ZKFPROYPMGQPBV-QGZVFWFLSA-N 449.577 0.993 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 810342726 CMAHURGBRVWYMH-UHFFFAOYSA-N 447.344 0.165 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 810445581 QZQXQYDANZIJSI-UHFFFAOYSA-N 432.424 0.754 30 20 ICED Cc1cc(C#N)cnc1C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 815340087 NBQHTCKKZANBON-UHFFFAOYSA-N 433.424 0.792 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 917155017 LBHQDESZAKSMIZ-UHFFFAOYSA-N 428.514 0.545 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 917868337 RWCWLTRTEJCTMJ-UHFFFAOYSA-N 444.579 0.495 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC 921130555 PYMZLGVGXWFSKA-UHFFFAOYSA-N 448.295 0.922 30 20 ICED N#Cc1cn(CCNC(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)c(=O)nc1O 1167528076 XVQKTEPIAMWQQI-NSHDSACASA-N 432.234 0.825 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286959917 IRYRAXSFIKOBBM-GJZGRUSLSA-N 446.537 0.803 30 20 ICED CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1298897652 PJLLPKLIIMWDKZ-QGZVFWFLSA-N 430.557 0.269 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1299135267 XOITUIFEJHAJNQ-APWZRJJASA-N 439.520 0.489 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1OC 1316330874 MFZGGDQVTRXHOQ-QKLQHJQFSA-N 447.517 0.216 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1OCC(=O)N1CCOCC1 1322310947 MTPDXZRTFHBNCB-QZQOTICOSA-N 428.445 0.779 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1C[C@@H]1CCCCO1 1339224009 VWIWZYBMBIYAKQ-INIZCTEOSA-N 425.514 0.581 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1512409508 PPJVUCNYRZUXRF-INIZCTEOSA-N 437.504 0.733 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1542633844 RJIUDFSXQYPDAG-HZPDHXFCSA-N 431.522 0.801 30 20 ICED COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1555555892 NJVZJIBNHSHQOC-UHFFFAOYSA-N 435.290 0.974 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(C)CC1 1558847127 VIEWHAARHSVBLT-INIZCTEOSA-N 435.550 0.174 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1693100973 LVZVAKZHGVPDNL-RHSMWYFYSA-N 433.538 0.959 30 20 ICED CCCNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1728195259 MPOBNCPFJSLNHR-HUUCEWRRSA-N 441.558 0.266 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1747730442 IPUYOOPZVGXDPV-GOSISDBHSA-N 437.504 0.986 30 20 ICED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1OC 1770304840 SIPDPRUHNLKRLP-XQBPLPMBSA-N 442.520 0.645 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(=O)Nc2cc(C)on2)C1 1778070984 KWQHDVACNLBOGB-DRSNIGMVSA-N 446.504 0.864 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778551726 HAEDOSUWJLBLEA-OAQYLSRUSA-N 430.509 0.391 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1778999342 UVZSOSCZEMZTFX-IIBYNOLFSA-N 448.596 0.466 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1779273162 NJDWARLMNJHSJU-ISXFEXJZSA-N 429.521 0.711 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779377428 LXALNYZEVXORND-GCKMJXCFSA-N 440.610 0.557 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)c1 1780335600 ZLHXCILLNWMPRO-SIAOZKNOSA-N 437.456 0.795 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1782058788 HLIXZOKGGSVSQS-WIYYLYMNSA-N 431.514 0.887 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1783051595 FPIBSJHQNDDMFC-HSZRJFAPSA-N 430.549 0.172 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1783896097 BHKRPDVNHYUHKB-BLVKFPJESA-N 433.490 0.440 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nn1C 1784240813 SZLVQMSHIRQNSB-ORUQEWHXSA-N 430.553 0.722 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)ccc21 1787959462 DTLOCPXMLLTSOH-BXWFABGCSA-N 425.489 0.774 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111485 WYRGGHVJOAXZII-FHWLQOOXSA-N 439.578 0.441 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1788523984 LTQFEJXSYMNEHI-OVWQWFNUSA-N 440.504 0.779 30 20 ICED C=C[C@H](O)C(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 1788573770 KVMBXSGNWPNZKS-MJUPKGCFSA-N 447.576 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600278 KPXAEKKCPJSMFB-PFNHYBGSSA-N 431.537 0.296 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1788653004 QJSTUELZQSLXRW-YKZZNEAGSA-N 435.477 0.822 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676908 WUZJGMPWAVPOFI-DAOKTODISA-N 425.507 0.113 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789714715 LHWIXKIYKKIENN-WNHJNPCNSA-N 427.505 0.843 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)ccc1F 1789908291 QGBWCUNRSWFKMS-QRFRQXIXSA-N 440.479 0.901 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1790830136 ILFQSDBDNRUZJZ-OVWQWFNUSA-N 425.489 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2 1792485503 LPTNHGCDJHRYCY-ROAZTASUSA-N 427.501 0.904 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1792630199 AYOVSQJCKGHFSH-HGKCTWBKSA-N 427.505 0.671 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793231099 KKTSGYOLUHBQNL-JTJHWIPRSA-N 443.544 0.921 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cccc1C=O 1795750073 NILMTXIXMXCENF-WUGSAGFFSA-N 446.504 0.980 30 20 ICED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)cnc2c1cnn2C 1796074638 KKGWXJZWRRJJOY-JFILPPLUSA-N 433.534 0.889 30 20 ICED 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)n1 1796701255 CAEOEAWNZHOIRB-AGGWBTHJSA-N 438.479 0.843 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797712283 APIYNFZJYRGHCM-JBZZHGOMSA-N 446.500 0.979 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797741845 DGBOFCARTRQCRA-FABZHEBTSA-N 439.516 0.605 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1797742237 MVZVVPRWFIEMDW-ZZFQSMGRSA-N 425.493 0.404 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1797742286 QRZNZNBKEBWMSK-KXJCPHRKSA-N 425.493 0.404 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465697 GPZOSVHYEWUHBD-YRPNKDGESA-N 448.516 0.818 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798493936 VCZCMVMIRCODJY-NYUBLWNDSA-N 428.489 0.226 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798576001 BZTMTMJCESAQAG-PIKOESSRSA-N 428.489 0.685 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1798862963 BFZFCKVZRJETJS-JLVBRIDZSA-N 444.538 0.622 30 20 ICED CC[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 1799369300 GKACMADOFXUKJA-NXEZDXNNSA-N 437.493 0.357 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c1 1799744927 FPDDMJIQIOEVAW-HBCWATKFSA-N 442.407 0.705 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)c([N+](=O)[O-])cc1O 1800986370 OQTWFBDUEBTCIY-DJQAVVSRSA-N 425.463 0.831 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801002250 YQECMFBATVVLEJ-WKZKVMAPSA-N 443.500 0.696 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCN(C)C2 1801183657 RPSSKAVIDDGFHA-AXLUSTFKSA-N 440.548 0.829 30 20 ICED 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)[nH]1)C2 1802124471 BRFBOVJLDOFQNU-KYHPRHEASA-N 445.520 0.838 30 20 ICED C#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)OC)C2 1802124753 IRYNUCIMXZEDKF-YVSFHVDLSA-N 437.537 0.918 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2c(O)cc(O)cc2O)[C@@H]1c1cccnc1 1811434236 WGFWWZKBDHMLBX-RBZFPXEDSA-N 425.397 0.606 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813222843 DFHZKZKUOPDNBO-OXQOHEQNSA-N 448.487 0.721 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CN)[C@@H]1c1cccnc1 1814208196 PFBDMOGFGQYGAE-JENIJYKNSA-N 429.521 0.963 30 20 ICED Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)no1 1817242531 BPWXRAIIMXAKIX-JTQLQIEISA-N 431.430 0.468 30 20 ICED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824957544 JKMJTYMTMHSZEP-MRXNPFEDSA-N 445.549 0.965 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1829759197 AWHVINHYONHRQA-KIOMOSBCSA-N 441.475 0.737 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829905558 GNFFKJNRLDSCIM-HZUJZGFBSA-N 440.500 0.597 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831608108 DBFSPRXGVUHURI-LHSJRXKWSA-N 448.907 0.793 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831628817 CQIBCVSUQALIQZ-UZUQRXQVSA-N 445.516 0.848 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCCNC3=O)CC1 1831671263 KZIXGJGWUVCQOX-QGZVFWFLSA-N 441.488 0.338 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)CC1 1833075463 OOTMWVJQIMYCCV-LIXSYLKWSA-N 445.608 0.758 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833840978 GHLJLEJWSUFSNR-SGSXCFNPSA-N 445.501 0.386 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834399419 RLLJLXNQDZNCHI-NRFANRHFSA-N 427.436 0.815 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100103 ADZGDXSHWVXTGB-MBSDFSHPSA-N 442.516 0.202 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1cccc(Cl)c1)CCO2 1835724054 IAVOUCXBOBTLJO-ZWDAVXSWSA-N 449.935 0.835 30 20 ICED N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732355 OTTCYUYMZFTEGN-OEAKJJBVSA-N 437.614 0.656 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)cc1 1835788186 PEBKRIHUCBXRRA-NRFANRHFSA-N 441.513 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1835821487 VRPPQLWTFKZMKQ-ROUUACIJSA-N 434.581 0.901 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)s1 1836076337 HLIBYRQQYRMONZ-WMZOPIPTSA-N 428.580 0.800 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837305125 PYFFGBVOKPSSLG-VFNWGFHPSA-N 432.477 0.726 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837676788 WOMVBMPQKWOTAR-SBUREZEXSA-N 442.516 0.933 30 20 ICED O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)N1 1837737276 WBMZSPOEHCWPLO-LKZQPVPRSA-N 433.553 0.735 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837743219 BESXDJXNRINALN-OPAMFIHVSA-N 438.488 0.852 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnn4ncccc34)CC2)CC1 1838058884 HRYKSTBYZLTUJY-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838192063 DYJNDDSBWRCYJO-VGSWGCGISA-N 432.521 0.809 30 20 ICED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838300799 BXDZZBUHVJBKKA-UHFFFAOYSA-N 446.592 0.953 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1838580443 CBMQLGLDTLMSRI-NRFANRHFSA-N 440.460 0.079 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838749696 BSJHQFGQJFPQRR-SFHVURJKSA-N 425.570 0.484 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnco4)C3)C2)c(C#N)c1 1839131612 NVYBURGNYSYTNG-QFIPXVFZSA-N 440.456 0.868 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839223824 JEIJCXVGOCBSPS-LIRRHRJNSA-N 425.461 0.728 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1839225568 NIPVWLTXEYZEAZ-HRAATJIYSA-N 444.492 0.600 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364007 HQWZOESAGNYYFO-NRFANRHFSA-N 430.461 0.179 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1839808133 LOGCSXBJHZXQBU-JOCHJYFZSA-N 441.484 0.535 30 20 ICED COc1cc(Cl)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044937 IMQWMGZTRFMWHI-HXUWFJFHSA-N 436.848 0.507 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)OC)CCO3)c(C#N)c1 1840211311 ZRQBWUKVEGCHJS-ZHRRBRCNSA-N 431.489 0.601 30 20 ICED CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840309821 LMODYMZVYBOXAQ-JNVNIICASA-N 425.482 0.522 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1842920608 GLQTVWXSBSHATL-UHFFFAOYSA-N 444.561 0.377 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)NCC)C1 1844232191 JHCDLZIKRMHFCN-CVEARBPZSA-N 449.552 0.814 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)cc1 22229133 YHJXDTGNRXMTAS-UHFFFAOYSA-N 432.278 0.515 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 428804976 MMVCWJIZJNMOHB-JKSUJKDBSA-N 425.580 0.423 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 443465763 HKMHBKYLKVQPCE-UHFFFAOYSA-N 441.307 0.432 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1S(=O)(=O)NCC#N 461368802 YEAJLFUNJOQCGP-OAHLLOKOSA-N 430.490 0.456 30 20 ICED N#Cc1ccc(OC2CN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)C2)cc1 461737469 OGIBPVYDMDVFBB-UHFFFAOYSA-N 428.426 0.403 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2CCOC)cc1 463998683 SKESPLKXYZWVBR-INIZCTEOSA-N 425.507 0.696 30 20 ICED Cc1c(NC(=O)CSCC(=O)N2CCN(CC#N)CC2)c(=O)n(-c2ccccc2)n1C 465150932 XPKFXKCULBIUTA-UHFFFAOYSA-N 442.545 0.824 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 465415828 IYAUYJROWMJHNY-OAHLLOKOSA-N 436.476 0.256 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)c1C#N 472865693 XUMXSCSGRGCSLL-UHFFFAOYSA-N 438.427 0.002 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(OC)cc3s2)c(=O)n1C 473422852 WCKPPCCHFCQGEY-UHFFFAOYSA-N 430.511 0.331 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 479927052 QRTULCLHUOABOH-NSHDSACASA-N 438.487 0.520 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 488651169 DEVPXTDRRRNINU-HNNXBMFYSA-N 426.470 0.535 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C 489194361 HRPBXGISAQOITL-UHFFFAOYSA-N 436.331 0.865 30 20 ICED Cc1ncc(S(=O)(=O)NCCN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489767015 YWBLTKVNTCCDPP-UHFFFAOYSA-N 434.503 0.436 30 20 ICED CC1(C)C[C@H](NC(=O)Cn2cnc(C#N)n2)C[C@](C)(CNC(=O)Cn2cnc(C#N)n2)C1 496613771 COGMCSPHNLVUDE-XOBRGWDASA-N 438.496 0.131 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)C1=O 505405233 XCCYKSUASYJYLC-CJNGLKHVSA-N 430.436 0.971 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C1CCN(C)CC1 512733328 KRSFHRZXALJEHE-UHFFFAOYSA-N 426.546 0.198 30 20 ICED N#C[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1Cc1ccccc1 512813008 BJFHSNRQNCHPJL-QFIPXVFZSA-N 428.581 0.796 30 20 ICED C[C@@]1(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 521519304 PIMRSSBDBWOIGC-IBGZPJMESA-N 427.442 0.530 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC)c1=O 523088771 ARTRYIYJNKMYHX-UHFFFAOYSA-N 443.525 0.317 30 20 ICED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035784 DLJXLABTWVOUHK-CYBMUJFWSA-N 431.474 0.584 30 20 ICED C[C@H]1CN(CCOC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 539189476 XGMDPTKQQJBAMB-IRXDYDNUSA-N 432.525 0.852 30 20 ICED C=CCNC(=O)c1cccc(-c2noc(CCn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c1 544356473 ZAPLMLHPEVLBDC-UHFFFAOYSA-N 435.444 0.642 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 546906008 WVBKWOHASWDDCV-UHFFFAOYSA-N 428.474 0.196 30 20 ICED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 549868076 NEOAKOJPXWLFSA-LJQANCHMSA-N 437.541 0.548 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CC2 553585552 DQQCCSISQDHQEU-HXUWFJFHSA-N 435.532 0.871 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 553653683 FVKSPWIZCNDVSW-UHFFFAOYSA-N 449.533 0.067 30 20 ICED CCOc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 564463778 ZPZRPJZLDLWQKL-UHFFFAOYSA-N 429.502 0.979 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 577673192 NAYJJIRNQMHXFG-UHFFFAOYSA-N 436.540 0.978 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)CC2)c1C#N 582931088 HICPRHSPIOOJHQ-FOIQADDNSA-N 432.550 0.420 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)CC2)nc1 587658503 AWFAKEHODNRUQU-UHFFFAOYSA-N 447.499 0.418 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 588124054 TZTBDLQAULPATA-FQEVSTJZSA-N 438.532 0.040 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 589242072 PGBNERBXDSMQCL-OAHLLOKOSA-N 436.534 0.936 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)cc2)c1=O 603795783 RQVNMKNGSWJMIR-UHFFFAOYSA-N 429.542 0.911 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 608883744 DBQHKFFLIFBVBA-UHFFFAOYSA-N 438.513 0.311 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726962816 VOYNGDMCHGPKBI-UHFFFAOYSA-N 438.513 0.311 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cnc21 727233376 ONLKAVCFRUXOHR-SECBINFHSA-N 430.222 0.635 30 20 ICED CCN1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 745085620 HJEDCCBDKPXXIV-SFHVURJKSA-N 448.545 0.809 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 745813693 PTGKRXSSJIVQBO-CVTQAYBASA-N 427.461 0.492 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746665246 ZQOCHGUITMUQCG-LTGZKZEYSA-N 445.567 0.949 30 20 ICED C[C@@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 750073297 WUTNXIKQVVHPOD-ZDUSSCGKSA-N 430.490 0.113 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1 750310351 AOMHKMHVPPXRRP-QGZVFWFLSA-N 429.444 0.890 30 20 ICED COc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1C(N)=O 755538852 VHYUQRBQMITDJM-SMDDNHRTSA-N 431.449 0.608 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(CS(C)(=O)=O)CCOCC1 756632891 CKEKTEQTDYFMID-CQSZACIVSA-N 444.531 0.610 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N=c1cc[nH]cc1I 759610082 FKDQSUBMSJWBDU-UHFFFAOYSA-N 442.238 0.785 30 20 ICED C[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)NS(=O)(=O)c1cccnc1Cl 760470650 QCYULRCEROPSFB-HNNXBMFYSA-N 443.957 0.866 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(C)oc2C)c1=O 767952352 HXESPTWLRDLRIT-UHFFFAOYSA-N 447.538 0.066 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1 769642132 SKKNAUDPBSUHRX-GFCCVEGCSA-N 430.442 0.506 30 20 ICED CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 771227022 FTTFCDWFCFKXHK-MOHJPFBDSA-N 444.517 0.929 30 20 ICED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)[C@@H]1CCCO1 774852241 CTJSYZMJQAKRKG-OTWHNJEPSA-N 445.516 0.490 30 20 ICED CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)N(C)C 782131050 KJHCGPIVPFXWBV-UHFFFAOYSA-N 431.474 0.857 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 783545059 JSEBUVCHSMRHSR-UHFFFAOYSA-N 435.955 0.853 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1C#N 788110342 GMQWPWQTMVCSEV-UHFFFAOYSA-N 428.474 0.094 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2OC(F)(F)F)c(=O)n1CCOC 790111222 FFAQJHUIUQHYCK-UHFFFAOYSA-N 445.394 0.843 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798744897 WHACEXNCZWQPNV-CHWSQXEVSA-N 434.478 0.968 30 20 ICED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 799845297 JLHMZNKRQGVMHI-DSNNACLLSA-N 435.506 0.079 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)C1 807109369 HDXHTWUTAQYQJL-DIMHRPKISA-N 434.497 0.908 30 20 ICED CNC(=O)c1cc(O[C@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 808234090 RGRKTPPSKPXHSC-AYAKEVCGSA-N 427.461 0.728 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)[C@H]1CCCO1 809304123 FMKKYEOCCWYWMT-QZTJIDSGSA-N 433.530 0.433 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 915777207 CANNLURBKQBYRZ-UHFFFAOYSA-N 442.501 0.905 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 917507235 RUVPPOFTHFQTEQ-DANTVBBOSA-N 426.429 0.811 30 20 ICED COc1ccc(CNC(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 920807824 MGLDBZWGONDJOE-UHFFFAOYSA-N 444.513 0.947 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1288525916 RJBSUXDHBUFZSP-BZUAXINKSA-N 426.543 0.776 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1294882574 XQXAARDEMOZANK-UHFFFAOYSA-N 432.488 0.999 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1299133812 MAZQYGFDQMKJMV-QGZVFWFLSA-N 425.493 0.683 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1299301363 MSGNSFUOWCNOAJ-AWEZNQCLSA-N 431.522 0.423 30 20 ICED CC(C)CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1303004658 VXEWJWDIYFWWKH-VKJFTORMSA-N 428.559 0.804 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1314683746 VBFAACSGXZDATF-QGZVFWFLSA-N 444.517 0.299 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1318497615 LSQQRDHDNHLZSW-ZWKOTPCHSA-N 439.472 0.613 30 20 ICED C#CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1325086824 YFNYXHWXFCMPPJ-IUODEOHRSA-N 445.335 0.483 30 20 ICED CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359639628 KCGIVOCKXWULCC-UHFFFAOYSA-N 445.549 0.671 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1499146375 YFGZNYIGKWOPJT-KRWDZBQOSA-N 444.565 0.715 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1502370523 LMSGKAVYJVQAKQ-SJKOYZFVSA-N 429.522 0.493 30 20 ICED COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1504093527 KAEIIPIRUPMLFM-DLBZAZTESA-N 429.477 0.939 30 20 ICED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1539772885 OSWARTQQEWZPFR-UHFFFAOYSA-N 432.916 0.936 30 20 ICED CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1610017694 OWDMJQPDTGZCCV-CQSZACIVSA-N 433.538 0.921 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1663928720 PKYUJUPSAHLZTC-UHFFFAOYSA-N 438.528 0.117 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1667096387 MOSTXEYKGBLIRZ-UHFFFAOYSA-N 437.497 0.554 30 20 ICED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1692727001 YNBJRZARGFRJPU-QGZVFWFLSA-N 437.552 0.944 30 20 ICED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1698358287 BYVNOUNRHOWWOK-ZFWWWQNUSA-N 439.611 0.960 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1722845775 YLZWLCJVEQRSBR-MRXNPFEDSA-N 447.446 0.539 30 20 ICED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1760820483 QBEKNOKYKHDSGB-AWEZNQCLSA-N 426.543 0.512 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1771532725 LBCSEMOHWOUHLJ-MRXNPFEDSA-N 431.447 0.719 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779218046 AZTYPBUDCAOEMA-GCJKJVERSA-N 429.521 0.443 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)o1 1779422364 FHHVLINDVSGEGM-WIAVOOCZSA-N 449.508 0.963 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)c1 1780333811 GJSXCVJKHOUBAZ-YVHKJVDXSA-N 425.489 0.731 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780936647 UKFXFTJEHXJUDJ-QHCPKHFHSA-N 437.496 0.545 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486790 YJQULTJLVNOLLT-VGOFRKELSA-N 446.504 0.267 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781537098 OBSSVMLKPYKFMM-VGOFRKELSA-N 435.521 0.812 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1781692168 DKFCVQOCQDUZLZ-NPFVIJTESA-N 435.521 0.817 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017291 GPWWUXNBWREFBG-XMSQKQJNSA-N 425.441 0.539 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782365936 GFQRIKXIFWFCKV-DYRFGFBLSA-N 441.463 0.775 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(C#N)CCC3)C2)CC1 1783124826 QDMIAUREBUAPGA-AUSIDOKSSA-N 431.581 0.832 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc2ccc(Cl)cn12 1783565508 MAVRODXPFKHVOB-HXUWFJFHSA-N 430.848 0.828 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783900146 PLZLJLLJCVJWME-JTSKRJEESA-N 437.537 0.896 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783904876 IUJRQWJWRMQHSD-IVZQSRNASA-N 428.489 0.626 30 20 ICED C#CCO[C@@H](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 1784475008 SYQUHXCDKMTDPV-ATIWLJMLSA-N 437.537 0.918 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1785571536 DUMFUMSHUSYFSK-XOBRGWDASA-N 449.533 0.898 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C1)CCC2 1786860054 QMHNKTCQRJNGGM-IEZWGBDMSA-N 442.564 0.784 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788637474 UNJXJLJKTNTDCY-ULQDDVLXSA-N 447.561 0.575 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790747731 OEMJSCFEPWYJBV-VIQHNZTISA-N 428.551 0.116 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2 1792484246 JPZHMNYWSUXVAE-OIQBNGKOSA-N 430.480 0.601 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2 1793340333 RXHPSPOELRHZGQ-OZHOZXLLSA-N 426.513 0.910 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)c1 1794011741 MQCFMRYVHSGVOC-MUJYYYPQSA-N 425.445 0.370 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2 1795600723 GDNHBUGEGACVID-JLVBRIDZSA-N 442.495 0.958 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795601240 WUGLTNWVIHSOGP-APAFKAMOSA-N 446.548 0.613 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)c1cnccn1 1798550269 QBKYUGUQVKDMED-RPUYLAQPSA-N 429.521 0.806 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(C)=O)c1ccc(F)cc1 1799054579 XEPUVZATARJQNH-UDGMXHLBSA-N 445.491 0.631 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1799304422 PJDJFFBJSXDMBC-CURYNPBISA-N 447.532 0.486 30 20 ICED NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799625121 XZHRZQKWHQASST-ZSTXJBAQSA-N 444.488 0.518 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641945 KPEYRQPJBMYBIB-ZMMAXQRCSA-N 430.461 0.020 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2)n1cnnn1 1801436576 JQFVZOXKDVOZDP-BMFAXAFESA-N 432.601 0.875 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801948761 YKKXEPWMTAVBBV-ROPHOZQPSA-N 429.517 0.987 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1804177485 ZHMNTDWXEYCUKX-WIYYLYMNSA-N 436.578 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806633323 YSZRQQALJNBXMZ-HPYSDIGDSA-N 425.489 0.224 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cc(C(=O)O)ncn3)C2)CC1 1807568664 VOLWOVAGOASKML-PLNGDYQASA-N 441.488 0.878 30 20 ICED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(=O)c1ccccc1 1825661349 QGMVYGPWHMTPNJ-CQSZACIVSA-N 440.481 0.915 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)[C@H]4SC(=N)NC4=O)C3)C2)C1 1829668125 HEBSVYJGUZOKET-RCDCFZSISA-N 436.534 0.211 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1829907814 RAQYAPYKNLFTBR-NRFANRHFSA-N 447.513 0.375 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831398601 HXFWSKGKTOYBAL-QVKFZJNVSA-N 427.461 0.066 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831405556 DNLLRAIALIQEOH-NRFANRHFSA-N 448.476 0.228 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831433833 ZQPCAGMLNVZOIO-VLIAUNLRSA-N 447.517 0.747 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831627530 ACJPSQSLHGFZCX-LTSQEINCSA-N 427.498 0.254 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831904896 LCSWCACZENLFMP-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1832548040 NJUKHTADLBTZDH-HYFFOGBASA-N 433.505 0.545 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)c(=O)[nH]c1C 1833386200 PKXCJXPFSGWWTA-OXQOHEQNSA-N 438.550 0.411 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833478215 PZLVSAZTRXJFKD-OAHLLOKOSA-N 445.520 0.951 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833483029 WOVCYWDPWKBFMS-DLBZAZTESA-N 443.610 0.830 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715455 GJNXBENFLXATMX-GOSISDBHSA-N 431.581 0.878 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)CC1 1835344549 JYKFUCYJUZALKT-QFIPXVFZSA-N 440.456 0.391 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836450806 GLHOFQCXUQILSJ-OXQOHEQNSA-N 433.534 0.982 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837398486 BUZSOLUGZQVWOJ-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1837398509 CKBWNNHOAZEVDG-VGSWGCGISA-N 449.504 0.881 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837524143 AAEPIZPOSYJBKB-XTSMJKTBSA-N 449.508 0.328 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837567364 GXZRJNQIVVZPJJ-IQTGRTGDSA-N 443.460 0.024 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)ccc1F 1838069753 HYEHZDFCIZWOMF-OAQYLSRUSA-N 443.435 0.439 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)no1 1838100432 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1840040840 ASNAJFKXRKAYJQ-OAQYLSRUSA-N 430.432 0.402 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840042127 CAAOCSGXTBLXJK-RDPSFJRHSA-N 438.480 0.728 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840158189 IKKUWBXSVOBJBG-VFNWGFHPSA-N 449.529 0.759 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840853305 GZRSQRBITKEOEM-SPEDKVCISA-N 439.553 0.321 30 20 ICED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1)NC(=O)OC(C)(C)C 1842910532 NZGYXLCELWITFG-MRXNPFEDSA-N 448.568 0.889 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1nc(N)n[nH]1 1847939362 CWHKPIFBLYDMLL-KKUMJFAQSA-N 447.540 0.991 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 427012689 RWQRXHWHLRFRQC-QGZVFWFLSA-N 447.517 0.222 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc2ncc(Br)cn2n1 465185060 DAYBONMYTALJIP-JTQLQIEISA-N 428.254 0.899 30 20 ICED C[C@H](CO)N1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 470087420 QXIHMRXOQAAUSZ-QGZVFWFLSA-N 434.562 0.874 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 480121320 RMMYDVGBMUXKMQ-KRWDZBQOSA-N 439.524 0.844 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480961205 KYXYEULFLBUBIY-KRWDZBQOSA-N 436.493 0.744 30 20 ICED C=CCOC[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 481775365 DZMHEKYWKXGXSM-CYBMUJFWSA-N 425.235 0.906 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 482755185 URLDKQYAGNAKJQ-UHFFFAOYSA-N 448.545 0.980 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 482800046 ILQLOXGXIOJGEY-ZDUSSCGKSA-N 428.536 0.107 30 20 ICED COCCN(C(=O)CCC(=O)N[C@]1(C#N)CC1(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 484901106 QNLLOJUCAPBNGR-NRFANRHFSA-N 448.524 0.755 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)cc(Cl)c3)c(=O)n2C)CC1 485938839 GPMJPIAYMNWUEG-UHFFFAOYSA-N 434.924 0.906 30 20 ICED C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 499490830 FXHLQSNKWNFRBP-RHSMWYFYSA-N 428.536 0.688 30 20 ICED COC(=O)[C@@]1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 502718754 SUQROYLPZUBTMB-HXUWFJFHSA-N 429.433 0.377 30 20 ICED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508829403 UIQNLSPIVCKEGC-UHFFFAOYSA-N 432.492 0.802 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CC(C)C 515653694 JJUAJOPIMAAQBO-UHFFFAOYSA-N 429.498 0.560 30 20 ICED CCOC(=O)CN(CC(N)=O)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 520125747 RXOHKLXTFYQMIT-UHFFFAOYSA-N 429.433 0.900 30 20 ICED C=CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)[C@H]1CCS(=O)(=O)C1 532718194 XYQKTXVYOXYOEY-FQEVSTJZSA-N 433.574 0.941 30 20 ICED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 548289978 DKFBEUKWRJHDCB-ZDUSSCGKSA-N 425.445 0.275 30 20 ICED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2sccc2C1 551016755 SHCPJWJHQDKXLB-CYBMUJFWSA-N 429.550 0.879 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCCn1cnc(C#N)n1 568665807 AKAAMFTUFZHVEA-UHFFFAOYSA-N 449.493 0.391 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2=O)cc1 582688282 WNCIHCPOLYQCPK-LEWJYISDSA-N 432.480 0.894 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCN3CCCCCC3=O)CC2)nc1 585688917 BNYLMDMHPSYORA-UHFFFAOYSA-N 426.521 0.947 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)c1C#N 585688943 GFMSHFAQLQINRG-UHFFFAOYSA-N 429.525 0.158 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1S(=O)(=O)NCC#N 610635741 HWIQKXSAHFJGET-KUHUBIRLSA-N 433.490 0.247 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615104683 BPUKHDHFKCZPQF-QGZVFWFLSA-N 428.537 0.843 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cn1 615373283 HFOXZVKEUYGFDX-KRWDZBQOSA-N 433.403 0.916 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 619835860 CARBAINCRWFUGF-UHFFFAOYSA-N 429.458 0.880 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 673734909 OCWWLTQHADKXTK-HNNXBMFYSA-N 432.502 0.860 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CS(C)(=O)=O)o3)CC2)o1 726047922 XCEFQOWCTLNOHD-UHFFFAOYSA-N 436.446 0.498 30 20 ICED NS(=O)(=O)c1ccc(NN=C2CCN(CCN3CCOCC3)CC2)c([N+](=O)[O-])c1 731559120 BBMLWAGSOMWYLT-UHFFFAOYSA-N 426.499 0.438 30 20 ICED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 732468294 KLGNQHMYUGTJEL-XDLCVMBESA-N 446.552 0.535 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2SCC(=O)NCCOC)CC1 733149952 ZUYSNMASEJFSBN-UHFFFAOYSA-N 446.573 0.439 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOCCS(C)(=O)=O 741718985 OJYURORATNLBBK-OAHLLOKOSA-N 445.563 0.317 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C1CC1 745386832 IXCBCIGLGKSXOY-BTYIYWSLSA-N 426.429 0.268 30 20 ICED CC(C)N1C(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2S1(=O)=O 749379835 QHODLHYHIGEZAN-UHFFFAOYSA-N 434.518 0.928 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[nH]c21 756891629 GGJPIBVGLWZUJD-MNOVXSKESA-N 431.453 0.170 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 758771766 OMHUEXDSNRWTCF-DLBZAZTESA-N 434.541 0.695 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761835278 GAXZLSJBLNDNPF-UHFFFAOYSA-N 428.539 0.792 30 20 ICED C[C@@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 768250009 LLXBJBUGJWWSPB-YJBOKZPZSA-N 427.548 0.612 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CCOC 770651596 VPLBAHPDRUYUDI-UHFFFAOYSA-N 444.469 0.278 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)[C@@H]1CCCO1 773786302 GPQQSALYXIBCMC-NEPJUHHUSA-N 437.474 0.194 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CCCC1 779316225 QDJSOWNQKNNKFV-UHFFFAOYSA-N 444.535 0.190 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 781603277 ULKDRIWXSZEPAQ-FQEVSTJZSA-N 442.428 0.896 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1 782249762 MQLLUWPOACGBBB-OAHLLOKOSA-N 425.466 0.525 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 783013762 PAXFPYUZTRFKJG-UHFFFAOYSA-N 425.507 0.772 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 783481240 VXOOHBOLZHYKKZ-KRWDZBQOSA-N 440.481 0.921 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 796572304 WZFKUUZWEBASHD-QGZVFWFLSA-N 442.582 0.121 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 814572524 GUGFNPUJRAJMGZ-UHFFFAOYSA-N 430.486 0.787 30 20 ICED COCCNC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 899890144 MENWSEANDZCSQS-UHFFFAOYSA-N 436.534 0.507 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CCN(C)CC1 920397957 AKYFEXHDRSDJFF-UHFFFAOYSA-N 429.571 0.747 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CCN(C)CC1 920399173 NWYORNCYQGFKLO-UHFFFAOYSA-N 431.587 0.971 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1299317073 LCQFJJRWGNBBGH-UHFFFAOYSA-N 443.577 0.974 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1314874055 RYKLYIQBMYPCOY-MUUNZHRXSA-N 436.563 0.713 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1516229518 QBGJDCOLKXOLSG-DYESRHJHSA-N 426.477 0.806 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1587854590 YBRYPDRGIATSOD-BZNIZROVSA-N 432.424 0.895 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1611772521 XWQYLDZOWPDHGK-HUUCEWRRSA-N 441.579 0.745 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1612977288 CLZRAGDRFJIMFD-VVBPWWLESA-N 440.504 0.936 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1618502207 YPDOPLKIEGNKHA-FZKQIMNGSA-N 425.559 0.791 30 20 ICED N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)o1 1623707863 OAFIATBTUSYODJ-UHFFFAOYSA-N 431.474 0.530 30 20 ICED N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1665045505 XTTNXQQWHLGSOD-UHFFFAOYSA-N 440.469 0.747 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 1673756250 QNZMQCHSIKUMEZ-UHFFFAOYSA-N 449.533 0.933 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1696919698 PEBZOCOQFQBDDW-IBGZPJMESA-N 431.522 0.328 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1706022195 SSSOOQVCGOKQRN-SFHVURJKSA-N 445.549 0.813 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1747467120 FXSUSRBJSVMPLO-ZYSBOAIWSA-N 443.533 0.711 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749104574 XHVGTSOJVSJDJS-RYUDHWBXSA-N 446.327 0.730 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1751652964 PRDYGBXCQVIBQQ-FXAWDEMLSA-N 447.517 0.444 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C(N)=O)nc1 1763096184 QRROYPUSDDKNDW-UHFFFAOYSA-N 434.508 0.623 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1777714574 FMPQGMKGCZBVII-WZONZLPQSA-N 437.500 0.640 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778726039 UDLBTWFDUMIYNY-QHCPKHFHSA-N 441.484 0.883 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1778971671 NJOKHKJWFIXFTP-UMQOZUHOSA-N 445.516 0.855 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1779102054 ASCKRSKDNYDAKA-AFOQQOFXSA-N 439.509 0.933 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779103877 CPWCYNGJYZAZTD-SRGSOFGMSA-N 436.425 0.290 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779333844 ODDUZJXEZGZAJW-GSHUGGBRSA-N 446.504 0.875 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780199903 AZFZGVSGIPPLMW-NRFANRHFSA-N 425.445 0.535 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1780321507 WVAAOVSVWRYDEM-AOMKIAJQSA-N 429.473 0.740 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)cc1 1780409132 ZPTLFCBEGQJAMO-VGOFRKELSA-N 439.472 0.238 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1781268212 JEYBALJCSYBAKT-PGRDOPGGSA-N 430.505 0.291 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167515 SJSPFFLZAPWMBD-GLDPYIMESA-N 439.512 0.855 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1 1783565598 OJGWGYCBFFLUCS-QFIPXVFZSA-N 430.457 0.554 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)cc1 1783605513 SAEKNDMUHSVYCU-BZSNNMDCSA-N 437.504 0.414 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1783889263 HISLNVDCHANDDM-AUUYWEPGSA-N 426.560 0.781 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 1784964306 CGJJVTNPYFJINO-SQAAOVBZSA-N 445.560 0.796 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788600827 BSLJVAQTANXAKP-WBYXTZAVSA-N 433.469 0.383 30 20 ICED 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)CC1)C2 1792778867 ZDVMRXBUEKSJMI-GYFISPQKSA-N 440.500 0.059 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832095 NYAZJACPQHWFFM-RMYQPGKMSA-N 441.532 0.788 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1795599517 PGCCYRXDZUBPFH-JLVBRIDZSA-N 425.493 0.214 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300199 OXXLHYGMJGBUIA-ZMMAXQRCSA-N 437.537 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796325256 OJQHEHZCONGXSA-TVHIFVOSSA-N 438.528 0.149 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1797782798 VCECFUZVEHARBZ-XEMDLRDOSA-N 433.505 0.117 30 20 ICED NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)c1ccccc1 1797811157 JHPCCZYPCZPRCM-ACNUINNJSA-N 444.532 0.848 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1797812644 YHVPXIBFCNZKQR-XOMSMDBKSA-N 442.476 0.462 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1797837015 JOPACNNMUQLWDP-ARVYWVPRSA-N 429.502 0.870 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1799395363 OCYIPWIRSVIFKP-OKYOBFRVSA-N 435.569 0.157 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1noc(-c3ccccc3)n1)C2 1800778596 JMEIHSDPEGBZTE-VPTLXERWSA-N 438.440 0.347 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc(C)s1 1801487293 ZNPCECCWQAGULL-QSINVUPUSA-N 430.530 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)c(F)c1 1801498098 BBGYQRKFSBXOAU-HJZKZARXSA-N 445.491 0.825 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810357353 JAFCVMQTXRUDMM-NYHLHCKRSA-N 443.504 0.753 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]2c2cccnc2)c1 1814230760 RBBDFIODDOYDML-JXFKEZNVSA-N 436.472 0.950 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817247657 MHZBLTCQRDVZTJ-HUGYNIHPSA-N 449.512 0.524 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1820966289 GALWGSPUEGLVRD-XBFCOCLRSA-N 433.469 0.801 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988874 ZSKLIXAHWWZOEB-PEOWJQFNSA-N 426.495 0.593 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554519 ZDNIDMZCJBNECR-RYUDHWBXSA-N 431.474 0.668 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1829267702 ZCLMDTNDTQVKOB-JOCHJYFZSA-N 426.473 0.208 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830053057 FVYPAQCQPALYMY-HOIFWPIMSA-N 435.521 0.972 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339321 QWGWWJNNYQHKSF-JTSKRJEESA-N 432.473 0.266 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1831402097 NRNUHOPRJSBLDI-BEFAXECRSA-N 426.416 0.866 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831465631 HKXOVFOBJCVNET-QHCPKHFHSA-N 442.516 0.472 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831631100 YJHAMTUPQVVRPX-AOMKIAJQSA-N 431.489 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1832999477 QKNWALJWEDBTGL-WZONZLPQSA-N 445.516 0.518 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3nnc4ccccc43)CC2)CC1 1833652029 QVDVREPJAUVMMS-UHFFFAOYSA-N 438.488 0.091 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676339 VNBSHFPLEHZWPS-SFHVURJKSA-N 439.582 0.064 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)c1cccc(Cl)c1 1834765864 LKTPMPZMQRXJRQ-CTNGQTDRSA-N 448.907 0.887 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674628 AUADDKDBSPVDNG-QFIPXVFZSA-N 429.521 0.742 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835677464 JDNYDOZCHSYKPB-NRFANRHFSA-N 433.509 0.589 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5cncn5c4)CCO3)C2)c1 1837123865 WRXDSTYCZUDHRI-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837134419 IVWRVQXTHKQYHD-JOCHJYFZSA-N 440.456 0.441 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1837303323 QOXUSXRLNDGRCU-XLIONFOSSA-N 428.551 0.646 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)CCO2 1837439215 JTIFCRABOIZJRN-JTSKRJEESA-N 435.521 0.866 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447400 MTJYSKCFRKLETI-JECJHWOISA-N 449.596 0.646 30 20 ICED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131269 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C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1841598435 JGSDUBYVFVJNLC-ROUUACIJSA-N 447.557 0.904 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890607 AEDASTADFQNYRZ-AWEZNQCLSA-N 449.508 0.211 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844288844 XFZDJHMNFQWBOC-LJQANCHMSA-N 443.456 0.635 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194465 HPPWPHDPLJBWBD-VFNWGFHPSA-N 449.504 0.286 30 20 ICED N#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 60893533 XNTBEKWCJDICHE-UHFFFAOYSA-N 448.545 0.916 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCS1(=O)=O 427778701 GEOURFXHZCVXNW-UHFFFAOYSA-N 444.517 1.202 30 20 ICED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCS(=O)(=O)C1 437092894 FTGWXXNMBDSEBV-ZDUSSCGKSA-N 435.893 1.371 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 440365596 IJFIYAQASWZSQU-KRWDZBQOSA-N 434.518 0.719 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1C 442462908 ZRYLWUDNUXVXSK-UHFFFAOYSA-N 433.432 0.073 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 443031094 VDUKRZCZBGESQJ-SNVBAGLBSA-N 437.517 0.685 30 20 ICED C[C@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 443211080 KOHMWXSPCQODFH-GOSISDBHSA-N 446.514 0.599 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)on1 460606517 BXGMHCWPARHLJU-UHFFFAOYSA-N 434.460 1.027 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 467638903 TVKSXQSNEPWRTI-UHFFFAOYSA-N 435.488 0.741 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472330556 VESQKTLBKUZRES-UHFFFAOYSA-N 439.476 0.857 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 482224634 IZWIZWZCAFOMBE-QGZVFWFLSA-N 448.545 0.163 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 484377229 ZEXPRHQPNLKLEL-GOSISDBHSA-N 442.520 0.698 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 490125402 IPHVGMKKXJLGJE-HNNXBMFYSA-N 442.520 0.744 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2F)c1=O 502058226 PCXDLAHHFCQYLT-UHFFFAOYSA-N 439.472 0.133 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 504434293 MPUUSUWKOMDPJE-LJQANCHMSA-N 426.521 0.905 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C1CCCC1 509267510 BLLVBJNXVZZFCA-VYDXJSESSA-N 448.615 0.682 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 512363972 XRQAXUPRKNNLRJ-MSOLQXFVSA-N 431.518 0.728 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C#N 516555315 XXYHEIAYDYTRJF-UHFFFAOYSA-N 432.506 0.707 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 518992464 ZXPXJVKLZOXNIA-PMACEKPBSA-N 428.533 0.788 30 20 ICED C=CCc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533352532 HAWZAPKTCHBDFF-KRWDZBQOSA-N 449.529 0.853 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)nc1 542282964 YJAIHAJQPFEBHO-UHFFFAOYSA-N 425.449 0.851 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549644784 WDTJKZKBFJRTNU-KRWDZBQOSA-N 437.504 0.870 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 555575430 YTTJQMLXSGHLQM-UHFFFAOYSA-N 435.531 0.714 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN(C)Cc3ccccc3)CC2)c1C#N 555757670 PKZFLRDPUJNZIB-UHFFFAOYSA-N 437.548 0.887 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2CCCOC)c1=O 559152860 RLQMBYZKRGNONC-UHFFFAOYSA-N 447.586 0.241 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 560052421 JRACNNJOBBDSOE-UHFFFAOYSA-N 436.472 0.755 30 20 ICED C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCN1CCCCC1 568058283 MTZSZNPQEMSSJV-MRXNPFEDSA-N 435.550 0.599 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 569371266 OESUFEWUTSYNFD-RTBURBONSA-N 430.553 0.592 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 574591064 DSVWTIHIBRQFQS-GOSISDBHSA-N 447.605 0.523 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2=O)n1 577149340 BPKZJCFDVOSGTR-AWEZNQCLSA-N 433.432 0.123 30 20 ICED CC[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1OCC(=O)N(C)C 585721212 YVGRSTQDJHEJAG-SFHVURJKSA-N 429.521 0.825 30 20 ICED CN(C)c1nc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cs1 588322802 QXLXVVKTUGQPHX-UHFFFAOYSA-N 429.506 0.911 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590907387 PURSZDBZAOYCAV-CQSZACIVSA-N 443.525 0.761 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603795501 XFTNNALAUZBOSP-UHFFFAOYSA-N 443.525 0.762 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609955271 QOQWHWDBPAFUJN-UKRRQHHQSA-N 431.518 0.730 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CC(N)=O 611078579 LAKMKEKYJAWUOO-UHFFFAOYSA-N 437.308 0.484 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1COCCN1C1CCCC1)[C@@H]1COCCN1C1CCCC1 684475058 QLJAVEYDUQXFDU-SZPZYZBQSA-N 446.592 0.509 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(CC)c2C)c1=O 728558788 RKDYRYXVINPZOX-UHFFFAOYSA-N 426.542 0.896 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@H]3C)n(CCOC)c2=O)cn1 732560925 CMDWQCHWQISGAV-CRAIPNDOSA-N 443.573 0.971 30 20 ICED COCCN(C(=O)COC(=O)c1ccc(C#N)nc1)c1c(O)nc(=O)n(CC(C)C)c1N 734599162 GPGRSXHOCVGQNT-UHFFFAOYSA-N 444.448 0.290 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1Cl 744114191 WHVUXEKAXHRPRG-UHFFFAOYSA-N 441.874 0.589 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C[C@@H]1CCCO1 744130836 PSLVMJURERAZEV-GJZGRUSLSA-N 443.522 0.368 30 20 ICED CC(C)C[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C 749627145 XOTDEFRSNYDLFV-GFCCVEGCSA-N 431.515 0.288 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CC1 754619709 YRTUCBAEUJTHIR-HTAPYJJXSA-N 439.472 0.888 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 761028474 JDCNKQZHGUCHGW-UHFFFAOYSA-N 430.284 0.677 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@@H]1CCOC1 762134433 QPAZTZURGSFTDE-HIFRSBDPSA-N 443.547 0.622 30 20 ICED C[C@H]1CC(=NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)NO1 765374704 BBWTZEQGCZFBJF-ZDUSSCGKSA-N 426.470 0.677 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(N)=O)cc1 767681916 TZJRHKNESTZERL-OLZOCXBDSA-N 444.469 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2nn(CC)c3ccccc23)c1=O 769885858 MRZLBBRGRIHDOH-OAHLLOKOSA-N 449.536 0.567 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@H]2CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 771898508 YYPIOFPFDPNLQB-NSHDSACASA-N 429.499 0.043 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cc(C#N)c[nH]2)cc1)S(C)(=O)=O 773310577 HMSAOOPOUDCMJI-UHFFFAOYSA-N 426.476 0.421 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)[C@H]1CCCO1 773565377 WPFVFVWQTUMBPJ-IAGOWNOFSA-N 437.518 0.901 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@@H]1CCCO1 773795687 WMABTPFCAQXXJY-QAPCUYQASA-N 437.518 0.961 30 20 ICED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775533031 LMHVCBYQELEULA-CQHJRZBDSA-N 426.495 0.935 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 780323857 DPLDSIGMEKYYGF-UHFFFAOYSA-N 431.474 0.912 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3c[nH]c(C#N)c3)CC2)c1 786903299 KWALDRPXUZBNMH-UHFFFAOYSA-N 444.469 0.779 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CCc1ccccc1 800683323 ZIIYQSYHLDMIIE-MRXNPFEDSA-N 449.554 0.999 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802723799 RDJZWYBRXLSKGC-UHFFFAOYSA-N 444.520 0.546 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)CC1 806877702 DQGATMMNAUOOPJ-UHFFFAOYSA-N 434.518 0.910 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 838214686 XPBCZMJMTKRKJU-GFCCVEGCSA-N 437.468 0.489 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 912531613 VVWXPJJTHBHYNY-UHFFFAOYSA-N 429.462 0.747 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NC3CC3)CC2)o1 917426427 LGIBWCBZMAIBKI-CQSZACIVSA-N 437.474 0.844 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1494235830 KKQBKOXNTJZPJH-QEEYODRMSA-N 431.518 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCN1C1CC1 1510218936 LUAZHMQWJHKVCM-USXIJHARSA-N 437.570 0.634 30 20 ICED COCC(COC)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1634108270 KLZLENIWZVUITN-WBVHZDCISA-N 425.530 0.734 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1711425730 XMUNYYALUBSAGP-GOSISDBHSA-N 438.485 0.857 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1729308474 IPHLTZJGHVFAFG-INIZCTEOSA-N 445.549 0.671 30 20 ICED COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1769248067 RBCOOGUIHMDWDT-ZIAGYGMSSA-N 425.449 0.984 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1770460961 NUBBRWHIQJKMOS-JXFKEZNVSA-N 447.517 0.156 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)CCO1 1770747336 PEFKHUZRLKNUIJ-SJORKVTESA-N 440.508 0.501 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1778080305 LNAWFSVJWUETKV-XFQAVAEZSA-N 436.509 0.348 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559659 INOADUXVYVJLIS-QFIPXVFZSA-N 428.537 0.945 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=C\C(=O)NC5CC5)C4)C3)c2c1 1778834785 SJMFTWMNHXRKLW-IYZQMXKPSA-N 448.483 0.713 30 20 ICED O=C(O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105268 JNVJEQFVYCOMQU-RZKWFVMWSA-N 429.495 0.163 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1779241785 ZYAYDNUFSBIRCK-HXUWFJFHSA-N 429.481 0.249 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058201 PZOJJVQCZRCFHV-YLJYHZDGSA-N 431.518 0.487 30 20 ICED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1782061709 LCXUDSAEUHGARA-WIYYLYMNSA-N 425.526 0.874 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1782633526 PYGNZSURGBJYFQ-UPMCQBDUSA-N 426.473 0.807 30 20 ICED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565374 SISVUOMOPNTWBV-PONJGIIJSA-N 449.504 0.407 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1785572489 LLXFDFMWHKGTHE-HTAPYJJXSA-N 445.520 0.630 30 20 ICED C[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1785743802 PQYVOSDIRWMBQS-ZMPRRUGASA-N 449.504 0.550 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512405 JCTSBSIFXKJWDH-OZZMQFRTSA-N 445.545 0.307 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247499 DTWYCEPQGVDVIF-ACRUOGEOSA-N 432.565 0.324 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)cc1 1789088054 KVMVJRUUAGUHDV-BZSNNMDCSA-N 448.483 0.283 30 20 ICED C#CC(=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 1790793531 NHOVZIXSTYVMEF-JUPXILGHSA-N 435.521 0.360 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCc3ccccc3)[C@H]2C1 1791145118 YXYWBKABFWYOMF-FKBYEOEOSA-N 444.528 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccnc1Cl)C2 1792484182 GNAFJLRLNAIKQT-YOEGPNAJSA-N 436.871 0.936 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1c(C)noc1C 1794136210 QICXLLVOOSUWMU-TXFQXBMRSA-N 430.505 0.672 30 20 ICED CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1 1794294829 SAOYSCGWQIHWCK-IZZQQSIFSA-N 428.537 0.633 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1796448323 NHIJVSYQMAQUQS-FAKDNFGVSA-N 429.502 0.758 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797583013 IEYNEIQDRJQTLQ-ZDUSMZPESA-N 449.891 0.346 30 20 ICED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/N3CCCCC3)cnn2c1 1797741842 CLWMGILIOQARJU-NRFPCQGCSA-N 439.520 0.713 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797818015 GVQPVPZEUQXSGD-NEDQEEEMSA-N 433.509 0.782 30 20 ICED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)no1 1797838731 SFSYALRAOIIENQ-FDEKDYOQSA-N 443.460 0.613 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566268 DEWIQOCNFXULHG-LJCCNALRSA-N 446.500 0.630 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1)C(F)(F)F 1800203327 ZRJNAEKPMSJHIA-AYDFFVQHSA-N 440.422 0.908 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1800547002 PDIIVNFRWVAJRL-YWVIFJGQSA-N 426.420 0.514 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)c1 1801021164 SQAGIKDJYVFECN-CCWDJLKJSA-N 433.486 0.588 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1803553272 OZSIBIHFTXKFBO-FRFSOERESA-N 440.422 0.804 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1803608413 SJCNLOMZZZPEMN-RLLQIKCJSA-N 438.594 0.328 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803641564 DZWRJSUNMLQVJJ-CMPPFHAOSA-N 427.461 0.054 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806641494 OIRPNIQAZKTOFL-ZWOKBUDYSA-N 428.489 0.875 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806808616 YSZRQQALJNBXMZ-VYVNFDRFSA-N 425.489 0.224 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807048682 QYIVGXJXQSCAMI-DWRORGKVSA-N 431.537 0.253 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]1c1cccnc1)C(=O)O 1808845916 QOSPXDKGBPMXLR-KLICCBINSA-N 433.509 0.951 30 20 ICED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815850747 URFDAFPMTHRGOI-VIFPVBQESA-N 434.503 0.824 30 20 ICED Cc1cc(C(=O)NCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)no1 1819468673 PRWYFMRZTDQGHK-AWEZNQCLSA-N 428.405 0.216 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)N(C)C)CC1 1823878295 WXYYDUUNSVSZFT-CNZFZVQHSA-N 433.553 0.736 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828912766 IZWNSVGKQWZYFI-NNFADHLQSA-N 434.585 0.671 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1830056435 YDFIKNDDKZTVRF-FQEVSTJZSA-N 444.517 0.893 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)C 1831095791 MNTCTVXLHDEYIX-GCJKJVERSA-N 445.520 0.507 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1831398377 AJNAPEYMJABQNV-GAJHUEQPSA-N 440.500 0.980 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833144129 DOMHVVHIFPWZEE-INIZCTEOSA-N 438.573 0.630 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833481272 VXGFWHAURPNLTO-QVKFZJNVSA-N 435.452 0.338 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833630176 YGWOFZOQJRSHHK-VFNWGFHPSA-N 437.468 0.890 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1834604366 VLYDGJGVKKWIJH-CXAGYDPISA-N 434.566 0.664 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834654255 NPTRTJBCZBCSEN-MRXNPFEDSA-N 425.599 0.758 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1834715562 AWNBFHIHDGVWRS-QGZVFWFLSA-N 446.596 0.366 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755517 FFYWERVYVFKVOB-WMZHIEFXSA-N 442.516 0.955 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835361516 NLJJILLGSMPMFY-CNEDASOKSA-N 430.461 0.517 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835440962 LMECNARMSDNWTK-QFIPXVFZSA-N 439.553 0.148 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc4ccccc34)CCO2)C1 1835977792 NOBUOQLKWIQZSK-SBUREZEXSA-N 441.484 0.865 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)cn4)CCO3)C2)c1 1836034129 MSEIAVALRODTBY-OAQYLSRUSA-N 427.436 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(CC)c3Cl)CCO2)C1 1836228495 UAPNBJAHMUIHKT-VBKZILBWSA-N 438.912 0.734 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441093 RAUASNTXUUFGPM-UQQIOGDDSA-N 430.509 0.327 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1837446365 KAIBJHUYXFHWCN-XYHCSTEASA-N 434.562 0.790 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525764 PEWGDKZYPGZACW-WYNQEVMMSA-N 441.525 0.379 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1837567517 PVMYWESVGAYMCJ-HBRDKIMXSA-N 448.505 0.065 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCC5)C3)C2)c1 1838737312 NZNOXSJDRNFVJC-JOCHJYFZSA-N 438.488 0.803 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742025 MLJUHQXCWAUODT-BTYIYWSLSA-N 426.477 0.723 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839225577 NKHYOPMZALOHOZ-IERDGZPVSA-N 444.492 0.600 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)o1 1839361782 DBLOQTINCRACHT-JOCHJYFZSA-N 439.472 0.757 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840162035 JPGWIYFCJDUUSF-XOBRGWDASA-N 431.518 0.860 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840162092 LUGKSTIMHYVRMV-JLTOFOAXSA-N 431.518 0.860 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840198581 GJLQCFXWPPGGBE-NPJMMCDESA-N 442.582 0.029 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285754 ZHKGMYSIEDDVBK-TYNDFWIWSA-N 439.843 0.803 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840617098 LYHADNSWFLAOGF-JOCHJYFZSA-N 438.521 0.911 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)c3)CCO2)C1 1840728720 UADJDRVCGCNGOJ-HXOBKFHXSA-N 443.500 0.753 30 20 ICED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1841005679 HJGIJIXLHGGINP-UHFFFAOYSA-N 432.484 0.948 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)n1cnnn1 1847941886 KTLSDFGBOCCHLA-WCVJEAGWSA-N 433.513 0.905 30 20 ICED Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCN(c4cccc(F)c4C#N)CC3)nc21 109027479 ZYBHCAOJZMMKNH-UHFFFAOYSA-N 425.424 0.242 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)C1=O 440261686 ZBWLEPMDVYQVTF-INIZCTEOSA-N 444.488 0.536 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H]1C(=O)OC 442114408 OYFCISPNQLENSF-DAXOMENPSA-N 437.474 0.178 30 20 ICED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 445916018 PDPLXUXCMDQYBW-HNNXBMFYSA-N 443.547 0.515 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1 446825429 JJIYFNZYQOEJPZ-HNNXBMFYSA-N 436.490 0.084 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447687751 VKXDCAIWICUNRN-CQSZACIVSA-N 441.513 0.707 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460559735 MSADFAKIPJACJX-CYBMUJFWSA-N 434.588 0.325 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3cccnc3N3CCN(C)CC3)CC2)c1C#N 472105423 DTGQLMDLYZLSRT-UHFFFAOYSA-N 437.552 0.779 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 479012491 BBUMCOUPXKENOH-WMZOPIPTSA-N 436.534 0.175 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 480785946 KVXOVWWABLINSX-ODXCJYRJSA-N 441.469 0.918 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480953816 ARNSGMPBAISMOZ-UHFFFAOYSA-N 430.511 0.663 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1Cc1ccon1 480966000 SDCMNTVYSWMWMJ-UHFFFAOYSA-N 440.481 0.220 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)nn1 487515370 KMWXMXKVTCOZME-DLBZAZTESA-N 437.460 0.694 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(Cl)c1 490468335 HPACPWANUJXFJI-ZDUSSCGKSA-N 428.898 0.755 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)CC2)c1C#N 501635617 GATHSUGYKPCNHO-SFHVURJKSA-N 427.553 0.630 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 515947864 HJHSLSQZBQTNKC-UHFFFAOYSA-N 447.499 0.172 30 20 ICED CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516109822 VAOCJTDJKRLTBV-QZTJIDSGSA-N 425.489 0.293 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 541415151 BSPLSWYVCLPNBV-UHFFFAOYSA-N 431.478 0.304 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CCO1 543826491 OMCGZMPBTCXEQG-HXUWFJFHSA-N 449.463 0.785 30 20 ICED COc1cc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 550151828 KDTFTOPNVBMCMD-UHFFFAOYSA-N 439.472 0.944 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 550333461 SPGWKVPPEDPWDI-HNNXBMFYSA-N 430.505 0.081 30 20 ICED Cn1cc(-c2nc([C@@H]3COCCN3CCS(=O)(=O)c3ccc(C#N)cn3)no2)cn1 554737701 JFGRFZUTOHQWIE-HNNXBMFYSA-N 429.462 0.584 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 561703205 KYFFRXRMLVOJLJ-LJQANCHMSA-N 440.500 0.968 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N=c2cc[nH]cc2I)cc1 562165737 PQJRPGBPCUNATC-UHFFFAOYSA-N 442.238 0.897 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 564735809 XJEQCSRKFCZWHE-HZPDHXFCSA-N 436.871 0.946 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 569166840 UWHHMEIRSGMFKA-UHFFFAOYSA-N 425.507 0.237 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 569510934 FWONAIQPAQBGRA-KRWDZBQOSA-N 429.440 0.995 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1 572651585 HTQAARUBGBGVMA-UHFFFAOYSA-N 428.442 0.927 30 20 ICED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1noc(Cc2ccccc2)n1 573359471 XAVZLQCZLGXPQP-CYBMUJFWSA-N 436.476 1.106 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)nc1 587659317 LAUPSTMELQQHHW-IBGZPJMESA-N 438.532 0.946 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cc(COC(C)(C)C)on3)CC2)c1C#N 588793279 VOAZYXOOFLWYQQ-UHFFFAOYSA-N 443.508 0.868 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1F 609220185 MFKJFMRPDGWSRP-UHFFFAOYSA-N 430.505 0.473 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 733149799 RCCRSTSVEAJNNI-UHFFFAOYSA-N 440.548 0.810 30 20 ICED C[C@@H](CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 742534639 JUYSMWQYVLUEDE-ZDUSSCGKSA-N 442.501 0.474 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 747844474 DSVIEAZSQZHYDQ-UHFFFAOYSA-N 433.534 0.792 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C1CC1 753356563 DHVQQXKOSGFWCA-UHFFFAOYSA-N 444.513 0.405 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2CC)c1=O 758050223 PGLZTPPSNWULRI-UHFFFAOYSA-N 432.461 0.874 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)c1 779478562 DVGXTFCYRCOCIL-MGPUTAFESA-N 429.498 0.759 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)c1cc[nH]n1 780802243 RGOYPWAEDXAUPN-AWEZNQCLSA-N 432.506 0.553 30 20 ICED CN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O 784811781 LXYXWFLQHBOVMY-ZDUSSCGKSA-N 435.366 0.699 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnc4C)nc3)CC2)c1C#N 788340512 VPIWWGICDJISFJ-UHFFFAOYSA-N 433.476 0.777 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 805091232 DCZSUTVSTMHANE-UHFFFAOYSA-N 429.502 0.840 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c1 810481008 LSYSVPFYPATCBJ-WBIOCVRHSA-N 434.518 0.810 30 20 ICED Cn1nnc2c1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 810530673 CELIYTDXDQTRPD-GHMZBOCLSA-N 426.389 0.947 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 838214690 XPBCZMJMTKRKJU-LBPRGKRZSA-N 437.468 0.489 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 917065235 LAIUEKOZEUQNPM-WOJBJXKFSA-N 447.557 0.733 30 20 ICED COC(=O)C1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 918816950 CSFWJAOCOYOOOE-UHFFFAOYSA-N 437.474 0.372 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318883452 DVHHOUFXEFGIBO-GOSISDBHSA-N 448.545 0.810 30 20 ICED COc1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c(NS(=O)(=O)C(F)F)c1 1475430549 PSAGXBKFLNCBIM-CQSZACIVSA-N 425.435 0.699 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1492744393 NPGLDTXULOVCJJ-HXUWFJFHSA-N 447.565 0.819 30 20 ICED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1513916709 IRSYBFWFBDWRJG-UHFFFAOYSA-N 445.549 0.373 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1519162867 VTLDAOSGKYDJAB-HXUWFJFHSA-N 428.497 0.358 30 20 ICED CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554602246 MGUQVAXLNLHJMO-RDJZCZTQSA-N 445.549 0.808 30 20 ICED N#Cc1cn(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(=O)nc1O 1565745000 VUMGFPKXPSHYNX-CQSZACIVSA-N 433.371 0.734 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 1641230249 VUDOJIQHEDZMHE-UHFFFAOYSA-N 439.856 0.441 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCCCC2 1723925833 KUHBEIZBDJPVPQ-AWEZNQCLSA-N 447.569 0.994 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728794714 LAAWOUSOQONZHN-DLBZAZTESA-N 430.506 0.311 30 20 ICED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745787052 COSIGXXEVMZJGM-KRWDZBQOSA-N 428.541 0.493 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770747723 JJYDLTHLCSDFGS-IAGOWNOFSA-N 441.467 0.456 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777702633 HPQLYDROIZXYTL-QRQCRPRQSA-N 426.473 0.537 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1779474128 VBCYJFVMUKKBPA-XGNBGGDFSA-N 435.550 0.427 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CC1 1780156348 KMIHLWMRAAHWRL-JOCHJYFZSA-N 427.457 0.583 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780195063 MLVWUCLBKWAKHY-LHSJRXKWSA-N 447.444 0.791 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)ccc1F 1780755541 JZATXYFFJALEQA-XMSQKQJNSA-N 441.463 0.630 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1781308426 NIUQGXQQGDMATI-XZOQPEGZSA-N 447.532 0.914 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc([N+](=O)[O-])c1OC 1782119701 KXZQUSVMWNABDQ-FQEVSTJZSA-N 447.400 0.144 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198398 QKPMVXPZZLYXNW-HXUWFJFHSA-N 426.433 0.234 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782960447 SPWFIUQCNXSPKI-LAUBAEHRSA-N 438.546 0.092 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nc(O)c3)C[C@@H]21 1783530973 AEIFIQUSGJOJTK-GFXHUTCISA-N 428.489 0.547 30 20 ICED C#CC(=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 1783583966 UQFVGVCFAWCDSN-MPBFYENKSA-N 433.505 0.208 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)ccc1F 1784343076 VWYNRCZPEPWYDT-NRFANRHFSA-N 426.452 0.752 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1785421316 OLVHKNKGLDCJCE-VGSWGCGISA-N 435.521 0.866 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1792120686 ZTQCGRRQRZOHSH-OWSLCNJRSA-N 437.537 0.919 30 20 ICED 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)C#N 1792707331 HKOCZHLXRFCXLE-XGUBFFRZSA-N 435.525 0.943 30 20 ICED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c1 1792939408 NRYWHFADUXKEKE-SRYPRDQNSA-N 426.517 0.780 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2 1793535095 HBWDWDTZGOBDEL-OWLYRPNTSA-N 448.545 0.903 30 20 ICED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccnc1 1795681896 FPYARRHARORNPZ-SBEZBGNBSA-N 445.520 0.590 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010266 FNDPMDWYYHWRIM-PHJQXLAESA-N 436.425 0.050 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cc(C)on1 1798504981 IFFKWQANZQDQIG-OXOVRFNWSA-N 429.477 0.209 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CCOC1 1801990889 XCEQFZOWWOCUKX-VWEBPMOJSA-N 435.477 0.396 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]1c1cccnc1 1802489796 MMFUVPLMKGHJQT-FJFGOKCXSA-N 427.505 0.470 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806614117 XRKCZBVISUZIID-CNNODRBYSA-N 445.479 0.737 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808210039 GHQVDWLTGYXGKJ-QOKNQOGYSA-N 427.486 0.202 30 20 ICED NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1812631381 DUSVBTIFBVCERU-NENAZPNRSA-N 431.493 0.882 30 20 ICED O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)CN1 1812639133 GSBISGNNZSTWAM-XQBPLPMBSA-N 438.528 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1 1814439321 GVKSJMCFERZRKE-AISUJJHZSA-N 449.533 0.837 30 20 ICED CN1N=C(C(=O)N[C@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)CCC1=O 1814972696 KHVWDXKPGMRREM-LBPRGKRZSA-N 445.549 0.945 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1815062364 JUFYOKQSMOOFDO-ZIAGYGMSSA-N 447.561 0.347 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821604244 SDIWBHIIXHIAAQ-WFASDCNBSA-N 430.490 0.720 30 20 ICED Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn2[nH]cnc(=O)c12 1825666423 AKPXZNXLILEMHZ-JTQLQIEISA-N 440.441 0.101 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=N)N)CC2 1828029616 IDBNANXHUQUINQ-GFCCVEGCSA-N 427.490 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccco3)C2)C1 1829773437 JOCVNQFDNNRMFS-AWWPTUBISA-N 445.516 0.773 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831218390 QSEFOHFDKDQNCN-HSZRJFAPSA-N 435.484 0.955 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831490817 MCMMXNNXCQIBAE-FXAWDEMLSA-N 433.534 0.754 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832811792 YIPBKMQXCRJBKC-HSZRJFAPSA-N 444.532 0.497 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833450370 FDMQNHDGEQUXLI-VGSWGCGISA-N 432.521 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1833465590 KGHZTGDVPMDLOO-AWEZNQCLSA-N 429.464 0.706 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833873536 QFKJRFBPLHAUBR-VGOFRKELSA-N 433.505 0.028 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3ccccc3C(=O)OCCO)CC2)CC1 1834400133 KZXNXVCDXVBWIZ-UHFFFAOYSA-N 442.516 0.935 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cn1 1834530532 FYTZMEXGDWBGSL-QRWLVFNGSA-N 435.481 0.356 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1834761241 URPGGWRNEHSGHC-NZQKXSOJSA-N 442.516 0.257 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cc(O)n[nH]1 1834770193 DPQWXBNTHSKJDK-YRXLECQKSA-N 448.524 0.830 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)nc2s1 1835338762 RRJZVOJTGZOLOU-FQEVSTJZSA-N 444.517 0.402 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835732687 WSZDTMWSHLVOSY-WLXKGNRNSA-N 446.596 0.556 30 20 ICED COC(OC)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765974 SEXGZSLZVWQWKJ-OMNSNBSWSA-N 440.541 0.706 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1836305362 CCFSKXCTVNVGHH-NRFANRHFSA-N 440.460 0.134 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)c1 1837076712 LRSWKBXRQWKBJG-UHFFFAOYSA-N 442.476 0.050 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837286644 GYGSKLXKMIVLRP-KGYLXKDPSA-N 449.548 0.292 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837399081 NCLJDZREUINKLL-VZCLOHQVSA-N 436.553 0.488 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524997 RFEDOLSXTNUFJF-ROZQTZPBSA-N 446.504 0.989 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1839451206 GCVVBPDSAAABQY-QFIPXVFZSA-N 437.456 0.746 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nc2nccn12 1839547514 RWZKSASNSCDPJZ-OAQYLSRUSA-N 426.477 0.658 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1839898028 ANZNTBOCZXBRQN-DNVCBOLYSA-N 425.482 0.197 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840161944 GSINJVMSAXDDHK-JLTOFOAXSA-N 431.518 0.860 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840840502 VIYCOQMHESTCBC-VGOFRKELSA-N 435.521 0.866 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 28723506 KDCKSJWFSIJMDA-HXUWFJFHSA-N 436.534 0.819 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32717232 ZOEBGCFZQHBJKE-KRWDZBQOSA-N 443.529 0.989 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)[C@H](C)C1 410150231 ZIFLOMQTHTTZKR-GVDBMIGSSA-N 448.615 0.445 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 437737842 QKULEZVQNAQSEZ-HNNXBMFYSA-N 444.513 0.709 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)n2)cc1 439363133 YOAHTLOOSLXMDM-IBGZPJMESA-N 437.504 0.850 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)n2)c(F)c1 441200307 CHMPSKSYRRYLOO-UHFFFAOYSA-N 433.447 1.561 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 442318190 BBTDSZHLVJGWMS-MWDXBVQZSA-N 443.456 0.493 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 447195317 WLSAHOHNZSOTPX-NVXWUHKLSA-N 425.507 0.283 30 20 ICED CCCCNC(=O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460574220 NTHZENFWZMYFFZ-UHFFFAOYSA-N 437.504 1.541 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1nnnn1-c1ccccc1 460615373 RWNSIGKTHNXOOR-ZDUSSCGKSA-N 428.416 0.931 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 460741079 ZQMWCMJRELQVNK-MRXNPFEDSA-N 443.489 0.104 30 20 ICED Cc1nsc(N2CCN(C(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)CC2)c1C#N 461189941 GDYGBAFEEHNOKR-UHFFFAOYSA-N 439.501 0.540 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463089084 CHMKGVRCHHUIOJ-HNBVOPMISA-N 426.448 0.898 30 20 ICED CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 478179718 IXRPPPOVCLOPRI-JKSUJKDBSA-N 426.433 0.647 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 480523668 GNKJGWFEABVQGV-HOCLYGCPSA-N 442.563 0.545 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F 489491215 CBSPSNGZPRERFO-UHFFFAOYSA-N 431.511 0.949 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 500324007 ARWIMVMYCRKINT-CYBMUJFWSA-N 426.351 0.796 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 506734016 UARJEHUCWLXKMI-CJNGLKHVSA-N 437.522 0.767 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@H](C(N)=O)C1 508818971 VPDBQOCESFHDOD-SFHVURJKSA-N 439.520 0.113 30 20 ICED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)O1 513564984 CJFXBMSIBMMVCT-MLGOLLRUSA-N 428.424 0.574 30 20 ICED CN(C)CCOCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 515246504 WGORMHDMQYLROA-UHFFFAOYSA-N 430.465 0.149 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1=O 519106989 KWBDHBBBBQUVGE-UHFFFAOYSA-N 427.461 0.359 30 20 ICED C[C@@]1(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)NC(=O)NC1=O 537254041 JEROORHXSJYACV-IERDGZPVSA-N 444.561 0.767 30 20 ICED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 538600810 IPNXBHWBZXMSHQ-UHFFFAOYSA-N 437.518 0.667 30 20 ICED CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 550473187 IUVSHPBGDYJFER-UHFFFAOYSA-N 436.516 0.859 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3nnc4n3CCCCC4)CC2)c1C#N 564218182 SKRKAGMICVWZDF-OAHLLOKOSA-N 439.524 0.444 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccn2ncc(C#N)c12 589117157 XVHQZBBDZLUBGE-UHFFFAOYSA-N 444.473 0.676 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 589317745 ISCOILQMDXJKTC-UHFFFAOYSA-N 428.470 0.948 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 610598832 LRHWUYSBPXXCCM-KUHUBIRLSA-N 433.490 0.329 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222735 XLYPIPVSZQQKCX-UHFFFAOYSA-N 426.420 0.609 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 612231292 FIAZJDBUUNGOIC-SPLOXXLWSA-N 443.460 0.359 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 616804101 HHCMQINTKVEIFP-UHFFFAOYSA-N 434.518 0.512 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 728534836 WFDGINMOYUFPQN-UHFFFAOYSA-N 446.573 0.677 30 20 ICED N#CCCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 729250034 DYWUPLPXGZRCJO-OAHLLOKOSA-N 446.485 0.870 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 731126984 YBFLDBUFBYRPLW-UHFFFAOYSA-N 425.445 0.716 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 746187242 IXFSUZBGLVOZKL-UHFFFAOYSA-N 435.502 0.130 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 746294615 OYPJRRAIZWGNHB-VHEBQXMUSA-N 427.417 0.796 30 20 ICED CC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 747993455 KBEWGNCMDPDRQI-PTGBLXJZSA-N 449.533 0.565 30 20 ICED CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCOC2)C1=O 751683719 KDPDYFZGDBQXQT-DLBZAZTESA-N 447.561 0.964 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 755552304 ZSTAUFJQVVGTSJ-SWLSCSKDSA-N 431.449 0.364 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C2CC2)c1=O 755660319 AHMLCMKJMWQTHD-UHFFFAOYSA-N 443.573 0.759 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCOCC 755674550 WDTBNPKEBYOGAC-UHFFFAOYSA-N 445.589 0.834 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2OCC)sc(=Cc2cnn(C)c2)c1=O 758079907 VPRZSNQNIAEZPE-UHFFFAOYSA-N 433.493 0.817 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758082240 CUEOYWJEDBVQLO-UHFFFAOYSA-N 441.509 0.216 30 20 ICED Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1Cl 769888323 UUIZHCRUEOTRPN-UHFFFAOYSA-N 429.911 0.640 30 20 ICED Cn1cc(S(=O)(=O)NN=C/C(Br)=C/c2ccccc2)c(=O)n(C)c1=O 771896775 IMQXVZGQSWPOFZ-DZQWHFOVSA-N 427.280 0.784 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCCS1(=O)=O 773100218 MQNHUJITWZRJTG-OAHLLOKOSA-N 443.547 0.719 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 775959640 CFCNXGRGOIYQFU-OAQYLSRUSA-N 425.508 0.996 30 20 ICED Cc1nc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 784729920 HRLRJXYDJFSJHH-LFVJCYFKSA-N 433.494 0.223 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NCc1cccc(C#N)c1 789118665 OHJYKUDHPOXEKL-HXUWFJFHSA-N 428.445 0.333 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798744900 WHACEXNCZWQPNV-STQMWFEESA-N 434.478 0.968 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 804762256 HDCHGNNPJASEOF-OAHLLOKOSA-N 449.508 0.117 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 810480487 CPBUJMKJQZQXHD-WBIOCVRHSA-N 434.518 0.810 30 20 ICED CCOc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1OCC 813980277 YTHHCDJTXLQVNA-UHFFFAOYSA-N 432.458 0.986 30 20 ICED C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 915340140 BPQAHDJTTVJZJE-UHFFFAOYSA-N 448.526 0.854 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915445107 VUEUCLCYKMSMKR-CYBMUJFWSA-N 440.474 0.538 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917019692 DKDDJCUSZNVZJT-DFXHGPDCSA-N 434.452 0.843 30 20 ICED COc1cc(C(=O)NCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC(F)F 1116534666 URLMQGZWFUBQDT-VLGSPTGOSA-N 438.387 0.669 30 20 ICED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1142864962 NXFQCAAHJRVJEI-KUHUBIRLSA-N 426.498 0.925 30 20 ICED CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1305308844 AUCMSPFDAWRWTF-FQEVSTJZSA-N 448.549 0.971 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1315748758 OOMYIAICZOJVBI-UHFFFAOYSA-N 432.506 0.156 30 20 ICED N#Cc1cc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)ccc1N1CCC(O)CC1 1318790715 LMZVHIAMSDNOMC-DOTOQJQBSA-N 446.529 0.493 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1340961723 QVQSVDGCAAHCJU-LBPRGKRZSA-N 442.494 0.347 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1619567935 QNXKNIYSJVRMEN-CABCVRRESA-N 428.559 0.879 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1740739440 SQSKRXQDNWBRNQ-NWDGAFQWSA-N 449.375 0.889 30 20 ICED CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)c1=O 1746361229 XLASFHMMNYUDDN-KRWDZBQOSA-N 448.549 0.777 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760306967 LYTAZHJVRNLXIK-RYUDHWBXSA-N 447.359 0.656 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1760695745 MXORVWILRWWGSI-TXTZVMOISA-N 444.583 0.118 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104928 POHAPNIXJGFHNN-ITJVBBFDSA-N 445.520 0.310 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779284209 OVNFYDFWBKIKAZ-JLCFBVMHSA-N 436.472 0.569 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1779365543 JAALJIRAZSJTLY-VIZZCSTHSA-N 430.509 0.781 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1780599987 JQMMIFYOBXOLKF-NRFANRHFSA-N 433.428 0.047 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(C#N)c1 1781171038 ICBSVVPRCAAOCM-OYHNWAKOSA-N 428.489 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783743136 CBBTZMMEIQWCGW-YLNCNTMDSA-N 437.500 0.725 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c1 1784276735 RPCDOIPISAYOGE-UFYCRDLUSA-N 440.500 0.923 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1)C(F)(F)F 1784373101 ABAUZXIUBBMFDI-QAPCUYQASA-N 443.426 0.405 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1784383216 YHVSJVAVPQPZHZ-ZJOUEHCJSA-N 438.528 0.925 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 1785036063 HLJSUYVACJVLEK-RNEDXHKXSA-N 428.485 0.844 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603934 BDVDEPDREGVLQN-LTADTEAASA-N 434.537 0.947 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637008 DYACHDORAPIJQC-BURNTYAHSA-N 447.576 0.970 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1792172262 OJTWQCXYSWBKBT-WDSOQIARSA-N 433.530 0.633 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793358739 PRJOZSMHKVMJFQ-LJCCNALRSA-N 446.500 0.630 30 20 ICED C#CCO[C@H](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 1793569613 CNYOEXIVDPWTMB-ZBLLQYKHSA-N 449.548 0.891 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1COc2ccccc2O1 1793840240 GPJJQQKDGRLVPV-IRYORZRNSA-N 442.516 0.888 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c1 1794321200 NXDBJRWGFJARJJ-JLVBRIDZSA-N 443.485 0.202 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C3)c(O)n1 1794488964 ZBLZWOCDLZXARO-BKEDOTJMSA-N 430.505 0.621 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)n1cccc1C=O 1795598603 MAFHOQIROBYGED-VXIBKDFQSA-N 429.521 0.733 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)NCC(C)C)c(O)n1 1796463211 DMHJWFFWYKAZTB-HGKCTWBKSA-N 444.532 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cc(C)cnc12 1797420303 RYCUCZYOEGTXGD-MVJTYMMSSA-N 427.505 0.814 30 20 ICED CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1 1797815033 HGFKTTCOCSZFIJ-KIYQGWNUSA-N 448.524 0.765 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1799232241 WUZYSGDLGSZISR-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238024 VAFWDTJYPRWRQU-BAYUQKDNSA-N 442.516 0.614 30 20 ICED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710206 CYRKOIHCSIHUNV-FIUQPQMISA-N 449.305 0.658 30 20 ICED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799750725 LSKBYISLOYYOOM-ZSBFGKGUSA-N 433.896 0.686 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(=O)oc3)C4)c2c1 1799883630 SNWVGYXSWGCPLD-CCWDJLKJSA-N 433.424 0.905 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)C1 1800982252 ZXBWFWSOYWWSAP-AMVTXUCVSA-N 447.557 0.675 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801049518 APNBHDVHVJPLHL-ZQYRFBGISA-N 449.548 0.751 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nn[nH]c2C(F)(F)F)[C@H]1c1cccnc1 1812878496 WZYITUIZVANGNS-ABAIWWIYSA-N 436.350 0.626 30 20 ICED Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1814200988 BDXWOIRKGREITN-AUSIDOKSSA-N 448.479 0.914 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c1 1815063786 JEUANTPIDULMKA-KGLIPLIRSA-N 426.502 0.833 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccc(F)cn3n1)CC2 1825671868 RTRRFSZGRJLHJX-JTQLQIEISA-N 428.405 0.639 30 20 ICED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826313374 UEHUWMLSZPNDBU-ZDUSSCGKSA-N 432.502 0.963 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831187252 IETGDNWRFVATQY-SBUREZEXSA-N 442.516 0.737 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831203111 ZETUUVBAKMSARI-UWJYYQICSA-N 440.541 0.550 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831409513 RAHFFMPJGSMVKI-RHVSLNNASA-N 435.521 0.260 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831686994 GTWJHAAJQCPRPA-HRAATJIYSA-N 425.526 0.196 30 20 ICED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1833236317 KRUOOLUUNOZBGR-UHFFFAOYSA-N 439.564 0.546 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1833473474 GZAMRZSFBFNYDE-FQEVSTJZSA-N 449.640 0.787 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@](C)(O)C(F)(F)F)CC2)CC1 1833638933 LEFBYSYJZWOCFL-LIRRHRJNSA-N 433.471 0.910 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833674517 IATIOIBKLJBLNG-LIRRHRJNSA-N 425.461 0.728 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835291164 GXRFLVBAWYHBKZ-REWPJTCUSA-N 446.500 0.686 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836129886 DFXLQSBMVUFKAR-IBGZPJMESA-N 441.431 0.677 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1836884681 OAXBAYSTWSRBHH-FQEVSTJZSA-N 437.562 0.864 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837286520 FYSNSSDKYBIGRU-FHRFECMSSA-N 436.553 0.584 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837528414 JMGPEISIIHRKHZ-ROZQTZPBSA-N 446.504 0.989 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567469 MIPSATCCDKQEID-ORNUESFESA-N 427.461 0.591 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837672542 NFRQKARMXYUAIE-YADARESESA-N 441.528 0.799 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790327 RAXNDLGWYQDLLJ-LJQANCHMSA-N 449.504 0.784 30 20 ICED CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1838783682 JHEMQODDMRGDLN-JOCHJYFZSA-N 446.552 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839174311 RSGKLZRZCLCBDW-QFIPXVFZSA-N 448.520 0.466 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1839228444 DOQDEODGPBUNJX-JLHGSKIFSA-N 447.536 0.772 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1839451280 KHEKTZSDZVEAGI-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839956303 MCLGERQNASHIGG-XQFWAAQXSA-N 430.501 0.085 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840144389 ZAPLRMADUFXJJS-YZZKKUAISA-N 445.516 0.892 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840174119 JGWIMZQOANNOBG-FQEVSTJZSA-N 433.417 0.970 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1840322477 HAKMVZVZOMAZET-OPAMFIHVSA-N 444.488 0.740 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609641 FBPXKFNTWXQYPP-SGAADRECSA-N 441.484 0.286 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1840716610 OQWPOAPENZKKTN-HXOBKFHXSA-N 426.517 0.945 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840798665 AHKZGUJZEAXGSI-JOCHJYFZSA-N 428.489 0.567 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812130 ANCJWVXLQYIOFI-GSHUGGBRSA-N 433.505 0.726 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1840813699 PTRZJRVZHNULBI-NRFANRHFSA-N 445.476 0.462 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818999 JMBOHEMGZMCMRB-JOCHJYFZSA-N 439.472 0.441 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1843131473 KSUSKTNQUQXWLE-KRWDZBQOSA-N 437.500 0.735 30 20 ICED N#Cc1c(NC(=O)CCN2CCN(C(=O)CN3CCOCC3)CC2)sc2c1CCC2 22277956 KRETZADSFHHXCG-UHFFFAOYSA-N 431.562 0.913 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccccc2Cn2cccn2)c1=O 26640427 FNHBOWAUNCYVGV-UHFFFAOYSA-N 436.472 0.105 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(CC)CCC#N)C1 409476567 STLJDASDKWWLHG-INIZCTEOSA-N 434.588 0.249 30 20 ICED C[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 429531684 BVNNXSPNXCDJJQ-HNNXBMFYSA-N 447.517 0.964 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2occc2C)c1=O 440380424 FYRWAEWHFPHPGW-UHFFFAOYSA-N 430.530 0.173 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 443551549 LXKOVVGPKVFUGW-UHFFFAOYSA-N 435.600 0.085 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 460614270 UTRXSJACCIKMQX-UHFFFAOYSA-N 449.446 1.461 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)C(=O)[C@@H]1C 460774807 YQTXLSZVFGCFHB-GJZGRUSLSA-N 426.543 0.244 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1C 467546647 BITKSWCQPLBKOG-ZDUSSCGKSA-N 429.498 0.416 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 469523216 FRUPITFFXFGITE-SFHVURJKSA-N 435.550 0.057 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 471315705 SJQZLQODCMLMPI-RTBURBONSA-N 448.545 0.016 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 480499313 OUZZFROPTXEINJ-GFCCVEGCSA-N 449.514 0.430 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 484911449 PVTOGQJAGAYSBH-CYBMUJFWSA-N 439.490 0.954 30 20 ICED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 499980296 FVWKKZKJLRPING-UHFFFAOYSA-N 445.457 0.261 30 20 ICED COC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCS(=O)(=O)CC1 501493128 ZKNGSNKRHDMLJG-UHFFFAOYSA-N 440.421 0.976 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503852427 CDCKMSMSFXDCCR-SFHVURJKSA-N 448.526 0.940 30 20 ICED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 506712071 AEVNMQBNMOVPTO-CYBMUJFWSA-N 448.480 0.704 30 20 ICED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(OC)c1 511360204 NXUJVZJQZKYWCA-UHFFFAOYSA-N 428.496 0.289 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2=O)cn1 513285335 XWIUAHHBEUXRAM-UHFFFAOYSA-N 436.407 0.430 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C 517149944 XYJPWIZUAPYYIG-GOSISDBHSA-N 433.553 0.688 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527279827 BXQHVNCJCZVUPR-AWEZNQCLSA-N 443.550 0.616 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1-n1cnnn1 531802439 BKONPZVLGCITAS-AWEZNQCLSA-N 432.448 0.308 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 535645980 AWYGHOGRXCDSCA-MRXNPFEDSA-N 430.490 0.449 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 537252294 LVAVPAXCUYBVFL-CVEARBPZSA-N 425.580 0.471 30 20 ICED N#Cc1ccccc1OCC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 538596394 QEMRFYVRRYMCNN-UHFFFAOYSA-N 429.454 0.898 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542998215 GSUOONOHGALPJX-UHFFFAOYSA-N 434.453 0.315 30 20 ICED CN(CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579032156 WTJFCXKEQBIJLY-LEWJYISDSA-N 437.544 0.966 30 20 ICED CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 586809679 JOKCVZSGVWEWEK-UHFFFAOYSA-N 428.493 0.493 30 20 ICED CN1CCN(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2)CC1 603911438 LWSNUCDCGZRURP-UHFFFAOYSA-N 428.518 0.964 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 608868077 UVBNMEFOZBVNKU-UHFFFAOYSA-N 444.469 0.952 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1CC(N)=O 608912213 PEDDBKBAMRSEEK-UHFFFAOYSA-N 436.493 0.509 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 610598833 LRHWUYSBPXXCCM-LIRRHRJNSA-N 433.490 0.329 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccnn2C)c1=O 618433445 AMBVXHIQHAEOPE-UHFFFAOYSA-N 439.472 0.257 30 20 ICED CC1(C)NC(=O)N(CCOC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 733832990 UHUWBWIMFSVRFU-CQSZACIVSA-N 427.417 0.637 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 735837276 QZPUXIPWLWPPSW-FNJUQIQDSA-N 431.537 0.552 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(F)cc1F 743725227 JKSWDECYOSMNDH-UHFFFAOYSA-N 445.451 0.269 30 20 ICED COC(=O)CN(CCN1CCOCC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 746379788 JTSNQYGGMHQNIR-OAQYLSRUSA-N 429.477 0.090 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2CCCCO2)CC1 756511724 SXHSGMGBIQXPPX-QGZVFWFLSA-N 435.502 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn(CCOC)c2)c1=O 758065298 CXWXOXOHHBUTFT-UHFFFAOYSA-N 448.504 0.780 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(CC)s2)c1=O 758069555 ZOZIMYPDBGUOBA-UHFFFAOYSA-N 430.580 0.640 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc2ccccc2n1C(F)F 771897488 NZAJZPOBEJNYBK-UHFFFAOYSA-N 426.405 0.531 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1)c1cc[nH]n1 772125468 SRCCNYICELKIDP-AWEZNQCLSA-N 428.449 0.966 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1)c1cc[nH]n1 772541072 LUJFHMXDBONRLU-UHFFFAOYSA-N 437.478 0.260 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@H]1CCCO1 773795730 WVGPXEDIBFEWDT-UYAOXDASSA-N 438.484 0.736 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782909557 YAVAVCJHCSKADB-CVEARBPZSA-N 438.477 0.971 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 783011283 NBIPFPNFBCDOLX-UHFFFAOYSA-N 429.564 0.920 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)c1 783464173 MLGQBERCTFYIRA-UHFFFAOYSA-N 431.246 0.823 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC2)o1 786770305 NYUUOSXTHVGLGI-AWEZNQCLSA-N 445.398 0.750 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@@H](N4CCCS4(=O)=O)C3)C2=O)cc1 788389982 YFEQBRRDRPXVHB-GOSISDBHSA-N 431.518 0.780 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)n1 789794809 NMUWODFVFXHSDH-UHFFFAOYSA-N 443.529 0.704 30 20 ICED C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 790117632 BKLFUNOMRYIVEY-HNNXBMFYSA-N 429.502 0.565 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)n1cnc(C#N)n1 798833795 PHYGTYUKEWGHMF-SSDOTTSWSA-N 429.212 0.887 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4cc(F)ccc4S3(=O)=O)CC2)o1 799907564 NITVIRVWHMNNBN-UHFFFAOYSA-N 433.421 0.487 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc(C(N)=O)nn1 805942545 NUJSJDHBTKRGED-CYBMUJFWSA-N 434.478 0.074 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101914 VSULADTWLOBAKA-KBPBESRZSA-N 441.472 0.762 30 20 ICED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 856693742 JVYPKCDBJYEKAV-DZGCQCFKSA-N 436.490 0.148 30 20 ICED CN(CCCC(=O)O)S(=O)(=O)c1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 884316200 MARHXYPOSJBQTC-DHZHZOJOSA-N 449.485 0.465 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 914849973 FFQGOUOHDBJKCX-UHFFFAOYSA-N 428.474 0.570 30 20 ICED O=C(COC(=O)CN1CCS(=O)(=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 919137117 MEYWJSDLIVKFHI-UHFFFAOYSA-N 432.420 0.447 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1116054278 MFEZWCFHUBCHDW-ZBFHGGJFSA-N 435.550 0.206 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 1138108265 LIVSFBQWGQYMQH-WFASDCNBSA-N 426.470 0.979 30 20 ICED COc1ncc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1311197060 LMQRQEYVLYXFKM-UHFFFAOYSA-N 436.416 0.944 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2=O)cc1 1339189561 GUXHQJZSSPXASQ-HNNXBMFYSA-N 438.465 0.702 30 20 ICED N#C[C@@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1341887399 ZGBXQHCKHFOTIV-IBGZPJMESA-N 445.541 0.824 30 20 ICED C[C@@]1(CO)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]1(C)CO 1454690950 KXKOEQCELOWIIZ-OYRHEFFESA-N 435.546 0.798 30 20 ICED CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555151072 SJSSAMCJRPEOTA-YLJYHZDGSA-N 431.518 0.982 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCN2CCCS2(=O)=O)cc1 1555991408 SOVSHYQYYBTHAS-UHFFFAOYSA-N 432.506 0.601 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@]2(O)CCOC2)cc1 1620351510 AGNYKAVHTDBDED-QFIPXVFZSA-N 440.504 0.972 30 20 ICED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)C)C1 1628816935 RWYHMXDJGJVBME-MJGOQNOKSA-N 449.577 0.530 30 20 ICED CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1741560470 MCFBCSQUTSYBQO-UHFFFAOYSA-N 445.549 0.671 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746462104 VETBBVIGAFEDOL-HKUYNNGSSA-N 427.557 0.681 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1747194696 MAXDCJCFGAMAJI-AEFFLSMTSA-N 431.541 0.486 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)c(OC)c1 1748669971 OWYXFBKQYAKDNG-HRAATJIYSA-N 428.493 0.758 30 20 ICED CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750526722 SFFUZWULJQZXSJ-JKSUJKDBSA-N 438.554 0.020 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1766697881 TVHDOSAQBZUOBF-HNNXBMFYSA-N 425.559 0.924 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1767421313 OOKMIBMNTRUPLX-UHFFFAOYSA-N 437.547 0.875 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCOC2)c1 1771343681 HGCDBFXNFYKMSY-RTBURBONSA-N 435.481 0.942 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1779263153 BEHPFDFBVZQVKU-VGOFRKELSA-N 429.521 0.521 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)C(=O)O 1779362391 HYVPLRPTAUQPAU-ONXXKREJSA-N 437.541 0.035 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779397995 AWCJASLPKPJABT-JBYIUTFZSA-N 431.533 0.335 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccnn3n2)C1 1779989081 JBNPGCBEGRGBMF-ZWDAVXSWSA-N 425.489 0.895 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935415 OSYYTOAYWSZPEY-VFNWGFHPSA-N 448.545 0.313 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1ccnn1 1781548012 NOSNCOYGIQTVRM-DACJCMDESA-N 431.541 0.825 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1783048367 ZKCZRSDRSAJTHE-MBSDFSHPSA-N 442.516 0.981 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1783199216 QKGDMEMJMBCHAZ-FZKQIMNGSA-N 433.452 0.871 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251257 MOXXDSNEMLQOOM-CSFVBSKPSA-N 441.575 0.538 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)c1ccc(O)cc1 1787427294 ZKCYLFTXHWFCKE-XYYCENQHSA-N 428.533 0.155 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788301970 ITVOKKXAXDWAGQ-JDHQYPSRSA-N 438.488 0.181 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788412687 CGVRMDZBJZVGEV-IEZWGBDMSA-N 428.537 0.704 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327932 GHDGHBRKGHQCKV-XJOINEQPSA-N 438.488 0.539 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnn2c1CCC2 1790391442 BZHKSEMVJAOGSL-HNBMCMEPSA-N 445.520 0.952 30 20 ICED 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)CC#N)C[C@@H]21 1791042097 TYBJLPQTGWHBEN-NXHUNJGVSA-N 432.521 0.993 30 20 ICED COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(OC)c1 1791077608 NFZVRTQJJQBQNP-QRFRQXIXSA-N 444.484 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2 1792485569 MTOHXWBMPMQDAD-JLRLZTEKSA-N 433.455 0.955 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1 1792943479 ZBXXHOFCXGWEDV-YVSFHVDLSA-N 428.876 0.928 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21 1793214503 KGAXWECCJDZALL-USGNIVHTSA-N 440.412 0.227 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NC(C)=O)c1 1793376337 SJPGETCULGIHOM-IZZQQSIFSA-N 428.489 0.685 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793823098 PREZGAJKIWRHDE-RMFSNUHRSA-N 430.574 0.892 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c(Cl)c1 1797626298 XWWLWHDTMUEYPS-IVWMJMPLSA-N 443.895 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1 1799309218 AMHLNNRZWQITEG-PLYYQAHHSA-N 439.472 0.969 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1802679725 JMZJWJCNSITFTN-FRFFOONESA-N 443.552 0.830 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)C2)N1 1806847628 BATJUWIQUYLHSZ-HNERZPPXSA-N 449.508 0.345 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810361046 NAZKEFAVRKOPAV-DUEBYEGMSA-N 445.520 0.339 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1814108279 VCTTTYQMYQHQBR-ZVDOUQERSA-N 429.473 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)n2cnnn2)[nH]n1 1814439238 DGLIVQDCBGLFNX-UDMBRALOSA-N 427.469 0.508 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819239800 SRVKNTDPYQHCIU-YOEHRIQHSA-N 449.512 0.748 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cncn3)sc2C1 1826778342 GUSOYCOAIQQNQK-FAVCKAPTSA-N 429.506 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829765114 HBGMLRKSEUSNOT-DFWCCGOPSA-N 437.496 0.353 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1830332420 MQYOUXNAMGLNCC-MDYRTPRTSA-N 426.514 0.158 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831392382 LHWZQATZTAOUAK-KSFYIVLOSA-N 444.488 0.148 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831399132 PSGQMXJMBLCVGR-FDDCHVKYSA-N 425.485 0.861 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1831399497 VMMQUSJFINIKFY-QVKFZJNVSA-N 449.435 0.842 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831425284 BRDBSOIZPLUXIZ-IQFRNVLWSA-N 439.509 0.563 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1831426507 MKBRGENHKPLTPW-BLIXFSHQSA-N 426.510 0.622 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831427067 SRLKUYCYVPLHOJ-CSODHUTKSA-N 433.509 0.325 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831490931 PICWXEVRWQDCFV-OXQOHEQNSA-N 433.534 0.754 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCCNC3=O)CC1 1831671259 KZIXGJGWUVCQOX-KRWDZBQOSA-N 441.488 0.338 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835310255 WMILABAIXMAITG-DYESRHJHSA-N 430.436 0.046 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338886 XMOSGZZEGITCMA-KSFYIVLOSA-N 448.520 0.756 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cncc4cnccc34)CC2)CC1 1836089973 KMRGNLAVSRZRKS-UHFFFAOYSA-N 435.484 0.903 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944481 OMDVCONISPDJJU-HTAPYJJXSA-N 441.488 0.146 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527720 UCEYMXMKSWWLFX-QNZROTIXSA-N 440.541 0.360 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838213697 QJIYOHXOFTVGDS-NRFANRHFSA-N 430.509 0.137 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)c1 1838888392 GJIWVSIOPNCEEY-JOCHJYFZSA-N 440.456 0.984 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905580 NJUIODQCWGIXKN-OPAMFIHVSA-N 428.489 0.543 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907489 VHBXZLBPORUZHC-OPAMFIHVSA-N 426.473 0.319 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488036 SWPRQXOIQFIBMI-JOCHJYFZSA-N 440.504 0.504 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518284 QYIQYSBXZNWSPH-VGSWGCGISA-N 448.520 0.309 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1)C(F)(F)F 1839893843 SXUFSOBHKMISIJ-SFHVURJKSA-N 439.394 0.918 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1)C(F)(F)F 1839894597 HTCWUBYJGRXYPU-INIZCTEOSA-N 438.472 0.045 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840160235 CHTLRIIXSUVVQS-RNODOKPDSA-N 434.518 0.444 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)CCC1 1840812789 LJHQSYCFOXEHKM-NRFANRHFSA-N 430.461 0.160 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840818498 GDUFGQQPFBZXKN-HXUWFJFHSA-N 443.485 0.559 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cncn1)C2 1847073888 NFXGJJXSWLCBLC-CVEARBPZSA-N 430.509 0.959 30 20 ICED N#Cc1ncccc1S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 428245548 PXDVOQXGXBOZAR-HNNXBMFYSA-N 436.515 0.889 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cn1 436562150 KFQXGSGOEZFHSH-UHFFFAOYSA-N 445.439 0.768 30 20 ICED Cc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1S(=O)(=O)NCC#N 447677653 VRQSEZBYBBQDTJ-UHFFFAOYSA-N 441.513 0.893 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)C1=O 464934715 DJRWHULOIHRYLJ-UHFFFAOYSA-N 429.477 0.752 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475202657 APXXKNOGVHYRKN-UHFFFAOYSA-N 438.488 0.991 30 20 ICED COCCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 477884372 WELPIHWZXZIIAF-INIZCTEOSA-N 443.547 0.544 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480961210 KYXYEULFLBUBIY-QGZVFWFLSA-N 436.493 0.744 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481781074 OCHSQQBGAOGZEL-QGZVFWFLSA-N 440.518 0.744 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@H](C)O1 484263873 WIUDYZPDSJVRMR-ROUUACIJSA-N 444.536 0.708 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1O 488186648 SLAITYAOSUUYMJ-PBHICJAKSA-N 447.513 0.907 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 501429192 MSXSSNYGFALRTR-IAGOWNOFSA-N 440.500 0.801 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F 502064160 RKTTZZPELFHPMA-UHFFFAOYSA-N 427.461 0.037 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506713148 WYPDUVSRBSLHEE-CABCVRRESA-N 445.505 0.220 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508710908 AMRBTFWDJZKZGM-QGZVFWFLSA-N 431.541 0.069 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 514968317 KWCBSWVPYLBZKU-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 515887680 RQVRHALXYQGMCH-ZWKOTPCHSA-N 426.521 0.801 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 522275600 VLXKUYSJTCMEAI-UHFFFAOYSA-N 445.516 0.756 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 522386574 ZMHXYPGDKLBVES-UHFFFAOYSA-N 447.520 0.832 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 523356184 VSZJJYZGYRUNOR-UHFFFAOYSA-N 444.473 0.879 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 538588685 TULMOASQAJVBAM-UHFFFAOYSA-N 433.472 0.940 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)ccc1OC 551865175 RGKCAFPJENEWIT-UHFFFAOYSA-N 426.495 0.567 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)c2nnc3n2CCCCC3)CC1 552980702 LCIGNUUTGQTRRU-INIZCTEOSA-N 431.541 0.018 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 557732598 YMZBBSOOFYZIFV-SFTDATJTSA-N 439.560 0.468 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 560053301 WIAQEDDXKJNQOL-UHFFFAOYSA-N 431.460 0.833 30 20 ICED N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 565379399 DPLMWUPTSLULRR-UHFFFAOYSA-N 429.418 0.954 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 572672362 AWIIVOKQVXEVBP-UHFFFAOYSA-N 435.509 0.505 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)c1C#N 578265999 PHNMEOOBUCBSPR-UHFFFAOYSA-N 427.533 0.482 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1-n1cnnn1 604219286 ZHLUJGXVIINJJD-UHFFFAOYSA-N 447.459 0.995 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 609795554 NXTPFTXFSIMHKJ-UHFFFAOYSA-N 441.513 0.940 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1 610775479 LPLZUIGHWFXCNU-UHFFFAOYSA-N 442.501 0.636 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CCN2C1=O 611610213 JPHBVTKOBKCLMJ-OAHLLOKOSA-N 439.407 0.316 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 618040590 ASOMPFZRZUUISH-UHFFFAOYSA-N 442.501 0.921 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(n3cccn3)CC2)CC1 731355461 LDPRERPMPDESHV-UHFFFAOYSA-N 442.545 0.925 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 733150771 UAROXSSMTWLDSC-FQEVSTJZSA-N 439.520 0.058 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742635935 AUPGHCHZJGIPCO-INIZCTEOSA-N 449.577 0.516 30 20 ICED N#CCN(C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 753636326 UZNLBJVIWHZWCL-OAHLLOKOSA-N 432.458 0.252 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 755482983 VUDZCHAMOSSWFR-QWHCGFSZSA-N 426.499 0.058 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc3c2OCO3)c1=O 758066597 CWEYIYWYMINQSG-UHFFFAOYSA-N 439.493 0.318 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760773708 NEXSTPVGGBPFGO-UHFFFAOYSA-N 442.501 0.995 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2OC)c1=O 765145482 RKJBKECTZCFIGO-GFCCVEGCSA-N 437.543 0.280 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O)c1cc[nH]n1 772360547 ZGRPGNMPBTZWFR-AWEZNQCLSA-N 429.433 0.624 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 783349449 ILAJSNYVUSSOCU-SFHVURJKSA-N 435.502 0.761 30 20 ICED N#CC1(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCC1 784186542 LRVJYZIKPCYQQN-UHFFFAOYSA-N 425.438 0.566 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(Cc2ccccn2)C1=O 784716611 MOKWOEAXNRAIBF-KRWDZBQOSA-N 441.513 0.818 30 20 ICED COC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 785108650 IAEXCHOVZHBDFQ-HNNXBMFYSA-N 439.490 0.239 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)C[C@@H](C)O1 787199794 SJECKDOTKCNMJC-HZPDHXFCSA-N 437.504 0.806 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CC1 793205064 WEEQPVWTZRUKKP-UHFFFAOYSA-N 443.503 0.079 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CCOC)c2)c1=O 794581221 RHNVWSSRDKPSEN-INIZCTEOSA-N 430.530 0.661 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 794641241 WLRHVYMPWBMQHX-OAHLLOKOSA-N 439.497 0.661 30 20 ICED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808033850 GVFFCPYRIOFUNA-WBVHZDCISA-N 428.493 0.585 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCC(O)(c4cccnc4)CC3)CC2)n1 809326297 MIHOOIXLTZCUBK-UHFFFAOYSA-N 434.500 0.943 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 818147376 HCPWUBAOSJNUFK-UKRRQHHQSA-N 432.506 0.451 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 857752480 PJKIFQTULZNFFS-WFASDCNBSA-N 428.894 0.554 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 914489555 SCNVNIHGBZKSFK-KRWDZBQOSA-N 432.502 0.699 30 20 ICED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916902021 BJWOLYYMCWWOPO-HNNXBMFYSA-N 436.472 0.906 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2CCCS2(=O)=O)cc1C(F)(F)F 918478323 IBOOLHVGCAFDFV-UHFFFAOYSA-N 425.410 0.808 30 20 ICED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(CCC#N)CCOC 1116928154 FKCVSWAXWUBEIU-HNNXBMFYSA-N 448.542 0.578 30 20 ICED CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298077336 RULMXRZGCPMSGZ-WMZOPIPTSA-N 449.625 0.945 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1316343590 LKFQMXZPXBJTSL-QGZVFWFLSA-N 428.518 0.966 30 20 ICED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322379108 UQVFXQSQOGUDHI-ZWKQNVPVSA-N 428.367 0.261 30 20 ICED C#CC[C@]1(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1324125982 SLUSRBWOEYXUQB-AUUYWEPGSA-N 428.507 0.626 30 20 ICED CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515120899 BSBBXQGBCVOBST-GOSISDBHSA-N 425.541 0.843 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1542393088 ZFBROILJXRPKIP-QZTJIDSGSA-N 446.533 0.697 30 20 ICED N#Cc1cn(CC(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(=O)nc1O 1557203778 NAJDQICGKOOEMD-BDAKNGLRSA-N 441.288 0.421 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1612493125 LBOOLWULWVKIMD-ZWKOTPCHSA-N 437.501 0.131 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1625801345 UPHXYNMEXDBZAJ-MRXNPFEDSA-N 446.508 0.364 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1706871563 QFPDUWIUEDZQKG-RDTXWAMCSA-N 441.533 0.733 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CCO1 1771538874 JCKZYJOFEHSKBR-INIZCTEOSA-N 444.467 0.974 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779103487 VSPPIYOLIZJEDT-LEYRACOBSA-N 446.460 0.783 30 20 ICED COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CC1 1779363635 FWIGTGDHZUDARO-XGHYCODVSA-N 434.537 0.925 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780046610 HOXGLJULLDHIGG-OPAMFIHVSA-N 439.472 0.922 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173744 CTWZYLKMOGRIQF-KNQAVFIVSA-N 444.488 0.161 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)c1 1781055950 DPUNOUFCWRNSSB-YVHKJVDXSA-N 425.489 0.731 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1CCN(C)CC1 1781093604 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N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1834761242 URPGGWRNEHSGHC-OFNKIYASSA-N 442.516 0.257 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1835359293 BXVMIOHMUONQOM-QFIPXVFZSA-N 431.489 0.822 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681393 VGOHLJRYHMWBAB-AVRDEDQJSA-N 446.552 0.491 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835919635 YWIROPHLVJJNIC-XMSQKQJNSA-N 430.505 0.391 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836186993 HDFPFPTZSPKJBM-JOCHJYFZSA-N 429.521 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418822 ABNMLZNBPUDFHG-OAQYLSRUSA-N 449.460 0.072 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837256100 ZJTDDJCWRMQDSU-UHFFFAOYSA-N 442.472 0.740 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525641 YCLIJWATIBTCIH-GUBLWLBDSA-N 435.481 0.019 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1837656763 HJXPURACKKBZNE-NRFANRHFSA-N 431.493 0.047 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1ccccc1=O 1837689432 XUGVGRQFJXHXPH-KSFYIVLOSA-N 439.472 0.379 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837700108 FZJMNOLTQATKTO-KSFYIVLOSA-N 426.473 0.319 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837743742 SCYFCANAHRMMHT-IEGUWTFLSA-N 446.548 0.912 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980325 IKGTWLKZCMLYOF-UHFFFAOYSA-N 443.548 0.975 30 20 ICED O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)=NN1 1838379473 SBBSPOVKGXXHPT-ISXGRJCASA-N 449.508 0.390 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@H](C)CC)C2)C1 1839173533 WUUHZOSPBGIHOW-FYINFDKHSA-N 426.510 0.359 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1839422455 VTRYUWGBZXOFLA-OAQYLSRUSA-N 442.451 0.449 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692182 HCKLXSGXAJUQAH-QHCPKHFHSA-N 441.532 0.390 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839875900 ZQJYGOKWPZKIGJ-KSFYIVLOSA-N 428.489 0.082 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260851 DCHXKHIWAIILGA-QFIPXVFZSA-N 431.489 0.136 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840450285 YZQFFQHTHUVGDV-JBYIUTFZSA-N 431.489 0.344 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840605962 IFEVDXNMNRTVLI-WKHFQEMYSA-N 425.485 0.450 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840845080 FSTTWSKJPQXLLO-OAQYLSRUSA-N 435.521 0.914 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841100670 LSSFJOSCNZJXLB-HXUWFJFHSA-N 434.500 0.775 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)c2ccc(C)cc2)C1 1842757428 MSCPZAYZWJXFPL-KTKRTIGZSA-N 445.541 0.831 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CN(C(=O)OCc3ccccc3)C2)C1 1845948890 XPQQTLSQMISYGA-UHFFFAOYSA-N 425.441 0.546 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1847069624 PVXDOKNGNUKOJM-CVEARBPZSA-N 432.521 0.797 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)n3[nH]nnc3n2)c1 1847470539 TUVBRQDYIVMZBE-IRXDYDNUSA-N 432.444 0.132 30 20 ICED CCn1cc(C#N)c(=O)n(Cc2cccc(Cn3c(=O)c(C#N)cn(CC)c3=O)c2)c1=O 71918125 JLQLIZBHESPPOE-UHFFFAOYSA-N 432.440 0.213 30 20 ICED CN(C)c1nccc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 410024147 YZTJVPXSUVUYCG-GOSISDBHSA-N 444.517 0.635 30 20 ICED C[C@@]1(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)NC(=O)NC1=O 434919513 AETOUPIVQFXMOL-IBGZPJMESA-N 433.490 0.160 30 20 ICED C=CCOC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 435944277 RYPSXOFQAIZCQE-HZPDHXFCSA-N 441.462 0.608 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441942875 RBJRIEBSVHUKIY-OAHLLOKOSA-N 442.566 0.420 30 20 ICED COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)CC2 444573420 UFTPAHLFTWDXMI-UHFFFAOYSA-N 426.477 0.927 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n1 460423985 TZPPNQHKDYXMBF-MRXNPFEDSA-N 430.490 0.537 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cn1 460603292 ZBMDSTKXACEYRP-UHFFFAOYSA-N 445.439 0.768 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1=O 463766783 GJOLBSMHCHDCOK-INIZCTEOSA-N 426.433 0.238 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471053328 OMBWQSYIZUSWRZ-HKUYNNGSSA-N 442.472 0.733 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 480876014 NWQBSSQQNANKFN-KZULUSFZSA-N 432.483 0.519 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2ccccn2)c1=O 489022118 ZYOONVIUSSHDCU-INIZCTEOSA-N 449.536 0.873 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 490058999 VGESDPVVWLHKNG-QGZVFWFLSA-N 428.489 0.638 30 20 ICED CN(C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1)S(C)(=O)=O 490290737 VNLOVEPDKZXDMC-UHFFFAOYSA-N 430.433 0.981 30 20 ICED COCCN(C(=O)CN1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 491025878 DNZITSXFCKSLOR-LJQANCHMSA-N 434.562 0.732 30 20 ICED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[nH]2)c1 493926791 HDAGDAFMCSKWLD-HZPDHXFCSA-N 427.486 0.600 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O 499097915 DQXYVBKKWNSLRT-UHFFFAOYSA-N 447.879 0.400 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 503592977 RWAVMINWTOUWRJ-UHFFFAOYSA-N 439.494 0.338 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508490970 RVSQHHIMQWMKOJ-OAHLLOKOSA-N 443.537 0.872 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1 511675932 ZKQHTQDYMUCEEM-UHFFFAOYSA-N 428.518 0.964 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2NS(C)(=O)=O)C1=O 517832311 COHJAVYDROAGQA-UHFFFAOYSA-N 448.379 0.992 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 517858859 HDSHVHXYNFSBQK-UHFFFAOYSA-N 427.461 0.189 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 522390832 ZUHOWLKZKDAPFS-UHFFFAOYSA-N 448.399 0.762 30 20 ICED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541154179 FVSUDNQQRBIFRS-UHFFFAOYSA-N 436.469 0.656 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 556389157 ZOWRMIAWUQGMKR-UHFFFAOYSA-N 427.486 0.953 30 20 ICED N#Cc1c(CCCNC(=O)CNS(=O)(=O)c2cccnc2)nn(-c2ccccc2)c1N 564761207 SXLTXABFOPQTFU-UHFFFAOYSA-N 439.501 0.748 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCCOC)c2)c1=O 603985932 FYWKKUULIUAYPX-UHFFFAOYSA-N 425.510 0.903 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604270523 VZVLLMNFWRDAER-UHFFFAOYSA-N 440.525 0.178 30 20 ICED N#C[C@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN1Cc1ccccc1 733947406 ZIPMVOUNILEVBE-ROUUACIJSA-N 443.529 0.388 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)c1 741732636 GNXAKQIOXKQIDO-UHFFFAOYSA-N 433.511 0.709 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3occc3C)c(=O)n2CCOC)CC1 743725742 YNOACNXGFZQMQN-UHFFFAOYSA-N 430.530 0.125 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1OC 746379681 QAFYBNDMOGOOAE-UHFFFAOYSA-N 426.433 0.347 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 749667446 SAAGAVHRVKMNIY-UHFFFAOYSA-N 444.460 0.068 30 20 ICED C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 756275078 IYTNURIDTGIPIF-WFASDCNBSA-N 430.479 0.201 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)s2)c1=O 758049486 GUSSYLMWRFXSGG-UHFFFAOYSA-N 431.564 0.692 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 758431834 LEJJXECHZJJMDW-CABCVRRESA-N 429.543 0.716 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@H]2COC(=O)C2)CC1 767602669 SCVXLARDBOXVJY-ZDUSSCGKSA-N 428.401 0.951 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)c1cc[nH]n1 770835191 TTWKIMIWIHDRKJ-UHFFFAOYSA-N 442.476 0.720 30 20 ICED C#C[C@@H](C)NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 773591744 APOQZPTYNHJSHX-CYBMUJFWSA-N 442.925 0.963 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)[C@H]1CCCOC1 780621930 ZZZWYNPVZXRURZ-AWEZNQCLSA-N 443.547 0.911 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)cc1OCC#N 785286735 OQZPUOOPHCUSGU-VDERGJSUSA-N 433.392 0.618 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 809065426 CXLHHZNJTHZJLK-UHFFFAOYSA-N 443.869 0.405 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 810782392 ORXAUDQJYPYJPD-UHFFFAOYSA-N 430.412 0.829 30 20 ICED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 815014667 WVAQBOZPLGNNML-UHFFFAOYSA-N 440.909 0.117 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837539624 SKKNKUUJCTTWDW-UHFFFAOYSA-N 437.525 0.771 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 838167095 URJKONXTWFTNJE-ZDUSSCGKSA-N 446.485 0.119 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(CC(N)=O)CC1 880209239 QZPLWVIILOBWBQ-MRXNPFEDSA-N 435.550 0.350 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)ccc1F 914657786 ZQZDXPKQISTSFD-GFCCVEGCSA-N 441.481 0.559 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NCCOC)CC2)cc1 919666241 IXRREQVWLXZBSZ-GOSISDBHSA-N 437.518 0.957 30 20 ICED COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1141522110 ZLORVPXMVBIZHM-UHFFFAOYSA-N 441.444 0.212 30 20 ICED CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCOC1 1296536062 JQLXMITZMRTKMY-HXUWFJFHSA-N 448.549 0.987 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC2(O)CCOCC2)C1=O 1322417487 TZYYEVQVGKVMBR-HNNXBMFYSA-N 434.518 0.785 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1323783352 MTESRTDICYJWRU-UHFFFAOYSA-N 425.326 0.688 30 20 ICED N#Cc1ccc(-c2nnc(CN3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)o2)cc1 1324297976 MBMJLFMMJOZTPO-QGZVFWFLSA-N 444.517 0.029 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CC(N)=O 1325011646 MFRAHWRAMREKPK-AWEZNQCLSA-N 449.536 0.914 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359151527 WLNCGGWZJSACNU-CQSZACIVSA-N 446.961 0.455 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1513975756 SLXHNJRHBDJBJZ-DOTOQJQBSA-N 428.518 0.966 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1519572385 QUTYVUWUVBWMGS-GOSISDBHSA-N 446.533 0.750 30 20 ICED Cn1cc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1624983734 XHQBHZRWUWZIHC-WMZOPIPTSA-N 441.513 0.611 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1706870095 VRAKKVDDIXGOCQ-SUNYJGFJSA-N 426.543 0.558 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1712887621 NPXMYKPZFORIPQ-CYBMUJFWSA-N 430.481 0.692 30 20 ICED Cn1cnnc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1748045691 ZKJUPTYDBIEXOK-MRXNPFEDSA-N 441.521 0.836 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994424 QSQTXYLVMZBXTC-HXOBKFHXSA-N 438.484 0.485 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779103874 CPWCYNGJYZAZTD-MPCQYRPLSA-N 436.425 0.290 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)cc1 1781011651 ZMQBZAQCMAXFHO-YCRNBWNJSA-N 441.532 0.473 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)c1 1781055944 DPUNOUFCWRNSSB-HOIFWPIMSA-N 425.489 0.731 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)[C@@H](O)C1 1781111479 HAJOMNHCQIFBDR-PONJGIIJSA-N 448.520 0.348 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298197 ADCNWVMYSCKWEG-NYHFZMIOSA-N 430.480 0.937 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781391070 NULJQCLRKPFRTD-IAQYHMDHSA-N 441.378 0.972 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1782183582 KDVSUGQIOAYCBP-PITQQHRWSA-N 431.555 0.662 30 20 ICED COc1cccc(N2C[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CC2=O)c1 1783447818 VKZSRRQVXQAQIQ-JSJNYSNDSA-N 440.500 0.941 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1784479006 RZMALCBTAZLNIP-QZWWFDLISA-N 433.530 0.496 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785382789 FLRVRXZRTXCWAF-NRFANRHFSA-N 427.457 0.720 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1785572061 IQMXRYNXRJRDNQ-OPAMFIHVSA-N 433.505 0.712 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1787509980 XFPJCVMYHSWLKL-VGMXSGEXSA-N 445.541 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937004 BVNAIYULEJTMHF-YHUYYLMFSA-N 428.493 0.291 30 20 ICED Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)nc2ccccc21 1787974249 CFUASQLOFGZUTP-MPGHIAIKSA-N 435.484 0.831 30 20 ICED O=C(CN1CCSCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792466426 SDORTELCRIRANC-FQWVCGABSA-N 440.566 0.154 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792777790 LUFWMVCYSCOPSJ-UGFIEOPBSA-N 439.512 0.169 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1793383260 RRNRWXNXISZSTA-VZAMPYOESA-N 436.559 0.914 30 20 ICED O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793937191 NDPHHYNEDKZONQ-OPMZPASUSA-N 427.501 0.749 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)c([N+](=O)[O-])c1 1795421685 VAIAVYSNOBUUOH-ZSBFGKGUSA-N 430.417 0.888 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)cc1 1796304076 GMHUKWDGJFDADH-NZGUISNBSA-N 439.541 0.717 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797744469 RBTHSELCUZDQKU-REWWFYARSA-N 445.564 0.449 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)C1 1797781346 XHNCYDOMMMGEQO-HZKQSDJQSA-N 446.544 0.864 30 20 ICED O=C(CNC(=O)c1cccnc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798491687 DGEBLQBMMIGGQY-DVRGTQFUSA-N 443.504 0.979 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CNC2=O)C3)ccc1F 1800131235 VDJPVQCNCBMXMF-MUJYYYPQSA-N 427.436 0.430 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800839271 JIMQTNYIJNIIBC-DMUMMCEESA-N 442.553 0.219 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1800985510 JQKUFWDTMMPFRB-QMHWVQJVSA-N 443.566 0.530 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801365952 GVCCWPPFZMTTSS-AYWDWDCISA-N 429.521 0.910 30 20 ICED Cn1ccc(=O)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991923 JNKRGNSRWOOSSL-FAQVEIGNSA-N 436.468 0.539 30 20 ICED C#CCCC(=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 1802025033 IVCPJOSAYZRSKJ-CYGHRXIMSA-N 437.537 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1804774877 YWDCQLMTMKEQRQ-HGHFLKBRSA-N 435.484 0.893 30 20 ICED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)ccc1F 1808560683 LBGWLEPRAYBGNJ-IIBYNOLFSA-N 437.479 0.824 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812716329 MOOZJBZUTAXNJR-NFBKMPQASA-N 430.549 0.568 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)[C@H]1c1cccnc1 1812877503 MHQHBRUEBXYADD-AOMKIAJQSA-N 432.436 0.984 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1813229227 LEHPVHKXFPZGEF-YLJYHZDGSA-N 428.489 0.824 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666254 YGOKFFUQOYIBAD-AWEZNQCLSA-N 444.496 0.235 30 20 ICED COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819608143 OGBFGMUFPLHQDN-IAGOWNOFSA-N 447.540 0.835 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819888938 APRMLIFXDAOJFK-XIKOKIGWSA-N 430.490 0.219 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1823078416 JCHGBIXDJGTKNJ-MNOVXSKESA-N 436.494 0.408 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1 1823746680 JVPJJPAWHSSASZ-NBEHIINDSA-N 443.552 0.798 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1829769347 REAABWOVWAARBL-ICTHTSFCSA-N 449.454 0.893 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829902679 YCBXUEFTLXYCMU-QFIPXVFZSA-N 431.489 0.220 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830193792 XYNNLDJPDADRGT-QJKPHDSHSA-N 444.488 0.480 30 20 ICED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1)C(=O)C(=O)O 1831165062 JXCWFPILMAWSMU-FSTGKYBXSA-N 449.552 0.621 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831686750 FIBCAOUFACJGGL-QFIPXVFZSA-N 439.553 0.588 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887779 FIUMBRUIJHLVFV-IERDGZPVSA-N 434.493 0.256 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832355457 OOWZRAHGRIAELH-HTAPYJJXSA-N 432.521 0.538 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 1833073750 FNZXPWPHOGFCHM-HCZHMGAMSA-N 431.581 0.511 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)[C@@H]1C=CCN1 1835051555 YZMHPSYOODVMFO-YUPBQZPNSA-N 433.553 0.615 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096162 SDWWTCYVQHDBLI-HSZRJFAPSA-N 427.501 0.409 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116294 FWLVQRNCMWYYSX-HNNXBMFYSA-N 446.639 0.302 30 20 ICED N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1835702657 XBRZKZXXLKPGGI-IORORUSLSA-N 444.536 0.010 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837531235 ZWEWYFJXJPDUAQ-BROWTRMISA-N 438.456 0.753 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837574184 PPIJHVMXAZFOPQ-LPHOPBHVSA-N 427.592 0.899 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837868841 MNEMJONUJKCBCV-UHFFFAOYSA-N 431.541 0.559 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033193 AKZFPNRHEOVUPR-AUUYWEPGSA-N 428.436 0.939 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838080682 HLSMXGULBVLNCP-BZNIZROVSA-N 436.456 0.827 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc2nccn12 1838740267 JHOLMOPXUBJWDZ-JOCHJYFZSA-N 449.471 0.621 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838904606 PFHYUPIRWKCJJD-QHCPKHFHSA-N 426.517 0.970 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949065 NIZNNRQODORHKV-HXUWFJFHSA-N 442.501 0.835 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839055091 WCSGQJVMYZTESW-PKOBYXMFSA-N 437.290 0.572 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c(C#N)c1 1839133535 VDSLIYXAMQMYIY-FDDCHVKYSA-N 443.500 0.602 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839224321 IDPANURWCRBEKX-KKSFZXQISA-N 434.493 0.967 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839227924 NGFZPAUIIKGISA-KKSFZXQISA-N 449.508 0.372 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1)C(F)(F)F 1839892388 LCHKZUOINNPDDE-GOSISDBHSA-N 428.411 0.984 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4cccc(Cl)c43)C2)C1 1840044792 YGRCNHRESMMBEL-AOMKIAJQSA-N 446.887 0.914 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1840176548 MNONQZNPEHIPPA-JOCHJYFZSA-N 432.473 0.885 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840536516 QGSSNPZXOMFBRE-ZMELMJDUSA-N 425.482 0.008 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C(C)(C)C#N)C4)csc2n(C)c1=O 1845013554 IJKOJZXKEYADTE-UHFFFAOYSA-N 443.529 0.594 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845438852 WLVSPPNBXJUZKX-XKQKCCJTSA-N 440.497 0.562 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1845484806 FZPHISLQWKGTFT-UHFFFAOYSA-N 434.493 0.245 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4sccn4c3=O)CC2)cc1 10453527 ZHYOQAFPDWNVET-UHFFFAOYSA-N 429.483 0.774 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1 108791967 SETLAXNDLVORFI-UHFFFAOYSA-N 426.472 0.798 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c1 110261186 LGFYZGBVRNBGJF-KRWDZBQOSA-N 449.529 0.472 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 410418424 CTPQBPYLCTWJFY-KBPBESRZSA-N 429.296 0.613 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 427691511 XVNJUBIVEVYPGC-DKQKVXEPSA-N 444.495 1.011 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 431512018 MQZMVQDEANNRAS-UHFFFAOYSA-N 428.898 0.661 30 20 ICED CC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437962605 JVWPVBKDHHHDCA-DLBZAZTESA-N 427.461 0.517 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 438733565 PMZNOCXHNABYFR-ZFWWWQNUSA-N 438.531 0.597 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)ccc1OCC(F)(F)F 439539043 DTULNOGDFBALAQ-UHFFFAOYSA-N 434.396 0.717 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1=O 440259519 WRQRFZRSBCRERF-SFHVURJKSA-N 428.489 0.651 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 462102524 CRZPSWPMJNRZFY-MRXNPFEDSA-N 447.521 1.057 30 20 ICED C[C@@H](C[S@](C)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467196961 SGNIDVJWEDVXSS-QZXCRCNTSA-N 426.564 0.090 30 20 ICED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c1C#N 467212386 WQXSOEWUJKSOGE-UHFFFAOYSA-N 445.457 0.470 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Br)c2)c1=O 480348301 JVUUHSKDZVBGDB-UHFFFAOYSA-N 434.315 0.571 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c(C#N)cn1CCOC 481447618 DNZBRZRNMAVVIS-CYBMUJFWSA-N 428.467 0.118 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 500306583 RKUUOQTZEHDTPL-INIZCTEOSA-N 440.570 0.457 30 20 ICED C[C@]1(C[C@H]2CCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(=O)NC1=O 503106839 CLCCAMKRRNGXDH-HYFFOGBASA-N 438.488 0.821 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508729091 CXKNPSUGJWFHCP-AWEZNQCLSA-N 443.533 0.848 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)c1 516014600 SNPDYDBDTOIWBI-UHFFFAOYSA-N 443.467 0.846 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 518301256 WJEXFXSUWULFSV-MOPGFXCFSA-N 443.523 0.963 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)s1 518705833 CSNKZOVDYNIJTK-UHFFFAOYSA-N 432.571 0.022 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)(C)CN(C)C 524282260 ZFTHRXNPBWAOMY-UHFFFAOYSA-N 427.574 0.920 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccncc3)c2)c(=O)n1CC(N)=O 525266073 KAJWEXDEUJOUKK-UHFFFAOYSA-N 447.520 0.486 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)c3cccs3)CC2)cc1 533020418 CZSIDHFFCUKHCG-UHFFFAOYSA-N 432.527 0.925 30 20 ICED CC(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 536294611 OTWPEIZDCUMFCN-SFHVURJKSA-N 437.566 0.387 30 20 ICED CN(CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 537045853 CRCUHEIAKGRLAK-UHFFFAOYSA-N 430.534 0.610 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542065110 BSIONABFSUPNBP-UHFFFAOYSA-N 436.881 0.440 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(C)C 556210111 YOSYOYGDDDOCHC-JTSKRJEESA-N 433.553 0.638 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 562932684 PVXSKPVZHQJELP-OALUTQOASA-N 447.561 0.270 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)C2=O)cc1 585726780 NNVQFLLVTJBLDJ-LJQANCHMSA-N 434.500 0.667 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC(F)(F)F)CC2)cc1 604102422 XPMJAUZNHMYMSA-UHFFFAOYSA-N 432.424 0.754 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911598 LEYGATATXHFEBM-UHFFFAOYSA-N 449.330 0.185 30 20 ICED CC(C)CC(=O)N1CCN(C(=O)CCCCCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 608975134 RIQJSUXASQSJRN-UHFFFAOYSA-N 446.552 0.645 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 609680122 KECKUFATUPXGGO-UHFFFAOYSA-N 425.463 0.576 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 618640151 WQPJNQUACZLKHD-UHFFFAOYSA-N 433.493 0.069 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669811704 QQWNGWDAGIBELR-UHFFFAOYSA-N 444.525 0.035 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 680941793 CISFULROCQIOMD-UHFFFAOYSA-N 432.546 0.906 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 727183980 VYPGJLGZOWPXCH-UHFFFAOYSA-N 434.455 0.402 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O 729673582 WKKUTPYQNGTFBI-UHFFFAOYSA-N 445.566 0.388 30 20 ICED N#CCn1c(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 729765896 HPGKNANMAVJSTG-QGZVFWFLSA-N 444.513 0.653 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1=O 733183643 JBEXSBNYNLXQGQ-IYBDPMFKSA-N 435.525 0.831 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CCC(N)=O)n1 735477716 UGEQMZAQPXAGHS-CQSZACIVSA-N 432.506 0.995 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C 735493380 OYXOWKJIKHCSGE-WOJBJXKFSA-N 434.562 0.638 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)OC(C)(C)C)nn1 748890096 BYLVWOQYSOMQMX-CYBMUJFWSA-N 449.489 0.902 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCC#N)CCN3CCOCC3)C2=O)cc1 749379828 QBQHYFUUKDKRDV-QFIPXVFZSA-N 443.504 0.537 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 750976552 AIWLWQNLCJONLI-OAHLLOKOSA-N 445.538 0.597 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1 756174906 LSNSMWSJOYWZHW-UHFFFAOYSA-N 429.445 0.197 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H](CO)NC(=O)C#Cc1ccc2c(c1)OCO2 758782743 XTQDZFLHKREGEQ-KRWDZBQOSA-N 434.404 0.141 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CCCC#N)cc2)C[C@H](C)O1 776123077 WWUAGASPNAOABB-KBPBESRZSA-N 429.520 0.848 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 782902187 HBFZSBIXCUDJGH-UHFFFAOYSA-N 440.432 0.890 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)n1 789787701 BMIPEYUTJALMHQ-UHFFFAOYSA-N 436.476 0.723 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1 797162179 INRFCXUQSISTAC-UHFFFAOYSA-N 449.573 0.980 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 800778019 WOYFZCQJORVEAF-UONOGXRCSA-N 444.558 0.804 30 20 ICED C#CCN=c1nc(N2CCO[C@H]([C@@H]3CCCO3)C2)[nH]c(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 804544049 FMLOLNVCVHPONE-CADBVGFASA-N 444.536 0.107 30 20 ICED C#CCCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 804976007 PHHIJLSNMBQKBJ-UHFFFAOYSA-N 428.532 0.897 30 20 ICED CCN1CCN(c2ccc(CNC(=O)C(=O)NC3CCN(CC#N)CC3)cc2F)CC1 805008113 AHPOCUPOTLHGCQ-UHFFFAOYSA-N 430.528 0.688 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 805719038 NTOIRVIVXCMMSX-UHFFFAOYSA-N 432.433 0.782 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn(C)n2)c1 807438660 WHSFAAGEXNNFEF-ULJHMMPZSA-N 447.521 0.663 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807941178 MLHWJLFBMIHLOV-GXTWGEPZSA-N 440.547 0.983 30 20 ICED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 808034047 BZYCTJGXFRKGFL-GOEBONIOSA-N 445.524 0.232 30 20 ICED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 808179479 MITOXJPTKBDWJU-FQEVSTJZSA-N 431.497 0.334 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 812757345 CJHVEXSVSNSEBG-HNNXBMFYSA-N 447.561 0.317 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(c4cnccn4)CC3)CC2)o1 915388371 YTCJEIMXXFQNOB-UHFFFAOYSA-N 439.476 0.753 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 920728089 VMNCONCFPGJNIW-UHFFFAOYSA-N 441.462 0.564 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCCC(=O)NC 1300830976 PBAZJADWLHSPDS-NSHDSACASA-N 437.364 0.759 30 20 ICED CCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1313984254 UKGKVJKFOLTIML-KRWDZBQOSA-N 425.493 0.943 30 20 ICED C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1320266074 QVKQPBFRALZGGC-INIZCTEOSA-N 432.520 0.494 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360206904 LDVJOSJHVIBEDB-SUMWQHHRSA-N 427.506 0.140 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1517540770 XXEYOWIXUVFXJW-QGZVFWFLSA-N 425.493 0.683 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1618995807 ULZOYOHMXXQQOY-IAGOWNOFSA-N 438.554 0.776 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1625326926 JFWKXMHNRITUKY-SFHVURJKSA-N 438.463 0.344 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccccc2C#N)CC1 1627568341 FYOLXKNGWSSZBM-KSSFIOAISA-N 434.543 0.996 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c(=O)nc1O 1633438597 JTXZZVAMUHRBFM-OAHLLOKOSA-N 446.261 0.673 30 20 ICED COC(=O)[C@H](Cc1ccccc1Br)NC(=O)CCn1cc(C#N)c(O)nc1=O 1639982174 JNOAPXMDMDIIFH-AWEZNQCLSA-N 449.261 0.874 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)[C@H](C#N)C1 1679945126 UIZDJEIJGVNSAW-GDBMZVCRSA-N 441.554 0.955 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c(=O)nc1O 1681324530 MYMHJYLHGGOBIH-QGZVFWFLSA-N 428.518 0.737 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1729779780 XUSVMXSSWGYEAE-IERDGZPVSA-N 427.461 0.879 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1743208804 PHFAOUXFMVPCGZ-ZHRRBRCNSA-N 439.520 0.462 30 20 ICED COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1770757985 ZBGVQNNQXBRJAL-DLBZAZTESA-N 440.508 0.763 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777832830 XFRXHTIPJRGRRV-FUMRIQNTSA-N 441.484 0.760 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)ccc1F 1778158343 CLWKIUAHLNTYPM-JOCHJYFZSA-N 444.463 0.912 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1)C2 1779557911 OHHDOLRZKVOWBO-MIZPHKNDSA-N 442.516 0.837 30 20 ICED O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1780154972 MBBZYLCBFYAAKY-QHCPKHFHSA-N 426.469 0.693 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1781271843 NDLOSFRPCFRUIG-OPAMFIHVSA-N 430.505 0.854 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)ccc1F 1781296837 HZETVVWGUIHSBQ-QFIPXVFZSA-N 430.480 0.402 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C1)CCC2 1782438378 JEGBMTVCEZHXPU-ZZAWEDPDSA-N 428.537 0.824 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728563 YYXAFSSMOPLDPB-HXOBKFHXSA-N 428.533 0.804 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C(F)(F)F 1783201046 QJZNFDKVRGKASP-DOMZBBRYSA-N 427.445 0.263 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1783683524 QAAKTCDKEIRJOQ-SNRMKQJTSA-N 443.500 0.979 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1784392113 FMEMHZXIEIODSY-HXUWFJFHSA-N 442.501 0.921 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249525 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STEPXIBUWKNMEL-PGRDOPGGSA-N 443.504 0.384 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1)C(F)(F)F 1837244219 PVJSTVPQQXDCJY-DEXQXJORSA-N 426.457 0.720 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837403615 OWBKSAMSTZLKOA-XMSQKQJNSA-N 432.521 0.472 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837525654 YCPBCCKFGNIPKM-MXAGAPAXSA-N 449.508 0.328 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837846999 ZDBFTKOXOAOMGF-OAQYLSRUSA-N 435.452 0.800 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738104 QJRIAAZEIGAXMF-BTYIYWSLSA-N 431.493 0.261 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950808 GCUOZWFIHHXUEV-OPAMFIHVSA-N 428.489 0.495 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c(Cl)c1 1839079404 PRRUKPJMFKFYMF-XERREHJYSA-N 448.907 0.004 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cocn4)C3)C2)c(C#N)c1 1839132214 ZPPQGNPOWQHYLR-QFIPXVFZSA-N 440.456 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839173511 UXYQAEKKSFYAPX-XMSQKQJNSA-N 437.537 0.437 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186376 POWAEVKHNLWSMU-QFIPXVFZSA-N 447.463 0.649 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839222334 KOVKHHCQSXFBPE-DYESRHJHSA-N 435.525 0.528 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1839229069 YNXQBIVIUSWKEJ-OQBWYENPSA-N 431.493 0.747 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(Br)ccc3O)C2)C1 1839809943 VRSIGKRZSJJQII-IBGZPJMESA-N 437.290 0.787 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1)C(F)(F)F 1839892007 NASAIOBNUJFDJN-QGZVFWFLSA-N 448.373 0.971 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840198584 GJLQCFXWPPGGBE-QMPWQUHFSA-N 442.582 0.029 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840227074 FDZGDJNKHZERPZ-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840483316 DCRNYBBSQSOZQG-JOCHJYFZSA-N 447.488 0.174 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)C=C)C1 1844373728 GHHLFVBCZYFHOU-HOTGVXAUSA-N 432.521 0.797 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(COC)c2)c1=O 440372497 FHKVVSVVOJRPCY-UHFFFAOYSA-N 425.510 0.604 30 20 ICED CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)Nc1ccn(CCC#N)n1 444513261 YUMSECCKNCDZEB-UHFFFAOYSA-N 433.490 1.066 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 448302448 MERYLQNLLNVWDO-CABCVRRESA-N 438.492 0.652 30 20 ICED CCN1CCN(CCc2noc(CCc3c(C)nc4c(C#N)cnn4c3C)n2)C(=O)C1=O 460843263 UCKUSJIDQZTFLQ-UHFFFAOYSA-N 436.476 0.619 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 472060288 RVQMEIBHLHSBSK-UHFFFAOYSA-N 428.497 0.296 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CC1 477337576 HQNQCGONXAYAEE-LLVKDONJSA-N 446.460 0.946 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)n1 479361498 HMALYRHIOMLLHO-UHFFFAOYSA-N 439.497 0.625 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccon1 480952096 JKOLNGGHZRJCLB-OAHLLOKOSA-N 438.509 0.909 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487141884 ZZUOSVOGPGOKEW-GOSISDBHSA-N 440.504 0.038 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 506031871 NTZBFKGERBWMLW-IKGGRYGDSA-N 448.545 0.884 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1cnn(CC)c1 522380489 YOXUCLGEPCOBSZ-UHFFFAOYSA-N 440.554 0.940 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(C)ccc2F)c1=O 524200319 GQWIIEYZESOUAY-UHFFFAOYSA-N 449.529 0.137 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C#N)cn1CCOC 539635838 MNNXTFRYQXWTIO-FQEVSTJZSA-N 431.449 0.842 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 548478835 VRENLHLISBAVPD-UHFFFAOYSA-N 426.542 0.623 30 20 ICED Cc1nc([C@H]2CN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)CCO2)n[nH]1 554159974 RWVZTVQDHWJIAB-MAUKXSAKSA-N 441.467 0.809 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 560160072 UEFZAEQPFVYVOR-UHFFFAOYSA-N 430.486 0.961 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 565648109 CFVDFMVYIALNMW-SFHVURJKSA-N 437.504 0.639 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 565740633 UCIONQYKUNIXHD-CFVMTHIKSA-N 435.502 0.854 30 20 ICED CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 567528381 VJMDFEBAELHJLT-UHFFFAOYSA-N 436.516 0.859 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 567643168 KZZVCOFAIOEXTO-MRXNPFEDSA-N 440.504 0.403 30 20 ICED N#Cc1cncc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 576269099 WSUDVEDZOQRYAS-INIZCTEOSA-N 429.506 0.527 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CCO2)n1 581459369 NDIDIMODLJJDAT-HNNXBMFYSA-N 435.448 0.213 30 20 ICED Cc1cccc(N2CCN(CCCNC(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 585722437 OHQWITGFUUSGKC-UHFFFAOYSA-N 426.565 0.728 30 20 ICED C=CCSCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 586812876 OYGCJRDRZMLMHB-MRXNPFEDSA-N 434.566 0.434 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 586824182 HOWLFQMDXJBLBO-CYBMUJFWSA-N 440.426 0.825 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589405197 ZGHJRXRKHDPVHU-UHFFFAOYSA-N 438.492 0.090 30 20 ICED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 590233836 NDUYHNPHPRFMTK-UHFFFAOYSA-N 429.296 0.753 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609337602 AZUOTYZMSKGVQF-UHFFFAOYSA-N 426.587 0.811 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)N(C)CCC#N)CC2)cc1OC 609801505 DTAPGIIKJSGSNV-UHFFFAOYSA-N 446.551 0.537 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCCSC 611492498 FXRJGEFDLSAUPU-UHFFFAOYSA-N 436.490 0.959 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)cc1 618576300 HGPWIWYTVVYEAN-UHFFFAOYSA-N 444.513 0.907 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccn2C)CC1 670232243 YPOGMSBPCOIERP-HNNXBMFYSA-N 435.554 0.765 30 20 ICED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728582562 RCMJBQGLRXVLMJ-UHFFFAOYSA-N 427.442 0.275 30 20 ICED C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 733161520 WXMWKTFJSFWUBJ-GOSISDBHSA-N 446.573 0.847 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 739174899 KXYBKHTXQZZQNM-UHFFFAOYSA-N 447.860 0.584 30 20 ICED N#C[C@H](C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)C(=O)N1CCS(=O)(=O)CC1 740557455 JJCSJRDYGFUXEF-CYBMUJFWSA-N 441.391 0.866 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742649990 JTEUJIZVJBUSDM-OLZOCXBDSA-N 428.536 0.031 30 20 ICED COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746353453 HCEMDQYKBFCCTN-UHFFFAOYSA-N 425.493 0.682 30 20 ICED C[C@H](CC(=O)O[C@H]1CCN(C2CCOCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 746993737 RLUPNSISYAVQBK-CJNGLKHVSA-N 435.502 0.827 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749517908 BZEOHFAJTGHJKG-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED CNC(=O)Cc1noc(COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 750307962 YZMAPPQYBXJRGI-ZDUSSCGKSA-N 449.489 0.555 30 20 ICED COc1cc(OC)cc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 752182953 XLPUIKMKKIZUMF-DYVFJYSZSA-N 449.485 0.023 30 20 ICED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 755392726 LZBIXFINRCWZKR-UHFFFAOYSA-N 442.563 0.434 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 755618490 LTGSKSCBYYSOHU-HNNXBMFYSA-N 446.554 0.669 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OCCOC)c1=O 758066114 AVIMMVHADFDBPW-UHFFFAOYSA-N 437.521 0.694 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 761032225 GMNPOOILBUBHQY-UHFFFAOYSA-N 445.545 0.370 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)no1 761034098 JMSKRVIFAYPIES-UHFFFAOYSA-N 444.423 0.746 30 20 ICED C#CC[C@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 764041422 JTMXAGPCCLGFSW-HSZRJFAPSA-N 448.564 0.782 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680987 OQJFFWFGNHDVFW-AWEZNQCLSA-N 438.506 0.141 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)cn1 772331750 QUNVWUJTQDYELC-MRXNPFEDSA-N 425.514 0.558 30 20 ICED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 775418373 WMOVZEBIQXJQBW-ZDUSSCGKSA-N 438.506 0.477 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCNC(=O)c2cc[nH]n2)c1 780880849 WYOYSIRLEDVFJX-JLPGSUDCSA-N 433.494 0.774 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 783347573 QBOQCANYYQZXEH-UHFFFAOYSA-N 429.520 0.091 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 783480145 OXTMSWIXTOPOBC-MRXNPFEDSA-N 447.513 0.800 30 20 ICED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786533559 FULISUJNAOSVPB-KBMXLJTQSA-N 437.905 0.701 30 20 ICED COc1ccc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cc1F 787774331 HAWYURONALFQNK-UHFFFAOYSA-N 440.479 0.973 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 805716896 PJUDDADCNCMEPP-IBGZPJMESA-N 436.424 0.621 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 813984002 LQFUMZQPFPLYBJ-UHFFFAOYSA-N 426.501 0.918 30 20 ICED CN1CCN([C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2cccs2)CC1 884396551 GREQQHJRSYWCEJ-MRXNPFEDSA-N 447.586 0.892 30 20 ICED Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl 914577140 IZRHBMVMMKAHCI-UHFFFAOYSA-N 429.911 0.640 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917037102 VGFHVWSROWTGQM-INIZCTEOSA-N 427.438 0.865 30 20 ICED CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501416819 VVTNKSBMMDWKBO-MRXNPFEDSA-N 437.508 0.301 30 20 ICED COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519123094 ONTMWRRXPPSIRU-FQEVSTJZSA-N 441.584 0.895 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1628786879 JXXOMZQSNAZZPV-QUCCMNQESA-N 437.475 0.945 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1643118649 QFUJSYFSEVDDSU-BZNIZROVSA-N 432.424 0.895 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705747511 OEHYNGDWYZZKSM-HOTGVXAUSA-N 446.021 0.857 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1710330178 MQTIQWCFYAFFIJ-UHFFFAOYSA-N 434.508 0.367 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1760689466 XNQLYFZEQVZHLD-KEYYUXOJSA-N 429.616 0.921 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1769240972 YHZDLVWLUHKMTK-LJQANCHMSA-N 441.536 0.688 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1771361480 WTBQQQALJWXRFB-UHFFFAOYSA-N 446.533 0.440 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976644 MIQSOJRTRZIGSP-PTXHPZSESA-N 442.476 0.702 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778757956 OIHXFGUSLMBEKL-ZSZQSSIHSA-N 447.623 0.490 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1778882455 IWDZJOTZWZVCAD-VBKZILBWSA-N 427.465 0.025 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC5(O)CCCCC5)C4)C3)(C1)C2 1779067707 YMARYGPUXWOOSC-IWAAJCSBSA-N 444.528 0.858 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccccc1 1779184918 XZJOMYCFAPRMKU-SKPFHBQLSA-N 440.544 0.606 30 20 ICED Cn1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)c1=O 1779358965 MXDOZDNELZIVKF-CBWPXHNPSA-N 443.548 0.985 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360757 OAOZRGGTBGTMIS-YEOABVOBSA-N 435.569 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 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N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccccn1 1786868952 JUBCWHHGEUXHMP-RJOZEALSSA-N 440.544 0.760 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3Cc4ccccc4C3=O)[C@H]2C1 1788149680 QZVUSLIERUHVJF-WDSOQIARSA-N 439.468 0.100 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1788572567 ACHFTVJMXWCJNI-LWYYNNOASA-N 436.597 0.177 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788772014 YKYRAXMAYFXEFS-BURNTYAHSA-N 427.501 0.169 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1789954876 GPWCPIMNIZRFSE-CVYDXHPNSA-N 449.508 0.493 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791758974 VFJGCFIAZOUWOF-PJVZLEMVSA-N 449.548 0.919 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C3)C1 1792440356 QSIMNKVERGNNGW-PJVZLEMVSA-N 449.548 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1793340923 RZBQMGFYVURQOQ-GGXPGOJBSA-N 441.463 0.648 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2 1793342755 OTQYDVZURZDQQY-ZQOJQMTGSA-N 437.537 0.918 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)c1=O 1793550993 UNZYEZYIYDHEPU-UPHUGPLXSA-N 436.468 0.539 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)cc1 1794088746 KMYKVDMTAWRYDT-ACDBMABISA-N 444.557 0.469 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111560 QJGBBOZLVNQSLL-IHSNIMORSA-N 442.516 0.776 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)cc1 1794357921 XJBYBIPWGHYSDQ-OPMZPASUSA-N 436.468 0.793 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)c(O)n1 1794490442 IRNKJSOGEAKGHM-ZTENYAIWSA-N 428.489 0.245 30 20 ICED 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CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810327325 NCZFADILXAXQLC-GHTZIAJQSA-N 447.557 0.831 30 20 ICED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816675355 NIBJTWOVDVMVOR-SNVBAGLBSA-N 426.462 0.298 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CS(=O)(=O)N4CCCC4)sc3C2)CC1 1817271474 DFWGOQCUVXPNPF-LBPRGKRZSA-N 437.547 0.784 30 20 ICED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824667557 NVNOTXBWDVNPMV-JTQLQIEISA-N 426.520 0.517 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828806206 MMIKGCLZBHIWAM-OAQYLSRUSA-N 437.460 0.784 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1830332422 MQYOUXNAMGLNCC-WRWLIDTKSA-N 426.514 0.158 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(C)(C)C 1831093297 KJFSLNHRZNPKNZ-JTSKRJEESA-N 434.537 0.687 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831397113 UNYAGZNEUWBBCP-HJPURHCSSA-N 441.484 0.038 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831402637 NKOPAALOFPPIED-XMSQKQJNSA-N 432.521 0.074 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831704818 HKMFJIGVZGPBND-ABHNRTSZSA-N 430.379 0.263 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273900 MVGIYNMNGXHYTC-IQTGRTGDSA-N 428.445 0.102 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1833465866 TUKSNWCOMMPPLS-AWEZNQCLSA-N 432.481 0.541 30 20 ICED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834413452 BDPMYEOWDZYCND-CRESJJQNSA-N 449.508 0.502 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)C1 1834793499 BLOVJDIKKUDQAM-UHFFFAOYSA-N 439.520 0.569 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCCO3)CCO4)c2c1 1836225381 RRYZEYJJSAMONS-XMSQKQJNSA-N 439.472 0.684 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837374801 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N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc4ccnn24)CCO3)c1 1839499128 LJCFCLLIHMSFOM-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1839782764 ILMMBNJHHLVBLZ-LVCYWYKZSA-N 440.562 0.788 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839887521 HBPRIMRNYHHZBQ-IBGZPJMESA-N 428.480 0.936 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)C1 1840039911 DHXXYUSVRLXRGR-OAQYLSRUSA-N 445.859 0.979 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840158187 IKKUWBXSVOBJBG-QVKFZJNVSA-N 449.529 0.759 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840294297 APEHYAGZXIYTSV-REWPJTCUSA-N 434.581 0.272 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840583624 ZRZYLKJNWVHZCA-SIKLNZKXSA-N 429.521 0.829 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1840845300 SLCUXXMYPMDBEK-QHCPKHFHSA-N 427.501 0.595 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840855355 FTICYVYOABYKTE-VQIMIIECSA-N 431.480 0.959 30 20 ICED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304525 ILHQMCZOFYSPSI-QGZVFWFLSA-N 441.532 0.816 30 20 ICED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1842828902 MFMRMXWTECBMQD-UHFFFAOYSA-N 435.532 0.889 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258861 BLTBSSOGEWYWRY-DEDYPNTBSA-N 425.555 0.087 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845212614 ANAZXXDJELMARB-QGZVFWFLSA-N 437.537 0.896 30 20 ICED C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 23635743 DUSOKAICYWJCKM-CZUORRHYSA-N 436.490 0.784 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 409550332 RAJNZFFTWMEOSN-LBPRGKRZSA-N 444.564 0.334 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 436773388 JASYPYYLBQQDJQ-CYBMUJFWSA-N 430.490 0.655 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1C 442140221 RKPCMKJMAFNKDQ-OYHNWAKOSA-N 449.471 0.794 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 444509313 VTSAPRLOPMQTFP-UHFFFAOYSA-N 444.517 1.226 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783070 MCILKPFHQWPIJQ-QGZVFWFLSA-N 435.509 0.431 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO2)C1 460895453 KZBNGHCNLVESQO-IAGOWNOFSA-N 438.554 0.920 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(C(N)=O)no3)nnc12 467497274 VQLIQUOLZXYMMW-UHFFFAOYSA-N 439.457 0.726 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 471156620 LQVXCEKKDYBOFK-UHFFFAOYSA-N 428.898 0.171 30 20 ICED CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 472275152 ISMRDRWRRFPYCX-MSOLQXFVSA-N 427.553 0.582 30 20 ICED COc1ncc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C(N)=O 475260837 CABXERBVAVWBGP-CYBMUJFWSA-N 440.435 0.924 30 20 ICED N#C[C@]1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCOC1 478643924 KHBVLMUBKDBKGJ-LJQANCHMSA-N 434.474 0.568 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 479396251 VELHJBRGYAVXFP-UHFFFAOYSA-N 442.541 0.865 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 480446687 LLGUZQHCIZPFMK-GJZGRUSLSA-N 433.534 0.036 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 480831790 TUXIHWDMWBFTQE-UHFFFAOYSA-N 438.492 0.864 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504397605 WWDRVDBPOJNBBL-DLBZAZTESA-N 427.461 0.517 30 20 ICED C=CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 520928282 PYEZXYNYEVLFHQ-CQSZACIVSA-N 430.494 0.672 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](O)C(F)(F)F 537017042 FOTYJHNOTHLPFY-HNNXBMFYSA-N 434.440 0.246 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 546720489 KHPFOZHEPJDTME-UHFFFAOYSA-N 425.493 1.110 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(=O)N(CCOC)C3)nnc12 549153677 OOSCSMKQYTZDOV-UHFFFAOYSA-N 442.501 0.597 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCO1 549853250 CULREMDRGPWAJS-QZTJIDSGSA-N 426.477 0.859 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 551730738 FFQOHLUABRSAHR-AEFFLSMTSA-N 434.518 0.605 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CC(N)=O)c1=O 552007497 JJFXHKMFORICAZ-UHFFFAOYSA-N 441.900 0.476 30 20 ICED CNC(=O)C1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 557000305 XBYQLLGQGJLFFY-ABHNRTSZSA-N 425.489 0.196 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)c(F)c1 558039304 GKQVDYGSBVCNDC-RTBURBONSA-N 443.523 0.963 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 558160353 ZWZYEFAPBXALNC-UHFFFAOYSA-N 425.421 0.144 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1OC 579171732 PSDXESKUGDWYKK-JOCHJYFZSA-N 443.504 1.575 30 20 ICED C[C@H](NC(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 582761963 ZDADCMSEGSESSH-JKSUJKDBSA-N 442.545 0.989 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2=O)cc1 588866453 YVHDTRCNOOMUEI-FHWLQOOXSA-N 426.473 0.576 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2=O)cc1 588869849 ORLVLOQKOZHNJW-FQEVSTJZSA-N 445.479 0.651 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 604026487 KXTPGSZMOVIHIE-UHFFFAOYSA-N 426.442 0.690 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C 604269858 GPATWOZSNPBGDE-UHFFFAOYSA-N 442.541 0.426 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 609038865 ORPHLGGYHFARRS-UHFFFAOYSA-N 441.538 0.270 30 20 ICED Cc1ccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1S(=O)(=O)NCC#N 609413243 JTRLELPLTBMNHX-UHFFFAOYSA-N 442.501 0.253 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(Cc3ccccc3)CC2)CC1 671803896 LJYCVJIEPZDSIM-UHFFFAOYSA-N 441.576 0.461 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCOCC1 728085641 GYCPQHMEEQYDPG-MRXNPFEDSA-N 437.518 0.978 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CCC1=O 729971525 WTHGDEXYFLKBTH-HNNXBMFYSA-N 434.518 0.795 30 20 ICED C=CCN(C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)[C@@H]1CCS(=O)(=O)C1 731896575 MHXDMVANYRBHRN-QWHCGFSZSA-N 435.955 0.994 30 20 ICED COCCCN1C(=O)C(=NNC(=S)NCC(N)=O)c2cc(Br)ccc21 731930144 PODKKYDDVPAIHV-UHFFFAOYSA-N 428.312 0.486 30 20 ICED C[C@H](CC(=O)NCCC(=O)NCc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742590412 JRODALMAVUJZDM-CQSZACIVSA-N 429.502 0.721 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cn1cc([N+](=O)[O-])cn1 744991222 YYQCGFOUNWTFDR-UHFFFAOYSA-N 440.372 0.714 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(F)c1 750776314 QYRRBGMMTVPZCT-OAHLLOKOSA-N 447.492 0.511 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 756880636 BYXLGZBJYDVORQ-DOMZBBRYSA-N 441.510 0.428 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758050231 DSCCXIUSWXNEAV-ZDUSSCGKSA-N 426.454 0.105 30 20 ICED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771364296 XKNHFZOIJIHPPN-QGZVFWFLSA-N 437.250 0.741 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 771480762 GAKWHDOFSYFCQD-RURFIKTLSA-N 441.444 0.105 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(Cc3ccon3)c2=O)cn1 772312209 RWONBCRLGUUUQV-UHFFFAOYSA-N 445.464 0.780 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 786998952 RTBMNNFHKKTMMM-IAGOWNOFSA-N 446.529 0.982 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 787313370 BBFHECWXDALSDT-INIZCTEOSA-N 444.536 0.641 30 20 ICED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(CC)C[C@H](C)C#N)CC1 800009207 JDDVUFQFYJQKPY-OAHLLOKOSA-N 431.559 0.820 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1 813979795 DNZHQLKUCDEROF-UHFFFAOYSA-N 448.258 0.931 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1 914493134 VZHYYRGVMMABQD-UHFFFAOYSA-N 430.461 0.849 30 20 ICED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)[C@@H]1CCS(=O)(=O)C1 919988634 AEFIADKXRJSFKM-CQSZACIVSA-N 442.515 0.293 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 1318289830 SNYFXPIUAROEHX-UONOGXRCSA-N 425.536 0.690 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1464907275 LARIWPYOESLIKD-UHFFFAOYSA-N 438.536 0.662 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1516229525 QBGJDCOLKXOLSG-UWJYYQICSA-N 426.477 0.806 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1555990730 LIMZMOBRRJULEW-INIZCTEOSA-N 449.558 0.732 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1632920072 ZUQASBWHCPGYGD-UHFFFAOYSA-N 426.417 0.789 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1644731011 TXIPUYDCAFHWGK-JTQLQIEISA-N 442.423 0.758 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1698061974 ZSOJIZAPBFEMRL-HZPDHXFCSA-N 426.543 0.572 30 20 ICED CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1724031867 OOXMQDLFWPFGMW-UHFFFAOYSA-N 439.520 0.776 30 20 ICED CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1728203910 OJKFQPHXKSGOIY-AWEZNQCLSA-N 436.476 0.447 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1747194698 MAXDCJCFGAMAJI-SJLPKXTDSA-N 431.541 0.486 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1747973710 PCJIHWJPDFWNEK-UHFFFAOYSA-N 447.565 0.524 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1751095812 ZQSPJLXWGHNXDS-KBPBESRZSA-N 429.568 0.886 30 20 ICED N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1cccnc1 1779104176 GTKBCSCQKMPLLV-GYMYBAMSSA-N 445.520 0.830 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779553424 INTLVTIITVETOY-DZKDUJFISA-N 425.526 0.243 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780213863 OUGPLUSXSJVKGJ-FPSSLUBQSA-N 432.477 0.153 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)NC=O)C2)c(C#N)c1 1780725011 HZNGGOJJFOARMS-AYPBNUJASA-N 442.516 0.758 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939699 IIGIOVUEHCFBHL-JOCHJYFZSA-N 444.557 0.915 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1781163259 KAUHGPVPRBUURQ-KSFYIVLOSA-N 449.504 0.551 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c(C#N)c1 1781173735 WAHDQDUUZCSWQQ-OAQYLSRUSA-N 425.445 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1781268797 XRLDRLWCVFKSMG-FQEVSTJZSA-N 434.518 0.908 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1782181961 DASNHKVICBDJHS-GQWAEJPESA-N 435.550 0.462 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CC1 1782422959 QNUCVCNNAQPJSJ-FQEVSTJZSA-N 427.486 0.873 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782958348 BREGJHXBHHGRPR-FXAWDEMLSA-N 435.477 0.718 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783775391 RTYQIJXTVYFGFQ-OPAMFIHVSA-N 449.504 0.598 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1785572034 IIJFBAJQKGDBCO-JPYJTQIMSA-N 448.564 0.829 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785646902 MWHIYFBWENZBON-ASSYQDBGSA-N 447.492 0.608 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860343 YHQWITWJZOPZBQ-NXOAAHMSSA-N 426.583 0.362 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788451951 LALSTMAGTSXPON-XLAORIBOSA-N 427.505 0.896 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226116 DFBNPHYOFKFSKK-ZVZYQTTQSA-N 447.536 0.775 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5nccn5)C[C@@H]43)c2c1 1790329596 MGJHNZANBIZPSQ-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1790877999 WPVMETQWBUSVLO-JYJNAYRXSA-N 449.520 0.603 30 20 ICED O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791603744 DEQNSHCOEDTHEU-HMRXFYLZSA-N 430.509 0.307 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)c(O)n1 1792579041 HYZJUEIAQUHYEH-IHSNIMORSA-N 442.516 0.635 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c1 1794360582 ADXVXFLHDCDAMU-CWPLJXCYSA-N 438.440 0.483 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2n(n1)CCC2 1797514706 FIZUVSGSEOZHHR-UPHUGPLXSA-N 426.517 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)ccc1OC 1801721133 SDSZHQPETIGNGS-KULPGCBOSA-N 431.464 0.896 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981022 MTCUUROMYDYNTB-FZKCQIBNSA-N 436.509 0.155 30 20 ICED 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[nH]c1)C2 1802127884 RYZYZBFGITXLHS-YYIAUSFCSA-N 431.493 0.530 30 20 ICED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1802306108 KXVMPXLGNWQAQG-FLXSYLCISA-N 446.573 0.608 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192451 VSDIRMFFESYHSN-VXNCWWDNSA-N 431.537 0.253 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811894204 SQQXKTDARKWKSR-ICSRJNTNSA-N 449.467 0.816 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)c(C)n2n1 1812877565 NHRHJXXJKDGRPT-KKSFZXQISA-N 447.455 0.544 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815209771 VDEHXTUWXQDABN-SFHVURJKSA-N 437.541 0.671 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)CCc4nc(N)n[nH]4)sc3C2)c1 1819558313 VDCYYGUNLVFVDA-SNVBAGLBSA-N 425.478 0.902 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821713985 QLWLOIWRGJTNTL-SWLSCSKDSA-N 425.511 0.899 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)cc1 1822163948 IQJILULUBAUOQJ-MGPUTAFESA-N 441.513 0.891 30 20 ICED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822379355 GMLLBXOGJDZMHG-OCCSQVGLSA-N 429.568 0.451 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1 1829632690 YCQXUXZZNGWFRH-AUSIDOKSSA-N 440.500 0.226 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3c(F)cccc31)CCO2 1830652500 DUSWNOQXJQEKBW-QFIPXVFZSA-N 443.431 0.325 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831387901 SSDPHMYRQUDORC-VGSWGCGISA-N 430.505 0.256 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831597128 DKSRRYBPWRCING-HXOBKFHXSA-N 442.516 0.459 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1832462555 NKWIVDLDJDFLQK-IIBYNOLFSA-N 434.562 0.890 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835617148 SHVDABBIPJMDDX-CRESJJQNSA-N 440.541 0.360 30 20 ICED NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752400 IDMBGWDDPKBYTJ-UHFFFAOYSA-N 432.565 0.522 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835881278 PBLAGLJMAKSEBV-BBATYDOGSA-N 437.547 0.662 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCCC1(F)F)CCO2 1836629596 KMWVCHGXADLPQF-ROUUACIJSA-N 432.395 0.448 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836672714 XYDKQMHLLBRFPM-NFBKMPQASA-N 434.581 0.459 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1837394995 NGGCFFIJIAPUBP-KKSFZXQISA-N 434.493 0.128 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443447 KONHKXJNCDQKOL-DUYDGHCJSA-N 430.509 0.327 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1837524782 MOAJERJWLJVDTN-FZWCNZJJSA-N 438.506 0.742 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837527219 YQSLCYJXFATUDA-WVMHDHGMSA-N 439.509 0.541 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527588 QHUYFJJXZDAVHT-YBTWFPHOSA-N 440.541 0.360 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530436 MRYJEEVOOXUHOK-IQFRNVLWSA-N 440.541 0.312 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837533319 ORAXJGPIUMIODA-CTJWEORCSA-N 427.473 0.864 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837640598 QAIKCQVNGJVUBD-VQKOGROQSA-N 429.473 0.322 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210653 WYJVQVFTBCKNMW-IIBYNOLFSA-N 441.525 0.295 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839224098 DVYYJGWSVZYOFW-KBXCAEBGSA-N 429.543 0.260 30 20 ICED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)COC1 1839777421 PJMDQZOOWHUWFL-MYRHLRDYSA-N 439.509 0.398 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1839810479 YZZMGUZDBSOKCT-HSZRJFAPSA-N 441.484 0.345 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840401462 RPBDISNHQCXDGD-WHBFPRCOSA-N 445.520 0.067 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818976 IFQSKDXENAMSSW-QFIPXVFZSA-N 439.472 0.441 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1844236292 FGNWLVQNCXAIGM-GJZGRUSLSA-N 425.526 0.649 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1847080802 CZQCQCBENFPABO-DOQJBMMISA-N 449.552 0.252 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12179169 KDKKDCMNWVAMED-UHFFFAOYSA-N 434.474 0.403 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-n3cnnn3)CC2)cc1 46917650 REUGCVULNLZKIQ-UHFFFAOYSA-N 429.487 0.742 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)C[C@H](C)C#N 409579096 VVUPEIAJMFMDLI-NVXWUHKLSA-N 426.539 0.501 30 20 ICED C=CCNC(=O)Cc1noc(CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 445348626 FBQKWEDYVWVIDE-UHFFFAOYSA-N 432.506 0.837 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C2CC2)n1 463644734 FNFBCACBFMANSV-UHFFFAOYSA-N 442.501 0.641 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c1C 464863719 YKQJXUGRHFYKJT-CQSZACIVSA-N 443.533 0.762 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC1 470809515 CTBBZNHMWQVYML-SESVDKBCSA-N 433.576 0.957 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 470991655 DZHNZUORRUGPGS-CZUORRHYSA-N 444.923 0.773 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 471022272 MPQJHJLVOWDYRJ-FQEVSTJZSA-N 446.983 0.755 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(CCC#N)CCN2CCOCC2)cc1 478842990 SQFRERYHLUFRQD-UHFFFAOYSA-N 436.534 0.632 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC1CCCCC1 505664985 UDKCSKSDDUGTBH-UHFFFAOYSA-N 443.573 0.798 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 506498666 GACCLEHLJBGTFR-UHFFFAOYSA-N 429.477 0.479 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 508254183 WLJUWJODJOOKBX-HNNXBMFYSA-N 445.505 0.316 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 522275313 FKHNDQKPBWARCW-UHFFFAOYSA-N 429.498 0.761 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 525888630 XPPPWSVODLNCEI-UHFFFAOYSA-N 447.499 0.567 30 20 ICED CCN(CC)C(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540473113 UUNAOTDJYZGQGQ-IBGZPJMESA-N 446.621 0.943 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 546156924 GMLFXIHWLSOJIE-CJNGLKHVSA-N 438.506 0.045 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O 551156783 VCZNXCDBTLKUEX-UHFFFAOYSA-N 430.509 0.968 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 551520023 WRCGYFSLYWGBQG-GOSISDBHSA-N 426.560 0.998 30 20 ICED COc1c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc(Cl)cc1C(N)=O 556563495 CCNNPPXMBOBXPA-UHFFFAOYSA-N 437.884 0.460 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 573643013 WUVIRSRKXUUFCL-GFCCVEGCSA-N 431.447 0.928 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 576833143 FQHLMJFYODHWKZ-UHFFFAOYSA-N 434.543 0.875 30 20 ICED Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4cncc(C#N)c4)CC3)C2=O)n(C)n1 581972202 AUEGQXUHPVKDPX-GOSISDBHSA-N 443.533 0.497 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 582929629 OPDYEXCZNOWZAG-TZIWHRDSSA-N 428.533 0.778 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)cc1 606030610 AWUBBRPFVABMFE-UHFFFAOYSA-N 431.493 0.934 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)nc1 608949914 FQMFYMCEPXQOSZ-UHFFFAOYSA-N 445.501 0.966 30 20 ICED CN(CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 609551411 CWNZEGRNSOHSGB-QGZVFWFLSA-N 436.559 0.745 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2-c2ccccc2Br)C1=O 727873484 DFVUKYSQSLUKGP-UHFFFAOYSA-N 449.221 0.445 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 733149200 AMMSEJYBIPGJFT-UHFFFAOYSA-N 430.530 0.661 30 20 ICED CC[C@@H](C#N)Oc1cc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)ccc1OC 733644675 GGLBPKADWIZISD-INIZCTEOSA-N 440.522 0.837 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CCC(N)=O)n1 735476428 DRXMCCVHOOWUKO-AWEZNQCLSA-N 432.506 0.850 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCOC1 749856996 SAZPLUSIEFIVAC-INIZCTEOSA-N 443.573 0.999 30 20 ICED C#CCN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)OC)CC1 750002206 AQACOCBPUJZKTB-UHFFFAOYSA-N 428.514 0.829 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ccccc4)n3)C2=O)cc1 753990351 LNFJCPYRULXHKB-SFHVURJKSA-N 429.440 0.995 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 755544890 GRKWDDRCBVTLTB-BBRMVZONSA-N 445.476 0.755 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@H](C#N)C1 756658365 JEAVPLOJIZOHGP-HUUCEWRRSA-N 447.496 0.622 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 760260898 GYVXNDYPOAJQER-UHFFFAOYSA-N 447.536 0.426 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 762549860 QXKUOAMAHJIDBC-ADSWHHSESA-N 449.533 0.565 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(N2CCCS2(=O)=O)c1 765221593 KMVDKQHRIVUURJ-UHFFFAOYSA-N 448.526 0.581 30 20 ICED CCCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC 771896653 FVBLCHLEDFDOMD-UHFFFAOYSA-N 438.506 0.974 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCC(C)(C)O)C1=O 774294661 FMBZKBHMIJRKHC-GICLCMKGSA-N 442.563 0.431 30 20 ICED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 807832057 IOJOTFBJEVTBJW-OAHLLOKOSA-N 428.493 0.585 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)[C@@H]1CCCO1 809313991 ZONMMSZJFIRMKX-SJORKVTESA-N 431.489 0.658 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 913242571 GSEAHEMUXTYSQZ-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916909736 UGUMJYAANALETR-HNNXBMFYSA-N 436.472 0.906 30 20 ICED C=CCn1nnn(CN2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1=S 919938139 VQQMGSWREQHYMO-UHFFFAOYSA-N 440.551 0.976 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1299315416 QBFQJCMXUQECEP-YJBOKZPZSA-N 436.469 0.782 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 1306849555 VTQIHHJMRSHDMZ-LJQANCHMSA-N 428.514 0.372 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(CN2CCC(O)CC2)cc1 1318517899 SYLNSCSXEXIWQG-QZQOTICOSA-N 427.505 0.969 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CC(C)CC(=O)N2CCC(C(=O)NCC#C)CC2)CC1 1321275356 PIBFCZYVZQDESD-UHFFFAOYSA-N 442.560 0.379 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 1340051629 TZRNBTYIWCHCJM-UHFFFAOYSA-N 447.561 0.616 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1456334282 LUSRWLMLUGRAMN-LJQANCHMSA-N 438.506 0.213 30 20 ICED CCS(=O)(=O)C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1468027019 LFEBHLXULLKZHR-UHFFFAOYSA-N 425.532 0.604 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1513922911 MXTPNSMIGGNCEB-GOSISDBHSA-N 436.520 0.280 30 20 ICED CS(=O)(=O)N1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1538002246 JUTZJXRDXWBKSJ-INIZCTEOSA-N 440.547 0.109 30 20 ICED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1554367285 NRBISSUNXBDDPS-UHFFFAOYSA-N 441.521 0.512 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1596831685 PMGSKZOOVNIFME-SIIHOXLZSA-N 426.543 0.368 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1643573760 VENGWOKNWTUCER-GOSISDBHSA-N 426.926 0.523 30 20 ICED CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692853077 MQYUWXVISYAYGT-HOTGVXAUSA-N 438.554 0.776 30 20 ICED CCc1cnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1708967497 KKGCFZYFLHCTNN-RYUDHWBXSA-N 425.540 0.684 30 20 ICED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1729590370 RKCIXYPSALQTRN-MRXNPFEDSA-N 441.517 0.902 30 20 ICED CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729841808 ZVHMUSZIWUVGPS-CVEARBPZSA-N 439.524 0.812 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC[S@@](=O)CC)CCOC1 1765913614 OUUKFGILLCXTJW-IEYFXREMSA-N 436.582 0.875 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1766682803 VNHKQIZZODXHQQ-INIZCTEOSA-N 432.506 0.203 30 20 ICED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1768441862 XFKBGGWRPHSGSN-UHFFFAOYSA-N 425.493 0.923 30 20 ICED CC(C)(C)c1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cn1 1778421278 WLCVALLQYSUHAG-VGOFRKELSA-N 428.489 0.990 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779019407 PCHSCFBQGXYSCT-GQBLCDNYSA-N 425.493 0.645 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104052 FKDGZEOZWONQRC-RCVICEBOSA-N 427.527 0.362 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105414 KCAVHMMATZGQFV-SFRQHRMHSA-N 432.477 0.567 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc[n+]([O-])cc5)C4)C3)c2c1 1779886033 AAQIRQNIUIBESE-QFIPXVFZSA-N 432.440 0.825 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1cc(=O)nc2cccnn12 1780038271 TXVJERDTIUAEID-WZONZLPQSA-N 435.484 0.630 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn(-c3cccnc3)c1)C2 1782010613 DVNMFJWDMJEGTA-XMSQKQJNSA-N 437.456 0.483 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782677229 VGBSSSHNXXKTSB-OAQYLSRUSA-N 441.419 0.715 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1[C@H]2COC[C@H]21 1782801673 RAUZJUNEJSZPOL-NCGMZSNXSA-N 435.521 0.922 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1783054102 CYQCIWNDAIDTCS-PGRDOPGGSA-N 443.504 0.707 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CN1 1783627961 JRNHQJHIHYLZQJ-AKDGEAGXSA-N 436.509 0.021 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784160891 PAOQEPJLGUDLAI-WDSOQIARSA-N 438.484 0.495 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784444116 DXRDXGKAJBRTLZ-UFYCRDLUSA-N 447.557 0.905 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)cc1 1785627134 FMTDMEYSPHUZOU-BJLQDIEVSA-N 436.468 0.793 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1788524950 UXQIMQXIYCLSLS-YVSFHVDLSA-N 429.454 0.459 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653210 XZGSCCLGJBLMOP-LKDLHRMNSA-N 425.526 0.902 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1788661187 FJDDCXCNAZAEAH-ZBGDBWPRSA-N 447.492 0.364 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789572908 CGAHCOHROLWRKP-MUGJNUQGSA-N 428.489 0.303 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1791439754 OKCWMJBRERETCS-MPGHIAIKSA-N 448.545 0.625 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791447213 ZUMQBVNNYHMLGX-KRWDZBQOSA-N 430.413 0.703 30 20 ICED 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](O)C1 1792451682 PWRPODQDOKMLDU-RIUYPTKQSA-N 436.509 0.108 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793361599 QFJKRIPWUGYROA-KMOPNRPKSA-N 430.505 0.381 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1794406713 ODTHQTBNKIXRON-JLVBRIDZSA-N 446.529 0.523 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)c1ccccc1 1795632335 IZKLTXLLEPZFDC-YWQQVWADSA-N 440.544 0.366 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CC2)CC1 1797281020 STNVCYWUANUMQB-HATOLVCRSA-N 445.564 0.213 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn2cccnc12 1797367718 IHACPMDAQDYTKD-KDPMZQQDSA-N 442.476 0.462 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797698019 FMXRZIUBNKOVPB-DFYYWFRZSA-N 443.504 0.234 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)no1 1797829558 VHAUHAFZWUPMPU-XEMDLRDOSA-N 437.456 0.488 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1Cl 1798590168 FCYSJNQJWPBPKU-DPIQGUFMSA-N 443.847 0.930 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(-c2ccccc2)n1 1798695872 QIDRJTVNTGQMFG-ROAZTASUSA-N 449.511 0.934 30 20 ICED 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)O)C2 1799322339 GYAGKISYVIQTQX-SIRPWMCASA-N 425.526 0.816 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)ccc1F 1799325357 BLADTLXXVOHBOT-HGKCTWBKSA-N 449.446 0.581 30 20 ICED Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)n1 1799325881 WAQVFPNWHABLMY-VPTLXERWSA-N 427.436 0.764 30 20 ICED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1799418925 JOSIEYMWHRWTKB-CLLJXQQHSA-N 428.474 0.603 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641105 KJSUEVQQYRMMIU-FZDIXFNVSA-N 433.530 0.637 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)c1 1799748703 QDBZVXKGVXWZNN-DRXBFXEBSA-N 442.369 0.579 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3cnccn3)C4)c2c1 1799883017 BHPMIQJHYUQDBJ-YVWYUNDQSA-N 431.456 0.670 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)C(=O)CC2 1799957747 QVNDGBODUYQZEY-NOOKGOPLSA-N 437.496 0.877 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800198679 NHYBDLCQPOUOCX-OPMZPASUSA-N 444.608 0.884 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C(=O)C(=O)O)c(O)n1 1801327102 PNBCKOUWWGKZIT-MUJYYYPQSA-N 444.488 0.701 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cncn2)c(C#N)c1 1801360004 MHIOYSVQDAVYQT-WMIGDMCZSA-N 438.488 0.552 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1806003297 OGWFBESOZWHDBX-HNNXBMFYSA-N 426.477 0.301 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CCC1 1807360134 OHKJTSDDDOHOCL-MAUKXSAKSA-N 446.471 0.826 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CCc3nc(N)n[nH]3)[C@@H]2c2cccnc2)c1 1810150645 FKFUMUZKUQSKTA-BEFAXECRSA-N 433.476 0.934 30 20 ICED CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810332798 ZVKDDLAQVOSWHU-SIKLNZKXSA-N 426.517 0.922 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1814062826 UPFXQLRVAQCTGG-PGRDOPGGSA-N 446.471 0.725 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1819846038 KATUBJISYAJWQL-LBPRGKRZSA-N 429.502 0.630 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968515 UWTHXDBMKKEQRG-AABGKKOBSA-N 437.581 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)c(O)c3)C2)C1 1829768637 CTXHSAFUVQWEQE-KSEXMQBYSA-N 443.500 0.629 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1830343088 NSLINPKOVVLFNA-ROUUACIJSA-N 436.553 0.708 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831478771 ZZRSJYWUJZRMPN-QHCPKHFHSA-N 442.516 0.851 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831485992 QESQQOZJQQOVSF-FPOVZHCZSA-N 442.626 0.035 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831487475 NQUBWOIMQBENAD-ICSRJNTNSA-N 429.583 0.120 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1832456334 MZRFWGICRPSALQ-OXQOHEQNSA-N 427.567 0.667 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832534995 PEPADLIYJQALJG-JOCHJYFZSA-N 440.456 0.043 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1833472979 FRHDYETUBHWUDN-MRXNPFEDSA-N 432.521 0.862 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1834377275 PHUFGQHOOPAWLC-SGCYSOCQSA-N 429.521 0.932 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(C#N)c1 1835345844 GDHOCRAFSFJITM-QHCPKHFHSA-N 438.484 0.870 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835675594 XTBUGGNJTDSOJZ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnoc2)CCO3)c1 1836534946 KHPFDEFCGLTDML-NRFANRHFSA-N 426.429 0.939 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1837403102 NMBSXPCAEUBBDI-WMZHIEFXSA-N 448.564 0.920 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837634408 UTHYSWMIIYPLAZ-UHFFFAOYSA-N 435.506 0.364 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 1838744486 SXRSZEGZYFVGRR-APWZRJJASA-N 449.548 0.989 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908946 CTDZIOPHASHVNI-OFNKIYASSA-N 442.516 0.933 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c(C#N)c1 1839131392 FIQLVOYSYKDHSU-QFIPXVFZSA-N 439.472 0.603 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2)C(=O)O 1839364237 UKZKLLMVJOJTHJ-FPIZWNAKSA-N 427.457 0.854 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1839420075 LZWSONNHGJVPKT-NRFANRHFSA-N 425.420 0.871 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839723891 WYSPJSBFHWKYGB-QFIPXVFZSA-N 439.472 0.359 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]13CCN(C(=O)OC(C)(C)C)C[C@H]1C3)CCO2 1840003249 FCJOCNMHXKWKQG-ZQMYSKGWSA-N 447.532 0.723 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818773 WRZODQRUDJPVKQ-VGOFRKELSA-N 431.489 0.676 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840818959 HRPUIHVMZMAJDF-HSZRJFAPSA-N 443.500 0.820 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840903906 MMFFPAMJVPXHBT-XMMPIXPASA-N 439.512 0.595 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)c1ccc(O)cc1 1841849034 QPUCCTLNMFKFLN-KRWDZBQOSA-N 438.484 0.644 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842883969 IBSQLSXFIBWCQY-QGZVFWFLSA-N 442.520 0.544 30 20 ICED COC1(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C1 1843847616 DUUVQTGTCILNIE-UHFFFAOYSA-N 435.477 0.304 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCO1 409493537 VZFJCOBYGUMPMR-VQTJNVASSA-N 447.561 0.264 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCO1 409515931 VJNVFDHNTFDNRE-IAGOWNOFSA-N 440.547 0.312 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 409555721 OMOUACAWBGZBLO-UHFFFAOYSA-N 436.581 0.598 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439093434 GQERBJUADZOFAW-UHFFFAOYSA-N 444.432 0.837 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC3CC3)CC2)c1 444065491 QIDVWNSYOQBZJE-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cc1noc(COc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)n1 446529750 KDIXXNQMVBZZTH-UHFFFAOYSA-N 442.476 0.970 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 460741078 ZQMWCMJRELQVNK-INIZCTEOSA-N 443.489 0.104 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463089085 CHMKGVRCHHUIOJ-JYBIWHBTSA-N 426.448 0.898 30 20 ICED COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471039778 HGIYJZJROQDRGA-KRWDZBQOSA-N 442.472 0.999 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 478860290 VDDWHUYNAKHHND-UHFFFAOYSA-N 440.573 0.736 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 480185978 VRZKDYHXPXRRLD-UKRRQHHQSA-N 428.536 0.155 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cn1 483457211 IJBBGEOBDXJRLP-ZDUSSCGKSA-N 434.478 0.975 30 20 ICED N#Cc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)s1 484431041 JOVFQGTZMXWXPO-UHFFFAOYSA-N 429.523 0.290 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)O1 490749825 DOZMOFIJQRYVCZ-HZPDHXFCSA-N 425.493 0.752 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 501763679 CXNBZKAHKBQQML-UHFFFAOYSA-N 447.538 0.286 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507641587 SAFAIIYBTUYSGH-ZBFHGGJFSA-N 445.505 0.302 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508860350 ZGWPNLSPNCABHF-MRXNPFEDSA-N 438.554 0.331 30 20 ICED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 516146795 ISPZXXCHZUKFOH-OAHLLOKOSA-N 428.532 0.951 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cs1 516375124 QDOGKMASEJVNKG-UHFFFAOYSA-N 443.598 0.977 30 20 ICED COC(=O)CN(CC#N)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 524836687 UWLLOXIALGDFQC-UHFFFAOYSA-N 448.457 0.100 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O)c1ccccc1 530893645 KKWGPLDSOHOURB-UHFFFAOYSA-N 449.517 0.494 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1 531409115 HUGRVWSHJAZTDA-SFHVURJKSA-N 436.424 0.888 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(N)=O)cc3)c2=O)n1 531655516 QVTDSBJOEZDDJG-UHFFFAOYSA-N 449.492 0.041 30 20 ICED C=CC[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 538219733 KYEVMBBKXNJOCI-CQSZACIVSA-N 428.507 0.639 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 539691389 DMPFWWGKPUIGQL-UHFFFAOYSA-N 439.538 0.140 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 542310963 YRKYSOORZAUEHC-UHFFFAOYSA-N 446.485 0.528 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCN3CCCCC3=O)C2=O)cc1 553280513 GWVVKVVGICPMIJ-SFHVURJKSA-N 425.489 0.294 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)nc1 555796002 DJIZIARAYGXDLO-UHFFFAOYSA-N 435.488 0.150 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 561006151 XLKJXRJZFZAOKR-ZWKOTPCHSA-N 426.521 0.801 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 561433604 ZRNUSBSLXLLEBB-UHFFFAOYSA-N 446.558 0.981 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 562885851 DYEMBNYBGDOSHY-UHFFFAOYSA-N 433.515 0.383 30 20 ICED N#Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cnc1C(F)(F)F 572384836 QAZFAALWSHKGLJ-UHFFFAOYSA-N 447.439 0.743 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574500412 CVEGPIBEBXBYTP-QZTJIDSGSA-N 434.518 0.769 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1CC 579280106 JMJHSNIJXFOMFN-UHFFFAOYSA-N 427.526 0.898 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)cc1 604680348 FNSSJMUUMSRPCR-MRXNPFEDSA-N 425.507 0.743 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCSC 611030115 FXTUEIHROJAZBO-UHFFFAOYSA-N 439.509 0.817 30 20 ICED COCc1noc(CN2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 614813418 FJZULAXIUDBWSR-UHFFFAOYSA-N 440.508 0.979 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729208647 NVMAPOTYUNPEKY-INIZCTEOSA-N 439.472 0.420 30 20 ICED N#C[C@@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1CCS(=O)(=O)CC1 732909566 CIMLEZGXCZHPKJ-INIZCTEOSA-N 442.497 0.702 30 20 ICED N#CCCN(C(=O)CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccccc1 733700575 ZJFJTSCAIABGOF-KRWDZBQOSA-N 430.486 0.679 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 742674703 ZQQDIACFAZQOLL-OLZOCXBDSA-N 427.548 0.928 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744007663 KTRJRIQGDNUERW-GFCCVEGCSA-N 432.483 0.880 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 747583534 YAISNQZZCDNZOK-ZEYQEJGOSA-N 427.505 0.695 30 20 ICED C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NC1(C#N)CCCCC1 753656073 WWCNIXPWDATLGZ-ZIAGYGMSSA-N 438.506 0.426 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@@]23CCOC3)CC1 764653810 NBXQRURVSSHXDZ-OXJNMPFZSA-N 433.486 0.361 30 20 ICED COCCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 770163412 IXTHNKCLQRTECZ-LLVKDONJSA-N 429.520 0.935 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CN(c2ncccn2)CCO1 774630137 RKNJBACMJSPSOR-GDBMZVCRSA-N 431.474 0.464 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)Nc1cnn(CC#N)c1 781984938 RPMVUFKKYRUYTA-UHFFFAOYSA-N 430.490 0.965 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783480277 IZPWDZSGRKCONH-KRWDZBQOSA-N 435.502 0.909 30 20 ICED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 784336383 IMNBSSRCCAUBER-MRXNPFEDSA-N 428.302 0.695 30 20 ICED CC(C)(C)OC(=O)CNC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 784957383 KDQZAUROKPRKBN-UHFFFAOYSA-N 425.463 0.116 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)n1 789788259 GEEFRMROHONNOA-UHFFFAOYSA-N 426.412 0.245 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1=O 800855941 KADCTYCRFALKEC-NRFANRHFSA-N 435.525 0.738 30 20 ICED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 806838780 NGCRXBQJIPVDDO-UHFFFAOYSA-N 431.474 0.673 30 20 ICED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 807835451 UEHLMQNRUFOCEY-CQSZACIVSA-N 445.524 0.232 30 20 ICED Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 810379034 NNXQLPHHOPEUKO-QAPCUYQASA-N 434.460 0.926 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)CCc2ccccc2)c1 811497724 COZPHKRBFDTQEG-UHFFFAOYSA-N 435.527 0.610 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OCO2 821735692 APPOYKAEEMJEKC-UHFFFAOYSA-N 431.426 0.313 30 20 ICED COCCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918271164 TXLHTTGENGKXCJ-PGMHBOJBSA-N 426.495 0.217 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 919318951 RNIDDABUQYROBO-UHFFFAOYSA-N 433.486 0.097 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1221625042 KBNRIWIQOQYTTR-KRWDZBQOSA-N 446.895 0.847 30 20 ICED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1359477463 YMTLJPYYWZLFGD-OAHLLOKOSA-N 425.493 0.909 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1518646880 RYHXDLZOQOFIRU-GOSISDBHSA-N 426.477 0.527 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1539574505 LXDBHKJMBNKXGC-GHMZBOCLSA-N 435.348 0.464 30 20 ICED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1552682243 XTCZJGJUVJXRRE-UHFFFAOYSA-N 439.520 0.980 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1587854591 YBRYPDRGIATSOD-MEDUHNTESA-N 432.424 0.895 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1612493122 LBOOLWULWVKIMD-MSOLQXFVSA-N 437.501 0.131 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1617869442 XRVKVXMAQDBLME-UHFFFAOYSA-N 445.549 0.914 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1618995811 ULZOYOHMXXQQOY-SJORKVTESA-N 438.554 0.776 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCN2C1=O 1711272956 WRKSLOTWADTYJF-KRWDZBQOSA-N 443.533 0.807 30 20 ICED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1728195257 MPOBNCPFJSLNHR-GJZGRUSLSA-N 441.558 0.266 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1746511149 OWIXNVYATDJHPO-UHFFFAOYSA-N 438.536 0.553 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766749738 GKEJKUBUSDFUGO-RYRZJZHYSA-N 444.565 0.927 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1=O 1769896064 GPHGERHLXVZHNM-OAQYLSRUSA-N 426.477 0.263 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1770741063 VDWIDLMTDLLGBZ-LJQANCHMSA-N 449.558 0.832 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778954919 QNOHRNSQERJWQM-NYHFZMIOSA-N 443.504 0.718 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061450 YNGZWEYGAZLMLX-HSZRJFAPSA-N 433.549 0.677 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779197943 RIVGAWJIESPMJD-RNKNFESXSA-N 427.498 0.156 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780427774 UUCDIGCCLQYDHT-OAQYLSRUSA-N 432.477 0.828 30 20 ICED O=C(Cn1nccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1780819874 HVNRMDWBNOQGBK-KVNURGGUSA-N 434.497 0.321 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1783574534 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C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1793360461 NIQFFOYXTLMVNY-GNBUJSLZSA-N 428.526 0.237 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793379882 FCAJVCHXLXOLTI-YALNPMBYSA-N 441.575 0.643 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795665978 XTDGNGIANJFHOL-ZSBFGKGUSA-N 427.486 0.879 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795847577 RBNHWPBTAKMVOL-CCWDJLKJSA-N 433.461 0.108 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797065980 WYWZLRNFIGKGPB-PDOICOKGSA-N 438.484 0.244 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797708102 DPGFQUGBROAHHE-LORHWOILSA-N 442.516 0.743 30 20 ICED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797812508 UQSOCSZRTMJTSK-XRTPRKOISA-N 429.539 0.264 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C(\C)NC(C)=O)c1 1800172947 HJDPBTPFNULPFW-YZXNQHHXSA-N 426.473 0.810 30 20 ICED C#CC(=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 1800454124 ZHKIDWRTUPPHOG-PDDMAZILSA-N 433.505 0.234 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(Br)n1)C2 1800778117 AVLRNIMEBMNIBV-YFKFIEJBSA-N 428.264 0.197 30 20 ICED 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(C)C)C2 1802124488 CLPNWAKAAMOKOU-ZMMAXQRCSA-N 437.537 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1802488423 WXUBUXPYPZDWAY-BDGDHSELSA-N 439.472 0.740 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@@H]1c1cccnc1 1804048235 NNSXMLHEMCJMAP-FZMZJTMJSA-N 445.325 0.531 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804190998 SOJTTYVPEBKLDI-BBRMVZONSA-N 439.394 0.758 30 20 ICED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C#N)c1 1808173594 SQJNLXDSMIJBEH-AGHHOFFYSA-N 436.516 0.496 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811540200 AJVOPQAODCRDQF-YJBOKZPZSA-N 438.444 0.144 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1812879163 QFLQDOAMHDAUEG-VFNWGFHPSA-N 439.428 0.501 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)[nH]n1 1814433723 DGMATCKCVAGNQW-LRPNZCEASA-N 428.493 0.786 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819454547 OVMCIJQJPAFFJQ-UIBRDTJHSA-N 431.453 0.807 30 20 ICED Cc1cc2nnc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)c(C)n2n1 1822200760 PNQCKSUEABBPBX-AWEZNQCLSA-N 436.432 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1823744600 XFECUOZIUFBRAX-SQYJXRJJSA-N 433.553 0.057 30 20 ICED CN1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)CC#N)C3)C2)C1 1829415645 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1834938547 YJXSAZBJCPAFNZ-JOCHJYFZSA-N 432.521 0.537 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1835095719 ABJVERXQJWHWSB-DEOSSOPVSA-N 436.512 0.779 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1F 1835097022 OYJTYPFNEXHEPQ-QFIPXVFZSA-N 426.448 0.979 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ccncc34)CC2)CC1 1835405076 GBZXKYYYVFIQMA-KRWDZBQOSA-N 438.532 0.953 30 20 ICED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)s1 1835842228 WJLYPFYTTPIUJK-OAQYLSRUSA-N 426.498 0.847 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394597 RKVUDWJFLLRNLK-AOMKIAJQSA-N 443.504 0.372 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684786 KPFJYQHHAZHALE-REWPJTCUSA-N 442.516 0.257 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1837223109 VRWZWRJMFIAXES-GHTZIAJQSA-N 432.477 0.544 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837393459 RTPYRXRUJKMTMK-PGRDOPGGSA-N 433.505 0.490 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1837394942 LVSLSNLDMABIIT-OPAMFIHVSA-N 448.520 0.030 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837398493 BWBGBNKIQGARAV-VGSWGCGISA-N 443.504 0.372 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837582322 RRNIGQSYNAYIHL-ZDUSSCGKSA-N 435.550 0.557 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837646378 WKDBPSVNJHNTDC-XBSIZZRFSA-N 444.492 0.083 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1838514552 HRVRJTKIJKPQMS-YGPNGPECSA-N 447.536 0.703 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734886 OOGQHLXEEAEEII-KSFYIVLOSA-N 438.488 0.852 30 20 ICED CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)OCC 1838742153 VFBVSALKUFQKNW-NRFANRHFSA-N 434.493 0.746 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838908818 WKVOVYWNYZEMAM-HSZRJFAPSA-N 436.468 0.972 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cc1O 1838950088 AVVSVAZYQBNODF-NRFANRHFSA-N 425.445 0.381 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412683 GMWDMSMJYLXNDM-QVKFZJNVSA-N 447.444 0.409 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1839421548 XLQXUGSHSYZXMC-OAQYLSRUSA-N 444.419 0.561 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581063 CIRFGJGSTZCZEV-AOMKIAJQSA-N 432.521 0.570 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1)C(F)(F)F 1839893780 PTDZKVXLNXBGEF-KRWDZBQOSA-N 432.399 0.617 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840159909 QKFONLBHRQBLAC-ZMZPIMSZSA-N 437.547 0.662 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(O)c1OC 1840163490 IYOBWRSKIYQFCJ-RBZFPXEDSA-N 440.518 0.798 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1840168033 CSLGSNHLCFBHCL-QFIPXVFZSA-N 425.489 0.911 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840174387 AGZITVIBSPYBIK-HRAATJIYSA-N 441.525 0.295 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3NC(C)=O)CCO2)C1 1840723124 OBIMCWUAEXSMTJ-HXOBKFHXSA-N 443.500 0.753 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840820997 VAESPMRRRULIJQ-AUSIDOKSSA-N 443.500 0.820 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1841598151 QDMUPUJFQMWWGE-LMMKCTJWSA-N 427.501 0.408 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CCN3C(=O)C=CC3=O)C4)c2c1 1845581004 QTTLLQQLGWBXDW-UHFFFAOYSA-N 432.440 0.567 30 20 ICED Cc1nn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(=O)c(C#N)c1C 27944947 MAMQBODWPVSOPR-LJQANCHMSA-N 437.456 0.243 30 20 ICED CCCS(=O)(=O)NC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 30137258 YIELRXNDMDWDPD-UHFFFAOYSA-N 438.554 0.297 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 32684341 MLSVBASDUXXSTB-UKRRQHHQSA-N 444.435 0.848 30 20 ICED CN1C(=O)C(/C(N)=N/OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)=C(N)C12CCCC2 109086930 LYWIODMSAJQIIM-UHFFFAOYSA-N 435.506 0.315 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 410412983 HFNHYHCDNZDTRM-PBHICJAKSA-N 425.559 0.523 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 427435403 NZBVIKGOBCYNMX-UHFFFAOYSA-N 434.396 0.445 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 430379100 NSPBZSSLJUDQJU-MAUKXSAKSA-N 439.509 0.756 30 20 ICED CN(C)C[C@@H](O)COc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 438789661 BMFPBYRJNFFVHE-MRXNPFEDSA-N 428.493 1.388 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 460608404 KXPJBEJXFXJBHY-KRWDZBQOSA-N 425.493 0.955 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 465418758 DEDYYUVXLADFDK-NEPJUHHUSA-N 430.433 0.932 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 470403382 GSOSNWCUGLLMFP-HYVNUMGLSA-N 425.507 0.097 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 472170624 IMCIEZXJTWRGHF-SFHVURJKSA-N 448.593 0.681 30 20 ICED Cn1ncc2c(=O)n(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cnc21 481842558 AQHVDHALHJLGQO-UHFFFAOYSA-N 434.416 0.598 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482190136 AKWMGKOFYHJPOK-LBPRGKRZSA-N 428.474 0.907 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 482195034 ZICZYXVSORGWQJ-OAHLLOKOSA-N 441.513 0.673 30 20 ICED COC(=O)CCN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1 487178086 FZIBOXFKGFGHPV-LPHOPBHVSA-N 427.505 0.938 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)C2=O)cc1 488627823 MARJNUWJXHTLLU-IBGZPJMESA-N 446.467 0.944 30 20 ICED CC#CCCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 498575960 HTQMGPCKKHKELO-IBGZPJMESA-N 435.546 0.992 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 500581410 WHYYCUDPDFTBRM-UHFFFAOYSA-N 449.559 0.461 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 501499074 CYZIGIHVEZBWCN-NSHDSACASA-N 434.440 0.811 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 505604355 FCEKZKANPILXSB-UHFFFAOYSA-N 434.478 0.557 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 507367627 LTWLOFQGWDHBIN-OAHLLOKOSA-N 446.533 0.769 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508511543 VBJIAVLUWIIDKL-UHFFFAOYSA-N 443.533 0.985 30 20 ICED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 513011462 OPUUXALIZKNDMS-UHFFFAOYSA-N 434.500 0.663 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2F)c1 513640597 PSBCLOMMMGESNG-UHFFFAOYSA-N 439.447 0.763 30 20 ICED COC(=O)CN(CC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 523130045 GUJOENLFMHWOCW-UHFFFAOYSA-N 425.463 0.432 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3OCC)CC2)C1=O 523705784 IRVBCNHRUOLPQJ-UHFFFAOYSA-N 428.445 0.347 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 524746906 OXYKGANFSRXLBB-CYBMUJFWSA-N 430.486 0.065 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CC(N)=O)c1=O 531938455 JAECIARUGDTPKO-UHFFFAOYSA-N 443.481 0.990 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1C#N 556031110 VFHTUFPPTHEMDZ-UHFFFAOYSA-N 447.561 0.859 30 20 ICED Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)Cn2cnc(C#N)n2)c1 557774204 HCNDSCCJACZVRQ-UHFFFAOYSA-N 427.284 0.315 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 582377283 AHKZEBBTONDELC-UHFFFAOYSA-N 448.589 0.817 30 20 ICED COc1cc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(OC)c1OC 583697915 CISSNYVIXGPTLG-UHFFFAOYSA-N 439.472 0.944 30 20 ICED N#CC1(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 584446841 AYNOEVPLRPJYBB-UHFFFAOYSA-N 449.533 0.969 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 587216457 WHLHNPREFFUVPB-MRXNPFEDSA-N 430.509 0.299 30 20 ICED N#CCCN(C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccc(Cl)c1 609204047 KGHZRNAPEOCJMS-UHFFFAOYSA-N 445.907 0.880 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)C[C@@H](C)O1 615628588 BMCCJIUWPGURED-LPMFXHHGSA-N 438.481 0.887 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1CC(N)=O 677235149 NVXLWCXCGOCAQA-UHFFFAOYSA-N 439.415 0.864 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)ncn1 732911571 AXUHZBPKBMXPHH-HNNXBMFYSA-N 428.518 0.863 30 20 ICED CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC 733227660 CIHKKQDXYMCFOM-AWEZNQCLSA-N 440.460 0.440 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 735567602 LPXXIELHZSFJGS-USCXLKSCSA-N 437.522 0.868 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742671772 YLXXHFGWFOXPAK-IAGOWNOFSA-N 435.594 0.894 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 749708330 XMERUTIGLCJBOQ-KRWDZBQOSA-N 430.505 0.323 30 20 ICED CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749745241 SNXCDFNLTIPFRM-BXJMQORWSA-N 442.563 0.667 30 20 ICED Cn1c(N)c(C=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O 749814213 LWIGPSYIEMMGEM-UHFFFAOYSA-N 435.491 0.370 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 751091209 ZIWWPDZNBNLRKM-FOCLMDBBSA-N 437.430 0.065 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 758077009 LEUUXRJQJMTEQW-CQSZACIVSA-N 437.521 0.903 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 758354936 USYZBCZTTPTINR-CVEARBPZSA-N 443.508 0.771 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 761024543 PJAYWLHFDHYGDF-CQSZACIVSA-N 443.367 0.712 30 20 ICED C[C@H](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)/N=C1/NS(=O)(=O)c2ccccc21 761404147 ATSULDPPXYQKKZ-GFCCVEGCSA-N 434.430 0.817 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 767194549 RUNKYVZXPUGZIM-CQSZACIVSA-N 440.522 0.571 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 767679864 NVGOPANPCBMHKC-GFCCVEGCSA-N 441.487 0.812 30 20 ICED CN(CCC#N)c1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 769463613 RLMGOKGHBWVMFF-IBGZPJMESA-N 433.578 0.457 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCCC#Cc1ccc(CN2CCOCC2)cc1 770860681 RZPGBRVGOMKLTF-JOCHJYFZSA-N 441.528 0.931 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cscc2Cl)c1=O 771913573 KLFRLBBJUOAJJK-NSHDSACASA-N 441.962 0.925 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 787342096 NEIRNJZIXDQFBB-UHFFFAOYSA-N 432.424 0.852 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 797762514 SUMWJXJPEYKVIY-MRXNPFEDSA-N 446.909 0.835 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 804104917 OHNOFDPLFDMXCL-HOTGVXAUSA-N 436.306 0.982 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(O)cc(C#N)c2)CC1 811188550 NYGZVVSUFBXBCB-UHFFFAOYSA-N 448.457 0.559 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 814180874 RJWRXTIIQMANLM-MAUKXSAKSA-N 446.529 0.377 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)c1 816745036 MBPBKLDCZZMBGU-ICSRJNTNSA-N 448.589 0.905 30 20 ICED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1144923930 YRUUHUYCGVVDJM-DLBZAZTESA-N 435.502 0.341 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1305121165 YPMLNOJCUDMPJG-OAHLLOKOSA-N 437.504 0.922 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCOCC1 1305785138 HZGMAHXNOSOOKW-SFHVURJKSA-N 445.568 0.915 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1315053870 NRBDHIIVIILHPP-UHFFFAOYSA-N 447.503 0.981 30 20 ICED CC(C)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1318049835 UEYQQXUZXMPMRL-MDZRGWNJSA-N 447.513 0.782 30 20 ICED Cc1cc(NC(=O)CN(CCC#N)CCN2CCOCC2)n([C@H]2CCS(=O)(=O)C2)n1 1319078498 OXVVTEHYNPPLNQ-KRWDZBQOSA-N 438.554 0.038 30 20 ICED CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1360715632 WXZJFUACGUCORW-CAOSSQGBSA-N 426.543 0.678 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c(=O)nc1O 1467666805 OATXVSSZTMXPPN-QGZVFWFLSA-N 446.895 0.847 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(F)cc3)C2=O)cc1 1467707634 QUZVPZKIOXYEFE-SFHVURJKSA-N 430.461 0.893 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CCO1 1517545973 OTTQTWUDJXBLSM-QAPCUYQASA-N 428.493 0.962 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1611687255 UUBFXWSIAPNTNG-XKQJLSEDSA-N 445.590 0.768 30 20 ICED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1618278439 UFNFGQZOSWZADG-OLZOCXBDSA-N 436.460 0.403 30 20 ICED COc1ccc(N2C[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1632494182 WYPAQAQIYPKANU-HNNXBMFYSA-N 428.470 0.767 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2=O)ccc1Br 1633613073 RLKDKWXJGLZNMD-CQSZACIVSA-N 446.261 0.813 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1640509401 PVZRCTGDDLLXMI-UHFFFAOYSA-N 449.577 0.473 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1741924036 SHAUWVIKJOFMBM-RDTXWAMCSA-N 443.549 0.441 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1763202027 WZWAURMHLLPLHG-KRWDZBQOSA-N 443.533 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778011033 WLMVIHJVOMAFJX-AUUYWEPGSA-N 444.479 0.892 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779062070 CCIXLHDJDIZWBC-QFIPXVFZSA-N 446.479 0.925 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779065569 XEGXDRWBUWTTSX-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779102021 AMLCMPKYLFDSRB-MKNUTXPLSA-N 442.476 0.702 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963703 LXZYWKVVCWJYNN-SZNDQCEHSA-N 431.468 0.848 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5CCOCC5)CCO4)C3)c2c1 1782194897 PQNPACYFBHDNAM-QFIPXVFZSA-N 438.488 0.210 30 20 ICED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783522138 VTRSRZKWBVZWQV-QEBSUHJSSA-N 435.554 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C[C@@H]21 1783528573 XECORINXXQEOSN-KDBRPITMSA-N 447.532 0.414 30 20 ICED COC(=O)c1ccccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784205599 OQIUCUPTAZAOCT-WDSOQIARSA-N 442.468 0.474 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1785593917 IRTBUGHTIBWOOV-LGFFLQIISA-N 436.553 0.881 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)CC1 1786693988 BERIIDFRLRVTBT-HPZZRFSDSA-N 441.488 0.276 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)ccc1F 1787088325 IFJLVIFDKVLNON-IEZWGBDMSA-N 426.452 0.511 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787911459 NKOKQEKARXIAES-OWSLCNJRSA-N 440.504 0.373 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247359 RYLYBUKBZZLOIX-LRSLUSHPSA-N 446.592 0.899 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788678212 QXFLSJNCMBGNNH-YNAVOYIISA-N 427.404 0.788 30 20 ICED CCOC(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1F 1789229727 YFLKZEBUTDIVFU-JQFCIGGWSA-N 446.431 0.684 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3)[C@H]2C1 1791560508 YBIHNAKEZUTYFL-CXLTZZKYSA-N 429.521 0.501 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793228414 WBMYQYWRGRNYMI-RDPOXOKHSA-N 427.501 0.387 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1793321196 CXDJFFLZEGXQBT-DEYWJSPQSA-N 433.530 0.952 30 20 ICED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n[nH]1 1794560796 FYLUZGYYFIJCIT-HBCWATKFSA-N 447.455 0.877 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796640264 JBAMDKGWBLJNEV-GRHUKYIQSA-N 431.518 0.477 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1 1797478135 GDUIHWHYUUDCFC-UWOAMFNOSA-N 427.465 0.905 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797587299 IFUKKSVLCPEFAN-ZMMAXQRCSA-N 430.461 0.134 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797741288 YYZUECKXALJEHT-ZPDXMYDXSA-N 443.430 0.498 30 20 ICED N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)c1ccccn1 1797783393 ORDMISGCMYDDBL-HRQSHJORSA-N 426.517 0.370 30 20 ICED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811304 KUBQNTWVPZWIEP-YGLWEKIVSA-N 436.465 0.553 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c(C)nn(C)c1C 1801376410 LASFGPOJZWDAEZ-OIQBNGKOSA-N 429.521 0.027 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2C)n[nH]1 1820952469 DLVCAWACTWKGOI-PCOVPTDHSA-N 428.493 0.881 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN(CCO)CCO)CC3)cc1 1822171640 RIPZFOJWNIKMGA-INIZCTEOSA-N 443.529 0.527 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823578350 OSMQBBNKSMLPLB-DYTQJMLRSA-N 442.453 0.913 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1829860010 MQYOUXNAMGLNCC-KNBMTAEXSA-N 426.514 0.158 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1830464952 YTPVWVKAKJYNJC-QHCPKHFHSA-N 425.485 0.926 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830757000 OHDYDKPKZWTLPV-KADOOAIWSA-N 435.569 0.399 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)CCO2 1830999008 SOKJBRKMZZXSLQ-GSHUGGBRSA-N 435.521 0.769 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831201562 RUURVOKONUYLJA-HSZRJFAPSA-N 442.516 0.935 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831392884 PVZPQPMNTKUUOA-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1831396502 NCNBTLUHKSKKOZ-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1831397132 UPYVWCTYDFMEHR-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@H](C)CC)CCO2 1831519217 XZMUGZJOYRWCDR-FPDPHYFHSA-N 426.510 0.359 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1833468790 WKKOQKOYAUBZCL-INIZCTEOSA-N 437.610 0.080 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)c(O)n1 1833698867 OQDXEHISGIUEQD-OPAMFIHVSA-N 432.521 0.571 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)c1F 1833702508 ADAMFQWLFWIIBH-QFBILLFUSA-N 428.530 0.892 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)c1F 1833738458 ARVJBKCBDWDMNI-XOBRGWDASA-N 439.488 0.982 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834005893 DQJLQNWSVVBVFY-QHCPKHFHSA-N 427.501 0.850 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1834604370 VLYDGJGVKKWIJH-SUMWQHHRSA-N 434.566 0.664 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1835356797 MGCBVPCSUKYUOE-OAQYLSRUSA-N 428.445 0.391 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cccnc3)CCO2)C1 1835685583 PAAGCKNTSFULIH-JBYIUTFZSA-N 432.521 0.930 30 20 ICED Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)sc2nccnc12 1835873931 KHKPYISUQCKMAU-NRFANRHFSA-N 441.513 0.757 30 20 ICED Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440744 WPSVJSRBAGQKDQ-DGEAWOGYSA-N 443.548 0.861 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837527732 UIOOZGAXOCLPOQ-XTSMJKTBSA-N 449.508 0.571 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837588973 MKEILYQPSFBIIP-OAQYLSRUSA-N 434.493 0.226 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)cc1 1837630335 QRIXLNFTJMLQHL-HSZRJFAPSA-N 449.467 0.662 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924064 HCHYPZBSNGJSEG-YWZLYKJASA-N 438.912 0.773 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838460132 GHXNTWGLFXJRGI-SBUREZEXSA-N 438.484 0.738 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188256 ULLKOGWKUQXYEG-NYHFZMIOSA-N 446.479 0.221 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839225038 VYBALHRELWETOV-VLIAUNLRSA-N 436.465 0.364 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667970 SOILGZBDJIJUTN-IEGUWTFLSA-N 444.532 0.869 30 20 ICED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2ccccc21 1840042079 YWPCSOLSSRQNAA-JOCHJYFZSA-N 440.456 0.214 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)cc1Cl)CCO2 1840110392 JWHCNMMMJQLRFT-XAFBZQIESA-N 448.859 0.603 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840161492 REUAZZRSNOTZCZ-UTXAPGEGSA-N 437.518 0.227 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840168361 HYSGJIUUKDZQJZ-JOCHJYFZSA-N 441.488 0.205 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380444 APDOJBWRPKTCLN-HBRDKIMXSA-N 448.505 0.065 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1O)CCO2 1840666474 AGVLDAKCQWRLTI-KSEXMQBYSA-N 443.500 0.629 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC3CC3)cc1)CCO2 1840749749 RAYQPYHXEXNHHI-HSZRJFAPSA-N 442.468 0.633 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)CCC1 1840815422 PNZFSXRYGQOCLE-QFIPXVFZSA-N 426.473 0.549 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313319 IRENLSWBXUXXSN-YJCKXXIQSA-N 434.493 0.788 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C[C@@H](F)C1 1846195547 BUEJORUYIJPDGM-LSDHHAIUSA-N 437.468 0.873 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)c1cccnc1 1847681835 HFARPBAWUYTLKO-BXWFABGCSA-N 442.472 0.937 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1847806170 RPCKKLOVBVSNDP-VSZNYVQBSA-N 435.521 0.862 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1=S 36823869 JETKPDFCSFPNSX-GJZGRUSLSA-N 430.600 0.838 30 20 ICED CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409481542 AWSJELBZACSPGH-SFHVURJKSA-N 437.522 0.111 30 20 ICED Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 427119872 NMVFSBXVWHALRW-UHFFFAOYSA-N 435.487 0.183 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 434576813 RYESVAIWUNBODP-HIFRSBDPSA-N 436.394 1.548 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 435201337 GIRMIQCNZQAYNZ-KRWDZBQOSA-N 449.533 0.959 30 20 ICED N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3(C#N)CCC3)c2=O)c1 438865098 FROBGCVUIFTUHI-UHFFFAOYSA-N 432.505 0.932 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)c3c(F)cccc3F)n2)cc1 440676402 RQMBWISUSJVJNS-INIZCTEOSA-N 426.383 1.265 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 465393835 BLEGGAAGVNBINE-OKILXGFUSA-N 446.526 0.358 30 20 ICED N#CCC1(O)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 476821798 RCTDZABEGRAVLT-LBPRGKRZSA-N 448.423 0.105 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 478991728 SLMAZQWJSKRCGL-KRWDZBQOSA-N 425.507 0.795 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480946112 AWGBOLWFAGQEMT-ZDUSSCGKSA-N 442.472 0.739 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@@H](CC)C(=O)N2CCOCC2)c(C#N)cn1CCOC 481488808 GQJCDRLRGIUGCK-HNNXBMFYSA-N 435.481 0.942 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 500718293 LDEZXQKYPPJJJE-BMLIUANNSA-N 434.250 0.754 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2cccnc2)CC1 501188054 KFNIDFABNPWDBR-UHFFFAOYSA-N 442.501 0.399 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC2)cc1 505722467 FVXCSWURALMYGP-LJQANCHMSA-N 438.550 0.748 30 20 ICED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NCCn3cnc(C#N)n3)ccc21 508337204 CATZGEYYZHLFOI-UHFFFAOYSA-N 436.476 0.728 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512963909 KCZGMFSOYDFHGJ-UHFFFAOYSA-N 434.453 0.315 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 513977909 BGFKIVPKIFBBLF-PMAPCBKXSA-N 425.533 0.805 30 20 ICED C[C@]1(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 517205710 HJSHQGJBMXIJHE-HXUWFJFHSA-N 441.469 0.208 30 20 ICED COC(=O)CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 520861473 MIDPZWRCHSSAKF-UHFFFAOYSA-N 444.469 0.768 30 20 ICED CCOC(=O)C=c1sc(=Cc2ccc(F)c(C#N)c2)c(=O)n1CC(=O)N(CC)CC 534481400 DPIRMLUHYQVYCP-UHFFFAOYSA-N 431.489 0.961 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)n1 538073193 NIMVIPIIVQBPGP-UHFFFAOYSA-N 432.506 0.684 30 20 ICED CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 538269691 QBZWMWDSDAFTIK-LJQANCHMSA-N 446.621 0.943 30 20 ICED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 540798755 SKEWUBVERONYEB-UHFFFAOYSA-N 425.507 0.523 30 20 ICED COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 542267025 PIQUEGVXPSJGKD-GFCCVEGCSA-N 446.445 0.942 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3CCNC3=O)CC2)n1 546199215 KLYWBDZYPQYIHV-UHFFFAOYSA-N 433.472 0.766 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1 549960181 OPYFNIBJWSKHOD-UHFFFAOYSA-N 440.548 0.753 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 555244175 CPSUFMCGXYRQPI-SFHVURJKSA-N 447.584 0.753 30 20 ICED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 555896346 NBSHAOKQCBCZNF-UYAOXDASSA-N 432.484 0.548 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 556270072 WZLZTYSGPDJFRD-UHFFFAOYSA-N 436.534 0.716 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 557475047 WKJDUAUMJBLERX-XJKSGUPXSA-N 443.485 0.399 30 20 ICED CNC(=O)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 566031263 DWOSSQAZZKKTSK-GOSISDBHSA-N 425.489 0.150 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 579261604 UDPYNPIXRDCPHX-INIZCTEOSA-N 443.485 0.822 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1=O 590428268 GKORXKJWSKBXBY-OAHLLOKOSA-N 427.461 0.299 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(OCC(N)=O)c3)CC2)cc1 603658376 QVGKKCNPPGGZIX-UHFFFAOYSA-N 443.485 0.961 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1 729281444 AXVIKHQDMPRDMX-UHFFFAOYSA-N 434.562 0.613 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CNC1=O 731008796 RZDDJAZHFFXGNF-AWEZNQCLSA-N 435.506 0.198 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCc1ccccn1 732563417 YMPVKFJRGZJPFY-UHFFFAOYSA-N 434.525 0.569 30 20 ICED N#Cc1ccc(-n2nccc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 733114946 VXABZRWFOGGDLZ-HNNXBMFYSA-N 426.458 0.848 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCCc2c1cnn2CCO)/N=C1/NS(=O)(=O)c2ccccc21 743310054 WTJDAWOOPATHBD-CZUORRHYSA-N 431.518 0.886 30 20 ICED Cn1cc(N2CCC[C@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)cn1 744573065 XIEQWHRMUYIXGR-KRWDZBQOSA-N 431.474 0.964 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccon2)C1=O 747454675 VSQNQODIACTRQT-SHUBJWRZSA-N 437.503 0.458 30 20 ICED Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 753482144 WHFPBJXGADAGSD-UHFFFAOYSA-N 428.470 0.952 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C#N)C1 754380247 PSUXWHGGIUDGCS-MSOLQXFVSA-N 449.552 0.671 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCOC 755626938 GLIKGOIRWFVXGI-UHFFFAOYSA-N 445.589 0.834 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccncn1 760356521 HWSQTVCBIGVWDO-KRWDZBQOSA-N 427.486 0.966 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cccc(OC)c1 763445577 KGOBLXKNVSUHNB-UHFFFAOYSA-N 438.509 0.512 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 769887500 WCDISRAFTHCNCI-UHFFFAOYSA-N 435.509 0.178 30 20 ICED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C4CC4)c3=O)ccc21 774537652 QBCGOTZVBGPNNU-UHFFFAOYSA-N 434.521 0.935 30 20 ICED COCc1noc(CN2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 780608340 NVXKAOHGTQGMSV-GJZGRUSLSA-N 449.512 0.802 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC3(C#N)CCOCC3)ccc2F)CC1 800923797 UYCFFONTIVIEML-UHFFFAOYSA-N 438.481 0.481 30 20 ICED C=CC[C@@H](CO)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801182641 QFOXXFWHOLMHBL-OAHLLOKOSA-N 427.498 0.593 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCc2ccc(Br)cc2C#N)n(C)c1=O 805340228 CBDXXRBNYDXWNY-UHFFFAOYSA-N 432.234 0.811 30 20 ICED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808038086 NWHMYQZALYCTPL-IRXDYDNUSA-N 442.520 0.975 30 20 ICED CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 839292817 MQXLNASQFBBSBF-UHFFFAOYSA-N 437.481 0.576 30 20 ICED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc(-n2cnnn2)c1 916331127 FQWAECALQCCYQC-UHFFFAOYSA-N 441.521 0.830 30 20 ICED COc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 918331376 IPBHUNAYDZSLQR-UHFFFAOYSA-N 433.486 0.811 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4c3COC4=O)CC2)cc1 918743184 UOFUKEGPDMIKLG-UHFFFAOYSA-N 447.494 0.924 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)cc2)CC1 919665597 CZWSBTUNZWCFTO-LJQANCHMSA-N 446.529 0.921 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)C2=O)cc1 1324563360 IITNLKAQLHKJGL-PKOBYXMFSA-N 448.483 0.966 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)c1 1505122131 PCWCHNJHQPJYPZ-HNAYVOBHSA-N 433.490 0.229 30 20 ICED CS(=O)(=O)CCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505130456 IUMCUSFTKDMFMJ-SFHVURJKSA-N 429.550 0.875 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635270862 ZZZRUVLJZFRTTD-OAHLLOKOSA-N 438.506 0.589 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCCC1 1692763342 NKCCAVUKTYUZGZ-KGLIPLIRSA-N 446.599 0.984 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1697011582 PXGHRVNSJSGMCF-INIZCTEOSA-N 443.533 0.713 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722483640 IKSWBVYAVHHUPW-LBPRGKRZSA-N 447.359 0.656 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1751096741 WZELXGXWLBVYSR-HYVNUMGLSA-N 439.586 0.690 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1766370660 KISZBBXMVMNTLS-UHFFFAOYSA-N 425.493 0.590 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1769197019 YLNLDFGVWOUTGZ-GOSISDBHSA-N 437.504 0.638 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779008330 PVHWUSMLDFHXSF-HXOBKFHXSA-N 427.501 0.884 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779019405 PAODYWWUFGRLPP-MMXTWKRJSA-N 434.415 0.394 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1Cl 1779093742 ISOIOPAARAGRMS-FPOVZHCZSA-N 448.907 0.306 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1779102286 GOLDPSYYMKMZJQ-UAOQYHQXSA-N 433.465 0.458 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779105915 HNQJDNNOKIZMNO-GEEYGDQWSA-N 447.492 0.638 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181739 NVTPKSAYASRJEU-IFXJQAMLSA-N 437.447 0.636 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1840042923 WPOLNPYWGJVMKW-KRWDZBQOSA-N 430.335 0.456 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840076091 RIPONAYVNTUZAL-OAQYLSRUSA-N 441.525 0.062 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840165574 CEOSXAKRDPZTID-ORAYPTAESA-N 439.490 0.992 30 20 ICED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCN1 1840229115 ZFQPMXKYBLDFFI-XXBNENTESA-N 425.485 0.021 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840537577 GKTZMVWMQLAMBD-HTAPYJJXSA-N 429.473 0.673 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840820796 JZEQZDKULLTJHH-QFIPXVFZSA-N 427.457 0.373 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1840845000 YNRVEZACRWJXGF-HSZRJFAPSA-N 428.485 0.886 30 20 ICED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846248716 HONGNAWJYMDJAN-INKLHFNDSA-N 441.525 0.789 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)ncn1)C2 1847069235 KHXFKYUICSOHJV-AWEZNQCLSA-N 429.477 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1ccccn1 1847262584 YBZWBVPCVCCDFT-YLXIYQBKSA-N 425.489 0.260 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@H](C)O1 428850933 PHVZSBFAVIALQW-ROUUACIJSA-N 447.540 0.599 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 431506128 FVGBLNYXDVNLJC-UHFFFAOYSA-N 428.898 0.661 30 20 ICED COC(=O)CCN1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1=O 433880532 AVCOFLDJWZMVJX-ZDUSSCGKSA-N 430.280 0.763 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)n1 439350752 MYSHBIKTKHKHEK-UHFFFAOYSA-N 448.281 1.529 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)c1 444519790 HYZIFKZXOFKGHZ-INIZCTEOSA-N 426.433 0.674 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCN1CC(F)F 460732049 ZDZYAHHFYIRYBV-HNNXBMFYSA-N 431.447 1.574 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 463343690 GNKUVWKFWWZDOD-UHFFFAOYSA-N 427.504 0.398 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)CC2)c1C#N 471836083 IGZZBFRUKJYSKY-ZDUSSCGKSA-N 431.522 0.840 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(OCCN(C)C)cc3)CC2)c1C#N 472871338 FQQVFTQXMQFJGW-UHFFFAOYSA-N 439.520 0.828 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 473792521 YKQWYGTWWFVVCY-UHFFFAOYSA-N 448.439 0.807 30 20 ICED COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(N)=O 480489319 VIIHFHNJTZBLFD-ZDUSSCGKSA-N 446.485 0.414 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccon1 480924345 CGZHLLCTHPJLBX-UHFFFAOYSA-N 438.509 0.910 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 481044136 HQRNORTWSWTMQP-ROUUACIJSA-N 430.530 0.633 30 20 ICED COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 490844862 FKSXXJIDPZMANU-UHFFFAOYSA-N 447.455 0.691 30 20 ICED COCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 500316093 PODQQTSGOJUJCM-UHFFFAOYSA-N 434.518 0.276 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 507396075 CIZRGRHTQLKJEA-MRXNPFEDSA-N 442.451 0.917 30 20 ICED C=CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@H]1CCS(=O)(=O)C1 516252157 NWPAPBQEMZPEOK-HNNXBMFYSA-N 445.563 0.081 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 518243307 ICUMAPFUDUIZHD-PMACEKPBSA-N 431.489 0.865 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 524559397 INRPRMGOGYZZOA-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533515337 YKJYBWUYZYSYOD-OAHLLOKOSA-N 449.533 0.332 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1C 534932294 ZYVKXVOIQPPRQS-UHFFFAOYSA-N 446.471 0.908 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)C1=O 535095109 JVOJRZQPHWBTLU-QZTJIDSGSA-N 433.553 0.759 30 20 ICED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 537663656 HRQOIGFQZKXNAK-UHFFFAOYSA-N 425.445 0.826 30 20 ICED C[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@@H]1C1CC1 544176581 XGBOOFKWSDRNBB-NHCUHLMSSA-N 432.546 0.938 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550487030 WIUHGBYQBNHZAG-UHFFFAOYSA-N 436.472 0.503 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)c2nccs2)CC1 552869672 RNOKAZSCIMWKNE-SFHVURJKSA-N 427.530 0.795 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 556327185 TXFYXVVVUKSTLU-QGZVFWFLSA-N 443.485 0.621 30 20 ICED COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)nn2)cc1 558523691 DYXZFMNZRRABRZ-UHFFFAOYSA-N 443.427 0.983 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 570205227 QQRQMPDEIVUPJC-UHFFFAOYSA-N 428.536 0.157 30 20 ICED CN(CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O 573516563 KJKXLWHGOAEUIT-SFHVURJKSA-N 428.470 0.848 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 577684418 FRPILZLEWJSHOP-UHFFFAOYSA-N 442.545 0.560 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1ccccc1 588762524 PMPSIURJZKHWNY-QFBILLFUSA-N 432.484 0.912 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O 608911764 HHELRSRYEUIKBZ-UHFFFAOYSA-N 428.562 0.013 30 20 ICED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1 610056278 HEFWDIRDGRBNRK-UHFFFAOYSA-N 427.435 0.949 30 20 ICED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732441691 OGBRZZLVYSVLMP-CIJMEZBMSA-N 426.477 0.067 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(c2ccc(F)cc2)CC1 732445599 OLZLXHCJBPIVJR-VXPUYCOJSA-N 430.484 0.773 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795443 HSZXYDGNYICBSY-UHFFFAOYSA-N 429.546 0.895 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccccc2OCC(=O)O)CC1 734751384 SJNPVJNNPFTYBU-UHFFFAOYSA-N 433.490 0.927 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 737252621 YHMQBJURAIMVKB-UHFFFAOYSA-N 433.440 0.831 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 755547424 OJKPRCVKDQFWOC-OCCSQVGLSA-N 443.460 0.856 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758079044 VVTZIGKUQLDWBX-UHFFFAOYSA-N 441.557 0.540 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c1 760268060 MSHQKPJIWRBNEZ-UHFFFAOYSA-N 439.515 0.610 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 765914295 KSLHFQMBIFUYGN-HDHZYAPQSA-N 447.517 0.271 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 767427880 RLTAFVLMYDZKRV-TUAABQIMSA-N 427.457 0.980 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)[C@@H]1CCCO1 773790205 ARXGORHTHCDXFB-HKUYNNGSSA-N 446.479 0.722 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 780315186 OUEOIBXESBUEFX-HSZRJFAPSA-N 437.588 0.573 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 783481122 NGZXTGJUBOGJQG-LLVKDONJSA-N 431.373 0.784 30 20 ICED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 785210188 HDGJJZAKEDQMFN-OALUTQOASA-N 431.452 0.450 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)cc1 785839811 SLYLLFQPLHOAKR-CAPFRKAQSA-N 443.551 0.784 30 20 ICED Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 787488176 FMKAVSZPGKSPKA-UHFFFAOYSA-N 430.472 0.807 30 20 ICED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1=O 788765543 LZPZQPUHTZXAMN-UHFFFAOYSA-N 444.425 0.043 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794612130 FEDXCSQHKDEVOS-MRXNPFEDSA-N 444.557 0.795 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 799285209 ZNNQZUIFYUQFND-CQSZACIVSA-N 425.507 0.555 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC3CC3)CC2)cn1 805092763 XEWDAUVTJAYXFT-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(C#N)n2)CC1 811253023 KPFKRFTZYXOOEH-UHFFFAOYSA-N 433.446 0.248 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)c1 812983793 HLZWPLHJZBTFSQ-UHFFFAOYSA-N 446.423 0.729 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250829 ZTTZDWBWUUXKCL-UHFFFAOYSA-N 449.508 0.083 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 917176989 LMJPLJJRIMCFPY-UHFFFAOYSA-N 435.527 0.448 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770192 GZFSSKTVKJOQBJ-CQSZACIVSA-N 443.525 0.145 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 918533709 DFEQVDOUIBTGIK-LLVKDONJSA-N 425.410 0.806 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1288994279 CALGNWZPEKENFC-NHCUHLMSSA-N 426.477 0.582 30 20 ICED CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1303425799 VWJHQGJFNMKPLN-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1313490035 QDJRBAHWBOBPQV-UHFFFAOYSA-N 425.493 0.814 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1314929667 ZITVRGPMFWGWNA-NRFANRHFSA-N 425.493 0.074 30 20 ICED N#CCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1319017315 USPMXXFJGNOXOR-UHFFFAOYSA-N 449.558 0.578 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1554356456 MLLLETCEBGABJC-QFIPXVFZSA-N 439.520 0.178 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1690956841 ZGHVEYFRSYEXHJ-IBGZPJMESA-N 439.520 0.930 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1692786149 RXMSYTLRBIRGTO-XHDPSFHLSA-N 430.897 0.880 30 20 ICED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707794980 RAEDMACPBCOXME-YOEHRIQHSA-N 448.553 0.548 30 20 ICED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1746311559 ZTNDJVWKXYBHTM-HUUCEWRRSA-N 446.599 0.448 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1761482717 LJRZADURPPXWIP-FZMZJTMJSA-N 441.455 0.824 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CC1 1778054228 DDNLVKYEQUWRKJ-QFIPXVFZSA-N 447.455 0.318 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462274 FANZBCDAGUUCNS-NRFANRHFSA-N 425.493 0.455 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778848263 YTEFOTILVHUTQU-DNVFCKCGSA-N 436.597 0.321 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416948 MSGZPKSVTZTBAI-KRIYTASASA-N 435.437 0.895 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301262 TWLGZQWMBDSJEA-DENIHFKCSA-N 446.479 0.221 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1781701525 HRBLMKIZQQYVSX-DRSNIGMVSA-N 435.521 0.769 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1782015484 QRUFFMBQPZWORJ-OXQOHEQNSA-N 433.392 0.949 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CC2 1783565501 LZGGOBPKWKLFCB-GAJHUEQPSA-N 426.469 0.718 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1783889995 NMVUKZRHLSNZOB-DNVCBOLYSA-N 426.560 0.999 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785000750 CRIRJPZBLMLSAD-FHWLQOOXSA-N 449.548 0.878 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1785421669 VXGFLJRQYFBHOE-QHCPKHFHSA-N 441.532 0.945 30 20 ICED CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786858515 YHHUPNITVAMBPK-ULQDDVLXSA-N 431.541 0.734 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788288152 FKCSJGPGAPGIFH-GFXHUTCISA-N 438.488 0.181 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788978553 ZZSSPAXMFFHNQT-MPGHIAIKSA-N 426.429 0.924 30 20 ICED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nn1C 1789066417 FXIMPOSHWMSNKH-IEZWGBDMSA-N 430.553 0.858 30 20 ICED 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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)CC1 1801445820 IEOVCCIHUKBDFM-XFIYOXNOSA-N 445.545 0.108 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1801599777 RFDBASBJLINIHQ-YVSFHVDLSA-N 448.568 0.804 30 20 ICED C#CC(=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 1801601447 JPDODJQJYHDQIT-QKPAOTATSA-N 441.550 0.586 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(I)c(O)c1 1801905185 VUXYRPGNCTUHKC-DRXBFXEBSA-N 440.237 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)[C@@H]1c1cccnc1 1802477185 NKRXEYRBZIABGW-WNRLEXOASA-N 441.532 0.861 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)C2 1804370603 QDLMKNDGSAHMJD-YYIAUSFCSA-N 449.552 0.812 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1nccn1)C2 1804377972 HZDKWVBEGHARTA-YVSFHVDLSA-N 430.509 0.833 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810359860 CKGYOBQSQYVQAN-ROSYZYKYSA-N 442.476 0.492 30 20 ICED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815211628 OPAVKAIGHMXHAU-GXTWGEPZSA-N 429.414 0.718 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819899362 VGPVIWPRXFEKRN-GGEBOZFWSA-N 435.506 0.863 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1 1820307728 FZMCWXWJRYFZIO-PBHICJAKSA-N 429.437 0.980 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827212010 RHSPDQUPQCXAIK-GFCCVEGCSA-N 443.547 0.999 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C1 1829671917 GXRKXTXZTMTUQM-NRFANRHFSA-N 446.460 0.179 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1830459089 QIUMISDLKUSRDT-QFIPXVFZSA-N 439.472 0.690 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1830464627 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C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)C1 1839811894 VKSLMHJEUZJSNI-HOIFWPIMSA-N 435.521 0.769 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1839886959 RRTUMTOOQNCRNL-PBHICJAKSA-N 438.493 0.335 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839887946 USNHYOMUHPKECT-GOSISDBHSA-N 427.404 0.774 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)CCO2 1840019908 HVZRWDLOSKYCSM-VGOFRKELSA-N 429.473 0.391 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840076090 RIPONAYVNTUZAL-NRFANRHFSA-N 441.525 0.062 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842254183 MKVJPJZHBYSZGZ-FPLPWBNLSA-N 432.502 0.161 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1844252608 LKFCABDDYSVEAY-UHFFFAOYSA-N 441.568 0.681 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846426073 WQNXZVLLMNQNAV-HZPDHXFCSA-N 432.521 0.633 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cc(C#N)ccn2)CC1 29447824 HFOATQHMUARISZ-HNNXBMFYSA-N 440.529 0.700 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cn1 427712207 CERMZUGFIZEKST-IQYUFHPYSA-N 430.468 0.703 30 20 ICED CC[C@@H](CCNS(=O)(=O)c1cccnc1C#N)NS(=O)(=O)c1cccnc1C#N 428241778 KYANISCZMRMGTO-ZDUSSCGKSA-N 434.503 0.645 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CC2)c1C#N 433481860 DKGJIZDYENZBOV-UHFFFAOYSA-N 437.460 0.844 30 20 ICED CC(C)Oc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1C(N)=O 434994849 DINDMJNCGCZSJA-UHFFFAOYSA-N 431.493 0.586 30 20 ICED COC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 439279779 UPPVZGPACVNWSK-FUHWJXTLSA-N 436.534 0.127 30 20 ICED CCOc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 440402805 YQSNJDHCMHTERA-UHFFFAOYSA-N 435.509 0.813 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 444505107 CHISMPLCGJUEEV-UHFFFAOYSA-N 444.517 1.226 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 444570988 LYMTXYGSBMDOIR-OAHLLOKOSA-N 441.467 0.706 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 446529928 KRUBRANUTOPSKU-QZTJIDSGSA-N 449.529 0.736 30 20 ICED C=CCNS(=O)(=O)c1ccc(-c2nc(CCN3CCN(CC)C(=O)C3=O)no2)cc1 460831702 SSERZJWDQPIXPC-UHFFFAOYSA-N 433.490 0.434 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C 461362180 PXKSZIWYQKBHFU-UHFFFAOYSA-N 437.468 0.746 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCOC1 461593609 FVMHGVFPBCCABC-CVEARBPZSA-N 439.524 0.830 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 464857412 SNBKADFPECUVQW-AEFFLSMTSA-N 446.577 0.817 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 468769450 BARBXMYOCKRGQL-ZDUSSCGKSA-N 440.547 0.792 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)c(OC(F)F)cc2-n2cncn2)C1=O 468769913 AVWPNHVHXLIWCB-UHFFFAOYSA-N 438.322 0.923 30 20 ICED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 469477605 IELGAWSGBWKNAU-MRXNPFEDSA-N 433.538 0.315 30 20 ICED N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 480607822 ZWCWZQHTJBBFFU-INIZCTEOSA-N 432.955 0.497 30 20 ICED C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 481768241 ZPGUKAAUJGMZBO-RKVPGOIHSA-N 440.518 0.959 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 482813518 URFWDOWTLIPHHJ-GJZGRUSLSA-N 439.501 0.624 30 20 ICED COCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488278623 IVOAEKODBCCIRZ-ROUUACIJSA-N 434.518 0.504 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490025911 JEGKIAYPBAPFNQ-CQSZACIVSA-N 442.505 0.377 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 490736022 WDDOKNRPSZLDSG-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C)c1=O 500547315 XTIAAGABXVBZEU-UHFFFAOYSA-N 432.458 0.019 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Br)cn2)c1=O 505704421 AMXWDAPOGBYLFQ-UHFFFAOYSA-N 449.330 0.519 30 20 ICED Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508155342 VNFMOUFCLYABTA-UHFFFAOYSA-N 441.473 0.557 30 20 ICED COC(=O)c1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 513293021 AXYOABGHXITVIU-LBPRGKRZSA-N 426.408 0.950 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CC(C)C 514644867 CXWALPMCYIDREF-UHFFFAOYSA-N 445.541 0.849 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCN(C)CC1 517983674 LECBCPZAJGIAAW-UHFFFAOYSA-N 427.486 0.334 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCN(C)CC1 518715511 UBUAULZZOMLAKC-UHFFFAOYSA-N 440.525 0.212 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)NC2CCC(Oc3ccccc3C#N)CC2)n(C)c1=O 520338087 QXBVNMADSYSCAB-UHFFFAOYSA-N 436.472 0.812 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 537132582 ICVRHQDVMRXULE-MJGOQNOKSA-N 448.545 0.711 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539449486 LUZUABRWOLGLJB-OALUTQOASA-N 437.541 0.548 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCOCC1 541038218 DZQMUOJUJQLHDU-UHFFFAOYSA-N 429.408 0.908 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 547268415 MLAXPUODIMOVML-HIFRSBDPSA-N 446.489 0.467 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 556034649 VXWUHDMAMCVVNP-YJBOKZPZSA-N 436.534 0.634 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)CC1 561453136 DKMFBIVDRWTFIQ-SFHVURJKSA-N 446.552 0.738 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 589034866 WQGHYORLVLTLGL-JXFKEZNVSA-N 449.515 0.246 30 20 ICED COCCn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 604142175 WHSOPKFFBOBLHC-UHFFFAOYSA-N 436.476 0.857 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O 608911737 OVCCCFREGNBMPF-UHFFFAOYSA-N 441.509 0.690 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC1 728572504 HQMYBFVGDROZSV-UHFFFAOYSA-N 430.509 0.474 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 731126219 DKTRGVRDNZZETP-UHFFFAOYSA-N 442.497 0.633 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cn1 746384871 QHSIXTFUGWGNCK-SFHVURJKSA-N 436.520 0.801 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 747993226 GOHZVYADRLOMQY-UHFFFAOYSA-N 438.406 0.905 30 20 ICED Cc1cc(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)nc2c1c(=O)n(C)c(=O)n2C 751663206 CVYZNJVIRSVTFF-ZDUSSCGKSA-N 439.453 0.836 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 758050563 GDKMXHQCSJREAP-UHFFFAOYSA-N 447.476 0.189 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)n1 763315328 BGYPXFXJWNLFCP-UHFFFAOYSA-N 449.554 0.476 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 766382482 NPWOUGFUDJHKCQ-INIZCTEOSA-N 448.545 0.713 30 20 ICED NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 769585432 MODXDKINJHEQSP-CYBMUJFWSA-N 428.536 0.175 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3OC)c2=O)cn1 772266174 KXOHAQSLTZPDFN-UHFFFAOYSA-N 433.493 0.986 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 783542769 WVERNXDNZBWTBS-UHFFFAOYSA-N 442.563 0.473 30 20 ICED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 786739103 UTVYFGSXSMTGTN-KRWDZBQOSA-N 443.504 0.806 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc1 787801119 RBIWAINJEYTPRG-UHFFFAOYSA-N 438.531 0.790 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 799145948 RGIDCLYTRIRRKA-JOCHJYFZSA-N 442.520 0.005 30 20 ICED C[C@H](CC(=O)OCc1nnc(S(C)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 803371290 UFRZMBGQXZIWJV-SECBINFHSA-N 444.516 0.502 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806838813 OEGCHNFPATVNGP-IRXDYDNUSA-N 448.483 0.517 30 20 ICED C#CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 806911244 KNKILIWHAMGTKT-KRWDZBQOSA-N 434.537 0.834 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 808734535 BIYWGBNCSNCGDT-UHFFFAOYSA-N 445.526 0.494 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCOC1 814250766 YVGMOBUZEQDKSG-LBPRGKRZSA-N 449.483 0.190 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 815861315 BVCLHDFSVNODEW-UHFFFAOYSA-N 438.550 0.734 30 20 ICED COCC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917225752 IPEZISMDAJJEOM-UHFFFAOYSA-N 436.534 0.603 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1301952668 LUCWKPVRHHQAHT-CHWSQXEVSA-N 432.572 0.451 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1318593293 LRDAHOLAUQAJCX-MRCUWXFGSA-N 427.461 0.812 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1516847702 QQUXTSBHAQPBLQ-HNNXBMFYSA-N 445.549 0.813 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1651414657 XBPIEKYEANAQPA-OAHLLOKOSA-N 429.502 0.575 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C1CC1 1692797778 ZCUWACZMWLJODA-OLZOCXBDSA-N 431.526 0.600 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1cc[nH]n1 1709137339 RJFCEWCKCXWHDI-UHFFFAOYSA-N 437.512 0.234 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1722556890 SQIXLRUONPOOFE-LSDHHAIUSA-N 446.961 0.468 30 20 ICED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1741691060 RLGUZWINAKESOU-UHFFFAOYSA-N 425.493 0.970 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1749831051 UQLAXQLFIYRUTD-HZPDHXFCSA-N 442.542 0.014 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1770749095 UKGLXXWLVXOLOF-UKRRQHHQSA-N 438.414 0.727 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778161712 JXPIZKICCYISPY-UZUQRXQVSA-N 442.516 0.761 30 20 ICED O=C(O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105262 JNVJEQFVYCOMQU-IEHMZHNKSA-N 429.495 0.163 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779106248 YWPLFSLLHHJVRM-XXVAPRDTSA-N 434.449 0.465 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779107328 QFIZWIDZILBKKK-MYRHLRDYSA-N 449.460 0.776 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1)C2 1779202996 HTOJLUUOSSFIES-ZWCUEREDSA-N 444.488 0.750 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1779428571 OOGNDOQEXAZJGV-HIYRQUNLSA-N 436.509 0.165 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779446304 CCAJRONWJYJQHW-KXCPTRETSA-N 430.505 0.739 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836252 ULALOHGJSXDFDK-NFBKMPQASA-N 437.581 0.555 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3OCC[C@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054243 CRJNFKWIPMABNO-JFNLIGNMSA-N 447.532 0.864 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[C@@H]1CNc3ccccc3C1)CCO2 1783562094 BQMJMLBPBJXCFZ-GAJHUEQPSA-N 425.485 0.969 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c1=O 1785376754 VRSQKQVADPIFLA-HSZRJFAPSA-N 436.468 0.779 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513729 TUSTYPAUPLDKOT-SHWJHDSMSA-N 433.530 0.991 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015053 NNBXZTQNVFXURD-LAQRGFTBSA-N 427.505 0.896 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788575310 VJVSVDYBDLMVCF-UOVPBQLFSA-N 427.505 0.896 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCSC)C[C@@H]21 1789891649 LXJPHUNTWMZNMR-NXOAAHMSSA-N 428.551 0.590 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NOC4(C3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793386 BXLRERZDECWFQH-ZOBUZTSGSA-N 446.504 0.365 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C[C@@H]21 1791075762 WLGRHYZZHYEQOS-BPNCWPANSA-N 431.836 0.293 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C[C@@H]21 1791076858 JXYSBZTXRLFHHA-IEZWGBDMSA-N 437.452 0.480 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C2 1792484853 XXXZLTWESCOKHJ-YFIOHPQZSA-N 447.532 0.414 30 20 ICED 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)C1CC1 1792640053 MRMIHHKFSZWOKT-HBCWATKFSA-N 435.477 0.064 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793361243 HNBYEHPETXWAQW-LDZFOUDASA-N 432.473 0.997 30 20 ICED C#CCO[C@H](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 1793570586 QLBBPBDGDVMXGP-SFFUCWETSA-N 437.537 0.939 30 20 ICED O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793713513 YHXYHHBEGTXFSX-IFPBRKCUSA-N 439.520 0.493 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2nc(N3CCOCC3)ccc12 1795968547 BLXLMOOFKUVXMP-CWPLJXCYSA-N 440.504 0.345 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1796337115 IGOCBUBDQKHEJV-QRJUGERDSA-N 435.477 0.083 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815678 TXHAMQUQLCWBTC-KCLWYBEPSA-N 434.497 0.033 30 20 ICED Cn1ccc(=O)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1798530166 WCHYIUMCVGQHDW-FAQVEIGNSA-N 436.468 0.539 30 20 ICED CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccc(Cl)cc1 1800307505 LHZPOUJJSGPOPI-HRYATBACSA-N 433.892 0.620 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1803555375 WMQJMRPQQPBYGS-BBTUJRGHSA-N 431.537 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@@H]1c1cccnc1 1808426259 WWSJMRMHUHRZAV-HXZQPLRFSA-N 441.532 0.813 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810250330 VBEKXXIAFRBYET-BXWFABGCSA-N 441.536 0.994 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1811892955 YPNNLAKNMJKPSM-RXVVDRJESA-N 446.467 0.825 30 20 ICED O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828914833 WJWHQZIOBOCHAP-ORZORADFSA-N 449.596 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)ccn3)C2)C1 1829765412 VYIGULVSFMZWTD-UZQCKINESA-N 442.516 0.572 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830626077 HBHSTIVZZCEDFG-FMWVNSPYSA-N 441.525 0.379 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831187869 JBAMVFNRVLXEGB-AOMKIAJQSA-N 428.489 0.543 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1831413796 IIQADIUTGYVSRM-BDNZGDGKSA-N 430.505 0.929 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1832005242 GJRWWTNZAJIACT-DRSNIGMVSA-N 435.521 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 1833073736 DATVQLDETYYKPP-PLNGDYQASA-N 442.564 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)COCCOC)CC2)CC1 1833076023 LPODTRYNWOWWCY-PLNGDYQASA-N 436.553 0.079 30 20 ICED CC#C[C@H](CC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)c1ccc(O)cc1 1833223517 SRYSBIMFGCQISP-GOSISDBHSA-N 443.544 0.772 30 20 ICED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1F 1833485541 MAQSBXXVXBUWDK-NRFANRHFSA-N 443.435 0.813 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833981286 JEQOAYWZJUBBCC-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)noc1C)CCO2 1834063223 ZSRWUPBQGUAPDR-QEVIJRNUSA-N 432.477 0.220 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767719 QKCXURMMLYVAJH-URZJWIJPSA-N 448.520 0.826 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1835674704 FEBVXNVOEGQNIW-QFIPXVFZSA-N 445.520 0.199 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cnc(O)[nH]1 1835964600 DCMXWHXOFBBLMH-WQZUMXOESA-N 448.524 0.830 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)c1cccs1 1836134767 XQLFVVVTUDPFJB-YADGQWAMSA-N 445.501 0.235 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094658 ZNHAOMVMLLZHMU-QFIPXVFZSA-N 446.504 0.409 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837398459 AMJMIRCKCNVPPQ-JPYJTQIMSA-N 442.516 0.977 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837446460 BXTMMQZZZIQASF-ASPARNDVSA-N 446.552 0.681 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837487505 YERLHUAMKFKRBJ-KXBFYZLASA-N 439.463 0.945 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524951 JTAGPQHRVIWMSD-FXYZYZMWSA-N 427.498 0.397 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531431 MRDBNTSFNPYEMG-CHKZVEJASA-N 435.481 0.317 30 20 ICED COCCOCC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837767259 PCXYKQFSCBGBDF-UHFFFAOYSA-N 438.569 0.930 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1 1838374155 OWHHGEQSGLJMTB-UHFFFAOYSA-N 434.367 0.179 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)n1 1838594947 AHVISJJIVGTXCO-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838671476 KPELWFSVTRZBKB-VGOFRKELSA-N 433.505 0.739 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)nn1C 1838905779 YRNVBLLLKVHCDN-QHCPKHFHSA-N 437.500 0.913 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(C#N)c1 1839132596 LAWUHLMOEUIVPI-QVKFZJNVSA-N 433.530 0.884 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1839176153 YKFAVECVEURDOO-LAUBAEHRSA-N 434.493 0.410 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)c1 1839226795 DJBXIJMPRIMZPO-IERDGZPVSA-N 434.493 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1839228559 HVGPHLPSPRTFRU-NQIIRXRSSA-N 435.525 0.921 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516177 DJWVJUXDPYQYGT-KKSFZXQISA-N 434.493 0.327 30 20 ICED C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1839748712 LLYKTRSUWGPQRO-VGSWGCGISA-N 430.457 0.388 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1839804579 YBDCQHZUTXRFBD-QHCPKHFHSA-N 441.484 0.345 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)C1 1839805626 POFFIHLQNXKZJN-QHCPKHFHSA-N 426.517 0.142 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1)C(F)(F)F 1839894945 ZXFRWLMDQBXDPH-CTWPCTMYSA-N 446.422 0.905 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840165196 PSKHMGROYHADMU-XFQAVAEZSA-N 435.546 0.580 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1840168032 CSLGSNHLCFBHCL-JOCHJYFZSA-N 425.489 0.911 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840346718 LNOOXUOQVIGQRA-AUSIDOKSSA-N 448.564 0.920 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c(C#N)c1 1840571684 HSMZNNGINVJVGW-HSZRJFAPSA-N 442.516 0.127 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840905846 RJZPVQKTNKUVHO-IIBYNOLFSA-N 435.546 0.500 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)C1 1841432749 XKYNSNUXUPITRF-RDJZCZTQSA-N 433.505 0.807 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195414 NYYLNKYWYYDGRU-CVEARBPZSA-N 449.504 0.598 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 10933245 WSPXEELAWPBZIY-LJQANCHMSA-N 439.465 0.812 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CCC2)c1=O 430975664 NYGDQDQEEXFICD-UHFFFAOYSA-N 429.571 0.755 30 20 ICED C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 437535228 KXSSJBLAGMSYDH-AWEZNQCLSA-N 437.460 0.958 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCOC1 441928174 YJZCXDGOOZRXMZ-MRXNPFEDSA-N 443.525 0.221 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 443146739 UOOSYRYXNODLPN-UHFFFAOYSA-N 434.435 1.269 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 448302451 MERYLQNLLNVWDO-LSDHHAIUSA-N 438.492 0.652 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 473009127 MFSRWXLDLKOKNA-HNNXBMFYSA-N 446.533 0.624 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 479851527 ZCOMSFXEBYELAM-SNVBAGLBSA-N 428.517 0.250 30 20 ICED C[C@]1(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)NC(=O)NC1=O 488257906 CSHQWPOGMFYUMU-HTAPYJJXSA-N 438.488 0.679 30 20 ICED N#Cc1cc(C(=O)NCCCN2CCN(CCCNC(=O)c3c[nH]c(C#N)c3)CC2)c[nH]1 489968663 YCUPPBKHMDLYCS-UHFFFAOYSA-N 436.520 0.644 30 20 ICED CC(=O)N1CCC(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 506799677 ZODQLMRFMLGYCP-IBGZPJMESA-N 448.545 0.855 30 20 ICED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 508634116 DGLAWYROSIFRDL-UHFFFAOYSA-N 438.897 0.792 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N 516151194 VKXSKRLBIXDIMV-UHFFFAOYSA-N 447.521 0.651 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 522278959 FNWVEADDMLMISO-KRWDZBQOSA-N 445.495 0.464 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c(C)c1 527030372 QGWVBMKIDPBYDG-MRXNPFEDSA-N 425.510 0.511 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 532265962 JHQWJHOXXQYFIT-UHFFFAOYSA-N 440.481 0.956 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 549780147 YHDXAVNBEQOHKL-UHFFFAOYSA-N 449.533 0.959 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCN(C)CC1 550383216 DVIJWFNFRRGPKE-OAQYLSRUSA-N 444.555 0.734 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 556006534 VQZQJWBCKGGAFF-UHFFFAOYSA-N 448.527 0.750 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 556087623 XVPFVXPDGKLOKF-UHFFFAOYSA-N 433.476 0.897 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc2c(c1)OCO2 571256721 KRKZIGMETQVWLW-UHFFFAOYSA-N 436.449 0.280 30 20 ICED Cc1nsc(N2CCN(C(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)CC2)c1C#N 583414777 PKIFMFAFADBGRV-UHFFFAOYSA-N 427.490 0.175 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 583840290 RDXPZCMRVLUMOU-UHFFFAOYSA-N 447.967 0.261 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](N3CCCC3)C2)CC1 603852022 GKMWZQRIQIEKAS-HXUWFJFHSA-N 445.589 0.951 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCO[C@H](C#N)C2)c1OC 609268670 ORGGDBSRSWBBEN-CYBMUJFWSA-N 425.463 0.089 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610807158 LVMMNGQGKVMYJA-GOEBONIOSA-N 441.513 0.719 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cc1 674041327 AEHVYRCEQBKDSN-UHFFFAOYSA-N 431.536 0.371 30 20 ICED CN(C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(C)(C)C#N 727221383 NJPDDURNHADPFW-UHFFFAOYSA-N 425.243 0.196 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 730801773 KUEPHZBOPIGGLP-UHFFFAOYSA-N 435.452 0.196 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2occc2Br)c1=O 735294998 MBXQADFCUVDROT-UHFFFAOYSA-N 438.303 0.693 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738673370 GMBULGRXARMLHB-CYBMUJFWSA-N 426.451 0.767 30 20 ICED COCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 742637570 FJKJGRGYQAZYFJ-KBPBESRZSA-N 443.547 0.166 30 20 ICED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746450374 HCUMXELFYKRQJW-HAHDFKILSA-N 437.522 0.326 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccon1 747178997 LSQWFZZIISDYEQ-AWEZNQCLSA-N 440.503 0.918 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1 752335557 WXIXODBFLSAMBU-AWEZNQCLSA-N 429.462 0.893 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCCO)cc1 759916393 HRNWZOLDKPPZPR-CJLVFECKSA-N 425.511 0.510 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 766595116 RAMLYSIYQORRPA-UHFFFAOYSA-N 445.379 0.834 30 20 ICED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)C2(C#N)CCOCC2)C1=O 767402844 XXXOXPPJYRDQDC-HXUWFJFHSA-N 428.445 0.824 30 20 ICED C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)n1 788695955 BHECBMGTHBPFBH-FQEVSTJZSA-N 445.501 0.790 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)c2F)c1=O 799934456 ZMWJFOKGTHITCK-UHFFFAOYSA-N 433.505 0.979 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800033741 ICZHXVRJSGSXJK-GJZGRUSLSA-N 431.559 0.676 30 20 ICED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 807828373 MTFWTONGBYRMOH-INIZCTEOSA-N 442.520 0.975 30 20 ICED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCCO1 809304179 GEUKBOKKMDAKSC-OTWHNJEPSA-N 429.473 0.565 30 20 ICED COCC1(S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 811153069 FDCBOOXCCSQSMS-AWEZNQCLSA-N 443.547 0.765 30 20 ICED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 811186279 JHQCUGYPJPBRSI-HNNXBMFYSA-N 438.506 0.589 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 916200238 ZNYYCZLCBSVTJJ-UHFFFAOYSA-N 428.470 0.590 30 20 ICED N#Cc1ccc(NCCNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc1 916520126 BQLVNZIQQJDHFN-UHFFFAOYSA-N 438.517 0.962 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)C1=O 916617298 PHGYTMRCPLHYEV-SDNWHVSQSA-N 442.453 0.816 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccn1 1360708606 ZVEJGVYRWFFJSE-YJBOKZPZSA-N 444.565 0.703 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1452886657 OJUBHDYPCYIBTD-MRXNPFEDSA-N 445.549 0.746 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1516232874 UWFQCSOGTGHAPP-DYESRHJHSA-N 426.477 0.806 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1548175597 LZKWRCOEDMSNDK-DOTOQJQBSA-N 437.570 0.273 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1593886096 QVSIWABVXVYOLG-CHWSQXEVSA-N 432.934 0.030 30 20 ICED COC(=O)C1(C#N)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 1645675338 MRBXBAKHRKWZQH-UHFFFAOYSA-N 448.545 0.995 30 20 ICED COC(=O)c1cn(C)nc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1681121482 SSSQDLMVPLQUDY-UHFFFAOYSA-N 432.462 0.617 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)CN1CCOCC1 1692747893 RWUMIGBGFFNZCB-OAGGEKHMSA-N 427.575 0.595 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705679736 XWJYHXXYXLCQGB-CYBMUJFWSA-N 438.330 0.979 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1777963395 KHAMHQFKCXUNNF-YZZKKUAISA-N 449.548 0.799 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(C#N)c2)C3)CC1 1778848473 XNKHUWGJJDCNMR-ZJSXRUAMSA-N 439.560 0.933 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063539 VKHDYORWEMTAJB-GBXCKJPGSA-N 440.544 0.480 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1779242257 QCKBQFLTTDEYRR-HSZRJFAPSA-N 434.581 0.973 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779363011 ZONKAPISLQAQNL-CBWPXHNPSA-N 443.548 0.834 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781655276 YFZWLOVHAJEQTQ-BZLDKRAPSA-N 442.578 0.651 30 20 ICED O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782565854 MXKWJUPRZFYTJF-ZUSGQUMZSA-N 448.524 0.711 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603397 DSNKBGHRPMMZLE-OKYOBFRVSA-N 427.505 0.527 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1783666470 LASUAWHKCAFEOG-GHTZIAJQSA-N 443.541 0.687 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1Cl 1784117901 MVJPQLQPMDIVTN-NRFANRHFSA-N 442.859 0.580 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C)cc3)C[C@@H]21 1784486438 BMEQLWFOYWXSDJ-VMXMFDLUSA-N 441.528 0.743 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1 1785078332 KCGSTGAFZXRPIG-FRGLQRNOSA-N 442.516 0.408 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370163 ZQJOGWCBJCDODD-KSFYIVLOSA-N 425.489 0.724 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369500 VUKYFJMFOBOEHI-NXHUNJGVSA-N 432.521 0.993 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccccc3)[C@H]2C1 1786668023 XOOODZJULLFXIK-MUGJNUQGSA-N 428.533 0.982 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152405 NWYRJKMKXNVXQT-FHIRATQRSA-N 436.534 0.644 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c(C#N)c1 1789839945 VKUCRMSYQXNUOT-QZHFEQFPSA-N 442.472 0.197 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789928485 PGDRMEDUWBLUHP-OKYOBFRVSA-N 449.548 0.655 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1792835102 LLQQQKYSNDDQBD-HBCWATKFSA-N 442.859 0.796 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1797815208 LQXNVKNFLUQQJI-DBGBFXKQSA-N 445.476 0.139 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c1 1800207628 ABMVSTNNGIAVPV-UPHUGPLXSA-N 437.456 0.645 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1801162647 OMDKDFNLDBXAOR-SFNKJDCFSA-N 437.537 0.655 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806865983 NVMJANKNDBMRRN-XAUMDUMWSA-N 435.488 1.000 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CCC1 1807360136 OHKJTSDDDOHOCL-YJBOKZPZSA-N 446.471 0.826 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1808439962 DMUFSLMHXYLKKP-QKLQHJQFSA-N 428.489 0.875 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963373 MHTAMMBDUDFMMF-HNNXBMFYSA-N 426.477 0.301 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(F)(F)F 1812682075 JNIGVBKCTJSJJK-AEFFLSMTSA-N 444.454 0.493 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807825 IDNIPPLIHIDEJK-NEPJUHHUSA-N 437.522 0.157 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814832348 JKWCNSPXTQOTAT-LBPRGKRZSA-N 427.490 0.489 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@H](NC)C(=O)O)sc2C1 1815082137 TXPUUXQQBIQPBA-DGCLKSJQSA-N 438.506 0.627 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774170 JHUCNQYJWLNPAO-MIUBOFOBSA-N 435.554 0.120 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819875865 AUHLXSLFLUWJRU-HYSWKAIVSA-N 428.580 0.660 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCS2(=O)=O)n[nH]1 1821829916 CDAMOSREGLCCMR-AISUJJHZSA-N 449.533 0.837 30 20 ICED O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998491 HNCCMJQLDCFRNG-KCOUNZPASA-N 448.564 0.605 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829960318 MSGZYBDRGDQDTA-WZONZLPQSA-N 440.500 0.463 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)COC1 1830030728 FEPNKOBIFFUNLU-PMDKZKLISA-N 425.482 0.008 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831392023 HXAGBHBIIWORIS-SBUREZEXSA-N 444.484 0.566 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 1831402071 NBCREVBZFIGXNN-MSYCTHLASA-N 430.501 0.949 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831433299 HFQVXDFWCFWCHC-VFNWGFHPSA-N 429.477 0.619 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831579030 QGJYMTJSMQSQGR-LZFQIVBZSA-N 442.472 0.492 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489300 ZMVOQOZUMQSNKS-HNAYVOBHSA-N 438.506 0.199 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnsn3)CC2)CC1 1833975763 ORGUKHJZCMBWQJ-ARJAWSKDSA-N 432.550 0.582 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)cc1 1834675732 TUOQDRFXZGWCNE-UHFFFAOYSA-N 425.537 0.155 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834793789 HYMYTFLNBWRIFH-UHFFFAOYSA-N 440.508 0.153 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835047523 IINZRRZIFWSERN-FQEVSTJZSA-N 429.590 0.998 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1 1835100431 SDPCHPQPPOTQDM-HSZRJFAPSA-N 436.468 0.607 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835126737 CCUZVICZJQGONA-NVVBAYIOSA-N 440.500 0.662 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835718906 YQSUOGJILLNLSV-IBGZPJMESA-N 432.569 0.813 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc(O)n4c3CCCC4)CC2)CC1 1835853641 ZVNXHXKBFCYWLL-UHFFFAOYSA-N 443.504 0.198 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835904280 MMNXIYGVYXMJBH-OFNKIYASSA-N 428.533 0.945 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1836064043 BLYBBQAVKWDWNL-JOCHJYFZSA-N 441.463 0.744 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158019 AJIFNOGPONYMQL-LRHHQANISA-N 446.504 0.610 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974126 OSJMIUXDOWESRE-JTSKRJEESA-N 430.505 0.328 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1837312205 XBYJVLMXAVMPOZ-DYESRHJHSA-N 438.594 0.695 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1837391711 UHQQXGDTGFTSEC-YJYMSZOUSA-N 439.538 0.223 30 20 ICED Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529266 QPQRXODYNJQYBS-XGVOGHQPSA-N 434.493 0.922 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc(O)n1 1837563429 XZFICNYZMOPTGH-JBMWNJKUSA-N 442.472 0.878 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610102 ISQKQJXKOQTYLC-HYFFOGBASA-N 445.520 0.264 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccccc1 1837616720 MQBOZFYZTVWJLQ-IZIIKQMZSA-N 441.528 0.775 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838309020 ZQJXMXNELSXRTG-FOIQADDNSA-N 440.928 0.717 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1838492371 LGCZATOXOBOORT-HXUWFJFHSA-N 426.433 0.424 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838953432 XFQUHMOUTNGKNF-RXVVDRJESA-N 433.530 0.742 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131642 PKIWLNNNQWEHAH-UZUQRXQVSA-N 445.516 0.848 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839224996 VHRONFXVIZOUCJ-BTYIYWSLSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839226555 AIWPGZLJONSQRT-KKSFZXQISA-N 434.493 0.967 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1)C(F)(F)F 1839892232 AOBNTKNAPVRNJL-GOSISDBHSA-N 430.427 0.928 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985950 BGRXFVLKXSRSRC-FQEVSTJZSA-N 443.566 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)ccc3OC)CCO2)C1 1840687657 ZXHGRFHQEZFTPT-KSFYIVLOSA-N 434.464 0.943 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c(F)c1 1840813040 ACXCJZRKOZOOKH-OAQYLSRUSA-N 432.452 0.993 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840882036 BWJCYXXLCQPJNJ-MGPUTAFESA-N 430.567 0.987 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841582421 GYJDPZJEXVDADC-MRXNPFEDSA-N 425.551 0.216 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1841601563 RNHGQCKXTHUHIC-AWEZNQCLSA-N 425.445 0.534 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841601937 JQNFWRZYYPNAHM-ZACQAIPSSA-N 435.521 0.456 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3cccc(C#N)c3)cc2)CC1 62087307 DNNFKGNXBNUVFL-UHFFFAOYSA-N 441.513 0.749 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 110942428 KSOZDQLQDYEEHQ-UHFFFAOYSA-N 441.532 0.716 30 20 ICED CN(C)CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 410322155 HEGDZPOVZGYAQV-UHFFFAOYSA-N 448.593 0.600 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1c1ccccc1 429007164 LQTSJLDLEASTEN-RTWAWAEBSA-N 425.533 0.229 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 437073243 FXLMHOMXOXJYJD-HNNXBMFYSA-N 443.547 0.467 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)C1=O 440257175 DQWUYKJMPXCVSE-AWEZNQCLSA-N 438.506 0.129 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n[nH]1 443749098 XBYVPMZRJAHVAI-UHFFFAOYSA-N 433.476 1.203 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O 444499428 RALGZPIYIICTEK-UHFFFAOYSA-N 445.277 0.702 30 20 ICED C[C@H](NC(=O)CNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(F)cc1 464855055 IMENFJSBAWAZCZ-CVEARBPZSA-N 439.495 0.991 30 20 ICED COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 471929006 KJZAPDJUBHAHHW-IBGZPJMESA-N 429.521 0.812 30 20 ICED CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2 473575243 MDORGEIIALOKTL-HXUWFJFHSA-N 437.504 0.625 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O 482060454 LECFZHZUHLNDGM-GXTWGEPZSA-N 430.490 0.904 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccnc4ccnn34)CC2)cc1 488345681 KQLZTSRVMBAIEX-UHFFFAOYSA-N 425.474 0.817 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 488632545 YHICOAVBSDDEQF-HNNXBMFYSA-N 426.470 0.535 30 20 ICED COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)n2C 489569756 UCLRAZYMHCUHAE-UHFFFAOYSA-N 433.472 0.814 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc2n(C)c1=O 501743751 QDQSPXPXXIQYBT-UHFFFAOYSA-N 446.467 0.995 30 20 ICED Cn1c(=O)ccn(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1=O 502636080 GIMDHSUEZHGARS-MRXNPFEDSA-N 446.305 0.719 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 508461329 LBZAJPLKNKYQQT-UHFFFAOYSA-N 429.506 0.460 30 20 ICED N#C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1Cc1ccccc1 511805390 FWRHADPXJVKULP-SFTDATJTSA-N 425.533 0.404 30 20 ICED C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518124496 NBZNDALCDRYCCT-CYBMUJFWSA-N 447.546 0.893 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 520146194 LKEZIALJIBMUEH-CQSZACIVSA-N 431.492 0.465 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(C)c2)c1=O 522284656 IMDSHDVZMURTNP-UHFFFAOYSA-N 429.542 0.911 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCC1 544746660 RJIYVTLFXXKDQG-UHFFFAOYSA-N 430.508 0.099 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(OC(F)F)cc2)c1=O 549077898 ZTTIEJHBMMNFLO-UHFFFAOYSA-N 445.451 0.966 30 20 ICED COc1ccccc1NC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 561779569 OZJFGNUGZPUZDH-UHFFFAOYSA-N 443.529 0.992 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 564682088 SKEFIXVOPDSXNZ-MSOLQXFVSA-N 445.474 1.094 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 565845832 GMBAGAFPSAOISB-UHFFFAOYSA-N 440.548 0.572 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4nccs4)CC3)CC2)nc1 574710541 CBNAXYDQJDSTRZ-UHFFFAOYSA-N 425.518 0.844 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 577477060 OZFLNXZSBRZDNK-UHFFFAOYSA-N 434.435 1.269 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 580629250 LPSVBLYSYZDJTL-ZIAGYGMSSA-N 440.460 0.486 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)[C@H](C)C2)cc1 588125720 JENBEJYZRNRDBR-MRXNPFEDSA-N 427.505 0.614 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)C1=O 606330693 WKMBUDNYRVNITR-UHFFFAOYSA-N 438.462 0.251 30 20 ICED Cc1cc(C)n(C[C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 609530286 ITYXEVRQBUIJRY-GOSISDBHSA-N 431.518 0.920 30 20 ICED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1Br 610428964 CRHPIHXSTZPRIX-ZDUSSCGKSA-N 440.279 0.535 30 20 ICED C=CCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611642996 CMYVMLCLHWFGQN-RDJZCZTQSA-N 438.506 0.485 30 20 ICED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 615632367 SHQAWTTWIWFTQY-QGZVFWFLSA-N 444.872 0.764 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc2c(c1)OCCO2 619538689 LKCPTPYMGLYHJP-UHFFFAOYSA-N 449.488 0.928 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1=O 685012076 PHNAJXUQACOAOU-MRXNPFEDSA-N 442.476 0.430 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(N)nc(Nc3ccccc3OC)n2)C1=O 726042397 BRXJZDUGIBOBQP-UHFFFAOYSA-N 441.404 0.226 30 20 ICED CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400591 KJSOLYFOFSEUFG-OAHLLOKOSA-N 431.518 0.910 30 20 ICED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 732468292 KLGNQHMYUGTJEL-ABUFQMGBSA-N 446.552 0.535 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H](C)O)cc1C 734562260 QFGJPUBDQCQBGV-ZOCIIQOWSA-N 445.497 0.973 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 747953400 GQQLEDAFHNXZBY-IBGZPJMESA-N 428.489 0.980 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)nc1 749029389 XALNIQZHVGMZLE-UHFFFAOYSA-N 435.488 0.822 30 20 ICED Cc1cccnc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750515330 BSBHITYESJANNJ-UHFFFAOYSA-N 428.470 0.952 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 753417705 MMFLVALNQGHZIT-GFCCVEGCSA-N 437.478 0.463 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 755394498 SOJRYRNRLHRVDX-UHFFFAOYSA-N 441.575 0.921 30 20 ICED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1C#N 758868517 HATHHYLDOJUBFG-HXUWFJFHSA-N 440.416 0.438 30 20 ICED CS(=O)(=O)CC1(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 759502541 CJLAKZAALUKVEV-UHFFFAOYSA-N 444.531 0.877 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762978914 MNYFJUAZMOYEER-AWEZNQCLSA-N 442.497 0.531 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccn(C)c2)c1=O 763435915 DUOGDKJOMOOUHD-UHFFFAOYSA-N 432.546 0.329 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 765427603 WRGRDWLRMADAJP-UHFFFAOYSA-N 439.560 0.399 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1C 766248913 QMZRTRDNYOWARX-PMACEKPBSA-N 434.562 0.326 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 766981930 IIGIPKYZELMFIY-UHFFFAOYSA-N 434.474 0.872 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 783464677 KGRBIXGLQGUPJB-UHFFFAOYSA-N 440.481 0.802 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)c1C#N 787115668 LSCFMOVZBGTPIE-GOSISDBHSA-N 443.552 0.008 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 794580958 GQIKPZADAHXICD-UHFFFAOYSA-N 449.479 0.856 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(C#N)cc1I 798471469 OTEBOJIOVBOXMZ-UHFFFAOYSA-N 444.272 0.811 30 20 ICED C#CCCCS(=O)(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 805054975 PJFYBVWNFGKMBG-UHFFFAOYSA-N 438.549 0.124 30 20 ICED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 810202629 JDPNKEHHHZLAKL-UHFFFAOYSA-N 437.522 0.861 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 915069666 YBERALYVWWISCU-FQEVSTJZSA-N 426.454 0.905 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CSCC#N 915387469 KDMJRWWCQSYWIK-UHFFFAOYSA-N 443.503 0.455 30 20 ICED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915777153 AYFJULZKSIRRPL-UHFFFAOYSA-N 430.490 0.807 30 20 ICED Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cnccc3C#N)CC2)c1=S 1117718801 JYXULJNJZYONSM-HNNXBMFYSA-N 433.563 0.900 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301953150 QSSDADKAHFMWJT-DLBZAZTESA-N 432.573 0.955 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1517329608 PXLSIDALOWLNEC-SFHVURJKSA-N 436.563 0.670 30 20 ICED N#Cc1cn(CCC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c(=O)nc1O 1628649553 RCOBFTUFPLKRAZ-CYBMUJFWSA-N 425.214 0.962 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1655870612 XDTORYAYHLEHDT-HXUWFJFHSA-N 448.612 0.916 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1711073834 JUBAPROHMJZRIF-FXAWDEMLSA-N 431.518 0.840 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1711410745 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ICED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784529220 JLBYABNKJUPFBK-LIWDEWCMSA-N 438.525 0.410 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1785571883 FFLALVHYRCBWJS-QVKFZJNVSA-N 431.493 0.770 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785644840 DDFUCESKTANNDZ-ZQIUZPCESA-N 446.460 0.278 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4O3)[C@H]2C1 1788184145 JWQXZOXXUZANMX-IDAZEIDDSA-N 439.512 0.828 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788615108 XFSWNLWZFSNJML-FHWLQOOXSA-N 443.573 0.830 30 20 ICED Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c1F 1788655480 HEMCGOHPHCSGEB-VCARWTRWSA-N 437.472 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 1789372153 VRFRIONQXACIJU-VKRLORBYSA-N 437.500 0.899 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)C[C@@H]21 1790793418 FUIBXIMWFGYBRL-QJEKIYCZSA-N 447.532 0.358 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)cc1 1792556480 IFXFSYRLJXKJOX-IZZQQSIFSA-N 431.456 0.442 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793358098 PUDKCISCSOKONL-NWYQELHNSA-N 431.489 0.633 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1=O 1793547791 BVCMVZSCRBVSIU-PDZBNPCASA-N 432.477 0.118 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2C)C3)c(O)n1 1794490444 ISLCJFLTJCJPRR-ZDUSMZPESA-N 442.516 0.730 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1795599405 BJJRKXZJZOTUQZ-MIFYACCESA-N 429.477 0.295 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCOCC3)n2)CCC1 1796619155 FZRAKOYCGDHCPJ-XEMDLRDOSA-N 439.516 0.815 30 20 ICED 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CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)c(F)c1 1801899549 PZIPHCZUDJSUDP-IZZQQSIFSA-N 432.496 0.803 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1801991651 BQWMVDMLJZEHHV-FAQVEIGNSA-N 435.484 0.983 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812526562 HGMNHJVWTYZIJF-YQVWRLOYSA-N 429.521 0.963 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812942163 VLFQFFAZBYMYHA-UGKGYDQZSA-N 433.505 0.417 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C#Cc3ccccc3)sc2C1 1814012597 UQPMJPNXQZTUIB-GJZGRUSLSA-N 425.514 0.700 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=S)NCC)n[nH]1 1821640738 LDVPAEZHTXUOPR-WHLNPGIBSA-N 447.565 0.744 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825665732 XUWMXOBEFRTDFT-VIFPVBQESA-N 445.413 0.769 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1829781700 DQYBGEADNHHZRZ-IIBYNOLFSA-N 441.525 0.500 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)cc1 1829903628 ACJXIRPUWFRARP-HSZRJFAPSA-N 436.468 0.972 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1831435040 JIQRPBCASROVIL-VGSWGCGISA-N 428.489 0.995 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1831951754 SVJHCJZCWSYMAK-NRFANRHFSA-N 425.445 0.674 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)cn1 1833429811 JHRNSWNDCQHFGY-YLJYHZDGSA-N 438.550 0.900 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665469 DQLXXHJLSFPCJP-UHFFFAOYSA-N 442.497 0.476 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767726 QSDPAERLDSUAHE-OAQYLSRUSA-N 436.509 0.613 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834769037 WSRBGLIDFJDEGF-URZJWIJPSA-N 448.520 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)o3)CC2)CC1 1834831135 DCTQSDNEBIUDIJ-PLNGDYQASA-N 444.536 0.351 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1835354713 XGRFRWFFWVXENO-OAQYLSRUSA-N 427.461 0.340 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1835513689 BKCFIRHEVPCXIK-FQEVSTJZSA-N 431.518 0.563 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835645918 MNAWCSJKHQMBLB-SFHVURJKSA-N 435.525 0.316 30 20 ICED N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778111 UXGYZANYMUUKMD-FSJBWODESA-N 434.566 0.897 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808997 UTQOCNXCFBZSPZ-BTYIYWSLSA-N 429.477 0.619 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1836859136 QUKBIBFHCJIZTA-INIZCTEOSA-N 438.594 0.507 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447959 ZCZIEMXHHMYKTN-BBNMULTHSA-N 442.582 0.029 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1837664170 FUQQOXCOWBMINV-NRFANRHFSA-N 440.610 0.919 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(C)(C)O)C3)C2)c1 1838580579 KYYUZWFQYKMDPC-JOCHJYFZSA-N 431.489 0.798 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)C(F)(F)F 1838905688 SVXDMWYBEAZDFP-RBUKOAKNSA-N 441.406 0.942 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c1 1838906185 WIGPCGVWYBMPNA-HXUWFJFHSA-N 427.486 0.981 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1838950392 RONSGBIIDCQOMT-FQEVSTJZSA-N 431.518 0.645 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839225228 CJTLHFNYFUQFNB-CXJFKTAMSA-N 436.509 0.079 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839227565 UBVAVUUAGPJUHZ-KKSFZXQISA-N 444.492 0.600 30 20 ICED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487927 MFHUJKWRXGEMCZ-SZNDQCEHSA-N 426.477 0.099 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1839811180 LJVZYROWXJIGQG-YWZLYKJASA-N 441.550 0.332 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880228 DEKGKNMHTYVYOQ-KOXUSJRISA-N 431.445 0.577 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@@H](F)C1 1841517033 JPUGPDGYHFRMPQ-CABCVRRESA-N 437.468 0.873 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624048 CQJFTNHPFOXRAI-CQSZACIVSA-N 436.513 0.445 30 20 ICED N#CCC(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623351 IGKSXPWVEAIVCR-UHFFFAOYSA-N 440.485 0.395 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2)C(C)(C)S 1846301433 GTJXXLLKZKQYKJ-CYBMUJFWSA-N 442.586 0.275 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2(O)CCCCC2)c1 1848325842 CKOIUGDPZXUPFM-OALUTQOASA-N 445.541 0.999 30 20 ICED C=CCNC(=O)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9049738 SUBBUWPNAOKODB-UHFFFAOYSA-N 428.423 0.006 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 410148074 OVXZSOHGJXZJLR-UHFFFAOYSA-N 440.522 0.951 30 20 ICED COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 426682654 KKFGCCMJQMXZPK-UHFFFAOYSA-N 445.483 1.494 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2OCC)OCCO3)CC1 426942751 NOKHTGBPFFQWDX-UHFFFAOYSA-N 432.477 0.241 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 430372762 SQDMUSLGRARNPQ-QZTJIDSGSA-N 444.598 0.595 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 437394667 IWOIXDWCGIKNQG-CQSZACIVSA-N 438.506 0.663 30 20 ICED COCCN(C(=O)CN(C)[C@@H](C)CC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 438652946 PWJODQRJLJVNKT-HNNXBMFYSA-N 428.493 0.793 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)CN1CCOCC1 442011215 LNYAOYZBTIGDIT-JOCHJYFZSA-N 439.472 0.883 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 443525170 YDVKQJQSIXFKFP-UHFFFAOYSA-N 427.324 0.906 30 20 ICED CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1=O 460188797 XXOPFCSEPRYKPF-KRWDZBQOSA-N 434.338 0.932 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCN(c2ccccc2C#N)CC1 461990630 GFSCSDFMLLLIEM-UHFFFAOYSA-N 435.550 0.431 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 465417187 MOWCQJXABZDKJV-BBRMVZONSA-N 437.522 0.767 30 20 ICED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 471196414 OCRWKDWFLLQKPN-UHFFFAOYSA-N 436.534 0.916 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)nn1 476972111 UDDVQVRAJHIXFF-UHFFFAOYSA-N 431.460 0.833 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 484055582 AWIVWMCEAWJIQS-UHFFFAOYSA-N 443.547 0.373 30 20 ICED COC(=O)c1cnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]1 484577819 UYUSKWQTHFIPRK-UHFFFAOYSA-N 449.514 0.693 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 484616868 NWSMJVCSTHJQQN-UHFFFAOYSA-N 425.507 0.615 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 488983615 ROHASGLFCSEXRM-ZDUSSCGKSA-N 448.460 0.876 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)CC1 491260459 VOUNGXPQBITFST-UHFFFAOYSA-N 441.488 0.033 30 20 ICED Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c(=O)n(C)c1=O 500862545 FMHMKMFCIYMXTH-OAHLLOKOSA-N 429.502 0.317 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C 505275335 RMZJPUBHYPMUDD-MRXNPFEDSA-N 437.460 0.060 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 506910328 GTXKUVDLOXCDNE-ZDUSSCGKSA-N 442.519 0.533 30 20 ICED CN(CC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 514730304 ARFWMXWRTCIGII-UHFFFAOYSA-N 441.469 0.869 30 20 ICED CC(C)OC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 517995763 BQAIGHFZQDKXNK-OALUTQOASA-N 428.489 0.428 30 20 ICED N#C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CCO1 519279779 LIVSDRAADZTEMJ-CQSZACIVSA-N 428.430 0.834 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 530317914 MJQNMOXBJCUGAA-LBPRGKRZSA-N 433.436 0.172 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 532506804 IQQUTFFTSPFVDK-HKUYNNGSSA-N 433.578 0.852 30 20 ICED CCn1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 532816598 ICUCBBVQOICBGY-UHFFFAOYSA-N 444.517 0.863 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n(CCC#N)n1 532996116 ZOUVPQJOIPVZQV-UHFFFAOYSA-N 428.453 0.123 30 20 ICED CC(C)N1CCO[C@H](CN2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)C1 536947236 PCYDYAJUIODABN-GOSISDBHSA-N 431.541 0.528 30 20 ICED C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1S(C)(=O)=O 537367441 DJNCLPUNEHSRFZ-QFBILLFUSA-N 437.541 0.500 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 539166861 OODLHWSCNDYMNM-UHFFFAOYSA-N 445.453 0.882 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 548370091 HMKQCMZKNHXFRL-UHFFFAOYSA-N 446.489 0.391 30 20 ICED COc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc(Cl)cc1C(=O)N(C)C 556508430 KSOFACRSVQRHMJ-UHFFFAOYSA-N 447.883 0.915 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 561898818 WTRFYTWNWOTXOL-MRXNPFEDSA-N 438.488 0.797 30 20 ICED C=CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 573254920 CXAUDTFOVKDMGV-QAPCUYQASA-N 446.529 0.738 30 20 ICED COc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1S(=O)(=O)N1CCOCC1 573636091 FQSIHQVQLYRLFG-UHFFFAOYSA-N 431.474 1.441 30 20 ICED CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 588774163 BPJHOHDIUNVEBY-IBGZPJMESA-N 429.521 0.202 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)CS(C)(=O)=O 588869895 VFJTWAATVHERSL-YOEHRIQHSA-N 434.518 0.057 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](NS(C)(=O)=O)C1 603876648 HIBCDYJKFHWTMH-INIZCTEOSA-N 425.555 0.965 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C1CC1 603996453 DRSRTAYOSPCBCZ-UHFFFAOYSA-N 443.525 0.536 30 20 ICED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 615307173 PTYRJQKSDHLNMB-GOSISDBHSA-N 434.460 0.700 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003917 ZBBVNLLFACTGRU-MORSLUCNSA-N 429.473 0.694 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CC(=O)NCCOC)C1=O 726410756 IMORFEUMMPYOPC-CQSZACIVSA-N 426.470 0.665 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 728534013 CYEWXBYVQMSSEN-UHFFFAOYSA-N 428.558 0.908 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 728573810 VQZGYYRGESTYRQ-UHFFFAOYSA-N 426.565 0.134 30 20 ICED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 730390703 XZVYPGVNXUBSRS-OAZPQLMHSA-N 435.506 0.175 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 731863309 UBJBKLJEWHLAGA-MEUCICPISA-N 448.501 0.400 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccc2)CC1 732459303 RZAATQKZUSQUQD-QZQOTICOSA-N 440.504 0.551 30 20 ICED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830040 KILNAPPWKCAFTP-DOMZBBRYSA-N 429.433 0.929 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 733975102 IHTYGIZBQKWPIG-KRWDZBQOSA-N 449.577 0.420 30 20 ICED CN1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 737262967 QFKBIHWDXOSTQD-NKFKGCMQSA-N 435.550 0.896 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 748765344 BSNPUJLBVHOURN-ABAIWWIYSA-N 431.898 0.671 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c1 758198030 QKGNLEFUBKDWLC-LJQANCHMSA-N 426.473 0.698 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 761024867 QUOYCYZCWSPTAL-ROUUACIJSA-N 449.577 0.324 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)c1ccccc1 767630765 PGWLRLHKVRIFJF-AWEZNQCLSA-N 429.454 0.767 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(-c3ccccc3)nc3sccn23)c(=O)n(C)c1=O 771897171 JZKSYAZTDANLOR-UHFFFAOYSA-N 444.498 0.773 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)ccc2C)c1=O 777941286 OVLNIUZQESEFGD-CQSZACIVSA-N 433.505 0.658 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 787754070 BDRZANJAUWJHLB-UHFFFAOYSA-N 426.452 0.773 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787894601 OPZOEKNYAUAFKC-UHFFFAOYSA-N 438.326 0.558 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C(=O)OCC)n[nH]1 788602600 OVKNARCXHJEVLK-ZDUSSCGKSA-N 448.505 0.895 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21)c1cc[nH]n1 789978957 PHVXRPRSSZXJNF-UHFFFAOYSA-N 449.489 0.533 30 20 ICED C[C@]1(C[C@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)NC(=O)NC1=O 804554848 CRZXQMGVFWPWNB-CWTRNNRKSA-N 433.490 0.094 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC1(C)OCCO1 807417546 LUAJHKUQEDPYKF-YJBOKZPZSA-N 428.489 0.681 30 20 ICED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 857835270 BCZCXTUXXAPIQC-GFCCVEGCSA-N 440.909 0.115 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC 917768724 JMHWNFYIBSYTGM-UHFFFAOYSA-N 447.561 0.163 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCCCOc1ccccc1F 918872767 PVLZBMOPEHHNQC-UHFFFAOYSA-N 449.460 0.993 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)O[C@H](C)C(=O)N(C)CCC#N)CC2)c1 920621221 NCAGJHHGKKUGDE-QGZVFWFLSA-N 436.534 0.751 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1298207203 WPDOXLYZLWJGFL-UHFFFAOYSA-N 428.493 0.795 30 20 ICED CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1302427460 KONPBSWJHSNURH-HNNXBMFYSA-N 436.538 0.487 30 20 ICED CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315048492 VHYLSMQRGOINGK-UHFFFAOYSA-N 434.508 0.716 30 20 ICED N#CCC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1321510563 BPYMNUJWIXTJLG-UHFFFAOYSA-N 444.307 0.571 30 20 ICED N#Cc1cn(CCNC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c(=O)nc1O 1477962956 LXJVUODSHHJMRV-GOSISDBHSA-N 426.477 0.063 30 20 ICED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1512546322 OBYBOSLVQNHVPD-MGPUTAFESA-N 447.517 0.503 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1570246805 KMXLAZGABCEHDR-YOEHRIQHSA-N 437.518 0.757 30 20 ICED COCCN(C[C@H](O)C(F)(F)F)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1583145371 NNZUXKQUXZNBKP-RISCZKNCSA-N 437.440 0.902 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1616142151 KMRLXQZRHCTDSQ-FRQCXROJSA-N 440.570 0.950 30 20 ICED CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709437301 JHXNVQHNLZWQRV-GMBSWORKSA-N 439.586 0.616 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1730762899 NUOCGGGSWRRWIO-IRXDYDNUSA-N 440.570 0.267 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1747427343 NHUNHQQVFQLECL-LSDHHAIUSA-N 446.599 0.590 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1761478078 JTLHNLWXBQMQGE-UKRRQHHQSA-N 444.583 0.596 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829933 VOCRJFGRVXNEKI-JFVAUKISSA-N 443.464 0.097 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1777896680 JHDJJDNASMDMNU-LXHZQTKUSA-N 438.488 0.340 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1779102060 ASCKRSKDNYDAKA-JEISCHNNSA-N 439.509 0.933 30 20 ICED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)c(=O)nc1O 1780601096 GVQZCOWXGFWTAH-JOCHJYFZSA-N 437.456 0.273 30 20 ICED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)c(=O)nc1O 1780701693 UCANIPYAEZFUKM-QFIPXVFZSA-N 437.456 0.273 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)ccc1F 1781298227 CCDHCSTXDXFYSI-OAQYLSRUSA-N 441.419 0.585 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1I)C2 1781693286 IIOCZVJHCXWOJA-MLGOLLRUSA-N 442.257 0.775 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567774 ZGMJEDFOGXSABF-ZHRRBRCNSA-N 449.504 0.598 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1784746958 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MDTKPKFZLNYDKH-GKAYAJSDSA-N 449.548 0.435 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832046964 PKSMOPZNNLJXSU-IERDGZPVSA-N 436.509 0.756 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567554 OWROHBFRFQFHBI-FOIQADDNSA-N 438.456 0.444 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762833 VZJGIXWENUBTJZ-SFHVURJKSA-N 449.552 0.139 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1834084164 DQMKZRWTYIIPJD-ZJHLSYPMSA-N 427.461 0.567 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1834174346 FSQGSDHYYRKVEC-QFIPXVFZSA-N 430.505 0.189 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835365614 NQEPTPMHFHGTFA-FQEVSTJZSA-N 436.509 0.804 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835840298 KLRFUPMJOSHRFP-MOPGFXCFSA-N 442.626 0.664 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247682 BTNFRNWZNLWZMZ-CFPAGDMOSA-N 425.551 0.232 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837490772 PBXVBOZQLCYWIS-QHCPKHFHSA-N 445.491 0.989 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566991 YPYDUDFCDMRPQD-NYNQOQISSA-N 443.504 0.738 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2)C(F)(F)F 1837648240 DTMDWDJNSOSLDQ-DYVFJYSZSA-N 431.415 0.489 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837797291 FAUJOYMQAWKCGT-FQEVSTJZSA-N 440.416 0.573 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)CCC1 1837836320 VPBDUFMOUURXOF-UHFFFAOYSA-N 442.453 0.404 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)c1F 1839224223 PCJHFXBLLGCJGO-XOBRGWDASA-N 439.488 0.982 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839224713 ODOFTDBYEXQCDV-KUHUBIRLSA-N 439.538 0.646 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839227922 NGFZPAUIIKGISA-IERDGZPVSA-N 449.508 0.372 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839715102 GKFSAAKNTZOASD-IQTGRTGDSA-N 429.477 0.360 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839889761 OGHQILRIYIYAPM-PXNSSMCTSA-N 444.523 0.290 30 20 ICED CCOC(=O)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)Cc1ccco1 1840340459 LWGMFIOHTOJVBF-NRFANRHFSA-N 448.476 0.608 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1cccc1)CCO2 1840458677 UBOYFYXJOJXCEK-YLNCNTMDSA-N 444.532 0.583 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841031384 MJIUFVYGJJWPOQ-QVKFZJNVSA-N 449.504 0.286 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843325547 KSTHKOPIRSUDAR-LSDHHAIUSA-N 425.526 0.649 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838022 GZSRSVBFAYIMGL-UHFFFAOYSA-N 441.550 0.371 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1847069363 BVGVJVHVNKMISO-CVEARBPZSA-N 432.521 0.633 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1847069921 UHXQNHYBNDBTAB-MRXNPFEDSA-N 432.521 0.729 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CCCC)NC1=NS(=O)(=O)c2ccccc21 11545602 FSFDLDLRTDOOEE-AWEZNQCLSA-N 436.490 0.839 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 410154450 NWTMAYZWBHADHL-GOSISDBHSA-N 440.522 0.848 30 20 ICED Cn1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 426873548 FRFWVSQDJQYIMY-KRWDZBQOSA-N 435.444 0.372 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCC2CCN(C3CCN(C)CC3)CC2)C1=O 430674189 IHJIEEGRCXATBF-UHFFFAOYSA-N 433.553 0.618 30 20 ICED CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)ccn2)CC1 442248285 GWBZODCDRLYWKJ-UHFFFAOYSA-N 448.483 0.569 30 20 ICED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c1C#N 460431087 YFGCRAXXRRDCIJ-UHFFFAOYSA-N 425.470 0.433 30 20 ICED COc1cc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc(OC)c1OC 463621878 HMQICYJCGOUXDU-OAHLLOKOSA-N 447.469 0.966 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O 463799023 LZHPDOJCPAMGEA-UHFFFAOYSA-N 446.960 0.360 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 465413310 DKSWCGLLUKSPKU-CYBMUJFWSA-N 435.444 0.379 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 465421374 KQNLTISDGWBRBH-SFHVURJKSA-N 445.483 1.540 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 466649203 SWAKPAHYWOOBFL-IBGZPJMESA-N 448.545 0.746 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 475356903 ODFIQYRIGQPMCG-IBGZPJMESA-N 433.468 0.581 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(O)CCOCC3)nnc12 478529859 OSHHCAJFTNHLOH-UHFFFAOYSA-N 429.502 0.980 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(OC)c1 480033854 ADTXYFHIHUJQNF-UHFFFAOYSA-N 436.493 0.568 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480928399 BXTQPEJRBBDQJK-UHFFFAOYSA-N 427.511 0.964 30 20 ICED CN(CCCO)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491310158 OOJSGMZJFZSQKA-UHFFFAOYSA-N 425.493 0.442 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)cn1 497821172 RLFSSJPUHKWHMV-VQTJNVASSA-N 435.532 0.742 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)O)cc1 499782596 WBWQRAGKOKBIGO-OXQOHEQNSA-N 443.529 0.638 30 20 ICED Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n2c(nc3ccccc32)c1C#N 501218684 QHSGJIHSECBTCZ-RBUKOAKNSA-N 425.514 0.948 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)cc1 501298653 ODFBDPUHDBRTBW-UHFFFAOYSA-N 430.486 0.879 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)n1 502813261 UMTWDGWJWJYNQQ-UHFFFAOYSA-N 434.416 0.703 30 20 ICED Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1-c1cccc(C#N)c1 503014102 ZSJASALXTGSVNS-MOPGFXCFSA-N 429.502 0.280 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 505659951 LDSGZYJISYFHQO-OAHLLOKOSA-N 447.561 0.033 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 514957252 VDJQAAJERPIRGM-UHFFFAOYSA-N 428.474 0.149 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(C)n2)c1=O 523735805 VXGVIIXMWZWDRA-UHFFFAOYSA-N 436.559 0.367 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 525179716 QZCWAWBWLOFCFD-UHFFFAOYSA-N 439.513 0.180 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 534174928 LYWYVMVPFQMDBA-UHFFFAOYSA-N 444.517 0.793 30 20 ICED COCCN(C(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCS(=O)(=O)C1 541076010 VXQUGSJKNMVDAX-OAHLLOKOSA-N 435.481 0.957 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541147026 PYHRIKIYNQHZQS-UKRRQHHQSA-N 448.480 0.656 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 549656791 RAJPGWUONXASBU-MRXNPFEDSA-N 441.602 0.455 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1=O 556984200 CNHJSOWJZDMNIS-FXAWDEMLSA-N 428.533 0.769 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 577874795 XPTOJOOCIHIVJZ-UHFFFAOYSA-N 433.534 0.880 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 589437915 LCIKRTNEAPVGSP-UHFFFAOYSA-N 430.494 0.475 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCO)c3ccccc3n2)CC1 590612346 VLNNRJOYIZURHG-UHFFFAOYSA-N 438.513 1.417 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Cl)c2F)c1=O 610734256 NYSNFNOFPJTPSK-UHFFFAOYSA-N 448.907 0.572 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 623230558 AHBNHHVEAGOMBG-UHFFFAOYSA-N 448.501 0.180 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 726043847 TXFSIVJZXGZGMH-AWEZNQCLSA-N 446.435 0.383 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O 726587275 WJEYEPGDDIYOGJ-UHFFFAOYSA-N 433.472 0.596 30 20 ICED C#CCN1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 729812283 QVBUOTZAFATFQH-LJQANCHMSA-N 433.530 0.794 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)c1 731347924 YJYVCMJRYAQZKA-UHFFFAOYSA-N 427.548 0.484 30 20 ICED CCNS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 731759202 KCBFUTZWRATNBR-UHFFFAOYSA-N 437.501 0.636 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 732564308 JXASGVUKCQVXOM-UHFFFAOYSA-N 425.445 0.137 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSc2nnc(-c3ccco3)n2CC)CC1 733149863 VDBWQZLNTNXTTG-UHFFFAOYSA-N 430.534 0.934 30 20 ICED CC[C@H](C#N)Oc1cc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)ccc1OC 733644676 GGLBPKADWIZISD-MRXNPFEDSA-N 440.522 0.837 30 20 ICED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 733667439 ZEECGXMWIMJIPE-OQKWZONESA-N 449.533 0.519 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)CC1 735923194 OUPSIYKTROPMGP-UHFFFAOYSA-N 434.562 0.614 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 747818170 HHUNUZZBBIMYCU-UHFFFAOYSA-N 426.517 0.237 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1=O 751673374 LSFGAIBAGWQSPV-AWEZNQCLSA-N 433.467 0.841 30 20 ICED N#Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccc1N1CCC(O)CC1 754960001 QVDYEXFNSYCOPM-UHFFFAOYSA-N 427.486 0.955 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br 756153771 KQPYDTYNVJQEKF-UHFFFAOYSA-N 433.280 0.891 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758077832 TXTZKVZBNFFMSJ-CYBMUJFWSA-N 426.454 0.105 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 761028926 LMEWYBVIUSBVNP-CYBMUJFWSA-N 425.467 0.016 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 761032323 HFBYRDPIYKJXES-MRXNPFEDSA-N 438.550 0.136 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 762980877 FRYVVTYYGXOTFQ-HXUWFJFHSA-N 427.526 0.747 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 777296093 JATBORZREKQUGR-CYBMUJFWSA-N 432.433 0.746 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780052077 WULWWRPQKHXNNY-OAHLLOKOSA-N 437.522 0.647 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)[C@@H]1CCCOC1 780621937 ZZZWYNPVZXRURZ-CQSZACIVSA-N 443.547 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782249717 LKVVOULPEADHSB-UHFFFAOYSA-N 439.493 0.122 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 783478213 BEENETWQTLSDEQ-ZIFCJYIRSA-N 447.557 0.883 30 20 ICED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 785438472 YRBINFVIVDGLKT-UHFFFAOYSA-N 436.515 0.638 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCn2ccnn2)CC1 787627675 KXSDUHBKXBUADO-UHFFFAOYSA-N 425.405 0.680 30 20 ICED Cn1cc(S(=O)(=O)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C)c(=O)n(C)c1=O 794524218 VMXFOGCQHGYFTM-UHFFFAOYSA-N 431.515 0.384 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc[nH]n1 796875662 VRIDNUYMANRPEC-LBPRGKRZSA-N 425.492 0.368 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)c2ccccc2C1=O 803544906 LTIBXQKFALVIBF-UHFFFAOYSA-N 440.481 0.918 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@H]1CCCO1 804734726 XGIBAHFWXQSKPQ-JKSUJKDBSA-N 441.575 0.734 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CCN1C1CC1 806896717 KKAKBNPBOSKNBV-XYJFISCASA-N 437.500 0.221 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 815896496 JESNEUAJZPJONB-UHFFFAOYSA-N 426.454 0.980 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 853705534 OLQHPJVWSVVXDM-ZDUSSCGKSA-N 444.469 0.767 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 915299696 BKWNIJMBRHDYEN-UHFFFAOYSA-N 428.536 0.046 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2cncn2)c1 918255364 KVAHMCKTHUNYAY-KQWNVCNZSA-N 433.494 0.236 30 20 ICED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1299315083 PLAXLTKMRMEPRN-HNNXBMFYSA-N 447.569 0.740 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Cl 1307599441 LTBCNLKUEFVVCU-IAGOWNOFSA-N 426.926 0.316 30 20 ICED C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCC(F)(F)F 1318476502 XXAKKBHRGDNIPT-GXFFZTMASA-N 425.367 0.946 30 20 ICED C[C@@H]1CN(Cc2cccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)c2)CCO1 1477573451 QTOCFSMIOIBFAJ-OAHLLOKOSA-N 426.477 0.541 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1503282157 JOPJFHFIPHIQDL-UHFFFAOYSA-N 446.537 0.217 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1505122137 PFDKWJXINFKWKC-MRXNPFEDSA-N 444.517 0.604 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1507854135 NEHPOCHYKRESEQ-LBPRGKRZSA-N 431.950 0.635 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1690346682 ZLMHXNCVSKSPPK-OLZOCXBDSA-N 432.934 0.065 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1692767174 UOZBAGSUCJLTAS-ZDUSSCGKSA-N 429.510 0.573 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC=CO2)C1 1698314080 VYQLQVBYYDSGTD-PMPSAXMXSA-N 438.510 0.032 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1731010600 PXBOIAMVOCFJPG-QGZVFWFLSA-N 449.581 0.926 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1741803745 SKFRIIRNNYWRHX-IRXDYDNUSA-N 437.614 0.945 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1761428592 WDVVGAZNXSWBCQ-OWCLPIDISA-N 425.559 0.349 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1761478079 JTLHNLWXBQMQGE-ZFWWWQNUSA-N 444.583 0.596 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@](=O)CC 1766397107 YKDXPYQQQMKRDN-SSEXGKCCSA-N 434.570 0.823 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1767144917 JIUREQVTDFHLBJ-QZTJIDSGSA-N 425.541 0.737 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1769516380 LJULRHMYABIIRG-WIYYLYMNSA-N 429.477 0.732 30 20 ICED COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1769853686 JBYLLVXGZDJDGU-JKSUJKDBSA-N 442.476 0.386 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771369276 OXMIUYRBTUIHIM-SFHVURJKSA-N 440.533 0.543 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnc(O)nc3O)C2)c1 1778007568 MSEBWTGGDJBHBO-FOIQADDNSA-N 426.433 0.529 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779068839 KWLAVMJQOKTUDF-OFNKIYASSA-N 442.468 0.363 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1779107070 ROQNAJRIWZJBDW-CCTNSLRFSA-N 445.520 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1779140923 KHDAGQLXPDEXBA-GPMSIDNRSA-N 427.592 0.898 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343000 CRKDYLIGOMJYKF-ZZAWEDPDSA-N 444.536 0.840 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)n1 1779395393 USCMFBGWUQZLIH-DYESRHJHSA-N 429.521 0.641 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779877267 SYMDFTXRGQOFFO-QFIPXVFZSA-N 434.456 0.513 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)ccc1F 1781302316 MXTIBECRGKIIHO-OAQYLSRUSA-N 426.452 0.752 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128016 KBJKACSDBDDORY-NYHFZMIOSA-N 429.473 0.832 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195769 IPCWOLQLVAUXBU-QFIPXVFZSA-N 438.488 0.650 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21 1783530700 UBQRGKHYAGNMNO-ULPAQXSLSA-N 437.500 0.786 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784019239 DUUJZYJWZHOBHO-IECBHUPTSA-N 439.512 0.855 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nnc(C)s3)[C@H]2C1 1785321951 BJLFWZYZMIOYDG-ZOQUCXFZSA-N 447.561 0.617 30 20 ICED CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nn1C 1786859099 KINKYASRPDWPQV-IEZWGBDMSA-N 430.553 0.858 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788603538 LCWJXVUZCQMVRA-BJFWAEOESA-N 446.508 0.012 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)c1 1789259021 DXLQXNJRHWOOAS-LPWQTFTOSA-N 440.500 0.686 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588330 DGIKUFUWTRLVIM-ULQDDVLXSA-N 434.493 0.524 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C1CC1 1791073329 ZROHJQPDPAEOQO-XIRDDKMYSA-N 449.504 0.454 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccc(Cl)cc4n3)C[C@@H]21 1791076454 FOYUFAVVMFWFBH-NOLJZWGESA-N 430.848 0.669 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1797346322 NBPQHVQZVXJZRP-ALXJQNPVSA-N 427.461 0.671 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1797836377 VBENFTGTRMSEDI-ZFQQLPINSA-N 431.424 0.698 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)ccc1F 1798384702 SFCLYPHQEVTZIN-CCWDJLKJSA-N 425.420 0.639 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1799374739 BCUSGAYHOIJFRC-NNNWTRQLSA-N 437.496 0.920 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)ccc1Br 1800518433 PFBWZEXFYZHKMO-ZSBFGKGUSA-N 449.305 0.789 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H](O)Cc1ccccc1 1800635023 VTEIPIAGFNRUIB-QRFGGRCUSA-N 445.516 0.709 30 20 ICED C#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)C2 1802125289 SAJWSTKALHTERP-CWQOZTLDSA-N 437.537 0.510 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1803509193 NOUMATKZCUBUIX-OIISXLGYSA-N 433.534 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803641571 DZWRJSUNMLQVJJ-MGYZEBLHSA-N 427.461 0.054 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCC4(CCCN(C(=O)Cn5cnnn5)C4)CC3)c2c1 1810158434 ZZEVOKZIRNHMFH-UHFFFAOYSA-N 433.476 0.966 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812391581 CKUNJJNZQJCGFA-ZBFHGGJFSA-N 438.431 0.842 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815778325 XOCODHMOMOKWOX-HJMLNICGSA-N 433.494 0.876 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(N)=O)CC3)c1 1821392162 MPDVFERKBITYON-GFCCVEGCSA-N 428.474 0.917 30 20 ICED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829225395 FPLBBSMSCRXYJA-JTSKRJEESA-N 441.488 0.487 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1829765527 YZRPAEVOWRXKFB-UDLOZWLNSA-N 443.500 0.035 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829807162 KMNCBZSRJWSWBR-VGSWGCGISA-N 427.505 0.752 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469529 AYDWUNJZRSQWNG-JOCHJYFZSA-N 447.919 0.674 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831397268 WQKGGXZOIHTWDN-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832679818 IUTYPRQLOROSBC-QFIPXVFZSA-N 447.488 0.426 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1833705211 QXGNZRVAHPIQSW-UHFFFAOYSA-N 448.526 0.202 30 20 ICED Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1834048911 BCBHRDQUHHOICU-ZZAWEDPDSA-N 429.521 0.932 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc1 1834377276 PHUFGQHOOPAWLC-YQNSVDCASA-N 429.521 0.932 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834985467 FUFGINMWQKZORU-OAHLLOKOSA-N 430.505 0.716 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835103250 ZRQSBYZIBRVOKF-JOCHJYFZSA-N 426.469 0.448 30 20 ICED COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835340604 BPNUHVCHHYFSLA-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1835667491 FQSAAQBMFUQDLX-UWJYYQICSA-N 434.493 0.051 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768859 LSTDBEKFZMDYEC-ODAUKNCYSA-N 434.493 0.175 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837140353 UINQDKUJCDJWNV-MPBGBICISA-N 433.486 0.210 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[S@@](=O)CC)CCO2 1837235081 OLFNSIYBDMWISQ-WRONEBCDSA-N 430.567 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837396995 QGEFQCMUECNTFZ-MBSDFSHPSA-N 442.516 0.977 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440865 CGQHRLSSSPKJNA-UQQIOGDDSA-N 430.509 0.327 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837489737 SMRPLZWTUULDDH-QHCPKHFHSA-N 444.532 0.347 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1837662923 KBPDQSIWTAZIJC-IERDGZPVSA-N 425.526 0.498 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1838950573 PIXSQKGLWMKKGY-QFIPXVFZSA-N 438.440 0.341 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1839175726 AUWUPIPJTHXZBU-NRFANRHFSA-N 435.477 0.491 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450867 LENYVBUXDDBDES-MBSDFSHPSA-N 425.485 0.975 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840164579 BEQJKSPWGUNXGF-LIRRHRJNSA-N 443.566 0.818 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813535 FHFQMKIOPCHVAR-NRFANRHFSA-N 431.493 0.293 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1841748781 PNZGPELDHHHOIG-HNNXBMFYSA-N 446.504 0.584 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1cccnc1 1846194630 YAXXCBDCHPLPRJ-SFHVURJKSA-N 442.472 0.939 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1847804126 DWDQVFCSSHZVPM-BDXSIMOUSA-N 442.516 0.862 30 20 ICED Cn1cnc2c1c(=O)n(CCCN1CCN(c3oc(C4CC4)nc3C#N)CC1)c(=O)n2C 29228642 FXKSRFALNVBGGS-UHFFFAOYSA-N 438.492 0.383 30 20 ICED COc1ccccc1/C(N)=N/OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 105032203 OVJBQGPNWOUDMT-UHFFFAOYSA-N 448.501 0.992 30 20 ICED CCNC(=O)c1cccc(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 109086827 CSWGWAUDEMAWEN-UHFFFAOYSA-N 428.493 0.661 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 410173414 YGPLRRCSSQVIBJ-FQEVSTJZSA-N 442.564 0.727 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 427705272 HVPBJKIDCAPSKF-INIZCTEOSA-N 429.564 0.342 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCO[C@H](C)C2)O1 430484953 IGVHAPMRBRTQLW-VVBPWWLESA-N 438.488 1.322 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1C 440374186 KRMIZHYBANEVAL-MRXNPFEDSA-N 430.490 0.579 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3nnnn3CCN(C)C)CC2)cc1 444409250 WILFCHGCKYQSFO-GOSISDBHSA-N 444.565 0.744 30 20 ICED COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2OC)cc1S(N)(=O)=O 464201069 YHHZOXIJGLKLGJ-UHFFFAOYSA-N 425.488 0.744 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1C 504180674 GDXOFOQENSHZFD-UHFFFAOYSA-N 427.490 0.359 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 507442057 JXBJWUXEFJGLHB-KRWDZBQOSA-N 439.476 0.232 30 20 ICED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508907768 OUWOJYNRMGLMOQ-IXDOHACOSA-N 440.570 0.444 30 20 ICED CCOCCOc1ccc(Br)cc1NC(=O)C(=O)NCC(=O)NCC#N 508942026 LUYOSHAKRMSOQX-UHFFFAOYSA-N 427.255 0.559 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCN1Cc1ccccc1 513063513 IBQSUNPLKSMKHB-IBGZPJMESA-N 447.499 0.193 30 20 ICED N#C[C@@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@]12C(=O)Nc1ccccc12 513661624 UCIDCIPQQMBPPA-WAIKUNEKSA-N 433.468 0.512 30 20 ICED CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CC(=O)N(C)C1=O 513932567 XYTUOPUDZYAVGH-JKSUJKDBSA-N 425.445 0.759 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 551166246 MEWLIVAYZTXCGU-IBGZPJMESA-N 444.555 0.926 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 556099245 OEWZWWLQFHEEDW-UHFFFAOYSA-N 426.433 0.918 30 20 ICED N#Cc1ccc(CSc2nnc(NC(=O)NCCOCCS(N)(=O)=O)s2)cc1 579487550 RNAPVKJABJISGU-UHFFFAOYSA-N 442.548 1.129 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)c1C#N 584691226 WYMBBUBANQGRKA-UHFFFAOYSA-N 441.452 0.725 30 20 ICED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 588869088 XUUOOFPIDPBCGT-JKIFEVAISA-N 434.518 0.055 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 590272804 HMWHOPHPSNSQEP-HNNXBMFYSA-N 429.458 0.480 30 20 ICED N#CCc1cccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 619477671 XLZXHLWSPZOAGT-UHFFFAOYSA-N 434.562 0.992 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 725832438 IVYAARDENVAWSN-UHFFFAOYSA-N 425.486 0.838 30 20 ICED COc1ccc(CC(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 731771393 FKFPTOBYTOVRQJ-UHFFFAOYSA-N 449.489 0.152 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 743900792 QNKUWWANANIICA-UHFFFAOYSA-N 429.429 0.186 30 20 ICED Cc1noc(C)c1S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744005048 MCVNVAJBZFXNPI-VIFPVBQESA-N 426.476 0.614 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)N1CCNC1=O 744594632 SXTVZWISOFGXQB-ASSNKEHSSA-N 426.429 0.635 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 746159436 KRANRGJSZRFFAC-FMQUCBEESA-N 432.502 0.826 30 20 ICED C[C@@H](ON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749792367 NLUWDDXUQLILNQ-QAPCUYQASA-N 438.550 0.190 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1 757234481 VZUBJUBJEOUMOR-ZOAKPAGHSA-N 448.505 0.021 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(CC)cc2)c1=O 758050176 DLWSQVGYSMAGBX-UHFFFAOYSA-N 434.565 0.773 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)s2)c1=O 763298923 CRBKLWRULSWMOC-LBPRGKRZSA-N 437.543 0.280 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)cn1C 765236934 MKFUJZZWSWTFOM-UHFFFAOYSA-N 427.483 0.435 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc[nH]n1 772144399 BZPDBVNXAPQHOR-UHFFFAOYSA-N 442.476 0.720 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)no1 780049952 DDUJEAVEXQKFPA-OAHLLOKOSA-N 440.460 0.995 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)nc12 782558600 RNQXSZKNIYZJDL-UHFFFAOYSA-N 432.396 0.422 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 782903645 ZTKFTYRIIAWPBA-UHFFFAOYSA-N 440.432 0.890 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 783480144 OXTMSWIXTOPOBC-INIZCTEOSA-N 447.513 0.800 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 783538628 DBQAHISCXKHFRD-ZDUSSCGKSA-N 426.491 0.782 30 20 ICED O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cn(Cc3cccnc3)nn2)cc1 783701768 LPOVSCDHIACWRP-VMPITWQZSA-N 427.442 0.980 30 20 ICED COC(=O)c1cn(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 803643848 BNWTVHDTGWYUGU-CQSZACIVSA-N 448.505 0.334 30 20 ICED CN(C[C@@H](O)CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)C#Cc1ccc2c(c1)OCO2 820275509 PURRJKYYOLUSAG-SFHVURJKSA-N 448.431 0.483 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 838166915 SPTYEWYHUXHBIT-ZDUSSCGKSA-N 446.485 0.119 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 914653393 PSALLAXUDGGXNY-OIISXLGYSA-N 431.470 0.242 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1256377129 WAKUKMYLYLSANJ-UHFFFAOYSA-N 449.536 0.692 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1291278233 RORKXPBGUCUBLO-INIZCTEOSA-N 426.477 0.813 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312627646 WOJMWYUDWRYBMY-IBGZPJMESA-N 440.504 0.039 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n1C 1473069301 NMLRWURUTAXSLU-UHFFFAOYSA-N 431.474 0.150 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1501218067 PDFRIXDLKZLHAV-QGZVFWFLSA-N 425.493 0.970 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1554481800 PFKNAIIDPZEIOP-UHFFFAOYSA-N 436.520 0.353 30 20 ICED CCOC(=O)c1cn(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1634505407 KWXOGXPUGFZBMJ-ZDUSSCGKSA-N 433.490 0.693 30 20 ICED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)nc1 1683669815 YKFOVDCPZVABOF-HXUWFJFHSA-N 427.553 0.581 30 20 ICED CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1723119716 YVNNHVNCOSOURL-CVEARBPZSA-N 438.554 0.776 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1741918348 OCGASQSVUMJRJU-CYBMUJFWSA-N 425.559 0.791 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1763267388 MHDPXNKRSBDNDD-VHFSOBRXSA-N 431.518 0.980 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1767862228 QESXVZSFXNRUEI-KRWDZBQOSA-N 426.449 0.987 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)ccc1F 1778832922 NQDFGAWBUVZUHZ-IYZQMXKPSA-N 440.475 0.905 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892731 ISNVCUGDVNLELW-KQFRHJRUSA-N 434.415 0.394 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)cc1 1779938609 NJFKAWCPIFCIRC-UZUQRXQVSA-N 448.483 0.888 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780187521 DXTLXQIYNCTSRQ-FQEVSTJZSA-N 433.896 0.926 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nn[nH]c2C(F)(F)F)C1 1780200272 JCADIKOEOMRLKC-QLJPJBMISA-N 429.355 0.039 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(-n3ccnc3)ccn2)C1 1780212791 HEBYHCLZURZYKJ-XMSQKQJNSA-N 437.456 0.483 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cccn2)C1 1782552901 AVTLVBDMHXJEAL-YHFFNLHLSA-N 429.521 0.816 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1784597945 HPZWSUWHYRYKPH-VLIAUNLRSA-N 425.449 0.258 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)c1 1785170715 UFFXDIRQURFQBQ-LNLFQRSKSA-N 436.472 0.305 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1)C(F)(F)F 1786260235 NCLFROXSMGBJTM-HUBLWGQQSA-N 441.410 0.338 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1786368313 BMBDXHXBKJLCSZ-HVAMYJMISA-N 426.517 0.515 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)cc2C1 1786698196 XOBREZCKJRIYHC-IEZWGBDMSA-N 426.521 0.616 30 20 ICED N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)c1ccccn1 1788631653 RWBGHXZNLZAGCS-JEEBJRHZSA-N 440.544 0.760 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788725931 NKXPSQHBISGZAC-JOBZCOHHSA-N 428.493 0.606 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790522849 CSOLPLSSPFPYNO-IGGJEDBVSA-N 445.564 0.903 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1791276597 PFIREFICAGMTQM-XIRDDKMYSA-N 427.461 0.848 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145367 KMPICZYMQYXMJD-IWFBPKFRSA-N 442.516 0.831 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1796316514 HZVAEGYWONVERJ-DMUMMCEESA-N 427.505 0.527 30 20 ICED 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)CC#N)C3)C1 1797120787 HPTVXVBRBLWVMG-IWSXDTNSSA-N 436.509 0.108 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798578395 KEYFUVNVXQZMLG-PJKMLTEKSA-N 426.473 0.461 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)c(O)c1 1799846930 HSRMXEWQHATFJJ-NYYTWLDWSA-N 429.473 0.592 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cc1F 1800658632 UDMQYYDOIYRJOG-JLRLZTEKSA-N 433.455 0.955 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1802022330 QCYYQWUCSHGWAP-GNXNZQSNSA-N 442.257 0.631 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1803515440 RXGCSWCEBXPDRZ-PKOBYXMFSA-N 449.577 0.804 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804093466 AGRRYJGVAHRYDI-ALKREAHSSA-N 444.492 0.440 30 20 ICED CC(=O)Nc1cccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1804832736 UGQWVYMRXSHTMY-IIBYNOLFSA-N 435.440 0.843 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810390806 URNJJWAVFYYFRS-VPAIBHJVSA-N 440.504 0.392 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1811517584 VJXDXPUMLQDHQT-LSBZLQRGSA-N 446.460 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)N(C)C)[nH]n1 1814433782 GHQOEYAXWDTCNP-WHLNPGIBSA-N 431.497 0.531 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529763 GUXCDXZOGFAYKN-HNNXBMFYSA-N 443.460 0.836 30 20 ICED C#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826649865 FGITWMQRWZNBBW-CZUORRHYSA-N 428.518 0.939 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913383 RZTNJQWEXSPMNV-GOMNRAIOSA-N 434.585 0.671 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829627460 DFRRYUIZXPBSIH-JTHBVZDNSA-N 429.517 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(C)s3)C2)C1 1829764786 VJLNNPYLQPYTOV-BBIZLLLXSA-N 434.518 0.380 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1830459101 QSBCNOAWJSLDJA-JOCHJYFZSA-N 438.488 0.239 30 20 ICED O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)nc2N1 1831214876 AGQQYMKUVWZJEY-QHCPKHFHSA-N 438.484 0.450 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1831402731 PZDVFOYIPXDHRU-PWHSHALESA-N 429.517 0.755 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831424927 ODSBHLQUGXHWNU-KSFYIVLOSA-N 447.488 0.514 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1831493780 UPXLLJHUZLAIJP-CURYNPBISA-N 425.595 0.737 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1C)CCO2 1831820783 GIYGHHRVKWYDSN-DYRFGFBLSA-N 428.489 0.318 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783730 OUPJNOJKAQMCNS-IERDGZPVSA-N 436.509 0.783 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833473440 LHKIFICSOXYJQE-HNNXBMFYSA-N 445.520 0.951 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833765232 TYSVGZZAYXUVCF-HNNXBMFYSA-N 441.479 0.368 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1834716644 HWGXHZOOAFPDLG-UHFFFAOYSA-N 446.552 0.634 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097052 QJIWXVMGWKCNML-DEOSSOPVSA-N 448.479 0.302 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835901452 LUUHQDHUDDROLY-NZQKXSOJSA-N 428.533 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C)[nH]n3)CC2)CC1 1836145757 VLXNFBNHJVVULL-PLNGDYQASA-N 428.537 0.762 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419059 PSYVHZUGCDTBHP-VLIAUNLRSA-N 436.465 0.364 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836483371 AGXOVQQKSNUVGY-UWJYYQICSA-N 447.467 0.214 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808494 LMDODOSFAQKXAY-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253646 NOIUSRVNTWVUIQ-VOFKWLDRSA-N 427.448 0.489 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524614 CPDIWAGYWLKMGX-GIFRWZEPSA-N 446.504 0.989 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837564272 FETSTJFWQRYTRO-OJJSKHJLSA-N 447.879 0.912 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567487 MXOTWNDZTDVRRP-IVEDSDBVSA-N 443.504 0.921 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1837844755 JWZVMVKGKRJUBZ-UHFFFAOYSA-N 442.520 0.662 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839036828 PQTHRZYULJCGBH-BTYIYWSLSA-N 432.452 0.314 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)ccc1F 1839187650 PAMBXERBORIOGB-QFIPXVFZSA-N 439.447 0.800 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)C2)C1 1839806775 XXDVQSPHRSCJJG-FCHUYYIVSA-N 435.521 0.866 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839890013 CDDFROBXDOHKRT-SFHVURJKSA-N 430.448 0.998 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=C)C(F)(F)F)CCO2 1839890941 CLYZAUJTNSHCRF-XDXAGZTOSA-N 431.411 0.420 30 20 ICED C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044107 LBZSUSKXTHZLJA-YWZLYKJASA-N 433.486 0.107 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840493115 AOOVMCQDXQAUFE-BTYIYWSLSA-N 426.477 0.723 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)n(C)n1)C2 1847070036 CIRYXLMDEQIVAA-CQSZACIVSA-N 431.493 0.859 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847457333 MKCXHFGDOSNXCJ-IRXDYDNUSA-N 425.441 0.057 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 16164027 KNIRVAGLGWFGQA-ZDUSSCGKSA-N 428.467 0.247 30 20 ICED CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 21593292 IQQSOVSXBKTGQJ-UHFFFAOYSA-N 427.461 0.787 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 409570197 KNIUYPVZRCWUNQ-UHFFFAOYSA-N 431.522 0.955 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1=O 440269043 PYNGANMWLKSFBE-INIZCTEOSA-N 445.501 0.460 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCOC1 441934644 NCSAWMXIUKZRQU-HNNXBMFYSA-N 443.500 0.899 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 465508187 JOQYZPYFEDSOQP-CYBMUJFWSA-N 425.478 0.438 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)o2)c1=O 471206329 DOVIOOOWBSWFQJ-UHFFFAOYSA-N 445.541 0.854 30 20 ICED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 476557446 ZTZCSPSNCJSUDS-RBUKOAKNSA-N 445.497 0.646 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccccc2C(F)(F)F)CC1 476862703 PBKDERJTOIQZID-UHFFFAOYSA-N 426.439 0.811 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)CC2)o1 487980770 WKTRHCAWADSRQU-QFBILLFUSA-N 426.521 0.979 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2cccs2)c(=O)n1C1CC1 488053404 GIDBADQRKZSIRB-UHFFFAOYSA-N 435.552 0.066 30 20 ICED C=CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C(=O)OCC)cs1 501943547 MLYJGBYIPNZNHE-UHFFFAOYSA-N 446.489 0.676 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(-n5cnnn5)cc4)n3C)CC2)c1C#N 508582288 LOHWKIROLQINLS-UHFFFAOYSA-N 430.480 0.698 30 20 ICED CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(CC(=O)N1CCN(S(=O)(=O)c4ccccc4C#N)CC1)C[C@@H]3C2 511680977 JWBHKJBCIHXOIG-FHHGAAIESA-N 444.557 0.746 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 515486768 BPNMPQVSBGYQGR-UHFFFAOYSA-N 433.486 0.954 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 516274544 ACIJJGAFMOTOSG-HNNXBMFYSA-N 445.549 0.982 30 20 ICED Cc1noc([C@@H](C)N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 518418819 JBJKQNQHVXANJY-CQSZACIVSA-N 432.506 0.776 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2=O)cc1 519846781 UGYFGNVYLUVLSW-IBGZPJMESA-N 443.467 0.672 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1Cc1ccon1 532449129 VUAQZXUGAATEFE-UHFFFAOYSA-N 445.298 0.958 30 20 ICED Cn1cc(C#N)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 534243101 QQMUMCRLERUNPX-OAHLLOKOSA-N 436.472 0.788 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 539355866 HCPOCLCQAJYOPN-UHFFFAOYSA-N 430.534 0.799 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 546878108 FIVAHNZTLPFOGQ-CYBMUJFWSA-N 449.407 0.646 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)O)CN2CCOCC2)c1 548217824 RFIFGDCEVNDRGF-MRXNPFEDSA-N 425.507 0.446 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c2ccccc2O1 551544210 PLQPQODYOBWABC-LJQANCHMSA-N 435.440 0.569 30 20 ICED CS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 560148191 VFGFHKQMIAVHMP-UHFFFAOYSA-N 433.465 1.105 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 560427311 MEDIURDJMVBNFW-UHFFFAOYSA-N 443.916 0.852 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 561759143 OZSRGZFTGONPTJ-UHFFFAOYSA-N 441.532 0.597 30 20 ICED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)CC1 569345740 XXNCVAMRTXVNDW-UHFFFAOYSA-N 439.564 0.277 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589300704 RXPYOYNVMDNTNG-UHFFFAOYSA-N 434.478 0.656 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 590544943 XYZAQAJGPRKMQM-LBPRGKRZSA-N 442.505 0.982 30 20 ICED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c2ccccc2O1 604131433 MPFAPOJHLDYLIV-KRWDZBQOSA-N 439.476 0.233 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 604218794 KVYSKCOJPYLQNZ-UHFFFAOYSA-N 433.432 0.687 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 604506670 DYKSSYXHCWCFLE-UHFFFAOYSA-N 437.456 0.387 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(Cl)c1 608884190 NLHZTLZAESPIIY-UHFFFAOYSA-N 429.889 0.544 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)COCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 609458572 RXYFXVWFHLBGQD-BGYRXZFFSA-N 432.569 0.388 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)cc1 642791381 YPZGRIFOTNNFMH-UHFFFAOYSA-N 428.474 0.791 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CCCN1c1ncccn1)[C@@H]1CCCN1c1ncccn1 681340568 KXVMYIYBZOHQLO-HDICACEKSA-N 434.504 0.140 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1 728533081 VARKQJFFNAMULI-UHFFFAOYSA-N 426.546 0.870 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 732797498 QBGZUPDJDMRPAN-UHFFFAOYSA-N 437.525 0.846 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 733150304 HIXOYYWTUISIHS-FGTMMUONSA-N 448.589 0.177 30 20 ICED CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737306190 MMZDUKLFNRRNJN-SWVVXTGBSA-N 426.429 0.844 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742674029 FZUGJETVWAURAJ-CHWSQXEVSA-N 428.536 0.044 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 749511987 QJSAWVUZUNRDAZ-OLZOCXBDSA-N 428.536 0.044 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544869 GLSJDFJPSWGUKT-RYUDHWBXSA-N 433.469 0.365 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2cc(Br)c(O)nc2=O)C1 757594473 QRUCZYKJHZCZOJ-GXSJLCMTSA-N 442.270 0.587 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758588530 IGRWYIAHTVMCBV-UHFFFAOYSA-N 439.541 0.509 30 20 ICED CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759497048 OJDZLYRWKMTGSZ-CHWSQXEVSA-N 449.476 0.845 30 20 ICED Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)s1 765143828 BKOHRUHIMFUGMH-UHFFFAOYSA-N 427.511 0.801 30 20 ICED C=CC[C@H](CO)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 775456330 ZGEOMCWWVHBNGE-AWEZNQCLSA-N 449.551 0.275 30 20 ICED C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)[C@H]1CCCO1 775469778 GVHRYTPXPYYRMI-BHYGNILZSA-N 441.531 0.454 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 779033241 PNNQZWJVOVIECX-PKJRHQKLSA-N 434.478 0.267 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 793203643 FJCCRCLFRDTHEH-AWEZNQCLSA-N 442.475 0.498 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 801288272 RWFFWZDRBGZASC-UHFFFAOYSA-N 429.521 0.940 30 20 ICED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808033846 GVFFCPYRIOFUNA-NVXWUHKLSA-N 428.493 0.585 30 20 ICED CNC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1176122205 SJMDRUKIVLOKKB-OAHLLOKOSA-N 441.492 0.848 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1189107995 VIYGAMXTGMWULE-UHFFFAOYSA-N 425.536 0.660 30 20 ICED Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1223665915 WNWXYTGDUKPHDN-GOSISDBHSA-N 426.477 0.502 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 1296290106 YEHIHEORVZMNIZ-WJOKGBTCSA-N 443.577 0.843 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1316359897 MKSMTVKMJPYNQU-UHFFFAOYSA-N 443.533 0.472 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1 1318164940 CIVAYDJPXNWHLI-GOSISDBHSA-N 447.499 0.556 30 20 ICED C=CCOC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)O 1345172066 CEOVACBIMGHSKQ-MRXNPFEDSA-N 440.522 0.078 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519615153 ZKUPMQKRDROWJT-UHFFFAOYSA-N 441.521 0.416 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1619211199 UZQKIGDNXCZZFV-HXUWFJFHSA-N 439.520 0.847 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CCO1 1698490992 NOXNFPIDRCRHEX-HNNXBMFYSA-N 428.522 0.703 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1751193376 KFTGYFIMVIXERE-AUUYWEPGSA-N 434.522 0.548 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1761479860 XYJJQXCHWKAFEN-HNNXBMFYSA-N 439.586 0.475 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1=O 1769077502 NORIACKCRMAMGT-UHFFFAOYSA-N 439.476 0.849 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778595048 UJHWTFOBPCWRNO-OVRHDEQLSA-N 425.493 0.645 30 20 ICED N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccn1 1779104624 NBKMCIZPJOJKER-PDUGZXJSSA-N 431.493 0.440 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1)C(F)(F)F 1780021686 LIYDYKTVOUHDKT-SFHVURJKSA-N 439.394 0.893 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1780176268 QTRBGGQKUOVHOL-ZHRRBRCNSA-N 426.473 0.537 30 20 ICED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)c(C)n2n1 1780335559 ZWAWATMCCXLZAQ-NRFANRHFSA-N 434.460 0.698 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c1 1781150036 XCDSULOZLQEKBC-AUSIDOKSSA-N 438.532 0.834 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1783475905 ZUFDPWILWLOXNX-MQNAVGNWSA-N 447.532 0.866 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc(C(F)(F)F)n1)CCO2 1783558274 WJINIDGWDIGXHB-GOSISDBHSA-N 425.363 0.561 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1784485785 RHLDMVJILIZEOS-CVYDXHPNSA-N 430.505 0.557 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1785019403 URPOCZKQYCVBQY-FHWLQOOXSA-N 444.594 0.955 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1)C(=O)O 1785080463 XXAZOQWMVGSJEQ-LDJQZATESA-N 428.489 0.820 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786869624 AGNCFBKQTITVSD-ZTTFOMCMSA-N 430.505 0.571 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787489823 MRNUTJYIKHEEQA-QZWWFDLISA-N 432.477 0.330 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1788656430 OXUANUDAMUVKKI-LVECGJMQSA-N 432.477 0.442 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c2n1 1791077295 UUCVIUIDRLLDTK-NOLJZWGESA-N 426.429 0.253 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3cnccn3)c2c1 1793137232 HUHKUWAULVHKFF-YVWYUNDQSA-N 431.456 0.670 30 20 ICED 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)C(C)(C)C 1793190016 UGGNMCUGDUTWGH-XMTFNYHQSA-N 435.569 0.409 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429280 VEPNPPPLKBGUEC-YWVIFJGQSA-N 443.472 0.900 30 20 ICED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)NCCC#N)cn2[nH]cnc(=O)c12 1796045032 GPBRCSWIDVXUSJ-MUJYYYPQSA-N 439.520 0.865 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nnc(Br)n2c1 1796378376 HOCVURIUFIQEGJ-CLLJXQQHSA-N 446.261 0.832 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnn2cccnc12 1797367802 PRCICMHTEQTINH-XEMDLRDOSA-N 437.500 0.631 30 20 ICED Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1F 1797808317 BMZNOAWGEYZHRC-RWNDBFMTSA-N 437.472 0.600 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797840023 QMZAJPCKQXCLIP-JWUULAPQSA-N 436.472 0.574 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 1798355116 RDNBGASKRBDSGW-IZZQQSIFSA-N 448.483 0.283 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799146326 FLTCLNGBZOKIHB-LAIFEGOXSA-N 433.549 0.550 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)c(C#N)c1 1799241401 VICWGXZCYIQSCW-OPMZPASUSA-N 438.488 0.381 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751919 IQNVEJJUYZWBRH-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800133334 GXXYPRXUBPCNHL-YXPYIKCWSA-N 431.468 0.645 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801168109 JPBCHNCAJGWLPR-CWPLJXCYSA-N 430.461 0.540 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccn1 1801411278 YQJUMFGHYWXXMW-FEJSZKPUSA-N 435.484 0.949 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995848 UZRVEONQFAFXBP-DFYYWFRZSA-N 443.504 0.234 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1802476295 HBIYPRHBGQUCBY-FCDDRNRXSA-N 436.472 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)NC(N)=O)[C@H]1c1cccnc1 1802481385 IUUDZUGJERHHMH-FFXVLIFUSA-N 442.520 0.393 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803452270 JIBSEHFJVKXVAX-JAXLGGSGSA-N 441.484 0.996 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804341965 NOTTZNADTVLYBA-GFOCRRMGSA-N 429.477 0.277 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)C1 1804850708 GUJGHMFWFUWVJY-TUYSUELWSA-N 439.578 0.757 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810357501 QVHQKMOOFMHDIE-MEKKTQKKSA-N 442.480 0.303 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810398141 FDAOGVXNOXLZDD-VDHNLKNASA-N 425.489 0.522 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1813177770 TYPWWBDIVYGLIJ-IIBYNOLFSA-N 432.440 0.526 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669505 WCNJHWJCLMHPOZ-WRQUAKKRSA-N 434.478 0.460 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203149 MITQBVRFVZJELX-WBMJQRKESA-N 435.437 0.333 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](C)S)sc3C2)CC1 1826019582 LIMWEEROVRMBII-AAEUAGOBSA-N 425.580 0.538 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826823745 ZSBWXJQWLHASBH-TZVXIOESSA-N 434.585 0.671 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828250640 YIKAPQVJLRBRCY-MRVPVSSYSA-N 438.512 0.003 30 20 ICED COC(OC)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803494 SCZRYVRHKITEKW-JOCHJYFZSA-N 444.488 0.971 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831405977 OEUKEOCQKQREGH-NRFANRHFSA-N 435.477 0.138 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1831418724 FTAIWVRKZNNQHY-QSNWEANLSA-N 438.521 0.623 30 20 ICED COCCOCCOCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831723651 BVIRSPAYMOSWCX-LJQANCHMSA-N 438.521 0.764 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1832460970 MIHUOSCBTSVFHD-HXUWFJFHSA-N 436.534 0.655 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1 1833469174 XCQHJWGLMLRYHK-QGZVFWFLSA-N 428.533 0.940 30 20 ICED Cc1cc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1833747995 NJWOEEJAVSTUNT-UHFFFAOYSA-N 426.517 0.982 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c1 1834247779 HQVGRNKYYNTMDX-QFIPXVFZSA-N 439.472 0.684 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834761351 ZARVOYFNXGSFPU-IERDGZPVSA-N 436.509 0.613 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1834775055 MZTWNXHEWJZHII-ZSUOFZKHSA-N 425.482 0.363 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3ccnn3)CC2)CC1 1835717958 TXCQPWRCKKIIQL-LPHOPBHVSA-N 432.569 0.984 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837399039 MLDBOCFHPWFELS-VGOFRKELSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1837403004 NFECOKRMQISVRE-BSRJHKFKSA-N 447.532 0.878 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C/N=C/c2ccco2)CCO3)cn1 1837563354 XBDUPFXDQGLJGS-YVABFXQFSA-N 443.504 0.521 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415076 WIPWFAVZWAPGHY-FQEVSTJZSA-N 445.501 0.376 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1838733122 NZUJPULZHNYVLI-FQEVSTJZSA-N 433.534 0.005 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5CC(=O)C5)C4)C3)c2c1 1839488745 CYCYUWJVIOMBTH-JOCHJYFZSA-N 437.456 0.484 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)CC1 1839692528 CEQOUHRHUAEWTM-QHCPKHFHSA-N 439.516 0.144 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839882715 UOLDUTBYFZWCFO-JOCHJYFZSA-N 428.489 0.083 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC4CC4)cc3)C2)C1 1840044956 JRCMLCZCQVEFSY-HSZRJFAPSA-N 442.468 0.633 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840158084 GRHPDOVJVDRTQC-VFNWGFHPSA-N 443.529 0.927 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840160418 GVQWGJIQRXBBOF-LHSJRXKWSA-N 446.529 0.322 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345603 XTZNMOJKSGRHTK-SIKLNZKXSA-N 434.537 0.938 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCc4nc[nH]c4C2)CCO3)c1 1840363645 DEPZIWNGGZJWMI-KSFYIVLOSA-N 438.488 0.485 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816086 OMENVULYEUXUKN-HTAPYJJXSA-N 428.489 0.999 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1840841820 XRFPAGCXXLSEKB-QFIPXVFZSA-N 448.541 0.639 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844795268 QJTJRKHQGUAXHO-UHFFFAOYSA-N 427.486 0.957 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1845132097 BAQPSXGWVJGJHS-OAHLLOKOSA-N 445.520 0.763 30 20 ICED CCN(CC)CCOc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1OC 409545770 AISRPXYFSVWEHZ-KRWDZBQOSA-N 426.539 0.975 30 20 ICED Cn1nc(NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1OC(F)F 426930604 CBKAQAXBKDMCDM-DGIBIBHMSA-N 430.371 0.832 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 443824187 FPHHAFYFTLHPEU-GOEBONIOSA-N 446.508 0.819 30 20 ICED C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 462447027 UKRBUZGUZPKPIP-LSDHHAIUSA-N 428.536 0.219 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 465421269 FWYOAKKYGMJWRK-OAHLLOKOSA-N 431.460 0.664 30 20 ICED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 468918279 JWZKIKSUWMPYHQ-CYBMUJFWSA-N 434.547 0.949 30 20 ICED Cc1nn(C)c(N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 472153834 JYFZAMMOHNAPMK-UHFFFAOYSA-N 431.522 0.398 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 475267631 XQMBTEFQAIFGFK-IAGOWNOFSA-N 446.552 0.614 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)cc1 475560264 IDJBFKGLOWZATM-UHFFFAOYSA-N 437.504 0.963 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 481506041 BPFNYFPIFLZHMS-CRAIPNDOSA-N 434.518 0.465 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1 488265590 GHFLBUZXBKVZEP-UHFFFAOYSA-N 434.499 0.678 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3c3ccccc3)n2)cc1 492679316 VFDNCJKQWAYNEC-SFHVURJKSA-N 429.440 0.836 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)cn1C 501028200 ZYYSQLSUGKPJOC-UHFFFAOYSA-N 441.510 0.576 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2=O)cn1 504570730 NKKWGCCZWUJJEW-KRWDZBQOSA-N 439.451 0.001 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 507735361 ZTSRNXNNEWINLE-UTKZUKDTSA-N 433.428 0.741 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508464816 OCBSCMAXLCTNAS-INIZCTEOSA-N 447.463 0.936 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2cccc(C#N)n2)CC1 544877495 QBKNAFFTINXFAL-UHFFFAOYSA-N 430.490 0.370 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1=O 550379226 YNJCFDMDXXRBCZ-OALUTQOASA-N 432.496 0.561 30 20 ICED Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1N1C(=O)CNC1=O 566886812 DPOSUWSQEKQMMH-UHFFFAOYSA-N 427.442 0.840 30 20 ICED Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 566887754 WORBZQXVFVFYBN-IRXDYDNUSA-N 434.497 0.299 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 571576748 HUODKCAUBPXDLI-UULLZXFKSA-N 435.531 0.385 30 20 ICED Cc1cnn([C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)c1 577090841 XQAQTJLMFJYDBI-IBGZPJMESA-N 442.545 0.843 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1=O 587658562 BDLNGMUTAVUPND-INIZCTEOSA-N 426.521 0.754 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)c1C#N 589438810 UJGQPAYKUDVAPD-HNNXBMFYSA-N 429.506 0.986 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)CC1 603689070 SKQQASCGDGNKSB-UHFFFAOYSA-N 437.591 0.428 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)N(C)CCC#N)cc2)CC1 609076195 MRFRBLWOKXHOIX-UHFFFAOYSA-N 437.566 0.452 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)o1 609268504 ZSZJTHMRXOURHA-AWEZNQCLSA-N 425.463 0.608 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1S(=O)(=O)NCC#N 609411926 DXWRDGZWAFPSDI-UHFFFAOYSA-N 427.486 0.790 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 609794034 QLTQALGNAJLPCA-GOSISDBHSA-N 434.518 0.322 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 610082180 LVBBTZPYMGAICW-UHFFFAOYSA-N 428.467 0.997 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 610612333 MERAANFVBHXRBE-UHFFFAOYSA-N 443.445 0.684 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N([C@@H]2CCS(=O)(=O)C2)C1=O 726396318 REEMDZKILTXTOE-IAQYHMDHSA-N 441.531 0.959 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727406446 VGHYKOPFDVBLMJ-UHFFFAOYSA-N 443.529 0.718 30 20 ICED N#Cc1cnn(CCOC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1N 731772347 RYDVUXTUWVKADH-UHFFFAOYSA-N 433.490 0.534 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 732419312 LOSVLJXVGJSLCR-FMQUCBEESA-N 427.461 0.736 30 20 ICED Cc1noc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 737269224 SZBYMRDHXVQWJG-HAHDFKILSA-N 434.478 0.488 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CCOC 742530968 LVYRPZDBPQAHLT-UHFFFAOYSA-N 441.431 0.746 30 20 ICED CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CCOC)c3)c2=O)c1 743727906 WUIXBBWHCJJJHW-UHFFFAOYSA-N 437.525 0.553 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 744862932 NVJPKRLADPSYRD-DCMZOXEDSA-N 442.472 0.733 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1C#N 752396241 HNMPXNCNSPTFIM-INIZCTEOSA-N 439.432 0.720 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(I)c2O)CC1 755252704 BNTXMJDIXXGELN-UHFFFAOYSA-N 441.269 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758050578 GQQLUCGBWPYPJX-UHFFFAOYSA-N 448.483 0.388 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 761037324 OXNRYBZGBJIZPT-UHFFFAOYSA-N 442.545 0.773 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763007899 PKTXQEDSVPDZAZ-UHFFFAOYSA-N 426.860 0.989 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)n3c(C)cc(O)cc3=O)CC2)o1 764018471 JEYWCEXFJOSVCN-CYBMUJFWSA-N 429.433 0.483 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc[nH]n1 772203797 PFEGNECDPBSJJM-LBPRGKRZSA-N 437.478 0.479 30 20 ICED Cc1cc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)s1 772603481 XYZLCRHVYLRRSL-NXVVXOECSA-N 441.535 0.469 30 20 ICED C#C[C@@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775797538 DQVMQHMNRQAFTA-IAGOWNOFSA-N 437.518 0.425 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 777310691 GMQTULUQKJTQGF-UHFFFAOYSA-N 430.870 0.657 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)ccc1I 778630055 MVFJMYJJBSAJAU-VIFPVBQESA-N 436.227 0.991 30 20 ICED C#CCOCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 784606661 MVBIRDHBZTXZLC-UHFFFAOYSA-N 434.518 0.293 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)cc1F 786560259 ARRMWHRNNBGPAD-FUEZWAHWSA-N 431.395 0.842 30 20 ICED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 803491064 NDFKBCPDEVRBLO-UHFFFAOYSA-N 437.499 0.917 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@@H](C)C1 807319150 UFCDVTLBXLNIBI-YUCJCZDXSA-N 435.550 0.991 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 807381040 AOXJETWZMZQEBI-UHFFFAOYSA-N 425.438 0.605 30 20 ICED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)cc1 807586610 NDMLBNGSEFHGIE-IBGZPJMESA-N 432.484 0.832 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCO[C@H](C)C1 807619508 ZGOWQQWNSMXMEF-IVZQSRNASA-N 427.457 0.942 30 20 ICED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 810391631 ITYPJYMEBDOKDM-AWEZNQCLSA-N 427.324 0.926 30 20 ICED N#Cc1cccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 810646584 XIFXLBOGXSDGOG-UHFFFAOYSA-N 444.469 0.561 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)cc1 816683189 WBHNILLJEZEYEY-GOSISDBHSA-N 437.587 0.878 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 821736048 XQCUBYUOPNNGFT-UHFFFAOYSA-N 436.377 0.954 30 20 ICED COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1299798225 RZUFHRHDNPWOJV-CABCVRRESA-N 426.543 0.966 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1303001183 PCGNHQGAFANHAR-JKSUJKDBSA-N 441.579 0.745 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1315071810 JVGVAEIBIVWKIV-UHFFFAOYSA-N 431.478 0.902 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(OCC(N)=O)CC2)c1 1318865028 CLVGKJFKVNSJNC-PYCFMQQDSA-N 437.522 0.998 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1504532063 LPOZHAGGRZAIPP-KSFYIVLOSA-N 440.504 0.652 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1=O 1504910421 JGHHNRDFPYTECL-UHFFFAOYSA-N 437.504 0.638 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1611124607 NRIYXBGWTSUZJK-ROUUACIJSA-N 434.518 0.281 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1681228472 ZTJHSDDNSUYSCU-CVEARBPZSA-N 436.513 0.125 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1692784435 OZEXSNMSPXTEHU-ZANVPECISA-N 441.411 0.009 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722555896 NFVSRCGVKKCLIM-LSDHHAIUSA-N 432.978 0.894 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1724023839 QZNLLBAKGCTXFG-FQEVSTJZSA-N 447.446 0.812 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1729409472 KPILXNUDFCQVIJ-MRXNPFEDSA-N 426.506 0.865 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)COC1 1751278241 UIKXMIQEZFPDRF-YJBOKZPZSA-N 438.554 0.778 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362390 HXACBBCRKPTFTB-CJFCWMOSSA-N 435.569 0.744 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C1)CCC2 1782438356 INQDKVPXALLECY-RORQMLAVSA-N 445.520 0.881 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@H](O)c1ccco1 1783566771 ZWIIZTVAMZKFHB-NSMNRRFTSA-N 435.477 0.822 30 20 ICED CCOc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1783567277 MCYWTXUWYBZJOM-QFIPXVFZSA-N 430.457 0.554 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1783905947 KOUGEBNYXHNXMZ-HSZRJFAPSA-N 448.483 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784346316 VSVDQLBKJIJRNY-YYUNUBRSSA-N 427.505 0.203 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)s1 1786858240 NBZWQIPVPQMHST-JYJNAYRXSA-N 434.566 0.651 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1789890359 PJUFGTYVNYOFOR-ZOBUZTSGSA-N 433.461 0.188 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140902 UQQWVZPGGIYJTF-YHUYYLMFSA-N 436.509 0.503 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145265 GKMFGAAZGIVQTN-XPYUAMARSA-N 428.489 0.428 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1793357628 SOWOWSRSAGYTLK-BCEDRHLLSA-N 428.489 0.850 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(F)(F)C(F)(F)C(=O)O)c1 1793730584 QJCRXAKHYZLAMH-PEGIJTEDSA-N 432.330 0.445 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)c(Cl)c1 1793943394 JSNTUXAIKJHGFK-DJZPMSPPSA-N 445.863 0.013 30 20 ICED 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 1795727926 UHOWYBAYJYHUSC-RZFLPCETSA-N 436.553 0.491 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795933589 DVTIJOKHXIZJOQ-VPTLXERWSA-N 425.489 0.659 30 20 ICED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800839799 MXLFGVPUGRRBMX-XEMDLRDOSA-N 434.493 0.159 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801765902 VHIPQBQVGBRXEN-LNCSSOGTSA-N 442.516 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1802482841 RSMBPEWJPSXLKQ-YRTIDYAOSA-N 436.516 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806819094 YSZRQQALJNBXMZ-VBSMBOKZSA-N 425.489 0.224 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1807121382 CQOCKRSKNMVOOR-VPCYTDGVSA-N 444.561 0.963 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807611592 WCIFLZRZXOSAEU-LGCLUGCYSA-N 425.497 0.246 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)[C@@H]1c1cccnc1 1810100432 SRMZWKLPIPAPFM-NOCIGQNYSA-N 449.508 0.953 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1810247952 LYZPBZOPBQGJPW-LNLFQRSKSA-N 431.537 0.932 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@@H]1c1cccnc1 1812524367 LKGJBIDBOYGIJT-ZKMOHVOUSA-N 434.496 0.900 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1813044964 GFFYRAUTTDTCFS-OXJNMPFZSA-N 433.472 0.936 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817082186 ZLCGQAAZPWMDBX-SNVBAGLBSA-N 445.505 0.852 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819239799 SRVKNTDPYQHCIU-WMLDXEAASA-N 449.512 0.748 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1826933681 PQJKSFYPQZXYDX-UXHICEINSA-N 446.592 0.898 30 20 ICED O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828977788 VTLMWOXADJLTDV-RANHDKPRSA-N 436.553 0.858 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccccc1 1831275138 WSDSMSDBTBWNCW-HYBUGGRVSA-N 441.528 0.776 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1831387328 OPRTUIJQQPCXHT-WMZHIEFXSA-N 435.565 0.602 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1831391774 GMSJODXMAOMJJE-GAJHUEQPSA-N 440.500 0.682 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1832285199 AFCCIRYOTZZIEK-OAQYLSRUSA-N 425.526 0.294 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1 1833465773 RSPKAUMHOYRAPQ-QGZVFWFLSA-N 438.532 0.953 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1834121006 QVTFBWFSQDKXBH-WCNTUGILSA-N 449.508 0.328 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834323751 JQLMIDITQDHTNY-KTBYTZPXSA-N 444.513 0.991 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1834524518 JACMZFXGNNATTO-NRFANRHFSA-N 434.493 0.538 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835126733 CCUZVICZJQGONA-BVZALQNUSA-N 440.500 0.662 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1835357414 XSAYSXMQARIAES-JOCHJYFZSA-N 443.504 0.292 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835362666 RCMSPZDQWFWXCU-SIKLNZKXSA-N 425.489 0.513 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1835675504 SPAGPQYILPSRCP-NRFANRHFSA-N 432.477 0.201 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835675593 XTBUGGNJTDSOJZ-JOCHJYFZSA-N 445.520 0.442 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3ccccc3C(=O)OCCO)CC2)CC1 1836121034 DYXCMASVMDVMCB-UHFFFAOYSA-N 442.516 0.935 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122377 HBJAWUPQAHPLLR-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C1(O)CCC1 1837439667 ZXOHAHWRJVRFDI-DJHMHYBJSA-N 436.553 0.466 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccn1 1837446597 FBUAHQHXDZGURI-RKOCYQMFSA-N 432.525 0.372 30 20 ICED Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529774 YFTUVGLSKGHNEV-OMJZWIOZSA-N 434.493 0.922 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1Cl 1837564192 BUBBHGCQFZRONA-UYYUJSNXSA-N 449.895 0.856 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566812 NLNHNGFEAQVXBV-CUKRGZBSSA-N 434.493 0.956 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837573798 FHEMHPOQTBORSH-ZQIUZPCESA-N 435.637 0.804 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738288 ZPFRISPFTOOPEM-AOMKIAJQSA-N 438.488 0.852 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1839176139 XVOYBPZHICWDFJ-UZLBHIALSA-N 426.535 0.848 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ncon5)C4)C3)c2c1 1839488562 YWQGMLLCRHJRJH-FQEVSTJZSA-N 437.416 0.201 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)CC1 1839759600 BFAHEVTWRNSNHP-BEFAXECRSA-N 428.551 0.741 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1839810194 KFXBAUXQCOGXGQ-LJQANCHMSA-N 447.289 0.800 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1)C(F)(F)F 1839892670 ALHUOTXZOFQLLV-WFXMFSGNSA-N 431.455 0.902 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840168506 QWHUWMQFNOKMQY-HSZRJFAPSA-N 425.485 0.804 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840404036 ZDKSKPSHCLUSKL-GCJKJVERSA-N 446.552 0.491 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436606 QEHATPAXKIRZJY-AUSIDOKSSA-N 448.564 0.609 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840840501 VIYCOQMHESTCBC-JTSKRJEESA-N 435.521 0.866 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847328137 NEINTKIUDRYAGB-QZWWFDLISA-N 432.521 0.631 30 20 ICED C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CS2 26879743 PFRWVDNSDKBMFC-QFBILLFUSA-N 434.543 0.845 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 430477354 ZIHXPPDFAWKZIA-ZMPRRUGASA-N 438.488 1.571 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 431686542 RLXBPCJMNMMXCR-UHFFFAOYSA-N 439.519 0.021 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 441625109 YCKLFUQHXAXPDH-KRWDZBQOSA-N 437.456 0.224 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)CC2)cc1 444405718 STERINMHQGFWBW-LJQANCHMSA-N 446.533 0.551 30 20 ICED Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1S(N)(=O)=O 446574931 WPEMBOXKHDGOEW-UHFFFAOYSA-N 436.515 0.764 30 20 ICED Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C[C@H]2CO)cn1 447320321 ZBAZVOCBHYBJAC-HOCLYGCPSA-N 437.435 0.790 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460591660 OYXDEFYEJDGADL-UHFFFAOYSA-N 445.487 0.541 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 465058693 HVPUOMAXJVKMMF-HUUCEWRRSA-N 428.536 0.245 30 20 ICED COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472343919 FHHQRIOJLABMCV-UHFFFAOYSA-N 433.490 0.747 30 20 ICED CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 478206011 ZMXHOYAWAODNMD-SJORKVTESA-N 440.460 0.706 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1=O 479236090 RUNBYDRXBNRTRG-UVQUFPMPSA-N 433.472 0.971 30 20 ICED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480296353 UKVNYSIIJGMNGH-SJORKVTESA-N 441.531 0.536 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 481583424 QWUANSUQEIKWJR-QGZVFWFLSA-N 446.547 0.884 30 20 ICED COc1ccnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 481809864 OLRAJJZHIQLLBX-OAHLLOKOSA-N 429.502 0.977 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)CC2)o1 487980769 WKTRHCAWADSRQU-LPHOPBHVSA-N 426.521 0.979 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 489339319 XXHOTQRJKRZSQV-PJJNOWNLSA-N 449.558 0.774 30 20 ICED N#Cc1ncn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 499483815 JSFJLHDHHQMDHJ-UHFFFAOYSA-N 434.865 0.939 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 503264023 IDBYLHPUMNLHOV-UHFFFAOYSA-N 448.487 0.566 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 504201877 MIUJHPXCTWRRHZ-MRXNPFEDSA-N 449.471 0.007 30 20 ICED COCCN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O 511297448 VRZOFCSKQZYPED-UHFFFAOYSA-N 428.367 0.755 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 516309581 JLCJKKMDBCBZAY-UHFFFAOYSA-N 449.467 0.784 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 521593704 MOJLDJSNOMVXOU-OAHLLOKOSA-N 436.490 0.559 30 20 ICED N#CCCn1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 521970837 YSEDCVGLOVAUFM-UHFFFAOYSA-N 433.450 0.333 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)o2)c1=O 525775656 CWAFCTNTSMZGIK-UHFFFAOYSA-N 430.486 0.067 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1C 562309741 OPFPPAVGBPQEFB-MRXNPFEDSA-N 425.510 0.511 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@H](O)C3)CC2)n1 579634734 MTYBCFXTFWCOEY-NRFANRHFSA-N 448.527 0.485 30 20 ICED Cc1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c(C)c1S(=O)(=O)NC1CC1 585722474 SBUYLBVIYXDKHH-UHFFFAOYSA-N 430.490 1.432 30 20 ICED CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 609282734 KFMFQDGJOBRFSC-HNNXBMFYSA-N 449.533 0.617 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 609946319 POARCEUWWGHLCY-KRWDZBQOSA-N 427.486 0.509 30 20 ICED COc1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 611209352 USOZAFMLIAOXKD-UHFFFAOYSA-N 443.529 0.927 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 611409217 QTPZLSPVKHFQEU-OALUTQOASA-N 437.541 0.548 30 20 ICED N#Cc1ccc(CS(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 612054352 XXOIRZNMZMUVKF-IBGZPJMESA-N 441.575 0.599 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 725897334 RKOUQGBQRAHTPV-RTBURBONSA-N 432.546 0.938 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726201559 YJNPYRSGLQEBGE-CQSZACIVSA-N 439.538 0.681 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H]2CCCO2)C1=O 726403769 NAOBFLZKBPZBMI-KVLUZXKMSA-N 440.547 0.449 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 729257226 WZCZWRUTPKHOJQ-UHFFFAOYSA-N 437.548 0.722 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673424 ORPRMQSRFWRDQP-UHFFFAOYSA-N 447.582 0.538 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)cn1 732564123 IWDGVHABABBTJA-UHFFFAOYSA-N 427.511 0.367 30 20 ICED CN(C)S(=O)(=O)N(C)CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733857429 MZIMROMOEJIMBC-OAHLLOKOSA-N 437.478 0.045 30 20 ICED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 744410883 XQCLCZJNVCYYPL-UHFFFAOYSA-N 433.530 0.495 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 749703927 MMKYUBBSEJQHLN-INIZCTEOSA-N 431.493 0.213 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCOC1 749856044 LQNZWFVLTXJELC-HNNXBMFYSA-N 429.546 0.582 30 20 ICED O=C(O)Cn1cc(/C=C2\CN(c3ccccc3)C/C(=C\c3cn(CC(=O)O)nn3)C2=O)nn1 759075581 HUFYUUOFHQEQEK-MKFXEVHTSA-N 449.427 0.595 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760898577 XFEBHVITYOUWKP-UHFFFAOYSA-N 433.486 0.713 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2I)CC1 771451601 LNELMDBMRPWQHH-UHFFFAOYSA-N 425.270 0.727 30 20 ICED Cn1ccnc1[C@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 772572143 FSKVXEYTPUAUDJ-GOSISDBHSA-N 431.518 0.821 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCCS1(=O)=O 773119314 KABOMKFDVAPVDV-UHFFFAOYSA-N 443.547 0.864 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 773949318 UZBNDVNVRDTLOU-CYBMUJFWSA-N 428.461 0.780 30 20 ICED C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 774442474 MQIWQPYZNCTRGI-OPZXXQSVSA-N 442.563 0.711 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 776648573 RCTXEBIEZQXDNQ-IBGZPJMESA-N 446.552 0.612 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)n1 789787113 FKYHLILNXLQQCC-UHFFFAOYSA-N 447.517 0.347 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)n1 789788697 NAGOKXMWRYNJTN-UHFFFAOYSA-N 447.517 0.526 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC)CC1 812121495 BTDVWLRDHKUMOK-UHFFFAOYSA-N 449.515 0.804 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nn(C)cc3Br)CC2)o1 814602677 UZTBSFNZWBPEBC-UHFFFAOYSA-N 437.254 0.856 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 914653395 PSALLAXUDGGXNY-UAGQMJEPSA-N 431.470 0.242 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917107131 UWADWCXIULZDAH-UHFFFAOYSA-N 442.563 0.436 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917769233 XMURBLWDMGFNNJ-CQSZACIVSA-N 447.561 0.162 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 919669369 USDQMSNMCLXDDQ-UHFFFAOYSA-N 448.505 0.396 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291373028 KIEAFBMTEOPRIF-YJBOKZPZSA-N 426.543 0.512 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1306262500 YIFXCVOGKZEMGP-REDKUUPNSA-N 440.504 0.983 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[S@@](=O)CC 1314393313 FBZUNBPRHUAXKA-FOGNVHKLSA-N 432.554 0.960 30 20 ICED N#Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCOCC2)cc1Br 1358211084 YQHVRDWQKHDNSY-UHFFFAOYSA-N 432.296 0.478 30 20 ICED CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359927149 OUOFTWYJXPYDHS-IBGZPJMESA-N 435.554 0.994 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453949838 MFBSFMPBTAZGJX-AUUYWEPGSA-N 431.518 0.931 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1492606006 RXFMCZABYJXOQC-RHSMWYFYSA-N 433.538 0.959 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1515100753 VRSQPNHBOLUKRG-UHFFFAOYSA-N 445.549 0.861 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 1644384815 UBVSMNUUPCNECG-KSSFIOAISA-N 435.502 0.748 30 20 ICED Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1684721605 CCIVINOFOCVMPG-SFHVURJKSA-N 443.552 0.872 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1710166519 LCMZXQPMZPGIGS-FQEVSTJZSA-N 432.550 0.754 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1741057073 ZFOALUOMKPXPLJ-IBGZPJMESA-N 436.520 0.292 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1747449115 OAAQTXFXIXKTLJ-AWEZNQCLSA-N 438.485 0.664 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1750995540 NPWHIPDRAIFEKE-MRXNPFEDSA-N 438.492 0.467 30 20 ICED CCN(CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1765217550 RDRSJFMTFAPFJQ-KRWDZBQOSA-N 433.538 0.664 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1=O 1769896476 JWYWDXBTIBEDNQ-UHFFFAOYSA-N 432.506 0.156 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccnc2)C1 1771360969 IJMBKYKWKCYXQV-VQIMIIECSA-N 449.512 0.691 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnc2c1 1777998092 CHDWENFOWLYRSG-HSZRJFAPSA-N 446.467 0.960 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)o1 1779100464 CDCVZSAGPGSZEO-GUBLWLBDSA-N 435.481 0.713 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccnn2)C3)c1 1780089009 KRWJDBHTRIFCGA-DENIHFKCSA-N 438.488 0.986 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1781792249 WMKRKHGWNOLGFM-NQIIRXRSSA-N 431.514 0.773 30 20 ICED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccc2c1OCCO2 1782010427 UHHBBAQCAFXRLI-WZONZLPQSA-N 442.468 0.982 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277047 CAXOTUCBJSCEHM-NRFANRHFSA-N 430.509 0.391 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782951590 BSVSSWGDQWQASR-SIKLNZKXSA-N 445.541 0.898 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1783054259 DZNPFCDBMPKARZ-FIQUECFISA-N 433.505 0.474 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21 1783531828 ZLIFGFPTYNJZLY-MYVDIJBLSA-N 433.896 0.582 30 20 ICED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1783661535 JPVWGBYVGFQFHJ-QUCCMNQESA-N 432.583 0.840 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785420052 UWOFMTOEMTVZOF-LUHXQIJTSA-N 449.504 0.764 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785713281 FXKHIFCKMNWBIJ-IEZWGBDMSA-N 433.530 0.882 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717690 JDFFQFRVVQDLHN-SBUREZEXSA-N 444.484 0.720 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788571379 IQSMYOBPCCXGSP-HJWJTTGWSA-N 435.481 0.344 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1788656214 LAROJAOVXDDUFY-PPYUBFJKSA-N 432.477 0.910 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791264004 XHRDXMBKPUYBOZ-GVRJEKJASA-N 445.582 0.560 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286666 GCVAEBBDCCZPDO-TYNWYWJLSA-N 427.498 0.383 30 20 ICED C=CC[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 1792780133 BJJYXJKVKZGPOB-GLNRLIEQSA-N 443.544 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793346263 HPJSMYBSNDQNMZ-RMYQPGKMSA-N 426.517 0.011 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccs1 1794391184 NYILTSWQDOXIMU-FYVVFRBKSA-N 430.530 0.975 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796371945 PXTQXWSWTLPTNQ-VIYGXFRKSA-N 427.545 0.864 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 1797246021 USRLURCGDPXEIQ-PLACYPQZSA-N 438.528 0.781 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797582531 ADEGTKPHOMPHCI-NZGUISNBSA-N 444.488 0.145 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nc1 1797812246 OSJCQENCAAZSOR-SJSYYZABSA-N 432.477 0.822 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799350306 NXJNYVODINCUNS-SFNKJDCFSA-N 435.521 0.265 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nc2nccn12 1799988285 INFCOKGYBPQALT-OMQMMRKDSA-N 439.520 0.713 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC)c1C 1800818327 BMAXNNKDCRRTAY-KALPFLKPSA-N 441.528 0.994 30 20 ICED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)CC2)ncn1 1800980742 MLRPNWLWPYQAGB-AMVTXUCVSA-N 449.577 0.610 30 20 ICED CCNC(=S)NCC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809777585 QXUSGRTXTGXZIE-UHFFFAOYSA-N 436.626 0.983 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810150298 FJFQAZFRRUDRSU-BXWFABGCSA-N 441.536 0.994 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1812668612 MMBSUIIZPPCGAY-OFQRWUPVSA-N 435.431 0.897 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812878438 XJIAOZFVSXPUQL-UZLBHIALSA-N 425.445 0.332 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819468322 RHACNOSFUMSPRZ-DGFSRKRXSA-N 440.522 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1829764830 XPIKEYAATMXMSY-OLEQZPESSA-N 448.545 0.309 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830747419 KEMOUFAKVNJWSQ-QEEYODRMSA-N 445.582 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1831388530 URMHAHCIAGLCDV-HXOBKFHXSA-N 446.500 0.438 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1831392755 OCSXRYJPFBIQMT-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1831401708 FNETVVMFMYQBIA-PGRDOPGGSA-N 438.521 0.605 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832355460 OOWZRAHGRIAELH-VGOFRKELSA-N 432.521 0.538 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1 1833468816 XDIUTVHTFBMCCQ-QGZVFWFLSA-N 443.548 0.889 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(OCF)cn4)CCO3)C2)CCC1 1833575095 QHSODHSIEAHEPA-HXUWFJFHSA-N 433.440 0.546 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833865127 QBLKTIGOYPCKNA-HXUWFJFHSA-N 428.449 0.012 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835400541 WQZHRCRZLLTMAV-PZJWPPBQSA-N 442.626 0.035 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380784 GDAAWSOCESEENO-HXUWFJFHSA-N 437.518 0.272 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193382 IYYBFWJHVGDFCH-VFNWGFHPSA-N 429.477 0.619 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1837404978 FYEWDLSBFBEVON-WMZHIEFXSA-N 437.581 0.748 30 20 ICED CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCO1 1837527866 YTKZAVZVVHJAKE-RRPYSREYSA-N 437.493 0.666 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561640 ZBHVANKDRPWDPO-XRLXATLGSA-N 443.460 0.267 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564478 QTHLIWXKFGKHLM-LWOHLBADSA-N 429.477 0.809 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ncon5)CCO4)C3)c2c1 1838319086 AHOQNSKHURNJEW-HXUWFJFHSA-N 437.416 0.201 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839055089 WCSGQJVMYZTESW-IEBWSBKVSA-N 437.290 0.572 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839175394 GVJPZZNYJOZMJV-JOCHJYFZSA-N 448.472 0.677 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839225109 XXFOIGQCGPJTHE-GUXCAODWSA-N 426.514 0.111 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371622 HOEURFOECKKBPM-FQEVSTJZSA-N 438.502 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546744 HOPJJSKLVCDKSW-VGSWGCGISA-N 443.504 0.699 30 20 ICED Cc1cccc2[nH]c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc12 1840042239 ICXWHEQIQSCMAQ-JOCHJYFZSA-N 425.441 0.634 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840294182 UAKCDDKJWOXQHL-NRFANRHFSA-N 430.461 0.438 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840820681 DSCWTVYDPGGCQE-HSZRJFAPSA-N 443.500 0.699 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)c1ccc(O)cc1 1842947988 ZYNUTYZTNFSYMD-IEBWSBKVSA-N 426.517 0.685 30 20 ICED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137106 HABJOVSFZCAUEI-UHFFFAOYSA-N 447.536 0.819 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1845189667 CMWUGACBRAWIFA-UHFFFAOYSA-N 425.532 0.560 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)CC1 1847977299 HOPNYNHOUQGMSV-GJZGRUSLSA-N 435.477 0.038 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 18447211 MPRUEECOCJCHPB-UKRRQHHQSA-N 444.531 0.342 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C(=O)N3CCSCC3)CC2)o1 111203702 KGWWXRWAGIBRHW-KRWDZBQOSA-N 432.550 0.543 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(Br)cc2N2CCOCC2)CCO1 409486250 NCAVQASKBPKQQU-HNNXBMFYSA-N 445.339 0.844 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)C[C@@H](C)O1 432495232 HGJTVANUFZLUGF-IYBDPMFKSA-N 435.550 0.736 30 20 ICED COC(=O)Cn1cc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 441533139 MEOCOHATZJANLN-UHFFFAOYSA-N 425.449 0.883 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OCC(F)(F)F 442034299 QYWXOTYNWDPNQH-NSHDSACASA-N 425.323 0.200 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1sc(O)nc1C 442368305 HLEFTGUWCDZWMV-UHFFFAOYSA-N 439.475 0.071 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCSC 443548759 JUBNRZZEAZKDGF-UHFFFAOYSA-N 430.555 0.872 30 20 ICED CS(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 460706177 PZBHOPHVCHCLDA-QGZVFWFLSA-N 438.469 0.980 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460945991 CMQVTSUFEPZBKO-CVEARBPZSA-N 439.586 0.207 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462087022 YQLXDHJXOFWNFQ-MRXNPFEDSA-N 438.492 0.536 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472192605 MBNCFHDWKVKZBL-UHFFFAOYSA-N 437.547 0.823 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCOCC1 480120135 ZBVNQYMKUXFTMM-HNNXBMFYSA-N 429.502 0.773 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Br)c2)c1=O 480350330 PUALHLQGKWALEP-UHFFFAOYSA-N 436.331 0.958 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)o1 480960611 XHRXLBPLHAAPCI-UHFFFAOYSA-N 440.481 0.463 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488624937 GHZTXDZAQCDWID-MRXNPFEDSA-N 441.469 0.213 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1 489026085 OPSJRXUACXZBSP-AWEZNQCLSA-N 428.466 0.107 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 506753649 KVXMUCKSLSDQSG-RYUDHWBXSA-N 430.433 0.932 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 511676972 DCUBEBPFVOQURZ-MRXNPFEDSA-N 448.545 0.837 30 20 ICED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513244200 PHTNZGPEQTXYHV-UHFFFAOYSA-N 441.467 0.444 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 527243811 ONKIJELFFSLCFK-INIZCTEOSA-N 446.552 0.757 30 20 ICED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531131733 LRZYCYVBCOATFM-UHFFFAOYSA-N 438.465 0.853 30 20 ICED C=CCNC(=O)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 537521185 MEWRFQWPLLKSRT-UHFFFAOYSA-N 436.490 0.188 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543940941 CIHYOAWVUGSDMG-UHFFFAOYSA-N 427.440 0.102 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 559914744 LJUOBKKXHWHSRS-UHFFFAOYSA-N 426.498 0.797 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 567129666 MKZSTFUIDBGQML-UHFFFAOYSA-N 448.483 0.776 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCO[C@H](C#N)C3)N2Cc2ccccc2)CCO1 576500792 WRKAQDJKNUMLDO-NCYKPQTJSA-N 437.500 0.522 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1 603876649 HIBCDYJKFHWTMH-MRXNPFEDSA-N 425.555 0.965 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 604270495 STQHYNYYKVGFIK-UHFFFAOYSA-N 432.933 0.679 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)n(C)c2n(C)c1=O 604297991 WUMWMIWVWJGKGV-GOSISDBHSA-N 438.463 0.737 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911879 UQSNZAJTNSJASC-UHFFFAOYSA-N 439.324 0.731 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 609943752 FMYJAZIOSNOUEM-UHFFFAOYSA-N 431.449 0.632 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 611492447 BOWGPPNKFIADFK-UHFFFAOYSA-N 428.489 0.227 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1=O 726042391 BOUXLWKTROQJQV-JTQLQIEISA-N 434.361 0.450 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)c(F)c2)c1=O 727165025 VHPFMLYGOJEAAR-UHFFFAOYSA-N 426.882 0.278 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)NCC#N)ccc2Cl)C[C@@H](C)O1 731233663 OEZJIIVJUGDLIS-TXEJJXNPSA-N 429.882 0.934 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732908723 QAIVUFVWBKQKIL-MRXNPFEDSA-N 441.531 0.297 30 20 ICED COc1ccc(Br)c(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1 747809698 NRWJTVIIJXCSBO-UHFFFAOYSA-N 447.314 0.796 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccnn2C)c1 762700400 YYRUPCDPLMKDCN-QJOMJCCJSA-N 432.506 0.530 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)cc1 767542351 MGOOKRKYHHUPQQ-UHFFFAOYSA-N 437.499 0.925 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(F)(F)CO)c1 768335290 DCDGNXMCTZMWPK-HZHRSRAPSA-N 446.476 0.962 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC(N)=O)c2=O)cn1 772313706 NOHNOJCLPPHYHW-UHFFFAOYSA-N 443.435 0.276 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)no1 780049949 DDUJEAVEXQKFPA-HNNXBMFYSA-N 440.460 0.995 30 20 ICED Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 782955405 IIBQSQUZNLGEOS-OAHLLOKOSA-N 443.489 0.782 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 782988007 SYYVQOHWKALZBG-UHFFFAOYSA-N 426.538 0.336 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 787255017 CAKGJFKSXCILFH-IBGZPJMESA-N 430.472 0.515 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cnc1Cl 794623404 NBLBNQKDVMKDHV-ZDUSSCGKSA-N 446.916 0.251 30 20 ICED CCN(C(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 796280358 SEYKNLVXODCLTF-HNNXBMFYSA-N 438.506 0.650 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 799268059 FIECMUFYJGJMGI-QGZVFWFLSA-N 434.518 0.071 30 20 ICED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 804550262 VDYWGXOOGULMPS-UHFFFAOYSA-N 435.462 0.006 30 20 ICED CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C(=O)NCC(=O)NCC#N)c2F)C1 807401212 KBRKJTMECYPAAI-UHFFFAOYSA-N 433.440 0.813 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1C#N 809502399 MGRDMFAWULIOGO-UHFFFAOYSA-N 435.484 0.966 30 20 ICED C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C 813774806 MVENSJPGINHUPI-WMLDXEAASA-N 437.518 0.534 30 20 ICED CCCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916876239 UFGVPTDECOKOKM-QGZVFWFLSA-N 434.518 0.826 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 917065233 LAIUEKOZEUQNPM-UXHICEINSA-N 447.557 0.733 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCN1C(=O)c2ccccc2C1=O 917847517 JQFSZELSBJPJSA-UHFFFAOYSA-N 427.438 0.955 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)c3cnn(C(C)(C)C)c3)CC2)o1 919434408 HCJXNKMZMCJXIT-UHFFFAOYSA-N 428.449 0.881 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1315007627 NAQNVJHYZHOZIG-QGZVFWFLSA-N 439.476 0.610 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1335799873 FGDIKJGHNYGLBQ-QGZVFWFLSA-N 447.517 0.694 30 20 ICED Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1667463080 QJBBVLBMRWIHPA-UHFFFAOYSA-N 441.510 0.871 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1706748960 MUIYCXGKABJKQR-ZIAGYGMSSA-N 441.583 0.346 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1728685024 ZBBSMEAFULBNQW-INIZCTEOSA-N 441.521 0.512 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1749547180 LOPPAMAKNZUXCV-WMLDXEAASA-N 434.522 0.606 30 20 ICED C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1751089695 MYNBQSFNTCIUEO-OAHLLOKOSA-N 426.481 0.913 30 20 ICED COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1769853683 JBYLLVXGZDJDGU-CVEARBPZSA-N 442.476 0.386 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2Cl)CCO3)CC1 1778265698 CWNBWVFOOSCARU-QFIPXVFZSA-N 445.951 0.903 30 20 ICED O=C(/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2)NC1CC1 1778831977 NLRJUFRXOXATMW-XMKISXEISA-N 434.493 0.180 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1780806632 BZDIYLPEFIUQFT-AXVVYFOYSA-N 443.566 0.878 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195329 YICPRBWXQJTGGB-VGSWGCGISA-N 438.488 0.793 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1782763777 BXVDZGJXYQLPJZ-YCRPNKLZSA-N 426.452 0.922 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565637 OEHMIUMFUDAQOA-KSFYIVLOSA-N 449.504 0.764 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784598402 VTPUAVPTTHADGZ-OPEYRRHPSA-N 433.530 0.978 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509355 OBSVQLIKVZEISM-QZHFEQFPSA-N 427.505 0.859 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790545971 RCHLPIAZXVQUNT-YWMIEGDOSA-N 438.528 0.771 30 20 ICED C#CCO[C@@H](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 1793340345 SKGFITATUYNFQX-NXOAAHMSSA-N 437.537 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2 1793340480 XNAMXROEBBJEAI-ARNOYJHMSA-N 428.485 0.844 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nc1F 1794243166 JFEKWMQXQOPWQV-LXLDKNIXSA-N 436.871 0.936 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(C)=O 1795144704 DWFDUIDLGSHFDG-ZMMAXQRCSA-N 435.521 0.862 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 1796788039 SZHIZSLAZSTLNF-XEMDLRDOSA-N 442.516 0.943 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc(O)n1 1797811766 VHEXIJBRAOMVAL-LPCGOZMWSA-N 432.477 0.828 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871148 BLMZEZRBZUCCEF-LJCCNALRSA-N 427.505 0.378 30 20 ICED 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)[nH]1 1798184305 UIIXCNJFXWUYEH-HLPPOEQASA-N 447.492 0.235 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CC2 1800100652 RQSRSONFVOZEFP-HEFCWWFNSA-N 425.485 0.813 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201227 KWMAUKGKKCKFQD-ONMISFSYSA-N 434.562 0.744 30 20 ICED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)cnc2c1cnn2C 1800985456 IPJCRJJRYPNIIB-JFILPPLUSA-N 433.534 0.889 30 20 ICED 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)CCN1C(=O)OC(C)(C)C 1802254138 UOYGXPFXYJDIIO-DBDOFBCQSA-N 449.504 0.310 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1803563797 NUPJSVWCVGCDDJ-SIXWZSSISA-N 429.477 0.230 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804182653 HODKEUUKTRQVQA-LAUBAEHRSA-N 443.504 0.622 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1808756924 HNHLALNPCCYRNF-WSTZPKSXSA-N 440.548 0.990 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1811543593 AFRNZQWDDGYXND-HRAATJIYSA-N 432.440 0.526 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821715501 OKLSPUYVCVEYRO-JSGCOSHPSA-N 436.469 0.746 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CC2 1825661220 KXXPYFOJWILYHE-QWHCGFSZSA-N 444.513 0.934 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989638 LBFLRNCXOFVYFY-STQMWFEESA-N 445.501 0.364 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829846071 MCLZBHKDVBUKBC-OFNKIYASSA-N 442.516 0.472 30 20 ICED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831039648 PHGNHFFXSZUUQW-FQEVSTJZSA-N 437.880 0.901 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc1 1831563765 SLOGDEADQWGHMD-AVRDEDQJSA-N 442.472 0.056 30 20 ICED O=C(CCc1cn[nH]c1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832940674 KMHKFEUSFIHSLU-MHRHTVJOSA-N 429.477 0.511 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833257617 WMGCTDREZWYOGS-SFHVURJKSA-N 425.800 0.032 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1833465406 DIEYRCFNUFYZJP-JXFKEZNVSA-N 447.605 0.623 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(=O)c3ccco3)CC2)CC1 1833754404 WHAPTOMSAFZXPD-WAYWQWQTSA-N 442.516 0.892 30 20 ICED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835739123 RZIVNCNBKMIEED-UHFFFAOYSA-N 445.593 0.556 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837277917 BUEWXWVBZFZHDA-NPGRCNIMSA-N 425.595 0.737 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1837403263 JBDGUYCUBXIYAF-IERDGZPVSA-N 438.521 0.359 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492748 QTSHUJLJOFVFKE-OTRAAIJSSA-N 447.532 0.181 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527069 XFGRKNYGDAHCHO-IQFRNVLWSA-N 439.509 0.563 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563766 ZMBSOCCHNXSZOG-LWOHLBADSA-N 444.492 0.641 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639456 HVRFNHQHXGMJCH-JTDSTZFVSA-N 425.555 0.325 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839176176 AFKGMBSTBGQPMX-RWWKDMOOSA-N 438.521 0.503 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839226024 BMOLKWYZZRGSNJ-KUHUBIRLSA-N 437.453 0.794 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839228466 FDAUXQSKLCYZQL-JXFKEZNVSA-N 435.481 0.113 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnco5)C4)C3)c2c1 1839487448 IYCAOSXYGMTCEX-NRFANRHFSA-N 436.428 0.806 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccnn5)C4)C3)c2c1 1839488267 IAAOHISMXYVZPI-QFIPXVFZSA-N 447.455 0.608 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840083722 VFPUAGVQJYKQIW-WQTXXOFMSA-N 448.520 0.756 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161151 GBYAYPAOAJSNOR-KDOFPFPSSA-N 428.580 0.726 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840176420 IQGVXRZWSCNLBF-NZQKXSOJSA-N 447.507 0.905 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487809 KXSZIUWTVXPREZ-HCIHWQEHSA-N 431.493 0.747 30 20 ICED COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CCC1 1840616494 ZJCUNIYTFQGZOY-JOCHJYFZSA-N 436.553 0.684 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645582 CARXXGOPDHUVSE-AOMKIAJQSA-N 431.489 0.447 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1840715807 NGGVDBMWWRBJCJ-VGSWGCGISA-N 438.488 0.675 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896947 CNYMAUXXFOJCSX-IFXJQAMLSA-N 441.575 0.515 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1841054637 YGVJJKRCJFPTJT-HJWRWDBZSA-N 437.500 0.552 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@H]4CCCCO4)C3)cc21 1844300904 FTUSGIFMIPUNRZ-KCDOPAPYSA-N 444.492 0.363 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1 29447457 LLHCWDYJMILSCE-UHFFFAOYSA-N 426.502 0.312 30 20 ICED COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 64742705 BHQCQJJYDFMVPV-UHFFFAOYSA-N 433.446 0.797 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409574654 GEYKFBJOJHLSLD-WMLDXEAASA-N 425.486 0.239 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 441912553 UFJYBXBJTPKUGG-DNVCBOLYSA-N 426.473 0.790 30 20 ICED CN(C)CCOc1ccccc1N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444659529 DKUBBCCNAQKTBG-UHFFFAOYSA-N 439.520 1.024 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)C[C@H](C)O1 465393834 BLEGGAAGVNBINE-KBPBESRZSA-N 446.526 0.358 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 465461556 VVFXBWZXVJNOQU-GFCCVEGCSA-N 435.400 0.590 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(=O)n(C)c1=O 471149911 BMBDGBNVQFJOIC-SFHVURJKSA-N 438.532 0.850 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 472340483 NDERCVQPXPPDAM-LBPRGKRZSA-N 439.494 0.790 30 20 ICED CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 478135923 PSABNLUZZCZDPS-HOTGVXAUSA-N 440.460 0.955 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487499967 HUNAYRQWBJXQMW-ROUUACIJSA-N 433.534 0.630 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)n2)cc1 491458661 NDEVNIZSNDBINS-LJQANCHMSA-N 437.504 0.707 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 493910463 FLNVAQJRGSASLH-INIZCTEOSA-N 428.518 0.981 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 501245283 XECVRRFFEKUSRE-WBVHZDCISA-N 436.534 0.568 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3)CC2)CC1 512464391 XAIPKTZHWOPSQS-OAQYLSRUSA-N 426.565 0.935 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 517116423 MVXNRLRWNLQNLU-GOSISDBHSA-N 434.456 0.142 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 523326501 SMQGZVRDNLTURJ-UHFFFAOYSA-N 428.518 0.671 30 20 ICED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)nc12 525642992 UOIRFQQLVJHQAK-OAHLLOKOSA-N 438.469 0.877 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 533300037 XJDCSNUHRRYPTN-LJQANCHMSA-N 426.498 0.946 30 20 ICED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 533455852 OHGUWEMPCNQYDA-CQSZACIVSA-N 437.464 0.319 30 20 ICED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 558075436 LWZBYXOBXPTANV-HUUCEWRRSA-N 443.460 0.765 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)o1 558727376 UXNLISSTWLTLSB-GFCCVEGCSA-N 427.446 0.953 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 572448902 WQXSAGDHASPRNJ-OAHLLOKOSA-N 426.454 0.680 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 572686443 KLTHZYVLNZCFIX-UHFFFAOYSA-N 443.529 0.444 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 573642784 UKVWFZZNFSJPPJ-AWEZNQCLSA-N 427.914 0.927 30 20 ICED CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 580913232 CTXMDAXBYCJDOC-ROUUACIJSA-N 440.500 0.966 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 583826677 VLKRDSYCOAWJMQ-UHFFFAOYSA-N 448.505 0.394 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 588823038 HWOJBDWWHYXOAR-FQEVSTJZSA-N 435.532 0.721 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 603788248 ASOHYIORNZTIJZ-UHFFFAOYSA-N 432.505 0.964 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 619707097 QCZPXKYAEFRWFF-UHFFFAOYSA-N 426.442 0.690 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCCOc2c(C#N)cnc3ccccc23)n(C)c1=O 726361959 BROXLNGZUAXTEY-UHFFFAOYSA-N 434.412 0.476 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 731407531 WVWBQIBHJQPVPI-CQSZACIVSA-N 440.547 0.798 30 20 ICED CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 747993936 QJWQYPVBWHRHQY-NKFKGCMQSA-N 449.533 0.565 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 750300853 KMYYPYNTHDVDGI-MPUISCFQSA-N 443.551 0.655 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)[C@H](C#N)C1 754118110 IHNNMAACWRVUMA-BXUZGUMPSA-N 444.535 0.908 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N1c1cnn(C)c1 758547005 YKLLGCGNPMCZJA-VRKREXBASA-N 431.497 0.972 30 20 ICED N#Cc1cccc([C@H]2CN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CCO2)c1 761756506 AAPMXZBYQZMERB-VQTJNVASSA-N 432.546 0.263 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(I)c2)CC1 763350137 TVFQICFEJXBZBT-UHFFFAOYSA-N 441.269 0.807 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4C(=O)OC[C@@H]4C3)nnc12 764135009 NEHJABKEDNKJJC-ZDUSSCGKSA-N 440.485 0.985 30 20 ICED O=C(COC(=O)C#Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 773452719 MWGRARYPMKKMRT-UHFFFAOYSA-N 442.493 0.919 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)c1 785286824 RMOPMIJTENWOQH-ZGIZLIOWSA-N 444.460 0.666 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)nc1 785603857 WBXKCIZRIUFVER-UHFFFAOYSA-N 432.366 0.859 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc1 786222038 FFDXBFLCHSONLM-UHFFFAOYSA-N 436.472 0.270 30 20 ICED CC1=C(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)n2ncnc2N1C 791469067 QQPZATGWCCOIKL-CYBMUJFWSA-N 440.464 0.623 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCS(C)(=O)=O 795197052 GANZOMRIFMFKEF-GFCCVEGCSA-N 436.559 0.115 30 20 ICED NC(=O)N1CCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 812375147 TZVMDJKXZCRCFJ-UHFFFAOYSA-N 426.455 0.558 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)[C@H]2C1 815704440 GZTFFZOKNPRRGV-NKTBBRNUSA-N 433.534 0.600 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 917194352 IOEXYOCKOFRBHC-UHFFFAOYSA-N 435.527 0.778 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288977155 JXVUGUMFAPJHLE-SFHVURJKSA-N 431.522 0.805 30 20 ICED COCCN(C(=O)CN1CCC[C@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308064508 PQXAJYWHANHRGS-QGZVFWFLSA-N 440.504 0.794 30 20 ICED CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1315063675 OOOYIBRSHCJMFY-UHFFFAOYSA-N 440.533 0.882 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1318459021 DGBNBVYUVCMDMN-ZBFHGGJFSA-N 435.550 0.350 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1455915105 JLEFWAHOLAUUST-CYBMUJFWSA-N 445.501 0.919 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1515315026 NGTYNNGCINKRNF-KRWDZBQOSA-N 441.492 0.158 30 20 ICED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCC1 1515975277 XRRZYVOCPGJWQS-CQSZACIVSA-N 437.570 0.935 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1=O 1653039525 JMMPAXVRTGMYCB-UHFFFAOYSA-N 428.392 0.745 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1697024057 WEWGJOMLJVIUFJ-ZWKOTPCHSA-N 446.533 0.750 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1722487463 PINZOTFRDJCGQH-UHFFFAOYSA-N 426.319 0.771 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1769516377 LJULRHMYABIIRG-GHTZIAJQSA-N 429.477 0.732 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778872225 QKXWQVJKNQFPHI-XGRCMKMKSA-N 427.457 0.589 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065492 UGCWSLFCKPMPEC-GCJKJVERSA-N 429.521 0.443 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781470788 XXDYVGRRHORLHL-RZQQEMMASA-N 426.583 0.575 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963389 GTEVBBNBLYSUJK-GHTZIAJQSA-N 432.452 0.292 30 20 ICED O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783497392 AQOKEWQGMXLSPE-GMZFGXKRSA-N 434.562 0.727 30 20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567921 ITKXCGJPYWNLDI-PONJGIIJSA-N 449.504 0.598 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1783901066 UHXOGIIYEJMXMD-MNVSYLFESA-N 445.582 0.799 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784009918 DOIOTMMWYXUXLD-GKCIPKSASA-N 443.566 0.507 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C[C@@H]21 1784483031 VOSGUKBXNQXCJN-ZQEYTMCDSA-N 443.500 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1784484734 ZKTFQJWVMOOJNF-XSLAGTTESA-N 440.504 0.373 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1785078793 NFPKGUCXBAXKNJ-ITSWEJNFSA-N 442.516 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccsc4n3)[C@H]2C1 1788389587 DRLPEPDRTHMGTC-RZXAPVBSSA-N 443.529 0.848 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1788573934 VTTPKRWRSZTOIG-VYJAJWGXSA-N 436.597 0.175 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790566354 JTOPFVLKMZBBJO-LAQRGFTBSA-N 433.509 0.895 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791076391 BBCGMGHKUVJEKX-WDSOQIARSA-N 427.457 0.255 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)c1 1791347017 DPZZOWUYQOWFGM-LPWQTFTOSA-N 440.500 0.686 30 20 ICED CN(C)c1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1791469459 UQLPVFBXPLLVBN-IHPCNDPISA-N 427.501 0.753 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1792489823 XHEPNAQPXZIOKM-PMBNNVTJSA-N 438.484 0.628 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792519578 BTARCTUIZHUXSL-VAKZPMALSA-N 425.441 0.853 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CC(N)=O)c(O)n1 1793428441 NPLFNWXYUPILBG-BKEDOTJMSA-N 430.505 0.621 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 1793869135 PZANPKNNBYTPAL-ZTENYAIWSA-N 445.541 0.971 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CC1 1793906025 MMOZRSQKRRMEDH-MUJYYYPQSA-N 449.504 0.475 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2)C(=O)O 1795645003 UIIFCAANQFZQIY-QFNVCVKDSA-N 428.489 0.580 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796026675 KEPNIIXZGWSEKZ-YYIAUSFCSA-N 446.552 0.381 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(Cl)ncn1 1798307922 SGUZJCRFELWJAU-RURPVRBFSA-N 437.884 0.862 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1cc(=O)n2[nH]cnc2n1 1798495723 YUIRPCIOCVOOIR-FNXANWTESA-N 443.464 0.198 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccccc2C(=O)OCCO)CC1 1798565956 ZXBTXIIDNMTJTL-JLVBRIDZSA-N 427.457 0.343 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)NCC(C)C)C3)c(C#N)c1 1799237313 HGKYUYBHCOMIQC-RMFSNUHRSA-N 442.516 0.471 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383501 NEDXAIZAFPTCEI-HATOLVCRSA-N 440.537 0.076 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)S)[C@H]1c1cccnc1 1813338982 YDQZVPJEIGVOCP-HQJJXPTPSA-N 444.561 0.876 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1814986162 XKEVVTXPYVAVTA-CHWSQXEVSA-N 432.550 0.863 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1817315105 ATUZQJYKALMMPB-DZGCQCFKSA-N 432.529 0.276 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905253 YCPBSCWPPSRYDX-WBVHZDCISA-N 435.525 0.959 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1829764632 QWMWSSJJMMKMPE-VELRTKLYSA-N 440.500 0.410 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1829891142 VSIITMZTOYQOCH-DEOSSOPVSA-N 447.576 0.483 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831217950 FFIBUSCKHQRMLS-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015555 VGQYMPXBYXESKP-HSZRJFAPSA-N 447.532 0.750 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cc1O 1833406693 AANZRPWBIBDRET-NRFANRHFSA-N 425.445 0.381 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1833472973 FRHDYETUBHWUDN-INIZCTEOSA-N 432.521 0.862 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1F 1833669421 SFOKTAPDHWCNBL-HXUWFJFHSA-N 436.488 0.209 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1835101539 FOSYADIXYXTRAA-DEOSSOPVSA-N 439.512 0.507 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1835355056 QRHFISRJMRWSPU-JOCHJYFZSA-N 436.472 0.912 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCCNC)CCO3)C2)c(O)n1 1835660046 BLKSANCDVDBINZ-QHCPKHFHSA-N 446.548 0.975 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835767755 PXYCAUUSGNWISD-CPOKCXMASA-N 447.540 0.379 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1)C(F)(F)F 1835990857 FTEYKJNGXIEJSC-SFHVURJKSA-N 430.427 0.928 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1837398984 LFLOJOKMDNPNQL-JPYJTQIMSA-N 446.548 0.791 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441301 ZQHJRYDBSAPOAT-YQNSVDCASA-N 429.521 0.932 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)on1 1837486738 MZFQKARAXJBUIG-QHCPKHFHSA-N 445.516 0.681 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837490771 PBXVBOZQLCYWIS-HSZRJFAPSA-N 445.491 0.989 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837559875 IZIADWNPTVJOBI-UUVZMSSXSA-N 446.548 0.887 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837564225 CXOAYHGDEZDCAA-QBJJFQHPSA-N 444.532 0.495 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838506625 FZVQQDUNWFTLJU-VBKZILBWSA-N 447.517 0.747 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838740828 XAWQQBGDWBUOOF-NRFANRHFSA-N 440.460 0.085 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1839419915 BROXNIFBBBYTQW-NRFANRHFSA-N 427.436 0.664 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488922 IUKQVKZMLIHCCW-ZUOKHONESA-N 429.502 0.823 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839737901 DNXXJYZDSUZUFD-SGTLLEGYSA-N 441.410 0.513 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1839888105 RWHUFHFTQMLFMD-GOSISDBHSA-N 426.420 0.894 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840043500 BVYZQYDDBWHLMF-JOCHJYFZSA-N 448.447 0.771 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279773 AYLDSDOTELLENO-DYESRHJHSA-N 426.510 0.270 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381281 SLKCXGCZDCRDDV-RDTXWAMCSA-N 440.526 0.154 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781959 VYZKZIYHNPUCDF-AOMKIAJQSA-N 434.464 0.426 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840817263 PEIYPTHLKKCSQZ-QFIPXVFZSA-N 448.520 0.615 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843890248 YSVIABXJNITQMJ-CABCVRRESA-N 437.468 0.873 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845580980 NNLSJPGCNSQKFO-CYBMUJFWSA-N 429.502 0.932 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1847073556 IVMDGBUWNSJESI-HNNXBMFYSA-N 444.488 0.031 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 437417364 CMDUKUZQVZNDKG-AWEZNQCLSA-N 438.506 0.663 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1=O 441955535 IYOICHRDFAYVPF-GFCCVEGCSA-N 425.850 0.604 30 20 ICED Cc1ccn(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c1C#N 460450626 BOVUXNWWQQZENV-UHFFFAOYSA-N 430.486 0.366 30 20 ICED CS(=O)(=O)c1nnc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 472575556 XNKKQYDLNLGTTC-UHFFFAOYSA-N 427.533 0.320 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1 477642600 XIPXZIFHZAATRP-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]3(C#N)CCOC3)CC2)o1 478649696 FOAUIIQONIQVSU-SFHVURJKSA-N 425.463 0.656 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)cc1 490351821 HCZXMALRCOTAEI-UHFFFAOYSA-N 449.515 0.706 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491397387 BSVQYJISPLOJDZ-UHFFFAOYSA-N 425.493 0.706 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 505998915 ZVEWWHWOOUMZJL-ZBFHGGJFSA-N 437.518 0.781 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508845759 CVOZXODYAYVCBS-UHFFFAOYSA-N 437.526 0.718 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 509012293 PNCFXHQHKGJCKK-ZNMIVQPWSA-N 427.527 0.432 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)CC2)nc1 517625046 MCZWBQJOMAYLSJ-UHFFFAOYSA-N 436.457 0.327 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2CC)c1=O 532799891 GAKVUZWTSAVVPZ-UHFFFAOYSA-N 447.586 0.241 30 20 ICED CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1F 538748464 KTGZAUWLTZROBV-UHFFFAOYSA-N 448.542 0.824 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OCC)c(C)cc2F)CC1 551495024 GMAJOMIAFUCWPU-UHFFFAOYSA-N 434.468 0.696 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 568429139 CZMHUHARRWIWKA-UYAOXDASSA-N 442.564 0.855 30 20 ICED CCN1CCN(CCc2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)C(=O)C1=O 570760780 PJCBEMGITHFMEG-UHFFFAOYSA-N 427.465 0.855 30 20 ICED CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 580795738 LROZHOCIKRHISD-ROUUACIJSA-N 447.486 0.963 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O 581279157 PCJBPUVBDWWIFY-UHFFFAOYSA-N 439.856 0.441 30 20 ICED COc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1NS(C)(=O)=O 581936396 OKQNQRWGKWLWDU-UHFFFAOYSA-N 438.487 0.855 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 604506915 TVIFFDBBHRQWQV-UHFFFAOYSA-N 436.472 0.503 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038750 XXLOABUXZUAJRI-UHFFFAOYSA-N 434.521 0.813 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726584662 IQQQKGYNGCJWOE-KRWDZBQOSA-N 426.521 0.812 30 20 ICED Cc1ccc(S(=O)(=O)NN=C2CCN(CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 731559880 NCTRHMXQUNOINZ-UHFFFAOYSA-N 425.511 0.966 30 20 ICED NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732234162 VVFUCNDQNLESBR-RJCBAWPRSA-N 426.477 0.784 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 732444398 LSBWCEJBWCKFGH-MRCUWXFGSA-N 426.521 0.760 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 733892710 SAXJXJBFMDXWJS-MSUUIHNZSA-N 426.882 0.651 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H](O)C2CCOCC2)CC1 740973876 ADWXKRXRBUUAMX-GOSISDBHSA-N 444.444 0.786 30 20 ICED N#CCn1c(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)nc2ccccc2c1=O 744414441 GFPORXDCHPFKIQ-UHFFFAOYSA-N 428.474 0.556 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)ccc1F 744688481 TZQCRZWLYHQGDB-UHFFFAOYSA-N 446.482 0.159 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C[C@@H]1CCS(=O)(=O)C1 744990425 GIGCABDJLNQYHW-AWEZNQCLSA-N 447.469 0.734 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 747969200 ISZVWBWQIAIOMC-UHFFFAOYSA-N 434.518 0.701 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2=O)cc1 753990380 LVSQILIHWWUCFG-KRWDZBQOSA-N 430.428 0.390 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CC1 761272579 LTJZXEKNONTOCP-UHFFFAOYSA-N 443.547 0.607 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934734 CTAAJTIEXHNDLO-QUJCMNEKSA-N 438.506 0.438 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccn(C)c2)c1=O 763464683 BPWZTFQMLGLQQI-UHFFFAOYSA-N 434.443 0.938 30 20 ICED COC(=O)c1nccc2c(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cccc12 766806205 OIGMDDUGXHMXQH-ISLYRVAYSA-N 430.442 0.826 30 20 ICED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 771896587 DFABNNIXMQHGMP-UHFFFAOYSA-N 429.296 0.939 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1cc[nH]n1 772207704 XIRCQJVTCPJFGA-UHFFFAOYSA-N 449.414 0.956 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 783053698 OSKFZTHKQSVCQM-UHFFFAOYSA-N 444.579 0.735 30 20 ICED N#CCc1ccc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 787003471 YFQDZEFGZSTUEK-LJQANCHMSA-N 428.489 0.948 30 20 ICED CS(=O)(=O)c1cccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 791473531 OOSJQWMNCVABTH-UHFFFAOYSA-N 436.467 0.666 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 801617849 RHHXCVNOSPRFKV-LTGZKZEYSA-N 443.551 0.701 30 20 ICED CCn1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 807372304 FAOOJJHPMICJEO-QJOMJCCJSA-N 432.506 0.971 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810398949 QPWCUBPSZPRDPI-UHFFFAOYSA-N 443.464 0.423 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838689994 KMHVAPZRRFIKCV-UHFFFAOYSA-N 427.436 0.716 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)ccc1F 914658818 HLQCWCFSCLSOEN-AWEZNQCLSA-N 427.454 0.313 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 918342392 IPSXPFVHDQDYOC-UHFFFAOYSA-N 443.481 0.862 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 919988079 JOTWBDCDFSYVQV-CQSZACIVSA-N 446.522 0.662 30 20 ICED COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1301031428 WQXXJTWRABJCPK-OALUTQOASA-N 428.541 0.978 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1359474692 WCBSSADVIAMDBA-JKIFEVAISA-N 444.583 0.075 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1360681378 QHLAMMCSWRUNID-SJCJKPOMSA-N 439.521 0.725 30 20 ICED CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1503738770 MFWJOOQPBCFVMP-QGZVFWFLSA-N 425.493 0.747 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1504888414 QKGLAWQBGQMZTH-PGGUUEOZSA-N 429.568 0.458 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCO1 1517534708 IIFJMHCVYWLUGX-LPHOPBHVSA-N 439.520 0.489 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1541945766 LIGHAHWUKLTSGS-CABCVRRESA-N 426.543 0.702 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCCn2cccn2)C1 1620170735 KOBNHVVUVHAVFD-KRWDZBQOSA-N 448.553 0.638 30 20 ICED N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2ccccc2Br)c(=O)nc1O 1634049010 WOOXEWORAAXIEG-GFCCVEGCSA-N 435.278 0.941 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697728909 NUXCJYQJWCGJAN-KSSFIOAISA-N 444.533 0.726 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1729717328 YCYOBMBMGTZCQN-UHFFFAOYSA-N 433.476 0.540 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@H]1C 1761478176 GWNQHMSAKBJJHR-CVEARBPZSA-N 439.586 0.739 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1761502556 PRYPJKCJCMKDEZ-PBHICJAKSA-N 446.533 0.795 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1=O 1769901152 UCEKBUDCZQPMAY-UHFFFAOYSA-N 437.504 0.638 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1780124721 WNUSQSYQKJMASS-HXUWFJFHSA-N 430.417 0.192 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)nn3C(F)F)C2)C1 1780309937 IUEASLOIEVJKJL-BBIZLLLXSA-N 437.447 0.889 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781170924 FOUJGIKYNWRQJV-MWTRTKDXSA-N 442.516 0.854 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299997 GZYBMIDLXGWSMR-NQIIRXRSSA-N 448.451 0.134 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781853682 OLWCSYHHPDYYSA-UTKZUKDTSA-N 441.525 0.642 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cnc(O)nc5O)CCO4)C3)c2c1 1782195807 KANCYXVIJLNJEE-OAQYLSRUSA-N 449.427 0.393 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1785574859 UYFWRPJLHZFTRM-YVHKJVDXSA-N 435.521 0.912 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362070 HXSKWZKLVJVBTM-ULQDDVLXSA-N 438.525 0.811 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1786649159 LNCIZHJUKYUOHF-QRTARXTBSA-N 445.501 0.072 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccccc3)[C@H]2C1 1786664611 KSLSKGGSCABYBO-UYIXNLNJSA-N 427.501 0.558 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCSC(=N)N)[C@H]2C1 1786851560 OTSPVEQRNVAOHG-BQFCYCMXSA-N 445.545 0.934 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c1 1786892391 YTJLMZFVWIJYDY-HVRBKMHZSA-N 441.532 0.500 30 20 ICED N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)c1ccccn1 1788631654 RWBGHXZNLZAGCS-RJOZEALSSA-N 440.544 0.760 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1788638076 QCMCYQGVRGTONS-TXTZMMAHSA-N 444.550 0.415 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810472 SVFSDTNDUFDBRX-YDHLFZDLSA-N 433.469 0.193 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[C@H]2C1 1791195286 KVNABXVMBJPRNC-JONQDZQNSA-N 437.493 0.056 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1792566695 VWTXDADXLHFIGH-MDRAIRIBSA-N 428.533 0.884 30 20 ICED 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)CC2)C1 1795411314 FLRMZPXUPQOWFQ-BPKGMFCQSA-N 448.520 0.108 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)cc1 1797164148 BYDDAWVEXYLLHH-RMFSNUHRSA-N 426.473 0.533 30 20 ICED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780579 CQOSEUUETMVDRR-ALXJQNPVSA-N 428.489 0.387 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1797812367 RVOWBPKQMKNMMM-KDPMZQQDSA-N 442.476 0.462 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1797837638 ADRYLWQNNGDGIE-VZHSUQGRSA-N 427.461 0.581 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)cc1 1798354484 BKGCBEUFTRVGFL-IZZQQSIFSA-N 448.483 0.283 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498478 NENWRVVYAMBXKH-VPTLXERWSA-N 441.488 0.276 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1802478284 RWSHDVSLMGLCIT-UKFPXBFUSA-N 434.500 0.979 30 20 ICED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1802578045 OKFJJHHWQVAJSU-DENIHFKCSA-N 430.472 0.888 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810357297 HOKYTQLSNJNBSN-PMFAFXQTSA-N 431.493 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812493675 GVNUBVSLAJTXAW-NXWXRZEISA-N 433.530 0.703 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817247481 CDOWRSLVBUFTRA-DOTOQJQBSA-N 444.536 0.693 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817292123 CCXLVEBZGDMUSD-OAHLLOKOSA-N 429.529 0.524 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825069509 SGJVFRXYZAETKG-SEDCNLEPSA-N 445.520 0.063 30 20 ICED O=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)=NN1 1830468757 WYDIWLHQMNWLBR-NRFANRHFSA-N 444.875 0.024 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830707229 OMZVYFTYLZXJOE-LZJOCLMNSA-N 440.562 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1831387349 PFHGGGJHXADELW-KKSFZXQISA-N 435.908 0.772 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831485121 NXTPTEPXSDABLG-JXFKEZNVSA-N 436.534 0.205 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1831951127 HMTJVFLOVBATTC-YQNSVDCASA-N 445.520 0.632 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435034 DGPSYVZFKUAVGH-VSWNAAFFSA-N 438.506 0.742 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835677094 ILBDOSNTKJOCJP-HXUWFJFHSA-N 435.550 0.803 30 20 ICED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169946 HTVWVCPBWLKSGR-UHFFFAOYSA-N 428.537 0.844 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c(O)n1 1836349003 UHSKWZFKVDOKIZ-NRFANRHFSA-N 442.476 0.408 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441704 ADVFDAJLOONKEX-HLQTZPMBSA-N 446.508 0.027 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446907 KEXQBQKRHTVHTQ-NGMJZNPLSA-N 449.596 0.787 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccnc1 1837487148 XQPBRUNHWNMBCS-AUSIDOKSSA-N 444.532 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837772885 PCNBXLCYKBINEU-VKUXZERMSA-N 448.907 0.663 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838022997 HGJJUDBBFSZSJW-CQSZACIVSA-N 443.508 0.637 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c1 1838071457 QHUMOJHGKKQFTO-HXUWFJFHSA-N 429.408 0.510 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838120939 OENRUJZKYUYPLT-FOIQADDNSA-N 431.518 0.656 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953089 OLLZGUJEPDCEMN-VXKWHMMOSA-N 445.472 0.244 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839223248 QTYYQEOFRRMBTN-IIBYNOLFSA-N 434.493 0.961 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1 1839362279 JDMBZFVMMLQHOQ-XMSQKQJNSA-N 426.473 0.101 30 20 ICED CC(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839485964 FVQYQYIQMCKNDL-JOCHJYFZSA-N 441.488 0.930 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839880482 RGKJABSLHLICNI-QKKBWIMNSA-N 448.907 0.806 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840145694 OGTOHHZAPJIPTO-DRSNIGMVSA-N 433.505 0.726 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840160787 RYIOHKUOLNMLIN-QVKFZJNVSA-N 446.529 0.554 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840291971 PPVLGGNXFITFLG-HXUWFJFHSA-N 426.535 0.543 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C)=C/c3cccnc3)CCO2)C1 1840411958 KRXMTOQGJSZSFD-BTHQRXJZSA-N 427.501 0.980 30 20 ICED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)CCC1 1842305810 YPVQKPWTPMIHRF-UHFFFAOYSA-N 436.516 0.919 30 20 ICED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c2C1 1842314637 GGOBQOALBOGION-UHFFFAOYSA-N 443.460 0.565 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 18447219 MPRUEECOCJCHPB-HIFRSBDPSA-N 444.531 0.342 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)cc1 26879291 HICUSCWJTSCZSS-HNNXBMFYSA-N 443.572 0.311 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409574652 GEYKFBJOJHLSLD-RHSMWYFYSA-N 425.486 0.239 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCOC)[C@@H]2CCOC2)cc1 427907192 VHTHEHVBGNSNAZ-MRXNPFEDSA-N 425.507 0.696 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 428519752 CYKYPGFEIKYWKQ-AWEZNQCLSA-N 437.485 0.921 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 430398270 XOSQYFMESCNHTO-BQFCYCMXSA-N 435.525 0.909 30 20 ICED C=CCNc1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)s1 433167053 HLIQJSUQEWPMKW-UHFFFAOYSA-N 436.563 1.018 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](N4CCCS4(=O)=O)C3)CC2)o1 434748468 UXSBSOJPTWOKSZ-INIZCTEOSA-N 436.538 0.003 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 440263321 AXISVWOFWDKZTQ-KRWDZBQOSA-N 436.534 0.901 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441954430 PIVLRYFAAFSJSM-FQEVSTJZSA-N 447.879 1.545 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCSC 443560831 ZQZJGZBLOGDDIK-UHFFFAOYSA-N 447.582 0.937 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 460954309 CDZWYVRONQXYLG-LSDHHAIUSA-N 449.599 0.494 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCO[C@H]2CCOC2)cc1 465324945 ZZPKXEAWZZMCNF-INIZCTEOSA-N 425.507 0.743 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)N4CCCCCC4)CC3)C2=O)cc1 477089143 ZXFRYNGZCFMBER-IBGZPJMESA-N 445.545 0.929 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 488616035 BNDJOBVGJYVTLP-KRWDZBQOSA-N 444.455 0.698 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 489018718 GZFUQUUDHHCPIK-GDBMZVCRSA-N 428.514 0.321 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCCC(=O)OC 501761291 DEIMJSIUKFAQTH-UHFFFAOYSA-N 443.525 0.437 30 20 ICED CN(CC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 506687161 LORYJNAFPROOAN-HOCLYGCPSA-N 428.536 0.013 30 20 ICED N#Cc1c(CCCNC(=O)NCCN2C(=O)CCC2=O)nn(-c2ccc(F)cc2)c1N 506794206 CUYMKIGHALTHAG-UHFFFAOYSA-N 427.440 0.846 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n1 508330350 HNRWLDHLSHBGRL-UHFFFAOYSA-N 443.439 0.386 30 20 ICED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 508790502 KCHSHMHMCXDNNV-KRWDZBQOSA-N 440.570 0.795 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCCSC 514327064 CSEDIIARFBORNF-UHFFFAOYSA-N 447.582 0.937 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(C(=O)CC)CC2)cc1 516065566 VNZIXKFVSQFBKR-UHFFFAOYSA-N 436.534 0.903 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C1CCN(C)CC1 516828560 SUNMLMZJZFSQAI-UHFFFAOYSA-N 446.598 0.894 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 523745044 APPSJRVDFJEORO-UHFFFAOYSA-N 449.916 0.620 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCN(C)CC3)c2)CC1 524686199 BPKRLXSEZKUSLH-UHFFFAOYSA-N 433.534 0.257 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1sc(O)nc1C 526798063 IPIAMBIXQUNDCO-UHFFFAOYSA-N 439.475 0.071 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3ncccc3c2)n(CC(N)=O)c1=O 527279784 HWFAOLUTVFRFED-UHFFFAOYSA-N 444.476 0.063 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1cccc(NC(C)=O)c1 531630012 MYFIFVXXKDMXJS-UHFFFAOYSA-N 433.493 0.810 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 537251382 VCVKLAAEBUVEIV-QGZVFWFLSA-N 444.540 0.790 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 537309969 BOLKBCYHXFQRMS-ZDUSSCGKSA-N 433.450 0.461 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 541361579 YYLYJBWQTJUUES-UHFFFAOYSA-N 426.433 0.131 30 20 ICED CN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 551043110 LDXCSMAKJNODEE-CYBMUJFWSA-N 448.423 0.930 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc(Br)c1=O 551190947 QHRKEBXOWVUVIO-UHFFFAOYSA-N 445.277 0.702 30 20 ICED C[C@H](O)CN1CCN(c2cc(N3CCN(C[C@H](C)O)CC3)c([N+](=O)[O-])cc2C#N)CC1 553540086 CZJBVLXSZCXLPZ-IRXDYDNUSA-N 432.525 0.472 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 554694615 NSWYPHHXLGOLFK-UXHICEINSA-N 433.468 0.850 30 20 ICED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572877031 IMPCJRUNRHUYIT-PKOBYXMFSA-N 425.489 0.545 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)ccc1Br 581740475 YIZIPLZSNQCTTM-UHFFFAOYSA-N 436.295 1.042 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](C)C#N 609524994 UCOSHLYDVRLAPF-CRAIPNDOSA-N 436.534 0.738 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610811103 YXKQXYRGRVRJBO-PTAUBWNISA-N 433.490 0.062 30 20 ICED C=CCN(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 619564555 SNNSMALHLSQLQB-AWEZNQCLSA-N 434.561 0.584 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 730563846 DFWODEQORGMTGL-UHFFFAOYSA-N 433.511 0.006 30 20 ICED COc1ccc(CSCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 732907826 DLSSYCYVGABRPN-CYBMUJFWSA-N 441.487 0.802 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1=O 733183640 JBEXSBNYNLXQGQ-HZPDHXFCSA-N 435.525 0.831 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 735580006 JKRHBDCGVTXWJO-QBNCKDSPSA-N 427.509 0.418 30 20 ICED CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 739007056 RPDMEDODCXLRIF-MRCUWXFGSA-N 426.521 0.976 30 20 ICED C[C@H](CC(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745495922 JWBQLKRUBOBAHT-UKRRQHHQSA-N 445.501 0.976 30 20 ICED C#CCN1CCN(C(=O)CONC(=N)CCN2CCN(Cc3ccccc3)CC2)CC1 749873877 HLOHNROWAHZQJF-UHFFFAOYSA-N 426.565 0.470 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 754936998 LXHGSSOYWHODCR-UHFFFAOYSA-N 448.480 0.226 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Br)c2)c1=O 758090483 RNHLNZVEOYFGRA-UHFFFAOYSA-N 446.326 0.571 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnnn2-c2ccccc2Br)CC1 761031389 RENWUWUZTRSSJU-UHFFFAOYSA-N 440.327 0.010 30 20 ICED CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 761069417 DYSAUESBDVXPHW-UAHGDZPKSA-N 438.506 0.896 30 20 ICED O=c1n(Cc2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)nc2ccccn12 771279213 GSXPBLYOHFTOGP-UHFFFAOYSA-N 439.457 0.599 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccsc3)c2=O)cn1 772328021 DGTVAABFHSYFRX-UHFFFAOYSA-N 441.538 0.913 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@@H]1CCCO1 781503871 KXNBAYSNLPIWMN-ZFWWWQNUSA-N 443.547 0.765 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1-c1ccccc1 782617380 BRZSFCGQXLIBKR-UHFFFAOYSA-N 444.314 0.644 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)[C@H]1CCS(=O)(=O)C1 783481360 XARRWMASVMQVBI-KRWDZBQOSA-N 431.514 0.963 30 20 ICED N#Cc1ccc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)cn1 801291323 RIEFJDUZUASQGM-UHFFFAOYSA-N 430.468 0.674 30 20 ICED CC[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)S1(=O)=O 805397901 DEYRWYGBJPTUQD-UONOGXRCSA-N 427.548 0.929 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)[C@H]1CCCO1 809311900 XDARIPYJFVXYSM-SJLPKXTDSA-N 430.461 0.939 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1C#N 809501064 CAVLZLZJTGMEAY-QGZVFWFLSA-N 441.532 0.728 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 815860438 LNWOBMAQKHDRSP-UHFFFAOYSA-N 429.521 0.093 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)o1 915389260 SMCULIAVQLOUFK-DGCLKSJQSA-N 443.382 0.504 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1251865419 JKHAXXVGSZAVME-SFHVURJKSA-N 442.568 0.365 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C2=O)cc1 1320738978 XLCYKYWNPJYPFN-FQEVSTJZSA-N 441.509 0.784 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 1321333706 AUPXBMTXMDXGDF-PXNSSMCTSA-N 431.518 0.087 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 1338977104 PITKMKYQCRSWRL-LJQANCHMSA-N 425.533 0.286 30 20 ICED C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1611319632 KGWZEMOOTCZJJL-GFCCVEGCSA-N 425.540 0.557 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625897331 ZHHWIPQENIBFMU-ARFHVFGLSA-N 434.518 0.256 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1639194437 QHRLOIKFJSKYJQ-YCRPNKLZSA-N 426.498 0.881 30 20 ICED N#Cc1cnnc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1 1651341359 LYZFLVXHFJFCMI-UHFFFAOYSA-N 434.865 0.843 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1692767152 UOZBAGSUCJLTAS-CYBMUJFWSA-N 429.510 0.573 30 20 ICED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1695922913 YLIGUCYJDYOGMR-ACJLOTCBSA-N 441.533 0.637 30 20 ICED CS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1698319637 LKGHPFQIORIINO-INIZCTEOSA-N 441.514 0.261 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1722556710 RSDMVKJXBPLLOP-OAHLLOKOSA-N 441.945 0.832 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1729596997 OMBLSJJWTYGQKV-RXVVDRJESA-N 444.561 0.897 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1762434081 JPWKSGURQMPEPI-HXUWFJFHSA-N 447.565 0.819 30 20 ICED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763103181 MRYIPCKPEQESEF-FQEVSTJZSA-N 430.534 0.588 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1770460966 NUBBRWHIQJKMOS-OXJNMPFZSA-N 447.517 0.156 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1778876937 KHOJNBOXNYUBDC-HLIPFELVSA-N 427.567 0.913 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779064499 BJQWXHBHWXZFLA-QHCPKHFHSA-N 437.500 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098960 NAKLWIFGQIIBOW-VPRTWRDMSA-N 434.493 0.204 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100072 RZEFBKQQGCDMJS-FVSHYKRFSA-N 438.525 0.652 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779107278 PRSZXSJJSAMDTG-IOFJYKPDSA-N 447.492 0.474 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1779241783 ZYAYDNUFSBIRCK-FQEVSTJZSA-N 429.481 0.249 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779432205 SKJGQYLXGJJBCP-RADWXHQJSA-N 446.504 0.265 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1779471108 OLNRUZLVOWSOJA-XKDCRVNJSA-N 439.516 0.522 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1Cl 1780191952 MYEJZLAETGPCEU-OAQYLSRUSA-N 432.908 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2CCC3)C1 1781280201 QPAGOKNXDYHONC-TWEUYWRPSA-N 441.532 0.815 30 20 ICED O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782565187 CIXUYUTWODKPMG-SFRQHRMHSA-N 428.493 0.894 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783049813 USSNUOXPECPSDS-QHCPKHFHSA-N 448.564 0.686 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783189298 YGNNPGWCHGJNRO-KUHUBIRLSA-N 447.479 0.913 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557617 ITKXCGJPYWNLDI-DMPWYTOCSA-N 449.504 0.598 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)CCO2 1783565462 NBHZXNTYPLNWBT-FQEVSTJZSA-N 430.848 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1783737046 JROKWNWNENPUEU-AXKGWLQCSA-N 425.485 0.866 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)ccc1F 1784039321 LMWVKJPRZRDIKP-OPAMFIHVSA-N 428.464 0.596 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380026 MBVNODAIBYWFTE-JTSKRJEESA-N 438.488 0.695 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428761 KGLAQSWKWGJJEA-SFYKDHMMSA-N 441.484 0.222 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788565465 KWIUFKURGAFDNE-QZWWFDLISA-N 438.525 0.183 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1788576379 RXOBMOGARCOCHT-CQHOLOCUSA-N 434.533 0.883 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788631235 FQMWPNKTCOWOHH-JYJNAYRXSA-N 442.459 0.775 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1788632720 WVITXNJHRVCGPT-OTWYLLFQSA-N 443.544 0.500 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936142 VUWUHWVFZIXLSZ-LEOABGAYSA-N 445.582 0.560 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791107702 CMTVEHXBAPCQDA-QEOTZNIISA-N 436.509 0.250 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21)n1cnnn1 1791685189 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0.675 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c1 1799799059 BFQKSEGFLSNCFR-VTYHHJSWSA-N 426.517 0.792 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n2ccnc2n1 1799988223 GZHNGQXAWPSFOW-CYGHRXIMSA-N 427.505 0.814 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)C2 1800455891 WLCNVJAUEJEZHS-AJDBGRLRSA-N 448.523 0.623 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2)C(=O)C(=O)O 1801328012 HUYXLUSOBUUKAV-BCDXTJNWSA-N 426.473 0.672 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807115801 KZVQWHSXFUQKSS-ZIFCJYIRSA-N 428.537 0.500 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1808441149 UCWAZWCPCJRMRH-YLJYHZDGSA-N 442.520 0.437 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810326333 BICWAUCJHMTSBO-RXVVDRJESA-N 437.504 0.473 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811453028 XAWABJQPIFAXEJ-APWZRJJASA-N 437.504 0.766 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812671539 GUBUQSSFHYANFD-HOCLYGCPSA-N 438.431 0.842 30 20 ICED COCCOCCOCCOCC(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1812941624 RUMOTAPCSMEXOA-DENIHFKCSA-N 448.520 0.697 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@H]1c1cccnc1 1813039923 KTPRFQJZBYZTQU-GQAVTEOGSA-N 437.518 0.901 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1814435816 DQJGPPLMKDQZJN-IDTUSYRASA-N 428.497 0.100 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1815197331 MVKRAKUTCSJTHA-CZUORRHYSA-N 439.476 0.694 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1817318596 PZKNPRIWWVWPOJ-WMZOPIPTSA-N 447.540 0.334 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821470530 QSUPQJHYXAXHPZ-LLVKDONJSA-N 429.506 0.734 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1829630750 AAOCLGYYIHDFTN-OAQYLSRUSA-N 445.545 0.574 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccc(C)n3)CCO2)C1 1829718913 NRPDAAWZHUHBNH-PFTYNZSZSA-N 427.501 0.898 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064784 QEDFXSWEKUCKGC-JKSBSHDWSA-N 433.505 0.748 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218663 YOBRKEDYZHYSKZ-QFIPXVFZSA-N 435.521 0.769 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1831414485 WLBPNCSEACZHGZ-QFIPXVFZSA-N 433.505 0.647 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831426451 LVQCTCMZYCHDIT-YCRPNKLZSA-N 435.477 0.899 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831672778 MPFCJFPLLDKFTF-AWEZNQCLSA-N 437.543 0.554 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1832462680 UAYLAYPZXDMIKY-MRXNPFEDSA-N 439.456 0.041 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969162 DYRNUGYMLPRUEY-OAHLLOKOSA-N 445.520 0.951 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1scnc1C)CCO2 1834261310 BGLLCELWSNVAQO-BBIZLLLXSA-N 434.518 0.380 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587350 JCLHNMKFMZUGHK-XGVOGHQPSA-N 448.476 0.386 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441011 NWSKEHVELKSVMY-QUCCMNQESA-N 429.583 0.120 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657508 AESCZCMQNBFLSM-TUYSUELWSA-N 432.565 0.984 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835674258 HTPIQUBASTZFSH-XMMPIXPASA-N 438.528 0.776 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835681879 VDOMFUFIGUWYCU-ZJSXRUAMSA-N 448.608 0.977 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835756487 GCMJNDQMKKPMJN-HXUWFJFHSA-N 435.521 0.466 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)C1 1837147819 VNNWAFAKNSZESH-QHCPKHFHSA-N 425.485 0.966 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837314364 PPXSRUBDEVKZOU-XLIONFOSSA-N 428.551 0.646 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837402786 FEDVNYRDIGYUPU-AUSIDOKSSA-N 442.516 0.977 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441739 CDNJRTISXMINGO-ZZAWEDPDSA-N 446.552 0.753 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCC1 1837533242 MAWISBCTZSGWCW-DKQKECBASA-N 434.493 0.666 30 20 ICED N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837580084 WKKXPRFBVKNMIF-UHFFFAOYSA-N 428.493 0.542 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837633186 IDYSMQLKUIEOQR-JOCHJYFZSA-N 428.489 0.670 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837672539 NFRQKARMXYUAIE-CYFREDJKSA-N 441.528 0.799 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838619730 BXXAQYHWKCJZKZ-ADLMAVQZSA-N 439.925 1.000 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838761771 MXGWFTZCZHITED-INIZCTEOSA-N 430.387 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838829894 XRGZANKMGZHYII-IIBYNOLFSA-N 434.493 0.536 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C(C)C 1839225378 ICYCXYBZFXLRJV-MMOPVJDHSA-N 441.525 0.831 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839228072 RWOXTABAGHIQMI-LAUBAEHRSA-N 438.525 0.256 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839387929 AFXSEKNBERDIQQ-GCKMJXCFSA-N 441.525 0.498 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839887711 GQGMKDKWABOLRP-LJQANCHMSA-N 431.480 0.377 30 20 ICED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622509 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444.517 0.753 30 20 ICED C=CCNC(=O)c1ccc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 493058252 NEVRBHLVGPNYJX-UHFFFAOYSA-N 430.534 0.956 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1=O 494137551 RWZWIMFSBOTRLI-CQSZACIVSA-N 448.501 0.723 30 20 ICED COC(=O)C1(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCS(=O)(=O)CC1 501420789 IIWFRTIKQFEUAK-UHFFFAOYSA-N 440.421 0.976 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1 507329255 WMVLXRVADAZGRE-MSOLQXFVSA-N 437.518 0.838 30 20 ICED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)cc1 508993174 DWKFQHGKOXMJBK-UHFFFAOYSA-N 430.442 0.577 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510629004 PVBDQEQBTGQAFL-UHFFFAOYSA-N 432.515 0.084 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 512603328 WAYLJHXKSBZZGC-INIZCTEOSA-N 446.533 0.302 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 514711038 NTQBBOWMTGLQKG-UHFFFAOYSA-N 445.497 0.370 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1 522029516 SNGIQOXEBMQGOK-AWEZNQCLSA-N 438.410 0.271 30 20 ICED N#Cc1nccnc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 522627133 POZMBMCVZOTMKM-UHFFFAOYSA-N 434.865 0.843 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)n1 532994812 BESAUSGSYWQWPT-OAHLLOKOSA-N 444.496 0.869 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(OC)nc1 535897038 YBBLDRRMTWGAQX-UHFFFAOYSA-N 428.420 0.830 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 550653278 NUNJKKCSMSKRRZ-UHFFFAOYSA-N 441.469 0.627 30 20 ICED CNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 551111381 KTPIANWALDQXIT-IBGZPJMESA-N 433.468 0.451 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 553038444 CWTQBCNSYFLMEE-HOCLYGCPSA-N 442.563 0.355 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 570323502 ONVXPDMZJLNIIL-UHFFFAOYSA-N 427.442 0.527 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@@H]2CCCO2)c1 570651024 PVPFBLNUXMOZLJ-IBGZPJMESA-N 449.515 0.923 30 20 ICED Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 608868254 HKUOWELUNMACDY-UHFFFAOYSA-N 447.561 0.567 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccccn2)c1=O 618433458 BAUAFMKOBXUNPP-UHFFFAOYSA-N 436.468 0.918 30 20 ICED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 619859932 MTZBFEDOBHZQEW-KRWDZBQOSA-N 445.549 0.782 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3ccc(OC)cc23)CC1 670869319 XHYJTHISXQSLLW-UHFFFAOYSA-N 427.505 0.282 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 727511084 YGGMQMNUXZKECI-AWEZNQCLSA-N 434.430 0.628 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC1CCOCC1 728096165 VFEMLQAOKFRZCN-JOCHJYFZSA-N 427.457 0.990 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 729672707 CZALRBWGUWHJPE-UHFFFAOYSA-N 437.886 0.363 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 743890522 LFCBTWSBXRSXCQ-UHFFFAOYSA-N 443.435 0.856 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCCN3C(=O)c4ccncc4C3=O)C2=O)cc1 744219538 GTRWZEVFZXDEDV-QGZVFWFLSA-N 447.407 0.998 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)OC(C)(C)C)nn1 748890097 BYLVWOQYSOMQMX-ZDUSSCGKSA-N 449.489 0.902 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCS(=O)(=O)CC3CC3)CC2)cc1 765708197 KMCYYLAYAQSJCQ-UHFFFAOYSA-N 439.559 0.900 30 20 ICED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CCO2 769491986 HHWLCYYGMWELHI-GOSISDBHSA-N 429.454 0.691 30 20 ICED CN(C)c1ccc(N2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 771892810 VIFXYIIPSMDJRY-UHFFFAOYSA-N 434.522 0.085 30 20 ICED CCOC(=O)CON=C(C(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1cc[nH]n1 772148884 MTOISHLRVFZBKI-SFHVURJKSA-N 425.511 0.018 30 20 ICED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784415887 QSDVCYOOLGLWBE-BXDFRRGMSA-N 449.533 0.421 30 20 ICED CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCN(CC(F)(F)F)C1=O 784808521 YJFZIUFFXIAPHV-AWEZNQCLSA-N 449.393 0.758 30 20 ICED CS(=O)(=O)N1CCC[C@@H](COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 786489573 UYOOLOWCRWWOOJ-CQSZACIVSA-N 429.520 0.707 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)C[C@H](C)O1 787199792 SJECKDOTKCNMJC-HOTGVXAUSA-N 437.504 0.806 30 20 ICED N#CCn1cc(NC(=O)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 789809527 QEFQDGJYYUFKPB-INIZCTEOSA-N 442.451 0.318 30 20 ICED Cc1nn(-c2ccccc2)c(COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)c1C#N 803862904 YLHVKKDRPYASLK-UHFFFAOYSA-N 427.442 0.964 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273175 AJZVLHCTWGNCQK-LLVKDONJSA-N 439.488 0.645 30 20 ICED C/N=C(/NCCN1CCOCC1)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 849104952 GGWWOVLLEBTTNR-IBGZPJMESA-N 435.544 0.340 30 20 ICED N#CC1(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 912685711 VWERGDMPDOXPBA-UHFFFAOYSA-N 448.501 0.307 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 918317131 DYGTZRDOOUDHSX-UHFFFAOYSA-N 427.914 0.881 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288977844 RWJDQUCGTUFGEY-QMTMVMCOSA-N 435.554 0.641 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCOC1 1319401441 YZVBNYHZGZTRSB-HOTGVXAUSA-N 444.557 0.907 30 20 ICED CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 1330436601 MQJRISYTCAJNSB-CVEARBPZSA-N 433.490 0.256 30 20 ICED CC(=O)N1CCN(CCn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1359401269 NDMLPASOECYKBC-KRWDZBQOSA-N 427.484 0.977 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1460152201 RIKQSARDZVCAME-AWEZNQCLSA-N 433.515 0.967 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1516860168 NQGFQVOMZRUPFR-PMERELPUSA-N 430.534 0.880 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1554507082 IKXHMVCRCAJPNT-ZWKOTPCHSA-N 446.533 0.781 30 20 ICED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1620358388 NYOKFZUHRNNVBY-UHFFFAOYSA-N 429.525 0.926 30 20 ICED N#CC[C@@]1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1638968693 UNXVQMNUKFFWOO-HXUWFJFHSA-N 434.518 0.177 30 20 ICED N#CCc1ccccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1659545370 ROENPCPQRXNLPZ-UHFFFAOYSA-N 449.558 0.578 30 20 ICED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1707794973 QYKNIWBDDTZQRT-RHSMWYFYSA-N 448.553 0.691 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1731182369 SVEFWEAZIJBAMS-OAHLLOKOSA-N 428.518 0.953 30 20 ICED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749266807 LUNUQGIDROOAJH-CYBMUJFWSA-N 436.904 0.833 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)N(C)C 1760934249 YEUXFWBVUHGCQS-HNNXBMFYSA-N 447.569 0.670 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1761502559 PRYPJKCJCMKDEZ-YOEHRIQHSA-N 446.533 0.795 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779531001 VOPGMMQIMOBRRV-GSHUGGBRSA-N 433.553 0.473 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779691328 CQESZTDHABHIBH-SOIKWTOOSA-N 432.477 0.893 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020594 BYOYSIQFJQXNMG-LJQANCHMSA-N 435.431 0.986 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1780173728 BVGHVDKBPXDCKE-JOCHJYFZSA-N 442.472 0.853 30 20 ICED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1OC 1780383565 HVOVXOMUJSSMCN-XMSQKQJNSA-N 430.457 0.919 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1ccnn1 1781548069 PMIRUVWRCKCHSH-SBVLVFQFSA-N 448.524 0.882 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1)C(F)(F)F 1783207290 GLIWGLZPQDVMAQ-KRWDZBQOSA-N 430.383 0.661 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(N(C)C)c3)[C@H]2C1 1785550164 WJJUQVJQIDDUNP-ZQPXHLQISA-N 441.532 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)c(C)c3)[C@H]2C1 1786267770 IIGZQYKPGXVBPV-OIMABFAESA-N 442.516 0.850 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c(O)n1 1787119461 WPZRNDSJFRPMCF-SNRMKQJTSA-N 440.504 0.791 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787474784 PRUZAFQHHXQHDG-HTDHLNIYSA-N 431.537 0.732 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1ccnn1 1790643104 UPZXINPFSVSGDJ-CJCBUOBESA-N 448.487 0.881 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(-c4ccccc4)ns3)C[C@@H]21 1791076136 RXYJXJSNXUOPKK-JYJNAYRXSA-N 440.481 0.886 30 20 ICED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)nn1C 1793130826 FOWNUGYQGGJGID-FEJSZKPUSA-N 437.500 0.811 30 20 ICED 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)CC1)C2 1793341047 IPOCMYVVLCRGFO-FJIDUMEYSA-N 449.548 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)s1)C2 1793344543 CBXBDWSTJHBMLE-ZTENYAIWSA-N 434.514 0.705 30 20 ICED 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)COC 1793445188 YJDMONNFDVPDBZ-UYTYNIKBSA-N 437.537 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793562741 MFPWDTOLHHCFJV-NPJQDHAYSA-N 428.489 0.669 30 20 ICED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1F 1794363121 BBNRJJIYKGGPGQ-SCAQPMJSSA-N 433.484 0.714 30 20 ICED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780804 JBULHJKRLHDQFE-OPMZPASUSA-N 433.549 0.581 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)c(Cl)c1 1797810053 NDIBTGDRQRHUMY-QKSJRXBFSA-N 448.907 0.065 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810263 NLVHATZAOPQOBR-PZRQQCMLSA-N 438.525 0.267 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cscn1)NC(=O)OC(C)(C)C 1801244855 PAPWZJHAYRYRKO-CXHZTBPHSA-N 448.545 0.802 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1801285491 CGQKTDGGXVSJAD-MHXAIHSWSA-N 449.511 0.098 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803563400 SFKBWIHQQUEOFO-NOVWEMISSA-N 429.477 0.277 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)ccc1F 1808560674 LBGWLEPRAYBGNJ-HRAATJIYSA-N 437.479 0.824 30 20 ICED COC(=O)C12CC(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)(C1)C2 1812838840 TZRNMTQMDAEADO-XAJPSOLRSA-N 425.441 0.519 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)OC)[C@H]1c1cccnc1 1813264946 TUAOQIZTSYBDEX-WBJHSIEHSA-N 429.477 0.302 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)cc1 1829812195 FXWNMJCDJXUBHD-JTHBVZDNSA-N 439.468 0.884 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831393924 SDHZDXBBCQYUJX-NSXLHWASSA-N 441.528 0.196 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831396871 RZTKOPDTBCSAAI-VGSWGCGISA-N 441.488 0.146 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cc1O 1833401765 XKRZFYROLCXSEU-QFIPXVFZSA-N 439.472 0.310 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1F 1833460219 BYCNNXWXLITOKI-QFIPXVFZSA-N 447.511 0.881 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1ccc(O)nn1 1834069883 BLROEGNCEQCIHJ-XQNSMLJCSA-N 443.552 0.839 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)n1 1834241478 KEHHLDWCZDQWNT-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1834827457 NKHLEBSJAALKQJ-WMZHIEFXSA-N 430.501 0.950 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675291 MJTWRUOKMRCABR-AVRDEDQJSA-N 435.569 0.209 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1836683455 YHIHOQLGHZOKKB-HSZRJFAPSA-N 442.468 0.099 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cnn2c1 1836949392 KKKPHDGLTCEGEX-JOCHJYFZSA-N 449.471 0.621 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1837223113 VRWZWRJMFIAXES-RXVVDRJESA-N 432.477 0.544 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837241688 PPABAIQAGMMLSL-DIBYHMEASA-N 439.534 0.314 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559758 GSGPZOZLHSZFFF-RWTMDTCBSA-N 432.521 0.639 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632071 FNLLGDKBQDRUDQ-LJQANCHMSA-N 438.431 0.688 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837797478 OLAQCAJVUJKFND-UGSOOPFHSA-N 438.441 0.189 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CC1 1838733207 SYSPTQUHBSQCST-QFIPXVFZSA-N 429.521 0.688 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)Cc4ccccc4)C3)C2)c1 1838739876 AIZMFYPWQAZXQT-OFNKIYASSA-N 438.484 0.560 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)c1 1838740888 YZGPRHUSHXHZRE-OAQYLSRUSA-N 435.444 0.541 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1838905797 AEHOQVXHMWBJMJ-OAQYLSRUSA-N 439.428 0.143 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2C[C@H]2F)CCO3)c(C#N)c1 1839098503 YOTCMAMSJJCCBU-NNMXDRDESA-N 431.464 0.924 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnco4)C3)C2)c(C#N)c1 1839131611 NVYBURGNYSYTNG-JOCHJYFZSA-N 440.456 0.868 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c(O)c1OC 1839376710 NWRBYKCRUNAOLZ-NRFANRHFSA-N 433.461 0.783 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839389481 RPSKDFTXESIUIE-CNEDASOKSA-N 430.461 0.517 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1839453988 MYQRNUIWNQTTOW-QTDGGUCWSA-N 425.485 0.829 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1840043054 FKVVIMMLRBUGPE-QFIPXVFZSA-N 425.441 0.255 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840431619 MYYFWTFLPDKAQI-RNVZNFDCSA-N 443.504 0.688 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c1 1840478863 DKGPQZOFLJSZCP-IIBYNOLFSA-N 439.476 0.184 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840572578 HADUFNCZRDMHIJ-UZUQRXQVSA-N 426.517 0.945 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1842919544 IGPINFYTGOECTD-UHFFFAOYSA-N 447.561 0.725 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 409500055 JBPUBCHEHHRFRQ-OAHLLOKOSA-N 430.531 0.392 30 20 ICED Cn1c(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nc2c1c(O)nc(=O)n2C 428121693 XUHQCCLVQYPXMT-UHFFFAOYSA-N 437.439 1.196 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433894272 QTVRBQUJXSFANE-UHFFFAOYSA-N 426.470 0.535 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 439772711 GMAXGKVAZZOBGD-UHFFFAOYSA-N 430.856 0.734 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCOC1 441965274 XVLHBJUNIYOGLD-OAHLLOKOSA-N 431.489 0.351 30 20 ICED Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1S(N)(=O)=O 446721526 VGUKEPRZSSGYJI-CYBMUJFWSA-N 436.515 0.497 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 447325686 QRBUQLZDGNRMJG-IRXDYDNUSA-N 427.461 0.490 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471049301 WDGIDLWIVPIHIA-HNNXBMFYSA-N 441.488 0.260 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 480309625 LIZPEQRGMKJNNR-CYBMUJFWSA-N 436.515 0.913 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 489355792 JTKUDCRGZIPRHJ-LDLUVENISA-N 449.558 0.727 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 499679015 ROYNJAQOWOBBJP-MSOLQXFVSA-N 434.518 0.743 30 20 ICED Cn1c(CCC(=O)N(CC#N)CC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 503629550 CEUCFLJOQBTIIS-UHFFFAOYSA-N 430.490 0.403 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508486651 CNPZYJMFEDHEER-UHFFFAOYSA-N 440.508 0.092 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 508497309 KSVABCFNWVNXMF-GJZGRUSLSA-N 426.543 0.292 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 509381195 SKDBUIVGZCJRCO-BJJXKVORSA-N 437.474 0.178 30 20 ICED N#CCCn1cc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 512134983 CQXBOZVJHSMCQB-HNNXBMFYSA-N 433.446 0.915 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)c1C#N 514364488 BPWLHEIPCTXVNH-UHFFFAOYSA-N 434.522 0.919 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 523090252 RQVNLJNEXXUCLC-OAHLLOKOSA-N 445.541 0.609 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O 527279751 XDITUPJJLWCYRP-ZDUSSCGKSA-N 429.473 0.341 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n(CCC#N)n1 532998859 CLHRUBLQWHBCJU-UHFFFAOYSA-N 437.504 0.504 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1 538030733 RVJTWFDHZYSJCT-IRXDYDNUSA-N 443.552 0.923 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCOCC1 542073941 XIMFITSHUOCZRF-FQEVSTJZSA-N 430.440 0.021 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(S(=O)(=O)CC)CC2)c1 544651500 HPGJQVMBUTUOCD-UHFFFAOYSA-N 429.564 0.942 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC34CCS(=O)(=O)CC4)CC2)cc1 548519559 USAHUBRMMOQCPJ-QGZVFWFLSA-N 437.543 0.606 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCOC3)CC2)c1C#N 555453306 JXGAHBFKYDWJKV-INIZCTEOSA-N 441.540 0.693 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 557544762 ZVCAJGQEBXZFGO-UHFFFAOYSA-N 448.526 0.724 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 573370032 RFJPXZRQXYKEAF-HXUWFJFHSA-N 441.513 0.207 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 577374852 WDYPEFIHXYXASG-AWEZNQCLSA-N 425.555 0.917 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 587658445 ABMBOSYKNLPMNK-IRXDYDNUSA-N 428.537 0.654 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 608884308 DSXARKXPQFRZCP-UHFFFAOYSA-N 440.481 0.551 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1Cl 611538343 LWRUUGGPSHFYNI-UHFFFAOYSA-N 446.960 0.988 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 728530547 JQPWVZLZYWASDD-IBGZPJMESA-N 441.488 0.401 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c3ccccc3)c2=O)cn1 732561549 PEZCSTJQEHBPDB-HNNXBMFYSA-N 437.525 0.770 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)C)c2)c1=O 732797363 PHFOADSQXRRUSQ-HNNXBMFYSA-N 447.561 0.378 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 747742233 RGIBLRPFVJTNNU-UHFFFAOYSA-N 428.308 0.698 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCSC 751826788 HTLFMPFQGSPQDO-UHFFFAOYSA-N 435.575 0.145 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763434753 LOCMMOAMPDMWIC-UHFFFAOYSA-N 430.530 0.037 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(=O)(=O)c1ccccc1 767636466 JLMLUUHLBKKHTF-CQSZACIVSA-N 437.499 0.747 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@@H]1CCCO1 773798617 QHEPMOOOAVBPAG-MOPGFXCFSA-N 428.489 0.217 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 781911450 XZFIIQYAQPWJLP-CRAIPNDOSA-N 437.456 0.604 30 20 ICED CCOC(=O)NCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 785673456 AUAPAHPGNKDTLW-UHFFFAOYSA-N 431.405 0.744 30 20 ICED COC(=O)[C@@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(C#N)cc1 789121094 XASCKVKFEDDGFO-YWZLYKJASA-N 429.429 0.931 30 20 ICED N#CCn1cc(NC(=O)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 789809528 QEFQDGJYYUFKPB-MRXNPFEDSA-N 442.451 0.318 30 20 ICED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 802529963 KMYRLPRBQYSMOM-UHFFFAOYSA-N 437.504 0.734 30 20 ICED CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2C1 807367352 SFQQPAKRCWPNCC-UHFFFAOYSA-N 440.464 0.593 30 20 ICED N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 815415097 CTGDXKZNRTVABY-UHFFFAOYSA-N 436.446 0.665 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCOC 838289829 JANZOVJBDPBJFJ-UHFFFAOYSA-N 441.962 0.927 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CCOC)CC1 916200180 XLZNJMUXEZZNGU-UHFFFAOYSA-N 440.569 0.532 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C 918730005 NDFRVIUTWKECQT-UHFFFAOYSA-N 438.553 0.729 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 918816972 DVEGJRMPWUMCTR-UHFFFAOYSA-N 427.460 0.423 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1263375422 OSSWDKQLGHFAFM-CYBMUJFWSA-N 432.296 0.541 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300844648 QALYLGUMZGGEOC-ZDUSSCGKSA-N 434.298 0.794 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1316337230 QWXFALIQGROTPL-BEFAXECRSA-N 449.558 0.945 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 1317813597 NCRUUMHLAJFWBY-RWMBFGLXSA-N 425.488 0.207 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1318692122 REVYIWSYIRCYED-HNNXBMFYSA-N 428.532 0.364 30 20 ICED N#C[C@H](C(=O)c1nccn2c(Br)cnc12)C(=O)N1CCS(=O)(=O)CC1 1341803209 RRSRMHDDIYARJD-SECBINFHSA-N 426.252 0.071 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCC#N)Cc2ccccn2)c1 1543040885 OHPNXERSWDNZQL-UHFFFAOYSA-N 436.515 0.706 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCS(=O)(=O)C3CCOCC3)C2=O)cc1 1671576346 IRWFUNZWKGWSSV-SFHVURJKSA-N 434.518 0.947 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1711425760 YBHMZBFXBWWKCY-SFHVURJKSA-N 433.469 0.720 30 20 ICED COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1711915277 CDBRJZOLIAIOIR-KRWDZBQOSA-N 445.549 0.679 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@@H]1C 1761478177 GWNQHMSAKBJJHR-HOTGVXAUSA-N 439.586 0.739 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778006954 VXUHFUSSKCLVDM-QVKFZJNVSA-N 446.508 0.297 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474403 KMJAKIMNOFJPKD-OAQYLSRUSA-N 425.493 0.455 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1778760391 UMMSUHYWWCGHPQ-OPAMFIHVSA-N 449.504 0.455 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1779337264 PIVHMVOGAGURMT-JXXFODFXSA-N 430.567 0.508 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1ccnn1 1779429055 TXZYWAVQDWSAIO-NFYDZCJNSA-N 448.524 0.882 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc[n+]([O-])cc1 1779944046 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COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783679445 JFFPSPFBHYIBEH-NRFANRHFSA-N 441.525 0.062 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C[C@@H]21 1784483766 LNENEXLOOJBDMN-QQDKQVRDSA-N 425.485 0.813 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1785366499 IDGYZRVUKAQWEZ-QFIPXVFZSA-N 427.505 0.811 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785378831 SHNRNKFXTWGCIM-OAQYLSRUSA-N 425.445 0.701 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788473939 QNRBNRKPFOCIGX-LSTDLKDCSA-N 430.461 0.216 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)n1 1788678872 UWNOLAFLYUTSQD-MXFMJEEJSA-N 429.481 0.011 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccc1C(F)(F)F 1791075668 KOMPEUHROFZDTB-OBJOEFQTSA-N 427.379 0.725 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791440163 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0.092 30 20 ICED NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798468074 DYLXKIMEJMMLAX-MUJYYYPQSA-N 425.489 0.526 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799304221 YZJMSDNPCXJEPT-RMFSNUHRSA-N 432.517 0.784 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1799394315 FCDFYVHCIJKBGO-PNBKFKSVSA-N 433.509 0.929 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745113 RBRJVWHSEKWBTC-LJGDNWOOSA-N 437.493 0.581 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779148 VMQBZTJZTHBRCQ-KRXQYRFLSA-N 435.477 0.064 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)ccn2C)[C@H]1c1cccnc1 1802488755 ZSBJNBFNNRDSTQ-KGPYNAKISA-N 449.511 0.958 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1808426454 KYSXRHIJAYHJKE-PXNSSMCTSA-N 445.520 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808439948 CYMIGNONWMHBMY-UWVAXJGDSA-N 445.520 0.190 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810246204 UMEQUBFJAUWFBE-UIBIWLFHSA-N 443.504 0.259 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1812877483 MGNBXPJTDJYIQB-FOIQADDNSA-N 436.424 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813316291 NAJVWRPOTZLORR-WTVRISBWSA-N 437.504 0.628 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815063788 JEUANTPIDULMKA-UONOGXRCSA-N 426.502 0.833 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1822030279 STYFIPZIQINHCM-MGPUTAFESA-N 441.513 0.891 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530089 VEWPBTYZRLCIBB-HUUCEWRRSA-N 429.477 0.900 30 20 ICED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC2CC2)CC3)c(=O)nc1O 1827990125 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1836353416 QRTLNKUWJGDXHU-IBGZPJMESA-N 430.852 0.714 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837524903 PABBKVJUBNMWAE-NGPKUFNOSA-N 432.477 0.681 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530929 UKGXSBICHLEWML-CGXUKVIWSA-N 439.509 0.587 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838236784 PGDGELRIZADHIC-UHFFFAOYSA-N 439.472 0.738 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1838518390 HQERUQICRGRRBV-OAQYLSRUSA-N 427.461 0.745 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598144 SFDIIMGOFAFGPI-JLTOFOAXSA-N 434.880 0.416 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361768 CNNSAYJLMGWIKD-PGRDOPGGSA-N 443.504 0.270 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1839420349 DEESKQITQMPVCA-FQEVSTJZSA-N 428.424 0.059 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839647906 GMFLSJYTIWPNTK-UPMCQBDUSA-N 426.473 0.668 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811740 MFTIDNKRTFKQJI-OVCNXMPXSA-N 447.532 0.864 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103445 BMXAUJVEHXYDOU-AZUAARDMSA-N 427.567 0.410 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916097 PWKWBNNWRPMREP-OIMFZILRSA-N 447.532 0.864 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)cc1C#N 1846877920 JBYWBVYOLMBWLI-KRWDZBQOSA-N 427.505 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COc2ccc(C(=O)OC)cc2)C1 1847147528 XKBUNQRJWLAJEV-KTKRTIGZSA-N 441.484 0.914 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCO1 409558207 OGYLREHIHABIKC-HNNXBMFYSA-N 432.499 0.038 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 410390242 HSJCKFQXOKBMAQ-JTQLQIEISA-N 426.446 0.538 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)c1 430538672 CLOBPGAYRHAOGT-MOPGFXCFSA-N 438.532 0.899 30 20 ICED COCCn1ccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 444496713 KXBYOTPZDKHVHZ-UHFFFAOYSA-N 439.432 0.936 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 460653496 FXKBAEAUTCEVKJ-KDOFPFPSSA-N 439.563 0.891 30 20 ICED N#Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)cc1 461729710 QVJFCGDMWBOIQX-OAHLLOKOSA-N 440.481 0.848 30 20 ICED N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)N1Cc1ccccc1 463961725 BWDDFEYXQKGVIN-NCYKPQTJSA-N 437.500 0.522 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472105896 KFLRAIOQFCTPOJ-UHFFFAOYSA-N 445.549 0.719 30 20 ICED N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(Cl)c1 513626194 VNLKZRVKFGTCIA-UHFFFAOYSA-N 441.922 0.765 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1=O 516606441 KKORWMLPJOQFIA-UHFFFAOYSA-N 441.513 0.527 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOCC 523476421 PMIJJOCJOSYSRG-UHFFFAOYSA-N 443.525 0.762 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(CC(N)=O)c1=O 527030332 FJSWXTGGIZKVJQ-UHFFFAOYSA-N 439.472 0.698 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533351888 XHOYFNCQDUAEHP-AWEZNQCLSA-N 437.522 0.416 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 549665302 IXVFVKGBJBICKO-MRXNPFEDSA-N 442.586 0.869 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 557372235 ZWRSQHAEWCCYIT-AEFFLSMTSA-N 426.521 0.801 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1=O 558650391 FFUDXAIEDJIBSI-UHFFFAOYSA-N 437.456 0.829 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)c1C#N 561866659 IMFUHHUIWMCGNJ-UHFFFAOYSA-N 433.476 0.146 30 20 ICED CNCCCc1[nH]nc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N 576332065 DEBOFLHTJLRPSP-UHFFFAOYSA-N 447.521 0.699 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 579269351 MQYQOBOWPQKTJP-OAQYLSRUSA-N 441.576 0.695 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 580913230 CTXMDAXBYCJDOC-MSOLQXFVSA-N 440.500 0.966 30 20 ICED CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581033890 UBSPZQVDSOFKRG-SJLPKXTDSA-N 425.489 0.687 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc2cccnc12 584076366 VXSKRNKHQLIBNN-UHFFFAOYSA-N 433.493 0.033 30 20 ICED CN(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1cccs1 589455142 CBLMLKLQHYKBGK-UHFFFAOYSA-N 442.544 0.335 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 609340534 AJSVZEJBBGRSIK-FQEVSTJZSA-N 439.516 0.897 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 609952979 RAZJAUJYNPPBOJ-UHFFFAOYSA-N 427.552 0.137 30 20 ICED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(C)c1 732909160 ZTOTUQKPFNXUEB-DLBZAZTESA-N 431.514 0.931 30 20 ICED C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 746045760 JQMGCGMKNNQVBY-SAZKUCFMSA-N 435.550 0.896 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccc(C#N)c2)s1 748292622 OEKGHDXPYCMTAF-UHFFFAOYSA-N 435.483 0.960 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 750212954 KVAOWHMIPOLADE-JTQLQIEISA-N 437.396 0.927 30 20 ICED COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 750815024 MWNCMAAEYXPXTG-OAHLLOKOSA-N 427.454 0.521 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 755556166 YFYQKEOUHYUNFM-JSGCOSHPSA-N 426.437 0.476 30 20 ICED C#CCOCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 756304223 GKDTYVXFHJQBQC-UHFFFAOYSA-N 440.474 0.238 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 758059642 RAZDQVHWRDUZIM-UHFFFAOYSA-N 439.493 0.374 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758078470 MTXPEEJDMQHOAF-UHFFFAOYSA-N 440.481 0.497 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 761036386 DQBWLLCNMFLQDA-UHFFFAOYSA-N 434.543 0.434 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N=C1C[C@H](C)ON1)c(=O)n2Cc1ccccc1 763257580 CWUCNQGWAHLPMK-AWEZNQCLSA-N 440.460 0.293 30 20 ICED Cc1nc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 784739892 CELVNXPXKPPPLM-LFVJCYFKSA-N 433.494 0.223 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 788769785 QZLZPRYIIJTPTP-UHFFFAOYSA-N 436.518 0.967 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ncnn1C 789612738 FQOMQHARJATWFB-AKVJFXEFSA-N 433.494 0.444 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2)cc1 793204783 LFYGVIDEMBSAHR-UHFFFAOYSA-N 441.531 0.846 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCOC)C1=O 798584321 NVXDTARQZHRRFL-JTSKRJEESA-N 427.457 0.942 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 915046203 RIAMLSJYTJYYFS-UHFFFAOYSA-N 428.536 0.046 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 918480098 GTDOJISXVPLDRY-KRWDZBQOSA-N 425.445 0.952 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 921167430 KWMDTDWBHZEBFK-UHFFFAOYSA-N 428.518 0.188 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)C[C@H](C)O1 1136206970 VIODPXIRJHJELE-STQMWFEESA-N 428.461 0.948 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1245974073 SPNDNBHAZPGURL-RBUKOAKNSA-N 442.568 0.365 30 20 ICED CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1298005160 MLMQXXIXQUDLRU-MRXNPFEDSA-N 425.497 0.269 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1299074084 KZZXAFSQQDCWCD-INIZCTEOSA-N 431.522 0.328 30 20 ICED CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1313960535 JTKXLPMTQNCFJG-GOSISDBHSA-N 430.557 0.157 30 20 ICED C=CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1318326971 LOJAQBMGLZFTGM-GOSISDBHSA-N 443.591 0.535 30 20 ICED N#Cc1c(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)sc2c1CCC2 1616498064 UDXXFFDKQMZZGM-CVEARBPZSA-N 438.575 0.213 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)CCO1 1620357423 WJKKXPSLUVRSPY-KRWDZBQOSA-N 439.476 0.042 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCS(C)(=O)=O 1693751378 XBPYPOCRRLJYNT-CQSZACIVSA-N 430.538 0.652 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1761500643 MMGHBIOOZDRRNU-SZMVWBNQSA-N 447.565 0.920 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2Cc3ccccc3CN2)C1 1777986265 MIOXCRYTPKMDER-YCRNBWNJSA-N 425.485 0.303 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779064512 BVEAAYQVWRTYQA-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779428551 OCAKZGLHGKXVEZ-JNSLRZONSA-N 448.524 0.711 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969660 KHNFNCMSRWSYQF-FQEVSTJZSA-N 433.896 0.926 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783153568 SCBTUDYYBGTMSL-QVKFZJNVSA-N 438.525 0.551 30 20 ICED COc1ccc2c(CC(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c[nH]c2c1 1783557573 IERSQSBMSNTJRG-QFIPXVFZSA-N 425.441 0.637 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1784037251 CHCKASOLIRCBCY-KSFYIVLOSA-N 426.473 0.537 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1784597943 HPZWSUWHYRYKPH-JLTOFOAXSA-N 425.449 0.258 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375567 DIZKDHOEEGPDEX-QHCPKHFHSA-N 442.516 0.929 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)CC1 1786559986 FNWGEPZPFHLYOD-VABKMULXSA-N 438.572 0.655 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)o1 1787031939 XREDHPCBRZTNFR-LNLFQRSKSA-N 439.472 0.851 30 20 ICED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652848 OCOJZJDZGFHPRB-QFCUHJEHSA-N 438.525 0.364 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678558 IKTWOBFHVRQFNG-GEYUMRBSSA-N 435.550 0.162 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790145126 IMSPCKXXUSDXIM-KGYLXKDPSA-N 443.500 0.962 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C[C@H]3CCOC3)NC(=O)OC(C)(C)C)C[C@@H]21 1790791633 KTYNPTJYJLZEPH-SPOLIRPYSA-N 449.548 0.919 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1792337785 DCSNQLOYTOMLQM-KKUMJFAQSA-N 435.477 0.111 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1793351060 CURAFYHUIPMYBW-RMFSNUHRSA-N 446.548 0.859 30 20 ICED CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794470721 ZKBYJNUXYJEKRB-YGIWGEJLSA-N 445.520 0.880 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)c(O)n1 1795503226 BFROAYFXFLXRRM-FVCICTRLSA-N 433.534 0.736 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1795581679 GUHXLRWYQGLSFH-XMTFNYHQSA-N 436.553 0.784 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccc(Cl)cc2nn1 1796247068 XQFWBPPBGXFKCD-DBWKPXFBSA-N 428.832 0.574 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797713428 NEMATSZUVCKJAA-UKBAYJJMSA-N 427.501 0.706 30 20 ICED O=C(COc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798469856 ZWKXYVWPTUAXKT-BJWYYQGGSA-N 428.489 0.898 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)cc1 1799642401 SPLCTJSMDRZFPT-BCDXTJNWSA-N 431.456 0.707 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccc3)CC1)C2 1800775018 UXZRGSGLQWWDHE-OPMZPASUSA-N 425.485 0.581 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992059 VJEPELFLCADQGC-RACNMONISA-N 426.473 0.217 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1801994506 NTDGGBKPUPUIRF-RACNMONISA-N 426.473 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1802499865 VOVAEWXDIVHELW-TWEUYWRPSA-N 436.516 0.922 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803502378 KDYBXKOWEXZXKI-MOXGXCLJSA-N 432.546 0.829 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1803605600 ZBNNSQPKVYGTQF-WBAXXEDZSA-N 433.534 0.594 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)CC1 1806078779 CSSDUGPMMYGSCW-CRAIPNDOSA-N 433.472 0.645 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810359600 ZMJHVNUDSFBAAG-HUNSTRKKSA-N 428.445 0.704 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNC(=N)N)[C@@H]3c3cccnc3)c2c1 1812070104 XJUVPJSWPBJYNY-FOIQADDNSA-N 445.487 0.632 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@@H]1c1cccnc1 1813042751 BWOYEYWLGZKPNP-AZFSHXRASA-N 444.561 0.876 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1813044965 GFFYRAUTTDTCFS-OXQOHEQNSA-N 433.472 0.936 30 20 ICED CN[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)C(=O)O 1817315255 KADBCAPHMWTAFJ-CABCVRRESA-N 433.513 0.746 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819848089 DWGZUXPJOHLURD-YCPHGPKFSA-N 432.546 0.477 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1 1821091756 GHUFLHJJLNUXEI-ISALQUGTSA-N 428.474 0.723 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1821661178 KQCIQMZMJOHFSM-BBRMVZONSA-N 438.444 0.703 30 20 ICED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976675 MAQSBISXKIVIJP-DOTOQJQBSA-N 431.624 0.655 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCN2C(=O)OCc1ccccc1 1828669067 AXKHDBFUIRKLRR-QFIPXVFZSA-N 436.472 0.514 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 1829763949 GKTSNGCLSUDFJS-KOIKXXGWSA-N 428.489 0.318 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)cc1 1829826454 WORMXGYORINJKI-SIKLNZKXSA-N 425.441 0.955 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)c1ccccc1 1831143452 LZWQXYQGADMNIS-QHCPKHFHSA-N 440.500 0.519 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1831397276 WQPUKXJEOUEFAU-KSFYIVLOSA-N 432.521 0.816 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3C[C@@H]3F)CCO4)c2c1 1832128501 KUZYENPOWDYHTI-IVZHQMGZSA-N 427.436 0.863 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143480 MXEMAVBAKAEYFQ-UHFFFAOYSA-N 437.585 0.812 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1833475301 MNHQDMXEBGTECC-OAHLLOKOSA-N 433.557 0.482 30 20 ICED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1)C(=O)O 1833490038 CQAAYSASKKFUPL-AEFFLSMTSA-N 428.599 0.575 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1=O 1835096133 QRLGQVUNIJSUNW-XMMPIXPASA-N 435.480 0.507 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102740 WSEGGXOTXJRIPY-CVDCTZTESA-N 425.485 0.115 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C)cc3)CCO2)C1 1835158380 XQJOCCDRURXPGJ-WMZHIEFXSA-N 430.501 0.869 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298705 PSVKSSJSLJMGFL-VOJNIELOSA-N 444.532 0.648 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1835675246 ZTYIDPFCKXFWSA-QHCPKHFHSA-N 443.548 0.752 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835705475 HYLZIFFICCNDNJ-SIKLNZKXSA-N 446.504 0.047 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1836862776 XXZOTXNJGGMCBW-OPAMFIHVSA-N 438.521 0.639 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2)C(F)(F)F 1836894411 RULDXTSKWPFHDH-GOSISDBHSA-N 439.394 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836958690 REQXPPCPRUHBKC-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837287203 ORNPEDKPTKIIEU-UVLLPENVSA-N 427.505 0.297 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1837391708 UHQQXGDTGFTSEC-BFUOFWGJSA-N 439.538 0.223 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1837395133 QGWAGACBFPBVQL-JTSKRJEESA-N 448.520 0.518 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837559824 AEAVCJZTHPYJKF-RJGDLVSHSA-N 431.445 0.482 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)CCC1 1838513495 UYBTWEDGQYXECS-HXUWFJFHSA-N 442.501 0.850 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838584894 MIDYQJPURYIUKU-SBUREZEXSA-N 444.532 0.977 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc(Cl)cn4)C3)C2)c1 1838731976 DXLBOIBVEGMVON-IBGZPJMESA-N 430.852 0.714 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(C(F)F)n1 1838736197 PRBOJXWJNDSCEG-HXUWFJFHSA-N 448.430 0.941 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838737346 QAGHCEYIUNSSPD-NRFANRHFSA-N 435.444 0.313 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905712 UUDZYBJLFHIHLZ-JOCHJYFZSA-N 428.489 0.543 30 20 ICED CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908009 CGASMYXEMHPAEH-NRFANRHFSA-N 445.545 0.112 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951101 YKBXZOFVMHDZKG-UWJYYQICSA-N 429.477 0.075 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349125 FIMKYFUDTGXKFC-KSFYIVLOSA-N 431.489 0.447 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 1839806405 OFSMPQMIXKUTIN-ZJSXRUAMSA-N 425.529 0.988 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)C2)C1 1839810704 MMTFXMWWASBHOW-VGOFRKELSA-N 435.521 0.769 30 20 ICED NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839861282 NTLLDNDUGKWIIK-NRFANRHFSA-N 433.892 0.413 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1839889480 WTENQEXAXYTDEE-CRAIPNDOSA-N 427.452 0.582 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1)C(F)(F)F 1839892796 HCKIBGWWDQLJTH-SUMWQHHRSA-N 436.431 0.269 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c1 1840466271 WBBNRHGUZTWBFF-HSZRJFAPSA-N 437.500 0.913 30 20 ICED COc1cc(Cl)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840743470 XIPXWZVSLCSIJF-HXUWFJFHSA-N 436.848 0.507 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816088 OMENVULYEUXUKN-VGOFRKELSA-N 428.489 0.999 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816525 YMWBQGHMOUCYDF-JTSKRJEESA-N 428.489 0.999 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C(/C)C(=O)O)CCO3)C2)c1 1840837949 KXPHXQGWTDFCIM-AELLWPAVSA-N 443.456 0.668 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1841298417 LEYOFQHKUBVWIO-CPHRPENTSA-N 434.493 0.788 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1841607010 NYHBHHHSPLUDKI-LMMKCTJWSA-N 429.517 0.960 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1844159092 JEZAFFHEEQLJSF-GOSISDBHSA-N 430.461 0.377 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] 65221155 IQVXULSLWXALLK-UHFFFAOYSA-N 441.448 0.624 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccccc2Br)n1 429778808 HAGNWBNWHCYWLY-CYBMUJFWSA-N 434.294 1.465 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)n1 429781512 CMIQBMDAGUCAGH-AWEZNQCLSA-N 434.294 1.465 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 430411271 DUDLHGAMHXRSDF-ZWKOTPCHSA-N 442.582 0.349 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCOC1 441939325 ZWCQKVRAYYKJSQ-AWEZNQCLSA-N 433.555 0.582 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3nnnn3CCN(C)C)CC2)cc1 444409251 WILFCHGCKYQSFO-SFHVURJKSA-N 444.565 0.744 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)ns2)CC1 460944902 IQPYNLYZZRHLLB-GFCCVEGCSA-N 426.572 0.951 30 20 ICED N#Cc1ccc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)cc1 461731510 VNXALKABYGYQKG-UHFFFAOYSA-N 440.481 0.582 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 471811594 SCCFGYBITBRLTO-SJORKVTESA-N 433.534 0.240 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 473992912 RLTPKXZKIKDZET-UHFFFAOYSA-N 436.494 0.442 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)n2)c1=O 477441557 DUEKBNJPELMJKD-UHFFFAOYSA-N 426.498 0.251 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 478303257 BZJIPFHGIVZOFT-QGZVFWFLSA-N 449.577 0.739 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 500018133 WGCOGLMHVIMXQV-GOSISDBHSA-N 438.525 0.377 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3CC)c2=O)cn1 512746222 DKULXFITMNMCRV-UHFFFAOYSA-N 439.545 0.607 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cc1 517837313 JKULMMBFWHHUBM-UHFFFAOYSA-N 441.532 0.720 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2)c1=O 523476826 PTJYHKKYFUERQB-CQSZACIVSA-N 433.505 0.740 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCCO1 536085639 MGAWKRZXBJASFX-KRWDZBQOSA-N 445.516 0.884 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 544337801 ZGTVXRPQILYLHD-ZDUSSCGKSA-N 446.485 0.988 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CC1 550295186 UAUYHOTYFNCBMH-UHFFFAOYSA-N 448.531 0.065 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 554979337 UPRHFUDSBHGMLH-UHFFFAOYSA-N 448.467 0.988 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 555249462 NZSWWUPVBOXZIK-CVEARBPZSA-N 441.602 0.501 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 556197853 FXDZLCHNKLVXJR-KRWDZBQOSA-N 443.591 0.732 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2cccnn2)CC1 562904418 DQRVKEKWJPUWJY-INIZCTEOSA-N 448.553 0.304 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 569037755 KWALDTSJHNUJMR-HXUWFJFHSA-N 441.513 0.207 30 20 ICED CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 580913233 CTXMDAXBYCJDOC-ZWKOTPCHSA-N 440.500 0.966 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)CC1 588128912 RXCCDHFJHRZFGJ-UHFFFAOYSA-N 425.533 0.784 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 589437766 DHVWRXARULRWHW-UHFFFAOYSA-N 448.530 0.519 30 20 ICED CS(=O)(=O)c1ccc(F)c(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 589513004 WWZWRWFXQKLFNS-UHFFFAOYSA-N 425.463 0.696 30 20 ICED COCCN(CCOC)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589523736 HOMDNPOHTRCAOG-UHFFFAOYSA-N 438.550 0.422 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1F 669652223 ZPXDIKGHDZLZAU-UHFFFAOYSA-N 431.489 0.874 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 727009893 DJQGIBJRJXIBTB-UHFFFAOYSA-N 426.473 0.692 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cnc21 727223075 NRKKPEWXHRDCBG-MRXNPFEDSA-N 437.254 0.244 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)CC1 728530424 DMLRQIXLJSYSFF-QGZVFWFLSA-N 443.573 0.692 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCCNc2ccc(C#N)cn2)c1 730023172 MURJCRIMLKLCGQ-ZDUSSCGKSA-N 445.505 0.600 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 732466059 KJBXECZIRDURAZ-VXPUYCOJSA-N 429.452 0.748 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCCSC)c2=O)cn1 732562929 OYENMDDFKIIBIS-AWEZNQCLSA-N 449.602 0.533 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734435097 YQAISKSFHXVJLL-DENIHFKCSA-N 426.517 0.498 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC2(O)CCCC2)CC1 740984275 PCLOXAHNCOVMLS-UHFFFAOYSA-N 435.502 0.630 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 749666400 JLYGFHFEAJUIEJ-UHFFFAOYSA-N 435.475 0.950 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3nc[nH]n3)CC2)CC1 751500144 OWKBXYMCMIZEKR-UHFFFAOYSA-N 443.533 0.389 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccn(C)c2)c1=O 763433917 GMXCANMSSKVAIZ-HNNXBMFYSA-N 432.546 0.329 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637809 VGBUYBBCZYMJIK-UHFFFAOYSA-N 431.562 0.615 30 20 ICED Cc1ccc(Cn2nc(C)c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2C)cc1 771898563 ZXTJVWULMCYURL-UHFFFAOYSA-N 444.517 0.566 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)c1cc[nH]n1 772207473 SGVWTBARGBGDIJ-UHFFFAOYSA-N 448.524 0.287 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 783463800 GTBOOKDGOIPZGF-UHFFFAOYSA-N 436.472 0.617 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 784833087 FZEJTCOZTHUYMG-LLVKDONJSA-N 440.434 0.685 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)c2)C[C@H](C)O1 793211816 FWFSBKXHZJHLKI-KBPBESRZSA-N 441.531 0.848 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC 838265654 ZUOSOBSKMKYICE-UHFFFAOYSA-N 437.525 0.771 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)o1 915389261 SMCULIAVQLOUFK-WCQYABFASA-N 443.382 0.504 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 918636184 JXJDCOJPZMVIIL-UHFFFAOYSA-N 442.453 0.320 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C(=O)NC)c2ccccc2)cc1 919048629 QDIKHCZCUOPPAZ-IBGZPJMESA-N 443.481 0.358 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 919757770 YCKVPOZCSJBJON-GFCCVEGCSA-N 436.515 0.511 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1301800081 SRBQRWVXUYYPBP-UHFFFAOYSA-N 433.513 0.163 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOCC1 1303823102 JRPGQANKOKQSIH-HNNXBMFYSA-N 425.559 0.351 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314133475 JDFSTXDXYJXXQW-HTAPYJJXSA-N 445.568 0.879 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CO[C@@H]2CCOC2)CC1 1318910667 ONWIZGLQKKXHHI-CQSZACIVSA-N 430.417 0.804 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(c2ccncn2)C1 1471308075 IXRJCOCVUNJQHV-INIZCTEOSA-N 428.518 0.935 30 20 ICED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1517427178 WSBRKUVXCNIGKM-UHFFFAOYSA-N 427.494 0.075 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CC(=O)N(C)C 1726642880 JZRVAJXDNIYWFK-HNNXBMFYSA-N 434.508 0.749 30 20 ICED CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728724538 KYHQXDYWZGRWNR-GDBMZVCRSA-N 439.586 0.880 30 20 ICED CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1767695563 IRVDHAOTIMIZIP-AZGBBHLQSA-N 427.502 0.552 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1779106307 SBNSVFZONZQMKW-RETMYHCQSA-N 447.492 0.848 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3C(=O)OCc3ccccc3)C2)C1 1783646933 ONOSTIHTXLRPOV-LEDOBFOHSA-N 441.484 0.222 30 20 ICED 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)C1 1784344419 ASTUXOWRWLSIQY-ULQDDVLXSA-N 447.488 0.231 30 20 ICED 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 1784478625 CHJOXLYMDSRKRU-PDWMJMLSSA-N 449.529 0.117 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]3C2)CC1 1784536585 ZPGKMHLFECMGHM-JPLJXNOCSA-N 440.610 0.085 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784930615 LSVPRYWCWNGRAE-JOCHJYFZSA-N 429.473 0.738 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21)C(F)(F)F 1790884901 ZHBLXNXMJONJAP-IHRRRGAJSA-N 444.410 0.356 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1792146983 FQHPYRYQZUHPHP-ZJOUEHCJSA-N 436.468 0.864 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1792147040 DEEFIOZYRJIJMT-KNBMTAEXSA-N 440.456 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ccccn13)C2 1792489265 LWWILVGTRMYXNJ-KAXDBTLWSA-N 437.500 0.704 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793259286 UMRSHGWDZSVYLT-DMUMMCEESA-N 447.532 0.625 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1793354836 UFDLQRCCLRBUGH-HQMXNFIDSA-N 433.549 0.958 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1793822180 FTAGXUSKDUEWLI-HGKCTWBKSA-N 434.562 0.796 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794226201 CXXHGPOEXQGLSI-BCDXTJNWSA-N 428.489 0.959 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1797644932 KBPDSHMBDLFKNO-DMUMMCEESA-N 439.578 0.075 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1797784812 OOHCQURNOSJRLK-CCWDJLKJSA-N 430.461 0.825 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)C2 1800454845 IXPWGRVBNAOKLS-NZGUISNBSA-N 445.541 0.371 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991919 JECNKDDIVCKELT-YDGKCNFYSA-N 442.516 0.831 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1803550381 NAVQFWGONQIIHW-ALKREAHSSA-N 436.472 0.328 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnn2c1 1812879605 CJMCZKWNNRWKLI-JXFKEZNVSA-N 432.440 0.840 30 20 ICED C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2)n1cnnn1 1826979326 STFXECKKSRGWDO-RDFRODCOSA-N 431.526 0.775 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1829260525 RZOVZAFXNMEKQW-HTAPYJJXSA-N 440.456 0.180 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C1(O)CCC1 1829733435 NZRJPAZGZFDCQZ-UTKZUKDTSA-N 436.553 0.276 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3)C2)C1 1829760272 ZINCHUCRYQNPFJ-QEVIJRNUSA-N 448.907 0.663 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)C1 1830707606 SFTVPXNDMNHXLU-BIZBXSGISA-N 442.578 0.987 30 20 ICED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831039911 WLRWBJLYOIISLN-NRFANRHFSA-N 443.460 0.123 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1831392503 FCJCUUMSDXOBRM-NJNPRVFISA-N 430.505 0.377 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1831392925 IGTIOLFLXYEJTM-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3Cl)C2)C1 1831394281 ZWIWOQAQBWNCOG-XOBRGWDASA-N 438.912 0.734 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1831425227 RVPGBUYIKPCQJM-QMHWCDLVSA-N 431.533 0.776 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831490925 PHTNDHSUCHECMB-AUUYWEPGSA-N 434.522 0.149 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1832457443 PQQXKJWBKLUFNN-IBGZPJMESA-N 436.490 0.164 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832804494 RQBPCMMFXNOBKI-FQEVSTJZSA-N 433.465 0.441 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832938716 VQTWAMUKZFLSTJ-NRFANRHFSA-N 432.525 0.081 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833476794 CGOIQNBSSJHIBE-INIZCTEOSA-N 432.521 0.074 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833617116 AZPFVVLYXNKZSU-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1C)CCO2 1833941630 FTQMKXMETSJPTQ-OLEQZPESSA-N 433.530 0.985 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835115076 UHOHUWPVMAXIMF-TYNCELHUSA-N 441.623 0.679 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ccncc34)CC2)CC1 1835405077 GBZXKYYYVFIQMA-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1836856158 SKUJUSBMLCBLTM-SJORKVTESA-N 442.578 0.704 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837312034 RPDZKIQUYSMCQU-VGSWGCGISA-N 431.489 0.136 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837374903 KGVBDKBOFSMNCL-UWJYYQICSA-N 440.541 0.133 30 20 ICED CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCO1 1837489893 XQSWIOVWFGCZLQ-QHCPKHFHSA-N 432.517 0.836 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838301056 MMJJBKMDLPQSEE-UHFFFAOYSA-N 432.565 0.563 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404192 BIAQMTPVCZOBLX-HSZRJFAPSA-N 435.565 0.829 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734885 OOGQHLXEEAEEII-AOMKIAJQSA-N 438.488 0.852 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907412 ROHWMHWVIIMMTH-VGSWGCGISA-N 438.488 0.556 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c(Cl)c1 1839079403 PRRUKPJMFKFYMF-UQASEVPWSA-N 448.907 0.004 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1839228889 RPMNLVWWHNHXDH-WAOWUJCRSA-N 435.525 0.777 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1839453936 KDNMNQPSKRESCE-HRAATJIYSA-N 439.476 0.184 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1839559225 VFAPEVZPRPGBKC-LJQANCHMSA-N 447.289 0.800 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN(CC)CC)CCO2)C1 1839678367 VJEHZIOIAOKSGE-SELNLUPBSA-N 439.597 0.994 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839872306 GDBSSGCRKHHXHX-PGRDOPGGSA-N 426.473 0.073 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1)C(F)(F)F 1839893248 SGRNOYHXOVHDRL-SUMWQHHRSA-N 431.415 0.489 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839997501 QPTPWSJTAFHENP-KOSHJBKYSA-N 442.512 0.659 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(F)ccc(F)c3F)C2)C1 1840040186 RGCPATJGBGEALP-FQEVSTJZSA-N 440.374 0.191 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(C(F)(F)F)n3)C2)C1 1840042297 MKIMDVQDWYTIRG-INIZCTEOSA-N 447.391 0.320 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840172008 LNGVETVCWGIDMG-LHSJRXKWSA-N 432.477 0.025 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 409519480 GRWCSTGPTYLCHV-AWEZNQCLSA-N 445.523 0.627 30 20 ICED C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 441850761 OOYLTSOJIFYKCZ-UHFFFAOYSA-N 428.493 1.470 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc(OC)c1 442007468 AUCFGGSGNLHLEC-UHFFFAOYSA-N 428.449 1.158 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 447352754 BOGYINXICBXJKN-UHFFFAOYSA-N 428.453 0.975 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCOCC1CCOCC1 460596713 CRFCZTPYBDANKP-UHFFFAOYSA-N 426.477 1.335 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 465135575 ZFNXXFMBWJHHRF-AWEZNQCLSA-N 431.456 0.657 30 20 ICED CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 469952286 GHMJYUBLSRFWFB-SFHVURJKSA-N 430.486 0.864 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C2CCN(C)CC2)CC1 481263668 XXSILRKKZRVRBC-INIZCTEOSA-N 433.578 0.900 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 482075148 LIDQSOBJIAEELK-JTQLQIEISA-N 428.396 0.878 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 482182176 PRFAFUSIWUUFRP-QGZVFWFLSA-N 433.578 0.711 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCNC(=O)C3CCC3)CC2)cc1 484889006 SOTQTPJJIXVHQM-UHFFFAOYSA-N 433.534 0.881 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 487506309 RFLQNOAXPOECRR-LJQANCHMSA-N 441.513 0.848 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 488980836 LSJDZHBXWQJMEH-AWEZNQCLSA-N 436.493 0.750 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)CN1CCOCC1 501863713 PBGLVRZOLVLLES-HXUWFJFHSA-N 429.502 0.820 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2=O)cc1 502798204 ZDBLYNGFGYFGDM-ZWKOTPCHSA-N 432.502 0.317 30 20 ICED COCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 508669193 IAHPAQCFNVDMRG-ZWKOTPCHSA-N 434.518 0.899 30 20 ICED C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508902733 LNCUPHNSSLJLRR-UHFFFAOYSA-N 428.493 0.848 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCSC 514521235 MPHKKSDUEGDQQM-CQSZACIVSA-N 432.571 0.712 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2)c1=O 523477663 NTPGEAMNDSNXIM-UHFFFAOYSA-N 436.331 0.958 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccccc1CN1CCOCC1 526098479 ZSBLBYWYZJYJQF-UHFFFAOYSA-N 425.493 0.725 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)cnc21 538266343 BQVLJIQYUODWQB-UHFFFAOYSA-N 437.441 0.774 30 20 ICED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 538623327 NHYBFPDAPDLUKB-CQSZACIVSA-N 438.506 0.684 30 20 ICED COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 539481889 AXSHAOYZZGTLSY-DLBZAZTESA-N 440.591 0.592 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1Cc1ccon1 554407016 YJYJXRFEXKKPAN-UHFFFAOYSA-N 440.481 0.521 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 560016789 WRDWAMLWSIBYDP-SFHVURJKSA-N 427.549 0.928 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 573313745 GGAFCRSPUJRSAE-CABCVRRESA-N 429.525 0.552 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 574599261 FIOIKZKDEOFJKP-QGZVFWFLSA-N 429.525 0.694 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 583657497 PBVXJPWHDPDMIQ-UHFFFAOYSA-N 445.526 0.605 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 584853594 YSPMIZKGYPORMB-CQSZACIVSA-N 444.531 0.328 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 678681014 FUAXXQLAIVRVJQ-UHFFFAOYSA-N 441.532 0.672 30 20 ICED C=CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 731214615 UWERLSVMFBFMMI-KRWDZBQOSA-N 425.526 0.954 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 732468572 WLXNVMHJYNONHW-ZCXUNETKSA-N 433.415 0.959 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 732562785 JQBAMIZTBWFKIU-UHFFFAOYSA-N 429.546 0.723 30 20 ICED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 736015940 XOHNKZJFVQYFHV-OAHLLOKOSA-N 446.522 0.662 30 20 ICED CC(=NNC(=S)NCCCN(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411474 LVNDMAPWHJJXEF-UHFFFAOYSA-N 427.596 0.847 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](C(=O)NCCC)Oc3ccccc32)CC1 747994082 YSBSGABOCUCVDW-LJQANCHMSA-N 440.500 0.295 30 20 ICED C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 750552273 KYDNTZRJCUKPGV-MJMQLPLLSA-N 436.530 0.887 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)ccc2F)c1=O 753787762 BMCBPHNNGLFZQC-UHFFFAOYSA-N 426.882 0.278 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sccc2OC)c1=O 758060463 CABPVNRXEXIPCB-UHFFFAOYSA-N 442.566 0.280 30 20 ICED C#CCN(C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CC1 764739623 TWXQREAZILSGFP-UHFFFAOYSA-N 429.520 0.598 30 20 ICED Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 768033450 DUBPMIGSJOPNQA-UHFFFAOYSA-N 436.472 0.901 30 20 ICED C[S@](=O)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 775987549 KAFRMBKGHSWQJX-KEEVHDRGSA-N 435.569 0.531 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)o1 785650912 WCTIVTXXZXUNGM-KRWDZBQOSA-N 426.477 0.573 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)c1 803579466 NGVSGXGBWZEQKU-UHFFFAOYSA-N 447.538 0.705 30 20 ICED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808028827 GXBKOBAPUMDYTB-HZPDHXFCSA-N 428.493 0.585 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 816128403 IBEXJKVGULZLQB-KBPBESRZSA-N 434.430 0.837 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 838290207 PFMBZERFXFMNRB-UHFFFAOYSA-N 439.946 0.633 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 913174159 XSTZHYXVFNVBSH-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 914564810 DZUWKBHHUIKPCA-PBHICJAKSA-N 429.546 0.488 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 914653394 PSALLAXUDGGXNY-PVAVHDDUSA-N 431.470 0.242 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 920731846 YJFJRYSLGMTWKD-UHFFFAOYSA-N 432.445 0.934 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1151072146 QRWMBTZNNVUOCV-CYBMUJFWSA-N 438.506 0.477 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 1251640033 DFYCVLXHOLIHKL-UHFFFAOYSA-N 448.501 0.831 30 20 ICED COCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1301725678 IKUKWOYMNILXAL-QGZVFWFLSA-N 448.549 0.656 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303627403 JYCAIXCYLCLQQH-GJZGRUSLSA-N 446.537 0.945 30 20 ICED CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1315696841 MWTRQGYSFAZNBV-PXNSSMCTSA-N 431.518 0.982 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1541804460 WLWQRIJPDYADSY-ZFWWWQNUSA-N 429.568 0.743 30 20 ICED Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)n(C)n1 1542999040 NBCDRBUYHFULEQ-UHFFFAOYSA-N 428.522 0.892 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1554505220 RWECOMWKYXLOCN-QRWLVFNGSA-N 446.533 0.750 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1620169619 ZOEIDNGMEXGIPX-QGZVFWFLSA-N 432.506 0.314 30 20 ICED CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1750979393 IVWHKAHSWSEJRM-KBXCAEBGSA-N 425.559 0.933 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)CCO1 1771537645 RYCSQKUWUKDZBY-ZDUSSCGKSA-N 434.403 0.826 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778571048 IERSAPKYPMCGJN-IVZQSRNASA-N 427.457 0.499 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1Cl 1779093745 ISOIOPAARAGRMS-PZJWPPBQSA-N 448.907 0.306 30 20 ICED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779544717 RPXVUXAZQWBDKL-CQSZACIVSA-N 429.218 0.371 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779872670 CCRCNLSLLAIPIY-QFIPXVFZSA-N 434.456 0.133 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)c1 1779938333 DKZICUWVLATEJC-UZUQRXQVSA-N 448.483 0.888 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1781267909 ALFMFRDRRALUSI-NRFANRHFSA-N 427.461 0.682 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1781963856 PRNQZHVSIYHXAU-NRFANRHFSA-N 430.436 0.983 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1782468046 ZJCHHYWQVKDOEC-DBXWQHBBSA-N 430.509 0.275 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)nc1F)CCO2 1783558366 YECIAXBFRLREON-KRWDZBQOSA-N 440.225 0.515 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377591 LBZRWWZOLFPBRO-GCJKJVERSA-N 428.489 0.682 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258158 AXCYDYNDYNZBQG-PYTWLRIVSA-N 435.550 0.174 30 20 ICED N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)c1cccnc1 1788601810 MWTMREABXPPECT-URIOXPOFSA-N 442.564 0.923 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788628552 QKOQGPGQBCCWIC-LNLFQRSKSA-N 444.532 0.721 30 20 ICED COc1cccc(N2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CC2=O)c1 1792427710 RWLDSFRRXSWPBK-YUWJWYLASA-N 426.473 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc(OC)c1)C2 1792490205 OVIYFKFSKNHPQT-CXMDPZGFSA-N 448.907 0.805 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2)c(C#N)c1 1792543604 VUDNDJHGHXMESA-BBIADKPPSA-N 426.517 0.795 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)cc1 1792558738 AHBAJOOEMQSOAP-AJYBTWMASA-N 431.514 0.268 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NO1 1793276429 FKTFUSRJBHFUHJ-UEUMHJPSSA-N 425.485 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1793344857 ULUALBVLSVYHCE-NTNQKNOYSA-N 427.457 0.259 30 20 ICED C[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794206872 BIYVLCYILPRZGA-WERVVEIQSA-N 428.533 0.807 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)c1 1795731507 MIIKMAUVIHTXNO-HGKCTWBKSA-N 447.455 0.115 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12 1796725198 DBDYYVKYUYIDDW-QDMKHBRRSA-N 425.493 0.969 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797911394 YTWNMYWHTIULPR-VXIBKDFQSA-N 432.521 0.468 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4nc(CO)[nH]c4c2)C3)c1 1798693558 NDVAWTMXDUROFI-YVWYUNDQSA-N 434.456 0.772 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)ccc1F 1798733721 KCFXFVXMIDEFLK-YVWYUNDQSA-N 428.420 0.624 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccc1C=O)C2 1799305257 YOLGEZPDRFVILO-PDOICOKGSA-N 431.489 0.961 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCC2CC2)cc1F 1799422169 HNCTYDMGMITSBT-USGNIVHTSA-N 430.432 0.906 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c(Cl)c1 1799749576 YMCDJXAXKIPHES-VLWCASSMSA-N 433.896 0.008 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1800111523 PRFDDCIRFUXTOS-QXCFHYIPSA-N 445.520 0.605 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800672596 YZNREYZWDQZKAO-SCAQPMJSSA-N 437.541 0.383 30 20 ICED C[C@H](S)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 1800990521 QMTKSRUTUZKYPC-SBJFKYEJSA-N 445.582 0.559 30 20 ICED C#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]1C[C@@H](O)C1)C2 1802125761 RNPAWESZBMGOFX-ARAZSQDJSA-N 435.521 0.264 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812671790 MACKPYJHOQBUML-MJGOQNOKSA-N 440.491 0.585 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@@H]1c1cccnc1 1813039941 KTPRFQJZBYZTQU-QTXLCTLRSA-N 437.518 0.901 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902187 KCQCGGQYDAOIPX-QFIPXVFZSA-N 439.472 0.750 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)n(C)n1)CCO2 1830945351 HNJRGRWKPRXCIF-JOCHJYFZSA-N 434.537 0.710 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1831391652 DVHVWBJNRLIYFB-JLTOFOAXSA-N 434.518 0.524 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831438054 KYTFTQVRODDLSB-XMSQKQJNSA-N 434.537 0.627 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1832454143 BVOGNTSSOXOSEA-HXUWFJFHSA-N 436.534 0.865 30 20 ICED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832558158 XLPCJUSYCRIXAB-OAQYLSRUSA-N 427.461 0.804 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833427571 MQYPSPFPKZIEBN-UHFFFAOYSA-N 425.489 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833663141 PACWDBNHNXKSED-WMZHIEFXSA-N 446.548 0.791 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1833705519 CYGNPKWZQXPNMV-SFHVURJKSA-N 442.582 0.542 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834753148 BFXZKLOTECVFCV-OAQYLSRUSA-N 436.509 0.661 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccn1 1835680244 FVBBAJABULRDIV-LAUBAEHRSA-N 432.525 0.182 30 20 ICED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1835796040 TUYHHCORDDYOAS-JNQCIGHESA-N 436.538 0.267 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811755 FFSHTZAIQRFDEI-XQFWAAQXSA-N 431.533 0.776 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844202 LVMCPWQOMLCNEZ-GOSISDBHSA-N 444.523 0.921 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c(Cl)c1 1836353418 QRTLNKUWJGDXHU-LJQANCHMSA-N 430.852 0.714 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1837395264 VSNOCCLVEVVORA-FGSXEWAUSA-N 434.537 0.549 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837399068 NBCGDENZHKCXEN-AUSIDOKSSA-N 442.516 0.977 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837441244 XYLNSVYENCSNFT-XLKWYTADSA-N 435.550 0.993 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837489751 SWZAOTZPYHXQEU-QFIPXVFZSA-N 447.557 0.841 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)CCC1 1838796987 RMIOVORKACTDSH-UHFFFAOYSA-N 428.489 0.604 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350831 BPKSBHSBTRRWNV-WZONZLPQSA-N 445.516 0.429 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c(Cl)c1 1839424284 YMXVFMMOQPRTEJ-IBGZPJMESA-N 431.836 0.978 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1840042391 SDMCPUGYIPXDNG-NRFANRHFSA-N 445.859 0.979 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cccc(Cl)c34)C2)C1 1840042392 SDMCPUGYIPXDNG-OAQYLSRUSA-N 445.859 0.979 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840043066 GDGAQLYWVNRHDF-HXUWFJFHSA-N 431.832 0.370 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840165856 MDALTAFHSXXITO-IERDGZPVSA-N 438.546 0.987 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840294668 HVMXKEBGEIHTMV-QFIPXVFZSA-N 430.505 0.765 30 20 ICED C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840393602 VXTNUFLIQIJLBW-YWZLYKJASA-N 433.486 0.107 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1841053414 OPQYVRLIBDGXNY-HJWRWDBZSA-N 431.514 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847035013 RADBPTWJZMRRES-KCGQVOQMSA-N 427.457 0.878 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(C#N)cc12 1847823938 USZYUNBLJUGFIW-DQYPLSBCSA-N 429.502 0.931 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(O)cc1 1848128689 CKJGWWVJKOHWRR-NQYYFHDYSA-N 438.484 0.689 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 16775969 HQZJEWOGLRTYKF-UHFFFAOYSA-N 434.499 0.352 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(CC(=O)N4CCCC4)CC3)CC2)o1 29719207 MNOWZDLVDBKHMA-UHFFFAOYSA-N 443.552 0.133 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 410125674 OYHXIUGTBRETGH-UHFFFAOYSA-N 443.957 0.685 30 20 ICED COc1cc2c(cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1)NC(=O)CC2 446520637 CXIRHUGKSKBFMW-UHFFFAOYSA-N 429.477 0.593 30 20 ICED CCCN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 472181191 HDQVKQREMQBTCV-UHFFFAOYSA-N 447.561 0.335 30 20 ICED CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 478206009 ZMXHOYAWAODNMD-IAGOWNOFSA-N 440.460 0.706 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccon1 480953027 OMUIHEVLCFWYJE-UHFFFAOYSA-N 444.538 0.972 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 482811502 MDUYKMWZXBGLOR-CABCVRRESA-N 439.501 0.624 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1=O 483203461 ASHMHVOZHNRMNL-QGZVFWFLSA-N 443.500 0.825 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@]2(CCOC2)O1 483206561 ULTJLWDRDKAQTP-UTKZUKDTSA-N 448.545 0.271 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cccc(S(N)(=O)=O)c3)C2=O)cc1 487160585 PCEQQQTWUSAMTA-GOSISDBHSA-N 427.486 0.806 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)nc1 490050198 XVRQWBJRXZWIRA-MRXNPFEDSA-N 436.515 0.715 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 501011064 OQCNPXVTGFQECX-SFHVURJKSA-N 432.477 0.720 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 508863780 JOZIYIURHMITGN-UHFFFAOYSA-N 442.549 0.994 30 20 ICED 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CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccc(O)cc1 1784018036 DOSAUTSROPADGR-VGSWGCGISA-N 427.505 0.202 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1785016460 DZLNQVBWTLGHNN-MPGHIAIKSA-N 447.561 0.529 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)[C@H]2C1 1785186615 QNQRVKTXNAOYJK-MVJTYMMSSA-N 430.530 0.990 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c(O)n1 1785774574 NIHVQLRYVCXKEJ-LNMJFAINSA-N 442.516 0.635 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)CCC1=O 1788630228 TXRCZZWVIXYHNG-LNLFQRSKSA-N 444.532 0.273 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1789892060 IAWIVRRHPKXMQV-IEZWGBDMSA-N 430.505 0.932 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccc(Cl)cc4nn3)C[C@@H]21 1791075663 KCASUTXEAVKUOP-YEWWUXTCSA-N 442.859 0.965 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1nccs1)C2 1792488488 DDGQWVSOPYLXEM-PYUXSEGLSA-N 433.534 0.392 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793386168 DPMDGQNWTSRBGE-DLTLXFJOSA-N 438.506 0.301 30 20 ICED COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1794583750 KPJIYDLQTGVQCM-CWPLJXCYSA-N 439.472 0.583 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2ON=C(c3ccccc3)O2)c1 1797644273 KKRSNJKQTKTQCS-UNMKOGDSSA-N 435.440 0.824 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)[C@@H]1CCCS1(=O)=O 1798497082 LJLWUZQEQFRJBF-TYRQUNGPSA-N 427.523 0.731 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801765907 VHIPQBQVGBRXEN-WLVWHVFCSA-N 442.516 0.668 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807049482 YTJXAKNGYXUDRG-ZWOKBUDYSA-N 445.520 0.190 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807145016 FPQDSEDWGYXDGY-FUHWJXTLSA-N 425.497 0.056 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNC(N)=O)[C@H]3c3cccnc3)c2c1 1812071698 GRGZEVTVODTJIG-QRWLVFNGSA-N 446.471 0.817 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819773063 RZEVHSIBVVOERC-IIIPAAPISA-N 447.521 0.125 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)[nH]n2)c1 1820309404 ZUTMLRBXQWJVIP-VQIMIIECSA-N 427.465 0.566 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821602948 DXYMHJRGRWJVGD-HWPZZCPQSA-N 432.462 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1829768739 GMPJVBATYMEIDC-DYRFGFBLSA-N 444.488 0.024 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829849406 VLXCIETWSVGNBO-WIYYLYMNSA-N 425.526 0.340 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829895683 DQPZJZXXYMULDD-XMMPIXPASA-N 440.544 0.899 30 20 ICED CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830022356 CTRRKHVITAIPDC-JOCHJYFZSA-N 431.489 0.818 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831195862 IAIBSJGJCHGKPV-UWJYYQICSA-N 425.526 0.340 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209142 SSXQJIVNRKIJQY-DHLKQENFSA-N 437.540 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1831399217 RTXJFCNAIUWYLJ-JPYJTQIMSA-N 440.500 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1831402112 OAJFMNXYABHGPS-VGSWGCGISA-N 434.464 0.699 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831497339 BZSHNUWSFWYWBR-ABSDTBQOSA-N 429.583 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887363 AUNBDYXZTFRWTH-JTSKRJEESA-N 433.505 0.028 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1833076059 QOBRHFHJNRXEHJ-ARJAWSKDSA-N 428.537 0.313 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833121702 JQJCMZJHYXMCCQ-DLBZAZTESA-N 435.569 0.885 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1833468507 BZMJNNBDHUFPHT-KRWDZBQOSA-N 429.521 0.465 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OC)CCO2 1834131195 RYNVDUXYNLTBGA-QFIPXVFZSA-N 447.488 0.670 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1834240504 XATYAMXSJGGUAH-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834734361 UIMAZIJCLSQLAJ-IBGZPJMESA-N 437.585 0.134 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1835100386 QJYCHPHEVVSSNX-XMMPIXPASA-N 445.479 0.851 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1C[C@H]2C[C@H]2C1 1835677865 PBMHEPWYKYWKCC-GBPOLFSSSA-N 447.580 0.065 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835769520 WGDUSHLIDKTAIL-JCUGBREXSA-N 436.553 0.858 30 20 ICED Cc1cccc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)[nH]c12 1836856476 GQNFWTATWNRMEC-JOCHJYFZSA-N 425.441 0.634 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1836909689 BDVHBFBPHQGFBN-MXJLDLDKSA-N 435.569 0.968 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837441088 QYCBQQSIHMKGAE-GQBLCDNYSA-N 432.525 0.270 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1837634785 ARUHDKLLKWJMPW-UHFFFAOYSA-N 426.539 0.324 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837701436 NFBAKIHUUJAJNX-GAJHUEQPSA-N 440.500 0.627 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908891 ZMSHTGJTDNUHBH-YADHBBJMSA-N 445.472 0.244 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224756 YFDSLZTWFRLFDP-HRAATJIYSA-N 434.493 0.961 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363799 UXJPYGFOAPDBIV-KSFYIVLOSA-N 428.489 0.347 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cncn1 1839364230 UCPNKMHDVQXWPK-VGSWGCGISA-N 438.488 0.675 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581651 VDESBPSTKUZHMG-NQIIRXRSSA-N 436.578 0.933 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)C2)C1 1839806261 HRIYQSKGQWPXOB-XUZZJYLKSA-N 439.512 0.757 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839863770 GFXYBKHEEKBXDA-NRFANRHFSA-N 437.613 0.759 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839960793 NCLLYKDHOKVITL-XQFWAAQXSA-N 447.532 0.847 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325293 QMLSRAHLLWVSRY-QHCPKHFHSA-N 444.532 0.497 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CN)c4ccccc4)C3)C2)CCC1 1840812938 TXVWOUBVWRLYEH-CVDCTZTESA-N 426.517 0.879 30 20 ICED C[C@@H](O)CN1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(C[C@@H](C)O)CC3)c2)CC1 436437214 UPWHWFLUIKEQDE-IAGOWNOFSA-N 432.525 0.472 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)C1=O 440275369 JMOPOIPAQDZKLZ-OAHLLOKOSA-N 437.474 0.061 30 20 ICED C=CCN1CC[C@H](N(C)CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1=O 440495476 BWKMSQUWESKXDF-HNNXBMFYSA-N 429.564 0.429 30 20 ICED Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 440858891 KJLLPZLEDKLMEU-UHFFFAOYSA-N 440.547 0.483 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 445719307 AOMYNTNYWJTPRX-UHFFFAOYSA-N 426.442 0.698 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 460784862 UONFRORNTYXTSX-UHFFFAOYSA-N 436.476 0.841 30 20 ICED CN(CC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 467602088 MZMGHNDHWNGRAV-UULLZXFKSA-N 435.531 0.244 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)cn2)C[C@H](C)O1 475194670 YUJALMSBRDJCRW-HOTGVXAUSA-N 438.488 0.988 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(Cc2ccon2)c1=O 478846344 RWGNMJOHDNNWDJ-AWEZNQCLSA-N 439.497 0.832 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 482833176 DRFWPWHOFXLQFI-HNNXBMFYSA-N 442.497 0.915 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 490984476 FECBQZUTHSWJGE-FXAWDEMLSA-N 435.475 0.866 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 497708781 NMBSYEOUDAPFPC-UHFFFAOYSA-N 436.310 0.928 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C)c1=O 500543673 GMGDHEQRBNYVGQ-UHFFFAOYSA-N 428.470 0.879 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nnnn1-c1ccccc1 502151999 XUYSCGQFKRQSSA-OAHLLOKOSA-N 431.460 0.455 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 502517055 GCUCDQZDWKEUBG-INIZCTEOSA-N 429.502 0.818 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508895303 OECXBNBQRCZGJZ-UHFFFAOYSA-N 428.541 0.307 30 20 ICED Cn1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)n1 512518098 FNYLBCWTYHKMNF-OAHLLOKOSA-N 448.405 0.844 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccccc1 515923801 GXTQPTQTVVMHHS-UHFFFAOYSA-N 439.518 0.552 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 516595619 HKPVWQPSSGSJOR-LJQANCHMSA-N 428.489 0.682 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 519776850 QZQXPYBWNJQSIU-NSHDSACASA-N 440.547 0.665 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523088956 XVLLZUUWKZZTAA-UHFFFAOYSA-N 430.486 0.882 30 20 ICED CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#N 523670527 HISMBBVWRREUBR-INIZCTEOSA-N 440.547 0.199 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 540000932 KSZWESWWDRFHNN-MRXNPFEDSA-N 425.555 0.965 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 540454281 MXVZASDFZQTYIN-UHFFFAOYSA-N 432.506 0.589 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 543259760 CWYFLQXYBICIHX-UHFFFAOYSA-N 428.424 0.895 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCO1 548758347 FXXPRAJUJLFBOU-CYBMUJFWSA-N 432.424 0.932 30 20 ICED CCN1CCN(C(=O)CC2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)CC1 579034811 SMCUQZXNKIYAAU-UHFFFAOYSA-N 433.578 0.993 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 579744959 YBNLDNJDMPRNMW-CQSZACIVSA-N 440.460 0.582 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 580635467 HHBOUISIBMPHDH-INIZCTEOSA-N 433.463 0.952 30 20 ICED CN(CCS(=O)(=O)c1ccc(C#N)cn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 588962176 JCQYDOTXZSSSQA-UHFFFAOYSA-N 440.485 0.756 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 590997141 ZEZDJSMIXYBMLM-LBPRGKRZSA-N 428.470 0.807 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 604269082 KBXVTAMYHOYJGT-UHFFFAOYSA-N 426.542 0.582 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609088539 DUGHDFIHPCPYQH-UHFFFAOYSA-N 430.433 0.886 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1F 609450623 OTDGPEZEEYHYLU-UHFFFAOYSA-N 428.489 0.227 30 20 ICED COC(=O)Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 609879752 WUNHFSAAJGHQCN-UHFFFAOYSA-N 432.462 0.431 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2C2CC2)c1=O 610574366 LSYNTOLLOFOGNS-UHFFFAOYSA-N 443.550 0.084 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c1C 611188815 PJDWLJBODKHQJI-UHFFFAOYSA-N 432.506 0.743 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 672357473 GLDMBMVMKDRLCU-UHFFFAOYSA-N 434.562 0.999 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)n1 675630172 BRPDWJDIXHLEIT-UHFFFAOYSA-N 442.541 0.910 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CC(=O)NCCOC)C1=O 726395296 JSGLSGSNEVWFMY-HNNXBMFYSA-N 438.506 0.534 30 20 ICED CCCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727012034 DXBGSLHLNRXOIE-WMLDXEAASA-N 435.502 0.645 30 20 ICED CC1(C)Cc2cc(C=c3sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c3=O)ccc2O1 729672360 JXPFURRRTASCKV-UHFFFAOYSA-N 444.538 0.199 30 20 ICED O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 732156432 NGMCRWZWVLQTKN-NXVVXOECSA-N 447.245 0.688 30 20 ICED COC(=O)CN(CCN1CCOCC1)CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 732203868 KLWWUNPJMRMTAM-MRXNPFEDSA-N 427.461 0.319 30 20 ICED CCOC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)sc2c1CCC2 743917205 DHHCEBURXRGADK-NXVVXOECSA-N 446.485 0.995 30 20 ICED COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)cc1 746379961 UNTKSHMZJZFGNL-UHFFFAOYSA-N 439.520 0.991 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1 747276848 DEUMCKIMTNHTTG-UHFFFAOYSA-N 431.518 0.327 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nncn2C2CC2)cc1 750649563 CFDAWSJHTIVHNK-JLPGSUDCSA-N 445.505 0.681 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)C1=O 755670285 PCMJGJKJTFHLQZ-SCLBCKFNSA-N 442.542 0.789 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cnc(N3CCN(C)CC3)nc2)cc1 755802659 OCEZLKFEUKCHSO-UHFFFAOYSA-N 432.506 0.718 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnnn1CC(F)(F)F 758344155 QWUUGOZXAONQMS-UHFFFAOYSA-N 432.384 0.798 30 20 ICED COCCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758763212 UNTISKLVVUUJIQ-BZUAXINKSA-N 444.554 0.981 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 761037243 NQJVZIYPROUICK-MRXNPFEDSA-N 442.969 0.651 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[C@H]1CCCO1 773791268 CJRJDHYFLUVKFE-RTBURBONSA-N 448.545 0.248 30 20 ICED CCOC(=O)c1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C#N)cn1CCOC 776815165 PHNPSICGBWJRKR-UHFFFAOYSA-N 447.473 0.619 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccnc3-n3ccnc3)C2=O)cc1 787449632 WJXYGEDABZNUEF-LJQANCHMSA-N 443.467 0.672 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796201717 NCOTYPSGMBLTJK-KRWDZBQOSA-N 445.586 0.720 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)nc2)CC1 801552294 HDNLJUCLCDICGX-OAHLLOKOSA-N 440.529 0.700 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)c1 807002551 ZUCUPMRPMKLNJI-UHFFFAOYSA-N 432.433 0.409 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCC3)c2=O)cn1 814253050 QJVMNOBUWJPOMC-UHFFFAOYSA-N 427.530 0.603 30 20 ICED CN(C)S(=O)(=O)c1ccsc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816130299 HDFZIEAAYHCATF-UHFFFAOYSA-N 444.472 0.897 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 831748908 RJSDJSCGTSGNQE-YJYMSZOUSA-N 438.506 0.909 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 920245641 RVIBLMXYJHCBDD-PGMHBOJBSA-N 433.494 0.431 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1 920652647 CFLFPYYJNOWLNK-GXFFZTMASA-N 442.266 0.483 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1288526399 UWQZMZPRVLAZMS-CVEARBPZSA-N 425.559 0.445 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1291278234 RORKXPBGUCUBLO-MRXNPFEDSA-N 426.477 0.813 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1360241056 ZLEQRVSQJHLLLA-JTBPQFFMSA-N 433.582 0.894 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1360714173 NKSXWFRSXPJTLE-XHSDSOJGSA-N 439.586 0.737 30 20 ICED CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1508462542 OVURRBBERNLDGA-UHFFFAOYSA-N 425.493 0.827 30 20 ICED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1554565840 OXMZWZUZSBSINJ-OAQYLSRUSA-N 442.476 0.769 30 20 ICED CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1613895594 WNZCFOUBQDMLIE-CABCVRRESA-N 447.565 0.816 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1618816487 ZGQSTWXTFBRSQI-QGZVFWFLSA-N 446.533 0.878 30 20 ICED CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618845088 UCWBYXAEWTUGHP-UHFFFAOYSA-N 432.554 0.619 30 20 ICED CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2C1 1668621225 TWRAYXFHEFAUHT-UHFFFAOYSA-N 428.518 0.973 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1693747949 PASXWGOVMTWRKZ-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1706075496 OSAJSLMLCWPCPG-VKJFTORMSA-N 426.543 0.776 30 20 ICED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1711472863 XHDIXFHFYWUUOO-UHFFFAOYSA-N 433.494 0.254 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCN2CCCO)c1 1712878929 MYUWRDYCEBXOKI-LJQANCHMSA-N 444.561 0.898 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CCOC)CCO1 1748210830 KPMHFOZLRGCQIQ-IBGZPJMESA-N 441.536 0.736 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1762413421 KEMSEEOCFRZIKF-LSDHHAIUSA-N 428.559 0.758 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1770345523 IPSNXLLQHAWKJG-IBGZPJMESA-N 432.506 0.050 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2ccccc21 1778167921 OFXRWJZPKIBHNE-HSZRJFAPSA-N 437.500 0.864 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019720 SVTYERGUKPDOSF-KURUZVKSSA-N 428.493 0.322 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779965195 LCHBJGIFEUPRLQ-IIBYNOLFSA-N 432.477 0.819 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781395872 CRBQKQLXUAAGMG-LIVBEALHSA-N 441.481 0.112 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782563599 OGIFJBBQHROPOK-VGOFRKELSA-N 446.552 0.963 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)CCO2 1783565810 QLDQIRGYWVIWCI-FQEVSTJZSA-N 430.848 0.677 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783616747 XCGMJULANWLZMT-GXNBUGAJSA-N 443.566 0.505 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197128 HLSZXGYYXJPCRE-QAETUUGQSA-N 425.526 0.818 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1784542086 XTJWAOIVPHMJFS-MNXVOIDGSA-N 425.473 0.599 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 1785036059 HLJSUYVACJVLEK-DWXZBXMZSA-N 428.485 0.844 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365794 UJGCYRQNBYGYAG-ZHRRBRCNSA-N 449.552 0.752 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1785381698 BAAZEGNUEKRSNY-HSZRJFAPSA-N 440.500 0.779 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1785421097 KVGXTHVLODQFKJ-MONBJTKQSA-N 427.501 0.409 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nnc(Br)n4c3)C[C@@H]21 1786365788 XGTSTABBMFQBRN-IHRRRGAJSA-N 447.293 0.999 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cn1 1786858308 VMMDYDPQYJLOTJ-BZSNNMDCSA-N 429.521 0.965 30 20 ICED Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1787047653 DTUGEVNSEKXLFB-PWWAWZKUSA-N 433.509 0.471 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)n3)C[C@@H]21 1791076825 JEJJHXPBNPJYEC-OBJOEFQTSA-N 425.363 0.782 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cncc(O)c1 1791110444 VEQYPHYCBHIRGV-YTEOYTDTSA-N 432.477 0.910 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)cc1 1792559359 WPSGFHAQLMKSKD-FAQVEIGNSA-N 437.456 0.265 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c1 1792833943 TVSRXMPMIAXCKH-JTJHWIPRSA-N 445.541 0.658 30 20 ICED C=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)CC)C2 1793592451 IVEHOHOIBDIWQR-BPKGMFCQSA-N 425.526 0.816 30 20 ICED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795091182 BENZZLBGWGFHAC-DUXVGFTPSA-N 437.456 0.757 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2(O)CCCCC2)CC1 1798466078 SNQCIXDNXMRKDT-WKCHPHFGSA-N 444.576 0.487 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc(C(F)(F)F)n1 1798514533 BSUUCAHJXKRREZ-DPIQGUFMSA-N 441.362 0.400 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1c[nH]c(=O)cn1 1798633288 JZMIECHCMDVIPI-BPNQKZMOSA-N 428.470 0.474 30 20 ICED 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)O)C2 1799232415 HAZONLUDEDRIPN-AVEIZBFRSA-N 437.537 0.654 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCn3ccnn3)C4)c2c1 1799886464 XSIYDKFHSAWHAL-CCWDJLKJSA-N 434.460 0.320 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)c1ccccc1F 1800240145 OJBKVVAWFBNACJ-JEZSTIGHSA-N 429.448 0.903 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1800980684 CUDPXNILTVEBOA-BCEDRHLLSA-N 445.541 0.510 30 20 ICED 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 1801050510 REJFSVPHAFAGMX-LBZHBENTSA-N 443.566 0.266 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802926068 OGOHMMSUWMGJGB-ULQDDVLXSA-N 446.504 0.315 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810330816 MFKNKOODMZGODE-WSTZPKSXSA-N 440.500 0.894 30 20 ICED O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)[nH]n2)C(=O)N1 1815667139 AFAOAZBBXCKLAE-FPQGOQEYSA-N 444.496 0.425 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829823248 HDFFJTXSGIPIJI-OFNKIYASSA-N 446.500 0.468 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1830459086 QIUMISDLKUSRDT-JOCHJYFZSA-N 439.472 0.690 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2 1830606822 JMTMVDJBLJPCOI-QFIPXVFZSA-N 427.457 0.373 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1831391530 PWFLVBUQSJLRAP-CVDCTZTESA-N 430.501 0.698 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1832527582 RUFINKADVJXIGL-QHCPKHFHSA-N 442.516 0.892 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834236126 QEROWNFPBFISLV-MDAVEZEFSA-N 435.481 0.019 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096121 QKKUNKQNHZSGPX-QHCPKHFHSA-N 427.501 0.363 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)CC1 1835345581 PYGYOQWXNPETEA-INIZCTEOSA-N 428.371 0.197 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)s1 1835345666 SXLIBUVJZFHLSW-OAQYLSRUSA-N 447.513 0.837 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675533 VHQNKHXBYBSNTJ-NRFANRHFSA-N 432.525 0.080 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835704095 KLFWLEIFTMONTI-IAGOWNOFSA-N 435.569 0.304 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835913602 GAJCBAQSVFNQNI-REWPJTCUSA-N 444.532 0.564 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836468619 JSAAVGGWRBINSN-JOCHJYFZSA-N 427.457 0.336 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2)C(F)(F)F 1836971737 DZPKYQPGHPMWOC-SFHVURJKSA-N 444.410 0.854 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccn5cncc5c4)CCO3)C2)c1 1837079869 ZVLWCQYGDYQWOE-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1837395267 VSNOCCLVEVVORA-SPEDKVCISA-N 434.537 0.549 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1837399662 YTXLGRPIESIDFD-UIOOOSCTSA-N 435.565 0.356 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1837431525 SFCAFPAXOJVXTA-NRFANRHFSA-N 440.613 0.503 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838012661 SLLNRNARUARMSV-VLIAUNLRSA-N 431.518 0.860 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)c21 1838433448 BYLOOXWHZCBNPX-QHCPKHFHSA-N 438.484 0.762 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1838582519 QDAJKSCJMYFMPN-OAQYLSRUSA-N 442.428 0.644 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1cccc(Cl)c1)CCO2 1839043501 CWGPMMDDAOVWLE-TZIWHRDSSA-N 433.892 0.607 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839225158 ZEEUALUIMFDBBU-VFNWGFHPSA-N 444.492 0.829 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(Cl)c1 1839237329 CFJZSNZZZRGDDC-FQEVSTJZSA-N 444.879 0.573 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3C(F)(F)F)C2)C1 1840042619 FMNPBLBQFOZVEE-GOSISDBHSA-N 441.362 0.258 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840159908 QKFONLBHRQBLAC-VOJFVSQTSA-N 437.547 0.662 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840532341 NYCQWIBLENESAW-NZQKXSOJSA-N 427.501 0.984 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 30571502 LUIGKTVWWFYYRH-CQSZACIVSA-N 439.494 0.610 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCO1 410136029 UATXENYYRKRVLQ-ZIAGYGMSSA-N 434.396 0.749 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)n2)cc1 427671567 JAYDUKSRUCDHFA-KTVXJMAUSA-N 444.495 0.762 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 430405457 RUHMOKHYTUFAHM-PMACEKPBSA-N 434.581 0.925 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)NCCC)Oc3ccccc32)C1=O 440283946 PUTRGBZFKQJMID-AEFFLSMTSA-N 428.489 0.552 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443325556 XOJSWTQTJBCPKO-GFCCVEGCSA-N 434.396 0.936 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443342939 FJTXNJYGADBLQZ-UHFFFAOYSA-N 434.396 0.793 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 447367667 NRTUZEVJZDDAPP-OAHLLOKOSA-N 430.490 0.812 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cn1 460578138 RGDWTDQCKORUMY-CQSZACIVSA-N 442.382 0.912 30 20 ICED C=CCN(C(=O)N=c1nc(CS(C)(=O)=O)[nH]o1)[C@H](C)c1cccc(-n2cnnn2)c1 462279597 UIXNBGMAHKGHAF-GFCCVEGCSA-N 432.466 0.793 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(CC#N)CC2)c([N+](=O)[O-])c1 465146895 MTVXXMZBCGOREC-UHFFFAOYSA-N 439.494 0.672 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)C2)n1 471664902 ONOQPXLHRJADDV-SFHVURJKSA-N 426.521 0.674 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 478939650 XDOYLKAHSZQVAB-AEFFLSMTSA-N 436.534 0.175 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cc1 490332419 NDBDBZPRLJTSBK-UHFFFAOYSA-N 433.450 0.379 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)nc1 497768608 QAMJGJAHSXXKKS-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CCN1C[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1C 498914987 KLXWWDONQHPYSA-ROUUACIJSA-N 433.578 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 501724844 AHUHDLDSRDWYLT-FPOVZHCZSA-N 441.576 0.460 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 502912353 RWBDPTQIJGSPLR-CQSZACIVSA-N 430.446 0.326 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 504365978 WZRQMKAWMPACAN-UHFFFAOYSA-N 435.440 0.262 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 507538200 VGGQSSUUEMEWKT-UHFFFAOYSA-N 425.536 0.997 30 20 ICED CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508355997 CTHYQRQJGFLNCV-UHFFFAOYSA-N 426.481 0.055 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514522952 RORKZYFCDVRYHF-UHFFFAOYSA-N 447.586 0.036 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 516078949 GQSLBEKVDQDCRL-GOSISDBHSA-N 444.555 0.736 30 20 ICED C=CCN(CC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N)[C@H]1CCS(=O)(=O)C1 532718335 MEYSGDUILFJRNW-AWEZNQCLSA-N 441.554 0.359 30 20 ICED CN1C(=O)NC2(CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)C1=O 537273908 MAMLHSFSLUEGOI-GOSISDBHSA-N 442.495 0.551 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 545492869 VKWIHJLOUYPNPE-JSGCOSHPSA-N 432.462 0.077 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)ccc21 548058668 UDBRKNHDADCCOM-KSFYIVLOSA-N 440.504 1.445 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NCC)CC1 549263245 WCXRTFLIMGCKLT-UHFFFAOYSA-N 436.524 0.755 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 550587207 HADLFSDRRCCRKE-IYBDPMFKSA-N 445.568 0.253 30 20 ICED COC1CCN(C2(CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCCC2)CC1 553619303 JPNFVFUCWVSTML-UHFFFAOYSA-N 445.568 0.794 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 553670895 LKTZCPGJYNTALW-UHFFFAOYSA-N 444.561 0.167 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)NCCN1CCCCCC1 554454933 VISMIUUXGDOBGH-INIZCTEOSA-N 435.550 0.333 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 561569678 CZJQCEBWNCVZRG-UHFFFAOYSA-N 440.556 0.830 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc3ccccc3)CC2)c1C#N 567773364 NXTUYHCHMDGAEC-QGZVFWFLSA-N 437.548 0.886 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571697165 RIPSXETVEZIMCO-ZBFHGGJFSA-N 428.536 0.061 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 576428746 XGSBNNNXLYOKNN-UZLBHIALSA-N 444.532 0.892 30 20 ICED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 578383354 NOYLSDHIJYLBLK-IRXDYDNUSA-N 425.555 0.989 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C[C@@H](C)O2 587659328 LGIOYIHWCQJKJU-VVBPWWLESA-N 427.505 0.833 30 20 ICED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 589159260 KPJIYNOPJBISNY-UHFFFAOYSA-N 439.474 0.571 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(O)cc1 589390820 DEDIAFSOXBMZPN-INIZCTEOSA-N 431.470 0.690 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1 608474553 FWOZSZFEQQCZFN-UHFFFAOYSA-N 427.526 0.873 30 20 ICED N#C[C@]1(F)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 615826306 RPJIBDLXTPZNQQ-LJQANCHMSA-N 440.472 0.903 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)C1=O 671019408 PYXOCSNXVKKJBD-HXUWFJFHSA-N 427.549 0.560 30 20 ICED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908496 NDGLNBDFJRGHMN-INIZCTEOSA-N 441.531 0.295 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 742733938 GYCNSUNRJDIVHH-UHFFFAOYSA-N 440.460 0.589 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747045763 SJALLPSPTCXDMO-VIFPVBQESA-N 448.295 0.962 30 20 ICED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 749737635 KDMXIUPJJCKZPQ-XLNRJJMWSA-N 449.533 0.519 30 20 ICED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3c(N)n(C)c(=O)n(C)c3=O)nc2)C1 749811563 CBRZKVGSADNKOU-BETUJISGSA-N 449.537 0.174 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 750418918 WMGCCYVXXODFSY-UHFFFAOYSA-N 428.382 0.709 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 757065058 FHSPFYUOZMBMER-QRQCRPRQSA-N 433.472 0.853 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758054459 LJXUUYSKKMOPFE-UHFFFAOYSA-N 440.481 0.879 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2F)c1=O 758088962 HYWPYTXDZYHPID-UHFFFAOYSA-N 442.491 0.488 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 761756989 DYTUAJXBAICMKL-FQEVSTJZSA-N 427.549 0.990 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 769184545 NRBWQEJKJCFUSH-UHFFFAOYSA-N 435.569 0.259 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 786300694 YKJCXGIYYHFGIP-UHFFFAOYSA-N 428.467 0.438 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O 789760474 VQAOSOGLFMJALW-UHFFFAOYSA-N 433.490 0.791 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCOC)C1=O 798584322 NVXDTARQZHRRFL-VGOFRKELSA-N 427.457 0.942 30 20 ICED CCc1oc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1C(=O)OC 800848669 XIFQNTGPGSIFBR-UHFFFAOYSA-N 448.460 0.967 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 805736264 VPLJUFQIVPMVEJ-OAHLLOKOSA-N 430.509 0.879 30 20 ICED N#C[C@H]1C(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)=CC(=O)n2c1nc1ccccc12 917131283 VONOVDXDOVJUDP-KRWDZBQOSA-N 432.484 0.990 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1296998656 USDNAYHKFQVARF-SFHVURJKSA-N 444.488 0.620 30 20 ICED COCCN(C)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301733410 ZFDYULDVFVKDGW-OAHLLOKOSA-N 438.492 0.901 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1316360087 QFUYLQBVEZDZKZ-OAHLLOKOSA-N 431.478 0.007 30 20 ICED CCN1CCN(CCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318487507 UNUKNFMDJDOQNK-LJQANCHMSA-N 426.521 0.907 30 20 ICED N#Cc1c(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)sc2c1CCC2 1473264617 VSZIHHDJTNPXJE-JKSUJKDBSA-N 438.575 0.524 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1S(C)(=O)=O 1505282685 MYLHKIGKIIPHNZ-HNNXBMFYSA-N 445.549 0.765 30 20 ICED CS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1519613973 PVDSKGXSCFCGCJ-OAHLLOKOSA-N 443.489 0.878 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561990328 OVNVFWUOUVTBNM-LBPRGKRZSA-N 437.293 0.281 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)[C@@H](C#N)C1 1629506639 OUPZIDNMJVLXSO-INIZCTEOSA-N 437.518 0.967 30 20 ICED N#Cc1cn(CCNC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c(=O)nc1O 1630030828 XRPGMOOZPBXJAL-UHFFFAOYSA-N 439.472 0.644 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1643573761 VENGWOKNWTUCER-SFHVURJKSA-N 426.926 0.523 30 20 ICED N#Cc1ccccc1OC[C@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1658332912 YNOYWRQMKOQMSN-OAHLLOKOSA-N 436.456 0.749 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1691003791 LYPKVGPWTVKATG-UONOGXRCSA-N 432.572 0.104 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCC(=O)N(C)C 1693748813 QLHNZLUDEFEXAF-HOTGVXAUSA-N 439.524 0.637 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1722480068 OJBIJUAOFJYMIM-WDEREUQCSA-N 435.348 0.464 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1731184020 YHEKRDDNFKBTEW-DNVCBOLYSA-N 432.481 0.769 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910207 FBUYPAWDTNSYJG-KKLQWCBXSA-N 434.581 0.877 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1779037909 LKUNCWACGPFYTH-OAQYLSRUSA-N 429.546 0.794 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779412472 ZFBMXKVXPVPGOT-BVYCBKJFSA-N 439.553 0.134 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335903 PSLNGNTVNXJGNS-NYHFZMIOSA-N 436.472 0.543 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780636800 NBCWSWZJSDPKCQ-VLVHOKLOSA-N 434.581 0.175 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCOCCOCCOCCOC)C1 1780799373 HYBZNPRNRZAUNR-DENIHFKCSA-N 440.537 0.220 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780808179 VDTQXUJJJVQFCH-JXXFODFXSA-N 441.598 0.785 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781114119 HAYHLFQBCKFRGC-GSHUGGBRSA-N 435.521 0.458 30 20 ICED CN(C)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1783566262 SCVZOVMKALGKEP-CTNGQTDRSA-N 433.892 0.861 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783616758 XCGMJULANWLZMT-ZOZBEKFXSA-N 443.566 0.505 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1)C(=O)O 1783917247 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ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829402 GBGUHTNEWASWJH-XAPVIXHLSA-N 426.517 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1 1792956612 WYJKSNSUTRHFOE-RKGSWTEASA-N 434.533 0.984 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793313437 OEKMVOZPZQUAPJ-NXOAAHMSSA-N 429.583 0.896 30 20 ICED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(F)(F)F 1793691472 DJSMAKKMXJXMJI-AMMQPIMWSA-N 437.415 0.418 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1795601011 MFFYBLBIPRVUCN-JLVBRIDZSA-N 425.493 0.443 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2 1797815607 QYKFJCJQRFLVJK-QXCHGPQGSA-N 433.461 0.830 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n1 1798693560 NGOXQZPENOURAC-FVCICTRLSA-N 440.416 0.715 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800761000 IZWWRFHFTRIGLX-MBTJXNSCSA-N 437.496 0.524 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800808006 NDSINISGSUDRBG-IHEQNBGGSA-N 449.548 0.750 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1800985603 LYNRJUBJUCAZLR-XIKSMUEASA-N 433.574 0.795 30 20 ICED COc1ccc(Cl)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1F 1801080483 FPIRGIYWLRQJBY-OYHTYJOISA-N 438.839 0.708 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)CCC1=O 1801989535 OJEMWVWSGVKQQZ-VPTLXERWSA-N 439.472 0.135 30 20 ICED 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](CC)NC(N)=O)C2 1804372346 NEHAXYUXNRGJKF-ZHCJQAHYSA-N 449.552 0.988 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)C2)cc1 1804943661 VCJQIBOUZOROFE-HSZRJFAPSA-N 440.544 0.983 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354600 JQNKRFOSSPWJCR-SIXWZSSISA-N 449.471 0.171 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1810285150 YJWJAGMXJWODGB-QGCKRIHTSA-N 444.536 0.622 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1812881686 ZJSHCSJSUZQVAM-MALDHPDSSA-N 428.445 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCS(C)(=O)=O)n[nH]1 1822969264 ZPCAAZCEIQYLCK-LZNQSLFOSA-N 437.522 0.695 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1823092176 YVGOBOQGSPSHJR-VXGBXAGGSA-N 433.490 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(C)nc3C)C2)C1 1829764344 JVIUIUDPOASJDS-RMUOZIPVSA-N 448.545 0.688 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1829770361 LHVLRRZEXQUEAJ-RMUOZIPVSA-N 448.907 0.663 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830182793 UBGALNJZGNHTPJ-IFXJQAMLSA-N 442.559 0.478 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831082560 HLZHCHBJYWJHSB-NQIIRXRSSA-N 441.594 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1831393658 ZKWGJMZPVAUEJJ-SBUREZEXSA-N 428.485 0.730 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831393929 SDHZDXBBCQYUJX-ZHRMCQFGSA-N 441.528 0.196 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833362630 OVWBSQKVJMHWNZ-WMZHIEFXSA-N 446.548 0.791 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1C(F)(F)F 1835357441 ZLZCWPRAEQZNBO-QGZVFWFLSA-N 429.399 0.813 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1835358418 BGSMMNQVMNFNDL-NRFANRHFSA-N 432.452 0.914 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1835361696 YLAGQDPXIWXCOJ-FQEVSTJZSA-N 445.501 0.500 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836859109 PCWIPTFPCLWYFC-LJQANCHMSA-N 434.581 0.271 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1C[C@@H]2C[C@H]2C1 1837284269 RXJGIOAJRAXWOY-GKAYAJSDSA-N 447.580 0.065 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837442343 WIZMDDSSPGFNAT-HHEUTOACSA-N 449.596 0.791 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837443247 ABKLSNOBVOHUQF-CNSRZQHFSA-N 435.550 0.993 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837560295 VCSWEOBAPDTBKW-KOUBUWOHSA-N 447.532 0.954 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(-c5ccccn5)[nH]n4)CCO3)C2)CC1 1838050494 MOEMRWJFFHKCQB-QFIPXVFZSA-N 436.472 0.845 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1838355353 MFLCZNHHQYDVQS-JOCHJYFZSA-N 444.488 0.623 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)n1 1838672503 XECIOKLLPINWBX-OAQYLSRUSA-N 425.445 0.679 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)ccc1F 1839187318 VZBVDXUPAUYNSD-QFIPXVFZSA-N 441.463 0.662 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c1Cl 1839194240 BFXAWDSFSXHOLS-FQEVSTJZSA-N 437.880 0.291 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4-n4nccn4)CCO3)C2)CC1 1839379988 SASYWHJIVIPXLQ-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840169925 VBDRJUDTHBFEGW-HSZRJFAPSA-N 443.548 0.592 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193777 WIKGXZQEYUSALB-KBXCAEBGSA-N 431.511 0.062 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840362832 CNTVNEJVTRZDHX-BTCOZLQPSA-N 446.548 0.544 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840818414 AXPYSUBWQWOKAW-OAQYLSRUSA-N 425.445 0.430 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840958076 MXPZRJUKUGZMIN-QFIPXVFZSA-N 445.472 0.612 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1841748380 TVRFMOPLVRCKIZ-MRXNPFEDSA-N 445.520 0.916 30 20 ICED O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313605 NHVZFVFXPNGWDW-WUJFOHIQSA-N 439.472 0.908 30 20 ICED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)ccc1F 1845202733 HAFPOFQSCKWOGF-UHFFFAOYSA-N 448.520 0.869 30 20 ICED COc1ccc(OC)c(C(=O)CCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1846355104 NSDSGFIOHOXDRG-UHFFFAOYSA-N 428.441 0.958 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1847814603 DGZMSOALKCWDGK-VGWMRTNUSA-N 438.525 0.548 30 20 ICED CN(CC(=O)NCc1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 117263913 ABMYNHPHPYSLJA-UHFFFAOYSA-N 436.515 0.867 30 20 ICED CN(C)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 429539931 MAINKDFYRFUMOV-IBGZPJMESA-N 433.578 0.807 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 433906584 GHFHTLYQUALCMP-UHFFFAOYSA-N 425.424 0.281 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc2)C1 438873387 ZIFAXYGKMWSMBM-KBPBESRZSA-N 436.490 0.617 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 463343612 DZITZRFXARTURP-UHFFFAOYSA-N 429.520 0.644 30 20 ICED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 473579986 ZSQIEBHGMNOZBX-KRWDZBQOSA-N 425.942 0.964 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc1[N+](=O)[O-] 474220121 STTQZDLLPWFQIR-UHFFFAOYSA-N 434.434 0.355 30 20 ICED C[C@H](CCS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474538489 XHKUYMAVYRSVGK-CQSZACIVSA-N 427.548 0.898 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C(C)C)c2=O)cn1 478848222 OIQHQNWVVNBCOZ-UHFFFAOYSA-N 439.545 0.920 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(COC)o3)c2=O)cn1 480948730 IJUYZUPUVBXHEW-UHFFFAOYSA-N 439.497 0.636 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481071998 NUUWLOJBMZXXLG-UHFFFAOYSA-N 440.478 0.664 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 482192144 MBTHSGWRCUQIBE-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 494362857 CLOVXEPONILMQQ-UHFFFAOYSA-N 429.398 0.214 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 505831382 HOKAXQYYVGBNON-JNAXZKDPSA-N 434.518 0.906 30 20 ICED CC(C)CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512362349 JCMIHRNTTUSIMM-UHFFFAOYSA-N 427.548 0.852 30 20 ICED Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCC#N 519456025 ZGTPAHNWQXHPPK-UHFFFAOYSA-N 436.515 0.505 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2)c1=O 523089658 XBWXTHDYIZLRTE-UHFFFAOYSA-N 431.514 0.221 30 20 ICED CC(C)(C)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 524290299 FNFOTJZJVZMKOV-UHFFFAOYSA-N 443.529 0.946 30 20 ICED Cc1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1S(=O)(=O)NCC#N 525096239 VAVYHXLRCZPAEQ-UHFFFAOYSA-N 446.489 0.105 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CCNS(C)(=O)=O)CC2)o1 532920396 KMBUBTILZIPMGI-MRXNPFEDSA-N 438.554 0.297 30 20 ICED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 537425268 MNSUEOYXPRJVBJ-GJZGRUSLSA-N 429.564 0.934 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 548290018 VTKPBEJLBBCXBH-AWEZNQCLSA-N 439.472 0.758 30 20 ICED CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548369342 OBWYFTCUVLHKQN-UHFFFAOYSA-N 425.492 0.463 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 551189690 AAPJNDHEQBDZCL-UHFFFAOYSA-N 428.474 0.196 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552289127 PHLZRMQLBCESOC-HZPDHXFCSA-N 437.422 0.528 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2=O)cc1 563748510 UUTHBPXNEHGXPF-HXUWFJFHSA-N 435.484 0.713 30 20 ICED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 574718698 QUPJKNJBLOBEOU-FXAWDEMLSA-N 434.500 0.995 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C 604270324 VZFDZFUEKHZUTQ-UHFFFAOYSA-N 428.470 0.634 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1C 608853385 KFODULMXUYHYOA-UHFFFAOYSA-N 432.550 0.859 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COC)cc2)c1=O 610245089 OXKKNDXNXGKUDT-UHFFFAOYSA-N 427.526 0.874 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)C1=O 624900486 ZMFXGQQBOUUWNG-UHFFFAOYSA-N 427.461 0.380 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O 725767191 KGPDQNWJMOFLGR-JOCHJYFZSA-N 438.488 0.049 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 727164939 SZNSEMBGUOLOLR-UHFFFAOYSA-N 442.444 0.504 30 20 ICED C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 728567175 MBCMVTPTCUSQLD-UHFFFAOYSA-N 435.506 0.251 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCCC#N)C1=O 728780152 OKVRTLZQIIZGOF-JOJWKMGHSA-N 437.547 0.964 30 20 ICED C#CCNC(=O)c1ccc(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)nc1 735074298 CPCRHPSOWITQNJ-UHFFFAOYSA-N 427.530 0.993 30 20 ICED O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 737166606 JIUNKWLJQUUEKC-UHFFFAOYSA-N 442.497 0.198 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCN(C)C(=O)C1 744990468 ILFOICULYHIQAA-AWEZNQCLSA-N 426.429 0.778 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 754388391 YYUYIYNQTJLAOF-CYBMUJFWSA-N 441.510 0.524 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 758393249 VODUUSVFXFSYIR-CABCVRRESA-N 433.513 0.829 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 762104373 KKHRLWHCVIKELX-IEBWSBKVSA-N 442.541 0.724 30 20 ICED C#CCSCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773589228 KUKQAXGWEYZJGT-UHFFFAOYSA-N 449.576 0.457 30 20 ICED CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 775430419 OXPUOOISWJKHPG-VUAZUDAXSA-N 436.513 0.363 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 781936974 JNLMFHSXGXVLPG-BQASMSSTSA-N 439.538 0.549 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)c1 783464965 WMDRMZDSSWBMEM-UHFFFAOYSA-N 428.470 0.578 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 783474238 GEHOTROWNLUWJC-MUDIAHQHSA-N 436.433 0.901 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)COC(=O)N3)cc1 785078083 SAFLBZKOTPIRNM-UHFFFAOYSA-N 436.490 0.533 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 786439451 FWOYZIMHENSFOA-ZDUSSCGKSA-N 439.501 0.435 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)n1 787190356 KBDQVBDIWCGBIY-UHFFFAOYSA-N 440.504 0.039 30 20 ICED Cc1cccc([C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)c1 787614003 RHXONXZMOATEFY-HXUWFJFHSA-N 436.516 0.980 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCC2CC3)c1 787919946 NWZHTRWQNDEPHU-PYCFMQQDSA-N 433.534 0.745 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@@](F)(C#N)C3)ccc2F)CC1 800952773 JIMWPBXPISTUTA-GOSISDBHSA-N 426.445 0.756 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802724326 ZSMOOGRVHWLOQX-UHFFFAOYSA-N 446.536 0.768 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccncc1 805810313 GWGUUQOKYAGRCE-MSOLQXFVSA-N 436.534 0.468 30 20 ICED COc1ccc(OCc2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)cc1 814737306 ATHJZIPJSUMKMM-UHFFFAOYSA-N 437.507 0.888 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918349177 LMJYPVVPGDUVMC-UHFFFAOYSA-N 444.513 0.947 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918408881 BELRFODBGHKMKN-PYCFMQQDSA-N 435.550 0.991 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1504264703 VYDMAJNVVKYPOT-STQMWFEESA-N 437.526 0.945 30 20 ICED Cn1cc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2=O)cn1 1540647953 PDFZTKAVOXYDFQ-INIZCTEOSA-N 442.501 0.178 30 20 ICED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1555819927 UYJMVJJAKYWYHL-KRWDZBQOSA-N 443.533 0.819 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1697697338 XIGDIELHOQQBHO-CFAJVAMVSA-N 430.506 0.382 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1=O 1730789421 UOSLRVDHNPOVSS-UHFFFAOYSA-N 435.492 0.794 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)N(C)C 1747186291 KIJLYLIZYJXYPL-UHFFFAOYSA-N 448.553 0.299 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1747188856 QJYXNEVMULOBQS-KRWDZBQOSA-N 445.549 0.843 30 20 ICED CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751049711 PDVLFOWVUYUUHG-GOEBONIOSA-N 425.559 0.490 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778180883 JTVFMCHDFBVGLD-KOSHJBKYSA-N 439.512 0.901 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779020092 XVJJPNBCFLXJCJ-HLQTZPMBSA-N 425.493 0.873 30 20 ICED Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422867 QGKXINNDYCEUER-RBDKEGKMSA-N 434.497 0.770 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030291 PYLYERCLRASBQQ-LWOHLBADSA-N 426.429 0.966 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361004 USDVSJMJIVXFDP-QGZVFWFLSA-N 443.430 0.549 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cnnn1 1782604253 ZPTCOMCIIMOZAC-AZNCZSJYSA-N 449.512 0.277 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1783563623 VIKQHXWQKGZSGB-QFIPXVFZSA-N 436.424 0.381 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)c(O)n1 1785774159 RNHOLXNBSVDZEI-SNRMKQJTSA-N 440.504 0.791 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786576683 MLPDUQHSSSKCDU-DWRORGKVSA-N 426.473 0.195 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788352601 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30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)ccn1 1797815875 XKZLLNUEMJSZAQ-OYGISIJKSA-N 432.477 0.822 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798467211 FMJNUJZCPFQNQC-PNBKFKSVSA-N 444.492 0.335 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)cc1-n1nccn1 1798628599 WMGACMLFRDEQNU-DCXXXQMHSA-N 437.500 0.817 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1799306289 QNQCQKUWBFCBIL-ZSBFGKGUSA-N 445.451 0.581 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1799394295 DKRPZTBDTRRIOS-AFIMGQEJSA-N 446.508 0.021 30 20 ICED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799783956 LEIXNTDSYISDKU-ZSBFGKGUSA-N 438.406 0.916 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800220443 TWTHALSWHNFBNO-FQUUOJAGSA-N 437.522 0.891 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800985439 IOGQFVJRIDENDA-MCYUEQNJSA-N 442.501 0.092 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801158258 GAFXVDCNLFGHAZ-IVSAIRAKSA-N 446.504 0.806 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801990151 NRKGSPYXWNRKHK-BQJWPVKWSA-N 449.504 0.331 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(C(=O)OC)cc1 1802228554 ACNRJLOQWHBARX-LAVAIGHBSA-N 444.484 0.480 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803447057 DTPJDWLXIMTOIL-BPAFIMBUSA-N 432.546 0.829 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@@H]1c1cccnc1 1808184025 MVGBBLNXSMIMNR-QRWLVFNGSA-N 436.424 0.655 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)S)[C@H]2c2cccnc2)CC1 1809678032 KNVWXNPLCGORPT-BPAFIMBUSA-N 433.578 0.570 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810348523 LYOLYWHLSXFBLS-NWSQWKLXSA-N 446.548 0.721 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813045694 GWNCRPMTJVZNIX-DENIHFKCSA-N 446.573 0.621 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1814199510 YUSZTBLPPGUPEZ-XWFZLUIHSA-N 448.479 0.994 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)[nH]n1 1820894235 JWCRZXFPRVLILD-GJZGRUSLSA-N 435.481 0.974 30 20 ICED Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cn2[nH]cnc(=O)c12 1821224816 MFMYRQPEFWVYCD-JTQLQIEISA-N 440.441 0.101 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCOCCOCCOC)CC2 1825027562 LLZJSYQKKVTJLQ-AWEZNQCLSA-N 425.507 0.385 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828809859 ACQSRSIBZRVLQD-JOCHJYFZSA-N 438.440 0.440 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)OC)CCO3)c(C#N)c1 1829937582 HCBLLQBNYKNNRW-QHCPKHFHSA-N 445.516 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1831393203 UXLUCHGNBLVTHN-KSFYIVLOSA-N 430.457 0.524 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1832451531 GMBPKIYFOSXZAD-GOSISDBHSA-N 428.942 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1833077432 XURVUJNRNXJALM-ARJAWSKDSA-N 443.552 0.098 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833702821 MTEGGRAODMAJRN-IBGZPJMESA-N 426.514 0.857 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n[nH]1 1833824761 TYHJPPUYLPYNBR-HXUWFJFHSA-N 426.433 0.196 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834326375 AHKZTMNTVUTEEN-YRPGDMADSA-N 435.481 0.019 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765204 AXYPYSSBANRPRZ-BTYIYWSLSA-N 432.452 0.314 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834774731 YIXQBIVUDQTVHZ-GZZLHRLQSA-N 436.509 0.034 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1835099425 IJFKDNBAJLQMLX-DEOSSOPVSA-N 445.479 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1835672898 NFYMUUPGMMHMHM-NRFANRHFSA-N 433.484 0.573 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1835673065 UZAGADPUZAOVMW-HSZRJFAPSA-N 428.533 0.967 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1837392639 GHWWBWVYFYNPES-PGRDOPGGSA-N 435.521 0.863 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526572 UZHPZUDLGQEYRX-SFGBOHFMSA-N 443.566 0.926 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837637541 VGFZQOROZDCPTF-LYSGITKLSA-N 430.461 0.212 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837639418 HAHOXNNMCNDZAQ-GHTZIAJQSA-N 435.525 0.353 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649750 IUUKGIQYFHAHRZ-IQTGRTGDSA-N 428.445 0.569 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824988 CSONDGQCRQJSNN-YJBOKZPZSA-N 426.495 0.947 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)C1 1838907757 MVTIIDMQQGEHNI-NFBKMPQASA-N 426.517 0.970 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1839085767 OTCNURYXNXLFLU-PNCHPQGNSA-N 444.532 0.538 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839238878 FEDNROLAFXRRRW-JTSKRJEESA-N 438.488 0.675 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840158528 NAHRPQPVHVJMCC-AUUYWEPGSA-N 431.555 0.628 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)C=C)C1 1844373727 GHHLFVBCZYFHOU-CVEARBPZSA-N 432.521 0.797 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)cn1 1844795738 VXFMYTWNIPRKBC-UHFFFAOYSA-N 427.486 0.957 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 16775610 YPPLZCHLDYLRJY-UHFFFAOYSA-N 438.465 0.687 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 32766887 AVYGPKRMPXECHL-GJZGRUSLSA-N 444.435 0.848 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc(-c3ccco3)oc2=O)CC1 105317149 LDRWWMKOMXXQRI-UHFFFAOYSA-N 443.441 0.501 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 441981021 UOIAXCYKCVKXMM-FQEVSTJZSA-N 428.449 0.595 30 20 ICED COC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1C 469848842 OEUYXPBOKFSDKE-RDJZCZTQSA-N 434.518 0.275 30 20 ICED COC(=O)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(OC)c(O)c1 473169836 JVMXFWQOUJQFJY-IBGZPJMESA-N 443.460 0.721 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 481769952 VMBZQQFXPXHQEA-GOEBONIOSA-N 427.523 0.920 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 482856681 MJBPFYPVZDUPSD-CYBMUJFWSA-N 440.547 0.298 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 486651240 MMFPACVIUMGBQL-INIZCTEOSA-N 439.453 0.167 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 488995122 HKDAPDJCSFQWMO-LSDHHAIUSA-N 428.514 0.271 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 489032771 BBWDCATWRBDFMB-WBVHZDCISA-N 425.510 0.983 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CC1 491171254 JEMVZQZILIKEES-UHFFFAOYSA-N 438.488 0.036 30 20 ICED C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508887510 JOLZUDHVNZEKIX-UHFFFAOYSA-N 432.462 0.927 30 20 ICED CN(C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1)S(C)(=O)=O 513248494 FYJCQELHVFCNIY-UHFFFAOYSA-N 448.480 0.704 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CCO1 519291400 YJWBUNCBRPKAGR-OAHLLOKOSA-N 433.440 0.176 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 535551387 UIEONFUMWNGFOX-VDGAXYAQSA-N 442.541 0.977 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 536982422 GCCZIIVMNADHHC-UHFFFAOYSA-N 432.506 0.851 30 20 ICED C=CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 539714486 ABDOTXLVZRFHTG-OAHLLOKOSA-N 435.492 0.659 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(OCC(N)=O)cc3)n2)nnc1N1CCOCC1 545641500 CHXJIRSNSQVKTD-UHFFFAOYSA-N 425.449 0.806 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552939110 AAVNIYJPKWIBKT-RTBURBONSA-N 427.505 0.002 30 20 ICED N#CCCCOc1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 552953605 YTVDJAUYQXJBSN-WVSUBDOOSA-N 426.433 0.864 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 553089204 DDOPCKZSKUBWRM-LXZKKBNFSA-N 442.563 0.449 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)nc1 556327168 ITDLQEUDZSUIIQ-SJLPKXTDSA-N 447.451 0.777 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)n1 557354752 MMATYPVLODOOIE-UHFFFAOYSA-N 429.481 1.035 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCc1ccccn1 563659614 FRXWXIXSZHZZHX-UHFFFAOYSA-N 438.484 0.944 30 20 ICED COCCn1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 574819125 SEYYXBMGPJHVNZ-UHFFFAOYSA-N 447.499 0.914 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 587983869 ZUCKHJXLXPGJJI-HSZRJFAPSA-N 449.467 0.912 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 609358868 HGBRNSBCASCPAG-UHFFFAOYSA-N 426.521 0.861 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 610608201 HOIGZOVDLSFUGJ-WYRIXSBYSA-N 435.387 0.935 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 611643100 HKUJPMHNNJHACJ-RWSFTLGLSA-N 434.301 0.868 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 612267504 AVIOZCNNTLAOJP-AVRDEDQJSA-N 426.473 0.792 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)C2=O)cc1 728299995 WUBOIQOJGICRQT-GOSISDBHSA-N 449.492 0.957 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)c3cccc(OC)c3)CC2)c1=O 728908411 JTGUQBVJLGCHGG-SFHVURJKSA-N 441.532 0.889 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2nn[nH]n2)C1 732089145 CPGJTZWXMLBXMY-AWEZNQCLSA-N 433.494 0.399 30 20 ICED CCOc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732907802 DIHFHUJJQFUYFD-LSDHHAIUSA-N 433.486 0.404 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 745354301 SRDWZPALYQUXKO-UVBSCNOISA-N 427.527 0.690 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cn1 746362988 FRRADFCTTHJNIG-UHFFFAOYSA-N 436.881 0.532 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCOC1 749856046 LQNZWFVLTXJELC-OAHLLOKOSA-N 429.546 0.582 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 751877063 ANHWVJMWDAKRGX-QGZVFWFLSA-N 446.935 0.461 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 759950339 HTCRSCMGBQUDNY-QOBDKFOYSA-N 443.551 0.784 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 771898507 YYPIOFPFDPNLQB-LLVKDONJSA-N 429.499 0.043 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 772929776 FNNBIKYAKBROBG-ULFGMLNVSA-N 445.925 0.965 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)NCc1ccc(C#N)cc1 775910094 RCEODXIDWPFEEL-UHFFFAOYSA-N 433.442 0.696 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 798559943 AKVUEQKAPWILEC-CWRNSKLLSA-N 428.894 0.794 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)C 799273222 SIFBFOOVAOQKCB-MRXNPFEDSA-N 436.534 0.486 30 20 ICED C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCOC2)CC1 802754786 HNZUZELVBXRSCC-KRWDZBQOSA-N 433.516 0.984 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 804014330 SAFLONNEZDOOHD-LJQANCHMSA-N 427.505 0.940 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 805843048 AQHPAOOLNCIAFB-UHFFFAOYSA-N 433.511 0.907 30 20 ICED Cc1ccc(NC(=O)COC(=O)CSCC#N)cc1S(=O)(=O)N1CCOCC1 914684736 UAALIICPACASMD-UHFFFAOYSA-N 427.504 0.754 30 20 ICED NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918755917 GRIAKPXNNUTBMY-KRWDZBQOSA-N 441.513 0.814 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(C)C)CC1 1116125289 SONBIFBVSLNDSZ-SELCWUDQSA-N 435.477 0.882 30 20 ICED C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1116784290 ISUBERMDFUIQHA-HNNXBMFYSA-N 439.559 0.995 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)COC1 1289059141 NZHUYACFVZWHQN-MRXNPFEDSA-N 438.554 0.778 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1303809033 OGJHGZBKYZZAPT-QRWLVFNGSA-N 447.565 0.463 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 1318350134 ADQKPJIBYVJJQZ-SFHVURJKSA-N 431.518 0.085 30 20 ICED CCc1nn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1CC 1318407191 FCARHVNNRQAZLD-CABCVRRESA-N 436.534 0.434 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1Cc1ccon1 1319468185 PMOLMXRSEUYIFB-UHFFFAOYSA-N 440.456 0.899 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359143042 SOOVFZLZWQGHTH-SRVKXCTJSA-N 427.980 0.899 30 20 ICED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503621268 MZFWAQBKTJACOE-FQEVSTJZSA-N 442.520 0.913 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CCO1 1503784976 XYRPSVVHIWMMDZ-QGZVFWFLSA-N 428.493 0.841 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1541106549 YHZCGZRXSPHLOA-QWHCGFSZSA-N 434.588 0.697 30 20 ICED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1565661788 MXFQNDOKLLYAJD-GJZGRUSLSA-N 427.324 0.850 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1 1629268804 WTTRGSDTTYQBFO-SFHVURJKSA-N 438.463 0.344 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2n(C)c1=O 1634584745 TVYBYISBFWOZEK-OAHLLOKOSA-N 437.481 0.701 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)c(F)c1 1751234529 LIERHSNQUPYFNU-WCQYABFASA-N 426.449 0.944 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760374153 JCNNQBRHJNQTJB-STQMWFEESA-N 446.917 0.004 30 20 ICED CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765789529 MIICRFOJFVBJHC-SJORKVTESA-N 437.570 0.588 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778117453 YSBJQDPEZGCOAG-CJFCWMOSSA-N 435.569 0.744 30 20 ICED Cc1nc2ncccn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778634536 PJVJEFUYLWIALO-QVKFZJNVSA-N 425.445 0.253 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779060979 LGURPYIPJQWITN-OAQYLSRUSA-N 445.476 0.320 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937130 PSXNAEHDHPLOJI-OWDMVUQNSA-N 435.550 0.657 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1780701018 CMCBFJCBEJXYMT-FQEVSTJZSA-N 444.538 0.862 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1780874038 GJNLIQLUOPHIQN-GOSISDBHSA-N 436.262 0.305 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780911815 JSAFXWKVPUFUNK-AYPBNUJASA-N 445.491 0.871 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C#N)c1 1781175210 DMWXHUWPYWQAHU-WKHFQEMYSA-N 425.485 0.832 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1Br 1781906030 GWAWRYPVXOEDEZ-IBGZPJMESA-N 446.257 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3F)C2)C1 1783351773 BCTUGOKKHZEVRZ-RHVSLNNASA-N 431.464 0.893 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c([N+](=O)[O-])c1 1783566120 YXVXERLSUUCGSH-HXUWFJFHSA-N 431.401 0.064 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1784504378 BBNRKPOAXXDIGL-MUGJNUQGSA-N 442.553 0.627 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1785021376 XJAQFNDTGJNYAG-KANFNMMFSA-N 449.577 0.356 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1785574897 WDYYOWXWLVHRNK-BTYIYWSLSA-N 446.508 0.473 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)c1 1785645439 OBMAUTRCVRHVGT-BXWFABGCSA-N 435.440 0.954 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1785720396 WJLZWHYJLOIXBR-QFIPXVFZSA-N 427.457 0.986 30 20 ICED O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787437211 OVROIDAGDCOLCG-JYJNAYRXSA-N 442.459 0.775 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(CO)on4)C[C@@H]32)c1 1789259247 USGJGHGIMNPKML-DCPHZVHLSA-N 440.456 0.954 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789767416 IEVCRXJDYYTMPP-JIFZMYKYSA-N 431.533 0.405 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1789958147 KBOBPJQECGNGBO-LAQRGFTBSA-N 433.509 0.895 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)cc1 1790588597 HMWSMEVDXAFZJI-BZSNNMDCSA-N 437.456 0.726 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079338 KWKKCNIVNSAKJB-BZSNNMDCSA-N 427.457 0.070 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1791262604 ZYUWCZQXQDAOIY-USJZOSNVSA-N 436.530 0.747 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791300880 GYBNSFXYJVONJZ-KKUMJFAQSA-N 428.507 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1792488502 FIVATNDLJWQECX-KQLJBOCNSA-N 431.518 0.017 30 20 ICED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1792636573 UFSWHUYAACOCCA-ACDBMABISA-N 444.557 0.469 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c1 1792833621 FLNZNBAQRADXNU-UPHUGPLXSA-N 431.514 0.898 30 20 ICED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1793587115 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442.516 0.689 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c(O)n1 1798632444 VXDHAJBCTOUNNQ-HBCWATKFSA-N 439.472 0.506 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1C 1798758033 LLWHOJWTDGNECF-ZIFADMAISA-N 435.481 0.161 30 20 ICED 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](O)C1 1799197391 LWOOLBHGIMTQJG-QEOTZNIISA-N 448.520 0.108 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327438 AWIKQWGJTKFKHP-XTGKAWNFSA-N 428.464 0.520 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H]3CCNC(=O)C3)C4)c2c1 1799885366 DZBMXNPKPWTXJR-BKEDOTJMSA-N 436.472 0.164 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)(C1)C2 1800703329 MQCQOMJRTCTGCK-HGJQJTMKSA-N 429.473 0.631 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1800997991 ITLMTSXGZHKHHN-CWPLJXCYSA-N 440.504 0.345 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1801051282 CJCGFCHNEHOZLB-ICDONNSOSA-N 436.509 0.252 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801992146 QMVBWECHMVOVKY-FCGDIQPGSA-N 429.448 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]1c1cccnc1 1808223460 OMGHWYGQTLWUGN-YASZWBAPSA-N 442.520 0.393 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(O)n1 1808261139 GFARJWIWXIDOBS-FFZOFVMBSA-N 438.532 0.906 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1808869182 MPWMGLWXPRWOCO-KUDFPVQQSA-N 441.488 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[nH]1 1815620712 CWPAGUXPWQLNNQ-YHWKNFMLSA-N 441.492 0.868 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815778324 XOCODHMOMOKWOX-AYLFXWCKSA-N 433.494 0.876 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819707547 XCOFFJBPLFOCOY-XWIASGKRSA-N 435.506 0.226 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712555 OTJAHOKPYQGZTM-HOTGVXAUSA-N 445.589 0.873 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H](NC)C(=O)O)CC2 1822922646 XVDLHVNUNRKCAK-YPMHNXCESA-N 438.506 0.627 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824459118 JDLLLPQQNBOXGH-SCTDSRPQSA-N 441.594 0.972 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826874953 CKBWXWVNRMNMJJ-DUYBAWCLSA-N 431.585 0.918 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826935455 AKIWNNOLIISCJO-ROUUACIJSA-N 434.585 0.481 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996598 KXLSTQXWLLTJDX-QIHAAUELSA-N 431.537 0.911 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829903351 PWMABLNXUJCMDM-UGDMGKLASA-N 447.557 0.716 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829956410 MNKNEGPINUXNJZ-GCJKJVERSA-N 426.473 0.154 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831387898 SSDPHMYRQUDORC-HTAPYJJXSA-N 430.505 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c4n[nH]cc4c3)C2)C1 1831398464 CMEJJBPZFKOPHL-GAJHUEQPSA-N 440.500 0.980 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831425932 XDWBSKNCAJACER-HRAATJIYSA-N 435.477 0.057 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1832457138 KOJFJNRMXZKCLK-INIZCTEOSA-N 449.455 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(C)=O)CC2)CC1 1833074604 SUTDAPKOHNCWOL-HCZHMGAMSA-N 447.580 0.331 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1833469687 VWEJUPCZVHAJDH-LJQANCHMSA-N 438.569 0.604 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833584173 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839228382 BFRFDDCYMOIBQJ-DYESRHJHSA-N 433.509 0.667 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839228385 BFRFDDCYMOIBQJ-UWJYYQICSA-N 433.509 0.667 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(O)c1OC 1839376050 YSHNLJMGFOIZDQ-HSZRJFAPSA-N 444.484 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581341 JVNDTJNWQXNKIA-ZHRRBRCNSA-N 430.505 0.017 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839811059 DKTPQNFFQJFKNE-JOCHJYFZSA-N 433.505 0.643 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840175811 GTMDOLKFJIGFRO-RTFZILSDSA-N 425.485 0.929 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2)C(F)(F)F 1840200442 IDDJJAPFYRJASX-BBRMVZONSA-N 426.457 0.675 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840431620 MYYFWTFLPDKAQI-UYTRCOCSSA-N 443.504 0.688 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)c1 1840714502 WKUCNKHPYYEHPS-IIBYNOLFSA-N 439.476 0.070 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840789480 KRSUDTVRCDAOCT-BTYIYWSLSA-N 435.546 0.777 30 20 ICED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)cc1 1843008289 RLLXCIVYAISINI-UHFFFAOYSA-N 431.456 0.739 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1847071458 OJTHDDLHCXSMQB-HNNXBMFYSA-N 444.488 0.819 30 20 ICED Cc1cc(C)n2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2n1 16106897 GDKXZQHAIBWQQL-UHFFFAOYSA-N 425.474 0.760 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24149732 UZBHNOSWIQRJAD-CYBMUJFWSA-N 445.501 0.642 30 20 ICED COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409562454 QUKRTIDMUHLRIW-RDJZCZTQSA-N 429.520 0.153 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cn1 460599918 SSXKHRIOESLMRG-SFHVURJKSA-N 429.440 0.995 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2SC)OCCO3)c(=O)n1C 461368824 YGMMGGMVZXZOGQ-UHFFFAOYSA-N 447.538 0.206 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 464856588 LGICCJVDRWPRNM-HNNXBMFYSA-N 428.518 0.579 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)cc1 473314293 INCBJIQFXHENGK-UHFFFAOYSA-N 446.533 0.514 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 478859440 SBIWUQUVWXXWHV-JKSUJKDBSA-N 425.510 0.840 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C(=O)NCCCO)CC3)C2=O)cc1 488264265 LMUWXRYPEFVNES-LJQANCHMSA-N 427.505 0.579 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)cc1 503327436 DHIRNXOXLFEQKS-UHFFFAOYSA-N 436.534 0.861 30 20 ICED COc1cc(NC(=O)C(=O)NCC(=O)NCC#N)c(Br)cc1Br 509012970 GEECTBPIJOYHCA-UHFFFAOYSA-N 448.071 0.915 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCN1Cc1ccccc1 513039573 BELXFXFJJUIEQC-IBGZPJMESA-N 448.483 0.077 30 20 ICED CCCNC(=O)CN(CCC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 521183779 IBAKBFBZGLXHOS-UHFFFAOYSA-N 449.577 0.629 30 20 ICED CN1CCC[C@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 549841563 VEQXEFWWMHGXLA-QFIPXVFZSA-N 445.589 0.809 30 20 ICED CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 550477490 MZCFOGVZBKRORE-HXUWFJFHSA-N 447.495 0.841 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 560941688 HZKOGBWZXVXODV-VVFCZOMOSA-N 444.517 0.437 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 562932685 PVXSKPVZHQJELP-RBUKOAKNSA-N 447.561 0.270 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 566031546 RJALMQLKHFVIOU-WZONZLPQSA-N 440.500 0.966 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1Cc1ccon1 571477791 UCVOFVXALVNWJY-UHFFFAOYSA-N 441.469 0.944 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)Oc3ccc(F)cc3)CC2)c1C#N 575084861 KSTLGPLYDWESNS-CQSZACIVSA-N 428.468 0.972 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 578818946 YMWRQTYMPQUUCG-MHTWAQMVSA-N 440.544 0.799 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)cc2)c1=O 604270548 XWIKZZAOGQBTEO-UHFFFAOYSA-N 444.944 0.777 30 20 ICED N#CCN1CCC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 609574084 NDWFQJCYOXSDQF-GOSISDBHSA-N 428.541 0.569 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726181787 ATEFZGNVFHFNGN-UHFFFAOYSA-N 436.541 0.700 30 20 ICED COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(O)cc1 729280822 WCADBRBPXGMFQG-OAHLLOKOSA-N 445.497 0.969 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)CC1 733150872 ZDZYUGIBJCLERT-UHFFFAOYSA-N 442.516 0.058 30 20 ICED CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 733670464 OTWAJQVTEUGIEE-YUCJCZDXSA-N 435.550 0.848 30 20 ICED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccc(-n2cnnn2)cc1 734751667 WXSBNRKVWGEEGR-UHFFFAOYSA-N 441.521 0.830 30 20 ICED N#CCn1c(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc2ccccc2c1=O 738343545 PCGFYGWXJOJVMQ-UHFFFAOYSA-N 446.515 0.869 30 20 ICED C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749669652 HQMZBXREKFQWKF-GWKQSCENSA-N 433.494 0.234 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nn1 760103534 IDKPMEUSCLOHBO-UHFFFAOYSA-N 446.489 0.357 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(Cc3ccon3)c2=O)c1 763458319 QIQNJOKOWVBOAA-UHFFFAOYSA-N 435.465 0.697 30 20 ICED CCNS(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 763798822 AARVJBBQUFBNBG-UHFFFAOYSA-N 436.515 0.340 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767888248 QMHCWKLHZFQIEX-UHFFFAOYSA-N 445.551 0.481 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(-c2ncccn2)n1 768221652 SUARVIBFRJCYTO-KGLIPLIRSA-N 440.464 0.785 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 773240465 GOGHYMJKZKJFCE-UHFFFAOYSA-N 446.441 0.640 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 775005931 ABFVSAHTNKXGLX-SFHVURJKSA-N 441.488 0.512 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)n(CCC#N)n1 785219670 XBIZXNFBRIKDLC-OAHLLOKOSA-N 433.513 0.711 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789606714 CZTOMJBXQGQOPG-JCMHNJIXSA-N 434.478 0.819 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 801301353 PCDYCYDYLPCFGU-HNNXBMFYSA-N 430.454 0.321 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 815861251 YURQITJUYIIRJS-UHFFFAOYSA-N 426.926 0.890 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(Cl)c1 839215307 CTMPRJFCGPDAIO-UHFFFAOYSA-N 443.916 0.552 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCN(c2ccccc2)CC1 914848745 MHCCJBJFJFWUQA-UHFFFAOYSA-N 427.530 0.664 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 916809112 YJNPRFABDXTNNI-UHFFFAOYSA-N 435.483 0.698 30 20 ICED COCc1cccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918872130 GVQHBPYVCVJLCU-UHFFFAOYSA-N 431.470 0.731 30 20 ICED COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1300330903 YVEUDPIXJDPIQA-WMZOPIPTSA-N 426.477 0.949 30 20 ICED CC(C)CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1303004657 VXEWJWDIYFWWKH-RKVPGOIHSA-N 428.559 0.804 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1303404753 AWGJMDCKVZITGV-INIZCTEOSA-N 428.541 0.639 30 20 ICED CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1306103092 YRRPGKQYSFNFTJ-HXUWFJFHSA-N 433.534 0.915 30 20 ICED CC(C)(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359494424 YDPYKGNRCYGWGL-QGZVFWFLSA-N 442.568 0.739 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1ccccn1 1360713993 MCCJWSLBWGSAGC-LSDHHAIUSA-N 433.538 0.990 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)nc1O 1453841821 JFDDUQTUEYLAIA-YWZLYKJASA-N 443.460 0.667 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC(=O)N1C 1512402567 AIWGNASMSHXKFR-OAHLLOKOSA-N 435.492 0.658 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1614346774 JJWUMNXPXSOFIQ-PMUMKWKESA-N 443.549 0.883 30 20 ICED COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1=O 1641968049 OOUBGRYETMQQSI-NSHDSACASA-N 431.836 0.652 30 20 ICED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1707791486 PFSXFBOBVQQHOB-GDBMZVCRSA-N 436.542 0.555 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1741133844 URGYVGBXLKXMDS-BBRMVZONSA-N 437.501 0.789 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777955363 DBBXSJCTQQEOCI-LBUQITIBSA-N 441.488 0.601 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778860958 ZLLSSFRBTHQJMP-HFURDEHASA-N 434.537 0.686 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1778973626 MLLHCPIYAOXSKP-XMSQKQJNSA-N 442.553 0.459 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779017304 KYEWFFPKOIXADN-GWJNGDFSSA-N 425.493 0.873 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1779105128 IJBDSFYCQXTDPQ-ZOMDFEMZSA-N 433.465 0.214 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/O[C@H]5CCCCO5)C4)C3)(C1)C2 1779105844 NWKOCOPBPDMINM-GPEPTXMASA-N 449.504 0.689 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779281400 OPIDQRAYQSIIEH-QRQCRPRQSA-N 426.473 0.701 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1779558731 VEYBCWQHDWMUDA-YZUZCNPQSA-N 441.528 0.703 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1781093842 BRLLDTNFTBWZOI-YADARESESA-N 439.560 0.832 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c(Cl)c1 1781967868 BQKDOWJYQOQNNI-FQEVSTJZSA-N 445.863 0.207 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)CC1 1783602666 HKXPSSDJNVKIQU-FKBYEOEOSA-N 439.560 0.328 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783918540 IMZDRCPHUPEYJR-WDSOQIARSA-N 446.935 0.942 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788512229 BVWVCHCCPMAILF-USOSPAAMSA-N 448.564 0.835 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788560422 DFVNWXAAUCRNIH-TTYHFUOFSA-N 441.532 0.788 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788575560 MMHADVXEAOWYLN-WOYTXXSLSA-N 428.551 0.116 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]32)c(C#N)c1 1789843516 RJPSNYGFQPBIDH-XWIOLROMSA-N 442.516 0.614 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1789934692 IQMYSIGBUWSQNG-YVSFHVDLSA-N 438.525 0.546 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088327 OMGHUBRJWQYXJS-IGNRKKQASA-N 441.550 0.473 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1793380346 OZOZHWLUPWSTGE-YIDVYQOGSA-N 445.582 0.416 30 20 ICED Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1794121270 MTTDSAPPUWDSKA-HATOLVCRSA-N 428.533 0.788 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c1 1795470713 BRIJXRWZVIVNEL-VTYHHJSWSA-N 426.517 0.792 30 20 ICED O=C(O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448492 WEKMASVPOXQNRY-BPNQKZMOSA-N 438.527 0.894 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797908774 HDWAADXYGVXRIC-VXIBKDFQSA-N 447.536 0.677 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797933078 PHVOVKDJGUTPLX-REPLKXPHSA-N 434.537 0.298 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc3ncnn3c2)cc1 1799081352 ANMZWGMJJQUWBU-IRJINJETSA-N 444.495 0.976 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)ccc1F 1799327166 BRQBIEQKGZTMEW-UPHUGPLXSA-N 426.452 0.511 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1799641853 QJFFLJWTONXARS-HGKCTWBKSA-N 447.455 0.001 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl)C(=O)O 1799749305 OKJJCJOAQCPZME-ZDFLXESQSA-N 434.880 0.478 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H](O)Cc1ccccc1 1800635025 VTEIPIAGFNRUIB-UYFBLWBISA-N 445.516 0.709 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801049517 APNBHDVHVJPLHL-PDPLOHQNSA-N 449.548 0.751 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1801050819 ILYNPSMUGAPWJQ-FXKZBUDASA-N 449.548 0.914 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1)C(=O)O 1801763279 ZKNVQKXJBLFLHG-JQAJVKEVSA-N 428.489 0.580 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812636170 VYVKAOHEACVQBE-POLXGVHCSA-N 425.489 0.082 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819476197 XVHXRMGIOVQEOQ-MNPVBQOISA-N 441.448 0.666 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1820966285 GALWGSPUEGLVRD-BNOWGMLFSA-N 433.469 0.801 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462313 BMIPQAUTGMNBGM-QFIPXVFZSA-N 444.488 0.303 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830617761 UTUNAFFYZQRHHF-OFNKIYASSA-N 429.517 0.964 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831405577 DSBGJAMTBBZTFU-NRFANRHFSA-N 436.509 0.034 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831425950 COMANQOBKZODLR-BTYIYWSLSA-N 430.461 0.884 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831811853 OLWMGUHQNRRLTO-NYNQOQISSA-N 443.504 0.819 30 20 ICED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107753 KLYQWIAOSKLOJM-UHFFFAOYSA-N 425.533 0.808 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(OC)cn3)CC2)CC1 1833463705 UTMLODAMJOOYRL-MRXNPFEDSA-N 429.521 0.709 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833663140 PACWDBNHNXKSED-CVDCTZTESA-N 446.548 0.791 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833832829 AUORCLLPBDQMDF-CQSZACIVSA-N 427.505 0.198 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599401 KZFQHNCIIHFXJW-HNNXBMFYSA-N 439.582 0.190 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344487 HZJQGKIQZLOGIZ-FQEVSTJZSA-N 433.534 0.712 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836199818 FHLYRWSJUNABBE-OAQYLSRUSA-N 434.493 0.157 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1836694309 CPRPNLJXRKGYDX-QFIPXVFZSA-N 448.447 0.311 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147534 PSJITKJHGFTFBJ-AVRDEDQJSA-N 447.557 0.954 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837564320 HJZPMJJBWYCITC-FFCJBUTOSA-N 429.477 0.429 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837564594 YWMIVNKVBOXDQC-HPARJBSBSA-N 443.504 0.765 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1837588251 GPEIOHRTGREHDS-FFCJBUTOSA-N 429.477 0.429 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980579 ZFWIZVJDYBJMDP-VQYZLWMVSA-N 448.524 0.806 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1 1838352370 GQRGWMMPAGKIIG-MGPUTAFESA-N 435.481 0.356 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649666 DHKUJYYGDCFXIB-GWJNGDFSSA-N 431.493 0.329 30 20 ICED CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838732246 JOENKLJHAXAIHV-NRFANRHFSA-N 442.476 0.705 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732565 VUVNPBAAOSTGSK-IIBYNOLFSA-N 426.477 0.489 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1838953402 VWGXIENKXBYUGV-AVRDEDQJSA-N 426.473 0.154 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048372 YQZYMBRYKIKIKI-NRFANRHFSA-N 445.545 0.647 30 20 ICED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1 1839053187 HUOJSMIBRLJQCO-JOCHJYFZSA-N 445.472 0.092 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)C1 1839065685 PTCNJMWOMJEKGB-REWPJTCUSA-N 426.517 0.970 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)c3ccc(O)cc3)CCO2)C1 1839167115 LVNIHDFXMUHVRJ-IXFSTUDKSA-N 430.501 0.990 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839223510 XZZFQCGVDUTQSE-HRAATJIYSA-N 434.493 0.256 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839226893 XVIWGFBAVUPXJP-LAUBAEHRSA-N 435.525 0.826 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)c1 1839420627 URPBIPLLUIUUFK-NRFANRHFSA-N 425.420 0.871 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1839566454 UEZMKCADPSJOFD-NRFANRHFSA-N 428.397 0.296 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)Cc2ccccc2)CCO3)c1 1839959643 QPQWBSNBTICNAB-NZQKXSOJSA-N 438.484 0.560 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840043501 BVYZQYDDBWHLMF-QFIPXVFZSA-N 448.447 0.771 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)cc3Cl)C2)C1 1840044159 NZESCOVMSHZBIU-ZZNNXKBLSA-N 448.859 0.603 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384618 DEEPCUISWVHLLA-PGRDOPGGSA-N 434.537 0.693 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C5=COCC5)CCO4)C3)c2c1 1840562496 WMDKIYNZIVMRLJ-JOCHJYFZSA-N 437.456 0.809 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841133428 GJDVNBJOMLDGDS-HNNXBMFYSA-N 437.541 0.930 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)NC(=O)OCC)C2)c(O)n1 1844156425 DCPOEEMEACFTRB-QGZVFWFLSA-N 432.477 0.787 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 409500837 PEPKGZKSWFAHJT-UHFFFAOYSA-N 433.332 0.850 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(=O)NCC)ccc2C)CC1 427527416 JATYPUGKFCSADN-UHFFFAOYSA-N 430.509 0.521 30 20 ICED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 428209464 QWVQLFQIYFCCMY-XVYPEUIUSA-N 428.518 1.333 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C3CCC3)c2=O)n1 430982306 PQHXJERGJWKUME-MRXNPFEDSA-N 440.525 0.837 30 20 ICED COCCNc1ccccc1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440977426 DRHCSJPFYRMORD-UHFFFAOYSA-N 433.472 1.511 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441952658 DBMSVIWAGOZXHU-HXUWFJFHSA-N 431.424 1.030 30 20 ICED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447369769 WOWPQVWKQDAJMU-CQSZACIVSA-N 433.465 1.247 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465065727 JVXUBVMWZAXSDJ-GOEBONIOSA-N 428.536 0.326 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465065728 JVXUBVMWZAXSDJ-HOCLYGCPSA-N 428.536 0.326 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)o2)cc1 471324386 URQLJZMZJFMFLE-MOPGFXCFSA-N 445.497 0.646 30 20 ICED COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472161835 WMXKKINPPPMYJH-UHFFFAOYSA-N 439.520 0.639 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486481277 UXYCQNPQLLDRDQ-SJORKVTESA-N 427.461 0.122 30 20 ICED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C#N 489051309 JODCYDFLNDFXNB-UHFFFAOYSA-N 431.499 0.829 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C 498986154 RKXKHCDHTBUABL-UXHICEINSA-N 434.562 0.326 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)[C@@H](C)O)cc1 499836932 JSFWTBQLBMZJMK-IEBWSBKVSA-N 438.550 0.097 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 501923745 NECMVLZNSNQJTN-CQSZACIVSA-N 435.462 0.540 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H](C(=O)OC)C1 506031874 NTZBFKGERBWMLW-ZACQAIPSSA-N 448.545 0.884 30 20 ICED C=CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 520928281 PYEZXYNYEVLFHQ-AWEZNQCLSA-N 430.494 0.672 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 523744532 YQLOBTRJTZLHMN-UHFFFAOYSA-N 443.525 0.317 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 527030339 HFWYUDFFIWTAKE-LBPRGKRZSA-N 449.891 0.686 30 20 ICED COCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 532713390 NHDPJPBLHFXSEV-MRXNPFEDSA-N 439.538 0.029 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1=O 552163606 IZJYDQSPUPVITP-OALUTQOASA-N 442.516 0.457 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1 554199607 MUGIAIWTYXMPLV-ICSRJNTNSA-N 442.564 0.855 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 554692387 USQLVKWWZQUCBS-SFHVURJKSA-N 425.489 0.497 30 20 ICED CN1CCN(C)[C@@H](CNc2cc(NC[C@H]3CN(C)CCN3C)c([N+](=O)[O-])cc2C#N)C1 557573189 KTEZXVHUSBZXSQ-ROUUACIJSA-N 430.557 0.782 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 569412957 RQEFXNIQCRWFKV-LJQANCHMSA-N 441.513 0.925 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 576870112 OMEOVOQXIPNJAJ-AWEZNQCLSA-N 442.501 0.566 30 20 ICED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(CCC#N)CC1 611175192 YPQGEZBUUOWYCJ-QGZVFWFLSA-N 435.550 0.566 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 728573039 JJJHJSLXPLGJOT-UHFFFAOYSA-N 449.577 0.023 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)CC1 728608894 WAAVLMMICLKMKV-UHFFFAOYSA-N 427.530 0.712 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)ccc1F 731197629 XUTGCJREUGWMHP-CQSZACIVSA-N 434.511 0.566 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(C)s2)c1=O 732662859 APRWZGXFYCFNAY-UHFFFAOYSA-N 436.584 0.400 30 20 ICED CN(C)CCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 733888875 IEZJIXXXFURELL-VGLIXDPASA-N 435.550 0.848 30 20 ICED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737305086 NDSNYGLNLNYYKA-OSEFQUDUSA-N 440.522 0.342 30 20 ICED CN(C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C#N 747976066 NBQQNMHZCLVWEE-UHFFFAOYSA-N 437.518 0.944 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 748465727 RBCDICKEVYCMBG-UHFFFAOYSA-N 425.533 0.896 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 756886010 MUPKPVVLVQKLPF-KGLIPLIRSA-N 440.526 0.272 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3cccc(OC)c3o2)c1=O 758059988 WKPPPTWTRYDTBE-UHFFFAOYSA-N 449.488 0.660 30 20 ICED NS(=O)(=O)c1ccc(CCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 767475651 LNUWTQPMTIVKBE-UHFFFAOYSA-N 437.499 0.549 30 20 ICED C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769217443 OOEWPXCXMJJXKH-HIFRSBDPSA-N 436.490 0.784 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 773476927 WSYYVAIACOZIGA-INIZCTEOSA-N 435.502 0.290 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 785518581 VCNDULHXQJIFLC-AWEZNQCLSA-N 441.937 0.961 30 20 ICED C[C@@H](CC(=O)NC1CCC2(CC1)NC(=O)NC2=O)/N=C1/NS(=O)(=O)c2ccccc21 804731807 VQEOWIBQGMANQR-UHOVJUMYSA-N 433.490 0.141 30 20 ICED NS(=O)(=O)c1cc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)ccc1F 807974884 XIXZKSCAMSDBKK-UHFFFAOYSA-N 442.494 0.940 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808036410 CZHSJRWMKRUFGP-SJLPKXTDSA-N 442.520 0.975 30 20 ICED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 816670097 LTEABMSVBTWJEC-JTQLQIEISA-N 436.271 0.656 30 20 ICED CCOc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839267926 WTMBZIKDBJTOKI-UHFFFAOYSA-N 435.509 0.813 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C(=O)c3cccs3)CC2)o1 915390493 UPHRCAIVFGWHLS-UHFFFAOYSA-N 431.474 0.880 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917781690 RWTNGRYNDMJYKQ-UHFFFAOYSA-N 433.917 0.954 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCCC2=O)CC1 919038627 WXYOWWVZKKAQHY-UHFFFAOYSA-N 427.417 0.620 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 919318702 PTNJVQHLGGGXJR-UHFFFAOYSA-N 436.486 0.818 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(CC(N)=O)CC3)CC2)cc1 1119656287 ZQECLEIQRNRTGO-UHFFFAOYSA-N 433.534 0.025 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCOC1 1288864922 ZTFRCZGHZHVENR-ZOBUZTSGSA-N 437.570 0.491 30 20 ICED Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1290130345 QYIMYFXDBLFFBI-QGZVFWFLSA-N 429.550 0.979 30 20 ICED N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)ccc1Br 1309114248 IKITYFRNJHCTBN-UHFFFAOYSA-N 438.325 0.261 30 20 ICED CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501416818 VVTNKSBMMDWKBO-INIZCTEOSA-N 437.508 0.301 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1517682710 MTDJAMVJFRKXIG-OAHLLOKOSA-N 448.505 0.277 30 20 ICED CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1518649476 RRQXSWDDXFTRBV-AEFFLSMTSA-N 426.477 0.716 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1634500201 XIAFMDQXQKOYGB-CYBMUJFWSA-N 439.925 0.609 30 20 ICED COc1ccc(Br)cc1C[C@H](CO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1661993041 UWIWJUHVKUCMFC-WFASDCNBSA-N 448.339 0.667 30 20 ICED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1696493245 MXAKOMYZSYSYTR-UHFFFAOYSA-N 445.549 0.861 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)CCO1 1712886405 RNWVBHWEYQSIJV-CQSZACIVSA-N 429.506 0.621 30 20 ICED CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1741482011 NQYWXBJPWUXITP-OAHLLOKOSA-N 428.584 0.584 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nncn1C 1744090714 HRAPSHQFUJSSCW-MRXNPFEDSA-N 426.529 0.550 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750388497 PLOJGEZRPAVOOY-INIZCTEOSA-N 430.463 0.822 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1777983587 NPJNDVCQZKSGPP-QCBUCWTNSA-N 425.530 0.748 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3cccnc23)C1 1778955833 UBHJZHMYIWEVKB-RADWXHQJSA-N 425.489 0.895 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779107475 VKHACSRENYOQTG-ZYGRGVRPSA-N 438.510 0.256 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1cnnn1 1779429530 VKXDMQJCAOCMHF-PDFMVGRJSA-N 449.512 0.277 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1 1780408120 GYTOYSINHWBEMG-NJNPRVFISA-N 427.505 0.279 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1781096914 VRFDQHJAMMVZIA-HXOBKFHXSA-N 443.523 0.777 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015393 KYJNBTPAUBQWDL-PEOGOYOCSA-N 432.473 0.344 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1782056450 CAHNTKZYUPEIQW-XMMPIXPASA-N 439.560 0.948 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1782152485 UKCAQSWFDPKMIE-FQEVSTJZSA-N 435.477 0.976 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810867 KGNSJKSRBRQUFS-JLEJFLCFSA-N 433.574 0.770 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1783533081 OJTFOYHLCOROHJ-VXZXPOFZSA-N 445.516 0.168 30 20 ICED COc1ccc(-c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)no2)cc1 1783561850 LWPQUPQIEOCBCF-JOCHJYFZSA-N 439.424 0.882 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cnnn1 1784600671 LDBJIFGDOCYXNH-FOIQADDNSA-N 425.449 0.015 30 20 ICED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c(=O)nc1O 1785352489 BDKQKGVLYZHXNU-QHCPKHFHSA-N 436.468 0.139 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ncccc34)[C@H]2C1 1787341865 KOFKBAGMOJLAJI-QTIVQTDVSA-N 438.488 0.410 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c1Cl 1789267920 IGMIXTSHHAHERJ-HJWJTTGWSA-N 447.923 0.398 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(O)nc1 1789298904 ZNUCOHMKDVFOOD-OEHMNMNGSA-N 432.477 0.910 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1792173953 VFMHBBUIBBRRCK-XSLAGTTESA-N 437.537 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc2ccccn12 1792930356 YDQVQRRCIPOWJF-HJZKZARXSA-N 437.500 0.325 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1793345037 HKJXNPLSKPNNTM-YUWJWYLASA-N 431.464 0.782 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1793386677 PMCYWBLDECJSJY-QXGSTGNESA-N 435.594 0.876 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)cc1 1795844401 MSLKQZKBFBTZTN-OPMZPASUSA-N 436.468 0.713 30 20 ICED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997328 ZEURGDZNGHYSMN-CULMDFNYSA-N 439.394 0.311 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105412 HQLVYZBYVAMRQE-JNNRSPCRSA-N 443.504 0.970 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797836922 JSVRFBSRUOKYIH-GBFHVWRSSA-N 444.513 0.780 30 20 ICED CN(CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(=O)OC(C)(C)C 1800778563 HXBZIJGOUNAALI-CCWDJLKJSA-N 437.493 0.311 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1800824714 VIKVJUMCRHZWIP-BIWGCHKCSA-N 437.537 0.913 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800990807 ZMVPEIXZTNJFMD-SVGPFZOTSA-N 437.537 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)c1 1801785283 SINFHEFEESLPFE-SWFHQTGMSA-N 440.500 0.707 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804342692 QRNSJJSSCLFRTC-RKVPGOIHSA-N 431.518 0.605 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)C1 1804856258 YUPSOWMEECRYQQ-ZPUOCTKUSA-N 433.553 0.784 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1807194602 SUHFIRFLADYCBE-SBHAEUEKSA-N 434.500 0.866 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[C@@H]1c1cccnc1 1808241030 IMKVUUFLXWLZRJ-JTAQYXEDSA-N 432.480 0.890 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1)C(F)(F)F 1812392073 KVUCHPGFKIYTLT-UKRRQHHQSA-N 442.394 0.749 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CCC1 1814051745 YYYHKNZZMPOGHS-YJBOKZPZSA-N 446.471 0.826 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1814052416 UMUJVFIIQVXNFY-QYZOEREBSA-N 427.505 0.932 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)C(=O)O 1814976297 GGTCTQNQQVLNQI-YPMHNXCESA-N 436.538 0.400 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815768510 UYQHIHGNOXYICE-UONOGXRCSA-N 444.496 0.282 30 20 ICED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(C#N)c1 1817071552 OUHHNMVURUUYEN-ZFWWWQNUSA-N 428.518 0.464 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1817315106 ATUZQJYKALMMPB-ZFWWWQNUSA-N 432.529 0.276 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1817316071 YANCYLPDTCJQPZ-HIFRSBDPSA-N 432.529 0.276 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819394732 XQUSXHFYDRBUOX-WICGIDAPSA-N 449.512 0.938 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821656435 ONVGMSIJZTXHMZ-INIZCTEOSA-N 440.508 0.941 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 1829773151 MGZXCRDUWFVWHS-WBVHZDCISA-N 426.477 0.718 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1830645699 CJKXSFNTALKXBT-FQEVSTJZSA-N 428.551 0.646 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208595 OBTMMKSHRSDTJZ-JPYJTQIMSA-N 447.532 0.866 30 20 ICED Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1831319207 OPAZQLLFZOCOFZ-JOCHJYFZSA-N 432.448 0.611 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831387900 SSDPHMYRQUDORC-VGOFRKELSA-N 430.505 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1831399249 SZHYADPITLQHAV-QKKBWIMNSA-N 438.427 0.779 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1832511336 ZUVYLBGCIMAFDT-QHCPKHFHSA-N 426.469 0.262 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)CCC1 1832882309 MJXIHKAOFTXVPO-QFIPXVFZSA-N 443.504 0.285 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1833232101 LSRHLABAXBRSGU-OAQYLSRUSA-N 440.460 0.079 30 20 ICED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1833364865 ZHBULIXVORUTQF-JOCHJYFZSA-N 438.488 0.731 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833575342 ZGGAOLWZEJNVHX-JLTOFOAXSA-N 437.880 0.549 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833895908 LNOUBEIRRJONOF-KXBFYZLASA-N 426.539 0.765 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)nc5cccnn45)CC3)CC2)CC1 1834600995 PFEJWELSJBMAMU-UHFFFAOYSA-N 449.515 0.578 30 20 ICED N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccccn1 1835699622 ODDGPDJETSZJIV-VWNXMTODSA-N 434.496 0.590 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=C)CC(=O)OCC)CC2)CC1 1835832673 OYNPGBAKDNGYGX-KRWDZBQOSA-N 448.564 0.758 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2)C(F)(F)F 1836419574 MTLIQKMNJAXKJT-KRWDZBQOSA-N 431.367 0.681 30 20 ICED O=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)C1 1836520439 GTTYFLDKYCPGCD-SHTLVRLNSA-N 432.498 0.923 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1836859970 MZJBRIYBEROPPT-MRXNPFEDSA-N 428.551 0.458 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1837303279 OSMIYKWRIIOZDG-UEXGIBASSA-N 442.578 0.892 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837443248 ABKLSNOBVOHUQF-XLKWYTADSA-N 435.550 0.993 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524791 MYKZSOHMMXGXHS-QNZROTIXSA-N 449.508 0.502 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnn1 1837565018 IWGNTVBUDJPOII-QAEKNQLUSA-N 430.465 0.008 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1838830552 DMROORSEHSGYGJ-NRFANRHFSA-N 440.460 0.459 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1838907531 XXYQYPHNDUYVKY-FQEVSTJZSA-N 440.416 0.573 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839007605 KPCJTZVDPVJOTR-LXHZQTKUSA-N 449.454 0.893 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1O 1839472893 WWPKYNIBDOEDJA-OAQYLSRUSA-N 430.461 0.724 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1840157160 GPHGLTHAHJOXRX-UQASEVPWSA-N 433.530 0.954 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840582884 JESYNFPZKLIGSS-CVDCTZTESA-N 449.596 0.597 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909727 IAHDBFNYFHORNL-INIZCTEOSA-N 448.568 0.889 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)/C=N/N4CCCCC4)C3)cc21 1844259063 AZJPMAJFABHEFV-YDZHTSKRSA-N 427.509 0.305 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845835787 OCWPUVQUQMIJSY-JBACZVJFSA-N 425.529 0.864 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1847068602 FADJSCARGXJIHA-QGZVFWFLSA-N 434.537 0.439 30 20 ICED N#Cc1ccc(NC(=O)CN(CCO)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 28269249 AZJMJOJLCDKJHE-UHFFFAOYSA-N 434.456 0.476 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)n2)CC1 427335766 GOLRMZINJRFFBG-CMJOXMDJSA-N 447.499 0.960 30 20 ICED C[C@H]1CN(c2ccc(C#N)c(N3CCS(=O)(=O)C[C@H](C)C3)n2)CCS(=O)(=O)C1 436379681 RIOKCABGTPUUQS-LSDHHAIUSA-N 426.564 0.695 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 440383029 TZVJZOOEVAPISH-UHFFFAOYSA-N 444.538 0.489 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 460662490 GVRZNAIGQBPPTF-UHFFFAOYSA-N 435.423 0.664 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c(F)c1 463767068 WBURYROSOGTVRC-UNASGJGJSA-N 426.448 0.945 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1 465354330 ICHZTUUFUXMZFO-HNNXBMFYSA-N 426.477 1.395 30 20 ICED Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 467603546 YMGTVNUSIZDFGB-DEXQXJORSA-N 435.531 0.476 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)CC2)c1C#N 472160423 SMQFMTJZLPSRLA-UHFFFAOYSA-N 440.899 0.990 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 478847047 BFYBHZXGXPGPEY-UHFFFAOYSA-N 440.529 0.999 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480936527 YUMOBZSZIYANQV-UHFFFAOYSA-N 428.445 0.351 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 495384435 DRBNHFAOLKJBOQ-GOSISDBHSA-N 435.488 0.909 30 20 ICED C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cn2)CC1 497474531 NRKZBJYPCWQOAI-CVEARBPZSA-N 442.545 0.989 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2F)c1=O 501749740 WFUPYHUNUGHWBP-UHFFFAOYSA-N 429.473 0.784 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 502517056 GCUCDQZDWKEUBG-MRXNPFEDSA-N 429.502 0.818 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 504155390 DUHMPMHOTLMYOD-QGZVFWFLSA-N 432.440 0.429 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 504879130 MICGOPPZPSWHLG-GDBMZVCRSA-N 437.474 0.132 30 20 ICED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1)S(C)(=O)=O 506700671 DPEDKRXSFFEVSU-CQSZACIVSA-N 445.505 0.207 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 508945510 MBWUZSYWEMGDTQ-MRXNPFEDSA-N 434.522 0.333 30 20 ICED C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@H](C)c1cccc(-n2cnnn2)c1 520926092 MSFNKRWWAPEKPU-CQSZACIVSA-N 448.487 0.941 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 524281969 IZIGUJSJGDVODI-UHFFFAOYSA-N 442.589 0.357 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 527279829 CQZZPSBJSQNDKK-JTQLQIEISA-N 437.930 0.609 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 546202256 AXLHCJLJGWVNQW-OAHLLOKOSA-N 441.448 0.784 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 553353925 IEVKTWZWMDHUJL-UHFFFAOYSA-N 430.446 0.489 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 555859239 BPUPLOPCTVJVME-DLBZAZTESA-N 442.559 0.959 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)ccn2)CC1 555992929 YHWNWTGOGMVYRX-UHFFFAOYSA-N 447.543 0.670 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 564380044 MXKDUWNVYZUUTL-ZDUSSCGKSA-N 431.478 0.008 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)c1C#N 570370480 VJVOBJVRYCSDFX-UHFFFAOYSA-N 438.460 0.506 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 570533046 ODYBNHOBEZLMQD-LJQANCHMSA-N 437.500 0.687 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 575029164 ZPYMOKBCIGEPQI-HRCADAONSA-N 425.555 0.734 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 577778824 WNCUXRGVOFZMMV-OAHLLOKOSA-N 426.454 0.944 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCN(C)CC1 582315185 GRQJPAPSLGLDSQ-NRFANRHFSA-N 426.565 0.595 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 588865736 HGIXLLYEEZCKPO-UXHICEINSA-N 440.500 0.824 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 603730382 IEQNZVIOLYTQBO-UHFFFAOYSA-N 432.502 0.844 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2coc3ccccc23)c1=O 610955718 ZLILHHDWRVRHMO-UHFFFAOYSA-N 436.493 0.526 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 732347747 YKJBGCYBCCOOGW-UHFFFAOYSA-N 436.428 0.994 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1 733150285 GQKOFERNQFALKD-SFHVURJKSA-N 426.517 0.722 30 20 ICED CC(C)CNC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830853 NJRASBSRHIGQTL-HNNXBMFYSA-N 429.433 0.788 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 742248273 FMJLDXKLNCRKIL-UHFFFAOYSA-N 431.474 0.637 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)nn1 761012356 RDKWLAYIZGYJGD-MCIONIFRSA-N 433.469 0.780 30 20 ICED C[C@@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)NO1 765375846 LAWLZWXGSGGMSY-MVVQPTODSA-N 429.520 0.619 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767953586 SVWNZJIWZSIYPM-UHFFFAOYSA-N 442.541 0.257 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc[nH]n1 773234369 XAPSOMSKOPPRMQ-UHFFFAOYSA-N 441.452 0.505 30 20 ICED C=C(Cl)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773574842 HXIKHSRBFYAIBY-UHFFFAOYSA-N 425.916 0.843 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C#N)cn2)c1 782025082 DILVQCCQLNOEMX-UHFFFAOYSA-N 429.502 0.970 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 786081632 NGHXAHYEMDMNRU-UHFFFAOYSA-N 432.458 0.380 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@@H](C)O1 787200286 UDTVFFOLWXUUBY-IYBDPMFKSA-N 437.504 0.806 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)c1C#N 788536761 NRNJDXXSQRATIO-IAGOWNOFSA-N 426.502 0.953 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 791189462 XUVGPRITZDQCBX-UHFFFAOYSA-N 429.502 0.840 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)[C@@H](C#N)C1 795123820 CIBYNCPTJAEPCY-LBPRGKRZSA-N 430.508 0.619 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 813565071 RHEBGAFQJWOKEC-WCQYABFASA-N 443.489 0.975 30 20 ICED CN1CCN(C(C)(C)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251856976 WBJWVWJXOAYVGR-SFHVURJKSA-N 426.521 0.905 30 20 ICED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cnn1C 1360970954 OCEJTVNPIUGNFI-CJNGLKHVSA-N 436.542 0.297 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 1510292978 CAGILVRPJFKRJX-JKSUJKDBSA-N 438.554 0.778 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1512580933 NULPWBGNDOBRMP-YYFZDKIDSA-N 447.517 0.617 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)COC1 1541207088 APFNXZBTJRJZPH-GJZGRUSLSA-N 434.497 0.804 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1611308711 SJZLEGJECJKFPH-KGLIPLIRSA-N 429.568 0.743 30 20 ICED CO[C@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCS(=O)(=O)C1 1632253939 VDKQNJOJRGEVEW-HXUWFJFHSA-N 429.502 0.801 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2nnnn2CC1 1638279150 YYBDLOUJAMJDIQ-ZFWWWQNUSA-N 431.522 0.792 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc4n3CCCC4)CC2)cc1 1659432672 KHEUADIQMYLUFU-UHFFFAOYSA-N 435.531 0.786 30 20 ICED C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1693845344 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C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781114138 HDDKZKHKKZHOEN-YZZKKUAISA-N 449.548 0.848 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c(C#N)c1 1781173231 AKHVPUUJNRVCKM-OAQYLSRUSA-N 425.445 0.682 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1781384098 ZZHSYHXSQGARRL-PXNSSMCTSA-N 448.582 0.221 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1782358739 YCZILCWSODCISJ-ZJSXRUAMSA-N 446.592 0.858 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1783048073 OREXLGSGDYLMCB-MBSDFSHPSA-N 442.516 0.981 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1783681052 WKYKFVJHXHWZDR-ZVZYQTTQSA-N 448.545 0.769 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1784491492 GGADTZBYJQFSBN-BXWFABGCSA-N 445.520 0.203 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1784928640 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30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1792145548 OOPNUFKOBZWWDF-LAQRGFTBSA-N 428.445 0.025 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793417980 BLIAVYCPXOCLIP-MUJYYYPQSA-N 437.493 0.644 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793802077 WOMAKUNYSCIPRC-XEMDLRDOSA-N 433.553 0.260 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C(F)(F)F)cn1 1794098641 RACZSQGZCDPORJ-DBWKPXFBSA-N 439.390 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2O1 1797224625 CSTULLJEZICQMS-XXUKVSDYSA-N 425.485 0.438 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1797758990 QQEVYDJTJHEALU-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260775 SAKCWEVLKPXJTJ-AYDFFVQHSA-N 431.555 0.436 30 20 ICED 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C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1831435038 JIQRPBCASROVIL-JTSKRJEESA-N 428.489 0.995 30 20 ICED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1)[C@@H]1SC(=N)NC1=O 1831669638 VYDNBBQIJTXUFQ-JDFRZJQESA-N 434.518 0.497 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672538 ZZGIZXDXGQUQDH-CRAIPNDOSA-N 437.493 0.537 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)cc1 1833159645 LFXLEVAGDITFFB-XMMPIXPASA-N 449.511 0.980 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833426293 DJNXBTAWVMTUAV-UHFFFAOYSA-N 437.504 0.016 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833679461 YYDBTEBWASCAEA-UHFFFAOYSA-N 441.479 0.321 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006373 LSFFUGIDHCBSPS-QNZROTIXSA-N 432.477 0.681 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C1CC1 1834753632 NEUOSQJSJOZLJE-OAQYLSRUSA-N 436.509 0.756 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1834755959 OIKUCQABLBMTFR-OAQYLSRUSA-N 426.473 0.775 30 20 ICED N[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835098696 OLOYIPQOCSUFEX-WIOPSUGQSA-N 448.523 0.980 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1835111049 AFYLZDYYYPQYNC-KBXCAEBGSA-N 433.578 0.774 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1 1835115144 JPQANQCPEKRILI-CVDCTZTESA-N 440.500 0.226 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835355051 QMHSDMIZDSKTNE-JTSKRJEESA-N 432.521 0.538 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835580218 SQOGBBBMBVVYHZ-JTSKRJEESA-N 433.480 0.732 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccnn2)CCO3)cc1 1836203419 CVVJCCZJZSPNPQ-JOCHJYFZSA-N 438.488 0.239 30 20 ICED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(O)c1 1836247059 QWKWGOSAFSEXRW-UHFFFAOYSA-N 429.473 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn4cncc24)CCO3)c1 1837114325 DUVUJSUDJFHQAT-QFIPXVFZSA-N 434.456 0.918 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525811 ZJDHCYIGTZEMPX-XCKVFWMBSA-N 435.481 0.019 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526581 UZHPZUDLGQEYRX-YQWSLUAVSA-N 443.566 0.926 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837564600 ZAIDBWWXNHRBSA-HBRDKIMXSA-N 446.420 0.100 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1837564602 ZBJKUYHPALMVRX-MHRHTVJOSA-N 428.445 0.102 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1838906763 DMYVLRYNUBBJMS-URXFXBBRSA-N 449.511 0.593 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839227176 LTQMDFMPGFJJFA-AUSIDOKSSA-N 449.548 0.942 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518423 WPTSHMRCXLMTLB-OAQYLSRUSA-N 440.460 0.249 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839648551 RURLLLFRAZTUKO-FADXNGITSA-N 440.500 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839683956 RXDUXEOFKCWJKU-CKJXQJPGSA-N 442.509 0.578 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1840161170 GMFQYULZJZKVGO-GRDNDAEWSA-N 435.637 0.804 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840164780 GVYGKVMOLTWWFY-JOCHJYFZSA-N 448.541 0.964 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840583558 VVXJAIMUXAFMPU-GTZKWBBTSA-N 449.596 0.787 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5CN4)C3)C2)CCC1 1840813795 WUTSLQLAPMBLCU-GBXCKJPGSA-N 438.528 0.851 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840841023 YYRSOQPWPPILMX-LTDXDOBXSA-N 439.512 0.729 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673744 YTYMXUZERIBTEJ-UHFFFAOYSA-N 435.484 0.605 30 20 ICED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845139240 SOSFJRNFRZCCBA-UHFFFAOYSA-N 429.546 0.797 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)O)cc1C 9084139 LRFZUIBLUZNHJQ-BPAFIMBUSA-N 439.534 0.929 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 63854355 YQYGPVKXKUBIBO-OAQYLSRUSA-N 425.533 0.383 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4c(C)noc4C)CC3)CC2)o1 65545048 CDIHVLSLLNMCFF-UHFFFAOYSA-N 427.509 0.926 30 20 ICED CN(Cc1ccccc1Br)C(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 410127635 CCFPJKGXVLQAKX-CQSZACIVSA-N 445.339 0.856 30 20 ICED CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 427849008 DNJUBOXOYQMJQD-MRXNPFEDSA-N 430.896 1.563 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 431962980 ILMOKSRTWHQWBQ-UHFFFAOYSA-N 435.488 0.781 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442014028 LAGYESGWTHZMFI-INIZCTEOSA-N 434.412 0.755 30 20 ICED N#Cc1cc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)ccc1OC(F)(F)F 442929260 CNOOIVNVXMCOAH-UHFFFAOYSA-N 431.352 0.801 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)cc1 447421150 FIWOEAMWNQXSKY-UHFFFAOYSA-N 444.532 0.927 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 465416631 KSHQDPLXKMUMEE-CQSZACIVSA-N 434.460 0.554 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(=O)N(C)C 465509169 STSDRFHRGSYDCH-CQSZACIVSA-N 444.517 0.958 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 469097721 XIOGYDKOIYYIQI-AWEZNQCLSA-N 433.534 0.935 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 480798409 ZNWCDLNBOSISJI-MRXNPFEDSA-N 447.561 0.238 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCN(C)CC1 481166751 GFNDLQCETNFOAB-MRXNPFEDSA-N 442.545 0.688 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 482811504 MDUYKMWZXBGLOR-HUUCEWRRSA-N 439.501 0.624 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)CC1 484019036 PTGBKTFNYDRVKX-UHFFFAOYSA-N 436.534 0.092 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 484380750 FSSODOLKIYKPFT-MRXNPFEDSA-N 447.459 0.606 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 488995118 HKDAPDJCSFQWMO-CABCVRRESA-N 428.514 0.271 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508721844 AWGGRCDXLGGMNN-SJORKVTESA-N 436.582 0.499 30 20 ICED C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508870606 AMLUBMLYZJDXSF-UHFFFAOYSA-N 445.491 0.857 30 20 ICED C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N1CCS(=O)(=O)CC1 520234521 MFZNVFWHDZVPKH-CQSZACIVSA-N 441.531 0.139 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 531382145 CIUCKRDVZDOKIA-LJQANCHMSA-N 426.583 0.493 30 20 ICED CC[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)N1CCOCC1 543005210 MMUXYJBARPLONU-OAHLLOKOSA-N 428.424 0.575 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 557306736 WCCVAMHOFDWRJV-VVFCZOMOSA-N 444.517 0.437 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 560604057 MKDAKMDRNOYQOL-LEWJYISDSA-N 425.533 0.576 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 564380357 SZYIDMBNPPOSKB-UHFFFAOYSA-N 448.553 0.253 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)CN1CCOCC1 565368128 UVVUWSLUKYHGQK-QFIPXVFZSA-N 439.472 0.883 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cn2)CC1 568419619 UBQXZXQIHXDJPL-UHFFFAOYSA-N 447.543 0.670 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1 571311053 TYAMARAJAVLIJB-SFHVURJKSA-N 431.512 0.357 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O 575241624 RBTKGNLMVQENBW-UHFFFAOYSA-N 447.879 0.087 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 581966066 LJJZIYVMTYCRIL-UHFFFAOYSA-N 427.498 0.758 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 586874848 OHRQHJKHUFDYEG-UHFFFAOYSA-N 436.472 0.530 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 606078265 PSJITTGHDCTUGC-UHFFFAOYSA-N 437.522 0.768 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 725762261 JDQBLVUNBFMGBW-UHFFFAOYSA-N 431.489 0.366 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1cccs1 726584289 PZEPDANXXCBZRA-ZDUSSCGKSA-N 443.554 0.580 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)c2)cc1 726856410 KWZZKCGIBAGSHN-HKOYGPOVSA-N 446.533 0.920 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)CC1 728533123 VUOHQMFQMQRMFB-SFHVURJKSA-N 446.573 0.440 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCCC#N)C1=O 728780151 OKVRTLZQIIZGOF-CYNURGJPSA-N 437.547 0.964 30 20 ICED CN1C(=O)c2ccc(NC(=O)COC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2C1=O 741341037 ORJYIESQTNSOGI-ZCXUNETKSA-N 426.385 0.311 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)C1=O 741740640 OYUJWFDTFXXUGU-MRXNPFEDSA-N 431.470 0.924 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)c2OC)c1=O 758049385 BQNJGDNVVWCWAW-UHFFFAOYSA-N 425.510 0.835 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 769374501 ZMWLWACFEMYUPA-UHFFFAOYSA-N 436.459 0.139 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 772167451 ZNGZAURLMCNUFJ-UHFFFAOYSA-N 435.502 0.130 30 20 ICED C=CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1=O 788765510 LTUZHJUDEAFLFO-UHFFFAOYSA-N 426.410 0.582 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(Br)cnc4C3)CC2)o1 796043998 OFSJYHUJKALJME-UHFFFAOYSA-N 434.298 0.978 30 20 ICED C=CCN1CC[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1=O 798571749 CRDFCNNTXJFWRK-SFHVURJKSA-N 435.502 0.483 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1C#N 810421125 ULOXOIXQHKGXRK-UHFFFAOYSA-N 427.421 0.989 30 20 ICED CN(C)CCCOc1cnccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 811532609 FODOZOWXCRSIBQ-UHFFFAOYSA-N 431.518 0.767 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)CC2)o1 915391010 BDTIHOWLEJMDLL-GFCCVEGCSA-N 443.382 0.457 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1288526402 UWQZMZPRVLAZMS-JKSUJKDBSA-N 425.559 0.445 30 20 ICED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 1317718080 LXSMWBOQXJDGLJ-HNNXBMFYSA-N 427.596 0.888 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1541945767 LIGHAHWUKLTSGS-GJZGRUSLSA-N 426.543 0.702 30 20 ICED N#Cc1cn(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(=O)nc1O 1542478405 YSFWEPORVLFLAR-UHFFFAOYSA-N 443.485 0.584 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1596288772 IQJORMXGRRNDGB-OAQYLSRUSA-N 426.500 0.870 30 20 ICED CCNC(=O)C1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CCC1 1615927983 TZLBFMYDRXCFCH-HRAATJIYSA-N 432.525 0.965 30 20 ICED CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1629133160 XXKVCGFWJLBOGQ-ZDUSSCGKSA-N 425.511 0.119 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1723643926 PFOFSKDTNBCMCG-JOCHJYFZSA-N 441.536 0.756 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778850345 ZEQVUNATABTURU-OAQYLSRUSA-N 439.476 0.343 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1778973619 MLLHCPIYAOXSKP-AVRDEDQJSA-N 442.553 0.459 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779058739 WIRCJCDNWSNNFW-OYIQWKTMSA-N 446.508 0.636 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](OC(C)=O)C(C)C)C1 1779204016 VNSYMRSDQTXLBS-BVZWPEJXSA-N 449.548 0.946 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425241 IGWMSSVWALDZGL-RFFSMVSESA-N 429.477 0.177 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(C#N)c1 1781175214 DSVBVHKRTVKLMD-QHCPKHFHSA-N 437.500 0.915 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784093 CHUPAMNGXQVMHQ-KKSFZXQISA-N 448.545 0.524 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2)C(F)(F)F 1781802566 LZDCOSPAAGQBCH-PSTGCABASA-N 432.399 0.217 30 20 ICED COc1c(Cl)ccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013292 ANSVPINHZZQNKU-JLTOFOAXSA-N 435.864 0.959 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4n(n2)CCNC4=O)C3)CCC1 1783124830 RELCMRXPEMAAOA-VGOFRKELSA-N 440.504 0.448 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783849834 FGUFMYUCDPYQCX-PNCHPQGNSA-N 446.548 0.854 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1784592013 UIJVMDHGSQVUMG-KNTRFNDTSA-N 426.517 0.982 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1785014737 JJTMPEITMIHXOG-BPUTZDHNSA-N 431.518 0.947 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363504 MAWYAVWUAWAMPP-BTYIYWSLSA-N 436.509 0.396 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n(C)n1 1786027360 KESTUKAGIQCQGU-YTZZXDFMSA-N 433.509 0.851 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)cn1 1786694720 HYSWXDPATCJLNC-SZMVWBNQSA-N 446.529 0.523 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788570656 GESSNNCOUBGRKU-XSLAGTTESA-N 425.595 0.588 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1788574633 HFFTXLOQYQPCNR-LAQRGFTBSA-N 427.505 0.896 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1788652299 AVWYGXYNABHDEL-OLJJCBBESA-N 433.465 0.305 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679741 KLSWDXTUOKWRGI-ZROHFVPJSA-N 426.473 0.691 30 20 ICED CN(C)c1c(F)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1F 1791078302 TYHDPDJPHNFHPD-JDFRZJQESA-N 435.427 0.712 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793841551 YAHPTIOTLVLIDT-QKPAOTATSA-N 435.477 0.349 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1793863604 MLNMBRBSZKJLOW-CCWDJLKJSA-N 436.468 0.566 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(=O)oc3)c2c1 1794996300 HIIDIOKHXHKHDC-CCWDJLKJSA-N 433.424 0.905 30 20 ICED O=C(CCc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795805560 ACSMNBLLHQLNPA-PUZBOVKYSA-N 431.493 0.528 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797837713 IPIMRUISMXWDDH-MEBDHWGESA-N 436.468 0.845 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1 1801267403 FDKWTNJEAHFGGE-PTQWQHRMSA-N 433.465 0.728 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C#N)c1)C2)C(=O)C(=O)O 1801330453 GMJGHQHOUIJYQY-MUJYYYPQSA-N 430.436 0.421 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991209 HERHVMFRTMJTJP-RMFSNUHRSA-N 439.516 0.809 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1803549272 WHGYHSXQYIQRBV-UZKOGDIHSA-N 427.549 0.373 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804131169 YXGXFTPSLIFGOL-RDGPPVDQSA-N 428.489 0.726 30 20 ICED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811789962 AJCCDUDEDXNIGI-NQIIRXRSSA-N 446.467 0.825 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812388619 LQVOXARHSOWNOR-XIRDDKMYSA-N 436.534 0.585 30 20 ICED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816675352 NIBJTWOVDVMVOR-JTQLQIEISA-N 426.462 0.298 30 20 ICED CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)NCCC#N)n[nH]2)CC1 1817318686 XVDOZVGKIZFSHQ-SFHVURJKSA-N 444.584 0.931 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819394569 OTXNXIQYXCIMGU-LBUCYNEDSA-N 447.540 0.524 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1829262457 QZEUJHGEWTWKOV-JPYJTQIMSA-N 438.484 0.350 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c1 1830457758 FCDZXVWQHOYIPP-HSZRJFAPSA-N 437.500 0.995 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831022660 KPRUUYAUJHKJND-JOCHJYFZSA-N 431.489 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1831401634 DVJJLNAQEWEKMO-FDDCHVKYSA-N 428.485 0.672 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831402274 SPHSWGHHZGLNGZ-LAUBAEHRSA-N 426.510 0.270 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831406754 CVXSZHXMEYMMON-JOCHJYFZSA-N 436.553 0.707 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1831491096 VQGJBWSFDFZNGX-YLJYHZDGSA-N 438.550 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1833075237 YKSHIYIPPXAHRS-JTGQJZMRSA-N 445.564 0.107 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833446917 UKKAKWZIUBHWPK-GOSISDBHSA-N 428.436 0.710 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833509365 FYMNZQWZFVTZMG-QFIPXVFZSA-N 437.456 0.741 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3OC)CC2)CC1 1833967651 CXMCCFXYLIPFSL-MRXNPFEDSA-N 429.521 0.709 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)c1ccccc1F 1834765248 BNUWWPDEIZUXBY-YADHBBJMSA-N 446.479 0.547 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1834827459 NKHLEBSJAALKQJ-XXBNENTESA-N 430.501 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944484 OMDVCONISPDJJU-JTSKRJEESA-N 441.488 0.146 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836958539 NOSOPWDFDDXJQO-JOCHJYFZSA-N 426.448 0.957 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1837399434 TUKSVNLJXXTHFD-NPPFBWRTSA-N 440.537 0.604 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837796447 NNRAMCRUBAAABW-HXUWFJFHSA-N 444.536 0.759 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2NC1=O 1838588337 QVGIYRLLTHUYAD-SPLOXXLWSA-N 428.445 0.390 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)ccc1F 1839189491 OLIPDTMZHZGYPG-QFIPXVFZSA-N 429.448 0.675 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425090 LPFUVFKWKRBTPW-FQEVSTJZSA-N 434.880 0.418 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452053 DQSCWDOSHIXHAT-SBUREZEXSA-N 442.516 0.804 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1839453005 JGCMPHZPQICPAZ-JOCHJYFZSA-N 437.456 0.334 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5ccnn5c4)CCO3)C2)c1 1839570809 JGRYPLVGEKMULR-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839889547 ZSRJUXIRTBYIIM-LJQANCHMSA-N 438.431 0.688 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840163214 FJHSAZKOXUCWJN-RRMPHLOHSA-N 432.546 0.527 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)C1 1840453311 HFAVYAIIYUFTTI-FHJLPGHOSA-N 447.532 0.878 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1840788590 OAAYVNRYGQHZQK-HSZRJFAPSA-N 440.500 0.762 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841582417 GYJDPZJEXVDADC-INIZCTEOSA-N 425.551 0.216 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846331049 DYYKBMWOLTXWHB-AWEZNQCLSA-N 442.538 0.431 30 20 ICED C[C@H](C(=O)NC1C(C)(C)C(NC(=O)[C@@H](C)n2cnc(C#N)n2)C1(C)C)n1cnc(C#N)n1 409762722 BPCJRIWFQDSXCY-SKLAPFLYSA-N 438.496 0.471 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 426160680 JZZKLKCQGGHJKT-UHFFFAOYSA-N 429.502 0.735 30 20 ICED N#Cc1ccsc1N1CC[C@H](Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1=O 433693085 BQOWKOKZVNEAOE-INIZCTEOSA-N 445.526 0.958 30 20 ICED CC(C)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437951224 VMKNYSUFLDBMSE-PKOBYXMFSA-N 441.488 0.763 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 447447358 CPWGYPWEEIFRCK-KGLIPLIRSA-N 427.404 0.971 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1cnn(CC)c1 481975221 GDCVJQPXYIIRIJ-UHFFFAOYSA-N 436.522 0.854 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 489008556 WXUJJWUCZJQXCJ-UHFFFAOYSA-N 432.933 0.052 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccccc2C#N)c1=O 489010785 VRLFKGUCWSJBCR-OAHLLOKOSA-N 431.477 0.613 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)NCCc3ccccc3)n2)cc1 492723396 PZBUUYRPKLGEGU-UHFFFAOYSA-N 431.456 0.612 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500826726 JGTPKLFCHDUPIG-GOSISDBHSA-N 437.566 0.999 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C1CCN(C)CC1 516372054 PPTREGUGUJKZSY-AWEZNQCLSA-N 446.598 0.892 30 20 ICED C=CCCOCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 534594825 MLXVUTMAKXJMIS-OAHLLOKOSA-N 431.536 0.866 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 539130913 QKYGHBUMCRIGHX-UHFFFAOYSA-N 448.480 0.946 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)CC1 540261995 CNLKGXIBRQQWEW-UHFFFAOYSA-N 437.518 0.972 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 550521507 PTAMTTLJJDQXOC-UHFFFAOYSA-N 449.511 0.990 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 553038443 CWTQBCNSYFLMEE-GOEBONIOSA-N 442.563 0.355 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 555270765 LBCCNLDJMXXQBX-HUUCEWRRSA-N 446.599 0.469 30 20 ICED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 556109405 HWPOXXOKDZOAQU-HNNXBMFYSA-N 442.476 0.292 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n(-c2ccc(C#N)cc2)n1 556539353 PWKDQQSSWDAGHK-HNNXBMFYSA-N 449.471 0.743 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 581761879 KVQMTZDKPAMFKI-HNNXBMFYSA-N 443.481 0.963 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 582695906 MKNIHAZMASVBRH-LJQANCHMSA-N 428.514 0.720 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603986127 OBNWQSRFKDNRGK-UHFFFAOYSA-N 425.510 0.686 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606031443 JZMCXHPGFSEHSU-UHFFFAOYSA-N 441.513 0.371 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1Cl 609533371 XLQOUEHLGJSIIF-AWEZNQCLSA-N 428.898 0.755 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CCS(C)(=O)=O)nnc12 728027086 IKIRPVLMVLQLQH-UHFFFAOYSA-N 435.531 0.825 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC1CCOCC1 728096168 VFEMLQAOKFRZCN-QFIPXVFZSA-N 427.457 0.990 30 20 ICED CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 732910499 QOHWATSXFJGKJZ-HZPDHXFCSA-N 425.894 0.873 30 20 ICED COCCN(CC(=O)N(C)C)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 733163629 PQQGOGZRPPYNIU-INIZCTEOSA-N 438.550 0.703 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 733364875 SRNJIRAKDVGVHS-UHFFFAOYSA-N 425.533 0.428 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 743891129 BXZYPZJUENUGQU-UHFFFAOYSA-N 425.420 0.619 30 20 ICED C#CCN1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)CC1 748809724 IHCZQDGUVXLOCY-LJQANCHMSA-N 429.517 0.944 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 756029622 JHXQXCOEPRXOKF-HUSAPJIJSA-N 443.551 0.784 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758050006 MMLTXPQQBBOGKC-UHFFFAOYSA-N 437.477 0.406 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 759951462 IOZLSAHOJDIMCS-OQCHKFKFSA-N 443.551 0.784 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 762934709 CJYIZQDVYKAVQR-CHWSQXEVSA-N 444.469 0.894 30 20 ICED N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 764371655 IXIKSQNTPKAUHC-QZTJIDSGSA-N 439.559 0.420 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764829958 GOMJZMOPIDMQID-CQSZACIVSA-N 427.486 0.800 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 766560341 QFBDGZKIQAJOSB-VKEPEHDUSA-N 444.517 0.835 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 766989300 XFTLQVPZDOASKD-HNNXBMFYSA-N 427.442 0.492 30 20 ICED Cc1ncc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(N)n1 767405001 HBPMPPOTXWNAAJ-UHFFFAOYSA-N 437.416 0.993 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nc(O)n[nH]2)c1 780085624 RABZCMWYCHKMQI-IWIPYMOSSA-N 449.493 0.358 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(-c4nc[nH]n4)no3)CC2)cc1 787594128 XMMSBLZCWMALDD-UHFFFAOYSA-N 443.445 0.870 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)n1 789788695 MWRJAVOTARQKGY-UHFFFAOYSA-N 427.461 0.763 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)CC1 790208088 HESYCSYJEBKJOH-UHFFFAOYSA-N 446.573 0.080 30 20 ICED CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCNC1=O 799847290 UNPWDUYIBFFEKW-OAZPQLMHSA-N 435.506 0.175 30 20 ICED CNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 917524620 BPFXKQYWYIHKCX-INIZCTEOSA-N 435.550 0.030 30 20 ICED C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918261625 WYWLIDOPUQIKHG-RYPAHKROSA-N 432.506 0.839 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 921130847 DZNZAJQWPPFQJJ-UHFFFAOYSA-N 425.283 0.921 30 20 ICED CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1170017981 LWXAMMCCXGTXEP-UHFFFAOYSA-N 444.469 0.705 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@](C)=O)CC1 1288820182 WLFBDUNJAOJKPK-QWVSSGJLSA-N 428.584 0.929 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314541494 LVSCYVTUNGOLBR-UHFFFAOYSA-N 432.554 0.851 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315427133 PDTSOAROSRWZHP-YJBOKZPZSA-N 446.533 0.964 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1545776750 KSPLNSHQJHXLKN-CABCVRRESA-N 444.517 0.358 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCOCC2)CCOCC1 1638730130 UOOGEQKYAUEISX-UHFFFAOYSA-N 436.534 0.113 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1705747355 LBEZZJCUSVWLDK-NSHDSACASA-N 427.918 0.297 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNS(C)(=O)=O 1705748421 NLEURNHDHKSKIE-UHFFFAOYSA-N 437.917 0.659 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722543152 MMKLKCBFBRBSLM-ZDUSSCGKSA-N 445.977 0.041 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1729312396 RQZOFTLUGZATDJ-UHFFFAOYSA-N 427.509 0.585 30 20 ICED C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760372820 XLTIQFZYNXBGMQ-UHFFFAOYSA-N 432.916 0.468 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1765879610 JIPRMIJAEDVNJH-WMZOPIPTSA-N 427.502 0.949 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1766441781 LHNFWYGTPLYZQB-GHTZIAJQSA-N 444.561 0.897 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1 1766731444 RGNBOCGXOZBBCN-KRWDZBQOSA-N 434.522 0.893 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778117709 SWIVNNNJWHVLCZ-OAQYLSRUSA-N 439.578 0.682 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1778781656 OJBAMZXKWODVDN-GHTZIAJQSA-N 449.891 0.586 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298628 MAAXBAWVFYHSMV-DYESRHJHSA-N 431.468 0.517 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009317 LJTVOSYBWCKJGV-RADWXHQJSA-N 428.489 0.594 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1783677000 QRKXZPKHNOFVDN-ZVZYQTTQSA-N 431.468 0.562 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1783766254 ILYWSESMPFZPMM-IIBYNOLFSA-N 448.524 0.577 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622257 XKDJZGPHRAUFOT-OHHLHKLTSA-N 429.477 0.849 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784668416 JPIBNKXODZJRCB-BXWFABGCSA-N 437.456 0.726 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1785376665 XZDNRYNEQDMYQX-QFIPXVFZSA-N 439.472 0.823 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(O)nn4)[C@H]3C2)c1 1785845183 OIZQTQOQZOTEAV-FNHZYXHNSA-N 437.456 0.970 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n[nH]1 1788658959 QYVACIYFFRVCJK-WERRIATBSA-N 433.509 0.769 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706184 SEGKWXIUEGRVPK-QSUVVDIXSA-N 429.521 0.787 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)C[C@@H]21 1790792329 JJHRQZLCSRNANI-BVSLBCMMSA-N 444.576 0.322 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3OCCc4ccccc43)C[C@@H]21 1791072319 BXPWYLRRRDSTBS-FFGOWVMKSA-N 426.469 0.758 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791527044 VVLBWYVGNAYZTF-YLAKUSLOSA-N 442.564 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796284686 OSBAHACYOUEYMT-CCWDJLKJSA-N 445.472 0.565 30 20 ICED CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1797808963 UAGNVBRCVZSSQN-COGMPDBYSA-N 433.465 0.345 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1797811372 MATKOPPPRRADLU-PDJFEZEYSA-N 448.476 0.128 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1798396602 CKRBDYANKXZZAS-IVSAIRAKSA-N 425.489 0.914 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1Cl 1798588352 ADZJHHVXMBWDJG-ZSBFGKGUSA-N 432.864 0.867 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)c1 1798859370 MDXWADBPDXVKSL-ALXJQNPVSA-N 432.440 0.824 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2 1800454887 NYBDDVQWIZNDDO-HBCWATKFSA-N 439.921 0.231 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)ccc(Cl)c1O)C2 1800779780 VNYGLZPEXWQRKU-WRBXQSRGSA-N 427.240 0.990 30 20 ICED C=CCC(=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 1800996865 YWNXLFHXZWEFKG-OYNZLANYSA-N 437.537 0.770 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1Cc1ccccc1 1801192837 LLTLQZGURIVZPN-WEMPKCCASA-N 425.485 0.329 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1801601720 WGNXRMKSLADIJF-BTTYYORXSA-N 439.476 0.398 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1802487109 FSHLBNWWYQXIRB-VDXKNXLBSA-N 435.484 0.893 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807611730 YKHYRXGURGPGQA-NANFTHHLSA-N 442.480 0.303 30 20 ICED O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807683359 RTPAMXHJJWKFQZ-IVMIDTGUSA-N 441.492 0.908 30 20 ICED Cc1nc2ncccn2c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1809301229 NBMLHZYHFXWNBQ-OXQOHEQNSA-N 432.440 0.840 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C1 1809684210 NKUPCXGWPGCBCI-OENGKMLESA-N 437.541 0.339 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3snnc3c2)[C@H]1c1cccnc1 1812877516 KCAXFPLAZRFIOZ-ACJLOTCBSA-N 436.453 0.889 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1814971299 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C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1832456393 QFKDOVADYVJYRB-HXUWFJFHSA-N 431.518 0.947 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1833232089 LSRHLABAXBRSGU-NRFANRHFSA-N 440.460 0.079 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1833467751 YJDUUKSQBUIZNH-WOJBJXKFSA-N 447.624 0.232 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833480427 HONFUWFQPNORQD-BTYIYWSLSA-N 437.468 0.890 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833895907 LNOUBEIRRJONOF-HNAYVOBHSA-N 426.539 0.765 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1834570423 JNSSDHDTOQNSQR-UHFFFAOYSA-N 432.546 0.788 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C(=O)N(C)C)CC3)CC2)c1 1834634474 UMNXOZJFSLDTTJ-UHFFFAOYSA-N 441.532 0.840 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834895982 RIIVRYPKFYPEJV-UHFFFAOYSA-N 430.557 0.132 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CC1 1835338555 LDDDLWAIRNZOMW-SBUREZEXSA-N 444.532 0.538 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1835513690 BKCFIRHEVPCXIK-HXUWFJFHSA-N 431.518 0.563 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)CC1 1836048628 VZLAILJCGBZMFM-UHFFFAOYSA-N 425.493 0.064 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022270 HOWYZDXBVDPBRC-GAJHUEQPSA-N 438.484 0.738 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247684 BTNFRNWZNLWZMZ-WYTZPYIFSA-N 425.551 0.232 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837403994 YHTNQGPFRFDIRB-GCJKJVERSA-N 434.489 0.741 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1837489528 LMSFZIRLHVXZLX-JOCHJYFZSA-N 430.505 0.038 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527587 QHUYFJJXZDAVHT-XNTMEURJSA-N 440.541 0.360 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561473 NFPPNQPHECYYNL-WVYFQRGSSA-N 447.467 0.893 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1837731645 FMNYLKNMCPPXED-WOIUINJBSA-N 437.537 0.362 30 20 ICED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1837886227 SFJQJMTYRLYXGE-YJBOKZPZSA-N 440.541 0.849 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(Cl)nc4)C3)C2)c1 1838730620 COYSDCSWDOVMPW-LJQANCHMSA-N 430.852 0.714 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838907425 SABYJDPWQIEEEK-HSZRJFAPSA-N 446.467 0.985 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC(C)(C)O)C3)C2)c(C#N)c1 1839132200 YSDYJCPFUKTJMG-QHCPKHFHSA-N 445.516 0.727 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(Br)CC2)CCO3)c1 1839207131 KWXSVZLLFSZSJS-QGZVFWFLSA-N 437.294 0.884 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273867 RMNJCIHRBKXTIW-HXUWFJFHSA-N 432.433 0.920 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419928 CMQDJNKEERWNLA-OAQYLSRUSA-N 433.436 0.721 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450795 HLRBWNOSJHYZGU-SBUREZEXSA-N 442.516 0.851 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccc4o3)CCO2)C1 1839499992 JUZGYTUODDBJJT-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1839809080 DPWUTNXOGCEDAW-FQEVSTJZSA-N 431.401 0.085 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1840043229 MBBRLKCXVIIDBZ-QFIPXVFZSA-N 438.440 0.235 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840199484 BOIIGKNKZUSXSZ-GJYPPUQNSA-N 431.555 0.358 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840498247 XTZACXYKIMJJMK-QHCPKHFHSA-N 436.468 0.972 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)cn1 1840818975 IFQSKDXENAMSSW-JOCHJYFZSA-N 439.472 0.441 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1840845288 SJOILXWIPZXHFF-QHCPKHFHSA-N 444.484 0.722 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840851110 JZTRZHAZXSKUQL-DENIHFKCSA-N 439.553 0.730 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842255569 PYKGTGYRFICQKB-UHFFFAOYSA-N 435.502 0.812 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)C#CC4(O)CCCCC4)C3)cc21 1844282881 PVCODHKZZCAUDJ-UHFFFAOYSA-N 439.516 0.532 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)nc1 432965917 ITFNYQOLYCRJAW-MRXNPFEDSA-N 425.449 0.694 30 20 ICED Cc1ccc(Br)cc1NC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 439178872 NLDYTNJWMNHLGF-UHFFFAOYSA-N 433.266 1.561 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)C1=O 440271685 VEZZISRHCVPQIB-HNNXBMFYSA-N 436.896 0.991 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 444512927 XDMDYISBGHVFOJ-UHFFFAOYSA-N 432.843 1.512 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 447788909 RSNHFUKGDQHWFC-UHFFFAOYSA-N 428.580 0.677 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 461606746 GTOJXZXZHJHCOB-NSHDSACASA-N 429.458 0.760 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 463348696 MXPYGXTVQNLWAX-UHFFFAOYSA-N 435.506 0.980 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 464189084 GDZBODGXXKRZDU-OAHLLOKOSA-N 429.520 0.382 30 20 ICED N#C[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[C@]12CCCCO2 468120538 KWDVQLHPNPSTQO-GHTZIAJQSA-N 446.529 0.875 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)CC1 477646821 FLNJCZVMODLHAC-MOPGFXCFSA-N 438.532 0.863 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC 480152578 CJIZURABNIUGNI-UHFFFAOYSA-N 430.486 0.884 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 488615358 AIHZOKLTTSLCKR-KRWDZBQOSA-N 433.424 0.745 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1=O 498741733 YUXZTZPKWYHRLX-UHFFFAOYSA-N 447.536 0.194 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1C(=O)CNC1=O 499924458 SSXSRFDMUHMKCJ-UHFFFAOYSA-N 425.239 0.766 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506697248 PVCTYNHEECEWDI-HOCLYGCPSA-N 428.536 0.326 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 507425267 PMNNENKQXPSPDM-HOCLYGCPSA-N 446.533 0.802 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)n1 508368554 KMODKJNKGUITNW-XHDPSFHLSA-N 433.877 0.981 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 511341530 FXJWWYYSIVZXTG-HNNXBMFYSA-N 430.490 0.854 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nnnn1-c1ccccc1 513318865 FFFDXDDRTXPUME-AWEZNQCLSA-N 425.474 0.560 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 539352113 FSVBFPNURALAPG-UHFFFAOYSA-N 425.497 0.174 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1 551196720 ZLVJBIXFTNNZFS-KRWDZBQOSA-N 439.447 0.865 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 564010931 SFJULRPPIHXVCK-UHFFFAOYSA-N 445.505 0.350 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 574605149 ZWUDZOYTQABGSK-FPOVZHCZSA-N 441.576 0.460 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 579936561 VVJHTLJZSJCNJV-LJQANCHMSA-N 432.484 0.519 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 581761100 HDXRPLSRPYQGSN-UHFFFAOYSA-N 444.538 0.241 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C2=O)cc1 588865738 HGIXLLYEEZCKPO-VQTJNVASSA-N 440.500 0.824 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)c1 600878741 RWOFJWJPIKSVRP-UHFFFAOYSA-N 435.488 0.354 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)cc1 606018649 UIVHRBAJXTXVKK-UHFFFAOYSA-N 425.511 0.720 30 20 ICED CN(CCCNC(=O)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)S(C)(=O)=O 611552642 GJLWWYSRFPXPPY-SFHVURJKSA-N 425.530 0.406 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cncn3)C2=O)cc1 617092820 CBOSTFJHMMDKPA-GOSISDBHSA-N 429.440 0.995 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1 747249880 SBYNFIYPPTZAHV-HAHDFKILSA-N 438.510 0.986 30 20 ICED C[C@H](ON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749790553 IKASWTWVJYTKRH-WMLDXEAASA-N 438.550 0.319 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356694 GBJARIBHAIBXPQ-UHFFFAOYSA-N 446.529 0.479 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccn(C)c3)c2=O)CC1 763460451 IYCDFQYYLISERX-UHFFFAOYSA-N 425.558 0.640 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCCO1 763465576 KCRVHSPFBHTRSZ-INIZCTEOSA-N 430.530 0.083 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CCN1c1nccn2cnnc12 771241128 XXFZEENTZNVTBQ-ZDUSSCGKSA-N 438.423 0.842 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2csc(-c3ccc4c(c3)OCO4)n2)c(=O)n(C)c1=O 771897733 QVHYJSCVGRTDJE-UHFFFAOYSA-N 449.470 0.249 30 20 ICED N#Cc1ccc(N2CCC[C@@H](OC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 778741087 IJKYZWOXIXGWQC-OAHLLOKOSA-N 427.442 0.567 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3COCCN3CC(F)F)CC2)o1 786943441 ANMDXKWFICEDHT-CQSZACIVSA-N 427.408 0.012 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCn2cc(C(=O)OC)nn2)C1=O 790001607 OLMDIOBQDSPANB-AWEZNQCLSA-N 434.453 0.972 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2C(C)C)c1=O 794645540 NQADAYCCICCWNI-UHFFFAOYSA-N 427.530 0.366 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 799286095 CXAJELVHXCZSFQ-CQSZACIVSA-N 425.507 0.553 30 20 ICED CN(C)c1c(C=NNS(=O)(=O)c2ccc(Br)cc2)c(=O)n(C)c(=O)n1C 807944963 XIZNEEZJQIBXKE-UHFFFAOYSA-N 444.311 0.225 30 20 ICED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918307590 ZWANPYCTBNJVIT-CJLVFECKSA-N 437.522 0.421 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1299313410 FGOSVZLEKPDEFK-GOSISDBHSA-N 447.540 0.734 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CCO1 1503783135 OQQIZJIMRZTNAP-GOSISDBHSA-N 440.504 0.985 30 20 ICED CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547253294 RNVZXWWMFIMPQA-UHFFFAOYSA-N 434.508 0.798 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1634500175 WKVOFRCEFDDRGS-UHFFFAOYSA-N 431.312 0.744 30 20 ICED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(=O)n1C 1693091476 PHBHJRASNQVQNT-CQSZACIVSA-N 433.538 0.684 30 20 ICED C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1743355311 KTYFFHGPYGCDAH-OAHLLOKOSA-N 431.518 0.982 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1770086988 MPYCSUAXEXDITP-QGZVFWFLSA-N 426.477 0.965 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771536460 TXKIWSDKSILLSS-MAUKXSAKSA-N 437.909 0.877 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863669 BLKCMILNEVNEEU-MWTRTKDXSA-N 440.500 0.359 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100893 FVTLRAICYXPLPR-ADSUZPRUSA-N 449.508 0.502 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134460 GXUMXEWKBJAQHA-HYEVGHBBSA-N 425.507 0.209 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1)C(F)(F)F 1779201566 STZZYOBTFHOXJX-HACGYAERSA-N 437.415 0.683 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1=O)C2 1779364333 UQHPAUJUDKMPJV-CBWPXHNPSA-N 447.580 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(OC)n(C)n2)C1 1780241591 ZFFFFAAZJZNPBD-GUEKAFECSA-N 445.520 0.415 30 20 ICED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1781473814 NBGDNPJPKSNNBL-JXXFODFXSA-N 441.598 0.785 30 20 ICED COC(=O)[C@H]1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1782163511 ADLJIDATUYJRIG-NRVIRDBHSA-N 434.489 0.568 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COc2ccc(O)nn2)C3)CCC1 1783127483 HOAYZNUWTLCFIY-QVKFZJNVSA-N 429.477 0.769 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1783557882 MJAOLZFRNVIKOL-QFIPXVFZSA-N 430.457 0.554 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21 1786857743 BKTBIKJDIGILQB-ZOBUZTSGSA-N 439.520 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1786860305 WVZDDYOWBXUQSL-SNRMKQJTSA-N 429.521 0.591 30 20 ICED Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1787047652 DTUGEVNSEKXLFB-GJPJSVEZSA-N 433.509 0.471 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788788904 MWJXUURQODNNHX-CVYDXHPNSA-N 430.505 0.557 30 20 ICED CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791306795 UEXBTEKVEYOVAI-NXOAAHMSSA-N 426.583 0.362 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1791478299 FQDVWMFNTKEHDG-QRTARXTBSA-N 440.460 0.384 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn13)C2 1792490907 SIXABVVEOZWTNP-BEWPNNSKSA-N 437.500 0.704 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1792635592 CDUOTZBHSSOBNX-XOIINTDNSA-N 437.493 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)c(F)c1 1794364487 AXHHYCXJRDDZOI-JLVBRIDZSA-N 435.452 0.942 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)cc1C#N 1795362496 BPYODUKOLCTTLM-XEMDLRDOSA-N 449.529 0.593 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597273 BLFULZZFMMUDEH-FTEYMNFISA-N 442.564 0.863 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298415 GJAYZYCMLCZTSF-QWCYLASJSA-N 425.529 0.625 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CSc2ncccn2)[C@H]1c1cccnc1 1807577020 QGFZERFFJFZBRX-HNAYVOBHSA-N 425.470 0.758 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CNCP(=O)(O)O)CC2)C1 1809773068 WISZBDXJTZMVKU-UHFFFAOYSA-N 443.485 0.224 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1812942161 VLFQFFAZBYMYHA-SIKLNZKXSA-N 433.505 0.417 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)c1 1815686217 IAAGEHJMAKGJHW-CYBMUJFWSA-N 438.473 0.936 30 20 ICED O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)C(=O)N1 1819475924 GKCOWWSBRPNWBB-PZEXIZOFSA-N 441.448 0.666 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913385 RZTNJQWEXSPMNV-MZMQKINNSA-N 434.585 0.671 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cn1 1829629788 GNIWWRPLQIZUQA-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831388356 XNFUSNKXCRHOKS-OPAMFIHVSA-N 444.488 0.148 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900463 TZEWDFUIZKRIHD-AWEZNQCLSA-N 437.543 0.554 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3c(C)noc3N)CC2)CC1 1833076018 KZCRGAVDEVTGKD-PLNGDYQASA-N 444.536 0.609 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833911178 GALZMSONJMFODS-UHFFFAOYSA-N 442.564 0.787 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834589509 BTNMAWKUWFIAFN-GOSISDBHSA-N 434.537 0.346 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c(Cl)c1 1834678233 QCDHHVXAHORAAN-UHFFFAOYSA-N 445.955 0.880 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1834763683 QYZFLTUSGLGWRG-HSZRJFAPSA-N 436.468 0.627 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)[S@](=O)c1ccccc1 1835346922 ZSOKIIHKUTWNBU-DZSAJCOCSA-N 445.541 0.943 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835617151 SHVDABBIPJMDDX-UZWDYZERSA-N 440.541 0.360 30 20 ICED Cc1onc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C 1835675016 IOPCQQHEMVPWDA-NRFANRHFSA-N 433.509 0.643 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)on1 1835675563 WLCSKKDQPAWJNE-NRFANRHFSA-N 433.509 0.264 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1835718299 JFGAWSOGAQMULB-GOSISDBHSA-N 443.610 0.566 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3cccc(Cl)c3)CCO2)C1 1835724052 IAVOUCXBOBTLJO-WVBUVRCRSA-N 449.935 0.835 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834430 NQADDCYGCIFZKS-ZWCUEREDSA-N 447.536 0.729 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1836858148 FROXIRPSBYCEIE-MRXNPFEDSA-N 442.516 0.831 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836995378 OVEOFMWXEPGDFO-HTAPYJJXSA-N 426.473 0.443 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1837183732 VXOCQSWUWPZHBM-OAQYLSRUSA-N 445.859 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837396989 QGEFQCMUECNTFZ-FDDCHVKYSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837440578 NLASNACOPYIZFY-HLQTZPMBSA-N 433.484 0.762 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443387 IJRUYIXPFBAQHG-IIHIVLJSSA-N 435.500 0.706 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525744 YXDXUHJTSGOMEX-YHAFYQSGSA-N 449.508 0.177 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837550302 XHNCURVTDINKBO-JOCHJYFZSA-N 446.504 0.363 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560506 ZEMOBLVGZAVGOK-NYNQOQISSA-N 443.504 0.819 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)ccc1F 1839189599 VBHPPVMOCVYSRA-SGAADRECSA-N 443.475 0.589 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5C[C@@H]5F)C4)C3)c2c1 1839487518 LRTPKZCETDIKKN-ZJTDPSCFSA-N 427.436 0.863 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1839807432 AEDUUWQXWVEBRE-HSZRJFAPSA-N 436.468 0.606 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#C)CCO2)C1 1839809750 KDHMASJUVPGBAW-WZONZLPQSA-N 447.532 0.773 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1839897622 DXPBXMLBVGBZDY-OKFCBPFISA-N 433.461 0.108 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1)c1ccc(O)cc1 1840220183 BMGTYVBCTNZPHF-LTMIRXACSA-N 430.501 0.726 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434678 IQVPXOUKZJFSOJ-PGRDOPGGSA-N 432.521 0.074 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1cccn1 1840441687 DSJNTWKDQWPASP-VWFYRTMBSA-N 449.508 0.430 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2 1840797847 OERKJVGUAOBNIF-MGPUTAFESA-N 441.550 0.332 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840819374 HDNKXJFPEPUJFG-OAQYLSRUSA-N 426.429 0.695 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)ccc1F 1840834201 CQHCKLIAOPKJIN-QFIPXVFZSA-N 429.448 0.675 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)N(C(=O)OC(C)(C)C)C1 1842881650 NFYCUJIPERRPFQ-HOTGVXAUSA-N 449.552 0.348 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1845130609 NYMPLIKPQZOTEI-INIZCTEOSA-N 434.537 0.975 30 20 ICED Cc1nn(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(=O)c(C#N)c1C 64026038 LMJDTLGRCHFQLV-UHFFFAOYSA-N 426.452 0.654 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCO1 410155890 VOWDXPQQBYDPQA-CABCVRRESA-N 432.499 0.038 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(O)(C(F)F)CC2)CC1 426252250 OLQBDEVSCKLBQF-UHFFFAOYSA-N 442.488 0.483 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)NCCO)cc1 426891424 YCKUDSHBNUOZAN-AWEZNQCLSA-N 430.486 0.515 30 20 ICED N#Cc1ncccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 428236364 FJPKEOBNKRSBCQ-UHFFFAOYSA-N 436.515 0.594 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 430558727 RBNOCCBDJPPJDN-MJGOQNOKSA-N 438.532 0.899 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 431989738 DIRGNEKSEMULDF-GJZGRUSLSA-N 449.533 0.303 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436598127 YSJHHSNCDRMVCK-HNNXBMFYSA-N 442.497 0.915 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)N1Cc2ccccc2C1 436644525 AATPPFMPPJPQMF-OAHLLOKOSA-N 443.467 1.433 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 438063685 RGRDKVREGIGESA-TVFCKZIOSA-N 430.571 0.649 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)C1=O 440270208 VTTGHABTWVZVLJ-INIZCTEOSA-N 434.518 0.719 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)C1=O 440274078 GQAZFVONGTXTDA-SFHVURJKSA-N 428.489 0.651 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440388134 WKVRDHLUKNEESE-MRXNPFEDSA-N 426.498 0.973 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 445184220 CTYISOZEHLTZDI-IRXDYDNUSA-N 425.445 0.824 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)n1 461783955 HDIOYAWFNFMBHU-UHFFFAOYSA-N 430.490 1.130 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1=O 463766784 GJOLBSMHCHDCOK-MRXNPFEDSA-N 426.433 0.238 30 20 ICED COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1OCC(N)=O 465184008 BMCUFZUWMYYBPZ-CYBMUJFWSA-N 440.460 0.580 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467292011 YMYGOYCXPSOJAZ-OAHLLOKOSA-N 443.483 0.423 30 20 ICED N#CCCN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(Cl)c1 470219679 MMQVVXBKXSKMSG-QZTJIDSGSA-N 440.953 0.674 30 20 ICED CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471707681 WMBWZBJIMGJZIZ-UHFFFAOYSA-N 430.534 0.790 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)C1=O 471757175 KIHMRWSVXHXLCR-UHFFFAOYSA-N 442.472 0.527 30 20 ICED COc1ccc(C(=O)NCCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472101591 HTSXREKGEBPHGK-UHFFFAOYSA-N 425.493 0.870 30 20 ICED CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472863054 MNNLRGIMTMVCIT-UHFFFAOYSA-N 437.504 0.946 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccccc1 480960499 YDDSUUNLZDEIDG-UHFFFAOYSA-N 439.493 0.904 30 20 ICED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 488791596 FKYBMONOWINYCO-UHFFFAOYSA-N 432.418 0.168 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)cc1 490387490 XKYUKIZRUXQITI-UHFFFAOYSA-N 435.488 0.316 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 493927697 NNSOPCTXDDJSSY-INIZCTEOSA-N 428.518 0.981 30 20 ICED Cc1ccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 498457959 QJOAGLPMCKOKAB-UHFFFAOYSA-N 447.561 0.567 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1 500306587 RKUUOQTZEHDTPL-MRXNPFEDSA-N 440.570 0.457 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 505686796 WBCLCMZQQUJZMF-UHFFFAOYSA-N 441.469 0.462 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 508252451 PWPXIMVDUXBRRM-CYBMUJFWSA-N 448.480 0.752 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2cc(C#N)ccc2C)c1 531320461 PFYLOWWWIINSSW-ZDUSSCGKSA-N 443.485 0.857 30 20 ICED CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 539927820 UOONPHSHDWCKCN-MRXNPFEDSA-N 436.534 0.966 30 20 ICED C=CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 540756546 WVNDVBJZVMLMFC-UHFFFAOYSA-N 431.518 0.943 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[S@@](=O)C[C@H]3c3cnn(C)c3)CC2)o1 553919648 XCUMVAWFEPQACO-NOVUIFNWSA-N 431.522 0.042 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)CC1 572683249 MYIMNNRLQFCHOI-LJQANCHMSA-N 442.564 0.938 30 20 ICED N#Cc1cncc(S(=O)(=O)NC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C2CC2)c1 576625490 KDLNEDQQMHMEDD-QGZVFWFLSA-N 432.487 0.255 30 20 ICED CS(=O)(=O)c1nccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 576967545 VYXVVTOXZDSKGP-UHFFFAOYSA-N 425.474 0.882 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2ccccc2SCC(N)=O)c1=O 577817335 HQGDLEYKBKPGDP-UHFFFAOYSA-N 441.513 0.768 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)nc1 585738768 DTBCCWMJKPSQKL-SFHVURJKSA-N 434.504 0.613 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 587687473 AYONEKINZCNGQB-YJBOKZPZSA-N 436.534 0.634 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 609351248 YEGDNQOCHCXBDQ-UHFFFAOYSA-N 434.468 0.304 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610845023 CPCQAZCVPVSPNV-LJQANCHMSA-N 425.537 0.870 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCN(C)S(=O)(=O)CC)cn1 726114460 YRRSTGZRLVXYHJ-CQSZACIVSA-N 444.583 0.642 30 20 ICED O=c1c(C=NNC(=S)NCCc2ccccn2)c(N2CCOCC2)nc2ccccn12 726423992 UKBJCWMWYGPEHK-UHFFFAOYSA-N 437.529 0.967 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N(CCC#N)CCC#N 731811750 YFFAEDDMSXODEO-UHFFFAOYSA-N 443.445 0.009 30 20 ICED N#Cc1ccc([C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C(N)=O)cc1 734571284 ZLLZKCMQPGOYBL-GOSISDBHSA-N 442.453 0.062 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 749667616 VKDKRDKSVOQKGS-UHFFFAOYSA-N 429.477 0.337 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 750415289 QXVSGUYISQVTTC-QGZVFWFLSA-N 429.433 0.764 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 750418435 LDQABQAXWNHSKM-UHFFFAOYSA-N 438.465 0.576 30 20 ICED CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 752141456 YNIRVFIVZAZHAO-GHOZOMOVSA-N 438.506 0.753 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 755537324 MQTBXBFABIXCRC-SWLSCSKDSA-N 436.490 0.904 30 20 ICED Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 757607294 WUDSMKWRFSUSBF-GXTWGEPZSA-N 442.476 0.430 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Br)nn3C)CC2)o1 758809328 WCEZHPDOBJEYMB-UHFFFAOYSA-N 437.254 0.856 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 759064161 DEFOBWZYJAWOLS-WZTHKDHVSA-N 444.517 0.835 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 761037012 KAPCVHJPPCSRJF-GFCCVEGCSA-N 429.886 0.660 30 20 ICED COC(=O)C1CCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 767629526 VMHJDHQZZZUYSP-CYBMUJFWSA-N 437.474 0.180 30 20 ICED Cn1cnn(-c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)c1=O 770870534 WKDUYIUKDKWZNV-UHFFFAOYSA-N 426.458 0.638 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 772625155 NCDMZZABFNBCET-UHFFFAOYSA-N 426.564 0.814 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3cnccc3c2)c1=O 782792987 MEBUTSQQDKAKDD-UHFFFAOYSA-N 430.489 0.453 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)n1 789788380 QWHMOKMYCKPVFR-UHFFFAOYSA-N 427.461 0.498 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1cc[nH]n1 793469793 RZRHESDIJPPEPG-LLVKDONJSA-N 433.387 0.611 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3c2OCO3)c1=O 794582438 OPNDGAAIMFLDPW-OAHLLOKOSA-N 442.493 0.784 30 20 ICED CC[C@H](C)[C@@H](OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796004520 WPJRFXZJGMFQBH-HNAYVOBHSA-N 437.518 0.995 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)cc1 798079468 CIUODVWJIHVWSP-UHFFFAOYSA-N 443.485 0.847 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 799287544 RKVQMCBLTVJHLT-MRXNPFEDSA-N 434.518 0.766 30 20 ICED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 802888822 JFAGZBAEHBTZQV-UHFFFAOYSA-N 425.426 0.970 30 20 ICED CC(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918246538 WDHZXUYLLJQVNP-KQWNVCNZSA-N 437.522 0.326 30 20 ICED CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 920203000 AYDLBMPNBOPWSI-CJLVFECKSA-N 437.522 0.423 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1299262208 KNSOFTVCGVVALE-UHFFFAOYSA-N 448.487 0.521 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 1541927346 IWSXGSHCVGCFRG-LRDDRELGSA-N 425.494 0.092 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1547919897 RQQDFJMRXCIRSS-DENIHFKCSA-N 447.584 0.687 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC2(C#N)CCOCC2)CC1 1564013221 XRWGAELMCVWYDE-UHFFFAOYSA-N 435.550 0.742 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1642565669 SIEKOVHRNSPSOF-OAHLLOKOSA-N 441.513 0.673 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1705971666 ZUYNDASGMOLQOW-RHSMWYFYSA-N 437.570 0.887 30 20 ICED CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1711001833 LBYYSZRCJXPKRA-RKVPGOIHSA-N 440.595 0.346 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)[C@H](C)C1 1722794625 TVAUQYDVQIOGAM-OPAMFIHVSA-N 440.504 0.937 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1729729464 OWISVMNSMLNAIC-QGZVFWFLSA-N 438.536 0.999 30 20 ICED CN(C)C(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1747525302 VTCXGORQPFNMGD-GOSISDBHSA-N 437.504 0.993 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCO1 1748213101 YKJJUWCKUAMCOX-BEIWTESXSA-N 428.518 0.679 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1765818323 SXNXPACGKKVVTM-UWJYYQICSA-N 433.557 0.690 30 20 ICED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOC1 1768227123 JTSYJMQCHLCCCJ-VKJFTORMSA-N 442.542 0.155 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779224163 GZCSIYOIJSHJFP-VGOFRKELSA-N 438.488 0.695 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020888 RXBKJELGSUKTMR-BTYIYWSLSA-N 444.492 0.575 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780901681 OCAWQAJAPKKNMI-MFEFFIJZSA-N 445.491 0.812 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1782015516 RUPXDHXHKDBQQP-FOIQADDNSA-N 436.848 0.967 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782054640 FILIAPWEUPHBLK-HRAATJIYSA-N 448.545 0.638 30 20 ICED CC[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783565930 SCAAECQRDIKERZ-YCRPNKLZSA-N 437.493 0.598 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1783896127 XZQCELULLLGVCU-UGSOOPFHSA-N 427.548 0.388 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1784503765 IDQKMGJFLFSKGA-OREBXVKISA-N 445.520 0.166 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c1=O 1784731872 KBFXGMAYVHDLDS-GUSFFNOKSA-N 446.504 0.508 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1786644039 GAONDTDBMQYJFK-FHWLQOOXSA-N 433.530 0.515 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788003869 QXBYBCBNXRMYDW-BQFCYCMXSA-N 439.520 0.604 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n(C)n1 1788655445 GRLNLAISDVTLAL-MOFWARSWSA-N 449.508 0.551 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789224611 OVUWKXMAEDQUNW-UZRSVZKRSA-N 429.521 0.450 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)nn1C 1789400543 HTODPNDXZPGGFE-LNLFQRSKSA-N 444.532 0.721 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1789955164 GDJQYDMIRVKJSA-OTRWWLKZSA-N 444.492 0.829 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]21 1791074270 NLXYTCQJHZFJCO-IHRRRGAJSA-N 425.363 0.782 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3)[C@H]2C1 1791565286 GECAKOYLILIRSF-FHWLQOOXSA-N 430.553 0.925 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258927 WPRNNWNGTMVUKO-SFNKJDCFSA-N 435.521 0.265 30 20 ICED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1793986913 LPVRBAINQHFAJC-JCNGBGPOSA-N 446.504 0.751 30 20 ICED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1794034261 WKTCXCMZXPREBQ-BBIADKPPSA-N 434.496 0.776 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c1 1795773332 OPCOPHLKZUZVKR-IRJINJETSA-N 434.496 0.942 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2nc(C)no2)c(C#N)c1 1795815455 MQCTUAGHLWLYBJ-FAQVEIGNSA-N 439.472 0.633 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc2c(n1)OCCO2 1796283227 RCOKFJDIXHQDBW-NVTYBUQISA-N 440.456 0.768 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(NC(C)=O)cc1 1797231676 GDIARJZCVKAESC-HCBXPFHNSA-N 427.501 0.815 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797786662 ATNXJNHFLVMNMY-AJYBTWMASA-N 440.493 0.054 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(NC(C)=O)n1)C2 1799302943 VMSFGYNJMKGYLW-CWPLJXCYSA-N 444.488 0.753 30 20 ICED CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884390 UYFBYMGJLCULLC-XSVFBRIYSA-N 443.529 0.796 30 20 ICED COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1OC 1800774079 ONXLOPIJZSDKFM-MFKICJERSA-N 430.457 0.314 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2)n1cnnn1 1801438182 YUCQLQRHLMLXMM-DPYKFYPSSA-N 429.868 0.663 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1803547524 LDBNHPSOBGOZCF-NJAFHUGGSA-N 433.472 0.877 30 20 ICED 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(C)(C)C#N)C2 1804428611 HMXNZVMFZMUSBI-XGUBFFRZSA-N 435.525 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1804644362 MHOHDOBKSYZBFJ-QFZALXNFSA-N 434.500 0.979 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807048070 NZZYIWBUBYRGOS-XCVJQRGISA-N 443.552 0.152 30 20 ICED C[C@H](C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)n1cnnn1 1807151781 OVINJDKTCZNPFO-BPQIPLTHSA-N 439.524 0.617 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808961642 VAZXWZVZGGXEOM-YLJYHZDGSA-N 426.477 0.889 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnn2c1 1812879617 CJMCZKWNNRWKLI-UZLBHIALSA-N 432.440 0.840 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1813265325 QABGCTIFNXEEAA-WMZOPIPTSA-N 430.509 0.725 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452017 AMFOCUWCLYLDRI-MAWIPDFUSA-N 441.510 0.975 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899651 AUTSMTPZBBJDGT-IAGOWNOFSA-N 434.537 0.731 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1830715260 MIIYGGIGPKFQAI-DRSNIGMVSA-N 444.488 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1831392927 IGTIOLFLXYEJTM-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccccc3C)C2)C1 1831393702 NLIVDEQHYAWHTJ-WMZHIEFXSA-N 429.517 0.902 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1831395960 DIKUJGARAAUFMT-QRWLVFNGSA-N 432.502 0.504 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831438765 WFDGTMFMHJKXHZ-AOMKIAJQSA-N 436.480 0.979 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)s1 1831488633 YMRKJNXKFQZIGV-WMZOPIPTSA-N 428.580 0.800 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1833074321 KAFVFMHJUKLAIH-ARJAWSKDSA-N 442.520 0.226 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834329624 RTQFGMOVMWFVQW-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834735870 AOANEYZFFWZPLZ-MRXNPFEDSA-N 429.512 0.362 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116295 FWLVQRNCMWYYSX-OAHLLOKOSA-N 446.639 0.302 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835342143 RKODVZFXVHKKFU-QHCPKHFHSA-N 440.500 0.948 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc4ncccn34)CC2)CC1 1835385201 UCLHXNFSPLGIIL-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835867233 SHCQQQPDWOGRNI-AWEZNQCLSA-N 432.481 0.541 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)n4)CC3)CC2)c1 1836170146 YWMVBEJWQKSVCB-UHFFFAOYSA-N 439.476 0.587 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836866809 ZQAJRFQZONCSNN-QGZVFWFLSA-N 447.532 0.891 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837524232 CKUSFYVXMHYBGQ-PTJKWTKHSA-N 447.488 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838252106 PWHFPUAQPKBYAE-XQQSMPNESA-N 449.895 0.058 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)CCC1 1838513494 UYBTWEDGQYXECS-FQEVSTJZSA-N 442.501 0.850 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc(F)cc4F)C3)C2)c1 1838733326 YVPPBGQMZJKIIG-FQEVSTJZSA-N 431.399 0.943 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838742011 MEUCBJSUKQZDCS-IIBYNOLFSA-N 426.477 0.723 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774200 NLVBZBVUIMBJNF-MRXNPFEDSA-N 429.473 0.936 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838832191 SVOATFVWENIGAX-NRFANRHFSA-N 436.509 0.482 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186375 POWAEVKHNLWSMU-JOCHJYFZSA-N 447.463 0.649 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421984 WIGNPBCXYQYQNG-QKKBWIMNSA-N 432.452 0.292 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cn1 1839422359 PHBRGLPREHOTOI-QFIPXVFZSA-N 441.463 0.744 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OCC)c3O)CCO2)C1 1839425691 ZROWTONCNDEXDZ-SBUREZEXSA-N 446.500 0.899 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(=O)C5CC5)C4)C3)c2c1 1839486520 YPWCXHDOARBMFS-JOCHJYFZSA-N 437.456 0.484 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5cnc[nH]5)C4)C3)c2c1 1839487783 HERQKLGTXUGMQI-JOCHJYFZSA-N 449.471 0.470 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572298 QKSHIAVKNATUAE-MWTRTKDXSA-N 443.500 0.842 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738546 YPNKSPOPIQUFTE-XIKOKIGWSA-N 426.395 0.233 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1839760220 LDXYERPVWQXJIL-HSZRJFAPSA-N 440.496 0.838 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839889132 DOKTXMQYOJNSTJ-SFHVURJKSA-N 426.420 0.767 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)c1cc(OC)ccc1OC)CCO2 1840148252 KSZJYZNGOQRBBO-HSZRJFAPSA-N 444.484 0.756 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840293359 WBGGNZMUHWYCDI-QFIPXVFZSA-N 446.504 0.962 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cncn1 1840420188 DDFGVCYSRMYROP-JTSKRJEESA-N 438.488 0.675 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840621753 VYZRQFZBASFXIK-JPDVTSGLSA-N 427.473 0.864 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844159562 KOQVDNUULLVJNI-INIZCTEOSA-N 426.433 0.316 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2C(N)=O)CC1 27039097 MSTQKCAINXHZSY-UHFFFAOYSA-N 428.470 0.569 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 218004557 DHEBXRBAJQUCNU-OAHLLOKOSA-N 432.278 0.708 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 409501534 PJYHJCXFIJVCRU-UHFFFAOYSA-N 430.961 0.376 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1CCCC1 410391666 VQXLBGWKBGLOTQ-VYDXJSESSA-N 448.615 0.397 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 439815688 FLLPCIYLDWYSEN-INIZCTEOSA-N 445.487 1.330 30 20 ICED Cc1ccc(NC(=O)[C@H](C)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N1CCOCC1 444418414 UQJIAFINKRZZQY-INIZCTEOSA-N 446.533 1.565 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 462096508 IXQDLBJHRUVZKO-MRXNPFEDSA-N 429.506 1.479 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 473664070 UCKGJDKEENEJKZ-LJQANCHMSA-N 437.500 0.342 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 476418322 YDNYGGOACZCCML-CQSZACIVSA-N 442.501 0.068 30 20 ICED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 476557445 ZTZCSPSNCJSUDS-OALUTQOASA-N 445.497 0.646 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 480493233 DLNGJNWBAHYQIV-LBPRGKRZSA-N 449.514 0.430 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480802077 QKKYBUMFTIDINW-CQSZACIVSA-N 442.563 0.545 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C 487389410 DDHBGYZEYJLOFH-UHFFFAOYSA-N 425.432 0.910 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 489146549 DWFUJIPUMJODCT-QGZVFWFLSA-N 440.547 0.519 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 491226972 YKPYEDKJQWMJIE-UHFFFAOYSA-N 435.912 0.427 30 20 ICED COC(=O)[C@]1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1C 503200614 BVYPOEQYKUUXQJ-IIBYNOLFSA-N 448.545 0.522 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(CC(C)C)c1=O 505695705 WKICJJGZVNEFLU-HNNXBMFYSA-N 429.546 0.406 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 508993952 GPSZMHNKOHMZLC-UHFFFAOYSA-N 448.527 0.699 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C1CCN(C)CC1 516372055 PPTREGUGUJKZSY-CQSZACIVSA-N 446.598 0.892 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 516424504 INQKPWWLURLUQQ-UHFFFAOYSA-N 436.472 0.708 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 517555804 BCJNPCJIXJJUGS-UHFFFAOYSA-N 445.516 0.756 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 518351606 DUXKVFRGWUFVQR-PBHICJAKSA-N 447.517 0.646 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 523744375 FLVFCMAPOWYWIE-UHFFFAOYSA-N 427.526 0.617 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 530317908 LHHYIBCBUVKOMH-MRXNPFEDSA-N 441.509 0.040 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)c1=O 546903904 REOKYFHSGOTIQL-UHFFFAOYSA-N 432.444 0.125 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)CC1 549831562 ZLORPIFLLKXXPF-SFTDATJTSA-N 441.511 0.955 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 550779182 WCDXWGVLSNAICG-QFIPXVFZSA-N 440.592 0.757 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(c4nccs4)CC3)CC2)n1 552176478 HDPUBDZZXFZXMY-UHFFFAOYSA-N 425.518 0.844 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CCC1 555706437 XGOFHVSDVIVFGC-UHFFFAOYSA-N 443.550 0.844 30 20 ICED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 559326413 LCXGMZRXJGOARK-MRXNPFEDSA-N 425.580 0.471 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 567795536 BZEHARFLHAAULD-UONOGXRCSA-N 446.541 0.227 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 569798232 DAQRMUWMDREILP-UHFFFAOYSA-N 443.485 0.413 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)c1C#N 572677510 MDJMFBRRFSJSIF-UHFFFAOYSA-N 438.414 0.324 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)CS(=O)(=O)CC 577912048 ITTLRLFLTIWENN-CRAIPNDOSA-N 448.545 0.842 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 578258736 BYGJKDLBCIULJO-YBOAYWMSSA-N 426.473 0.182 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 611409218 QTPZLSPVKHFQEU-RBUKOAKNSA-N 437.541 0.548 30 20 ICED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCN2C1=O 611430209 QXKLSPBNMDDKIP-MOPGFXCFSA-N 442.495 0.503 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3nnnn3C)nnc12 678578947 SYTJNKJZWRSOAQ-UHFFFAOYSA-N 425.478 0.205 30 20 ICED CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727009817 AFLBIGPYMVBZPO-UHFFFAOYSA-N 428.489 0.937 30 20 ICED CS(=O)(=O)NCCNC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 727066840 YVORAVDPQCWBOU-UHFFFAOYSA-N 431.543 0.951 30 20 ICED N#CCNC(=O)COC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 731236483 DLYNOHCSXGNYIQ-HNNXBMFYSA-N 443.485 0.906 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732796380 DKQFJEIRKQSEPO-UHFFFAOYSA-N 431.562 0.999 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N(CCN3CCOCC3)CC(=O)OC)ccc2c1=O 735522679 LFWPVDNOHTXJHZ-UHFFFAOYSA-N 446.529 0.819 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)cc1 737241062 ZUWPHRLMQPDGTK-JCMHNJIXSA-N 438.506 0.896 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CCN(C)CC3)c2=O)cn1 743726938 YRKSQVJGNXSZHB-UHFFFAOYSA-N 443.573 0.748 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(C)c2)c(=O)n1CCOC 746372501 PTOGPCYPOSZYOO-UHFFFAOYSA-N 436.331 0.876 30 20 ICED N#CCN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 749603705 LXLWPLAFPXAHGC-UHFFFAOYSA-N 427.280 0.959 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1F 752046727 ZEDGISGXTBEUJE-YJYMSZOUSA-N 438.481 0.740 30 20 ICED COc1cc(C[C@@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 754894512 CSWZHKYCRZQGFU-OAHLLOKOSA-N 447.513 0.710 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)c(Cl)c2)c(=O)n(C)c1=O 754963830 FBVMAONUTJHLSO-UHFFFAOYSA-N 435.687 0.812 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 756895023 RPPQKASXQMXHCU-ZFWWWQNUSA-N 436.490 0.434 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758057421 FZOWOJGCWIXLLF-UHFFFAOYSA-N 426.454 0.107 30 20 ICED C#CCCN1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 762292884 CFEDPZXMAJIDAV-UHFFFAOYSA-N 438.532 0.573 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CC=C 766053205 RMGKDIRXGSREDU-UHFFFAOYSA-N 441.425 0.717 30 20 ICED CCOC(=O)CNC(=O)C1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 771860796 HTYRXDDPLLIFJL-UHFFFAOYSA-N 441.488 0.671 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OCc2ccncc2)c(=O)n(C)c1=O 771897113 AYEZLMBXWGIMAP-UHFFFAOYSA-N 429.458 0.370 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)c1 774448926 CMBANWWEBSSIGB-AWMROSOHSA-N 438.506 0.706 30 20 ICED C#C[C@H](NCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@@H]1CCCO1 775807794 VSQODSFDEUTUED-IRXDYDNUSA-N 425.489 0.703 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 777287742 NQJOFVAXJSDABX-AWEZNQCLSA-N 431.493 0.821 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC(F)F)c1 788341006 YSDFZDHAUZVCOG-JCMHNJIXSA-N 432.449 0.836 30 20 ICED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nnc(CC#N)n3C)C2=O)c1 794470431 GSCSEUXTOVYIIX-GOSISDBHSA-N 429.462 0.480 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794577369 VESSVMHVZNZIMH-MRXNPFEDSA-N 430.530 0.569 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 794583140 WSVHIJZFSMBOAL-QGZVFWFLSA-N 440.521 0.990 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CCN1C1CC1 806896714 KKAKBNPBOSKNBV-JFIYKMOQSA-N 437.500 0.221 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 808132202 HEBQIZBXFYMDAT-UHFFFAOYSA-N 447.538 0.144 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 918953407 HFRHLXZQFSAESE-AWEZNQCLSA-N 439.490 0.678 30 20 ICED Cn1cc(C2=NO[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cn1 1290637296 OKWKMWFRSWJYHJ-GOSISDBHSA-N 428.474 0.318 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1316539993 SFMJNIFZJQCEQI-QGZVFWFLSA-N 436.451 0.962 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCOC1 1497055953 LDCARCGEPFSPLX-UTKZUKDTSA-N 431.541 0.524 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccn(C)n1 1510218373 MYEMGSUHNWZTTE-WMLDXEAASA-N 447.569 0.041 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1554431666 XWNYMOJWPCXECM-HTAPYJJXSA-N 440.504 0.843 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1618469456 WVRZRLNWKFWFBJ-JXFKEZNVSA-N 446.533 0.144 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCNC(=O)C2CC2)cc1 1620351030 UNBZJOXDXFEIDS-UHFFFAOYSA-N 437.504 0.814 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cn1 1652920041 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440.500 0.968 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100900 FVTLRAICYXPLPR-LOPIXXQXSA-N 449.508 0.502 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779103899 DDASLKDZKKRCEN-FUYSCZTQSA-N 433.408 0.455 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[n+]([O-])cc2)C1 1779945443 PZRKCHMCNRORKH-XMSQKQJNSA-N 431.489 0.957 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)cc1 1780695998 PVZVYVOBDIRNMS-NRFANRHFSA-N 446.529 0.427 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c(C#N)c1 1781175213 DSVBVHKRTVKLMD-HSZRJFAPSA-N 437.500 0.915 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2)C(F)(F)F 1781805723 VPJFYSJOIMMQOP-SJKOYZFVSA-N 430.431 0.952 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056849 JCUHLAIKOVBERP-KNQAVFIVSA-N 428.489 0.461 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C[C@@H]21 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30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)ccc1F 1799326713 AEQVZFLTZFMTCX-WQDJSCAQSA-N 449.504 0.407 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2)C(F)(F)F 1800551362 SXSRFUPJSBJFED-AYDFFVQHSA-N 440.422 0.908 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCc1ccc(OC)cc1 1801106224 QTJWMOPCCNFICX-UYZIEWPDSA-N 430.501 0.840 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)N1 1806635829 KJVGXGAJGKQNBA-QVBOJFLCSA-N 443.504 0.895 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807611729 YKHYRXGURGPGQA-MEKKTQKKSA-N 442.480 0.303 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1808440324 LFIUQWIZSDTILM-SQGPQFPESA-N 446.504 0.660 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)[nH]n1 1815198730 ZZCSCRPAPOBOQG-JEBQAFNWSA-N 448.476 0.935 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)sc2C1 1822630435 OBLQAZOLMBPYIT-JHJVBQTASA-N 430.486 0.544 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(N5CCN(C)CC5)CC4)C3)C2)C1 1829671155 UEIKTRJTNLOAFK-QFIPXVFZSA-N 432.565 0.189 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902707 YZGQMVATEKWMIP-PGRDOPGGSA-N 443.504 0.004 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456942 YNAYNIMJLWXZRL-CYFREDJKSA-N 439.512 0.986 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830468742 VYQXJCJRBUWTKN-NRFANRHFSA-N 444.875 0.890 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831402273 SPHSWGHHZGLNGZ-DYESRHJHSA-N 426.510 0.270 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1831419021 JLXNQGJZQKBFIL-LAUBAEHRSA-N 425.526 0.340 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831425978 YPXSIOQIZBWMPA-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1831427426 VUICAKBHLOGLEA-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(C)=O)C3)C2)c(O)n1 1833699805 MCUWFLRRQGRODZ-JOCHJYFZSA-N 446.504 0.112 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1)C(F)(F)F 1833765002 QBFYQBZCTFNVRB-AWEZNQCLSA-N 445.442 0.275 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833772896 LNQXOYVGTXDHJO-HNNXBMFYSA-N 433.578 0.701 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3[nH]cnc3C)CC2)CC1 1835189956 NNHASOBCAOODHT-PLNGDYQASA-N 428.537 0.762 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1836680108 TVQLUUFOOREXRM-QGZVFWFLSA-N 438.525 0.784 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811495 SBPMSXDFRURHRI-VGSWGCGISA-N 443.504 0.601 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1836861747 GYXMGFCASIBOGT-LPHOPBHVSA-N 440.562 0.601 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ncsc13)CCO2 1837076416 VTWSTRNXZZEJRP-FQEVSTJZSA-N 429.454 0.454 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837107320 CUWHFKIHFWKLBR-VGOFRKELSA-N 426.473 0.443 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837431295 GKQCSWXTLVLFMX-NRFANRHFSA-N 447.612 0.786 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837524620 CTTDVXSMGMUPOC-DRRDTLGUSA-N 438.525 0.068 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565273 QCVIXSCJPJDORH-UMQMUVBQSA-N 439.534 0.269 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5ccnc45)C3)C2)c1 1838737523 XBFXOCBVXPNNQU-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1838949490 FLKIHPOHGKEBFP-AVRDEDQJSA-N 426.473 0.154 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)C1 1839047231 GDLAZQIXKJDOFX-JOCHJYFZSA-N 425.489 0.694 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1839174952 GHEHUKPIWQOIPK-NRFANRHFSA-N 435.452 0.800 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185527 FFZHPVUOUNCOAD-GAJHUEQPSA-N 443.475 0.735 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839223043 KGSTUMSQHRPYFQ-QVKFZJNVSA-N 447.492 0.051 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cnnn1 1839422247 KCLKUBXDYOBIRG-XOBRGWDASA-N 443.439 0.015 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839532735 WOAHPILOWUSMEI-XMSQKQJNSA-N 432.521 0.472 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839841616 UFHPMVFRVHTNGQ-VFNWGFHPSA-N 429.477 0.717 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043205 JWTBUPAGASZRLN-HXUWFJFHSA-N 436.848 0.507 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840606065 NTYFVMDFXDQMIJ-CETSDDCJSA-N 439.512 0.840 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058401 ILTHIBOFWBJZMP-KBPBESRZSA-N 431.493 0.997 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843890251 YSVIABXJNITQMJ-HUUCEWRRSA-N 437.468 0.873 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)ccc2F)C3)c(=O)nc1O 1846970165 REVNCUCVHYYFFO-UHFFFAOYSA-N 425.420 0.785 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847239289 HHDFLODIKWOESR-LMGVVVSRSA-N 449.504 0.284 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1=O 31751646 GJEBMZJXTFWAGY-UHFFFAOYSA-N 436.472 0.985 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 409490801 JGZZFMPLUFEFAU-UHFFFAOYSA-N 427.502 0.489 30 20 ICED Cc1cc(N2CC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)ccc1Br 409499293 HFXCCYGZJMNRNJ-HIFRSBDPSA-N 443.323 0.922 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 430383624 HEVQBDVPARFXRV-JQHSSLGASA-N 427.567 0.937 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)C1=O 440258791 ROQSAUPDVGZJQC-INIZCTEOSA-N 430.461 0.163 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)C1=O 440261687 ZBWLEPMDVYQVTF-MRXNPFEDSA-N 444.488 0.536 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nn1 441796493 RJYDLSQSMYWZIO-UHFFFAOYSA-N 440.338 0.519 30 20 ICED COCCn1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 444503891 AKVZCFUAKLGNMW-UHFFFAOYSA-N 436.476 0.857 30 20 ICED Cn1cccc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1=O 444504466 HRTBMYZIWPZOLR-UHFFFAOYSA-N 437.435 0.851 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@](C)(O)C(=O)OCC)nnc12 460122251 YUQUTPPFCUTJSY-FQEVSTJZSA-N 445.501 0.753 30 20 ICED CNC(=O)c1ccc(CN(C)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460591844 JXVZIUAIQQDZTI-UHFFFAOYSA-N 431.456 1.404 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465254594 BJSDDRIRNNUJGD-OAHLLOKOSA-N 439.501 0.891 30 20 ICED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1=O 467882528 FSUOWQAQOXRZGZ-UHFFFAOYSA-N 434.378 0.958 30 20 ICED O=C(Cn1cc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1)NCCO 475607479 VZWAUFYDRZHFHN-UHFFFAOYSA-N 432.440 0.364 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 479910309 FCLDDDYNIYLWNI-ZDUSSCGKSA-N 444.469 0.767 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc(OC)c1OC 488990350 YRMKYJDIHSKZGS-ZDUSSCGKSA-N 430.482 0.581 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)NC[C@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502044485 DCFGYTJEMFPQAH-GOSISDBHSA-N 449.536 0.739 30 20 ICED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 503321903 GUBPQKMHEVYVIB-KRWDZBQOSA-N 439.559 0.995 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 504528480 WPRCDDDHYITRNU-SFHVURJKSA-N 440.504 0.432 30 20 ICED Cc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cccc1C(=O)N1CCSCC1 508349515 NJZPVEYPMNUJNT-UHFFFAOYSA-N 427.490 0.402 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 511318196 CFJGBTHFUVGNGP-UHFFFAOYSA-N 429.477 0.137 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@]12C(=O)Nc1ccccc12 514033410 UFNMEISESPBIRC-LIRRHRJNSA-N 449.558 0.420 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C#N 515663221 MTWQNOJLJBPQED-UHFFFAOYSA-N 431.433 0.928 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cc(OC)ccc1OC 525778081 FWUDKUBCVURZOY-UHFFFAOYSA-N 436.449 0.630 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 527104271 PCKISYKUYMDQOY-UHFFFAOYSA-N 438.506 0.805 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 536359948 ODBVATVLHFKOHV-KRWDZBQOSA-N 440.547 0.238 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 536981998 LSTFWQWCFWHMST-UHFFFAOYSA-N 437.504 0.978 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1c(OC)cc(OC)cc1OC 551232205 MCTSCCFDIKWVLE-UHFFFAOYSA-N 426.451 0.286 30 20 ICED C=CCOC[C@@H]1NC(=O)N(c2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 553157402 FPZHMGBIZGCQKJ-HNNXBMFYSA-N 439.490 0.734 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)c1C#N 568333287 RSMHZHSZVGQXNX-UHFFFAOYSA-N 433.475 0.584 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 577313521 UGAATLUNVSQOCX-HUUCEWRRSA-N 433.538 0.525 30 20 ICED CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 581901625 DVMGPEBXJTZEMD-UHFFFAOYSA-N 444.579 0.611 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 588122835 GCOFNGPOVIUSCR-IBGZPJMESA-N 433.940 0.622 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCCN(C)C)c2)CC1 604441412 SALNNNCWCMJUMP-UHFFFAOYSA-N 449.577 0.847 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1 608474675 FRSZBWLPFJTMKM-UHFFFAOYSA-N 433.489 0.927 30 20 ICED COc1cc2c(cc1OC)CN(C(=O)CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)CC2 609384320 IOOMJKQKVBWDNQ-UHFFFAOYSA-N 441.488 0.750 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 610532478 FOBBPTYBGQMVCQ-UHFFFAOYSA-N 448.545 0.798 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 684534579 BNMODJGPQGLHAD-CYBMUJFWSA-N 437.477 0.640 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)oc1C 726575336 IWQSXEJHIYSRBY-UHFFFAOYSA-N 434.433 0.713 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)nc1 731762161 GPNJWQDVZVBHMF-UHFFFAOYSA-N 446.464 0.799 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 742144155 XHOJHGCOIWBGFI-UHFFFAOYSA-N 439.465 0.625 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 743765742 LXUOANXNMPZQLS-JOCHJYFZSA-N 427.526 0.965 30 20 ICED O=C1O[C@H](C(=O)NCC#CCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)Cc2ccccc21 753661465 BDTHKIKTJCXXNY-PMACEKPBSA-N 432.432 0.786 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 755940721 YPLBVXQPMCMSIH-GOSISDBHSA-N 438.532 0.908 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 757152880 XRIAOLIDYGCFHC-ZDUSSCGKSA-N 426.458 0.230 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758760717 PFSQPJNOZHONBQ-SJORKVTESA-N 436.557 0.941 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 762536287 LBXMFPUCJOUYSE-UHFFFAOYSA-N 430.440 0.289 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=Cc2cnn(-c3ccccc3)n2)CC1 764566817 RHYASIIXTUDSCX-UHFFFAOYSA-N 427.509 0.677 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)cn1 765146365 UZDUIXXXTSPDBT-UHFFFAOYSA-N 426.502 0.438 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 770417834 ONGQUEQSTHRDHP-UHFFFAOYSA-N 425.445 0.806 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 774935731 RBZKTGILDZJTEM-CYBMUJFWSA-N 447.391 0.502 30 20 ICED C=C[C@@H](OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(=O)OC 800721005 MPNJJGRAKZFVOH-MRXNPFEDSA-N 436.442 0.846 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)(F)F)C1=O 814707926 ACXJSOQEVUPRRU-OBZJLHOISA-N 434.490 0.925 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 899585983 GHAJXPDMMUCRCY-SNVBAGLBSA-N 437.396 0.927 30 20 ICED N#C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1116506574 YDQRDCAQXONXJQ-GDBMZVCRSA-N 430.490 0.014 30 20 ICED Cc1cc(=O)c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(Cl)c1 1122406165 DLZCGKJLFIMPNQ-OAHLLOKOSA-N 448.888 0.774 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1160051096 IPPIOOFEEBPMJH-HNNXBMFYSA-N 429.502 0.575 30 20 ICED Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1290222629 XZBMUSDLDRXHLP-WBVHZDCISA-N 444.565 0.817 30 20 ICED C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301035023 YZSWSXZCACFYJC-UHFFFAOYSA-N 434.932 0.412 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1321819097 RBADSAWFMBEZQZ-CVEARBPZSA-N 433.490 0.303 30 20 ICED CN(CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCS(=O)(=O)C1 1469885360 KRPCLRSFKJQONX-SFHVURJKSA-N 442.545 0.716 30 20 ICED COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1504907313 UGWJQHNQFBDOMK-FUHWJXTLSA-N 425.493 0.488 30 20 ICED CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1510341993 JHHMLVYSGBVNTM-UHFFFAOYSA-N 439.520 0.776 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1COCCO1 1513400969 OUSTVDDBSKAWMB-ROUUACIJSA-N 431.541 0.788 30 20 ICED CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1552867334 MKUQYAQMMWASPN-ROUUACIJSA-N 430.557 0.232 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554125046 KARFKCXQNDDDJF-NRFANRHFSA-N 442.545 0.980 30 20 ICED CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1609890977 MOJAQRIQKMVGSR-INIZCTEOSA-N 425.493 0.955 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1730419719 PYNVGHTWAWIAJV-SFHVURJKSA-N 428.493 0.773 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750932607 LXOSVUBBVVTQIH-OAHLLOKOSA-N 437.570 0.828 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1765818320 SXNXPACGKKVVTM-DYESRHJHSA-N 433.557 0.690 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829939 VOCRJFGRVXNEKI-QMUOXOFHSA-N 443.464 0.097 30 20 ICED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)nn1 1779951253 FMMUUPBFVCRSHR-VGOFRKELSA-N 444.536 0.895 30 20 ICED CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1780425684 AWKJTIJJMVRXSG-PIUNUONSSA-N 430.509 0.791 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1780652418 BMGCGAMLAFVYRI-MPWIWIEXSA-N 435.521 0.361 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1782163512 ADLJIDATUYJRIG-PEOGOYOCSA-N 434.489 0.568 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786163 XWDRSMUYPWVQQO-YWZLYKJASA-N 434.449 0.178 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787920 SYYGCMLAHZLPRX-HRAATJIYSA-N 448.476 0.160 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN(CC)CC)C[C@@H]21 1783530634 MWDGOPVPHWFJTE-PGJGNZRUSA-N 434.581 0.802 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1784193453 OJLOZMGCTNOBKO-VGSWGCGISA-N 437.537 0.896 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1784482152 DIRVEXZTKHQYJK-FJXLLPKBSA-N 431.445 0.932 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785330576 RWRQEKKCKAKCME-QAETUUGQSA-N 433.530 0.496 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSC(=N)N)C[C@@H]32)c1 1789255952 OTCQDEWONCVNRT-JQFCIGGWSA-N 431.518 0.787 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSC(=N)N)C[C@@H]32)c(C#N)c1 1789839715 ZRJNUOLSSXUYNI-WBAXXEDZSA-N 445.545 0.716 30 20 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C#CC(=O)N1CC[C@@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1809452032 HTUMOVCSJMYBIA-KXBFYZLASA-N 441.451 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1810246887 PLRYSVVDUNOIDS-ZIFCJYIRSA-N 428.537 0.500 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284374 NKLRXGHZDASFDI-UXEFLBJUSA-N 440.552 0.399 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)CCC1 1810357020 LNTJYLVXYJEYCK-WSTZPKSXSA-N 427.505 0.432 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)ccn1 1812877935 RTSMTEFHBXBDCC-UWJYYQICSA-N 435.440 0.843 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(n2)NC(=O)CC3)[C@@H]1c1cccnc1 1812878142 DJFCYAGIPCIYSE-IIBYNOLFSA-N 447.451 0.769 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1815198250 CRECJQYWOMQLLE-TZMCWYRMSA-N 425.449 0.643 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817236818 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C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327597 QYCMGSIXFMXLIW-FDDCHVKYSA-N 429.517 0.854 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1840441564 ANLVCIYKVZBBNQ-RKOCYQMFSA-N 432.525 0.372 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813597 IPHWPWARANBOLQ-NRFANRHFSA-N 431.493 0.293 30 20 ICED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841138151 OQDYLONNOXECGX-UHFFFAOYSA-N 425.526 0.826 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1SC(=N)NC1=O 1843406698 MXKJPDMISYOYKX-CJHVCLSASA-N 437.522 0.521 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197018 LJFJVLXIWYGJJH-BTYIYWSLSA-N 431.489 0.925 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2Cc3nccnc3CN2C(=O)OC(C)(C)C)C1 1846555519 ABIXTENFFSYBMM-QGZVFWFLSA-N 425.489 0.975 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCn1cncn1)C2 1847073903 NQYHSPQTDYBIBH-INIZCTEOSA-N 430.509 0.788 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@@H](N)C(N)=O 1847939206 CQOXGSJGBGMLBX-UGUYLWEFSA-N 437.541 0.250 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 16587706 TUEBHXZDBBDORP-UHFFFAOYSA-N 445.339 0.767 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 427805572 OWYVUUAPQDJYIB-WBVHZDCISA-N 433.534 0.829 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N 435476941 KWFSDVXTBMCWOB-UHFFFAOYSA-N 443.504 0.287 30 20 ICED C[C@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 444414905 HYNLFSBRBYYOFT-HNNXBMFYSA-N 432.506 1.257 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 460621218 WNBQTQDVCQDSKQ-UHFFFAOYSA-N 449.446 1.000 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N 461199352 TWODBRFFRZSZFD-KGLIPLIRSA-N 437.547 0.007 30 20 ICED CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464855348 HHEHZKGFMSXFRJ-KRWDZBQOSA-N 427.553 0.964 30 20 ICED COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472199121 SDEYWKUOPKPZEE-UHFFFAOYSA-N 439.519 0.968 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cc1 478426135 RKQBIAYSYBUTRL-QHAWAJNXSA-N 442.516 0.810 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@]3(C#N)CCOC3)CC2=O)cc1 478663776 WGDJTMRBRVZJPA-YWZLYKJASA-N 434.518 0.869 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cs1 480928384 BRYYMBAJOJELCU-UHFFFAOYSA-N 427.511 0.747 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(COC)o2)c1=O 481589476 TYUYYWDCKKEPCE-UHFFFAOYSA-N 431.539 0.914 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 482450971 MHWJAVVILLHPGM-TZMCWYRMSA-N 437.503 0.420 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1cnn(CC)c1 482569261 MQKSZNAIYFIRJJ-UHFFFAOYSA-N 436.522 0.854 30 20 ICED CC(C)[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)nc1)NS(=O)(=O)c1ccc(C#N)nc1 486612618 SBMFRIRBRVBTBY-GOSISDBHSA-N 448.530 0.844 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2=O)cc1 488263773 KHVYZRHOOPVFJW-JKSUJKDBSA-N 428.411 0.976 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCN(C)CC1 490769350 LJEBOYQKWSXVFK-IBGZPJMESA-N 438.536 0.525 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)CC1 491249741 ZXGUEVLMXMFEAE-UHFFFAOYSA-N 442.925 0.128 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)cc1 501239982 DTUWIAFJYVIJLW-INIZCTEOSA-N 436.534 0.949 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 501578481 GVESETQSUHUAAW-ZDUSSCGKSA-N 442.505 0.953 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)C1=O 503615432 GYNSVCPFADKTGU-AWEZNQCLSA-N 441.448 0.891 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1 503718889 UOSZOQAMRKUZQZ-LLVKDONJSA-N 427.490 0.869 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)[C@H](C)C1 509012288 PNCFXHQHKGJCKK-ILXRZTDVSA-N 427.527 0.432 30 20 ICED CC(C)CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511770666 PBDASVQLTBGVIZ-UHFFFAOYSA-N 427.548 0.852 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 513071008 UJSQGRVMFLAFOL-LJQANCHMSA-N 435.484 0.986 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1 513980391 SLGDVOSHLKKKTJ-LHSJRXKWSA-N 449.496 0.911 30 20 ICED CC1CC(C#N)(C(=O)NCCS(=O)(=O)N2CCN(C(=O)C3(C#N)CC(C)C3)CC2)C1 532011345 RVZOLMUATUSOFX-UHFFFAOYSA-N 435.550 0.456 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCN1Cc1ccccc1 534856361 IIMNZOOBLATXTB-MRXNPFEDSA-N 431.456 0.837 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 540529727 IWMKWQUEXMLWLP-MAUKXSAKSA-N 428.532 0.617 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541147027 PYHRIKIYNQHZQS-ZFWWWQNUSA-N 448.480 0.656 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 541877674 VNPZINACSDCJKR-OKILXGFUSA-N 443.512 0.792 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1=O 552633334 VEXBSIKYVAUYCO-MOPGFXCFSA-N 432.496 0.561 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 555256774 RNONHYGMLCJSEV-KRWDZBQOSA-N 438.598 0.747 30 20 ICED C=CCOCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 555315468 IRIVEDGTQWUKHH-UHFFFAOYSA-N 440.522 0.940 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 557446336 MQVCEPUKEOTAQH-OALUTQOASA-N 426.521 0.361 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3nc4c(s3)CCCC4)CC2)c1C#N 560933958 RQHHMPJSUASEAZ-UHFFFAOYSA-N 441.561 0.943 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 564682095 SKEFIXVOPDSXNZ-ZWKOTPCHSA-N 445.474 1.094 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 573251637 WAAVOVUXLGXRHT-UHFFFAOYSA-N 431.522 0.606 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 573744808 AQKFPQQTKONOIE-UHFFFAOYSA-N 442.524 1.147 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 587647169 FNNZYHNIZRHBBY-CQSZACIVSA-N 438.410 0.318 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 588807355 BJVIDNUOIGMKIH-UHFFFAOYSA-N 427.533 0.482 30 20 ICED CNCCCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 604285394 ZRFZLPZWTJXVSX-UHFFFAOYSA-N 432.506 0.707 30 20 ICED N#CCN1CCC(NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 609338922 PUYURVHDYADCIL-UHFFFAOYSA-N 425.486 0.956 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 619464121 QZQQSEJOPJTHOA-UHFFFAOYSA-N 444.561 0.195 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 672252904 JSBOULRKHHXPCZ-QGZVFWFLSA-N 430.490 0.712 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(S)n1C 731439342 ZSFPXTGZWZBVOF-CYBMUJFWSA-N 436.563 0.916 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 755533722 CVOYJLJTRDLWQO-JSGCOSHPSA-N 426.437 0.476 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(C(N)=O)cc1 767884515 SFWQQUMEKGOFRN-UHFFFAOYSA-N 439.522 0.482 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 768396563 GPIWEPYJHKZLCO-UHFFFAOYSA-N 444.517 0.653 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1 774951024 JFMSISPGFUXMDX-AWEZNQCLSA-N 446.403 0.877 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777939006 CPXKJVDUQQCRJT-UHFFFAOYSA-N 446.460 0.729 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 780055068 JLARATGSSLUYMB-LSDHHAIUSA-N 438.506 0.521 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)ccc1F 780135817 DSWBAYYJRCRFEM-HIFRSBDPSA-N 442.465 0.857 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782855556 DAIMXZVUBSIWAH-LLVKDONJSA-N 431.430 0.323 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 783462579 QIVAFNNZPVGESA-UHFFFAOYSA-N 443.481 0.785 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)c1C#N 788106818 OXAMORXSJZXQIJ-HSZRJFAPSA-N 447.499 0.642 30 20 ICED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1=O 789704385 ZSOWZBFKVSOCRX-KRWDZBQOSA-N 426.498 0.985 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc[nH]n1 796875659 VRIDNUYMANRPEC-GFCCVEGCSA-N 425.492 0.368 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 804987259 YKTXTRGQDQITFB-UHFFFAOYSA-N 425.308 0.376 30 20 ICED C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812395191 NTFRFXDOBCXXDP-NVXWUHKLSA-N 437.566 0.860 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)N1CCCC1 919671186 ZGPDOZIUCQTMQC-UHFFFAOYSA-N 428.536 0.742 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 921132669 RGSSABHUVAONHV-UHFFFAOYSA-N 446.323 0.979 30 20 ICED CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1287096612 ZVMBBQNLKMMFSY-KXBFYZLASA-N 440.545 0.733 30 20 ICED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1306194987 UFCQNTFZPKPEJG-QGZVFWFLSA-N 444.565 0.715 30 20 ICED Cc1cc(C(=O)NC2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)no1 1324267290 OOTNRMWKVZJOIH-UHFFFAOYSA-N 441.492 0.694 30 20 ICED Cn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1503674277 UNYZFFPHTNSORQ-HNNXBMFYSA-N 441.883 0.767 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1690956842 ZGHVEYFRSYEXHJ-LJQANCHMSA-N 439.520 0.930 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1711073835 JUBAPROHMJZRIF-PXNSSMCTSA-N 431.518 0.840 30 20 ICED CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1724009175 BTMYOVHAFQBCRO-FQEVSTJZSA-N 430.534 0.944 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1729596993 OMBLSJJWTYGQKV-GHTZIAJQSA-N 444.561 0.897 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1750015652 OVHFSALYKZEDNR-YIFZBPKDSA-N 440.504 0.698 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1766400958 VFPIXMZGTMBDQU-UHFFFAOYSA-N 448.553 0.299 30 20 ICED Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1767492413 PKTUGVARSZZPQT-GOSISDBHSA-N 448.484 0.833 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778062171 LNGVZLZQCWMHNO-JLTOFOAXSA-N 449.464 0.955 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1778977938 AWWCAHFJFUSWKL-YDSTWLSQSA-N 433.549 0.790 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779197940 RIVGAWJIESPMJD-MXHNKVEKSA-N 427.498 0.156 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204893 YWGMOHGUOZZQEZ-NRFANRHFSA-N 430.461 0.359 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5ccnnc5O)C4)C3)c2c1 1779920554 HNFMSSMIYROVJC-NRFANRHFSA-N 433.428 0.687 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780015557 CTANYARSPHJDCN-FQEVSTJZSA-N 431.518 0.694 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1780344461 FLLBYCZYRPECNQ-GSHUGGBRSA-N 439.472 0.284 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1781269146 AAWPXAINRXCPID-OAQYLSRUSA-N 432.477 0.619 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1782060868 MGKPEAGDVBFQTE-LJQANCHMSA-N 438.406 0.989 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604195 APHHVRBKZUMWPI-TTYHFUOFSA-N 447.557 0.761 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n4ccnc4n3)C[C@@H]21 1784482165 FCLCKGRIWGJOQA-DWRORGKVSA-N 425.489 0.669 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1785572899 SINARGKDBWLAMQ-IEGUWTFLSA-N 447.532 0.771 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccncn3)CCO2)C1 1785574700 OOWAFLBQUKGAIK-JTSKRJEESA-N 443.504 0.837 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790271148 IHEJPDZBPKMGCU-WNHJNPCNSA-N 427.505 0.907 30 20 ICED COc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1OC 1791078092 ISRQOXCQYJESEZ-XEZPLFJOSA-N 434.420 0.524 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791710958 XCRZPECYEGUCGA-SNRMKQJTSA-N 431.489 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1OC 1792719627 NNAKPGZWTZZPKT-QVRRELRWSA-N 443.500 0.522 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1793354663 IYVGEEHCDRVOSF-DCXXXQMHSA-N 444.532 0.713 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(O)ncn3)c2c1 1793496169 SEDSHYWDWOXGFV-IVWMJMPLSA-N 433.428 0.447 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974709 XBJUGBQPUCMCIM-RCJHGTSTSA-N 427.505 0.598 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1795599769 JFZHQHGJUBHGCD-HGKCTWBKSA-N 439.516 0.666 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1797589248 GZXFKXHYKXNDIW-QFNVCVKDSA-N 444.488 0.581 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2nc(C)no2)C3)c(C#N)c1 1799237466 NYEVCRABFKOMRB-FAQVEIGNSA-N 439.472 0.633 30 20 ICED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801447072 GKHCHSXWKSXVEW-FLXSYLCISA-N 446.573 0.608 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCC1 1801548095 NGQJYNVCZXFZPX-MHORFTMASA-N 433.505 0.797 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801572574 QWKBJVYJMYMPJG-DPSNGIAXSA-N 436.553 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803647633 GGGDCASRRPQOCX-BQFCYCMXSA-N 430.461 0.705 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CSc2ncccn2)[C@@H]1c1cccnc1 1807577021 QGFZERFFJFZBRX-KXBFYZLASA-N 425.470 0.758 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810357491 QVHQKMOOFMHDIE-BUSXNMMMSA-N 442.480 0.303 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3c3cccnc3)c2c1 1812071696 GRGZEVTVODTJIG-MGPUTAFESA-N 446.471 0.817 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1812677032 NFODZGXMIPIDHJ-LZWOXQAQSA-N 427.427 0.799 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815769711 SLPOMGIAJUKWOF-RDBSUJKOSA-N 432.481 0.573 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819842211 WXANJZMEMJEDLH-JSGCOSHPSA-N 432.502 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCOCC2)CC1 1823743611 FFTASQMJHSTURV-PXDRNWIDSA-N 432.565 0.797 30 20 ICED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824960295 ILJMWRXIWGHHTF-LJQANCHMSA-N 427.611 0.812 30 20 ICED COc1ccc([C@@H](O)C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825660377 ICFSKMMDIGSDGM-KZULUSFZSA-N 429.454 0.885 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1829773854 XMZZFJYPOODSJL-CWZDDEHYSA-N 445.520 0.067 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831424098 DOCKUZVBRPGSLO-JLGINSKQSA-N 443.544 0.748 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831425385 CYIHYVDMEQYDLZ-JTSKRJEESA-N 432.521 0.809 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831427974 WOTNNSVVEJNFND-HRAATJIYSA-N 429.477 0.390 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)on1 1832568140 BYOASLIWRISLKV-UKKLRFBMSA-N 433.509 0.454 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccc3C)CCO2)C1 1833007962 LTGQDSYNDJUEPP-WMZHIEFXSA-N 429.517 0.817 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)n1 1834400555 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HAQBCPAOIKELIU-HNNXBMFYSA-N 436.509 0.128 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cnn2c1 1836949395 KKKPHDGLTCEGEX-QFIPXVFZSA-N 449.471 0.621 30 20 ICED O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1=O 1837135615 NXXOLZYJAUQBBB-HSZRJFAPSA-N 437.452 0.305 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1837400636 JEECDHALNNUMOC-JTSKRJEESA-N 433.505 0.739 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838514320 AOKUZWWYHBDAPZ-GCJKJVERSA-N 435.521 0.804 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525313 UMOKBDPTDRTXFN-FQEVSTJZSA-N 430.417 0.513 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1838737129 JRTAKLQWOHNGTB-VIRVFLBCSA-N 427.505 0.297 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839175670 XSIBUVLBUWQNLE-JOCHJYFZSA-N 447.488 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1839175897 KQCPMXJMRDQYGH-XMSQKQJNSA-N 448.520 0.485 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1839422392 QKOWHAWDRFXRPB-NRFANRHFSA-N 442.451 0.449 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485984 GMZPTZSWPOEAFF-OYHNWAKOSA-N 441.488 0.787 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839956349 NGBXAWRQTWORDG-QMHWCDLVSA-N 432.517 0.638 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1840466201 RKHVCGROHBMWHK-HSZRJFAPSA-N 437.500 0.799 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C5=COCC5)CCO4)C3)c2c1 1840562497 WMDKIYNZIVMRLJ-QFIPXVFZSA-N 437.456 0.809 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840819210 WGLWJSHKGAKYBK-OAQYLSRUSA-N 441.444 0.136 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN(C)C(=O)C(=O)O)C3)c(O)n1 1842298084 WMSJRGXTAUKMKU-UHFFFAOYSA-N 430.461 0.266 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1844237085 ZZKJRQBLIKWFGS-MRXNPFEDSA-N 427.567 0.435 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1845188854 OVNRCTMCGZOXJP-UHFFFAOYSA-N 425.445 0.416 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1847080976 XJVBYDKPHCDSCT-ZCCHDVMBSA-N 449.552 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1847261599 JOXHUOQUHPYALU-XSAZBNQGSA-N 448.479 0.790 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847789595 XQQBFFINFILDID-XIRDDKMYSA-N 434.518 0.467 30 20 ICED COCCCN(CC(=O)NC1(C#N)CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10503213 UFQBFLWFFDNMTA-UHFFFAOYSA-N 434.541 0.960 30 20 ICED C=CCc1cc(CNC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc(OC)c1OC 65322990 WVCVJNYCAUDCMD-UHFFFAOYSA-N 427.461 0.945 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)NC[C@@H]2C1 304991736 DHEZNYVSEPCGCX-ZOFXXKQRSA-N 429.521 0.674 30 20 ICED CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 427888655 UDNCXWDPDKYHKG-HNNXBMFYSA-N 430.896 1.563 30 20 ICED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446531440 OYWVYVNTMHKXJC-UHFFFAOYSA-N 427.505 0.900 30 20 ICED Cc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1S(N)(=O)=O 447173203 DICOABAOEYOGRU-UHFFFAOYSA-N 436.515 0.683 30 20 ICED N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 463348885 CTYSTPLOBWYMHF-UHFFFAOYSA-N 441.531 0.788 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)c1 463788702 HADQZSNUQSDSFO-UHFFFAOYSA-N 426.458 0.362 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)C(C)C)CC2)cc1 470575222 VFUOTTGDKLUJLY-GOSISDBHSA-N 436.534 0.973 30 20 ICED CC(=O)N[C@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)C1 475761411 QOANOJIAOQHIPH-RBUKOAKNSA-N 448.545 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCC[C@@H](C)C3)CC2)c1C#N 477912228 SZRXCTBTKIBHLF-ZHRRBRCNSA-N 429.569 0.876 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)o1 480929993 FAFMHAPBICPTGP-UHFFFAOYSA-N 428.470 0.367 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480960122 JRDUQLUJZJWUTQ-INIZCTEOSA-N 437.481 0.139 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481781069 OCHSQQBGAOGZEL-KRWDZBQOSA-N 440.518 0.744 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C#N)s3)c2=O)CC1 482557084 MJGVAGVGKMFBBQ-UHFFFAOYSA-N 439.566 0.891 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 482845934 RWFREROHSKTLMW-ZDUSSCGKSA-N 440.547 0.298 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 488663132 DNIZHSDVKVOESM-MRXNPFEDSA-N 433.424 0.859 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1 491175474 YTXGQLMMEIYHFN-UHFFFAOYSA-N 443.548 0.766 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 500927924 YRMLMBAFVCMJED-OAHLLOKOSA-N 426.514 0.686 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)S(=O)(=O)c1ccc(C#N)cc1 513261153 IUHIBFBQXJEWFF-UHFFFAOYSA-N 442.497 0.869 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 520434315 WLIMPLNNONUKTL-UHFFFAOYSA-N 440.570 0.579 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])s3)c(=O)n2C)CC1 541076443 LVOFHTVFQVKNJO-UHFFFAOYSA-N 433.515 0.084 30 20 ICED COc1ccc([C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)N2CCOCC2)cc1OC 550374988 AOXWRFBQHADDHW-SFHVURJKSA-N 430.505 0.955 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 555086670 TVOZIJFPMXWBNN-HDICACEKSA-N 442.497 0.342 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)n1 556531230 YESYTSMBSLJSTG-RDTXWAMCSA-N 426.864 1.509 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 557747149 VALFLYKGOXXGAJ-FQEVSTJZSA-N 426.521 0.315 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 557912685 XGIFBAZPZGEVAZ-UHFFFAOYSA-N 433.597 0.595 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(OC)c1 558460191 PAEFYOCCGFZYAJ-KRWDZBQOSA-N 436.534 0.893 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2=O)n(C)n1 572196886 JFXGYCMHNRCHIK-QGZVFWFLSA-N 435.488 0.171 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)nc1 576295518 JWRQMLKTILFJKR-OAQYLSRUSA-N 448.527 0.792 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1F 609450849 XZKAIWITBGIKAX-UHFFFAOYSA-N 436.468 0.984 30 20 ICED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727010551 CVUAVXUFXDKKQL-UHFFFAOYSA-N 438.440 0.903 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 731214393 JYDYYFIFAISTAG-UZLBHIALSA-N 434.518 0.550 30 20 ICED C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 732447131 ALFDHLJTPAANQZ-BZSIDJSBSA-N 435.506 0.824 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)cc1 747006610 HUPFNOXHCQHXAT-JJIBRWJFSA-N 449.533 0.613 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761035627 XPMQUCYZSSIKFR-UHFFFAOYSA-N 441.485 0.397 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C#Cc3ccc4c(c3)OCO4)cn2)CC1 762207904 UVCSIJDFPJHKHS-UHFFFAOYSA-N 428.470 0.882 30 20 ICED C[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 771890379 PWBSUHHXPLMGGS-JTQLQIEISA-N 429.296 0.914 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(-c3cnn(CC)c3)c2=O)cn1 772301305 KFTPXNUZCWJJTP-UHFFFAOYSA-N 437.529 0.832 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 784715859 LVWIMRZZIFUZKF-LJQANCHMSA-N 426.498 0.914 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)nn1 786012093 BSQCVGIDPPEOGK-UHFFFAOYSA-N 443.485 0.655 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 789118228 NTEOAIDPIVKJAP-FQEVSTJZSA-N 428.445 0.850 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)o1 796278579 IISAZFXEMNJZHB-DOMZBBRYSA-N 438.506 0.648 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CCCO1 804595855 CODIBBOHLSGXPV-AABGKKOBSA-N 426.517 0.297 30 20 ICED C=C(Br)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 805033733 FUJQOQTYFXQYLV-UHFFFAOYSA-N 429.359 0.852 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 808346619 IGHOFHGYCLHUAM-NHCUHLMSSA-N 445.564 0.375 30 20 ICED COCC1(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 811152055 MQKBXJQMFOQKQK-UHFFFAOYSA-N 441.531 0.584 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)Nc3sccc3C#N)ncnc1-2 815473915 OZILRRPKHZEZOO-UHFFFAOYSA-N 449.294 0.599 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)n(C)c1=O 916910692 SJIFLUNIIVUNMO-LLVKDONJSA-N 428.836 0.825 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCNc2ncccc2C#N)c1 917156240 GEKWZXCHLXNRRQ-UHFFFAOYSA-N 430.490 0.162 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 918157458 IDMBBWBVBKQKPR-KNTRCKAVSA-N 428.536 0.168 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCC(=O)N(C)C 1303849333 MDKVAIKVPADDJH-RDTXWAMCSA-N 425.559 0.887 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(C)(C)O 1303863952 XCUMJSMDNHXSIG-UKRRQHHQSA-N 425.559 0.226 30 20 ICED COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 1319187328 MISTXECYLLATLW-PBHICJAKSA-N 430.486 0.768 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1359474220 OVXJEAUVRFBMLR-NCOADZHNSA-N 440.570 0.879 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C1 1505140834 WHTOKWDZLCGUIV-SJLPKXTDSA-N 441.517 0.827 30 20 ICED CCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514261219 IVSRQUYULQCKSY-VPWXQRGCSA-N 436.582 0.908 30 20 ICED CCN1C[C@H](c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2C)CC1=O 1519542337 GSPLKHCBJZYSLK-MRXNPFEDSA-N 443.533 0.533 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCS(=O)(=O)C3CC3)CC2)cc1 1597483669 QJWDZPJOTXGMCH-UHFFFAOYSA-N 425.532 0.652 30 20 ICED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1613612402 MICCWKMBNYUQIL-VNQPRFMTSA-N 425.559 0.490 30 20 ICED C[S@](=O)(=NS(=O)(=O)NCCn1cnc(C#N)n1)c1cccc(Br)c1 1661867705 KWQBCFNLWQVWJH-HSZRJFAPSA-N 433.313 0.904 30 20 ICED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCOC1 1711634066 SYVFMECPXIJXRB-OAQYLSRUSA-N 426.477 0.813 30 20 ICED Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1729591913 XYMDYQKWHGLGPU-INIZCTEOSA-N 441.521 0.836 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)ccc21 1777866193 IGXLYBMXGIPIEN-QHCPKHFHSA-N 448.483 0.834 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779008332 PVHWUSMLDFHXSF-SBUREZEXSA-N 427.501 0.884 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1779199196 DEPYUOBWDYTDAV-RZFNWQHOSA-N 443.500 0.617 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1781321553 VHHSCUWJTUGMGF-XXBNENTESA-N 430.501 0.728 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1783567160 RNVKYSZYVJZUHF-JOCHJYFZSA-N 435.440 0.102 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c(Cl)c1 1790231343 RBZZYIAFFZLFNE-DNUAJFIVSA-N 430.892 0.941 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c1Cl 1790860349 SVQDOWPZFSJFDD-OTRWWLKZSA-N 430.892 0.941 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)ccnc1F)C2 1800451840 IAETUKOZXOERHH-WDAIWFPHSA-N 443.216 0.662 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)c([N+](=O)[O-])cc1O 1800986371 OQTWFBDUEBTCIY-OJLPPKNESA-N 425.463 0.831 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c(O)n1 1801064515 IRZYWRXYHMHYJP-MFCZKXCZSA-N 442.516 0.635 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1801385634 ZNRCEUMZCRJCBW-PQTWGXLHSA-N 425.485 0.348 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)c1 1801533473 GOGVWICZTDNRFN-XUMLPFHTSA-N 433.530 0.952 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)[C@H]1c1cccnc1 1802477139 NKRXEYRBZIABGW-JSWHFUAASA-N 441.532 0.861 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393474 ZCPSMBVFJJAUJR-XXTWNFAUSA-N 432.529 0.466 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530088 VEWPBTYZRLCIBB-GJZGRUSLSA-N 429.477 0.900 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1823521247 NMSRBKNORYOJIP-LZWOXQAQSA-N 447.540 0.604 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](C)S)sc3C2)CC1 1826019592 LIMWEEROVRMBII-WCQYABFASA-N 425.580 0.538 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826966202 LXORVQLQNCZXAD-PBWNMSGQSA-N 430.494 0.161 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1829900839 PKQVQWCLCGSTCB-HXUWFJFHSA-N 427.486 0.722 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)C 1831095790 MNTCTVXLHDEYIX-AVRDEDQJSA-N 445.520 0.507 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1831386867 KMIMJRVMOACODR-HTAPYJJXSA-N 433.480 0.648 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1831399098 ORYPAKGZQUMMAW-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1831420663 ZXMLULYRAMNTCO-JTSKRJEESA-N 448.520 0.182 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)n1 1831671639 UHEICGXHFSJLCY-SFHVURJKSA-N 442.516 0.995 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)CCO2 1832544997 XPJYJADUVMWJLU-QFIPXVFZSA-N 433.505 0.643 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1833473476 GZAMRZSFBFNYDE-HXUWFJFHSA-N 449.640 0.787 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)cc1 1833534263 PZYAREUSIKLBOH-HXUWFJFHSA-N 427.486 0.988 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1834084997 SLCHJNCBUHVHSC-HLQTZPMBSA-N 430.509 0.327 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835122556 HYDJYKYDAFIJCC-KHCKMINHSA-N 448.612 0.897 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675293 MJTWRUOKMRCABR-PGRDOPGGSA-N 435.569 0.209 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)on1 1835675564 WLCSKKDQPAWJNE-OAQYLSRUSA-N 433.509 0.264 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)o1 1836025812 TXOPESIXFHVTNJ-NRFANRHFSA-N 425.445 0.562 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837524266 DKBXAIXUOHLSGP-OVIGCCJXSA-N 433.465 0.076 30 20 ICED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1837886225 SFJQJMTYRLYXGE-MAUKXSAKSA-N 440.541 0.849 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838072983 QSEYCTPXOXUPRS-OAQYLSRUSA-N 441.444 0.136 30 20 ICED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C 1838734677 HILCGEYMKSGMAG-QFIPXVFZSA-N 439.472 0.982 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838737470 UKGFXISZDTWKLO-NRFANRHFSA-N 435.444 0.313 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1839172385 QNQQMRZAYOOWEF-UWJYYQICSA-N 438.521 0.503 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1839173597 AURVUPXSUFOUMH-QFIPXVFZSA-N 447.488 0.670 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1839175870 JKJXOJWFDONSKH-VGOFRKELSA-N 448.520 0.718 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839227605 VLZFBBFSJIWEHY-SQGPQFPESA-N 436.513 0.172 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1839453577 RZOGFHAWLYUGOG-PGRDOPGGSA-N 426.473 0.073 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570249 CRQPEYWMVJHSRG-XXBNENTESA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C(=O)OCC)CC3)CCO2)C1 1839761652 UYSAFPSBDZWSNZ-HRAATJIYSA-N 438.521 0.359 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839959330 HLKUVEQMZXCTQF-JXALWOEJSA-N 446.544 0.620 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038159 LJNJNNKKIZDOLK-IMRHEYAYSA-N 425.485 0.929 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1840160178 YNPHLFPWMZUFOM-ZMZPIMSZSA-N 439.925 1.000 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840166901 KGSYFBWVHZDGDH-QFIPXVFZSA-N 430.505 0.395 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840167697 GXTODDFIDMVCFD-OAQYLSRUSA-N 427.461 0.308 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840906139 VNZXHDDAIAKYQZ-QHCPKHFHSA-N 427.501 0.595 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1844235241 RSNZQHYIGKUUBF-GJZGRUSLSA-N 425.526 0.649 30 20 ICED O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259622 LMCFQGQSFOODQX-WSDLNYQXSA-N 444.561 0.567 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1847073577 IVMDGBUWNSJESI-OAHLLOKOSA-N 444.488 0.031 30 20 ICED COCCN1C[C@H](C(=O)N=[S@@]2(=O)CCCN(C(=O)c3ccc(C#N)nc3)CC2)CC1=O 2088596052 ASEMVZWIENLQDT-RKXCMPKHSA-N 447.517 0.289 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2ccc(Br)cc2)c1=O 30531641 VLLZWFMDPDMIHH-AWEZNQCLSA-N 438.278 0.746 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 32766888 AVYGPKRMPXECHL-LSDHHAIUSA-N 444.435 0.848 30 20 ICED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccccc1)n1cnc(C#N)n1 409566423 XVEAQKBIWZEKLZ-VYDXJSESSA-N 446.475 0.279 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 437434581 QXRZSHIZWVGBRR-CYBMUJFWSA-N 435.535 0.608 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 438733562 PMZNOCXHNABYFR-UKRRQHHQSA-N 438.531 0.597 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CO)c3c(F)cccc3F)n2)cc1 440676403 RQMBWISUSJVJNS-MRXNPFEDSA-N 426.383 1.265 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441956266 RWSOZYSOUULKHA-HXUWFJFHSA-N 447.879 1.545 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)c1C#N 460338490 JSQMDTHRLVLVRB-UHFFFAOYSA-N 435.598 0.545 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)Nc1ccccc1-n1cnc(C#N)n1 464649378 NLJOSOOTHAXCBA-UHFFFAOYSA-N 440.431 0.955 30 20 ICED CCCCN(C(=O)CN1CCOC[C@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 464886607 BCJCTWVCPDFIHZ-QGZVFWFLSA-N 440.504 0.937 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 465483920 QBSGERPCCIWPJJ-ZDUSSCGKSA-N 434.547 0.988 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471974303 XYFCHETZKFIDTF-IBGZPJMESA-N 426.521 0.675 30 20 ICED CCc1nc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 481760809 LHPGHWWPZPBJQI-AWEZNQCLSA-N 432.506 0.515 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 514309038 YMHNNPDGAKPIJY-CVEARBPZSA-N 436.509 0.818 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 515887678 RQVRHALXYQGMCH-QZTJIDSGSA-N 426.521 0.801 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 517977235 RHSSNOGZWQLUSI-UHFFFAOYSA-N 431.521 0.926 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cn1 522384369 VQGIXVVHCHAUSR-UHFFFAOYSA-N 435.509 0.477 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 527170395 BRDWONQFVJMZEY-QGZVFWFLSA-N 426.399 0.886 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 538168175 QUOJEOVPRHNLKQ-QGZVFWFLSA-N 432.521 0.599 30 20 ICED CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 538391144 LRNXVWHHGKFGLT-PXNSSMCTSA-N 433.578 0.930 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 538842297 IFKJOADOPJPBCC-UHFFFAOYSA-N 432.458 0.112 30 20 ICED Cc1nc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1-c1nc[nH]n1 540362481 XPERVVWBQRJBAC-UHFFFAOYSA-N 435.427 0.835 30 20 ICED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 544369776 AZKKDPWUIXLHAL-UHFFFAOYSA-N 433.490 0.906 30 20 ICED COc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1OC 550841698 HSVJSNWETNXKHA-UHFFFAOYSA-N 426.477 0.582 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 553424017 KAMZTHOFKWFAGJ-GOSISDBHSA-N 430.578 0.353 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)CC2)c1C#N 562101263 BQMTUWIEJUHSND-HOTGVXAUSA-N 429.525 0.012 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)n1 569953116 FHRNZJSBGKLOHM-UHFFFAOYSA-N 431.391 1.114 30 20 ICED Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 572044626 BCOXYMKMHHVVIN-XLIONFOSSA-N 435.488 0.076 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1S(=O)(=O)NCC#N 588001157 XJEXGIZTVSIUFJ-IFXJQAMLSA-N 433.490 0.390 30 20 ICED CN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)S(=O)(=O)c1ccc(C#N)cc1 603443436 INXBPSNMZSMFQH-UHFFFAOYSA-N 428.517 0.204 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2CCN(CC#N)CC2)cc1 611645178 XEAVIHXGWRKBBL-PKOBYXMFSA-N 434.562 0.776 30 20 ICED CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1CCO 614895467 UTWPNQWBPWCAHR-UHFFFAOYSA-N 434.562 0.874 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003916 ZBBVNLLFACTGRU-KKXDTOCCSA-N 429.473 0.694 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 726575715 NSIZJIDVDMNPDC-UHFFFAOYSA-N 430.445 0.811 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 728532738 IOJQNLUUIOMGLP-XMSQKQJNSA-N 444.532 0.610 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 728590024 SFJCWUSWIXLPJS-UHFFFAOYSA-N 446.451 0.034 30 20 ICED O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCN(CCN3CCOCC3)CC2)cc1 731557916 CKBJTIVBENTYGU-UHFFFAOYSA-N 425.511 0.798 30 20 ICED C[C@H](CC(=O)NC1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742515641 UXAHBWJGCXPVKQ-GFCCVEGCSA-N 428.536 0.044 30 20 ICED COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 743929356 RNMIEAOLAFUFDE-MUNYZGMTSA-N 438.506 0.312 30 20 ICED N#Cc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 751555343 ZQNNOTDCEWPPKP-CQSZACIVSA-N 430.483 0.364 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)s1 765145672 LDWBCKWJCQXXSP-UHFFFAOYSA-N 429.527 0.993 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCCOCC)c2=O)cn1 772278432 SMACJWLNCSMPFB-UHFFFAOYSA-N 427.530 0.759 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 779537661 WZKJFFJQWHBBHL-PYCFMQQDSA-N 435.550 0.992 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 782984904 VWJWCDNJFYNNBV-UHFFFAOYSA-N 428.529 0.855 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NCCNc2ncccc2C#N)[C@H](c2ccccc2)C1 787774304 GWSODSDQSAFSDC-NRFANRHFSA-N 449.559 0.976 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1 789787379 GLUAESTVFKZFFZ-UHFFFAOYSA-N 432.444 0.582 30 20 ICED COc1cc(OC)c(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 790101862 NUDDIMTYTFNRKJ-UHFFFAOYSA-N 439.472 0.944 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1cc[nH]n1 794294697 CPDVSAUTHRREDX-UHFFFAOYSA-N 432.368 0.528 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCCOC2(C#N)CCOCC2)c1 809083634 OLKBHYTWCKLATP-UHFFFAOYSA-N 441.506 0.511 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 919547796 AXJNIVYLOHZHNY-SUMWQHHRSA-N 445.501 0.907 30 20 ICED CCN1CCC(N2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1299520696 MVLXLARAMQMNRH-UHFFFAOYSA-N 433.578 0.744 30 20 ICED CC(C)(CC#N)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1474837312 IIEDLIGBBXPXBL-UHFFFAOYSA-N 429.568 0.393 30 20 ICED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 1516676222 WSTDWOKGCMIZOC-GRYCIOLGSA-N 425.488 0.532 30 20 ICED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517600746 QQNWXISVQODKTH-UHFFFAOYSA-N 437.508 0.130 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546529691 YQULLWIKBBDHDY-FQEVSTJZSA-N 448.524 0.727 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CCO1 1554452459 XRZLITSMKMMXSH-QAPCUYQASA-N 427.509 0.630 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1614346768 JJWUMNXPXSOFIQ-DEYYWGMASA-N 443.549 0.883 30 20 ICED COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1698064028 SVRQDLJXURZGQT-HXUWFJFHSA-N 449.533 0.466 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1706022192 SSSOOQVCGOKQRN-GOSISDBHSA-N 445.549 0.813 30 20 ICED CCc1cnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1708967488 KKGCFZYFLHCTNN-NEPJUHHUSA-N 425.540 0.684 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCO1 1722845801 YRBSDRBOODAEQT-DENIHFKCSA-N 439.520 0.225 30 20 ICED CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1767733630 PDCNZFPMOWUKDP-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115213 QFNZSWGEABUBMK-APWZRJJASA-N 447.623 0.442 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066340 QUZFEMPGFRVCOU-QHCPKHFHSA-N 427.501 0.527 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779084055 GZDQJCAHPGZKJD-IRLDBZIGSA-N 447.919 0.172 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779347003 DVRVKRCKQAUWCU-JOCHJYFZSA-N 446.504 0.878 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c1 1780169553 VJDYSPGQOUFGSV-QFIPXVFZSA-N 428.489 0.879 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 1780602716 NVOUVSVHCZZNOJ-FTFYGEEPSA-N 430.480 0.548 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172845 YLTLNQOEIXAVGU-PGRDOPGGSA-N 443.504 0.386 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300311 NGZMTVUXEFEDOJ-OYHNWAKOSA-N 445.495 0.777 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903359 PJIQPKYCJJPPEK-YJYMSZOUSA-N 449.305 0.899 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1782183583 KDVSUGQIOAYCBP-QRDCCXFBSA-N 431.555 0.662 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](O)CC2)C1 1782323370 PIQFIZLSIYXGNU-UUDNIHLPSA-N 433.549 0.910 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1782851976 JUIYLOPYCFMFDK-ZHRRBRCNSA-N 443.504 0.756 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)cc1 1784276699 NWTKIWQWFNMIAX-UFYCRDLUSA-N 440.500 0.923 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785574065 NGNOZMJOSYKSQY-QAETUUGQSA-N 432.521 0.965 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccncn3)CCO2)C1 1785574699 OOWAFLBQUKGAIK-HTAPYJJXSA-N 443.504 0.837 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21)C(=O)O 1786893919 HXJXOXMGISJVLD-MUGJNUQGSA-N 442.516 0.533 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638998 XTZLFDCSUBQAIV-FYQPLNBISA-N 447.576 0.970 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788716335 JCHDGGNWTLANBZ-SZMVWBNQSA-N 442.520 0.282 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CCOC1 1789914154 XOELSCYRTBNRLB-VCAMNPENSA-N 436.509 0.564 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C)nc1)C2 1792484717 YLAQMERZFDARKN-NKRJEPTASA-N 426.517 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1OCC)C2 1792485557 CWKPHJOWLDVAPX-XJPXHFRYSA-N 428.489 0.542 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)c(=O)[nH]c1C 1792558577 BLVCGAFAVNMSBB-OPVJXMOQSA-N 435.484 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nn[nH]c1C(F)(F)F)C2 1792566441 CGHFJJAVOWCWKF-OSOWDXQVSA-N 426.399 0.934 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1)n1cnnn1 1792837354 JBPTXUKVNFYIMQ-JNNRSPCRSA-N 428.880 0.529 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793086352 VULPCGGTLRUCBR-ZMMAXQRCSA-N 435.521 0.625 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793364342 RHOLETHJHVYPTI-IGKMUWSCSA-N 443.522 0.011 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277974 VTHLMWNZYIXDSO-JTGVTXRMSA-N 434.453 0.959 30 20 ICED CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)o1 1794602425 ZLEUQAHCGAIAJF-HGKCTWBKSA-N 430.505 0.642 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)c1ccccc1 1795642527 YVSBQYVTRJFYJY-YWQQVWADSA-N 441.528 0.836 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1797782790 UPXZEIBVMMTLIM-UPHUGPLXSA-N 442.516 0.567 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797793497 PLQFOEZGOZYZKB-QKPAOTATSA-N 432.420 0.282 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1797810274 OEPSLEYEIHXBHN-MYGJJTSUSA-N 437.884 0.862 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)no1 1798494590 RZDCGLIPRGSSSZ-OSBGANBLSA-N 447.492 0.880 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c1 1801919133 JBWJGUOJGAABDS-DPIQGUFMSA-N 425.894 0.860 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@@H]1c1cccnc1 1802895382 XBORLZLVSBUYEA-MWRLGJARSA-N 434.496 0.900 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CCC1 1807360135 OHKJTSDDDOHOCL-QAPCUYQASA-N 446.471 0.826 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822196449 FAOZPRIEZFITGK-UONOGXRCSA-N 449.464 0.375 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1826893028 VXHWZJAKOJTWTH-QZTJIDSGSA-N 434.585 0.481 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829859247 CFTRFYHYECIVKK-DENIHFKCSA-N 428.489 0.543 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1830462788 NUTFXRJROCJHGI-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1831386618 BDVCWIGZJOBYEC-NRJQMVOHSA-N 437.537 0.032 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831397118 UNYAGZNEUWBBCP-WAIKUNEKSA-N 441.484 0.038 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1831419421 MYQGJXGSJMKJOU-IIBYNOLFSA-N 426.510 0.766 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831434530 YRTXLWZUHXFFMC-YCRPNKLZSA-N 447.467 0.530 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831488029 VHBHBDZUFDRBFQ-JXFKEZNVSA-N 426.583 0.679 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831492290 JJGCBHZXFNHTRI-KNBMTAEXSA-N 437.566 0.688 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831499261 SSKKMLGIIVVQMM-PBHICJAKSA-N 429.568 0.308 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887361 AUNBDYXZTFRWTH-HTAPYJJXSA-N 433.505 0.028 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197869 BXVINDXPACMDKC-JTSKRJEESA-N 443.504 0.479 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1832460947 KNCXGATXPBTJDR-HNAYVOBHSA-N 430.523 0.924 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715319 TUOOCFWEUKWVJR-GOSISDBHSA-N 449.600 0.287 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)s3)CC2)CC1 1834853177 UNYJKBBDLCQABY-HNNXBMFYSA-N 433.578 0.999 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834867857 VZVUNDVHJGDMBR-KRWDZBQOSA-N 444.532 0.619 30 20 ICED C=CC[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1835556194 XYSOTJDTKVREMC-IERDGZPVSA-N 440.541 0.261 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835681258 VVEIOPSWLUWUNM-PGRDOPGGSA-N 435.569 0.066 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835709514 RNSCBCVBMIBQRH-HNNXBMFYSA-N 443.552 0.779 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1835768525 IZUYPRFWXIKVNJ-QSMOGFDSSA-N 448.564 0.979 30 20 ICED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835886464 XQIPMPGAOKNADY-YBTWFPHOSA-N 440.541 0.360 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969259 ABQKHZZTWVDKFQ-WMZOPIPTSA-N 430.958 0.947 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c1 1836258529 VJHUNJCEYNZMQH-UHFFFAOYSA-N 437.548 0.583 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836884282 WZKDHZMQDHDYKV-GHTZIAJQSA-N 443.610 0.590 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836973447 SQMGLCUYHWKIHC-QFIPXVFZSA-N 430.505 0.929 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837396288 ARIBNMDWPXGIQE-PGRDOPGGSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1837398770 IGWMSELPCKIJDO-AVRDEDQJSA-N 434.537 0.626 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1837488532 JDQAFFNBJONONR-OAQYLSRUSA-N 433.530 0.912 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837524342 FZVUQAZIIZFXMK-WCNTUGILSA-N 448.476 0.386 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738290 ZPFRISPFTOOPEM-KSFYIVLOSA-N 438.488 0.852 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C2)C1 1839809807 MKPYEOKABNGUDF-HTAPYJJXSA-N 435.521 0.936 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](S)C(C)C)C4)C3)(C1)C2 1840004678 KPVNPMDNUSQPOZ-DTBAYKQASA-N 440.562 0.741 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038245 NJNLYVUTUJIRDL-GLYQVZKVSA-N 437.496 0.766 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4scnc4c3)C2)C1 1840042187 GHABKYFFINHCIA-FQEVSTJZSA-N 429.454 0.454 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840141638 NAHPJKBRCCTFHQ-GSHUGGBRSA-N 431.489 0.502 30 20 ICED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1840799003 KONMTTBXZJQKIV-XMMPIXPASA-N 439.512 0.676 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840817995 FCUKFRHSVBAAII-OFNKIYASSA-N 443.500 0.963 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1840819165 SLWGFFGLNVNEGO-NRFANRHFSA-N 426.429 0.695 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840851718 QLRZFXQXQHLQSU-PLMTUMEDSA-N 425.526 0.339 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258999 TZQITMGPBYAZHC-BFTVFPACSA-N 437.541 0.547 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccco2)C1 1844342940 BFLQCYLDCNTCFM-MKKAVFGOSA-N 426.473 0.514 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)ON=C(C)C)C1 1845255670 LSMCNYVFOAJDPT-GOSISDBHSA-N 443.541 0.687 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1845521679 NZPBAUMPCWBACX-UHFFFAOYSA-N 430.530 0.414 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2ccc(C#N)c(N3CCC[C@H](S(C)(=O)=O)C3)n2)C1 436349395 CKYJDNXLNFJTMA-HOTGVXAUSA-N 426.564 0.980 30 20 ICED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 439948715 YYFNJOBUNVGXEL-QBPKDAKJSA-N 449.485 0.444 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442291007 JRUAKNQJAAZGSP-INIZCTEOSA-N 444.467 1.115 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)C1=O 443336608 VYANVCPBCWRNRB-SFHVURJKSA-N 443.504 0.583 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445196982 NYUKLZOIVPAQRZ-HOCLYGCPSA-N 431.836 0.861 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 472436382 YFPLHAYQRUKFCG-UHFFFAOYSA-N 442.925 0.128 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472890506 WEHJITGHNFZRRK-UHFFFAOYSA-N 435.488 0.803 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 478115932 JTNWKDXLGCOPAV-UHFFFAOYSA-N 429.506 0.355 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487110199 IEMZYHUUOCQHCC-HXUWFJFHSA-N 440.548 0.949 30 20 ICED COC(=O)C1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487711751 OSHJOSJNUUUZOU-OAHLLOKOSA-N 436.534 0.616 30 20 ICED CCN(CC#N)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 492183250 TUHJLDIFZJGMQT-GOSISDBHSA-N 436.534 0.834 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[nH]c21 508122970 YULXMRNUKUAPGD-CQSZACIVSA-N 435.444 0.478 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)n1 508330755 IDFPREZESDCACO-UHFFFAOYSA-N 438.492 0.719 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N=c3cc[nH]cc3)CC2)cc1 524357713 JJKDYMPQHQYFHN-UHFFFAOYSA-N 441.513 0.921 30 20 ICED N#Cc1c(F)cccc1N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 532749378 YWLRBMHLRXNMQB-UHFFFAOYSA-N 425.464 1.000 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 540547682 LTDGHMKHXBEUCV-DLBZAZTESA-N 439.607 0.718 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 546595301 UDSXKVFBMVPBRF-QZTJIDSGSA-N 437.504 1.146 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CCO1 550512985 LHJBKHJOLBPAHR-KRWDZBQOSA-N 449.515 0.538 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2=O)c1 552801328 CVDIRBGBNIADDO-KRWDZBQOSA-N 448.483 0.532 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CC2)c1C#N 557888359 VTMFSIRAUFWMHB-ZDUSSCGKSA-N 426.525 0.347 30 20 ICED C=CCCOCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 571057678 AFUVLJZDZVJVCN-UHFFFAOYSA-N 431.536 0.094 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 573357511 BYQGKZVKUHXDLQ-HNNXBMFYSA-N 439.476 0.185 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1cncs1 578680972 CJZMVTFFMNQISO-HNNXBMFYSA-N 442.567 0.907 30 20 ICED CCc1cc(N2CCC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)ncn1 578872213 VXEATBHHUBMZTI-UHFFFAOYSA-N 428.518 0.974 30 20 ICED N#Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 604040773 SXCAIRFMSHHMEL-UHFFFAOYSA-N 434.562 0.939 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(=O)N(C)C 609416670 ACMHNGPWRABZMM-UHFFFAOYSA-N 432.571 0.651 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 617610817 WSPDICQDHKOVJV-UHFFFAOYSA-N 446.489 0.633 30 20 ICED NS(=O)(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 674222256 LXXPKCYKSXSPLI-UHFFFAOYSA-N 446.554 0.519 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccc2)c1=O 679753308 NGBKEPYREYYOFC-UHFFFAOYSA-N 445.566 0.721 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733170541 OQBSMYCYXYVAQD-KRWDZBQOSA-N 435.594 0.895 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(F)c3)c2=O)cn1 743727983 IJIDWVYEHNHLTR-UHFFFAOYSA-N 425.445 0.916 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)NCC(=O)OC 744594227 OMAQDMDXOZRJLH-ASSNKEHSSA-N 429.429 0.372 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC 753013432 IZRVTAQWVFKANL-ORAYPTAESA-N 441.506 0.968 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758066772 CGHWGXJXLNEQNS-MRXNPFEDSA-N 440.550 0.976 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758644398 ZXTXRMDVKMXMRD-IUODEOHRSA-N 444.535 0.632 30 20 ICED N#CCn1cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 765346548 WWDGMTAYJCBPOQ-UHFFFAOYSA-N 448.480 0.798 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 766051674 IMFQKXWRUYBGRJ-AWEZNQCLSA-N 427.398 0.932 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2nnnn2CC2CC2)C1=O 769748955 HFLJKNYVMBQIKL-RHNCAKJLSA-N 428.522 0.657 30 20 ICED C[C@@H]1CN(C(=O)Cc2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)C[C@@H](C)O1 771225069 SIJSDWFVZWLRST-ZIAGYGMSSA-N 447.517 0.919 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 776142260 BUQLDRYWRNRICT-UHFFFAOYSA-N 445.519 0.325 30 20 ICED C[C@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 776417474 PZNFIVBLESVJQK-HOTGVXAUSA-N 435.502 0.749 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784184191 CJYOOBDECLNVNA-IAQYHMDHSA-N 429.882 0.473 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787760615 UKMBTRKRTMYJQW-GOSISDBHSA-N 436.472 0.407 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1ncccc1F)/N=C1/NS(=O)(=O)c2ccccc21 791948155 YWRLXSWOZLRSCV-JTQLQIEISA-N 426.451 0.543 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 793733371 MNWKQRBOBGDJLR-IEBWSBKVSA-N 441.532 0.250 30 20 ICED C=CCN1CC[C@@H](N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 799141296 SKSNTKPVIHXGRX-MRXNPFEDSA-N 428.555 0.340 30 20 ICED C=CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800780111 JVMFPIMGEOYCHM-OAHLLOKOSA-N 445.611 0.692 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)[C@@H]1CCCO1 809307832 CXLIZBHOMMSTDK-WBVHZDCISA-N 435.427 0.869 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 887546166 DRPXIUCPNPYEQK-IJEWVQPXSA-N 441.506 0.275 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNc2ccc(S(N)(=O)=O)cn2)CC1 914697900 XZOGSIMHXDUGRR-UHFFFAOYSA-N 427.512 0.322 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 916777965 ZQTDKYVHFUIZEU-QGZVFWFLSA-N 429.433 0.764 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917781621 PSCIWHVGCJGVHL-UHFFFAOYSA-N 435.509 0.652 30 20 ICED N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1230295980 OIYXTKQSBIGHGD-DLBZAZTESA-N 448.549 0.626 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1251843059 NUVUZXUYKRSYHV-IRXDYDNUSA-N 430.486 0.941 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCN(C)C1 1287218408 XHQCIGSMDNPJGD-HRAATJIYSA-N 425.541 0.845 30 20 ICED Cn1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n1 1298843049 SXKSYEWBLNESTG-INIZCTEOSA-N 448.553 0.523 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1359469021 WGFPSJHHCXSRMK-CQSZACIVSA-N 443.537 0.968 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC4(C3)OCCO4)CC2)cc1 1470335709 MQBKGMBFYSJEJA-UHFFFAOYSA-N 448.545 0.524 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1510198384 NDSJJZHENRUZEG-LBTBCDHLSA-N 426.543 0.558 30 20 ICED COC[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555235610 SHCRNRNMXGPHRJ-WMLDXEAASA-N 441.540 0.752 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618180430 HYHOWWVGZCMTFI-BEFAXECRSA-N 448.570 0.992 30 20 ICED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1618278441 UFNFGQZOSWZADG-QWHCGFSZSA-N 436.460 0.403 30 20 ICED COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1619662682 SYBWEKGRHDJMNH-YOEHRIQHSA-N 434.522 0.812 30 20 ICED CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1645408144 ORLNFZAPLSXMMH-UHFFFAOYSA-N 440.547 0.063 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1749083867 LOXJJOYIZHYQCU-NHYWBVRUSA-N 449.375 0.759 30 20 ICED CCN(CC)C(=O)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1764868118 LGZLXNQOFMVXFI-RDTXWAMCSA-N 443.549 0.979 30 20 ICED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1767943682 JMNRMOZVUJUJOP-OAQYLSRUSA-N 425.493 0.772 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1781736225 DIVSHWBLWQAPIV-WAOWUJCRSA-N 441.594 0.443 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781757331 CDIYNXQUHSTPEZ-SGCYSOCQSA-N 427.505 0.701 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1782060850 LDSGVJDHPVNYMS-FGZHOGPDSA-N 429.473 0.926 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1782641697 MTWPBSVMGFSKEO-JOCHJYFZSA-N 443.573 0.805 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)cnc3O)[C@H]2C1 1783397949 HHLIHHFQYWSMHH-VYOOZTROSA-N 448.907 0.892 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1784032078 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446.548 0.411 30 20 ICED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792486572 NTHNHUJOEVVJEA-XOIINTDNSA-N 442.501 0.734 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c1 1792580616 NXIJSYLYTDSJPZ-REGYPHIPSA-N 426.473 0.296 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CC(O)C2)c(C(F)(F)F)n1 1792891144 KNIUQDCXHTXGIN-BHCYSEDNSA-N 438.406 0.946 30 20 ICED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)C(F)(F)F 1793694511 RHIAAWNZCSXEND-QOIYZWAUSA-N 441.406 0.840 30 20 ICED 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)C#N)C2 1795582196 TZJIUDYOWHBURI-QKPAOTATSA-N 437.541 0.368 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)ccc21 1796982514 KVGMCQYBBGNHQQ-HGKCTWBKSA-N 437.500 0.774 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c(=O)[nH]c1C 1797808549 JKOKCBMSEBOWAG-VLKJZKPKSA-N 447.492 0.119 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2 1798266812 KWARUGOYGVWXJS-LJPSSGMGSA-N 440.460 0.751 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O 1799073604 RYFDTNDFUGXGLP-HXFPYSNGSA-N 437.418 0.374 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(C)=O)c(C#N)c1 1800534628 GDFWQZKJPKFKAD-SALMDCRWSA-N 428.489 0.224 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986478 JKPZSKWTNQDNJR-QKPAOTATSA-N 435.477 0.349 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1802479745 BFQCOTUSMUTDHY-FSUILIFRSA-N 443.504 0.009 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1808846277 UKJJFPWTWMCLGO-SZVBFZGTSA-N 429.525 0.728 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)C1 1809770911 HFTLVMAGCADEGD-OAHLLOKOSA-N 432.525 0.098 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812388779 PTVKKBKCODPIRM-YLJYHZDGSA-N 446.504 0.613 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813039950 PIJWITQWFMSLBV-GHJWDPDVSA-N 427.490 0.451 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1828030181 PAAPNXQGYHAIKF-GFCCVEGCSA-N 438.469 0.882 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830051069 VXXCHDTVWBHBDO-GCJKJVERSA-N 431.489 0.735 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1830061473 GSDQCZJJPNUCEX-JOCHJYFZSA-N 426.473 0.801 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830213476 IXHBZPLQHNDECQ-PGRDOPGGSA-N 429.473 0.489 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831426449 LVQCTCMZYCHDIT-VFNWGFHPSA-N 435.477 0.899 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831426489 MGSHRGTUNQXYMU-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831427272 SUHSOSUERNGRPD-QMHKHESXSA-N 443.500 0.591 30 20 ICED O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)O1 1831568016 QIHFEZFHPISYAR-LSJWFLLGSA-N 449.485 0.052 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831817274 YOTUORRDBZBINP-LAUBAEHRSA-N 435.525 0.908 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1832000419 ORMJAQVBVUSFDM-CKJXQJPGSA-N 441.525 0.293 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1832456693 VTEXNBJTLRJHQN-HXUWFJFHSA-N 431.518 0.719 30 20 ICED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)C#CC5CC5)CC4)CC3)CC2)CC1 1833429005 SVAKJDWLTBYKKW-UHFFFAOYSA-N 441.620 0.751 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833657094 XWCXCNOYPXHGIB-MGPUTAFESA-N 431.518 0.656 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1833814032 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1837134130 DGWMBNOZLNFARD-QHCPKHFHSA-N 439.468 0.858 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)c4ncccc34)CCO2)C1 1837187222 VIMHRZBPGBWMBZ-HXOBKFHXSA-N 440.500 0.682 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837373000 NGIMHPMZQCXNSG-XIKOKIGWSA-N 439.925 0.771 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1837393554 VHYPZDJRSGIRGV-CVDCTZTESA-N 431.533 0.962 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033195 AKZFPNRHEOVUPR-KUHUBIRLSA-N 428.436 0.939 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccn(C(F)F)n4)CCO3)C2)c1 1838036438 JRUOKUHNWZXHHY-LJQANCHMSA-N 434.403 0.862 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1838908464 AVKCVBSHUGGCMZ-QFIPXVFZSA-N 437.456 0.497 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1839066097 GANIOEVJSNVJBG-YCBLCKBMSA-N 435.569 0.256 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CCCN1 1839187831 ZVXQYALNWGVJNH-DHIUTWEWSA-N 444.507 0.838 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839226022 BMOLKWYZZRGSNJ-AUUYWEPGSA-N 437.453 0.794 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1839228268 XWQNMAHNVGDNTM-YCRPNKLZSA-N 444.492 0.829 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cc[nH]n5)C4)C3)c2c1 1839487867 ZHMVDZLWPBUVNO-NRFANRHFSA-N 435.444 0.541 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1839806048 YTRHGUHDYIVODE-PEOGOYOCSA-N 433.505 0.474 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1839886960 RRTUMTOOQNCRNL-RHSMWYFYSA-N 438.493 0.335 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1840163220 FLLBOCNKSVBKOE-HTAPYJJXSA-N 449.573 0.912 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840572577 HADUFNCZRDMHIJ-SBUREZEXSA-N 426.517 0.945 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840840876 RLIVVARESXRGDV-OAQYLSRUSA-N 434.514 0.574 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840851749 QPSUQQIRDRMXFH-XLIONFOSSA-N 427.567 0.667 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1843325668 UJBNPVVAILSFKR-CPHRPENTSA-N 434.493 0.788 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C[C@@](C)(O)CC(=O)O)C2)c(C#N)c1 1846381826 LKXOQVLDBGFLFA-OAQYLSRUSA-N 429.473 0.929 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O 10163959 ROLGTWXVDBNMDR-UHFFFAOYSA-N 449.515 0.430 30 20 ICED COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 15527738 AGHJUVMNXRFISE-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(C(=O)NCC(N)=O)cc3)NC[C@H]2C1 305002605 HTJZCNNXCSRWNU-INIZCTEOSA-N 430.509 0.282 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 426718660 XTORFGYHZUAXDT-UHFFFAOYSA-N 448.483 0.776 30 20 ICED Cc1sc(NC(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 427020664 CFEAKPQGMJHQRU-UHFFFAOYSA-N 440.595 0.285 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 427499931 PYEMVNJBDLCJCB-ZDUSSCGKSA-N 449.393 0.913 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)cc1 433660879 NKJHXMAAPMYNEA-UHFFFAOYSA-N 440.481 0.645 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1=O 439342860 ACDCBAWRJFVILR-GOSISDBHSA-N 435.550 0.873 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441950642 CVLUSEDGEDBAAI-HUUCEWRRSA-N 445.566 0.806 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)c1 441957014 TWRKAMAZIZRECW-MRXNPFEDSA-N 427.526 0.983 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 444494480 AHYOVWXJRCWWLN-UHFFFAOYSA-N 434.416 1.204 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2Br)c1=O 462444691 LIKGQXLUQUYHIN-UHFFFAOYSA-N 440.344 0.633 30 20 ICED CCN(C)C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464793906 PXDQQOWIQRYSQO-SFHVURJKSA-N 433.578 0.665 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)cn2)C1=O 466505269 KQANLZNJFXIPGY-MOPGFXCFSA-N 439.516 0.799 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 473005958 WNUBDNVJOITNTH-UHFFFAOYSA-N 448.505 0.227 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C3CC3)c2=O)n1 477032607 INWNORUGUJPHHR-INIZCTEOSA-N 440.525 0.837 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 480929986 DXSQTAYNEHJTGO-UHFFFAOYSA-N 441.494 0.145 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 482392629 VGJWBPICNXXYDA-CZUORRHYSA-N 430.490 0.270 30 20 ICED COCC1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 487143928 CGRQPAYKBSHGMQ-UHFFFAOYSA-N 425.467 0.835 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)c3cccnc3)CC2)cc1 501217949 OFGKTVFKZOPYFY-UHFFFAOYSA-N 442.501 0.399 30 20 ICED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 520914309 HKNRLNMYXOZODG-AWEZNQCLSA-N 449.475 0.185 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251626 CYAAZWKAMPJZCN-UHFFFAOYSA-N 439.522 0.484 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 537211171 NPZYXNOQKGULIO-IRXDYDNUSA-N 439.607 0.861 30 20 ICED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 537497270 QSUASUPWWGITGL-HNNXBMFYSA-N 436.534 0.488 30 20 ICED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 541139100 DVAGTFBNOGUAFM-ZDUSSCGKSA-N 428.836 0.988 30 20 ICED CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556127258 BXDBWIXUAGICHP-UHFFFAOYSA-N 427.299 0.658 30 20 ICED CN(C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 561730294 ZIJVFTLGHKUXNM-OALUTQOASA-N 447.561 0.972 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 562834492 QPHUOLMPKKCEDP-UHFFFAOYSA-N 433.512 0.977 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCCC4)c3)CC2)c1C#N 579621538 KQKVJKGUYXDNSI-UHFFFAOYSA-N 436.520 0.560 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 582929626 OPDYEXCZNOWZAG-CTNGQTDRSA-N 428.533 0.778 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596103958 MQMLSDVVFKFODT-AWEZNQCLSA-N 430.494 0.450 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 728571213 YQWFJYMTVYBTFL-UHFFFAOYSA-N 439.560 0.083 30 20 ICED COCCN1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 729070980 WEJWCFSKLNACMC-DOTOQJQBSA-N 439.472 0.627 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 737304645 BBGJVNMQPMXLEO-UHFFFAOYSA-N 445.497 0.566 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1OCCN1CCOCC1 746175774 WYPWDQRBRWNQKB-DQRAZIAOSA-N 428.489 0.930 30 20 ICED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc21 746989966 KKAVCTHDPFLOKU-UHFFFAOYSA-N 437.460 0.590 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 747738221 YJGLVECIOQDYPS-UHFFFAOYSA-N 449.529 0.318 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 747785202 ZZFKFLJQJPVTSO-UHFFFAOYSA-N 437.518 0.536 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cn1 749869734 IVNIUHYFCYHYHA-CQSZACIVSA-N 441.557 0.679 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1C#N 752396177 FNIAJKHCEOXWLE-CQSZACIVSA-N 444.492 0.769 30 20 ICED CCN(C(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 754294193 MTRUMFCWUWGIEZ-KRWDZBQOSA-N 438.550 0.320 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CCOC 755629057 XWBOLTXYURJQCG-UHFFFAOYSA-N 439.896 0.614 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1F 756693520 VWFUZDXCRAAPDW-FMQUCBEESA-N 444.467 0.618 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccn(C)n2)c1 761074171 RXAOHJKQXNUYRZ-HAVVHWLPSA-N 432.506 0.530 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 762941691 UDCFYTSWZGOBOI-CYBMUJFWSA-N 444.469 0.184 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CCOC 769886282 LTIDBURZQDGPLT-UHFFFAOYSA-N 439.541 0.955 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)cc1C#N 774011766 GNDLTNGKWPIHRZ-PBHICJAKSA-N 448.476 0.938 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C=NOC)CC2)c([N+](=O)[O-])c1 774324932 BSDMSOIYTIJIRY-UHFFFAOYSA-N 427.483 0.906 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCN2CCNC(=O)C2)C1=O 781103849 CQDRVFWCCMQHGF-HNNXBMFYSA-N 437.497 0.334 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783880112 GYBSMOANEOANAT-SNVBAGLBSA-N 433.450 0.067 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4C)nc3)CC2)c1C#N 787480600 DNZLZYHWPOLQMS-UHFFFAOYSA-N 447.503 0.454 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 789119632 RQLFWSYARCFHEX-IERDGZPVSA-N 440.456 0.822 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795198414 WLMLYHJTXZNDLM-MRXNPFEDSA-N 431.521 0.965 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 802722922 PXOYBLJGBRKBKR-UHFFFAOYSA-N 449.492 0.930 30 20 ICED CN(CCCC(=O)NS(=O)(=O)c1cncc(C#N)c1)C1=NS(=O)(=O)c2ccccc21 813984500 SZEOHOGURCOHPZ-UHFFFAOYSA-N 447.498 0.619 30 20 ICED CCn1c(CCC(=O)N[C@H]2CCCN(O)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 816756078 PIJYYDMAIIDCDH-AWEZNQCLSA-N 437.522 0.736 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 854380509 NDVQIZLPPUNCPZ-LBPRGKRZSA-N 443.437 0.982 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)N2CCOCC2)cc1 918597182 JBFXVQFLFPPLHE-UHFFFAOYSA-N 428.470 0.836 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 920652649 CFLFPYYJNOWLNK-MFKMUULPSA-N 442.266 0.483 30 20 ICED N#CCCN1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1225031179 NYXSMWWGANYRHZ-GOSISDBHSA-N 435.550 0.885 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1303850769 YVYHKSLTLRWLHF-GRDNDAEWSA-N 444.583 0.453 30 20 ICED C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 1339082890 OHMRETDDQUDEGM-APWZRJJASA-N 426.521 0.763 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1502370521 LMSGKAVYJVQAKQ-PXAZEXFGSA-N 429.522 0.493 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1504264701 VYDMAJNVVKYPOT-OLZOCXBDSA-N 437.526 0.945 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1509957964 XCNUYPVQVPGMBT-VQHPVUNQSA-N 440.570 0.900 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1517124749 KOLQAQPTHNEYOC-INIZCTEOSA-N 426.506 0.865 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1541928249 YKCRVYXLGDYWGO-SJKOYZFVSA-N 427.506 0.389 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1554125049 KARFKCXQNDDDJF-OAQYLSRUSA-N 442.545 0.980 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1CCCO 1611677095 IWWAMZQJYAXYNL-NVXWUHKLSA-N 439.586 0.475 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1695911218 XOVWDDRCDWHFGG-RTBURBONSA-N 444.584 0.403 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1696929898 JTVKTFUBTPKYBA-LJQANCHMSA-N 431.522 0.328 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1706075493 OSAJSLMLCWPCPG-IIDMSEBBSA-N 426.543 0.776 30 20 ICED CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745795709 NYGJMOZMRPDFLY-UHFFFAOYSA-N 432.492 0.855 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1748299764 OWTAHKJANYSYCA-AWEZNQCLSA-N 436.494 0.144 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1763083030 VFFDDXWADYWKRE-GDBMZVCRSA-N 428.518 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887148 SSFBKIYIJQLTNV-QMHKHESXSA-N 438.484 0.415 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708697 NUJUDBXBRBPOME-JLCFBVMHSA-N 425.441 0.303 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778954568 DLSVEASOPWMFLI-OYHNWAKOSA-N 445.495 0.777 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060106 KLSGRVOBVHJUHZ-QVKFZJNVSA-N 442.476 0.334 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)c1 1780332082 NLPMOKZUZIJSHI-FQEVSTJZSA-N 427.486 0.821 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1782647095 IJXMHUJQPQRNAN-OAQYLSRUSA-N 447.536 0.554 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1782801127 PUZZUCDTHMEESH-ZEQRLZLVSA-N 441.528 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783337204 NGMXVFAXMKRASO-UEAAHPPJSA-N 427.501 0.278 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784503549 DALZTNZWPYMEOG-RUZYHRDJSA-N 440.493 0.052 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784733898 NSZUXVQGYTWXQD-SZMVWBNQSA-N 431.489 0.488 30 20 ICED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c(=O)nc1O 1785354779 WWSJVHSSSFZFQY-QFIPXVFZSA-N 437.456 0.273 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789347526 QIZFPHBMJZBNIV-BJLQDIEVSA-N 448.520 0.549 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789795631 ZJYFQBLDOVVRBO-VPAKFMSCSA-N 426.627 0.556 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]21 1789890342 OMDGZOZGWPGZEN-BZSNNMDCSA-N 437.537 0.638 30 20 ICED COc1cc(Cl)ccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077697 RQGKXKNMWCMELM-ZVZYQTTQSA-N 434.876 0.959 30 20 ICED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1792485020 CBCURJPUYNSJPC-MIFYACCESA-N 433.534 0.482 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 1792490294 TYNBSJRPFXEHQK-BBVDOIIUSA-N 429.521 0.769 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792623735 MTCURCKMDSEASI-RMFSNUHRSA-N 427.505 0.352 30 20 ICED CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794470720 ZKBYJNUXYJEKRB-JBXAFTOGSA-N 445.520 0.880 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccc1C=O 1795749949 BSIVTWDUTPRBCU-PDOICOKGSA-N 431.489 0.961 30 20 ICED CC(=O)O[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 1797595008 GNHSQRCYENSHHB-LXRZPIJOSA-N 439.509 0.693 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1C[C@H]2C[C@@H]2C1 1797638432 HMRANQRKEYGXGK-FRJCKAOGSA-N 438.528 0.867 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1797785364 PMSNKIHDBREUKH-JLVBRIDZSA-N 433.534 0.185 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1797811719 TUEQLPZWDSXEOJ-ZSTXJBAQSA-N 442.476 0.462 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1803502383 KDYBXKOWEXZXKI-ZTNFWEORSA-N 432.546 0.829 30 20 ICED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)c(C#N)c1 1807058523 FEUANNVVQQJYEI-JTSKRJEESA-N 449.515 0.693 30 20 ICED Cc1cnc2c(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnn2c1 1809844461 ZTCWOXYQEAICTG-OXJNMPFZSA-N 432.440 0.840 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810851551 ZDGFESPFYMCEJU-IRXDYDNUSA-N 437.585 0.973 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812882676 OIAAFZGVMMRMCL-FZKQIMNGSA-N 446.510 0.036 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)CC1 1818965793 XPXFIJZJNCUABT-KRWDZBQOSA-N 427.509 0.870 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)CNC(N)=O)sc4C3)c2c1 1828327604 OBSFVMRUAUFORC-SNVBAGLBSA-N 438.473 0.785 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1829773853 XMZZFJYPOODSJL-CTUFNNTOSA-N 445.520 0.067 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)cc1 1829902142 IKCYLWMEZBXGHG-DEOSSOPVSA-N 449.511 0.980 30 20 ICED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1830004554 AKRIUUYHBNOBNP-JECJHWOISA-N 449.596 0.646 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1830178747 LXUGRKFSUIEMAX-JOCHJYFZSA-N 446.525 0.574 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831267268 RMXFSZWWWCUZGF-QFIPXVFZSA-N 428.489 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)CC)CC2)CC1 1833418293 VMDZQKQOKGNMCY-JTGQJZMRSA-N 447.580 0.331 30 20 ICED Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1834283650 NMEWFJWIDUUKDX-ROZQTZPBSA-N 446.504 0.989 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705221 DEFVSLWOVVJQSY-MBSDFSHPSA-N 430.501 0.899 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834857840 WTELECWWWPYTFG-JOCHJYFZSA-N 429.473 0.776 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095897 JRYLBAPKNAGRGI-FDDCHVKYSA-N 427.501 0.409 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1835099669 QIWOAUZSKRDQFD-DEOSSOPVSA-N 445.479 0.851 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835587335 DLGURAWOJBUNAL-AMHTUMDSSA-N 428.533 0.931 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1835675553 WAZMBHKCEFUOHQ-NRFANRHFSA-N 432.525 0.081 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835825549 OCUJBNSQOJQHBU-NFBKMPQASA-N 446.548 0.911 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034312 QIVSCTYDPJEAPN-XUHCNCODSA-N 444.463 0.932 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837243265 QAZLEGQENGRHAN-JRPXNJEYSA-N 433.530 0.787 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1837392351 DIPNTNBSHVKGQH-WMZHIEFXSA-N 437.581 0.748 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493659 PTVZNTXTRSVUNE-MBSDFSHPSA-N 434.533 0.757 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837564867 BTPSODXJJSSTEJ-JBMWNJKUSA-N 441.488 0.611 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1837639455 HVRFNHQHXGMJCH-GPMSIDNRSA-N 425.555 0.325 30 20 ICED CC(C)n1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838020610 RIWYXGVWFPGVMH-QFIPXVFZSA-N 446.552 0.816 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838099746 OHWVORXWSKGILM-JOCHJYFZSA-N 440.456 0.955 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838409125 VNSDVNGHBOBPCZ-HYARGMPZSA-N 428.493 0.989 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cccc1C=O 1838736358 ZRMAYUOXJSAMHJ-OPAMFIHVSA-N 439.472 0.832 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105640 QXNBRICESDKVOG-AWRGLXIESA-N 448.608 0.847 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839174491 GDPVEUNXPVOSNK-REWPJTCUSA-N 446.500 0.686 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839223738 HBULHFHMODLTSB-JLMWRMLUSA-N 433.505 0.977 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519101 VOHZDJJOOXGKRS-LJQANCHMSA-N 440.447 0.947 30 20 ICED C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1839748710 LLYKTRSUWGPQRO-JTSKRJEESA-N 430.457 0.388 30 20 ICED Nc1nc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2s1 1840041783 ICMIWHSFXYTLGT-FQEVSTJZSA-N 444.469 0.037 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1840043756 RVVAMFMRKYUMPE-DEOSSOPVSA-N 449.463 0.907 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840404729 BPCJQZQZWKXZEE-RORQMLAVSA-N 446.552 0.681 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnc3C)CCO2)C1 1840492390 KMEOZKGOINWGFT-ZJBJCVSYSA-N 434.537 0.782 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1840835320 HZECRGIFDOJSHU-ZDALTALBSA-N 441.484 0.978 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847308583 RHQIRSCZNITLHF-SLFFLAALSA-N 427.457 0.797 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1847805953 XRXMOORLQGNZSE-WVTLLZAPSA-N 449.548 0.987 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCC3)c2=O)n1 430993511 YIPPVNIBMGRPCC-UHFFFAOYSA-N 428.514 0.694 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C 432728846 KJJPHLSMMPEBMP-UHFFFAOYSA-N 432.502 0.851 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 461238531 ZMEJLQQKTSJTEA-OAQYLSRUSA-N 447.513 0.964 30 20 ICED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnn(CC(=O)OC)c1 462292830 XUEHXUJUAQYINN-AWEZNQCLSA-N 431.478 0.970 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CO1 462447024 UKRBUZGUZPKPIP-CABCVRRESA-N 428.536 0.219 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1cnn(C)c1 473222828 PNORHNLUAGAXDU-YZGWKJHDSA-N 436.472 0.107 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)CC1 475527332 HDYIFPZNDUIMRS-UHFFFAOYSA-N 447.970 0.010 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 479012487 BBUMCOUPXKENOH-FUHWJXTLSA-N 436.534 0.175 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1cnn(CC)c1 479367886 PYASMUGSBQFZGV-UHFFFAOYSA-N 438.513 0.548 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)Cc1cccc(F)c1 481218234 LPCFUUATYYZKHV-CQSZACIVSA-N 432.477 0.839 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)cc1 488337306 SAXHPKMEPNCMNN-MJGOQNOKSA-N 438.488 0.893 30 20 ICED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489276131 GTSGDMLVRJOEAW-SUMWQHHRSA-N 445.501 0.747 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CC1 491222411 HLCWNMKSRMIMGV-UHFFFAOYSA-N 427.505 0.728 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cc3noc(C)c3C#N)CC2)c1 498520893 BVICXDCDLPBRPZ-UHFFFAOYSA-N 434.474 0.948 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccc(OC)cc2)c1=O 532799800 GGYRYYXLLPXJRJ-UHFFFAOYSA-N 449.536 0.965 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccc(C)cc2)c1=O 532799885 CZTUJUKCXKXYHK-UHFFFAOYSA-N 437.525 0.690 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 546599613 CGOWVWYBOXXGBP-UHFFFAOYSA-N 447.455 1.287 30 20 ICED C=CCn1c(Cc2noc(CCn3nnc4ccccc4c3=O)n2)nnc1N1CCOCC1 547066895 VMSVGYDUVQPBBC-UHFFFAOYSA-N 449.475 0.622 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)ccc21 548058670 UDBRKNHDADCCOM-OPAMFIHVSA-N 440.504 1.445 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 548275854 FEWPPLHMGHBPBK-UHFFFAOYSA-N 436.896 0.607 30 20 ICED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555257399 PHMQGNDJXCNQFR-ZDUSSCGKSA-N 434.460 0.317 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 558979160 LERGUDUABIFGQR-SFHVURJKSA-N 445.568 0.460 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 560429200 DYIWCLDKKSHOCF-UHFFFAOYSA-N 449.536 0.790 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)c1 569413089 YGXRVMVMNNTKBW-LLVKDONJSA-N 440.478 0.911 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 573009784 WAOOVJAKTVTTRC-LJQANCHMSA-N 440.500 0.431 30 20 ICED CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 574791719 UGBTVJCORQSWRX-HXUWFJFHSA-N 441.532 0.739 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 580637280 QLIFOXPCVDBHCD-UHFFFAOYSA-N 431.493 0.144 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCC2 582327907 CQGZDKSYXLGATO-GOSISDBHSA-N 437.504 0.639 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCCO1 583462156 WNKLILJGXSIFHX-QGZVFWFLSA-N 431.512 0.963 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)CC2)nc1 587655009 WVGDFEOIKROJPS-UHFFFAOYSA-N 433.516 0.778 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 589732621 ARFNANOYJXSHFJ-UHFFFAOYSA-N 427.486 0.407 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 604168056 ZYSIXIZMYKEPBJ-UHFFFAOYSA-N 448.483 0.713 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 610477033 IEABYYOXHRBORJ-IBGZPJMESA-N 425.551 0.865 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 728536290 SHBUHUMPBQMDCL-SFHVURJKSA-N 446.573 0.614 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732425989 WOSVJKFKFYWTKP-HEHNFIMWSA-N 437.522 0.822 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910388 PEKSLZCHGFLQNJ-MRXNPFEDSA-N 441.531 0.297 30 20 ICED C[C@H](ON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749790555 IKASWTWVJYTKRH-YOEHRIQHSA-N 438.550 0.319 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754974043 QYNYYDBDYNZPGB-UHFFFAOYSA-N 439.519 0.712 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 755533700 CVOYJLJTRDLWQO-GXTWGEPZSA-N 426.437 0.476 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 755549532 HICQSBUYGYSZBR-DZGCQCFKSA-N 445.476 0.755 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 756737699 YBNUFESLWBPJAM-UHFFFAOYSA-N 442.563 0.293 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758768191 HYVYNYFPYQVPKG-ULQDDVLXSA-N 436.557 0.987 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 758991630 ZKMANKWVZJRALN-YWZLYKJASA-N 434.899 0.892 30 20 ICED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 759420306 RCALSUXCJABZHI-HNENSFHCSA-N 449.533 0.947 30 20 ICED N#Cc1cccc([C@H]2CN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CCO2)c1 761188144 MGUSAFLQRUBJES-RTBURBONSA-N 440.481 0.911 30 20 ICED C#CCSCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 762303364 FPUHDJYZWSCWPY-UHFFFAOYSA-N 446.595 0.629 30 20 ICED CN(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)S(=O)(=O)c1cccs1 772226104 NBXNMTYOWKRLBD-UHFFFAOYSA-N 442.544 0.224 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CCCC1 785133720 UWJMIMHUCXEPGN-UHFFFAOYSA-N 433.534 0.506 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(C#N)cn3)ccc2F)CC1 800951989 ZFXGBIBJGNHXTB-UHFFFAOYSA-N 445.476 0.875 30 20 ICED CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806781174 LKRPKTGVIPJMDX-DQRAZIAOSA-N 440.548 0.972 30 20 ICED C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812395192 NTFRFXDOBCXXDP-RDJZCZTQSA-N 437.566 0.860 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)ccc1F 914657755 WXPLAZQZYWBFHJ-CQSZACIVSA-N 427.498 0.999 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCOCC1 914757108 LPUIHDWMRFOYAY-MRXNPFEDSA-N 436.534 0.505 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 921130327 JQCYJZNNMCFYGH-NSHDSACASA-N 434.312 0.963 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 921131231 IYEMEUAQZPPEPJ-UHFFFAOYSA-N 432.296 0.671 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 1116477832 NCNIYYGGWDALOM-HUUCEWRRSA-N 440.595 0.502 30 20 ICED Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cnccc3C#N)CC2)c1=S 1324803576 QKTPOOOWWHWBLB-HNNXBMFYSA-N 447.590 0.975 30 20 ICED CCOC(=O)C[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1343049858 XRUOPQAJAIHKFE-GOSISDBHSA-N 448.545 0.809 30 20 ICED N#CCC1(O)CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1473414941 WBDAHLPGXJQCTE-UHFFFAOYSA-N 428.898 0.260 30 20 ICED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c(OC)c1 1504184667 KTDGKEJODZKULO-SFHVURJKSA-N 438.485 0.953 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1510353151 PHVAYWRXAQHPNR-HOTGVXAUSA-N 438.554 0.920 30 20 ICED CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1515945207 QSVOUOXFSKGPPT-ROUUACIJSA-N 437.614 0.946 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCN(C)C1 1516590869 WGWMJJLOGHSVBH-NRFANRHFSA-N 426.525 0.474 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1541946467 WFGZCQOGUNRUAH-ZNMIVQPWSA-N 437.526 0.513 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CC1 1559897577 RPDVOSSLUYUNBJ-JFIYKMOQSA-N 438.575 0.345 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1586534490 JOBCFTUMYGCKJD-BPQIPLTHSA-N 435.594 0.890 30 20 ICED CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1609892244 QNNZLKSHBFPAEL-KRWDZBQOSA-N 428.541 0.492 30 20 ICED CO[C@@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCS(=O)(=O)C1 1632253936 VDKQNJOJRGEVEW-FQEVSTJZSA-N 429.502 0.801 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1643573717 SWEWTVHDRFPELC-SFHVURJKSA-N 442.925 0.650 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1697697339 XIGDIELHOQQBHO-VMUDFCTBSA-N 430.506 0.382 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCOCC1 1723925565 JECMNNXWXYNMHQ-HNNXBMFYSA-N 439.586 0.739 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1731014875 XWWCHRNPYNLTRW-UHFFFAOYSA-N 441.521 0.626 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746432074 KQJJKFHBCNJSJU-UWJYYQICSA-N 432.548 0.982 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCCS2(=O)=O)C1 1751277065 PMAAIRSTBPWRPM-LJQANCHMSA-N 435.554 0.566 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779064924 KHXXPGZTYUPPMU-IBGZPJMESA-N 446.422 0.620 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779110047 ZDPNMOHYNMRHJG-XWMMLSLGSA-N 439.509 0.935 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c(C#N)c1 1781176582 KNOGECMUKLICQA-PVBBERPISA-N 440.500 0.979 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1781269721 JBLBNYKVWGYKMI-KRWDZBQOSA-N 445.398 0.776 30 20 ICED CC(=O)Nc1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782989186 XLXLAAOEDFBLEE-XMSQKQJNSA-N 427.457 0.861 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1783055490 WJUDIIGTXVXPMY-BJKOFHAPSA-N 441.528 0.715 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1784532216 ZUQFZUMBBDXRLG-SRQBIAJPSA-N 426.608 0.947 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1785382584 XROMQGPYGGVNQK-ZHRRBRCNSA-N 426.473 0.293 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(=O)oc1 1786280530 LILLWZSKDOHSFC-ODUALVALSA-N 433.461 0.762 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384766 DSQLMXKLWJTRSB-OHFALNGGSA-N 427.461 0.067 30 20 ICED Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787632750 RIWHYVNRZVRZLI-LQZSZDLKSA-N 437.522 0.969 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790750477 JAIAZSLENJWKND-LWYYNNOASA-N 445.541 0.923 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1790877836 CWJKJJKTWZFQQC-PEDHHIEDSA-N 444.504 0.980 30 20 ICED CC(C)(C)n1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1Cl 1791073967 HGQJNEGJBMGBJL-QEJZJMRPSA-N 436.896 0.973 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccno1 1794742359 FSPHOEDTAZPEPC-JYYAWHABSA-N 432.477 0.794 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2)C(=O)O 1795644933 FESIWQNVHSWIRV-VLWCASSMSA-N 434.880 0.478 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796294647 DHGVFZVRXQPXLH-FZKCQIBNSA-N 433.513 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1ccccn1 1797970612 GXOYZGPGKAUCDN-YHOXAOFOSA-N 427.505 0.330 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)[C@H]1CCCS1(=O)=O 1798497079 LJLWUZQEQFRJBF-CRLFCOSHSA-N 427.523 0.731 30 20 ICED C[C@H](S)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 1800989260 IAYOHVWVLXLCFY-JAAXMTQOSA-N 441.550 0.820 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1ccc(O)cc1 1801055954 WHWMVLDAECPGBP-QSNWEANLSA-N 438.488 0.166 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)CC1 1801865636 BKAXOJHWUGWJMX-CWPLJXCYSA-N 434.452 0.623 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1801995841 USBGHBYSKABXCT-UPHUGPLXSA-N 449.467 0.560 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)O1 1803647264 XMQWNZRBGSUSDQ-WSTZPKSXSA-N 440.500 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2cncnc2)[C@H]1c1cccnc1 1804644360 MHOHDOBKSYZBFJ-OCOIBCLLSA-N 434.500 0.979 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1807145624 OQJPFPDATBQKSF-JENIJYKNSA-N 426.521 0.648 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)C 1812873555 MGAAKNSYMPDPFF-LSTHTHJFSA-N 428.489 0.726 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCS(C)(=O)=O)CC2 1814985516 JUUYOUFAQITSPA-GFCCVEGCSA-N 441.579 0.772 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815067217 VPAHEAFYRNEACE-SMDDNHRTSA-N 444.492 0.972 30 20 ICED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333723 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CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831490818 MCMMXNNXCQIBAE-PXNSSMCTSA-N 433.534 0.754 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1833076180 FODJNPKCPZHWSR-ZCSCLBOPSA-N 430.549 0.309 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(N(C)C)o3)CC2)CC1 1833463261 DPGDVRRITBERLR-MRXNPFEDSA-N 431.537 0.964 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489302 ZMVOQOZUMQSNKS-KXBFYZLASA-N 438.506 0.199 30 20 ICED Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833908566 MQRVQYRNQDCJQC-QHCPKHFHSA-N 429.517 0.794 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834587531 DYZLQOTVSHVQPB-GOSISDBHSA-N 432.569 0.118 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835626036 KZJQKDGHOOKEDP-JOCHJYFZSA-N 446.504 0.334 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H](N)c4cccnc4)CCO3)C2)c1 1835834647 PWRIZTCVADKNSB-AVRDEDQJSA-N 438.488 0.441 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnn4cccc(F)c34)CC2)CC1 1836498868 AEDPUAZYAMWYLN-UHFFFAOYSA-N 441.463 0.747 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)O1 1836611593 QMZRYZIXIICYBN-LLBVYWAGSA-N 443.500 0.961 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837403554 NNXUZNUEUIGWEW-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837481496 JQSCTWKFSOAFOE-HOIFWPIMSA-N 447.536 0.307 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837488947 VWHFNEXNWGDDSQ-HSZRJFAPSA-N 427.501 0.850 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837490377 AVTRKKUBIZQIIE-HSZRJFAPSA-N 444.532 0.416 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)O1 1837490894 FLJDIQUBWYRNJY-PWHSHALESA-N 434.533 0.709 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561448 LTLRQVMFHRFHCY-ZJHLSYPMSA-N 427.461 0.567 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629793 MNMYVTAKWUXZGS-JTSKRJEESA-N 446.504 0.050 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1837636210 NTKIFMOIANYDCF-UHFFFAOYSA-N 431.449 0.669 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837905284 DXLOBFALRDHAGX-OAQYLSRUSA-N 433.484 0.573 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908723 OUYMHWFMWISTKX-HXUWFJFHSA-N 435.502 0.063 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1839175894 KQCPMXJMRDQYGH-AVRDEDQJSA-N 448.520 0.485 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538165 WHSYHJYMCRNYLS-HTAPYJJXSA-N 426.473 0.443 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5c(F)cccc5n4)CCO3)C2)CC1 1839554544 PRSDXQCXXQUMLA-NRFANRHFSA-N 427.436 0.847 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1839723841 UPYSOSFYPHXOOJ-QFIPXVFZSA-N 445.495 0.807 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839886540 GBOHTGNKOXQOQU-IBGZPJMESA-N 431.480 0.961 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)Cc4ccccc4)CCO3)C2)CCC1 1839962124 VCEDLSLTAKDYSB-XXBNENTESA-N 427.501 0.740 30 20 ICED Cc1ccc2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840042592 CMGGSDOUGSAOSP-QHCPKHFHSA-N 437.452 0.701 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549651 DBGUDLAYODHLFS-HXUWFJFHSA-N 430.567 0.870 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840922582 WEVOCVZERJTBJL-VFNWGFHPSA-N 429.477 0.052 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846998 RRQURFDUMAYSIR-CQSZACIVSA-N 449.508 0.211 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843325543 KSTHKOPIRSUDAR-GJZGRUSLSA-N 425.526 0.649 30 20 ICED CCOC(=O)c1ccc(N2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)nc1 409559029 ROSZYWGQBPOQJP-UHFFFAOYSA-N 425.511 0.487 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 444586591 PHOGSBLCBJYQFC-GOSISDBHSA-N 435.488 0.685 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@@H](C)O1 445526887 CPPGFUHQWKLJFQ-CHWSQXEVSA-N 428.461 0.948 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 465262058 HKGLFEKULFLCAX-CQSZACIVSA-N 436.476 0.696 30 20 ICED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O 467208218 RQZPCLBGQKNRFG-UHFFFAOYSA-N 431.430 0.161 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 467229296 KURHOSKYVCNGDJ-LAJNKCICSA-N 436.428 0.407 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 468185989 JOGYKKWMHOLUFP-SFHVURJKSA-N 446.467 0.532 30 20 ICED Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1 473014358 JXXJQQUCRGKEOK-ZDUSSCGKSA-N 436.455 0.921 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 477161258 DHGWNXOMLGJHBY-AWEZNQCLSA-N 432.448 0.308 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OC 481610171 PIUNVTXLDGQOKZ-CQSZACIVSA-N 432.520 0.494 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C2CCN(C)CC2)c1=O 505655306 CLIDYJOIGQAISS-HNNXBMFYSA-N 441.557 0.327 30 20 ICED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508826346 NEBSPHNPONJVAR-UHFFFAOYSA-N 432.510 0.980 30 20 ICED COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H](C(=O)OC)C1 509380518 OSFFKNWKFQLUJB-GJZGRUSLSA-N 437.474 0.364 30 20 ICED CCc1oc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cc1C(=O)OC 509385849 JLOUJLPONSLVRJ-UHFFFAOYSA-N 445.497 0.452 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)c2ccccc2)CC1 531255672 IVGZOXFXXRZJDV-UHFFFAOYSA-N 428.514 0.890 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCC(=O)N1CCN(c3ncccn3)CC1)CC2 550518438 BDVIIKFOHUVPJY-UHFFFAOYSA-N 433.472 0.092 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 553353814 HUHPWACAUIXDBS-UHFFFAOYSA-N 429.502 0.840 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1=O 555965436 YEKNLAKXYUUJJX-GOSISDBHSA-N 430.480 0.792 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 561707949 VFBNFTJUBFSODZ-IBGZPJMESA-N 435.488 0.306 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 565446074 ZPCSEORKGXTCAZ-LZFQIVBZSA-N 426.473 0.182 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)CS(C)(=O)=O 580854745 ADXHEVVPQRHJEK-YOEHRIQHSA-N 434.518 0.451 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cc1 587957929 CMFLUKLUHHUIIM-UHFFFAOYSA-N 444.517 0.570 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(N)=O 608912595 WUZJEMKVAJLDMP-UHFFFAOYSA-N 434.905 0.086 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 609836070 IWTSGGPSRIBFHU-SFHVURJKSA-N 430.505 0.775 30 20 ICED COCCN(CCC#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 615256539 PNRPUUFXTISJLA-SFHVURJKSA-N 430.461 0.028 30 20 ICED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 616128686 MXFMYCLCPXIXFH-KSSFIOAISA-N 430.486 0.911 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)n1 675630889 RXUHLNSYBIQGJH-UHFFFAOYSA-N 442.541 0.910 30 20 ICED C=CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 679586563 RGNFFNQWDILINB-UHFFFAOYSA-N 439.534 0.627 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 726994416 NXNXOWAIBFSDCT-UHFFFAOYSA-N 428.430 0.525 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 729257128 SQYWVRVTLWWBKQ-UHFFFAOYSA-N 425.464 0.577 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 729257836 SKWGNWNRVBEYCF-UHFFFAOYSA-N 446.573 0.759 30 20 ICED COc1ccc(-c2nnc(S)n2CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861990 VVQQJRFNKABZQP-FBMGVBCBSA-N 428.474 0.885 30 20 ICED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 732483404 JEVXOOOSAHSBCC-WYOZQYPVSA-N 449.533 0.423 30 20 ICED CN1CCC(N2CC[C@@H](N(C)C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732559580 OWOXKDACKAAQOO-QGZVFWFLSA-N 433.578 0.742 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(CC(N)=O)nn2)c1 742557039 PAOZSTZQZUTABL-OQKWZONESA-N 433.494 0.609 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 743974530 YKLSXUMKAPUVMT-UHFFFAOYSA-N 433.446 0.190 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 745433918 OZDJMGYTSGKFAV-UHFFFAOYSA-N 443.481 0.893 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 749511988 QJSAWVUZUNRDAZ-STQMWFEESA-N 428.536 0.044 30 20 ICED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 755191259 HOJUMTYVSDQHPR-UHFFFAOYSA-N 432.444 0.713 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 759064158 DEFOBWZYJAWOLS-VKEPEHDUSA-N 444.517 0.835 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)CC1 760277593 OWDSHTAXMRZJRW-XMMPIXPASA-N 440.544 0.346 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)CC1 764252511 GVNZBUKBIIHXQQ-HNNXBMFYSA-N 448.545 0.690 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764829801 FKDJQZSNRIRSNM-AWEZNQCLSA-N 427.486 0.800 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCCO3)c2=O)cn1 772329989 MVHHDJFZPFEBGI-INIZCTEOSA-N 443.529 0.042 30 20 ICED COC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)C(N)=O 791783500 IILVROKQXGDZFP-JZRFMTABSA-N 425.511 0.901 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)n(C)c2)C1 793195186 IEJYEYLEJHCYKJ-CYBMUJFWSA-N 428.536 0.809 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 793203052 GMUGNNGLQCMMEJ-UHFFFAOYSA-N 447.922 0.724 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 798741216 LMVWXHKIROOAQE-CWTRNNRKSA-N 425.405 0.142 30 20 ICED Cn1cc(S(=O)(=O)NN=C2COc3cc(F)c(Br)cc32)c(=O)n(C)c1=O 814883635 UZNDKBBGIJCDJK-UHFFFAOYSA-N 447.242 0.061 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970419 FLOBAEHLHRQYDF-CXAGYDPISA-N 435.531 0.391 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1292134387 SPJHNMVFPDXFAX-PKOBYXMFSA-N 446.600 0.951 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1503710154 XVAVECQTYMMELZ-HNNXBMFYSA-N 445.549 0.671 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1519166624 WJJZTYZPIXXIBN-OAHLLOKOSA-N 426.543 0.778 30 20 ICED COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519236240 UMQAGTNYQQFYHH-MGPUTAFESA-N 433.488 0.337 30 20 ICED CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1547255695 OKMMKOXLDDFCOS-KRWDZBQOSA-N 439.524 0.707 30 20 ICED Cn1c(=O)[nH]c(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c1=O 1611842540 NCDBOLIBNVSQKW-CQSZACIVSA-N 446.508 0.241 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1622323467 JMGFUXDIMCVNSH-INIZCTEOSA-N 429.568 0.365 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 1652849446 YPJAMYQCHSBPRP-HXUWFJFHSA-N 431.537 0.025 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705747512 OEHYNGDWYZZKSM-HZPDHXFCSA-N 446.021 0.857 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1706838788 YMECCDWRHNNGMC-MGPUTAFESA-N 449.533 0.749 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1742431147 KJDOHMYQIIRETP-GOSISDBHSA-N 430.534 0.942 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1747603690 PSKDQHLZIMRMQA-MRXNPFEDSA-N 445.549 0.800 30 20 ICED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1767854354 ZRLIKZCCKNHEKH-OAHLLOKOSA-N 447.569 0.597 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3ncccc3n2)C1 1778662273 PODMXOYFOWEXMJ-AQOAWAETSA-N 425.489 0.895 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1779139025 JIDZFFWJIWTJNQ-WHEDMDOKSA-N 429.433 0.103 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420979 BYFKTZFWWLXEID-LJUNXVTISA-N 445.538 0.074 30 20 ICED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(=O)OCCO)C1 1780078916 BWGFORADINCBJH-XMSQKQJNSA-N 429.473 0.877 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1781690578 CUUQDEWEFSEJKS-DRSNIGMVSA-N 435.521 0.769 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785378889 WRLFSQNNVVTEBN-HXUWFJFHSA-N 431.518 0.784 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccc[n+]([O-])c1 1785493601 SNVCOVAFRRPUDC-UFYCRDLUSA-N 427.501 0.612 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C1)C2 1786368403 FSDQHWHPVJTTER-OVWQWFNUSA-N 443.504 0.516 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)n(C)c1=O 1786789606 UYYDNJNGIPORCE-UHFFFAOYSA-N 449.471 0.481 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(OC)c1F)C2 1792488777 SUYKCQSJVWSIOD-PXAQZEHQSA-N 432.452 0.291 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792531577 MOKMBQYDNVNSBN-XAPVIXHLSA-N 426.517 0.995 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1793320169 KBNXEIUTLMTIBV-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(C(F)(F)F)n1 1794069919 DXAVZSJDPLDAIK-KSPBDQMDSA-N 425.363 0.321 30 20 ICED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251682 UZKUWVQHNQHNIC-LVQVYYBASA-N 442.520 0.284 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1)c1ccc(O)cc1 1794593949 PFQZVGJACKMOBW-UGNRZPKXSA-N 437.500 0.921 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1797742283 OTWXUUUTZFLKJO-WRGDSQCOSA-N 425.493 0.404 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c1Cl 1798590322 MDXSFOCIVYQTQW-HRJSJKBJSA-N 433.896 0.008 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C2 1799301568 BALYDUAGODXLNN-KMOPNRPKSA-N 436.505 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c3c1CCC3)C2 1799303741 SOLBYTKFRVQFAY-CCWDJLKJSA-N 430.505 0.621 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799416100 GCWVWGCFQUQMOM-PEQOSZPBSA-N 433.509 0.688 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC 1800955247 MJGSTAOPKVJTKH-QSMSVPEVSA-N 434.533 0.905 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(F)cn2n1 1801186344 BTZFQNLHSMPKDH-FYVVFRBKSA-N 426.452 0.979 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801363065 JFHNPBZQYYLCDY-BMFAXAFESA-N 429.521 0.720 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1802479750 BFQCOTUSMUTDHY-LLFWKVGZSA-N 443.504 0.009 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347664 HJBCWFFFSPEAMY-HLIPFELVSA-N 425.489 0.879 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(F)(F)F 1810362344 XMSKOMMKWYAUMQ-JTDSTZFVSA-N 442.438 0.857 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1819713971 FKPSCOKOQFRYEM-INWMFGNUSA-N 438.550 0.779 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1820970410 GQGMDOJSCLSEMJ-OGWOLHLISA-N 436.513 0.853 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988871 ZSKLIXAHWWZOEB-LEMJRAINSA-N 426.495 0.593 30 20 ICED CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1827208623 JJCOAQQFQKAMGE-KZKLBEMASA-N 441.579 0.962 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829355660 CCQLTPZYIXDFPR-QFIPXVFZSA-N 443.504 0.683 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831195861 IAIBSJGJCHGKPV-UTKZUKDTSA-N 425.526 0.340 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831411312 OCLWLLJDLPGUSO-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1 1833076017 KXPXGEUVODLXIQ-ARJAWSKDSA-N 426.521 0.520 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(OC)OC)C3)C2)c(O)n1 1833696222 VYYRVJWCKMAUHP-QFIPXVFZSA-N 449.504 0.595 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834034015 DZOGTVJSYXXTCD-QFIPXVFZSA-N 437.456 0.497 30 20 ICED Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1834283651 NMEWFJWIDUUKDX-VJIOCRDPSA-N 446.504 0.989 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2)c1ccc(O)cc1 1834723504 UWQYHBACEMHTPL-XXBNENTESA-N 428.485 0.935 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192595 OQJCOSSXZGWZRN-HVHIPWAVSA-N 439.509 0.398 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cc2NC1=O 1835359881 MTWMYUCDIFKCFK-IVZQSRNASA-N 442.472 0.780 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1835668159 VVQKHYBZBBXOSQ-QFIPXVFZSA-N 445.520 0.904 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763313 AUCKOEWVVUHPAZ-IBGZPJMESA-N 444.523 0.420 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1835767182 GDVJDOBSPNYABC-VCOZGABYSA-N 446.552 0.984 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)CCO2 1836256731 WAMNRWUMBVVEQQ-JOCHJYFZSA-N 440.456 0.214 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118605 XHIWEJFWKBTXHT-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccc1)CCO2 1837334068 NTMOCPBUNAIKHN-SELNLUPBSA-N 429.517 0.982 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n(C)n1 1837441185 WGLBACUXEQTMOT-UKKLRFBMSA-N 432.525 0.270 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nc(C(F)(F)F)c1)CCO2 1838522935 STZXORJSXXHQOX-GOSISDBHSA-N 427.379 0.812 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950532 ZZEIRKUAFLUJIC-NRFANRHFSA-N 425.445 0.821 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1838953403 VWGXIENKXBYUGV-GCJKJVERSA-N 426.473 0.154 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1839080484 XYBQESFGLLIWOW-VHTOSUDKSA-N 442.516 0.106 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487778 WZGBKHHBVSKSHZ-QFIPXVFZSA-N 449.471 0.552 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccncn5)C4)C3)c2c1 1839488025 SEFPQETWRGZSKE-QFIPXVFZSA-N 447.455 0.608 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839532734 WOAHPILOWUSMEI-PGRDOPGGSA-N 432.521 0.472 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OCC(F)(F)F)n3)C2)C1 1839807101 MMPPWRTVSQBMSP-GOSISDBHSA-N 427.379 0.726 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1840041121 RXUGGCOGMFDIAR-GOSISDBHSA-N 425.800 0.032 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105789 MGKYVWMEZXJRIN-HTAPYJJXSA-N 437.537 0.028 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840294666 HVMXKEBGEIHTMV-JOCHJYFZSA-N 430.505 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840584749 WDXHEKAYMULIMQ-MMENNXSTSA-N 435.521 0.118 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800908 YQOFZFBDOSVMDH-KKSFZXQISA-N 435.546 0.581 30 20 ICED C=CCn1c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)nc2sccc2c1=O 12056552 WPKXCLSOTJBHCK-UHFFFAOYSA-N 449.514 0.698 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1Br 433870398 XRFKKHZSJFXGPD-SNVBAGLBSA-N 437.341 0.515 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434825090 AMLZTKMQBPIIOT-DZGCQCFKSA-N 441.506 0.002 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] 436029312 RIVQHPVZAIWYIK-ZDUSSCGKSA-N 426.389 0.916 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)N1CCOCC1 441457007 ILSHYZSIZYVRMA-SFHVURJKSA-N 442.451 0.821 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 441964443 VPKYYVLGDOSBFI-CYBMUJFWSA-N 444.538 0.145 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)c1=O 442210333 RUYXWNFPRFPAAV-UHFFFAOYSA-N 429.400 0.601 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cnn1-c1cccc(C#N)c1 443688870 AXNKOOAJQXCUBC-INIZCTEOSA-N 444.517 0.914 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)cc1 465317558 OCHCBUDGXOPQOF-MRXNPFEDSA-N 437.566 0.184 30 20 ICED N#C[C@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@]12C(=O)Nc1ccccc12 477518959 GFSVYBOUVXHBDL-FPTDNZKUSA-N 436.472 0.906 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)n1 479717978 SVXYHPSRWPWYJL-CQSZACIVSA-N 438.423 0.769 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccco3)c2=O)cn1 484696549 ZXTZKHPOMIBOJQ-UHFFFAOYSA-N 441.538 0.787 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2=O)cc1 487089903 SSCORYZZCUJOBF-HNNXBMFYSA-N 433.515 0.867 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccsc2)c1=O 488145456 MZGQMDUPBWAILJ-UHFFFAOYSA-N 437.568 0.141 30 20 ICED CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1OC 509417252 IPXPZBVVELNPSJ-UHFFFAOYSA-N 444.941 0.945 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 511080738 HRAWLDNLMVTKLC-UHFFFAOYSA-N 441.509 0.656 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 518019140 LNQKHTKBVDDUOM-ZDUSSCGKSA-N 432.520 0.184 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 518961265 UDELQLMSOHORTL-INIZCTEOSA-N 445.563 0.369 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 522389801 PZYOVMPJAHOERI-UHFFFAOYSA-N 447.520 0.304 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 540402684 AGSJDHPYXVRAAY-CQSZACIVSA-N 446.533 0.762 30 20 ICED CCN(CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)S(C)(=O)=O 543962792 JRURFKDNKBVWJM-UHFFFAOYSA-N 436.469 0.609 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(Br)c1=O 546196768 RMHJMPQPCOGWOK-UHFFFAOYSA-N 445.277 0.702 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2csc(-c3ccccc3)n2)CC1 550872127 XGBNZLZUCPQCDQ-UHFFFAOYSA-N 427.530 0.873 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1-n1cnnn1 551542486 BOUMEADZUCWUPX-UHFFFAOYSA-N 433.432 0.225 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 559601121 WPWRJUFELNWBFZ-IBGZPJMESA-N 428.537 0.465 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 561414540 GRFQJNMYGLDJPM-PZJWPPBQSA-N 447.624 0.982 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)n1 567299001 INZLYHCWVLVUHI-UHFFFAOYSA-N 438.440 0.324 30 20 ICED COCC[C@@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(N)=O 574345129 VGYZFOLAMKHKQI-OAHLLOKOSA-N 426.477 0.987 30 20 ICED COCCNS(=O)(=O)c1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1OC 577330930 KCYILZSEDQIGHG-UHFFFAOYSA-N 426.476 0.687 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cc1 584024004 NTWKSLKHPRRRGR-HXUWFJFHSA-N 442.541 0.896 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 588019928 UKQOXPAHGBHMOM-DOTOQJQBSA-N 446.533 0.388 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(N)=O 589156893 CTGALWOLEHEUQZ-AWEZNQCLSA-N 443.525 0.539 30 20 ICED Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609986101 UIIQYFWFGZPHSB-SFHVURJKSA-N 432.484 0.963 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)cc1 610259888 ZVDPOENZVJPZCX-UHFFFAOYSA-N 437.459 0.557 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@@H]2CCCO2)o1 727502385 ACAZDCYZLKHCIY-LBPRGKRZSA-N 449.445 0.532 30 20 ICED C[C@@H]1Oc2ccc(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2NC1=O 728089601 VLGALRNKDJSYBP-NSHDSACASA-N 443.437 0.871 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)CC1 732119191 QXUSQMWPBXMLAV-UHFFFAOYSA-N 427.548 0.933 30 20 ICED Cc1ccc(OCC(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 746189278 NSCGQNSWOIXKEN-QURGRASLSA-N 426.473 0.961 30 20 ICED CN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)(C)C#N 749627855 BBSOLMOABUISHW-UHFFFAOYSA-N 439.490 0.820 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2cccc2)CC1 750939333 ACQIZEPFXWVZBD-UHFFFAOYSA-N 430.486 0.826 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)n3nnnc3C(C)(C)C)CC2)o1 754982868 NRUYTRITUCZHSA-GFCCVEGCSA-N 430.469 0.592 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(F)c2F)c1=O 758061022 RCEYMDNXDSUAIZ-UHFFFAOYSA-N 431.464 0.867 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1OC 763042763 OADSXEKZZRSUGS-BLLLJJGKSA-N 446.485 0.851 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 771565706 ILZYAKPIAWMEAC-HXUWFJFHSA-N 442.453 0.839 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)ccc1F 773649759 HXMWTUCNBRIJBV-GDBMZVCRSA-N 430.498 0.776 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782925312 LUSRLZDYOPFHRZ-UHFFFAOYSA-N 425.897 0.913 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)c1 783453060 NPQXMEFYBBJDQC-LJQANCHMSA-N 434.452 0.605 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H]2CC=CC[C@H]2C(=O)OCC(=O)NC2(C#N)CCC2)CCC1 784239400 AQAHYSWWWJPTMN-IYBDPMFKSA-N 442.472 0.780 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)c1 787757442 DJUGNIMLECIBBD-INIZCTEOSA-N 438.488 0.894 30 20 ICED COC(=O)COc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 788699332 BWAOBALCVOICQJ-UHFFFAOYSA-N 425.467 0.277 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806611610 XIGDTRHUZOCMSF-UHFFFAOYSA-N 441.509 0.134 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807536231 PRZMXGKFYRFTCX-INIZCTEOSA-N 425.482 0.949 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 812277514 ALEKCQHEAKUOEY-UHFFFAOYSA-N 429.473 0.346 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCOC)c2=O)cc1 838179426 XKQPGUWACQVGMJ-OAHLLOKOSA-N 429.542 0.773 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(F)F)cc1 839308081 BDONKEOPIYBQHM-UHFFFAOYSA-N 431.424 0.483 30 20 ICED COCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 843473525 HEOHSAFASJHILA-AWEZNQCLSA-N 443.547 0.167 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)cc1 918261685 RPUYNUPISOMMLE-XQEBGNCTSA-N 434.474 0.881 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCCn2nc3n(c2=O)CCCC3)ccc1F 918609572 RSKLXSMPNPQSKX-UHFFFAOYSA-N 437.497 0.805 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 918729657 GDGMCDJYYYHORQ-UHFFFAOYSA-N 436.946 0.518 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc2c(c1)OCO2 920301857 OZKQURMBGORPDV-GFCCVEGCSA-N 433.442 0.010 30 20 ICED CCN(CC)C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 920786794 YZRQIOFJOFFDEG-CJLVFECKSA-N 437.522 0.423 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C 1248696455 SYSUTDHDWKOBSR-UHFFFAOYSA-N 432.506 0.948 30 20 ICED CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)no1 1306012425 RYDHUABELIHISA-OAHLLOKOSA-N 427.513 0.781 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 1318289831 SNYFXPIUAROEHX-ZIAGYGMSSA-N 425.536 0.690 30 20 ICED CCOC(=O)C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1343049862 XRUOPQAJAIHKFE-SFHVURJKSA-N 448.545 0.809 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1360682244 YPIAXWYPHCTKPC-BGKJYJJESA-N 432.547 0.631 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1516851866 PESUJQBUGBATKY-QGZVFWFLSA-N 434.522 0.608 30 20 ICED C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541865421 OQGVPSWOAIZJCA-HZPDHXFCSA-N 445.549 0.719 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1613085384 BOKDWXLTHRUPLP-BEFAXECRSA-N 440.570 0.902 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618180431 HYHOWWVGZCMTFI-DNVCBOLYSA-N 448.570 0.992 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1671495268 PEHVXXLBXQGNRW-GJZGRUSLSA-N 444.558 0.315 30 20 ICED CN1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1(C)C 1767527581 PYZABBIRHNDICH-GOSISDBHSA-N 449.625 0.946 30 20 ICED NC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778101352 JLGKPAXRHGKMFT-ZABPZDLMSA-N 434.518 0.669 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594219 IHQOSDKBPGZGKV-CCDLRZDJSA-N 442.476 0.702 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ncccn23)C1 1778651159 NFZHKRWRYLDVPL-AQOAWAETSA-N 425.489 0.895 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779339148 FAFIJIVADUYGBN-DRSNIGMVSA-N 432.521 0.330 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779364528 XTVFDSQTMGJBEC-LUIQLVGOSA-N 449.552 0.814 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1)C(F)(F)F 1779416914 DTYZTXXFZQRYRA-ZTFGCOKTSA-N 435.443 0.269 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)ccc1F 1781294710 OFSFMOJYJDRXSM-KSFYIVLOSA-N 428.464 0.596 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298632 MAAXBAWVFYHSMV-UTKZUKDTSA-N 431.468 0.517 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1781696668 KGAYQQSVFQHQGW-MPWIWIEXSA-N 435.521 0.504 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)C2)C1 1782559880 QGRALEKBGRPZBQ-QFIPXVFZSA-N 443.504 0.748 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(I)ccnc1F)CCO2 1783050430 SWRZRSHCDXWNDE-MRXNPFEDSA-N 443.216 0.902 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 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445.428 0.565 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793346262 HPJSMYBSNDQNMZ-KBMWQNTOSA-N 426.517 0.011 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)c(O)n1 1794490439 IRNKJSOGEAKGHM-BKEDOTJMSA-N 428.489 0.245 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796641319 JKBKWQOWDRYVFC-QDMKHBRRSA-N 432.550 0.901 30 20 ICED C=CCC(=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 1797120819 LQDGDLVOBLAPJJ-OYNZLANYSA-N 437.537 0.770 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1798263251 PRGJZXWEMDNJHF-OFISNVQSSA-N 428.537 0.823 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCC)cn1)C2 1799302434 AXIWAFSKVYOUTC-CCWDJLKJSA-N 432.477 0.588 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cnn1C 1799883595 PCGWADJROBKETR-CCWDJLKJSA-N 433.472 0.994 30 20 ICED 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0.993 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnn2)CCO3)c1 1837874858 NJIBFWDWHYZQRJ-QFIPXVFZSA-N 437.456 0.741 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1-c1ccccc1)CCO2 1838304359 ILJFIZGRCGATJZ-XMMPIXPASA-N 449.463 0.907 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838375949 QZIYDMKUCMJXFE-OAQYLSRUSA-N 441.419 0.577 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1838579581 RPZUOVDPZGDQFN-NRFANRHFSA-N 440.460 0.079 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5N4)C3)C2)c1 1838740437 KPVNIRDMSBMRJR-REWPJTCUSA-N 435.484 0.993 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827610 YHMCDXHYSIHZDM-LIRRHRJNSA-N 437.453 0.794 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)cc1 1838950913 NMQGGVOQMBBGLA-QHCPKHFHSA-N 446.467 0.985 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1839227890 MOWPGVWXTGLAMF-DNVCBOLYSA-N 425.482 0.197 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)C2)C1 1839806777 XXDVQSPHRSCJJG-VXKWHMMOSA-N 435.521 0.866 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839880484 RGKJABSLHLICNI-SZNDQCEHSA-N 448.907 0.806 30 20 ICED CC(C)[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840039696 DNNCNVQTWJVIIL-FYYLOGMGSA-N 428.485 0.971 30 20 ICED COc1cc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840043866 YRNNSSHIQYFDGC-JOCHJYFZSA-N 430.457 0.470 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCc4nc[nH]c4C2)CCO3)c1 1840363644 DEPZIWNGGZJWMI-AOMKIAJQSA-N 438.488 0.485 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840485671 JBRHPJDNGTTXAB-TWKPZUECSA-N 442.520 0.228 30 20 ICED O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840486698 SQXIYVCLRATOAV-TWQRSJMTSA-N 439.472 0.658 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1F 1840772487 AHCYIBCGCZQOFC-LJQANCHMSA-N 439.465 0.213 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3Cc4ccccc4C3)CCO2)C1 1840941686 AZSBMGUPNGOMEK-HOYKHHGWSA-N 426.513 0.896 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259988 DYAUXGZGFJREMO-CIAFOILYSA-N 430.465 0.432 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846231464 UUTDFXGNYYBBMI-VBKZILBWSA-N 435.477 0.038 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCS(C)(=O)=O)C1 1846702290 VFVTUPKZDMQSPX-HNNXBMFYSA-N 441.550 0.541 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1847801132 IGCUQECPLQBDNZ-XSLAGTTESA-N 435.521 0.862 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(=O)N4CCCCC4)CC3)CC2)o1 29709862 PSDICHFZKRVKRX-UHFFFAOYSA-N 443.552 0.133 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 409538372 XZEZHWGLQQMCRB-HOTGVXAUSA-N 434.588 0.057 30 20 ICED Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c(C)c1 410124950 WGFRJQURFHQZSV-ZWKOTPCHSA-N 436.534 0.684 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 427691504 XVNJUBIVEVYPGC-BRJNRLSDSA-N 444.495 1.011 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCNS(C)(=O)=O 440380202 FXGDQBOOOQNWBA-LBPRGKRZSA-N 448.526 0.042 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(C(N)=O)cc2)c1=O 440381332 IULMXPNFKDKFHI-UHFFFAOYSA-N 436.493 0.927 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 443082579 ZUKKGHSTPNQDPN-UHFFFAOYSA-N 445.461 0.274 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443705951 HEJVPWCIXABQSZ-HNNXBMFYSA-N 430.490 0.524 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 462069374 CIPOPPBKDKMLBV-CWLKWCNXSA-N 431.456 1.376 30 20 ICED COc1cnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)nc1 462124469 VDIXPTNVHZGQMB-NSHDSACASA-N 428.434 0.949 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1-n1cnnn1 465402527 JFTJJGMOCIHYNN-ZDUSSCGKSA-N 448.447 0.008 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)cn1C 476401139 ZWOANIQSJVTTMH-UHFFFAOYSA-N 443.938 0.949 30 20 ICED N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 476829888 XNEPYITUCWKLIN-UHFFFAOYSA-N 448.545 0.798 30 20 ICED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 478739564 QOGHIGXJNFNXSI-QWHCGFSZSA-N 436.515 0.750 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 479082277 ROCVPLSUKWEQRQ-HNNXBMFYSA-N 438.506 0.500 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cn1 483457210 IJBBGEOBDXJRLP-CYBMUJFWSA-N 434.478 0.975 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 498526906 JRUJDKSYTXKTQA-UHFFFAOYSA-N 432.502 0.327 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506713156 WYPDUVSRBSLHEE-LSDHHAIUSA-N 445.505 0.220 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 512750688 SXYDRYDFHBTSDK-PXNSSMCTSA-N 447.605 0.694 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 517992472 KNEDONROWFZCPA-LJQANCHMSA-N 438.532 0.899 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1=O 523382213 RAMFZDRXMRBARO-MRXNPFEDSA-N 428.445 0.188 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 537446108 GZXHIPCGJQWCHA-UHFFFAOYSA-N 432.477 0.687 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543033468 BNJRIEFKXQXUFI-UHFFFAOYSA-N 438.897 0.780 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 553712318 OOQMUFNLKIXQNJ-QGZVFWFLSA-N 443.508 0.527 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(S(N)(=O)=O)c1 559444359 LPXDKMABIYNARV-OAHLLOKOSA-N 441.513 0.990 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 559783687 MZIKYKAHLMPGBA-UHFFFAOYSA-N 441.513 0.431 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1 559959892 XYFDBGGQNKRNLM-CQSZACIVSA-N 430.408 0.554 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC(F)(F)C2)CC1 581421230 AEZLJFZFLYKJLF-UHFFFAOYSA-N 428.461 0.359 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)cc1 589400662 PMVYNUCPMBZJNR-OAHLLOKOSA-N 434.905 0.950 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c1 589400676 SRZWXXDPRZMPOC-OAHLLOKOSA-N 434.905 0.950 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 603457582 ZAGDATSSRPKZLO-UHFFFAOYSA-N 436.515 0.587 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 614063544 HHTXHUWEOYVLBC-UHFFFAOYSA-N 440.569 0.978 30 20 ICED CCCCN1C(=S)N(CN(C)CC#N)[C@@H]2C=C(S(=O)(=O)N3CCOCC3)C=C[C@@H]21 725772046 NONGZEYBHFUBOJ-ZWKOTPCHSA-N 439.607 0.955 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1Cc1ccc(OC)cc1 732561275 JXOYFCDVECCMOY-UHFFFAOYSA-N 449.536 0.988 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734435099 YQAISKSFHXVJLL-KNQAVFIVSA-N 426.517 0.498 30 20 ICED COc1ccc2c(c1)C(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(=O)N2 734751369 RWWVAYGNAPSXNG-UHFFFAOYSA-N 430.490 0.795 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)N(C)CCC#N 744589853 URQNVCYDEWYCOH-QRQCRPRQSA-N 442.472 0.916 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)n1 745148557 HCZGZALHJVCQEF-SNVBAGLBSA-N 429.501 0.817 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 745536814 GLIBFFJCICQZOW-SNVBAGLBSA-N 429.451 0.632 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(C#N)cs2)c1=O 748645094 MPXSSDJGDDKENC-UHFFFAOYSA-N 440.506 0.902 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)CC1 748821994 WKLMIHAJZXJGJG-NRFANRHFSA-N 426.561 0.992 30 20 ICED CCc1c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cnc2c1c(=O)n(C)c(=O)n2C 754346206 LJHJDDDBSAFNNX-LBPRGKRZSA-N 441.469 0.993 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNc2cccc(S(N)(=O)=O)c2C#N)CC1 755006809 XSFUQMLLWSIEFX-UHFFFAOYSA-N 449.558 0.754 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn(CCOC)c2)c1=O 758067183 NDRSPLNUANBXNT-UHFFFAOYSA-N 447.520 0.836 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758079956 XFZAZALEPSKRRG-UHFFFAOYSA-N 441.557 0.057 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3c(F)ccc(Br)c32)c(=O)n(C)c1=O 758120628 UEFCECMLEPIZQD-UHFFFAOYSA-N 445.270 0.614 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 765893606 JLTOBZGLMVXBCI-ILWUXDPISA-N 449.533 0.469 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 767636549 KPJHWZFDQPMEQO-AWEZNQCLSA-N 426.454 0.956 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771439195 QUZQIJSAZZJBKN-ODXCJYRJSA-N 432.433 0.406 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 776145078 ZMJQBVKHRADFQY-UHFFFAOYSA-N 433.483 0.456 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776838285 YVJGMSZZTFCHAT-HOTGVXAUSA-N 437.541 0.930 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)cc2F)c1=O 782339962 IULRXUADEJOLAJ-LBPRGKRZSA-N 433.892 0.990 30 20 ICED CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O 784808522 YJFZIUFFXIAPHV-CQSZACIVSA-N 449.393 0.758 30 20 ICED COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)Nc3cnn(CC#N)c3)C2=O)c1 785158047 DIFPXZJXBOEQNJ-KRWDZBQOSA-N 426.433 0.626 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 785285751 NIGBDVORZCHDTA-NXNVCVFFSA-N 432.404 0.728 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)c1 787598442 CHWQNKJYZGMXSR-CQSZACIVSA-N 438.506 0.373 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 795324373 IYDNALJFJMJBJS-UHFFFAOYSA-N 437.499 0.830 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)c1 810462806 YPFVVSCJKPGEHQ-JHOJOOQCSA-N 444.517 0.835 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 810783123 GISFDIKSPUXASZ-UHFFFAOYSA-N 446.503 0.326 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(COC)cc(C(=O)OCC)c2)CC1 813662600 KFOKJRAEJGJWGG-UHFFFAOYSA-N 437.518 0.065 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(CCC#N)CC2)(S(C)(=O)=O)CC1 1171874679 OLQWNCVQHPVGPE-UHFFFAOYSA-N 428.555 0.859 30 20 ICED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1211840812 YPEWSXQHRKGKDJ-UHFFFAOYSA-N 444.531 0.968 30 20 ICED CN(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1298084719 NCKYRPOQDUMXHS-IBGZPJMESA-N 444.584 0.403 30 20 ICED C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1302505895 KRPVAYLNGHZMET-GDLZYMKVSA-N 448.574 0.809 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1320612628 QNHOSYNBZUSTLC-HZPDHXFCSA-N 432.502 0.063 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539803776 NJYPVRXEHAPZMR-DYVFJYSZSA-N 446.961 0.326 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613422720 FHJMKXFZUKNOOG-WBVHZDCISA-N 430.557 0.898 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617342738 XMJASRGOEHYINO-OAHLLOKOSA-N 447.569 0.635 30 20 ICED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1617609391 VLJYZVGYUIVALU-UHFFFAOYSA-N 431.522 0.423 30 20 ICED N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)n[nH]2)cc1 1670211700 POSGOQYDIHRKDL-QGZVFWFLSA-N 427.490 0.540 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCS(C)(=O)=O)CC2)c1C#N 1693406523 LBORTZUIRDMDEP-UHFFFAOYSA-N 434.570 0.860 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1696962504 JWWQWUGVHZORFM-CQSZACIVSA-N 433.419 0.149 30 20 ICED COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712329578 QDRLHSGVZJINFU-DYESRHJHSA-N 431.541 0.365 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)C1 1712875821 IGFNTWUEALXUBD-YOEHRIQHSA-N 445.542 0.447 30 20 ICED CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1726816323 AEIAYASMCUBBJX-LAUBAEHRSA-N 428.493 0.841 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1741944099 KLNJUIRPEYQYCN-JSGCOSHPSA-N 434.478 0.394 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779068300 YMMPCPCCVMMOJU-HSZRJFAPSA-N 426.517 0.971 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779103297 RSUVIDXHOFYVTN-CRESJJQNSA-N 442.476 0.702 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CCC1 1780937633 DUSTWVXQXVQYQG-NRFANRHFSA-N 443.529 0.415 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1781271165 BKQRREYSJMJMCF-QFIPXVFZSA-N 441.488 0.991 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782521758 ZPBQKCNGGBBKHB-VGOFRKELSA-N 446.504 0.879 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783606427 WCNCAIIOLLLRBZ-KGYLXKDPSA-N 443.500 0.696 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783771146 LTPGGOFZRUPBDC-VFNWGFHPSA-N 435.477 0.374 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915311 AEPOTGUUULVABV-DVMWJLJYSA-N 426.517 0.995 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1 1784109998 LUXFVARUANVPIY-QHCPKHFHSA-N 436.468 0.246 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784612301 WSKZUZSZSMSILZ-RVNBFGHRSA-N 432.477 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(O)C(F)(F)F)[C@H]2C1 1784873879 VWEGSRCRDYSLES-NUXNZHGMSA-N 434.459 0.561 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C[C@@H]21 1786364332 SSOIUCHUCUACOI-LAQRGFTBSA-N 430.530 0.990 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)C(=O)O 1786894676 XCBHEXUKRHCOIC-VJANTYMQSA-N 428.489 0.143 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C4CCN(C(C)=O)CC4)CC3)[C@H]2C1 1788225615 ITEJDLKDMFHGIO-BVSLBCMMSA-N 444.576 0.322 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCC)NC(C)=O)[C@H]2C1 1792182489 ZHZHVPGIGKDVFR-KXBKKGDSSA-N 434.537 0.129 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792535077 GNRFFLVCCUUJBY-NZGUISNBSA-N 430.480 0.744 30 20 ICED O=C(N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O)C(F)(F)C(F)F 1793728362 HQGLIWTYGDRLHD-KVSKUHBBSA-N 442.259 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796327596 PXTQXWSWTLPTNQ-SSTJLMRISA-N 427.545 0.864 30 20 ICED 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)CC#N)C3)C1 1797120789 HPTVXVBRBLWVMG-ORDFZIBCSA-N 436.509 0.108 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797640123 QJIMZUOHVMJCMD-RMZWBFLNSA-N 429.473 0.902 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1797744495 UWRNJBPJXCMJNM-COHUGYILSA-N 445.476 0.975 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1797809781 GBWVTHSEFHZKON-JMNZSAOUSA-N 447.488 0.890 30 20 ICED C=CC[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 1800490507 CYSBZUQUAQEZQB-UHDSXZAQSA-N 425.526 0.674 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804171407 VVTLZCOYTOGBBT-KXBFYZLASA-N 431.518 0.558 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190521 NYIMGNSFNRXAPO-IDHHARJASA-N 444.492 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CCN3CCN(C)CC3)C2)CC1 1809551050 KXVBLRZUAGVCTM-WAYWQWQTSA-N 445.608 0.714 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810360682 UOTDZEQFXAQUIF-KJXAQDMKSA-N 428.533 0.932 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)c(=O)nc1O 1814037469 SAABNGCPUQBYKC-WMZOPIPTSA-N 436.472 0.662 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]cnc5n4)sc3C2)c1 1815330112 IZVAXDDKXYECOP-JTQLQIEISA-N 449.456 0.613 30 20 ICED O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817615343 WDUIBNUFFDJGQF-PHJHEXBDSA-N 431.457 0.618 30 20 ICED N#CC1(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)CC1 1828919970 RSZKGBVWKFPHLO-JOCHJYFZSA-N 442.472 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1829764837 XUTHBEQNMOVFQQ-IOOHMRRSSA-N 431.489 0.527 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1831396355 KQKXKPDNGNEVKX-QFUCXCTJSA-N 440.562 0.741 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C(F)(F)F 1831464507 SBSDCENMAZCJSV-LRDDRELGSA-N 442.456 0.242 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833449018 PMHSQQSQVVBCBK-MRXNPFEDSA-N 438.594 0.299 30 20 ICED Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833543953 HFPNVGPINPMNSC-MXZSFLGVSA-N 434.493 0.922 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833991321 COVIDNSESQJAJP-UHFFFAOYSA-N 447.561 0.725 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526770 BTNMAWKUWFIAFN-SFHVURJKSA-N 434.537 0.346 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1834756193 UWGTZAHAAHHMJU-WMWRJIBUSA-N 426.473 0.229 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767728 QWNQNQHWVNKISH-DENIHFKCSA-N 446.479 0.243 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097181 UIWIDQWGGJRCQW-QHCPKHFHSA-N 436.468 0.607 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835239695 CXORPKIKGLHVBP-HSZRJFAPSA-N 445.516 0.610 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835679827 BDYWYESMCHYVPL-HSZRJFAPSA-N 449.596 0.457 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835716158 ZICXYRKEWHLBTN-OXJNMPFZSA-N 436.597 0.998 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835740393 XNHMOOPUKXLWGD-MRXNPFEDSA-N 439.626 0.633 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](CN)c4ccccc4)CCO3)C2)CCC1 1835824866 MCZCESSRLYRGFT-XXBNENTESA-N 426.517 0.879 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835904278 MMNXIYGVYXMJBH-NFBKMPQASA-N 428.533 0.945 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041869 BRHTXHISPYSYQG-JFOGYLRVSA-N 432.502 0.854 30 20 ICED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C(F)F 1836162983 SSHLVUIACMOMCH-UHFFFAOYSA-N 437.447 0.860 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1836484331 STEPXIBUWKNMEL-AVRDEDQJSA-N 443.504 0.384 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122375 HBJAWUPQAHPLLR-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1C[C@H]2C[C@H]2C1 1837287224 ORNPEDKPTKIIEU-YDGKCNFYSA-N 427.505 0.297 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837402317 ALZCHAOLJAAIFU-FDDCHVKYSA-N 445.516 0.429 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428491 MDPYHDKVNQZACR-OAQYLSRUSA-N 447.612 0.936 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837489361 DJGUMORQXOSQLV-XMMPIXPASA-N 441.528 0.779 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n[nH]1 1837583230 IIQBLZAJUZTNQQ-HSZRJFAPSA-N 437.500 0.831 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625588 ANVYFBGXTFYIEJ-HRAATJIYSA-N 432.477 0.068 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249095 KDQVESYONJOOTN-HSZRJFAPSA-N 445.491 0.989 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838257190 FQXLPFZNAAEKLP-MGPUTAFESA-N 438.912 0.773 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838337811 FIRLNSWLHXOQKP-QHCPKHFHSA-N 436.468 0.770 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742920 RKUJHKCAMFYMFX-LAUBAEHRSA-N 431.493 0.261 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839158576 JUNSEYVJPSKMMD-IIBYNOLFSA-N 433.892 0.282 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839196151 WWCJSXJABJLMLT-VGSWGCGISA-N 431.489 0.393 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839488695 FFBQGQPOVUHREM-JOCHJYFZSA-N 449.471 0.850 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1)C(F)(F)F 1839651465 FPSLMXJUDZUBMG-SFHVURJKSA-N 444.410 0.690 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1839890156 KOJHPYXFTWOCRK-WMLDXEAASA-N 436.477 0.231 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1840162143 NKSKKLGQSXNDAJ-ZMZPIMSZSA-N 439.925 1.000 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2)C(F)(F)F 1840200444 IDDJJAPFYRJASX-CZUORRHYSA-N 426.457 0.675 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840497903 CCSHMFPLUQPXEO-OAQYLSRUSA-N 425.445 0.300 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)COc3ccc(O)nn3)C4)c2c1 1845582541 PIDCGKZYLYPQHK-UHFFFAOYSA-N 433.428 0.826 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(O)nn1)C2 1847071220 LNLOFYMLSGNOSB-CQSZACIVSA-N 429.477 0.916 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 28642025 LMXTWPYXPDPUEV-FQEVSTJZSA-N 426.454 0.710 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 29445851 JCLPWNVLHMMGNY-UHFFFAOYSA-N 427.553 0.134 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(CNC(=O)Cn3cnc(C#N)n3)CC2)cc1OC 426741740 MUNKPMCFCBTACL-UHFFFAOYSA-N 448.505 0.384 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 440375459 CYMADOQXJIZLKJ-UHFFFAOYSA-N 426.498 0.927 30 20 ICED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 440976040 HDMOXLXMELSDKS-KRWDZBQOSA-N 435.488 1.403 30 20 ICED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 445199688 YTGLIFZMWFBJRA-OCCSQVGLSA-N 429.351 0.963 30 20 ICED COC[C@H](CNS(=O)(=O)c1cccc(C#N)c1)NS(=O)(=O)c1cccc(C#N)c1 445739060 DIZIHLAYANDFED-INIZCTEOSA-N 434.499 0.702 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n1 460694860 ZQDGXLNENHWHFE-OAHLLOKOSA-N 433.432 0.123 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1c1ncc[nH]1 473080059 KDVOYPICCYLUQY-KRWDZBQOSA-N 433.476 0.765 30 20 ICED CCN(C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1)S(=O)(=O)c1ccc(C#N)nc1 480983655 UABMCASSXHTKFU-UHFFFAOYSA-N 432.487 0.304 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 482450970 MHWJAVVILLHPGM-OCCSQVGLSA-N 437.503 0.420 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 500904221 OAPIGLJMOZTDKA-UHFFFAOYSA-N 433.577 0.259 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC[C@@H]1N1CCN(C)CC1 515021751 LHFHFIWLOGBTCN-AEFFLSMTSA-N 436.520 0.562 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CCC(=O)N(C)CCC#N)CC1 537852197 XIXBTWOPQDCVQO-UHFFFAOYSA-N 440.522 0.752 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 545185701 IQJXVNXIEZEALT-UHFFFAOYSA-N 433.494 0.220 30 20 ICED C=CCn1c(Cc2noc(CNS(=O)(=O)CCCC)n2)nnc1N1CCOCC1 547059675 BKMMKPQXNGHBGT-UHFFFAOYSA-N 425.515 0.494 30 20 ICED N#CCCOCCN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 549342769 TXPQPRNLAAFXQM-UHFFFAOYSA-N 428.898 0.907 30 20 ICED CCc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)nnn1Cc1ccc(F)cc1 550595522 HRPASVHVKNKVQA-UHFFFAOYSA-N 439.455 0.892 30 20 ICED COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 553147941 ALUCKRMURVKVSL-QGZVFWFLSA-N 448.483 0.532 30 20 ICED Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)c1 576307681 VNUSATZESFGGHS-FQEVSTJZSA-N 446.511 0.828 30 20 ICED CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576705493 GZMVUDQVDJDIOY-KBPBESRZSA-N 426.433 0.647 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 585701209 MUFGJTVIWJKVDH-PMACEKPBSA-N 441.532 0.248 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OC)nc1 608884572 NDIUUHMFPSVJOF-UHFFFAOYSA-N 437.437 0.460 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 609402361 WBSJJKCQFDMLBX-AWEZNQCLSA-N 439.563 0.827 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2cccnc2)c1=O 727814016 IBLPCFBZRIVEBK-UHFFFAOYSA-N 448.552 0.680 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cn1 729030947 RDCIWQWEFIPRLF-UHFFFAOYSA-N 431.445 0.892 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 729256951 ODXIMNBWNQCVHS-UHFFFAOYSA-N 438.575 0.430 30 20 ICED CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 731448565 AUPRRPUNJOCKHC-AWEZNQCLSA-N 427.548 0.931 30 20 ICED CCn1c(S)nc2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2c1=O 732910207 LIOMVDXOHMQZQS-ZDUSSCGKSA-N 434.499 0.285 30 20 ICED C#CCN1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 733161580 ZFMUBMDDNFIPTA-UHFFFAOYSA-N 441.557 0.934 30 20 ICED CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737306181 MMZDUKLFNRRNJN-FZZXRQFDSA-N 426.429 0.844 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1cccc(C)c1 743725755 ZATMTDCJJFSWAS-UHFFFAOYSA-N 449.536 0.856 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCOC1 749869587 MIDWPQPYBIGELS-GFCCVEGCSA-N 440.437 0.652 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 758084195 QUXGDYZWEBXAGV-UHFFFAOYSA-N 440.550 0.911 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)c2ccncc2C1=O 766380394 VZCKMGHOEPXTTR-LBPRGKRZSA-N 428.426 0.459 30 20 ICED CCOC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 769642724 SLZKITNUWOBTKY-UHFFFAOYSA-N 437.474 0.181 30 20 ICED C[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCN1c1nccn2cnnc12 771171056 LLLAYTGNHPSRPL-NYHFZMIOSA-N 445.487 0.931 30 20 ICED C[C@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 772984971 PVWXIFIXWQGKKH-DNTCVELPSA-N 434.518 0.885 30 20 ICED C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 774442476 MQIWQPYZNCTRGI-SRBIXLKPSA-N 442.563 0.711 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 780256845 MSSBBQPLOWAHPW-KRWDZBQOSA-N 425.470 0.667 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 787715350 VCLDSZDZLQFNPY-KRWDZBQOSA-N 448.545 0.796 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C[C@](O)(c3nccn3C)C(F)(F)F)CC2)c1C#N 788536036 IHWZGMYSAPCOCY-KRWDZBQOSA-N 425.415 0.823 30 20 ICED C#CCn1ccc(CN(CC)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 788830602 DSIJBUOQPHZSOD-UHFFFAOYSA-N 431.518 0.545 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccsc3)c2=O)cn1 790434341 OVLATYYJWCORJB-UHFFFAOYSA-N 429.527 0.443 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C#N)C1 793615916 BNFRRPJWUQOYAY-JLTOFOAXSA-N 449.508 0.573 30 20 ICED C#CCNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 799296475 FHIKFNFXJHLAHW-UHFFFAOYSA-N 441.575 0.172 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 804895210 FXVJMGVKLFHUOU-UHFFFAOYSA-N 429.521 0.707 30 20 ICED C[C@](O)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC1 812671622 CTEHPLCEOHESGK-HXUWFJFHSA-N 435.502 0.485 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)n1 812991921 QIGGSDLYWMQIOY-UHFFFAOYSA-N 435.444 0.871 30 20 ICED COCCN1C(=O)/C(=C(/Nc2ccc(CC#N)cc2)[C@@H](F)C(=O)OC)C(=O)NC1=S 814336526 WBQRPFCRJGJWEF-SXWSKBOKSA-N 434.449 0.819 30 20 ICED CCn1c(CCC(=O)[C@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21 916892884 RVUNHLHUUBCBLZ-HNNXBMFYSA-N 449.533 0.711 30 20 ICED C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918261626 WYWLIDOPUQIKHG-UIFJYSFJSA-N 432.506 0.839 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667568 YVAVSMBCPJHBNH-MRXNPFEDSA-N 433.486 0.870 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1300824983 ZOUFNDSCFLYKDO-UHFFFAOYSA-N 441.330 0.893 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301766820 JBMIOFFNCQLYIC-UWJYYQICSA-N 428.541 0.523 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1314529485 GJUSIDFFFQIHFC-SFHVURJKSA-N 430.534 0.772 30 20 ICED CC(C)(C)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1470624132 NVFZIRIRHIGFOF-QGZVFWFLSA-N 433.534 0.974 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1492606007 RXFMCZABYJXOQC-WMLDXEAASA-N 433.538 0.959 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1515989409 ARTLENAHEHCLDX-JOCHJYFZSA-N 439.520 0.226 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1618469458 WVRZRLNWKFWFBJ-OXQOHEQNSA-N 446.533 0.144 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620355405 JARCHSOLKZPHLA-STQMWFEESA-N 440.430 0.084 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1706891106 SJPCRFKTARVJCC-NQUFMGSDSA-N 438.554 0.822 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1711073368 VPWHIWVBTFEYQM-INIZCTEOSA-N 431.522 0.629 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CCN2C1=O 1711272444 PPNLRNDFCJEJSP-INIZCTEOSA-N 429.506 0.417 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1751987539 UMWFIBILHBLSBG-OAHLLOKOSA-N 446.533 0.830 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773364 YHOFCLLEQIASET-VGOFRKELSA-N 425.489 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1777845770 JFXNSVMDWJOSMM-OZYBMIPNSA-N 427.505 0.761 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778162999 YQNGUCZVQWGGRE-SBUREZEXSA-N 440.500 0.208 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)ncn1 1779016493 XSBYDLKQORIFJS-BLXMRYOQSA-N 430.465 0.090 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1CCN(C)CC1 1779066321 QIKNOLGUKHNJPF-GBXCKJPGSA-N 446.592 0.151 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1779334469 XUZXVWNFNDKZBJ-SEPYTNNBSA-N 444.532 0.881 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779645662 IXJMFDBWFGGNOZ-SPLOXXLWSA-N 447.492 0.475 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)Cc2cccnc2)C3)c1 1780179674 LCEAUQRJJCZTCR-JXHRLWIKSA-N 436.516 0.979 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c(C#N)c1 1781176093 VZBGKKMGWFGEOI-QVKFZJNVSA-N 439.476 0.187 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C3=NNC(=O)C3)C4)c2c1 1781204785 NLCKZWWHIUPARO-VGOFRKELSA-N 449.471 0.438 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1781574891 YAGCYVMFQILCFO-JXKFMYIUSA-N 425.529 0.769 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783115006 DHIPJESLCCWXHE-BTYIYWSLSA-N 432.546 0.934 30 20 ICED Cc1ncc(Br)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557408 LJAKBDLUSMSLCX-SFHVURJKSA-N 436.262 0.684 30 20 ICED C=CCO[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 1784506220 KDIUPFNSKXZRDS-AAEZLKGMSA-N 441.525 0.400 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786642664 RYOCNCCVVMQKLQ-BJLQDIEVSA-N 431.489 0.580 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4c(Cl)cccc4n3)[C@H]2C1 1787863605 FCPHCGRNTQXSPR-YDHLFZDLSA-N 430.848 0.669 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC(=O)c4cnccn4)[C@H]3C2)C1 1788700247 BAHOKMBWYVNGBD-MRHSLFKSSA-N 427.505 0.541 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344790 FUHZEHACMCGPLH-BXWFABGCSA-N 426.477 0.636 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)n[nH]c3C)[C@H]2C1 1789972608 AIBFRRULMSMXBP-OIMABFAESA-N 429.521 0.407 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286495 COKMKOUQXUSMGS-VCAMNPENSA-N 440.493 0.091 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2 1792490531 FDBFKFJLFOVAIJ-HBJPIVTPSA-N 435.427 0.732 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1793346338 LWQHVVOTQOYREG-IQJIWCNXSA-N 429.473 0.385 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)n1cccc1C=O 1797741088 ZLNCSUVIJJUEPS-NVIMLUOISA-N 429.521 0.923 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1797785124 HMXTVVLYBVSKAO-ADYITMSISA-N 440.540 0.878 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)ccn1 1797815873 XKZLLNUEMJSZAQ-NKFKEYGXSA-N 432.477 0.822 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797927092 UNJLGZDYJTYVFB-DCXXXQMHSA-N 433.549 0.579 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c1OC 1798771292 UQASHSHDLMYXCT-XOIINTDNSA-N 425.445 0.816 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882582 YRVVKKQNLWESPL-XJTZBENFSA-N 438.488 0.505 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC 1800955245 MJGSTAOPKVJTKH-MJJLTSLDSA-N 434.533 0.905 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1nc(C)cc1C 1801247385 CWHYKDBMUBYEOJ-RMFSNUHRSA-N 432.521 0.989 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801372335 DQRUNVAXWJMVOH-WERVVEIQSA-N 428.533 0.807 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1808451125 ZLTZCXWQLPYLPX-DNVCBOLYSA-N 427.461 0.473 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810386906 DBAKUUQPRNVMDD-ONYHTHEBSA-N 425.445 0.908 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)ccc1F 1814826586 OWCTVHMGYUVGFI-GFCCVEGCSA-N 429.481 0.792 30 20 ICED COC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819608141 OGBFGMUFPLHQDN-DLBZAZTESA-N 447.540 0.835 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CC1)CC2 1819855645 QGNLMOCQXLGAOY-TZMCWYRMSA-N 434.474 0.854 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972655 GVLCMISAVYSMLF-RDJZCZTQSA-N 435.525 0.959 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)CC2 1825667826 RMPKNFAUDPVORT-LLVKDONJSA-N 440.437 0.788 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)C1 1829668720 ABSDJUNQDJOEAN-AOMKIAJQSA-N 443.504 0.018 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1(O)CCC1 1829740188 KLVNTYXENOQPKH-AUSIDOKSSA-N 448.560 0.693 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)COC1 1830026233 USINUGRKIQCQLU-HSZRJFAPSA-N 427.501 0.984 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1831398701 JHFCIUGXBUZKTQ-QVKFZJNVSA-N 449.435 0.842 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831421368 ILEIRRDSBWOKMI-HTAPYJJXSA-N 432.521 0.809 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1831426512 MKBRGENHKPLTPW-MMOPVJDHSA-N 426.510 0.622 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831910595 QVUOMCOVKCFNBK-XQQSMPNESA-N 437.493 0.816 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881900 VMOOTSOSHKJNAH-JOCHJYFZSA-N 430.505 0.395 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1833073956 SSINOTBVBYXHQE-WAYWQWQTSA-N 442.520 0.226 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3[nH]nnc3C)CC2)CC1 1833076108 WFPWWNSDONUGPE-PLNGDYQASA-N 429.525 0.157 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833333361 HHNMAGFMCSRGFF-ZHRRBRCNSA-N 446.504 0.701 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)CC1 1833467788 AFPURSPRQCYGJR-MSOLQXFVSA-N 430.553 0.524 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833582741 OCGUGRNMEDWTFU-VGOFRKELSA-N 432.521 0.746 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1C(=O)O 1833606732 SKGGNUWVMSWFLX-FQEVSTJZSA-N 433.465 0.536 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1835702572 VWBAMFKZSYPTGS-SVMVAKDDSA-N 432.521 0.111 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835732722 ZPLULVQGHPDCBE-LFVJCYFKSA-N 444.584 0.712 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1836374270 OMZAFOXKVBEVRG-FQEVSTJZSA-N 446.847 0.146 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837478099 YDWRLVXDQAVTIL-OXJNMPFZSA-N 435.550 0.653 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837493517 IIPHNYBCPJBMLC-HSZRJFAPSA-N 443.500 0.556 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837532215 AMZPDPKFXBFFIZ-LNDORKPDSA-N 439.843 0.803 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837563578 QFTRWDDSPWRWHP-YVABFXQFSA-N 441.488 0.611 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCn3ccnn3)CC2)CC1 1837869251 FXFCSZZVICYGOS-UHFFFAOYSA-N 445.568 0.949 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)c1 1838319969 YNUJLBOOXANZSY-FQEVSTJZSA-N 427.417 0.334 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907801 OHKGTANPVRGAJH-AVRDEDQJSA-N 426.473 0.249 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908738 PLDSWVSHMWNZNI-HSZRJFAPSA-N 436.468 0.850 30 20 ICED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)ccc1[N+](=O)[O-] 1839137405 SUHAPHRCDHLMPI-OAQYLSRUSA-N 446.460 0.906 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1839422223 JKQHRALURPCHTR-ZHRRBRCNSA-N 444.463 0.294 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)COC1 1839485959 FMRYZEVICFBJLS-QFIPXVFZSA-N 439.472 0.541 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)[S@@](=O)c1ccccc1 1839672329 HPFWIMWMCZWMMG-FYQXTDFZSA-N 445.541 0.943 30 20 ICED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839678332 TZUGYCYDZSEZEH-VGOFRKELSA-N 431.537 0.934 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C(=O)OCC)CC3)CCO2)C1 1839761655 UYSAFPSBDZWSNZ-KKSFZXQISA-N 438.521 0.359 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1839888913 PVXAMHUHMYNMGN-GOSISDBHSA-N 436.419 0.406 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840198163 LKEKZGZWNAJKFD-GHTZIAJQSA-N 433.530 0.742 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)CC1 1842730532 HZCLZFGVOJFLNO-UHFFFAOYSA-N 429.542 0.913 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)C2 1845960761 KULUXVGZCVCJLM-QGZVFWFLSA-N 425.489 0.975 30 20 ICED Cc1nn(-c2ccccc2)c(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N 18223918 ZZGUKFRJKJEJAY-UHFFFAOYSA-N 433.428 0.543 30 20 ICED N/C(=N/CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCCCN1CCOCC1 305699094 BCLDKCOYSRZFSH-UHFFFAOYSA-N 438.472 0.986 30 20 ICED COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N[C@@H]1CCOC1 432640744 BKCMDFQZGFKFAZ-CQSZACIVSA-N 438.487 0.830 30 20 ICED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 440251851 DAVBWGROCDNCHY-DZGCQCFKSA-N 443.547 0.561 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)n1 441180047 FMSVYXKHRPGERL-UHFFFAOYSA-N 433.447 1.561 30 20 ICED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472994080 NXIKTDRZBMQPHZ-SFHVURJKSA-N 434.508 0.537 30 20 ICED Cc1nsc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)c1C#N 484953909 DAYGIZWBFYLWCH-GOSISDBHSA-N 446.577 0.685 30 20 ICED Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC(=O)N1C 488292204 YJUMGOREWLIAQD-RHSMWYFYSA-N 426.481 0.713 30 20 ICED COc1cc([C@H](C#N)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505548027 XLCPGDYMQIQDSA-KEMUOJQUSA-N 429.429 0.556 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508812640 WTZUAVGGXBXSPJ-SFHVURJKSA-N 426.525 0.979 30 20 ICED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)c1 520912421 GALLMBZTVMWSSP-UHFFFAOYSA-N 448.526 0.828 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)c1 522381359 XMQPGZGCZKDFPC-UHFFFAOYSA-N 430.490 0.670 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 549668324 VJWLZUQJYZHXFS-MRXNPFEDSA-N 439.586 0.209 30 20 ICED COc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc1S(=O)(=O)N[C@H]1CCOC1 556636091 CNRBANZMKSAUNH-AWEZNQCLSA-N 438.506 0.709 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNC(=O)CC3CCCC3)C2=O)cc1 557326361 DXUCURWWOSAHHF-IBGZPJMESA-N 439.516 0.983 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 571331352 SZGVEOHUCRAOMM-KBPBESRZSA-N 431.526 0.451 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 571807327 YJOYPLSXKHXGCC-IRXDYDNUSA-N 440.479 0.761 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)cn2)C[C@@H](C)O1 575198330 FAJNXQHGBQGOHJ-HZPDHXFCSA-N 441.463 0.764 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 575891950 ZHLLVUCBQIUYDN-DZGCQCFKSA-N 440.547 0.298 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 584491058 UNPBZADQUUWHPN-ZWKOTPCHSA-N 448.470 0.817 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 588019930 UKQOXPAHGBHMOM-RDJZCZTQSA-N 446.533 0.388 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 604270343 WJCOOPNMNHDMCA-UHFFFAOYSA-N 448.495 0.551 30 20 ICED N#Cc1cccc(OC2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 609195048 PSQNFLACVFAGPE-LJQANCHMSA-N 446.573 0.733 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 609413978 ZERCNYRMHUGESM-KRWDZBQOSA-N 434.518 0.650 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 610155906 ZXFNJCMESJSHFO-UHFFFAOYSA-N 433.490 0.649 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 611003678 NNKMDIVOYVNUMM-JKSUJKDBSA-N 449.577 0.980 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 728534399 JXUJFESQOHJWKR-KRWDZBQOSA-N 429.912 0.838 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCO1 730073125 KCQQLYGPELCVNA-HNNXBMFYSA-N 433.490 0.627 30 20 ICED Cn1cc(N2CC[C@@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 732309598 GCRLAOPAMLPCRS-OAHLLOKOSA-N 431.474 0.588 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc(OC(C)C)cc1 732909804 GALATYLMLJFQIW-KRWDZBQOSA-N 445.501 0.942 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCSC)NC(=O)Cc2ccccc2)CC1 733149546 JVXOLSPYLFNTTB-HXUWFJFHSA-N 444.601 0.751 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 734041326 WSSPGXNFJRYJKB-BLVKFPJESA-N 434.474 0.039 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)nc2)CC1 734602734 XBKBEAXRHQWNFX-UHFFFAOYSA-N 433.446 0.248 30 20 ICED Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735083893 XVWDLLNVIXMLKV-WUKNDPDISA-N 427.504 0.512 30 20 ICED C#CCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 740738110 VAADHZPEICUHRZ-UHFFFAOYSA-N 435.546 0.934 30 20 ICED C[C@H](CC(=O)N1CCN(CC[S@](C)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743497983 KUNIWZSLUCZVBG-ASHKIFAZSA-N 426.564 0.026 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1OC 746111767 NHACTJKDZORECE-QZQOTICOSA-N 442.472 0.905 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)cc1 746392796 YXHPDLYXEYAFQZ-MRXNPFEDSA-N 444.517 0.871 30 20 ICED O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)Nc1ccccc1C#Cc1ccccc1 746795155 XSWQTQOGMFJJJB-UHFFFAOYSA-N 441.509 0.803 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 747796619 VDLKOTWLSDSCFT-NRFANRHFSA-N 446.529 0.276 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C(=O)OC)C2)cc1 752117677 ALTUGAYQVJGYSA-GOSISDBHSA-N 427.454 0.545 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CN3C(=O)CSC3=O)c2)C1=O 753870822 JNQLISBMWPPBLV-UHFFFAOYSA-N 430.442 0.475 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 755518063 ATKWAHFSRAPWFN-UHFFFAOYSA-N 425.482 0.954 30 20 ICED Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 766592655 MJZRVUKIUVDYCT-OALUTQOASA-N 448.487 0.985 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Nc3cc(OCC)ncn3)CC2)c1=O 767522680 HSMGWRAPOLHLEQ-UHFFFAOYSA-N 443.508 0.266 30 20 ICED C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCN1c1nccn2cnnc12 771169458 DPVVQQWJMSTNKJ-INIZCTEOSA-N 445.487 0.928 30 20 ICED COC(=O)C1=NOC2(CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)C1 771786740 VHZNVWOINFBOPN-UHFFFAOYSA-N 430.465 0.287 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 774350256 OCXQUUZNRPLDEG-KUHUBIRLSA-N 440.522 0.646 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945476 IOTVNAAPFOCIMJ-UHFFFAOYSA-N 428.445 0.866 30 20 ICED Cc1nnc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)s1 780282341 IAUKOQYCDDJYGR-HYARGMPZSA-N 436.519 0.914 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 783015210 SVLMAVDZFQXXHW-UHFFFAOYSA-N 448.343 0.680 30 20 ICED CS(=O)(=O)N1CCC[C@@H](COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786484706 IXQNBVKJFHYSLD-NVXWUHKLSA-N 448.501 0.978 30 20 ICED Cc1nn(C)c(N2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 788281367 DWAAUFTVYKJQOD-UHFFFAOYSA-N 433.563 0.444 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n(C)n1 793075840 DAMVXGGNMLDEGZ-HAVVHWLPSA-N 432.506 0.796 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CCS(C)(=O)=O)c2=O)cn1 794628838 PEMLOXYRKWBOCH-UHFFFAOYSA-N 448.570 0.760 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C#N)n(CCc2ccc3c(c2)OCCO3)c1=O 795196571 YHLJVOSQVYRADX-UHFFFAOYSA-N 433.493 0.992 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 805714665 CCRRJESOOOJUPH-UHFFFAOYSA-N 444.469 0.447 30 20 ICED Cc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 807399089 IBCBVROYYABJER-KHILGYJSSA-N 433.494 0.742 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)n1 807912537 KHZCLLHJWRPTGA-MRXNPFEDSA-N 428.468 0.421 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812188013 BZQLMALVNZBFFL-MRXNPFEDSA-N 446.533 0.979 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC)CC1 822320859 FZCOZBJZMZBXIK-INIZCTEOSA-N 435.550 0.174 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 915625717 LOATWZKEBBAYFR-QGZVFWFLSA-N 443.529 0.762 30 20 ICED CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 916309362 ALLMBWDGXVAFQO-UHFFFAOYSA-N 427.596 0.847 30 20 ICED N#Cc1cccc(OCCOC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 919076017 BDZGHQAJUBCBSA-UHFFFAOYSA-N 429.454 0.915 30 20 ICED Cn1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(Br)c1C(F)(F)F 1453841883 QCZUSSQJFNBRFW-UHFFFAOYSA-N 435.160 0.765 30 20 ICED C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494519003 MRWWKLVNSBOIDC-KSZLIROESA-N 431.541 0.742 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1516848214 UQHSLILVOLRFPV-UHFFFAOYSA-N 445.549 0.861 30 20 ICED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1547623417 RWESQHFIJGTVRI-FZKQIMNGSA-N 437.501 0.560 30 20 ICED CC1CCC(NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1565583144 YXWXQQVNJIPESY-UHFFFAOYSA-N 430.509 0.050 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1618468343 JYTMLEJARNKKMK-WIYYLYMNSA-N 444.561 0.897 30 20 ICED COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1619317859 SSLVUOJEBANIIC-GOSISDBHSA-N 438.485 0.857 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N 1664552552 UUPQPJAJRYJKSP-LBPRGKRZSA-N 430.280 0.763 30 20 ICED CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691323122 OZBBOSYPSKJLKN-BODSMFSISA-N 433.582 0.953 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1740745623 ZQHZOJDNJVDXLL-ABAIWWIYSA-N 432.344 0.791 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)N1CCOCC1 1741905638 UQPWWBDQSAVBDZ-HUUCEWRRSA-N 427.575 0.737 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1767784221 QPMCHHROAICBKS-BTYIYWSLSA-N 428.493 0.841 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)C1 1777997891 BRXKESNOWCOTTI-DRSNIGMVSA-N 435.521 0.769 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CC1 1778262009 OZRFEHQTTIQFOL-HSZRJFAPSA-N 443.523 0.317 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)CC1 1778847808 WMRQWBGJSIBNMU-AUSIDOKSSA-N 448.612 0.030 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104922 POHAPNIXJGFHNN-GMGIQLERSA-N 445.520 0.310 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779105588 KXUHPGPONSQZMW-IOTWFPJFSA-N 445.516 0.949 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c1 1779307082 JIZKPFYAGNEVSZ-XMSQKQJNSA-N 439.472 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780009480 YTRAUTIXISMCOO-GYLQWBMOSA-N 435.484 0.932 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)ccc1F 1781298559 KXZNFVUQEDOYPW-QHCPKHFHSA-N 438.459 0.932 30 20 ICED CC(C)Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n(C)n1 1782010554 NCQXCLVMKCGKID-XMSQKQJNSA-N 430.505 0.834 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3OCC)[C@H]2C1 1783387561 AURHOTJLKHZBLH-SMDJPQOOSA-N 442.516 0.932 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785518087 YYPBKEWEHNLPJT-QRWLVFNGSA-N 438.481 0.186 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)c(C)n3)[C@H]2C1 1785621718 NIRCTZJNCWPYQI-LFPJLLAVSA-N 430.480 0.981 30 20 ICED Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)C#N)C[C@@H]43)c(C)n2n1 1787910737 GRSIHRVDRCUDOY-JYJNAYRXSA-N 425.493 0.884 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1788524484 GLZZMUBUTYCEMX-QAETUUGQSA-N 427.505 0.937 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788574706 KGLDYHQNBIAEIJ-LEUOFYLZSA-N 427.505 0.896 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788630153 OROBOVWVRUWASX-FHWLQOOXSA-N 433.549 0.579 30 20 ICED Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788659265 GOIAEAYXLQJSDK-QWHDZKDYSA-N 431.493 0.907 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1790585866 SDOJNLCFVQFBCC-OVWQWFNUSA-N 425.489 0.483 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]4C3)cnc2s1 1791261578 PZCQHDZFWJJVRC-DHMWGJHJSA-N 436.559 0.976 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)C(=O)O 1792830999 HRPXGTZPZRHGSN-BMQTXXJKSA-N 428.489 0.143 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1793351710 FXWOQIJSHNFGHH-CEQLMSFQSA-N 434.581 0.339 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1793354835 UFDLQRCCLRBUGH-DKLJTFSYSA-N 433.549 0.958 30 20 ICED 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)CCC#N)C2 1793601425 CYRMJJHMFJZXAY-OSBBLCOHSA-N 438.525 0.808 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)c(C#N)c1 1795506125 BFNYKVBDFVOVDD-CCWDJLKJSA-N 431.518 0.326 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549382 MWXCPWGCEJWVMS-KUZCPNRJSA-N 428.489 0.934 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)c1 1797809150 CDAHVWLKOOEDOH-SLEIARFRSA-N 442.516 0.167 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798539987 CLKPKEKKCATMFV-ROPHOZQPSA-N 430.501 0.689 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1798919741 GIFHWNZJJJMKSU-UFRBAHOGSA-N 441.513 0.564 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799083414 RWHBJFDPPRYIHC-XEMDLRDOSA-N 439.520 0.143 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324988 UWBQDBNSTHBRRK-NZGUISNBSA-N 430.480 0.744 30 20 ICED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799886190 MUWFXKGJNLLTSI-CCWDJLKJSA-N 446.467 0.859 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1801986457 GJPRQHQCMGTXAE-BJWYYQGGSA-N 437.452 0.328 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1803564200 QVAOIPTZVVIPKF-ALKREAHSSA-N 429.477 0.230 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807708015 QTRIQCMVXGTGKC-DOADOZAASA-N 430.505 0.320 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1814199504 YUSZTBLPPGUPEZ-BPXKWBHBSA-N 448.479 0.994 30 20 ICED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819891514 UEDRZIKKPWUQTR-XHDPSFHLSA-N 430.477 0.917 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712558 OTJAHOKPYQGZTM-HZPDHXFCSA-N 445.589 0.873 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)N1 1828995749 PVCIXPZCDRUORV-WKVCWDCFSA-N 443.504 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C(C)C)n3)C2)C1 1829764739 UGJNNBXAZJLHPF-QJKPHDSHSA-N 446.504 0.726 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829824681 PGWJANIHHIDYNX-JMQQFMRHSA-N 431.445 0.482 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898385 BEMHDWJQAGKBPL-FDDCHVKYSA-N 425.485 0.595 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830062787 CMRQFSSCSFUWMP-HSZRJFAPSA-N 442.516 0.731 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830470465 WXBIYDFYPMQNIB-NRFANRHFSA-N 443.891 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1831394202 YTNGUDRHUKIQSK-JBYIUTFZSA-N 431.489 0.356 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1)C(C)(C)C 1831481951 BZVWDNKGYKOLIO-CSODHUTKSA-N 443.610 0.948 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028043 IUUPOEVEKQWTIP-SZNDQCEHSA-N 432.477 0.025 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC[S@](=O)CC)CC2)CC1 1833468395 RGMKEUOQJJSGFA-CQGGRAHPSA-N 425.595 0.755 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833483031 WOVCYWDPWKBFMS-IRXDYDNUSA-N 443.610 0.830 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834607721 MSMIQILOYNUUED-UHFFFAOYSA-N 437.591 0.722 30 20 ICED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCC1=O 1835095722 AESQJRZNNGNBCQ-QHCPKHFHSA-N 438.484 0.103 30 20 ICED O=C(/C=C\C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)NC1CC1 1835100159 DEDXLDUZWPENEF-DFWCCGOPSA-N 437.496 0.329 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1835575447 QRZJZHCMTSIRBF-WMZHIEFXSA-N 441.532 0.123 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731946 VVJLPUDJIDJRSE-ZDSQJECRSA-N 446.596 0.720 30 20 ICED CN1CC(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)C1 1835768882 NGXGWULDABXFRN-VSIOZEBNSA-N 435.569 0.649 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988491 XYSWDBJGNYHQSM-QFIPXVFZSA-N 448.520 0.319 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnoc2)CCO3)c1 1836534947 KHPFDEFCGLTDML-OAQYLSRUSA-N 426.429 0.939 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1836858043 BUIPHBAWQJGSFV-OAHLLOKOSA-N 444.488 0.825 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488754 QADXUYSTOUNTDK-QHCPKHFHSA-N 442.516 0.554 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1837728648 OHGLJKHOMNGQAV-NRFANRHFSA-N 440.544 0.630 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2)C(F)(F)F 1838534892 IZEUNCAUVCPKBP-SFHVURJKSA-N 429.395 0.574 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579603 SUHJEJIVHCJJRE-OPAMFIHVSA-N 431.489 0.919 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cccc1C=O 1838736359 ZRMAYUOXJSAMHJ-ZHRRBRCNSA-N 439.472 0.832 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1838906853 JIFYRTYWOTZEFN-JOCHJYFZSA-N 447.455 0.380 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)C1 1839065683 PTCNJMWOMJEKGB-NZQKXSOJSA-N 426.517 0.970 30 20 ICED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131273 UYIHQEDUEVXJIH-UGKGYDQZSA-N 431.489 0.337 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)c1 1839420158 RVGBUWMIMVYKPG-OAQYLSRUSA-N 425.420 0.871 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839841077 MCDNILQFXUCETO-YCRPNKLZSA-N 434.493 0.980 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839874832 DOWNWHDGEOIAOK-HXOBKFHXSA-N 442.516 0.472 30 20 ICED Cc1snc2sc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc12 1840041671 AYVPWJSORODMTQ-IBGZPJMESA-N 449.510 0.824 30 20 ICED Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)n1 1840338932 FZZNOYQPJBSJMG-QFIPXVFZSA-N 429.473 0.175 30 20 ICED O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840384663 FPIHCVVWLWXIAO-YGPNGPECSA-N 443.504 0.832 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)c1ccccn1 1840501484 IYYIWQHZWUNBAO-JPYJTQIMSA-N 443.548 0.923 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840835404 LLMDFRSBFAZNEW-QFIPXVFZSA-N 427.457 0.373 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1841746429 KGQANRRQKYSDBK-CABCVRRESA-N 438.525 0.722 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)no1 1844301417 MQMJEAPFXAIXMM-NMONLQQWSA-N 433.465 0.445 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 57860808 SOGIXPBOZISRMA-UHFFFAOYSA-N 435.550 0.921 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 410117460 SQEAEHSXAKBIRL-KDURUIRLSA-N 439.516 0.799 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Br 433870397 XRFKKHZSJFXGPD-JTQLQIEISA-N 437.341 0.515 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1C#N 435474020 LSLUAXMQOVKGCG-UHFFFAOYSA-N 441.488 0.577 30 20 ICED Cn1c(=O)c2ccn(CC(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2n(C)c1=O 438603933 LWVGMOHPYYQBEZ-UHFFFAOYSA-N 436.472 0.812 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCOc1ccc(C#N)cc1)CC2 442247005 CLOVCKOISKWEQS-UHFFFAOYSA-N 428.470 0.551 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 442306603 OTNGJMFRJKFABK-UHFFFAOYSA-N 437.566 0.708 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCSC 443558503 UUQYSQYAKZOMRL-UHFFFAOYSA-N 448.526 0.447 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 463829134 UGJUYVIGEODURK-UHFFFAOYSA-N 426.433 0.771 30 20 ICED COc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1OCC(N)=O 471685401 ACOKDEZGVBSZPC-UHFFFAOYSA-N 442.476 0.444 30 20 ICED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472844817 BHAFHLNFVCOTAJ-UHFFFAOYSA-N 427.421 0.804 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 479817531 RDOGAWSRNQFOSK-CYBMUJFWSA-N 436.515 0.231 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 480428844 RLFJYGGEGUIGAA-NSHDSACASA-N 442.544 0.511 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C3CC3)c2=O)o1 480939032 YWPBBMMJNQWHEI-HNNXBMFYSA-N 429.498 0.782 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 483123904 WGSMJVOTGCKSEN-HIFRSBDPSA-N 447.469 0.510 30 20 ICED CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s[nH]1 488647035 PFNLTQYIGXEGFK-CQSZACIVSA-N 426.502 0.985 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 489032768 BBWDCATWRBDFMB-NVXWUHKLSA-N 425.510 0.983 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC1 491234511 GOESERCZTMXIKN-UHFFFAOYSA-N 431.884 0.306 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 505015932 ZSPDDFBFAGRFKU-HNNXBMFYSA-N 431.460 0.664 30 20 ICED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508815281 ZCTUWKXYHXCGSG-UHFFFAOYSA-N 448.487 0.707 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508957466 ZXWDKDSTKMFKQP-DLBZAZTESA-N 443.570 0.819 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCSC)C(=O)NC)cc1 511745494 REWINWNGYQGPTJ-HNNXBMFYSA-N 442.563 0.416 30 20 ICED N#C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@]12C(=O)Nc1ccccc12 513980666 XTMPOPPVZNBNMF-UZUQRXQVSA-N 431.500 0.861 30 20 ICED CCn1cc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 524357007 CKLBCCZGWFZXLT-UHFFFAOYSA-N 430.534 0.740 30 20 ICED Cn1c(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 532781358 BMDSFKPPUOFUKK-UHFFFAOYSA-N 441.872 0.259 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 550742740 MGNSEKOVPRQWKE-BEFAXECRSA-N 442.516 0.767 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@@H]2c2ncnn2Cc2ccccc2)n1 556543419 VJOXIKAEHDIURD-GOSISDBHSA-N 448.487 1.514 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 557475044 WKJDUAUMJBLERX-BBRMVZONSA-N 443.485 0.399 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)C1=O 557917998 MHMBVKADZKKGHT-GFCCVEGCSA-N 435.234 0.257 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1F 559986363 KJOULLGNKXCWPO-OAHLLOKOSA-N 436.407 0.995 30 20 ICED N#Cc1ncn(CCNC(=O)c2cc(I)ccc2-n2cnnn2)n1 561274692 GQJXTOKVDAVKHL-UHFFFAOYSA-N 435.189 0.160 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1=O 581674006 ZKRUKWOMHLDBPQ-RTWAWAEBSA-N 441.576 0.727 30 20 ICED CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 582996096 LRQSJKVOVYKTBV-WMZOPIPTSA-N 448.524 0.641 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 585689992 NJEXAERJHCFBDE-UHFFFAOYSA-N 438.492 0.707 30 20 ICED CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 603551984 WTBYPEMHYBRXLH-HXUWFJFHSA-N 449.577 0.931 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](C)C#N 609524997 UCOSHLYDVRLAPF-YJBOKZPZSA-N 436.534 0.738 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609955269 QOQWHWDBPAFUJN-DZGCQCFKSA-N 431.518 0.730 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 726042352 IEKRTJUCYALHTF-AWEZNQCLSA-N 444.444 0.370 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCC(=O)OC 730030523 PHIACTJIHUVOKP-OAQYLSRUSA-N 429.429 0.374 30 20 ICED COC[C@@H](C)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733714607 UOADJAODWRJDGA-CYBMUJFWSA-N 429.520 0.440 30 20 ICED CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 739134819 DCZYJCKJKPTCDW-IGCAKMCNSA-N 442.563 0.668 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 747278852 RPKZFPPYNLTPFJ-CQSZACIVSA-N 426.564 0.391 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c1 749158647 WDJNYWJUIMMNDA-UHFFFAOYSA-N 426.454 0.890 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CC1 749993420 GZGYJSNPSPJWQX-LJQANCHMSA-N 433.306 0.994 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nn1 750389046 AFJOOZBUAYHBAZ-UHFFFAOYSA-N 430.368 0.375 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755619918 BNNHAIMPMCFZOT-UHFFFAOYSA-N 441.557 0.316 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(COC)cc2)c1=O 758077921 UXCNGGRYLIVMCC-HNNXBMFYSA-N 425.510 0.344 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 769636233 YAMXBLBFTLEBPV-UHFFFAOYSA-N 449.466 0.224 30 20 ICED CS(=O)(=O)N1CCC[C@H](COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786484708 IXQNBVKJFHYSLD-RDJZCZTQSA-N 448.501 0.978 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 787560618 VGFSJFDHXMBSGY-JKSUJKDBSA-N 435.502 0.715 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCS(C)(=O)=O 790429484 QLYMAMMCILITMV-ZDUSSCGKSA-N 449.554 0.476 30 20 ICED CC1(C)OCC(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CO1 806655411 CMXVWZKGZDYPCP-UHFFFAOYSA-N 429.433 0.723 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 808215884 DKNNNMYPYLBYBK-FQEVSTJZSA-N 446.511 0.909 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 810472309 ISQDLABQJQVBHA-OAHLLOKOSA-N 425.832 0.715 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 814267589 DYVGFXDXZDSCHA-UHFFFAOYSA-N 431.514 0.854 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 815783740 YTUUSQZYKKTYHS-UHFFFAOYSA-N 431.470 0.822 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1F 821739409 HLHNLPQBWHRSAA-UHFFFAOYSA-N 436.377 0.954 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOC 838184715 ZOPJAFSJXKLEHG-UHFFFAOYSA-N 429.498 0.372 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2ccc(C#N)cn2)cc1 914859475 NTIIKAFCGFCSQR-UHFFFAOYSA-N 430.490 0.760 30 20 ICED CN(C)S(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 917194850 SFGAPIKXWXRPEL-UHFFFAOYSA-N 436.515 0.292 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917768258 DXRXQOJFLOVREX-UHFFFAOYSA-N 431.562 0.783 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1ccc2c(c1)CCN2C=O 919033799 BVQKTBNEPCKIQF-UHFFFAOYSA-N 427.438 0.782 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1nccs1 1303689890 WFKSYLDOTNQZRQ-FRRDWIJNSA-N 425.540 0.877 30 20 ICED CNS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1315072847 IHLOPSDRXXZIQF-MRXNPFEDSA-N 429.506 0.559 30 20 ICED CS(=O)(=O)C[C@H]1CCN(c2ccc(C#N)c(N3CC[C@H](CS(C)(=O)=O)C3)n2)C1 1324330123 HNYRLRKAPHMLCI-GJZGRUSLSA-N 426.564 0.695 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 1466174535 IIIWPFPZCRBBLT-AWEZNQCLSA-N 435.506 0.575 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1503292393 VRJAHBIBMYJKLM-VPTFNQTCSA-N 430.534 0.927 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)CCO1 1505321679 VCUIQKQNWXQSHR-MRXNPFEDSA-N 441.883 0.882 30 20 ICED CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1519486690 QBLISJVODNTXKS-KRWDZBQOSA-N 431.518 0.982 30 20 ICED CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555151071 SJSSAMCJRPEOTA-XLIONFOSSA-N 431.518 0.982 30 20 ICED C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1612996337 ZOOIOHVCLATBMY-MSOLQXFVSA-N 431.541 0.630 30 20 ICED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486061 VBPKGWPRRFPRCK-HNAYVOBHSA-N 448.545 0.447 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1705755021 KHKJOEQQHNRHGT-HNNXBMFYSA-N 432.978 0.894 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1746460933 XDBASKWAEXREEF-RTBURBONSA-N 444.584 0.516 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CCO1 1748208276 OZOXYWHSWYEINO-GOSISDBHSA-N 437.504 0.827 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055393 IFJYHYGMGAFQHF-JOCHJYFZSA-N 434.456 0.428 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccncc2)C1 1780562844 SVKQEDWDKMRLJK-LZVWQHBESA-N 426.517 0.996 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1)C(=O)O 1780802620 XKSGUAVUXAHJEM-AXHMDWHKSA-N 426.514 0.364 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781349486 NTIJXZKEGWLYEO-BTYIYWSLSA-N 438.525 0.642 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1782013774 ISJAPVWXXCFCAS-VGOFRKELSA-N 445.447 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1782020735 ZBRCLUASLHVJNO-INJSPVMNSA-N 431.533 0.926 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581576 KZMFAWLKBXNIAW-XWRADEMYSA-N 425.493 0.873 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C)nc3)C[C@@H]21 1783529052 AZIWSGWOBOEISB-GRMGMVGISA-N 426.517 0.771 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21 1784477672 IZPNTHUBRMVLCN-OEUJLIAZSA-N 445.560 0.796 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)nc1 1785363740 XLYMLNGXIRNJIG-HXUWFJFHSA-N 432.502 0.622 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1785422437 FOYRMGDSDPSCDE-HOIFWPIMSA-N 435.521 0.600 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cn[nH]c4cn3)[C@H]2C1 1788465706 KHPCYBRQEOBAIL-QOKNQOGYSA-N 439.520 0.833 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)n1ccccc1=O 1788748481 SIBZIGZCDNHAFC-VJANTYMQSA-N 443.548 0.671 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccnn1 1790640703 QSEYXNVFBNWYEG-GWIMZMMBSA-N 434.497 0.348 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1795598083 CRDNLXWFTSOAAR-JLVBRIDZSA-N 425.493 0.214 30 20 ICED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1796467752 ALGJMNYOLFDXEB-XEMDLRDOSA-N 428.489 0.299 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)c1C(F)(F)F 1796601768 IYJSTXFJFKGIRU-FQUUOJAGSA-N 428.411 0.680 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797707157 YGKLJLKGBAKAHL-HIRMHNASSA-N 432.521 0.297 30 20 ICED COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781378 KEUIABFEMIAXDL-XEMDLRDOSA-N 427.501 0.992 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1797812381 SFPJKXSYDXFFQM-OZHCATNZSA-N 447.492 0.398 30 20 ICED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1Cl 1797814921 DJHCFDMONHGEAB-DNNVRAESSA-N 439.900 0.806 30 20 ICED N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)c1cccnc1 1797836996 HKBJXLPUVQVOCG-IOYQLSIDSA-N 425.489 0.773 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)ccc1F 1799323067 QVNSJUMOPBVCLA-YVWYUNDQSA-N 425.420 0.639 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)C2 1800109998 FJRZHTQAOCKAHR-MUJYYYPQSA-N 432.477 0.405 30 20 ICED C#CC(=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 1800739974 OKQDIWBWTPNNNM-CQQDWVGSSA-N 433.505 0.091 30 20 ICED 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]1CCOC1 1801515756 OTYUZLKEALHYJZ-AVEIZBFRSA-N 435.521 0.529 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(OC)c1F 1801922899 FXLSMIUVKYUHBV-GNGABJRFSA-N 431.464 0.896 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1803544703 LORCNMKYQKAZRQ-OGWHTMIXSA-N 435.546 0.806 30 20 ICED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1804184184 VQOQKHRBFYNRQH-BQJWPVKWSA-N 432.546 0.218 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)nc1 1807683578 CHYQNPALSURTIA-UHFFFAOYSA-N 433.486 0.418 30 20 ICED CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812658284 KLNISYNNUCTQGG-UYAOXDASSA-N 428.537 0.895 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881450 XUGGDKQNXJLAOF-HZUJVAHNSA-N 449.467 0.389 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1814437280 PZTIMCNCMIJCKT-LMVHVUTASA-N 441.448 0.775 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815209619 MFEYQDSAQHJLFX-OAHLLOKOSA-N 435.481 0.928 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820309641 GGCNGQHSAYTDPD-QGZVFWFLSA-N 429.481 0.202 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)n2)CC1 1823743988 LYMSCNYPOGJKLP-JTGQJZMRSA-N 443.504 0.980 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829907648 NJCBQZZGPAXEJT-QFIPXVFZSA-N 441.484 0.510 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832360090 PFBUGZJQKYULDP-JPYJTQIMSA-N 431.533 0.647 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833235640 SVUUHDUXSHGMEV-NRFANRHFSA-N 442.451 0.139 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccn(CCOC)n3)CC2)CC1 1833465947 YPLJITOEYJLUDI-SFHVURJKSA-N 445.564 0.753 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833703200 ZYJYKELZIMGJHH-NRFANRHFSA-N 438.500 0.920 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)c1 1834447758 RNORRXDIEITVCB-JOCHJYFZSA-N 439.472 0.684 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)[C@@H]1C=CCN1 1835051284 SFHXLRYANBNJLN-NRFANRHFSA-N 428.577 0.785 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345945 LZBRPFQAQSTZIV-NRFANRHFSA-N 444.444 0.983 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835672381 AWFXPKHRCBJEMM-OAQYLSRUSA-N 432.525 0.080 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835676799 ASWNTNZTRPHBBF-QFIPXVFZSA-N 445.520 0.442 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835797641 CJLGKNFSMFNBLO-GJZGRUSLSA-N 448.593 0.485 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1ncon1 1836046293 XUYSYFGPGFMRTP-ZFJBLLOBSA-N 434.497 0.784 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417963 SAJTYLNXCSVPSC-HSZRJFAPSA-N 437.452 0.615 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)CCC1 1836973430 RUPYGANJMJFNPE-NRFANRHFSA-N 429.477 0.429 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837171402 NCLFTBHLRAYMOJ-QFIPXVFZSA-N 425.489 0.993 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837442083 OJCRHQYDBCSEGX-SGCYSOCQSA-N 446.552 0.281 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837443928 NHDZRRJTXMNPSP-SGCYSOCQSA-N 445.520 0.632 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837488780 RCDSSLXFOLQMHE-QHCPKHFHSA-N 427.501 0.850 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837532203 AJDAHQDPZXISNX-GAMXZPBPSA-N 439.509 0.277 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561310 GPXLQNKBAULFNA-LWOHLBADSA-N 445.476 0.211 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1ccccc1=O 1837690767 VRIWUCHQFHCLLJ-VGOFRKELSA-N 428.489 0.560 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837770410 JHQCNIKTIYQVIY-HNNXBMFYSA-N 431.555 0.831 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837977543 KPECZFFANMYWFE-JTSKRJEESA-N 433.505 0.733 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1 1838312469 IVVQPQSODGSRRX-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908889 ZMSHTGJTDNUHBH-FGZHOGPDSA-N 445.472 0.244 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839174639 OYHSLRXQQJFUJG-OAQYLSRUSA-N 449.460 0.072 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839227821 ZILYLYIDCBGDOB-HRAATJIYSA-N 447.492 0.277 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448009 JQUGSTUJPWNRBI-XMHVBLFMSA-N 446.504 0.640 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)C(F)(F)F 1839893067 KTNFZBYKGZNDJT-OAHLLOKOSA-N 433.343 0.506 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840293435 BPEIIQZYVLOQIM-XMSQKQJNSA-N 429.521 0.927 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)CCC1 1840813680 OEHBFPAFPLFCDS-QFIPXVFZSA-N 442.472 0.617 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844795428 KGYGFUNSELAOPA-OAHLLOKOSA-N 430.509 0.945 30 20 ICED O=C(c1nn[nH]c1C(F)(F)F)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1844806222 SFOZSWBNZRDPBX-UHFFFAOYSA-N 447.267 0.996 30 20 ICED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)CC#N)C4)c2n1 1845884417 IUCCITALALDQJF-UHFFFAOYSA-N 440.464 0.243 30 20 ICED C#CCCCCC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1846489711 CRFJRBTUNUXBLC-DLBZAZTESA-N 446.573 0.564 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCO1 409560449 FHPLMDSGQSBSTA-OAHLLOKOSA-N 432.424 0.932 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1 442353503 UAZBXJJIBFYIGE-GOEBONIOSA-N 425.507 0.742 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 444740443 WBCVXGMDBXLOKG-YJBOKZPZSA-N 443.460 0.453 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)cc(OC)c1OC 471092794 OUTWRJQOCBPWFY-ADLFWFRXSA-N 443.460 0.725 30 20 ICED CS(=O)(=O)Nc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1F 477637185 KJYJLDKTTAVNPM-UHFFFAOYSA-N 426.451 0.986 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(C)C 478766501 XWCVURRQUVEVFL-OAHLLOKOSA-N 431.562 0.997 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C 478845716 WRYRCTOMABDCEY-UHFFFAOYSA-N 427.461 0.037 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 479384745 CBHOZUXUCAAKJN-UHFFFAOYSA-N 433.490 0.473 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 479817563 RIPXNWMLXRQUNA-ZDUSSCGKSA-N 436.515 0.231 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 490345073 BNABJRLBABBCLU-GOSISDBHSA-N 444.532 0.972 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 506031872 NTZBFKGERBWMLW-IXDOHACOSA-N 448.545 0.884 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nn1CCC#N 511347980 XBUDRWCFYBMKII-HNNXBMFYSA-N 430.490 0.623 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514033460 UTVPHSVMFGGSLD-QMHKHESXSA-N 438.532 0.984 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1ccccn1 523576735 BDRKMDAHHVCBEL-UHFFFAOYSA-N 435.465 0.705 30 20 ICED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 534098942 VSTLTKIASPQBJZ-UHFFFAOYSA-N 447.517 0.420 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n(CC(N)=O)c1=O 537164502 HNMGACZNWMINTP-UHFFFAOYSA-N 448.460 0.998 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)c(F)c1 543012014 PUSGLVMPSHHCPA-QGZVFWFLSA-N 440.435 0.671 30 20 ICED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 547962543 KLVQZPFSNRWTGX-OAHLLOKOSA-N 441.509 0.291 30 20 ICED CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(=O)NCC#N)C1=O 553775197 RRDXNSJGSBMDAD-RDJZCZTQSA-N 429.477 0.609 30 20 ICED CNC(=O)COc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 553825635 QXWINXOJPOHXDY-AWEZNQCLSA-N 430.486 0.666 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCN3CCC(C)CC3)CC2)c1C#N 559809455 VRYGWCCGYBCASQ-UHFFFAOYSA-N 429.569 0.877 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 562920033 LPTPJURZTGZQNI-UHFFFAOYSA-N 436.946 0.672 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccncc3OCCN(C)C)CC2)c1C#N 573039762 AWZLPXYJHJTKFU-UHFFFAOYSA-N 426.525 0.967 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(CO)C[C@@H]3c3ccccc3)n2)cc1 584024596 PGJNNWAWXHMBMI-XXBNENTESA-N 430.468 1.419 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)nc1 587641891 XNFQKWJZXKKZDI-UHFFFAOYSA-N 440.548 0.799 30 20 ICED N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)nc1 609514130 BNLBAXHHKJLUHW-UHFFFAOYSA-N 449.467 0.889 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCn1ncc(C#N)c1N 731773805 XKABSNFONZJFSC-UHFFFAOYSA-N 435.462 0.223 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752437517 ITXGWDVRNDPWKG-GFCCVEGCSA-N 441.462 0.679 30 20 ICED COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 757291138 QOZNQMVCRJFTRQ-PXLXIMEGSA-N 438.506 0.753 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccnn2CC)c1=O 758050479 SSZZEKBIOUDEON-UHFFFAOYSA-N 449.458 0.816 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 758079059 WDGNPAYNUROZGM-UHFFFAOYSA-N 442.491 0.488 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 762544909 GKZRBBGVJWMYNX-JRCVOMKHSA-N 449.533 0.565 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOC)c2=O)n1 763302031 RLHRXINYJYMJDX-UHFFFAOYSA-N 442.541 0.912 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[C@@H]1CCCO1 773792978 FLTZMYBJUNCKMX-CVEARBPZSA-N 434.880 0.394 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776838315 YVJGMSZZTFCHAT-JKSUJKDBSA-N 437.541 0.930 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783482147 VJPBORNCOLDEAI-LJQANCHMSA-N 433.530 0.149 30 20 ICED CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 787034682 AZMBYDMOGHACCN-FJIDUMEYSA-N 431.514 0.998 30 20 ICED CN1CCN(C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2)CC1 787742148 ZJPDTWIJEMELFU-HXUWFJFHSA-N 435.532 0.586 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)[C@H]1CCS(=O)(=O)C1 789753146 ZXWPGGAAVXOILF-ZDUSSCGKSA-N 436.440 0.953 30 20 ICED CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 793794424 ZGPCCDPFZXBEJA-SFHVURJKSA-N 438.569 0.629 30 20 ICED C[C@@H](CC(=O)Nc1ccc(-n2nnnc2O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 793948151 ASLVUTCBIIJPBB-NSHDSACASA-N 427.446 0.824 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)cc1 807949001 BFGJLTWNABLAKQ-UHFFFAOYSA-N 435.458 0.577 30 20 ICED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 810782850 ZSAQKSMAFHZFIZ-QGZVFWFLSA-N 426.516 0.902 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 819881961 HDSSKCBHIGWUAN-MRXNPFEDSA-N 444.853 0.878 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCN(C)CC2)C1 820465069 BTTXVGGFJXUDOC-LJQANCHMSA-N 447.605 0.846 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 916199926 OCCSWEQNGCZEOU-UHFFFAOYSA-N 426.498 0.296 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 916620371 GGPJJTHTRCASCU-OAHLLOKOSA-N 437.474 0.181 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919049914 CMMAYHFMAXJVPR-AWEZNQCLSA-N 438.506 0.361 30 20 ICED N#Cc1cccc(OCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 919417284 XMDHNDPZKJDAEA-FUHWJXTLSA-N 436.486 0.675 30 20 ICED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921218510 XZXMGKMDEIEYRA-INIZCTEOSA-N 435.502 0.916 30 20 ICED Cc1nn(CCC(=O)N2CCOC[C@H]2C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1C#N 1116501354 AGUCBXIRXMKVSY-ZWKOTPCHSA-N 428.493 0.325 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N2CCOCC2)CC1 1288774505 ZFVPPSMQFGGKJD-GJZGRUSLSA-N 425.559 0.491 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1COCCO1 1288782766 XRPDYEJIJXIQGA-YOEHRIQHSA-N 434.522 0.812 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 1321309734 IWDLIVUDWOKPBF-UHFFFAOYSA-N 445.545 0.557 30 20 ICED COc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1OCC(=O)N(C)C 1339493488 QQDMRHNKXADQAT-MRCUWXFGSA-N 430.461 0.695 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1353656877 BAXVVEALENCMMJ-YOEHRIQHSA-N 430.486 0.906 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1510220932 NZPNZAVESWVCHV-BPUTZDHNSA-N 432.506 0.621 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1541803700 LFMOTNFGTLLCBP-CJNGLKHVSA-N 437.501 0.932 30 20 ICED CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1587056546 RDZGHIBQSMJZGR-UHFFFAOYSA-N 430.446 0.990 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C#N)C3)CC2)cc1OC 1644439879 QPWGUIPPJMGAFO-MRXNPFEDSA-N 436.534 0.772 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)cn1 1674782080 OOXQUIZPKMCEET-UHFFFAOYSA-N 447.499 0.557 30 20 ICED CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1710193759 ZHEXGXYFYVQJTD-DNVCBOLYSA-N 434.497 0.852 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1724011083 VXEYXMWFHUYOFA-CQSZACIVSA-N 441.579 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778162995 YQNGUCZVQWGGRE-GAJHUEQPSA-N 440.500 0.208 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778464908 AYBDFFIHNIBIPS-OAQYLSRUSA-N 427.461 0.682 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779019406 OVJNCGCEFHQTJA-GFTSNZQZSA-N 445.564 0.689 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779101422 LCCLVHUMLUGOPL-PEAZMPFGSA-N 442.476 0.702 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1780652421 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C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834623909 XFRUKCNVSGJQAL-WAYWQWQTSA-N 445.564 0.039 30 20 ICED O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102102 KFYQASWZFALQNW-OAQYLSRUSA-N 432.498 0.312 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835356760 KPOYFDPZMGNNSK-LEWJYISDSA-N 428.445 0.481 30 20 ICED N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1835701639 LXSLRRKZWIITTL-LVJFVWMNSA-N 441.488 0.250 30 20 ICED Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)no1 1835732186 SGZVVOMAFRQSKG-XQNSMLJCSA-N 445.568 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc4ccccc34)CCO2)C1 1835977794 NOBUOQLKWIQZSK-UZUQRXQVSA-N 441.484 0.865 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(C)C 1837221517 LZWLTKIXQBDTHP-MDKPJZGXSA-N 441.525 0.831 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837532205 AJDAHQDPZXISNX-RETMYHCQSA-N 439.509 0.277 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(Cl)nn4)CCO3)C2)c1 1837837794 KBRCGOFHJYJJRB-LJQANCHMSA-N 430.852 0.714 30 20 ICED CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133321 KMTOWXHOMQRFOF-HSZRJFAPSA-N 445.516 0.992 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363800 UXJPYGFOAPDBIV-OPAMFIHVSA-N 428.489 0.347 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CCCN1 1839421924 SRNLHDCBUREQMB-YADHBBJMSA-N 430.480 0.909 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674160 YLCUNPDPCDPXCO-UHFFFAOYSA-N 425.445 0.416 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 10774017 ZNNBGLNWHRUHGW-IBGZPJMESA-N 440.522 0.476 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1 31819945 CBKMFUZQJAQDNP-UHFFFAOYSA-N 433.519 0.138 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 432799305 XDYDJPUKCBPUMN-CYBMUJFWSA-N 430.494 0.736 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1=O 440279947 HKYVRPAFQHNHHV-IBGZPJMESA-N 441.532 0.648 30 20 ICED CN(CCCNC(=O)CN1CCN(c2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O 444773998 UJVIZHZSXYLYHI-UHFFFAOYSA-N 427.958 0.731 30 20 ICED CCN1CCN(CCc2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)C(=O)C1=O 460825507 XSOWNJZRJZQWGP-UHFFFAOYSA-N 446.489 0.162 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 470419760 SLVBVSXZYFADOE-DLBZAZTESA-N 425.507 0.051 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@]4(C[C@@H](C)C[C@@H](C)C4)C3=O)CC2)c1C#N 471690759 ZGQYKQSMHLGLNO-YEZVWNJWSA-N 441.536 0.996 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C 480157526 UHFSDPPGXCZEHH-UHFFFAOYSA-N 436.331 0.865 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1Cc1ccon1 480952095 JKOLNGGHZRJCLB-HNNXBMFYSA-N 438.509 0.909 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481428870 BEIPQFRNVDNEIG-MRXNPFEDSA-N 435.550 0.238 30 20 ICED Cc1c(C#N)c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)n(Cc2ccco2)c1C 485418591 HSMXPOKXEJWOKS-INIZCTEOSA-N 438.488 0.589 30 20 ICED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508880999 OFGDPLKSJPBTAS-KRWDZBQOSA-N 426.525 0.921 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512981131 MJNPDNQYLSNZHW-UHFFFAOYSA-N 436.451 0.899 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 518430253 QBFGFCAOSIYVDO-UXHICEINSA-N 440.500 0.429 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 530317746 ORRRSGMIRCLEQY-OAHLLOKOSA-N 447.561 0.378 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1C#N 536302384 BSQGLVHPGDXDQD-UHFFFAOYSA-N 430.534 0.916 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)nn1 544821850 AFACAKHKXOGWNS-AWEZNQCLSA-N 432.462 0.030 30 20 ICED COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nn1 545518219 PSLWQFMVRQLUJK-NVXWUHKLSA-N 443.533 0.782 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 564189415 JQOKPSWBYWMZCS-UHFFFAOYSA-N 431.474 0.297 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 571181941 BMENCMIMFYFXNY-UHFFFAOYSA-N 448.479 0.919 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cncc(C#N)c1 577327182 YGNNGVNLUHFVIU-KRWDZBQOSA-N 432.502 0.820 30 20 ICED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 726106593 QNCOAAPGQRMCTC-NVHPEQRVSA-N 436.559 0.780 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 728534293 ZTGUHFMEWPJHFO-INIZCTEOSA-N 438.575 0.103 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 728534560 NFLTXTFKKTYENB-UHFFFAOYSA-N 429.433 0.177 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831252 VZJGREVJYYVMJN-WFASDCNBSA-N 427.417 0.707 30 20 ICED C[C@H](CC(=O)NCCCn1nc2n(c1=O)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 742551198 MHYGONJWDYYSSD-CQSZACIVSA-N 446.533 0.405 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2scnc2C)c1=O 743727371 ALAAYSILHIZALV-UHFFFAOYSA-N 447.586 0.036 30 20 ICED C[C@@H](CC(=O)OCC(=O)N(C)Cc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 745497860 WMCVXJVKIZHQBJ-ZDUSSCGKSA-N 433.490 0.439 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1OC 746354389 IXKWWZPFLSQBIL-UHFFFAOYSA-N 426.433 0.347 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746536997 JGTIITLLNITUQV-UHFFFAOYSA-N 429.454 0.899 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)o1 746629408 WXSGKJISEOYYGE-UHFFFAOYSA-N 447.473 0.149 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccn(C)c2)C1=O 748096764 WQCYGCUKSVYWFU-QKDOTCOFSA-N 449.558 0.809 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)c1 750706394 ZNSKWOAFZWYQOW-HAVVHWLPSA-N 430.490 0.746 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CCOC 751555158 XJBWGAJKNHFYKE-UHFFFAOYSA-N 443.525 0.687 30 20 ICED CC(C)(C)C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751774126 LUOULLXTJYFFNI-INIZCTEOSA-N 437.518 0.731 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C#N 752381489 JIQQEQNFXIDNLB-QGZVFWFLSA-N 443.460 0.915 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CCCC3)s2)c1=O 758053603 VLNKKKJFYRZDEJ-UHFFFAOYSA-N 442.566 0.923 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 758643171 HCVKNLYYVWFNAF-SWLSCSKDSA-N 444.535 0.632 30 20 ICED Cc1cc(=O)n2nc(COC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)sc2n1 767678793 KYAICPDHPANMGH-LLVKDONJSA-N 433.471 0.741 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 768114225 KMWVAWCAHHTVGN-UHFFFAOYSA-N 445.505 0.456 30 20 ICED C[C@H]1CN(C(=O)Cc2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)C[C@@H](C)O1 771225068 SIJSDWFVZWLRST-OKILXGFUSA-N 447.517 0.919 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(=O)N(C)C 782327821 RRXBBIRAXMOEJW-UHFFFAOYSA-N 448.907 0.596 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 787776297 HEPNLFIWYFHDPK-YLJYHZDGSA-N 436.516 0.887 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)N1CCCC1 799272028 VUKLKSOPTCLFPT-WYOZQYPVSA-N 449.533 0.565 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 799284797 OFAXENVAKRGZPN-MRXNPFEDSA-N 434.468 0.316 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CC(=O)N2C 804571826 POQBRMHMUCGQMQ-OAHLLOKOSA-N 432.484 0.998 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)Cc3cccc(OCC#N)c3)CC2)ccc1=O 810569406 XRAAQHXSXKPVEW-UHFFFAOYSA-N 439.472 0.226 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 811041906 DCRYLFKMRLHKFF-HOCLYGCPSA-N 433.490 0.712 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@@H](C)N1C 815862325 XXDPCGPZTPMHAN-KCWIRBQFSA-N 435.550 0.989 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCNS(C)(=O)=O)C1=O 914556216 XYGXXFHWMMKEPH-CYBMUJFWSA-N 434.490 0.972 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 916924587 XZHUKOBYRJHLHX-MRXNPFEDSA-N 437.518 0.743 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCS(=O)(=O)CC1 917139128 RHCZPVIKOUTDIS-OAHLLOKOSA-N 427.548 0.977 30 20 ICED CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918315271 ASARMLKCASSRPR-RELWKKBWSA-N 449.533 0.519 30 20 ICED C[C@H](C#N)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 920448555 IGDDOCJYHKEZRE-PZJZIFHPSA-N 427.548 0.998 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCS(C)(=O)=O 1305122195 MJPGSKUGSDZSFU-AWEZNQCLSA-N 432.554 0.997 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1315040623 PRRITAIYTUSYRD-INIZCTEOSA-N 446.533 0.736 30 20 ICED CN1CCN(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1339549338 QDILMBMOMQPTIZ-UHFFFAOYSA-N 433.578 0.744 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCOCC1 1510222832 QLSHJWIJCXHPEC-ZBFHGGJFSA-N 426.543 0.824 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1541946229 RLRVKOHVRSEHLP-OLZOCXBDSA-N 439.473 0.230 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1555556989 MFXRIRKHFJMGSZ-UHFFFAOYSA-N 448.549 0.955 30 20 ICED COCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1619769128 VTLPHQRLGBEFGC-KBXCAEBGSA-N 428.559 0.806 30 20 ICED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1707794974 QYKNIWBDDTZQRT-WMLDXEAASA-N 448.553 0.691 30 20 ICED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1710278545 WXPLBOFNTYTXHR-KKSFZXQISA-N 444.561 0.897 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778384064 UNDRQQGWKCSBOR-BTYIYWSLSA-N 446.508 0.261 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778446458 UEIBVRKLFSODSU-QHCPKHFHSA-N 437.500 0.871 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778853706 HBLKTONAVAEMJO-FQEVSTJZSA-N 427.440 0.474 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)ncn1 1779016494 XSBYDLKQORIFJS-JGHSGIRGSA-N 430.465 0.090 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(=O)[nH]c1C 1779102447 YJKSLCVILJUMOD-VMYBJKTBSA-N 447.492 0.359 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779333554 DVGZRJZKOVFNBP-DRSNIGMVSA-N 433.505 0.786 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419585 CBIIZJXYSYVKAN-HIYRQUNLSA-N 438.525 0.541 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781790284 OQVFWARGYRHSIB-UTKZUKDTSA-N 430.461 0.261 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194755 HLCCJTAYMGYOGP-OYHNWAKOSA-N 448.487 0.806 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783123400 BSYOFTIMROOCCR-JXXFODFXSA-N 440.566 0.522 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csc(-c3cccnc3)n1)CCO2 1783561876 NUOVCCNOAGZJBW-FQEVSTJZSA-N 426.454 0.737 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)nc1 1786694032 DXGULEAOMSLDRO-QRTARXTBSA-N 432.502 0.382 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786788231 CGAHGLQUVGHOCW-ULQDDVLXSA-N 429.454 0.459 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(CCOC)n3)[C@H]2C1 1787636958 VCFRIOLGUHXHSG-CAMMJAKZSA-N 434.537 0.696 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(CO)o1 1788902412 NRWNAZXKJFUFLJ-FJFMGBJNSA-N 435.477 0.894 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1789255814 JSAWOWTYUYAOJB-SNRMKQJTSA-N 440.504 0.000 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCCCO)cc3)C[C@@H]21 1791078867 CDOKSIRJMSQLJH-WDSOQIARSA-N 430.457 0.129 30 20 ICED 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)C1)C2 1793343103 KPQURXMRUFUIOU-MTHXSQLBSA-N 449.548 0.871 30 20 ICED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1796584671 IFVUGKHNGKUVRB-HATOLVCRSA-N 437.500 0.847 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c(Cl)c1 1798636992 OIQDBKBARJIMIR-IVWMJMPLSA-N 427.848 0.812 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327436 AWIKQWGJTKFKHP-DBDYQOSUSA-N 428.464 0.520 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1800109896 UZZVVBHFOWLEAO-XYFZXANASA-N 436.534 0.936 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800824716 VIKVJUMCRHZWIP-KMWNMMNJSA-N 437.537 0.913 30 20 ICED C=CCC(=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 1801000565 ZVGVGMOVYSZPLZ-BASYENTBSA-N 439.509 0.609 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2)c1ccc(O)cc1 1801053708 NFUFWBXWHLTNJL-AYMMHLMVSA-N 437.500 0.921 30 20 ICED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992719 UEKVXJJTMONBKI-UPHUGPLXSA-N 436.468 0.748 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1802684060 TULWZHSLXWHBNF-CRAIPNDOSA-N 435.488 0.891 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1811888923 ALGVNLCTDVVCMN-QNWVGRARSA-N 449.511 0.923 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)CNC(=N)N)[C@@H]3c3cccnc3)c2c1 1812070105 XJUVPJSWPBJYNY-MGPUTAFESA-N 445.487 0.632 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812389232 XUKQYYMWRCUFPA-CRAIPNDOSA-N 434.518 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819550663 ZLINXUOENNTSDJ-SKVAFPRGSA-N 444.521 0.247 30 20 ICED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819877084 ONKVPBOKIQIORB-LIRRHRJNSA-N 438.550 0.689 30 20 ICED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(=N)N)CC3)ccc1F 1822961813 MKYPWSCDYKEODC-LBPRGKRZSA-N 429.481 0.792 30 20 ICED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1829302856 AHTJZALCIUEDDN-QFIPXVFZSA-N 441.488 0.618 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829712959 HIOSLHVWPCQTJZ-LAUBAEHRSA-N 441.594 0.065 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1829764789 VLITUBQONRAAMH-ICTHTSFCSA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C)c3)C2)C1 1829769241 OMLWMHCJODISKQ-YLNCNTMDSA-N 427.501 0.923 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1C 1830953687 JHBAQGQVAHIJTL-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1831386688 IYBLXLOCCSQDPS-JLTOFOAXSA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831395991 FICKDPAWPMOJKV-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831399173 QLRGPAKVQSRVKL-JTSKRJEESA-N 426.473 0.443 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1 1831494166 YJRSGCMIOZXFQV-PXNSSMCTSA-N 438.550 0.900 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1832462024 DFUYYHKZJVXKKO-PXNSSMCTSA-N 427.567 0.667 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833465145 NOQCEHMUHRGVTN-IAGOWNOFSA-N 441.594 0.277 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834386306 NVROFBOFEKESHX-JOCHJYFZSA-N 430.505 0.038 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ncccn3)CC2)CC1 1834714881 YLMCMDXRTPNIKK-UHFFFAOYSA-N 427.553 0.944 30 20 ICED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835739795 GQUGKTQETWKNHF-SFHVURJKSA-N 443.683 0.996 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cncn2)CCO3)c1 1836132205 OEXYOJABCMNZBS-JOCHJYFZSA-N 438.488 0.239 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262068 FWLWGWIQVQMLKC-INIZCTEOSA-N 444.225 0.587 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836851204 OUDFQKATHWQCLY-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866208 AZVXTCNJAYKEES-IERDGZPVSA-N 429.477 0.390 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc3c1CCCC3)CCO2 1836901113 AGRSKNBHMIITMD-OAQYLSRUSA-N 432.498 0.785 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cs1 1837441017 MXZSEFKOHOXCSV-YUSOBQLHSA-N 435.550 0.993 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837806180 XCKZTJLXHKMIDT-HSZRJFAPSA-N 444.532 0.795 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1838582270 IPFATECUNCLUPO-NRFANRHFSA-N 441.444 0.379 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838842906 ZDRUJUKBGAWAHC-XQQSMPNESA-N 437.880 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839173520 WKQSQPOYGMRWAR-JOCHJYFZSA-N 448.520 0.616 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1839176138 XVOYBPZHICWDFJ-OXQOHEQNSA-N 426.535 0.848 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)CCO2 1839185884 PJJGHALEXXLWNW-VGSWGCGISA-N 435.521 0.936 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839215854 OZJTYZURTWSMPB-AVRDEDQJSA-N 444.463 0.388 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1839361599 SVYQWIUGEXULLK-QFIPXVFZSA-N 439.472 0.757 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546742 HOPJJSKLVCDKSW-JTSKRJEESA-N 443.504 0.699 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)C2)C1 1839810909 XWTGZQGOOYVWCF-JTSKRJEESA-N 433.505 0.642 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCCC4=O)C2)C1 1840042557 AUOCXFCWZZOQOP-HSZRJFAPSA-N 440.452 0.364 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1840043661 NBNFVYLJLHKYCZ-QFIPXVFZSA-N 438.440 0.030 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1O 1840163969 URKSAHAKWWCXBW-RNODOKPDSA-N 437.518 0.739 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325836 VZJCWWBSKZZPLP-NRFANRHFSA-N 434.493 0.308 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840845044 CCHIVIJTWILBJG-HSZRJFAPSA-N 427.501 0.676 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 1841856372 KUFXNRLELJPBIU-UHFFFAOYSA-N 431.832 0.357 30 20 ICED CCn1cc(C#N)c(=O)n(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 10855643 NNTUMVCLCHAMPF-UHFFFAOYSA-N 434.474 0.001 30 20 ICED N#Cc1nc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]c1C#N 26269252 OWZUKFOIINDCHR-UHFFFAOYSA-N 441.473 0.405 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 64297051 YHRMGGLYBYWIJJ-UHFFFAOYSA-N 429.458 0.836 30 20 ICED CC(C)C[C@H](CN(C)C(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 409878965 QAFBQKOYBHUQGH-RRFJBIMHSA-N 426.485 0.424 30 20 ICED CC(C)Oc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1C#N 435552748 WEBJQQHIEITXFT-UHFFFAOYSA-N 429.477 0.880 30 20 ICED Cc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C#N 441316810 HXSYNUHHVRMINH-UHFFFAOYSA-N 434.499 0.788 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCSC 443680428 KAGLJRLTZPQZTR-UHFFFAOYSA-N 430.511 0.986 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 444567649 GTDPWSFEIQTKOG-UHFFFAOYSA-N 443.895 0.854 30 20 ICED CSc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O)OCCO2 461360631 DYYVSAJULGKNOZ-UHFFFAOYSA-N 431.539 0.968 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467157901 JPJKZFQZWGHYMY-ZDUSSCGKSA-N 430.477 0.684 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C)c(C#N)c3=O)CC2)cc1 467212520 YNAYXJXCGQMLEY-UHFFFAOYSA-N 442.497 0.764 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccsc1 479383948 VYVWYHVHVKYNTQ-UHFFFAOYSA-N 426.523 0.930 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487521865 WODQQYMNHFKWKQ-ZWKOTPCHSA-N 433.534 0.771 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4cccnc4)CC3)n2)cc1 490827983 VQSYTMQZFDIMOZ-UHFFFAOYSA-N 430.472 0.876 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 495271576 GJYDJENSIBKCSM-UHFFFAOYSA-N 441.517 0.740 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 508095100 MYQFXYADFWWGTA-CYBMUJFWSA-N 443.469 0.703 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 511339302 DHNXCZUQRNDKTF-JTQLQIEISA-N 443.334 0.330 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 527425416 XJVGRFPNORGFFW-IBGZPJMESA-N 437.500 0.911 30 20 ICED CN(C)c1ncncc1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 546898568 YEQNMVDGKMJHRG-UHFFFAOYSA-N 436.432 0.950 30 20 ICED N#CCNC(=O)CNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 553308854 YRFJZBXAIATQQD-HSZRJFAPSA-N 431.452 0.922 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 553840635 XUVQOXIQPFPMGL-PSLIRLAXSA-N 427.280 0.977 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2=O)cc1 556087773 FAVNFVZXGJKGNJ-JOCHJYFZSA-N 445.523 0.950 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1 564644751 SPTBXZBWGRHREO-GOSISDBHSA-N 442.439 1.083 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568129537 ZUQSVAWZPMCCII-CEXWTWQISA-N 444.488 0.107 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 571825473 QHYOGBDGOYCHFA-UHFFFAOYSA-N 436.490 0.583 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 574661706 VEMPINXPWFPJSP-NRFANRHFSA-N 439.560 0.703 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 575373346 NNOLZTPHXHNGGC-FPOVZHCZSA-N 442.541 0.836 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 576843224 TUXCACRQVQUKRH-QGZVFWFLSA-N 443.548 0.278 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 582695905 MKNIHAZMASVBRH-IBGZPJMESA-N 428.514 0.720 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@@H](C#N)C3)CC2)c1 609268683 REFMKYQTOBMYKF-SFHVURJKSA-N 448.545 0.668 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)C1=O 664852206 JRAHLIYMCFLHNU-UHFFFAOYSA-N 434.880 0.840 30 20 ICED CCCCN1C(=S)N(CN(C)CC#N)[C@H]2C=C(S(=O)(=O)N3CCOCC3)C=C[C@@H]21 725772042 NONGZEYBHFUBOJ-ROUUACIJSA-N 439.607 0.955 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 732154120 OPJYTNYDGHWQQY-ITZAQCPESA-N 426.429 0.663 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1OC 741448498 ATLWIZFAWQVGLQ-INIZCTEOSA-N 435.550 0.831 30 20 ICED C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)N(C)CCC#N 744878888 AXOFZPIVJIOHLC-LBPRGKRZSA-N 429.520 0.811 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1 749862433 RBKCERFIFYEQRV-GOEBONIOSA-N 439.493 0.913 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 755546700 MZBWMVPVVKKEOW-DGCLKSJQSA-N 429.433 0.945 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755674475 VLHMLYMPBILREY-UHFFFAOYSA-N 445.589 0.832 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758057955 INKLCQIJKOTILJ-UHFFFAOYSA-N 427.869 0.707 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758077690 YCSAGYMJPUGLHJ-UHFFFAOYSA-N 433.468 0.673 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758956233 WENZWLKXSAQILF-UHFFFAOYSA-N 437.477 0.406 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 761029023 MTMVNVLJBMSAAP-GFCCVEGCSA-N 430.433 0.420 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c2ccccc2O1 762003976 AFDPSZLJANOYLA-PMACEKPBSA-N 434.452 0.998 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCC(=O)OC 763445559 JOJURLKXKBSPKK-UHFFFAOYSA-N 430.530 0.621 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCS(=O)(=O)CC2CC2)C1=O 764875247 MAPFASRPXFMQRH-QKDOTCOFSA-N 438.575 0.885 30 20 ICED CN(CCCC(=O)NS(=O)(=O)CC1(C#N)CCC1)C1=NS(=O)(=O)c2ccccc21 771072436 WGTMVIDQKHWPQZ-UHFFFAOYSA-N 438.531 0.987 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O)c1cc[nH]n1 772360549 ZGRPGNMPBTZWFR-CQSZACIVSA-N 429.433 0.624 30 20 ICED C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340001 LLRWPUQCYGHWTJ-WBVHZDCISA-N 428.482 0.917 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782574249 NBRUXBKCDJRYKJ-UHFFFAOYSA-N 436.335 0.619 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H](CO)O1 787906071 HQSQWPFFBPHASC-TYHXDMBQSA-N 438.506 0.046 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 793196099 PWQCPSLFRUUAGI-MRXNPFEDSA-N 425.532 0.978 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(S(C)(=O)=O)CC1 793993979 MVPJICYFTTXPDR-AWEZNQCLSA-N 427.548 0.833 30 20 ICED C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 798362416 GKBROECTDMWIRQ-YGEWYJIPSA-N 436.559 0.928 30 20 ICED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 800780875 MLOXZDWQPQBNEC-UHFFFAOYSA-N 445.911 0.687 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 804053227 IRDKWTZRGRDBTF-SFTDATJTSA-N 425.533 0.572 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@H]1CCCO1 804734725 XGIBAHFWXQSKPQ-HZPDHXFCSA-N 441.575 0.734 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 807066899 QTUPXSPBIXHXOM-UHFFFAOYSA-N 435.481 0.893 30 20 ICED C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807450058 DRKMWCLUGMKQEB-SFHVURJKSA-N 435.532 0.808 30 20 ICED CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821736017 RYYGMGCIJKBVFG-QGZVFWFLSA-N 443.481 0.585 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914655377 PJLZHQXOQPIRJN-GXTWGEPZSA-N 439.877 0.729 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3sccc3S(N)(=O)=O)CC2)o1 915385065 RRNXHANXOOGJGF-UHFFFAOYSA-N 439.475 0.069 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN(C)S(C)(=O)=O)c1 916692996 KQUXIMPQVYJCNB-SILNSSARSA-N 445.567 0.902 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 917018096 GPQFPXUHYULZLP-MRXNPFEDSA-N 441.469 0.533 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)c2ccccc2C1=O 919761794 GIUWLZNTRLYLGT-UHFFFAOYSA-N 440.481 0.918 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 1116935716 LOTSBWIKAVZPPK-OAHLLOKOSA-N 443.595 0.761 30 20 ICED COc1ccccc1[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCCC1 1311572060 MMNNDLSKTKRFDF-KRWDZBQOSA-N 426.477 0.965 30 20 ICED CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC 1314390043 KNNABYISDOHMKV-UHFFFAOYSA-N 433.538 0.562 30 20 ICED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1315043680 RJRDZGWPUJWZPR-IBGZPJMESA-N 449.512 0.773 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(CC#N)CC2)s1 1319137885 OPVXXVIPRFISKZ-UHFFFAOYSA-N 427.552 0.014 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1341112334 ODEIQWQQUBMLOC-ZDUSSCGKSA-N 449.504 0.358 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C2 1464423543 UBUUVEZMYVOZHX-JKSUJKDBSA-N 444.554 0.851 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1 1585242248 LUBYRXDZJCCYOB-UHFFFAOYSA-N 442.545 0.796 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1697174475 SFDNUEHKWKRJIY-NUEKZKHPSA-N 426.543 0.774 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1708147596 RGRQWVLZODDASO-AWEZNQCLSA-N 433.476 0.637 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1710157292 ZLOLOHUTLOPJIX-IAGOWNOFSA-N 441.602 0.937 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1711836596 QRNRXJOOHFRSQD-SWLSCSKDSA-N 438.485 0.813 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCO[C@@H]1C 1723925116 KBDNEHDPLBFHSZ-IYOUNJFTSA-N 426.543 0.558 30 20 ICED COc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1748884180 RGXJJDISMRWAIF-QAPCUYQASA-N 447.517 0.997 30 20 ICED CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750535431 SUOHEGHQBCDAJD-INIZCTEOSA-N 445.549 0.544 30 20 ICED COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1769248065 RBCOOGUIHMDWDT-KGLIPLIRSA-N 425.449 0.984 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)CCO1 1770747333 PEFKHUZRLKNUIJ-IAGOWNOFSA-N 440.508 0.501 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777963730 WPGNALQNBMRFAD-JOCHJYFZSA-N 430.505 0.862 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5ccnnc5O)C4)C3)c2c1 1779920555 HNFMSSMIYROVJC-OAQYLSRUSA-N 433.428 0.687 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1781801138 XJRBKOQEVWVGEQ-HBUWYVDXSA-N 433.452 0.776 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CCO2)C1 1783195632 YIEDTDKUMWTZQO-PEBVRCNWSA-N 430.477 0.830 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cnnn1 1784600674 LDBJIFGDOCYXNH-YWZLYKJASA-N 425.449 0.015 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1784603524 SPWKHWPWSZTXHM-YJYMSZOUSA-N 429.868 0.903 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C[C@@H]3CCOC3)NC(=O)OC(C)(C)C)[C@H]2C1 1787515007 RWNUEWFUQUKROU-FKSLSLAPSA-N 449.548 0.919 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788631022 CZMVDZZKZWYPPF-UFYCRDLUSA-N 449.617 0.714 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328758 PERLNPWOBAQHET-YEWWUXTCSA-N 434.460 0.470 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c4c(nn3C)CCC4)[C@H]2C1 1790458013 DQCMVTIHEHBXLX-LYGXWFJISA-N 441.532 0.361 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1790788834 GKOIBLDRIPEAHC-CKBXSBTMSA-N 449.548 0.607 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1792145671 FJPQTOAWCRNUFS-BQFCYCMXSA-N 445.545 0.934 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422034 BNYWTZHKWZYZSJ-XAPVIXHLSA-N 426.517 0.995 30 20 ICED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)cc1 1792635617 DSHQZULCSVLUGA-HGKCTWBKSA-N 429.473 0.991 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1793086334 URCGSHDAQYFQRA-XMTFNYHQSA-N 437.537 0.818 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(Br)nn3c1)C2 1795083896 ZLJJUYQGPZNQCO-JJLQDPRZSA-N 433.266 0.609 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795421154 YKXTUXMRRVWGKK-KJOVKWNASA-N 436.509 0.252 30 20 ICED O=C(/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)NC1CC1 1796446010 IOWLWFZVDDERDD-DFZVPOAYSA-N 443.525 0.911 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1797648458 CQJRCUOIDINZOH-WPVAHCMFSA-N 436.505 0.839 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2 1798640292 GHQFJHJLJFRFEO-RCLSDMTESA-N 442.516 0.899 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1799392044 ZWTOQJHKDMGZMR-GGXPGOJBSA-N 443.508 0.745 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801764512 DNQTWZKBVPQIFC-DEYWJSPQSA-N 433.530 0.952 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 1801836708 IVPXJLAXNLJKQK-JNNRSPCRSA-N 431.445 0.845 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1801995736 NIOWLNHBKRILIF-FAQVEIGNSA-N 446.467 0.883 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1812668372 JLAIHMASHZPXAB-RHSMWYFYSA-N 435.431 0.851 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817357550 HUPJETULJUFEIO-WBVHZDCISA-N 444.536 0.693 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628820 WQIQZSGKFGDNAR-NTKDMRAZSA-N 439.512 0.986 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1829762238 AEJVSDRNHVHHOC-ZRHASKPBSA-N 427.448 0.347 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1829773785 VSOXQENAEWJPFS-LSLCWXNRSA-N 427.448 0.347 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1829787532 XLZDJGQNFPBQKC-JOCHJYFZSA-N 433.505 0.360 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831221511 PHCHOULOGJADBO-JOCHJYFZSA-N 432.517 0.790 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1831386692 IYBLXLOCCSQDPS-VBKZILBWSA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1831396332 JRXHWPNXJSJSDH-OYHNWAKOSA-N 444.463 0.810 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1831398688 HZXOJOBTJILYOD-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831431223 BNZBKHSHIIGDBV-PXAZEXFGSA-N 447.414 0.485 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831488546 XETYYTDRYZDZSC-FXAWDEMLSA-N 439.534 0.420 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1=O 1831884082 OSGMIBYAINGGHE-DEOSSOPVSA-N 435.480 0.507 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833737122 IZFYAESTUOTLHD-VFNWGFHPSA-N 438.500 0.754 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncccn2)CCO3)ccc1F 1834296222 WZRQAOQUVDQQQK-QFIPXVFZSA-N 439.447 0.800 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c1 1834448264 MUMUHMHXEXJJFI-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834635028 LNCGGLKYXWBTND-LJQANCHMSA-N 434.581 0.319 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834775163 UJUDKHGLAOYRQE-IRUYWQDXSA-N 438.477 0.072 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672727 JLQPULUUIOGACF-JOCHJYFZSA-N 445.520 0.442 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835753742 HSDRJANOJHZIRH-OAQYLSRUSA-N 447.532 0.466 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1837396253 DXVUBXBJUAGHOC-HTAPYJJXSA-N 433.505 0.739 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837397796 UZOFDCDICMJNPI-XXBNENTESA-N 437.581 0.892 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837398460 AMJMIRCKCNVPPQ-MBSDFSHPSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837438927 AWIQGNRFBJBBAY-HVHIPWAVSA-N 434.493 0.241 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837524578 JVDUDEOERZEORP-IHSVQVTCSA-N 433.465 0.076 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837562412 KOUWMRGGSQLILM-HBRDKIMXSA-N 446.420 0.100 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837675927 DHEQCWQPVUCHHU-SBUREZEXSA-N 442.516 0.933 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)c1 1838581800 QPWXZBYFPLDTNP-DENIHFKCSA-N 429.473 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838672298 RNCFGJHAODMBAS-JOCHJYFZSA-N 447.488 0.675 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838736241 SLNCEJLFTVUXRB-OAQYLSRUSA-N 442.476 0.113 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cc1O 1839420254 XXUVPALOTODUES-OAQYLSRUSA-N 443.435 0.520 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(Cl)c1 1839423564 KCSLYEJFUBYLOH-GHTZIAJQSA-N 430.892 0.810 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810562 DGLZFLQLWJHGBU-JTSKRJEESA-N 435.521 0.723 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c1 1839879949 ZZEZGZBQWJWEFE-IVZQSRNASA-N 444.488 0.161 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839890440 BCZLHVJNZKUTDL-IBGZPJMESA-N 425.432 0.876 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(F)(F)F 1839892281 DRZALUFPQZDQPY-SFHVURJKSA-N 432.443 0.843 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(F)(F)F)n3)C2)C1 1840042193 GMDHJKPNUOLQJG-GOSISDBHSA-N 441.362 0.258 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1840043228 MBBRLKCXVIIDBZ-JOCHJYFZSA-N 438.440 0.235 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840140056 NZUXXIQPWAZXIP-PWHSHALESA-N 430.501 0.612 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840171002 IJLNXYQGYDEROV-MONBJTKQSA-N 445.516 0.198 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCc3cccnc3)CCO2)C1 1840510295 VAPAINYBOYRBPJ-WMZHIEFXSA-N 429.517 0.899 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1845961038 OWWYIPFLHOLEDV-NYHFZMIOSA-N 430.505 0.196 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 21561963 KNNUQXBXWLGESV-UHFFFAOYSA-N 432.502 0.583 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409551640 TWYGVNXBZICBGS-ZBFHGGJFSA-N 430.552 0.837 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 428681205 FQLIXIIGUVNAPV-WCQYABFASA-N 432.424 0.752 30 20 ICED CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434997464 TZEXZRRRGVJJLK-UXHICEINSA-N 445.589 0.950 30 20 ICED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446530873 JNEIMPJGZOCNGQ-UHFFFAOYSA-N 437.522 0.461 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n([C@H]2CCOc3ccccc32)c1=O 461360786 LHZWZHGATVYWHA-SFHVURJKSA-N 447.520 0.797 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464819497 BQOILOVPRNITPX-OAHLLOKOSA-N 435.554 0.773 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2)n1 471900612 GCKHWQZAQGFCAO-OTWHNJEPSA-N 447.561 0.092 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 477626340 FUJISTHMZMTGPW-UHFFFAOYSA-N 443.894 0.715 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 480961715 ZNVIZZOSGCNADN-UHFFFAOYSA-N 425.495 0.909 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2=O)cc1 488263772 KHVYZRHOOPVFJW-HOTGVXAUSA-N 428.411 0.976 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 489173235 XJJSHCCJOGJJQR-WMLDXEAASA-N 440.547 0.252 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2)cn1 497716300 YNBHSUVIRSTECU-FQEVSTJZSA-N 435.532 0.721 30 20 ICED CCCn1c(CCC(=O)N2CCN(C(=O)CC#N)CC2)nc2cc(S(N)(=O)=O)ccc21 503641854 HFFXUGBQLJPOTK-UHFFFAOYSA-N 446.533 0.611 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 508116202 BKFBHWPYZLAOAM-ICSRJNTNSA-N 439.516 0.351 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508679019 PDUZYDFAMQZNSH-LJQANCHMSA-N 426.521 0.905 30 20 ICED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c(OC)c1OC 509164456 OTKZZIXVZGYSDB-AWEZNQCLSA-N 440.522 0.949 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 510025010 ZRQXZFCKCBDHIM-HOCLYGCPSA-N 430.552 0.712 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 515361049 SDIRVTSNHPBCMC-UHFFFAOYSA-N 427.486 0.873 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCC(=O)N4)C2=O)cc1 515927838 YULOLBSZSBGSAN-KRWDZBQOSA-N 433.424 0.745 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 519202189 DZRIOOSKOBWVNI-DLBZAZTESA-N 435.550 0.683 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c1 524281321 QJNHEERYLJBSBY-UHFFFAOYSA-N 443.525 0.539 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2=O)c1 533459488 MICKCZVTTMYFDV-KRWDZBQOSA-N 440.460 0.983 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 533690647 KBAJNYRORPYEFQ-UHFFFAOYSA-N 434.880 0.313 30 20 ICED COC(=O)[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 535764233 ZUJMBPUIZDEKFM-HXUWFJFHSA-N 434.518 0.322 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 537822518 FCKKFCNVPHAKNX-CYBMUJFWSA-N 448.423 0.978 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1)C(N)=O 553331861 ZMXJPUANCYBSBN-UHFFFAOYSA-N 448.545 0.996 30 20 ICED COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 556093142 BHBKYRRZQRBGOQ-UHFFFAOYSA-N 437.522 0.607 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(NS(=O)(=O)N(CC)C[C@@H](C)C#N)CCC1 560015077 BOSUWTLSAWHPCI-CVEARBPZSA-N 448.615 0.541 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 561218201 AHLQNFBATPGDEJ-SJORKVTESA-N 427.548 0.697 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)n(CCC#N)n1 562629351 BNBPQHZSYHXDMH-UHFFFAOYSA-N 438.897 0.792 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 577252147 SFGZJPCYYRNWER-SFHVURJKSA-N 427.486 0.539 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCO1 588812487 GDTMKDJNJQNLMW-INIZCTEOSA-N 444.536 0.689 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC[C@@H]1C 588871223 ODOTUMAAHYKREQ-TXPKVOOTSA-N 439.516 0.681 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCC 604119685 LYPQHCGWZFOWRQ-UHFFFAOYSA-N 433.555 0.753 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 604218721 GVKRNSGOQRRHHF-UHFFFAOYSA-N 438.444 0.575 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1Cc1ccon1 611222726 TXRCGGMVIWGJLL-UHFFFAOYSA-N 435.387 0.609 30 20 ICED CC(C)[C@H](C#N)N1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 619649193 CUFMFFZKKQCGKW-KRWDZBQOSA-N 442.607 0.876 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 673734910 OCWWLTQHADKXTK-OAHLLOKOSA-N 432.502 0.860 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 731214137 CLFANCNKWIFBKP-UWJYYQICSA-N 448.545 0.636 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 732466057 KJBXECZIRDURAZ-FMQUCBEESA-N 429.452 0.748 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(-c3ccccc3)c2=O)cn1 732663046 KMLYNBRMJLPMAK-UHFFFAOYSA-N 437.550 0.711 30 20 ICED O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)NCc1ccccc1 733887244 UFUQSZGVWPXZGP-QURGRASLSA-N 425.489 0.364 30 20 ICED Cc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1S(=O)(=O)NCC#N 741237286 UNSMIYJPNRHQOB-UHFFFAOYSA-N 425.492 0.290 30 20 ICED CCN=c1nc(NCC)n2c(SCC(=O)NC[C@H]3CCCN(CC#N)C3)n[nH]c2n1 742184640 ZUAGYVNHCDLRLW-CYBMUJFWSA-N 432.558 0.249 30 20 ICED C[C@@H](CC(=O)Nc1cccc(CS(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742593628 RBTNENJNNHSVCH-LBPRGKRZSA-N 436.515 0.931 30 20 ICED CC[C@@](C)(CC(=O)OC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756086440 HJRMOYGITNKFSD-FQEVSTJZSA-N 436.534 0.713 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2coc(S(N)(=O)=O)c2)c1 757641405 HUSSVWRJBSFONS-XMHGGMMESA-N 426.476 0.992 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758075634 JOWXYLCKYCKIIJ-UHFFFAOYSA-N 433.411 0.322 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CC1 761023562 IGUPRWPLKNDAFR-UHFFFAOYSA-N 438.550 0.138 30 20 ICED N#CC1(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 767399714 YDWFTEAATOBMHB-UHFFFAOYSA-N 437.474 0.510 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 768971962 KESLTMQXBXCKRR-FJAMSSDQSA-N 429.524 0.394 30 20 ICED CCCN(C)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 770622895 HMNWOPHTXZWXGJ-UHFFFAOYSA-N 428.536 0.662 30 20 ICED COC(=O)Cn1cc([C@H](C)OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 770705116 KDTKPVOSQOXDSU-SWLSCSKDSA-N 440.416 0.832 30 20 ICED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 778521658 GSVPGINDLSEWDG-AWEZNQCLSA-N 431.923 0.486 30 20 ICED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785081661 OIVQUDRIUVWXAW-WKRZDEFASA-N 449.533 0.565 30 20 ICED COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787755499 UPXMNQDIDYMMMN-UHFFFAOYSA-N 440.479 0.973 30 20 ICED CCCc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 904156116 LIURGOAFQUORAS-UHFFFAOYSA-N 445.501 0.924 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1)C1CC1 920655263 OTNYWLBZOOSALA-KBXCAEBGSA-N 438.278 0.891 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1286544581 YAUMVTGSCUAKAQ-UHFFFAOYSA-N 435.348 0.295 30 20 ICED CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCOC1 1296537471 WMHHQUNVPXHUMY-FQEVSTJZSA-N 448.549 0.987 30 20 ICED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1322051848 MXBAPONGRYFXAH-UHFFFAOYSA-N 431.518 0.937 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1360797634 UAHPMIDEVRCRJH-UTKZUKDTSA-N 426.477 0.846 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C2 1464423541 UBUUVEZMYVOZHX-HZPDHXFCSA-N 444.554 0.851 30 20 ICED C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 1637374971 QBDACENORRJWOO-OAHLLOKOSA-N 428.514 0.979 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](O)(CC#N)C3)CC2)cc1 1654017265 UAHAOCVHZXPXHV-FQEVSTJZSA-N 434.518 0.073 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1697007745 XTNSVUWBMUSXGT-GOSISDBHSA-N 441.492 0.206 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1706075230 LACCLFHGABCKEL-HIFRSBDPSA-N 429.568 0.601 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1711222054 OORVMTPDYIILOE-UHFFFAOYSA-N 448.549 0.734 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1741945629 UWGHEYJSCUFCLL-HOTGVXAUSA-N 439.586 0.882 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1746460932 XDBASKWAEXREEF-RBUKOAKNSA-N 444.584 0.516 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1766868124 ISFGCBDEVMEUHO-OAQYLSRUSA-N 425.493 0.909 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C2 1780735289 QEHLUKGOHTUYFA-DRSNIGMVSA-N 437.537 0.924 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)ccc1F 1781298777 UVBXCXNGGVDIGO-NRFANRHFSA-N 441.419 0.585 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194064 BCNXKNXOHDXNTM-NRFANRHFSA-N 427.461 0.541 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc[n+]([O-])cc5)CCO4)C3)c2c1 1782196949 SLJHKPUBJKYZAZ-JOCHJYFZSA-N 432.440 0.825 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)(C1)C2 1783444658 VUEARAGBHUKPOK-HRTMPFAESA-N 432.521 0.441 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1785574459 KSOCIOKLAQTPEZ-HTAPYJJXSA-N 436.553 0.733 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785646903 MWHIYFBWENZBON-TXFDGEMNSA-N 447.492 0.608 30 20 ICED N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)c1cccnc1 1788601809 MWTMREABXPPECT-MVLSSTSQSA-N 442.564 0.923 30 20 ICED N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788657606 DFDRQXVQZSYJOO-NPBBXORBSA-N 441.554 0.512 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1789905390 HBUNWBCSGVVAQV-VGWMRTNUSA-N 441.525 0.136 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1792148303 CSOZYJPJOIYGIQ-ZMMAXQRCSA-N 426.473 0.053 30 20 ICED 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)CC1 1792545173 VYXKPAUCYXSLNQ-ZJPYXAASSA-N 449.548 0.919 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)c1 1792631903 ILJLVWIJRALXHO-XUMLPFHTSA-N 427.505 0.788 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278966 YDCZKTSPESBFOK-YPIYEQTHSA-N 446.507 0.841 30 20 ICED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795413597 IWDHHHNEQPDKQY-HGKCTWBKSA-N 427.457 0.745 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)c(C(F)(F)F)n1 1796297218 PMHFAEXPOOOHDZ-CLLJXQQHSA-N 434.382 0.911 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237869 NJLHWHXDHPWOBY-HCBXPFHNSA-N 425.485 0.737 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 1800105967 WXLGLUIJVGUFLX-JONQDZQNSA-N 429.539 0.462 30 20 ICED C#CC(=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 1800456223 OMVOPFBXSWKTBD-KPEUIFRASA-N 431.493 0.068 30 20 ICED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)C1 1802405044 CVYLBNYSWQLLBB-KSSFIOAISA-N 434.460 0.493 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)CC)[C@H]1c1cccnc1 1802478596 USLCPBJAIVNYMF-KSALOMHHSA-N 448.545 0.381 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1807048248 PEDNVGSSTAGNMF-AJNKUGIQSA-N 440.504 0.392 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149399 FTHWEBARUDYGFC-QUCCMNQESA-N 428.537 0.895 30 20 ICED NC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810339877 WSYFDFKVKGOYEB-FXAWDEMLSA-N 427.505 0.454 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810359858 CKGYOBQSQYVQAN-BNKFEWDTSA-N 442.476 0.492 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1813334631 AXOXDLLPIVQUSE-LSWJPFSZSA-N 448.527 0.971 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1822027410 NPZKKFCCNBBZBW-KBPBESRZSA-N 426.502 0.833 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1826933680 PQJKSFYPQZXYDX-PMACEKPBSA-N 446.592 0.898 30 20 ICED C[C@@H](CN)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805799 DWFOETUCONTNCB-HTAPYJJXSA-N 427.505 0.947 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948577 WOWUDPRNADMJLO-UXHICEINSA-N 446.592 0.898 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCN2C(=O)OCc1ccccc1 1829446855 CJJRUOHCBSVJMQ-QHCPKHFHSA-N 439.468 0.937 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1829630794 BFYDGYNNDXGMRH-QFIPXVFZSA-N 439.472 0.690 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1832768786 ACBJJYPRRRMRBV-VGSWGCGISA-N 448.520 0.890 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832844322 NMMSSSARLOISHV-VGSWGCGISA-N 433.480 0.648 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1833087573 RHSXNPOBAFVZJT-YHAFYQSGSA-N 449.508 0.177 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1F 1833737687 HXIBNNIDIQKQAW-ZYNADVRWSA-N 447.467 0.893 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnc2)CCO3)cc1 1834380884 HDZGYRCAXMKLRQ-QHCPKHFHSA-N 437.500 0.844 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1835099361 HOQOBYPEWZLGNN-XMMPIXPASA-N 445.479 0.851 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835672348 ACXRTPJTGWZMHG-NRFANRHFSA-N 432.525 0.255 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835672499 CZBGSZDTQFHPFA-HXUWFJFHSA-N 435.550 0.803 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1836298392 VFRCMFYSQDSLLX-OAQYLSRUSA-N 443.891 0.888 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836881232 MUAQNTVQVIGHMG-FUHWJXTLSA-N 428.599 0.532 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1837398948 LDIRXRORCJPJOR-GCJKJVERSA-N 434.537 0.626 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cccn1 1837493537 JJXHGWCYUDEFOK-WMZHIEFXSA-N 444.532 0.599 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccs3)on1)CCO2 1837985842 SCDGOVIGPDYRAY-FQEVSTJZSA-N 445.453 0.561 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838051592 MUMMTIVGODWYAE-XOBRGWDASA-N 431.518 0.860 30 20 ICED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1838286539 DBGXOAWWEBTKAK-UHFFFAOYSA-N 442.564 0.746 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccccc1 1839194683 KEANCGWXCPDMBO-URXFXBBRSA-N 444.528 0.649 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227283 BGSKHRLLDAGPDF-GQIGUUNPSA-N 443.497 0.805 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839227408 PZCSWHBWXXSGCV-CBGDNZLLSA-N 440.541 0.549 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839989688 XOALVFJBDHMXNT-NRFANRHFSA-N 436.509 0.661 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017959 NJNLYVUTUJIRDL-QFWMQHCXSA-N 437.496 0.766 30 20 ICED CC(C)(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840040546 QOHVLGIDXKRZCK-QFIPXVFZSA-N 429.473 0.537 30 20 ICED CCSc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040684 SUUOQWVEVTYYMK-HXUWFJFHSA-N 433.486 0.352 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3C(F)(F)F)C2)C1 1840041380 JXVOFXZOKUNXEC-MRXNPFEDSA-N 447.391 0.320 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042223 HEKDEMQZVFRLOJ-NRFANRHFSA-N 434.565 0.582 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104160 HUFXSTAHAIDXQO-XMMPIXPASA-N 439.512 0.507 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840159060 WMPSURLFEPXORA-ACJLOTCBSA-N 427.548 0.253 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1840165193 PSKHMGROYHADMU-QYWGDWMGSA-N 435.546 0.580 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840173222 JWNUTAUXNOKZJP-JOCHJYFZSA-N 428.489 0.523 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840231906 IZAGLBPDYBFBAR-XMSQKQJNSA-N 426.473 0.154 30 20 ICED CC(C)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)c1ncc(Br)cn1 1847663967 KEPWTVHSYIPHNU-STQMWFEESA-N 435.278 0.807 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 430405994 SSMATHMTYBHASN-JZXOWHBKSA-N 435.525 0.909 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 431594875 GZBAYCACGIZLCT-UHFFFAOYSA-N 437.341 0.528 30 20 ICED COC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 433965861 SNHPPVOHYMAPTF-LJQANCHMSA-N 440.497 0.484 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)n1 434597947 SBRHOORWBSIPIY-UHFFFAOYSA-N 428.880 1.317 30 20 ICED N#CC1(NC(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)CCC1 438874579 GPTHZYGLQVSHHI-UHFFFAOYSA-N 449.532 0.996 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1=O 440276741 AONZCUBXJBBLRH-GOSISDBHSA-N 428.489 0.272 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 442433655 FVFOLZTVIBVMBZ-UHFFFAOYSA-N 437.504 0.562 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2C)CC1 446164968 ARRHKAOKNPCEFW-UHFFFAOYSA-N 426.542 0.431 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 448447539 NXUTYWCEJMRNCQ-RISCZKNCSA-N 432.424 0.895 30 20 ICED CN(CC(=O)Nc1cccc(CN2CCNC(=O)C2)c1)S(=O)(=O)c1ccc(C#N)cc1 462405565 DJLYBPPWBVYKST-UHFFFAOYSA-N 441.513 0.749 30 20 ICED Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)no1 465134808 XILSJLWIZHBOLP-TZMCWYRMSA-N 429.506 1.442 30 20 ICED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465423332 QPGHIWURBLOUNX-CQSZACIVSA-N 438.444 0.576 30 20 ICED CC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 484436237 VNUGHPSIDWJPHY-WMZOPIPTSA-N 436.534 0.880 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 488325845 PXUKMIPLCKUGPZ-KRWDZBQOSA-N 427.548 0.793 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 488652649 YPFYWDKYYVSAPK-KRWDZBQOSA-N 447.451 0.769 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CCN3CCOCC3)c2=O)o1 489034552 CPJLMOWARSKCIB-MRXNPFEDSA-N 443.525 0.252 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2[C@H]2CCCO2)CC1 511645798 IFOXWRRMSCLJOO-RTBURBONSA-N 448.545 0.271 30 20 ICED N#CCCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 532665920 HFCVWGSEVUBIKV-UHFFFAOYSA-N 445.501 0.632 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 537170414 SOSUMHBUUJPHNR-JTQLQIEISA-N 437.341 0.515 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 538170298 YEXKWAOWRIAAGG-INIZCTEOSA-N 438.550 0.252 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 538428287 NHZBRGGXCSOWDT-HNNXBMFYSA-N 444.517 0.312 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 553527540 HXYPQGXXKZIHBF-FPOVZHCZSA-N 441.576 0.602 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1sccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 556210291 TYSZBKULGVKHJQ-OAHLLOKOSA-N 429.506 0.895 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 573033641 NOLRHRNQTNAKSP-RTBURBONSA-N 433.597 0.402 30 20 ICED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 579532884 RQGLWLQVDFPPIU-QZTJIDSGSA-N 433.578 0.854 30 20 ICED CCCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 583893556 DZIOJFSANXKMGR-VQTJNVASSA-N 425.533 0.966 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C 589242370 TYXBUDFVTSCQBO-UHFFFAOYSA-N 434.522 0.869 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603793733 YSTPOABSRLJZAO-UHFFFAOYSA-N 443.525 0.769 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC(C4CC4)(C4CC4)C3=O)CC2)cc1 725766702 XWXZWKBTZVVTLB-UHFFFAOYSA-N 443.529 0.933 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCCOc2c(C#N)cnc3ccccc23)n(C)c1=O 726365792 FKHFNXBPXSADHJ-UHFFFAOYSA-N 448.439 0.866 30 20 ICED CC(=NNC(=S)NCCc1ccccn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 726418638 DGCIVXCWBABCFU-UHFFFAOYSA-N 435.531 0.875 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 727010771 LYXHLCJKFRRNCI-UHFFFAOYSA-N 430.367 0.864 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731289556 IGHKDMSTRIYOCH-UHFFFAOYSA-N 426.495 0.260 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cnccn2)cc1 737237234 JXJRVFYEJWVSFV-UQQQWYQISA-N 445.505 0.456 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O 741732143 HZTWJHHYSJPREU-UHFFFAOYSA-N 432.481 0.964 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 745812778 DIFOSZMLXVLLKF-ISLYRVAYSA-N 435.506 0.441 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749776106 BLYICDVJYDAHSN-UHFFFAOYSA-N 429.444 0.601 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 750310349 AOMHKMHVPPXRRP-KRWDZBQOSA-N 429.444 0.890 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccnn2C)cc1 762694608 ZTLWTNWOHWUQHF-QJOMJCCJSA-N 432.506 0.530 30 20 ICED CN(CCCNC(=O)CON=C(N)c1cc(Br)cs1)S(C)(=O)=O 762709932 DXNAHFZDXQSNBO-UHFFFAOYSA-N 427.346 0.545 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 771436283 JJKMIHKLSDBHBL-NHCUHLMSSA-N 428.445 0.814 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776139607 UGJISUJONVBYJX-UHFFFAOYSA-N 443.547 0.636 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1 789786853 AXEPJWKSYVADCG-UHFFFAOYSA-N 432.502 0.842 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)n1 789787434 JMWIJNBPDDZBRQ-UHFFFAOYSA-N 447.517 0.347 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)cc1 792661338 JKCSVLZBWZCCKO-QGZVFWFLSA-N 438.465 0.620 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 793041828 JQQBTJGUKKVYKS-UHFFFAOYSA-N 449.467 0.261 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 794627571 FNLNRPYAYWBOJE-UHFFFAOYSA-N 433.555 0.858 30 20 ICED CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 804753602 GHDVQGNHAHQTLU-UHFFFAOYSA-N 428.493 0.585 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 813982134 SFRAQCVJCNASFY-CYBMUJFWSA-N 428.426 0.582 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2Cl)c1=O 838166254 FVNMCHLNVJXFON-CYBMUJFWSA-N 435.933 0.864 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(CC)cc3)CC2)c1=O 917453874 UKJHQVYUPZWYQB-UHFFFAOYSA-N 439.516 0.522 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)N(CCC#N)c1ccc(F)cc1 919132656 VWRGCFWWJBDKJL-ZDUSSCGKSA-N 437.453 0.716 30 20 ICED Cn1c(C=NNS(=O)(=O)c2ccc(Br)cc2)nc2c1c(O)nc(=O)n2C 920358322 AGMHPTJELVQXRF-UHFFFAOYSA-N 441.267 0.448 30 20 ICED CCS(=O)(=O)c1ccc(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1356041923 HXEFAYOBPZPBPP-MRXNPFEDSA-N 426.516 0.379 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1360681380 QHLAMMCSWRUNID-SJKOYZFVSA-N 439.521 0.725 30 20 ICED CC(C)(C)OC(=O)NCC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)COC1 1470326526 ALSKMVQCYZUVBJ-UHFFFAOYSA-N 438.506 0.525 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 1478405147 YPGAPXNCIJLOEC-DZGCQCFKSA-N 427.527 0.565 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539574508 LXDBHKJMBNKXGC-WDEREUQCSA-N 435.348 0.464 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 1555991240 YBWQJPQLFUDKQF-INIZCTEOSA-N 441.579 0.745 30 20 ICED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1619597523 UTJPIVWILBYNDI-SFHVURJKSA-N 428.493 0.949 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)nc1O 1671658324 UCBRCFZNKRTXKZ-SFHVURJKSA-N 426.477 0.411 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1764581030 LJJVNJYQHDZHTG-HNNXBMFYSA-N 425.493 0.922 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1766264066 ZBYOPILNCALEJP-INIZCTEOSA-N 438.492 0.469 30 20 ICED COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1770757993 ZBGVQNNQXBRJAL-SJORKVTESA-N 440.508 0.763 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1780176034 WAITXLKDSPKLEG-OAQYLSRUSA-N 439.476 0.343 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780221551 XZZLFBBBBHMDPP-DYESRHJHSA-N 435.477 0.804 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1)C(=O)O 1780408417 SPAQZNONDJGJJN-NJNPRVFISA-N 428.489 0.748 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c(C#N)c1 1781171155 KEJMDAXTFFWVNS-JOCHJYFZSA-N 443.504 0.210 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782660654 YCJCPCQQWFHHBR-HSZRJFAPSA-N 435.484 0.578 30 20 ICED Cc1cc(Br)cnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561499 VCPTYWJPFCYSIA-GOSISDBHSA-N 436.262 0.684 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(C)(=O)=O)c3)[C@H]2C1 1783746361 CQQOIEMLESSQQI-UHMOLFJZSA-N 448.541 0.722 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1784532214 ZUQFZUMBBDXRLG-JVNPIMRCSA-N 426.608 0.947 30 20 ICED Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786916667 XZKUAXIUOMYZTE-KKUMJFAQSA-N 434.566 0.909 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 1790214226 NFWGKUSUOOBWFC-LSOMNZGLSA-N 431.445 0.932 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1)C(=O)O 1790229929 OBYKHMAFNKIIHM-IKICRFKJSA-N 448.907 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN(CC)CC)[C@H]2C1 1790594574 JGZPFZROPNLSRQ-PGJGNZRUSA-N 434.581 0.802 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1790862174 WRJSWPOPOMGEME-ZEWNOJEFSA-N 426.517 0.995 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312308 BEHOFRDDTZQCPA-RFGFWPKPSA-N 436.431 0.446 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217541 GMWOYJUYMMCLJD-RWNQJQHJSA-N 444.484 0.835 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccc(C)cc3)[C@H]2C1 1792250779 UOAUZNRJSDVOHC-HZEGPAAWSA-N 441.528 0.743 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC)n1)C2 1792484148 CLGRBJNNMNSAIC-VLTQWEFMSA-N 428.489 0.081 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CN)c1ccccc1 1795676026 YPSKHQDULKDRDQ-RCLSDMTESA-N 429.517 0.828 30 20 ICED 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 1795980166 JONZTOIKKMBKGN-BQJWPVKWSA-N 449.552 0.134 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2c(n1)OCCO2 1796283187 PJTUYNRYRCJUKY-KXJCPHRKSA-N 443.504 0.528 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)c1ccccc1 1797876172 DKJYKQKLCDZSKA-IIZPIQPGSA-N 437.544 0.613 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1797913536 WFRYKJAFENHTAW-IZZQQSIFSA-N 441.594 0.994 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)n1ccccc1=O 1797933322 CVVVENMAFKANLX-NXWNEQKCSA-N 441.528 0.698 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccccc2)C3)c1 1798696064 XNKAZLCOLDEXGG-RMFSNUHRSA-N 435.484 0.910 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)c(=O)[nH]c1C 1799745071 PFBGGIJKLGCBQG-JLVBRIDZSA-N 439.447 0.915 30 20 ICED 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442.463 0.921 30 20 ICED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838394955 HXJFLEGEGNSVQZ-JOCHJYFZSA-N 431.489 0.752 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732970 GXHKBEDNJHETIN-NRFANRHFSA-N 425.445 0.674 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949757 RRPYPCRMKFRHIM-QFIPXVFZSA-N 428.489 0.497 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccc1O 1838974268 GEOCYDWTFGMDHQ-JOCHJYFZSA-N 440.456 0.984 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2)C(F)(F)F 1839104738 IYZAUGQOVNAQDF-QFBILLFUSA-N 448.486 0.197 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839227571 UDBJLBHDVFOCKV-QVKFZJNVSA-N 448.476 0.681 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839389276 FOXYHDWICRJTIM-OAIBDCNXSA-N 442.472 0.517 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1839422454 VTRYUWGBZXOFLA-NRFANRHFSA-N 442.451 0.449 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839447021 FHGHXZBKRPJQMG-JOCHJYFZSA-N 446.504 0.450 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1839895980 GEOJCBKRYNDVKF-JOCHJYFZSA-N 426.469 0.448 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1840043239 MREXUGXPNWDSOZ-LJQANCHMSA-N 440.374 0.863 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1841598436 JGSDUBYVFVJNLC-ZWKOTPCHSA-N 447.557 0.904 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)[C@@H]1SC(=N)NC1=O 1843409743 IGBTYSJFNNUCDC-DYVFJYSZSA-N 441.513 0.943 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@@H](O)C1 1846195997 YYOGFRSZJCHYQH-BTYIYWSLSA-N 449.504 0.286 30 20 ICED COc1ccc(Cn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)cn2)cc1 1848158717 GWMQPWAAZBNGCA-PMACEKPBSA-N 436.468 0.772 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 434576815 RYESVAIWUNBODP-ZFWWWQNUSA-N 436.394 1.548 30 20 ICED COC(=O)CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 437218924 URRFLXRGCQLSLU-UHFFFAOYSA-N 441.531 0.538 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OCC)c1 440395289 XQZXSKPYMWWAPD-UHFFFAOYSA-N 435.509 0.836 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CC1 442285394 QIEDVXJYICADNL-UHFFFAOYSA-N 438.488 0.962 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3nnn(-c4ccccc4)c3=O)CC2)cc1 444406781 JPFCUZZGXYASLB-FQEVSTJZSA-N 433.472 0.847 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H]1CCOc2ccccc21 461367373 RPTJUBCAYMABQC-SFHVURJKSA-N 447.520 0.820 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2c(F)cc(C#N)cc2F)c1 467141420 XLPCRRGPJMISID-UHFFFAOYSA-N 444.441 0.662 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc3ccnn23)cc1 478588781 MJEQLDKNCIXYHL-UHFFFAOYSA-N 428.474 0.791 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480923685 CJBWXEYUOPXOFF-UHFFFAOYSA-N 439.453 0.882 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486468257 KNYKCCAOVFLOCY-VQTJNVASSA-N 440.548 0.901 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 488984016 NNXWZHVZUIDWNY-KGLIPLIRSA-N 425.466 0.520 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 502039665 JQEMZHHDEXCJGY-UHFFFAOYSA-N 431.587 0.958 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)CC1 506253290 HYJQKSSKXCCGBR-UHFFFAOYSA-N 447.970 0.010 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CCOc2ccc(Cl)cc2)c1=O 514312862 CMAHGDLJHAVRBJ-UHFFFAOYSA-N 434.880 0.735 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514752276 PEQAQPUVBFQDJY-VQIMIIECSA-N 441.532 0.079 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(CS(N)(=O)=O)CC1 535590177 KASZUIIOWSHGNZ-UHFFFAOYSA-N 425.555 0.952 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 541401934 QMTILLJQZWTAEY-LBPRGKRZSA-N 428.367 0.801 30 20 ICED C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C(N)=O)C1 549675952 VZOZRLKZXIMJFY-KRWDZBQOSA-N 448.549 0.674 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 549995173 VTXNBVCFSNVKHT-OWCLPIDISA-N 426.543 0.776 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 554624566 SNBUEVYMLRZTMO-UHFFFAOYSA-N 442.497 0.625 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)nc1 556327164 ITDLQEUDZSUIIQ-AEFFLSMTSA-N 447.451 0.777 30 20 ICED CC(C)(O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 564113980 YTXFLSNPGGQMQW-KRWDZBQOSA-N 431.512 0.697 30 20 ICED CSc1nnc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 589168594 FCOLUFJVPUVVHO-UHFFFAOYSA-N 433.519 0.962 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)CCN2C1=O 590235738 MOQSZPKRDOWMFX-ZDUSSCGKSA-N 434.250 0.754 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN2CCS(=O)(=O)CC2)CC1 603892607 RFEOYRBVOIXIJK-UHFFFAOYSA-N 447.517 0.869 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2F)c1=O 604269954 KOYOCKXQHIFTFB-UHFFFAOYSA-N 428.489 0.263 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 609402119 IPGYWWWVCKRXEV-UHFFFAOYSA-N 431.518 0.826 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C 610500703 OIFKDFISSGQKMJ-UHFFFAOYSA-N 443.554 0.351 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615629896 XCGVYHFTVSSZEY-SFHVURJKSA-N 440.453 0.119 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 725764386 SCXWKCZKMJZDTN-UHFFFAOYSA-N 427.486 0.092 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2cnn(C)c2)c1 726856402 KJPCKAZOZRSYFT-HKOYGPOVSA-N 446.533 0.920 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 727164388 MYRNJDGVTNZXBZ-UHFFFAOYSA-N 440.916 0.806 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 729281541 GQFFIQMYYCBWHN-UHFFFAOYSA-N 434.562 0.613 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673437 POMGWOAEWLVNKL-UHFFFAOYSA-N 447.582 0.599 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730251253 FVORXFKSMDOTHE-UHFFFAOYSA-N 428.426 0.806 30 20 ICED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 731927892 BNRQCXTYKGWFRN-UHFFFAOYSA-N 437.522 0.978 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)c2ccccc2OCC)CC1 733150615 QIFOZEMPRDWATP-UHFFFAOYSA-N 428.533 0.879 30 20 ICED C[C@H](CC(=O)OCC(=O)NC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 745498578 YDRSTMYLMVXSFP-GFCCVEGCSA-N 448.457 0.666 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 749381061 OLEZONXMFHMOAX-OAQYLSRUSA-N 441.507 0.638 30 20 ICED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1F 753232824 YUBCDILCTBOAMA-GOSISDBHSA-N 430.461 0.954 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)n3nnnc3C(C)(C)C)CC2)o1 754982902 NRUYTRITUCZHSA-LBPRGKRZSA-N 430.469 0.592 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 761036361 GEDLUUIHNMHXIM-UHFFFAOYSA-N 430.914 0.381 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 780318129 JFPVJLWTOGNBJU-AWEZNQCLSA-N 446.489 0.513 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 785073619 NOXWXCFBGQFRQR-UHFFFAOYSA-N 443.481 0.835 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 787665881 BDBDSONJZFEONF-KRWDZBQOSA-N 448.545 0.941 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 789793479 LDSOOTXXTLLCCJ-UHFFFAOYSA-N 429.502 0.944 30 20 ICED COCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 789823335 PXTLOZQCMDZHJK-PGMHBOJBSA-N 426.495 0.912 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCn1cnccc1=O 796809142 VLWKLWGOXITARL-UHFFFAOYSA-N 437.412 0.557 30 20 ICED CS(=O)(=O)c1nnc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 803217916 HUDHURRADSHGNP-UHFFFAOYSA-N 444.516 0.504 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 803415103 JJWVUIDRGFSVSQ-OAHLLOKOSA-N 427.548 0.342 30 20 ICED N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 803832382 AERBHGMGQXITTJ-AWEZNQCLSA-N 425.894 0.700 30 20 ICED C=CC[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccncc1 804148885 QIQQHIOCCBNEGR-SFHVURJKSA-N 437.504 0.460 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)n1 805748774 GODFGTSDNXRDRD-UHFFFAOYSA-N 440.504 0.039 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccon1 814249930 FEFQJBMDLVKBCY-UHFFFAOYSA-N 446.439 0.189 30 20 ICED CN(C)c1n[nH]c(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 816520974 CPLRRSLUIBAHDY-UHFFFAOYSA-N 431.522 0.706 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821708613 YOZLPGMQQWOSCO-UHFFFAOYSA-N 431.426 0.234 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 916200083 SYVQFJGIEXGZKI-UHFFFAOYSA-N 443.525 0.699 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCCC1 919671581 IWTFUMGJVCJNMT-HNNXBMFYSA-N 442.563 0.987 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 921163712 NTTCTJDGZAUNMN-UHFFFAOYSA-N 430.486 0.661 30 20 ICED Cn1cc([C@@H]2CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1212261664 LBOJEYISLOOXLB-OWCLPIDISA-N 440.526 0.182 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1359076198 UVSGIDGYCKRBGS-UHFFFAOYSA-N 441.330 0.718 30 20 ICED CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517752519 SGRAUNNKTMIURP-GJZGRUSLSA-N 427.513 0.828 30 20 ICED Cn1nncc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1554367413 SPQHSZSXHLSDQT-INIZCTEOSA-N 441.883 0.767 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1740739441 SQSKRXQDNWBRNQ-RYUDHWBXSA-N 449.375 0.889 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1751194422 LSFOXWWMCDICEQ-RHSMWYFYSA-N 434.522 0.812 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1765013991 NFFQLFKKJKSXFP-OAHLLOKOSA-N 447.446 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1777845774 JFXNSVMDWJOSMM-ZLEMIKBQSA-N 427.505 0.761 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778788139 UTLADDXHLMWSGM-NQIIRXRSSA-N 448.451 0.134 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173764 DPGKSJFIAJKGOF-LAUBAEHRSA-N 446.460 0.075 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)C1 1780935376 MUUJCZSJTHTASV-NRFANRHFSA-N 430.530 0.688 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c(C#N)c1 1781171140 JOGVQVWSLGUTMG-QFIPXVFZSA-N 437.456 0.749 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1781743674 HOXAUGWZOPEORL-ZDPZECHZSA-N 432.521 0.983 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963696 LXZYWKVVCWJYNN-LHSJRXKWSA-N 431.468 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)c2cccn2C)C1 1782611972 WAYJPPDRVCSUBH-PWPXAWQVSA-N 442.516 0.580 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729655 HPUKASWWHPZECV-HYBUGGRVSA-N 442.560 0.786 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783110995 WIFOTTXUFNYQGX-JXFKEZNVSA-N 427.567 0.700 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784509564 SAZFRNJZNJOJEQ-BHJOUFRFSA-N 447.536 0.938 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1785430225 RDJVFLBRNOXAAA-VGSWGCGISA-N 435.521 0.866 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539882 RCKPCCYGYLJKFN-UGSOOPFHSA-N 427.548 0.268 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nc4ncccn34)[C@H]2C1 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CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2SC)OCCO3)c(=O)n1C 461366064 MHWKJBQOVJUKQX-UHFFFAOYSA-N 431.539 0.969 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 464854331 OQEKWPPAANXFDM-CQSZACIVSA-N 441.517 0.095 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)CC2)c1C#N 471681347 ZTTNTAWQBYSBRB-UHFFFAOYSA-N 432.462 0.874 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)n1 472158656 PXXOYBUIGDJVRE-UXHICEINSA-N 440.548 0.527 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 477028713 OXALPSVKEJAQSO-IBGZPJMESA-N 439.497 0.660 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 482844075 ZCASCTVRCXTPEC-IAOVAPTHSA-N 425.532 0.793 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)CC2)c1C#N 484960438 HYKBVXATKWCWJI-DLBZAZTESA-N 429.506 0.304 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 488968767 COHAAJNOEDMZJV-ZDUSSCGKSA-N 441.465 0.436 30 20 ICED Cc1noc(CN2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)n1 491374559 LIIGKZYMLLUATO-UHFFFAOYSA-N 435.448 0.172 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500634473 BCFWLWDKOKTSAD-AWEZNQCLSA-N 425.283 0.411 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2F)c1 503279383 HYQLGDYHXYTCGK-UHFFFAOYSA-N 439.403 0.883 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)cc1 503300262 FNEHZFZLNUVXOU-AWEZNQCLSA-N 445.563 0.713 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COCC2CC2)C1 508938863 NSYUBCNXUXBDNT-DLBZAZTESA-N 441.554 0.429 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 510232743 ZGVBGFSBGSKDCS-QFBILLFUSA-N 447.561 0.847 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(C)n2)c1=O 514523648 SJYFWXCOKGYTOB-UHFFFAOYSA-N 429.571 0.528 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CCN(C)CC1 516826339 AZCUFRBIGTYQTQ-UHFFFAOYSA-N 431.587 0.908 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 527097306 GEQQFMIELLPHDD-UHFFFAOYSA-N 435.444 0.574 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(Cl)c3)c(=O)n2C)CC1 535917549 GPKHBDFEVXMDIR-UHFFFAOYSA-N 434.924 0.906 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541146986 ONVDXICDSJYGMC-OAHLLOKOSA-N 430.852 0.699 30 20 ICED CN1CCN(C(=O)c2cc(NC(=O)N(CCC#N)CCN3CCOCC3)ccn2)CC1 542687152 PJOZNLRYHFXYLI-UHFFFAOYSA-N 429.525 0.549 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 542940710 IQOSPAATHIWWAI-UHFFFAOYSA-N 443.466 0.697 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 553250028 KIVSJTNAUMQERK-SFHVURJKSA-N 429.565 0.678 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2=O)cc1 556087774 FAVNFVZXGJKGNJ-QFIPXVFZSA-N 445.523 0.950 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 564460018 BOXRTPHVXBRQFN-UHFFFAOYSA-N 445.505 0.398 30 20 ICED COc1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(N)(=O)=O 570503810 NKIRPJBWEOCQOM-UHFFFAOYSA-N 437.499 0.445 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)n1 570863220 RPKQNGVZXWFSAI-UHFFFAOYSA-N 436.432 0.058 30 20 ICED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCN2C1=O 611430218 QXKLSPBNMDDKIP-OALUTQOASA-N 442.495 0.503 30 20 ICED N#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 611626457 HUFMMCVMLRELAI-RDJZCZTQSA-N 430.442 0.907 30 20 ICED O=C(NCC#CCNC(=O)C(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 680339347 DZCZAISDANGQQW-UHFFFAOYSA-N 442.422 0.133 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 729257467 GLQDRHYONOUUOT-UHFFFAOYSA-N 440.953 0.488 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1OC 729428901 YHGVOOPESUDPRP-IUODEOHRSA-N 434.474 0.550 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc2c(c1)OCO2 735294647 CFSQWOGKMUMTCV-UHFFFAOYSA-N 449.492 0.649 30 20 ICED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746242127 QMGZLNFAYNDSRV-VHEBQXMUSA-N 435.506 0.858 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cn1 749868577 FDWHTQMDNXJFES-CQSZACIVSA-N 427.530 0.505 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)[C@H](C#N)C1 754380982 YAIOVNRVRIABSG-SNVBAGLBSA-N 442.270 0.683 30 20 ICED C[C@H](CC(=O)N1CCSC[C@H]1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 756945117 PIKJOKWAMGEOFW-IAQYHMDHSA-N 431.561 0.450 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 761039060 UCHKRZOLRMKSME-ZDUSSCGKSA-N 425.467 0.016 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1csc(CS(C)(=O)=O)n1 767625432 BAGWRCULGKTYLS-NSHDSACASA-N 443.528 0.970 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(NC(C)=O)c3)c2=O)cn1 772301595 YGRUIKWQKYLYHA-UHFFFAOYSA-N 434.481 0.403 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccc(OC)nc3)c2=O)cn1 772314677 OSXYEEHLVGMQGP-UHFFFAOYSA-N 436.497 0.629 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 772572850 GZRQRPDKYJUSSF-RDTXWAMCSA-N 431.518 0.931 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)[C@H]1CCCO1 775791913 XKXQAIILKGDVBS-VQTJNVASSA-N 435.546 0.689 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 783618778 WLRXIUUWSKPZTQ-UHFFFAOYSA-N 439.353 0.835 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2nnc3n2CCCCC3)n1 786050131 KKFUWHNZDUVMMT-MRXNPFEDSA-N 427.509 0.687 30 20 ICED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787789719 FFUFGAXJIUOSFY-OAHLLOKOSA-N 429.502 0.768 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1cc[nH]n1 789947215 ZQNDUOJFWZECNZ-UHFFFAOYSA-N 437.478 0.260 30 20 ICED CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)S(=O)(=O)CCO1 798279637 REASCQPFELFTGK-UHFFFAOYSA-N 425.488 0.068 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 800742602 WLZOHTGYYIBWBP-UHFFFAOYSA-N 433.538 0.974 30 20 ICED CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CC1 802529084 PTAFUZKUBBEAQC-UHFFFAOYSA-N 427.509 0.633 30 20 ICED C=C(Br)CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 809148676 GVCFNWVFKAYOKL-JTQLQIEISA-N 430.280 0.781 30 20 ICED COc1cccc(/C=C(\C(=O)NS(=O)(=O)c2cncc(C#N)c2)n2nnnc2C)c1 813982344 WVIAWXSMKBWHBS-CAOOACKPSA-N 425.430 0.760 30 20 ICED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916870679 KHBYEAZIXUPHGL-SFHVURJKSA-N 437.518 0.961 30 20 ICED CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1148851038 KCSKYOXJLFZQLN-UHFFFAOYSA-N 439.490 0.837 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1291189977 MQAJRIOPUZMPQJ-HOCLYGCPSA-N 428.518 0.918 30 20 ICED N#Cc1sccc1N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1300768318 KUOXNIZHLJWZPP-GOSISDBHSA-N 431.562 0.982 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1300831073 QUNHZCJSOCQQNQ-YPMHNXCESA-N 449.375 0.902 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccsc2)C1 1302483776 KLHXWMJRWPSKQU-CABCVRRESA-N 438.535 0.450 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1303822978 IRKRCUYWKKZDFS-HNNXBMFYSA-N 439.586 0.739 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1359652951 YJVGNEYAYRHSQT-ZTFGCOKTSA-N 444.533 0.460 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1ccccn1 1360713992 MCCJWSLBWGSAGC-HUUCEWRRSA-N 433.538 0.990 30 20 ICED C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494519002 MRWWKLVNSBOIDC-FGTMMUONSA-N 431.541 0.742 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1510287814 CPXCIIOGELHZQH-IBGZPJMESA-N 436.538 0.194 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1541803699 LFMOTNFGTLLCBP-BBRMVZONSA-N 437.501 0.932 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1545148151 IUWOGUSXUYYVMX-YHEJKZAPSA-N 440.504 0.970 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)CC1 1561220207 NJRWCNGZUHWVPN-UHFFFAOYSA-N 431.559 0.332 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1618844753 KSGRVPCKXYCDKR-QGZVFWFLSA-N 445.549 0.529 30 20 ICED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1691367892 JSPIORMUTSKXQH-KSSFIOAISA-N 426.543 0.512 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1710898308 YAMXRFHZQVFWDL-QGZVFWFLSA-N 445.549 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1761500640 MMGHBIOOZDRRNU-CGTJXYLNSA-N 447.565 0.920 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1766878016 PPHPRULQMHCNEJ-HNNXBMFYSA-N 432.506 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778522315 YJHGCZFQYNCBTG-QATSOJGNSA-N 438.488 0.340 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1779000800 ZLLSKTHWYKUPPX-UTKZUKDTSA-N 437.613 0.930 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060982 LJBARRHKIVTLIE-HSZRJFAPSA-N 433.549 0.821 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069748 XBRSYXRLLYYDHH-CVDCTZTESA-N 433.549 0.820 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779099245 CDKHWQLEFUYTDS-YITPPGKRSA-N 433.509 0.859 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362611 NXCCJTKJBPQJTJ-SZZBOLBSSA-N 440.382 0.979 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961253 JUCJJXPRHRHWIH-VLIAUNLRSA-N 437.493 0.822 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781971268 SPJIQFYDEVHFSQ-NQIIRXRSSA-N 448.907 0.806 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195030 UPKNOALZYMXZBZ-NRFANRHFSA-N 439.476 0.149 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783344878 XQEQADFESPPCNE-OITPDSKSSA-N 428.533 0.892 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1785573275 ULVJPAKEYIEFSU-KSFYIVLOSA-N 445.520 0.780 30 20 ICED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)nc1 1785708645 VLCDTAVLXYMKPO-QRTARXTBSA-N 432.502 0.382 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)CCC1=O 1788652849 OGOOFDXZFOJPEP-MOFWARSWSA-N 449.508 0.103 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1788661335 LWYJPUSETGSTSO-NPDXQQHJSA-N 445.520 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1792485907 IYOUJJHYQQXUBT-OIQBNGKOSA-N 442.472 0.585 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1792490408 ROLQGSZMFXEVAW-OLPNXUKYSA-N 427.501 0.038 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1NC(=O)C3=O)C2 1792565982 MXMCZZMPIVSQFE-AWUZYYAWSA-N 436.468 0.932 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793262517 VGOKOPCQRKGJQK-UPHUGPLXSA-N 426.469 0.452 30 20 ICED C=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]1[C@H]3COC[C@H]31)C2 1793599853 HRABQHSDWDSXCG-XJBBOAPUSA-N 449.548 0.938 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794675063 KUDQNPAGWKAOPJ-MHORFTMASA-N 443.504 0.596 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] 1798594087 PDHDVHCSJGSOGW-PJHJGJPPSA-N 447.444 0.551 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801454110 CQQRAYQFOZOYBX-RIXZCIFLSA-N 433.509 0.871 30 20 ICED C#CCCC(=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 1802017610 BNQNDKPMWZUURU-RFXPCRSYSA-N 437.537 0.918 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802112778 VJQINVDNRYUIIP-LWASTNQWSA-N 429.517 0.986 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1819467687 ALJQDIOZSKDMRH-NTISWIMFSA-N 449.489 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(OC)n(C)n3)sc2C1 1821762758 NYEDZHHUCWJGQD-KRZKBDHCSA-N 444.517 0.969 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1829770448 QIZUAHSKVVINRY-QATSOJGNSA-N 444.488 0.019 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1830410431 PPXKSTPDLYKFAC-WBVHZDCISA-N 435.525 0.959 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830953525 UYHWQXVPAAPNGB-AVRDEDQJSA-N 434.537 0.301 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831392992 SECNYPYKBSWRTJ-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831396968 MYCPSKRMJICMSJ-ZHRRBRCNSA-N 447.488 0.207 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831425407 DBFAFBXRVMBMPO-HRAATJIYSA-N 429.477 0.390 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1831670339 SNRILERCJMZZIT-MRXNPFEDSA-N 448.501 0.159 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1832452985 NAQGNYRWMMGUEA-OAQYLSRUSA-N 449.529 0.857 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)C(C)(C)C)CC2)CC1 1833283564 HZVRNPMFYQKDRW-IZRJCCQOSA-N 434.581 0.823 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833427856 WQRGJHUNEFATAX-UHFFFAOYSA-N 437.544 0.796 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834128566 JPLDURZEUJGYMZ-VGSWGCGISA-N 433.505 0.733 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccn5c(O)nnc45)CC3)CC2)CC1 1834599865 VBUPWUKRPBMMDQ-UHFFFAOYSA-N 437.504 0.924 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835645905 MNAWCSJKHQMBLB-GOSISDBHSA-N 435.525 0.316 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=C)CC(=O)OCC)CC2)CC1 1835832674 OYNPGBAKDNGYGX-QGZVFWFLSA-N 448.564 0.758 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccccc3C)CCO2)C1 1835862324 LDLBUIONSNAHHC-WMZHIEFXSA-N 429.517 0.902 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836872228 YRZDLYRWBLKWMU-JTSKRJEESA-N 443.504 0.372 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022273 HOWYZDXBVDPBRC-HXOBKFHXSA-N 438.484 0.738 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)cc1 1837252572 DXZOUKFSVBXYOW-YLNCNTMDSA-N 438.484 0.463 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837279450 PLTIUNYSOCJRSZ-UGTOYMOASA-N 435.565 0.766 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837301039 UMSYTLDJEJRAQN-FCHUYYIVSA-N 427.457 0.591 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1837398755 HGLDBRUBDPFCEA-HYFFOGBASA-N 447.536 0.307 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908945 CTDZIOPHASHVNI-NZQKXSOJSA-N 442.516 0.933 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)cc1 1838951945 QGWBENXMJLRDHO-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622843 YBZVDBLNRDMQFT-MGPUTAFESA-N 437.566 0.107 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1)C(F)(F)F 1839891422 FAPWVIOBBGJBLV-INIZCTEOSA-N 440.440 0.468 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840169612 NRQZHKVHAZLVBN-DEOSSOPVSA-N 440.544 0.643 30 20 ICED CC(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818321 WEVNXRXMBGFIOM-JOCHJYFZSA-N 431.489 0.818 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)C(=O)OCC)CCO2)C1 1840884916 BONOYSJDSQDZMW-OPAMFIHVSA-N 440.537 0.605 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1845201071 RJQNWJFPEHZYLC-BBWFWOEESA-N 436.553 0.772 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1846413207 BMZHTACGARZRDW-KRWDZBQOSA-N 438.484 0.644 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)CC2=O)c1 1847217212 RROQTDLNQLIMFE-JLSDUUJJSA-N 425.441 0.338 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 430405992 SSMATHMTYBHASN-BQFCYCMXSA-N 435.525 0.909 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 435151919 NSROMCANJOBMDT-UHFFFAOYSA-N 428.468 1.391 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCOC2)c1=O 441948730 MMZHDCFNRVDHLV-LBPRGKRZSA-N 431.539 0.798 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cn1 460812011 CNQREEBTKKVDKH-UHFFFAOYSA-N 443.489 0.150 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 461765928 GGHGAXDJXIQOPW-AWEZNQCLSA-N 435.893 1.371 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 475614261 XMUNVHBUTDAYLQ-OKILXGFUSA-N 440.460 0.976 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480153604 GCMWRQGLSYQWKE-UHFFFAOYSA-N 429.498 0.737 30 20 ICED C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 485856423 DGHSVKORDWMQNV-INIZCTEOSA-N 449.577 0.626 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489147553 KUHXAUSKMJXFRI-UHFFFAOYSA-N 429.498 0.372 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 490093518 PHHJTYNFSMSQGI-HNNXBMFYSA-N 427.505 0.352 30 20 ICED CCc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502049163 ZCQSTOXBPOTKNA-UHFFFAOYSA-N 449.536 0.557 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508464214 LASDVDJHNAUYJV-SFHVURJKSA-N 449.581 0.957 30 20 ICED N#CC1(NC(=O)CN2CCN(CC(=O)NC3(C#N)CCCCC3)CC(O)C2)CCCCC1 533868231 VNQQUOVNTHXKBE-UHFFFAOYSA-N 444.580 0.650 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)c1C 534926674 IXJJNRBGFPPDBD-QFIPXVFZSA-N 440.504 0.499 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Br)cc1 541286304 HFOAEJLEQJSBQK-UHFFFAOYSA-N 444.314 0.644 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544692716 BMRWRTVLNAVAOS-UHFFFAOYSA-N 442.493 0.538 30 20 ICED N#Cc1ncn(CCNC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)n1 558268300 RUBOUZFSHKTPKF-UHFFFAOYSA-N 426.481 0.645 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@@H](C(C)C)C1 559003429 IBSSBBURMGVWKM-SJORKVTESA-N 426.587 0.964 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@@H]2C)O1 564065724 BPPKLYNTYDLBLP-VCNKVWKBSA-N 440.500 0.965 30 20 ICED CCc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)ncn1 574311871 CXKKZBFQXWYCNV-UHFFFAOYSA-N 448.531 0.739 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C2CC2)c1=O 582314176 KUZADEHWSJIZGM-HNNXBMFYSA-N 442.541 0.976 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 585779424 BNTLLTWINUKFRQ-UHFFFAOYSA-N 428.489 0.684 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)CC2)nc1 587665291 MYGIVFHSZSINOF-UHFFFAOYSA-N 438.467 0.316 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)[C@@H](C)C2)cc1 588125718 JENBEJYZRNRDBR-INIZCTEOSA-N 427.505 0.614 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C#N)C1 590485316 LEKXEJXXSFPRBS-AWEZNQCLSA-N 428.308 0.964 30 20 ICED CC(C)(CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)NS(C)(=O)=O 609468053 KMGPRZSRFKOFBS-UHFFFAOYSA-N 436.494 0.966 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 675600215 JALCWVPVNNZIHH-OAHLLOKOSA-N 428.449 0.428 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 725763938 BCOBMGFOVFYRSB-UHFFFAOYSA-N 443.573 0.859 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 729672773 HULOEDFMTBGCJH-UHFFFAOYSA-N 433.511 0.006 30 20 ICED CCS(=O)(=O)NCCOC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731690081 AXDNJZIMVAWICX-AWEZNQCLSA-N 431.536 0.622 30 20 ICED CS(=O)(=O)CCS(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 742277448 ZGUUFBBEEJCDCH-UHFFFAOYSA-N 429.499 0.362 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742539380 QGXONURKKMSCJM-ZIAGYGMSSA-N 442.563 0.292 30 20 ICED C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 743493527 XMEUBWXWZNRXHA-UHFFFAOYSA-N 448.589 0.991 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1nc(N)nc(Nc2ccccc2)n1 744026259 LSACNEBPPNULTI-LMHBHQSJSA-N 447.455 0.926 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 745306946 DOERDEZYOSCUAM-CYBMUJFWSA-N 436.490 0.791 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 747993336 GNPSFNNRYQBMLH-UHFFFAOYSA-N 446.529 0.398 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 749375433 GHMDCUWYEWNVDO-FQEVSTJZSA-N 427.480 0.248 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 757059431 FMLTYEBKFFJNTK-AWEZNQCLSA-N 439.501 0.466 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758075639 LHZHUSLFLGETNB-UHFFFAOYSA-N 440.506 0.530 30 20 ICED C[C@@H]1CC(=NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)NO1 760486688 MAVBLLWMKRESBA-KOLCDFICSA-N 436.412 0.856 30 20 ICED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)o1 760572930 SWUCSFSOVOMFDJ-ACCUITESSA-N 448.251 0.633 30 20 ICED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 766566984 UBWMYGRVYAGMST-VABVJXKHSA-N 438.506 0.046 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3ccccn3)c2=O)cn1 772302009 HAGVSLIIIDYRCH-UHFFFAOYSA-N 446.536 0.970 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cn1 772302399 IMEDXTOCZPFSAE-UHFFFAOYSA-N 432.509 0.626 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(S(=O)(=O)CCO)cc1 773916242 WCBYEOWBFSGIAC-UHFFFAOYSA-N 437.499 0.520 30 20 ICED CN(Cc1nccn1C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782968097 XRDILJRUMPXHIY-CJLVFECKSA-N 432.506 0.830 30 20 ICED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783939273 HRFKKDPGXAAGNV-LBPRGKRZSA-N 429.449 0.718 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CC(F)F)C1CCS(=O)(=O)CC1 785565202 GXOKZRHRZIXKGV-UHFFFAOYSA-N 435.474 0.396 30 20 ICED COc1cc(OC)c(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 790097244 ICAQFLCMGAWOEA-UHFFFAOYSA-N 439.472 0.944 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](C#N)C1 793615918 BNFRRPJWUQOYAY-VBKZILBWSA-N 449.508 0.573 30 20 ICED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCCO1 809304176 GEUKBOKKMDAKSC-FHWLQOOXSA-N 429.473 0.565 30 20 ICED CC#CCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 810777491 HKAOZHBAKLAOSM-UHFFFAOYSA-N 426.520 0.226 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917779887 OALQWQRIBKCLHK-UHFFFAOYSA-N 433.493 0.266 30 20 ICED CN1CCn2c(CN(C)C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nnc2C1=O 1155167647 NMJKMPMDJLUXEM-ZDUSSCGKSA-N 441.879 0.900 30 20 ICED CC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1291372773 GMQOYWYPBZHVLH-QFBILLFUSA-N 440.570 0.902 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCC(=O)N(C)C 1303849325 MDKVAIKVPADDJH-KBXCAEBGSA-N 425.559 0.887 30 20 ICED CC(=O)N1CCN(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)CC1 1307374566 ZAAABDYQSNKLIB-UHFFFAOYSA-N 433.512 0.969 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1318812087 RUEYBYAOMOMZAJ-LBPRGKRZSA-N 437.503 0.310 30 20 ICED CCN(CCC#N)C(=O)Cn1c(=O)c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 1319116061 WWNWDXSKYCIPLN-UHFFFAOYSA-N 435.506 0.196 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1OCC(=O)N1CCOCC1 1322310946 MTPDXZRTFHBNCB-MRCUWXFGSA-N 428.445 0.779 30 20 ICED CC(C)(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 1342578622 GUCPPKCZOJMUAC-LBPRGKRZSA-N 426.520 0.636 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nnc2n1CCC2 1360666705 SOGKDZBOOKENAV-CYBMUJFWSA-N 433.542 0.604 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1504888415 QKGLAWQBGQMZTH-PWFNWSNSSA-N 429.568 0.458 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1555558446 UOVARCPRTXDGPG-CQSZACIVSA-N 445.567 0.124 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1611687253 UUBFXWSIAPNTNG-JQFCIGGWSA-N 445.590 0.768 30 20 ICED CC(=O)N[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1633550619 VEUXFUGIUXPWHG-AWEZNQCLSA-N 434.250 0.577 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741988742 SOSYLPUFBIWKNV-RBUKOAKNSA-N 436.538 0.080 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1745791992 LDEFCJUNRCJTFV-OAHLLOKOSA-N 432.506 0.604 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778088532 RBLFHWSHFXCGAX-OXQOHEQNSA-N 440.566 0.476 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1778967072 BWMAJUAFZKNLAQ-BZNIZROVSA-N 440.390 0.745 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1779064229 BPTLTXQYHYJYHO-REWPJTCUSA-N 426.517 0.610 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136031 CVKAGHAHGSKCRV-ZINIUXRHSA-N 431.518 0.555 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779395333 RCYHVWUNXHGNAP-NJNPRVFISA-N 431.533 0.478 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779446623 YDEHUXBYORLQBG-SFRQHRMHSA-N 428.493 0.894 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780779565 LMDZFCFZLNIJHE-GCKMJXCFSA-N 438.525 0.690 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1780802718 HRWKPYHFLWGNQA-LUQKVYGDSA-N 435.525 0.909 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(C#N)c1 1781176282 ZBXUTYAXOYJEQG-ZHRRBRCNSA-N 438.488 0.792 30 20 ICED COc1ccc(OCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782009765 ZCGZYFGMNFHYIQ-XMSQKQJNSA-N 430.457 0.676 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782547044 PPKKRFGTSJQMBS-QJKPHDSHSA-N 441.463 0.775 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1)C(F)(F)F 1783205664 ZQOFENLNVYGEJR-INIZCTEOSA-N 439.456 0.360 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)C(F)(F)F 1783210874 JZQRROXGFVKZTF-QGZVFWFLSA-N 444.366 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21 1783530664 PWLIBQCTIXXAJE-HYGDWFSYSA-N 437.500 0.786 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)cn1 1786702246 NOLBTJKMURRFLR-SZMVWBNQSA-N 434.518 0.523 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1)C(=O)O 1787512545 LNWMTGZVWZJWJX-MWDSRFMCSA-N 449.529 0.529 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc[n+]([O-])cc1 1789096478 OUCNTZPQURALLM-OQXDRWNPSA-N 432.477 0.442 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)c1 1789346184 JDIHHWXBJJLCOP-DZKIICNBSA-N 426.433 0.054 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1789891340 PBBLCSVSXQVANH-DOCOLBGOSA-N 433.505 0.310 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794865985 JQEKBMJTDLISAW-ZMMAXQRCSA-N 447.536 0.942 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795597651 RDCXWINYQACUHG-MDMSPXHWSA-N 434.537 0.447 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1cccc1C=O 1795747567 BJCOHBAKVPZNAX-BMFAXAFESA-N 429.521 0.733 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797892551 BCKVPVAJAWIRMJ-MMNGHLNQSA-N 445.516 0.615 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797909298 YNRRGDHFUKTFGY-SFNKJDCFSA-N 446.548 0.450 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1798263493 ZMDOVSQKFRNIIE-MDUKNCKQSA-N 445.520 0.880 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1800188910 MEWABDWTINNMHZ-IZZQQSIFSA-N 429.546 0.440 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1800980686 CUDPXNILTVEBOA-NTNQKNOYSA-N 445.541 0.510 30 20 ICED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801300184 VKKHZNBXEFQXHS-XCKOJJSUSA-N 438.510 0.015 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1801991931 KJWANHLRWOXBSJ-VPTLXERWSA-N 425.441 0.926 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1806911280 LWPJMQWKHLVAQM-KJXAQDMKSA-N 441.576 0.763 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)CN)[C@H]1c1cccnc1 1807046115 SNGNOLDJXIUHQX-JENIJYKNSA-N 429.521 0.963 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1808451214 AEEJFCPJMAFCST-ZWOKBUDYSA-N 428.489 0.733 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1808835844 BVUVCDIYRJGFMH-SIXWZSSISA-N 444.492 0.440 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2ON=C(c3ccccc3)O2)[C@H]1c1cccnc1 1810166480 SCDHBZHTWVPCCT-HCLVMJGWSA-N 448.435 0.910 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812342845 GBWPVNMDFCCFOF-LQWHRVPQSA-N 439.516 0.917 30 20 ICED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)n1cnnn1 1813470810 ZVWIHFHADQAOPZ-BPQIPLTHSA-N 439.524 0.617 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814189196 BTKGLPDAGMOOKX-UGSOOPFHSA-N 446.510 0.036 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCc2nc(N)n[nH]2)CC3)c1 1821603085 IGRHEYLMFUFDDK-JTQLQIEISA-N 425.478 0.902 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=O)c1cccs1)CC2 1825664027 OUDIORBYHSJBQC-JTQLQIEISA-N 432.483 0.635 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)no1 1825665292 BIAWYAWQTSGYOG-SNVBAGLBSA-N 431.430 0.468 30 20 ICED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1829938877 KERPKUIBXCZDBN-QFIPXVFZSA-N 441.488 0.930 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CN1 1829949071 SDFBNXYFFWOKAI-XXBNENTESA-N 425.485 0.021 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1830054135 GHXYVXYPPPQWLC-JOCHJYFZSA-N 429.473 0.964 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458788 GXLDRDQTZSBCJG-NZQKXSOJSA-N 428.533 0.945 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830877765 OARWOGWWJVTHKU-RBBKRZOGSA-N 431.489 0.410 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831597012 ZKEZKAVPXFNMAD-OPAMFIHVSA-N 428.489 0.069 30 20 ICED CC#C[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)c1ccc(O)cc1 1833223518 SRYSBIMFGCQISP-SFHVURJKSA-N 443.544 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(C(C)C)n1)CCO2 1833338931 BKDVBYKPKJISQN-QJKPHDSHSA-N 446.504 0.726 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1834446221 XCRUVLBPDFZLCZ-JOCHJYFZSA-N 430.505 0.189 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1834569170 ROXAPIVFJCSKCG-UHFFFAOYSA-N 446.573 0.717 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835047560 LZHLVFCOLJGISA-UZLBHIALSA-N 447.605 0.623 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835267398 JXFGYTIUKYZGEE-QFIPXVFZSA-N 433.480 0.857 30 20 ICED COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339455 NLPYWGZKGOWKPL-QFIPXVFZSA-N 429.473 0.834 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(-n5cncn5)c4)C3)C2)CC1 1835346244 XMEKYEQLZNBNKX-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2 1835599181 HFFPBRLCTCEKFT-KLHJMIIUSA-N 425.526 0.326 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835642844 SYVNLFPCOJGJAZ-KXBFYZLASA-N 440.541 0.214 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1835990581 XQIREDUFOIZDRT-NRFANRHFSA-N 426.477 0.323 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169224 AGYMXSLKLFJDLP-FQEVSTJZSA-N 444.536 0.223 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836304946 RQYFAOGWBBRFEI-FQEVSTJZSA-N 428.424 0.508 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1836843824 VRGDSLHUICFISB-OAHLLOKOSA-N 440.566 0.617 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971798 HQKKUDGIIPQIRV-IERDGZPVSA-N 449.508 0.537 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1837392274 AAYRSODSQRTEGX-GCJKJVERSA-N 434.537 0.301 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838107587 AACCSLSXPVCVGB-OAQYLSRUSA-N 442.428 0.644 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838737251 MJGROAIIXFUSNK-OAQYLSRUSA-N 435.444 0.313 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826419 DTEHCNYOVYXVTG-FQEVSTJZSA-N 448.480 0.275 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839352137 WLKBANQCNJRSFD-OPAMFIHVSA-N 446.504 0.656 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419498 DVHZPWBQFQHPBR-QKKBWIMNSA-N 432.452 0.279 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1839420613 UAAHTJPWDGUNCA-IBGZPJMESA-N 435.481 0.394 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1)C(F)(F)F 1839892006 NASAIOBNUJFDJN-KRWDZBQOSA-N 448.373 0.971 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1839895057 HATNXKKANLZQPE-QFIPXVFZSA-N 441.484 0.510 30 20 ICED C[C@H](S)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1846370108 WOKNMKSAWPQRRS-NSHDSACASA-N 436.559 0.363 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCSC 443548552 FSUJDMSEVHTJSK-UHFFFAOYSA-N 447.582 0.685 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 446451916 WXGAUJOAQYPONT-QGZVFWFLSA-N 434.562 0.920 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 475408784 VCFQRKGIAZSGCX-BMIGLBTASA-N 427.280 0.977 30 20 ICED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480278267 YYEZFPWKPCUMJH-WBVHZDCISA-N 441.531 0.536 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 480520577 BSIRAJLLYSEILB-LBPRGKRZSA-N 448.530 0.954 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 483520362 LKLXSXPIWZKWRK-UHFFFAOYSA-N 427.486 0.801 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 489188138 LTMCFEBXDAPFSD-KRWDZBQOSA-N 444.517 0.186 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3cc(C#N)c(Br)cn3)cnc21 494388137 WJCHQLSASQEYRU-UHFFFAOYSA-N 437.235 0.864 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)C1=O 499080869 ZSCUOELRSAVMAE-UHFFFAOYSA-N 441.532 0.990 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502050100 JDGKBYIGNLUFQS-OAHLLOKOSA-N 447.586 0.195 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)n(C)c1=O 505656319 BTZCSYBRKQWBNX-UHFFFAOYSA-N 425.436 0.545 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 507410307 XRUZQHQQHTUNGH-KRWDZBQOSA-N 432.477 0.618 30 20 ICED N#C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@]12C(=O)Nc1ccccc12 513986103 WLHMYXRUWPPEAH-QRQCRPRQSA-N 435.488 0.826 30 20 ICED N#Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 515711183 KIMACYAWVKINEH-UHFFFAOYSA-N 434.562 0.939 30 20 ICED N#Cc1cncc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 516610631 YMKINEZFHXZXAB-UHFFFAOYSA-N 426.451 0.914 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 518009424 JEXFWHPGBCHDKQ-FMKPAKJESA-N 436.490 0.174 30 20 ICED COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 547714497 UGKSCMTWVFYMAK-UHFFFAOYSA-N 434.478 0.563 30 20 ICED C[C@H](O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C 561788304 OURFIDYKCJQJLA-SOLBZPMBSA-N 431.512 0.696 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)c1 573039778 BRMCYOSHZDHNGH-MOPGFXCFSA-N 426.521 0.096 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 574591065 DSVWTIHIBRQFQS-SFHVURJKSA-N 447.605 0.523 30 20 ICED N#Cc1cncc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 580380499 NCNPTTXVJBEIMB-UHFFFAOYSA-N 427.430 0.093 30 20 ICED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 588008900 BXKNXWGDQWVJDZ-UONOGXRCSA-N 426.420 0.804 30 20 ICED Cc1cc2c(N3CCN(C(=O)C(=O)NC4CCN(CC#N)CC4)CC3)ncnc2s1 588126279 HQXXTOUBVIUZEM-UHFFFAOYSA-N 427.534 0.753 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CC1 590998893 SRNRGBITSZAXQG-UHFFFAOYSA-N 442.516 0.335 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 603923102 OBPFWNMPJWFJCC-UHFFFAOYSA-N 446.960 0.535 30 20 ICED COCCN(CCC#N)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 610492020 SWBUVYASXGKLEL-UHFFFAOYSA-N 425.507 0.647 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610807138 AOKSAYFIYZXNJS-ZBFHGGJFSA-N 441.513 0.719 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 612221514 QMDYCIFCVDMMNF-GOSISDBHSA-N 441.513 0.770 30 20 ICED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 619708035 VVQWHXWPNLHAJO-UHFFFAOYSA-N 440.469 0.433 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccccn2)C1=O 726403484 KLXSNULKNDDJNJ-LTUQMTLXSA-N 447.542 0.865 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)CC1 728530666 LPADFDBHNNTXIL-UHFFFAOYSA-N 435.546 0.533 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 729256524 UAQGXRGYKKNERY-KRWDZBQOSA-N 432.468 0.875 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 729282034 VWNWYHLYFZCDNX-UHFFFAOYSA-N 435.322 0.463 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC2CC2)cn1 730724068 NHHAUNCEFQPQHD-CQSZACIVSA-N 442.505 0.932 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 733149865 VGWDGYBSXILWPE-UHFFFAOYSA-N 431.514 0.875 30 20 ICED Cc1noc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 737269225 SZBYMRDHXVQWJG-HZHRSRAPSA-N 434.478 0.488 30 20 ICED C[C@@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 742700180 QEGNGAJQZBIRLH-LBPRGKRZSA-N 439.519 0.384 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1 746788528 DXTKZPRITULGKN-BXDHAIISSA-N 435.506 0.223 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCS1(=O)=O 747202475 YQISURPEOGFTME-OAHLLOKOSA-N 442.563 0.436 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 749667841 ZQNBFUNVJPMIQT-QGZVFWFLSA-N 429.521 0.297 30 20 ICED CCOCCNC(=O)CON=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 753171714 OLRSISSOADLWQY-UHFFFAOYSA-N 440.522 0.955 30 20 ICED CNc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 756215831 XZLYVKIMFOHYFP-UHFFFAOYSA-N 449.514 0.746 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 756451651 IORUKGQRRBRJOO-OAHLLOKOSA-N 433.490 0.885 30 20 ICED CC(=NNc1ccc(C(N)=O)nn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 756844384 NYBNHCFPWRSEBV-UHFFFAOYSA-N 426.480 0.137 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756888595 BWLODLDOFRDYMD-MCIONIFRSA-N 434.584 0.923 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[nH]c21 756891628 GGJPIBVGLWZUJD-GHMZBOCLSA-N 431.453 0.170 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 758059845 VJXZOFAKNFUIPR-GFCCVEGCSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758069674 RFQQMEUWXOGABX-UHFFFAOYSA-N 425.510 0.516 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 764298940 NRQXZIMJAGMDFL-VDVBZYJVSA-N 449.489 0.101 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2=O)cn1 772279347 WHQPEFNMHUJWNB-UHFFFAOYSA-N 435.465 0.657 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3cncc(Cl)n3)CC2)c1=O 777553950 UEUYKKRZFYDAMU-UHFFFAOYSA-N 434.884 0.488 30 20 ICED Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 778767992 FYCVLOICTSDOPA-QGZVFWFLSA-N 433.424 0.856 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c1=O 795198319 VJIBTIGMFAIMEP-UHFFFAOYSA-N 436.559 0.115 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)C1 807546291 RYOHGGHJWHLGBJ-INIZCTEOSA-N 431.497 0.499 30 20 ICED C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812395190 NTFRFXDOBCXXDP-DOTOQJQBSA-N 437.566 0.860 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)[C@@H]2C1 815704439 GZTFFZOKNPRRGV-FVAKZZOYSA-N 433.534 0.600 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccs1 839326684 IRMPFUGHMNANIW-UHFFFAOYSA-N 443.554 0.409 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 918775589 QBFDRMGWIYOEJD-RHSMWYFYSA-N 437.474 0.518 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919539621 UCHOHFVTMSKYMM-UHFFFAOYSA-N 430.442 0.806 30 20 ICED N#CCOc1ccccc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 920413304 NMIXVDNYTYJNEP-HOTGVXAUSA-N 436.486 0.940 30 20 ICED COc1ccc(Br)cc1C[C@@H](CO)CNc1c(C#N)c(=O)n(C)c(=O)n1C 1163299294 QOHFALVYCKIVHM-LLVKDONJSA-N 437.294 0.990 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297777106 HSROJFRFEPTVHR-MRXNPFEDSA-N 433.538 0.962 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1359652950 YJVGNEYAYRHSQT-QGTPRVQTSA-N 444.533 0.460 30 20 ICED COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518957914 WKMUGYHFDMWXDZ-UTKZUKDTSA-N 431.541 0.478 30 20 ICED CN1C(=O)C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1641034305 YUFFOFMZQPNXKR-WBMJQRKESA-N 433.827 0.949 30 20 ICED 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433.465 0.458 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781049842 VFPXXQRRSIOJPE-FAYLSGKYSA-N 431.555 0.662 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1781095116 LDDJCQSGHLFUGY-NTKDMRAZSA-N 439.560 0.946 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444896 QFFGLACNZWVAJG-XSLAGTTESA-N 427.567 0.488 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1784509061 IXEFEZYXQQNEQT-ZZAWEDPDSA-N 430.553 0.881 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1785014809 RVIHSAHXHYEZNX-BLDNINTCSA-N 440.591 0.688 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1785378770 PLSLCWMAVAMHAJ-HSZRJFAPSA-N 442.516 0.489 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5cncn5)[C@H]4C3)c2c1 1787088190 DTLAXUAKVDMWES-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED 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439.509 0.541 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831387198 MAYIYCFELIWUTP-FOIQADDNSA-N 436.534 0.274 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831413834 JYAWFPVVLKOHST-NRFANRHFSA-N 434.493 0.295 30 20 ICED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831481075 DPJDUODOVQJECI-OAQYLSRUSA-N 439.597 0.876 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)cc1 1833159812 QYRVHJUGEKNODU-HSZRJFAPSA-N 435.484 0.590 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C)n(C)n3)CC2)CC1 1834171336 AJJOXDKJOXQWDJ-WAYWQWQTSA-N 442.564 0.772 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834739469 BRPQHKUKJFQDEP-MRXNPFEDSA-N 430.496 0.832 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835121875 HDLLXRUFCKCTJU-KRWDZBQOSA-N 448.612 0.707 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CSCSC1 1835344652 OIJHPHWFJZXGSR-HNAYVOBHSA-N 440.591 0.790 30 20 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839222816 BOJMSJPPCJHXPU-XOKHGSTOSA-N 439.431 0.557 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839224886 RCEMBWWPOSOSPH-GUYCJALGSA-N 435.424 0.354 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839410186 PDXAGCJMAWPVBJ-QKKBWIMNSA-N 438.427 0.779 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062588 WLPBYZZHFLIUEW-DUYDGHCJSA-N 431.493 0.329 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840161094 DJRZCJNFOBJDTQ-FKIZINRSSA-N 433.486 0.210 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(O)c1OC 1840163492 IYOBWRSKIYQFCJ-XCLFUZPHSA-N 440.518 0.798 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840234317 WPMNBHUWQGUEBR-FDDCHVKYSA-N 440.500 0.463 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4ncccn4)C3)C2)CCC1 1840812629 BOYKBUVZRBXVNC-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840840403 QRQSYOMNPONXMX-FDDCHVKYSA-N 431.533 0.647 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1841601197 LHVWGASBSZJJNT-IBGZPJMESA-N 440.537 0.314 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1841746654 WYYKNIZWWRXVQI-OAHLLOKOSA-N 434.541 0.499 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)c(C(F)(F)F)n1 1846459963 NCLSXOYWQCVNMW-UHFFFAOYSA-N 447.373 0.714 30 20 ICED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27105391 HSABXLZWRSAKJM-HUUCEWRRSA-N 447.517 0.962 30 20 ICED N#CCCn1ncc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1-c1ccccc1 430644582 ZDLZPQVMPUAYAI-MOPGFXCFSA-N 443.529 0.379 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 437336085 ITTXVIULHMQQIV-CYBMUJFWSA-N 436.881 0.615 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-c3ccncc3)c2)c1=O 440394737 WEXXXSJVWRGUSO-UHFFFAOYSA-N 432.505 0.871 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 441952320 IZBQGKNPQBOCQO-MRXNPFEDSA-N 443.500 0.447 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 461068170 YYTQOHUPBDLWNS-VQIMIIECSA-N 444.561 0.940 30 20 ICED COCCN1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 477629675 ZPOIYQQFMLOIGA-UHFFFAOYSA-N 427.549 0.820 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 482834982 CFACNIVQHQPUDH-ADBDHWBDSA-N 442.497 0.148 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 483056219 NPZGNGUWQHMRFD-UHFFFAOYSA-N 438.527 0.847 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1 486493217 AWBCRYLGWALQMG-KRWDZBQOSA-N 438.488 0.823 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 491157344 WPGOMMXJQBZWJA-UHFFFAOYSA-N 441.532 0.698 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)CC1 491323308 NNVOIEOBRRMDRM-UHFFFAOYSA-N 438.550 0.707 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1=O 499805126 ATYQADJYQQDNHJ-PCMMCCAGSA-N 425.445 0.205 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCCC(=O)OC 501777388 QMLYBCVORZYTJA-UHFFFAOYSA-N 435.527 0.190 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 505584891 JHQVALIMXAQMOI-LJQANCHMSA-N 449.467 0.573 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)(C)CN(C)C 505699364 HYZTTXXZALMDIR-UHFFFAOYSA-N 442.589 0.345 30 20 ICED COc1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 507430204 APVIAHUDJRDTKW-UHFFFAOYSA-N 444.517 0.684 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 508887026 GPELZJSNESMCIP-CYBMUJFWSA-N 432.506 0.807 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCN1Cc1ccccc1 512610873 FTPLOFRBWICFLG-WOJBJXKFSA-N 449.577 0.894 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCOC1 512724271 BBXPZSNAJXTNKH-HNNXBMFYSA-N 429.546 0.582 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)c1 516407659 KXAIMWARFXSZFI-UHFFFAOYSA-N 448.483 0.713 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C3CC3)c2=O)cs1 517984832 HAGULOYHTCCLTO-UHFFFAOYSA-N 443.598 0.931 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 524281961 IKLQQRDVORUZGM-UHFFFAOYSA-N 439.324 0.731 30 20 ICED COc1ccc2nc(C=c3sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c3=O)sc2c1 530489071 NAFVGOYJUREOGH-UHFFFAOYSA-N 442.522 0.742 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)CC2)c1C#N 530522591 AFEMSAULTVOANW-UHFFFAOYSA-N 434.460 0.708 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc4c3OCO4)CC2)cc1 541156786 YRRNONAURZFYCB-UHFFFAOYSA-N 442.453 0.759 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CCN1Cc1ccccc1 550926871 RCFWPRRKVAAZAW-NRFANRHFSA-N 448.527 0.771 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2)o1 555531252 XOAOJGZUZYCSSQ-UHFFFAOYSA-N 433.494 0.327 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)c1C#N 564262164 YUIDPENQDMGTQZ-UHFFFAOYSA-N 437.489 0.895 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 564314205 HBWOKHLYKIQQNV-WMZOPIPTSA-N 439.534 0.325 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 570033488 XDRYPSIOXQDVNM-MJGOQNOKSA-N 436.459 0.357 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)cc1 571913673 OPGKUTASEHOVRW-UHFFFAOYSA-N 433.516 0.778 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 576299274 QAONJNIKFMENMC-UHFFFAOYSA-N 448.531 0.065 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1=O 577763159 IUVWFVNYPKWYNJ-LJQANCHMSA-N 447.580 0.072 30 20 ICED CN(CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 584075032 OVZKZBAEIHVDCZ-FQEVSTJZSA-N 441.532 0.475 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 586813412 LVNQDMPCZYNOSK-UHFFFAOYSA-N 429.521 0.118 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCC(=O)N3CCCCCC3)CC2)nc1 586850122 IHHJILDTXJDNSE-UHFFFAOYSA-N 426.521 0.947 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3C(=O)NN=C3C)nnc12 603887521 RXRIOFRWDVSHHL-CYBMUJFWSA-N 439.501 0.951 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(N)=O 608910928 YEDYBYZJPGMMNA-UHFFFAOYSA-N 446.554 0.155 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612849960 RKTLGMVHEIXFNW-UHFFFAOYSA-N 428.474 0.149 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 615254688 NPLNETUDGDZCSZ-UHFFFAOYSA-N 438.506 0.807 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 615311539 OOCNYRWOISVKDM-QGZVFWFLSA-N 429.521 0.807 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538661 JWHCGGTXKDDQHU-UHFFFAOYSA-N 446.488 0.847 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 728533096 ADBFTWWVZWEORD-FGTMMUONSA-N 448.589 0.177 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCS(C)(=O)=O 729673160 FYITYOBLFMTIEK-UHFFFAOYSA-N 445.566 0.322 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CCCOCC(F)(F)F)CC1 732466228 NSNHGFLFBPKFPR-NXVVXOECSA-N 433.431 0.809 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc2ncccc2c1 732908838 SVKZFDIXCQXXPV-INIZCTEOSA-N 438.469 0.703 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1F 734468017 NUKUPXYJKAKFRE-QGZVFWFLSA-N 440.541 0.426 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 748980650 PLRPDHVGNDZXHV-UHFFFAOYSA-N 426.267 0.888 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755641702 QARIXRVUNLNHMX-OAHLLOKOSA-N 433.513 0.770 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758779389 UWGHLLOQYFNRGS-LSDHHAIUSA-N 436.513 0.124 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(C)c3Br)CC2)o1 759638793 SHEMDFJAIGXPQH-UHFFFAOYSA-N 437.254 0.856 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CCCC3)s2)c1=O 767883221 XFNLPOCYAWGCCT-UHFFFAOYSA-N 430.555 0.923 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768417997 POXDXCAJDLPCKW-OAHLLOKOSA-N 447.569 0.621 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 769643017 WJGRYHLSHWSACM-UHFFFAOYSA-N 431.426 0.425 30 20 ICED C=CCNC(=O)Cc1noc(-c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 770988513 XAXSOEFEYRHHQZ-CYBMUJFWSA-N 432.458 0.905 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nc(N)c3c(C)c(C(=O)OCC)sc3n2)CC1 772183348 PBGXSHMWLVKLIT-UHFFFAOYSA-N 430.534 0.626 30 20 ICED Cn1c(N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 775543053 WXQYFAIVVAKHPN-CQSZACIVSA-N 448.524 0.346 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(Cc2ccccn2)C1=O 784209317 WHZXSENXIKOVOJ-INIZCTEOSA-N 427.486 0.428 30 20 ICED COC(=O)[C@H](CSCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)NC(C)=O 790012449 UMQAIIWDDRXYSE-ROUUACIJSA-N 436.509 0.945 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(Cc3ccccc3)c2Cl)c1=O 790110943 FARIYESJZGJOGR-UHFFFAOYSA-N 437.912 0.690 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(S(C)(=O)=O)CC1 793992114 MPZLPYHYYSUNQD-AWEZNQCLSA-N 427.548 0.977 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 807051149 VJYPAPFXIGRLJM-HZHRSRAPSA-N 435.506 0.352 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@H](C)C1 807319148 UFCDVTLBXLNIBI-JOJWKMGHSA-N 435.550 0.991 30 20 ICED COC[C@H](C)[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812622413 HBKXZZSPEHZUIP-JKSUJKDBSA-N 437.518 0.853 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1C#N 912860967 QMASGDJWSAPFHQ-WDZFZDKYSA-N 425.474 0.354 30 20 ICED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 916943827 ZLNOZSMYYCNLQZ-HNNXBMFYSA-N 449.423 0.770 30 20 ICED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1NS(C)(=O)=O 918091777 DZBOKSGJSIWDES-LBPRGKRZSA-N 436.515 0.974 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1=O 920071359 FCUAHAHLXVWESO-UHFFFAOYSA-N 448.480 0.735 30 20 ICED C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1116567973 KYVWDRWBTHOWCZ-INIZCTEOSA-N 426.491 0.954 30 20 ICED COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1117350389 YPVZPBCIINXPKW-SJORKVTESA-N 434.518 0.322 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286620806 SZIJZJUCPWMILD-GJZGRUSLSA-N 432.978 0.799 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(c4ccccc4)CNC(=O)C3)CC2)cc1 1290636241 JRNKNNQEJRVIAB-QFIPXVFZSA-N 438.509 0.849 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1315610558 ZHCDDNHZKGWIQM-AUUYWEPGSA-N 433.490 0.232 30 20 ICED COCCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316101848 OPOOOBKXOFJXHK-IBGZPJMESA-N 425.555 0.927 30 20 ICED Cc1c(NC(=O)[C@H](C)SCC(=O)NCC(=O)NCC#N)c(=O)n(-c2ccccc2)n1C 1323227350 UQMBZMSINWLHFU-AWEZNQCLSA-N 444.517 0.301 30 20 ICED C#CCNC(=O)c1cccc(-c2noc([C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n2)c1 1325464428 WPKOWBKRDPEDEH-JKSUJKDBSA-N 428.470 0.603 30 20 ICED Cc1cc(O)nc(N2CCC(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1472023774 OFKWKYPZZVJFLV-UHFFFAOYSA-N 444.517 0.704 30 20 ICED CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1516356429 ULNTTYRLILPQLR-UKRRQHHQSA-N 435.510 0.459 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1541908013 IJPQYBQMBDFDOB-QWHCGFSZSA-N 432.572 0.594 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593908321 IXPBUQFYJIPNQJ-UHFFFAOYSA-N 437.932 0.727 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620347443 UYRHKXXLFOZJDC-JKIFEVAISA-N 445.542 0.447 30 20 ICED N#Cc1cccc(CNC(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1620451236 VRFNKECNGQTTMY-UHFFFAOYSA-N 441.557 0.771 30 20 ICED Cc1c(Br)c(C)n(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c(=O)c1C#N 1641514120 XKLMVJZRYNFCEG-NSHDSACASA-N 433.266 0.956 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1 1643737986 IXLFUBCNHQMUEE-RDTXWAMCSA-N 431.470 0.962 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1708757278 MGIZBAHMRYFJGV-INIZCTEOSA-N 438.554 0.750 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1723934327 JHBVEJAGXGLINJ-XEZPLFJOSA-N 448.546 0.155 30 20 ICED CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1728189105 SRYSJNIQSAJVRQ-MRXNPFEDSA-N 446.533 0.994 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1729309141 YQAQRMUHQDTERK-KRWDZBQOSA-N 446.533 0.830 30 20 ICED COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1749337097 IPZZSWOWTSWYRD-UAGQMJEPSA-N 438.554 0.018 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1751238179 UAFJTCXYLZJGFC-CVEARBPZSA-N 425.559 0.493 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC[S@@](=O)CC)CCOC1 1765913615 OUUKFGILLCXTJW-LRDXPATISA-N 436.582 0.875 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1767439374 MNAVDPTVAUWVIO-VQTJNVASSA-N 436.488 0.621 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3cccnc3n2)C1 1778987123 YILDVAGRIKVTBZ-RADWXHQJSA-N 425.489 0.895 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779019519 ABUULIIKZUYCHY-OITPDSKSSA-N 428.533 0.892 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nncn3c2)C1 1779065965 ZVULBWODBAOXPV-RADWXHQJSA-N 425.489 0.895 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779280312 LWSQMUZFTJSIDH-QMHKHESXSA-N 440.500 0.630 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CC1 1781300654 VZHDOBGEYXEWJB-HSZRJFAPSA-N 443.523 0.317 30 20 ICED NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1781739650 UMLWEVBULJJXHQ-WIOPSUGQSA-N 432.524 0.816 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1782193315 KRAHNBAHQGPKKT-NNMXDRDESA-N 436.505 0.799 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783133994 RPBNKRVBXHARDB-XMSQKQJNSA-N 444.488 0.807 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783196586 FIMGBALVTRWGSJ-IBGZPJMESA-N 426.508 0.808 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(=O)OC)C3)[C@H]2C1 1784075432 HIRLJNISTKOJQB-ZUUGCUCWSA-N 447.532 0.414 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(C#N)c1 1784475607 DCRMORFWDFMPCZ-OPAMFIHVSA-N 438.488 0.792 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1784482468 MOHVQQSUWLOXLU-XPYUAMARSA-N 440.500 0.598 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784558537 KKVMHIIMGMRKSQ-QHCPKHFHSA-N 426.517 0.938 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cnn2c1OCCC2 1790370490 XTHXMZMVJGXOOY-CUAQBAOQSA-N 441.488 0.971 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3I)C[C@@H]21 1790792858 XOXQXFIILBZQHX-NHCYSSNCSA-N 428.230 0.241 30 20 ICED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)CS(=O)(=O)N3CCCC3)CCC2)cc1 1791448975 PPNHGGLSVXBOJS-UHFFFAOYSA-N 433.486 0.634 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2 1792489718 LGOMQLUPGDJESD-AQZZDKJRSA-N 426.311 0.362 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1792535403 PBIAQEKYWBGIKQ-BAYUQKDNSA-N 442.516 0.614 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793361972 XNQNOYUNJBPHME-OWVAZHOYSA-N 427.498 0.010 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1793821023 ISHHNMRRYOWYMY-CCWDJLKJSA-N 430.534 0.864 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CNC2=O)C3)c(O)n1 1794823474 MVKQIVJUHLIRLW-MUJYYYPQSA-N 441.488 0.709 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797690392 GKPADSPHHKJUQM-KBMWQNTOSA-N 441.532 0.788 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1797839170 QJYWOLKGBQNPLU-IIOJAAQTSA-N 425.489 0.816 30 20 ICED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590500 FINBKFMSZFXDMI-FVCICTRLSA-N 425.894 0.459 30 20 ICED 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)C#N)C2 1799361622 DVCFZPJFBNGAAX-JYYAWHABSA-N 438.525 0.401 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800133333 GXXYPRXUBPCNHL-IARIHHJXSA-N 431.468 0.645 30 20 ICED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)cnc2c1cnn2C 1800985459 IPJCRJJRYPNIIB-NFFDBFGFSA-N 433.534 0.889 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1804094000 LVVMMTHKILCCJG-WIYYLYMNSA-N 446.467 0.825 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806056975 ICFNXPBPMVBCDC-SFHVURJKSA-N 445.651 0.902 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810250337 VBEKXXIAFRBYET-TXPKVOOTSA-N 441.536 0.994 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)ccn1 1812877931 RTSMTEFHBXBDCC-LAUBAEHRSA-N 435.440 0.843 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820309639 GGCNGQHSAYTDPD-KRWDZBQOSA-N 429.481 0.202 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1830053602 ZPCWOSFPMMIHFW-PGRDOPGGSA-N 429.473 0.833 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)C#N)CCO2)C1 1830060326 MMRGGKDCWBZFOV-NRFANRHFSA-N 438.525 0.906 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cn1 1830457570 ANZBKQQNTYDYCU-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C)cn3)C2)C1 1831388662 ZYLQYRLXORBWRD-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccccc3)C2)C1 1831391334 NPSBQSLXRRRKCA-CVDCTZTESA-N 430.501 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1831402836 SZCSZNXIQRQESJ-SBUREZEXSA-N 443.500 0.753 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](S)C(C)C)CCO2)C1 1831484721 BXRQUCVXQBCGEY-OXQOHEQNSA-N 429.583 0.560 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN(CCO)CCO)CC2)c1 1831488290 QIBNJNFADFRVLW-FQEVSTJZSA-N 431.537 0.406 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccnc(C)c3)CCO2)C1 1832619921 XIQQKIBFTUGKPP-CVDCTZTESA-N 429.517 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OC)CCO2 1834125269 NWKIMVDOAUNMNI-ICTHTSFCSA-N 444.488 0.019 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1834606725 LYZKBGJRKFKSHR-UHFFFAOYSA-N 444.492 0.632 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4cccnc4n3)CC2)CC1 1835531812 LMKLIURZNNOWRH-UHFFFAOYSA-N 435.484 0.903 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835775494 SLYJBZKTMRZFJU-CWTAYUNBSA-N 427.501 0.777 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158563 MHFITLQSCHWRRF-XOBIUNJKSA-N 426.473 0.793 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837311839 OHCZFZVFDBTJQL-GCJKJVERSA-N 430.505 0.468 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837402899 LYFLGIVPAGEVKN-PGRDOPGGSA-N 432.521 0.439 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837630244 LFZXWHGEXAMMJZ-KKSFZXQISA-N 447.492 0.277 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)ccn1 1837979118 FVBRWTRJWYSYJX-KKSFZXQISA-N 434.493 0.961 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)s3)CCO2)C1 1838155382 IUTYTRYHJINMQK-UGSOOPFHSA-N 427.910 0.905 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838376136 ZWIKIPDIAOPKJN-JOCHJYFZSA-N 437.456 0.746 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)c1 1838580934 WQZLNBMNKSDWCZ-FQEVSTJZSA-N 443.485 0.802 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839228209 VUXXKDLBCHCZSN-VFNWGFHPSA-N 435.477 0.969 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040780 XYUYIKIVLYFRSY-QFIPXVFZSA-N 425.441 0.035 30 20 ICED C[C@H](Sc1cccs1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042164 FMULVHGKBAUOOS-LIRRHRJNSA-N 438.527 0.773 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165091 VYOXKNQHKZXVJO-GYISASMLSA-N 445.541 0.671 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840814408 HWEBIFKNXWGJFG-QFIPXVFZSA-N 427.505 0.911 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819000 JMBOHEMGZMCMRB-QFIPXVFZSA-N 439.472 0.441 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)C(=O)OCC)CCO2)C1 1840884917 BONOYSJDSQDZMW-ZHRRBRCNSA-N 440.537 0.605 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841604326 MLSTUDBTRCJYPO-DLBZAZTESA-N 435.521 0.864 30 20 ICED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1845180977 GGNUTZJOTMWHKF-UONOGXRCSA-N 442.582 0.926 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC(=O)NC)nnc12 9549542 PAIAIJAULNVRHZ-UHFFFAOYSA-N 430.446 0.321 30 20 ICED CCN(C(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 27104672 VBPJFTDFNIIIML-OAHLLOKOSA-N 447.517 0.964 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)cc1OC 426744261 CIBKTUUEVQIQAN-UHFFFAOYSA-N 434.478 0.136 30 20 ICED CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)n1 435259844 JWOZPKFRDLVWIB-UHFFFAOYSA-N 436.432 1.013 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 441159852 VLYJZJNKHKZOAA-IEBWSBKVSA-N 438.532 1.447 30 20 ICED COCC[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463363660 BKFNGDDHUBUKHW-SFHVURJKSA-N 436.534 0.128 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 471705928 NEYUGKQPYWHUMH-UHFFFAOYSA-N 446.533 0.487 30 20 ICED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Cl 472868922 JAUONEPVLWZZDJ-UHFFFAOYSA-N 443.895 0.901 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 481496856 UMVDKIWTGHEXCJ-YOEHRIQHSA-N 436.559 0.791 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)no1 501952022 QAUKAKJROOFJLE-OAHLLOKOSA-N 435.462 0.622 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC(O)(CC#N)C2)c([N+](=O)[O-])c1 506378720 JRQLNIPGRQYNQY-UHFFFAOYSA-N 426.451 0.491 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 512937976 WCRXAMDWNSQEHQ-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1C[C@@H]2CC[C@H](C1)N2C 513137997 CWZOGWNMVDTZNB-YOFSQIOKSA-N 445.589 0.948 30 20 ICED CN(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1 516941745 OXRDXBFPUDIPIW-UHFFFAOYSA-N 442.544 0.335 30 20 ICED CNC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 533424177 GJSSEECFIXLALQ-HNNXBMFYSA-N 426.477 0.913 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCCO1 535333755 YCCOTMHMPSAWIL-MRXNPFEDSA-N 445.516 0.884 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 541291420 TVDZFUVVWKNSBC-UHFFFAOYSA-N 436.877 0.757 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(C#N)cs2)c1=O 548290401 CPZACJMXBNAIBN-CQSZACIVSA-N 429.523 0.988 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 549087619 WXSYGFVUSZYAEY-MRXNPFEDSA-N 425.532 0.606 30 20 ICED COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)N2CCOCC2)cc1OC 550374985 AOXWRFBQHADDHW-GOSISDBHSA-N 430.505 0.955 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)n1 550582455 IQYOBRWFBHUSKQ-OAHLLOKOSA-N 426.477 0.999 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)n2)c1=O 572455512 ZQRGZOGDMUEPJY-CQSZACIVSA-N 446.529 0.004 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(-c3cccnc3)nn2CCO)cc1 577924441 WUWBVRHVSZMFHJ-UHFFFAOYSA-N 426.458 0.726 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603795550 YXNZJTPVNKVQGT-UHFFFAOYSA-N 443.525 0.699 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 609756381 DTQCLKKZELLKSJ-UHFFFAOYSA-N 431.474 0.167 30 20 ICED C[C@]1(C#N)CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 612364729 CILDJEYHPRWGJF-SJLPKXTDSA-N 427.548 0.920 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 617518093 FODITNYPEVTZHK-UHFFFAOYSA-N 440.525 0.976 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 677112606 BVEGQLHDKXOGJG-IBGZPJMESA-N 447.967 0.824 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 726043867 UNDIMLNUCQIWDX-CYBMUJFWSA-N 430.417 0.860 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)c1 726581448 WNFYYRVIDHFFBU-UHFFFAOYSA-N 431.521 0.889 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 727010666 HYOXKLPAAIHLAC-SFHVURJKSA-N 447.513 0.790 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OC(F)F)c1=O 729674125 CJLKZMYHKMZZIU-UHFFFAOYSA-N 425.438 0.582 30 20 ICED CON(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 731888544 VVGNFPSRAMUMFG-ICFOKQHNSA-N 442.881 0.778 30 20 ICED Cn1cc(N2CCC[C@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 741831478 MBQAXHBZFOZOCZ-INIZCTEOSA-N 445.501 0.978 30 20 ICED COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1C#N 747446860 KHMPAPVPUITAOI-OAHLLOKOSA-N 428.470 0.884 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 747741516 HTPHHRPEUHNMHX-GOSISDBHSA-N 433.530 0.746 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c(C(F)(F)F)c1 748089705 UOCVHOUELJDXHV-UHFFFAOYSA-N 427.426 0.517 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758450637 WCZWQMIJHSHSPJ-ZACQAIPSSA-N 436.557 0.987 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758954701 NLGVHDFRFAWGHA-UHFFFAOYSA-N 439.493 0.556 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 767625564 BKORRBYKOWZJRH-PBHICJAKSA-N 443.481 0.888 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 771898635 QZMNYEIAKPFKMV-UHFFFAOYSA-N 446.239 0.067 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cc[nH]n1 772274821 IJMYBJPLGZMULR-GFCCVEGCSA-N 431.409 0.710 30 20 ICED Cc1cn2c(n1)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3\CCCN3C)c1)CC2 782829502 XEQFMQKOGHLALC-HAVVHWLPSA-N 444.517 0.985 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787618674 KYPGTJZGSGGWEO-GFCCVEGCSA-N 425.463 0.476 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)nc1 787851045 JBZCUESOEAHIDO-UHFFFAOYSA-N 435.532 0.810 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)n1 789794981 RBDDKJICTMSPRY-UHFFFAOYSA-N 435.481 0.893 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)c1cc[nH]n1 789963526 BJAKTWHGSMDVBK-UHFFFAOYSA-N 445.451 0.746 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1ccc2c(c1)CCO2)/N=C1/NS(=O)(=O)c2ccccc21 797257064 AWVFBKONUIHAIV-GFCCVEGCSA-N 449.510 0.944 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)c1 798079481 CWDDOKIHCGLUSB-UHFFFAOYSA-N 443.485 0.847 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 800627590 MTNZWMCHPSHZPL-UHFFFAOYSA-N 449.467 0.179 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 801617850 RHHXCVNOSPRFKV-PGMHBOJBSA-N 443.551 0.701 30 20 ICED Cc1ccc2nc(CS(=O)(=O)CCS(=O)(=O)c3ccc(C#N)cn3)cc(=O)n2c1 809174110 TWBVVUSSSBFEPY-UHFFFAOYSA-N 432.483 0.658 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813984829 CLHBBXOGWOYCDX-LJQANCHMSA-N 443.441 0.234 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)o1 820471270 QVVIVFNDGYDRQO-VXGBXAGGSA-N 429.451 0.106 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1c(C)cccc1C 838358617 UPSLGUVHTOLFGO-UHFFFAOYSA-N 437.525 0.515 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1COc2ccccc2O1 916486335 MDXHCPJUHQOVLO-CYBMUJFWSA-N 445.453 0.225 30 20 ICED CC(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279474 VFIUHQSPWLJOCA-HAVVHWLPSA-N 437.522 0.470 30 20 ICED O=c1c(C=NNS(=O)(=O)Cc2ccccc2)c(N2CCOCC2)nc2ccccn12 920383611 MBMNNDGAJZJABC-UHFFFAOYSA-N 427.486 0.985 30 20 ICED CCN(CC)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1322740866 RWCJSQASQPOWOU-UHFFFAOYSA-N 430.552 0.988 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359084973 XLPRSENLFMQAIK-VXGBXAGGSA-N 448.343 0.040 30 20 ICED CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1503615666 ZVDJMYRJIRBNDT-HXUWFJFHSA-N 441.517 0.699 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCOCC2)n1 1609506894 LCCHUPZOGVWJTI-QGZVFWFLSA-N 440.508 0.425 30 20 ICED CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1616748630 KSQPYNDMSDALIE-UHFFFAOYSA-N 425.493 0.818 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1671495269 PEHVXXLBXQGNRW-HUUCEWRRSA-N 444.558 0.315 30 20 ICED CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1706314753 JTMLUVOASQFPKS-UHFFFAOYSA-N 432.554 0.886 30 20 ICED CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOC1 1729941947 OWOGIRCJAOEVPX-KDOFPFPSSA-N 426.543 0.824 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1746647899 SWCMRTIVNGWLIB-JTDSTZFVSA-N 440.570 0.950 30 20 ICED CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1771336295 OMACXGJQUHKHGT-KRWDZBQOSA-N 434.522 0.845 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778935442 BOPPGDXFVXPNJK-QKKBWIMNSA-N 449.508 0.162 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1778970941 HAMYSBCOQZZLMM-OPAMFIHVSA-N 442.520 0.758 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779533743 GSDYDMUGGRCOOU-XRWLCIBQSA-N 430.505 0.903 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779553269 CNTFOIUMUNPFOB-VDVULAQNSA-N 439.553 0.225 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060109 KLSGRVOBVHJUHZ-YCRPNKLZSA-N 442.476 0.334 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1 1780350026 RCSNEKSFDDFFAF-ZWCUEREDSA-N 444.488 0.750 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804151 OPGWIDJLPOHYTA-JXXFODFXSA-N 441.598 0.785 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)cc1C#N 1781253035 PYGBSZYIICZBLD-AOMKIAJQSA-N 428.489 0.923 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783051759 NAZGAPCUNNHNJM-XGRCMKMKSA-N 435.521 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1783530696 SSHUSIBFILFBHF-ZGJAHLKCSA-N 445.472 0.255 30 20 ICED CN(C)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1783565514 MCDBLBHRWFDQOC-TZIWHRDSSA-N 433.892 0.861 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)CCO2 1783566039 XAGFLDUCIPUBRE-OAQYLSRUSA-N 441.440 0.934 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21 1784482400 NJPQMPKXDNOZIY-VKRLORBYSA-N 437.500 0.899 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378518 HKXBOKAQEIVTCG-OAQYLSRUSA-N 425.445 0.959 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785589184 CTHZOXYTOQQCSB-SNRMKQJTSA-N 433.530 0.882 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1785728366 JRYXZSQHZWENTB-HRAATJIYSA-N 436.509 0.756 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)cccc1=O 1785870399 NIKMIHVQNFYUQA-PPKZOYOQSA-N 426.473 0.691 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3C2)CC1 1790227554 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CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907135 AZYQWCLFRWJYOH-SBUREZEXSA-N 442.516 0.933 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839806131 BCOWHVREHTZYPF-VGSWGCGISA-N 435.521 0.769 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2)c1ccc(O)cc1 1840028604 DFILIJLYFYMYDH-WCAVRKLYSA-N 430.501 0.726 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840158767 QPGXAFFJCPPXIY-QRWLVFNGSA-N 439.603 0.881 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCN1 1840229113 ZFQPMXKYBLDFFI-CVDCTZTESA-N 425.485 0.021 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1840277026 LVVXOZIIXBZWGE-VGOFRKELSA-N 435.521 0.723 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840292141 YLAFJXXIYYQLFO-QHCPKHFHSA-N 442.516 0.461 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840844070 BSZMZSPIOBDYNY-QHCPKHFHSA-N 426.517 0.253 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844623815 HPOXGCANEGQBNO-PLNGDYQASA-N 427.486 0.431 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847292541 YPCORTSZBSOCMO-WMUXEFRJSA-N 447.488 0.160 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 427805567 OWYVUUAPQDJYIB-NVXWUHKLSA-N 433.534 0.829 30 20 ICED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N3CCc4ccc(C#N)cc43)no2)cn1 433659170 FRBVUMDFWYNNNR-KRWDZBQOSA-N 433.428 0.831 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 437402477 BQZLQAIJKJGACJ-CYBMUJFWSA-N 426.470 0.793 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 439361481 UYYFOKZTDYOKDK-SFHVURJKSA-N 437.504 1.099 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 441225312 DZLVXPXORYHWGY-NRFANRHFSA-N 442.476 0.769 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441954261 OUTLODFMCGAPDX-AWEZNQCLSA-N 431.539 0.370 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1F 460610249 GQXRARXKGGFEPJ-UHFFFAOYSA-N 449.446 1.380 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2)c(F)c1 463767066 WBURYROSOGTVRC-PZTNVXNFSA-N 426.448 0.945 30 20 ICED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 478848890 CPHIMXDYGGAZGH-KRWDZBQOSA-N 449.536 0.739 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)cc1 480550686 MGKLCNMHERPNDX-HNNXBMFYSA-N 428.474 0.167 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](S(N)(=O)=O)C3)nnc12 484828544 ZBCMGDRRYKUGAU-LBPRGKRZSA-N 448.530 0.212 30 20 ICED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490034074 OGZYORLLTZZBNW-UHFFFAOYSA-N 443.467 0.382 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 492096818 ZSONBKVQXMKNEO-UHFFFAOYSA-N 429.502 0.840 30 20 ICED C=CCN(CC1(CN(CC=C)[C@H]2CCS(=O)(=O)C2)COC1)[C@H]1CCS(=O)(=O)C1 497838930 BVGWMRARUKQUPV-ROUUACIJSA-N 432.608 0.353 30 20 ICED C[C@H]1CN(C[C@@H](C)O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 501951979 YJPCCWKEQRWHJN-DLBZAZTESA-N 442.520 0.842 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 511918300 ZWTZPMXBJKNGJW-UHFFFAOYSA-N 442.398 0.491 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)CC1 512464339 WOTSUPKAVHBBOW-JOCHJYFZSA-N 440.592 0.613 30 20 ICED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1 518744321 MGULYELHDOLXSE-UHFFFAOYSA-N 427.442 0.431 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 530317714 GVCFOZUKZUWHMB-NSHDSACASA-N 437.930 0.609 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1 543867091 UKCQVJPBCFGUBG-UHFFFAOYSA-N 439.493 0.578 30 20 ICED Cc1nnc([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 546103495 CPNCACWGHGKLIC-CYBMUJFWSA-N 434.547 0.902 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCCN3CC3CCC3)CC2)cc1 547781416 WPEPJZNGABSSMO-HXUWFJFHSA-N 432.546 0.892 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 549550952 OBRCCZOBFQKCCL-INIZCTEOSA-N 442.541 0.828 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 552701018 QFPSDSXSXIGSIM-UHFFFAOYSA-N 434.500 0.419 30 20 ICED C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NC[C@H]1CCS(=O)(=O)C1 552894678 GDAOSYOTJVYMRP-NUEKZKHPSA-N 436.509 0.579 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1-n1cnnn1 565274152 AWDUSQQRFBNRSZ-UHFFFAOYSA-N 437.489 0.895 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 581153433 SUJIPPBOCLPRBJ-IBGZPJMESA-N 437.500 0.783 30 20 ICED CC(C)OCCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587646795 BYCXUWLMROQIKS-UHFFFAOYSA-N 428.537 0.607 30 20 ICED N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 615647327 UTLFRQGAUYTWKP-KRWDZBQOSA-N 425.442 0.365 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 671383418 AZLPJIXOTUWSHM-OAQYLSRUSA-N 441.576 0.461 30 20 ICED CC(=O)N1CCN(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 729316706 QCFHWTOPLNZPJU-GOSISDBHSA-N 449.577 0.420 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 730730239 UGUOZJMYRUXNOT-LBPRGKRZSA-N 429.462 0.587 30 20 ICED CSC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732156404 MPTZFTYTINESSS-AYRJNUBGSA-N 434.518 0.536 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 748809717 HVRQBUHBZNCHRK-UHFFFAOYSA-N 430.574 0.259 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)oc3ccccc23)c(=O)n1CCOC 758039058 BIPJAJUNPICJLB-UHFFFAOYSA-N 441.509 0.877 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc(OC)c2OC)c1=O 758056782 BFHDTEQUNMXIKJ-UHFFFAOYSA-N 425.510 0.980 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)ccc1F 760673523 BYCAOHZFUHBJSZ-CYBMUJFWSA-N 437.453 0.755 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 762945633 UMGXYNVJZLGAEJ-GFCCVEGCSA-N 430.442 0.506 30 20 ICED C[C@@H](C#N)CN(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 774303250 MAUIPQSGMIRYBW-ZDUSSCGKSA-N 432.524 0.592 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3cc(Br)ccc32)c(=O)n(C)c1=O 774585383 JCJQXOUDKRYANB-UHFFFAOYSA-N 443.279 0.312 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)[C@H]1CCCO1 776229511 WTWPEBSRPSVMGX-LSDHHAIUSA-N 441.531 0.731 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 783349730 ALGRGWQCNYLMJA-CQSZACIVSA-N 433.490 0.738 30 20 ICED COCCOC1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 785036226 WTBSDTJZOGCKGX-HEHNFIMWSA-N 438.506 0.312 30 20 ICED C[C@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCCCC1 789108752 GRYASGZLZOQHAK-LIRRHRJNSA-N 434.493 0.876 30 20 ICED COC(=O)CC[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 791754193 RHYLYZXBRJHOFW-DGCLKSJQSA-N 425.463 0.115 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1 802634305 ZHLSIPKDMWJEKG-ISPGYRLHSA-N 426.470 0.371 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c(F)c1 806713239 JGPXUJYXOIYIBZ-INIZCTEOSA-N 432.452 0.384 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)C1 807109368 HDXHTWUTAQYQJL-BSGIZYOKSA-N 434.497 0.908 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 807182782 JFANWXAWFUNRLB-UHFFFAOYSA-N 438.466 0.469 30 20 ICED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 807585634 IBBKMGSSLZXUDF-IBGZPJMESA-N 432.484 0.832 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)c(C(F)F)n1 812277986 BFOPOXJXVUKIOK-NSHDSACASA-N 449.483 0.399 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249922 ZZBMNWIQLUBMMT-LBPRGKRZSA-N 437.472 0.212 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(N)nc(N(C)C)n1 828101633 SOZIRKZMVBPHNE-ZDUSSCGKSA-N 447.521 0.861 30 20 ICED CC(C)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 876701835 YNMOARPJQYRYKW-SFHVURJKSA-N 437.518 0.932 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 914760559 XLXSTBJTNOXNRW-UHFFFAOYSA-N 426.454 0.902 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1161421651 KRVFDBBLHNATEG-UHFFFAOYSA-N 429.502 0.979 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@@](C)=O)CC1 1288820179 WLFBDUNJAOJKPK-PFUSGODGSA-N 428.584 0.929 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1517670915 QDJXAZGXAVOPHG-JXFKEZNVSA-N 445.501 0.366 30 20 ICED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)CC1 1521149003 NMPYCKLHIBCCNN-UHFFFAOYSA-N 425.497 0.684 30 20 ICED COc1ccc(CC(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1558776333 VDVYOQJIHVOGGD-UHFFFAOYSA-N 437.518 0.695 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1656256666 OMNOXOFRIZKHIM-MRXNPFEDSA-N 428.580 0.733 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1710468504 VILHIXAOYGMNFT-QZTJIDSGSA-N 426.543 0.609 30 20 ICED CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762401992 GKHBZEWUXCLVDX-HOCLYGCPSA-N 439.586 0.616 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777935285 YJUWTYJRSZCUBP-PEAZMPFGSA-N 442.476 0.702 30 20 ICED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778092138 ZQHMTJGQHQFKRG-VQIMIIECSA-N 426.539 0.230 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779018714 FSIGYBAUSUDTFU-IIHIVLJSSA-N 425.493 0.645 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105596 FRCJOEWANUHALR-GIFRWZEPSA-N 444.488 0.758 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779178117 ZVHLBZSPCVYFLO-NBQZKYEYSA-N 435.550 0.379 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)Cn4nccn4)C3)c2c1 1780822767 XBMYWBWJZLZFLY-XMSQKQJNSA-N 448.487 0.854 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(=O)NCC(C)C)CCO3)c(C#N)c1 1781172515 SGNCIUVVIUURDS-HSZRJFAPSA-N 442.516 0.711 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3cc[nH]n3)n3ccccc13)CCO2 1783564249 IGXQIGBMRPVKHT-QHCPKHFHSA-N 447.451 0.861 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783893564 HPQQAKZLMBNRAO-LPMFXHHGSA-N 431.555 0.674 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1783917347 KHUURYSNXDNTIA-WNHJNPCNSA-N 429.904 0.950 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784533070 IWHWWKBAECPVOM-QCEMKRCNSA-N 433.534 0.983 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328313 AJSSPDDIYRPXAM-HPZZRFSDSA-N 429.477 0.276 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1786860210 OTHDWJAUOFVVKK-FHWLQOOXSA-N 441.532 0.661 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c(C#N)c1 1787122394 UGTGDNVQVLGKKO-VDGAXYAQSA-N 438.488 0.381 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387897 PLSFYRVVLZCZCU-OHFALNGGSA-N 444.492 0.829 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788624558 MTTHNXZXZKUSCJ-YHIPHSQJSA-N 442.520 0.115 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)ccc1F 1789907486 XIRNQXOWZODEFM-QOKNQOGYSA-N 439.447 0.617 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791180851 SRFSRUWDJZSLGK-BZSNNMDCSA-N 433.553 0.260 30 20 ICED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1794338382 JFAXDWJAXASMQO-CVNGWDAJSA-N 447.492 0.608 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cccc1=O 1794586052 XDSUCETTWWPBAB-UPHUGPLXSA-N 427.501 0.287 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c1 1795639012 DCENPXXTRAVUET-HKAGCZBPSA-N 427.505 0.110 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nc2ccccn2n1 1796101408 XSWUPDLUXHWJFS-LHUDAYIPSA-N 425.493 0.404 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1799303494 BIGNKHPUINIVFS-CCWDJLKJSA-N 428.445 0.935 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cccnc1)C2 1799304973 LMYKSGTWLXRHKG-LJCCNALRSA-N 430.505 0.981 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799933456 LDOXOYLMKAEPEM-SCAQPMJSSA-N 430.509 0.151 30 20 ICED CCOc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1OC 1800861642 ZUJPSBVTEWRMNW-MFKICJERSA-N 430.457 0.314 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800991887 MXFZBFLRTJHEBG-IZZQQSIFSA-N 425.551 0.051 30 20 ICED O=C(CCCn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801305988 PFUVSLBGLRPCJT-NEDQEEEMSA-N 433.509 0.782 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1802477529 OZIZBZRXHSWPAK-LRJKKDHCSA-N 441.488 0.398 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804355182 SGKGGUBFCGFWSY-VKJFTORMSA-N 435.444 0.199 30 20 ICED 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](CC)NC(N)=O)C2 1804372344 NEHAXYUXNRGJKF-QEOTZNIISA-N 449.552 0.988 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1812874252 IMSIPVZKVSSHJL-KKSFZXQISA-N 435.440 0.000 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189195 BTKGLPDAGMOOKX-SCLBCKFNSA-N 446.510 0.036 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1821217123 HQHWFIQLCJSOTO-SJKOYZFVSA-N 435.437 0.333 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821463635 NLGVXQUHCQAVMU-ISALQUGTSA-N 428.474 0.311 30 20 ICED COCCOCCOCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822258707 YUYUGHHGAMGKIV-MRXNPFEDSA-N 436.465 0.560 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830051070 VXXCHDTVWBHBDO-PGRDOPGGSA-N 431.489 0.735 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830458146 LHWVKVZPEUKIJH-QHCPKHFHSA-N 437.500 0.995 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)CCO2 1830834432 TTYQSCWLIYBMER-WCJKSRRJSA-N 448.422 0.613 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1831397282 QETPBOPGKOQRRM-FDDCHVKYSA-N 429.517 0.861 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1831402418 YLUZSMWNPAPGRM-DHJUGAMNSA-N 427.501 0.518 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831484936 JHVZDNYUADHXES-DNVCBOLYSA-N 438.506 0.199 30 20 ICED COCCOCCOCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831723650 BVIRSPAYMOSWCX-IBGZPJMESA-N 438.521 0.764 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832811762 XMSYQXHHDXVPBB-UQQIOGDDSA-N 432.525 0.270 30 20 ICED COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832855644 QUWQPJRSFQVJCR-QHCPKHFHSA-N 427.501 0.893 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833754789 FXBYLEDBJRNFII-MBIGCVILSA-N 447.488 0.991 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833944989 AHXKRFQNGQPUQC-SFHVURJKSA-N 433.553 0.884 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1835359846 LPNQJYKHNOSZRG-HXUWFJFHSA-N 446.416 0.697 30 20 ICED Cc1noc(CC(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1835732121 CLYDXUPJYCYOMU-XQNSMLJCSA-N 445.568 0.964 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837396710 IXPIPEXVVDWLNB-SFYKDHMMSA-N 432.517 0.750 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530930 UKGXSBICHLEWML-DNFLGLBLSA-N 439.509 0.587 30 20 ICED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838400384 IFXGWDGEFKXDOX-UHFFFAOYSA-N 433.549 0.820 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595297 LHPLJJNYYXKPCH-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839174192 LGTRZAMAFNHZLP-FQEVSTJZSA-N 438.456 0.437 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839275056 IMUJZRHVLDVENU-XIKOKIGWSA-N 425.463 0.689 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cncn1 1839422164 GSIBSXCHMMCDGU-QVKFZJNVSA-N 442.451 0.620 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561061 ZMPPKPAACHJEGY-CVDCTZTESA-N 442.516 0.977 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1ccnn1 1839710839 QXJIMAKLBHGAFE-VFNWGFHPSA-N 442.451 0.620 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)C2)C1 1839807193 OZZYEBMNVZRUJV-CYFREDJKSA-N 439.512 0.746 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105790 MGKYVWMEZXJRIN-JTSKRJEESA-N 437.537 0.028 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840180821 XUXDYBDCXGLEIL-ZPMCFJSWSA-N 438.521 0.827 30 20 ICED C=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251503 IBFUQLSEENNWOW-HTAPYJJXSA-N 448.520 0.922 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840437982 LVJLOSNQBWOIBI-QFIPXVFZSA-N 429.521 0.730 30 20 ICED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ncn4nc(N5CCOCC5)ccc24)C3)CC1 1842807612 VZEMTJHAUKUNGE-UHFFFAOYSA-N 435.488 0.687 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809012 CGSRXBFQUDJQCX-CQSZACIVSA-N 434.493 0.950 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)c(=O)nc1O 1843419632 BDDJVFONNYONLK-AATRIKPKSA-N 442.497 0.961 30 20 ICED COC(=O)[C@@H](F)C(Nc1c(C#N)cnn1-c1ccccc1)=C1C(=O)NC(=S)NC1=O 10384347 YWAOKJAIFSTSPR-LBPRGKRZSA-N 428.405 0.452 30 20 ICED CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 16775805 GVOCGFUUISPDCF-HNNXBMFYSA-N 425.536 0.181 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCCCN3CCOCC3)CC2)cc1 18944384 BZXHWKVARQSFRL-UHFFFAOYSA-N 437.591 0.461 30 20 ICED COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 409578555 UKXRIDKUQVOSLO-ZBFHGGJFSA-N 439.490 0.635 30 20 ICED N#Cc1cc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 409598137 XHVLLZOKWLCYMX-NSHDSACASA-N 439.437 0.549 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCO[C@@H](CC)C2)cc1 427883841 DOERAUQGHBKUKM-KRWDZBQOSA-N 438.550 0.659 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1Br 433873087 OXRJIZFJQKOBDA-UHFFFAOYSA-N 445.383 0.989 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 434375642 WVWRRVUWTDCFTK-HOCLYGCPSA-N 427.486 0.651 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2=O)cc1 434423994 XSPWUENMZYTBGX-RTBURBONSA-N 445.545 0.869 30 20 ICED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)c2)CC1 438761431 PWHKDLGFCJRNAF-UHFFFAOYSA-N 442.564 0.983 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 467141346 WQRZSEGKGFFZFX-UHFFFAOYSA-N 442.476 0.069 30 20 ICED COC(=O)CN(CC#N)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 467795825 DDUNDFIMQWWTBQ-UHFFFAOYSA-N 433.490 0.594 30 20 ICED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474582226 FCMJILQIQULPJL-KPZWWZAWSA-N 447.469 0.970 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1 488792719 AKWRKGPXYDPWEO-UHFFFAOYSA-N 429.458 0.463 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 489035718 FYIULKUAEIKBHS-CQSZACIVSA-N 435.461 0.700 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)C1=O 502116042 BMZURPGCOJHJJB-ZWKOTPCHSA-N 428.489 0.158 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 506442867 CDNDAEKZRBNGDY-OAHLLOKOSA-N 429.520 0.077 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 527323443 BMVMVRDOBHRRDC-UHFFFAOYSA-N 436.896 0.607 30 20 ICED C[C@H]1CN(CCOC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 539189473 XGMDPTKQQJBAMB-CALCHBBNSA-N 432.525 0.852 30 20 ICED C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 542030622 JEKVTBFLUQEKIH-TZMCWYRMSA-N 448.480 0.944 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)nn1 545406374 ZTIUMSGYQHBKRM-UHFFFAOYSA-N 431.474 0.715 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c(C#N)cn1CCOC 548174974 BNGCAWVFBFGKDM-CQSZACIVSA-N 441.510 0.728 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 550551989 WQOCMMKTNCQQPA-UHFFFAOYSA-N 445.539 0.353 30 20 ICED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559010331 JBDFRVCRUKTZFM-OAHLLOKOSA-N 444.517 0.072 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCOCc1ccc(C#N)cc1 566887654 PPGISYFUMMLKPA-OAHLLOKOSA-N 444.513 0.999 30 20 ICED N#Cc1cncc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 576269100 WSUDVEDZOQRYAS-MRXNPFEDSA-N 429.506 0.527 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CC2)nc1 587647714 LEKLBZWKZOWLEU-QGZVFWFLSA-N 437.479 0.967 30 20 ICED COc1c(C#N)ccc(=O)n1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 590585151 PWKMLEUOIYPWLS-UHFFFAOYSA-N 432.458 0.388 30 20 ICED CCC(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 603937108 DSYNZENCUXIVIS-UHFFFAOYSA-N 447.561 0.335 30 20 ICED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c2ccccc2O1 604131434 MPFAPOJHLDYLIV-QGZVFWFLSA-N 439.476 0.233 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 608911218 SKVPNYKYESFTKB-UHFFFAOYSA-N 436.896 0.463 30 20 ICED CN1CCC[C@H](CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609846089 MDTVLMRACYRERR-SFHVURJKSA-N 433.578 0.665 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610798969 SERNQHHUXQUXOE-AWEZNQCLSA-N 442.563 0.593 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 733975312 PLAHNLGJXYANRN-QGZVFWFLSA-N 449.577 0.564 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742798247 LEACDLXMCJVNHY-OAHLLOKOSA-N 444.517 0.469 30 20 ICED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 743182709 BHIKZBGTYJXNRA-ZCXUNETKSA-N 444.473 0.924 30 20 ICED CN1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 745080539 SXIFUJHJKMIRPL-QGZVFWFLSA-N 434.518 0.419 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)s1 752194075 LAXZTROWABMLFP-UHFFFAOYSA-N 436.559 0.231 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(CCc2cccs2)C1=O 756885409 MNYFGFQGAJXPLU-AWEZNQCLSA-N 439.501 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC(C)C)cc2)c1=O 758084109 PHVDNJTUTINGDA-UHFFFAOYSA-N 439.537 0.843 30 20 ICED C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 772709503 FIVCJBCAWNVYFT-UHFFFAOYSA-N 435.955 0.912 30 20 ICED COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1NS(C)(=O)=O 774095735 PNWVCDVGSKWWSF-UHFFFAOYSA-N 432.462 0.500 30 20 ICED N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 787061169 QODDDQRTDBJLIH-HNNXBMFYSA-N 429.414 0.417 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)cn1 791288564 RYFVRZUGLHPXOG-UHFFFAOYSA-N 447.542 0.998 30 20 ICED COC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)C(N)=O 791783509 IILVROKQXGDZFP-QJIFYWSCSA-N 425.511 0.901 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)c1 791983967 TUOIHPJFSKYGRU-IKGGRYGDSA-N 432.502 0.501 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1=O 794228368 ZJYHILRQSOGXNU-OAQYLSRUSA-N 428.445 0.881 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)[C@@H](C#N)C1 796967525 NNSVXZKCYFGUOR-ZDUSSCGKSA-N 448.505 0.813 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)CC1 797539919 TYADKXPKORVVIR-UHFFFAOYSA-N 426.521 0.645 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1=O 798584559 CYWMPBIVTVHZEB-JKSUJKDBSA-N 444.531 0.098 30 20 ICED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802678984 HRTIMCKPIZRHEK-IAGOWNOFSA-N 437.570 0.444 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 804498081 BSIGTLGOZQRMGX-NVXWUHKLSA-N 427.548 0.436 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)n(C)c1=O 811645730 WLMSMFRZIXJBTI-UHFFFAOYSA-N 436.233 0.611 30 20 ICED C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)N(CCC#N)c1ccc(F)cc1 914899057 INIWNWHNMAXZCV-CYBMUJFWSA-N 426.470 0.920 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC2CC2)CC1 916926937 HJWBJOBCKPLRFT-MRXNPFEDSA-N 433.486 0.861 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc2c(c1)OCO2 920301858 OZKQURMBGORPDV-LBPRGKRZSA-N 433.442 0.010 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1314142522 VRRWUJBTQGTFOG-KDOFPFPSSA-N 425.511 0.236 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1316539825 QYRLZUGFOQGNEV-IAGOWNOFSA-N 444.517 0.573 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1337516532 ZQEVDWXFHOCRQF-UHFFFAOYSA-N 435.483 0.698 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1510353157 PHVAYWRXAQHPNR-JKSUJKDBSA-N 438.554 0.920 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1515315669 SCVGNQBGRGUPAO-MRXNPFEDSA-N 425.493 0.909 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1518447623 UNOWVIQBQPJTNT-GOSISDBHSA-N 439.520 0.847 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1518915023 JCAVZVSSNXGHFO-LPHOPBHVSA-N 440.504 0.916 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)N(C)C 1541926527 UAMLGSBMZLROJI-AWEZNQCLSA-N 425.559 0.887 30 20 ICED N#Cc1cn(CCC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(=O)nc1O 1566334142 XWNBHLOXCHXRCW-ZDUSSCGKSA-N 426.351 0.786 30 20 ICED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1631510026 WIKUMYMJVDLIFH-AWEZNQCLSA-N 428.468 0.979 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1640840026 QXQLHHCOUXPDRT-RDTXWAMCSA-N 425.532 0.652 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)no1 1693046327 JPLSDBVJHVLZPU-RHSMWYFYSA-N 439.473 0.398 30 20 ICED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cn1 1693102300 NLUZLOVCFONWDK-IRXDYDNUSA-N 447.521 0.092 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1697000954 NNOUCSGMXNKUKO-SFHVURJKSA-N 437.504 0.780 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1748278387 KEYAXSJZZOKOTE-UHFFFAOYSA-N 447.503 0.981 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1751096072 KXNJFGQAFUSGML-GDBMZVCRSA-N 436.542 0.326 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778057404 YCYMQWBIRKRRLH-QHCPKHFHSA-N 448.483 0.818 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781056134 ZKEFNVQZDGLZQU-ORQYLMBXSA-N 433.549 0.790 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1781111295 LHSWFEBKFBAXOR-IUKKYPGJSA-N 447.532 0.458 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1781166963 XOUSQLLYCMHPJF-PNLZDCPESA-N 437.537 0.894 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(C#N)c1 1781176187 HXOYAIQMFXIQHQ-QFIPXVFZSA-N 428.489 0.465 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400851 YGUMGWQTAIUHDL-FPDPHYFHSA-N 448.524 0.088 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782151363 IMGOLFOWLMHKLP-XIKOKIGWSA-N 430.523 0.991 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1=O 1782192572 LNCFPTVZGWJLFN-HSZRJFAPSA-N 446.467 0.891 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CC)[C@H]2C1 1783965084 FLNCDLUXTMJFLA-JCECYMMASA-N 437.537 0.654 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1784486845 RRVHVSKKWUZHSI-FHWLQOOXSA-N 425.595 0.998 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1785574460 KSOCIOKLAQTPEZ-JTSKRJEESA-N 436.553 0.733 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21)C(=O)O 1786897680 NYKKJZGNVFXDNM-PLYYQAHHSA-N 448.907 0.868 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1)C(=O)O 1787512541 LNWMTGZVWZJWJX-LDFDMIBHSA-N 449.529 0.529 30 20 ICED C#CC(=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 1788095685 UMWATPHCGKZDEQ-TXTZMMAHSA-N 435.521 0.217 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788531794 NGYBQMNKYKFKEQ-XDQVBPFNSA-N 436.427 0.645 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653142 VZNQFONCHZTHKM-DTXGPQKQSA-N 425.526 0.902 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1CCc2nc[nH]c2C1 1791528326 LHVNRCUVDUDBMS-KMZUPGTBSA-N 442.564 0.966 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1792343587 IUWJJKXGCHQIAQ-LUKYLMHMSA-N 436.509 0.516 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C3)C1 1792441362 CEHSHYDGDFEFDK-ZMMAXQRCSA-N 437.537 0.818 30 20 ICED C#CCO[C@H](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 1793349923 RQRRNTAPTYWZPP-DFBDCSAJSA-N 437.537 0.918 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c(O)n1 1794562834 TVBQBINUJQUGDQ-HBCWATKFSA-N 439.472 0.918 30 20 ICED 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 1795584597 KAPUJWFTCPWSQN-UXXRCYHCSA-N 430.571 0.136 30 20 ICED 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0.703 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2 1830742663 KEMOUFAKVNJWSQ-AUSJPIAWSA-N 445.582 0.922 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)CCO2 1830853930 YWTILTAJSYBVSO-HTAPYJJXSA-N 435.521 0.769 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1831084087 WYDPCEADFKAKPW-CDMIOBSGSA-N 439.553 0.585 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1831388514 ZEBARVHCLMIKKC-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831426984 NTWAMGNXFFIPJE-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831487807 SAMZGHWHUGETHJ-YLJYHZDGSA-N 433.534 0.982 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831809748 SCZQOIPORFDPDR-QFIPXVFZSA-N 446.552 0.389 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)nc2s1 1832103994 CBMGSOGBZFPGEI-HXUWFJFHSA-N 444.517 0.402 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832490899 AUFFYSJWCVGXEC-MONBJTKQSA-N 444.484 0.321 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CC)CC2)CC1 1833418295 VMDZQKQOKGNMCY-TUYSUELWSA-N 447.580 0.331 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1833443617 VYDUZVYVNIRVCR-FFCJBUTOSA-N 445.476 0.211 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833647163 AAMOWGHSFRCSMT-WMZHIEFXSA-N 446.548 0.791 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1834121005 QVTFBWFSQDKXBH-RRPYSREYSA-N 449.508 0.328 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1834408444 IEFNDCHOVOJBAE-NRFANRHFSA-N 434.493 0.482 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1835677220 BUJSCFWJUOPPMX-JOCHJYFZSA-N 444.536 0.181 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1836055384 JAHKDNMWVITIST-HSZRJFAPSA-N 437.500 0.533 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836061585 GTMHPHXKPVIYBL-ARJAWSKDSA-N 442.520 0.226 30 20 ICED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)C#CC4CC4)CC3)CC2)c(=O)nc1O 1836825899 MCEXYESTFTZXSP-UHFFFAOYSA-N 442.516 0.669 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465785 JKCKSKPQYPFNJQ-DYESRHJHSA-N 438.594 0.695 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560243 UITMQYKNJWUEAW-ZWTIIMOHSA-N 443.504 0.688 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc(O)n5c4CCCC5)CCO3)C2)CC1 1837758477 SSTGKEAWQJJGLV-NRFANRHFSA-N 429.477 0.299 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838448813 MLEBERNIAAVQHI-FUMRIQNTSA-N 442.516 0.432 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)c1 1838580505 GXPFKDUTNLFXSP-JOCHJYFZSA-N 439.472 0.684 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)c1 1838580564 KHMMZABQUCGLQN-QFIPXVFZSA-N 437.456 0.741 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1Cl 1838596159 RSCNCZCZGHXWCZ-IERDGZPVSA-N 446.891 0.560 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccn1 1838721751 QNCLWOIUFQHJRY-QFIPXVFZSA-N 442.472 0.632 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1 1838951923 PRILDKQZMUOTPI-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204094 HMSSKLNSLYFVMD-IERDGZPVSA-N 441.525 0.295 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839466307 QAHQQAXYWQVYRM-FQEVSTJZSA-N 432.433 0.983 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839618560 NPMKHWUKXANKCL-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839767821 YDWMPDKGSFEDPM-KSFYIVLOSA-N 432.448 0.549 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccccc1 1839864532 ZVLAYRDDJFBTLL-RDPSFJRHSA-N 441.528 0.906 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497890 BUGLWOQAERAFGP-JOCHJYFZSA-N 447.488 0.296 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c(C#N)c1 1840834368 INCYTJPJCFLBMG-QHCPKHFHSA-N 441.484 0.545 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841298280 CXCBLMHZQWGLBM-OHHQFBAHSA-N 437.541 0.547 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1844725371 JXDSNWINUQKNNI-UHFFFAOYSA-N 446.529 0.114 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 16775733 NSRPLKHKBUPXLS-UHFFFAOYSA-N 430.461 0.960 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1cccc(C#N)c1 18392348 HRBMOIRLRSYUIB-UHFFFAOYSA-N 432.458 0.713 30 20 ICED Cc1ccc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)cc1S(=O)(=O)NCC#N 427879026 WZIXOCPWGRFAIV-UHFFFAOYSA-N 429.458 0.945 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCC#Cc2ccccc2)ccc1OC 434913218 FRUZOYRWCJWZMM-UHFFFAOYSA-N 445.497 0.726 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 437304969 LPKLDHOABDHHIP-KRWDZBQOSA-N 434.518 0.719 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441957324 UOUNXDFBNSZHLU-AWEZNQCLSA-N 442.497 0.067 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 446061889 MIKIXIISFUEEAP-DZGCQCFKSA-N 434.497 0.883 30 20 ICED COC(=O)[C@H]1CNC(=O)CN1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 447919147 UGFOBLSKHMRHEV-QGZVFWFLSA-N 427.461 0.920 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)c1 460612118 AZOGZNAMJAADIC-UHFFFAOYSA-N 446.471 1.138 30 20 ICED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 473192136 OFEFORRUTXKCGK-ZFWWWQNUSA-N 429.433 0.063 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)cn1C 476394413 CKNAWCXQYWKDFZ-UHFFFAOYSA-N 429.568 0.839 30 20 ICED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 478848892 CPHIMXDYGGAZGH-QGZVFWFLSA-N 449.536 0.739 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccn2)c1=O 480046974 UFXNKZDNZMDNFY-UHFFFAOYSA-N 425.558 0.772 30 20 ICED CC(C)(C)C(=O)C=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N1CCOCC1 484423587 GAINHXPTRSTNFR-UHFFFAOYSA-N 445.566 0.926 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 484612241 FNEPVTKOAIBSFG-UHFFFAOYSA-N 438.550 0.612 30 20 ICED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1 488144633 MFLACKWQZJTUOO-UHFFFAOYSA-N 445.566 0.330 30 20 ICED CN(CCC#N)S(=O)(=O)NCc1cccc(CNS(=O)(=O)N(C)CCC#N)c1 502333324 NVAPDALOQBZMJK-UHFFFAOYSA-N 428.540 0.046 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 508234084 YZWLUGFWPYMUCO-MRXNPFEDSA-N 427.548 0.096 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)n1 508323905 XGBLFYNFFDAIHK-UHFFFAOYSA-N 438.492 0.719 30 20 ICED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 510684182 MBTJMEMJYYCFPP-UHFFFAOYSA-N 449.515 0.972 30 20 ICED COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521154205 RRKXCTKSFHAXLM-SJLPKXTDSA-N 435.502 0.748 30 20 ICED CCn1cc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 521535734 OEAVJLMQZOYSFU-GOSISDBHSA-N 442.501 0.413 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2CC)c1=O 527279904 UNNGMKSSRRWDNZ-HNNXBMFYSA-N 430.530 0.661 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CC(N)=O)c1=O 532799914 OQWAWXUCUVGWIO-UHFFFAOYSA-N 425.445 0.137 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 538252024 POBPCZPEHIVXKB-UHFFFAOYSA-N 447.521 0.981 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1-c1ccccc1 543861430 QLZQBKCYMXXROL-UHFFFAOYSA-N 449.488 0.700 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 555934075 OVIARJYKWBDABF-UHFFFAOYSA-N 430.402 0.907 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 559499981 OINCJYSAXQAKJG-UHFFFAOYSA-N 435.488 0.150 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 564476888 YGOBIZHPEVWFRL-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 603482813 HWPRXIOYNMMYOS-RBUKOAKNSA-N 430.530 0.238 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1F 609450251 BPWRNUPHGQOGJV-UHFFFAOYSA-N 428.489 0.405 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC2CCN(CC#N)CC2)CC1 609742533 ZYXMTWNZSJUFNQ-UHFFFAOYSA-N 434.566 0.410 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(=O)N(C)C 611538346 UKMWYDYTTOVERQ-UHFFFAOYSA-N 446.960 0.989 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)C1=O 725879146 XZDLFJUEDVJBDJ-GOSISDBHSA-N 442.542 0.709 30 20 ICED C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)N(C)CCC#N 729878501 UUAJFDCREUVJQQ-ZDUSSCGKSA-N 426.495 0.258 30 20 ICED COc1cc(C=NNC(=S)NCCCN(C)C)ccc1OCC(=O)N1CCOCC1 731930979 VEDKIDQUIIJHLN-UHFFFAOYSA-N 437.566 0.683 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 732452075 YZPIXAWPBMKFRE-HNENSFHCSA-N 447.517 0.797 30 20 ICED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732457340 ZPXCTWTUNSLORH-VHEBQXMUSA-N 449.533 0.840 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOC 742142864 AHHMZFYWGSRDTH-UHFFFAOYSA-N 440.525 0.856 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 742607592 VYZZJUOPQARBSY-UHFFFAOYSA-N 427.498 0.710 30 20 ICED COCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 746484163 SBIFZALVJLRCDZ-UHFFFAOYSA-N 427.482 0.752 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)c[nH]3)CC2)cc1 748226881 XPPQZJBTPGXOPK-UHFFFAOYSA-N 444.469 0.779 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C 758584641 IHSATMHBRXMFHM-UHFFFAOYSA-N 441.557 0.488 30 20 ICED C[C@@H](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)/N=C1/NS(=O)(=O)c2ccccc21 761404149 ATSULDPPXYQKKZ-LBPRGKRZSA-N 434.430 0.817 30 20 ICED C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769217434 OOEWPXCXMJJXKH-DZGCQCFKSA-N 436.490 0.784 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 769763194 VTIICRCLYFXELU-UHFFFAOYSA-N 442.335 0.360 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCN(c3ccc(F)cc3F)CC2)c(=O)n(C)c1=O 771891048 RMQWRFODYQHPSO-UHFFFAOYSA-N 427.433 0.297 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 772309791 AMVNMVILCQVNPR-HNNXBMFYSA-N 439.541 0.805 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 772721282 LBZIHDHIQFABDW-UHFFFAOYSA-N 432.520 0.737 30 20 ICED C#Cc1ccc(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)nc1 773331139 FQNIVDAWIPBHOT-UHFFFAOYSA-N 437.499 0.597 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 774224484 CKPVRYHUUGKZJA-LBPRGKRZSA-N 441.510 0.760 30 20 ICED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777896693 CNBOFRFBQMBXCU-LLVKDONJSA-N 431.448 0.584 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 783482123 VBCSAHDZMJSTDW-FQEVSTJZSA-N 446.573 0.804 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784447856 BAMHJWCVGMOMIX-XLNRJJMWSA-N 435.506 0.827 30 20 ICED C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785063367 XZVTYNJIACXVGK-ANHGDRCLSA-N 428.536 0.321 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)[nH]c21 786530494 IFSJOUIQJYAYKZ-GFCCVEGCSA-N 428.836 0.973 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 787102366 AQRBAKXSVKQEHQ-QFIPXVFZSA-N 439.560 0.962 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCCCn3c(=O)ccn(C)c3=O)ccc2c1=O 788219809 IDNRUDFYPKCDGD-UHFFFAOYSA-N 427.486 0.552 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CC(F)F)cc1 797367073 BAHWCDBTJVPWGE-QNGOZBTKSA-N 432.449 0.524 30 20 ICED 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Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1 1836193321 HOOJUKRIVLZBGF-HSZRJFAPSA-N 437.500 0.762 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836884310 WZKDHZMQDHDYKV-WIYYLYMNSA-N 443.610 0.590 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1)C(C)C 1837212464 AKEYBIMYPIOLQT-SQGPQFPESA-N 430.567 0.985 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4ON=C(c5ccccc5)O4)CCO3)C2)CC1 1837293335 VESWGJJRFHHHHK-KNQAVFIVSA-N 440.456 0.481 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837396590 GKXSUEULOASWTK-AOMKIAJQSA-N 443.504 0.601 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837478061 WOUUFVJRZUIKPE-XAUMDUMWSA-N 437.566 0.688 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524471 BPKMFTNLWSPDDQ-HWIIHTTPSA-N 439.509 0.587 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1837588875 WQSRKOVARROHHD-YITPPGKRSA-N 449.508 0.246 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1838581619 DKBCYESIXXZRKS-HXUWFJFHSA-N 426.433 0.069 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108916 UGRXMCZRAQCGHE-KNQAVFIVSA-N 434.581 0.435 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cocn4)C3)C2)ccc1F 1839186372 PMPXXYCCIBHLBL-OAQYLSRUSA-N 428.420 0.998 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)ccn1 1839227052 ISCXJZIGHZEHAH-HRAATJIYSA-N 434.493 0.961 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410924 PTCXQZLFVXUDMD-IQTGRTGDSA-N 443.460 0.024 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)CCO2 1840790498 PMWNHRSTFSWIME-LJQANCHMSA-N 440.905 0.447 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)CCC1 1840814417 IKWQUCXJEWVLSV-FQEVSTJZSA-N 442.501 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840828268 SRJNWGXGVGZCRW-RTBURBONSA-N 430.448 0.998 30 20 ICED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1844337150 HLMXSCVYSVMAAI-NRFANRHFSA-N 427.545 0.674 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847308590 RHQIRSCZNITLHF-UFYCRDLUSA-N 427.457 0.797 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 438747591 NVRQQHPJEQGMHW-OAHLLOKOSA-N 431.518 0.984 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCC[C@@]5(CCCCO5)[C@H]4C#N)CC3)ncnc21 447903878 OLSDZVRBUKXBEN-GCJKJVERSA-N 438.536 0.939 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C 461382254 VIIYZXFKXRFMGZ-UHFFFAOYSA-N 426.498 0.373 30 20 ICED CCOC(=O)[C@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 469690857 OKISWMVXETUCDJ-INIZCTEOSA-N 448.545 0.807 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)c2ccccc21 471977175 GNZBEMBXPHKZFS-CQSZACIVSA-N 437.525 0.615 30 20 ICED COC(=O)[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(OC)c(O)c1 473169846 JVMXFWQOUJQFJY-LJQANCHMSA-N 443.460 0.721 30 20 ICED O=C(Cn1cc(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cn1)NCCO 475603637 NUDBRRVPGZXHTQ-UHFFFAOYSA-N 431.452 0.969 30 20 ICED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)C2 476836859 XZFYZEIFFQTCIX-UHFFFAOYSA-N 438.423 0.644 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 480812327 PNHFSUTVWQQGJY-ZDUSSCGKSA-N 428.474 0.195 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)CC2)o1 490972210 YJRYQTCKFCWKME-PXNSSMCTSA-N 429.569 0.461 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc(-c2nccn2C)cs1 491583305 IDMSONVKVBJWIE-GFCCVEGCSA-N 437.489 0.881 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1=O 499077341 BXOSPLFHBBVJNS-KRWDZBQOSA-N 441.444 0.620 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2=O)cc1 505171456 PLNMJRGTBOJGBN-SFHVURJKSA-N 435.440 0.673 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508989035 YGZSUVUGBWNBMM-UHFFFAOYSA-N 440.504 0.647 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1O 520465935 YOWXNGJNPUEZEH-MRXNPFEDSA-N 433.486 0.518 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(=O)NCC(F)(F)F)CC1 521405487 KUGAHQFROQKFGR-UHFFFAOYSA-N 433.412 0.253 30 20 ICED CCN(C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1)S(C)(=O)=O 521802101 MHFYSSVMSIIZQO-UHFFFAOYSA-N 442.563 0.683 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cnn(CC)c1 522389419 ISXNUQTTYHDBBD-UHFFFAOYSA-N 428.543 0.910 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 527279792 MHTIWHGBTSEJBX-UHFFFAOYSA-N 428.470 0.812 30 20 ICED Cc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)N1CCOCC1 534291096 YQZLDJNQRQGJPW-UHFFFAOYSA-N 446.533 0.898 30 20 ICED C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 542030619 JEKVTBFLUQEKIH-GXTWGEPZSA-N 448.480 0.944 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 553698171 KWWQJKSRMDYZSH-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCC1 554433171 VEXUGCZCFYERJP-LJQANCHMSA-N 425.533 0.988 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 564071369 UDFMESUGDLWMGU-GOSISDBHSA-N 432.488 0.987 30 20 ICED CN1C(=O)CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccnn1C 569177325 DRYQAMCFRBKWMZ-DNVCBOLYSA-N 430.490 0.048 30 20 ICED CN1C(=O)CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccnn1C 571338583 AMPJDZVIRKVQGE-DNVCBOLYSA-N 430.490 0.048 30 20 ICED COCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 577878775 VUPGASLDMBYTSI-CYBMUJFWSA-N 444.307 0.921 30 20 ICED N#Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)nc1NC[C@H]1CCCS(=O)(=O)C1 588841439 KIDVXTMAZSLCJG-LSDHHAIUSA-N 426.564 1.427 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2=O)cc1 588871311 USALRZBTNUQBPP-NRFANRHFSA-N 434.496 0.839 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 603453086 WUCXTQQLYUIVQF-UHFFFAOYSA-N 433.490 0.207 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(OC)nc1 608883869 AAHZKVXYTOJCDE-UHFFFAOYSA-N 434.477 0.487 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)C2=O)cc1 609610023 RFDSJOHFQGMAOL-QYZOEREBSA-N 425.489 0.821 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 728531840 SHOMQFQMOQRFLZ-HNNXBMFYSA-N 447.333 0.696 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 729482197 DRMOTXVHCPLJSX-UHFFFAOYSA-N 430.889 0.493 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCNc2ncccc2C#N)cc1 733360459 WXZDNTSKFDXSLA-UHFFFAOYSA-N 430.490 0.808 30 20 ICED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 735768821 OYYPSEMIIDHCBS-MRXNPFEDSA-N 448.505 0.539 30 20 ICED CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 739134778 CCGMMWGUKHTAJQ-CQHJRZBDSA-N 442.563 0.668 30 20 ICED CC(C)[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 745495295 FTOSBZDOGIWJFK-KDOFPFPSSA-N 437.518 0.930 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 749666908 NBVIBILRNWPAFW-UHFFFAOYSA-N 447.923 0.852 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 753887670 VAIPFVLTVGIJRN-CABCVRRESA-N 435.502 0.727 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 757156622 SANFNWLMLPYPMV-FZKQIMNGSA-N 436.451 0.645 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2OC)c1=O 758074510 BEGYMTOKLWYIBK-UHFFFAOYSA-N 425.535 0.630 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761157131 IIRSAOWKXCXWBZ-UHFFFAOYSA-N 426.470 0.939 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccn(C)c3)c2=O)cn1 763460588 NCIPWNHQIFORNA-UHFFFAOYSA-N 437.525 0.916 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccc(C#N)nc2)cc1)S(C)(=O)=O 773334591 RRWYYHJLJZVTKO-UHFFFAOYSA-N 438.487 0.488 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787581335 QNOGYJPBBJFIFT-ZDUSSCGKSA-N 436.490 0.760 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)c1 799845798 ANNDQNFMYYKTAV-OTECNADQSA-N 440.547 0.465 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cn1 801287472 YVKBCKWLOIFJIY-LJQANCHMSA-N 446.467 0.532 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 802437758 UOZMBWXYMRKHLD-HNNXBMFYSA-N 434.522 0.845 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)c1ccncc1 805808649 VZZVTAZXLSNIBI-ROUUACIJSA-N 438.550 0.714 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(S(N)(=O)=O)cc3)cc2)CC1 811641233 SNXUFTRSFJXXSB-UHFFFAOYSA-N 437.547 0.716 30 20 ICED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C[C@H]21 815708245 MMVKVCTVDMJXCI-HLFYEJPLSA-N 448.501 0.315 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)ccc2C)c1=O 838185284 WCMWMEZDWGAQMQ-INIZCTEOSA-N 429.542 0.827 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665093 IUCZJCMXJMYTTQ-OAHLLOKOSA-N 435.502 0.553 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(C)C)CC1 1116125291 SONBIFBVSLNDSZ-VZCCSQPZSA-N 435.477 0.882 30 20 ICED N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)[nH]1 1141241846 MDHLFCVUFHUPOJ-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1293241719 FFOQFRQEJAJKGT-LAUBAEHRSA-N 426.477 0.595 30 20 ICED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1=O 1504900966 OVHAIMVVCJBJMT-WMZOPIPTSA-N 437.504 0.623 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1510292223 XTDBGUKWTJNENL-RTBURBONSA-N 436.538 0.194 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539575248 ZFTXQYBBSDJDJV-LBPRGKRZSA-N 426.319 0.881 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1555810579 LHPOJOQWOUVSID-QZTJIDSGSA-N 441.517 0.970 30 20 ICED CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641034071 OUPFDYDPLZAXFN-MRXNPFEDSA-N 429.502 0.417 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)[C@@H](C)C1 1690859051 JOXKDQOFDYKROU-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1706625939 YXZOLFSMZXERDV-JXFKEZNVSA-N 449.581 0.353 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1711073837 JUBAPROHMJZRIF-YLJYHZDGSA-N 431.518 0.840 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1741133578 SAKFIMWRZAEXEL-JKSUJKDBSA-N 440.570 0.902 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1749874829 XIZDMGHRWJBYPE-UHFFFAOYSA-N 447.565 0.477 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1751096895 ZSEYNTLZPWIPDW-QIIPPGSGSA-N 426.543 0.510 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1768586757 JZSROVHIUAXPJX-UHFFFAOYSA-N 449.519 0.873 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1768944065 WRTYZFCQEXKXHK-UHFFFAOYSA-N 441.464 0.183 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061010 MRVCMULCZWUHFA-NRFANRHFSA-N 438.546 0.421 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440134 OBRPKVPCCGYQEY-WXRQGEQDSA-N 439.534 0.647 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1780124720 WNUSQSYQKJMASS-FQEVSTJZSA-N 430.417 0.192 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1780599910 SPUJZTUDEIWFCA-FDDCHVKYSA-N 425.533 0.638 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1ccnn1 1781548063 PMIRUVWRCKCHSH-FVZPWGAISA-N 448.524 0.882 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783501617 ISPALVRETQMJIY-OGZWOBCASA-N 447.488 0.017 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)cc1 1785218236 ZNXXHNMPMLJWEM-WDSOQIARSA-N 438.444 0.956 30 20 ICED CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn1 1785607698 YWSDNZDBEOWMGR-BAVDVLQDSA-N 444.536 0.940 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788759634 SACUWUXKWMTDPN-HYJFEMIMSA-N 440.500 0.607 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1789905389 HBUNWBCSGVVAQV-JONQDZQNSA-N 441.525 0.136 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328236 YEXAXRYMCWMEAN-IEZWGBDMSA-N 441.488 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(N(C)C)c1)C2 1792484721 YOFFMCKOFYTEDR-OSQPQIOTSA-N 427.505 0.209 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1792490899 QOVBERKQIFPYHK-JLVBRIDZSA-N 429.521 0.822 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792544887 IZEVYENHDOCZTD-AJYBTWMASA-N 448.564 0.588 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)c1 1792626436 JZBCRCYKGOCHBB-HGKCTWBKSA-N 429.477 0.041 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1792964248 RIVKQWTUINKUFH-RZFLPCETSA-N 434.537 0.447 30 20 ICED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793751265 ZDUPSOKGJVHWLY-CWPLJXCYSA-N 438.488 0.506 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccon1 1794930442 IRZVMONIWSRBMS-YALNPMBYSA-N 432.477 0.794 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797143326 ROVIYFWYLIBXCM-OWLYRPNTSA-N 435.521 0.481 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1797712597 NHRGSFSUBAESTL-ZWUHOBOKSA-N 441.575 0.009 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1797759270 GLDGYYUTSZLLPA-HGKCTWBKSA-N 445.545 0.254 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)c1 1798577025 RIYPZYYXBCINNP-MIFYACCESA-N 440.416 0.715 30 20 ICED 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1831392150 JLFJVNKFXILDSX-IIBYNOLFSA-N 446.460 0.407 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1831398901 MVGZULPOCLJXHW-JTSKRJEESA-N 426.473 0.443 30 20 ICED O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)O1 1831563919 PGJPJWYGYQQJBH-LAUBAEHRSA-N 447.875 0.256 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnco2)CCO3)ccc1F 1831935652 OWMPPFWXTUCLME-OAQYLSRUSA-N 428.420 0.998 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)c1 1834173432 UAINKKLHTGZPHQ-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835050083 YNDBXVJAFDYUFR-DYVFJYSZSA-N 425.624 0.903 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1835183742 DOTKXQZMOAXIME-FQEVSTJZSA-N 435.502 0.139 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835356761 KPOYFDPZMGNNSK-NHCUHLMSSA-N 428.445 0.481 30 20 ICED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835390188 ILIHIZFBFVHSTF-QFIPXVFZSA-N 430.505 0.345 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1835681299 WTEHERHUCWDSQL-JOCHJYFZSA-N 448.495 0.883 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1836062065 GKSYUXRMJHSUJM-MHRHTVJOSA-N 429.477 0.131 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836154542 RKJBCJMFYSUVIU-QFIPXVFZSA-N 429.521 0.362 30 20 ICED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1836560016 SMSYWERJDLFELB-DYVFJYSZSA-N 425.624 0.903 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837394983 NDHIVMDKVITTBV-YWZLYKJASA-N 438.912 0.773 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCCN1 1837531562 PNCUCZVRCYFVFV-YNXNAODTSA-N 438.525 0.114 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837679146 FMANUANPBBBSEN-DNVCBOLYSA-N 431.480 0.959 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)C1 1837987508 ZTAAMBIJBPELKV-AOMKIAJQSA-N 432.521 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(CC)n1)CCO2 1838131578 INVJSHZWLMHZJK-QEVIJRNUSA-N 432.477 0.165 30 20 ICED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131911 HVLJHLHHHXXPGI-JOCHJYFZSA-N 431.489 0.602 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1839361048 MXQKZNJMKCEWSZ-JOCHJYFZSA-N 442.472 0.275 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361529 PWVLUVLQKITFNM-KSFYIVLOSA-N 428.489 0.334 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362123 YRQNLXWTPJVWER-QHCPKHFHSA-N 442.516 0.595 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1839419805 VPCJNACGJCYZRG-JOCHJYFZSA-N 439.447 0.800 30 20 ICED Cc1cc2[nH]c(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2s1 1839525570 UMOKXYFKILRSJO-FQEVSTJZSA-N 431.470 0.696 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1839805861 SZCQHSXJKZRYFG-UZUQRXQVSA-N 441.484 0.138 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1)C(F)(F)F 1839894828 UFABZNZIPHBGPW-GOSISDBHSA-N 444.410 0.690 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)C1 1840039793 HWGXJASAZYRQRQ-FQEVSTJZSA-N 438.839 0.566 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271151 CTMJQHMWWLCFRA-RYLXDESZSA-N 425.526 0.795 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c1 1840713708 ONKKCLWDXPVWTR-OPAMFIHVSA-N 438.488 0.826 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819228 XIAYKBNDAUYGHN-GCJKJVERSA-N 430.505 0.391 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1845200144 OQXWXLQPLVKKFI-OAHLLOKOSA-N 433.513 0.736 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054320 HSHMSFIHQOVBBW-UHFFFAOYSA-N 425.532 0.560 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)NCC)C2 1847068662 FYYGCJBQSFUWJJ-HOTGVXAUSA-N 449.552 0.814 30 20 ICED C[C@](C#N)(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CC1 9050587 ANWQIJBKUUYAOH-GOSISDBHSA-N 438.462 0.803 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 29250143 SDVJVBFSHLMRND-UHFFFAOYSA-N 425.449 0.196 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 29402945 QDPKITNQOSMVLO-UHFFFAOYSA-N 432.484 0.852 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCO1 410145102 JJYYMYGKVANIFO-GOSISDBHSA-N 433.534 0.053 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CCC1 431042713 KFHJYHYIIFNLJH-UHFFFAOYSA-N 441.509 0.687 30 20 ICED COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N[C@H]1CCOC1 435112711 DAPJYFDOFHRWGC-AEGPPILISA-N 436.490 0.509 30 20 ICED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 439932702 MVHCIDVXKKQAQJ-MUIFIZLQSA-N 449.485 0.362 30 20 ICED COC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c(OC)c1 443141394 FNGGKCPRQZUCML-UHFFFAOYSA-N 449.489 0.956 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1C 444496676 KJQSGAOYSPXAMP-UHFFFAOYSA-N 444.517 0.885 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cn1 460578119 RGDWTDQCKORUMY-AWEZNQCLSA-N 442.382 0.912 30 20 ICED Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460611963 WNURAUWBXJLOPR-UHFFFAOYSA-N 431.456 1.241 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)(COC)CC1 460800696 FJMWYHLSTYISGP-MRXNPFEDSA-N 438.554 0.944 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 464956652 WFWBAAKVKZWEMW-OAHLLOKOSA-N 425.497 0.353 30 20 ICED COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 477614046 ITTKAXCXUZGNPE-LJQANCHMSA-N 427.505 0.002 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CCO2)c1 484181938 XIDAKFDWXCGZIH-LJQANCHMSA-N 448.435 0.987 30 20 ICED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 488144009 KJFLUXYXKCYIKX-ZDUSSCGKSA-N 426.495 0.072 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)CC1 491211242 CKYLSVGWIKXQPM-KRWDZBQOSA-N 443.548 0.908 30 20 ICED COC(=O)C1(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS(=O)(=O)CC1 500238522 QNPRCNVUXPAANL-INIZCTEOSA-N 434.518 0.715 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(Cc2ccon2)c1=O 505666384 XCSPGOOPINRTIZ-ZDUSSCGKSA-N 425.470 0.097 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506697047 PVCTYNHEECEWDI-GOEBONIOSA-N 428.536 0.326 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1C 508366607 VVWVBRPZIHJPDA-DOTOQJQBSA-N 427.486 0.945 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508739416 KHJNYAFFYXRJDO-QZTJIDSGSA-N 436.557 0.557 30 20 ICED COCCN(C(=O)CNc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 510126166 ZQIGXEJTBOTGSS-AWEZNQCLSA-N 435.481 0.957 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 516334989 WXNZERWCAGKQRW-UHFFFAOYSA-N 436.553 0.450 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CCO1 519291399 YJWBUNCBRPKAGR-HNNXBMFYSA-N 433.440 0.176 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527030390 ZMVLPLTVCZBWEZ-UHFFFAOYSA-N 434.468 0.608 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035446 YUGZQBCHGRVMHO-FZKQIMNGSA-N 425.511 0.128 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 539374559 SPOXMTFILHGWCH-RBUKOAKNSA-N 446.621 0.989 30 20 ICED N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)n1 545497308 FVAROHCGQMKSOF-QGZVFWFLSA-N 440.485 0.055 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)nc1 551429020 TVHSVUIURKLRIJ-CQSZACIVSA-N 433.421 0.358 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 558963534 OKFUVCAJUYJRNZ-NEPJUHHUSA-N 438.476 0.969 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 559720285 OITXEMWRHMGAKD-UHFFFAOYSA-N 430.461 0.847 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 576334882 ZESAKYJUWRKPMM-LJQANCHMSA-N 427.549 0.677 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 578940274 AKEVNKYMWOLSNE-UHFFFAOYSA-N 430.486 0.620 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 580737200 WFHGBRKNAIGMDK-VQIMIIECSA-N 439.516 0.885 30 20 ICED C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 586858637 OSTYVPMMKPPCCS-MRXNPFEDSA-N 435.488 0.381 30 20 ICED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 588008901 BXKNXWGDQWVJDZ-ZIAGYGMSSA-N 426.420 0.804 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)nc1 604444495 JPEXAGREQNTCCI-UHFFFAOYSA-N 446.467 0.890 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1C 608911688 IPWRJHALVHZXHT-UHFFFAOYSA-N 438.553 0.882 30 20 ICED Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1S(=O)(=O)NCC#N 609411923 DTYZIVBPDXTPNY-UHFFFAOYSA-N 428.474 0.380 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)cc1 610690358 ULDGQRAWPZNCNS-OAHLLOKOSA-N 428.518 0.791 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)cc1 611175095 SXIDHHPVJINFHG-UHFFFAOYSA-N 435.550 0.059 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 726114112 JYEOTXNNHBWZTH-BAOKRACBSA-N 441.579 0.390 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 731862715 KNNMZDIIACJFPY-MXLIYFDZSA-N 432.502 0.872 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)cn1 732795318 BHWFXVPIWLSUNJ-UHFFFAOYSA-N 425.436 0.720 30 20 ICED N#Cc1ccc([C@@H](OC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C(N)=O)cc1 734565982 XFGGZSAAMSWJEX-LJQANCHMSA-N 445.453 0.768 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742143950 OQYHCZHWMRBSAB-UHFFFAOYSA-N 438.509 0.562 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743728437 QUOXCOYJTLSFJR-UHFFFAOYSA-N 433.511 0.537 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC 753013433 IZRVTAQWVFKANL-YJYMSZOUSA-N 441.506 0.968 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1O 762555050 RHXZGMBKYZUTOR-OAHLLOKOSA-N 447.513 0.797 30 20 ICED COc1ccc(CC(=O)OC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 770782858 ISXYIVHORCURNW-UHFFFAOYSA-N 437.518 0.790 30 20 ICED C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775329771 NKSAKTDPUPMZRY-PMACEKPBSA-N 447.557 0.905 30 20 ICED Cc1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 777188560 VDSHQDRCWWOFBF-UHFFFAOYSA-N 443.485 0.655 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCS(=O)(=O)C1 783480650 KZTNONYPGKOXML-KRWDZBQOSA-N 445.472 0.623 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)n1 789787643 ARZLGUHNPCVZMT-UHFFFAOYSA-N 437.460 0.014 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)n1 789795039 UIQVCSBLDHNUID-UHFFFAOYSA-N 432.502 0.924 30 20 ICED COCC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 790463780 GCQHAVAEWWMUKO-OAHLLOKOSA-N 432.543 0.709 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)CC2)c1C#N 806518921 ICCKDIUBSXVVCA-AWEZNQCLSA-N 447.540 0.668 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)c1 807545797 LKQNZWSNOPREAD-YSFPUWIGSA-N 435.506 0.162 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(=O)n(C)c(=O)n1C 807618107 IFHWOSREDGSWLO-JOCHJYFZSA-N 438.440 0.292 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2=O)cc1 808237333 LHGIPOLFIDYIIJ-QZTJIDSGSA-N 426.473 0.529 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCn2cc(CO)nn2)cc1 809875006 WJNMZPRPXABUDY-XLNRJJMWSA-N 435.510 0.795 30 20 ICED CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1293097378 IYYCUPCWHWWVDG-FQEVSTJZSA-N 448.524 0.727 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1492548259 WKGLVRVQCBJHBP-SFHVURJKSA-N 446.533 0.930 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1512395471 OXLAIBOIRIAUON-OAHLLOKOSA-N 425.493 0.874 30 20 ICED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1515881393 UVLYUTBCELHVQH-UHFFFAOYSA-N 431.522 0.425 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1545777403 ZJJFWPBOTNYJCH-WBVHZDCISA-N 429.525 0.936 30 20 ICED Cn1cc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1624983733 XHQBHZRWUWZIHC-SJLPKXTDSA-N 441.513 0.611 30 20 ICED Cc1nsc(N2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2)c1C#N 1673166155 LAFPDMUHFMGQTN-UHFFFAOYSA-N 429.510 0.899 30 20 ICED CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709837265 WJQUAEAKELSFSQ-UHFFFAOYSA-N 443.556 0.971 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1722758966 ODAUNZQWJWWZNU-ZIAGYGMSSA-N 425.559 0.885 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1723637089 TWKHYBBFFGVKNU-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729720035 MIJLFTZXZKQGMR-OAHLLOKOSA-N 434.508 0.796 30 20 ICED CS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1731020570 UVSPCLQJDGGIGW-CJNGLKHVSA-N 434.478 0.069 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)CCC1 1778381002 CBPMPBNYEQGLIO-NRFANRHFSA-N 426.477 0.154 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779645660 IXJMFDBWFGGNOZ-LHSJRXKWSA-N 447.492 0.475 30 20 ICED COc1ccc2[nH]cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c2n1 1780030293 CVGMEDHAXFXIFT-OPAMFIHVSA-N 440.456 0.787 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)[C@@H]1SC(=N)NC1=O 1780333903 AUCILLIRIGSIGH-NXPJVHOHSA-N 430.490 0.132 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781380203 IJUBSIUQCPVRCY-NRFANRHFSA-N 441.525 0.206 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1781400576 NNHXSULXJCZQEQ-JLTOFOAXSA-N 430.465 0.679 30 20 ICED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2)C(=O)C(=O)O 1781541705 WFRDRFJESJITSO-WZONZLPQSA-N 441.484 0.095 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1781784255 AEWLJBCFJQECTC-QFIPXVFZSA-N 435.440 0.998 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1781800887 GNNUOJPRJIJXBC-BFUOFWGJSA-N 437.447 0.914 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1782179031 GDHQCYDBYRKDJZ-IIDMSEBBSA-N 433.596 0.244 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782713493 SZASNBOONQTDNT-YLJYHZDGSA-N 430.567 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)C(=O)OCC)C1 1783227005 YYYFKXRCIPWBCD-LUFBEXLNSA-N 449.548 0.948 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1784010984 JYLFVYIVRPRXIO-SFTDATJTSA-N 436.509 0.492 30 20 ICED CCOC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1784072812 KKSBVNYVNNLERC-ADHGMGHFSA-N 434.489 0.424 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784485925 MESUNECVOCYHOV-HTAPYJJXSA-N 429.521 0.961 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784512242 LNDKMXOGMJYCKY-VGWMRTNUSA-N 428.551 0.445 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1788523141 ZSSFOEDMSVKSKW-BOSXTWCSSA-N 441.532 0.988 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1788573024 NSQXLVUIVFPNFI-ATIWLJMLSA-N 431.537 0.830 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677879 IGFHYXYUHZATSP-DNPYSEFNSA-N 445.545 0.705 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1791475332 NRBAAKOZSTYBJN-FHWLQOOXSA-N 428.489 0.827 30 20 ICED CCC(=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 1793246929 SNCXNHVSIRMMLI-XTGKAWNFSA-N 430.480 0.744 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccc1C=O 1795749948 BSIVTWDUTPRBCU-LJCCNALRSA-N 431.489 0.961 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)no1 1796415823 PAIZCBDXIKUDQD-CCWDJLKJSA-N 446.508 0.183 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1799397654 UGOOUVBRYHYRGH-KBMWQNTOSA-N 443.548 0.774 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3ccc(O)cn3)C4)c2c1 1799886487 YCGVQHBYVJNVQN-USGNIVHTSA-N 446.467 0.981 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)c1 1801533471 GOGVWICZTDNRFN-DEYWJSPQSA-N 433.530 0.952 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807048686 QYIVGXJXQSCAMI-VUHPKUFZSA-N 431.537 0.253 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807611731 YKHYRXGURGPGQA-RJWLHOEKSA-N 442.480 0.303 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1810097170 GXSLGGDXDVBSCO-SZVBFZGTSA-N 440.460 0.665 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1811192667 GGOGERJCAWZSBV-JCHZHDRDSA-N 435.484 0.893 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812391303 TXMFKNVNOWUHDQ-RYRKJORJSA-N 446.504 0.204 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NN2)[C@@H]1c1cccnc1 1812881197 WGESIBSWNJARPP-GREBRCKQSA-N 445.479 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)[nH]n1 1814439226 CSIKPXNPFYNGPA-VGHLEMBNSA-N 428.493 0.786 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2)C(=O)O 1815076275 IGUKTSYRQBTNGW-YPMHNXCESA-N 436.538 0.400 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049573 BNNHISQDRIKZPH-VGSWGCGISA-N 429.521 0.998 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1830224927 PFJZVBMGQCESRN-CVDCTZTESA-N 443.500 0.879 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831341515 SWDCZXAXBIPFEX-NRFANRHFSA-N 449.529 0.257 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831399567 XNHYNLHIKDAAKV-ZHRRBRCNSA-N 430.505 0.017 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1831424284 GTEOYLSKFPJVBX-NJNPRVFISA-N 432.521 0.930 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831522411 ABQKSBUCXPAXFX-AMHTUMDSSA-N 445.516 0.800 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831812158 WHSWWTNTGQHUNE-VGSWGCGISA-N 434.537 0.680 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832558535 YYDANNJFBVDDPC-AVRDEDQJSA-N 435.521 0.863 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)c3cccn3C)CC2)CC1 1833469130 WETGFDALLFEXFG-KRWDZBQOSA-N 428.533 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCc3cnc[nH]3)CC2)CC1 1833786703 FTCKZDNOPYKZAU-WAYWQWQTSA-N 442.564 0.772 30 20 ICED CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835130878 WGYPMWHCJAFTMD-UHFFFAOYSA-N 428.537 0.844 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnn2)CCO3)cc1 1836203421 CVVJCCZJZSPNPQ-QFIPXVFZSA-N 438.488 0.239 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836785040 VKKVQFKXGJEDSP-QFIPXVFZSA-N 426.473 0.801 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837010973 MNLWCUJWJVCYOM-FXAWDEMLSA-N 433.534 0.754 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1837394922 KYKUEMJLSYMVSX-VFNWGFHPSA-N 438.500 0.754 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837399650 YOXISCZCKIOLJF-QRWLVFNGSA-N 442.463 0.921 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3ccccn3)CCO2)C1 1837743743 SCYFCANAHRMMHT-IUKKYPGJSA-N 446.548 0.912 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568981 PYOMPQJSAIPHOA-JOCHJYFZSA-N 432.473 0.482 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1838906304 FXYVXIKPJHHJCL-HSZRJFAPSA-N 449.467 0.436 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839172620 WVIUGXVUSWSAQR-GHTZIAJQSA-N 436.461 0.279 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)ccc1F 1839186841 RBIRLUOOBFCLHQ-NRFANRHFSA-N 427.436 0.733 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1839453575 RZOGFHAWLYUGOG-AVRDEDQJSA-N 426.473 0.073 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715460 GHWRQGAUTBPVTF-OAQYLSRUSA-N 434.493 0.157 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1839811185 LLZDIWBRPWSOHR-VFNWGFHPSA-N 435.477 0.002 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1)C(F)(F)F 1839894429 BWASLQVPLYDDAC-CJNGLKHVSA-N 426.457 0.675 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840160419 GVQWGJIQRXBBOF-QKKBWIMNSA-N 446.529 0.322 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840173337 QUNUVZZXNOEVEQ-HXUWFJFHSA-N 432.502 0.711 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840227077 FDZGDJNKHZERPZ-XXBNENTESA-N 440.500 0.083 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410415 FDBIPHFHSGTCOE-JXFKEZNVSA-N 435.481 0.113 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813536 FHFQMKIOPCHVAR-OAQYLSRUSA-N 431.493 0.293 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1841789797 NPDQCMWDUBSROS-UHFFFAOYSA-N 435.477 0.040 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)NCC)C1 1844232193 JHCDLZIKRMHFCN-HZPDHXFCSA-N 449.552 0.814 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4C(=O)NC[C@@H]4C3)nnc12 431599078 YKRLIJQZDADSNI-CYBMUJFWSA-N 439.501 0.558 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 441712423 GMKWMIYHWPVQCK-HOTGVXAUSA-N 449.533 0.303 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 441958599 VGYKQSKQQVYYEC-AWEZNQCLSA-N 442.497 0.882 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)CC1 442272836 OPYNFZRATWRROJ-OAHLLOKOSA-N 438.550 0.705 30 20 ICED C=CCN1CCC(NS(=O)(=O)CCCS(=O)(=O)NC2CCN(CC=C)CC2)CC1 442955580 XVIUQQYGGFQDLQ-UHFFFAOYSA-N 448.655 0.516 30 20 ICED CC(C)(C)NC(=O)CNC(=O)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 448122977 BBOWADOHJXHBPQ-MRXNPFEDSA-N 436.534 0.759 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)cc1 463812472 ZVBCZOKIHPLTGP-UHFFFAOYSA-N 433.468 0.718 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 465198199 WJOSRHLALHHTAH-AOCRQIFASA-N 444.536 0.723 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 467421959 WYHLDICJTMMAMJ-UHFFFAOYSA-N 434.518 0.550 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)cc1 478725995 HEFHKYROGBSZJR-UHFFFAOYSA-N 435.484 0.383 30 20 ICED Cc1cn(-c2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)c(O)n1 484261875 PAOCTETZBDUEJC-UHFFFAOYSA-N 426.477 0.899 30 20 ICED N#CCCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCCO2 486252558 PZKKISZVLRZEGL-HOCLYGCPSA-N 433.486 0.740 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1 489026690 QHXJVFRMELDBNF-ZFWWWQNUSA-N 442.493 0.496 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 505890257 PUCBFISGHXPDBM-KRWDZBQOSA-N 432.550 0.728 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1 510665493 JLYRNKIBCZEGJT-MRXNPFEDSA-N 448.545 0.903 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 511725677 CMOPNMNBZLHQDT-SFHVURJKSA-N 448.545 0.666 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 513572903 JXSBYOQESAUNEQ-UHFFFAOYSA-N 440.591 0.987 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 514988724 GUVRTNIYYNZDSE-UHFFFAOYSA-N 442.544 0.778 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 516214528 MLPLYHBCFBMTPP-LJQANCHMSA-N 447.561 0.133 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CC(N)=O 522046064 VVAZWAGPXZQOJC-UHFFFAOYSA-N 442.444 0.257 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3OC)c2=O)cn1 523859817 HTGHYKDGJGMZGY-UHFFFAOYSA-N 435.509 0.906 30 20 ICED CCN(C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1)S(C)(=O)=O 533062508 PYGNIRAEDXXKMH-UHFFFAOYSA-N 438.554 0.249 30 20 ICED C=CCn1c(Cc2noc(Cn3nnc(-c4ccccc4)n3)n2)nnc1N1CCOCC1 544284251 LNELVSTVODWOGA-UHFFFAOYSA-N 434.464 0.976 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cnn(-c4ccccc4)c3)CC2)c1C#N 550211230 FVLRNRXMZDQGLF-UHFFFAOYSA-N 432.488 0.751 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1NC(C)=O 553002323 PCYSOOFTHZYUAH-UHFFFAOYSA-N 436.472 0.885 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 557414681 MFPQVGUYXHHVPX-KRWDZBQOSA-N 448.483 0.532 30 20 ICED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cccc(Br)c1C#N 565413742 IGBCAVSQEGRUBP-UHFFFAOYSA-N 425.330 0.431 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1C#N 579542800 BHLNFHZQUJJBOA-KRWDZBQOSA-N 426.399 1.004 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1ccccc1 604003745 CVNYXTXHASQGHW-HNNXBMFYSA-N 437.525 0.518 30 20 ICED N#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 609196394 GPVLXEODRZPWJX-UHFFFAOYSA-N 426.442 0.357 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCN(CC#N)CC2)o1 609328175 DUYKZCZBCZGSIQ-OAHLLOKOSA-N 438.506 0.714 30 20 ICED C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCOCC1 610027172 VTAONKIMRKNANJ-KRWDZBQOSA-N 435.550 0.542 30 20 ICED 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C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 787216072 JJNQOUOPQIPNDT-UHFFFAOYSA-N 432.521 0.545 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)COc2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 789840003 OMNPQRHWMQUAQP-UHFFFAOYSA-N 448.435 0.854 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c1=O 795196880 DUACTKWJAACGKF-UHFFFAOYSA-N 436.559 0.115 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 802557532 ADNDMEFCJQUXAU-UHFFFAOYSA-N 438.412 0.547 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 804748197 VYCXRPOSASKOBI-UHFFFAOYSA-N 444.492 0.808 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 816130318 HUWVQLABBSTHOT-NXPNQGMMSA-N 430.398 0.078 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 857749867 FITGJTBHIRPPDF-WFASDCNBSA-N 428.894 0.554 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COc3ccccc3C(N)=O)CC2)o1 915382523 RVONEQNBIOZZQE-UHFFFAOYSA-N 427.417 0.224 30 20 ICED 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C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1803549002 RKMJHHFVYZQAOL-FPAYPSAMSA-N 429.521 0.833 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)O1 1803647263 XMQWNZRBGSUSDQ-HBFSDRIKSA-N 440.500 0.894 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1804175276 DLVWTPQLVLJVQN-YJBOKZPZSA-N 434.518 0.550 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2c2cccnc2)CC1 1808405863 PCTNJVUHPSRPIC-PKOBYXMFSA-N 445.545 0.817 30 20 ICED C=CCSCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488993 FJEDLAILLKVKLA-UHFFFAOYSA-N 431.522 0.577 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCS(C)(=O)=O)[nH]n1 1814440532 WSOPELMORZEENH-ZPIQOJFGSA-N 437.522 0.695 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815209618 MFEYQDSAQHJLFX-HNNXBMFYSA-N 435.481 0.928 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819523475 NADLNTXQLMVFEK-OYZBEUADSA-N 443.529 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493255 DTWFKPMVNHJGCA-QWRGUYRKSA-N 429.458 0.895 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821715505 OKLSPUYVCVEYRO-OCCSQVGLSA-N 436.469 0.746 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1824490371 NMKYROHUPDAXNA-DENIHFKCSA-N 446.592 0.809 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1)C(F)(F)F 1831205127 HNDISEKDKCGQON-SFHVURJKSA-N 435.443 0.868 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831406758 DFBXFLNTVAHKHM-GOSISDBHSA-N 434.436 0.536 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831435340 PUQFDXPCMDVJTB-ZHRRBRCNSA-N 432.521 0.570 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831487474 NQUBWOIMQBENAD-AZUAARDMSA-N 429.583 0.120 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832468814 RQVVDVWFIMDWFO-HYBUGGRVSA-N 438.528 0.803 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(c3c(C)cccc3C)C1)CCO2 1832544297 XABBZTNLNGNJHW-CYFREDJKSA-N 439.512 0.746 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1832929819 WCTQOMAOTWLCCU-OAQYLSRUSA-N 443.435 0.702 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)C3(O)CCC3)CC2)CC1 1833065666 HMZMIOJCQOTHPY-OOFWQKGWSA-N 446.592 0.968 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834326373 AHKZTMNTVUTEEN-DTKOAWRHSA-N 435.481 0.019 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1834636040 RFOKUKYGHUFVNU-UHFFFAOYSA-N 441.532 0.597 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1834849624 IGJZFGINTRUNSZ-QFIPXVFZSA-N 430.457 0.172 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(=O)Nc4ccc(F)cc4)C3)C2)CC1 1835345288 JAPDBLSFUBHNNE-JOCHJYFZSA-N 444.463 0.914 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)o1 1836024792 GVACEJOCFIZGFA-KQBANSRISA-N 431.449 0.089 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836861651 ZSQFBSAPEAWJRS-VQTJNVASSA-N 448.608 0.659 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837394449 AXEASOSCQYSTMW-KUHUBIRLSA-N 427.885 0.971 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837440830 AGOXFLHSAUMKHK-JNQCIGHESA-N 439.900 0.870 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cc1O 1838906574 QXSVOYROESKENG-OAQYLSRUSA-N 425.445 0.381 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c(C#N)c1 1839133538 VDSLIYXAMQMYIY-WZONZLPQSA-N 443.500 0.602 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1839174217 NDGKPMHPDSSIGJ-QFIPXVFZSA-N 432.473 0.972 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840039728 GDDSHXHDLONTAA-BTYIYWSLSA-N 434.876 0.988 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040201 RLYBIVKARDGNGB-YCRNBWNJSA-N 442.468 0.343 30 20 ICED Cc1ccc2oc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2n1 1840041855 LBTHXNBMELBAEM-NRFANRHFSA-N 427.413 0.294 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc4c3CCCC4)C2)C1 1840042406 SWNFNGQTZLMFMN-OAQYLSRUSA-N 432.498 0.785 30 20 ICED CSc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1O 1840043276 OQXJQYAJCWYUKI-FQEVSTJZSA-N 434.470 0.272 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161277 JNZPFLKMGIKNLI-YCRPNKLZSA-N 435.546 0.791 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840433458 USZIBRWOQXULDB-XMSQKQJNSA-N 448.520 0.485 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c1 1840713710 ONKKCLWDXPVWTR-ZHRRBRCNSA-N 438.488 0.826 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840818886 CWFZLDVMVSXRNO-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881310 OVAZYAZVPTUEIE-IAYHDBKASA-N 438.502 0.591 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCS(=O)(=O)c2ccccc2)C1 1842743375 PXBNABJHYRMDNX-KTKRTIGZSA-N 445.541 0.912 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1848326580 NCGPMSKBTVWNSO-IRXDYDNUSA-N 433.534 0.582 30 20 ICED N#Cc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 62001984 WMCOTDRDAFQXAM-UHFFFAOYSA-N 434.499 0.896 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CCO[C@H](C#N)C2)c1C(=O)OC 436133013 RCNOXCTYXURQHY-SNVBAGLBSA-N 439.446 0.200 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCOC1 441918741 ATDXZCFLGAGZCD-INIZCTEOSA-N 445.516 0.741 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCOC1 441945490 HBOSBIPZNOWJLC-QGZVFWFLSA-N 441.553 0.911 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 460663984 VSVMLRAHJHEOTE-QGZVFWFLSA-N 444.455 1.093 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 480432650 AWLOWTLBJOFFKM-NSHDSACASA-N 442.544 0.511 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482158388 SLKXNEPQJQYBSA-QGZVFWFLSA-N 449.577 0.628 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@]2(C#N)CC2(C)C)c(O)nc1=O 484916027 CZJRNVVCCCYGAC-FQEVSTJZSA-N 434.497 0.509 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 498441454 LZECCIVTSFLHFW-UHFFFAOYSA-N 439.310 0.843 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCCC(=O)OC 501770532 BLSBHYXBZSPLAR-UHFFFAOYSA-N 449.554 0.499 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 503854625 KGVPSGVFVBNOGR-MRXNPFEDSA-N 439.453 0.562 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2ccccn2)c1=O 505655000 BNORRFLHJLLYKR-UHFFFAOYSA-N 448.552 0.715 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(I)cc2)CCO1 509320441 ASSLMOCCHAISEN-CYBMUJFWSA-N 437.259 0.729 30 20 ICED N#C[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCN1Cc1ccccc1 510161193 CVQSJFAHPIXHHU-IBGZPJMESA-N 431.504 0.972 30 20 ICED NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)o1 512173676 ZSYCRYGMIRGHPZ-UHFFFAOYSA-N 434.449 0.585 30 20 ICED CN(CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 524004892 KKZSMIUIVFGFKT-UHFFFAOYSA-N 441.513 0.626 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 524281061 DPUAAICBWMNVIM-UHFFFAOYSA-N 436.440 0.026 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C 524411560 HQGSGNZLOJVZIC-UHFFFAOYSA-N 425.432 0.910 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 531161844 KHKRMFWSKFCZEZ-CQSZACIVSA-N 433.896 0.542 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 531320667 YYYVONHBAKVKAG-UHFFFAOYSA-N 447.455 0.292 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OCCN(C)C)c1 535713666 KXOXCHQSSRRZMR-HNNXBMFYSA-N 431.518 0.877 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(Br)c1=O 539180877 QVKJJCLWCXXFMN-UHFFFAOYSA-N 445.277 0.702 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)CC1 540371718 LMOIOHFGGVFPCU-QGZVFWFLSA-N 449.533 0.537 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O 541165653 TUYJLOFVHSRKHM-UHFFFAOYSA-N 431.901 0.712 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 545892398 NMERHQJLVMGEES-GJZGRUSLSA-N 430.490 0.858 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1=O 546912538 HGLFFQKUVMHDKE-UHFFFAOYSA-N 439.472 0.699 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 550974162 PUDRMIYQTWZSFR-UHFFFAOYSA-N 431.496 0.908 30 20 ICED COc1nc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)ncc1Br 574468448 IWDNLWRWRQTBPD-UHFFFAOYSA-N 446.265 0.802 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 578557537 AVNTWOUQUVKCKT-SFTDATJTSA-N 431.496 0.890 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(N)=O 581526638 XGRCYALIJKPDLZ-UHFFFAOYSA-N 432.933 0.776 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 604155060 RKORJKMGAWXUAV-UHFFFAOYSA-N 443.441 0.938 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 608902154 GSJFKGVUNFYPOH-QGZVFWFLSA-N 428.518 0.990 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)CC1 609564925 HIGSMCMRTRLBDD-UHFFFAOYSA-N 442.501 0.403 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C 610054224 DCWAYGWNDQFTRK-UHFFFAOYSA-N 432.444 0.747 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 613103215 OCIIANGYFBMWFE-HNNXBMFYSA-N 440.460 0.955 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 613680422 UAAGRMSHONLBFH-UHFFFAOYSA-N 429.502 0.607 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 673736850 VWMHLORWMSMZEN-UHFFFAOYSA-N 433.534 0.744 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(=O)N(C)C)c1=O 684535093 HHPWQTKAODHXNJ-QGZVFWFLSA-N 439.537 0.805 30 20 ICED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 726106592 QNCOAAPGQRMCTC-LFWLKJPASA-N 436.559 0.780 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 729673557 VMRKVQNWMALEDM-UHFFFAOYSA-N 445.566 0.298 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861136 LZCBNCYLWYZZHL-RJCBAWPRSA-N 432.502 0.791 30 20 ICED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1F 735867197 SOUVYYJMTPYGAT-CQSZACIVSA-N 430.483 0.364 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 742140195 ATCZVORKQCBNNY-AWEZNQCLSA-N 430.490 0.161 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 743765743 LXUOANXNMPZQLS-QFIPXVFZSA-N 427.526 0.965 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746148380 BAJOJXUNCXWNMN-ISLYRVAYSA-N 435.481 0.098 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748575926 KYOIRPFIUCHVAC-CQSZACIVSA-N 437.474 0.213 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749862334 PCYSTGRMICJNAR-INIZCTEOSA-N 441.557 0.849 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758546074 VOJMPQRRUWCRIR-UHFFFAOYSA-N 439.541 0.357 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)c1cc[nH]n1 772124178 PZKVGSZNHNLQLM-CYBMUJFWSA-N 429.499 0.014 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCN1CCCS1(=O)=O 773114948 BZYXJNXMZUJUQQ-FQEVSTJZSA-N 433.486 0.730 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 787255020 CAKGJFKSXCILFH-LJQANCHMSA-N 430.472 0.515 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)c1 789813459 UBDCIWXUADJVKY-XLNRJJMWSA-N 447.517 0.476 30 20 ICED COC(=O)c1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n(C)c1C 800812247 AGJZLNMZYIZNGE-UHFFFAOYSA-N 434.522 0.897 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 808223168 REUUHSFERMGPFG-HXUWFJFHSA-N 446.511 0.909 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839263900 UGKWGADRMREJSE-UHFFFAOYSA-N 435.509 0.767 30 20 ICED C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 916157226 IBXWKKZMBMEICK-HXUWFJFHSA-N 426.454 0.971 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1OC 916924349 VVYLWRRMOVIMKC-INIZCTEOSA-N 435.440 0.876 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCc2ccncc2)CC1 1150247215 RUYINWWJPFAHRQ-UHFFFAOYSA-N 427.530 0.897 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1295165719 VPBWLMIYQWOIJU-INIZCTEOSA-N 437.547 0.875 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1299565625 WNWQYHPVAHFMLG-CABCVRRESA-N 426.543 0.776 30 20 ICED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1305270160 WMZVJPLFVBGUKB-QGZVFWFLSA-N 445.549 0.861 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1314645523 YVUJDLYUWPNGFD-QFIPXVFZSA-N 439.520 0.178 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CCOC2)cc1 1316533508 SHLJLJBZZLQLOX-LJQANCHMSA-N 433.490 0.115 30 20 ICED NC(=O)CN1CCC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1318447182 OJSHARBQBXFPEP-OAHLLOKOSA-N 435.550 0.351 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 1338977100 PITKMKYQCRSWRL-IBGZPJMESA-N 425.533 0.286 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359474693 WCBSSADVIAMDBA-KEYYUXOJSA-N 444.583 0.075 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1510195377 VRCCEEMJYOLNBR-ISKCDROXSA-N 434.563 0.877 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCN1CCCO 1546527857 SUGYACHRJXSZLQ-GOSISDBHSA-N 441.584 0.928 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1611711829 UGZIOWMHMRZCKW-HZPDHXFCSA-N 439.586 0.739 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C1 1698311438 VDKWMPYKRRTHLW-IRXDYDNUSA-N 431.522 0.274 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)C1 1706933434 FBSQITNRUQMZKO-LPHOPBHVSA-N 448.553 0.707 30 20 ICED CS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1731020571 UVSPCLQJDGGIGW-CZUORRHYSA-N 434.478 0.069 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778318069 YGQRIYPFKLUWCA-NRFANRHFSA-N 435.477 0.161 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1778881844 AYCBPTUMVLQCAG-BTYIYWSLSA-N 426.477 0.630 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779073200 MYNNFDHOAGFMGT-DENIHFKCSA-N 443.456 0.497 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779101248 IYBNPAFSCHNCTK-YIPJSWNASA-N 442.476 0.702 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779196702 SPVWCYMUQSNOIP-GTACMHHNSA-N 431.555 0.519 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237910 VOSSDJVTDGMOBY-SBUREZEXSA-N 446.548 0.690 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779416818 ZPGFDFZIMQBBRM-PJIZGREPSA-N 435.565 0.919 30 20 ICED COc1cccc(OC)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780314562 AJBMSWNLHSYDIE-VGOFRKELSA-N 430.457 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781934541 IUZUHKQTPCNSLY-YOXWTLATSA-N 444.444 0.602 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128018 KBJKACSDBDDORY-QRQCRPRQSA-N 429.473 0.832 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C1)CCC2 1782438350 INQDKVPXALLECY-ASPARNDVSA-N 445.520 0.881 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C)CCO2 1783049319 UHPIWAKEFFYBGL-JLHGSKIFSA-N 435.521 0.769 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1783900626 JDFLJGGZVZQKNP-KUHUBIRLSA-N 431.555 0.676 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1784016567 VXSNOALPFLQSQG-JTSKRJEESA-N 428.489 0.387 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785144769 FXNXWNHCHMJLLB-OIMABFAESA-N 428.489 0.299 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1785421094 KUJHPUFHYIMISJ-HTAPYJJXSA-N 433.505 0.808 30 20 ICED O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)=NN1 1788553224 DSNNEBZMKOUOAA-ZVZYQTTQSA-N 428.876 0.547 30 20 ICED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600216 DGIPVFUJYJPZOC-QEBSUHJSSA-N 435.554 0.645 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788606446 QWTUMWCOHUBHBT-MJCDZZSQSA-N 430.553 0.971 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789134776 DTZUCCJDWOLSAK-YDHLFZDLSA-N 429.502 0.899 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c(Cl)c1 1790230072 YQKRPLUCHAERMM-IKICRFKJSA-N 447.923 0.398 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790667800 HGUHRPATTJKROO-SFOIOBPVSA-N 447.601 0.920 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)[C@H]2C1 1791507444 KMJQHLSDCHSQDX-DKIMLUQUSA-N 445.520 0.458 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792895102 KOILEMPVONXRPC-IXDSVQAYSA-N 425.551 0.920 30 20 ICED 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)C1CC1 1792901553 MZHJOQGLAMONBR-YVSFHVDLSA-N 433.505 0.472 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@@H]2C[C@@H]21 1792994438 TYTGOOHPTYVEIO-KHWYTQFPSA-N 447.488 0.062 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793364343 RHOLETHJHVYPTI-ZCABQLJVSA-N 443.522 0.011 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794043309 MSUNXTNJFNNBEK-IHSNIMORSA-N 443.525 0.691 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c(F)c1 1794452262 QZZAKTHNLQBUEW-GISGIKCKSA-N 433.484 0.904 30 20 ICED Cc1cc(Br)cnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794966220 ZAOFSULKPWKRKG-DPIQGUFMSA-N 436.262 0.444 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC(=O)N(Cc4cccs4)C2)C3)CC1 1795408063 MCARCECKIUDFDY-GGXPGOJBSA-N 442.541 0.990 30 20 ICED Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n1 1795817863 UQEINZGUVSHBKA-HBCWATKFSA-N 435.444 0.572 30 20 ICED COC[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 1796390253 ISTUFJFITRAORI-SFNKJDCFSA-N 435.521 0.529 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1796445398 XWDUFMUUNFJDOY-GVBSGIKUSA-N 444.469 0.592 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797740545 QOXTXKMDWAFZAG-VMTASOTGSA-N 444.536 0.196 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1797810495 USZZPRZSOTZGMB-AACUENJTSA-N 436.421 0.920 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797909301 YNRRGDHFUKTFGY-ZMMAXQRCSA-N 446.548 0.450 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)nn1 1798371883 OWSOTWBOBQCYRB-HBCWATKFSA-N 447.455 0.750 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(Cl)c1OC 1798688229 QHHTXDBJWJUXEM-OLDVJPBNSA-N 448.907 0.805 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(-n4cncn4)c2)C3)c1 1798694921 HHMYNUZOAXDMEJ-XEMDLRDOSA-N 431.456 0.984 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccn(C)n2)C3)c(C#N)c1 1799237540 QNFOTWNGKARKMC-FEJSZKPUSA-N 437.500 0.675 30 20 ICED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325315 LFCMEGYNCOIJRU-XEMDLRDOSA-N 430.480 0.602 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)nn1 1799327733 WFGPFCDPMLBWQD-VPTLXERWSA-N 439.447 0.942 30 20 ICED C#CC(=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 1800452101 DRQRSKIQBYRGNZ-KYHPRHEASA-N 433.505 0.378 30 20 ICED CCc1nc2ccc(Cl)cn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775975 MOJLZNSYTQJTDD-DBWKPXFBSA-N 444.875 0.841 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccc(O)cc1 1801057956 AOAHWVMQNHLVQK-RHQLPXPBSA-N 441.528 0.202 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)n1cncn1 1801357989 FJCRQCXYKXFESA-FKAVDJNCSA-N 429.502 0.929 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1802578149 PLNPZCCNADVGTI-MZKRTTBSSA-N 448.527 0.795 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1803550617 PPQMNIQJNMIANL-CZAYHTPWSA-N 441.576 0.762 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803607256 AVFCEZHCZUQKQC-YSSFQJQWSA-N 430.530 0.967 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1810245621 AXCGDOVPNVHIRX-MJQMVNBJSA-N 431.537 0.253 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1810246744 NIGHVINKMSKEMQ-LSTDLKDCSA-N 431.537 0.253 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NN2)[C@H]1c1cccnc1 1812307644 LLVMHMIQQUJCGM-KKLQWCBXSA-N 445.479 0.942 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1812669737 KHCLPJYZXBCGTI-KSZLIROESA-N 438.475 0.949 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)C 1812873559 MGAAKNSYMPDPFF-NSISKUIASA-N 428.489 0.726 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)CCC1 1814050855 ANCWXECLCDFFBR-OTWHNJEPSA-N 427.505 0.432 30 20 ICED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333724 VQITVPFLUYKZDE-NSHDSACASA-N 425.474 0.903 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1821217126 HQHWFIQLCJSOTO-YVEFUNNKSA-N 435.437 0.333 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822685235 XMSAQVMTJMGSFX-BZUAXINKSA-N 433.578 0.729 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3C)C2)C1 1829762733 PNQQFWQPZZBYQI-ICTHTSFCSA-N 428.489 0.318 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)nc3)C2)C1 1831387322 OECXFNWBIZAEHN-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1831392228 CFSQQXPKWYUUQC-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1831393542 NDXCXQGXWNXCFA-SBUREZEXSA-N 441.484 0.865 30 20 ICED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)[C@H]1SC(=N)NC1=O 1831669633 VYDNBBQIJTXUFQ-DXCKQFNASA-N 434.518 0.497 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190678 IERIPNYZLAPFIH-LVGSUZFTSA-N 438.422 0.815 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1833800378 QJYYZFKNCLUIJD-FQEVSTJZSA-N 435.550 0.803 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834305867 FAMRUGKHYUMMRT-BROWTRMISA-N 433.465 0.076 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)C)CCO3)C2)cc1C#N 1834946118 HKEQSGHGNUENMA-HSZRJFAPSA-N 444.532 0.977 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1835283734 BLPCDAVXJRDMLZ-UHFFFAOYSA-N 441.484 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835682785 WBQCJBPFDSCJAE-QLDGJZPUSA-N 434.537 0.292 30 20 ICED Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835751441 SITJTSRLUXOUCQ-UHFFFAOYSA-N 442.564 0.997 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974127 OSJMIUXDOWESRE-VGOFRKELSA-N 430.505 0.328 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)CCC1 1837047829 VUGSOUQZSUUQNA-UHFFFAOYSA-N 431.493 0.231 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)c1 1837168943 CAGDTTRKJICYSD-NRFANRHFSA-N 435.444 0.313 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837269254 VVRWBRXTKSIABV-OAQYLSRUSA-N 432.525 0.544 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837440501 LOXIQJLFIHFDJG-XQLDGGAHSA-N 436.553 0.874 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837524265 DKBXAIXUOHLSGP-AGDXKCLUSA-N 433.465 0.076 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524609 CMZRKHYWQWLJEN-XZCAYTCKSA-N 449.508 0.328 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(F)c1 1838732633 XLEABPVQQLUREB-OAQYLSRUSA-N 443.435 0.813 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(C#N)c1 1839132447 HCOFBMFWURPHCH-HFJQGTKSSA-N 443.500 0.337 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839172624 WVIUGXVUSWSAQR-WIYYLYMNSA-N 436.461 0.279 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccon4)C3)C2)ccc1F 1839186468 VQFLMELSLQAISY-OAQYLSRUSA-N 428.420 0.998 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419534 GXOKMMZQIVCINR-KSFYIVLOSA-N 429.448 0.806 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421835 NYQGXLBHVHPBDC-OZOJFGJPSA-N 444.463 0.807 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839651999 XNDBHQOCEVTJIN-IBGZPJMESA-N 440.447 0.783 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667969 SOILGZBDJIJUTN-BSRJHKFKSA-N 444.532 0.869 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1)C(F)(F)F 1839893074 NNRQOZROEJDFNO-QGZVFWFLSA-N 435.399 0.404 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC4CC4)cc3)C2)C1 1840044957 JRCMLCZCQVEFSY-QHCPKHFHSA-N 442.468 0.633 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840161945 GSINJVMSAXDDHK-VBKZILBWSA-N 431.518 0.860 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434723 KXZGFGBPLHBXCB-PGRDOPGGSA-N 434.537 0.627 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840811358 IXGLUOPCNUOZDS-CVDCTZTESA-N 443.500 0.879 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)ccc1Br 1842909913 CKQYFMUWKNREHI-UHFFFAOYSA-N 445.321 0.978 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022310 OZQWPFYDJJBVMH-WSDLNYQXSA-N 444.561 0.567 30 20 ICED Cn1ncc2c(=O)n(CC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cnc21 31566560 IWLFXFUFOTUWTB-UHFFFAOYSA-N 431.460 0.519 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 106032645 IDOUJKAHIMLWPC-UHFFFAOYSA-N 432.444 0.735 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 409539150 RIXVAZNWMYGVLL-ROUUACIJSA-N 429.587 0.215 30 20 ICED CCOC(=O)c1cnn(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1C#N 440585848 ARGDUBFKHOQEGP-UHFFFAOYSA-N 440.503 0.656 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCSC 443550791 PPKMHABGPLRGBP-UHFFFAOYSA-N 435.546 0.986 30 20 ICED CN(CC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)S(=O)(=O)c1ccc(C#N)cc1 446337606 SIGMMNANRDQNEH-ILRDRHFLSA-N 442.497 0.102 30 20 ICED N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2nnnn2CCOCC(F)(F)F)c1 447342958 LPSHYUMLEOLAMS-UHFFFAOYSA-N 432.384 0.677 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)cc1 448521494 ONDCCMDCHLMHMX-UHFFFAOYSA-N 428.518 0.759 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 470322447 KELHVBWIOZXPNT-UHFFFAOYSA-N 445.476 0.924 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@@H](CO)C3)nnc12 470380159 UNWYQVXPYCZPGF-UONOGXRCSA-N 429.502 0.931 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 470823341 WTOAPXAYEOKWFP-UHFFFAOYSA-N 441.510 0.934 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CC1 477314202 AOOAOYFQSKQMLX-UHFFFAOYSA-N 444.444 0.654 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCN1Cc1ccccc1 478774482 QVDXWWZAFZQJJX-LJQANCHMSA-N 435.484 0.403 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 479011829 GBSFQHNJVCHPCI-UHFFFAOYSA-N 425.493 0.269 30 20 ICED N#Cc1c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2c(c1C#N)CCCCCC2 480087718 IJVXUVKFACBHLQ-PMACEKPBSA-N 429.546 0.764 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)c2ccccc2C1=O 480665584 YRFTWERIXWJTCM-ZDUSSCGKSA-N 426.454 0.637 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481155289 KTZQZPAYRBGXCF-HLLBOEOZSA-N 436.534 0.615 30 20 ICED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)N=c1ccn(-c3cccc(F)c3C#N)[nH]1)C2 485036846 VZVLVTRIGZAXDB-YEJXKQKISA-N 441.419 0.282 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)CC1 491076945 MLHOTGJUHXVJQS-MRXNPFEDSA-N 429.521 0.600 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 491259382 PAGQNQUDKWATBC-UHFFFAOYSA-N 441.532 0.616 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 500248547 BQHMPBXARFTBBQ-UHFFFAOYSA-N 445.451 0.492 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCCC(=O)OC 505104162 UTXXQMGSOOGLEK-UHFFFAOYSA-N 443.525 0.901 30 20 ICED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 506700351 LZPDJUKCBWQYBR-INIZCTEOSA-N 445.505 0.019 30 20 ICED CN(C)S(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1C(F)(F)F 508332394 MYOVLQUGIHDSQG-UKRRQHHQSA-N 444.435 0.728 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 509446221 HBGDMLJPHDMVLZ-LBPRGKRZSA-N 444.564 0.476 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513986056 WAYOTROIVFYNOJ-VBKZILBWSA-N 431.518 0.856 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 517109329 OQMLQIBRWRHXFZ-UHFFFAOYSA-N 429.458 0.433 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 517123246 QTMVKPNJKASTHO-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1 530323529 XBKTVGANRYXSAN-UHFFFAOYSA-N 433.511 0.865 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)cc1 533456361 LHVFYVJXDRPJPG-UHFFFAOYSA-N 444.517 0.885 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 540231666 KLXQGBMLUQHYMG-UHFFFAOYSA-N 448.505 0.515 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 556369988 VCVYUIFCSQUNCZ-LJQANCHMSA-N 426.565 0.202 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 559658166 XQGXNKRZBYQGIZ-LJQANCHMSA-N 434.562 0.976 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccccc3OC)CC2)CC1 560748469 QEHVDCHOTQHHNI-UHFFFAOYSA-N 443.548 0.227 30 20 ICED CCCN1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 574190796 OLWKHKKNOYOPCX-GOSISDBHSA-N 425.489 0.246 30 20 ICED COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1S(=O)(=O)N[C@@H]1CCOC1 576914826 CTJROIXJQUVNRD-CQSZACIVSA-N 438.487 0.830 30 20 ICED CCc1cc(N2CCC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 579415305 HNQDEYCUIBJSEG-UHFFFAOYSA-N 428.518 0.974 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 580847365 FZBYFQLPOUYZJF-GFCCVEGCSA-N 429.296 0.799 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1 582635216 MLQJLRNINQVUMD-UHFFFAOYSA-N 428.470 0.527 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 590983144 CKAZZGOKGOSMHC-UHFFFAOYSA-N 447.900 0.233 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C2CC2)CC1 590997304 CPMCLSXDNOIYMH-UHFFFAOYSA-N 438.553 0.920 30 20 ICED C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 604005088 WNGBABTUXBKHSR-MRXNPFEDSA-N 449.536 0.614 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCOC)cc1 605248510 OVMHCVJZJZMUFX-QGZVFWFLSA-N 438.550 0.659 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 610477034 IEABYYOXHRBORJ-LJQANCHMSA-N 425.551 0.865 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 675413265 ZNJRLJCAXILSOX-CVEARBPZSA-N 436.871 0.946 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)c1C#N 677651381 UBNDWPXHOYJJJT-LBPRGKRZSA-N 432.506 0.941 30 20 ICED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 742660867 NKIZKMIIRTYUMF-UHFFFAOYSA-N 432.520 0.447 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccc(OC)nc1 743728339 NTPBHTKBVVVHDZ-UHFFFAOYSA-N 439.522 0.873 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 747276422 BQGPKMZMTMHMJY-UHFFFAOYSA-N 444.351 0.904 30 20 ICED C#CCNC(=O)C1CCN(Cn2c(=O)n(CC)c3ccc(S(=O)(=O)N(C)C)cc32)CC1 747796424 PHWQDVOVEISDNQ-UHFFFAOYSA-N 447.561 0.492 30 20 ICED COc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 752572367 DGZMGBFLTNMSBI-UHFFFAOYSA-N 444.469 0.652 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 753651522 ALSGFQNWJJLMSL-ZJNRKIDTSA-N 426.495 0.138 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 758067048 FIYSGVGBSVNBKR-UHFFFAOYSA-N 434.380 0.302 30 20 ICED COC(=O)c1cn([C@H]2CCCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 762463274 LSHJJWLREDQBTH-KKSFZXQISA-N 437.460 0.998 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 767194548 RUNKYVZXPUGZIM-AWEZNQCLSA-N 440.522 0.571 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ncn(C)n2)c1 768992821 PDWVLXVEEKXNAU-ULJHMMPZSA-N 447.521 0.663 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774939645 YYBOKFOLZUDNAY-NSHDSACASA-N 447.391 0.391 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 776222169 BQYXXURPLWBVSC-RNIUGDJMSA-N 434.493 0.851 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(CCC#N)CCN2CCOCC2)C1=O 778457341 NHKOBQBLPZOMJU-JOCHJYFZSA-N 442.520 0.423 30 20 ICED C#CCn1ccc(CN(CCOC)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 789322685 NDWYJLBWJNNQPF-UHFFFAOYSA-N 433.534 0.854 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C#N)cs2)c1=O 794582685 YDOXIRXSIYREIS-AWEZNQCLSA-N 429.523 0.988 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@](F)(C#N)C3)ccc2F)CC1 800952774 JIMWPBXPISTUTA-SFHVURJKSA-N 426.445 0.756 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 807135250 IOOYCPCNHNJVAO-GOSISDBHSA-N 436.472 0.407 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCn2cc(CO)nn2)c1 809874104 HTOYQJLEKQOKAZ-XLNRJJMWSA-N 435.510 0.795 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 810773070 QFOREILREYXBFI-UHFFFAOYSA-N 426.516 0.759 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 812274754 KUCOFIJETCZQLJ-ZDUSSCGKSA-N 449.504 0.358 30 20 ICED CCOC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1 815535160 DMQQFEHBPVZEEM-UHFFFAOYSA-N 427.417 0.932 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)ccc1F 914657208 CEKLXEXVESKVRJ-OCCSQVGLSA-N 441.481 0.559 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCOCC1 915191360 GDCVBEHHYYAJKY-INIZCTEOSA-N 436.534 0.601 30 20 ICED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1NS(C)(=O)=O 918091776 DZBOKSGJSIWDES-GFCCVEGCSA-N 436.515 0.974 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142749352 VZLCZIGHDMQWSF-OAHLLOKOSA-N 449.533 0.258 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 1275043994 RPOQPKNGHUTCIS-UHFFFAOYSA-N 448.526 0.922 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1313107567 LTNQMPTYGGYDPI-UHFFFAOYSA-N 426.521 0.907 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1460233095 LYXGOHYIMIXYED-INIZCTEOSA-N 428.532 0.773 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1611332025 MHFJRHODGIGMKQ-WMLDXEAASA-N 445.549 0.941 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](CO)C1 1648914863 PVMHBTIJQMKKMF-QGZVFWFLSA-N 437.518 0.913 30 20 ICED C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1693845343 OQBNPMXEXVPKRW-KURKYZTESA-N 431.541 0.629 30 20 ICED CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)c1=O 1746361230 XLASFHMMNYUDDN-QGZVFWFLSA-N 448.549 0.777 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1762440610 PQDWFABEGCSOIG-FQEVSTJZSA-N 430.488 0.864 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1767576456 RMDVHGCTBLHWMT-OAHLLOKOSA-N 425.493 0.494 30 20 ICED CC[S@@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1768327226 BFJHRRKQQXVDLF-OHZJNBGDSA-N 444.583 0.120 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1=O 1769900910 SCPIRVFPBCKIDU-QFIPXVFZSA-N 439.520 0.178 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670466 HQGODZXOCWOYFX-RETMYHCQSA-N 431.493 0.802 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1778977868 ANZWWHNOBHXZTI-PGRDOPGGSA-N 434.581 0.169 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1779397324 WIAYMNVIBRVUOU-DENIHFKCSA-N 445.516 0.993 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779420953 AYUHKNSWMYWPHI-SSNBBSKJSA-N 435.481 0.772 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO3)c(C#N)c1 1781172424 PQUBEYASWYRJNY-HJPURHCSSA-N 442.516 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1781269454 SVVJLZZPGMLKAC-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1781271501 CKWZLLCRPCCDFY-CVDCTZTESA-N 430.501 0.929 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1781401113 VCOHIMICFPHPDS-LJPSSGMGSA-N 439.538 0.420 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1781469867 GDGJGWGEFBDZSX-QFIPXVFZSA-N 425.441 0.567 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781785630 XBFDJQKYROLWPU-KKSFZXQISA-N 433.530 0.877 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783932470 YYSSMYCVYGLQPQ-FCHUYYIVSA-N 445.472 0.383 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785169387 MYVOZZURQOIBMD-BVBHFADKSA-N 430.505 0.382 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)no1 1785376189 LONQYNQLKXCZKT-OAQYLSRUSA-N 425.445 0.701 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786857890 ILENEIZKOZGYDZ-BZSNNMDCSA-N 432.569 0.530 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1786859060 GWODTDABTHJFDD-BZSNNMDCSA-N 439.520 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C(C)C)n3)[C@H]2C1 1787666034 LIOROEKHZQURPU-ORIYOMJCSA-N 430.509 0.311 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccnn1 1788660778 LJWNTBBUDJYALT-DVBHBNPLSA-N 434.497 0.348 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21 1788661299 KBOPKZYVFNYCBS-QCHBEZIOSA-N 431.493 0.932 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)c1Cl 1789271365 RXZDKZHGUYBCCR-FSDCSDTHSA-N 430.892 0.941 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792133277 ZBWANELKCNONLR-QZWWFDLISA-N 449.508 0.038 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNc1ccc(F)cc1)C2 1792485722 PRVFJLZLYPHZRV-VLTQWEFMSA-N 430.480 0.686 30 20 ICED 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)CC1)C2 1793341050 IPOCMYVVLCRGFO-ZJPYXAASSA-N 449.548 0.919 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccc3sccc3c2=O)CC1 1794041741 JRDCMIODRNAAGZ-ZSBFGKGUSA-N 426.498 0.956 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC(F)(F)C(=O)O)ccc1F 1796352425 CTVHZAPOOFHPBC-ZSBFGKGUSA-N 439.390 0.939 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cn1 1797741296 ZTXIKIRLPZXEKN-OFISNVQSSA-N 428.537 0.823 30 20 ICED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)c(=O)nc1O 1798498790 NKWZCZMCISHAQZ-HTGJSKSQSA-N 447.492 0.425 30 20 ICED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1799664562 JQQAXKNGHSTCRT-REPLKXPHSA-N 430.530 0.540 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801161 KMKMBHQGNAULAB-DQEVTTJGSA-N 427.505 0.778 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC(F)(F)C(=O)O)C4)c2c1 1799882319 GADJXMLQTXNQBZ-DRXBFXEBSA-N 447.398 0.748 30 20 ICED 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 1800981208 KWINXNKCMLDYIJ-NIFZNCRKSA-N 431.555 0.170 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]1c1cccnc1 1803588095 OQQJXIBOUPJVJX-DDCCDNTOSA-N 441.532 0.861 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnnn1C)C2 1804373162 KLSUTDMYQIVFHK-QKPAOTATSA-N 430.509 0.984 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CN4CC(=O)NC4=O)C3)CC2)cc1 1806687891 GTLAAYAVJSLMHO-UHFFFAOYSA-N 437.500 0.884 30 20 ICED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695160 JNGXQDCDUBDHFY-JANYTLFJSA-N 428.537 0.282 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1 1814439507 NAWYHDWUSNFDAT-MWWKQMNYSA-N 426.481 0.942 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2 1825661218 KXXPYFOJWILYHE-CHWSQXEVSA-N 444.513 0.934 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1828268347 WMPNCPUUNJAABU-OCCSQVGLSA-N 440.481 0.962 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)N1 1828995748 PVCIXPZCDRUORV-SGASUCAWSA-N 443.504 0.916 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831186861 DCUOWLPQJNAIRS-SBUREZEXSA-N 442.516 0.851 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216459 RAALTWMAVGPQTK-DEOSSOPVSA-N 439.512 0.886 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4sccn34)C2)C1 1831397408 XKDVOWGFSAEIAS-IERDGZPVSA-N 446.529 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1831402508 JDCYAJHWFMFHQN-OPAMFIHVSA-N 434.464 0.943 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831485155 QBEDDTCQYYRTBC-PZJWPPBQSA-N 447.561 0.842 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833303969 GPVLSKCGINLFAL-JXFKEZNVSA-N 436.534 0.205 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1833469235 MWAMRTAPOXJSHD-VQIMIIECSA-N 439.578 0.174 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccn4)CCO3)C2)c1 1833978776 OXLWRAFJQAUPPX-NRFANRHFSA-N 425.420 0.871 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526086 DYZLQOTVSHVQPB-SFHVURJKSA-N 432.569 0.118 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1834734947 GGZGCDZTAMIAKD-HXUWFJFHSA-N 440.548 0.336 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C)CCO3)C2)cc1C#N 1834946119 HKEQSGHGNUENMA-QHCPKHFHSA-N 444.532 0.977 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1835575446 QRZJZHCMTSIRBF-CVDCTZTESA-N 441.532 0.123 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835674938 SLSTXVXXFSKDST-JOCHJYFZSA-N 446.552 0.091 30 20 ICED CCc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677405 HUVVHLWJVRRZGU-JOCHJYFZSA-N 447.536 0.897 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837305412 XNBXISVBMMSGJH-VGSWGCGISA-N 440.504 0.963 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1837391427 QMECVEXGFGOQIL-WMZHIEFXSA-N 437.581 0.748 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561474 NFPPNQPHECYYNL-ZYNADVRWSA-N 447.467 0.893 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1837664720 WCYXKXGJTRDBBN-GCJKJVERSA-N 439.553 0.086 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838275578 DOJQJAJVBQSTNO-PGRDOPGGSA-N 434.537 0.626 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2)C(F)(F)F 1838352261 JBENCTCUSRDQNR-KRWDZBQOSA-N 430.383 0.674 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423248 KRHAFKXXGBACRU-HRAATJIYSA-N 429.477 0.390 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838728879 JPFVXAUVHFDDON-UHFFFAOYSA-N 435.521 0.722 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904385 ANRSISIDFUBTMZ-FQEVSTJZSA-N 442.501 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1839174753 VHLXAJAXZNJYNF-QFIPXVFZSA-N 437.537 0.438 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424920 IBPNIBBRPDICKM-SPLOXXLWSA-N 448.907 0.806 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc[nH]n5)C4)C3)c2c1 1839487870 ZHMVDZLWPBUVNO-OAQYLSRUSA-N 435.444 0.541 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)C1 1839717970 UMYYVMAZXGWOBP-NRFANRHFSA-N 446.460 0.179 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840145696 OGTOHHZAPJIPTO-JKSBSHDWSA-N 433.505 0.726 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840483305 CTWSVKMJINWQRN-QHCPKHFHSA-N 436.468 0.850 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840840441 SLEPKXGYRLNQNF-JOCHJYFZSA-N 443.525 0.933 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1840842951 LNHTYZPEZWONFC-HJPURHCSSA-N 441.484 0.889 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1845251425 UBGGHMSVJHFPRC-LSDHHAIUSA-N 426.514 0.876 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)N1CCN(C)CC1 1846979887 PYQDPKPWMHOJPG-SFHVURJKSA-N 425.533 0.776 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 10933253 WSPXEELAWPBZIY-IBGZPJMESA-N 439.465 0.812 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 254677356 HXPLJMSJRFASSJ-UHFFFAOYSA-N 435.452 0.963 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 409517749 ABHSKIUOPAPVAP-UHFFFAOYSA-N 431.496 0.381 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(=O)NCC(F)(F)F)C3)CC2)o1 426127555 IXNFQZRZMUMVSC-CYBMUJFWSA-N 428.415 0.504 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 431319287 PZZUGIJVMZTGSH-OLZOCXBDSA-N 435.428 0.938 30 20 ICED COCc1noc(CN2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)n1 435107072 RLRGHJSYORLYQF-UHFFFAOYSA-N 429.481 0.927 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1cnnn1 441633730 LMNVFFZBJVAMON-UHFFFAOYSA-N 433.432 0.225 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 443473882 MHFBYLPHBLBOTD-CQSZACIVSA-N 448.364 0.814 30 20 ICED COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 447919144 UGFOBLSKHMRHEV-KRWDZBQOSA-N 427.461 0.920 30 20 ICED N#Cc1c(CCCNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn(-c2ccccc2)c1N 463324829 SBNWYHYEIGPTBU-LFGUQSLTSA-N 448.483 0.537 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc(Cl)c(O)nc2=O)CC1 468076619 CUNHLQVHRUZQEX-UHFFFAOYSA-N 437.865 0.007 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)c1 474261568 BCNMEYIZUHKPJW-UHFFFAOYSA-N 435.506 0.638 30 20 ICED Cn1cc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 480602696 BMGQVOGOESHISD-OAHLLOKOSA-N 437.909 0.309 30 20 ICED CCN(CCC#N)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 497432002 DRXHFDCUDSEEPL-UHFFFAOYSA-N 436.534 0.916 30 20 ICED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 503096232 RSZSSYKUZSDRQR-LJQANCHMSA-N 444.554 0.406 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505152788 MQXRZXQAWHVFAE-QGZVFWFLSA-N 437.460 0.093 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 506906737 CPVSOVZASMCQFD-OLZOCXBDSA-N 442.519 0.532 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 508922050 LWHMVENGNDJWJK-UHFFFAOYSA-N 449.470 0.859 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 533715211 BOUMZQHGXNCJJE-UHFFFAOYSA-N 437.468 0.490 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 544298672 DOXRRFLAVXVKGF-UHFFFAOYSA-N 445.476 0.118 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3F)c2=O)cn1 549191888 PAAATRZKGYSROZ-UHFFFAOYSA-N 441.488 0.520 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 551595730 IXSBUCFYZTXUEA-UHFFFAOYSA-N 446.485 0.828 30 20 ICED C=CCC[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 557900711 SQVNEXGKZVIQHQ-FQEVSTJZSA-N 428.533 0.813 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)c(F)c1 561784679 ONDXOHGUZFOWLE-JKSUJKDBSA-N 430.484 0.689 30 20 ICED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCCN(C)C 569151276 LPHPLQIXGPHHBC-HNNXBMFYSA-N 435.550 0.141 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 573469570 FFVCNELSVIZCNU-RDJZCZTQSA-N 442.563 0.716 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CCC2 576985091 UDZXEWBVXJPAHY-INIZCTEOSA-N 428.497 0.291 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 585704647 FRSHEHCZCMTVOR-UHFFFAOYSA-N 440.504 0.589 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCn2cnc(C#N)n2)c1C 588019276 FKBMVWVUVIYSNN-SJORKVTESA-N 446.533 0.324 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)nc1 608989982 BFPJAGKNRXMZOK-GOSISDBHSA-N 426.521 0.219 30 20 ICED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CCN2C1=O 611430309 WXMCCBVLZIVUPK-HOTGVXAUSA-N 430.534 0.425 30 20 ICED CN(CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 611869237 PRBBAVRZBARXJS-UHFFFAOYSA-N 438.897 0.734 30 20 ICED C[C@H]1Oc2ccc(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2NC1=O 728089600 VLGALRNKDJSYBP-LLVKDONJSA-N 443.437 0.871 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 728932836 RHCKLDXVCACTJK-QGZVFWFLSA-N 426.521 0.579 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1 734750032 ISHZXYYYARYLQQ-UHFFFAOYSA-N 445.461 0.694 30 20 ICED CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 739134782 CCGMMWGUKHTAJQ-IGCAKMCNSA-N 442.563 0.668 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 743629569 VZBNPOBPQABGHV-PGMHBOJBSA-N 433.494 0.431 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 746779554 JHNSXQIFAVLQDI-HNNXBMFYSA-N 432.502 0.811 30 20 ICED C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 757607445 XLELNJDQRNOOFG-PLEMRLBDSA-N 432.477 0.413 30 20 ICED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 759420313 RCALSUXCJABZHI-VHEBQXMUSA-N 449.533 0.947 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccn(C)c3)c2=O)c1 763437090 QUTHZNWDZDCAER-UHFFFAOYSA-N 434.521 0.908 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)n3ncc(C#N)c3N)CC2)cc1 767901819 ZMNVZOVATNDTBE-UHFFFAOYSA-N 446.489 0.299 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc[nH]n1 772516629 ATTPZWOBZZAJBY-LLVKDONJSA-N 435.387 0.893 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780206857 SPURJQJGMKCUOJ-CWTRNNRKSA-N 429.454 0.760 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)c1 783459297 OKDGBPMNHNQEJI-UHFFFAOYSA-N 434.452 0.897 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 784925168 SNIBANVXDOTFPB-UHFFFAOYSA-N 430.530 0.436 30 20 ICED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 785647490 MYDRXZLSZVKYSA-IBGZPJMESA-N 427.442 0.335 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 788810743 GZDCPNMTAMVNRU-UHFFFAOYSA-N 429.502 0.997 30 20 ICED C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 796457276 ZMVYIHNDKWIGDE-AWEZNQCLSA-N 445.925 0.996 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 804055661 OONBKGSLLGNREW-CVEARBPZSA-N 428.493 0.052 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2S(N)(=O)=O)ccc1F 805308353 ALHFSCQGYAKUIX-UHFFFAOYSA-N 427.479 0.867 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 807544035 STIAYLBHADABPM-CYBMUJFWSA-N 438.481 0.987 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)n1 809871563 JXVLPFPJJKSCRP-SFHVURJKSA-N 441.536 0.318 30 20 ICED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 810396092 YKXFWQBWFPVPSP-GFCCVEGCSA-N 437.489 0.901 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)c1 880449074 ZFMKJKNJPBGIFX-QHCPKHFHSA-N 430.468 0.995 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785511 HMWKSXXSHLMZLC-UHFFFAOYSA-N 442.501 0.927 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1=O 915794644 KEHJOIKDXNVSTM-UHFFFAOYSA-N 444.473 0.011 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 920408888 JZUWVBOAJPBZRH-KRWDZBQOSA-N 440.547 0.021 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1116040532 RAGRRSWQVDXGAD-CZIZESTLSA-N 428.493 0.304 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1157683464 VESBYYDUSRJAFM-CYBMUJFWSA-N 431.522 0.815 30 20 ICED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1287033392 NUBIMRXGRBHTNI-OXJNMPFZSA-N 436.582 0.593 30 20 ICED Cc1cc(O)nc(N2CCC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1471857793 YYRQGNIHQVYJPF-CYBMUJFWSA-N 430.490 0.314 30 20 ICED COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1504110032 NPVWWBJMDYNFBF-MLGOLLRUSA-N 438.485 0.813 30 20 ICED COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1504379737 RLHDNOOQTABUMR-MOPGFXCFSA-N 435.481 0.945 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1507853563 JWOPWLCJPBBCGZ-GFCCVEGCSA-N 444.924 0.897 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1554504013 QRMMVISJKIHUDQ-QRWLVFNGSA-N 446.533 0.750 30 20 ICED C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCO1 1612996348 ZOOIOHVCLATBMY-ZWKOTPCHSA-N 431.541 0.630 30 20 ICED COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619912744 KSIQZTCVTMWJBS-IBGZPJMESA-N 434.522 0.180 30 20 ICED Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1693331297 NWQBUOLQICMOGN-GXTWGEPZSA-N 439.567 0.933 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1698489690 ZHVMMHIHGWDLHA-OAHLLOKOSA-N 431.403 0.839 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1727231679 NZHJKHORFHOUSM-QZTJIDSGSA-N 433.557 0.772 30 20 ICED COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1771125174 TYIFQLRGQYVLFJ-QRWLVFNGSA-N 433.488 0.451 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779017780 VKQMEUJGLXTLQA-PIUNUONSSA-N 425.493 0.645 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017824 WCMWYKIZPHGYSW-WFIYKGMKSA-N 434.566 0.315 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779197870 OLHBLLOABCHRGY-OZOXKJRCSA-N 441.525 0.548 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccccc2=O)C1 1779518513 ARNWWPTZNZFAMJ-ISJRUSPKSA-N 429.517 0.962 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779555422 VVKTXSZXHRHOMN-SQGPQFPESA-N 427.567 0.571 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060104 KLSGRVOBVHJUHZ-BTYIYWSLSA-N 442.476 0.334 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1781797175 FWJJJSXXVJAUJF-FZKQIMNGSA-N 428.436 0.264 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860611 IQJRSZBRQFVAFM-SCLBCKFNSA-N 433.452 0.871 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782359740 WUTFFLRCDPBQER-OPAMFIHVSA-N 427.505 0.897 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1783163432 DQCBOXAWPPOTKX-DRSNIGMVSA-N 437.537 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1783531099 CJGKPPJERFCNRK-RVRDVXBQSA-N 428.489 0.537 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc([N+](=O)[O-])c1OC 1783563330 OESVKOGMAYFDKM-FQEVSTJZSA-N 447.400 0.144 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784012878 DUUJZYJWZHOBHO-XLNZFTOWSA-N 439.512 0.855 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1785420637 MHBOBXFUIVMCNN-QHCPKHFHSA-N 439.516 0.265 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1785574427 JWNABGHWFSIXSJ-HTAPYJJXSA-N 445.520 0.699 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c1 1786721151 JWMAPWUGSBNEPN-FKBYEOEOSA-N 440.544 0.803 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21 1786860175 XVFQAFLMKWSPOO-FNHZYXHNSA-N 430.505 0.973 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C1)CCC2 1788603488 FUJMGUVCZYROSN-ZRRIGXHUSA-N 442.564 0.974 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cn2[nH]cnc(=O)c12 1789345316 BMSFACSLCAHWQY-ZVZYQTTQSA-N 449.471 0.438 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1789890559 TZSJJFOCIZGIIH-KKUMJFAQSA-N 426.539 0.492 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795084535 CUJOQQHFFPFFEA-HGKCTWBKSA-N 435.525 0.042 30 20 ICED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598072 BRWHAHJONNCZLE-ALXJQNPVSA-N 432.525 0.015 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)cc1 1795772392 NESGFCYGWXBFOQ-IRJINJETSA-N 434.496 0.942 30 20 ICED Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n1 1795818187 UWIPKQAUCIMFJP-VPTLXERWSA-N 425.445 0.461 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796029707 IWRQQCKAHIXPGX-FZKCQIBNSA-N 448.524 0.867 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1797814984 FULKBCNXEKCDCQ-AACUENJTSA-N 435.437 0.655 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798433189 FMENHMSTKLDHJD-UZQYCHAOSA-N 444.492 0.866 30 20 ICED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325148 WLFDTJKQMWFIDR-CWPLJXCYSA-N 431.468 0.101 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803914042 VUAJVCHJOQXACN-CDMIOBSGSA-N 440.500 0.994 30 20 ICED 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)CNC(N)=O)C2 1804408903 CKYYKQIEUSEOSI-AHGCPEOQSA-N 435.525 0.762 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812641901 XQHZIPQLAHEMAX-LMMKCTJWSA-N 426.521 0.505 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@H]1c1cccnc1 1812875618 YXFXQPCIGMBLHZ-AOMKIAJQSA-N 432.440 0.620 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821468633 FAPRZZCOQQRXQL-NTVBDKIQSA-N 446.489 0.981 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1 1829635778 OTIDJSZBKHMDJS-CVDCTZTESA-N 440.500 0.083 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1830224939 PFJZVBMGQCESRN-XXBNENTESA-N 443.500 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1831390994 CXBOWAJZFLRNOM-QKKBWIMNSA-N 434.468 0.535 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3cccc(Cl)c3)C2)C1 1831392387 DCAFOGBZLDJGLV-GTCCEBARSA-N 449.935 0.835 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccon2)CCO3)c(C#N)c1 1834488802 CGLFXTHUHVKJTB-QFIPXVFZSA-N 440.456 0.868 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1O 1835339798 TVNYTTKRLHZPSJ-QFIPXVFZSA-N 429.473 0.703 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835480108 ZBJGGNIGTOOXQG-IBGZPJMESA-N 435.613 0.397 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732034 FCYAALWRTUHTHV-XQNSMLJCSA-N 430.557 0.472 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)cc1 1835788187 PEBKRIHUCBXRRA-OAQYLSRUSA-N 441.513 0.910 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1836874444 UZYGRVNOSVSUNB-HNNXBMFYSA-N 425.551 0.969 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1837402015 BXMGZGDCFJTWDA-HFJQGTKSSA-N 447.532 0.878 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837567422 JWESYLWIXBVEMI-RZZUAFPKSA-N 446.548 0.887 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1ccccc1=O 1837689433 XUGVGRQFJXHXPH-OPAMFIHVSA-N 439.472 0.379 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869223 HCADIYAWMRHLBZ-QGZVFWFLSA-N 447.580 0.958 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838305019 AMZXASMYKRVBAO-KUHUBIRLSA-N 426.901 0.735 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838737562 ZHJNXTDAAFWKGF-GHTZIAJQSA-N 432.477 0.544 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C)c1)CCO2 1838937386 DUNDVDABTBSYSN-XBKFQHLESA-N 427.501 0.923 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOCC4)C3)C2)cc1 1838950204 NVWWOFFGQRBOCG-HSZRJFAPSA-N 442.516 0.351 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)C1 1839106176 IDSKJSMNEFDUKS-JOCHJYFZSA-N 432.565 0.189 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CCCN1 1839123801 IFFGVWXSOOXIJJ-DHIUTWEWSA-N 442.516 0.536 30 20 ICED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487924 MFHUJKWRXGEMCZ-LHSJRXKWSA-N 426.477 0.099 30 20 ICED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)COC1 1839777529 VKRXANKAWIHLIE-HSZRJFAPSA-N 434.533 0.568 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839959331 HLKUVEQMZXCTQF-MZLICYQSSA-N 446.544 0.620 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1C(=O)O 1840158329 JGQDMAGNTPMOLM-ORAYPTAESA-N 440.522 0.551 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840160175 AOULCFBBVHSUQV-XIKOKIGWSA-N 440.478 0.387 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840164121 YJAIPGWHNNAZEN-RNODOKPDSA-N 429.502 0.823 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840227075 FDZGDJNKHZERPZ-CVDCTZTESA-N 440.500 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841401091 UMAWZSSAPXWQDH-QGZVFWFLSA-N 437.496 0.843 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1847069090 KYOYDHZAYFVBIK-MRXNPFEDSA-N 443.504 0.363 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cc(C#N)ccn2)CC1 29447632 SHIQNWZDYXNTGE-MRXNPFEDSA-N 442.545 0.470 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 60629527 VHWSHRUENYKWJN-UHFFFAOYSA-N 427.486 0.785 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cccc1N1CCNC1=O 427589301 XKPLIHCFYFWEBG-CQSZACIVSA-N 448.487 0.862 30 20 ICED COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N[C@H]1CCOC1 432640743 BKCMDFQZGFKFAZ-AWEZNQCLSA-N 438.487 0.830 30 20 ICED COC(=O)c1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)ccc1O 438245570 WRGWDZOIQMTBPX-UHFFFAOYSA-N 435.462 0.653 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CN1CCOCC1 442031770 VTBWQZNODACXAA-GOSISDBHSA-N 444.410 0.637 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 446916335 LEKMNOIUAJNLGH-UHFFFAOYSA-N 436.472 0.384 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 460952681 PTYMSPJGTXAXDA-GJZGRUSLSA-N 448.615 0.572 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CCCN(CC#N)C1 478303118 BCDIGZMEVWSRPC-MRXNPFEDSA-N 436.534 0.681 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 481021608 VQQXSSOCSYECMB-AWEZNQCLSA-N 447.521 0.891 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc1 484716270 TULRTJANOKPRMA-INIZCTEOSA-N 436.534 0.806 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1=O 499187676 JNHKFPSBQQKAGJ-ZDUSSCGKSA-N 437.250 0.539 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CCN1Cc1ccccc1 501590553 AYVXEBQKSMQXAN-IFMALSPDSA-N 439.560 0.840 30 20 ICED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 512964161 MSBBDWNYYADYKH-UHFFFAOYSA-N 434.500 0.663 30 20 ICED CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 517061135 WZWNGMJOAWXLIL-KRWDZBQOSA-N 436.515 0.751 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 522977852 RYFUNEIFHODHPE-ZDUSSCGKSA-N 428.445 0.498 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532342982 DSDOLZMYQSXKLO-LJQANCHMSA-N 433.578 0.806 30 20 ICED CN(CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 534105291 CULINVQVNRCMKU-PMACEKPBSA-N 442.541 0.930 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 539181874 JWHHTGAOCZYGIT-UHFFFAOYSA-N 430.490 0.807 30 20 ICED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 555248899 AFRRUPOBQGEEHK-HNNXBMFYSA-N 448.528 0.045 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2)c(F)c1 561784670 ONDXOHGUZFOWLE-CVEARBPZSA-N 430.484 0.689 30 20 ICED COc1cc(C[C@H](CO)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 566592198 JGWCDVZRPTYJDZ-KRWDZBQOSA-N 447.513 0.821 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(F)cccc2OC(F)F)CC1 571552790 DIKDKJNBBRIINS-UHFFFAOYSA-N 428.411 0.490 30 20 ICED Cc1nsc(N2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C#N 574369025 ZKMXOMFWESTNFC-UHFFFAOYSA-N 447.609 0.504 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574500411 CVEGPIBEBXBYTP-MSOLQXFVSA-N 434.518 0.769 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2F)c1=O 603793253 MSWOQXNFGVBJJY-UHFFFAOYSA-N 426.517 0.902 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1F 619695672 FSAOUALXJCNOSS-UHFFFAOYSA-N 446.504 0.173 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(CCOC)c2=O)cc1OC 725761988 CKQCSYSFZOBEJY-UHFFFAOYSA-N 447.513 0.221 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 728532828 LHHQOQSYNFWSMQ-UHFFFAOYSA-N 445.479 0.599 30 20 ICED CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725262 RLCXQEPVQRLGIE-ZLFSKHNOSA-N 448.530 0.973 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCCC(=O)OC 732798092 XHTPRWHHWZKMPF-UHFFFAOYSA-N 443.529 0.446 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 733150166 CVMQNTGEOKAKSR-FQEVSTJZSA-N 439.516 0.468 30 20 ICED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 740071552 NVKBKRWQMIDQIR-UHFFFAOYSA-N 438.531 0.400 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742499767 BWKJSVACQXCOEY-INIZCTEOSA-N 449.577 0.516 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCOC 748043129 RGSKWVJCFPMTJH-GDBMZVCRSA-N 445.541 0.928 30 20 ICED CCc1c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[nH]c(C)c1C(N)=O 748382840 UDYWSODYLDVWJH-UHFFFAOYSA-N 428.449 0.658 30 20 ICED C#CCN1CCN(C(=O)CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 748817384 XCEDBYQODQUYGE-UHFFFAOYSA-N 445.010 0.875 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)CC1 748822007 WKLMIHAJZXJGJG-OAQYLSRUSA-N 426.561 0.992 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)c1 750861989 JXZZNPSVAIGHPM-UHFFFAOYSA-N 448.589 0.955 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nc(C2CC2)n(CCC(N)=O)c1=S 756880673 AUXHUBFQYAHSGY-CYBMUJFWSA-N 427.538 0.997 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(COC)o2)c1=O 758051100 KXIVQXQCEIYHMR-UHFFFAOYSA-N 429.498 0.328 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccn(C)c2)c1=O 763433919 GMXCANMSSKVAIZ-OAHLLOKOSA-N 432.546 0.329 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCc3cccnc3)c2=O)cn1 772311636 GBDKRGIBYQTIHX-UHFFFAOYSA-N 434.525 0.874 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(Br)c2OC)c1=O 774543216 PECSKFUVZMSXME-UHFFFAOYSA-N 432.299 0.563 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)[C@@H]1CCCO1 776233312 VQRDKBGTANZCLZ-WMZOPIPTSA-N 432.502 0.378 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 783014421 PBWYBQUDINCHPB-INIZCTEOSA-N 438.554 0.182 30 20 ICED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 808171033 VGUUGPRFVZUDML-QGZVFWFLSA-N 434.518 0.451 30 20 ICED COCCOCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 808961460 SEASLQRAYLHMEZ-FXBPSFAMSA-N 440.522 0.559 30 20 ICED CN(CCCC(=O)O)S(=O)(=O)c1ccc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 884316201 MARHXYPOSJBQTC-FLIBITNWSA-N 449.485 0.465 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 913360778 FLCYYHKGYHMWIJ-GFCCVEGCSA-N 435.433 0.620 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918640552 VUPKMNCCMQBYLW-AWEZNQCLSA-N 442.563 0.436 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COC2CCCC2)CC1 919385858 VJVLSIHPGNZRFF-UHFFFAOYSA-N 435.502 0.894 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1303809032 OGJHGZBKYZZAPT-MGPUTAFESA-N 447.565 0.463 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1313988861 UMNSAZULTASSNI-LJQANCHMSA-N 439.520 0.490 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1554441779 JCDTXBGPMZWQRR-WBVHZDCISA-N 444.517 0.203 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1593885530 NRELLAULPMRLOQ-WCQYABFASA-N 434.950 0.182 30 20 ICED N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)C1 1620348003 JCMAFKHGEYZFHO-LJQANCHMSA-N 447.496 0.570 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1723934360 JMHLNOZCPOGKSF-KDOFPFPSSA-N 441.533 0.733 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1748293594 PSAHUQIEZSDASG-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCC1 1750967235 YJUIQNOBLNGUEL-OAHLLOKOSA-N 439.524 0.708 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1=O 1771137930 JRQXSKWSTQXVCB-UHFFFAOYSA-N 439.520 0.884 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778085252 IWXBUDSVUGQBHG-IEGUWTFLSA-N 449.548 0.848 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1778977867 ANZWWHNOBHXZTI-GCJKJVERSA-N 434.581 0.169 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1779074904 DRVAWQCFYBGGBZ-RWNOFTCYSA-N 437.562 0.935 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779267556 FZNQWBTUMTYAKA-VGOFRKELSA-N 431.489 0.749 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779601499 PWRSDGNHUFJPEB-IFLIKKASSA-N 446.464 0.304 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780061376 PLRHKWMZQHJVQK-OAQYLSRUSA-N 433.428 0.047 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062067 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ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839050604 KOJCGFSWKNRDDB-QFIPXVFZSA-N 427.505 0.668 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)c(C#N)c1 1839132422 FOGRMCIAAINHGI-REWPJTCUSA-N 443.500 0.745 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)c(O)n1 1839161894 YLCTYDOXPSMDGL-AOMKIAJQSA-N 446.504 0.110 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839683957 RXDUXEOFKCWJKU-QYWGDWMGSA-N 442.509 0.578 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1)C(F)(F)F 1839893394 TXSQJVCAHONDFR-SFHVURJKSA-N 439.394 0.918 30 20 ICED C[C@@H](Sc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040105 OBPJTPJRLPJKFK-IERDGZPVSA-N 432.498 0.712 30 20 ICED COc1ccc(Cl)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044086 KELVYMCXIVMYRY-FQEVSTJZSA-N 436.848 0.507 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)CCO2 1840747914 OWKPRUKYKVKWBE-QFIPXVFZSA-N 438.440 0.235 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1 1847089062 RNHGVZHKWAIMPJ-HZPDHXFCSA-N 437.537 0.892 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25173818 GJDGLCBVELISOV-SFHVURJKSA-N 436.534 0.568 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 430379097 NSPBZSSLJUDQJU-CRAIPNDOSA-N 439.509 0.756 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)cc1Br 433886899 FXRPIMALLKIRSM-UHFFFAOYSA-N 449.308 0.707 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)C1=O 440255641 AREDSEAJRDASJK-SFHVURJKSA-N 428.489 0.651 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 440879696 YRHODANYLDKSAC-UHFFFAOYSA-N 427.548 0.837 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 447451036 NGIPFUOCVCWUJK-UHFFFAOYSA-N 446.485 0.794 30 20 ICED CSc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC3CC3)n(C)c1=O)OCCO2 461379741 SAMINBYJCABUGC-UHFFFAOYSA-N 429.523 0.722 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 464956651 WFWBAAKVKZWEMW-HNNXBMFYSA-N 425.497 0.353 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469730671 CCDSJOVHVNBQEK-SFHVURJKSA-N 433.578 0.842 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 471039138 DPDVTLWVVRBWRG-XFIWCOJDSA-N 434.456 0.190 30 20 ICED COCCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471679866 QFMCERCUQUDHMO-IBGZPJMESA-N 428.537 0.385 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1C#N 472291691 AUCUBEUKUWENTG-HNNXBMFYSA-N 441.517 0.487 30 20 ICED CNC(=O)[C@@H](NC(=O)CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 475762334 TYPKKUQFAQZWRS-FQEVSTJZSA-N 444.513 0.799 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(CC)c2=O)n1 477013418 XBPLNBZQRHOMRE-OAHLLOKOSA-N 428.514 0.522 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 480938907 RLEMRSXAWYXSMG-CJNGLKHVSA-N 434.460 0.841 30 20 ICED N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480946858 CJGFHNCWALDBFB-UHFFFAOYSA-N 430.449 0.878 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 483123903 WGSMJVOTGCKSEN-DZGCQCFKSA-N 447.469 0.510 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 488661560 AFNXXBRQXOQLFZ-UHFFFAOYSA-N 439.542 0.246 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 491077138 FWELVHMBUXXGIT-IAGOWNOFSA-N 436.538 0.777 30 20 ICED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1n1cccn1 494041376 HOLVMHQBGHRXCP-KZNAEPCWSA-N 434.460 0.868 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505682279 CYGJKKXXLMBKGB-UHFFFAOYSA-N 433.603 0.980 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 507489577 XXZIEUUJZJSIPB-OAHLLOKOSA-N 446.533 0.817 30 20 ICED CC1(C)CN(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 564066561 JVKCNFUOVWLRGF-GOSISDBHSA-N 427.505 0.397 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1c(C)nn(C)c1C 573037070 KCLCDINVFHIZGN-KRWDZBQOSA-N 426.525 0.867 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 577270587 NXNZMEMVWTVUFV-UHFFFAOYSA-N 442.564 0.525 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3cnc4c(c3)c(O)nc(=O)n4C)CC2)c1C#N 578343841 RRUMBQLUWMKLKS-UHFFFAOYSA-N 447.502 0.182 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCOC)C1=O 726403566 LBJIDUAJTMRTJU-UXPDKRSESA-N 428.536 0.307 30 20 ICED N#Cc1cccnc1NCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 727777139 DRHLCQDWNYMMPL-UHFFFAOYSA-N 429.458 0.343 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 728534711 UHZYCSGAPNWFSV-UHFFFAOYSA-N 426.546 0.621 30 20 ICED Cc1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 731650072 ZKANWKNQLNUQOM-UHFFFAOYSA-N 442.563 0.036 30 20 ICED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732908530 NVGWHPAHPFNETC-DOTOQJQBSA-N 432.502 0.896 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735405794 RHIUXSOIVZVKAM-UHFFFAOYSA-N 428.470 0.999 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742522279 OSUHTGKAEJPIRT-HNNXBMFYSA-N 441.513 0.883 30 20 ICED C[C@@H](CC(=O)NCCCn1nc2n(c1=O)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 742551195 MHYGONJWDYYSSD-AWEZNQCLSA-N 446.533 0.405 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747922113 PPKBUBJNMXBWQJ-UHFFFAOYSA-N 449.577 0.694 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 754937079 IHGYSOJXLVGPOJ-QGZVFWFLSA-N 444.517 0.103 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 757600522 RTMJJQIJIKMLSR-ULQDDVLXSA-N 435.525 0.042 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 759243413 SXAJMFXSEAGEBT-OFTPVTLVSA-N 441.440 0.862 30 20 ICED CCc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 760400318 KJOMBTMXZRKRST-UHFFFAOYSA-N 447.517 0.728 30 20 ICED N#CCCN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 760945134 WIXKSRKBTKDHDL-GHRIWEEISA-N 428.518 0.765 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CCS(C)(=O)=O)c1=O 767890673 KLEUGXCYIMNSLY-UHFFFAOYSA-N 448.570 0.340 30 20 ICED NC(=O)NC(=O)C1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 769203700 QXWMSXWGKCSAGS-UHFFFAOYSA-N 435.506 0.375 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 769726183 ICIXSBGMBBFHMF-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CC(Cc1ccc(Br)c(F)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891271 LAULNBUFHBDYQJ-UHFFFAOYSA-N 447.286 0.883 30 20 ICED C#CCCN1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 776594543 LXUMAQJJIVWIST-SFHVURJKSA-N 434.562 0.675 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 783349859 COVBQRZPYVDSKU-UHFFFAOYSA-N 436.534 0.120 30 20 ICED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 784007380 FTYDOVCDQFDOLH-RYPAHKROSA-N 449.533 0.565 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C#N 788114646 RBRDLDIYVLMVMP-UHFFFAOYSA-N 441.517 0.378 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 789958809 DZVJWBRCGALATQ-XZOUCZQKSA-N 442.563 0.557 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CCN1Cc1ccccc1 806708417 KPNLFGTYOCYATM-RBUKOAKNSA-N 428.489 0.261 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)ccc1F 806863345 GFTWUAFESCOLST-UHFFFAOYSA-N 434.453 0.509 30 20 ICED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 810782849 ZSAQKSMAFHZFIZ-KRWDZBQOSA-N 426.516 0.902 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1Cc1ccccc1 812275281 PZPATYBQVNVGJE-UHFFFAOYSA-N 429.452 0.878 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)CC2)o1 915391011 BDTIHOWLEJMDLL-LBPRGKRZSA-N 443.382 0.457 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 918329287 OFOPQPJRBLEJFK-UHFFFAOYSA-N 444.513 0.738 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2CCCS2(=O)=O)c(C(F)(F)F)c1 918538531 IMJOEZDUJSTWFM-UHFFFAOYSA-N 425.410 0.808 30 20 ICED C=CCn1nnn(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1=S 919936318 OQSQUZJZDFTJJT-UHFFFAOYSA-N 438.564 0.964 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C(C)C 1297288612 ZETPTYVPVSPPEP-INIZCTEOSA-N 441.540 0.964 30 20 ICED CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1302808835 RLUVMPPZTXHOCK-XHSDSOJGSA-N 427.575 0.593 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1303404754 AWGJMDCKVZITGV-MRXNPFEDSA-N 428.541 0.639 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1([S@@](C)=O)CC1 1303850061 PWIXJFDTOPUBCF-MXPKFAPFSA-N 428.584 0.929 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CCC(O)CC1 1319091071 UKJIJRAYHHSOES-MRCUWXFGSA-N 427.505 0.969 30 20 ICED COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1517670978 QJYFFPBOSIDNJJ-UHFFFAOYSA-N 432.506 0.755 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539349556 PWMXVLXEUCDZBH-WFASDCNBSA-N 439.877 0.363 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1OC 1540593107 IUFMMHIMYJYDPC-UHFFFAOYSA-N 441.444 0.212 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ncc3c(c2C#N)COCC3)c1 1598021150 WZECOSVLZVYKQJ-UHFFFAOYSA-N 445.501 0.857 30 20 ICED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1619780379 ZXYSBWGRUVXSBB-IERDGZPVSA-N 428.493 0.828 30 20 ICED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc(C#N)cc1=O 1652063617 OUTLSYNGACYVRM-UHFFFAOYSA-N 431.474 0.937 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1708181418 PZOQLVXHGMEQNQ-HNNXBMFYSA-N 437.504 0.766 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1723963434 ZXUDADGEPRVBRL-WCQYABFASA-N 428.906 0.167 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1741944672 NSXQVVMSEMCRKJ-HUUCEWRRSA-N 425.559 0.491 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)NCC(F)F)c1 1750381499 VTLBKWGILBZSIR-UHFFFAOYSA-N 447.446 0.669 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863666 BLKCMILNEVNEEU-HJPURHCSSA-N 440.500 0.359 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)cnn2c1 1778525187 ZJGPIFNEKYFUNS-XOBIUNJKSA-N 439.520 0.953 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1778740393 KNVRIBOFYPAVBT-YTSMVRMISA-N 449.548 0.751 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779016086 MBAXQHPXXGCVLW-BLTFUYFMSA-N 434.472 0.698 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060774 KLWFYJYITOOEDI-UTKZUKDTSA-N 440.562 0.196 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1779184181 PDFQEHLJTZYIAN-YKSBVNFPSA-N 437.544 0.853 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1781044254 ZVPIHWITPWQDAK-CIEVZJJWSA-N 425.529 0.736 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1783564837 AVOCDKNBVSFTAW-JOCHJYFZSA-N 426.473 0.216 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCc3[nH]cnc3C)C[C@@H]21 1784486170 YIDJVTUDHCLHJX-DWRORGKVSA-N 434.562 0.969 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1785572044 HAOYDSJYZKGTHC-VGOFRKELSA-N 443.504 0.837 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1785572580 MXYQYZXVXRSSDM-BTYIYWSLSA-N 431.493 0.770 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788572729 HABWVBLSYBGWFM-OSMBCOQSSA-N 432.477 0.341 30 20 ICED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788739970 UOXMWTSVTQKVPL-OWSLCNJRSA-N 435.569 0.553 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791055512 FADQIRDOEOVQHZ-ATIWLJMLSA-N 437.537 0.913 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCn5cncn5)[C@H]4C3)c2c1 1791523054 UTCSLNHFTSRXSI-IEZWGBDMSA-N 448.487 0.710 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccc1C=O)C2 1792488807 WQHCODKLWCNLMB-RZKCCLDFSA-N 428.489 0.310 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836537 KTIRUVNDLLWVMG-QXGSTGNESA-N 449.891 0.346 30 20 ICED C=CC[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 1792889037 LBHAFMZJJRFINB-UHDSXZAQSA-N 425.526 0.674 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1OC 1794092218 YPFHGVWQVFQEEH-NOAIIALASA-N 442.516 0.471 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794108969 WSNYBLDZKVCSEF-JFILPPLUSA-N 429.477 0.132 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795589188 FRBKIOANBULXBQ-CCWDJLKJSA-N 431.518 0.543 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796371943 PXTQXWSWTLPTNQ-FDKIHUSFSA-N 427.545 0.864 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC(=O)N(C4CCCC4)C2)C3)c1 1798690703 KJNVJGBGJTZJLT-OPOADAIRSA-N 439.516 0.881 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799322777 GDRLRXPNBTZUCQ-OPMZPASUSA-N 430.480 0.698 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2C)c(C#N)c1 1799374038 VDVVGYVUFNOWHQ-YZIUBNRHSA-N 440.500 0.320 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c1 1800194264 CUKUIDHJYJQGFI-BBIADKPPSA-N 435.484 0.337 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(C(F)(F)F)n1)C2 1800773293 IUFUKUXKCXDRAO-KSPBDQMDSA-N 425.363 0.321 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1802125465 ZROAPFLWQPLOBQ-MHORFTMASA-N 443.504 0.596 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)ccc1F 1808560687 LBGWLEPRAYBGNJ-KKSFZXQISA-N 437.479 0.824 30 20 ICED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)CCC1 1815673529 RDONRZSARUJBPM-INIZCTEOSA-N 448.549 0.826 30 20 ICED COCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332693 UYCCXORCSFNQJO-JOCHJYFZSA-N 443.456 0.173 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cs3)C2)C1 1829762738 QCVMSSSTABQXPM-NYPGBQQYSA-N 433.530 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1829768821 JAZZQAJJMUPCTJ-ICTHTSFCSA-N 446.479 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1829770564 YKWWZSRKXVNCNX-LXHZQTKUSA-N 445.520 0.392 30 20 ICED COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830234263 PTEOVYKVNMJXQY-QHCPKHFHSA-N 428.485 0.944 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1830468607 PBNXJXPVMGUVCK-ZWCUEREDSA-N 432.904 0.919 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830678984 GRALZVCNOYRZCZ-NFPSEPLVSA-N 439.512 0.729 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831424090 DFMXKZGAFNMBQV-BTYIYWSLSA-N 429.477 0.619 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)[nH]1 1831853719 KWQGJBINIYPOIM-DTKOAWRHSA-N 435.481 0.317 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1832447046 PGZSGTKPDQORLL-CSODHUTKSA-N 440.562 0.951 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccs1)CCO2 1833152234 RZLJLGFEGOHFNB-QGHLFXPHSA-N 447.557 0.996 30 20 ICED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1834405770 QOMHUBXZGMSPNK-NRFANRHFSA-N 432.525 0.255 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1834446222 XCRUVLBPDFZLCZ-QFIPXVFZSA-N 430.505 0.189 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672128 CBPGYDYKEGHIQS-FQEVSTJZSA-N 433.597 0.919 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1 1834717077 LUGLWIYWANEBTQ-UHFFFAOYSA-N 429.569 0.806 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834798058 PEAPDTHYHTURBR-UHFFFAOYSA-N 425.493 0.016 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835341771 GADTTXZWXGFRLK-JOCHJYFZSA-N 448.520 0.613 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835348489 ZFJZUSJIPMOKCF-HSZRJFAPSA-N 443.500 0.972 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c(C(F)(F)F)n1 1835359962 RFPOMIISQAWCHQ-QGZVFWFLSA-N 429.399 0.813 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cc2C1 1835362610 PHVUCXTVCUTUSZ-NRFANRHFSA-N 430.509 0.092 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1837402398 AWXWGFRKVSQSNQ-XFQAVAEZSA-N 442.509 0.578 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837559754 GQXFLNCAHOFJDJ-XZEIMLRBSA-N 427.461 0.188 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)o1 1837562215 HXQMTDLQFLHFAZ-KQBANSRISA-N 431.449 0.089 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1838043127 GEGGUKATKGHOOG-HPARJBSBSA-N 443.504 0.765 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838498528 OQYMPPXAGZZXKE-VLIAUNLRSA-N 431.518 0.860 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c1 1838579452 LMLWCJQBLVFBDQ-KNQAVFIVSA-N 431.489 0.654 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c1 1839452117 HFYHKOGZGAWEJY-JOCHJYFZSA-N 439.472 0.871 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1839452960 HBBLUEWKPFWQJO-OAQYLSRUSA-N 426.429 0.944 30 20 ICED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1839831773 OGFVSBNJCCIJRV-OAQYLSRUSA-N 425.445 0.484 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839887882 LNVDLPXTDJPADL-SFHVURJKSA-N 426.420 0.767 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165096 VYOXKNQHKZXVJO-RAJXRTJSSA-N 445.541 0.671 30 20 ICED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840522991 BFVUYTRFZAJNBS-ZXRHXNHJSA-N 427.498 0.398 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840817250 OOSLZNPJHCPJQP-NRFANRHFSA-N 436.509 0.615 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1847046276 ZUGOMOVMYNGGRI-CHWSQXEVSA-N 429.539 0.965 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 43774415 MMPTYCKKAJOKNH-UHFFFAOYSA-N 431.518 0.861 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 410405752 ZHOOAXICZIPKLG-CABCVRRESA-N 426.543 0.692 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 437383999 IRTZDQCVNSTTQN-AWEZNQCLSA-N 438.506 0.663 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)c1 440498154 XDQIYRNEGPDEBD-SFHVURJKSA-N 433.420 0.733 30 20 ICED C=CCN(C(=O)NCc1cn(CC(=O)OC)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 441527739 ZKAYIXFUWIZBKJ-AWEZNQCLSA-N 425.453 0.886 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 446528577 GDBCVOKFVHLKCS-UHFFFAOYSA-N 448.487 0.828 30 20 ICED CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460584525 RBLMBCANHQVEDA-UHFFFAOYSA-N 447.455 1.540 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463630301 QHAWWEVFMAZGQO-QCFAMHMHSA-N 445.479 0.917 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc(OC)c1OC 478851253 HOKDDJKEJMOREL-AWEZNQCLSA-N 444.509 0.971 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)cc1 514312738 LOXOOWFNUJGAPH-UHFFFAOYSA-N 443.529 0.865 30 20 ICED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H](C)c1cccc(-n2cnnn2)c1 520914310 HKNRLNMYXOZODG-CQSZACIVSA-N 449.475 0.185 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccc(C(N)=O)cc1 521287587 ZHMFSQZOEKBTLY-UHFFFAOYSA-N 432.505 0.864 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOCC 522276338 DADKDLQLSNDIKR-UHFFFAOYSA-N 441.509 0.523 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOCC 523464588 CUCHPKOHTRAUQF-UHFFFAOYSA-N 427.526 0.910 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2)c1=O 523742958 CPAAYJJZJAYZAR-UHFFFAOYSA-N 445.541 0.991 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 524199353 WQQWLMKDVAHBRS-UHFFFAOYSA-N 436.468 0.984 30 20 ICED CSc1nc(O)c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1C#N 536078709 VNJSKMWTSVITSW-OAHLLOKOSA-N 427.486 0.713 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)n1 536976662 IJDSRUNZENOAJP-UHFFFAOYSA-N 425.493 0.882 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 550587205 HADLFSDRRCCRKE-HOTGVXAUSA-N 445.568 0.253 30 20 ICED Cc1cc(C#N)cnc1C(=O)NCCC(=O)N1CCN(C(=O)c2ncc(C#N)cc2C)CC1 556694997 LZKIHYACIRPHLB-UHFFFAOYSA-N 445.483 0.941 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1cnn(CC)c1 558459851 QKVRVDRRAQIRJM-MRXNPFEDSA-N 439.542 0.012 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CC(N)=O 564670988 AJMBBVGPPIXLPM-UHFFFAOYSA-N 444.900 0.824 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccncc3OCC(F)F)CC2)nc1 570886202 RUXJAHSHMJDGSR-UHFFFAOYSA-N 430.415 0.957 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 577675204 LAOBKGZQIURNQN-LJQANCHMSA-N 432.484 0.802 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 577771251 XKCPJOULVAVYAH-FQEVSTJZSA-N 441.532 0.346 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1=O 578177106 AZKOECCAMZUJHA-MRXNPFEDSA-N 433.527 0.495 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 589798457 AQIZHVALANNPFG-UHFFFAOYSA-N 428.489 0.873 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C 604270087 PITGNYWTBVUUEF-UHFFFAOYSA-N 448.570 0.024 30 20 ICED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 610761502 AUWYKBHGUBWKJM-ZDUSSCGKSA-N 436.515 0.704 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(S)nnc2-c2ccc(OC)cc2)CC1 729281619 KGONOQFJOTWQCW-UHFFFAOYSA-N 442.545 0.526 30 20 ICED CN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 733098322 MUOUZYJMWQQWMJ-RCCKNPSSSA-N 449.489 0.639 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCC(=O)OC)c(OCC)c2)CC1 733148929 PAXQIUWXFDNLCI-UHFFFAOYSA-N 431.489 0.534 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 733148981 RZWHXVXWMNXRCL-LJQANCHMSA-N 428.508 0.962 30 20 ICED CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 733670458 OTWAJQVTEUGIEE-CYNURGJPSA-N 435.550 0.848 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)cc1 737241063 ZUWPHRLMQPDGTK-PXLXIMEGSA-N 438.506 0.896 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742051637 XRZZOVLXFTXJID-AWEZNQCLSA-N 431.518 0.782 30 20 ICED CCN=c1nc(NCC)n2c(SCC(=O)NCC3CCN(CC#N)CC3)n[nH]c2n1 742186277 CLRMRGCKKPWMHA-UHFFFAOYSA-N 432.558 0.249 30 20 ICED C[C@@H](CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742481761 BJUZRFPSYXUBMD-HNNXBMFYSA-N 448.545 0.601 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 747278851 RPKZFPPYNLTPFJ-AWEZNQCLSA-N 426.564 0.391 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC 753013431 IZRVTAQWVFKANL-DJJJIMSYSA-N 441.506 0.968 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934733 CTAAJTIEXHNDLO-JMERFSKESA-N 438.506 0.438 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 765145822 OIUIDCXHJSLFIU-ZDUSSCGKSA-N 436.449 0.913 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCn1nc2ccccn2c1=O 766353514 PAMQWQFNJCZJCY-AWEZNQCLSA-N 429.458 0.668 30 20 ICED COC(=O)C1(O)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 770251524 XCSVVTSEPDNONC-HNNXBMFYSA-N 437.518 0.666 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2scnc2C2CC2)c1=O 782782556 HZSJBRVIEVRSML-UHFFFAOYSA-N 442.566 0.923 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 783547599 NSNISWMBYAMWSL-HUUCEWRRSA-N 430.548 0.815 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)n(C)c1=O 789475461 GCEMBJUVHSIKHR-OAHLLOKOSA-N 440.435 0.657 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)n1 789786792 AAQNHKNBTIJKMM-UHFFFAOYSA-N 438.488 0.968 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(c2nnc(S)n2CC)CC1)c1cc[nH]n1 789977651 XYILEQKPSAWEDF-UHFFFAOYSA-N 435.510 1.000 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794641075 CJGZQJRMCOSSPG-GDBMZVCRSA-N 428.514 0.179 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794647811 UVEPLPPTRDAQKP-UHFFFAOYSA-N 433.468 0.673 30 20 ICED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 807584469 AEWJIHRALURBKO-LJQANCHMSA-N 432.484 0.832 30 20 ICED Cn1cc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c(O)nc1=O 809124281 BQFJPTQGXDRUPO-UHFFFAOYSA-N 431.199 0.378 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1 810358784 LWAFGDWEOGECCK-UHFFFAOYSA-N 436.415 0.356 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)C1=O 815632883 AUEJOLAVWXHOST-INIZCTEOSA-N 444.492 0.154 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 916892595 NAPLQDKLWXUSDS-CQSZACIVSA-N 429.445 0.837 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 918095865 JHWLGQNNFXLEGA-UHFFFAOYSA-N 429.498 0.995 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920108175 PMIPJISFXLEMBS-BBRMVZONSA-N 438.462 0.467 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)C2=O)cc1 1115982317 QGQNZPIWQMGWBC-LJQANCHMSA-N 437.500 0.626 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)c1C#N 1254643815 ZLCUMIKUOGEROY-LJQANCHMSA-N 444.584 0.228 30 20 ICED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314559524 HYBXUYSMXBSFQS-WJOKGBTCSA-N 444.565 0.778 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 1320033230 WPKMVRZTDXQGGI-UHFFFAOYSA-N 439.559 0.194 30 20 ICED Cc1c(I)cn(Cc2nc(CS(C)(=O)=O)no2)c(=O)c1C#N 1324144630 CTVCYASBKRJBKG-UHFFFAOYSA-N 434.215 0.609 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1337108226 FUQYGFHYDMKYLS-HZPDHXFCSA-N 433.490 0.303 30 20 ICED CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1360791391 VWHLKMVIUFLKFH-FQEVSTJZSA-N 430.534 0.944 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1540998026 LIGOYDASFKLWRC-AOMKIAJQSA-N 440.504 0.937 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1555988684 LNDAVCVATWRPOD-SFHVURJKSA-N 437.504 0.767 30 20 ICED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)cc1=O 1639532430 KLYZUAORYXBJQQ-CABCVRRESA-N 426.452 0.718 30 20 ICED CCc1cnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1708967495 KKGCFZYFLHCTNN-NWDGAFQWSA-N 425.540 0.684 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723951931 FNOBNIYDNFBGIF-ZSZQSSIHSA-N 439.586 0.472 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1751193390 KFTGYFIMVIXERE-KUHUBIRLSA-N 434.522 0.548 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1751982693 NVRRXCGJXJWONG-HNNXBMFYSA-N 437.504 0.766 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CCO2)C1 1778969912 BPLIXXTVWKYESP-JWHHTLNTSA-N 438.550 0.192 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779106755 UQAHATCZZDWORE-XCKVFWMBSA-N 435.481 0.401 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779223393 VIFRKOYCWWRMRJ-CJHUWTACSA-N 440.610 0.941 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1781269746 KIKVVHSSGGNXRT-STSQHVNTSA-N 447.532 0.727 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccc(O)nn3)C2)CCC1 1781494038 BHVMJFYVSBOQKR-QVKFZJNVSA-N 429.477 0.769 30 20 ICED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1782199555 NXEOAOSDUXYRNQ-YLJYHZDGSA-N 427.567 0.748 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1782658088 UQWBJZFPCXJPPN-HSZRJFAPSA-N 435.484 0.578 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783340430 FMEVBAUWHBHNIM-FFDKCQITSA-N 445.516 0.949 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783662820 GRMPXPSMWSCASX-DEOSSOPVSA-N 444.528 0.938 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1783892797 GRMHWNVYIWDUGK-YUNKPMOVSA-N 442.501 0.333 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784019240 DUUJZYJWZHOBHO-IMWIBFENSA-N 439.512 0.855 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1788658028 KXEQWNRNYFYCKO-SUEYAYHKSA-N 445.520 0.918 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C[C@@H]21 1790792510 PTDDEVFFZAJLJJ-CKBXSBTMSA-N 449.548 0.607 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c(Cl)cccc34)C[C@@H]21 1791077798 WKYPNKDUOJJVAA-WHOFXGATSA-N 430.848 0.898 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312124 XNSLGRREXNKLNE-KKUMJFAQSA-N 435.443 0.627 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1792256513 DWRQPBAIMCMJCE-JONQDZQNSA-N 447.492 0.580 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2 1792490859 QGWYZCSCTHYFFZ-KULPGCBOSA-N 441.463 0.535 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Oc1cccnc1)C2 1792491353 OTCNCQNRPMHXQY-RZKCCLDFSA-N 428.489 0.297 30 20 ICED 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)C#N 1792630136 UGXYYQXCZXWFQR-QKPAOTATSA-N 437.541 0.368 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nccc2nc[nH]c12 1796237633 BYQWCDAPAQHDCX-MRRSSBBESA-N 442.476 0.690 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800544748 TYBRKCMLDZZOHS-MIFYACCESA-N 435.493 0.213 30 20 ICED 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 1800989748 QQEURTVNPZAYBX-MKOKDDGESA-N 443.566 0.266 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1801006530 CZFBVGITOVSZAW-QWUQOBSTSA-N 433.436 0.516 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cncn2)c(C#N)c1 1801360003 MHIOYSVQDAVYQT-HEFCWWFNSA-N 438.488 0.552 30 20 ICED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2)NC(=O)OC(C)(C)C 1801931964 BHBUTEXHVGAJNP-XLKGFZLASA-N 425.526 0.816 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803446559 PESQORCMKOZSGS-KNQAVFIVSA-N 444.557 0.231 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)C1 1804856187 WFOAPPMNRZYZRH-VRHVFUOLSA-N 428.533 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCS(C)(=O)=O)n[nH]1 1822969266 ZPCAAZCEIQYLCK-ZPIQOJFGSA-N 437.522 0.695 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824904897 VHUPGGNDIYYPQA-KRWDZBQOSA-N 448.520 0.667 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1 1829636422 ZYTRIAWATGPTCB-JOCHJYFZSA-N 428.489 0.213 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1830469619 CPEYPYYBJGWZCY-OAQYLSRUSA-N 436.892 0.157 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830670932 VFIZBFSKMREDSE-MAUKXSAKSA-N 437.493 0.537 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831418565 DBIQQYVZCMZEHB-JTSKRJEESA-N 443.504 0.479 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303614 MGVKJCJMPWFXIV-XUZZJYLKSA-N 425.529 0.988 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cncn3C)CC2)CC1 1833076107 WEMCABMUQYVWBC-PLNGDYQASA-N 428.537 0.464 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CC)C3)C2)c(O)n1 1833696041 PKEGOSAUVBTWAJ-AVRDEDQJSA-N 433.505 0.747 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1834766939 GMIMOGDEXQODOA-LJQANCHMSA-N 431.474 0.109 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834769036 WSRBGLIDFJDEGF-NPFVIJTESA-N 448.520 0.756 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834949490 NYGMZUCQWVJSAV-HSZRJFAPSA-N 444.532 0.804 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1835359845 LPNQJYKHNOSZRG-FQEVSTJZSA-N 446.416 0.697 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCC4)CC2)CC1 1835572755 LCPBNXXCLLUOIN-UHFFFAOYSA-N 427.505 0.493 30 20 ICED CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)co1 1835678128 ZHCHBBXJQWGJFW-NRFANRHFSA-N 433.509 0.589 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835779414 MFLJTRIVGUJOOB-LPYMAVHISA-N 427.509 0.712 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)n1ccnn1 1836513867 XLGFDNXUFLGTRX-QGZVFWFLSA-N 444.584 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837858882 JHXTXVSADQKDBW-YOXWTLATSA-N 448.907 0.663 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)cn4)C3)C2)c1 1838735919 BGWUZQVBNOXYRA-NRFANRHFSA-N 427.436 0.733 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)nc4O)C3)C2)c1 1838905796 AEHOQVXHMWBJMJ-NRFANRHFSA-N 439.428 0.143 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224759 YFDSLZTWFRLFDP-IIBYNOLFSA-N 434.493 0.961 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn4nccc24)CCO3)c1 1839539090 APQFTVZKTLTCHT-QFIPXVFZSA-N 434.456 0.918 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1839761458 KNANVJVRQXYTMM-IIHIVLJSSA-N 447.488 0.498 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839880599 WAAUXQZFWQMCDK-OPAMFIHVSA-N 428.489 0.461 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c(O)n1 1840831467 RDTPVTKPUGAMQB-QHCPKHFHSA-N 443.500 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843215172 OWWLIZVXIRTXPE-FPLPWBNLSA-N 446.529 0.302 30 20 ICED O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258386 UUIABCDURDNKPK-AQXNZCSYSA-N 442.520 0.668 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1847068599 FADJSCARGXJIHA-KRWDZBQOSA-N 434.537 0.439 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847436462 VOGCXUHXXCXXDZ-ZKIDJSGLSA-N 443.544 0.941 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 15527666 PBWWDNIUCIIIAM-CALCHBBNSA-N 444.513 0.566 30 20 ICED Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c(C#N)c1C 27944516 KZGPNZUWKJVRMY-UHFFFAOYSA-N 431.474 0.391 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 435949297 LQMCXADVRRAPMT-OPAMFIHVSA-N 427.457 0.988 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2nn(CC)c3ccccc23)c1=O 471988464 KCUUJEVCNPEKDT-UHFFFAOYSA-N 437.525 0.661 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477184796 DBGUPVYUEFMRPG-UHFFFAOYSA-N 434.474 0.573 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@H]2CCOC2)cc1 485174428 QLCHZJKKOXOIAV-GJZGRUSLSA-N 425.507 0.193 30 20 ICED COC(=O)C1(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS(=O)(=O)CC1 500238523 QNPRCNVUXPAANL-MRXNPFEDSA-N 434.518 0.715 30 20 ICED Cc1nccn1CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 503075527 MOOSKEYADAZVNF-UHFFFAOYSA-N 444.561 0.918 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 506925297 HRXFFXIVARYINZ-UHFFFAOYSA-N 449.533 0.944 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1 509824803 IHYNZZNABGJJPD-LLVKDONJSA-N 430.433 0.981 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 511759317 GXUPRNLQOJAYML-CYBMUJFWSA-N 436.538 0.769 30 20 ICED CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cn2)CC1 514518662 IDCXMFGXCOGVQJ-UHFFFAOYSA-N 442.545 0.955 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2OCC2CC2)CC1 514809615 FKARXQHQJJLWSD-UHFFFAOYSA-N 428.533 0.846 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 518203547 HKRPLKMFDNCFJL-GOSISDBHSA-N 434.456 0.142 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 520243701 DAMRKTGEINTIBC-UHFFFAOYSA-N 435.550 0.238 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 523089442 ANPVSLYBPSVVFM-UHFFFAOYSA-N 449.479 0.586 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 524284615 GTDPWPXLULGATN-UHFFFAOYSA-N 444.469 0.789 30 20 ICED N#Cc1c(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)nn(-c2ccccc2)c1N 538829602 BVHHFBYWIZVVCH-UHFFFAOYSA-N 425.474 0.731 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 550585496 PNKLQFFOGPCRLZ-UHFFFAOYSA-N 448.451 0.986 30 20 ICED Cc1noc([C@@H]2CCCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 552268353 GCDCSUJJRIJYIC-KRWDZBQOSA-N 444.517 0.920 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](Cn4cccn4)C3)C2)c(F)c1 558040537 LJDJOTWTUKNPEQ-ROUUACIJSA-N 440.479 0.906 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 559440221 OORGXKJGTUEFJG-NHCUHLMSSA-N 427.549 0.696 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1Br 563968149 XLGRMHMXEKJWIJ-LBPRGKRZSA-N 436.310 0.963 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O 582215982 RFQZPEPYRCHFJH-UHFFFAOYSA-N 440.525 0.213 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582815902 GWAWZULCZWCLPN-CQSZACIVSA-N 425.449 0.173 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCOC2)O1 587666721 WHNCYGCRQBWCAK-GCJKJVERSA-N 427.505 0.835 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 588077358 SHIOOUIQLMEIAN-UHFFFAOYSA-N 433.534 0.831 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)CC1 588093455 LOQJCOXEYQAJTJ-UHFFFAOYSA-N 429.521 0.674 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(OC)nc1 608883951 MZGYZNAPIAYKDJ-UHFFFAOYSA-N 436.493 0.869 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccncc2)c1=O 609563933 FJZUJBQQXMOMIV-UHFFFAOYSA-N 430.555 0.420 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 619106811 ARAADOPWZGQNSY-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 728880758 DEWBGHZERROMMO-UHFFFAOYSA-N 449.577 0.518 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC[C@H]2CCOC2)C1=O 731560357 SBWKAQVYZSCPOW-XJKSGUPXSA-N 434.518 0.906 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN([C@H](C#N)C(C)C)CC3)C2=O)cc1 731846580 JREACBJVUMJUQN-XMSQKQJNSA-N 442.520 0.659 30 20 ICED COc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 734912108 PNWMNRWXACUGMM-UHFFFAOYSA-N 444.469 0.652 30 20 ICED C[C@@H](CC(=O)Nc1ccn(CCN2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 742652888 DEKKTUPCQYGNEO-HNNXBMFYSA-N 446.533 0.671 30 20 ICED C[C@H](CC(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497085 QJFRJJIMWVZSIU-DOMZBBRYSA-N 431.474 0.586 30 20 ICED C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 746046701 QMWLZGFLBYFWNX-CVIUTVQRSA-N 435.550 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 758069339 OTZNWVWUZCPGIX-HNNXBMFYSA-N 425.510 0.344 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758088699 LACSLSXVIXIHJU-WBHUJUFNSA-N 445.925 0.965 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758559339 YWWGKCCVPTUSBM-UHFFFAOYSA-N 441.557 0.581 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCCCC1 760401921 QSKJAOOAUZCIAB-UHFFFAOYSA-N 445.519 0.834 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1F 763436659 KAPIDESUCPGCAL-UHFFFAOYSA-N 426.473 0.642 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(Cl)c2)c1=O 766611126 DBPQXVPVDUEWMJ-UHFFFAOYSA-N 427.913 0.867 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 766988567 QDUZAZZVRJSGQB-UHFFFAOYSA-N 449.441 0.567 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 767841195 XJLJQJAQJDXTPE-RNODOKPDSA-N 441.469 0.723 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)Nc2nncs2)CC1)c1cc[nH]n1 772121211 HSYFNIPHJRLLDK-UHFFFAOYSA-N 435.466 0.422 30 20 ICED C=CCS(=O)(=O)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 772711052 SRUJRAODCRPTNO-UHFFFAOYSA-N 443.547 0.240 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(O)nc1=O 780216949 FVCIXUZZJQZLHV-KRWDZBQOSA-N 443.460 0.833 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 780300613 GNSFGEUUXVHHAK-UHFFFAOYSA-N 434.547 0.684 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCN2CCNC(=O)C2)C1=O 781104001 IHAKNWWUMSRXBK-INIZCTEOSA-N 449.533 0.203 30 20 ICED CN1CCCN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 782904730 HRVBBDBQUXUNEA-UHFFFAOYSA-N 442.564 0.841 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1ccccc1 786271719 WRDHKMJITOVGEA-AWEZNQCLSA-N 429.454 0.767 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787553824 SCEJLYAUJHPBMM-ZDUSSCGKSA-N 437.474 0.636 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)n1 787856560 PVCQATDPZOYMOF-UHFFFAOYSA-N 425.489 0.510 30 20 ICED COC[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)C(N)=O 791783502 IILVROKQXGDZFP-OAZPQLMHSA-N 425.511 0.901 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2)cc1 793194569 PTMFKPZYDJSBGR-UHFFFAOYSA-N 436.515 0.709 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C 796990319 BEJIFDBVBDLZPA-OCCSQVGLSA-N 434.453 0.178 30 20 ICED C#CCC[C@@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 799082174 WWXNBQZKPHFNNI-GOSISDBHSA-N 435.546 0.499 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 810480484 CPBUJMKJQZQXHD-IXIHTFQWSA-N 434.518 0.810 30 20 ICED COCC1(S(=O)(=O)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 811160595 MUAKITORWKURSW-UHFFFAOYSA-N 443.547 0.911 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@@H]1CCCO1 815575319 OOZFRLYJLDWJSK-ZBFHGGJFSA-N 449.410 0.924 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 831748907 RJSDJSCGTSGNQE-ORAYPTAESA-N 438.506 0.909 30 20 ICED COCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918291634 SYCCQCOIMWOCSF-HEHNFIMWSA-N 440.522 0.559 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)nc1 920187094 CHIWTWKDONPXMZ-UHFFFAOYSA-N 442.501 0.355 30 20 ICED COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1315557857 MVGBCHPQSUFAQI-MOPGFXCFSA-N 435.481 0.945 30 20 ICED N#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1321942416 YKTMMZVTLKSIFO-MRXNPFEDSA-N 442.519 0.255 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359143040 SOOVFZLZWQGHTH-QJPTWQEYSA-N 427.980 0.899 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC=CO1 1360707361 CEAVHTZKJMHTOC-USXIJHARSA-N 435.554 0.758 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453949842 MFBSFMPBTAZGJX-IFXJQAMLSA-N 431.518 0.931 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1512580920 NULPWBGNDOBRMP-DKICVRJWSA-N 447.517 0.617 30 20 ICED Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523851355 DKDKMCWVPRLMAQ-INIZCTEOSA-N 439.515 0.114 30 20 ICED Cn1c(=O)c2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)n(C)c2n(C)c1=O 1611457141 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0.231 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)C[C@@H]21 1791076665 CKLUIVKOZYPSPG-ROPJJIDOSA-N 426.494 0.942 30 20 ICED C=CCC(=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 1791276398 HSYLFMFOCIAWGW-JCECYMMASA-N 437.537 0.770 30 20 ICED 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)O)C[C@@H]21 1792266754 QLIQKAAGETWWMW-ZQBOXKTLSA-N 437.537 0.816 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](S)C(C)C)cn2[nH]cnc(=O)c12 1793383246 RCTIXIBOCGZHEZ-YXPYIKCWSA-N 433.534 0.489 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086305 XDZMHWCAHDICKJ-FBKAWLDUSA-N 430.486 0.677 30 20 ICED 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)CN 1795518726 ORBLEAJBIQVBLP-KVWRPFDZSA-N 436.553 0.640 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc2ccccn2n1 1796101330 PMARMALKXHJWLF-PDZBNPCASA-N 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MQYOUXNAMGLNCC-OXFYSEKESA-N 426.514 0.158 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831422105 ZZRDMQIPQXZBEB-BTYIYWSLSA-N 437.468 0.890 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1832455985 HBGNJDKCMMBFQI-LJQANCHMSA-N 432.506 0.114 30 20 ICED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1832821877 SOEDSNSXGIWMQC-JOCHJYFZSA-N 428.489 0.783 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835782126 VUGNMIXRYVRIQG-OEAKJJBVSA-N 441.536 0.952 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835793538 AEPDKCYGZRXBSV-INIZCTEOSA-N 441.536 0.470 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837403915 WCRAUBINGIEPFA-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1837405585 WCPFODBSTBCLLJ-KSFYIVLOSA-N 440.537 0.605 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)o1 1837441062 PFLNSHHLOXXGBJ-DUYDGHCJSA-N 448.524 0.282 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524330 FYCBTSDZKQQSFW-MVASEBFSSA-N 436.465 0.582 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1837938421 NMSFHNFJGSMLIO-YQNSVDCASA-N 429.521 0.932 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1838538207 RIPUEJGALRNHHH-UHFFFAOYSA-N 439.472 0.924 30 20 ICED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnn2c1 1838737308 NXPLCHVBOONDQP-JOCHJYFZSA-N 449.471 0.621 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839223698 FTHNXTMIENPCBC-FOIQADDNSA-N 439.488 0.739 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1839453937 KDNMNQPSKRESCE-IERDGZPVSA-N 439.476 0.184 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)c4n[nH]cc4c3)CCO2)C1 1839509932 MXDVMCQGAIPBTH-GAJHUEQPSA-N 440.500 0.980 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2ccccn2)CCO3)C1 1839665901 DQLHOQPHZURJCK-SBUREZEXSA-N 442.516 0.623 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4c(n3C)-c3ncccc3OC4)C2)C1 1839807446 AWBDHNDQPJHUAO-HSZRJFAPSA-N 436.468 0.683 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840163315 RCQNTDBOHDZVDJ-SXGZJXTBSA-N 443.566 0.771 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 1840435183 ZSKWZSUQPDNRSU-OAQYLSRUSA-N 436.578 0.955 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646008 ZILFZIGVFNHJPA-HSZRJFAPSA-N 445.516 0.838 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818998 JHNDIANKYLDFNH-QFIPXVFZSA-N 445.472 0.347 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842340859 UXTPMQYQVUBKIF-AWEZNQCLSA-N 429.477 0.916 30 20 ICED C[C@H](OC(=O)COc1ccccc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 15825508 FEQLGXACWBQPCP-AWEZNQCLSA-N 431.470 0.875 30 20 ICED C=CCN(CC=C)C(=O)Cn1c(=O)c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 22340915 ZUCNTFSOGWTKGS-UHFFFAOYSA-N 434.518 0.634 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)c1 110340105 ZIGOKYHKTXYTSD-UHFFFAOYSA-N 449.529 0.472 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410114980 IPGKJNGVUXPPPM-MRXNPFEDSA-N 437.518 0.762 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H](C(=O)N(C)[C@H]3CCN(CC=C)C3=O)O2)C1=O 410120164 PEAQZBBWINPKAV-XSLAGTTESA-N 432.521 0.025 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 410189240 GLIWYKAZBFCYIX-CQSZACIVSA-N 426.520 0.009 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)n2)c(F)c1 427699032 VRHAWRNMIBWHIX-JTLDEDOYSA-N 447.470 1.447 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 437060935 UTSPMVGUCQCBAS-RHSMWYFYSA-N 425.507 0.647 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 443695420 AYJLVXZUVWBPRI-UHFFFAOYSA-N 441.532 0.520 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC2CN(S(=O)(=O)CC)C2)cc1 443717394 LOSBUIJCTFARQF-UHFFFAOYSA-N 448.545 0.837 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C2 467386812 AUYZRQPERIZXEG-UHFFFAOYSA-N 434.504 0.926 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN([C@@H](C)CO)CC2)cc1 470923809 PNUOFWMROGADMN-INIZCTEOSA-N 438.550 0.347 30 20 ICED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 471226713 FMQWBDUJGSCTKE-LJQANCHMSA-N 432.546 0.623 30 20 ICED COCCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 477831375 WYBWOHRSGXYTMF-QGZVFWFLSA-N 428.532 0.525 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 480790765 YODRYEHPOQYLOR-ODXCJYRJSA-N 441.469 0.918 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N(C)CCc1ccccn1 481509142 JSMZQURXRTXMIN-OAHLLOKOSA-N 429.502 0.437 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1C 481811791 KNZCWQXYZOFOMI-UHFFFAOYSA-N 446.514 0.887 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)n(C)c1=O 487799747 CEHQKGHPAUPBGH-UHFFFAOYSA-N 434.378 0.896 30 20 ICED N#Cc1ccc(=NCC(=O)NCc2cccc(NC(=O)CN=c3ccc(C#N)c[nH]3)c2)[nH]c1 497858270 MXHVTYDXTSDMOY-UHFFFAOYSA-N 440.467 0.843 30 20 ICED COC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cc1OC 500461934 PGAKIEMPDZWCEF-UHFFFAOYSA-N 449.489 0.956 30 20 ICED COc1c(F)cc(CC(=O)N(CCC#N)CCN2CCOCC2)cc1S(N)(=O)=O 502560478 LCJYQHSWIDTELL-UHFFFAOYSA-N 428.486 0.099 30 20 ICED CN(CCc1ccccn1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 503156742 VMNRHPXQVIGTPW-UHFFFAOYSA-N 427.530 0.961 30 20 ICED N#Cc1c(CCCNC(=O)NCCN2C(=O)CNC2=O)nn(-c2ccc(F)cc2)c1N 503732348 VBRPTWAEJQABOE-UHFFFAOYSA-N 428.428 0.249 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2=O)cc1 505152438 LACNIRWHVQLSFH-SFHVURJKSA-N 435.440 0.673 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507491788 FVROHNXIUGRYDJ-UHFFFAOYSA-N 434.499 0.851 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C)CC2)C[C@@H](C)O1 507880303 NPWMDONARPSHKM-HZPDHXFCSA-N 445.549 0.830 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513238491 MYRCZRYJIDTSKE-CQSZACIVSA-N 442.451 0.917 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CC(C)C)CC1 514492428 YRFNPPMESSOHOQ-UHFFFAOYSA-N 445.614 0.998 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1 520691350 JYAMDCWAHBEOQX-NVXWUHKLSA-N 434.518 0.821 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccncc3)c2=O)cn1 523857225 JIINJDZWTCPVAN-UHFFFAOYSA-N 438.513 0.166 30 20 ICED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 532666861 ADAODCVMCOUVIY-UHFFFAOYSA-N 440.522 0.752 30 20 ICED C[C@](C#N)(NC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1CC1 533491102 KGGKEBJURNAVTP-LJQANCHMSA-N 435.506 0.929 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)n(CCC#N)n1 535238304 MLDTZZZMNGHRMO-UHFFFAOYSA-N 441.467 0.966 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCN(S(C)(=O)=O)CC1 537249284 VOJNEVJJXUYIMK-KRWDZBQOSA-N 439.607 0.813 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 542292648 BUGNERYMEYSKJI-OAHLLOKOSA-N 440.460 0.486 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1)C(N)=O 561416351 FZXWOUKIYKKMRO-UHFFFAOYSA-N 430.509 0.690 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 561710872 RMIYDRABFFHNNV-CQSZACIVSA-N 438.410 0.271 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 572438538 UPUBOQOCQVEQDT-GFCCVEGCSA-N 428.492 0.949 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 576095979 DWMRUBYFBVGRFW-KRWDZBQOSA-N 431.512 0.357 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576392407 JTVLGEZOVFGXIX-HPGBDJQBSA-N 435.531 0.385 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 578795782 WNOLIUVBIOOQPW-UHFFFAOYSA-N 428.533 0.680 30 20 ICED CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 579304530 GONYSIMEJQQQGT-FQEVSTJZSA-N 436.534 0.819 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O 589160674 LLPTZMMGASCPJQ-CQSZACIVSA-N 447.582 0.886 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 610805149 FIPBMDJZVJYUAC-CYBMUJFWSA-N 436.515 0.330 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611551478 QQOKQFZNTXALSO-HXUWFJFHSA-N 430.528 0.240 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 732466997 RXHVRGXMHSUROX-VXPUYCOJSA-N 432.525 0.243 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 749667765 XOOWNTRAJMQFCL-QGZVFWFLSA-N 429.521 0.297 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1=O 749882564 DBSIEMWURVAJDC-UHFFFAOYSA-N 439.516 0.197 30 20 ICED C#CCN1CCN(C(=O)CSc2nc(C3CC3)nc3c2c(O)nc(=O)n3C2CC2)CC1 749999162 FGHRVKQWQZNNNX-UHFFFAOYSA-N 440.529 0.974 30 20 ICED CCCNC(=O)CN(C)C(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 750356967 BUVSVYMGJGRSSJ-ZDUSSCGKSA-N 438.506 0.032 30 20 ICED COC(=O)c1cccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C#N 756137799 JDEQVTODNFBKGR-ZDUSSCGKSA-N 433.442 0.554 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 758049336 GEJCAXXQPLEWDW-UHFFFAOYSA-N 438.553 0.952 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 761230769 KKXWRNOCFNHOBN-SJORKVTESA-N 449.481 0.505 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)nn1 762708455 UMLUDSMLUHFPGE-CYBMUJFWSA-N 430.396 0.908 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 764298937 NRQXZIMJAGMDFL-FJGOLAJPSA-N 449.489 0.101 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccon3)c2=O)cn1 765145350 HZHSXGQIIBZDHC-UHFFFAOYSA-N 441.513 0.907 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC2)cn1C 771079510 YEEPZFSJJKJULX-UHFFFAOYSA-N 443.551 0.269 30 20 ICED COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)c(O)c1 771569995 VJOQASSZWYUGOE-SFHVURJKSA-N 447.469 0.860 30 20 ICED CCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OCCC)c1 771897564 POCMAWZBWHAVNE-UHFFFAOYSA-N 438.506 0.974 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 772134652 VZWRMYWHPUOIHF-ZWKOTPCHSA-N 426.535 0.070 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)cn1 785132001 SJTSTTKAKOHSPN-AWEZNQCLSA-N 431.250 0.807 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)cc1 785290026 JWOUKKOMROMAHM-NHEFTAMWSA-N 444.460 0.666 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccn(C)c3)c2=O)cn1 794613096 MCDBHODMVOEDLC-MRXNPFEDSA-N 437.525 0.953 30 20 ICED Cc1c(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 795869723 DYLYTSBPHDJDKO-UHFFFAOYSA-N 445.501 0.219 30 20 ICED CC(=O)N[C@](C)(C(=O)NCCNc1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 797620409 HRBXJSWRUMMKBL-FQEVSTJZSA-N 429.502 0.936 30 20 ICED N#Cc1cc(Br)ccc1COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 805480672 ZNGIOBGSDCIHJK-UHFFFAOYSA-N 441.263 0.769 30 20 ICED CN(C)c1c(C=NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n(C)c(=O)n1C 807962808 PROLANFVGOUHAC-UHFFFAOYSA-N 433.412 0.890 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)Cc3cc(Br)ccc3S2(=O)=O)CC1 810031737 UHQCAZUFZYZJQC-UHFFFAOYSA-N 440.319 0.300 30 20 ICED Cn1ccnc1[C@](O)(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 810191633 FFOCOKNEKJFLMV-MRXNPFEDSA-N 445.423 0.526 30 20 ICED C[C@@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 816130261 FPAZYSBXPFAOMB-LEWSCRJBSA-N 434.430 0.835 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCCNc2ccc(C#N)cn2)CC1 918140194 RYKNYIZGLGRBSO-UHFFFAOYSA-N 431.497 0.744 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(N)=O)CC2)cc1 918429912 KNAGJRPVAVWENW-NKFKGCMQSA-N 449.533 0.552 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 919318612 KRDKGUCGGGRWJM-KRWDZBQOSA-N 436.486 0.818 30 20 ICED 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20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833709622 RVUZEXJWYGDSFJ-FOIQADDNSA-N 439.488 0.739 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)OC(C)(C)C 1835207585 DGBDHPMJJGMMGE-OAQYLSRUSA-N 438.525 0.859 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835426539 BZIHFRLXCJRJPN-JOCHJYFZSA-N 428.489 0.035 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835680112 DGPNTWZGUSKTFN-JOCHJYFZSA-N 432.521 0.869 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835767653 JYRIEQYWTBQEHW-XNQWGTPPSA-N 433.513 0.519 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836786684 LQAAKHYRNJDPRI-UHFFFAOYSA-N 449.552 0.719 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837199736 PJRQXCPGTMPSFI-YCRPNKLZSA-N 444.492 0.829 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2)C1 1837220957 GCDAHILEIOUQPP-NJNPRVFISA-N 440.537 0.604 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837442371 WNLGOVQAJNLLID-VOJNIELOSA-N 444.532 0.648 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443844 LBGUEMGHSJJPLL-DZHDYZGWSA-N 430.509 0.327 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837488396 CMFQOPGXZASJCV-HSZRJFAPSA-N 443.500 0.556 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)o1 1837489564 NEYDORQGTMZCJU-QFIPXVFZSA-N 446.504 0.076 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905578 NJUIODQCWGIXKN-AOMKIAJQSA-N 428.489 0.543 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838949695 PUJLEVQNWIHSOH-QHCPKHFHSA-N 426.517 0.970 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839080586 BNAKIJBSTOPWLK-HOIFWPIMSA-N 432.521 0.394 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839175252 XNFSTXFQKTXKSL-NRFANRHFSA-N 436.461 0.351 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)CCO2 1839471909 RJZQHBNBRPJJSN-HXUWFJFHSA-N 433.417 0.315 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5C[C@@H](O)C5)C4)C3)c2c1 1839488303 KDLYNLJJTLDODN-ZMPRRUGASA-N 439.472 0.275 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)ccc1F 1840014940 MXGWSGLHRCUBDT-UGKGYDQZSA-N 431.464 0.875 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3Cl)C2)C1 1840040984 JRNLDCGXBJSKKK-HXUWFJFHSA-N 438.839 0.566 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(F)c(F)c4)CC3)C2)C1 1840043000 BBZIWVKRWYHWDK-OAQYLSRUSA-N 448.422 0.541 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840130859 XVZXDUMESZVNQL-CGXUKVIWSA-N 439.509 0.587 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840199790 LOHOVEMTOXTCOW-UGKGYDQZSA-N 447.557 0.937 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CCN(C(=O)OCC)CC1)C2 1841056476 LGQYDRFHQCLNTR-SREVYHEPSA-N 432.521 0.917 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841602615 DLKDQPPOSIARLZ-DLBZAZTESA-N 442.516 0.864 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1847210781 UAVKFYRWRPNVBL-ROUUACIJSA-N 431.456 0.737 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C(C)(C)C#N)csc2n(C)c1=O 1847348054 KPDCMWUPPTZFIQ-KBPBESRZSA-N 443.529 0.593 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847942791 XPNUHIRWZKCIRO-ILXRZTDVSA-N 449.508 0.209 30 20 ICED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 15799947 TTZLCMDPJUUDMM-SNVBAGLBSA-N 444.835 0.529 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 108755836 QUFJUIGLSHNSNE-UHFFFAOYSA-N 426.499 0.623 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)n1 430975106 IRJMLNNQPLMBOU-UHFFFAOYSA-N 440.525 0.790 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 434966656 YZMJXMSEGAPQLM-UHFFFAOYSA-N 430.509 0.056 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 438108003 JPOAWAVIUPEAAP-UHFFFAOYSA-N 441.513 0.828 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)C1=O 440266833 KKWYMUQVQZYOLR-MSOLQXFVSA-N 428.489 0.788 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCOC1 441962349 ZOJOZNWOKUWZTB-INIZCTEOSA-N 425.510 0.760 30 20 ICED N#Cc1cccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 445707727 RIPRYKAUXDVXSP-UHFFFAOYSA-N 426.442 0.698 30 20 ICED COCCCN1CCC(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460604433 HEPBWMFEPUZJOZ-UHFFFAOYSA-N 425.493 1.003 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cn1 462101920 AISYARABVVEZJP-UHFFFAOYSA-N 442.461 0.806 30 20 ICED N#C[C@H]1N(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCC[C@]12CCCCO2 468632133 OCYUMPMPRWLWIC-VQIMIIECSA-N 434.474 0.696 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 469519879 AKHZUGFZBSJVSY-KRWDZBQOSA-N 431.518 0.790 30 20 ICED C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H](C(N)=O)O1 470026399 BCRWPAMNMQAYBI-ZRGWGRIASA-N 429.521 0.931 30 20 ICED CN1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)cn2)CC1 476010339 NRRUOTPMLBQWGU-HXUWFJFHSA-N 449.515 0.658 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)o1 480937923 PYDDANWXLLLFFD-UHFFFAOYSA-N 442.541 0.698 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 481112448 JYEHUOZOHMGVOC-ZDUSSCGKSA-N 428.536 0.107 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 482060456 LECFZHZUHLNDGM-OCCSQVGLSA-N 430.490 0.904 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 483046886 XZXDFNVTFUJYHT-AZUAARDMSA-N 427.549 0.385 30 20 ICED COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 490879729 VQSFEEBPLQQGHR-UHFFFAOYSA-N 447.455 0.691 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)NC)c2Br)C1=O 501447401 INWOTEXKGPRVLH-ZDUSSCGKSA-N 437.294 0.993 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1=O 503832099 SIOJHJACTHMJBU-AWEZNQCLSA-N 449.261 0.425 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 517139744 UUDATVHMQYRCCE-UHFFFAOYSA-N 441.410 0.718 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 518982619 KQJNBZMTRHKYEF-UHFFFAOYSA-N 433.508 0.623 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 521120902 PIZVPZBMDXIPOA-UHFFFAOYSA-N 434.503 0.565 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1ccccn1 523574328 KUDKACKSMCSISN-UHFFFAOYSA-N 438.484 0.944 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cccc(NC(C)=O)c1 525775732 XWZLROXGUBNAOC-UHFFFAOYSA-N 433.449 0.571 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1CC1 533491097 KGGKEBJURNAVTP-IBGZPJMESA-N 435.506 0.929 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 537381318 VNNNUVBCWKPQRS-UHFFFAOYSA-N 429.399 0.408 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C1CC1 537739520 MJMRHDIJGVJQEZ-UHFFFAOYSA-N 444.469 0.427 30 20 ICED CC1(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 540738724 OTPSMNOVJOEGLZ-UHFFFAOYSA-N 428.536 0.220 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 544866321 LVIQCHJYGCHGGX-UHFFFAOYSA-N 445.483 0.941 30 20 ICED Cn1cc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2=O)cn1 553435989 WPXVCGRFKJRCSR-HXUWFJFHSA-N 439.495 0.617 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 557496357 QREVWWNSSBQODA-MSYCTHLASA-N 440.500 0.572 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)CC1 557733170 ORCWLLRMFCSLIB-MRXNPFEDSA-N 434.541 0.578 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 562027445 IRKLFVXNJODUEI-KRWDZBQOSA-N 438.598 0.747 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)Oc3cccc(F)c3)CC2)c1C#N 573950049 IQYGMLYOPQWISB-AWEZNQCLSA-N 428.468 0.972 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 574605152 ZWUDZOYTQABGSK-TZIWHRDSSA-N 441.576 0.460 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 574937842 XVUAZLGWCUYWIV-UHFFFAOYSA-N 441.511 1.355 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C(C1CC1)C1CC1 609704055 ZDQJLQMPNSLDAB-UHFFFAOYSA-N 427.530 0.270 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCN(CC(F)(F)F)C1 684296078 ZOFKSBUMMNBXGQ-KBPBESRZSA-N 442.404 0.991 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 731650604 IDNGTVLDAGEJFE-UHFFFAOYSA-N 429.564 0.390 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 742615625 QDKKMRHGVLFNJM-IBGZPJMESA-N 431.489 0.548 30 20 ICED COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 743928183 MFTMBVHWVJFIBZ-MUNYZGMTSA-N 438.506 0.312 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(C(=O)OCC)cnn2C)c1 744601875 WJWWWRSRJHBVBX-UHFFFAOYSA-N 448.457 0.304 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 750300857 KMYYPYNTHDVDGI-OQCHKFKFSA-N 443.551 0.655 30 20 ICED C#CCN1CCC(C(=O)NC[C@H](NC(=O)C2CCN(CC#C)CC2)c2cnn(C)c2)CC1 752147986 DDFVIAJTYSAQTB-QFIPXVFZSA-N 438.576 0.384 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC)s2)c1=O 752191872 ZMWWRMXKKGBKQJ-UHFFFAOYSA-N 436.559 0.231 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C1 755552324 MZZMOGNFZURNEP-WFASDCNBSA-N 436.490 0.904 30 20 ICED COC(=O)c1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1C#N 756205047 FVAXVRSIZWKOJK-GFCCVEGCSA-N 445.453 0.854 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)cc1 757228606 FVZYNOGPFABWGI-ZOAKPAGHSA-N 448.505 0.021 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1OC 763432879 KRPOXHKUAFBFIH-UHFFFAOYSA-N 438.509 0.512 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CCOC 771916533 WNNDROXWHJOZED-UHFFFAOYSA-N 427.935 0.537 30 20 ICED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 773942746 KBKVDWAPLFCKRC-HNNXBMFYSA-N 437.518 0.913 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)cc1C#N 774011773 GNDLTNGKWPIHRZ-YOEHRIQHSA-N 448.476 0.938 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)ccc1F 778338758 XQFNVJZBAUGICF-KRWDZBQOSA-N 441.525 0.853 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CCOC 782918325 FMFKXRFPHAKWMI-UHFFFAOYSA-N 445.928 0.950 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2nnn(C)n2)cn1 783007432 UUDHEZHYZXXQMA-JTQLQIEISA-N 445.431 0.627 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC1(C#N)CCC1 784199110 FUJGWVZDPLHXSA-JOCHJYFZSA-N 440.456 0.718 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NC1(C#N)CCC1 787708473 ATMQMCSPMRUAJQ-QWHCGFSZSA-N 434.474 0.181 30 20 ICED C#CCN=c1nc(N2CCO[C@]3(CCO[C@H]3C)C2)[nH]c(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 804679852 KIPONNRAFWVLML-WOSNLTMFSA-N 444.536 0.107 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)c(=O)n2C 825370251 OCWNHCMKUHNJMK-UHFFFAOYSA-N 430.808 0.141 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1307675786 RDGLYGZETLOWHM-LJQANCHMSA-N 437.541 0.548 30 20 ICED N#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1309998894 MKCCFNNSNBUIRU-HIFRSBDPSA-N 426.520 0.919 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1554869361 WPFBTKNXRXFKJO-LPHOPBHVSA-N 433.490 0.232 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1Br 1561428972 ZYNJMNLDVMXYTQ-JTQLQIEISA-N 437.341 0.515 30 20 ICED CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1615846009 STDKTCOYIMXHKW-UWJYYQICSA-N 432.548 0.868 30 20 ICED CN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1641034302 YUFFOFMZQPNXKR-BLLLJJGKSA-N 433.827 0.949 30 20 ICED 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ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)COC(=O)C(F)(F)F)CC2)CC1 1835684447 QIFNIIZRJYNRRJ-AWEZNQCLSA-N 447.454 0.702 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836016038 UCZHZQNCFOPRPU-JOCHJYFZSA-N 433.505 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836902932 YSRSMGOTISWWMT-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836994949 VPISXMZTNBUQOC-QFIPXVFZSA-N 427.457 0.501 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837396166 CSIHPYAEWUDHRF-VGSWGCGISA-N 443.504 0.372 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838063889 CAQJTMSUGQIWNM-KRWDZBQOSA-N 434.518 0.100 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CCc4nc(N)n[nH]4)CC3)CC2)c1 1838368166 TZDQTNIWEWKFBO-UHFFFAOYSA-N 440.508 0.832 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838440283 VXAMTLKPODWSIP-RNODOKPDSA-N 434.518 0.667 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838672174 KNIMJKWFCIKHGQ-HRAATJIYSA-N 434.493 0.967 30 20 ICED CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838813538 OUQMHXDVXDEWPP-OAQYLSRUSA-N 432.477 0.184 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049630 NBXHZOKSVXMIJP-JOCHJYFZSA-N 425.489 0.532 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412685 GMWDMSMJYLXNDM-YCRPNKLZSA-N 447.444 0.409 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1839460128 GFDMKXMZFIFEQC-JOCHJYFZSA-N 427.457 0.737 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839874535 BQEFVHHBUIWPJJ-ZHRRBRCNSA-N 447.919 0.673 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839960792 NCLLYKDHOKVITL-RFWXGWTQSA-N 447.532 0.847 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840145695 OGTOHHZAPJIPTO-GSHUGGBRSA-N 433.505 0.726 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1840167674 FSIWNTQYIXOMHO-NRFANRHFSA-N 446.460 0.872 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840231602 BMXUZGNCKONKIB-XMSQKQJNSA-N 426.473 0.154 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274290 CPDXRDAGGCYKPH-RWWKDMOOSA-N 438.521 0.503 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 1840435182 ZSKWZSUQPDNRSU-NRFANRHFSA-N 436.578 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc(C)s3)CCO2)C1 1840517670 QWMBUFMPTASSHO-OFGRBQKGSA-N 433.530 0.959 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC3CC3)cc1)CCO2 1840749750 RAYQPYHXEXNHHI-QHCPKHFHSA-N 442.468 0.633 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1840845194 NGGODQAQEHEZLE-JPYJTQIMSA-N 447.532 0.773 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650646 OMNVWYQFGMUQSB-HKZYLEAXSA-N 434.493 0.768 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 16982243 IVSUYRHMFRANPL-GFCCVEGCSA-N 440.478 0.693 30 20 ICED C=CCn1nnnc1SCC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 64654583 GYAYFWHTZPYYEJ-UHFFFAOYSA-N 442.505 0.485 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccc1C(F)(F)F 409483155 CGCMVCRKHGZZPN-SNVBAGLBSA-N 426.442 0.771 30 20 ICED COCCCS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 432023465 AGJACGWVNCCIPU-UHFFFAOYSA-N 446.533 0.666 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435148463 BDUSNQNQWYYXQV-NSHDSACASA-N 439.437 0.501 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 437515117 LHGSMKRKCVLFRG-DEICHXMPSA-N 439.490 0.816 30 20 ICED CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437950917 VMKNYSUFLDBMSE-IEBWSBKVSA-N 441.488 0.763 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCSC 443552255 MWTDIDQJEGJQEI-UHFFFAOYSA-N 430.511 0.986 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 464818899 AAOFDOLFTVPTGW-OAHLLOKOSA-N 440.508 0.823 30 20 ICED C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 467476304 SKZRMQLZNMJCPL-QKPAOTATSA-N 438.496 0.663 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1cnn(CC)c1 480950873 MFLOLBUCWOEVNL-UHFFFAOYSA-N 441.513 0.884 30 20 ICED CCc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482408142 NZPKVAJVTNJHQP-ZDUSSCGKSA-N 434.547 0.988 30 20 ICED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1C#N 489040391 KROQGDWIEURIAV-UHFFFAOYSA-N 446.514 0.532 30 20 ICED N#Cc1cccc(-c2cnc(CNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)[nH]2)c1 493926792 HDAGDAFMCSKWLD-JKSUJKDBSA-N 427.486 0.600 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCCC(=O)OC 501771494 SXLMZDOWHKQMDH-UHFFFAOYSA-N 447.488 0.268 30 20 ICED N#CCC1(O)CN(C(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)N2CC(O)(CC#N)C2)(C4)C3)C1 506385652 YZOHRCRXGDVBAR-AGXSTUJCSA-N 426.517 0.937 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)cc1 506769467 YZUPWDMMPKOKFY-HNNXBMFYSA-N 431.518 0.459 30 20 ICED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1NC(=O)c1cccc(F)c1 508972614 YXDYQSCEZVLPLQ-UHFFFAOYSA-N 427.392 0.781 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 509167914 UZFYOZWRKALDGQ-PMPSAXMXSA-N 434.588 0.246 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCc1cccnc1 512776560 PXLOMBQPOZJLJM-UHFFFAOYSA-N 436.541 0.793 30 20 ICED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 531384346 WLQISZPMQQNQLW-SFHVURJKSA-N 439.428 0.952 30 20 ICED CC(C)(C)n1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 538973999 IKGRRMHPFUQJHB-UHFFFAOYSA-N 444.517 0.981 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 546002182 BPOAJLOLSCWFQF-UHFFFAOYSA-N 446.485 0.435 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 547961887 WABZNNZMZAUMRY-NSHDSACASA-N 435.864 0.296 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N2CCCC2)o1 553061572 ICMXJBBZGYPCLD-QGZVFWFLSA-N 427.509 1.109 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCCOCC 554149742 BXBIZINAWVVDKT-UHFFFAOYSA-N 442.541 0.854 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 555256775 RNONHYGMLCJSEV-QGZVFWFLSA-N 438.598 0.747 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 559495374 GVWWHQBLRLAOME-UHFFFAOYSA-N 430.472 0.609 30 20 ICED C=CCC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 569056655 IZFUEDLREAHLKQ-OAHLLOKOSA-N 432.520 0.714 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 569891528 LWCVOVOLPUMIPO-UHFFFAOYSA-N 442.497 0.877 30 20 ICED Cc1nsc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 572085349 VCBWZTPYPLFJDG-JHNDHUHGSA-N 429.502 0.524 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 604137316 KKARXSPYLQVCHJ-FQEVSTJZSA-N 434.452 0.827 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911354 BVWPOBMMAKBJNA-UHFFFAOYSA-N 436.415 0.196 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(=O)N(C)C 610799875 IPVFJWOHBBFJGO-UHFFFAOYSA-N 448.570 0.487 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610810174 UTYAARFWUIOQHG-IGCXYCKISA-N 430.490 0.269 30 20 ICED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 679821625 NSAFAXFIAMUDFP-YGRLFVJLSA-N 436.317 0.536 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2nn[nH]n2)C1 732089146 CPGJTZWXMLBXMY-CQSZACIVSA-N 433.494 0.399 30 20 ICED C[C@@H](CC(=O)OCC(=O)NCC(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 745497541 WASQFFYJOAFYCH-LBPRGKRZSA-N 438.506 0.078 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cn1 746363289 QTTMVZKYFPXZJR-UHFFFAOYSA-N 429.868 0.781 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCSC 751831284 GJQNZPJSMZNVGA-UHFFFAOYSA-N 449.602 0.490 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 762686117 KTOSSETWUXGWMI-CQSZACIVSA-N 440.522 0.445 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 762980694 AFHREPIGUSOMPO-HXUWFJFHSA-N 427.526 0.747 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 770665487 QYBHQIYVJNZRNC-INIZCTEOSA-N 430.452 0.896 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 778768476 JMTRIKBVQLOLLW-NJAFHUGGSA-N 445.497 0.632 30 20 ICED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)s1 780462748 VPHKHQRGTGLJCM-UHFFFAOYSA-N 431.459 0.981 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 783481539 PUZQVXCGBGYXJQ-LBPRGKRZSA-N 444.412 0.662 30 20 ICED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784785219 RJHJNVPUJDOCAG-JPDJOPTESA-N 435.506 0.127 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)c1 787803820 RXHJXIZDLPOKLW-UHFFFAOYSA-N 438.531 0.790 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 798163118 UYTWJIKGDRFRKD-UHFFFAOYSA-N 430.442 0.952 30 20 ICED CN(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C(=O)c1ccc(Br)o1 813980289 ZFYINSZAKWWBEV-UHFFFAOYSA-N 427.236 0.886 30 20 ICED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)Nc1ccc(C#N)cn1 815590618 CUFPWOVTEUPRLC-UHFFFAOYSA-N 430.465 0.429 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)cc1 821173142 MDLOYJAHZDFDDW-INIZCTEOSA-N 428.470 0.605 30 20 ICED COc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 821693416 SLVFOEBFVZUORQ-UHFFFAOYSA-N 433.442 0.924 30 20 ICED N#CC1(NC(=O)CN(CC(=O)NC2(C#N)CCOCC2)c2ccccc2)CCOCC1 1117707764 VHHLBYGOBHGOQC-UHFFFAOYSA-N 425.489 0.871 30 20 ICED CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 1321312733 ZUKQMROFVSEUSQ-UHFFFAOYSA-N 441.496 0.898 30 20 ICED N#Cc1cn(CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)c(=O)nc1O 1464116132 ZFPWOHBJTSWIPD-UHFFFAOYSA-N 431.243 0.842 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1499330678 XUDBCRGQRMZLPP-QGZVFWFLSA-N 425.493 0.922 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1502344217 ZJSDAENLDSDHAA-RCCFBDPRSA-N 430.557 0.232 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1541006790 QMIZWYCBGJOOAF-IBGZPJMESA-N 441.511 0.901 30 20 ICED CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1541197831 RMHQLRRFOPBZGM-UHFFFAOYSA-N 425.493 0.970 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCOC1 1608564287 SRKJFYMFGCSXFV-OAQYLSRUSA-N 440.508 0.161 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705747561 OYRYGELKUURYLU-NEPJUHHUSA-N 425.964 0.654 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1706871562 QFPDUWIUEDZQKG-KSSFIOAISA-N 441.533 0.733 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1771348534 WUJZQKYGTLSOCB-QGZVFWFLSA-N 428.518 0.966 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779202319 SGUDORIUVBUWOV-HSZRJFAPSA-N 440.500 0.549 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779601097 NZSXWQXGCXFWBI-FOIQADDNSA-N 447.496 0.727 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCOC)C2 1780739357 CUNBPIYBVBFZQW-DYESRHJHSA-N 426.510 0.673 30 20 ICED Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781554166 FULITOYDHYFUHF-XMSQKQJNSA-N 430.553 0.987 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781964240 WFJRKKXRJHXNCU-QFIPXVFZSA-N 429.496 0.388 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1782011165 OHCWNCUVDWJYPC-PRCFCKQXSA-N 445.516 0.379 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783123502 LLPSHCQCVLDWOO-JXXFODFXSA-N 425.551 0.875 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567473 RELUKGPQPDNVQN-ORENWSFKSA-N 447.488 0.017 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1785379303 VAWACLFJGDKFLK-QFIPXVFZSA-N 442.472 0.609 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380670 XQQXDWWZKYSPML-KSFYIVLOSA-N 443.504 0.475 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785560381 JKZMQVVKTOHWJE-JPYJTQIMSA-N 427.501 0.593 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncnn4C)C[C@@H]32)c(O)n1 1785773313 YMLRQMRJKAPGHZ-WBAXXEDZSA-N 440.504 0.941 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092555 DKCJTHNZJGTLAB-BZSNNMDCSA-N 432.601 0.704 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c1 1790270626 QMPXUVHLHSQIED-SZMVWBNQSA-N 437.504 0.793 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 1791077733 UVMSQJGJHAXCCS-RBOXIYTFSA-N 441.400 0.152 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)n1cncn1 1792148660 RWTMPOJPEDHJPJ-HYJFEMIMSA-N 438.488 0.769 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H]3CCC(=O)NC3)c2c1 1792581915 JTOZICBRRCLSQT-ZTENYAIWSA-N 436.472 0.164 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793361129 GRGFSZOLLDFIAS-OPMZPASUSA-N 445.541 0.987 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796423284 OZHRXBNBXSZPBW-QIRZIZBZSA-N 426.564 0.298 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797561024 PIJHOZBDLZIQJO-OPMZPASUSA-N 446.467 0.883 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1C[C@@H]2C[C@H]2C1 1797634155 HEKOOGZGEMGAOE-WQAORLAISA-N 434.537 0.445 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784360 BGFRUIZMQFKUAQ-OPMZPASUSA-N 428.533 0.857 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)cc1C#N 1800527433 HWUQGUMUEWCSDD-DCXXXQMHSA-N 440.500 0.685 30 20 ICED O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CCN1 1801065976 MCCNVZVEZVECIZ-KUKYNPAHSA-N 431.514 0.603 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CN)C3)N(C(=O)OC(C)(C)C)C1 1801104020 VMQZHMXGSOIUOY-DFBDCSAJSA-N 436.553 0.736 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1801762315 FYRWSXLDJGEFMT-QFNVCVKDSA-N 427.505 0.110 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801765898 VHIPQBQVGBRXEN-CARQKBIPSA-N 442.516 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)C1 1804850704 GUJGHMFWFUWVJY-JTGQJZMRSA-N 439.578 0.757 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806852065 LCWHEQVWJBUQGO-IEZWGBDMSA-N 447.499 1.000 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807117318 FDAROPOWMAUXKA-SZVBFZGTSA-N 429.525 0.728 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1810306079 OTUXYTHLVHNGFO-SUMDDJOVSA-N 431.562 0.610 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811533835 UVERUNYSKPTJTK-DNVCBOLYSA-N 435.444 0.153 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814321988 OYJFLLPSFQSVRB-LLVKDONJSA-N 427.552 0.382 30 20 ICED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)n1cnnn1 1817319287 ANXDFCNTXAGELA-DZGCQCFKSA-N 428.501 0.931 30 20 ICED O=C(C#Cc1ccccc1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819880081 JIUPGKKIUYKPJN-HRAATJIYSA-N 440.525 0.757 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717546 VSSWVLCTUJRYLZ-SFHVURJKSA-N 433.521 0.703 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)o3)C2)C1 1829773134 BSIXUJHOXKHIFI-ICTHTSFCSA-N 431.489 0.445 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1829887621 ZDZYZWFMBSYLFB-JOCHJYFZSA-N 435.569 0.066 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907856 SPPWGDDMLLKADM-AOMKIAJQSA-N 428.489 0.082 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830626717 UYBXAGMNEYGARE-CVDCTZTESA-N 436.549 0.548 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H]4COc5ccccc5O4)CCO3)C2)CC1 1831228866 ODRKNXXYBDOZBD-GAJHUEQPSA-N 441.484 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1831393456 MHOWKKVQDBNKHI-BFUOFWGJSA-N 427.404 0.721 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831491516 DOOXKKVJDLXECL-WRWLIDTKSA-N 429.583 0.702 30 20 ICED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)cn2[nH]cnc(=O)c12 1831670065 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CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n[nH]1 1838695339 RIGWTIBMVULTBE-JOCHJYFZSA-N 446.552 0.885 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c1 1839451543 ZUAFXUYTCQHYGI-JOCHJYFZSA-N 439.472 0.690 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516101 APVXRHSKAKQIGE-UZLBHIALSA-N 438.550 0.690 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006320 AQKUUMBAJGQFFK-VNXZQDSDSA-N 432.517 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccc3F)CCO2)C1 1840684666 XSSJKGWXKJPJEX-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1841054772 CASDCQBMZZDXID-HJWRWDBZSA-N 441.484 0.511 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1844234723 MKNRRDJSSHWNMR-NEWSRXKRSA-N 443.544 0.942 30 20 ICED CCOC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 21578730 RXRRVPMXUNJZJY-UHFFFAOYSA-N 449.533 0.165 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26879466 LEUGNJRRBLGGHP-QGZVFWFLSA-N 440.547 0.205 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1=O 440255693 ATZSLZIQPFWFNK-QGZVFWFLSA-N 426.473 0.910 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@H](C)O)[C@@H](C)CO)nnc12 443804927 VSTVVDGFEBUYSL-KBPBESRZSA-N 431.518 0.913 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 447761950 ZLWGAFPWZDUNQT-UHFFFAOYSA-N 442.563 0.820 30 20 ICED Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 467603549 YMGTVNUSIZDFGB-WVDZOPJMSA-N 435.531 0.476 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 468918503 JWZKIKSUWMPYHQ-ZDUSSCGKSA-N 434.547 0.949 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 471811593 SCCFGYBITBRLTO-IRXDYDNUSA-N 433.534 0.240 30 20 ICED COc1ccnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1 481796589 AVHWNJVMLHPRQK-HNNXBMFYSA-N 429.502 0.977 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)S1=O 484705926 REXSJBKSTCRKFR-HOTGVXAUSA-N 438.575 0.232 30 20 ICED N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1 495272961 SAORPQMDSASAAI-INIZCTEOSA-N 429.506 0.527 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)cc1 499567057 XXJUILUGERHDKT-MRXNPFEDSA-N 438.506 0.779 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2ccccn2)c1=O 505655053 BWFQZFNFTOOSKA-UHFFFAOYSA-N 436.541 0.617 30 20 ICED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 508903552 PBMPSHYREIGISH-UHFFFAOYSA-N 425.536 0.616 30 20 ICED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513786985 QXWXJPVTZLSDHN-HXUWFJFHSA-N 426.454 0.898 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514022801 QNECWMZVFFPHHV-ZHRRBRCNSA-N 438.488 0.122 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3cccc(C)c3)CC2)c1=O 514734158 VCYHTYZDFKEKOX-UHFFFAOYSA-N 425.489 0.201 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 524282670 DQANMJUIHBUAFZ-UHFFFAOYSA-N 444.605 0.506 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533357259 CYWVTKKNJRNDCP-UHFFFAOYSA-N 434.474 0.644 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543000646 XKWSCUNYMJVJQF-CYBMUJFWSA-N 434.453 0.362 30 20 ICED CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 549173381 KSDXCGGVUWGDIV-UHFFFAOYSA-N 428.461 0.806 30 20 ICED C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549292118 NEEBYGKWNKJLDZ-UHFFFAOYSA-N 429.525 0.978 30 20 ICED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCn1cnc(C#N)n1 553525093 QOEQJEJRZMDSQB-ZDUSSCGKSA-N 426.499 0.505 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 560189193 JRAWFQWXLKSNJD-CQSZACIVSA-N 431.456 0.876 30 20 ICED CC(C)N=c1[nH]c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nc(=NCCO)[nH]1 561156744 QTCNJRKYKLGRKT-UHFFFAOYSA-N 433.520 0.686 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 561487962 BYOPNWRWJYIAEN-LJQANCHMSA-N 441.576 0.775 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1=O 564012823 LGYAFGGKWWYNJV-HXUWFJFHSA-N 428.533 0.505 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2=O)cc1 575165664 CWZYLQBFVAOIDQ-NVXWUHKLSA-N 426.477 0.077 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 584307610 SWRKWZQRGMTUSZ-INIZCTEOSA-N 434.500 0.882 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 585709662 PKSKFFJGMBZJAG-LJQANCHMSA-N 444.555 0.925 30 20 ICED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869881 UITCAJQPBFAMPI-YWZLYKJASA-N 439.516 0.539 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 670994024 UYQUPMLLULAWKX-OAQYLSRUSA-N 441.576 0.776 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039043 HUEYSHPJRWWODU-ORAYPTAESA-N 436.490 0.285 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1n[nH]c(CC(=O)OC)n1 735813319 YYMPIXACYKSPNS-LBPRGKRZSA-N 434.478 0.756 30 20 ICED Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 737150761 VWRLXGWCGAPXPV-UHFFFAOYSA-N 436.472 0.901 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 743909031 PCQUMEOJHQVDIR-HNNXBMFYSA-N 441.481 0.381 30 20 ICED CC1CCC(NC(=O)CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 746213277 PDJUIJOAUCNINN-DQRAZIAOSA-N 431.537 0.742 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2=O 749654476 KDPIBQQOQABNOH-FAGJFJLWSA-N 448.524 0.963 30 20 ICED CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 753479214 UXPHXTOJOBGSLA-JWGURIENSA-N 437.522 0.423 30 20 ICED C#CCN1CCN(C(=O)CNc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 754302334 KKUPVJLOEPEMTR-QZTJIDSGSA-N 434.562 0.674 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 757149660 HCWHBGGYUMDDGR-DZGCQCFKSA-N 442.563 0.339 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)ccc2OC(F)F)c1=O 758067771 ICZSWYNSGYDTCC-UHFFFAOYSA-N 447.463 0.719 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 761019783 RJFWLCWTISOHLE-UHFFFAOYSA-N 434.449 0.902 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 761032234 GSAJKYFHUXGGIA-UHFFFAOYSA-N 440.374 0.852 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 763459486 AXXKIODGMOSRMU-UHFFFAOYSA-N 449.536 0.756 30 20 ICED C#CCN1CCN(C(=O)CN(C2CC2)S(=O)(=O)[C@@H]2CCN(Cc3ccccc3)C2)CC1 769561571 AMNMBDIEZOCHBL-JOCHJYFZSA-N 444.601 0.833 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)c1cc[nH]n1 770825505 WRIVRUUDSBUUGG-UHFFFAOYSA-N 433.387 0.611 30 20 ICED Cc1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1-c1ccccc1F 772481767 VPERAKYKNZCIJP-ISLYRVAYSA-N 426.408 0.901 30 20 ICED CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1=O 780410079 NTEGTIIXTPGYKB-RELWKKBWSA-N 435.550 0.992 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 782898038 XLLZIDSMXLNDAZ-UHFFFAOYSA-N 425.449 0.845 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2c(C)cnn2C)c1=O 795197744 QGKXNZAWNKGJST-UHFFFAOYSA-N 433.493 0.735 30 20 ICED CC[C@H](C)[C@H](OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796004523 WPJRFXZJGMFQBH-KXBFYZLASA-N 437.518 0.995 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 796841658 AOOJIFGNFQHDSA-UHFFFAOYSA-N 437.499 0.865 30 20 ICED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 799199659 AMTRANVZMWKXBU-UHFFFAOYSA-N 432.502 0.140 30 20 ICED CC(C)(C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(C#N)c1 803925903 DYOPWRCMSKVRJA-AWEZNQCLSA-N 425.438 0.531 30 20 ICED C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 914898993 FUDQPTGLDQWXDI-SNVBAGLBSA-N 426.520 0.894 30 20 ICED C=CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1116004012 WYHLDKPLPOCUIP-SFHVURJKSA-N 437.562 0.995 30 20 ICED N#Cc1cn(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)nc1O 1136461541 JDIZKOWXQZMAIW-QGZVFWFLSA-N 437.504 0.276 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1154387089 PWPLZWIQIZUSAN-UHFFFAOYSA-N 432.506 0.365 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1302480208 NTPPLCGYVZNKAD-QGZVFWFLSA-N 448.574 0.809 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCN2C1=O 1319087396 YDTZXDIDBZMJAM-CVEARBPZSA-N 438.444 0.258 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1359467106 MPUBAUCKPPSBQR-BZUAXINKSA-N 427.575 0.452 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1C 1492274017 SAATWJCJKZAXFG-AVRDEDQJSA-N 439.520 0.943 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1517536279 MUNQBYAOSXLMGF-UZLBHIALSA-N 428.518 0.636 30 20 ICED N#Cc1cn(CCC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c(=O)nc1O 1638490347 YZGBDGSHAIVBQN-ZDUSSCGKSA-N 435.278 0.941 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCC(=O)N(C)C 1693748811 QLHNZLUDEFEXAF-CVEARBPZSA-N 439.524 0.637 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1723934326 JHBVEJAGXGLINJ-WOSRLPQWSA-N 448.546 0.155 30 20 ICED CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1726816325 AEIAYASMCUBBJX-UWJYYQICSA-N 428.493 0.841 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1743255592 UIJMSJIEETUQJY-JLTOFOAXSA-N 444.517 0.033 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1745883515 MOPGYZVJAXJRJJ-UHFFFAOYSA-N 432.488 0.951 30 20 ICED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749267067 OAKYHQNAXAXHNN-UONOGXRCSA-N 428.946 0.986 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779099611 JFSKHXZDDXIKBU-IOFJYKPDSA-N 433.509 0.630 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102486 YXLOITMXYNOFKB-RMONRWDFSA-N 433.465 0.458 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1781300502 XFTRNDRBQZHDKU-BTYIYWSLSA-N 426.452 0.922 30 20 ICED NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)c1cccs1)C2 1783284608 VYDWRAHSNFRVFH-ZABPZDLMSA-N 434.518 0.669 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784683491 PAVWMIAQNHVPAB-ONIAQPFYSA-N 445.520 0.920 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1785079909 REIONUPYWOSBQD-QXATTWAWSA-N 444.488 0.822 30 20 ICED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1786745858 GBWGNKMDHNNNEO-FKBYEOEOSA-N 425.529 0.740 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788575614 ZTAJOXLXOLMDBH-UOVPBQLFSA-N 427.505 0.896 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788739971 UOXMWTSVTQKVPL-XSLAGTTESA-N 435.569 0.553 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1792964246 RIVKQWTUINKUFH-HSFUPAIVSA-N 434.537 0.447 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890120 BEASRKXDLHUHIU-DFGXFYAUSA-N 448.524 0.337 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2ncccn2n1 1797380364 BIHYCDHKTAMBBQ-UPHUGPLXSA-N 437.500 0.631 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1797816024 FCJYANRUSURNCU-HDQXXOSBSA-N 445.516 0.709 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)c1ccccc1 1797876175 DKJYKQKLCDZSKA-XAPVIXHLSA-N 437.544 0.613 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OC(C)(C)C 1800600062 KYPKAJHWCHYKCU-BASYENTBSA-N 439.509 0.977 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992061 VJEPELFLCADQGC-WGVRVLLMSA-N 426.473 0.217 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1801992439 HIRZNFVHWIPALW-GPVSGQMNSA-N 436.468 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804367260 YMEOPBWKPZKXBA-SFGWALBWSA-N 449.511 0.951 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809596767 ACJCIVJJPCZHFE-UZKOGDIHSA-N 429.565 0.926 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811894205 SQQXKTDARKWKSR-QUCCMNQESA-N 449.467 0.816 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]1c1cccnc1 1812874740 MKDVRXLMFCLQGH-RISCZKNCSA-N 445.325 0.531 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1814108275 VCTTTYQMYQHQBR-QKNQBKEWSA-N 429.473 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820292371 FVXRXHYOLDTHNM-OMMCCPJFSA-N 445.461 0.859 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCN2C(=O)OCc1ccccc1 1828663236 VVFZRPZLUJBERW-QHCPKHFHSA-N 449.467 0.881 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCOCCOCCOC)C3)C2)C1 1829673195 HBOPYNPWGSXGSZ-QFIPXVFZSA-N 440.537 0.479 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3)C2)C1 1829773465 KJCQBOBNCOKJNW-WVUNDPPESA-N 430.505 0.364 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1830061480 GYHGFWAKEVYIBR-HXUWFJFHSA-N 430.440 0.488 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1831398848 MAZKVHQGRYHTKI-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831426788 PBLGXEOBRFGYMZ-BTYIYWSLSA-N 429.477 0.619 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831427009 OWRDOWKRFNBYPI-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)Cn4cc(C)c(O)nc4=O)CC3)CC2)C1 1833050927 SJMKGSYKHCETPR-UHFFFAOYSA-N 443.548 0.795 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833487849 BCBSIDKTTDXNHC-IBGZPJMESA-N 436.490 0.164 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326509 DWKOCSBNSHOJDT-UHFFFAOYSA-N 438.532 0.225 30 20 ICED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1834406585 FXISMTXXZGVTDS-HVHIPWAVSA-N 449.508 0.502 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834664946 XGWTVZVBSDBMHO-UHFFFAOYSA-N 448.526 0.202 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835245509 YBKDFIZECJQYIB-QFIPXVFZSA-N 431.489 0.600 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835490775 GJTRFFZWIJDSFZ-JOCHJYFZSA-N 438.488 0.887 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836109864 OHYITNZEQVVVQX-VQIMIIECSA-N 440.591 0.980 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158566 MHFITLQSCHWRRF-YGPNGPECSA-N 426.473 0.793 30 20 ICED Cc1ccc2oc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2n1 1836267209 UUVZHFQLZABWOT-NRFANRHFSA-N 427.413 0.294 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393530 RHNYHDQMYJHVIX-UZLBHIALSA-N 433.534 0.754 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837396709 IXPIPEXVVDWLNB-SELNLUPBSA-N 432.517 0.750 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837493557 KMOTVTGTWIOBMB-HSZRJFAPSA-N 432.517 0.836 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837677962 KYSVYQVAJGIPSK-CBGDNZLLSA-N 440.541 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(OC)c3)CCO2)C1 1838929725 GFWSNVBEADNMAD-SBUREZEXSA-N 446.500 0.812 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839224291 HLXVUWOIZYYBOL-FZKQIMNGSA-N 425.511 0.596 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cn1 1839422358 PHBRGLPREHOTOI-JOCHJYFZSA-N 441.463 0.744 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628231 VJYZBKLACOJDBU-VFNWGFHPSA-N 427.461 0.066 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)CC1 1839759603 BFAHEVTWRNSNHP-KXBFYZLASA-N 428.551 0.741 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1839806265 HVZSGTYTUICWGS-XXBNENTESA-N 425.485 0.125 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1839811692 JSCAJUZZZYAGKF-QYWGDWMGSA-N 439.484 0.424 30 20 ICED CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccn1 1840040837 ARBDSTXBZMXNHJ-JOCHJYFZSA-N 429.473 0.537 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840956117 DGNVCRCGOWTDEV-OAQYLSRUSA-N 448.520 0.804 30 20 ICED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841232646 FCYNXDTTZWSLSH-ONSXPEOJSA-N 426.539 0.765 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841745475 FBAIXYOTASCBAY-AWEZNQCLSA-N 449.508 0.211 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1841747272 ZONOUNHSHSWSKO-SFHVURJKSA-N 449.596 0.907 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1845200482 JICWZIVIRZRMCH-CQSZACIVSA-N 433.509 0.925 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845770142 MFJHKDGYKQGMFA-CRJUJDDESA-N 443.504 0.932 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1846382200 JWKQZOMPUFFXJD-HXUWFJFHSA-N 425.445 0.867 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1846415296 HQFQYIXHPDFDOQ-SJLPKXTDSA-N 438.484 0.691 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 433644836 LPGPMFNLYXTAPZ-LLVKDONJSA-N 426.513 0.561 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 433651335 UREKIMOBVJKCRS-MRXNPFEDSA-N 425.493 1.003 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436214463 ACGYTBPASWFXQX-INIZCTEOSA-N 432.546 0.944 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1 441944592 FIMJJXKMXPGZPA-UHFFFAOYSA-N 437.522 0.815 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 460678640 ZAADVMRQCPDCLC-HNNXBMFYSA-N 449.431 0.319 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCN1S(=O)(=O)c1ccc(C#N)nc1 462600755 GVTUWIWCWPHHIU-ZDUSSCGKSA-N 432.487 0.304 30 20 ICED CCOC(=O)c1c(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C#N)cn1CCOC 481385695 DZVXMSITRMOIOU-CYBMUJFWSA-N 427.483 0.338 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 488636820 JQVQMJZOPPFSBU-CQSZACIVSA-N 426.470 0.535 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 491088757 YGLCNPLSCVCWKR-LJAQVGFWSA-N 440.953 0.603 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 497722600 YLZLZPOFWRYJFH-UHFFFAOYSA-N 429.458 0.433 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 502014708 FYEXVIPNNFZONS-UHFFFAOYSA-N 441.513 0.482 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)o2)cc1 502736008 DXFWDFKXDNKTAO-MOPGFXCFSA-N 445.497 0.958 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 530318202 OTDRPNHVDNEUQW-SNVBAGLBSA-N 437.930 0.609 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC(O)C1 537682516 WTLJFTGINAQZOD-DPZOUVDISA-N 448.612 0.851 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 538348572 VYDLEUQCOAWGIN-HZPDHXFCSA-N 425.580 0.471 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 550790806 OUUINBVNFSHRSS-UHFFFAOYSA-N 426.565 0.741 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 554768690 QGCDMEFGJALVTI-BEFAXECRSA-N 430.505 0.644 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 556385925 CCKBQWZUMBARMD-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558055311 DITKHFXLEHIFTO-VQTJNVASSA-N 441.532 0.345 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C(C)C 559864937 NSPQQJQNXUFSJD-OAQYLSRUSA-N 447.624 0.814 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1C 577329558 SFOCLQOLSQXWPI-UHFFFAOYSA-N 433.428 1.574 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577433087 VKIHNLWWRAAQKS-MRXNPFEDSA-N 431.474 0.359 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 579262621 QHLTYRCHAPMMJW-QGZVFWFLSA-N 436.582 0.501 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 588905914 TVIVYCDLHACOKD-UHFFFAOYSA-N 436.516 0.859 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434485 WUGDGQKKZMOPED-UHFFFAOYSA-N 444.469 0.401 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)C1=O 606797909 BJVLLJUDPINEIX-UHFFFAOYSA-N 436.490 0.987 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609955204 LKDRPWWBDVKFHY-UKRRQHHQSA-N 431.518 0.873 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@@H]2CCCCO2)c1 619861601 TXMWMXUMALJACP-MSOLQXFVSA-N 435.488 0.533 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 684664181 CXLYXUCQKPZPRG-HNNXBMFYSA-N 436.534 0.002 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 728571178 DIOMCWKQJAHZBM-RTBURBONSA-N 427.549 0.606 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)CC1 733890921 NZMUGVWIYZXKJM-VXPUYCOJSA-N 447.517 0.478 30 20 ICED C[C@H]1C[C@@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1c1cnn(C)c1 742908155 VBXCHKOBFIBPSX-DVOMOZLQSA-N 444.517 0.547 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 743927628 FMMHNGVBMYWYFC-UHFFFAOYSA-N 432.458 0.861 30 20 ICED C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 746046700 QMWLZGFLBYFWNX-ACNSNUFOSA-N 435.550 0.896 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(CC(=O)NC)no1 750317029 QSGWSQNLCHZKEH-ZDUSSCGKSA-N 449.489 0.699 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1C1CC1 755664681 NYNTWAIBTYGIDH-OAHLLOKOSA-N 446.554 0.818 30 20 ICED CN(C)S(=O)(=O)c1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccn(C)c3)c2=O)c1 763436712 LOFZHUSBZARWIA-UHFFFAOYSA-N 439.522 0.514 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)c1=O 771200187 NOZSBFYJBLEEKJ-IBGZPJMESA-N 432.440 0.981 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ncn(C)n1 782138838 VEBKYSINHAXLIE-RDGOFQKVSA-N 433.494 0.444 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ncccc2O)c1 792413376 PALMMZMOGYDUHF-HAVVHWLPSA-N 431.474 0.855 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)CC1 796201849 NRVVTIVWOYKJNQ-HOTGVXAUSA-N 429.543 0.083 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)o1 796278591 IISAZFXEMNJZHB-WFASDCNBSA-N 438.506 0.648 30 20 ICED C#CC[C@@]1(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 809608435 RUFKGCMNLJQIMQ-YWZLYKJASA-N 441.550 0.541 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273809 KRTGKBQBGPCEDN-UHFFFAOYSA-N 437.472 0.423 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOC 838265805 YCSWSHUESXHXBG-UHFFFAOYSA-N 435.509 0.547 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 917507236 RUVPPOFTHFQTEQ-HSBSLETESA-N 426.429 0.811 30 20 ICED CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1287096604 ZVMBBQNLKMMFSY-BEFAXECRSA-N 440.545 0.733 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1301012195 QROMCHBQOQZRJK-GOSISDBHSA-N 448.549 0.996 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cc1 1452242567 FXMWAKHCQPLJNB-KKSFZXQISA-N 448.545 0.947 30 20 ICED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1474813271 RCAMDUCEWROVNE-UHFFFAOYSA-N 429.520 0.644 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620355403 JARCHSOLKZPHLA-OLZOCXBDSA-N 440.430 0.084 30 20 ICED COC(=O)[C@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCCN(Cc2ccccc2)C1 1644051321 YAYZFCHWMUSBFJ-NRFANRHFSA-N 425.445 0.145 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1698301326 UNJPGABXISCCLG-CQSZACIVSA-N 427.552 0.497 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1710157293 ZLOLOHUTLOPJIX-IRXDYDNUSA-N 441.602 0.937 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1710484243 RZXFLHUXOBBDDE-UWJYYQICSA-N 434.541 0.770 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741988740 SOSYLPUFBIWKNV-MOPGFXCFSA-N 436.538 0.080 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCS(=O)(=O)CC2CC2)cc1 1771532316 WMZNDVNAANIZMC-QGZVFWFLSA-N 428.518 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778526092 JMWWTPZRGJCAMD-QFIPXVFZSA-N 441.488 0.991 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1778971366 LDPIXRZHGGBRDS-OPAMFIHVSA-N 443.504 0.348 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1778975792 RRJQVEPRGVNTCR-ZSDSOXJFSA-N 441.525 0.233 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779077094 WDJWEBTZGFNEJB-MAUKXSAKSA-N 432.420 0.523 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102967 KWLUZIITUNZMPB-VSDLEHRUSA-N 445.476 0.379 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779107678 XMVFWFULDLFQBS-HOEWKMGESA-N 431.493 0.768 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnc3c2OCO3)C1 1780020269 CTVSUSGNJRVZCK-ZDPZECHZSA-N 429.473 0.976 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1nc(C)no1)C2 1780739613 RDYHGFWELQGMAN-IIBYNOLFSA-N 434.493 0.944 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1781266923 FBTUEJGTUMIFDP-PGRDOPGGSA-N 430.505 0.811 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1781797162 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O=C(CCc1ncc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791480743 DQNBYVGOTZHBID-WCSKPKODSA-N 433.509 0.851 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C)n1)C2 1792484143 BPOKEOVUOJNSEG-ROAZTASUSA-N 426.517 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2 1792485117 BMDBWIFHSFVOJN-YTRCMYEKSA-N 427.501 0.651 30 20 ICED 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)C#N)C2 1793086266 RTDMGHUEESCWQW-QKPAOTATSA-N 438.525 0.401 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104956 KLMXVMISHNBZNR-OHTBPHCPSA-N 442.501 0.092 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)=NO2)C1 1800709706 FSBMDSPPIGLPDX-XOIINTDNSA-N 447.492 0.255 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@](C)(O)CC(=O)O)c1 1801006495 CBBJPYXNQKDBBJ-AXRVMRSRSA-N 429.473 0.686 30 20 ICED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1801205248 SLJBKYWQZHCLLP-CWPLJXCYSA-N 430.461 0.055 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1803039172 MJZNWNHFAZJAEJ-RYRKJORJSA-N 431.493 0.887 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807024003 KUVICKZCBSOFKX-UWWQBHOKSA-N 440.437 0.403 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1812878495 JATIRXGNLKYZCT-MZKRTTBSSA-N 432.480 0.890 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(F)cn3n2)[C@H]1c1cccnc1 1812880588 QCQLTRKKDRQZDA-KUHUBIRLSA-N 436.403 0.671 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1813039448 KXELZCIGCNYMOQ-RVSPLBMKSA-N 428.518 0.659 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814568788 IOHVZKOPICABGS-CQSZACIVSA-N 436.534 0.897 30 20 ICED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)n1cnnn1 1814986196 YZYYQGGGVCLBIS-RYUDHWBXSA-N 431.526 0.585 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1815205478 XGTDAXFMWSLWPB-GOEBONIOSA-N 442.476 0.711 30 20 ICED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)C(F)(F)F 1821993872 FABHCEUWJSQTKG-AWEZNQCLSA-N 433.431 0.807 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822526677 IUZDPSTXRBNVEU-IDTUSYRASA-N 440.460 0.185 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1823744601 XFECUOZIUFBRAX-ZSMVDIGXSA-N 433.553 0.057 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCNC(=S)NC)CC1 1823747657 GUSSVMTZVAKKEV-ZEVQVBBLSA-N 449.621 0.949 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc1 1825663992 OEQFAHVGPLYBAD-SNVBAGLBSA-N 448.482 0.255 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1829907641 NDZYIGSGJBNRRJ-JOCHJYFZSA-N 438.488 0.239 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830176968 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1833275409 FDGDXMJSHVSEGT-QXMPAIGCSA-N 436.553 0.858 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762873 XIKAVMZJFCCLGL-DOTOQJQBSA-N 439.582 0.111 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834848513 QLUIMOHLVUUQMI-QHCPKHFHSA-N 443.500 0.900 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835752481 RBEOZOJNRIKZAK-IERDGZPVSA-N 425.526 0.498 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837398461 AMJMIRCKCNVPPQ-WZONZLPQSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837441117 SIVREADBNQWEGN-XWRADEMYSA-N 431.493 0.329 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488741 OLVXIFMCAKPKMD-JOCHJYFZSA-N 431.489 0.752 30 20 ICED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)s1 1837489456 HKAJYXGVLMXNRB-NRFANRHFSA-N 448.545 0.494 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(F)(F)F 1837560175 RQOMEVAQOSWQCT-DPPSAQFDSA-N 447.410 0.468 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1838627340 UNHMFRFOEAAGJK-IRXDYDNUSA-N 426.627 0.939 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838737160 LHZWYNUBMAKLLR-NRFANRHFSA-N 435.444 0.313 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n[nH]1 1838906555 PNSRWGSERMVRQC-JOCHJYFZSA-N 437.456 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1839175373 FKZAINHQKAVWCJ-UWJYYQICSA-N 439.509 0.753 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1839227679 JAJUXEDEAGCCLZ-HRAATJIYSA-N 433.509 0.700 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cc3ccncc3)CCO2)C1 1839656005 AQYPQPHHVWVHEB-YCRNBWNJSA-N 429.517 0.755 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840096656 DMDZJFVMMQDJHN-JPYJTQIMSA-N 428.485 0.672 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486718 UJALKFVFWORGCO-JNQOSRSFSA-N 430.505 0.519 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840566409 LTYWEZXRBASLSF-HFSPCEDCSA-N 440.541 0.312 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1846978859 BOXMMFFDIYDNAF-UHFFFAOYSA-N 433.428 0.185 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1847767589 HDEZLVCDMFEGNR-HEHGZKQESA-N 442.582 0.926 30 20 ICED O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1)c1cccnc1 1848138397 HLXCNSLRQMYYNA-WEZAHOIESA-N 429.477 0.542 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1 12826524 IPHHVVYSKPQYOJ-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCO1 409478738 SVHBOWQWZZIGBI-SMDDNHRTSA-N 429.296 0.391 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 409596639 UIQMUNFUDPSCNV-NVXWUHKLSA-N 444.579 0.960 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1C(=O)Cc1cccc(Cl)c1 410158689 JCSQKBBKJPXOBR-PBHICJAKSA-N 426.926 0.884 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 410390243 HSJCKFQXOKBMAQ-SNVBAGLBSA-N 426.446 0.538 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 442942998 JRNJVDDYBZLRRD-QGZVFWFLSA-N 434.543 0.993 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(-n2cncn2)cc1 460592165 RVZSXMQADDCVGD-UHFFFAOYSA-N 427.428 1.283 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 464855700 LECNAWPKSOTCHY-AWEZNQCLSA-N 429.506 0.535 30 20 ICED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Br)cc1 468605496 AIGQEFPSCYIIES-NSHDSACASA-N 441.263 0.800 30 20 ICED Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n1 473073855 CKADGDAZQRTMHE-IUODEOHRSA-N 425.380 0.848 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2C(C)C)c1=O 478744333 VVSPQOOQSUVRFE-UHFFFAOYSA-N 440.573 0.540 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c1 484593139 SYUUJKNRRLVXJT-UHFFFAOYSA-N 445.566 0.550 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486468256 KNYKCCAOVFLOCY-UXHICEINSA-N 440.548 0.901 30 20 ICED Cc1onc(CC(=O)NC[C@@H]2CSCCN2C(=O)Cc2noc(C)c2C#N)c1C#N 496971420 VDUQOFHCXXQGAX-CYBMUJFWSA-N 428.474 0.868 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 518573590 OFBBUJITSLVMPJ-UHFFFAOYSA-N 448.545 0.933 30 20 ICED Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)cn1 536999479 PSGQKNZZXPDZHD-UHFFFAOYSA-N 440.508 0.850 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 538348646 CMTJAUIBVHFEBM-SJORKVTESA-N 439.607 0.859 30 20 ICED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 558980468 ZOHBZCUIGVKOKY-UHFFFAOYSA-N 425.493 0.424 30 20 ICED CC(C)CN1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561707620 QJETZLFAYRYYRG-VQTJNVASSA-N 425.533 0.869 30 20 ICED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 563702629 KWYKDPPPUTWBLJ-UHFFFAOYSA-N 441.513 0.463 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568129540 ZUQSVAWZPMCCII-IPMKNSEASA-N 444.488 0.107 30 20 ICED CN(CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC(F)(F)F 569875788 AAVLCXOSKMAVIH-OAHLLOKOSA-N 425.411 0.780 30 20 ICED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 570355839 VNOTYPBHCFUQID-AWEZNQCLSA-N 432.296 0.473 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)N1CCOCC1 572388103 KWOIZFPWXCLBLF-UHFFFAOYSA-N 433.538 0.719 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 579271797 LDMNAQDCQMKEGZ-MRXNPFEDSA-N 437.422 0.482 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564764 LRVMSJRNHMZZMT-QGZVFWFLSA-N 434.522 0.187 30 20 ICED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN([C@H](C#N)C(C)C)CC3)C2=O)c1 731847618 YFIDUUMCLBVLST-GCJKJVERSA-N 442.520 0.659 30 20 ICED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 731929644 HSYLBBGIBYUIJB-UHFFFAOYSA-N 449.514 0.859 30 20 ICED Cn1cc(N2CC[C@H](OC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2=O)cn1 733832212 XPWKAOGHOJNZCB-SJORKVTESA-N 436.428 0.845 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 735494510 ZGPLRWBHWXTGKH-DFQSSKMNSA-N 434.562 0.718 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)Nc1ccc(F)c(F)c1 741342357 NRPQIAZMHQCQKQ-HNENSFHCSA-N 436.371 0.479 30 20 ICED COc1ccc(N2CCN(C(=O)COC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 741342455 VLYPXBGWRGQRSU-DQRAZIAOSA-N 442.472 0.804 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c1=O 741733734 LRSSRGIXAZPFGY-INIZCTEOSA-N 432.433 0.385 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 743901049 XTKHMXOREUASJO-UHFFFAOYSA-N 439.451 0.605 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 748765346 BSNPUJLBVHOURN-NHYWBVRUSA-N 431.898 0.671 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 755597273 WKYALUSQZJPWBM-QGZVFWFLSA-N 432.546 0.367 30 20 ICED CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc21 760323641 SDOPUYJCQQDUOO-CRGRJFMMSA-N 426.473 0.704 30 20 ICED N#C[C@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 764371659 IXIKSQNTPKAUHC-ZWKOTPCHSA-N 439.559 0.420 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Br)cc3c2OCC3)c(=O)n(C)c1=O 764909832 XLPNHVLZEIXQEV-UHFFFAOYSA-N 443.279 0.094 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1N 766355764 WPKXINUHFBOAAS-LBPRGKRZSA-N 435.462 0.424 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)CC2)o1 766950026 JVFDRJSEKUCUHT-PKOBYXMFSA-N 427.509 0.825 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC2)o1 770105320 UXEWDJDWYKIRME-OAHLLOKOSA-N 441.510 0.010 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Br)ccc2Cl)c(=O)n(C)c1=O 771889515 JQXRPDHINYAXQH-UHFFFAOYSA-N 435.687 0.812 30 20 ICED C=CCCO[C@H](C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773649103 GDXHZJWGVZTUHR-CQSZACIVSA-N 434.536 0.888 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 783455375 RHHVOCYUCIHDIV-UHFFFAOYSA-N 447.455 0.996 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CC(=O)NC3(C#N)CCC3)C2)CC1 784340330 WPNLFQOYPIMBFH-UHFFFAOYSA-N 441.554 0.116 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccsc2Cl)c1=O 790423024 VJJSNBBGZPNFGG-LLVKDONJSA-N 441.962 0.925 30 20 ICED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nnnn1C1CC1 792475757 XZRPRNDAJVEVJI-CQSZACIVSA-N 444.521 0.063 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 804055662 OONBKGSLLGNREW-HOTGVXAUSA-N 428.493 0.052 30 20 ICED Cc1c(I)cn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c1C#N 809967164 CJZXEHUAFRNJGC-UHFFFAOYSA-N 443.241 0.999 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 811155192 MWTIGLPYLWLPRC-LRDDRELGSA-N 425.463 0.082 30 20 ICED N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CCNC(=O)c2ccccc2F)CC1 811804666 WRCDNRNYZYCZPX-UHFFFAOYSA-N 431.493 0.897 30 20 ICED Cn1c(=O)c2nc(Br)n(CC(=O)NCc3ccc(C#N)cc3)c2n(C)c1=O 915121027 YQWHIPVJBIIJLE-UHFFFAOYSA-N 431.250 0.384 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 916780374 RWJCFQHYBCNQHR-LBPRGKRZSA-N 425.410 0.806 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C(C)=O)CC1 917139670 AFNZABJELKODRW-GOSISDBHSA-N 449.577 0.564 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1 918872804 SIJPVNUYVFGDNZ-AWEZNQCLSA-N 429.454 0.388 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)CCCOc2ccc(C#N)cc2OC)CC1 919670532 INDSGGGHGROHBU-UHFFFAOYSA-N 439.490 0.972 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1297778368 VJLRIKQZNXVPAY-OAHLLOKOSA-N 445.549 0.813 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1302979406 PWAHGUROEFIPAB-DNVCBOLYSA-N 447.496 0.650 30 20 ICED 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C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)ccn2C)C1 1780055155 HRGKUHKHIRYRDY-OCOIBCLLSA-N 442.516 0.371 30 20 ICED C[C@@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1780730133 POARSVWYDBAEJP-ZWDAVXSWSA-N 428.489 0.585 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1)C(=O)O 1781174532 PDDAHGABNRCAPN-XMSQKQJNSA-N 444.488 0.002 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195327 YICPRBWXQJTGGB-JTSKRJEESA-N 438.488 0.793 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783105652 OCHFVTZHIDOHTB-QVKFZJNVSA-N 437.493 0.503 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C[C@@H]21 1783528578 XECORINXXQEOSN-ZUUGCUCWSA-N 447.532 0.414 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783893418 HPQQAKZLMBNRAO-KSMMKXTCSA-N 431.555 0.674 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 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0.270 30 20 ICED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C)NC(=O)OC(C)(C)C 1795187151 AOGCPUJPMOUIJL-CLWJZODNSA-N 438.569 0.997 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)n1cccc1C=O 1797741089 ZLNCSUVIJJUEPS-YZUDJZJMSA-N 429.521 0.923 30 20 ICED C#CCCCC(=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 1799196134 GVIZGZOOOICEHY-VBRUWADQSA-N 449.548 0.607 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1799682406 KSZHQKZQTIGMIZ-SFNKJDCFSA-N 444.488 0.605 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779028 MGEHUIHOCJXYOB-GYBHKZTNSA-N 447.488 0.064 30 20 ICED 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 1800982189 YGEFEWSXPMBFJH-XFRLJCTCSA-N 435.546 0.074 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1800998069 RRHMSYJAQZHZOJ-VPTLXERWSA-N 425.489 0.659 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnn(C)c2)c(C#N)c1 1801420819 VLCKVRDMSVABIJ-BBIADKPPSA-N 437.500 0.675 30 20 ICED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CNCP(=O)(O)O)CC2)C1 1806013604 DBRMWYIUFVOAIT-UHFFFAOYSA-N 431.470 0.925 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808273696 FFGOSHRSBXVBPF-UNEWFSDZSA-N 425.445 0.641 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808295446 JDUKBVLYCSSBJP-XUWXXGDYSA-N 425.445 0.641 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808410693 WGKYZPSRDIJQPC-GHTZIAJQSA-N 432.546 0.926 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C1 1809419567 AGPHODBUJUZEBL-ACRNLXFHSA-N 429.539 0.791 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2c2cccnc2)c1 1810150655 FKFUMUZKUQSKTA-DNVCBOLYSA-N 433.476 0.934 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@@H]1c1cccnc1 1813035373 IDHNHZUBFGTGML-XOUADPBQSA-N 428.580 0.734 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1813036349 SZFCJRFXSZQCLR-ZVZYQTTQSA-N 440.591 0.136 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1814111244 QYBMJKYJAYWOAJ-DWLFOUALSA-N 436.516 0.971 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814797492 GHZNONBDLOYHGU-KGLIPLIRSA-N 449.464 0.375 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c1 1822027336 JYSKSBWTHRNITB-KGLIPLIRSA-N 426.502 0.833 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1827273657 XHBHUUNJCOWAGV-MRXNPFEDSA-N 448.501 0.159 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)c1 1827400243 KWXOEOVDLFHKBH-QGZVFWFLSA-N 449.475 0.559 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828916030 KPHGXUBBNWNXEL-JPYJTQIMSA-N 438.484 0.350 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1829907664 OHADTYGAKYEVHK-QHCPKHFHSA-N 427.501 0.862 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1C(=O)O 1830053996 AIVYCRDZXNDMMS-NRFANRHFSA-N 447.492 0.782 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462691 GYLLNPSDWCRFQV-UZUQRXQVSA-N 442.516 0.472 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831427766 ZSAONEJQMIFNPJ-KUHUBIRLSA-N 428.436 0.939 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1832461236 RQGLMJBCUJDNKQ-FQEVSTJZSA-N 443.566 0.887 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833430559 MTCUFDCPEFIATB-UHFFFAOYSA-N 448.614 0.832 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)C(=O)O 1834741560 APWGBSDPMRENTL-FQEVSTJZSA-N 441.532 0.806 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)cn1 1834963396 KJOSMPGPNUQMPG-UHFFFAOYSA-N 447.561 0.725 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(-n5cnnc5)cc4)CCO3)C2)CC1 1835494369 LNLDJGNHPXTVPJ-JOCHJYFZSA-N 436.472 0.641 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677678 TZJZBQNALGGHSQ-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1835678754 HAOKRDWUITUKMO-IBGZPJMESA-N 445.564 0.878 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)[C@@H](O)C=C)CC2)CC1 1835713274 LRYKXUPKQRVDDT-APWZRJJASA-N 434.581 0.822 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836051283 DYASDSRVBMGNGT-PWYGXMRTSA-N 444.536 0.337 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1837310048 RYVKTNXUPJLKEW-WWMYMODYSA-N 439.509 0.276 30 20 ICED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cs1 1837442001 LJCYYUSALAMALF-VZBSEDMKSA-N 436.538 0.267 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492845 WXEGNVYMUXOTMR-AUSIDOKSSA-N 449.548 0.942 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837531456 NCBKWEBONZJXFP-KHLOOKIASA-N 447.488 0.991 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837701899 YUIIGWPOAKYNEA-NYHFZMIOSA-N 444.463 0.458 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)c1 1838906051 NMYOTNHZQCMYTP-QHCPKHFHSA-N 436.468 0.490 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839227921 NGFZPAUIIKGISA-HRAATJIYSA-N 449.508 0.372 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1839362278 JDMBZFVMMLQHOQ-PGRDOPGGSA-N 426.473 0.101 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663608 FJSNCFCNFSYAPM-GCJKJVERSA-N 430.505 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)C1 1840040025 MBABPDMWQPCULF-FQEVSTJZSA-N 434.832 0.067 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840159854 PNYUCMMHYLKSQV-BDJLRTHQSA-N 434.440 0.884 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1840163801 OEUCTHAZPFKGMQ-QKKBWIMNSA-N 433.530 0.960 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840198165 LKEKZGZWNAJKFD-RXVVDRJESA-N 433.530 0.742 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842213270 FNUQHHFGICGSPF-OAHLLOKOSA-N 444.488 0.819 30 20 ICED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)cc1 1843414274 UZIRABSJVZMLNX-UHFFFAOYSA-N 430.530 0.995 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)c1 1843414285 WZEZKCUKKUFSMP-UHFFFAOYSA-N 434.493 0.940 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847784611 KFPMCEHCKQHHIY-KFIXKWKQSA-N 430.527 0.045 30 20 ICED Cn1c(=O)c2cc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 61379304 ZCEKPPMPOORYIE-UHFFFAOYSA-N 433.472 0.854 30 20 ICED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 62197111 BDRDUBSBLXWRLO-UHFFFAOYSA-N 442.501 0.160 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 410154470 NWTMAYZWBHADHL-SFHVURJKSA-N 440.522 0.848 30 20 ICED C=CCN1CCC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 429974603 LUIHFMVCQBLQRF-LJQANCHMSA-N 436.578 0.982 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCC1 431042227 DZBXTFSEXVMMMW-UHFFFAOYSA-N 425.510 0.835 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1 442353506 UAZBXJJIBFYIGE-HOCLYGCPSA-N 425.507 0.742 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cn1 460616239 WSAVJGJWEWHAMR-UHFFFAOYSA-N 430.428 0.457 30 20 ICED COC(=O)C[C@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 464435726 GFHPXCLUMMOQRL-HXUWFJFHSA-N 435.502 0.797 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(OCCN(C)C)c3)CC2)c1C#N 472057593 KOIBHQRQMIAQST-UHFFFAOYSA-N 426.525 0.967 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)CC2)c1C#N 472198072 ACKSETQPBVLERR-UHFFFAOYSA-N 440.529 0.946 30 20 ICED C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 473468091 CCMDOLAYXQUOPC-OAHLLOKOSA-N 427.484 0.964 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 473683577 SVURZHHRMCMTFB-UHFFFAOYSA-N 439.501 0.992 30 20 ICED COCCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 482036023 GERHJIJWNYHGCD-GDBMZVCRSA-N 443.547 0.277 30 20 ICED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 488222326 UDSLTRCWYQOBNW-ZACQAIPSSA-N 430.571 0.346 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(Cc3ccon3)c2=O)cs1 489021579 ZALIXPTVMHNTEK-GFCCVEGCSA-N 428.495 0.820 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)n2)cc1 490795215 FFKIPVDWTLPBQV-UHFFFAOYSA-N 444.455 0.516 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1 504190309 ZSJWCHHNIKRCOR-UHFFFAOYSA-N 443.489 0.140 30 20 ICED CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C1(C#N)CCCCC1 510071557 MPJPRQLNWVUGLB-UHFFFAOYSA-N 437.522 0.370 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](CS(N)(=O)=O)C1 511570199 HNXWQGGDTLKYRD-INIZCTEOSA-N 425.555 0.952 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 516093133 KFWJKUARDXLUHB-UHFFFAOYSA-N 438.469 0.906 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)C1=O 522943355 JTHZMIDYSQBNHP-MRXNPFEDSA-N 442.472 0.410 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cscn3)c2=O)cn1 523181199 ARHNDZKVBIICFZ-UHFFFAOYSA-N 444.542 0.228 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1=O 523412933 ASLZTGXMIIMUPA-UHFFFAOYSA-N 430.486 0.720 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3C)c2=O)cn1 523863434 SXPUFKLHNNEXBS-UHFFFAOYSA-N 449.536 0.786 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C1CCN(C)CC1 525265792 NIFSZFCUMCYYSV-UHFFFAOYSA-N 426.542 0.572 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 527279871 LXADKOMQQVHYDA-GFCCVEGCSA-N 449.891 0.686 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 532363273 FETHNBDHMDYCEO-AWEZNQCLSA-N 435.509 0.699 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 538030732 RVJTWFDHZYSJCT-IAGOWNOFSA-N 443.552 0.923 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 539130845 NVHGUVBBKJZFPA-UHFFFAOYSA-N 438.444 0.987 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)nn1 541134661 ZDDSACMMXBTWST-UHFFFAOYSA-N 442.823 0.417 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 552316258 IZBRDFQAEVDGBC-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 557355322 RLKMCFWKOVSEQI-UHFFFAOYSA-N 432.506 1.277 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 564485545 CQEOGZGBPNVXQK-MUGJNUQGSA-N 432.480 0.996 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)ccc1OCC(F)(F)F 565448757 CRUWUWGIWZUWSS-CQSZACIVSA-N 441.410 0.894 30 20 ICED CC(C)OC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 572753888 AATSGPSTRWINJI-MOPGFXCFSA-N 428.489 0.822 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 573116643 AWVQMTXNGCYGAV-UKRRQHHQSA-N 440.547 0.298 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)n2)c(F)c1 580000177 VXYSBOOMKONBNN-INIZCTEOSA-N 426.452 1.002 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911466 GUVMHKJHXOLYFV-UHFFFAOYSA-N 430.917 0.610 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 609350179 BAGUCGQZWWABAY-UHFFFAOYSA-N 448.495 0.159 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(N)=O 609416570 XLJDOQRAJCPHCL-UHFFFAOYSA-N 442.541 0.058 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC(C)(C)C#N)CC2)cc1 611696107 TVAMSKZPUXZVSO-UHFFFAOYSA-N 436.534 0.974 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 726584042 NRDFZVXLOZXOLC-UHFFFAOYSA-N 439.472 0.562 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233321 NHGQGQNMGMGOAX-SNVBAGLBSA-N 439.270 0.144 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2)C[C@H](C)O1 731772747 WPHROPGZYGNZKO-KBPBESRZSA-N 433.490 0.992 30 20 ICED CN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1=O 733570530 KXUSPXTYAXUABQ-UHFFFAOYSA-N 425.319 0.137 30 20 ICED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1OC 733653586 KZYTZICUMRAYQH-MRXNPFEDSA-N 442.480 0.417 30 20 ICED COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 733664553 DMCCQOXUDMGGQW-UHFFFAOYSA-N 431.474 0.540 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)CC1 743901096 ZZCXDSCVJHFPAR-UHFFFAOYSA-N 425.894 0.670 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c1 743943285 ZMKWAUWZBRFFNB-VSGPLIKPSA-N 445.545 0.911 30 20 ICED CCc1cc(N2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)ncn1 748503217 NGTHLAGYGKAKAK-UHFFFAOYSA-N 428.518 0.863 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 748814496 CNVYFJFIQNWVIW-SFHVURJKSA-N 435.569 0.117 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCOC1 749861444 CKISNECWSARSCL-HNNXBMFYSA-N 443.573 0.927 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770654365 FJKIONMPALCWGD-UHFFFAOYSA-N 426.454 0.489 30 20 ICED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1CCCO1 773054923 KSIVWENMUWVTLB-KGLIPLIRSA-N 426.438 0.986 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774528363 BWKTZKVPZPRGRR-UHFFFAOYSA-N 440.525 0.012 30 20 ICED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@H]1CCCO1 775332908 UJVSMXOPYFJANX-DLBZAZTESA-N 438.502 0.635 30 20 ICED COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782385861 SFTDTPZKJJKGFF-UHFFFAOYSA-N 445.457 0.897 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)S/C1=N/CCc1ccccn1 783007347 GLVRRCWSBXYBAB-DWXAVSTPSA-N 431.440 0.739 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 787753335 GOIMXYLATNDRFL-UHFFFAOYSA-N 426.502 0.918 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 789789147 QHKMFOXZYIJSSE-CQSZACIVSA-N 425.445 0.849 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c(=O)n(C)c1=O 795815295 AQZHJKRSLSFWGT-MRXNPFEDSA-N 437.456 0.765 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 799084442 AMNNFEVMHJTQKL-CYBMUJFWSA-N 436.424 0.934 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 803597386 CYNQRULHRCBIDQ-KRWDZBQOSA-N 441.532 0.437 30 20 ICED C#CCNc1nc(NC[C@@H]2CN3CCC[C@@H]3CO2)nc(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 804396582 JWPHAPRKIKXBHN-NCXUSEDFSA-N 442.568 0.467 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 807371570 LHMALADJAGQYKG-ALOPSCKCSA-N 430.480 0.976 30 20 ICED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nn1 811182788 POSBIPXIINFERC-IAGOWNOFSA-N 439.432 0.712 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 811252348 TYLOTMZSVLDXFN-IBGZPJMESA-N 436.424 0.621 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cncc(C#N)c3)C2=O)cc1 813985399 YSJXRVIYSNEGII-IBGZPJMESA-N 443.441 0.234 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCCOCCC#N)ccc2F)CC1 815245911 FGTPVYRMYXNWQL-UHFFFAOYSA-N 427.454 0.766 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 816756986 JYPUJTLIDVATKF-OAHLLOKOSA-N 439.490 0.370 30 20 ICED COc1ccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821695571 SDOSQBRLSGKUBH-UHFFFAOYSA-N 447.469 0.602 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 917152208 MKSFSOUQTIZTSA-UHFFFAOYSA-N 447.561 0.128 30 20 ICED COc1ccc(C(N)=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 917402121 YDECJYUJERNJIH-UHFFFAOYSA-N 448.501 0.992 30 20 ICED C=CCN(CC=C)C(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1129117946 BBPXGKPLVIUJPP-YSCDGHNMSA-N 426.521 0.244 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1303641234 PVPBNKVSOLRFPH-JKSUJKDBSA-N 441.602 0.937 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1315610561 ZHCDDNHZKGWIQM-LIRRHRJNSA-N 433.490 0.232 30 20 ICED Cc1nn(C)c(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1C#N 1320961485 IDDDDGDEEZQBND-UHFFFAOYSA-N 431.522 0.343 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)n1 1492753939 LPOPVSIKAZMLKG-QGZVFWFLSA-N 428.497 0.117 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1499146376 YFGZNYIGKWOPJT-QGZVFWFLSA-N 444.565 0.715 30 20 ICED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1555819936 UYJMVJJAKYWYHL-QGZVFWFLSA-N 443.533 0.819 30 20 ICED CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1635330118 ZXTVMWOOYDQJOP-CYBMUJFWSA-N 425.898 0.173 30 20 ICED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1683565439 MWOXXFBVOZHKSF-ZDUSSCGKSA-N 434.478 0.672 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCOCC1 1706869359 OZSNVEDVHYPQQG-OAHLLOKOSA-N 440.570 0.950 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1711074080 SNJJMKWWHUIIPA-INIZCTEOSA-N 426.506 0.865 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)c1 1778576008 PIDXBTCZWJDLQA-QFIPXVFZSA-N 435.440 0.975 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1779069110 MLMWUIOMDMJOOY-XMMPIXPASA-N 439.512 0.928 30 20 ICED CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781764822 GVILGEBJSRFXFX-DENIHFKCSA-N 428.489 0.587 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1782180287 YELLITYXHHMDBU-APPZKNGHSA-N 428.580 0.621 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccn4c3)C[C@@H]21 1783530827 KJECEPJHCQKTQX-CXLTZZKYSA-N 437.500 0.786 30 20 ICED C[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782316 WGOBHWSHQGKPDN-JZKQVHKSSA-N 445.582 0.799 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783919627 GJEQDIOVTDZCLW-JOCHJYFZSA-N 436.553 0.945 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C[C@@H]21 1784482292 KMOSZZBMZMELPV-JKQORVJESA-N 446.460 0.630 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1788661891 ZLDNRHLIMCCKMY-FOYLYBJLSA-N 434.497 0.177 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1793361573 PUFVLPHNLCQSBD-UEUMHJPSSA-N 426.517 0.933 30 20 ICED CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1F 1794513167 KFGNYLZYIOYCBM-HQIBJSEXSA-N 437.472 0.843 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930673 BTORROQCDRRMRW-JLVBRIDZSA-N 448.545 0.810 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1C[C@H]2C[C@@H]2C1 1797634154 HEKOOGZGEMGAOE-RDYNPDFASA-N 434.537 0.445 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)n1 1797911535 MXDFCOBFWLDMQZ-ALXJQNPVSA-N 427.505 0.570 30 20 ICED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1C(=O)O 1798693440 ZFJWJQKEKPHZBA-ZSBFGKGUSA-N 440.460 0.879 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(O)cc1 1799294951 PBCUJMIULFYKJK-FQERERFUSA-N 427.501 0.944 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799686446 SUGAZLHQICMJIX-PJDNKZPLSA-N 445.516 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800202485 QRQTXTNTLMROPW-KWWJQKEASA-N 444.532 0.363 30 20 ICED 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#CC(=O)O 1800778927 WMCAPRUOCRWKIW-XYKMGWITSA-N 447.488 0.133 30 20 ICED O=C(CCc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801409426 IGVSYNQHZQYBSN-YGIWGEJLSA-N 431.493 0.528 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN(C)C(C)=O)[C@@H]1c1cccnc1 1802475668 AKGARPDZCBPCRW-SXFJPSEXSA-N 441.532 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@@H]1c1cccnc1 1803588099 OQQJXIBOUPJVJX-HZLSTUHESA-N 441.532 0.861 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804094868 VRHPTDZIGLTTAT-WIYYLYMNSA-N 446.467 0.825 30 20 ICED N#CCCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808405687 KSWZIYJAGQALDR-FXAWDEMLSA-N 433.534 0.817 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CC[C@H](N)C(N)=O)C3)CC2)cc1 1809816659 UYNMZBUQOMNXGE-IBGZPJMESA-N 425.533 0.925 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1812527993 AFAGMDMUIGKVJS-KXBFYZLASA-N 441.451 0.919 30 20 ICED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824668658 XZPXGUGALMQZBQ-ZANVPECISA-N 428.536 0.553 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(n1)OCCO3)CC2 1825665445 MOGJRFJKGQQGCS-JTQLQIEISA-N 428.426 0.623 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1829891446 BFVSRBCGJJPCKF-QHCPKHFHSA-N 426.517 0.970 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830916205 GLPZVUPFTXSHNT-WMZHIEFXSA-N 431.533 0.962 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1831397259 WOJTZBDZJXNBMD-OPAMFIHVSA-N 426.473 0.671 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831491216 ZYAKUVMWNZYAFA-UZLBHIALSA-N 433.534 0.754 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833037724 KHWNLQDBHVJBED-JOCHJYFZSA-N 446.552 0.238 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833874444 JTMIAPXULPTTIA-LJQANCHMSA-N 425.432 0.667 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnc3)CC2)CC1 1834264188 ZDUFEBJUJASXHS-ARJAWSKDSA-N 428.537 0.313 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834602945 MGLKDNWDZSIMLX-OAHLLOKOSA-N 427.571 0.190 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835245220 MPKRXHBWRGEOMG-NRFANRHFSA-N 435.452 0.430 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729985 VUOJXLGAUZJJMJ-FLVDCRJSSA-N 434.585 0.541 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835750223 LNBLDFVRRGJTBC-HXUWFJFHSA-N 444.576 0.535 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](CN)c4ccccc4)CCO3)C2)CCC1 1835824856 MCZCESSRLYRGFT-AUSIDOKSSA-N 426.517 0.879 30 20 ICED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1835896591 NKUSUMUJPPVCIJ-SIKLNZKXSA-N 431.537 0.979 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3c(s1)CCCC3)CCO2 1836881913 JSOFCLJMGVNHOG-NRFANRHFSA-N 432.498 0.785 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCC5)CCO3)C2)c1 1836979651 TXCSQBQGENDZON-JOCHJYFZSA-N 438.488 0.803 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837443526 FEMPQLUHKXYKRT-IQPKQKCSSA-N 448.568 0.386 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837528402 JEYOVDWCLISGSG-NSDLYDKDSA-N 437.493 0.665 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837874541 LSFJACLJMJUDKL-MDAVEZEFSA-N 433.465 0.076 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)c1 1838739566 ZGQNMUXBJLKRMS-QFIPXVFZSA-N 437.456 0.369 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1839801722 YWNZRYKNSLWSMN-NRFANRHFSA-N 449.529 0.393 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839884256 CWWQZYLQMJHATD-FNEOHHHZSA-N 449.529 0.470 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1)C(F)(F)F 1839894163 LZWFJKNHMOMHFF-SFHVURJKSA-N 444.410 0.854 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1839924176 VRTJGCYVPKDNDY-MPAHJKEMSA-N 428.485 0.900 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)O)CCO3)cc1C#N 1840029361 BSOFLELTNGOWBM-AOMKIAJQSA-N 431.489 0.796 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)C1 1840568792 OAAYTEBHDXSZMZ-HSZRJFAPSA-N 426.517 0.509 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1843325665 TVLQMMWKRVOGBY-KRWDZBQOSA-N 449.548 0.774 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844794815 QEBZWBKWAZVEMQ-HNNXBMFYSA-N 431.493 0.979 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(C)(=O)=O 1847940191 PTPDHPSRSMTKTA-KKUMJFAQSA-N 429.539 0.702 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 10690267 JNNMRNIUOCQVHF-FQEVSTJZSA-N 448.501 0.443 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCN1c1nccn2cnnc12 433491106 LOXWAFHLCMXKIO-LBPRGKRZSA-N 428.434 0.804 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 433964448 JTNODPANAZFVTO-UHFFFAOYSA-N 441.513 0.974 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1=O 440257120 OLYOLEVLCSGGRQ-HNNXBMFYSA-N 426.470 0.260 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccnc1 440387071 DJHWQYRPBXAUPJ-UHFFFAOYSA-N 431.477 0.817 30 20 ICED CN1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(C)C 440985465 PDUGESMTGCSRLY-UHFFFAOYSA-N 448.593 0.600 30 20 ICED C[C@H]1CN(C(=O)Cc2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)C[C@@H](C)O1 445403935 PHZJNHSOUHBWTA-OKILXGFUSA-N 433.490 0.940 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 446520261 CEMYVBZHCYPUFQ-UHFFFAOYSA-N 430.896 1.539 30 20 ICED Cc1nsc(N2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)c1C#N 461189859 FREBANORHNGEAD-UHFFFAOYSA-N 439.295 0.697 30 20 ICED CN(CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 465070921 FIOOYWSRWGUQHQ-GOEBONIOSA-N 428.536 0.013 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1 475673564 OOBPVRMYBIQONU-UHFFFAOYSA-N 429.520 0.079 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)o1 480928569 AUGUWMBTQCSKCW-UHFFFAOYSA-N 444.557 0.944 30 20 ICED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490278981 YQNLPWYZJYVURT-IRXDYDNUSA-N 438.575 0.836 30 20 ICED CC(C)[C@H](CN(C)C(=O)CN=c1ccc(C#N)c[nH]1)NC(=O)CN=c1ccc(C#N)c[nH]1 490359743 CBYMYJNCVMHERD-SFHVURJKSA-N 434.504 0.187 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCCC(=O)OC 501774046 IQEUWJWFJSXSLS-UHFFFAOYSA-N 447.488 0.268 30 20 ICED Cc1ccccc1-n1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502048242 LBWAVWWYTZUHBG-QGZVFWFLSA-N 449.536 0.739 30 20 ICED N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cn1 507457399 UMEFFBAVNUZXHY-UHFFFAOYSA-N 436.515 0.594 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc(Br)c1F 508307963 XGFYLIZNVHAQOU-UHFFFAOYSA-N 439.201 0.593 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 508944564 FTYGECBBSAFIPB-UHFFFAOYSA-N 433.538 0.843 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCN1Cc1ccccc1 513063514 IBQSUNPLKSMKHB-LJQANCHMSA-N 447.499 0.193 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CC1 514914164 HJFMTGHPYZINHH-UHFFFAOYSA-N 441.509 0.687 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C2=O)cc1 518430254 QBFGFCAOSIYVDO-VQTJNVASSA-N 440.500 0.429 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 520085555 TVQZVLUVGFJCGR-UHFFFAOYSA-N 449.500 0.938 30 20 ICED COCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 532713389 NHDPJPBLHFXSEV-INIZCTEOSA-N 439.538 0.029 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C 539943528 PRHMDLKQUWZBGJ-UHFFFAOYSA-N 446.485 0.409 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCn2cnc(C#N)n2)c1 557637940 GRMOAPNOLRZMQH-UHFFFAOYSA-N 431.522 0.820 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc1 558167831 XHDLCKOFOVUOOI-UHFFFAOYSA-N 444.542 0.614 30 20 ICED CCOCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 568450154 LMFOIXHDRDOGFC-UHFFFAOYSA-N 436.534 0.618 30 20 ICED COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 568565854 ZDGKITQHVJCRDZ-INIZCTEOSA-N 428.493 0.606 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 574661707 VEMPINXPWFPJSP-OAQYLSRUSA-N 439.560 0.703 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 577196477 CLHWSHOVJGOGTM-UHFFFAOYSA-N 437.500 0.939 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 579269350 MQYQOBOWPQKTJP-NRFANRHFSA-N 441.576 0.695 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 585737117 AOYNVFCXCLQJEY-SFHVURJKSA-N 441.580 0.428 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H](C)N1CCOCC1 588062486 ZVYARSPGQBAWRL-GJZGRUSLSA-N 430.509 0.298 30 20 ICED CCN(C(=O)CN1CCN(CCC#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 611173868 ORWXSHSOYJDKQY-UHFFFAOYSA-N 439.520 0.464 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 726982373 RIYNRZYKQNNRPF-UHFFFAOYSA-N 429.477 0.484 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 728534875 WOURTIBYJQGCFE-UHFFFAOYSA-N 446.573 0.677 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CC)c2)c1=O 732563358 VVBOAKUHMKHIGN-UHFFFAOYSA-N 438.513 0.699 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746665241 ZQAXBYILSUHMEB-PGMHBOJBSA-N 445.567 0.949 30 20 ICED Cc1nccn1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 748113449 ITDZCMHMDKEMSV-QJOMJCCJSA-N 432.506 0.759 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 749703661 KXUXSSXZHOPXIC-INIZCTEOSA-N 448.495 0.462 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 757065055 FHSPFYUOZMBMER-OYHNWAKOSA-N 433.472 0.853 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 757290348 DSIVADIEFCDKBY-HNNXBMFYSA-N 449.471 0.976 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1N 766354785 PJPOWQFPDOTEOO-LBPRGKRZSA-N 435.462 0.424 30 20 ICED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 771077599 FYJOLOZXEKQQEW-UHFFFAOYSA-N 430.464 0.355 30 20 ICED CN1C(=O)CC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786188712 AXSOVSOAEKROFZ-CQSZACIVSA-N 427.417 0.619 30 20 ICED C#CCCN1CCN(C(=O)Cc2c(C(=O)N3CCN(CCC#C)CC3)c(C)cn2C)CC1 787284436 SCOYUYOUDGIHCP-UHFFFAOYSA-N 437.588 0.825 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 787754174 LSKSGHREYBEAAX-UHFFFAOYSA-N 438.463 0.995 30 20 ICED C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H]1CCCO1 800942920 LOLZKRJTQZBOOK-QZTJIDSGSA-N 437.493 0.589 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc1 807548212 RHRPVNHGKHYUNC-JWGURIENSA-N 440.522 0.342 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCO[C@H](C)C1 807619511 ZGOWQQWNSMXMEF-QRQCRPRQSA-N 427.457 0.942 30 20 ICED C#CCN1CCC(C(=O)NC[C@H](NC(=O)C2CCN(CC#C)CC2)C(F)(F)F)CC1 819463914 MPZIUAAWWRSLBC-SFHVURJKSA-N 426.483 0.840 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 820775898 OXZFWLQQZXEIGY-LBPRGKRZSA-N 426.451 0.375 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 914993232 DMHHYYUHEGRWPH-AWEZNQCLSA-N 426.477 0.806 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919648324 VVQGHIRRULQUEH-OAHLLOKOSA-N 449.485 0.929 30 20 ICED COc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c1 1166661150 VDLGQDIPRGKPLV-UHFFFAOYSA-N 425.445 0.631 30 20 ICED C[C@@H]1CN(c2cccc(CN(C)S(=O)(=O)N3CCO[C@H](C#N)C3)c2)S(=O)(=O)C1 1211687073 ZBCWTSWALGWWTC-RHSMWYFYSA-N 428.536 0.373 30 20 ICED O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 1253096355 PXLNVBRLGUSGJE-MRCUWXFGSA-N 426.477 0.153 30 20 ICED CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1314546501 VVLNTXSZUPIRHO-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(CC#N)CC1)n2C 1318314582 SKOZJDQOCNERLN-UHFFFAOYSA-N 432.550 0.860 30 20 ICED CC(=O)N1CCN(CCn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1541007131 JITWODIWWASXTP-OAQYLSRUSA-N 437.548 0.956 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1610270178 LCMWGGPXRWFOHX-UHFFFAOYSA-N 436.563 0.713 30 20 ICED Cn1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1618425565 RMBWBBSXQWLHEH-QGZVFWFLSA-N 448.553 0.327 30 20 ICED N#Cc1cn(CCC(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)c(=O)nc1O 1630541337 UELPPZXTXGQINZ-UHFFFAOYSA-N 429.502 0.091 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)CC1 1706004339 KAJNDCWXVTVDFU-MRXNPFEDSA-N 427.557 0.900 30 20 ICED Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1725929577 MWGKAVFFTWXRNF-AWEZNQCLSA-N 435.554 0.675 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1760694685 ZAVBRFHXUOMOHT-LBPRGKRZSA-N 430.423 0.898 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1767840750 MJKWXDXYSJRSPE-BEFAXECRSA-N 447.496 0.628 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1769442647 ODOSJZJKUNIBQD-HTAPYJJXSA-N 440.504 0.795 30 20 ICED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055160 YSZBVTZHGNIGQM-OAQYLSRUSA-N 435.444 0.318 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779064926 KHXXPGZTYUPPMU-LJQANCHMSA-N 446.422 0.620 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1779269301 CWXLMBFYSUIMQV-WDEGROJVSA-N 426.473 0.951 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780696631 WACCVFUPUJTBQH-QHCPKHFHSA-N 425.533 0.639 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c(C#N)c1 1781173227 AKHVPUUJNRVCKM-NRFANRHFSA-N 425.445 0.682 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781425276 DQZQYKFACVPNJO-IIBYNOLFSA-N 446.508 0.025 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1781692561 YNMXCJOEKNQBRN-MPWIWIEXSA-N 435.521 0.361 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854205 RCELMCXDCDZQJT-SIFCLUCFSA-N 427.498 0.251 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1cccs1 1782661307 WJFDLCSDOKIGSM-YEFOHOTDSA-N 442.497 0.574 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(C#N)c1 1783164835 DKCNWNANUBAFOD-VGSWGCGISA-N 426.473 0.075 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783562107 BZNUXHYEMSGAAH-UWJYYQICSA-N 435.477 0.208 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1784493187 RILCCUUVQHBQIT-XSLAGTTESA-N 428.551 0.526 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)[C@H]2C1 1784795726 HMJLDLMGUSBYKW-MUJBESKKSA-N 434.533 0.984 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1785377461 INLSSCZTDZCTCE-VGOFRKELSA-N 426.473 0.293 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785589151 BHFKZXBWORKYPA-APYUEPQZSA-N 427.548 0.397 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)cc1 1786699786 QDJRKCZZPUIVKC-WDSOQIARSA-N 445.541 0.916 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786795720 KSARZZFSUNOZQF-HAGHYFMRSA-N 444.532 0.796 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788244856 LTRRFFWGOZGBMQ-FKBYEOEOSA-N 446.592 0.899 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790861267 BOYHHGVVGLFXQQ-ZMMAXQRCSA-N 426.473 0.053 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)cc1 1792426378 XQASWRLWMYANIS-XEMDLRDOSA-N 440.529 0.991 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1793345632 YJCHPTWHKJKLJA-RDPOXOKHSA-N 430.501 0.689 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793385344 LFJMIHOYPRJPQY-JTTNIQEDSA-N 431.555 0.374 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)cc1 1796955386 TZAWTWFGHGIIPC-IZZQQSIFSA-N 431.456 0.442 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)c(C#N)c1 1799238009 SWCLQKOGTZSQTA-FCQWJQKHSA-N 440.500 0.225 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cc1 1799641355 ZUIBVCMVBQKZPL-XEMDLRDOSA-N 438.444 0.761 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1799795834 OVMMQFLGFMWXIV-IHSNIMORSA-N 444.488 0.902 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883000 ACQQISSVUCJIFF-CWPLJXCYSA-N 438.488 0.506 30 20 ICED C#CC(=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 1800453440 JPPRAAYDIABUOW-BASYENTBSA-N 437.493 0.056 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F 1802377958 XQBFZYUAVDXQHH-MLJOEETQSA-N 434.415 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCSC(=N)N)[C@H]1c1cccnc1 1802480361 FTLWXDMGRHRJNO-VPCYTDGVSA-N 444.561 0.963 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804197609 IOVXZKGPAYKOBX-QILLFSRXSA-N 440.591 0.136 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CC1 1806841991 LQAZOXAOARIEMQ-PKOBYXMFSA-N 445.545 0.122 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1808463997 JNOGOUBAQDSCNC-HHXXYDBFSA-N 441.492 0.845 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)[C@H]1c1cccnc1 1810100433 SRMZWKLPIPAPFM-PCODUJHASA-N 449.508 0.953 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCNC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1812874600 LSGGMBIYJZJRST-HRAATJIYSA-N 437.456 0.324 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815197602 WRFZITBYAGBDRU-JSGCOSHPSA-N 427.398 0.165 30 20 ICED CN[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1)C(=O)O 1819393439 XDAZDYSTYQLMFS-OKPGWNJLSA-N 433.513 0.936 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)n1cnnn1)CC2 1822930826 VTKPEPHIDNQIQH-RYUDHWBXSA-N 433.494 0.812 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825074665 PEIUOKNPKNAWET-ULQDDVLXSA-N 434.537 0.777 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccn3c(O)nnc13)CC2 1825665261 AANQRALNLYHNFQ-SECBINFHSA-N 426.414 0.205 30 20 ICED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829460230 FVMPAURHXIPQMA-QFIPXVFZSA-N 429.473 0.163 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1829755349 ACZMREANTGSCEA-SCLBCKFNSA-N 440.526 0.451 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829802965 BJRMCEKHUWRLMD-JPYJTQIMSA-N 426.517 0.861 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1830061692 SAPVWWMQFVUILT-XXBNENTESA-N 439.516 0.759 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831208000 FUKKIPJLFFUGGI-QHCPKHFHSA-N 443.569 0.976 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831341516 SWDCZXAXBIPFEX-OAQYLSRUSA-N 449.529 0.257 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831392118 BOOUHTLMXJGLAL-OXQOHEQNSA-N 434.518 0.063 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831407405 YFBJXGUXDDBBHF-QFIPXVFZSA-N 433.505 0.288 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831491045 UCDVHXQUJMTUDZ-BEFAXECRSA-N 425.555 0.883 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1831998982 VWTODIBGEILCBU-IIBYNOLFSA-N 439.509 0.501 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783731 OUPJNOJKAQMCNS-IIBYNOLFSA-N 436.509 0.783 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833353604 FNJDQBQMVGDRFM-QFIPXVFZSA-N 441.463 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833643135 NHYZAUDZQDSVCF-HTAPYJJXSA-N 430.505 0.256 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833706668 IUGAKJBVBGOERB-NRFANRHFSA-N 440.610 0.128 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834329344 HIARGJDBXWTBTR-JOCHJYFZSA-N 449.471 0.552 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834775054 MZTWNXHEWJZHII-OJCVGBIZSA-N 425.482 0.363 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686832 AXZNNDRKNHROKY-URXFXBBRSA-N 443.544 0.920 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837503485 VLDOKXDASLFGSX-XERREHJYSA-N 440.493 0.150 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837524575 JUFDFYBPUHEPPL-OKQJOYLDSA-N 447.492 0.005 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567853 VNIBEPZNNTYTGA-HPARJBSBSA-N 449.504 0.744 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838392698 BZXLDRMZRCZHKP-PCLIKHOPSA-N 444.536 0.854 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)CC1 1838509885 LQIHVSAYTUTJAX-IBGZPJMESA-N 428.474 0.460 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579604 SUHJEJIVHCJJRE-ZHRRBRCNSA-N 431.489 0.919 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048377 YQZYMBRYKIKIKI-OAQYLSRUSA-N 445.545 0.647 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1839470908 LEKXRHQHTOTNOG-JOCHJYFZSA-N 437.456 0.833 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)NC(=O)CC5)CCO3)C2)CC1 1839608565 LESBBRVJZNXHQK-HSZRJFAPSA-N 438.484 0.945 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623175 QDOVQEYNSCOIOL-OAQYLSRUSA-N 427.436 0.352 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CCO2)C1 1839696017 AFNZXXGTLWKWAF-WCLQXYBISA-N 434.562 0.600 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840609172 UKIBTDZTJFZTRN-VAWZGJIGSA-N 425.485 0.829 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)C1 1840725544 YECVCFKEFOFZRJ-SBUREZEXSA-N 443.500 0.753 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5ccccc5CN4)C3)C2)CCC1 1840813796 WUTSLQLAPMBLCU-HYBUGGRVSA-N 438.528 0.851 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1840818827 ZMUOXXPHZVUHSK-NRFANRHFSA-N 426.429 0.695 30 20 ICED N#CCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 16114237 OSHQDRODRCBNFM-CYBMUJFWSA-N 429.882 0.984 30 20 ICED Cc1nn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(=O)c(C#N)c1C 27944942 MAMQBODWPVSOPR-IBGZPJMESA-N 437.456 0.243 30 20 ICED C[C@](C#N)(NC(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 29190722 FKCMDYDYEIKOEK-HXUWFJFHSA-N 433.534 0.793 30 20 ICED COc1cc([C@H](C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC 110568502 TVXMMQPUFUCEGL-AWEZNQCLSA-N 439.428 0.653 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1 410198785 LVJBLYDUXRLAEG-UHFFFAOYSA-N 434.316 0.821 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 437716167 JJKSNVGJIQEMSC-ZBFHGGJFSA-N 439.476 0.467 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 440054457 SWMHNPPETARZGT-UHFFFAOYSA-N 444.923 1.219 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2C)c1=O 440376372 FSTIZGMCIWJUSR-UHFFFAOYSA-N 433.555 0.926 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCOC1 441944151 WAIJGAPNXNNHOV-OAHLLOKOSA-N 440.481 0.660 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)cc1 441955833 SGSUPZKMJJKPAB-INIZCTEOSA-N 427.526 0.983 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 447021227 PXUNGQUDJNVVCD-CQSZACIVSA-N 429.506 0.724 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c1 463623742 NGBOZUVSLKHIOV-HNBVOPMISA-N 436.468 0.898 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CCOCC3)C2)CC1 464807869 BWZLNRVWQMVQPC-UHFFFAOYSA-N 432.546 0.894 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)nc2)C1=O 466505273 KQANLZNJFXIPGY-RBUKOAKNSA-N 439.516 0.799 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 482839855 VCPNSKSSLVTHFL-IAGOWNOFSA-N 447.561 0.380 30 20 ICED N#Cc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)s1 484432819 OVEGRCWEIMKQMV-CQSZACIVSA-N 443.550 0.727 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 488991779 YOMOTWSIOIDSPG-HIFRSBDPSA-N 441.534 0.988 30 20 ICED COc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 489174451 XUJQQVNAQBOQCS-UHFFFAOYSA-N 434.315 1.000 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F 502040295 FAWUGSAKQYHYSW-UHFFFAOYSA-N 441.488 0.427 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1CCCC1 509267507 BLLVBJNXVZZFCA-BFYDXBDKSA-N 448.615 0.682 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)cc1 516692173 DDXBVWDSEZJYBC-UHFFFAOYSA-N 447.517 0.598 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)c2)CC1 524092967 HFLABHVDWWQQLY-UHFFFAOYSA-N 441.513 0.749 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)nc1 531884106 KEHYDWJAZNXXOD-UHFFFAOYSA-N 448.460 0.213 30 20 ICED Cc1ccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)N(C)C 534833469 DBEXIGWGZPHFGB-UHFFFAOYSA-N 433.538 0.925 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 540227489 DVEJUHFKJSURJG-UHFFFAOYSA-N 435.550 0.939 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1=O 541826502 VCDKOMINXXCKJJ-HNNXBMFYSA-N 431.536 0.864 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)c2cccc(F)c2)CC1 542886908 QEYKIRIDNSQRJP-LJQANCHMSA-N 446.504 0.853 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1F 551427258 CITURYNEZWORLX-AWEZNQCLSA-N 447.448 0.619 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 557501483 KEYMIKKAALQAHQ-HZPDHXFCSA-N 425.468 0.814 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1 561364573 BYBZBCQUCFLGQJ-UHFFFAOYSA-N 429.289 0.990 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 563787248 YVXRHFPYNOGYGU-UHFFFAOYSA-N 427.486 0.284 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C[S@](C)=O 564598838 HPOFJJBAJKDKPE-WYIRRWHOSA-N 426.502 0.903 30 20 ICED CCOC(=O)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567269956 DODROOFUTQKACS-LJQANCHMSA-N 440.500 0.967 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2=O)cc1 567270041 HLCZWXHUCJUANG-OAQYLSRUSA-N 446.511 0.515 30 20 ICED CCNC(=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 567784615 PIHOLSFLMCTQNV-QGZVFWFLSA-N 425.489 0.592 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 571811930 FDIYWUZYBWBOIU-CQSZACIVSA-N 433.442 0.121 30 20 ICED CCNC(=O)C1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 572155630 NTHDUWPBARBDQD-KRWDZBQOSA-N 425.489 0.198 30 20 ICED COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 574785003 UJSNAKDCXQJRDK-OAHLLOKOSA-N 440.504 0.841 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 576785574 BQOZMECMYSBZBP-OAHLLOKOSA-N 426.433 0.177 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(CC(=O)N3CCCCC3)CC2)C1=O 725767988 GUZBYKSZGSFALA-QHCPKHFHSA-N 438.532 0.913 30 20 ICED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 730390702 XZVYPGVNXUBSRS-JZRFMTABSA-N 435.506 0.175 30 20 ICED Cn1c(SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnc1-c1cccs1 732911305 ZFCKQLFVLQOWOF-NSHDSACASA-N 439.544 0.602 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CCCSC 758586686 RJQJOPHRFJHUON-UHFFFAOYSA-N 443.598 0.907 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763460393 HGIJLTHZPCSQFU-UHFFFAOYSA-N 427.574 0.790 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 766560339 QFBDGZKIQAJOSB-OCDBCJEZSA-N 444.517 0.835 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(C)c2=O)cn1 772277687 QLDCBXHKEPLUBX-UHFFFAOYSA-N 430.436 0.954 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@H]1CCCO1 773794277 LMISECWTGXGOAD-WOJBJXKFSA-N 426.517 0.629 30 20 ICED C[C@H](CC(=O)NCCC(=O)NCc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 773960388 SKZXMMSVSLPQAW-CQSZACIVSA-N 429.502 0.721 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@H]3CN(Cc4ccccc4)C[C@H]23)c(=O)n(C)c1=O 781126584 BDOLWTGHZCKFTI-IRXDYDNUSA-N 445.545 0.650 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 782998016 WFVUGLYHYLPSJW-UHFFFAOYSA-N 431.536 0.108 30 20 ICED N#Cc1cc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c[nH]1 786906158 DSCNYTNWNMTDPP-UHFFFAOYSA-N 432.458 0.380 30 20 ICED O=C1NCCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1Cc1ccccc1 818131053 CURXIDJECPVNAZ-KRWDZBQOSA-N 426.498 0.685 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918098274 UJVOFYHDFDXMFD-UHFFFAOYSA-N 444.513 0.899 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(Br)c2)c1=O 918729825 KEKPHUKIWLIPDO-UHFFFAOYSA-N 435.278 0.926 30 20 ICED CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 1116279888 OEYLBTLMSAAXEH-LSDHHAIUSA-N 431.518 0.864 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1261914027 QHBGXACPTCCODX-KRWDZBQOSA-N 433.534 0.642 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1301012196 QROMCHBQOQZRJK-SFHVURJKSA-N 448.549 0.996 30 20 ICED CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)C1CC1 1316346186 ZAEIKVYMVCNJFX-HXUWFJFHSA-N 431.518 0.982 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(-c2cccc(F)c2)c1C 1473539762 NIGRSDHBJJOHLQ-UHFFFAOYSA-N 426.452 0.673 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1499300059 KOTWDCLVIHTEMJ-GOSISDBHSA-N 435.492 0.706 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1504532059 LPOZHAGGRZAIPP-AOMKIAJQSA-N 440.504 0.652 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCSC1 1541922425 ITIXXBAXNDZQQF-GUYCJALGSA-N 428.584 0.886 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1544555319 UNHLBSJFMFSNRI-XOBRGWDASA-N 444.517 0.033 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1570154824 XMAARTYGZYTHKK-OAHLLOKOSA-N 438.506 0.589 30 20 ICED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659301485 XZDYRNKKJKAORS-NSHDSACASA-N 434.243 0.512 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1706003662 QDCZMDRPIOQDQM-UHFFFAOYSA-N 428.541 0.418 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1747707593 SCJNDAVNKXZBNA-INIZCTEOSA-N 426.506 0.865 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1760374987 ZXMZGBSVRFLNNG-YOEHRIQHSA-N 431.946 0.980 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1766694205 XOAWCGXTAHPDLQ-HNNXBMFYSA-N 446.533 0.830 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444939 DTPSHYSGIAFDTD-VSIOZEBNSA-N 425.493 0.645 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1778972869 XBVSOSFVFRNWAM-KKSFZXQISA-N 434.493 0.116 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1778999531 GTFZJOACMADUHG-OAQYLSRUSA-N 433.629 0.707 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016040 KTQDEZHNWBUSIL-UQQIOGDDSA-N 428.493 0.096 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779104767 NWNHWZUUEDYHOU-PPGLHRCHSA-N 438.525 0.068 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c1 1780167683 DLGADZXRXLKKNX-OAQYLSRUSA-N 425.445 0.763 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1780739799 ZHLMLUZOYYYQPD-XMSQKQJNSA-N 437.537 0.342 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294677 NWIKRZVVEXNAJW-KNQAVFIVSA-N 430.480 0.984 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 1782010281 HYCVURGWFPRYBA-XMSQKQJNSA-N 428.441 0.560 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3snnc3c1)C2 1782013467 NJCGBNKFIZIUJF-AUUYWEPGSA-N 429.458 0.302 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782481003 AJFOYGCDKJVBHP-BXTJHSDWSA-N 437.566 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1783531337 SCJOZKMQUYKTME-RVKHQLRBSA-N 438.488 0.181 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1784020079 ZRVMVDWKOWXSGU-GWJPWWOOSA-N 427.501 0.854 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784366242 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N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)c(C(F)(F)F)n1 1800516043 XLHFLEJTHULNLO-CULMDFNYSA-N 439.394 0.441 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778456 ZAUIHOQISAHIOL-WHZNHKCRSA-N 449.504 0.311 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCn3cncn3)c2c1 1801262927 QSTZOZBNHNIISY-CCWDJLKJSA-N 434.460 0.320 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1803542090 AMCRAWGLSQWXLB-NWSQWKLXSA-N 441.576 0.763 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813229362 MDHLHSHQVOZNPU-NFBKMPQASA-N 430.549 0.568 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)[nH]n1 1815195574 WMEQKUJTMQWLLL-LZWOXQAQSA-N 439.538 0.768 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821604237 SDIWBHIIXHIAAQ-DOMZBBRYSA-N 430.490 0.720 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824511581 LFUBZFXQUUSMOI-UYAOXDASSA-N 425.570 0.484 30 20 ICED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829939693 BQTAAEDIONLXPP-FXYZYZMWSA-N 427.498 0.397 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831392383 LHWZQATZTAOUAK-OPAMFIHVSA-N 444.488 0.148 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831397272 WQKGGXZOIHTWDN-VGSWGCGISA-N 426.473 0.443 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)nc3cccnn23)CC1 1831669971 VEOWIZGBWPRWCH-INIZCTEOSA-N 437.456 0.411 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833075507 UOFKKOHDZKZTOF-ARJAWSKDSA-N 438.532 0.930 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1834765447 PAPWIUIRLFEKBC-JOCHJYFZSA-N 428.489 0.507 30 20 ICED O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1835778656 SWZFKTFEXZPTIW-HIQXPHMNSA-N 443.548 0.796 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835806280 ABAGBODHBOKCJR-KUHUBIRLSA-N 439.538 0.905 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cccc3C=O)CCO2)C1 1835949227 DQSFKQNDBBJHRL-SVMVAKDDSA-N 431.489 0.356 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169226 AGYMXSLKLFJDLP-HXUWFJFHSA-N 444.536 0.223 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836590631 ACBGSHSUIVXMGJ-QHCPKHFHSA-N 440.500 0.793 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837397357 VSAJEYATWPPBHY-JTSKRJEESA-N 443.504 0.601 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837524624 CTTDVXSMGMUPOC-QEPGBGQSSA-N 438.525 0.068 30 20 ICED Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531283 HJQSNLWPVUDRIA-HNNRIZOBSA-N 436.465 0.582 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)on1 1837559802 IGKQPUPAFFDZFE-IQTGRTGDSA-N 430.461 0.694 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc(O)n5c4CCCC5)CCO3)C2)C1 1837753966 AHPREESAJJVNFP-JOCHJYFZSA-N 430.505 0.961 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838215834 PKHHHYVCYRRXKM-FFCJBUTOSA-N 427.461 0.567 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)cc2NC1=O 1838588043 LKGPLYLDLVVKDR-IVZQSRNASA-N 442.472 0.780 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598145 SFDIIMGOFAFGPI-VBKZILBWSA-N 434.880 0.416 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759070 TWBMHPCFTSHMAF-HTAPYJJXSA-N 449.552 0.676 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838763019 YXUQGXZNWDBLEO-MRXNPFEDSA-N 449.455 0.813 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1839224118 FCYWLHOLYHTESU-DYESRHJHSA-N 435.525 0.610 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839484151 ZPJUFTMTMMCLDH-BUXKBTBVSA-N 449.489 0.859 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839590718 ONBXOYABUVJLFF-KSFYIVLOSA-N 444.463 0.582 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636971 ZPUPYJPSBZCRTJ-RRMPHLOHSA-N 432.546 0.527 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839637699 QQFXUOPAPCKOSZ-MBSDFSHPSA-N 428.533 0.897 30 20 ICED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839678331 TZUGYCYDZSEZEH-JTSKRJEESA-N 431.537 0.934 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839694401 LRKSOARUVCWICC-BTYIYWSLSA-N 434.562 0.158 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(C)=O)CCO3)C2)c(O)n1 1839857712 JZXPHOSFPVARNA-JOCHJYFZSA-N 446.504 0.112 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839880221 JYAQPFHUDJAAQW-IVZQSRNASA-N 446.479 0.221 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)ccc1F 1840014939 MXGWSGLHRCUBDT-SIKLNZKXSA-N 431.464 0.875 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1840043053 FKVVIMMLRBUGPE-JOCHJYFZSA-N 425.441 0.255 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840294935 VJEBJLTWMIMKIU-QHCPKHFHSA-N 446.592 0.416 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840456310 IEDUBXZTNKQZKS-DEOSSOPVSA-N 434.496 0.917 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840496449 WMKCOOGMGHJRDH-QFIPXVFZSA-N 445.520 0.068 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812131 ANCJWVXLQYIOFI-JKSBSHDWSA-N 433.505 0.726 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813206 MKXFICAVTYKCNE-QFIPXVFZSA-N 428.489 0.783 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1841599692 HYEWQJSHSDPRBH-ULQDDVLXSA-N 435.521 0.598 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843916035 FMJWTCNORQAOSH-GOSISDBHSA-N 447.580 0.354 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 441668333 PZQQLLWOXMMQMU-UHFFFAOYSA-N 445.483 0.941 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)s1 441959936 NTJCPYOVZMYZGX-LBPRGKRZSA-N 431.539 0.798 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 461736868 MNIYPOZBGANCPR-UHFFFAOYSA-N 442.457 1.364 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)nc2)C1=O 466505275 KQANLZNJFXIPGY-RTBURBONSA-N 439.516 0.799 30 20 ICED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472862494 YXSFEFMKZCUFOQ-UHFFFAOYSA-N 439.476 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CN3C[C@H](C)C[C@@H](C)C3)CC2)c1C#N 481049773 OZFYLJMVHPGXTD-BRWVUGGUSA-N 429.569 0.731 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 481249682 JGKXWKHDSILIGC-AWEZNQCLSA-N 442.501 0.068 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 499342091 IKPCKVCYSIFWEX-UHFFFAOYSA-N 441.579 0.440 30 20 ICED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508907766 OUWOJYNRMGLMOQ-BRWVUGGUSA-N 440.570 0.444 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C(=O)OC 511301952 CDZQPYPAHRZUIO-JKSUJKDBSA-N 437.474 0.445 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O)c1ccccc1 522119917 MGDWLBZNLMJSLJ-UHFFFAOYSA-N 436.468 0.700 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC)c1=O 522283717 JRCVRPNLGVINCE-UHFFFAOYSA-N 431.514 0.221 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 523256260 AAWQSEABVVLAEH-UHFFFAOYSA-N 432.505 0.864 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545856364 FBEQPHICKMEMMN-ZFWWWQNUSA-N 446.489 0.467 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 548897411 FDRPRNIBGFJZAA-UHFFFAOYSA-N 431.489 0.876 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 553405947 HIFXSRCMGOPYDA-UHFFFAOYSA-N 441.575 0.705 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993165 WZOUDGZVSMKQGU-UHFFFAOYSA-N 438.488 0.821 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 603880721 CBYCABRTTBXNDX-UHFFFAOYSA-N 432.488 0.993 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 608889587 GGKHRCMWUITAJI-UHFFFAOYSA-N 444.469 0.653 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 609005732 WFNDYXJFIKVJST-IBGZPJMESA-N 448.483 0.578 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 609037623 UUTXYWHZFJFYMN-UHFFFAOYSA-N 427.555 0.977 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 609954048 QDUDYTKPLLBZNM-UHFFFAOYSA-N 441.879 0.795 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 611003677 NNKMDIVOYVNUMM-HZPDHXFCSA-N 449.577 0.980 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492464 IZGNKKCDDNCGEX-UHFFFAOYSA-N 432.433 0.561 30 20 ICED CC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 728030565 FCCITCJYMHHLKD-LJQANCHMSA-N 433.490 0.711 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1 728572780 CHAOWOPEWLRETN-UHFFFAOYSA-N 429.477 0.629 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)C(=O)N1CCS(=O)(=O)CC1 744129610 AEHLZMPUTQTYSN-ZFWWWQNUSA-N 447.542 0.874 30 20 ICED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(CC#N)CC3)c2)CC1 744551281 ACKXBNJLXYMETE-UHFFFAOYSA-N 439.969 0.948 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1 749020086 IJAWHIRNOMORFG-UHFFFAOYSA-N 439.471 0.106 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 749667728 WWSDTTSFBOGITL-UHFFFAOYSA-N 445.476 0.037 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(N)=O)nc1 753647157 GVPYXQNNOYJVIX-INIZCTEOSA-N 429.502 0.950 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(COC)o2)c1=O 765144923 MIISTKAISBJVCQ-UHFFFAOYSA-N 431.514 0.857 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 767550370 KPOKFUCOYKMPTF-UHFFFAOYSA-N 436.472 0.637 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cncs3)c2=O)cn1 767890623 JPIVLHMCTBPMEQ-UHFFFAOYSA-N 439.522 0.885 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767953434 QPNCLPKZBCOKJC-UHFFFAOYSA-N 445.541 0.908 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(C(=O)N2CCC(O)CC2)c1 777836423 QFTKHPYKKWISLN-UHFFFAOYSA-N 442.497 0.961 30 20 ICED Cc1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 780195534 UZVOHCTVMFHVGI-AWEZNQCLSA-N 445.457 0.222 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782571861 ATKJIPXWYUPTMQ-UHFFFAOYSA-N 446.445 0.023 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)[nH]c21 786558222 PEDQNHDRXZKVKB-LLVKDONJSA-N 430.371 0.598 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)CC2)o1 793144418 RKSAZHLUJXDJEP-UHFFFAOYSA-N 431.474 0.984 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 794609116 OLHBNMMDEDTHDT-AWEZNQCLSA-N 429.546 0.894 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)C1=O 799176034 BHUHXFXTHAEDGB-HRAATJIYSA-N 429.477 0.212 30 20 ICED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 804095534 IDZGYYNGXVHJOI-ROUUACIJSA-N 432.908 0.402 30 20 ICED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 804743321 UAFMRUAEUDDCRB-ISLYRVAYSA-N 440.909 0.959 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1 807660262 LFPFKMAEHJDAHE-IBGZPJMESA-N 427.549 0.526 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 809773112 JOBVGOLPNIABEJ-UHFFFAOYSA-N 445.524 0.938 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812280609 GYYLNWXEEYRABD-JOCHJYFZSA-N 447.536 0.727 30 20 ICED CCn1ncc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 815426624 SKRLUMFUJKESFO-UHFFFAOYSA-N 425.405 0.923 30 20 ICED CN1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C2)C1 815746838 WOIWOMFIFVFYLR-XIBJSWNYSA-N 447.561 0.992 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 816753286 DXBZVYUIVHGPEJ-CABCVRRESA-N 427.479 0.213 30 20 ICED CSCCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 839371267 WGAGDHSJOMWKQE-UHFFFAOYSA-N 440.554 0.933 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 914564813 DZUWKBHHUIKPCA-YOEHRIQHSA-N 429.546 0.488 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)o1 915377770 HXELYKLPEQRAEK-UHFFFAOYSA-N 447.473 0.732 30 20 ICED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1302508440 NALLFFOCDVFFMD-GDLZYMKVSA-N 449.558 0.875 30 20 ICED CN1CCN(Cc2cccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1318277759 BCGIFBHLCIDVGT-UHFFFAOYSA-N 441.557 0.789 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1508632032 MOIUABIZIYTDLM-LSDHHAIUSA-N 431.497 0.825 30 20 ICED N#CCCN1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1631275551 UPXQHHBWSVUBDP-GOSISDBHSA-N 428.541 0.523 30 20 ICED CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1741293718 UOTQAHAUSGKFFP-UHFFFAOYSA-N 433.538 0.574 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C(=O)NC 1760301288 WRDPAMRSGWQYLY-MWLCHTKSSA-N 437.364 0.615 30 20 ICED COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1771113191 MEQBDIWWZVFNIR-LJQANCHMSA-N 434.522 0.180 30 20 ICED CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1771341995 LIUYHHIYHINRLT-UHFFFAOYSA-N 435.531 0.629 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778710732 KMRWOCHHNKMSMU-QMHKHESXSA-N 441.484 0.838 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1778959027 DOPDJJJXRZXVMI-AOMKIAJQSA-N 443.504 0.475 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779105922 HNQJDNNOKIZMNO-YGOAVPTMSA-N 447.492 0.638 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779135847 HPRZOLKUIRUHIE-TZVKMXPSSA-N 431.367 0.634 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396138 PLKONKRLMUIYGJ-XMSQKQJNSA-N 448.564 0.470 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779420950 AYUHKNSWMYWPHI-DLVKNRNASA-N 435.481 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780635899 FKMBMKKOPQOIDJ-GLHSZLCASA-N 436.597 0.727 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1780739703 VZZQWUZGHKEUKT-VGOFRKELSA-N 435.521 0.632 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780901682 OCAWQAJAPKKNMI-QZMQVMSPSA-N 445.491 0.812 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783133937 NZWLRPHASIVFDP-LERMDLETSA-N 442.516 0.976 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)(C1)C2 1783443384 KIWZGYCMSUVGBK-JDQGBSQQSA-N 429.473 0.872 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4)C[C@@H]21 1784482593 NSIKDPSEGICBEH-XIVBQZFQSA-N 425.485 0.813 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785687275 VHMURQYQEWWSTF-OTRWWLKZSA-N 436.484 0.949 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786790691 UIGMOTIYRMIGIF-ICUGJSFKSA-N 436.553 0.478 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)nc4n[nH]cc34)[C@H]2C1 1787238336 IMSXWWGKBYKITP-BPNCWPANSA-N 431.836 0.293 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788571227 CIQBBIIGNXZLLH-PYTWLRIVSA-N 432.477 0.341 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1788572024 XRIXZIVJXPBKLH-QSPRXWTASA-N 430.505 0.347 30 20 ICED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1788594265 LPTDKSVKXVXBQX-BZSNNMDCSA-N 432.601 0.704 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788600881 HARCJFZELXLMGB-HNFFUWDWSA-N 439.520 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3sccn13)C2 1792489942 DKMVABYLEZBZOW-FKJOCPDWSA-N 443.529 0.766 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793310180 QRMQNLDLEYACEK-DEYWJSPQSA-N 448.545 0.018 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1793664777 VAGUXRUHLRVUGH-SCAQPMJSSA-N 436.509 0.252 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)c1 1793763512 WHILOQDQOIPLKJ-PJKMLTEKSA-N 439.472 0.069 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796106993 BNNCHHTVLPXWMY-YWVIFJGQSA-N 429.481 0.008 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566271 DEWIQOCNFXULHG-PDOICOKGSA-N 446.500 0.630 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798921718 JRMNBABIQPGPEV-RUGDWHBFSA-N 434.518 0.089 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105063 PUOXLXSVDZVAOS-NFFDBFGFSA-N 427.548 0.027 30 20 ICED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)C1 1802405401 IWLFXBRUOCSJHI-WIYYLYMNSA-N 446.573 0.784 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1802487107 FSHLBNWWYQXIRB-RFWKKBFOSA-N 435.484 0.893 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1803547356 JIDWMBJKCZSREB-XUWXXGDYSA-N 425.445 0.641 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806590455 OSXDKKDNVRCCBS-UHFFFAOYSA-N 434.493 0.279 30 20 ICED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)C(=O)O 1807146095 VIGCOWGWLRSMLA-SCTDSRPQSA-N 444.536 0.432 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1814919812 KTHWHLKWUQBZQB-YSRRJJCPSA-N 432.554 0.367 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)NC(=O)OCC)n[nH]1 1819237165 AYWHHCPIHUQLDV-FESJHMCCSA-N 448.480 0.325 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1819468887 YLEJBKFPZRJEKB-QFYYESIMSA-N 432.462 0.633 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819899405 VGPVIWPRXFEKRN-QZLZEDEMSA-N 435.506 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(O)nc2O)CC1 1823744122 NBVGWEOKYTZHSR-JTGQJZMRSA-N 443.504 0.980 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673673 IGNIDPAQHAZWQG-ZWNOBZJWSA-N 438.506 0.171 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1829630191 YCQXUXZZNGWFRH-CVDCTZTESA-N 440.500 0.226 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(CC)s3)C2)C1 1829770603 ZXYWOMAJMBRDRJ-RMUOZIPVSA-N 448.545 0.634 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1829903688 BRWDWUITZHQGMM-OAQYLSRUSA-N 426.429 0.565 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831188831 WNTFIAOJFCLVNX-IVZQSRNASA-N 446.479 0.682 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3COc4ccccc4O3)CCO2)C1 1831233299 DCLHYRFRLOKYQZ-GCKMJXCFSA-N 436.530 0.991 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1831425223 RVPGBUYIKPCQJM-KKLQWCBXSA-N 431.533 0.776 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832521449 BPKAKBDPDYJCRQ-LDSCCMFQSA-N 438.565 0.815 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832692571 XLJIUSZCHMRNIN-VFNWGFHPSA-N 436.509 0.033 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833316071 ORZWNNQYZBDNTP-LJQANCHMSA-N 438.431 0.462 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1833427269 QQVKWJWZJBREGV-AUUYWEPGSA-N 445.589 0.774 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1833473435 KTANWMHBXQDOQM-MRXNPFEDSA-N 443.548 0.957 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1833475793 YNQXTUOLSWUEAK-QGZVFWFLSA-N 436.553 0.991 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097053 QJIWXVMGWKCNML-XMMPIXPASA-N 448.479 0.302 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1835680051 KHAGLJCJBHIGSV-OALUTQOASA-N 445.564 0.925 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835914674 UUOMFLDXSQYAGZ-SIKLNZKXSA-N 432.496 0.694 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836512957 WOOCTNVVSJVUPD-LJQANCHMSA-N 448.564 0.869 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C1(O)CCC1 1837486643 LJUQAOCRTJIBIZ-CVDCTZTESA-N 448.560 0.693 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907173 CVRATWJTFQCHBR-AOMKIAJQSA-N 443.504 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1839173246 GJPQSTZRVPHFBG-NRFANRHFSA-N 434.445 0.428 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839226894 XVIWGFBAVUPXJP-UTKZUKDTSA-N 435.525 0.826 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)CC1 1839229237 FQIFSPGNDUJEME-GCJKJVERSA-N 438.569 0.976 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361641 WECRQQGTYHESEE-REWPJTCUSA-N 426.517 0.917 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1839421487 ULIWDUDCHOGUIR-FQEVSTJZSA-N 429.408 0.510 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839532733 WOAHPILOWUSMEI-GCJKJVERSA-N 432.521 0.472 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157660 XBBLWGYRKXFVKQ-BXTJHSDWSA-N 445.582 0.922 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)ccc1F 1840538131 YAHKPXNMEVJEQM-VGOFRKELSA-N 431.464 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)C1 1840725542 YECVCFKEFOFZRJ-GAJHUEQPSA-N 443.500 0.753 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813120 FVDCZPXIIFHQID-QFIPXVFZSA-N 427.505 0.911 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)CCC1 1840816374 PIPRBHIWUYYHHA-WMZHIEFXSA-N 427.501 0.740 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)Cn3cc(C)c(O)nc3=O)C2)c1 1846969660 FONGNFMBLBPYPT-UHFFFAOYSA-N 437.456 0.655 30 20 ICED C#CCNC(=O)COC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 19183401 NWVAFDJDKWMHJJ-OAHLLOKOSA-N 444.513 0.837 30 20 ICED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 25788336 NMFDFJHLYFYLIH-KRWDZBQOSA-N 427.461 0.920 30 20 ICED CCc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)c(C#N)c1CC 111134623 OVZVGNULQKFVBE-UHFFFAOYSA-N 443.529 0.773 30 20 ICED CCN(CCC#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 410133944 FTNXFMBUJUYKSB-UHFFFAOYSA-N 429.568 0.193 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 427863548 JTLPOGJFZCVHAP-INIZCTEOSA-N 436.440 0.718 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@H]1CCOC1 441945516 HCDQPEKTEKEGAG-GOSISDBHSA-N 439.537 0.898 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 446711607 NGRBLUMVYWKKDP-UHFFFAOYSA-N 437.460 0.317 30 20 ICED COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464854221 GKXJBJKUDCQANC-MRXNPFEDSA-N 437.504 0.776 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 465221813 FVIVVASRYWWRRI-JLCFBVMHSA-N 448.487 0.823 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)c1cccc(Cl)c1 470448349 OZLMOEOWRSZRQP-HNNXBMFYSA-N 426.926 0.822 30 20 ICED Cc1nn(C)c(N2CCN([C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 472150346 DFOYOGJAGVGDFA-CQSZACIVSA-N 431.522 0.397 30 20 ICED CCCCN(C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCS(=O)(=O)C1 472163301 SXKNZCFWDYSMQQ-KRWDZBQOSA-N 436.582 0.538 30 20 ICED COc1ccccc1[C@H](CNC(=O)c1cnn(C)c1C#N)NC(=O)c1cnn(C)c1C#N 475910652 QXBQERDUVQLLAE-INIZCTEOSA-N 432.444 0.807 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488250993 OVOLYCSIZBBKTH-HXUWFJFHSA-N 440.548 0.855 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 491077119 MNUMVCSMFIHUEP-UHFFFAOYSA-N 449.939 0.562 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 499752309 ZEDDRJUVRSWSKJ-UHFFFAOYSA-N 448.467 0.988 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C(N)=O)cc3)CC2)cc1 503779949 MURMITSEHKTGFR-UHFFFAOYSA-N 427.486 0.873 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505683221 IUZDZSDGHGNIMZ-UHFFFAOYSA-N 431.587 0.830 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(C)cc1 525266209 UYCCCYGJEFKXDS-UHFFFAOYSA-N 434.477 0.938 30 20 ICED Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1C#N 526101649 JHGGPYGIZSIHLJ-UHFFFAOYSA-N 447.439 0.783 30 20 ICED C=CCN(C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1)[C@H]1CCS(=O)(=O)C1 540551773 SIYZBJXZWKWYMC-HNNXBMFYSA-N 431.536 0.818 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCC#N)cc2)C1 541385968 KSVNNHCBIMCXRJ-AWEZNQCLSA-N 436.490 0.619 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1=O 542755469 BDYWCGAGWMFALY-CQSZACIVSA-N 431.536 0.864 30 20 ICED CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1Cl 558090323 FFDIWCOXLOYWHB-UHFFFAOYSA-N 447.304 0.902 30 20 ICED C[C@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(S(N)(=O)=O)c1 559444358 LPXDKMABIYNARV-HNNXBMFYSA-N 441.513 0.990 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)n1 559581272 QUQFQXASFIPSOB-UHFFFAOYSA-N 436.472 0.616 30 20 ICED CNC(=O)[C@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 572035120 UFUXRBRWZAFAFE-KRWDZBQOSA-N 438.575 0.943 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 574609656 FKWZBDAKSBNECQ-KRWDZBQOSA-N 442.497 0.633 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 580013594 XHYPUUNAKANGMW-SFHVURJKSA-N 439.472 0.836 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1S(N)(=O)=O 580015195 XAIWXTPCOPWAFV-UHFFFAOYSA-N 448.530 0.566 30 20 ICED CO[C@H](CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 588870290 GLZCLWNDZRQXJC-HUUCEWRRSA-N 426.395 0.859 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1CC=C 603793560 YSFTXTXEGAIXJO-UHFFFAOYSA-N 441.509 0.927 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 604269843 FQJKUAYCMDYJSF-UHFFFAOYSA-N 434.468 0.304 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(OC)nc1 608884022 PSNHOZWDEXILNN-UHFFFAOYSA-N 442.522 0.630 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608911421 DBNZWSCIZPSVJW-UHFFFAOYSA-N 436.493 0.684 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 609756705 QXURULINMGWBMX-UHFFFAOYSA-N 436.476 0.844 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)NCCNS(=O)(=O)c3cccnc3)CC2)nc1 610947382 OZKHFFMLIFTRHQ-UHFFFAOYSA-N 429.506 0.595 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)cc1 726182472 UZHLTDUPURHUNU-UHFFFAOYSA-N 436.518 0.978 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 733148899 NKJGIEDBFUWPHH-KRWDZBQOSA-N 442.516 0.340 30 20 ICED CN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 739127925 VJPZFXVOLLEVRA-RNWAHURQSA-N 449.533 0.565 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 741444046 SSLMKCJNPNOPIQ-WMZOPIPTSA-N 447.513 0.270 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 748950851 LEGNBDXMJSDDHG-UHFFFAOYSA-N 428.489 0.918 30 20 ICED COCCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O 751554152 KOKHNTFTGWTFJX-UHFFFAOYSA-N 443.525 0.363 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)n1 754936409 IQUHPFOTMPCIGY-UHFFFAOYSA-N 430.490 0.087 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 756325971 SDHMZIUOOULUQS-MCIONIFRSA-N 425.507 0.838 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 758431837 LEJJXECHZJJMDW-LSDHHAIUSA-N 429.543 0.716 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)ncc1F 762434878 XDBASYPROHOJHS-UHFFFAOYSA-N 434.247 0.083 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc(Br)cc3c2OCC3)c(=O)n1CC(N)=O 764998904 VTACCHITICZYMQ-UHFFFAOYSA-N 431.271 0.119 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 766987496 ABMWUXTYLSSPNI-UHFFFAOYSA-N 446.397 0.706 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 767630440 ZXYMEBKEMVCVPA-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772332615 ULJVONGDPHABES-OAHLLOKOSA-N 425.510 0.514 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 774239013 FZNPISOXICIVDM-QWHCGFSZSA-N 427.479 0.078 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CC[C@H](C(=O)N(C)C)O2)cn1 774584029 WPHMRKJLENCVJW-RBSFLKMASA-N 436.538 0.606 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CN(c2ncccn2)CCO1 774630146 RKNJBACMJSPSOR-ZBFHGGJFSA-N 431.474 0.464 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 783458260 BEBWXFOJGFFOTI-UHFFFAOYSA-N 447.495 0.749 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CON=C(N)c1ccco1 789626697 HGLWKGXZNKPFMN-UHFFFAOYSA-N 438.462 0.585 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)c1 807001776 JCZZXBMQKLMFAM-UHFFFAOYSA-N 446.460 0.751 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807936531 OJCRFBJEAJREPH-DAMAAOBLSA-N 438.575 0.885 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@H]1CCCO1 809304236 GMKSFWPRIGIYDE-AYOQOUSVSA-N 430.480 0.594 30 20 ICED COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 812170522 ACMLGSFYOIGEBD-OAHLLOKOSA-N 448.491 0.949 30 20 ICED C[C@@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 844266533 UBZVJSHZFRSRFO-GOSISDBHSA-N 427.548 0.979 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 856711609 ZVRXVFKEDOOTCY-LJQANCHMSA-N 433.490 0.378 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3ccccc3F)CC2)c1=O 913145238 PWMZJIAIMPKEHN-UHFFFAOYSA-N 443.479 0.488 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 917036671 ZEMFPGCXTMHYIL-GOSISDBHSA-N 430.486 0.778 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 917254535 XFYRWLWVNBJTHP-UHFFFAOYSA-N 431.470 0.401 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1288869593 IQARKWUSSWTXBF-ULQDDVLXSA-N 439.586 0.882 30 20 ICED CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1=O 1295939230 TZEKWNKULIQDAM-GOSISDBHSA-N 438.536 0.823 30 20 ICED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1303737415 PTYBCOLWWDRXOM-KRWDZBQOSA-N 437.552 0.944 30 20 ICED N#CCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1318888076 QPNASCDMAZCORW-UHFFFAOYSA-N 434.562 0.992 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1360570798 PFXYECKKDJGWSC-JTDSTZFVSA-N 439.586 0.691 30 20 ICED CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497293048 JKTVOLHGCMRTBN-RDJZCZTQSA-N 441.540 0.894 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1516965922 OCMZBBFWOUGFQJ-INIZCTEOSA-N 438.492 0.421 30 20 ICED COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1523706892 VLTZUYPOFWSKNP-UHFFFAOYSA-N 428.426 0.497 30 20 ICED CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552398665 DEUIWYIJZQPBFZ-SJORKVTESA-N 437.570 0.636 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c1 1558992347 WLOIHPNMLXYAMC-QGZVFWFLSA-N 438.575 0.503 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)cc1Br 1663900851 VSBFLXPOQNTTOU-UHFFFAOYSA-N 441.300 0.678 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690229465 WYYTYZMSLGRMNW-CHWSQXEVSA-N 444.355 0.900 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1696032087 WZTBLISOQRJHHM-KXBFYZLASA-N 441.554 0.466 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1741125081 JUUVSGUYBYHBJR-HUUCEWRRSA-N 427.575 0.331 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1769240956 YHZDLVWLUHKMTK-IBGZPJMESA-N 441.536 0.688 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1779105416 UOFLEBVVXSJCIC-QDHSESLQSA-N 439.900 0.895 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780061334 PLRHKWMZQHJVQK-NRFANRHFSA-N 433.428 0.047 30 20 ICED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc(C(F)(F)F)c1 1782036373 QZGAOHQZSKCWRT-GOSISDBHSA-N 439.394 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1783530939 XABJDGIGPJNKBW-JDHQYPSRSA-N 438.488 0.181 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1783888035 FAZNKBDDJKDQPX-NYHFZMIOSA-N 445.541 0.750 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21 1784485990 SXWVFDQUDMJIFE-OHFALNGGSA-N 437.443 0.875 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784510219 KELSYKFUBRGKKY-AJNGGQMLSA-N 441.575 0.418 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384769 DSQLMXKLWJTRSB-OTRWWLKZSA-N 427.461 0.067 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788571380 IQSMYOBPCCXGSP-QSPRXWTASA-N 435.481 0.344 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631305 JDZLFBSPOZCCJE-FHWLQOOXSA-N 433.549 0.437 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]32)cn2[nH]cnc(=O)c12 1789173061 WEVQPVXLWKBUCC-MBGYTDRXSA-N 447.561 0.879 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3OCCc4ccccc43)C[C@@H]21 1791072320 BXPWYLRRRDSTBS-LEAZDLGRSA-N 426.469 0.758 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146499 ZMCYMQWPIJMRPR-BJLQDIEVSA-N 442.516 0.689 30 20 ICED CC(C)(C)OC(=O)NCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792256146 WKUQLRRIOWRKSJ-JYJNAYRXSA-N 437.493 0.359 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnn4c2OCCC4)C3)cc1 1792560494 MNYNOAUGRUIXTJ-RMFSNUHRSA-N 435.484 0.983 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835242 NCVVAPLHCZQRBB-HIRMHNASSA-N 432.908 0.728 30 20 ICED 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)CC1)C2 1793086111 UJOSOEKOIFYEPC-QKPAOTATSA-N 436.509 0.155 30 20 ICED 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]1CCCN1C 1793642589 OWMGNBVKNIJAFT-PJVZLEMVSA-N 448.564 0.587 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793840392 KJBAIBXTQZVMJK-JSJNYSNDSA-N 442.516 0.698 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(N4C(=O)C=CC4=O)cc2)C3)CC1 1795413567 HWCJEDCGMBHYOB-CWPLJXCYSA-N 434.452 0.623 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1796445673 BQCKORJGCNFXQE-BPNQKZMOSA-N 431.470 0.871 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797967020 VDZAACZRLXVYEQ-IIZPIQPGSA-N 442.516 0.232 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799935957 ITMWZOYULCWZHN-JLVBRIDZSA-N 432.477 0.378 30 20 ICED 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)CCC#N)C4)[C@@H]2C1 1800718048 MBPVKYYSDLVDPL-WLFJLSJOSA-N 432.521 0.993 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(C(F)(F)F)n1 1800775687 BNHAKPBLYNSWPH-CULMDFNYSA-N 436.346 0.263 30 20 ICED C[C@@H](S)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 1800990522 QMTKSRUTUZKYPC-UXXRCYHCSA-N 445.582 0.559 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1801765287 PDXZZASYLDZFQM-RQMTUJCISA-N 442.516 0.167 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)cc1C#N 1801849009 VDRAJCSLUUJTEV-HGKCTWBKSA-N 428.493 0.032 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1801989770 UYXDHWFTRJHKQP-VPTLXERWSA-N 438.440 0.239 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cnnn2)[C@H]1c1cccnc1 1802500266 YKVVCYSWCNHGJX-VIUWEYCZSA-N 438.492 0.194 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804187691 OPEVRVZFLOJQFF-HNAYVOBHSA-N 435.444 0.153 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](C)S)[C@H]2c2cccnc2)CC1 1809678034 KNVWXNPLCGORPT-QSFXBCCZSA-N 433.578 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1 1814436632 YMCZDOZZJXJTFT-QWGSZXSUSA-N 428.493 0.883 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)cc1 1822604976 KSVBGWPURFVUEK-VYDXJSESSA-N 425.514 0.892 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673938 VIIZAEFNBUNSNC-MNOVXSKESA-N 439.494 0.399 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830576090 UATATIPLPZBDGJ-RKOYOZNISA-N 432.904 0.919 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1830720036 RGFMTARKIQGFBV-DRSNIGMVSA-N 433.505 0.726 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1831213808 YMJKPVHSXWALBQ-QHCPKHFHSA-N 438.484 0.539 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)no1 1831216179 ZCOUGGDIXLGIBE-NRFANRHFSA-N 430.461 0.181 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1831388518 ZEBARVHCLMIKKC-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832672127 QGKXTHSHMMFUSW-QFIPXVFZSA-N 433.505 0.900 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497576 NRLAJFUPHPMQJA-XOBRGWDASA-N 449.464 0.046 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833643653 ULAYGOHRLSAPEC-VGSWGCGISA-N 432.521 0.809 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621330 VUVFCMAIUXADEG-SFHVURJKSA-N 437.585 0.691 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc4ccccc34)CCO2)C1 1835977788 NOBUOQLKWIQZSK-GAJHUEQPSA-N 441.484 0.865 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1837399433 TUKSVNLJXXTHFD-NJNPRVFISA-N 440.537 0.604 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837429407 WXFQRTWYDKGDOT-XMSQKQJNSA-N 449.624 0.773 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465498 BHHDMLJVDOQPSM-OAQYLSRUSA-N 440.610 0.919 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837567714 UIKXBGYQTHHHAX-YYLQOBMESA-N 443.504 0.921 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839036427 BZFLLJNGYOAJBJ-KSFYIVLOSA-N 446.479 0.704 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839224904 RPLDXIHIFJTTMX-HRAATJIYSA-N 444.492 0.600 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649486 TXEDJWKAXLITIL-HRAATJIYSA-N 434.493 0.162 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1839809243 IWOGSAPWJXEFBB-QFIPXVFZSA-N 427.457 0.737 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1839867221 UZLFJUVMDWYZOO-VGSWGCGISA-N 445.903 0.284 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)C1 1840039778 HNUDNKTVVIYPIC-ZMPRRUGASA-N 448.422 0.613 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840193860 KPENOJCKPNCAKR-OAQYLSRUSA-N 447.513 0.755 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846256090 PAWHRALAHYLMKO-SFHVURJKSA-N 428.526 0.477 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)cc1 105457556 OXFBHWWPMNICMA-GFCCVEGCSA-N 435.458 0.273 30 20 ICED C[C@H](C(=O)NCC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 409921444 GKWIDPJYPVZVSM-BFYDXBDKSA-N 446.475 0.799 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2=O)cc1 434423991 XSPWUENMZYTBGX-MOPGFXCFSA-N 445.545 0.869 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)C1=O 440261931 ZWEZRGVXUVPCAJ-PBHICJAKSA-N 436.534 0.947 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 442318485 BZXPKGGTGLYIRT-NXNVCVFFSA-N 429.429 0.847 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1S(=O)(=O)NCC#N 446518604 BVHFUXHMGNNEIU-LBTBCDHLSA-N 442.497 0.334 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CN1CCOCC1 465418376 UAILRSWFYWCRPA-QGZVFWFLSA-N 449.515 0.856 30 20 ICED N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480940827 VXOZXNOEAVQGQH-UHFFFAOYSA-N 444.432 0.948 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480952665 NYLCACDGOOSGOD-UHFFFAOYSA-N 440.456 0.447 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccon1 480958764 WTWFTDQCWLEHIC-OAHLLOKOSA-N 438.509 0.909 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 481785441 JMGDBERKXTXDTA-IRXDYDNUSA-N 430.461 0.397 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)N3Cc4ccccc4C3)n2)cc1 484943196 FSMKTMXZWXFVQY-UHFFFAOYSA-N 429.440 0.795 30 20 ICED COC(=O)C1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487711750 OSHJOSJNUUUZOU-HNNXBMFYSA-N 436.534 0.616 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 488630121 VDUMMAGMPSIMLN-KRWDZBQOSA-N 434.518 0.346 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1C 505098056 ILMOEYWHOCEYOL-UHFFFAOYSA-N 428.333 0.536 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2cccnc2)c1=O 505636452 LTINXOZVSCXJTR-UHFFFAOYSA-N 448.552 0.715 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 506320917 NBOAXAQUXYWHKN-QZTJIDSGSA-N 442.524 0.536 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)NCC)CC1 508734225 PWQMUZXYPRNVGK-UHFFFAOYSA-N 446.581 0.682 30 20 ICED C=CCN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 512083639 KTNKGXBNNGMGQS-CQSZACIVSA-N 448.588 0.648 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCOC1 512724272 BBXPZSNAJXTNKH-OAHLLOKOSA-N 429.546 0.582 30 20 ICED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)O1 513564982 CJFXBMSIBMMVCT-BLLLJJGKSA-N 428.424 0.574 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)c1 519015867 VNWOHELEGRAJNH-RTBURBONSA-N 426.521 0.361 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523863866 FETNUJMNMUVGSE-UHFFFAOYSA-N 449.536 0.598 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C)CC1 550779835 ZIBHXXCONUTZKU-VXKWHMMOSA-N 440.592 0.611 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 561147605 FURYIZRUBNXENS-QZTJIDSGSA-N 429.496 0.573 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 578286379 UPJGPHURRFOWDU-UHFFFAOYSA-N 443.489 0.150 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 579533745 LATCAPUUOCPXLW-UHFFFAOYSA-N 428.470 0.527 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 581273709 VKOGVQLCZBATIL-UHFFFAOYSA-N 430.571 0.349 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 584441312 HSBFFPVYHXIAKI-UHFFFAOYSA-N 442.501 0.979 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592994031 VYNBUQHZJXVAGE-UHFFFAOYSA-N 438.488 0.728 30 20 ICED CCN(C(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 610662303 GWLMOJNMESIRSX-GOEBONIOSA-N 435.550 0.970 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1C#N 615316023 ZHQFNVVUQDCCDE-LJQANCHMSA-N 429.521 0.807 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCS(C)(=O)=O 729674796 MUGDAWYUVXFKSA-UHFFFAOYSA-N 449.510 0.591 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)cc1 731348039 UBBNAHLNPBSXOQ-UHFFFAOYSA-N 427.548 0.484 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCN2CCOCC2)CC(=O)OC)ccc1F 731881610 KFRPJIXJVNTGML-UHFFFAOYSA-N 443.497 0.237 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C(C)C)c3)c2=O)cn1 732796430 FIQQYCWKQIGNFU-UHFFFAOYSA-N 439.545 0.920 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 746379444 NNJAWVIUCKDVKC-UHFFFAOYSA-N 430.490 0.562 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 747993920 VHDMINOITLQVAD-UHFFFAOYSA-N 427.429 0.609 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 750299617 BBXKYWZGOCXQTK-QOBDKFOYSA-N 443.551 0.655 30 20 ICED COc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1S(N)(=O)=O 756890925 LKUGJSQHCTWLGX-UWVGGRQHSA-N 430.508 0.893 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758646331 WJAKUQSBAVOGGN-KBPBESRZSA-N 431.515 0.354 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 759064151 DEFOBWZYJAWOLS-OCDBCJEZSA-N 444.517 0.835 30 20 ICED C[C@@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1=O 761467581 PXGFIMIMRPSPFG-CVEARBPZSA-N 447.513 0.940 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)n1 774841554 ICGFPFHWKNEPKA-UHFFFAOYSA-N 445.564 0.643 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCCN2CCOCC2)C1 778334412 KWUKSMRFXKTFRA-INIZCTEOSA-N 436.534 0.065 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 783857263 YGBHUZRKQVCAJR-LBPRGKRZSA-N 443.526 0.576 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(C(=O)OC)n2)c1 787616417 WUAGPUIFMHCEDB-UHFFFAOYSA-N 431.426 0.575 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)n1 789565136 KUUQTIMVAZYBSM-UHFFFAOYSA-N 439.472 0.764 30 20 ICED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789810048 IYRLZMCPOXUZPT-CBJFBRNBSA-N 438.506 0.094 30 20 ICED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCn2cc(C(=O)OC)nn2)c1 790021080 IWVVINJBFCSQCS-INIZCTEOSA-N 440.485 0.814 30 20 ICED C#CCn1ccc(CN(CC)C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)n1 790114986 GWUIEESMZUZOPK-UHFFFAOYSA-N 430.486 0.970 30 20 ICED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 793935944 GSVKEOHHTWFNBL-ZDUSSCGKSA-N 430.490 0.267 30 20 ICED COC(=O)c1cn(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 803643847 BNWTVHDTGWYUGU-AWEZNQCLSA-N 448.505 0.334 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCCN2CCOCC2)c1 805974475 SJJXHSHMZUCKDE-HNNXBMFYSA-N 425.507 0.145 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 810472308 ISQDLABQJQVBHA-HNNXBMFYSA-N 425.832 0.715 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 814180873 RJWRXTIIQMANLM-CRAIPNDOSA-N 446.529 0.377 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917037103 VGFHVWSROWTGQM-MRXNPFEDSA-N 427.438 0.865 30 20 ICED C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1)n1cncn1 918265553 STKRYSGCYYIVSN-CQSZACIVSA-N 447.459 0.911 30 20 ICED CNC(=O)Cn1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 918353521 QNKOJKBCQXVCMK-UHFFFAOYSA-N 432.506 0.867 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1140627064 OLFGESGEUDHQNZ-UHFFFAOYSA-N 437.474 0.432 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)NC(C)C 1297272089 LXQRPWNAPVTRHJ-UHFFFAOYSA-N 443.556 0.970 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)n1 1298843051 SXKSYEWBLNESTG-MRXNPFEDSA-N 448.553 0.523 30 20 ICED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1302468429 CQFQYCPFZRPSHK-KRWDZBQOSA-N 446.533 0.294 30 20 ICED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1315653766 MOEDHLYKYIMTBW-ZDUSSCGKSA-N 436.419 0.976 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC(N)=O)CC1 1318793881 SOTOBAWBWKHENF-INIZCTEOSA-N 436.534 0.777 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CC(N)=O 1325011647 MFRAHWRAMREKPK-CQSZACIVSA-N 449.536 0.914 30 20 ICED C#CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1325086823 YFNYXHWXFCMPPJ-DOMZBBRYSA-N 445.335 0.483 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1618690308 OGEYNOSPEHFJRI-FNXXIHLHSA-N 426.477 0.308 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1762302583 LMZAMSRBWFSSHX-INIZCTEOSA-N 433.513 0.174 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1770345161 BMGOYRYCAPWLTQ-UHFFFAOYSA-N 426.506 0.864 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1778080301 LNAWFSVJWUETKV-VWKPWSFCSA-N 436.509 0.348 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102362 HAEUJXIUPAQTEA-XJVJGPOFSA-N 434.497 0.273 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780635902 FKMBMKKOPQOIDJ-XFGYDDDFSA-N 436.597 0.727 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1781396392 XRMGPCCCAOFGHK-IERDGZPVSA-N 443.508 0.986 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783898466 SCYKEPJWMBHHQE-GKCIPKSASA-N 443.566 0.507 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787397377 WJCJGHGABBQOTI-WNHJNPCNSA-N 436.578 0.975 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111390 VSOFIFJQPDVVCW-BVBHFADKSA-N 441.594 0.850 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21 1788658627 RWUQGKKEHWIHPY-BPYJHVPBSA-N 433.461 0.762 30 20 ICED COc1ccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(F)c1 1791078165 VWBZJEFKPYNGCE-DAYRPHBASA-N 430.432 0.915 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]4C3)cnc2c1 1791261121 DEATXUYPTOIPBW-OHFALNGGSA-N 430.530 0.915 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Oc1ccccc1)C2 1792489792 SSSCHYIMDWTGPE-YGWRDHKESA-N 427.501 0.902 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1792635173 PYSHBUSUNHVWSD-YWVIFJGQSA-N 429.502 0.879 30 20 ICED CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1793201841 DWCKSDLTVZSUOC-UWPRVLOBSA-N 436.553 0.837 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1793349603 DOUAWKCUBVCWQJ-ROPHOZQPSA-N 427.501 0.353 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793775852 OATVTYDHTZWCFZ-HQMXNFIDSA-N 433.549 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccc1C 1794099565 BQYYAUPCRKEUAU-OUBXJXCTSA-N 426.517 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(NC(C)=O)c1 1796742871 NLNPGGODAUERKL-MOJKRCCLSA-N 441.488 0.102 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797712219 VQOKPTHWBGYLRV-YXPYIKCWSA-N 446.529 0.532 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1797742595 YDKDHDKIDXTENY-ZZFQSMGRSA-N 425.493 0.404 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798493141 WIZZOBIKQAVTNY-ODBSBRAKSA-N 444.554 0.481 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1799302989 XCAGLZUFTKGEPF-ZSBFGKGUSA-N 436.440 0.495 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1799396696 ASKSBTPLOFNVOV-PDOICOKGSA-N 446.552 0.723 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201508 UEVXZQXTZJWWES-GGXPGOJBSA-N 432.546 0.709 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1801001961 PLTCEFXXKQBBNM-WOSNLTMFSA-N 429.473 0.306 30 20 ICED C=CC[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 1801930464 JOADNSUWDUQWSF-QOIOWGMHSA-N 449.504 0.524 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1801991238 LBSQGNVGZPYUHR-ZSBFGKGUSA-N 427.486 0.879 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1803605298 XLLXXLOTWVSKFZ-JLSDUUJJSA-N 433.534 0.594 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804087178 FRCFTJKQPJIOCF-SIXWZSSISA-N 429.477 0.230 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@@H]1c1cccnc1 1808223456 OMGHWYGQTLWUGN-IUDFFTLZSA-N 442.520 0.393 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)[nH]n1 1814438197 QSYSHGYJFXKURD-JIPXFFRKSA-N 446.508 0.411 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814464500 JWWHFFQGHYHHMK-QWRGUYRKSA-N 425.536 0.687 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820976159 GHHMGZKBZOBNSA-WBVHZDCISA-N 438.529 0.489 30 20 ICED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976676 MAQSBISXKIVIJP-NVXWUHKLSA-N 431.624 0.655 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826935458 AKIWNNOLIISCJO-ZWKOTPCHSA-N 434.585 0.481 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1828029448 VNYQJDTYXZKPEB-CYBMUJFWSA-N 438.473 0.692 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829307813 GSTLYRUJZMMTLL-SBUREZEXSA-N 440.500 0.596 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OCC)c3O)C2)C1 1831399691 ZBSHJMDNNPDBNO-HXOBKFHXSA-N 446.500 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCCO3)CC2)CC1 1833108063 FMRVIUYNZTYETK-HCZHMGAMSA-N 432.565 0.986 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833191875 YUJJOCOZCJIEIL-SIKLNZKXSA-N 434.537 0.958 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712516 BSXQGXOAFTWWJF-UHFFFAOYSA-N 441.479 0.321 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2)CCO3)ccc1F 1834032016 PCKKESNFCIZTNW-JOCHJYFZSA-N 439.447 0.800 30 20 ICED CCOc1c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cnc2c1cnn2C 1834758925 ZDYBKWQQGRZVTI-NRFANRHFSA-N 442.476 0.351 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1835673887 ARDVASOHWJHTTD-JOCHJYFZSA-N 429.521 0.362 30 20 ICED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837078033 XCCHNAVJGZLGIS-UHFFFAOYSA-N 440.566 0.019 30 20 ICED Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837370579 KFGIPOGXGZSQSA-ANRKENSESA-N 448.524 0.956 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837401984 BLJIQHSPKLZZCX-BTCOZLQPSA-N 446.548 0.544 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccccc1 1837615973 RRUCHZIZWUWQIN-QPPBQGQZSA-N 441.528 0.776 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1838905492 IZZAUDQLHXHPED-NRFANRHFSA-N 428.445 0.080 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1838949747 RFSZICACOORDGH-OALUTQOASA-N 441.406 0.942 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839173282 HPAVDIXNVSADEY-NRFANRHFSA-N 434.493 0.308 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839174269 QHRJMNKVLSKRJN-OAQYLSRUSA-N 434.493 0.308 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839216071 ZQJURINPAAPTDC-CVDCTZTESA-N 440.500 0.443 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(Cl)c1 1839422742 KZGUXLTYTXBLQD-JXFKEZNVSA-N 448.863 0.390 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423414 ZVELJWYFAKILSF-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839654789 LLVMBJGYQJDJMA-OAQYLSRUSA-N 440.610 0.919 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840011332 YDESPFWFAMDLNI-QHCPKHFHSA-N 447.532 0.723 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1C 1840070677 DTXWKTOOBGBXQK-QFIPXVFZSA-N 430.457 0.091 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840159722 LOMCRWVCZUABTE-XCLFUZPHSA-N 434.518 0.355 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840428519 NQYHBGNPCMQZNK-HTAPYJJXSA-N 428.489 0.999 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)O1 1840819321 CPTWGHGJWJLGMD-HCLVMJGWSA-N 443.500 0.961 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)cc1C#N 1842882001 IZEHTHMDZMSOCK-KRWDZBQOSA-N 427.505 0.755 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(C#N)c1 1845138469 FIIQXLJIOGWQJK-UHFFFAOYSA-N 447.455 0.358 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)NCC(C)C)C2 1847070715 QBNWWEKGCZQVMR-INIZCTEOSA-N 434.537 0.879 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847109950 ASVRGEVEEWSWNR-HNNXBMFYSA-N 435.525 0.555 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](C)CS(C)(=O)=O)c(C#N)c1 1847822389 GVAMLSCARGZPJA-CCKFTAQKSA-N 433.530 0.992 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCS(=O)(=O)CC3)nnc12 409498481 HDLPNKMSEGJYLR-UHFFFAOYSA-N 447.542 0.969 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 442368443 WIPXSMAOVFZZEN-MAUKXSAKSA-N 448.545 0.949 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 444505519 HJDCVUZKOFGCDA-UHFFFAOYSA-N 427.440 0.657 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 446550788 GDFNALDWZGMQFC-INIZCTEOSA-N 438.506 0.595 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C)c(C#N)c3=O)CC2)cc1 467207830 QAFFILLGPPJYIJ-UHFFFAOYSA-N 430.486 0.570 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 472053020 HAHCHBRMBYKJNP-CWLKWCNXSA-N 437.504 0.239 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 475614260 XMUNVHBUTDAYLQ-KBPBESRZSA-N 440.460 0.976 30 20 ICED CN(CC(=O)Nc1cccc(N2C(=O)COCC2=O)c1)S(=O)(=O)c1ccc(C#N)cc1 477629223 BFWRYFLGEUHCMU-UHFFFAOYSA-N 442.453 0.707 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 487324518 TVOJJVIEHJXBMH-UHFFFAOYSA-N 432.506 0.660 30 20 ICED COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 491270920 LEVNWGCOOPTKMK-IRXDYDNUSA-N 428.445 0.544 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n(C)c1=O 508402522 NJWAEBNQMRKZMX-UHFFFAOYSA-N 437.460 0.207 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514752069 PEQAQPUVBFQDJY-APWZRJJASA-N 441.532 0.079 30 20 ICED CN(C)C(=O)Cn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]1 521945991 RGQXIIXBYDCTRD-UHFFFAOYSA-N 440.851 0.103 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCO3)c1=O 523080202 WWEPCMILOVCHBV-UHFFFAOYSA-N 443.525 0.950 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)C1=O 527087770 SQGWPNZDZPCNQN-UHFFFAOYSA-N 442.476 0.098 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532362521 BETMQJKDQKZDJR-UHFFFAOYSA-N 449.536 0.937 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 532363274 FETHNBDHMDYCEO-CQSZACIVSA-N 435.509 0.699 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 543218848 RUZZKMCKDXFLEV-UHFFFAOYSA-N 432.477 0.259 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CCC 544724918 FDOHLNYHZYHYDV-UHFFFAOYSA-N 427.482 0.862 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 548897470 WZSBJBIRASRAMV-UHFFFAOYSA-N 434.499 0.698 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 549555402 SZQKBCJWDFUWJG-UHFFFAOYSA-N 431.562 0.971 30 20 ICED N#Cc1ncn(CCNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)n1 553441894 PMASMGXODWXDRA-UHFFFAOYSA-N 426.481 0.310 30 20 ICED C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 555263701 HJNJHATVNXJDKE-QGZVFWFLSA-N 426.525 0.979 30 20 ICED CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1 568863167 UBMAXEPGDMUICM-VDGAXYAQSA-N 425.533 0.964 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 582988117 VPHPNWGIQGHBDJ-UHFFFAOYSA-N 439.515 0.737 30 20 ICED Cn1cc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1C(N)=O 603631584 FJBSYORDMNKSJA-UHFFFAOYSA-N 427.490 0.675 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 609522478 OYVNLXRJXLFECX-LJQANCHMSA-N 430.553 0.738 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609578649 XQUXETNVLKAKTH-UHFFFAOYSA-N 425.477 0.972 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 609941998 VUSCFIOCDIHPGI-UHFFFAOYSA-N 447.492 0.874 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc1[N+](=O)[O-] 610565414 VMSBMOIUTAVGOL-UHFFFAOYSA-N 449.449 0.747 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1 729256789 IDXWWLUBKHHSCN-UHFFFAOYSA-N 446.573 0.759 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 743916534 UXSNHBOVPWGJKQ-UHFFFAOYSA-N 429.404 0.965 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 749666916 NKUMRLUWWFQYQS-UHFFFAOYSA-N 437.500 0.282 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749857127 UOBDJCLXAZHVBM-HNNXBMFYSA-N 427.530 0.288 30 20 ICED CCC1(C)C/C(=C/c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C\c2cn(C)c(=O)n(C)c2=O)C1 751518677 YGDFCEWZSJUCQB-SFGFDRCGSA-N 440.500 0.728 30 20 ICED CN1CCN(c2ncc(C=NNc3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)CC1 755644221 BDQIBMXZDOXGIG-UHFFFAOYSA-N 430.538 0.854 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OCC)c2)c1=O 758078141 IINMUMYYWXEXJB-UHFFFAOYSA-N 439.537 0.988 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 758431835 LEJJXECHZJJMDW-GJZGRUSLSA-N 429.543 0.716 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 765643127 FHCKEKOVZVOYJN-GFCCVEGCSA-N 425.492 0.105 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(=O)N(C)C 766393377 RDHVTTHJOPOHOV-UHFFFAOYSA-N 444.944 0.765 30 20 ICED Cn1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnc1Cl 769387290 BRHMOZPZPFBCRH-UHFFFAOYSA-N 429.911 0.640 30 20 ICED C[C@@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 772984972 PVWXIFIXWQGKKH-FZFLATATSA-N 434.518 0.885 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCS(C)(=O)=O)c1=O 781665060 WJBDBFBIUADGTE-UHFFFAOYSA-N 448.570 0.433 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 784918450 RJMIIMVSAJAGEQ-UHFFFAOYSA-N 435.502 0.669 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1)c(=O)n2C 786538598 NXGWWBQRTPXZGC-CYBMUJFWSA-N 428.836 0.112 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 787313371 BBFHECWXDALSDT-MRXNPFEDSA-N 444.536 0.641 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)c1 791980963 WGSRNPKTICFTSM-HOTGVXAUSA-N 445.501 0.631 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)CC1 792906138 LYNYQYCNLYWRBM-SFHVURJKSA-N 430.553 0.791 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806611409 TYEVXQKYRWYVMI-UHFFFAOYSA-N 425.510 0.898 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807097792 RJFYDDKWRBXHAZ-INIZCTEOSA-N 430.571 0.924 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 807371945 VJSUVCMEFJPHDB-ALOPSCKCSA-N 430.480 0.976 30 20 ICED CC1([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)OCCO1 808237487 TXVJYLORTOFGJI-RTBURBONSA-N 440.500 0.777 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cnn(C)c3I)CC2)c1C#N 816414899 HDQUAXCHLQNBSA-UHFFFAOYSA-N 439.261 0.901 30 20 ICED O=C1CN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2N1 821693404 QCSZHTLGKDMIOI-UHFFFAOYSA-N 428.426 0.254 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 916716573 YEFBIHVJTKJKMK-MNDPQUGUSA-N 443.551 0.609 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(C)nn(C)c2C)c1=O 917355161 VDDJPLNVFBFVTD-UHFFFAOYSA-N 431.562 0.716 30 20 ICED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918430240 LOYZAJCFGRPEED-JPDJOPTESA-N 436.490 0.459 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cnn(C)c1 919133198 ZRCCIBHRUCRNCW-CQSZACIVSA-N 449.489 0.586 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)N3CCCC3)CC2)cc1 919670011 KKPDXDIMRVZBPH-UHFFFAOYSA-N 426.520 0.416 30 20 ICED CSc1nc(O)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1C#N 1275713939 SPQNCKFLJJHUME-GFCCVEGCSA-N 427.504 0.962 30 20 ICED C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OCC 1321048386 HSTQSANFHQTMTC-GOSISDBHSA-N 437.518 0.777 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CCOC 1323197794 SIKZJMILPVDQAP-UHFFFAOYSA-N 438.431 0.775 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1516023674 LXFBOQYPQZFFNG-PXNSSMCTSA-N 446.533 0.486 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1541106547 YHZCGZRXSPHLOA-CHWSQXEVSA-N 434.588 0.697 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)CC 1616922914 RHXFVBQOGJJHOU-HNNXBMFYSA-N 427.513 0.670 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1619877863 RYKWLRZQJWBAMT-FQEVSTJZSA-N 425.537 0.916 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1643572793 JGBIFQUYCYPHGC-SFHVURJKSA-N 444.916 0.662 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1709143100 XEGPJIAJUAMVED-RBUKOAKNSA-N 428.585 0.960 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1710166520 LCMZXQPMZPGIGS-HXUWFJFHSA-N 432.550 0.754 30 20 ICED CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750116725 DBRGPBQDZAMNGF-HOTGVXAUSA-N 428.541 0.568 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778355554 ZMRPZRXDQOQFNH-OFNKIYASSA-N 432.565 0.749 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccn1 1778406440 LHZMDYDHVVLGEC-IIBYNOLFSA-N 428.445 0.256 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779104997 QBBBVFPDWUNYDF-DWBVNXOXSA-N 431.493 0.768 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175512 NXTPTBXCBFDLGO-OYHNWAKOSA-N 426.473 0.701 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)c1Cl 1780188355 TYZBPJOHKSZHPJ-VLIAUNLRSA-N 445.863 0.253 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2 1781801077 PGHNMFHHWGLMBI-FRQCXROJSA-N 431.480 0.863 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1782176443 NLRRYNNRKNLYBL-LYKCQVCGSA-N 445.582 0.704 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782667756 FMGXAZLNBCICCI-PRCFCKQXSA-N 444.532 0.603 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1782670593 KCKUFWOMEUZZHU-AOMKIAJQSA-N 425.489 0.724 30 20 ICED CN(C)[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1782835307 SLGWUHOBIOZBLC-TZIWHRDSSA-N 433.892 0.861 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)cc1 1783444061 PWDATHPSUNZYSH-ACRUOGEOSA-N 449.511 0.727 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783898757 BGUONQGKXRTWNE-KPOBHBOGSA-N 443.566 0.818 30 20 ICED C#CCO[C@H](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 1784483366 SYQUHXCDKMTDPV-ZBRFXRBCSA-N 437.537 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1785095739 IHAHUZKQFKSVDD-UFTUAFODSA-N 440.500 0.947 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1785572668 RIAKHMCLWREZCZ-KSFYIVLOSA-N 435.521 0.769 30 20 ICED CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)c1 1785589096 UCASTLGTIDCLRO-WBAXXEDZSA-N 446.529 0.772 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676854 PEKLBFOBLKJSRK-XGMBKXDVSA-N 439.534 0.359 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788677927 LOXIEQUHSDTCKM-TWTJJEHKSA-N 428.445 0.798 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)NCC)C[C@@H]21 1789891326 NMIFUWXXJBREOQ-QZWWFDLISA-N 438.525 0.183 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1792633475 XZVMIXXXAQBAAQ-MIFYACCESA-N 440.460 0.431 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793353068 FIHOOZQBGSMHLP-MVJTYMMSSA-N 441.525 0.402 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncnn1C 1794916179 GQZIBJZIHUPONK-QKPAOTATSA-N 430.509 0.984 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CCC(N)=O)c(O)n1 1795976083 MXEAJHBJRLFXOZ-DFGXFYAUSA-N 429.521 0.750 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796282943 AXEFRBHNDAMCSJ-LTCOOKNTSA-N 431.489 0.629 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 1797225932 RJXZJXJJQIODFK-HNJRGHQBSA-N 426.517 0.862 30 20 ICED CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739017 QATHUUNCZFKRQC-QQAVIKJWSA-N 428.537 0.823 30 20 ICED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C(=O)OC(C)(C)C 1798693873 ACQKSZNNXNYSCH-JLVBRIDZSA-N 431.493 0.956 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC 1800955249 MJGSTAOPKVJTKH-UWVPOSKDSA-N 434.533 0.905 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c1 1801763060 VMMCMPRZZRXKHJ-IBHRTIHJSA-N 426.517 0.849 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806617326 IGQYNDXHGNXESW-REWPJTCUSA-N 430.512 0.979 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1812587855 SHFXWEFVIGIMAX-YEWWUXTCSA-N 436.476 0.739 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812882888 SKQVLPJFZAAWAJ-IIMDRIAPSA-N 439.468 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)[nH]n1 1814439224 CSIKPXNPFYNGPA-HCDJPTGHSA-N 428.493 0.786 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470805 RKLUTQDPSUFYFZ-GDBMZVCRSA-N 427.461 0.755 30 20 ICED CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)C(=O)O 1817315257 KADBCAPHMWTAFJ-HUUCEWRRSA-N 433.513 0.746 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821468630 FAPRZZCOQQRXQL-HCWUMSGPSA-N 446.489 0.981 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1822928014 DLJHFYNKTZTQJH-CYBMUJFWSA-N 445.501 0.821 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2)C(=O)C(=O)O 1824674307 PQNRJTWCNOCYHN-VNQCRBAESA-N 447.473 0.310 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](C)S)sc3C2)CC1 1826019593 LIMWEEROVRMBII-YPMHNXCESA-N 425.580 0.538 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1829267232 LVYDJCPFNJCEFK-MBSDFSHPSA-N 438.484 0.208 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)c1 1829776528 TZUSRUFBLNHKEA-QGZVFWFLSA-N 449.475 0.559 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C#Cc1ccc(Cl)cc1)CCO2 1830470145 QLHNSQUJPWVWBI-OAQYLSRUSA-N 430.844 0.236 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831425982 YPXSIOQIZBWMPA-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1831433624 KNTKGKVSTVTDDY-GUXCAODWSA-N 428.482 0.596 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832150157 FCRFMPTYIAEJKX-RCBQFDQVSA-N 428.473 0.711 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832731669 HUWHUEFFMGOXDP-JOCHJYFZSA-N 428.489 0.071 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833476958 PJFMABXHBFHFOV-KRWDZBQOSA-N 431.537 0.406 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)cc1 1833511381 NGYJLXFJTALYGO-FQEVSTJZSA-N 439.516 0.781 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc1 1833650523 OWZNBMUHSBMSFF-QFIPXVFZSA-N 427.505 0.911 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)on1 1834222552 IVHHZGCAKGUFNT-XLKFECATSA-N 436.465 0.582 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835043972 LZRVWBDSBUYCJZ-CYBMUJFWSA-N 432.550 0.938 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1835096441 GDZVTZQNINYLCP-HSZRJFAPSA-N 443.569 0.543 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1835099082 YSLBNRGDHLMFTJ-DEOSSOPVSA-N 441.528 0.217 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835349704 RRCBKRGWUXLQRB-QHCPKHFHSA-N 440.500 0.485 30 20 ICED Cn1c(=O)n(CC(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)c2ccccc21 1835455947 RQMYJEMIIVBKNG-UHFFFAOYSA-N 438.532 0.825 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1836071320 IGRFLXZNXYRKOF-WHEDMDOKSA-N 431.449 0.089 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2)C(F)(F)F 1836971735 DZPKYQPGHPMWOC-GOSISDBHSA-N 444.410 0.854 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1837393681 YWMYONNLWFRTEL-HTAPYJJXSA-N 439.553 0.178 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837443514 DRWFTLRJONGVOB-ZZAWEDPDSA-N 444.536 0.371 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837487503 YERLHUAMKFKRBJ-DNVCBOLYSA-N 439.463 0.945 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1839224871 QSAGOBHOCSKVNM-UWJYYQICSA-N 433.509 0.667 30 20 ICED Cc1cc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2[nH]1 1840044299 CEWVZNCZZKWMLZ-JOCHJYFZSA-N 425.441 0.634 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840161946 GSINJVMSAXDDHK-VLIAUNLRSA-N 431.518 0.860 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840842514 KUPYHAUCWVWWBU-QFIPXVFZSA-N 425.441 0.305 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939448 DFULHHDCKLMIFP-MWLMUJSGSA-N 435.569 0.400 30 20 ICED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1842837386 QFZIYEGMQWFAGI-UHFFFAOYSA-N 447.536 0.819 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1842919366 ZTJXTQKRDMKTNA-AWEZNQCLSA-N 442.520 0.478 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843325961 FTLLMYBEPXUWRH-CABCVRRESA-N 426.514 0.876 30 20 ICED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301749 QLWOADINCGTELA-UONOGXRCSA-N 442.582 0.926 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 24401742 SFTNDDGSVHDOPU-UHFFFAOYSA-N 440.547 0.063 30 20 ICED CNC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 25535186 OBKMKPHBBCJRQW-GOSISDBHSA-N 428.470 0.719 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 32439551 XPAWUSFGAHADPV-UHFFFAOYSA-N 435.531 0.384 30 20 ICED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 438874402 FQZRNMSGSYFOFL-INIZCTEOSA-N 435.488 0.725 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCOC1 441945017 HEGRLUCENPWUSL-ZDUSSCGKSA-N 449.554 0.282 30 20 ICED CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1(C)C 447289867 GMVKQYZGUFCIGT-KKSFZXQISA-N 429.452 1.504 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 460391023 UIXQMKUZPHAHOS-OWCLPIDISA-N 442.586 0.832 30 20 ICED C=CCNS(=O)(=O)c1cccc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)c1 460743518 VTLLPCKKUIWWBG-UHFFFAOYSA-N 429.524 0.482 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1NC(C)=O 465412730 CBGPEBOVFLQRMQ-CYBMUJFWSA-N 437.460 0.991 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(C#N)c2)C1=O 469947841 NYNMMIROOVYIFD-UHFFFAOYSA-N 427.442 0.852 30 20 ICED COC[C@](C)(C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 474144616 KMNSXGQKUJARMX-FQEVSTJZSA-N 449.533 0.572 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)c1 478843114 GXILHQUQEXHUNT-MRXNPFEDSA-N 428.510 0.971 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 480356154 TZYSLBBTIFNIGZ-MRXNPFEDSA-N 434.499 0.436 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 481804224 XYHJAQLFIUJPND-HNNXBMFYSA-N 435.550 0.284 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1=O 485627289 MITIYBITDHHOMI-CQSZACIVSA-N 448.501 0.723 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 494012192 XSUASWCUXZLFSK-IBGZPJMESA-N 428.489 0.491 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(N)=O 506196590 ZZXUGRDBHLMSEN-UHFFFAOYSA-N 448.526 0.661 30 20 ICED Cn1cnc2c1c(=O)n(CCCN1C[C@H](C#N)[C@]3(C1)C(=O)Nc1ccccc13)c(=O)n2C 513979360 BNAHJVOQLOAZQG-FPTDNZKUSA-N 433.472 0.169 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 517264889 BEQCKQFQOHDEKU-CQSZACIVSA-N 433.442 0.121 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 519844214 FAPXMZCDIWZUAZ-UHFFFAOYSA-N 439.519 0.338 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1-n1nnnc1C 524201942 WPIBFSPVXVCBOH-UHFFFAOYSA-N 447.459 0.533 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc2cccnc12 541288528 HVDILOJTWXOSNZ-UHFFFAOYSA-N 449.536 0.527 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 548618250 ZMEHRBXUXYEQSA-NSHDSACASA-N 435.864 0.296 30 20 ICED CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCSC1 550838380 GJBXZGHTXGALDV-UTKZUKDTSA-N 429.546 0.723 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 553760822 LXNFSCSFZDUXSQ-KGLIPLIRSA-N 428.536 0.107 30 20 ICED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)CC3CCS(=O)(=O)CC3)C2=O)cc1 553853615 WCIVFAHXPAVXBS-KRWDZBQOSA-N 425.532 0.798 30 20 ICED N#Cc1ncn(CCNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 554355491 HGMIOTKPTBGAIJ-UHFFFAOYSA-N 439.885 0.646 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561642072 IJZXFFFCXMVUFH-IEBWSBKVSA-N 434.468 0.283 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 567150609 JMWMWZBBBILWNR-UHFFFAOYSA-N 441.560 0.742 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 573357520 BYQGKZVKUHXDLQ-OAHLLOKOSA-N 439.476 0.185 30 20 ICED CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 576187552 WOIRVMBAVJAIRS-LJQANCHMSA-N 439.516 0.492 30 20 ICED Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C 580868528 TVCRFZKSMJHMOC-UHFFFAOYSA-N 432.506 0.914 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581780643 NWAKPMJFHPCQQJ-HKUYNNGSSA-N 449.515 0.689 30 20 ICED N#Cc1ccc(S(=O)(=O)CCn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)nc1 588829292 MRKGXLYMCNWDSB-GOSISDBHSA-N 439.501 0.987 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2=O)cc1 588868289 BMSAVQWJNJUNBH-VQTJNVASSA-N 439.516 0.099 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186561 KHXIJFHJIKJLNO-KDOFPFPSSA-N 425.445 0.963 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 731888571 WRKXEWUJNAYEOC-ICFOKQHNSA-N 426.882 0.847 30 20 ICED CC(=O)NCCNC(=O)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 731895116 KPKPUZLHYFXUEB-QJOMJCCJSA-N 437.522 0.470 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910311 NFWWWNUHLHLWKM-ROUUACIJSA-N 431.514 0.434 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 742586889 YCYQXKGIWQXEEI-AWEZNQCLSA-N 444.513 0.945 30 20 ICED C=CCOCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 745529804 CIDHPBKUQRZVJF-UHFFFAOYSA-N 435.502 0.917 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cc1 746788555 FURFAAVOQWNGPX-IXSYQRGLSA-N 435.506 0.223 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 750415278 QXVSGUYISQVTTC-KRWDZBQOSA-N 429.433 0.764 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c1=O 753789128 GGLQUAMQVWECKN-UHFFFAOYSA-N 436.559 0.289 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755489469 PGPQYFVDPVCXQL-UOVPBQLFSA-N 427.482 0.135 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758066765 CGHWGXJXLNEQNS-INIZCTEOSA-N 440.550 0.976 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 762935331 FXKIRLLIALBIMC-GFCCVEGCSA-N 430.442 0.506 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680988 OQJFFWFGNHDVFW-CQSZACIVSA-N 438.506 0.141 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3c(F)cc(Br)cc32)c(=O)n(C)c1=O 771889631 BBARLFZXBOJDBJ-UHFFFAOYSA-N 445.270 0.614 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(=O)N(C)C 777946794 INCAZPNZXZOMPJ-UHFFFAOYSA-N 428.489 0.251 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1F 782751256 VFZALYZJBLRLEL-UHFFFAOYSA-N 436.490 0.023 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 783544762 CJXKUOIAQLLXPJ-UHFFFAOYSA-N 432.520 0.047 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)Cn2cnc(C#N)n2)C(F)(F)F)CC1 801558136 SSPOVZASGFCCJU-LBPRGKRZSA-N 431.419 0.750 30 20 ICED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 802143742 ZMBGKYFCXJVXKB-DNZUHHBVSA-N 435.506 0.569 30 20 ICED N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)OC[C@@H]3C2)cc1N1CCN2C(=O)OC[C@@H]2C1 804555628 MCSCMFCCYSBZMF-KBPBESRZSA-N 428.405 0.748 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 806088147 NBFWTPIJPDHGEL-PMACEKPBSA-N 431.537 0.251 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2C)CC1 809860097 HSKDXDPZQZZLRC-UHFFFAOYSA-N 444.561 0.910 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814250482 RCXWTPHRILUORA-UHFFFAOYSA-N 435.456 0.119 30 20 ICED COc1ccc([C@H](CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)N2CCCCC2)cc1 1307286022 QUDUBYZTTAYHMJ-IBGZPJMESA-N 425.489 0.771 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)ccc1C(F)(F)F 1309497156 NXLZECYFSBJFPT-NSHDSACASA-N 426.442 0.913 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 1320399464 RZOPCKADUIOTKC-JTQLQIEISA-N 438.431 0.927 30 20 ICED CC(C)(C)OC(=O)[C@@]1(C)CCN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C1 1335317439 ZHPDDTLHAIGWNB-QFIPXVFZSA-N 449.600 1.000 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1353656866 BAXVVEALENCMMJ-PBHICJAKSA-N 430.486 0.906 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1COCCO1 1360237614 KEJTXGUIDZPVIH-QGZVFWFLSA-N 440.508 0.425 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1360681281 PBMBURLFZKPHIP-JKIFEVAISA-N 429.522 0.051 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)c(=O)nc1O 1466087188 LJMNCYHAAQMCPW-OAHLLOKOSA-N 446.261 0.673 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1510353154 PHVAYWRXAQHPNR-HZPDHXFCSA-N 438.554 0.920 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)n1 1543066874 KTWIIFJOOZHEDU-SJORKVTESA-N 433.538 0.836 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1618568033 UXDLAHFXLBBIPH-QVKFZJNVSA-N 428.493 0.698 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1619239923 PLRHQJHUHAAICW-KNQAVFIVSA-N 426.521 0.867 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 1683813746 YMMXMKBPDMSOLI-UHFFFAOYSA-N 448.531 0.919 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1710484384 SSITXEUZPKTGKA-CNNODRBYSA-N 447.584 0.685 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1710887854 WGAVKYCDUMYAQK-KRWDZBQOSA-N 433.538 0.664 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CCO1 1748210803 KNQGDCFEEAFEOS-LPHOPBHVSA-N 439.520 0.489 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1749831045 UOWRWIJNPCELKR-HNNXBMFYSA-N 427.527 0.088 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1766723075 MCVMIIAWLHXDSR-UHFFFAOYSA-N 445.549 0.815 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1=O 1771136564 TZEYOSVTAXAGEZ-JOCHJYFZSA-N 440.504 0.917 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1771529237 JTPMRIZYNSNMLI-IINYFYTJSA-N 438.407 0.301 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444938 DTPSHYSGIAFDTD-KURUZVKSSA-N 425.493 0.645 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)CC1 1778847896 FCAGBCOVRSIUIE-ODMQBNIASA-N 445.564 0.460 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1778968379 RLNAYMZVZFTSRX-VGOFRKELSA-N 432.521 0.538 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779106243 YWPLFSLLHHJVRM-MFBSEBAMSA-N 434.449 0.465 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237673 WDPIJMCLRJPFIE-VGSWGCGISA-N 447.536 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1779330639 OINVGLKIBHRZOS-ZGPJWRFFSA-N 444.594 0.754 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779360787 PTYGINYKXXMVHM-XMEVSZALSA-N 433.553 0.498 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1779397549 PPZUBYTTYNHXEH-DYESRHJHSA-N 430.505 0.941 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1781264410 ZAVRGVRRCMTYGK-KXBFYZLASA-N 430.523 0.006 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781397359 XRTMYOJYFQHKFS-IIBYNOLFSA-N 428.493 0.903 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2)C(F)(F)F 1781803721 QVYYGKRXGIGTEZ-AUUYWEPGSA-N 443.422 0.934 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c(Cl)c1 1781967448 CMNGEZOANUHRJM-UZLBHIALSA-N 433.896 0.248 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 1782010252 DXFACVQXGSSHAI-AUSIDOKSSA-N 442.468 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782203472 VYFRZSJNUDBSQQ-OBNJBMLMSA-N 426.510 0.707 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2)C(F)(F)F 1783206777 UKSXZVKDVHCMBR-SFHVURJKSA-N 437.378 0.652 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)SCC(=O)N3)CCO2 1783562829 RLDJWCQDJJOWSV-HXUWFJFHSA-N 429.454 0.262 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1785075838 IMZMZUZCODCYAW-LZFQIVBZSA-N 427.505 0.350 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1)C(=O)O 1785080465 XXAZOQWMVGSJEQ-REDKUUPNSA-N 428.489 0.820 30 20 ICED O=C(CCc1cn[nH]c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785277366 FVXDWAVCZBCKHS-YVMYYSCHSA-N 433.509 0.851 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1785379874 FTZRCLMZYSYTCU-QHCPKHFHSA-N 449.467 0.801 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859024 CFLHGKXXLHCALR-OWSLCNJRSA-N 435.569 0.553 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247808 SGWNXAMAEQISKX-BZSNNMDCSA-N 442.507 0.342 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)CCC1=O 1788676883 SWXICYFMQSBNFC-XPLYWSEASA-N 429.477 0.286 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791264020 XHRDXMBKPUYBOZ-QXKUPLGCSA-N 445.582 0.560 30 20 ICED C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791631165 WCKHNDHCXDWHCW-MJCDZZSQSA-N 430.553 0.971 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)N(C)C 1792701879 GZRDUEBCFLNCRK-YYIAUSFCSA-N 449.552 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1 1792962958 WGSCQKOYIZMCBW-UOGKLXEZSA-N 433.505 0.024 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793366215 IEXHZZDERKUDMH-KBMWQNTOSA-N 447.557 0.761 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)c1ccccc1 1793419963 SLCXZLDTGKLUKD-WPVAHCMFSA-N 425.485 0.882 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1793571731 KMOIOBIFUVATCI-RMFSNUHRSA-N 427.501 0.992 30 20 ICED 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)S)C2 1796392922 QCEXLBABQLHNFD-UXXRCYHCSA-N 431.555 0.434 30 20 ICED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797656548 KTWMNIDTLFTSAI-XOIINTDNSA-N 446.422 0.380 30 20 ICED CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)no1 1797808591 KJEBVUDYVGXQBQ-VZEXOLIBSA-N 449.508 0.854 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797811532 OGPGQOXLNPXTLJ-KJOFTXCUSA-N 433.465 0.217 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1797818657 XSJCIEIRTAGROZ-GOXRVTLOSA-N 429.477 0.608 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798431076 FPTYWANDOQSHJL-DXFUESDRSA-N 441.536 0.705 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798578398 KIHNVZCJJFVZLD-HGKCTWBKSA-N 445.545 0.254 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2)c1ccc(O)cc1 1801056123 YJWJEQRQBZDZCI-OABCGFQXSA-N 441.528 0.990 30 20 ICED 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(COC)CC1)C2 1802124800 KJQZIXZGJXNCBT-MHORFTMASA-N 449.548 0.919 30 20 ICED 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)C1)C2 1802126768 NKSNXBHRSBKHOG-MHORFTMASA-N 434.537 0.054 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190037 CGCIDBMMSVVJRO-PBHICJAKSA-N 435.431 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1807142856 HEQJMJWBEJAPAV-NSHGMRRFSA-N 440.548 0.895 30 20 ICED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807150756 OMGLDITXDUJJSE-FUHWJXTLSA-N 430.509 0.725 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1 1809822970 ZQZKRWPTMRETDV-BEHCFYTASA-N 437.541 0.339 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810250333 VBEKXXIAFRBYET-GJYPPUQNSA-N 441.536 0.994 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)C(F)(F)F 1812675583 STNQWMUYSBREOY-BBRMVZONSA-N 439.394 0.758 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cncn2)[C@@H]1c1cccnc1 1813397609 SDCPMJXTSZIFFA-WOAZYZLQSA-N 437.504 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)[nH]n1 1814436526 QWAKPNHRBURUJW-HLRDLLSLSA-N 441.492 0.868 30 20 ICED CC(=O)Nc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)ccn1 1817909492 XHYNZBFFNQAURO-LBPRGKRZSA-N 427.442 0.810 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCOCCOCCOC)CC2 1825027571 LLZJSYQKKVTJLQ-CQSZACIVSA-N 425.507 0.385 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398475 CJMLNIGBAAEXED-PBHICJAKSA-N 441.492 0.084 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829801682 HDSGIOZUCXNCKV-HTAPYJJXSA-N 429.521 0.998 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899032 QWEUJRZOYWXAKK-REWPJTCUSA-N 426.517 0.651 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1831391457 BXILWSCIJIEGGK-HOYKHHGWSA-N 441.528 0.787 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831449596 MSSMMWLZNRAGES-QGZVFWFLSA-N 436.477 0.560 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831627533 ACJPSQSLHGFZCX-ZMELMJDUSA-N 427.498 0.254 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831895506 SADSGWDCAWHARE-VKUXZERMSA-N 432.452 0.149 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832831512 WPXICSFOISGOAF-VGOFRKELSA-N 433.480 0.648 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833195397 DQERZDOAEPUHSM-AVRDEDQJSA-N 446.552 0.257 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273951 ORMYBYRXACRMDB-HSZRJFAPSA-N 443.500 0.089 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1833468602 VAAJXGPZCPINOV-ROUUACIJSA-N 434.581 0.901 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833659799 HYHJAQCQBOGFTH-HTAPYJJXSA-N 430.505 0.256 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833994805 CACMZMKWFONRCF-VJIOCRDPSA-N 446.504 0.989 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC2)CC1 1835096618 JGYFFOHGRMLXED-SFHVURJKSA-N 436.553 0.731 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835443559 IKBCXDOYDNCKRN-XMMPIXPASA-N 441.528 0.217 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)[C@@H](O)C=C)CC2)CC1 1835713275 LRYKXUPKQRVDDT-LPHOPBHVSA-N 434.581 0.822 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836168802 QQXDVBVOUPVLNV-QFIPXVFZSA-N 439.472 0.534 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837207522 AVCKUAYDCJSAKM-IIBYNOLFSA-N 441.525 0.500 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838067473 KMRWORRSFYZEID-QGZVFWFLSA-N 430.509 0.945 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1 1838352372 GQRGWMMPAGKIIG-YWZLYKJASA-N 435.481 0.356 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1839223783 ACNKNUISIHJUNG-KKLQWCBXSA-N 446.548 0.986 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1)C(F)(F)F 1839892792 HCKIBGWWDQLJTH-CXAGYDPISA-N 436.431 0.269 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1840042644 GLIMECZUMPGRNU-KGVIQGDOSA-N 446.887 0.988 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)CCC1 1840815018 RICHEDGAVYTSDB-QGZVFWFLSA-N 442.398 0.587 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840844362 RDEANBHWWHYYOH-JTSKRJEESA-N 428.489 0.070 30 20 ICED O=C(CCN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840939632 MTVUKVIFEMMOMH-DHNIJCFSSA-N 432.521 0.641 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c(C#N)c1 1845138550 OODMHAHLBHNILN-UHFFFAOYSA-N 448.483 0.566 30 20 ICED CNC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 32783331 WDRJPSNABFLREQ-UHFFFAOYSA-N 442.497 0.830 30 20 ICED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C 105947638 ZNYXMVFPMZPHIB-KBPBESRZSA-N 439.538 0.678 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCOCC(F)(F)C(F)F)n2)cc1 434557004 PMUWMKBQMWUNDI-UHFFFAOYSA-N 428.346 1.170 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C1 436644524 AATPPFMPPJPQMF-HNNXBMFYSA-N 443.467 1.433 30 20 ICED Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 439779988 JDPDKFAKBNTQLR-QGZVFWFLSA-N 439.476 0.469 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O 440259244 KQSCKQXDPMMPOB-LJQANCHMSA-N 441.532 0.568 30 20 ICED CC[C@@H](C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 474064334 ZWFLTTBGOZGXAV-UZLBHIALSA-N 429.521 0.267 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCOC2)c1=O 478849030 BFMBLCQBBUPAAG-CQSZACIVSA-N 427.530 0.505 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1)c1ccccc1 480939536 SWTISAJIVQEQKL-UHFFFAOYSA-N 446.492 0.846 30 20 ICED COCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 481974067 MCKQROWBIKGADC-INIZCTEOSA-N 443.547 0.231 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 482060455 LECFZHZUHLNDGM-JSGCOSHPSA-N 430.490 0.904 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)on1 490841088 ZYQRHKXUTSNHIA-UHFFFAOYSA-N 434.460 0.777 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)C1=O 502116037 BMZURPGCOJHJJB-MSOLQXFVSA-N 428.489 0.158 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc1OC 507090361 YELOKARYAJNTMG-UHFFFAOYSA-N 429.498 0.644 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508710915 CWCFMQASILUTRQ-UHFFFAOYSA-N 437.570 0.814 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)C(=O)C1 508866362 ZRALGMXVEUHGAA-UHFFFAOYSA-N 433.538 0.719 30 20 ICED N#CCCn1ccc(=NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)[nH]1 525856726 IPEZKFMFHUMXQY-UHFFFAOYSA-N 433.476 0.027 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 526096533 WJSIJQYJGMOWLR-UHFFFAOYSA-N 426.481 0.433 30 20 ICED CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527089924 KGXQUQHTLMXAHX-UHFFFAOYSA-N 441.492 0.994 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C#N)o2)c1=O 573189502 LTOZFDFJALMTMU-UHFFFAOYSA-N 438.465 0.823 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)c(F)c1 588193684 SIIHFFRVXRUCTF-IAGOWNOFSA-N 442.495 0.845 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O 589161903 ZGIKZYZSRIDKOK-HNNXBMFYSA-N 447.582 0.886 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CC1 603998448 QVARGCHTKSBKQE-UHFFFAOYSA-N 432.483 0.576 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 609029052 SNDMWRDOHOKIQM-SFHVURJKSA-N 434.518 0.732 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 609747951 NBXDVMPAMMHOSM-QGZVFWFLSA-N 443.533 0.737 30 20 ICED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 610532060 UKYFMNFPHCXYJK-MRXNPFEDSA-N 440.460 0.706 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 610807164 OEZPCBHWQQADEY-APWZRJJASA-N 433.578 0.852 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)c1C 611187354 MDWZMJCNYXMFIZ-UHFFFAOYSA-N 432.506 0.697 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 731723917 MTNCQTWYDUVPNG-FQEVSTJZSA-N 435.436 0.731 30 20 ICED COc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)c(OC)c1 732155028 XHCQOVSKBNJODZ-MPRRQWPQSA-N 428.445 0.699 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CCOC 742530713 DLMDZCXPJBJZTF-UHFFFAOYSA-N 445.541 0.609 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)c1 748989276 ZSUXFWNUXGDPLC-OQKWZONESA-N 447.517 0.271 30 20 ICED C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 749586808 OLQBOEHOPNNOEK-JTQLQIEISA-N 449.270 0.954 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 761032321 HFBYRDPIYKJXES-INIZCTEOSA-N 438.550 0.136 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c2ccccc2O1 762003989 AFDPSZLJANOYLA-VQTJNVASSA-N 434.452 0.998 30 20 ICED COCCN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 768875939 AEPWWQCACIKRTN-FXBPSFAMSA-N 437.522 0.822 30 20 ICED C#CCCN1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 776594438 GPQBFLKEYSWBAW-GOSISDBHSA-N 434.562 0.675 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 778770086 XCEVOJRZLDRCCA-KRWDZBQOSA-N 433.424 0.856 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](CNC(C)=O)C2)[nH]c(N2CCC[C@@H](CNC(C)=O)C2)n1 804388268 RIXXYXHSXBYDBV-OALUTQOASA-N 442.568 0.044 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2=O)cc1 812502765 ONNDIOOUZOLOMW-NVXWUHKLSA-N 444.469 0.372 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 814573992 VYKJTICPHVZTKU-IEBWSBKVSA-N 449.529 0.976 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCOCC1 913479094 OAAXFTMFXUHDMI-INIZCTEOSA-N 436.534 0.649 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 920188848 OEMYYQGUDJUUDR-UHFFFAOYSA-N 437.522 0.626 30 20 ICED Cc1nc(N2CCN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1164292218 VKUZTPOJUAWUOZ-MRXNPFEDSA-N 445.549 0.915 30 20 ICED COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1518714368 PEAXSAZELDOAEN-QGZVFWFLSA-N 442.524 0.671 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1545777402 ZJJFWPBOTNYJCH-RDJZCZTQSA-N 429.525 0.936 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N 1630049883 OPFKTDPGUGCALE-NSHDSACASA-N 444.307 0.461 30 20 ICED C[C@H](CC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636131111 KHKOKMFWRWSNEO-PBHICJAKSA-N 447.561 0.315 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1752272425 SNHXUMJDJDWPMM-CQSZACIVSA-N 431.522 0.375 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1768310752 BRJPQNPPHQHPHF-PMERELPUSA-N 430.534 0.880 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176871 MWAKYBHSZBRKBK-GCKMJXCFSA-N 431.493 0.016 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1 1780181854 QDBOKRPELGXBFU-MBOZVWFJSA-N 434.518 0.591 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780636798 NBCWSWZJSDPKCQ-DZCCDHAISA-N 434.581 0.175 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)c1 1781055948 DPUNOUFCWRNSSB-JLHGSKIFSA-N 425.489 0.731 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1782010215 HNLCLXFPCSIISP-OUWGLZAPSA-N 443.456 0.054 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)C[C@@H]21 1783532713 APAYHGMDDLMPKT-HQAXBYDXSA-N 442.516 0.687 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1788249944 HBEUGDXARQLKAF-CKBXSBTMSA-N 449.548 0.607 30 20 ICED CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790558709 AURHXUYCLARDJJ-LWNBLTCQSA-N 436.509 0.535 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1791269271 LGCRBFWWSYDSTB-SZMVWBNQSA-N 425.489 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnccn3)[C@H]2C1 1791695939 OPLUDFAESVZMHG-HEBARACUSA-N 425.489 0.328 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793823108 PZQNKNDMGVGEFN-GGXPGOJBSA-N 432.546 0.709 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794116489 YHRPJIAUAWDGOL-JLVBRIDZSA-N 447.561 0.349 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)c1 1795639013 DCENPXXTRAVUET-JQAJVKEVSA-N 427.505 0.110 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797946424 YAIOWTWHXOOZRY-NMZZKHSVSA-N 440.500 0.390 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ncccn13)C2 1799303703 PILXYXBEXHGQLY-ALXJQNPVSA-N 441.488 0.750 30 20 ICED C=CCC(=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 1801000108 JNJPXTSWUKYPFK-OREBXVKISA-N 437.537 0.770 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190236 DDFHXIVCIFAUFR-UTKZUKDTSA-N 425.489 0.833 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190522 NYIMGNSFNRXAPO-OGWOLHLISA-N 444.492 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)CC1 1806039580 HQVWALKCVLCXQQ-JTGQJZMRSA-N 439.578 0.757 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1808869183 MPWMGLWXPRWOCO-LDBYXDLTSA-N 441.488 0.813 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810247318 UNXKOEDRTWFXPJ-DYXWJJEUSA-N 430.549 0.993 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1812669356 XWNJWSINBPKRER-RHSMWYFYSA-N 435.431 0.851 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1823744653 ZRHKDBYYBXSXLE-HPFMTEOYSA-N 430.553 0.304 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1829778156 NPEFUDASRGUIEE-YCRPNKLZSA-N 436.509 0.033 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1831387007 DAOYIHNYMYDHPY-FDDCHVKYSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1831392101 JBEGERQLSACZOR-SBUREZEXSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831399501 VNRPWNZPYTZBGW-JTSKRJEESA-N 426.473 0.443 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831493267 RLWAXRUUIQAZQE-YJBOKZPZSA-N 426.495 0.947 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831496635 ZQSCOFIOZPDQJV-XLIONFOSSA-N 440.518 0.828 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)C1 1832873936 ZLZCCFKVEMBDBH-JOCHJYFZSA-N 430.505 0.557 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C)cn3)CCO2)C1 1832987196 LSMNHJSQMJJONN-WMZHIEFXSA-N 429.517 0.817 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833121704 JQJCMZJHYXMCCQ-IRXDYDNUSA-N 435.569 0.885 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1C(F)(F)F)CCO2 1834574947 ROOQKRWPJUMNGU-INIZCTEOSA-N 447.391 0.320 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1Cl)CCO2 1835177273 JKCYKUBFHSSGAT-OAQYLSRUSA-N 434.876 0.817 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835359828 KUJUNFHNWYNEBH-LJQANCHMSA-N 432.868 0.985 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444958 FKBHFLYZPHEWAN-REWPJTCUSA-N 435.565 0.934 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835689843 JNIMNYZGOGKRAG-AOMKIAJQSA-N 438.488 0.852 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837557988 YDPNWZQMSBQVOI-BDNZGDGKSA-N 447.488 0.962 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1837790462 VZSVQYDOHXLLGA-UHFFFAOYSA-N 445.564 0.453 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(Br)n1)CCO2 1838378775 IHUZTUPQWKQNAQ-SFHVURJKSA-N 438.278 0.556 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1838950738 AVODKWCYTXWDPF-NRFANRHFSA-N 439.428 0.143 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085040 UDPGYXXNAWWAJW-YYDVJCTNSA-N 431.533 0.647 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)OC)C3)C2)c(C#N)c1 1839132740 QRIUBHQIUUYPTG-OPAMFIHVSA-N 431.489 0.601 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)C1 1839189698 ZODJBICFWJGORL-JOCHJYFZSA-N 430.480 0.258 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839846283 NXSRYOFDLBHJLI-STSQHVNTSA-N 444.532 0.869 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)C1 1840571882 VOAATVMMHLWLHJ-NRFANRHFSA-N 432.908 0.843 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058402 ILTHIBOFWBJZMP-KGLIPLIRSA-N 431.493 0.997 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1845131137 XZPXIQPXAORHSF-BZSNNMDCSA-N 448.564 0.609 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1846414752 ATXJVCNRZBZHOE-KRWDZBQOSA-N 441.484 0.636 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)n3[nH]nnc3n2)cc1 1847211827 WHVQYRGWVWDADF-IRXDYDNUSA-N 432.444 0.132 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 16617100 ALMPPQULCVSWRY-UHFFFAOYSA-N 427.465 0.399 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 108557142 OBMMLBQDYNASOA-OAQYLSRUSA-N 426.473 0.781 30 20 ICED N#Cc1cccc(-c2cc(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)on2)c1 447507431 NAZLGZKOJHTMAQ-UHFFFAOYSA-N 445.501 0.984 30 20 ICED C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462040346 QXDXUIMHDUAWFK-FXJWEYNDSA-N 426.448 0.897 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 465418382 UAWGXLUORSJOFN-CQSZACIVSA-N 433.472 0.916 30 20 ICED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c1=O 467909501 GYAPVCKVSVJTSZ-UHFFFAOYSA-N 442.479 0.862 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480937221 WGHVDRXWTZSGEM-UHFFFAOYSA-N 443.466 0.697 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 485751391 LGMAECOFLVFOTF-ZWOKBUDYSA-N 433.578 0.709 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccnc3N3CCOCC3)C2=O)cc1 488633217 ZLIBKBIEKAWDFE-LJQANCHMSA-N 448.483 0.646 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 491046536 HIERAFJRCBZBED-HNNXBMFYSA-N 431.493 0.045 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)CC1 501084395 WXGLPXDINIHYBI-LJQANCHMSA-N 447.605 0.616 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1=O 501455618 VNCLKJRIMUYSCW-AWEZNQCLSA-N 426.470 0.260 30 20 ICED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 505825356 IVOOPNMZOJMSOX-UHFFFAOYSA-N 428.898 0.279 30 20 ICED CC(=O)N1CCC(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 506799682 ZODQLMRFMLGYCP-LJQANCHMSA-N 448.545 0.855 30 20 ICED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507556591 XCPPKIDAYKWOFL-UHFFFAOYSA-N 431.518 0.904 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 513039363 ADHHWPIPIMTLFA-KRWDZBQOSA-N 427.486 0.660 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C1CCN(C)CC1 518468783 DEWBMYKOBOFHJZ-UHFFFAOYSA-N 433.537 0.974 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 525596192 SPBKXVWIYPHWLG-UHFFFAOYSA-N 433.511 0.970 30 20 ICED C[C@@H](C#N)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 532308164 YDZQRYVZZSXMFR-HNNXBMFYSA-N 437.522 0.825 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 538169942 JOEMOFZCEWICLK-AWEZNQCLSA-N 427.523 0.963 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 545296540 UJUOWPCACCIFLR-HNNXBMFYSA-N 434.460 0.976 30 20 ICED O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 554130738 BDZNLUYQHPMKJN-SECBINFHSA-N 436.328 0.310 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)CC1 559311641 ZTBBENCONWYLLO-QZTJIDSGSA-N 429.550 0.878 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 560941683 HZKOGBWZXVXODV-URKNILKWSA-N 444.517 0.437 30 20 ICED CC(C)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2 561778899 JTFMVQVGBAAHRO-IBGZPJMESA-N 445.549 0.537 30 20 ICED CN1CCN(CC2(C)CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 570735160 FIKZQGCLSUXUBR-UHFFFAOYSA-N 433.578 0.713 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 573150388 KQUHDJBIBADRNH-KRWDZBQOSA-N 438.467 1.033 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 574779970 HVRMGVQATDXWEE-UHFFFAOYSA-N 443.323 0.680 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)nc1 581030277 WFLBLKVNSVSJST-RBUKOAKNSA-N 426.521 0.361 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1 589293471 XAWCMRFNSZHRSK-UHFFFAOYSA-N 441.513 0.787 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 600875855 AITJEMGYFYVYDN-UHFFFAOYSA-N 430.472 0.217 30 20 ICED Cc1nc(=NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)n(-c2ccc(C#N)cc2)[nH]1 610982760 AUELBZXZFXESNX-UHFFFAOYSA-N 430.428 0.376 30 20 ICED CCn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)CC2 612234137 XCTCIJBGVCMNQF-UHFFFAOYSA-N 425.445 0.683 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)Nc2ccccc21 729358010 CVNODBIKHUHJIM-CYBMUJFWSA-N 442.453 0.754 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)NS(C)(=O)=O 731651280 AQXRMQRWEHRJGW-CQSZACIVSA-N 444.579 0.728 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2F)c1=O 732663317 RFCNBDMJBYVVRE-UHFFFAOYSA-N 433.530 0.774 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 744005971 BJZJGJXXUQJTOA-UHFFFAOYSA-N 449.510 0.680 30 20 ICED C[C@H](CC(=O)Oc1cccc(C(=O)NCC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 744145946 KMMFVRYCFCYQEJ-GFCCVEGCSA-N 444.469 0.324 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 750419452 HXIBEAIZYMDSCH-OAQYLSRUSA-N 438.465 0.898 30 20 ICED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 752881008 LEOAYKIODLUWKU-KGLIPLIRSA-N 449.533 0.763 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1 753660194 YXXIZEOTOKTZDN-UHFFFAOYSA-N 438.483 0.481 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755620464 YPWZHBUXUHHQHG-UHFFFAOYSA-N 443.573 0.540 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758640923 JSXFUKFRXGUBMF-HUUCEWRRSA-N 430.527 0.855 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)CC1 758765343 YFGUMVCWAQGYPP-QZTJIDSGSA-N 448.568 0.941 30 20 ICED CC(C)N(C)C(=O)C1CCN(C(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)CC1 762741778 ZQDAEGSKMSQTFA-UHFFFAOYSA-N 438.550 0.832 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCS(=O)(=O)CC2CC2)cn1 764879148 OCGPOXKHWQXMGV-CQSZACIVSA-N 427.552 0.795 30 20 ICED Cc1noc(C2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C2)n1 765893773 BZMLSKVNUWLQHE-KQWNVCNZSA-N 446.489 0.755 30 20 ICED CN(CCC#N)c1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 768249273 BTRYIKIAESWKOV-IBGZPJMESA-N 440.591 0.671 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 771565703 ILZYAKPIAWMEAC-FQEVSTJZSA-N 442.453 0.839 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H](O)C2CCCCC2)CC1 782373620 YGYBXLLPFKPISD-HXUWFJFHSA-N 449.529 0.876 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)c1 785286814 RMOPMIJTENWOQH-NHEFTAMWSA-N 444.460 0.666 30 20 ICED COC(=O)[C@@H](C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 797292728 ULXWWQHLOZZGDQ-GFCCVEGCSA-N 445.519 0.293 30 20 ICED Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808237620 YXTIFACXTBEYAQ-RBUKOAKNSA-N 434.500 0.915 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 916199171 BUPMISUMZUHWEL-UHFFFAOYSA-N 441.509 0.468 30 20 ICED CC(C)[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919549300 MXWPLPFPCHGFEY-RDJZCZTQSA-N 445.501 0.811 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1314674675 WDGUECQWXFTCRE-SFHVURJKSA-N 445.549 0.229 30 20 ICED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1359467803 ZCIKKWDUNVZTSZ-IKGGRYGDSA-N 441.602 0.841 30 20 ICED Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)N(C)C)n1 1492518019 OTINJSFEHJRZAD-UHFFFAOYSA-N 448.535 0.977 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CCS(=O)(=O)CC1 1511886579 QJZFFKUKQXGQIS-UHFFFAOYSA-N 448.524 0.864 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(CC#N)C1 1557187887 PVXHSOAXRBOFES-YJBOKZPZSA-N 427.910 0.750 30 20 ICED CC(C)C(=O)NCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1691523355 VILVSGGOELFFHR-LSDHHAIUSA-N 441.558 0.122 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696046915 JMDWGWUAQKCFJQ-FQEVSTJZSA-N 428.497 0.823 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779018817 JPDHUFNSNBUDCM-HLQTZPMBSA-N 425.493 0.873 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1779064981 LRRYDWAOEUKATG-FDGPYGQJSA-N 429.561 0.855 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779070866 CRDYJOMOQGHJKB-SIKLNZKXSA-N 443.456 0.497 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780408656 UQLORSFIEGRRNS-XMSQKQJNSA-N 427.505 0.957 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C(=O)OC)CC1)C2 1780741281 ROFUKDFJWWFUEU-IIBYNOLFSA-N 436.505 0.963 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781097408 CGYKYEIBLHMBNI-WZONZLPQSA-N 425.533 0.638 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114131 HDDKZKHKKZHOEN-IUKKYPGJSA-N 449.548 0.848 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CN1 1781778335 RDBJXHFTPCQBGP-HIYRQUNLSA-N 436.509 0.165 30 20 ICED COc1ncc(Cl)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009533 NXVFDHBPSAIACX-FOIQADDNSA-N 435.864 0.959 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1783048070 OREXLGSGDYLMCB-JPYJTQIMSA-N 442.516 0.981 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)CCO2 1783048328 YXKORSUNWGLRED-NRFANRHFSA-N 429.477 0.737 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1784012480 KPOSVABLVFKQLA-GAJHUEQPSA-N 438.484 0.595 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1784482831 GZBQBGFXJYETHL-ITJSPEIASA-N 438.528 0.771 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328379 PGHCFWKMZPJVDT-RMRKRWHISA-N 443.504 0.522 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1785379806 URBKBVBDFNAUAY-JOCHJYFZSA-N 439.472 0.823 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1785572279 KGGYFQKNBDKUOR-HTAPYJJXSA-N 443.504 0.837 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1ccc(N2CCOCC2)cn1 1785721642 YVEHMEJTDSKNOF-VCOUNFBDSA-N 438.528 0.925 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362491 VFTPOWONQFWJNY-VTRWRZSMSA-N 428.489 0.059 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 1786860271 VMQJURCXQSBBLH-FHWLQOOXSA-N 430.553 0.925 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CN)c3ccccc3)[C@H]2C1 1786922069 OGFBOICQGZPQMN-TUFLPTIASA-N 441.576 0.990 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1788525663 YKLHSVMGQJQEQU-LRSLUSHPSA-N 446.592 0.899 30 20 ICED CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631029 DXBHBWVBYNYPJC-UFYCRDLUSA-N 447.576 0.971 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789250268 KMBMNTNMSYKAPI-BODMPHMZSA-N 436.530 0.747 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ncccc13)C2 1792490866 QOPBFZHMFHPPTK-PFIYSYJPSA-N 435.484 0.691 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792557616 BHHNHDSDZHVDOV-HCBXPFHNSA-N 434.500 0.981 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)c([N+](=O)[O-])c1 1795411849 ZUQBJVGSXJFGFQ-XOIINTDNSA-N 442.428 0.888 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)cc1 1799643632 RRVBVDFMRYNHTA-BJWYYQGGSA-N 434.456 0.159 30 20 ICED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CC1 1800365985 LTYISHWJXVLWSD-XEMDLRDOSA-N 441.484 0.870 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cc(F)cc(F)c3)[nH]n1)C2 1800774160 ZSHKPKOLXCQWBJ-NXCRSVRDSA-N 444.394 0.646 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1800984068 HROCNULRJDAFKB-FRQROOTJSA-N 426.560 0.541 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)C2 1801000156 OKTGPDHXYIEQEX-JHDGKUDLSA-N 446.592 0.875 30 20 ICED C#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]1[C@H]3COC[C@H]31)C2 1802125928 CVGAQVYMFVPUJE-XJBBOAPUSA-N 447.532 0.385 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804086807 BGEGTVRPQYCLPX-QGTPRVQTSA-N 433.534 0.594 30 20 ICED 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)n1cnnn1)C2 1804376515 MSTHMDVUVPBJQZ-NQNKBUKLSA-N 445.524 0.789 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804415984 SLSIYHDMRHGKGY-MDYRTPRTSA-N 440.460 0.931 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1806768580 LITIZNAVKJFZDM-RXVVDRJESA-N 447.557 0.831 30 20 ICED C[C@H](C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)n1cnnn1 1807151792 OVINJDKTCZNPFO-NJAFHUGGSA-N 439.524 0.617 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1808431706 INOXXOSFLHUNGW-BQFCYCMXSA-N 430.461 0.705 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3=O)[C@H]1c1cccnc1 1812881683 ZIYFQLZKLIQZGE-IERDGZPVSA-N 432.436 0.733 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1814108270 VCTTTYQMYQHQBR-IRFCIJBXSA-N 429.473 0.996 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)CC3)c1 1821600066 HZVSKJCCOZVONZ-SNVBAGLBSA-N 449.456 0.613 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)cc1 1829628736 VTJLCYJUOWOZRL-AVRDEDQJSA-N 442.472 0.056 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C3)C2)C1 1829670617 GSDHRVQVNCRAGP-HRAATJIYSA-N 439.509 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1829765509 YUARZMGIINCXLD-QEVIJRNUSA-N 433.530 0.605 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1829769343 RBVVRZRGLZODAN-XSAUMEDDSA-N 446.504 0.090 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830468451 MBMXPDKPUUIIBM-HXUWFJFHSA-N 429.864 0.580 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830630335 KGMOODKJBPTQGZ-UTKZUKDTSA-N 426.510 0.359 30 20 ICED C[C@H](Sc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831159334 IHMZQSIZBRECMY-HRAATJIYSA-N 432.498 0.712 30 20 ICED COc1ccc(OCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207586 SKWGUZSVQPRZCO-QHCPKHFHSA-N 428.485 0.944 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1831393334 XFEUOYRLDJKQTR-GAJHUEQPSA-N 444.532 0.882 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)n1 1834088238 ZZIDRUKYXJBHJV-UHFFFAOYSA-N 442.564 0.699 30 20 ICED O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834872840 WLVZPJDYFQTGQU-UHFFFAOYSA-N 442.564 0.548 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835128962 UDHZELYLXDRNHL-KSEXMQBYSA-N 448.564 0.177 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1835359287 BTQVWVXHJOUVEA-YAQIIAKESA-N 430.461 0.212 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835642838 SYVNLFPCOJGJAZ-BEFAXECRSA-N 440.541 0.214 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1835680433 IANNZODRCWUJIC-JOCHJYFZSA-N 432.521 0.950 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1836025273 LUCZYSSREKWVGT-JOCHJYFZSA-N 446.504 0.076 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440577 NJVKLHHTYYWPFS-YQNSVDCASA-N 445.520 0.632 30 20 ICED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838736234 RWMNPOFVNHBUGE-SIKLNZKXSA-N 431.537 0.979 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838762526 IWTXWGVCFNLLPR-SJKOYZFVSA-N 447.414 0.485 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1839174742 UWKXEAZXQJHUSG-JOCHJYFZSA-N 431.489 0.590 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1839175153 RPZSLTJMCBCLIV-OAQYLSRUSA-N 432.477 0.364 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839338198 MYDBQSWNTHKBPS-JOCHJYFZSA-N 438.440 0.030 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840159855 PNYUCMMHYLKSQV-BZNIZROVSA-N 434.440 0.884 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271149 CTMJQHMWWLCFRA-NEYJZJCJSA-N 425.526 0.795 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)c1 1844726363 WYMWZNASAYDENM-IBGZPJMESA-N 443.456 0.879 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1845132506 XZPXIQPXAORHSF-KSZLIROESA-N 448.564 0.609 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](N3CCCC3)C2)CC1 60374474 AIULQDGYCJKARS-LJQANCHMSA-N 431.562 0.561 30 20 ICED CN1/C(=C/C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 104871956 HNKULXRDESOSCG-LTGZKZEYSA-N 440.544 0.870 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 108045929 PDKHAEQXIGMKIV-UHFFFAOYSA-N 427.548 0.793 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 410133624 ZPQOCRQCWAAUKN-QBPKDAKJSA-N 448.615 0.397 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)cc1 410175792 DVFHEOSAVPULCX-OAHLLOKOSA-N 426.520 0.009 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 429642279 YVMJKEXFPSYFAZ-INIZCTEOSA-N 429.502 0.839 30 20 ICED CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1(C)C 443112226 ADGFHFNFOKLXOW-UHFFFAOYSA-N 427.484 0.964 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCSC 443667783 IJVLVBNNBPZXPE-UHFFFAOYSA-N 443.550 0.865 30 20 ICED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 447911998 FVIUHZWBHPACOC-SFHVURJKSA-N 439.472 0.886 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460614215 LHXYFVRYXMHQKW-OAHLLOKOSA-N 438.492 0.136 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1C#N 472002376 MTKGAZQVIDTZFV-UHFFFAOYSA-N 427.513 0.483 30 20 ICED COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472200676 ZNWHSUMTVPHBAD-UHFFFAOYSA-N 448.461 0.806 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CCSC)c2=O)n1 479363501 LEIATHKXYDTRQX-ZDUSSCGKSA-N 431.539 0.785 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 488984025 NNXWZHVZUIDWNY-ZIAGYGMSSA-N 425.466 0.520 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 489274102 CYSLEZMNLJQVGT-LLVKDONJSA-N 440.478 0.911 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 506710074 IIGIJGALFIOGMD-SWLSCSKDSA-N 448.480 0.656 30 20 ICED COCCCS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 507960801 GXFRDSYMGXABHK-UHFFFAOYSA-N 434.522 0.754 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)cc1 508987852 PCUMIZKWNBBLFW-UHFFFAOYSA-N 443.504 0.160 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 509405054 YWWGDAQKOSYHEK-ZDUSSCGKSA-N 443.551 0.463 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(F)c1 519577927 HKOWQCWVTSPDEE-UHFFFAOYSA-N 439.494 0.975 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCO[C@@H](C#N)C2)c(O)nc1=O 520685401 XTJBBLKADMQPFL-HNNXBMFYSA-N 448.524 0.851 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(N)=O 522075768 NMWKPICGDMIUKD-AWEZNQCLSA-N 443.525 0.539 30 20 ICED CCn1c(CCC(=O)N(CC#N)CC(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21 523132306 VKXJFAVPGXUXHJ-UHFFFAOYSA-N 435.506 0.764 30 20 ICED Cc1cn(-c2ncccc2F)[nH]c1=NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527339520 KABUQBMUTSRNON-UHFFFAOYSA-N 425.428 0.343 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(Cc2ccc(F)cc2)c1C 533287089 JEMOIJNOALTQFP-UHFFFAOYSA-N 448.524 0.924 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533357048 NRJIICDOIJLAOY-NRFANRHFSA-N 428.493 0.433 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)n1 540288989 TYOPLICHUPEFPE-UHFFFAOYSA-N 434.478 0.841 30 20 ICED C=CCn1c(Cc2noc(Cn3c(=O)n(C)c4ccccc43)n2)nnc1N1CCOCC1 546354743 AMCQDUGXLNSDQF-UHFFFAOYSA-N 436.476 0.976 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccnc3N3CCOCC3)CC2)n1 550929675 WGTDOYWDJKZXBJ-UHFFFAOYSA-N 435.488 0.150 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)nn1CCC#N 551320650 CAJQSEBECALZRX-AWEZNQCLSA-N 445.277 1.338 30 20 ICED N#Cc1ncn(CC(=O)NCCCNS(=O)(=O)c2ccccc2Br)n1 552880806 WCGAGCGIUKOQFR-UHFFFAOYSA-N 427.284 0.397 30 20 ICED C=CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 553275999 CJDLJDXUSAYSPF-YQQAZPJKSA-N 439.538 0.726 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 555735099 OFMCQQSRQYGNFW-UHFFFAOYSA-N 448.451 0.122 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 557696103 YDZZCFBYBGGDSV-UHFFFAOYSA-N 425.533 0.968 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 560983279 RSSNZIXHEMAAAI-UHFFFAOYSA-N 434.500 0.678 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@@H]1CCOc2ccccc21 562852440 LNSWRTFOEMHRHP-MRXNPFEDSA-N 435.509 0.573 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c1C#N 566015015 DQWOLAQIMKHCML-UHFFFAOYSA-N 425.449 0.782 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCOCc1ccc(C#N)cc1 566887650 PPGISYFUMMLKPA-HNNXBMFYSA-N 444.513 0.999 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)CS(C)(=O)=O 580854742 ADXHEVVPQRHJEK-PBHICJAKSA-N 434.518 0.451 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3c4ccccc4C[C@@H]3C)CC2)c1C#N 581900588 GVCKBPDTAUWQQV-INIZCTEOSA-N 435.532 0.816 30 20 ICED N#Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)nc1NC[C@@H]1CCCS(=O)(=O)C1 588841436 KIDVXTMAZSLCJG-CABCVRRESA-N 426.564 1.427 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 604270101 FKJDZVZZDKGPMX-UHFFFAOYSA-N 432.933 0.681 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 609351053 DTLWFIOZKDOXRR-UHFFFAOYSA-N 448.495 0.551 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 609778447 QTDHVUCCRBFIBW-UHFFFAOYSA-N 434.456 0.997 30 20 ICED N#C[C@H]1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN1Cc1ccccc1 733947404 ZIPMVOUNILEVBE-MSOLQXFVSA-N 443.529 0.388 30 20 ICED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741342378 OAQKVTXWNBIETF-QZQOTICOSA-N 428.445 0.852 30 20 ICED C[C@H](CC(=O)NCC(=O)NCCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742594929 GXUSFICSJNBGJY-OAHLLOKOSA-N 428.514 0.979 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)C 746399387 FJHXBSJUBPFJCI-OAHLLOKOSA-N 444.579 0.728 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 747735429 TWKXPUSTHNJADW-QFIPXVFZSA-N 426.473 0.450 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CC1 749993419 GZGYJSNPSPJWQX-IBGZPJMESA-N 433.306 0.994 30 20 ICED Cc1cc(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)nc2c1c(=O)n(C)c(=O)n2C 751663202 CVYZNJVIRSVTFF-CYBMUJFWSA-N 439.453 0.836 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 755552307 ZSTAUFJQVVGTSJ-WFASDCNBSA-N 431.449 0.364 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758049388 BUWRDOBKALWMBT-UHFFFAOYSA-N 426.542 0.637 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 763459399 AQJDBNYRVBWUCD-UHFFFAOYSA-N 435.509 0.366 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)c1cc[nH]n1 770822953 WQNOARRDCXVQML-LJQANCHMSA-N 442.476 0.064 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc[nH]n1 772145690 JWUWUAPHPISDRM-UHFFFAOYSA-N 449.489 0.567 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cn1 772281951 FGAUJLVGTXGZRS-UHFFFAOYSA-N 433.493 0.558 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772312794 XJPGLORYDQMBPV-UHFFFAOYSA-N 439.537 0.906 30 20 ICED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC2CN(S(C)(=O)=O)C2)c1 777468519 SVEGFGAXNAJTIW-MRXNPFEDSA-N 434.543 0.627 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 783453145 IVZCUXACTBQQMR-UHFFFAOYSA-N 432.433 0.490 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 783480548 KFADWCHQXXWHMT-APWZRJJASA-N 433.530 0.667 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CCS(=O)(=O)C1 783481948 ZHKPJHAMFXFAPY-IBGZPJMESA-N 432.546 0.416 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 802764336 BHTWLEPPZCXSLF-AWEZNQCLSA-N 431.474 0.581 30 20 ICED C#CCNc1nc(NC[C@H](C)N2CCN(C)CC2)nc(NC[C@@H](C)N2CCN(C)CC2)n1 804421925 VXMALJSZHWVMSS-KDURUIRLSA-N 444.632 0.012 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)NCCCCC#N)C2)C(=O)C1 804719314 AXBVUTDBJSEKGJ-INIZCTEOSA-N 435.525 0.867 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC2)c1C#N 805737420 KLTWBOINFSSXJI-AWEZNQCLSA-N 447.540 0.526 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@H]1CCCO1 809308852 KNMHUNDRTLRLJV-LEWJYISDSA-N 441.528 0.986 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CCC3CCCC3)CC2)c1=O 914568347 LHJOFHKELOZZCZ-UHFFFAOYSA-N 431.537 0.616 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)ccc1F 914657206 CEKLXEXVESKVRJ-JSGCOSHPSA-N 441.481 0.559 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 917021874 XIUCLFXLCSDOLA-QGZVFWFLSA-N 443.485 0.751 30 20 ICED CN(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(C)(C)C#N 919649217 OHGFABAQRBGHDW-CQSZACIVSA-N 449.485 0.927 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCC1=O 1116323637 QXUKBMWYJYIEBC-HOCLYGCPSA-N 436.534 0.239 30 20 ICED Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1290222628 XZBMUSDLDRXHLP-RDJZCZTQSA-N 444.565 0.817 30 20 ICED N#Cc1cc(Br)ccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1296230500 XSVPRJLKBDUHLW-UHFFFAOYSA-N 425.268 0.586 30 20 ICED CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1298571016 LADZKXCHGPWOKI-OXQOHEQNSA-N 431.518 0.839 30 20 ICED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1299315084 PLAXLTKMRMEPRN-OAHLLOKOSA-N 447.569 0.740 30 20 ICED C[C@H](CC(=O)N[C@H](CO)C(=O)OCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1320123276 PWDUGBLPUNTCCG-RHSMWYFYSA-N 445.497 0.724 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1511220266 YNOVSNDRRMHNQZ-QGZVFWFLSA-N 434.522 0.786 30 20 ICED CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)NC 1516619673 UFLWSLPQZWQIQZ-KRWDZBQOSA-N 434.522 0.813 30 20 ICED C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1669410244 PWIBPEYCPOQRKC-MRXNPFEDSA-N 425.493 0.330 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1696090730 NNXAQVCXWHGZSV-GCJKJVERSA-N 447.584 0.685 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1710973364 WBSVMNGXGOIZQW-AEFFLSMTSA-N 439.524 0.407 30 20 ICED C[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCO1 1724042159 PCEBKBFTZDPDDD-LPHOPBHVSA-N 438.554 0.920 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(Cl)c1 1778855595 WSKBGHVVYDHLTM-FQEVSTJZSA-N 443.895 0.988 30 20 ICED O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccc[nH]1 1779134855 NUUFKPIZWLDYPL-XMHVBLFMSA-N 441.488 0.677 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc[nH]n1)C2 1779428099 GFZCLDPRCRANCT-YCOPDDRQSA-N 433.509 0.995 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c1 1780173884 JAZNPTVFVOONSS-FQEVSTJZSA-N 440.416 0.955 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)C1 1781184318 VOWGAWPPIJCQMC-OAQYLSRUSA-N 441.440 0.934 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1781271393 PUNRUYLGEBOLKU-OAQYLSRUSA-N 432.477 0.619 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781790285 OQVFWARGYRHSIB-UWJYYQICSA-N 430.461 0.261 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782849937 JVRMAXRGNIQCIF-VOJFVSQTSA-N 440.378 0.061 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783924967 YBBBCRMPKILWMQ-PKTZIBPZSA-N 443.500 0.937 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1783991443 YHGBTUNEOMNULR-XSLAGTTESA-N 435.521 0.265 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784116951 WXWBGMNPTDRHQB-NRFANRHFSA-N 426.404 0.066 30 20 ICED C#CCO[C@@H](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 1784477468 CSGIUSQZDXKCOJ-RABCQHRBSA-N 434.533 0.984 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377340 CKLCFXNFVXWZNG-FQEVSTJZSA-N 442.501 0.974 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1785572586 MXYQYZXVXRSSDM-YCRPNKLZSA-N 431.493 0.770 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1785725479 VAEONINHWBJMIH-MBSDFSHPSA-N 447.532 0.866 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786795715 KJFJZRMUKILCPR-XSLAGTTESA-N 436.553 0.622 30 20 ICED Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786838222 NPLHFKIIHLLSCJ-ULQDDVLXSA-N 430.505 0.857 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788600976 PKUFHYRMMKBYQP-PQMCOJFKSA-N 442.520 0.472 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788749545 GIWMMGYEQLSTKK-XWSJACJDSA-N 445.516 0.898 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1792837380 LMLHIOBIZVIEIY-UPHUGPLXSA-N 427.892 0.963 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1792923143 XKQJFMXUZOMLSD-YRPNKDGESA-N 436.505 0.839 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1793357133 GXMVPVQZFAECNC-PDOICOKGSA-N 440.500 0.797 30 20 ICED CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794470270 QQXYSTYTQDZWSF-HGKCTWBKSA-N 428.537 0.633 30 20 ICED 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]1CCC(=O)N1 1795705320 MPUGDEMZHHFYPF-QEOTZNIISA-N 432.521 0.820 30 20 ICED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)cnn2c1 1797420100 JIMUGFGGQTYTKW-NRFPCQGCSA-N 439.520 0.713 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)c([N+](=O)[O-])cc1O 1798594780 KNRRLKNDUOFJIY-OJLPPKNESA-N 425.463 0.831 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799211037 NCCIUWIPDCGRER-OPVJXMOQSA-N 431.581 0.876 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1799394312 DZXWYTNMGDQQBZ-ZJOBFFGXSA-N 442.472 0.826 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)N1C[C@@H]2C[C@H]2C1 1799884289 QGNYMOPTRAXEAX-YBVDHTHOSA-N 448.527 0.978 30 20 ICED Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cn1 1799886000 DJWPUUBKIPHIPG-CWPLJXCYSA-N 433.472 0.614 30 20 ICED C=CCC(=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 1800996859 YWNXLFHXZWEFKG-FSNPWBFUSA-N 437.537 0.770 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1802017957 RSXFXKOXLGRJEZ-ZMMAXQRCSA-N 435.521 0.625 30 20 ICED 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)CC)C2 1802138420 BZQXBWWDDJKJIB-KNTMXKOESA-N 437.537 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]1c1cccnc1 1802475597 HRBUNFMCKIMQDS-ZHVLRHOESA-N 427.505 0.457 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1803039170 MJZNWNHFAZJAEJ-BQFCYCMXSA-N 431.493 0.887 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1804175271 DLVWTPQLVLJVQN-MAUKXSAKSA-N 434.518 0.550 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1806768579 LITIZNAVKJFZDM-NQIIRXRSSA-N 447.557 0.831 30 20 ICED O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1806907071 ZYFSPNXOAKOCND-AZDINULQSA-N 442.564 0.891 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808210042 GHQVDWLTGYXGKJ-SIXWZSSISA-N 427.486 0.202 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)COC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1810188375 ONBFMRIBOGOHHP-WBMJQRKESA-N 427.335 0.281 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1)C(=O)C(=O)O 1811540198 AJVOPQAODCRDQF-MAUKXSAKSA-N 438.444 0.144 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@H]1c1cccnc1 1812879586 BTSPMLDLXNXHLN-WBMJQRKESA-N 427.335 0.281 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813229226 LEHPVHKXFPZGEF-XLIONFOSSA-N 428.489 0.824 30 20 ICED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](N)CN)n[nH]2)c(C#N)c1 1818015549 YOVYSDCMEDBCBZ-FUHWJXTLSA-N 425.493 0.811 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1820894776 SZUJMZVUZRNFFD-DZGCQCFKSA-N 434.497 0.504 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829228318 RNOPIIGZRLZBDT-VGOFRKELSA-N 426.473 0.206 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1829763793 BBTHBHBBMGNJQN-ICTHTSFCSA-N 446.479 0.458 30 20 ICED COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830227490 OUKONOMDGWOLDJ-QFIPXVFZSA-N 429.473 0.834 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831184914 IYNIXJDLUBFZKI-WZONZLPQSA-N 449.548 0.056 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831216610 VHKZHQOIAJGCOY-QHCPKHFHSA-N 435.484 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1831402732 PZDVFOYIPXDHRU-YCRNBWNJSA-N 429.517 0.755 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cc1O 1833407299 SVVXQGKPYHOBCS-NRFANRHFSA-N 425.445 0.381 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NCCC)CC2)CC1 1833465308 WTVOKDHWTUBDOY-GOSISDBHSA-N 434.581 0.903 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc(OCF)cn3)CC2)CC1 1833990808 QAUBGQDRRQQXDL-UHFFFAOYSA-N 433.440 0.056 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1834716772 WPSXXWZXWPYFOO-UHFFFAOYSA-N 443.552 0.649 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834769554 LDOOZFGGHRSFLA-NDEDVSTASA-N 441.484 0.676 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097403 YVPABHDRMHWJOP-REWPJTCUSA-N 427.501 0.409 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1)C(F)(F)F 1837244220 PVJSTVPQQXDCJY-HJWYETAXSA-N 426.457 0.720 30 20 ICED CN(C)c1cncc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1837261825 MZHJAOWLUSMVCS-UHFFFAOYSA-N 428.489 0.848 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532754 FMFRRDJVIZOOAM-YITPPGKRSA-N 440.541 0.312 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564258 DTCHCMUCLHMAEH-IVEDSDBVSA-N 448.520 0.460 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838680882 MUGMLGGIQKGHOY-QFIPXVFZSA-N 430.505 0.487 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)o1 1838950195 NGXGIXLIEBEJSU-OAQYLSRUSA-N 425.445 0.562 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)COC1 1839186050 WYMNPWXVMCMSGQ-QFIPXVFZSA-N 431.464 0.733 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CC1 1839363762 SPDQSQUWRPYBAR-JOCHJYFZSA-N 441.484 0.776 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cnnn1 1839422244 KCLKUBXDYOBIRG-JLTOFOAXSA-N 443.439 0.015 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnccn5)C4)C3)c2c1 1839487470 KAUPFWWBNGBKGW-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1)C(F)(F)F 1839892975 IENIXJRETDVROW-YOEHRIQHSA-N 448.467 0.588 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840159063 WMPSURLFEPXORA-UGSOOPFHSA-N 427.548 0.253 30 20 ICED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840211564 GUFJAZBPIJEFQK-SPLOXXLWSA-N 427.461 0.539 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271150 CTMJQHMWWLCFRA-NTLWEQJWSA-N 425.526 0.795 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840293059 FAGUSSNLWPBVLH-QFIPXVFZSA-N 432.521 0.793 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])C2 1841054833 IPZIQUOIRWHGCB-WAYWQWQTSA-N 444.444 0.984 30 20 ICED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)cc1 1841893335 YOAXXYLQKSGCHO-UHFFFAOYSA-N 444.557 0.425 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCN3CCN(C)CC3)C2)c(C#N)c1 1842828705 OZVKDJPOKKOWDE-UHFFFAOYSA-N 439.560 0.950 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 427277300 XIHIDCDNFPDWPY-UHFFFAOYSA-N 429.458 0.692 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccs2)c1 437332214 ISHKEKFGEJCEAE-UHFFFAOYSA-N 429.545 0.921 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441159854 VLYJZJNKHKZOAA-PKOBYXMFSA-N 438.532 1.447 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 472164422 ULXAWSLNGCBZRH-UHFFFAOYSA-N 445.549 0.625 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 481388966 ZDKGIRBEOHZQDH-UHFFFAOYSA-N 428.536 0.422 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 483166191 KRKJCCKXCAFAHG-UHFFFAOYSA-N 433.428 0.158 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1F 489814156 OKOLOXREPQCION-UHFFFAOYSA-N 444.432 0.837 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 491035269 LUYMPMFOMYILCO-UHFFFAOYSA-N 441.532 0.744 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N 498235224 AGEIUZKAIRWOSW-INIZCTEOSA-N 436.559 0.977 30 20 ICED CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502063079 KLUXOSWZNQGLAT-UHFFFAOYSA-N 449.536 0.557 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1CCC#N 504062428 WIWJTEAMKUUXCD-IBGZPJMESA-N 449.515 0.993 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)C 505698941 FCKACUYXBSHAAG-UHFFFAOYSA-N 431.562 0.654 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCN(CC#N)CC2)CC1 508061277 WQJOKDAVYZECKT-UHFFFAOYSA-N 435.506 0.972 30 20 ICED COC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 513294151 NSPJZPPLWOTXSN-LBPRGKRZSA-N 426.408 0.950 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)CC2)o1 513676715 JLQYXUHLHKSRRM-MWTRTKDXSA-N 445.483 0.849 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 518230137 OOHJDUKMGCMULE-UHFFFAOYSA-N 443.481 0.943 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)C1=O 522720630 CHYRYRKJSBXFAQ-UHFFFAOYSA-N 444.473 0.419 30 20 ICED COc1ccnc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 533424559 FLVLEDIXNIFMBB-UHFFFAOYSA-N 425.493 0.729 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543002418 BCZUVHUOLVQVCU-CYBMUJFWSA-N 436.881 0.486 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccsc1 549548505 AYGHRRWVSVWFMA-UHFFFAOYSA-N 429.527 0.443 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 552589603 YKBRORIWPHZRSE-WIYYLYMNSA-N 428.533 0.939 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 552884572 DMEOFBSBKHJOTA-VQIMIIECSA-N 427.505 0.254 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)NCC(=O)N2CCOCC2)n(-c2ccc(C#N)cc2)n1 560192967 ZDECCFGSLDFNRA-UHFFFAOYSA-N 438.488 0.955 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604269895 HSYLRYCTGSSMKK-UHFFFAOYSA-N 426.542 0.582 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 608923276 MBHIDPPXSQSSSY-UHFFFAOYSA-N 438.529 0.106 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)c(F)c1 609461986 UUESKXDEOHXKFF-IKGGRYGDSA-N 448.520 0.818 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 615255409 HTKVOEPTFYZREK-UHFFFAOYSA-N 438.506 0.343 30 20 ICED COCCN1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 729070982 WEJWCFSKLNACMC-RDJZCZTQSA-N 439.472 0.627 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCC(=O)OC 730030522 PHIACTJIHUVOKP-NRFANRHFSA-N 429.429 0.374 30 20 ICED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732441698 OGBRZZLVYSVLMP-ONZPZFSWSA-N 426.477 0.067 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 732495348 XKBSOUFKJBVPHQ-FPOVZHCZSA-N 448.479 0.971 30 20 ICED C[C@@H](CC(=O)OCC(=O)NCCCn1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 745495155 CPPFGXHYQYZIEL-AWEZNQCLSA-N 433.490 0.450 30 20 ICED CC1CCC(NC(=O)CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 746213278 PDJUIJOAUCNINN-QURGRASLSA-N 431.537 0.742 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CCOC 746596995 DAOSBPNNRZAXOB-UHFFFAOYSA-N 441.509 0.958 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)ccc1F 746614585 AHZYVLLYBKSYTI-CQSZACIVSA-N 427.498 0.999 30 20 ICED CS(=O)(=O)CCOc1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 751146002 GAFFPEUAHMSEIQ-UHFFFAOYSA-N 437.499 0.787 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 753716032 XQENSJQAPYYJOM-CYBMUJFWSA-N 428.536 0.046 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C#N)C1 754388385 HXTPAKFFTKQQTR-DLBZAZTESA-N 435.525 0.139 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754981421 XRMQAADPRATQQT-UHFFFAOYSA-N 441.579 0.837 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)ccc1F 757139585 JCWOMLCYSVWZDD-DZGCQCFKSA-N 433.527 0.738 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 761026470 ZJBKPSYRASWBFB-MRXNPFEDSA-N 435.575 0.962 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@@H]3CCOC3)CC2)cc1 762153756 XRMAPPMXZNOALH-OAHLLOKOSA-N 441.531 0.441 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(CCN2CCCC2)c1 770024754 UXQJZFWWCNQYJP-VXPUYCOJSA-N 425.489 0.906 30 20 ICED C=CCCO[C@@H](C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773649102 GDXHZJWGVZTUHR-AWEZNQCLSA-N 434.536 0.888 30 20 ICED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 773942215 BCVPNNXCJQLHGT-LSDHHAIUSA-N 435.502 0.679 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 775792667 HXVCJXATKYUOMX-IRXDYDNUSA-N 427.473 0.568 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 777137041 FWYYFXTXJGGRMZ-UHFFFAOYSA-N 436.553 0.686 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C1CC1 782336172 OLIOOUMDNCQRFQ-ALKREAHSSA-N 439.465 0.301 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 785264186 NFAWTMCTVBNJEB-HNNXBMFYSA-N 445.505 0.394 30 20 ICED CS(=O)(=O)N1CCC[C@H](COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786484704 IXQNBVKJFHYSLD-DOTOQJQBSA-N 448.501 0.978 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)c1 791983962 TUOIHPJFSKYGRU-BBWFWOEESA-N 432.502 0.501 30 20 ICED C=CCOC[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 796456874 WMDLBXWAYPBLAM-INIZCTEOSA-N 435.502 0.708 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O 796491598 QIESJVRVEIEELJ-MRXNPFEDSA-N 445.586 0.608 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCO1 804105414 RGDSSMOYGGNXNE-CVEARBPZSA-N 436.306 0.982 30 20 ICED 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C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832531474 SJIGDEVYURELST-HRAATJIYSA-N 437.562 0.906 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncc(C)c3)CCO2)C1 1832952524 GGNRFRDRMIIZOU-XXBNENTESA-N 429.517 0.817 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(=O)NC)C3)C2)c(O)n1 1833696280 YVUPUQXGLPJCEV-QFIPXVFZSA-N 446.504 0.112 30 20 ICED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C(O)O)CC3)CC2)c(O)n1 1834026272 BWHVJUQAWXAHCH-UHFFFAOYSA-N 432.521 0.402 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cn1 1834167316 SRPMORCOQBRDER-HSZRJFAPSA-N 437.500 0.995 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(O)n2)CCO3)cc1 1834187290 XGAVPJMIBFSGOD-HSZRJFAPSA-N 436.468 0.972 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765212 AXYPYSSBANRPRZ-YCRPNKLZSA-N 432.452 0.314 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835026134 JHOGFVJSWDYOOI-JPYJTQIMSA-N 430.501 0.732 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345815 DSJUVUSSDKZTPD-IFNMQTAJSA-N 442.472 0.517 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768026 IUESJGBTKGIZOF-JTMQTMBGSA-N 437.541 0.222 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2)c1cccs1 1835854159 XCDMTVWOIUZWID-YADGQWAMSA-N 446.485 0.686 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835910536 VIUCXNAYLWTVBW-XSKGNTKESA-N 435.546 0.941 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1837403613 WOFWNBZOENSMBS-JTSKRJEESA-N 433.505 0.237 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441092 RAUASNTXUUFGPM-HLQTZPMBSA-N 430.509 0.327 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1837447537 QKDZANJOWRUFKW-TUZONTTDSA-N 430.908 0.839 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837524812 OBYNCIANRDGJMP-VIZCCBKPSA-N 447.492 0.005 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790324 RAXNDLGWYQDLLJ-IBGZPJMESA-N 449.504 0.784 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(F)(F)F 1838732683 ZFDYBQHJYKYLKC-IAGOWNOFSA-N 430.383 0.270 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756084 SUAATNCPWGWRHQ-IIBYNOLFSA-N 433.509 0.141 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)cc1 1838953171 REKYRYJIPFMWAY-HSZRJFAPSA-N 436.468 0.972 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185908 PURSVYGSMKEBQH-UNMCSNQZSA-N 433.480 0.713 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccon5)C4)C3)c2c1 1839487468 JYSLTPOZZWHQBP-NRFANRHFSA-N 436.428 0.806 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4cc(C)ccn34)CCO2)C1 1839600565 IRXITLKJVPUIHR-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1839784552 PPKSWKGDIRXEIG-WMLDXEAASA-N 436.477 0.231 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840455641 RXRNJIBMJQDMKA-VGSWGCGISA-N 428.489 0.999 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cnnn1 1840478810 BYIJZQUNUZSJOH-VBKZILBWSA-N 443.439 0.015 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C(F)(F)F 1840855703 QTQOZXDJGQNXOK-YJBOKZPZSA-N 435.443 0.866 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@H](F)C1 1841518905 JPUGPDGYHFRMPQ-HUUCEWRRSA-N 437.468 0.873 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302128 CMLMNELWZVKCQB-GJSZRHCTSA-N 440.497 0.562 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)CC2=O)c1 1846194535 NTWBDFHSSNNJGF-HNNXBMFYSA-N 425.441 0.340 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)cc1 1847307448 UOYRZDFDQCOOEM-OALUTQOASA-N 430.530 0.033 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN(C)C(C)=O 1848022301 YWBFLXZUTCHFSB-SQNIBIBYSA-N 434.537 0.973 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 10850506 RASROLYSWGEQPP-UHFFFAOYSA-N 431.474 0.325 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 46898564 UGABWHCVGRAAKX-UHFFFAOYSA-N 444.488 0.889 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C2OCCO2)CC1 110535376 MVYRNPNACGUUOC-GOSISDBHSA-N 448.545 0.619 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409502042 OJRRBLIAEAJFDR-AWEZNQCLSA-N 449.407 0.646 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 410161535 AQBGUMLNNDTUAS-UHFFFAOYSA-N 429.587 0.406 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C2)nc1 428776932 CRNIQZBZFIEARC-GUDVDZBRSA-N 448.545 0.601 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 428803240 LDDALUNCJUIXHW-MOPGFXCFSA-N 437.541 0.500 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1C 430257643 AJEFOGOZLCWEBT-QGZVFWFLSA-N 446.533 1.273 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1Cl 435786114 FYHGNCHJXNUNMI-UHFFFAOYSA-N 446.960 0.360 30 20 ICED Cc1nc(=NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)n(-c2ccc(C#N)cc2)[nH]1 443414781 JFVPLSUNQYYJNA-UHFFFAOYSA-N 437.441 0.951 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccnc1-n1cccn1 460611735 LJDBDKKMFSQXTQ-UHFFFAOYSA-N 427.428 1.283 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NC(C)C)C1 460951633 LSLLOSKCYBJVHX-KBPBESRZSA-N 434.588 0.371 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 469523215 FRUPITFFXFGITE-GOSISDBHSA-N 435.550 0.057 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 470964783 BQIFXINUFQWYFI-SFHVURJKSA-N 431.518 0.398 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 472668014 MGVDWRAZXBVKPX-WBAXXEDZSA-N 448.524 0.687 30 20 ICED Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 489220581 SLHOUSGOIRNCEP-MRXNPFEDSA-N 446.467 0.343 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 500203890 AQZILMCVOLKQBM-QZTJIDSGSA-N 441.532 0.716 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(OC)cc(OC)c2)c1=O 502491147 XUBSJYNHSWYJHV-UHFFFAOYSA-N 428.510 0.818 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2cccnc2)c1=O 505637072 MKDBKODSQQBHHX-UHFFFAOYSA-N 434.525 0.371 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508819520 ZCXGYCIWMSDYTF-UHFFFAOYSA-N 437.464 0.238 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511896749 OSPDBUVJRSRNJI-UHFFFAOYSA-N 429.886 0.004 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@]12C(=O)Nc1ccccc12 513667036 QKWUKVWVABDRIO-ZUOKHONESA-N 425.470 0.618 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 518514970 GXHZQBNLUICBNL-NRFANRHFSA-N 429.521 0.706 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC)c1=O 523743720 GZENQQPNDHIAMD-HNNXBMFYSA-N 445.541 0.609 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)n2)cc1 532431068 DBXQGUZTRDNKSQ-MOPGFXCFSA-N 437.504 0.896 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 542504737 VLUVFWRKEIGFMB-OCCSQVGLSA-N 448.423 0.369 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)n2)c(F)c1 549790903 BCQBDXRSQJBMIW-BEFAXECRSA-N 441.463 1.505 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC)C2 551731871 IGNSWBPSQCMBIP-UHFFFAOYSA-N 428.470 0.998 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 556389935 HOKCZRCOCSYJGW-UHFFFAOYSA-N 447.455 0.292 30 20 ICED CN(CC(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557593208 PGOIELVIXQYEQF-WBVHZDCISA-N 442.563 0.403 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)CC1 561453921 YJJBKGLILWOSDZ-UHFFFAOYSA-N 447.624 0.984 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 561703823 FWRIOFFFNDTYAB-FUHWJXTLSA-N 438.488 0.232 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 562326493 GXLMLOVWRRMVCJ-KRWDZBQOSA-N 434.499 0.285 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)C1=O 575766853 HRGWKQYTEXNHDX-VQTJNVASSA-N 427.549 0.337 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 588865216 ZSALCHFMFHMWTD-WOJBJXKFSA-N 439.516 0.493 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 608918957 DCXXTIDSCVQYJY-INIZCTEOSA-N 429.506 0.489 30 20 ICED COC(=O)[C@H]1CCCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 611575528 QUSOLONBGCPBDT-GOSISDBHSA-N 448.545 0.809 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 733313858 CEXUPPOESAWHBM-UHFFFAOYSA-N 439.559 0.621 30 20 ICED COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 737304936 DMEXPOBATXGBHL-ISLYRVAYSA-N 444.444 0.842 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 737519743 MGOLAYMBNJKQMF-UHFFFAOYSA-N 444.469 0.976 30 20 ICED N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(S(=O)(=O)C2CCOCC2)CC1 742408645 OBNPWGMLHZQGJA-UHFFFAOYSA-N 428.536 0.591 30 20 ICED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746450381 HCUMXELFYKRQJW-HZHRSRAPSA-N 437.522 0.326 30 20 ICED Cc1nc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 748843224 FTFWBOQHDZKLNS-UHFFFAOYSA-N 448.526 0.942 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)c2ccncc2C1=O 766380393 VZCKMGHOEPXTTR-GFCCVEGCSA-N 428.426 0.459 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c(C(=O)OC)nccc23)CC1 766799248 HYNIFFDABOQAOC-UHFFFAOYSA-N 430.486 0.077 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 767551258 MVQPWTOEPJZTKT-UHFFFAOYSA-N 436.472 0.637 30 20 ICED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 788046422 ZJUKVEMKJABICR-FQEVSTJZSA-N 425.497 0.271 30 20 ICED COCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2c(C)cnn2C)c1=O 795187253 MNUKOOPENXNZPW-UHFFFAOYSA-N 438.509 0.993 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 799272206 CGHZFNVCOVDKSN-MRXNPFEDSA-N 437.518 0.819 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811106009 ONTLNXWIQJSEQG-UHFFFAOYSA-N 426.495 0.182 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)no1 918319415 XKXYOUJJDJLCGX-UHFFFAOYSA-N 426.433 0.607 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919648284 VVQGHIRRULQUEH-HNNXBMFYSA-N 449.485 0.929 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1286969657 QSLLYHNCWUQASN-NCOADZHNSA-N 440.570 0.758 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2=O)cc1 1327866073 IURJIRYLLWDJGA-GOEBONIOSA-N 429.458 0.574 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508425633 RIQQAKQVQQYKNT-CVEARBPZSA-N 425.559 0.303 30 20 ICED CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C1CCCC1 1556978381 UYXLKVXTFWSVTN-PKOBYXMFSA-N 447.561 0.982 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1612493123 LBOOLWULWVKIMD-QZTJIDSGSA-N 437.501 0.131 30 20 ICED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1695798748 UIENIMCFBKJANB-UHFFFAOYSA-N 435.492 0.771 30 20 ICED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1696343569 VZWXCORVFAGXMD-MRXNPFEDSA-N 434.522 0.842 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1708326819 GEXQTIGYPMIRFO-LPHOPBHVSA-N 440.570 0.902 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1712455233 YTVYOXOBPLVHCE-MRXNPFEDSA-N 442.611 0.595 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1729743371 WDEGRNSABBAZGQ-MRXNPFEDSA-N 447.565 0.523 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760374152 JCNNQBRHJNQTJB-QWHCGFSZSA-N 446.917 0.004 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779016428 UTVFXVWHEFAUPV-GWJWUGQSSA-N 433.469 0.093 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1781800850 BPHDJTYVXVWDPW-GPMSIDNRSA-N 431.480 0.362 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781852774 HZFLCJRYDCMHFE-KSMMKXTCSA-N 431.555 0.614 30 20 ICED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2nccn12 1782352769 KACXCKUMWHBXIG-YQNSVDCASA-N 439.520 0.953 30 20 ICED CCN(CC)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783564733 FDXVKTZICRUKGY-GGAORHGYSA-N 427.501 0.987 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)c1=O 1784733018 RCFLFNNWIRLLSI-IHPCNDPISA-N 441.528 0.677 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccnnc4O)C[C@@H]32)c1 1789259207 RZNWOUPOKQYHCN-JVPBZIDWSA-N 437.456 0.970 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1789894911 TTZWFVVVUFNYMY-SNRMKQJTSA-N 431.489 0.819 30 20 ICED C/C(=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)C(=O)O 1792169986 JNWUZBPMODFTAR-GVJQAJTESA-N 427.457 0.948 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)C2 1792489272 MQYSLLAZHYMPML-LXBXGBMDSA-N 437.447 0.419 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1792964247 RIVKQWTUINKUFH-MDMSPXHWSA-N 434.537 0.447 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1793358450 GBCFSTIFRZRUAV-ZJOBFFGXSA-N 432.502 0.550 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793822206 IBDPTRIYTXEQRS-AFIMGQEJSA-N 433.534 0.104 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1cccn2c(O)nnc12 1796286479 DABCIWUHFGEMIL-XEMDLRDOSA-N 431.452 0.690 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796334730 NFNWWGBLDYTHGA-LORHWOILSA-N 445.520 0.458 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1797744208 XOLUGIPNJSAJDJ-GZZBUKFJSA-N 448.564 0.981 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC)nn1)C2 1799304421 OWRKCISLOLETRM-CCWDJLKJSA-N 432.477 0.588 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cccnc1)C2 1799304976 LMYKSGTWLXRHKG-PDOICOKGSA-N 430.505 0.981 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(F)c(F)ccc3c1)C2 1800779661 RZASUAARFLRQBV-HBCWATKFSA-N 429.379 0.804 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804089107 FGQBPCSRYBZNJQ-JTDSTZFVSA-N 443.504 0.212 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)C1 1804858012 GDHDUMZUWQKVMU-JTGQJZMRSA-N 437.562 0.653 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CC1 1806847221 LMTTVEGAURRQQQ-WMLDXEAASA-N 432.444 0.436 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807148730 XRORGXFUTSXCRT-XWSJACJDSA-N 428.537 0.092 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807853928 YAFPJZUKAYWEIU-PSBKLILYSA-N 441.576 0.762 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H](N)CN)[C@H]3c3cccnc3)c2c1 1812070807 VVGMOHINVDLRNJ-SYNHAJSKSA-N 432.488 0.435 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc(OCF)cn2)[C@H]1c1cccnc1 1812874190 IDEANSRLHXJXSW-KUHUBIRLSA-N 427.392 0.585 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815599775 PVLPPWOTQHVMDW-OCCSQVGLSA-N 433.469 0.755 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC#N)CC2 1826647095 DSKGUQIUMBQMHP-IUODEOHRSA-N 429.506 0.829 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828524693 DKNFPDXEPBUMJH-UZUQRXQVSA-N 445.516 0.961 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829758110 VLTVMRUIPGZVCI-SMZVVKKCSA-N 448.505 0.362 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907406 KIOGOMRSFCRVLW-DENIHFKCSA-N 447.557 0.671 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C1CC1 1830065845 JIBCDCXDGYTCOI-OAQYLSRUSA-N 436.509 0.756 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655302 LROWZQNLEWDPGB-JOCHJYFZSA-N 425.489 0.883 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1831398856 MAZKVHQGRYHTKI-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1832461011 NYFORRGWRJSSQD-HXUWFJFHSA-N 431.518 0.947 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832493103 STXIFEJRHSFZQZ-XMSQKQJNSA-N 429.473 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(C)cn3)CC2)CC1 1833073862 LLWHAYLCGHTCDZ-PLNGDYQASA-N 440.548 0.829 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n(C)n1 1833442491 LWLHRJLUQHYUQW-HSZRJFAPSA-N 438.484 0.550 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1833468511 UALTZQSYILMJFQ-QGZVFWFLSA-N 441.532 0.630 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CCC)NC(C)=O)CC2)CC1 1833468608 MFBRSFAXDLXIMQ-DYESRHJHSA-N 434.581 0.901 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833492478 XILNMSIUNABUCW-FQEVSTJZSA-N 435.594 0.769 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cnn1C 1834418307 DLAKDRPFJDZURW-QHCPKHFHSA-N 437.500 0.913 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3Cc4ccccc4CN3)CC2)CC1 1835060029 SAXXFVCCVSZKBI-NRFANRHFSA-N 438.528 0.361 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1835356840 PIWKGWGLCHDFJP-HSZRJFAPSA-N 440.500 0.793 30 20 ICED Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c2c1CCC2 1835398462 RLTJZGOAEITXLI-UHFFFAOYSA-N 427.505 0.182 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1 1837307881 DMRCIOBGMZISKQ-UHFFFAOYSA-N 434.424 0.483 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837307975 KIGGWYRDKNHGSD-KSFYIVLOSA-N 443.504 0.414 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1837399661 YTXLGRPIESIDFD-QUVRYOLLSA-N 435.565 0.356 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524999 RFEDOLSXTNUFJF-VJIOCRDPSA-N 446.504 0.989 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cncn1 1837567247 AAMXDNLMXKSUGX-ZSTKKLLYSA-N 430.465 0.008 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)c1 1838738897 DTCUIQSKEPPHSH-QFIPXVFZSA-N 440.456 0.984 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420096 MWYMQPJKLXWCQQ-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1ccnn1 1839421859 PBPYOAANRWIXDT-BTYIYWSLSA-N 442.451 0.620 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1839808253 WCWFVRAUTLZXBB-SFHVURJKSA-N 448.277 0.195 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839858884 WTIPPXYTBWARTE-SGSXCFNPSA-N 435.502 0.080 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839889546 ZSRJUXIRTBYIIM-IBGZPJMESA-N 438.431 0.688 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039842 BBWLYOFJJFCPJZ-URZJWIJPSA-N 433.505 0.476 30 20 ICED Cc1cc2[nH]c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2s1 1840044605 NZEAWSRKLGNBAH-HXUWFJFHSA-N 431.470 0.696 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(c5ccccc5)(C3)C4)C2)C1 1840044861 BNHRBGJSFIPRGO-VHYCJAOWSA-N 438.480 0.653 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1840165192 PSKHMGROYHADMU-CKJXQJPGSA-N 435.546 0.580 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840174120 JGWIMZQOANNOBG-HXUWFJFHSA-N 433.417 0.970 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840362833 CNTVNEJVTRZDHX-BVZALQNUSA-N 446.548 0.544 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840482866 DQYFAMZRZDUFRL-VGOFRKELSA-N 433.505 0.237 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566530 BMAZTZLGICEFGJ-OAQYLSRUSA-N 425.526 0.292 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840789481 KRSUDTVRCDAOCT-QVKFZJNVSA-N 435.546 0.777 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814265 YFTRCZQAKQBKCK-JOCHJYFZSA-N 438.488 0.802 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)NC(=O)OCC)C3)c(O)n1 1842297567 RCSQPQFBSDDSBX-QGZVFWFLSA-N 432.477 0.787 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)ccc1Br 1845458288 NKVTXZDYCYRVLK-OAHLLOKOSA-N 448.321 0.731 30 20 ICED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1845760443 WEKAWJIYMNQGOH-UHFFFAOYSA-N 425.518 0.736 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409498715 IVWAVVNKIRWNMX-LBPRGKRZSA-N 426.394 0.538 30 20 ICED CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)N(CCC#N)CCOC 409521727 NHNYHLAAIIQEEC-UHFFFAOYSA-N 426.495 0.825 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](O)Cc3ccccc32)CC1 434678692 JQRIAFUOWLSWLN-IBGZPJMESA-N 440.525 0.815 30 20 ICED C[C@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 438877462 USJDOIWNZQJHGQ-OAHLLOKOSA-N 449.533 0.665 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460394001 LIPGDLSTXCOXPR-GJZGRUSLSA-N 445.553 0.841 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccccc1N1CCOCC1 460700440 RPORALXHFFZBMV-UHFFFAOYSA-N 445.483 1.539 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 461320288 SAOLCLCPJSRMQL-UHFFFAOYSA-N 440.431 0.955 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 468863226 HBOSPUFASQLWDU-UHFFFAOYSA-N 436.534 0.762 30 20 ICED CCCN(C(=O)[C@@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCS(=O)(=O)C1 472153134 IRXKCFMVONSRQB-SJORKVTESA-N 436.582 0.536 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 477166929 MWQVLCLVTZZSOJ-OAHLLOKOSA-N 446.475 0.617 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccsc2)c1=O 479376467 HTALLOAIJOAZEB-UHFFFAOYSA-N 441.538 0.539 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 484640739 HVRBHMBDSXNWDP-UHFFFAOYSA-N 443.550 0.795 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 506710073 IIGIJGALFIOGMD-IUODEOHRSA-N 448.480 0.656 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)n1 508345446 VCGWTDDXWGJEJY-UHFFFAOYSA-N 430.226 0.248 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)n2)c(Cl)c1 508365192 APQVDQIAUXDJQB-SWLSCSKDSA-N 433.877 0.981 30 20 ICED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508798906 YHKDNEFSTNTNSY-CYBMUJFWSA-N 436.494 0.171 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508829726 VDDOXAVACZZNPO-HNNXBMFYSA-N 428.559 0.479 30 20 ICED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 509956385 ZGQMVEBYNOFXAO-CYBMUJFWSA-N 447.439 0.903 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1C 524281214 MGHZQKPEOUVOKE-UHFFFAOYSA-N 448.504 0.854 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 540347177 WVRJAPBUAKWSQS-MOPGFXCFSA-N 447.584 0.977 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C1CC1 542010624 AVFMVXYMDGYXJS-UHFFFAOYSA-N 439.493 0.602 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)nn1 545500143 LQIQYDUBIUOZGI-CQSZACIVSA-N 432.462 0.262 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 549665300 IXVFVKGBJBICKO-INIZCTEOSA-N 442.586 0.869 30 20 ICED CN(C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 551410039 RIGPPGCBTSXYIY-GFCCVEGCSA-N 434.396 0.888 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c1C#N 555681902 GWIBCHAVJVSBQI-INIZCTEOSA-N 429.550 0.729 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1cccc(C)c1 564059349 IUFDAEPMFCUMJI-UHFFFAOYSA-N 437.525 0.690 30 20 ICED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)NCCN(C)C 568939569 RGPYVTKFDUYBJR-INIZCTEOSA-N 440.508 0.286 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 569371205 OESUFEWUTSYNFD-MOPGFXCFSA-N 430.553 0.592 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 574265686 PLQUTJLIEPUYGT-UHFFFAOYSA-N 436.515 0.683 30 20 ICED Cc1c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nnn1Cc1ccccc1F 578530264 YMUAOXJLZMYQBB-UHFFFAOYSA-N 443.483 0.787 30 20 ICED Cc1cc(NC(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 579695008 QCOITIDNJIPKCT-UHFFFAOYSA-N 431.474 1.010 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1ccccc1 588762522 PMPSIURJZKHWNY-LPHOPBHVSA-N 432.484 0.912 30 20 ICED CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 588869157 DJITVZMTGMTGBM-XJKSGUPXSA-N 440.460 0.524 30 20 ICED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 619544373 SCXFWZDLRXZMSG-DZGCQCFKSA-N 442.490 0.375 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNc2ncccc2C#N)C1 728210387 ZDNOIIZXLLRTTH-MRXNPFEDSA-N 431.522 0.922 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 728534707 UEDWIQRKGLTUSQ-UHFFFAOYSA-N 446.573 0.759 30 20 ICED Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)c1 732154885 ZBBCBBMBUABROJ-CZIZESTLSA-N 434.518 0.923 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732796252 BCIHMCFBHPZFJC-UHFFFAOYSA-N 429.546 0.849 30 20 ICED CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 739134785 CCGMMWGUKHTAJQ-ISPGYRLHSA-N 442.563 0.668 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCN(c2ccccc2)CC1 744089003 JQSPQDRQDIVQFO-UHFFFAOYSA-N 441.513 0.190 30 20 ICED C[C@@H](CC(=O)OCc1nc(O)c2cnn(C)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 745495713 IETUHEITXDGCHK-JTQLQIEISA-N 430.446 0.629 30 20 ICED Cc1cnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 747900269 JTAYVMQRORIEMQ-UHFFFAOYSA-N 429.458 0.347 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756451196 GAEKVMKMFLAKLJ-CYBMUJFWSA-N 426.520 0.906 30 20 ICED COC(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(S(C)(=O)=O)c1 758644779 RJCUZUKBGZLUPP-NXVVXOECSA-N 436.446 0.525 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 761040099 YDLICVTULVHJSS-UHFFFAOYSA-N 426.408 0.509 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 761756990 DYTUAJXBAICMKL-HXUWFJFHSA-N 427.549 0.990 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ncn(C)n2)cn1 768416116 DNPVKLLRPZCYBH-ZDUSSCGKSA-N 440.493 0.982 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)C#Cc2ccccc2)CC1 773464807 JNBSIWPXDIPBEW-UHFFFAOYSA-N 431.470 0.719 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCN2CCNC(=O)C2)C1=O 781104134 LYCCTUNWCFENHO-AWEZNQCLSA-N 425.461 0.464 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 783462914 VHQMIXKYEYBSOA-UHFFFAOYSA-N 440.481 0.802 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCc1cc(Br)cc(C#N)c1)c(=O)n2C 790859576 ZEAWGUDNUJFPQE-UHFFFAOYSA-N 432.234 0.811 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 796455792 NYAHYKKJESFRCG-LBPRGKRZSA-N 425.488 0.772 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 807902862 LUFVOOSSLPHAHZ-OAHLLOKOSA-N 439.559 0.532 30 20 ICED C#CCNc1nc(NC[C@@H]2CCCN(C(N)=O)C2)nc(NC[C@H]2CCCN(C(N)=O)C2)n1 808083033 OYYPIOFKQATWKO-GASCZTMLSA-N 444.544 0.322 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)cc1Br 809124175 XLISWKNFXVYZCL-UHFFFAOYSA-N 447.242 0.597 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1=O 1301891560 QDRUAALUDBPJJF-UHFFFAOYSA-N 447.446 0.493 30 20 ICED COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ccc(O)cc1 1306868868 LPUYNCDGBYHSIB-RBUKOAKNSA-N 443.481 0.957 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1345147271 QZGFVIOCUNIKFI-OAHLLOKOSA-N 437.522 0.223 30 20 ICED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1470687166 OJDRYWZUXMGYMK-MRXNPFEDSA-N 428.518 0.972 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1503415924 QATAWCQEWIZDOW-RDJZCZTQSA-N 449.558 0.875 30 20 ICED N#Cc1cn(CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(=O)nc1O 1557602816 SHJUSJXIJICZSK-LBPRGKRZSA-N 432.234 0.825 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1651623086 WCXSLOCVSYSGHF-UHFFFAOYSA-N 439.881 0.118 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1749246349 ZQGFBDYQPIWBTL-UHFFFAOYSA-N 439.520 0.980 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778845607 ANSVRCATMLNZLF-SLYNCCJLSA-N 426.627 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1778973373 JDWWCJFAXDOLJA-KKSFZXQISA-N 448.476 0.160 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101287 MEJLFVWNFGGEOB-UMQMUVBQSA-N 435.481 0.401 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1779267555 FZNQWBTUMTYAKA-JTSKRJEESA-N 431.489 0.749 30 20 ICED CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1780427199 RZMMRVZSIJFUOE-VQHJOYQZSA-N 447.492 0.848 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114125 HAYHLFQBCKFRGC-PNLZDCPESA-N 435.521 0.458 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1781395435 ALIQLXISGWVBKL-VGOFRKELSA-N 447.536 0.918 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781759600 WCUDZFAXLTZJGB-JOCHJYFZSA-N 427.505 0.511 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)O)C1 1781995720 VCOPJERWXXEUCM-NRVIRDBHSA-N 437.537 0.798 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605377 MPEQAJOJWPIBOV-FHWLQOOXSA-N 443.573 0.564 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844627 RRFKNUZBODDRRL-PQENSZJKSA-N 449.573 0.464 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1783901132 URAFBAXUKSHXMF-SZNDQCEHSA-N 429.498 0.878 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503726 OVICVQPTUWHPBU-MKEIEPSASA-N 430.457 0.685 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NC=O)C[C@@H]32)c(O)n1 1785774325 XMRDCNDBOHWEME-PDWMJMLSSA-N 430.505 0.634 30 20 ICED CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)C(C)C 1786859198 VSYZQFKZLCYZTR-VJANTYMQSA-N 436.553 0.836 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787374606 NEQNNCLSHSIYTF-RVKHQLRBSA-N 438.488 0.181 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1787512418 KQUADBKAIXVRHF-FBAXNIALSA-N 431.514 0.745 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)[C@H]2C1 1788510260 DSRTUQXZXUDGSU-RABCQHRBSA-N 433.549 0.816 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813475 RQWVEIFTILMWAI-RYACJGIASA-N 430.421 0.623 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncnn4C)C[C@@H]32)c(C#N)c1 1789840028 IJXRYHHREUURGW-SNRMKQJTSA-N 438.488 0.531 30 20 ICED COc1ccc2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)ccc2c1 1791076974 VCGWLVXBTPURTM-KNBMTAEXSA-N 437.452 0.925 30 20 ICED COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1792717975 SMIOCHCRFAZIGF-UEFYPOGQSA-N 444.532 0.790 30 20 ICED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1794569425 UGBQQRHBYWRUNN-GNXNZQSNSA-N 449.393 0.618 30 20 ICED 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VLKORFBCAYNXDV-GOSISDBHSA-N 435.488 0.998 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC)cc1 503300263 FNEHZFZLNUVXOU-CQSZACIVSA-N 445.563 0.713 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505683229 IYJAVHGGFFMNBU-HNNXBMFYSA-N 437.525 0.595 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C)c2=O)cc1OC 507083766 ABABTKHLDAFLLE-UHFFFAOYSA-N 447.513 0.128 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507464922 OXAGXHVQAGLSNL-APWZRJJASA-N 427.505 0.349 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 509446215 HBGDMLJPHDMVLZ-GFCCVEGCSA-N 444.564 0.476 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 520647286 OAYBUIQFTYAMBH-OALUTQOASA-N 426.521 0.096 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2C)c1=O 523743282 MZECDGCNTQQIBF-CQSZACIVSA-N 435.571 0.970 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 531884298 HAAMVFUVNXZJEP-UHFFFAOYSA-N 428.514 0.012 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 537309958 BOLKBCYHXFQRMS-CYBMUJFWSA-N 433.450 0.461 30 20 ICED C=CCNC(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 537499471 ATMYKTVGIPLXAA-SFHVURJKSA-N 425.507 0.569 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1=O 540496156 IJYMRIADMMNJFN-UHFFFAOYSA-N 425.489 0.645 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)c2ccccc2)CC1 542881050 LEGOPWMHALXUIB-IBGZPJMESA-N 428.514 0.714 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552580726 ADEKRYRUDDCKKF-YLJYHZDGSA-N 429.521 0.334 30 20 ICED CN(CC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 557611882 SXXBTAQYPSOHDR-IFXJQAMLSA-N 433.490 0.158 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 569395567 BHAYJUBETOTSNZ-UHFFFAOYSA-N 430.461 0.960 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 575788753 QJJQWXYBLCFXQV-IJEWVQPXSA-N 425.507 0.476 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 578169189 RQQBGOJXCDIOQH-SFTDATJTSA-N 425.533 0.701 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 582292595 DBBBVLZOQBVRRY-ZDUSSCGKSA-N 430.412 0.878 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 588866214 HPPYUBDKOMJZSX-GOSISDBHSA-N 433.472 0.309 30 20 ICED Cn1nccc1[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588871283 SCCKXBHUIJPIBJ-RBUKOAKNSA-N 434.500 0.915 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 588947762 KAXNMTLAQOKGOI-INIZCTEOSA-N 448.321 0.775 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C 604270199 SPQBDDMNZCNLKE-UHFFFAOYSA-N 426.542 0.726 30 20 ICED COCCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 610485667 WLIYSNVCLWNFJW-UHFFFAOYSA-N 436.534 0.688 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 728531843 SMVYLRMROIKNGW-NRFANRHFSA-N 437.544 0.745 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 729672787 IHLZSGSUZYHPBF-UHFFFAOYSA-N 448.482 0.288 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CN1CCN(C)CC1 730227392 DFXQSGNICJAPSQ-AEFFLSMTSA-N 435.594 0.892 30 20 ICED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 732797236 NYCKZHDZFXBRKP-UHFFFAOYSA-N 441.538 0.928 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1Cl 742143228 HBXYUBCZWYHDKU-UHFFFAOYSA-N 438.918 0.148 30 20 ICED CCN(CCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 742565683 FBHBUHLMSGYWOE-CYBMUJFWSA-N 430.552 0.292 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCS(=O)(=O)CC1 746588872 LMPCMZJDZUJTQW-OAHLLOKOSA-N 427.548 0.833 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 751444916 IJOFTLHSKIFVTM-QGZVFWFLSA-N 441.575 0.179 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757896723 HCEYDAQQSKICLT-ZDUSSCGKSA-N 444.535 0.728 30 20 ICED NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 757968620 YDPJHDGPWQNONI-UHFFFAOYSA-N 443.485 0.299 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(CCOC)c2)c1=O 758050511 PMONVUJBFYNBDR-UHFFFAOYSA-N 433.493 0.528 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758077808 SWYXGNPVHKGHJL-UHFFFAOYSA-N 440.481 0.879 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 766987998 GMAXLZLWDBIETO-BLVKFPJESA-N 434.474 0.872 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc[nH]n1 772207657 WZMBJEXTNFBHCI-GFCCVEGCSA-N 437.478 0.479 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 772535734 SOSQYBADIQIION-UHFFFAOYSA-N 434.424 0.584 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2nc(O)cc(CC)n2)c1)[C@H]1CCS(=O)(=O)C1 783479600 FELJFQOGYOEYFR-KRWDZBQOSA-N 442.497 0.999 30 20 ICED C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)NC1(C#N)CCC1 787581198 HKKFDQPLQKGCQY-CYBMUJFWSA-N 438.506 0.449 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794582674 XTSIDPVYEDVFKZ-UHFFFAOYSA-N 449.536 0.832 30 20 ICED O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780704 FBKNDEBITCZECL-WTIYMYMHSA-N 435.481 0.592 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 809591119 ASLCVGLLCAQFMN-XMMPIXPASA-N 441.576 0.461 30 20 ICED C#CCCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 810782919 WZAAYDYCJGRQOW-CYBMUJFWSA-N 426.472 0.093 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 838168745 MIVJULFISBWIRW-UHFFFAOYSA-N 443.525 0.603 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 914819400 PYSFFDHBSNOWCO-HOCLYGCPSA-N 447.517 0.728 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917763509 QILRAPOFKPSBCQ-UHFFFAOYSA-N 427.530 0.409 30 20 ICED Cn1c(C=Nn2c(S)nnc2[C@@H]2COc3ccccc3O2)nc2c1c(O)nc(=O)n2C 920366386 QTCCTSBCPVKOQF-NSHDSACASA-N 440.445 0.648 30 20 ICED COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1143616534 XPILYYDOMHXHNF-OAHLLOKOSA-N 429.458 0.759 30 20 ICED CC(C)(C)OC(=O)N1CC(O)(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248375958 QRNXKIHZNVIARA-QGZVFWFLSA-N 443.504 0.940 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1515993833 JHWXAOFGEHEZPV-UHFFFAOYSA-N 433.520 0.857 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1544748549 UFSLRYPCXZRQQV-MDOVXXIYSA-N 431.518 0.980 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1555990734 LIMZMOBRRJULEW-MRXNPFEDSA-N 449.558 0.732 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1608474083 MPZFLVHVBGTONL-HNAYVOBHSA-N 437.570 0.828 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1611694555 PHEFKPBNGBHHGA-CJNGLKHVSA-N 444.583 0.596 30 20 ICED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1664823463 OEPUVXLBORZIKE-YUMQZZPRSA-N 436.259 0.804 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCn2cc(CO)nn2)c1 1698485598 JFTJFYLDIXJBTG-UHFFFAOYSA-N 426.506 0.560 30 20 ICED CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1724011301 YWDXSLIZQOCSIA-HXUWFJFHSA-N 430.534 0.944 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1=O 1749863419 VLEDNZYWYYATDJ-SJORKVTESA-N 429.525 0.854 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779135822 AWRHZUQWPKAISL-FFCJBUTOSA-N 443.460 0.854 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1779315465 NGQBUTUEHBGGGI-UWJYYQICSA-N 448.907 0.806 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190142 LTWNBLIMGCCEEI-UWJYYQICSA-N 448.907 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780351475 MYSVAOKBQNTDQG-IZRJCCQOSA-N 430.509 0.335 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780354562 QPAIGDHGLWKJDJ-NRFANRHFSA-N 433.509 0.986 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)cc1 1783601135 VARYVZGPYIPWBY-FHWLQOOXSA-N 426.473 0.533 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382024 NDWPQXCQKSYENH-UTKZUKDTSA-N 433.530 0.881 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3OCC3CC3)[C@H]2C1 1785735899 OZCKPCPZIXHSHR-SZMVWBNQSA-N 427.457 0.552 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1788658746 WXWFGLKXSMEPCT-UENFQBCKSA-N 436.509 0.118 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1789546429 NUCSWSFHIOZDKE-KRWDZBQOSA-N 430.413 0.703 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1792633471 SQENWRCYRQLEPJ-MIFYACCESA-N 431.518 0.031 30 20 ICED 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)C1CC1)C2 1793342748 OPWIYRFOYNLQKZ-FTWQHDNSSA-N 449.548 0.918 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793352253 HOOQDGJBGPPFRD-CWPLJXCYSA-N 448.476 0.329 30 20 ICED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](S)C(C)C)c(C)n2n1 1793383983 KAKNRQISSMSNDQ-LTCOOKNTSA-N 432.550 0.899 30 20 ICED CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1794295160 GQWUMJOAJRBUCL-SFKKXUDOSA-N 445.520 0.880 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ncc(Cl)cn1 1794540663 XWSDSRXBMQYQGR-WQTILXGZSA-N 437.884 0.862 30 20 ICED 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)=O 1795061284 RGTJUTBFMAFZRW-MHORFTMASA-N 435.521 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)c(C)c1N 1795700154 NGOWXKPYOAOZHX-KULPGCBOSA-N 430.480 0.778 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc2[nH]ncc2c1 1797345611 FIYHCYNOVXUUOM-OPVJXMOQSA-N 437.500 0.860 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c(C#N)c1 1798634866 LLOXZLPREVREAK-VPTLXERWSA-N 437.456 0.096 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)cc1F 1799519447 WFUJVNYGRASDDB-KULPGCBOSA-N 431.464 0.896 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)cc1 1800207808 JUWHVXBHSBVFPH-UPHUGPLXSA-N 437.456 0.530 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1OC 1801095880 GDTMTWGCQRTDJC-HJZKZARXSA-N 445.491 0.825 30 20 ICED CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1801988225 ZBHFOTSYNSEGFH-IZZQQSIFSA-N 443.504 0.958 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802097211 ZIROQCDXCPWBEU-YSTOQKLRSA-N 440.537 0.359 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)C(=O)O 1807146097 VIGCOWGWLRSMLA-ZHALLVOQSA-N 444.536 0.432 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)CC1 1809666524 WQSNBAXNPMTGEX-URXFXBBRSA-N 437.544 0.665 30 20 ICED Cc1nnc(CCC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)s1 1812873923 HRFVHJLKRKXYIL-FOIQADDNSA-N 427.486 0.968 30 20 ICED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1813173964 FZCHNTOQGZNVFA-LTECMTANSA-N 449.467 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813426489 BAVMYYFYNWYVPC-WTVRISBWSA-N 437.504 0.628 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477617 KUFYQFVGBUDBQA-CNPYVQQSSA-N 426.481 0.954 30 20 ICED O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)C(=O)N1 1824971631 GDPYLMIENUDRPP-BYWZACNXSA-N 443.504 0.870 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)CC2 1826024220 VJACGZKLZYRNGD-GARJFASQSA-N 434.547 0.982 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1830255685 JAYIUUWSZCUBDV-NRFANRHFSA-N 434.420 0.139 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966828 XYDPAEZLVHMNFA-HSZRJFAPSA-N 442.516 0.174 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1831393331 XDTDLPRIFYRWCA-SBUREZEXSA-N 438.484 0.738 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831451037 CVDOHFKNNKNRFE-XLIONFOSSA-N 446.566 0.106 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1831457305 FZYWJKBFCUUWSC-WAOWUJCRSA-N 442.578 0.892 30 20 ICED COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc(OC)c1OC 1832099990 PRDPJRSEKUIDAL-QFIPXVFZSA-N 447.488 0.625 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832559636 VFDHXYBXBUQIHE-QFIPXVFZSA-N 449.504 0.800 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833427410 JKQFKXBPLRXFEG-UHFFFAOYSA-N 428.493 0.776 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n(C)n1 1833439240 OHIIPUYNLWBTON-APWZRJJASA-N 426.539 0.453 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256866 VZRQQCATHGQDFJ-UZQRQJFPSA-N 438.506 0.742 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672461 LLFUXURKAKETAQ-WMZOPIPTSA-N 427.615 0.105 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1834857386 HWMONYFLPKQYHR-JOCHJYFZSA-N 429.473 0.890 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835675211 XIFPECNRLQEHPI-AUSIDOKSSA-N 444.532 0.458 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1835681428 WWGPLOZWMFPBCR-LAUBAEHRSA-N 438.594 0.868 30 20 ICED N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccccn1 1835699619 ODDGPDJETSZJIV-ISKFKSNPSA-N 434.496 0.590 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)cc1 1836397014 HFWSLWAVUOBMHO-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1837392273 AAYRSODSQRTEGX-AVRDEDQJSA-N 434.537 0.301 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837399695 ZPJJDJMFCGUWDJ-YWZLYKJASA-N 438.912 0.773 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c(C#N)c1 1839131057 JWEVJZQPTGNEHZ-FYYLOGMGSA-N 445.516 0.583 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)ccc1F 1839186973 BGUHZKPOMWPSMN-JOCHJYFZSA-N 439.447 0.800 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1839364103 LYUHTOYMQQMAFJ-QTDGGUCWSA-N 425.485 0.715 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1839451597 FJSVDLQSBIKWRA-PGRDOPGGSA-N 426.473 0.215 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@@](=O)c1ccccc1)CCO2 1839674259 PZWAJEFKRYTOGV-RTZCIUHDSA-N 440.587 0.957 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840404037 ZDKSKPSHCLUSKL-PGRDOPGGSA-N 446.552 0.491 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1845131151 ZSSAVNWAZOXVFC-KRWDZBQOSA-N 437.537 0.896 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1847070682 ZOUQAHIYSDIZNY-MQNTZWLQSA-N 444.532 0.941 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)cc1 23451340 KMZKGMUEIDJTAJ-UHFFFAOYSA-N 446.305 0.905 30 20 ICED COc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 430330135 SBXZQQCJFWBNHP-UHFFFAOYSA-N 436.490 0.465 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 439340955 OJFFLXKQDXRLOW-AWEZNQCLSA-N 438.506 0.805 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 460611573 VMIJWFYFGWWLEL-SFHVURJKSA-N 437.504 0.957 30 20 ICED CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460749949 UITCZALXCFAFSS-GJZGRUSLSA-N 447.569 0.921 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 481602622 GOQPIIHIAKGYSZ-QGZVFWFLSA-N 446.547 0.884 30 20 ICED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488643942 DEPVCOSIZVKNRG-QGZVFWFLSA-N 440.481 0.818 30 20 ICED N#Cc1ncn(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)n1 494544148 TZOOOHOHCJNJPQ-UHFFFAOYSA-N 431.460 0.470 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 501533599 RWAQMTMLZVXERV-GFCCVEGCSA-N 444.535 0.241 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NCCCOC 506884253 JUAXSQQXPHTAGF-INIZCTEOSA-N 436.490 0.903 30 20 ICED C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512197519 QYMQHNGTJBDJDH-QUCCMNQESA-N 445.589 0.950 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)c1 515689336 AUVFIYJZJWJQOV-UHFFFAOYSA-N 440.569 0.903 30 20 ICED COCCn1cc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 518141691 BBAHEJTYAZSPEA-UHFFFAOYSA-N 439.432 0.936 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 518425632 SXEZPZDJCNTAEW-INIZCTEOSA-N 445.563 0.369 30 20 ICED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 526038188 BBDKPVXTVYSSTD-UHFFFAOYSA-N 435.509 0.617 30 20 ICED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538252991 CXIKMYXGLGGBFZ-UHFFFAOYSA-N 446.533 0.898 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)CC1 550499779 WTKXEIKMXOTEPU-UHFFFAOYSA-N 443.548 0.231 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccsc3)N(C)C)CC2)c1C#N 551024171 UDZQFCUMEASPEN-KRWDZBQOSA-N 429.550 0.729 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)C2=O)cc1 554690692 QNUDWMVSSHPHOX-SGXKBVARSA-N 426.473 0.624 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cccc21 564525984 UKIDUZXVHVJQPK-UHFFFAOYSA-N 434.499 0.797 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cc1 566532248 CYCJSQSPBLHIFZ-CYBMUJFWSA-N 425.413 0.671 30 20 ICED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569759332 GNJYRDFEIMRIDR-VBKZILBWSA-N 436.516 0.873 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 586838189 DMXDYEZQZIGQGC-UHFFFAOYSA-N 436.463 0.918 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCc1ccccn1 610245133 WGYDZGHWJUVPQZ-UHFFFAOYSA-N 445.504 0.677 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 726043264 MGNKOONNJAQOAD-LBPRGKRZSA-N 431.401 0.629 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1 732491091 BKGSSONGEKINOL-PXLXIMEGSA-N 431.478 0.072 30 20 ICED C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 737307549 RTHMBOMULOXHNL-JCFLCSRNSA-N 441.488 0.881 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cc1 743936043 YHPSQJNIKAGOMC-VKQKCINQSA-N 448.505 0.021 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 745356371 HDHLTHJYALUGSJ-CQSZACIVSA-N 439.538 0.932 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 752885176 BBSXMLUUTWGUOK-UHFFFAOYSA-N 443.485 0.302 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 758056818 XDAKARCXYXVOSR-UHFFFAOYSA-N 442.566 0.659 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)o1 758080450 WQLCYVWIVXOVRZ-UHFFFAOYSA-N 432.368 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2Cl)c1=O 758082790 HXFSJORICUWFKN-UHFFFAOYSA-N 431.901 0.471 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 761047338 NDWPFFDWDGDCJS-CYBMUJFWSA-N 431.376 0.951 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 764031634 FIBQIGNWZXZFAD-CYBMUJFWSA-N 426.495 0.827 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)cn1 772310575 AZNXTOZWFGZEOS-UHFFFAOYSA-N 434.543 0.370 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 783481366 XGMBJTSNBYYMJW-AWEZNQCLSA-N 428.894 0.953 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n2)CC1 787542842 CRLLONOUHODWOP-GOEBONIOSA-N 445.524 0.964 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(=O)c1C#N 791173302 PZLYGFJDBDFFCS-HBJVGIJOSA-N 449.261 0.332 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)ccc2OCC2CC2)c(=O)n(C)c1=O 797401853 QEIMKCIUEBLPGQ-UHFFFAOYSA-N 426.882 0.839 30 20 ICED CC#CCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 810774521 JLIOZPDLMKHEAY-CYBMUJFWSA-N 426.472 0.093 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 852998694 UPJIQULOCGQQGK-CQSZACIVSA-N 436.486 0.555 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCOc1cccc(F)c1 919034437 RSOGHLPPHZBMRI-UHFFFAOYSA-N 435.433 0.714 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312626914 QCSBZQVKVGDOKN-SFHVURJKSA-N 448.549 0.229 30 20 ICED CC1(C)NC(=O)N(CCCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1341269172 LMHUWJNLHYZOTK-INIZCTEOSA-N 426.477 0.679 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503282806 VSQYFJURJCOOFQ-KRWDZBQOSA-N 444.565 0.764 30 20 ICED CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546550259 QWSBDYVBMDIQDD-XLIONFOSSA-N 431.518 0.840 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1552381391 NLGREIMQMDCSLZ-CQSZACIVSA-N 433.538 0.574 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1554511751 RXZVBIZBPXTXRD-KRWDZBQOSA-N 426.449 0.987 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2=O)cc1 1643548054 WEIJBVSMLQBYMI-UXHICEINSA-N 425.533 0.824 30 20 ICED COCCN(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1698024283 JWHHDMWOFSVVTP-MRXNPFEDSA-N 428.497 0.622 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706748828 ZJTNJMLOKXNHPQ-SOUVJXGZSA-N 444.583 0.343 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1730762901 NUOCGGGSWRRWIO-SJORKVTESA-N 440.570 0.267 30 20 ICED Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1742303471 LXZANAMOHLCDKZ-GOSISDBHSA-N 437.504 0.868 30 20 ICED COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1769853684 JBYLLVXGZDJDGU-HOTGVXAUSA-N 442.476 0.386 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1778976375 XQFKNUIOPLERQP-QVKFZJNVSA-N 431.468 0.885 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3cccnc3n2)C1 1778987120 YILDVAGRIKVTBZ-AQOAWAETSA-N 425.489 0.895 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018865 KMTSEYWLULPHMI-HHEUTOACSA-N 430.549 0.987 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1779100925 HJZNYGSDNFASFN-MFBSEBAMSA-N 433.465 0.585 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1780739300 AGTCHKGFXGAJGY-GCKMJXCFSA-N 439.509 0.072 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783194918 MBYPGCXDMCNQTK-QGZVFWFLSA-N 435.493 0.453 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1783888029 FAZNKBDDJKDQPX-IVZQSRNASA-N 445.541 0.750 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784382276 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30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796422006 FHBAQZGVLXDXCQ-BDLOOMQFSA-N 438.550 0.361 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797465922 OHTVVLBHNNJTAR-OPMZPASUSA-N 446.467 0.883 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1797812203 NURJNHIPSKJOQG-FJEYYMGFSA-N 445.520 0.952 30 20 ICED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838765 XUXOOEKSABSIIZ-BAUNPHCKSA-N 436.472 0.953 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2sc4nccnc4c2N)C3)c1 1798694060 WNJYKXIRMJOAAE-JJLQDPRZSA-N 437.485 0.990 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1799196432 QFBYXPIQQKCJKY-APAFKAMOSA-N 449.548 0.770 30 20 ICED CC[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 1799369304 GKACMADOFXUKJA-YGTYGHESSA-N 437.493 0.357 30 20 ICED 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CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839684203 BDMLFXALOXNIQP-XOBRGWDASA-N 434.449 0.518 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839840092 WPXKJQMLKUVRIO-HTAPYJJXSA-N 432.521 0.803 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3occc3Br)C2)C1 1840042881 TZWTVVORBBVBHX-KRWDZBQOSA-N 441.234 0.200 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840173527 CIBOTBXUUFQVAD-ZJSXRUAMSA-N 443.544 0.920 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345522 SWTMVHHBXFWJOK-UGKGYDQZSA-N 432.521 0.385 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840819163 SLCUCAPLDGBWJD-FQEVSTJZSA-N 447.517 0.020 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2 1840946557 JIOKCOURDGAKCT-CKJXQJPGSA-N 439.484 0.424 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1841054525 KYEPQNJIKBROOY-KTKRTIGZSA-N 435.484 0.841 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845438850 WLVSPPNBXJUZKX-GJSZRHCTSA-N 440.497 0.562 30 20 ICED CCOC(=O)c1sc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C(=O)OCC)c1C 11458306 VQYMEOUOAPRCIO-UHFFFAOYSA-N 448.457 0.781 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 465402996 JJKNGMURLWKKGO-QWHCGFSZSA-N 435.444 0.743 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1C#N 472266626 VAAXMWZKABUXTC-ROUUACIJSA-N 426.521 0.690 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480283799 LBOCIXKFVSLBHR-AWEZNQCLSA-N 442.563 0.545 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 482392625 VGJWBPICNXXYDA-BBRMVZONSA-N 430.490 0.270 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1=O 498863244 DVOLGBXRXLRUDY-WBVHZDCISA-N 434.880 0.805 30 20 ICED Cn1c(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C#N)c(=O)n(C)c1=O 504182890 GAZHASREYYUIEP-UHFFFAOYSA-N 443.938 0.572 30 20 ICED Cc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1S(=O)(=O)NCC#N 520864808 OBYSWATXJPFWCW-UHFFFAOYSA-N 442.545 0.874 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1nnnc1C 524201065 DMKNJHSTHXGDCZ-UHFFFAOYSA-N 447.459 0.533 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCS(=O)(=O)C[C@H]3C)nnc12 530385190 JUFODPJSJZXXDH-CYBMUJFWSA-N 447.542 0.968 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1=O 533728725 IKGVIKKOBJBCPE-UHFFFAOYSA-N 447.879 0.400 30 20 ICED CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 550360450 YMGDBJRIQNLAAH-GOSISDBHSA-N 427.505 0.002 30 20 ICED CCN(CCC#N)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(CC)CCC#N)CC1 554917108 WGEUIZQPDWFGFO-UHFFFAOYSA-N 448.615 0.639 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 557362870 HSRHJMXUZSGNHB-SFHVURJKSA-N 431.537 0.288 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1C 560054059 BGGPVKWDXNEIAY-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 564682093 SKEFIXVOPDSXNZ-ROUUACIJSA-N 445.474 1.094 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 565275272 HEWGNUZXNRCJBQ-UHFFFAOYSA-N 428.470 0.527 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 570354795 CZTIAOCUNOIFDU-UHFFFAOYSA-N 431.840 0.878 30 20 ICED Cc1ccc(NC(=O)Cn2ccn3ncc(C#N)c23)cc1S(=O)(=O)N1CCOCC1 577420394 FLVVWXVBWYEZPO-UHFFFAOYSA-N 428.474 0.976 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)nc1 585738767 DTBCCWMJKPSQKL-GOSISDBHSA-N 434.504 0.613 30 20 ICED COc1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1S(=O)(=O)N1CCOCC1 603550627 MBZHJKHSPMBLQI-UHFFFAOYSA-N 430.446 0.364 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 728536132 LFCLSXDBRSDEPU-UHFFFAOYSA-N 429.565 0.538 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1C 734581909 MPVAWYPDFXBUDN-SFHVURJKSA-N 445.501 0.771 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCS1(=O)=O 747202473 YQISURPEOGFTME-HNNXBMFYSA-N 442.563 0.436 30 20 ICED Cc1nccn1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 748113448 ITDZCMHMDKEMSV-HAVVHWLPSA-N 432.506 0.759 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 749743386 LMOQFKFVGHCGAE-UIFJYSFJSA-N 447.517 0.317 30 20 ICED CC(C)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 752334878 VYFVTECIHNBIAJ-AWEZNQCLSA-N 444.477 0.797 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752440033 VIEFWBVYDHKEIV-CYBMUJFWSA-N 440.474 0.789 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(O[C@H]4CCOC4)c3)CC2)o1 755029667 USLYBMXSSGIHIG-INIZCTEOSA-N 441.444 0.923 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CC2CCS(=O)(=O)CC2)C1=O 755567517 YZDBXHWDDBWZGI-CQSZACIVSA-N 440.547 0.983 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)s2)c1=O 758049376 BKYBYTHYRQWSTP-UHFFFAOYSA-N 437.550 0.143 30 20 ICED CN(C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1)S(C)(=O)=O 758779453 VSCJVFPGCFMTHD-UKRRQHHQSA-N 429.543 0.811 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 766356260 AHRFKLFQWPKULH-UHFFFAOYSA-N 425.492 0.954 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770645445 TVOZLTRLCYRPBR-UHFFFAOYSA-N 444.469 0.255 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771295610 IXQMJCROIZSRHO-JLTOFOAXSA-N 435.502 0.664 30 20 ICED COCCN(C(=O)CON=C1CCOc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 774850803 UEBMRKWWVVLVLB-CQSZACIVSA-N 426.491 0.861 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)c1 777172902 DZDBYWQPEUFCRH-UBJVEFMGSA-N 445.505 0.503 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782909225 UUVYGVYKFSBCCD-CVEARBPZSA-N 438.477 0.971 30 20 ICED C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793196979 OSJWQSRDXYRFNX-MRXNPFEDSA-N 442.856 0.996 30 20 ICED C#CCC[C@@H](O)CNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 798415898 JRRNGXRVVALXMR-MRXNPFEDSA-N 439.534 0.930 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 809773393 CXFAVXCMTHZIQZ-UHFFFAOYSA-N 449.552 0.116 30 20 ICED Cn1nnc2c1C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 810530674 CELIYTDXDQTRPD-MNOVXSKESA-N 426.389 0.947 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)c1cc[nH]n1 818132438 QTMJMIDLZFWLIK-QGZVFWFLSA-N 427.461 0.653 30 20 ICED N#C[C@H]1C(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)=CC(=O)n2c1nc1ccccc12 915215680 FAOBHIFTBWNVHV-KRWDZBQOSA-N 448.483 0.227 30 20 ICED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 919506701 GFYJKEWLSRUOSZ-UHFFFAOYSA-N 443.435 0.839 30 20 ICED Cc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cccc1C(=O)N1CCOCC1 919793610 CCXIBWFKDZHXJD-UHFFFAOYSA-N 436.472 0.901 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1316529939 ILEYIZSOTXHVJH-INIZCTEOSA-N 429.506 0.164 30 20 ICED N#Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)ccc1N1CCC(O)CC1 1318790718 LMZVHIAMSDNOMC-WBVHZDCISA-N 446.529 0.493 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1505140808 WHTOKWDZLCGUIV-AEFFLSMTSA-N 441.517 0.827 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H](C)C1 1508238449 YCPZYPMJHJHIFH-INIZCTEOSA-N 437.504 0.733 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1552385100 ZZTPXMLWGOPBQV-QAPCUYQASA-N 448.549 0.996 30 20 ICED CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1552717472 PDBDDGIFWGIYIR-UHFFFAOYSA-N 432.492 0.807 30 20 ICED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1552729855 RVZDTBXUKUAUGS-UHFFFAOYSA-N 445.549 0.765 30 20 ICED CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1620177929 RXEQKKOVTQILIW-UHFFFAOYSA-N 429.550 0.978 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1636427361 WINWXZNNMLIVKU-AWEZNQCLSA-N 428.511 0.793 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@](C)(NC(=O)C(F)(F)F)C3)CC2)o1 1648109451 IURANNLROHJCOE-KRWDZBQOSA-N 428.415 0.646 30 20 ICED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1686943157 PBMYRZGWBASSQY-QGZVFWFLSA-N 443.533 0.814 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N1CCOCC1 1694738182 JBORBVDOYGRILD-HNNXBMFYSA-N 425.497 0.076 30 20 ICED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707794978 RAEDMACPBCOXME-RHSMWYFYSA-N 448.553 0.548 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1724011847 SFOPBLXEJUSFCR-RHSMWYFYSA-N 441.579 0.887 30 20 ICED COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1749337095 IPZZSWOWTSWYRD-OIISXLGYSA-N 438.554 0.018 30 20 ICED CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766232445 SXPVKFLBTBMYQR-NVXWUHKLSA-N 449.581 0.273 30 20 ICED COc1cc(OC)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1780389074 NNGCLGNMBUPGBU-XMSQKQJNSA-N 430.457 0.919 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1781166962 XOUSQLLYCMHPJF-JLHGSKIFSA-N 437.537 0.894 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c(C#N)c1 1781174384 NJYJEMGVDWEISL-QFIPXVFZSA-N 437.456 0.749 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1781384099 ZZHSYHXSQGARRL-XLIONFOSSA-N 448.582 0.221 30 20 ICED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)ccc1Br 1781902213 DHLLWQYHRBXIRC-GOSISDBHSA-N 449.309 0.247 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1783931558 WHIHZIMESNVJNX-FGZHOGPDSA-N 445.472 0.626 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783975486 IMCLQQQLUIHZBM-IBGZPJMESA-N 438.406 0.609 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1784439399 WJNWRBGEBGLMOV-UVPYHEFZSA-N 435.612 0.248 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)[C@H]2C1 1784965822 APUYUJHFFIIHGF-YEWWUXTCSA-N 431.876 0.678 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 1785036065 HLJSUYVACJVLEK-YRJWVXGYSA-N 428.485 0.844 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1)n1cnnn1 1790228352 NSNQSLQQGRGNRF-XJOINEQPSA-N 427.440 0.538 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791077708 SSDVRAMBNAUWNN-IEZWGBDMSA-N 437.456 0.257 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263282 SSWPTSAIXSEVNB-CLWJZODNSA-N 445.516 0.916 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1793358071 OGXIEYXZNLCGJS-BCEDRHLLSA-N 429.473 0.812 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnnn2C)cc1C#N 1794231580 VSDMLHZNNAYMEM-XEMDLRDOSA-N 438.488 0.991 30 20 ICED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598418 QAWANPUAWZHCLF-BJWYYQGGSA-N 439.520 0.523 30 20 ICED CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)no1 1795598515 YVNKQFQZCSNBKM-JLVBRIDZSA-N 432.525 0.607 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)c([N+](=O)[O-])cc1O 1798594074 OLDDXTYYGSUSOF-VTEUUUEMSA-N 429.429 0.926 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)C2 1799306536 IVVYVCFFMGVEJL-STEXWYFWSA-N 448.516 0.841 30 20 ICED 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]3CCO[C@@H]31)C2 1800454923 RKMWIWRSRGDKLU-WDBHGICGSA-N 447.532 0.481 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1802478095 SFLGYRAZNFWEKG-CXJFKTAMSA-N 438.488 0.699 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cnccn2)[C@H]1c1cccnc1 1803296002 FQMDCJUKWOFADR-UKFPXBFUSA-N 434.500 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1808746682 PAWUPIYSXYTCAO-ZQMQQCDVSA-N 439.516 0.567 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CCC1 1811192732 HJXPDLIACIROGU-MAUKXSAKSA-N 433.472 0.984 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1811532738 KOOYMFIGDMHONS-VGOFRKELSA-N 446.467 0.916 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811793837 OVDMGCMOINLSGP-XJUOHMSHSA-N 449.511 0.923 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)ccn1 1812877928 RTSMTEFHBXBDCC-DYESRHJHSA-N 435.440 0.843 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814473673 DKFVTUKEAAQIRW-RYUDHWBXSA-N 439.501 0.967 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814594609 ZSBKWRJZAFILTK-ZDUSSCGKSA-N 432.550 0.959 30 20 ICED O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817614995 BPCCTZCGWZGUQD-MRXNPFEDSA-N 426.481 0.787 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1829762384 IOIYLNKKLHBLIF-VKUXZERMSA-N 432.452 0.149 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)c3)C2)C1 1829764948 DFLPNHNHVDIIMY-IBLIISRWSA-N 441.528 0.852 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829900810 OEGDWCIUTCXPCN-MNQSQUENSA-N 441.484 0.676 30 20 ICED C[C@H](Sc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831159343 IHMZQSIZBRECMY-KKSFZXQISA-N 432.498 0.712 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1831438026 KAXUIBPAXUTCRK-PLMTUMEDSA-N 425.526 0.339 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2)C(C)C 1831493492 SHRUJNVJCWXUIA-QKLQHJQFSA-N 430.567 0.985 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)CC1 1832772144 MKOPMBJXHICPTN-MJGOQNOKSA-N 444.532 0.915 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1 1833073988 WQLJUPJLQZDVBJ-ARJAWSKDSA-N 426.521 0.520 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833430195 VHWUVCARHFMWLG-FQEVSTJZSA-N 436.534 0.865 30 20 ICED CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833621613 DMCAZVANNNIIHO-FQEVSTJZSA-N 432.613 0.934 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)cc1 1834601348 IGEDEPSJKDVUNG-HSZRJFAPSA-N 437.452 0.824 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835539389 JWIHWAMDAJJTCE-IBGZPJMESA-N 447.469 0.160 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835644260 VUQMLAMTHKNPJR-LJQANCHMSA-N 428.555 0.442 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1835754703 PLIDFWYTMFVNPK-SCLBCKFNSA-N 443.566 0.371 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835913599 GAJCBAQSVFNQNI-NFBKMPQASA-N 444.532 0.564 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1837402990 NBOBBLPVKOYORD-TVTNDZMWSA-N 434.537 0.782 30 20 ICED CC(C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487172 ZEDSEPZFJVGERO-HSZRJFAPSA-N 436.549 0.957 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489807 VNQUJWMPEPLEKW-QFIPXVFZSA-N 436.505 0.095 30 20 ICED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837860933 SNQFDAZMQXONLW-ZVHZXABRSA-N 444.536 0.537 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c([N+](=O)[O-])cc1O 1838600931 FUHRVJADMCUTTG-IBGZPJMESA-N 434.405 0.293 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838768044 DCLUDQZKROVOPB-UHFFFAOYSA-N 437.493 0.598 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1839064043 MQLBPLNDKRKVDB-XMSQKQJNSA-N 435.569 0.066 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839158863 LJCOJFQISBZEFF-VGSWGCGISA-N 428.489 0.082 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839222218 HGVCHGTUKNRKPO-PGRDOPGGSA-N 438.569 0.976 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839223344 SQQVEPIDAWVXIQ-RXVVDRJESA-N 435.525 0.757 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839227321 CLGAETXUHMVTFI-IERDGZPVSA-N 449.508 0.537 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4c(O)cc(O)cc4O)CCO3)C2)CCC1 1839374039 DGKFVNXDAWTHGJ-NRFANRHFSA-N 431.445 0.567 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839516878 UYHBMKRYMAWEDZ-FQEVSTJZSA-N 436.534 0.655 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839645589 ONTFPEGJARRFSH-XMQQHFNTSA-N 440.500 0.597 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1839784760 UUSHSOGWRACYEA-CZUORRHYSA-N 440.440 0.139 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34CC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810863 VVWPMJVETNITOJ-ZQMYSKGWSA-N 447.532 0.723 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2ccccc21 1840042917 WDQYHEUZOYTUEQ-JOCHJYFZSA-N 425.441 0.336 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1840162732 GEWYCSDPHWDYPR-VLIAUNLRSA-N 439.509 0.929 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840168914 XVQFHTUVEQGLIJ-HXUWFJFHSA-N 429.502 0.960 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840588971 VXARIXKSZIRKPG-RAJMRQGUSA-N 436.553 0.731 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840819170 SPBXAYHGFBXUHV-QFIPXVFZSA-N 439.472 0.290 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840842459 HJXGJTMKRIIUJU-JOCHJYFZSA-N 435.521 0.723 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)C1 1841308633 BEBOGBAXKBJULH-KRWDZBQOSA-N 427.432 0.722 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 410145935 QPXRVVHSYLIENK-GOSISDBHSA-N 427.958 0.911 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 443094344 OIJCTZAGEKQPGE-LBPRGKRZSA-N 439.437 0.549 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460559739 MSADFAKIPJACJX-ZDUSSCGKSA-N 434.588 0.325 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)CC1 463225147 OQEPMYCUEOFTLD-MRXNPFEDSA-N 442.488 0.341 30 20 ICED CC[C@H](C#N)NC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 464102926 VNUGHPSIDWJPHY-AEFFLSMTSA-N 436.534 0.880 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 472588093 CJPNJIHCGYJQIG-UHFFFAOYSA-N 429.930 0.474 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 488984020 NNXWZHVZUIDWNY-UONOGXRCSA-N 425.466 0.520 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489242119 ZCYUKCWNUSQWPT-KRWDZBQOSA-N 445.501 0.342 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)cn1 491482292 ACYLJAHMRAFTLH-UHFFFAOYSA-N 433.476 0.214 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 502203077 PNCMFVLMUFZWDG-UHFFFAOYSA-N 437.591 0.764 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506697046 PVCTYNHEECEWDI-GDBMZVCRSA-N 428.536 0.326 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)NS(=O)(=O)N(C)[C@@H](C)CC#N 509237851 JFWMHVQNBHHEDA-JYJNAYRXSA-N 436.604 0.490 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC(C)(C)C#N 510699702 MLSVXMIAKDEEQN-UHFFFAOYSA-N 437.522 0.236 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1OC 512746790 OBCKZABHMVPWKP-UHFFFAOYSA-N 435.509 0.929 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC(F)F)c(=O)n1C 513640417 NMMLMSQRDGFIPJ-UHFFFAOYSA-N 439.440 0.322 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)c1nnnn1-c1ccccc1 516820316 BZHJKVQPHYSXEP-ZDUSSCGKSA-N 428.416 0.931 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 522257799 AWUQWUGWFSVUTH-UHFFFAOYSA-N 432.440 0.732 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 527030246 CYNRRLVOTWDGRV-GFCCVEGCSA-N 449.891 0.686 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 532470466 CEWYSNNKUWAZNA-IBGZPJMESA-N 448.593 0.432 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 540482937 CYLSICVXDCDYTO-QAPCUYQASA-N 428.532 0.617 30 20 ICED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 550600614 JBWVRWLOVBUTEJ-ZDUSSCGKSA-N 426.477 1.121 30 20 ICED CNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 550872974 MPWYVIZVOLNRGH-IBGZPJMESA-N 433.468 0.846 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)ccc1Br 550879870 SNWNEHMFEQICLP-UHFFFAOYSA-N 434.250 0.896 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2)n1 552924661 KYUCQQBHKOXIKJ-UHFFFAOYSA-N 438.463 0.216 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ccccc4)CC3)CC2)n1 559859025 LBVNROXKFXFSQH-UHFFFAOYSA-N 447.543 0.540 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 567003850 RUASKMKYOSJBPC-GFCCVEGCSA-N 435.366 0.747 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)c3cc[nH]c3c2)CC1 569032818 QQSKCHOZBQNAIU-UHFFFAOYSA-N 427.461 0.339 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCO1 573113766 UCRFWRABQGEQMA-INIZCTEOSA-N 438.488 0.953 30 20 ICED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 585774143 LDQNUNIGMNEBFB-UHFFFAOYSA-N 449.577 0.236 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588774335 TWOUXMCCXUEZET-DOTOQJQBSA-N 447.492 0.009 30 20 ICED N#Cc1c(CCCNC(=O)NCCNC(=O)c2cnccn2)nn(-c2ccccc2)c1N 608843140 JHJFHKUSUUNKTJ-UHFFFAOYSA-N 433.476 0.778 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCCC#N 612061023 VZHMOJMDUQQQJA-SFHVURJKSA-N 436.534 0.882 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)n2)cc1 615373900 ZTJNBLQGZMSUMT-SFHVURJKSA-N 447.430 0.975 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 726042500 CNWFAYKJVHRTLJ-QWHCGFSZSA-N 445.428 0.544 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 728531637 MFZLKGCVUYPNGE-UHFFFAOYSA-N 426.521 0.420 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N 729226372 GTLJFOGLQAGKFC-SNVBAGLBSA-N 432.842 0.830 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 729505784 MHJHXPZUCNUWTN-ROUUACIJSA-N 433.534 0.437 30 20 ICED N#CCOc1ccc(CC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 732366210 UJPZXNNPJQYQLE-UHFFFAOYSA-N 429.454 0.911 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1C#N 752396176 FNIAJKHCEOXWLE-AWEZNQCLSA-N 444.492 0.769 30 20 ICED COc1cc(OC)cc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)c1 752627436 RUHNNDYLJADTRZ-MPRRQWPQSA-N 428.445 0.699 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)cc1 754452942 DYXAEEPPKCQLEI-XDBZFTIUSA-N 434.543 0.760 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(=O)N(C)C 755662472 PTKDOTDSCMPLCY-UHFFFAOYSA-N 448.907 0.596 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sccc2C)c1=O 758090390 QMDANLGICUODMU-UHFFFAOYSA-N 426.567 0.580 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)CC1 761023535 HRHGYJOEGGNKEY-UHFFFAOYSA-N 444.561 0.821 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(OCC)cc2)CC1 761038598 XBBODOLTJAECBR-UHFFFAOYSA-N 433.534 0.417 30 20 ICED CC(C)N1CCC(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 767677831 BJAJOVAJEGHIPV-HNNXBMFYSA-N 436.534 0.757 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC3(CC2)C(=O)Nc2ccccc23)c(=O)n(C)c1=O 771896796 IULZGSBZPLHASG-UHFFFAOYSA-N 431.474 0.182 30 20 ICED C[C@@H](NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 772983317 LAXQSFLIWIOALA-MVZUJROASA-N 434.518 0.885 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[C@H]1CCCO1 773545086 AREVONUDEZIYQA-NVXWUHKLSA-N 448.501 0.214 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777939444 DGYXPVDAXMFYPQ-UHFFFAOYSA-N 432.433 0.385 30 20 ICED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784195875 NBVXACPGDRCSEB-UHFFFAOYSA-N 429.882 0.984 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(N)nc(N(C)C)n1 791194805 PPGSKTNBXUNEFI-CYBMUJFWSA-N 447.521 0.716 30 20 ICED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1=O 799141890 FALMMXOTLWVKOP-OXQOHEQNSA-N 434.518 0.533 30 20 ICED C#CCN=c1nc(N2CCO[C@H](COC(C)C)C2)[nH]c(N2CCO[C@@H](COC(C)C)C2)n1 804622329 BDTKXDOLGMGPCJ-KDURUIRLSA-N 448.568 0.599 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812188011 BZQLMALVNZBFFL-INIZCTEOSA-N 446.533 0.979 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O 906486790 PCOKJJQAHLPYFK-HXUWFJFHSA-N 447.496 0.136 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3OCC(N)=O)CC2)o1 914683778 JYLBBGBXALCCQN-UHFFFAOYSA-N 427.417 0.224 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3csc(S(N)(=O)=O)c3)CC2)o1 914684101 XDSKILFCQRJATI-UHFFFAOYSA-N 439.475 0.069 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914817135 LLVJAEDUVVHNTG-FZKQIMNGSA-N 427.479 0.900 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 914831697 BGEKBNRTCZUVIB-FQEVSTJZSA-N 440.525 0.583 30 20 ICED CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 916980255 GEKQXGRMMUWWFE-GOSISDBHSA-N 448.545 0.666 30 20 ICED N#C[C@H](C(=O)CCN1CCCS1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 918492108 MFEHSNHHZLQJOE-QGZVFWFLSA-N 449.489 0.378 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)CCN3C=O)cc1 918818117 YFEIZYLTNBFCJY-UHFFFAOYSA-N 427.438 0.782 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 919638205 WYCQRVMHUWITDM-OAQYLSRUSA-N 430.505 0.737 30 20 ICED C#CCN1CCC(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 919963643 MPXAWKXORJBSKX-UHFFFAOYSA-N 434.518 0.992 30 20 ICED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1122707728 NBJKKDVBYOTQHO-SOUVJXGZSA-N 433.486 0.768 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 1138108264 LIVSFBQWGQYMQH-SWLSCSKDSA-N 426.470 0.979 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1314558718 LTDQUTVAQVFOFT-KRWDZBQOSA-N 445.549 0.718 30 20 ICED C[S@](=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318735053 VDSJYLXHWVPZFC-ZOKDDAQRSA-N 431.518 0.286 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)CC2)o1 1343973519 WHAFMXVPFDUIBL-UHFFFAOYSA-N 429.524 0.341 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1436235450 UQSOWMYNWYXJEN-UHFFFAOYSA-N 438.506 0.998 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1464423539 UBUUVEZMYVOZHX-CVEARBPZSA-N 444.554 0.851 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC)CCOC1 1502689035 URPWXFRSTNOYNX-MSOLQXFVSA-N 426.543 0.609 30 20 ICED CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1519505007 UZBUPBHSXJTVRX-OAHLLOKOSA-N 436.538 0.600 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1Cc2ccccc2OCC1=O 1644505850 ORMJXCWDONBNRQ-HNNXBMFYSA-N 442.497 0.762 30 20 ICED CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 1664280418 MPLFPTOWFROVDA-GOEBONIOSA-N 442.538 0.110 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CCO1 1696965128 WQDLIXCMQREZNT-SFHVURJKSA-N 440.504 0.700 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS2)C1 1698313129 SYILKNUCJNLLIA-ZQIUZPCESA-N 444.558 0.949 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1723615989 CUTVUVOUZFIHQE-IAGOWNOFSA-N 449.581 0.560 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1747607772 OASPAYMXIGBECV-CQSZACIVSA-N 438.485 0.616 30 20 ICED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1749853073 WWLLMKGNJRQVRG-SUMWQHHRSA-N 440.505 0.221 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@H]1C 1761478178 GWNQHMSAKBJJHR-HZPDHXFCSA-N 439.586 0.739 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1768293057 RWHRBTIJMKAWRC-UHFFFAOYSA-N 441.521 0.676 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779529237 DHZPDNUIXAXYSW-OAQYLSRUSA-N 439.403 0.943 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccnnc4O)C3)C2)c(C#N)c1 1779919490 IHZPRDFQVDSVST-JOCHJYFZSA-N 437.456 0.749 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(CO)on1 1780218049 MFFMHCUZIHYEQH-DENIHFKCSA-N 445.516 0.993 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1781269728 JMALEGWLCVRZNN-QFIPXVFZSA-N 448.564 0.106 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)ccc1F 1781300588 AGPVTEXLXFRDIC-OAQYLSRUSA-N 425.420 0.879 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1783563358 PGNGMAZTDFPVKA-JOCHJYFZSA-N 427.457 0.055 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1783683193 TZPRKSVEWWNDDD-BPVMCAHGSA-N 428.489 0.981 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nn(C)c3C)[C@H]2C1 1784699779 XJZDETBOXCXCMT-AKSSPNHOSA-N 429.521 0.489 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1785427686 UKLICDMNKHYVGJ-YADHBBJMSA-N 435.521 0.602 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786372698 YTJDJDXDDMAINQ-LUKYLMHMSA-N 436.509 0.516 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791606 NDZDYWMVTCFZAJ-YVSFHVDLSA-N 429.454 0.459 30 20 ICED O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661651 WVKNAEIUXBBOST-BQNVIYTPSA-N 443.522 0.313 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(C(F)(F)F)c3)[C@H]2C1 1789018224 NPKKXJDQBCXKFS-CQDKDKBSSA-N 425.363 0.782 30 20 ICED O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791709833 TXQVOMMIVSMNKB-AJGSBBHBSA-N 429.521 0.781 30 20 ICED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084560 GUMLVJKBZMOUIN-KPEUIFRASA-N 446.508 0.349 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC)c1 1795239701 YTOAWCHYOJTEAW-NOOKGOPLSA-N 427.501 0.686 30 20 ICED 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)CCC#N)C2 1795894946 KYYHALHYVBWODC-IWSXDTNSSA-N 436.509 0.250 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC(C)C)nn1C 1796015088 HXIOZXJUFXXNBP-OIQBNGKOSA-N 443.548 0.680 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797708101 DPGFQUGBROAHHE-HIRMHNASSA-N 442.516 0.743 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797825935 IPQXYJRYNQWTMI-CWPLJXCYSA-N 434.493 0.285 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797973652 SRXOYFMLXYLLLZ-VXIBKDFQSA-N 428.537 0.753 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl)n1cnnn1 1798593643 YPDMJLAXLCITJE-MBMVNNNZSA-N 429.868 0.663 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1)N1CCN(C)CC1 1798862911 BGAWMRGDCVADSJ-RZXSNQJFSA-N 425.533 0.397 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189395 FWNLZCDLCINOPN-IVSAIRAKSA-N 425.489 0.914 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641104 KJSUEVQQYRMMIU-DQEVTTJGSA-N 433.530 0.637 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CCOC1 1800142947 AHPZMNFZYYUOLP-VWEBPMOJSA-N 435.477 0.396 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1ccc(O)cc1 1801054262 WHWMVLDAECPGBP-AYMMHLMVSA-N 438.488 0.166 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806287491 OMILZNOTTWCSFT-DENIHFKCSA-N 448.520 0.697 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)C(F)(F)F 1812715912 ADKIANDPZIRWPA-WMZOPIPTSA-N 444.454 0.493 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1814063072 YYCCDMSEQDEMKF-DYESRHJHSA-N 435.488 0.521 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820970325 YQZUZUOCBPRBFZ-TZMCWYRMSA-N 444.429 0.928 30 20 ICED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822027035 ZBAIPJXWKZRMCH-IBGZPJMESA-N 440.504 0.874 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1824491632 WLDKWTNIPXXIOW-HKUYNNGSSA-N 429.517 0.960 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c(C#N)c1 1830871940 OJWUIAVDBOMQAG-GMAHTHKFSA-N 445.516 0.583 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c(C)c1C(=O)OCC)CCO2 1830942299 IOFLTPQLANHRSE-JOCHJYFZSA-N 431.489 0.522 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831419450 MBPAVEJYCIZNRV-XLIONFOSSA-N 427.567 0.083 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832344500 NMZAKFMHPLZWMU-QDAQPVAASA-N 436.553 0.874 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1832928432 YJATVYKJRLEGGH-WHEDMDOKSA-N 431.449 0.089 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1C(=O)O 1833609192 IFGSHAVDECPMLK-DJJJIMSYSA-N 440.522 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)c(C)n1)CCO2 1833687647 SZCTVBGVLDOTPA-YLNCNTMDSA-N 442.516 0.627 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1833843467 DEMBUIILMMRXIC-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833869746 QOWPRWRPJLGITC-JOCHJYFZSA-N 433.505 0.438 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c([N+](=O)[O-])c1 1834765132 KRKBVCFBQZCRHQ-HXUWFJFHSA-N 446.416 0.365 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913381 IYBGAVVNMMJXDJ-UHFFFAOYSA-N 447.561 0.437 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cc(F)ccc5n4)C3)C2)CC1 1835344414 CIWYSITXYWZLQT-OAQYLSRUSA-N 427.436 0.847 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1835681383 UUYFDUBBDLEEAC-QFIPXVFZSA-N 435.569 0.211 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837728089 SFRQKDXQJJSPAH-SIKLNZKXSA-N 437.537 0.362 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1838744303 BWYMUVXYZGRXII-QHCPKHFHSA-N 449.548 0.990 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838908027 CWQZWSOILYOCCQ-JOCHJYFZSA-N 441.484 0.972 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)cc1 1838950927 OBKNNXMJVDEEPJ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839223365 TUJRTXDVIQTZQI-KKSFZXQISA-N 449.508 0.746 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2)C1 1839683959 RXDUXEOFKCWJKU-XFQAVAEZSA-N 442.509 0.578 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762342 HOYWUOPJMWVLIB-SFHVURJKSA-N 430.448 0.998 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840108300 ORMJAQVBVUSFDM-MRUHUIDDSA-N 441.525 0.293 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1840160289 DFDWDRQMTCKAAP-VGSWGCGISA-N 449.573 0.912 30 20 ICED O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840384662 FPIHCVVWLWXIAO-XOBIUNJKSA-N 443.504 0.832 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1840819166 SLWGFFGLNVNEGO-OAQYLSRUSA-N 426.429 0.695 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840820792 JYVZCQQCSQYBOX-GCJKJVERSA-N 429.473 0.430 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C(F)(F)F 1840855701 QTQOZXDJGQNXOK-MAUKXSAKSA-N 435.443 0.866 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084436 GZWYODCEOSDFIY-INIZCTEOSA-N 445.524 0.573 30 20 ICED N#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 109868168 UZZCKXUKZOWCAB-UHFFFAOYSA-N 434.518 0.669 30 20 ICED CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)C1=O 426106572 OYXSISDXILCPJP-UHFFFAOYSA-N 447.561 0.334 30 20 ICED COCCNS(=O)(=O)c1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1OC 427297126 XVOSKHZWNONNTM-UHFFFAOYSA-N 440.503 0.996 30 20 ICED CN(C)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 429539932 MAINKDFYRFUMOV-LJQANCHMSA-N 433.578 0.807 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 435197345 RENXDOWTQIVEKC-UHFFFAOYSA-N 443.525 0.687 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436598130 YSJHHSNCDRMVCK-OAHLLOKOSA-N 442.497 0.915 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(I)cn2)C1=O 440270641 WUBWEASTMIMLBN-NSHDSACASA-N 428.230 0.870 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 440607369 AHMJJAABLYVAIN-UHFFFAOYSA-N 449.577 0.547 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 441014213 WAILLZHETKCLTD-INIZCTEOSA-N 429.502 0.772 30 20 ICED Cc1noc([C@H]2C[C@H](O)CN2C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n1 447352943 CKADGDAZQRTMHE-SWLSCSKDSA-N 425.380 0.848 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 461068168 YYTQOHUPBDLWNS-LPHOPBHVSA-N 444.561 0.940 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 464414034 ZHVNLJBRWHWHJB-UHFFFAOYSA-N 440.459 0.732 30 20 ICED CN(CC(=O)N1CC[C@H](OCCN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 478904687 YWXGZUZPVZEDFG-SFHVURJKSA-N 436.534 0.128 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CCSC)c2=O)n1 479363492 LEIATHKXYDTRQX-CYBMUJFWSA-N 431.539 0.785 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(Cc2ccon2)c1=O 480961327 VHZKDYDQEHLAEX-UHFFFAOYSA-N 442.522 0.926 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 483047245 LPGURULLSBUDPH-UHFFFAOYSA-N 438.527 0.847 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CC1 483886282 TZLCUJTXTWTDFX-UHFFFAOYSA-N 440.859 0.651 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)CC2)o1 488783747 PKEMJGBMRPSDNA-KRWDZBQOSA-N 429.525 0.581 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3csc(C)n3)c2=O)cn1 489034677 CCMYZZJCXUMFIT-CYBMUJFWSA-N 441.538 0.989 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 491489228 ZJQQKUXZTYJMPR-UHFFFAOYSA-N 430.896 0.911 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 497893811 WDRGMFNPYWEXBN-UHFFFAOYSA-N 436.534 0.396 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)cc2)c1N 502093337 CAYRGPQLTLLOKH-OAHLLOKOSA-N 431.499 0.952 30 20 ICED C=CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@@H]1CCS(=O)(=O)C1 516252158 NWPAPBQEMZPEOK-OAHLLOKOSA-N 445.563 0.081 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 522278459 QYKBPSDMBMHOQN-UHFFFAOYSA-N 446.485 0.120 30 20 ICED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 537132583 ICVRHQDVMRXULE-PKOBYXMFSA-N 448.545 0.711 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1Cl 542794168 ZMBOMPLBHWLGIS-UHFFFAOYSA-N 432.933 0.632 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 550980434 JAXLTZMZUIFWKF-KSSFIOAISA-N 431.456 1.160 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 551542642 JVPONNHIKXEFJG-UHFFFAOYSA-N 433.472 0.766 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 553397790 YMMKIBVGUPCFOZ-GOSISDBHSA-N 444.598 0.042 30 20 ICED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553634710 AOSGIYVLZDUSIX-QTQZEZTPSA-N 443.508 0.798 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)n(C)n1 564357110 KXOFFHOSZZOGFT-SFHVURJKSA-N 436.520 0.429 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 568131406 ZFKYCPHXQAVAJI-SFHVURJKSA-N 449.467 0.747 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 582066616 KHALNJANTKSTPV-UHFFFAOYSA-N 426.498 0.927 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 583230391 WPOAUBPLNNBHGX-APWZRJJASA-N 441.532 0.473 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1CC(C)C 583403134 LNKIJSFXUJHPRI-UHFFFAOYSA-N 429.542 0.978 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2=O)cc1 588866457 YVHDTRCNOOMUEI-OTWHNJEPSA-N 426.473 0.576 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 589234089 OJSJCAYFBXWELM-UHFFFAOYSA-N 428.493 0.053 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 610532476 DXJCBDVOCXGKDZ-UHFFFAOYSA-N 436.896 0.902 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 617547260 XBGUOESDYKGRMH-UHFFFAOYSA-N 425.515 0.088 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCN(C)S(=O)(=O)CC)cn1 726114458 YRRSTGZRLVXYHJ-AWEZNQCLSA-N 444.583 0.642 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)cn1 732561793 SMEXEFGBEUOAQU-UHFFFAOYSA-N 435.509 0.477 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccon1 747178998 LSQWFZZIISDYEQ-CQSZACIVSA-N 440.503 0.918 30 20 ICED Cc1oc(NC(=O)COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c(C#N)c1C 748426670 CZBJNJDQCGWIHE-UHFFFAOYSA-N 425.401 0.818 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(F)c1 750776312 QYRRBGMMTVPZCT-HNNXBMFYSA-N 447.492 0.511 30 20 ICED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)CC1 777857798 ABZCXMZAAOUKGD-UHFFFAOYSA-N 441.466 0.382 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 781457466 HPSWYCZXPCDHBA-YJBOKZPZSA-N 437.518 0.810 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782250231 QACXPPXWLFTUEQ-UHFFFAOYSA-N 439.493 0.124 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 783479614 FHNTXNLZMCIOCE-INIZCTEOSA-N 441.531 0.426 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)n1 787109331 RFMYVFQLVMKHIW-FQEVSTJZSA-N 431.537 0.251 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 789408416 KKVZKANFVRMMBT-MRXNPFEDSA-N 437.456 0.266 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 798559945 AKVUEQKAPWILEC-KBMXLJTQSA-N 428.894 0.794 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)ccc1F 804555703 SXWIZYMXBFEDBF-DJJJIMSYSA-N 438.481 0.883 30 20 ICED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 808034048 BZYCTJGXFRKGFL-HOCLYGCPSA-N 445.524 0.232 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 916923075 JQZWKOWTBJNDTM-CQSZACIVSA-N 438.444 0.215 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917019693 DKDDJCUSZNVZJT-GAIWEEKLSA-N 434.452 0.843 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CC(C)C 917354931 BQQTUYKXEVRCPF-UHFFFAOYSA-N 445.589 0.962 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 918957564 XAOXSMVJKMGAIS-HNNXBMFYSA-N 437.518 0.825 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCC1 919670395 QDVGFWCVQBARBG-CQSZACIVSA-N 428.536 0.741 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1286876710 LNBLDJNYGPBKIV-UHFFFAOYSA-N 435.492 0.659 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1314534753 IGBYKRDWJUEQNV-HNNXBMFYSA-N 429.568 0.745 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(CC(N)=O)C3)CC2)cc1 1318509680 OJWSOAKJIZHQDB-QGZVFWFLSA-N 433.534 0.025 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1=O 1318672600 BWEPTMZOLAPMBM-GFCCVEGCSA-N 435.462 0.035 30 20 ICED COC(=O)CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1322884857 DHDPNJLZWMMSAT-UHFFFAOYSA-N 436.534 0.665 30 20 ICED COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1 1450098400 MWHNPOBGVGZBQV-RBUKOAKNSA-N 443.481 0.957 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1502618564 JREYUEPYRQYAPL-UWJYYQICSA-N 433.557 0.833 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1541803994 PAEXXFBZSPCPOV-MUKSBBSRSA-N 444.583 0.260 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1711425731 XMUNYYALUBSAGP-SFHVURJKSA-N 438.485 0.857 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1729372801 IHOIPLCAEOZCQE-UHFFFAOYSA-N 432.506 0.156 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1741675776 LVURKFTYETUZOW-KRWDZBQOSA-N 426.529 0.354 30 20 ICED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422218 VSGINWTYLQCUDF-VNEPSXMPSA-N 441.525 0.692 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442934 VISLREJPYCEKPR-SNMCFTQTSA-N 449.577 0.696 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)cc1 1781011648 ZMQBZAQCMAXFHO-DNVFCKCGSA-N 441.532 0.473 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)C[C@H]1CO2 1781062275 GKABUGNSNMCVPB-RVHYNSKXSA-N 434.493 0.508 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1781177272 VPIYRQHMRYVGEH-QFIPXVFZSA-N 441.484 0.892 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1781270698 SXQGZIOANCMLJJ-VGSWGCGISA-N 431.489 0.749 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781401290 XXSMZGJCRNOOPP-YWZLYKJASA-N 435.481 0.942 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781860813 YNSHHIFMBBRXNN-HUBQLTNZSA-N 429.473 0.625 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1cncn1 1782533175 XJFPTUMCRODUKM-NZGYFVJWSA-N 431.541 0.825 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1782763911 LNUIEVGEJPUMOL-SZNDQCEHSA-N 434.460 0.731 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1783545605 KIGWCJHVBHZMTR-FIQUECFISA-N 448.520 0.754 30 20 ICED Cc1nc(Br)sc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 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C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272158 JPTDSCOWMASJLT-VGWMRTNUSA-N 438.525 0.311 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798460442 ZFYZEIJILXWGBX-XOIINTDNSA-N 431.518 0.453 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c(Cl)c1 1799749888 OQRPDKUXVZZITM-RBNVPPIJSA-N 445.863 0.013 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C(=O)OCC)CC1 1801987544 HQWKCPVFTAIIQU-OQIJWPOYSA-N 435.521 0.483 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1803553274 OZSIBIHFTXKFBO-KMFMINBZSA-N 440.422 0.804 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803563398 SFKBWIHQQUEOFO-GRZALLJUSA-N 429.477 0.277 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)C1 1806001499 DYACPEQLDOCZPT-DLBZAZTESA-N 427.567 0.584 30 20 ICED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1806278610 DFIVEDOPKJHINJ-SCLBCKFNSA-N 428.474 0.466 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806848552 SWLATUHGHKCPBB-OAHLLOKOSA-N 432.525 0.098 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810361051 NAZKEFAVRKOPAV-VGIZHVHOSA-N 445.520 0.339 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(n2)NC(=O)CC3)[C@H]1c1cccnc1 1812878145 DJFCYAGIPCIYSE-KKSFZXQISA-N 447.451 0.769 30 20 ICED CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1817016163 MBPWMPJSWKMDEH-NWDGAFQWSA-N 435.554 0.784 30 20 ICED N#CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332248 FSFFOGYCMQRPIX-QFIPXVFZSA-N 438.440 0.440 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1829630106 RLAXNBQFPGXETE-XMMPIXPASA-N 449.511 0.980 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1829895659 DCBRQTOGSRDCIR-HSZRJFAPSA-N 426.517 0.653 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905770 LTHWVUNLRCWVEV-MBSDFSHPSA-N 428.533 0.897 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830458834 IWVBOIKGDCPWMR-QHCPKHFHSA-N 443.500 0.900 30 20 ICED COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830483250 KJJZCYKXDMKICG-JOCHJYFZSA-N 441.488 0.931 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225685 XXZAPHRSUGGAQC-YCRNBWNJSA-N 432.517 0.836 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831491090 VGPQVPORWAYEAR-LPHOPBHVSA-N 427.523 0.845 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832200058 XSRSZJARKNEHGW-NRFANRHFSA-N 426.477 0.437 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)C3(O)CCC3)CC2)CC1 1833074652 WPFZGSWOAYCQTR-XFHJGTJQSA-N 446.592 0.968 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c1 1833720630 DPPPQOSYGCQBSK-NRFANRHFSA-N 425.445 0.674 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736348 YGGFRYVHYKEJPF-WOJBJXKFSA-N 433.597 0.919 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834773009 DEVPRAJQXNDKTP-XYXUZSOXSA-N 427.457 0.748 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)nc2s1 1835338764 RRJZVOJTGZOLOU-HXUWFJFHSA-N 444.517 0.402 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1OC 1835345752 YOHBCVFHWDNRLP-OAQYLSRUSA-N 430.461 0.473 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835657548 WTTAGFZTMRPDIT-QHCPKHFHSA-N 428.533 0.947 30 20 ICED CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCO1 1836271498 DKOQMEXMOZKUAW-QHCPKHFHSA-N 432.517 0.836 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808492 LMDODOSFAQKXAY-QVKFZJNVSA-N 427.461 0.066 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837562742 OWODQJAVTIJIKV-UYYUJSNXSA-N 449.895 0.705 30 20 ICED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1838004715 DAPSKKXYJUKLNJ-MHRHTVJOSA-N 433.509 0.833 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838213700 QJIYOHXOFTVGDS-OAQYLSRUSA-N 430.509 0.137 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838326447 AEPHHWVSECGGGS-AOMKIAJQSA-N 443.504 0.414 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)o1 1838906207 YMVDIOZPNBFEDA-OAQYLSRUSA-N 425.445 0.562 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839225440 JURMTRIEYJINQD-HRAATJIYSA-N 444.492 0.600 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1839453134 PPKWCYZDVMXFSG-QFIPXVFZSA-N 440.456 0.731 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483687 NDEKVOFDRQEBHW-OAQYLSRUSA-N 441.444 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3onc4ccccc34)CCO2)C1 1839544430 AMORIWGAEXCPDP-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839568586 BIVCFBWFGNPJSY-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1839888914 PVXAMHUHMYNMGN-SFHVURJKSA-N 436.419 0.406 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1)C(F)(F)F 1839893931 YRKLZNWARPIJCY-SFHVURJKSA-N 443.378 0.999 30 20 ICED COc1ccc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840044345 UCBVYYNIIFGNRE-WTCGPSRQSA-N 446.431 0.392 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3CCCC4)C2)C1 1840045223 YCLANBAFVGLBOV-QHCPKHFHSA-N 426.469 0.723 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1840160716 QEOWPRMXZDKPFC-QRWLVFNGSA-N 433.534 0.734 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1840788594 OAAYVNRYGQHZQK-QHCPKHFHSA-N 440.500 0.762 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882080 DURSKBRFQXJUCC-KKSFZXQISA-N 426.510 0.623 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259336 FAANSTCXMZYQKI-CBFMJHRQSA-N 427.509 0.270 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299167 FZYMRCZAXVFQQN-ABOJNYCISA-N 430.527 0.047 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)C2 1845958353 WNUWUDOBBYGEHK-HNNXBMFYSA-N 442.520 0.969 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410139209 XDVSLDLUCNQCNT-UHFFFAOYSA-N 432.424 0.936 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 434377458 OBFUARTXMGBTCM-ZBFHGGJFSA-N 427.486 0.651 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 442945320 ACDXPYGSFNVABT-UHFFFAOYSA-N 425.902 0.757 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1 446529599 JIELNSNPOFRPNP-UHFFFAOYSA-N 426.481 0.292 30 20 ICED CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 446713750 ZUEAQMRMVHITEK-UHFFFAOYSA-N 437.504 1.132 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 460611739 ADJGTCBMPGBCNM-UHFFFAOYSA-N 432.444 0.830 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 481252468 FLWYADDIYWQFNC-CQSZACIVSA-N 442.501 0.068 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1 491031367 FAHCIYCHEAZAGJ-UHFFFAOYSA-N 443.548 0.990 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC(F)F)CC1 491143696 JXYNRFXNAUQWNO-UHFFFAOYSA-N 426.420 0.682 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 498997003 AGGFMWKFXYHKKA-UHFFFAOYSA-N 435.868 0.056 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 500933635 JVCYTAXCJRUSMX-UHFFFAOYSA-N 433.527 0.900 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CCN(C)CC2)c1=O 512727861 BPKOFGYPGFGXOB-UHFFFAOYSA-N 440.573 0.518 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514329409 AMROFJRESWIEHZ-CYBMUJFWSA-N 430.486 0.882 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1=O 515708453 LGNICVGEDTUGIF-RBUKOAKNSA-N 430.574 0.966 30 20 ICED N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F 522800103 GJOAFEHMNZUQQE-UHFFFAOYSA-N 432.499 0.017 30 20 ICED C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 533065374 IZLSJRWFHYZXLH-UKRRQHHQSA-N 427.548 0.287 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 542069983 NAGGZRAOXQGPQK-UHFFFAOYSA-N 425.449 0.246 30 20 ICED C=CCn1c(Cc2noc(-c3cccc(OCC(N)=O)c3)n2)nnc1N1CCOCC1 546349388 UVWQUHBJIXWYAS-UHFFFAOYSA-N 425.449 0.806 30 20 ICED CCC(=O)NCc1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1OC 548042518 MKSHISDANLVRLT-UHFFFAOYSA-N 448.505 0.954 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 548289668 SNTJBFZKSIPJRU-QGZVFWFLSA-N 440.521 0.990 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)nn1CCC#N 551320651 CAJQSEBECALZRX-CQSZACIVSA-N 445.277 1.338 30 20 ICED CCOc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 569974429 WHSYWCVPFJPBPQ-UHFFFAOYSA-N 429.502 0.979 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCC(=O)NC23CCC3)CC1 570690712 YFBOVMFHGYUMJZ-SFHVURJKSA-N 445.545 0.182 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C4CCOCC4)nn3)CC2)cc1 582031745 YQVHONYDZRNGEM-UHFFFAOYSA-N 430.490 0.648 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222448 SVYIUJHFCJZVJR-UHFFFAOYSA-N 438.431 0.775 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(CC#N)CC2)cc1 611645167 XEAVIHXGWRKBBL-HKUYNNGSSA-N 434.562 0.776 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 612201740 UXKGIXDNZWSNOW-UHFFFAOYSA-N 429.477 0.882 30 20 ICED C=CCC[C@@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 673270060 WWLCNSPRQRIPAZ-QGZVFWFLSA-N 440.504 0.299 30 20 ICED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 679821624 NSAFAXFIAMUDFP-HZMBPMFUSA-N 436.317 0.536 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1C 727008095 KLKFNZYFIRMYIZ-UHFFFAOYSA-N 444.469 0.687 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)[C@@H]3CCOC3)CC2)cc1 733720156 LFOZFXRUNSTJAW-MRXNPFEDSA-N 427.504 0.194 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CCN2CCOCC2)C1 734469253 XWJNSSHAYQAETD-KRWDZBQOSA-N 449.577 0.028 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c1=O 734481874 ZRYMXJNBBQJMFD-SFHVURJKSA-N 425.489 0.629 30 20 ICED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(C)(C)C#N 747993199 FGXXTTOCJGFNIZ-UHFFFAOYSA-N 427.454 0.764 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nncn2C2CC2)c1 750650737 JXDMBXUSDAILCQ-LFVJCYFKSA-N 445.505 0.681 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753124676 DXLUQDHGYPCRPD-IBGZPJMESA-N 447.561 0.467 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758115825 IPFYZKPZYRKETA-INIZCTEOSA-N 427.530 0.477 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766050255 DHMQSOLWYBZPJA-UHFFFAOYSA-N 431.430 0.774 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767628125 PVMLGJWWECIVHH-QWHCGFSZSA-N 444.469 0.894 30 20 ICED COCCN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 768875941 AEPWWQCACIKRTN-HEHNFIMWSA-N 437.522 0.822 30 20 ICED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 771600339 YXOUGWOKMMKDGH-HXUWFJFHSA-N 426.433 0.664 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCc1cccnc1 772311902 HIVVFCUTTVWCLQ-UHFFFAOYSA-N 432.509 0.650 30 20 ICED C[C@H](NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 772983312 LAXQSFLIWIOALA-CVTQAYBASA-N 434.518 0.885 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 779538511 YEHDJLRFKXHCMZ-PYCFMQQDSA-N 435.550 0.992 30 20 ICED CN(C)S(=O)(=O)c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 782533244 SBPMZFZWFVQPRZ-UHFFFAOYSA-N 436.515 0.292 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 787780263 ZXOKEUJIFPMYBO-AWEZNQCLSA-N 444.517 0.609 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)cc1 792414307 YFHGJMFUHTWRLA-ZLFSKHNOSA-N 434.518 0.933 30 20 ICED CN(Cc1nnc2ccccn12)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 808176644 JWBAVNIIQNDRPJ-KRWDZBQOSA-N 431.456 0.871 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 810870706 YOVYYWHGZGVKEL-UHFFFAOYSA-N 443.485 0.400 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOC 812273922 ODJBHYZNZCZNQW-UHFFFAOYSA-N 425.461 0.257 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3cc(Br)ccc32)c(=O)n(C)c1=O 814883644 VJRPUQPWNXZEHK-UHFFFAOYSA-N 427.280 0.475 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CCOC)CC1 916199998 RNPOXBIBFRDZKW-UHFFFAOYSA-N 426.542 0.223 30 20 ICED C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1)n1cncn1 918268395 COBVBBRZCVGLIN-CQSZACIVSA-N 447.459 0.911 30 20 ICED CC(C)[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919549297 MXWPLPFPCHGFEY-DOTOQJQBSA-N 445.501 0.811 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1290634915 XULATJIDKINEPD-UXHICEINSA-N 447.565 0.819 30 20 ICED CS(=O)(=O)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1302429005 WHPOHNPOCGPPMD-NVXWUHKLSA-N 444.517 0.604 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCOCC1 1305785137 HZGMAHXNOSOOKW-GOSISDBHSA-N 445.568 0.915 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn(C)c3Br)CC2)c1C#N 1475201541 KCULOENQIBOOTL-UHFFFAOYSA-N 428.316 0.607 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 1611707262 NVUURSDMNQSEAW-CRFBAAHOSA-N 437.570 0.226 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)Cc3ccc(F)cc3C#N)CC2)cn1 1661709747 FREVPENKFYNXCZ-UHFFFAOYSA-N 441.510 0.704 30 20 ICED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cnn1C 1692943607 IVRUUGLVQQGJBW-CJNGLKHVSA-N 436.542 0.440 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1698484604 SVFXEEOACKURTQ-PBHICJAKSA-N 427.502 0.554 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1723772288 KIEDSGHTMLZXFI-QRQCRPRQSA-N 436.520 0.997 30 20 ICED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1740797465 PSTXQNBPANGLLT-NVXWUHKLSA-N 445.549 0.816 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760306968 LYTAZHJVRNLXIK-VXGBXAGGSA-N 447.359 0.656 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1760694680 ZAVBRFHXUOMOHT-GFCCVEGCSA-N 430.423 0.898 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1770310833 YWVOWJOOTCZUHH-OAHLLOKOSA-N 441.579 0.887 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)ccc1F 1778855043 NBWWQWWLPKGJHD-NRFANRHFSA-N 441.467 0.403 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779059772 VUVVQTPUDMUWKT-HRAATJIYSA-N 431.493 0.616 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779070242 XONGOXRZPUAPDA-APWZRJJASA-N 428.507 0.230 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1783055195 QQZSJXWVGJURLK-JWQCQUIFSA-N 448.523 0.863 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783115008 DHIPJESLCCWXHE-QVKFZJNVSA-N 432.546 0.934 30 20 ICED COc1cccc(N2C[C@@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CC2=O)c1 1783447815 VKZSRRQVXQAQIQ-FVCZOJIISA-N 440.500 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)s3)C[C@@H]21 1783531029 HRBJNMVDBBYDKX-PVPAMPSESA-N 433.534 0.227 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C[C@@H]21 1783533032 LCRALKAWVWWYCV-DIXNWWEZSA-N 442.516 0.687 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 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20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444178 CNDAYXIYUXUNHO-YCUSNSCCSA-N 440.543 0.511 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797742142 LADPMFWMDKTSRV-BCPTVQRKSA-N 435.525 0.577 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1C 1797784478 HVNKOOOECFHFMO-CWPLJXCYSA-N 430.505 0.331 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(NC(C)=O)c1)C2 1799303509 CWWKFEUWUOTSPO-XEMDLRDOSA-N 444.488 0.753 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800242940 ADBFAMNNROQROR-HNJRGHQBSA-N 432.590 0.927 30 20 ICED 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 1800454070 WGLRWWWMMXJSLT-RVDAZCDBSA-N 443.475 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1c1cccnc1 1802475582 HRBUNFMCKIMQDS-FRSGBFPDSA-N 427.505 0.457 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803643258 IFUBTCDHVDCBNI-ULQDDVLXSA-N 428.493 0.478 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1808406443 DXMILROSIUWKCE-DENIHFKCSA-N 444.557 0.926 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817247271 YIUVPTIDVLJEEX-DZGCQCFKSA-N 432.529 0.276 30 20 ICED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)[nH]n2)CCC1 1823375899 XRYAMIDQQNNGOK-MRXNPFEDSA-N 448.549 0.826 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1828806200 MMIKGCLZBHIWAM-NRFANRHFSA-N 437.460 0.784 30 20 ICED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808037 GLUKMAUBZITBMT-JOCHJYFZSA-N 441.488 0.488 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829956414 MNKNEGPINUXNJZ-XMSQKQJNSA-N 426.473 0.154 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831219418 ZQNUZCYLYQGUBI-HSZRJFAPSA-N 441.484 0.834 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831399566 XNHYNLHIKDAAKV-OPAMFIHVSA-N 430.505 0.017 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831406749 CJVYNANVDGGASS-LJQANCHMSA-N 437.453 0.371 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831406783 FCYFRYPFGNWCKT-REWPJTCUSA-N 446.548 0.391 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831427764 ZSAONEJQMIFNPJ-IFXJQAMLSA-N 428.436 0.939 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c1 1833276256 NMLMSQSDWMGLTB-JOCHJYFZSA-N 440.431 0.715 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833329683 GWSBOCSIQCIHJO-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cncnc4)CCO3)C2)c1 1834307588 KVBVWDVNOBVHMM-OAQYLSRUSA-N 425.420 0.871 30 20 ICED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834517201 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C[C@@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 22551639 IQFYOBIYBMPAHA-GOSISDBHSA-N 425.532 0.652 30 20 ICED C[C@@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 409461869 ANMVNXUSYOGLEY-LBPRGKRZSA-N 433.450 0.371 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 428804975 MMVCWJIZJNMOHB-HZPDHXFCSA-N 425.580 0.423 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434802348 KFOYHCWTWDWNLC-MRXNPFEDSA-N 446.552 0.739 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C(F)(F)F)c(=O)n1C 435247062 VBAQJXWOYPTXIL-UHFFFAOYSA-N 429.395 0.870 30 20 ICED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 438874406 FQZRNMSGSYFOFL-MRXNPFEDSA-N 435.488 0.725 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 442282708 IXAKDFYFMKYJTH-INIZCTEOSA-N 441.492 0.679 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1C#N 443956178 ABJXOOCXHRLAFX-UHFFFAOYSA-N 438.487 0.254 30 20 ICED COCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CCCSC1 448423651 GWMUMMRAYKNDOI-QGZVFWFLSA-N 428.518 1.507 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 460733840 IUPMFKFNJOZXOU-ZDUSSCGKSA-N 449.393 1.055 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477236431 QWVNECUXEMWTSU-CQSZACIVSA-N 425.507 0.169 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1nc2n(c1=O)CCCC2 480489426 WNRSPKBBXZAMPZ-AWEZNQCLSA-N 432.506 0.126 30 20 ICED N#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 482457235 SLMCDSWJPAAINU-MRXNPFEDSA-N 438.481 0.190 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490385734 LBTKSIHYYJWVAZ-AWEZNQCLSA-N 435.912 0.836 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1C 497456362 LEKRTPIZNRBBTC-UHFFFAOYSA-N 428.518 0.978 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CCN1Cc1ccccc1 501590568 AYVXEBQKSMQXAN-UNMCSNQZSA-N 439.560 0.840 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 502314149 YINOGLGJDIMTFI-UHFFFAOYSA-N 444.535 0.260 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 512476114 XOWBQILWMBSCSG-NHCUHLMSSA-N 432.613 0.697 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)n1 513200437 VDNOKSYFBDGTEW-AWEZNQCLSA-N 441.467 0.525 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 517860680 VFZOUJCADFTYLF-IAGOWNOFSA-N 431.514 0.964 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 520271394 JSDPZTHJGGKMOU-UHFFFAOYSA-N 444.561 0.998 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCN1Cc1ccccc1 534856357 IIMNZOOBLATXTB-INIZCTEOSA-N 431.456 0.837 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 550575409 JVSZHBOFYBWJOP-SNVBAGLBSA-N 429.296 0.657 30 20 ICED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 564216379 XHMAUQIHLKXBCO-JDWNHOKZSA-N 434.566 0.445 30 20 ICED N#Cc1cncc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 574677657 BDBOSBLCKPXQRG-UHFFFAOYSA-N 436.471 0.076 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1C#N 583175784 WIOUKXLMYCXYRZ-UHFFFAOYSA-N 438.469 0.836 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)CCO1 589315030 VUDFQZXTFIJOHF-HNNXBMFYSA-N 429.502 0.773 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN3C(=O)c4ccccc4C3=O)CC2)o1 611093599 GWQHDRIWJGHJGM-UHFFFAOYSA-N 436.472 0.731 30 20 ICED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 613103331 ZMJUYNKCVUIBOO-OAHLLOKOSA-N 426.433 0.647 30 20 ICED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 727010236 RTBALPKVCQGFRQ-PXNSSMCTSA-N 435.502 0.549 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 728158286 NEBAJVHRZPHPIW-BLVKFPJESA-N 436.465 0.758 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 728466772 RAYPSKRKYJHZKF-SPJFCROGSA-N 449.533 0.565 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)CC1 728589993 QOANUQGQRWQINS-UHFFFAOYSA-N 436.921 0.953 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 732154118 OPJYTNYDGHWQQY-AOMYARPXSA-N 426.429 0.663 30 20 ICED CN(C(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)C1CCCCC1 746216276 WHRKCRCRALSMBT-DQRAZIAOSA-N 431.537 0.838 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 747279475 XRMVXUXHCNURDW-MRXNPFEDSA-N 432.546 0.430 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 747854166 GVAUHUSZTWKGNY-UHFFFAOYSA-N 426.926 0.789 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cn1C 750619113 JWEZXOXESLIKSU-AWEZNQCLSA-N 433.490 0.885 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758051532 MQYRIMMVMQGURZ-HNNXBMFYSA-N 426.523 0.656 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 758645868 UDPYRBUHBHYGLO-TZMCWYRMSA-N 435.506 0.914 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(-n2cnnn2)ccc1Cl 761171037 KKLDKRDRAWLSCO-ZCXUNETKSA-N 445.823 0.714 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 763453912 OZIXZSKZNIIXEW-UHFFFAOYSA-N 440.500 0.951 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 767633485 CASFKWRYSVEPPA-LBPRGKRZSA-N 434.430 0.387 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2Cl)c1=O 782599952 FOBGJSGNZMCJFZ-LLVKDONJSA-N 441.962 0.925 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 783481550 PVUOEEPNBXXUBZ-HOTGVXAUSA-N 438.477 0.971 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 783481963 SFOLUBULBHHJLG-FUHIMQAGSA-N 447.557 0.883 30 20 ICED C[C@@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)NC1(C#N)CCC1 787686321 PXRATEKLFUFKFI-SECBINFHSA-N 437.254 0.387 30 20 ICED N#Cc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 795348507 ZXLUXSMMOOWEBC-ZDUSSCGKSA-N 431.923 0.486 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(NS(C)(=O)=O)C1 801460906 YIQSRMBMNRBCRQ-SSDMNJCBSA-N 442.563 0.336 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1cnc2n1CCC2)/N=C1/NS(=O)(=O)c2ccccc21 802210951 SFROTLFCLONSHD-NSHDSACASA-N 437.503 0.152 30 20 ICED C=CCCN(OCc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 804645516 RTFYZHVAVUBSDJ-QTQZEZTPSA-N 427.461 0.952 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)cc1Br 809124169 WUNLQMBEPULRKL-UHFFFAOYSA-N 440.272 0.300 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 810463344 UANDAAMXUAHKTQ-GYQDZVIGSA-N 444.517 0.835 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1Cc1ccon1 812280023 ZOASNEOMDHOIID-UHFFFAOYSA-N 448.455 0.646 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c(C)c1 838956516 NBBOXXUDXNUFHB-UHFFFAOYSA-N 449.536 0.611 30 20 ICED CC(=NNC(=S)NCCCN1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 915942284 KUPFQGMYAVNWIO-UHFFFAOYSA-N 427.596 0.847 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2=O)cc1 1116067697 AWYKDQCIOOYTDZ-OAHLLOKOSA-N 439.501 0.546 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)cn1 1298818860 NZWVOSBRASQDBJ-MRXNPFEDSA-N 442.505 0.386 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1319689813 FWGSQYNUCRJVRJ-UHFFFAOYSA-N 431.489 0.829 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1541803701 LFMOTNFGTLLCBP-CZUORRHYSA-N 437.501 0.932 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1596832550 WKMZMSZJUNPXEA-HOCLYGCPSA-N 426.543 0.633 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1677881491 KATWOMGDNVFQBN-UHFFFAOYSA-N 437.504 0.839 30 20 ICED Cn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1711256216 MUASYQFAANAXSY-LPHOPBHVSA-N 448.553 0.523 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1750949155 OLXHZHMBGQEEGO-LJQANCHMSA-N 449.512 0.837 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCS1 1761498290 DBLBFFCHTSHITP-CWRNSKLLSA-N 439.611 0.960 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1778973098 ZCWLGPMWMNGQHG-QVKFZJNVSA-N 429.477 0.452 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069746 XBRSYXRLLYYDHH-AUSIDOKSSA-N 433.549 0.820 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779255700 SPXBSTXUGSNWSN-MBSDFSHPSA-N 433.549 0.820 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779362357 FAJYAUXALYMZIL-LTFINTTJSA-N 446.508 0.487 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780953021 QMTCQBFYUPICOB-QFIPXVFZSA-N 441.488 0.611 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255127 RRSCRYKOPUJBOG-GWJPWWOOSA-N 427.501 0.854 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)C(F)(F)F 1781808314 UIFGCYFEWATDGB-FZKQIMNGSA-N 429.395 0.544 30 20 ICED C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782462 WGOBHWSHQGKPDN-LRDNONRASA-N 445.582 0.799 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784511374 XJQAUJCCWHLWLF-ULQDDVLXSA-N 428.551 0.855 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1785425376 NGWVEGSGRZGEFR-PDIWNELESA-N 449.548 0.990 30 20 ICED CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)o1 1785886441 QMZPGMHXEVOTCT-LEDXTBFGSA-N 449.508 0.863 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788658703 MQEFOCFYMHAXHK-YCYHVSFISA-N 432.477 0.910 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 1788661287 JQWGYUVYKPQVNX-WCSKPKODSA-N 433.509 0.851 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1788681129 NTALGOIHTJGAPS-DNYSBMAMSA-N 427.461 0.547 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)c1 1791647726 HUTPQDKNEFGNMM-IEZWGBDMSA-N 426.452 0.972 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426399 ZEYKSBNOAWAUBA-WKZKVMAPSA-N 443.500 0.696 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])c(OC)c1)C2 1793345831 SGPMUOXYTZPQBY-WGVRVLLMSA-N 445.472 0.774 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H](O)c1ccccc1 1795379822 RCNDTLCQWKWFGD-LEQHKDOCSA-N 431.489 0.839 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415017 STPFSGVKRWZSBI-HGKCTWBKSA-N 433.530 0.772 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c1Cl 1795635057 NADQFGQEJNQDQH-HRJSJKBJSA-N 433.896 0.008 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796747217 GUZSUTQWNQHTHN-XPCVCDNBSA-N 441.326 0.977 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538814 YQAVIDKWUUZLOU-ZJOBFFGXSA-N 427.457 0.616 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797658283 VRVZJONQXQCRNP-JONQDZQNSA-N 448.483 0.861 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1800183245 GTFUQAPWZMDXSH-RMFSNUHRSA-N 443.573 0.564 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804191298 ZZHUMUNMWFTKHY-RXVVDRJESA-N 446.467 0.825 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806617624 SIYYQHGNSYNYCC-MZKRTTBSSA-N 433.512 0.732 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1806621896 ZMZJLPQLSWHICV-SIKLNZKXSA-N 448.479 0.682 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807611732 YKHYRXGURGPGQA-VMYTUHFASA-N 442.480 0.303 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810361473 RTBJZFPQRQWNDK-IGZFBAMMSA-N 431.493 0.751 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc(O)n3c2CCCC3)[C@@H]1c1cccnc1 1810592735 BTEZWQDJICWQDO-QRWLVFNGSA-N 437.456 0.728 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819391909 YUCYBVSZHYREQX-VCEKOBTFSA-N 444.496 0.472 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CS(C)(=O)=O)CC1 1826626613 AOBKSDASOSKWAJ-QGZVFWFLSA-N 426.583 0.933 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828957216 IWUKDSDZGKQCOQ-ROUUACIJSA-N 436.461 0.189 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C(=O)OCc1ccccc1 1829175372 BDGMRGRGUYRBOL-HSZRJFAPSA-N 449.467 0.469 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3O)C2)C1 1829773251 DWRNPGVCWHQWBP-FUMRIQNTSA-N 443.500 0.629 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1829907642 NDZYIGSGJBNRRJ-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830219367 CVDZVZVPBWQEHO-JTHBVZDNSA-N 430.501 0.989 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1830243738 VWQKKRJQUPIXJO-QHCPKHFHSA-N 428.485 0.813 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830617762 UTUNAFFYZQRHHF-REWPJTCUSA-N 429.517 0.964 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c(C#N)c1 1830871943 OJWUIAVDBOMQAG-JTHBVZDNSA-N 445.516 0.583 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1831387015 DAOYIHNYMYDHPY-MBSDFSHPSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1831387610 RGHHIGGNXURMCC-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1831388729 WUDKRHKVYUHXBV-DNVFCKCGSA-N 444.532 0.486 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831392917 IEQGNIPGNCABMI-UGJQDOKGSA-N 446.525 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1831396562 FSMGGTZWOAXNJS-GAJHUEQPSA-N 446.500 0.812 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1831434477 YBZSOVLZNCYCGV-RFWXGWTQSA-N 432.517 0.638 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831452408 QLGPTMBDNJOXCT-LAUBAEHRSA-N 442.578 0.892 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832062151 KFZRTYNYJRQEBW-YNAMOWOFSA-N 438.525 0.066 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977936 PHSKIIAVRACSRF-SNLHJCLZSA-N 433.465 0.076 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCc5sccc5C4)C3)C2)CC1 1835340927 IZCZBCLGKUOUPF-JOCHJYFZSA-N 444.557 0.866 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352351 VHWFBXMYGTXJJJ-QFIPXVFZSA-N 448.520 0.924 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835657547 WTTAGFZTMRPDIT-HSZRJFAPSA-N 428.533 0.947 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835901456 LUUHQDHUDDROLY-REWPJTCUSA-N 428.533 0.945 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836967460 VZCIDMSDSOBABH-KKSFZXQISA-N 434.493 0.327 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1837070608 KNXHSPQTGKYPDK-KRWDZBQOSA-N 427.567 0.967 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193381 IYYBFWJHVGDFCH-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2)C1 1837220959 GCDAHILEIOUQPP-NPPFBWRTSA-N 440.537 0.604 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837373017 OEAFFBUJCCWUDS-FQEVSTJZSA-N 431.880 0.866 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1837405584 WCPFODBSTBCLLJ-AOMKIAJQSA-N 440.537 0.605 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524352 GCROHAREWLNFLA-YNAMOWOFSA-N 438.525 0.066 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531068 BHEAGBQBABRRTK-ZMTYOYNLSA-N 447.492 0.384 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837566719 IIJCRGWFNZZXBC-WHEDMDOKSA-N 445.432 0.705 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837641197 GOSKAGPGCYHWCQ-XXBNENTESA-N 437.500 0.422 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)n1cnnn1 1838392230 QFXDCTBVMQSRAL-HAFIMRKLSA-N 446.556 0.704 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)COCCOCCOCCOC)CC2)CC1 1838744472 RQALTXVZCWEHNU-UHFFFAOYSA-N 440.537 0.314 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838904605 PFHYUPIRWKCJJD-HSZRJFAPSA-N 426.517 0.970 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905901 FHHVEHCIFRRTLN-UWJYYQICSA-N 429.477 0.075 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949579 JPZHPBKRCMXJER-KKSFZXQISA-N 449.529 0.309 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1839175264 YJYXWUNXYGPQBB-JOCHJYFZSA-N 447.488 0.670 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839344208 PVOWNPQQIYTAPT-JOCHJYFZSA-N 428.489 0.507 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1839419612 LJPHBAKRULJFME-QFIPXVFZSA-N 440.431 0.715 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1840277025 LVVXOZIIXBZWGE-JTSKRJEESA-N 435.521 0.723 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 11334660 LVPBCRGWCBXQKZ-NRFANRHFSA-N 449.529 0.992 30 20 ICED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 57937525 YQRRENOPEYAXJF-UHFFFAOYSA-N 436.534 0.939 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 410412986 HFNHYHCDNZDTRM-YOEHRIQHSA-N 425.559 0.523 30 20 ICED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 447911652 FGSMXOBCXRQUBI-RDTXWAMCSA-N 443.504 0.329 30 20 ICED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 471237858 FAWAMIGDIHYIGO-LJQANCHMSA-N 428.514 0.897 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2Cc2ccon2)CC1 480956569 UYAGIRFJXCLYPB-UHFFFAOYSA-N 449.536 0.613 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 481283657 ZWDKVSIBGDPVAY-CRAIPNDOSA-N 435.550 0.284 30 20 ICED COc1cc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 482851320 CFJXWPSBACVLNG-CYBMUJFWSA-N 446.485 0.997 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2=O)cc1 486480745 REFNGFBHBQFEDT-RTBURBONSA-N 426.521 0.546 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 507347211 FKMRDXDWLFWJPD-QGZVFWFLSA-N 446.533 0.817 30 20 ICED CCS(=O)(=O)NCCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 508299672 OHSMVVPMEQTVKV-UHFFFAOYSA-N 436.494 0.967 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508808917 IWBHDVZZHOELQH-CVEARBPZSA-N 439.586 0.207 30 20 ICED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508930508 LZCICAADMANKDI-UHFFFAOYSA-N 439.480 0.387 30 20 ICED COC(=O)C[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccn1 509138707 MJLOWLLXDHEUQC-NRFANRHFSA-N 426.477 0.966 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 509547470 ZFDMAUZGNOGVAS-UHFFFAOYSA-N 442.545 0.931 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 512890820 MSGFLCCQBBISLX-UHFFFAOYSA-N 434.430 0.949 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)CCO1 515438893 BLAPVQZKTOGLMB-KRWDZBQOSA-N 449.515 0.538 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)CC1 519565194 WITDOAKWQKTTJO-GOSISDBHSA-N 427.505 0.047 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1C1CC1 531815472 WKJPRENKRZQWEK-LBPRGKRZSA-N 427.482 0.434 30 20 ICED C=CCc1ccc(OC[C@H](O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(OC)c1 533056969 KSOWKLRCDCHUBY-GUDVDZBRSA-N 440.562 0.251 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)c1C 536440284 RKMRVKTXQRHDDB-SFHVURJKSA-N 437.504 0.755 30 20 ICED COc1ccc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1S(N)(=O)=O 537707125 TVZZMXSMWGTXPH-UHFFFAOYSA-N 440.485 0.955 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 549668323 VJWLZUQJYZHXFS-INIZCTEOSA-N 439.586 0.209 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 554690694 QNUDWMVSSHPHOX-ZJBJCVSYSA-N 426.473 0.624 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)n(C)n1 556067580 UIRRZJWZGRTULM-QGZVFWFLSA-N 447.503 1.213 30 20 ICED COc1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(S(C)(=O)=O)c1 559984324 DJNKCSWQLPPIGE-HNNXBMFYSA-N 444.469 0.984 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 560512356 HZLBBVCIISNEHN-UHFFFAOYSA-N 434.562 0.922 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 571783506 FZXBCWFTNKESRT-IAGOWNOFSA-N 438.550 0.917 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 572196003 DPIOFOAEKSQWQZ-QFBILLFUSA-N 432.484 0.912 30 20 ICED COc1cc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)cc(OC)c1 588127492 JFWQZJAUZIYGOA-GOSISDBHSA-N 429.521 0.498 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 590998073 CCXMLIYFIXCCSV-LBPRGKRZSA-N 428.470 0.807 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C#N 604002224 ZPSQCYWIHUPTJQ-UHFFFAOYSA-N 431.433 0.928 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 605411916 DFJIUHADAVULMC-QGZVFWFLSA-N 429.521 0.999 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)cc3F)CC2)cn1 610162462 DJMGWAGTIUXYNO-UHFFFAOYSA-N 427.483 0.562 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 610594708 ZOENGIHBELPLRR-BTYIYWSLSA-N 425.493 0.942 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n(C)c1=O 611551993 YRNPDUPGJCMKSF-KRWDZBQOSA-N 425.468 0.455 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 619809871 KVAYLMVMZZINPF-GOSISDBHSA-N 448.545 0.980 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)C1CC(=O)NC(=O)C1)CCCC2 726817864 DUANTFYOHPIVBP-AWEZNQCLSA-N 442.472 0.952 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)CC1 728536385 YJKNUFXUGDQWKK-SFHVURJKSA-N 446.573 0.757 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCS(C)(=O)=O 729672830 KGQNDHPBMKZDSM-UHFFFAOYSA-N 446.550 0.617 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729675009 QGWOYXYIACMTDE-UHFFFAOYSA-N 425.557 0.044 30 20 ICED C#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 744371000 KNKQZXVIPSBGAD-UHFFFAOYSA-N 432.546 0.321 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC 744598293 WWHPWGBINFPLIQ-ASSNKEHSSA-N 428.445 0.929 30 20 ICED C#CCN1CCN(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 748651730 MMUVERKBIXYTFO-UHFFFAOYSA-N 435.575 0.963 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 750299615 BBXKYWZGOCXQTK-OQCHKFKFSA-N 443.551 0.655 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C 755550478 WALJWYRDENHLKN-GJZGRUSLSA-N 434.497 0.960 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OCCOC)cc2)c1=O 758060749 LRFSDBALMDJPJD-UHFFFAOYSA-N 425.510 0.597 30 20 ICED COC(=O)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 759008337 ZUZJPEFLQNHGRB-AWEZNQCLSA-N 437.474 0.134 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 760973671 JMDMXOPZPLBBFS-CYBMUJFWSA-N 446.489 0.357 30 20 ICED CC#CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 762512631 SSQDYVWSSNXQNC-YGCDDZCOSA-N 434.543 0.826 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)s1 765146877 XXSRWNBOEVDJRI-UHFFFAOYSA-N 427.511 0.837 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945952 UIGPDUBIAMJBAZ-LBPRGKRZSA-N 444.444 0.244 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780206852 SPURJQJGMKCUOJ-BLVKFPJESA-N 429.454 0.760 30 20 ICED O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)CCN1 781101628 CABGLIFKRJTLQG-MRXNPFEDSA-N 433.509 0.858 30 20 ICED Cn1cnn(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 781265053 VMHZMIUGSRDLIX-AWEZNQCLSA-N 442.476 0.495 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ncnc3ccsc23)CC1 787756723 QYFMSDWELIEUKD-UHFFFAOYSA-N 436.501 0.835 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)o1 796278584 IISAZFXEMNJZHB-IUODEOHRSA-N 438.506 0.648 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 798145137 GYDGIEHSUCXVSJ-AWEZNQCLSA-N 447.521 0.307 30 20 ICED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 802509688 MAJMRINBKXFVHR-UHFFFAOYSA-N 439.520 0.444 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c(F)c1 802559900 YZEQFIHFTQAEFK-UHFFFAOYSA-N 443.472 0.784 30 20 ICED CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 804119931 MLWFXMHEDZAOME-UHFFFAOYSA-N 449.515 0.466 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 804274255 BCULUPLZHNMJFB-MVZUJROASA-N 448.501 0.687 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 814573994 VYKJTICPHVZTKU-MJGOQNOKSA-N 449.529 0.976 30 20 ICED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cn2)CC1 815592321 GGHPUDYQJHPBCE-UHFFFAOYSA-N 445.524 0.602 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1 915386303 ILQORUWSVAQOPI-UHFFFAOYSA-N 441.531 0.718 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 916703620 NWPJIAFXFUNNQH-UHFFFAOYSA-N 440.481 0.157 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NC3CC3)CC2)o1 917426426 LGIBWCBZMAIBKI-AWEZNQCLSA-N 437.474 0.844 30 20 ICED CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1299565627 WNWQYHPVAHFMLG-HUUCEWRRSA-N 426.543 0.776 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)COc2ccccc21 1318077425 MTVIVOBMGDHDLV-UHFFFAOYSA-N 428.470 0.657 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N(C)C)CCOCC1 1360672356 PUHRSLNZYPBWKN-OAHLLOKOSA-N 439.586 0.739 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1519123719 UEWUCHVUXLSKAC-QGZVFWFLSA-N 441.536 0.974 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1696587024 YZKCHBCRENILNM-MRXNPFEDSA-N 439.476 0.848 30 20 ICED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1707492449 JEIVUENWCYPHHB-MAUKXSAKSA-N 444.565 0.817 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1741924131 SXLMBDNHDHRHDY-WBMJQRKESA-N 448.546 0.155 30 20 ICED Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1777743011 RLXXVTXTRNKQLW-DYESRHJHSA-N 429.521 0.939 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1778877557 AGFYJTVAKVYHAP-NQIIRXRSSA-N 439.578 0.315 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1779037907 LKUNCWACGPFYTH-NRFANRHFSA-N 429.546 0.794 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067179 QHSVGUMQIOKHHN-IFMALSPDSA-N 436.505 0.131 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779102436 YCXAUUDNUVSBLJ-SNLHJCLZSA-N 433.465 0.458 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237908 VOSSDJVTDGMOBY-GAJHUEQPSA-N 446.548 0.690 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1781093834 BRLLDTNFTBWZOI-CYFREDJKSA-N 439.560 0.832 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784384955 AVNTUTVCWIIZDP-BXWFABGCSA-N 425.489 0.023 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)c(O)n1 1785774460 AEINYBSPHVPMDO-WBAXXEDZSA-N 430.505 0.765 30 20 ICED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1785864181 NLGNAZMKMQCNKR-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c1 1786725116 PTBBGDYOJWJNHH-QRFRQXIXSA-N 430.480 0.623 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788746688 PUNLTYJHENXFKS-HVMFNXBNSA-N 431.533 0.962 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCCC(=O)OC)C2 1792490331 ODPJTWRCHYITRR-KIOJXLHQSA-N 435.521 0.558 30 20 ICED 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)CC1)C2 1793086110 UJOSOEKOIFYEPC-FZKCQIBNSA-N 436.509 0.155 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1793598634 ARQMWPNIGYOONK-LXTVHRRPSA-N 435.481 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794480103 FMUAPSLGDFOYOF-MIFYACCESA-N 432.500 0.911 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1CS(C)(=O)=O 1794720086 AYONAXVDWJLTDZ-WCXIOVBPSA-N 433.530 0.916 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c(O)n1 1794826377 PEUSSSSEWCOCFE-OIMFZILRSA-N 444.532 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796747522 XGVNXJVXAAAQJT-XPCVCDNBSA-N 439.310 0.424 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742949 KYZTZSXXJVRREK-HBLVUOASSA-N 446.548 0.803 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1797809780 GBWVTHSEFHZKON-INDWTEBFSA-N 447.488 0.890 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798370009 RDKJYCOKPDLXTM-LXTVHRRPSA-N 433.509 0.970 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1 1798370682 PYVQXRDWECIXMJ-CWPLJXCYSA-N 428.489 0.387 30 20 ICED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)[C@H]1SC(=N)NC1=O 1798431744 YFOHXALBVDEPEQ-YWCIHULYSA-N 434.566 0.899 30 20 ICED CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324767 WREWTKXIXFCDSY-INUXOSNVSA-N 429.448 0.949 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c1 1799801846 MVVQKZDWWWYXPZ-HGKCTWBKSA-N 435.440 0.872 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1800988805 TZQJZJUTBSVVOC-HGTKMLMNSA-N 431.555 0.436 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1801762312 FYRWSXLDJGEFMT-HKAGCZBPSA-N 427.505 0.110 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1806768578 LITIZNAVKJFZDM-GHTZIAJQSA-N 447.557 0.831 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1807194653 UAIBARRYDDSPIG-SVFBPWRDSA-N 434.500 0.866 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1808439314 LPYXVTSEDQZVPD-QFBILLFUSA-N 427.465 0.284 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)O 1810285147 YJWJAGMXJWODGB-CLOKVKOJSA-N 444.536 0.622 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810327327 NCZFADILXAXQLC-NQIIRXRSSA-N 447.557 0.831 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819391906 YUCYBVSZHYREQX-FBBFJSPUSA-N 444.496 0.472 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751772 YRRGLYKBIKPLSX-RWXKGHOMSA-N 434.497 0.654 30 20 ICED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1823886078 RYOQYGXDOMTSEN-OAHLLOKOSA-N 426.481 0.596 30 20 ICED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1)C(F)(F)F 1824677197 MGEOUUVKHQDVSY-QMMMGPOBSA-N 434.396 0.717 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826815848 KEVIHZYJPIUNJG-VTFYZGIISA-N 433.553 0.057 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1826891780 RNWAYLTXLQBQOH-QGZVFWFLSA-N 446.552 0.440 30 20 ICED CNC(=O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803446 PXIWQZKAJHWNPQ-JOCHJYFZSA-N 441.488 0.488 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1829773153 CAUJJRULTNECBW-QDFBPKLPSA-N 442.516 0.500 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831174739 GTRMYCSWQQUINP-UTKZUKDTSA-N 425.526 0.340 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831207926 AQXKSUJYHGBXST-NZQKXSOJSA-N 426.469 0.696 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1831392125 ZZRSTYGHWZLZFM-VGSWGCGISA-N 431.489 0.507 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1831392420 LJRGBDWWXOUVJD-VLIAUNLRSA-N 440.447 0.466 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831396009 FYRMPUMCRXVREK-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1833464345 DBQFAHRGRIJGAO-SFHVURJKSA-N 428.533 0.458 30 20 ICED O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)O1 1833513140 OYGJGLRRZUSRKP-FSTGKYBXSA-N 434.541 0.138 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1)C(F)(F)F 1833712861 MHYDFAIYKKLQMW-UHFFFAOYSA-N 445.442 0.228 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833787729 WEQUPCJCXZNVCF-OJJSKHJLSA-N 447.879 0.912 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)c1 1834443113 NYXVXBHWQSZZFP-FNEOHHHZSA-N 444.513 0.991 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834673006 ZHIHMXMWWTWAIT-IBGZPJMESA-N 437.585 0.134 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765210 AXYPYSSBANRPRZ-VFNWGFHPSA-N 432.452 0.314 30 20 ICED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cs1 1835099060 YIRKGNROAPQYCJ-OAQYLSRUSA-N 426.498 0.847 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc1 1835310165 QCXXJVFQXPRYME-GCJKJVERSA-N 426.473 0.101 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835717547 ZTBRXHULMYULQB-GOSISDBHSA-N 431.537 0.528 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108812 ATUFOZVPRSWIEG-OXQOHEQNSA-N 436.534 0.616 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)c1 1836115484 VAEBXXZNQWIGBI-HXUWFJFHSA-N 442.501 0.539 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1837398757 HGLDBRUBDPFCEA-PNLZDCPESA-N 447.536 0.307 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1837533469 VXNQUBFASDHINZ-HUPWQOHGSA-N 441.550 0.867 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1837615308 GQFWPNPCORNHEL-GBXCKJPGSA-N 438.480 0.728 30 20 ICED N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837793481 DDPZROZNWGAZMD-UHFFFAOYSA-N 427.465 0.334 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]nc4C)C3)C2)c1 1838582210 GKPNEKYZVLYPMX-JOCHJYFZSA-N 439.472 0.982 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838594886 AMGLCXPQAYMLGG-QKKBWIMNSA-N 448.907 0.793 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951033 UEHRVMKPDLSZSG-QFIPXVFZSA-N 428.489 0.400 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839224682 NOLDGLLQFRADEI-HRAATJIYSA-N 444.492 0.600 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237177 SGOZJSUGLACDPO-NRFANRHFSA-N 447.612 0.786 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn(C)cc4c3)CCO2)C1 1839504131 MEDKZEFUNUYJFO-HXOBKFHXSA-N 440.500 0.682 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839652686 RABOCJZQHRVNTE-NRFANRHFSA-N 440.610 0.919 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839666040 LXSWGLWSNFGAGU-AOMKIAJQSA-N 443.504 0.206 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840160351 FNYVNLAHQHNPRH-MGPUTAFESA-N 431.518 0.656 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840174390 AGZITVIBSPYBIK-KKSFZXQISA-N 441.525 0.295 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840176547 FVPWAJAACWAQOO-WDSOQIARSA-N 432.539 0.013 30 20 ICED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840309819 LMODYMZVYBOXAQ-GXQJITEDSA-N 425.482 0.522 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1841471370 TYVSALSPMWQOSY-GOSISDBHSA-N 442.472 0.939 30 20 ICED Cc1c(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)cn2[nH]cnc(=O)c12 1842920105 MDHITAQHIJNPHF-UHFFFAOYSA-N 425.493 0.430 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846426071 WQNXZVLLMNQNAV-CVEARBPZSA-N 432.521 0.633 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1847803713 ZTYUJNOWOMJBJN-VLMPBXDWSA-N 435.521 0.598 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 14731352 AAINFPCFMVKSTO-UHFFFAOYSA-N 439.501 0.237 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 427705273 HVPBJKIDCAPSKF-MRXNPFEDSA-N 429.564 0.342 30 20 ICED COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 435827418 PIJNNQTYKIZZBO-ZDUSSCGKSA-N 437.460 0.991 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437041644 XAHRVXKOTVIGOU-AZUAARDMSA-N 444.532 0.785 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 443007217 MGLYLRNQAPAAQE-ZDUSSCGKSA-N 436.519 0.156 30 20 ICED CCCc1c(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cnn1-c1cccc(C#N)c1 443735744 UUTUCZBHQVLWOK-UHFFFAOYSA-N 437.460 0.693 30 20 ICED Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@H]2CO)cn1 444746690 GDVSZGIDLRFNKC-ILWGZMRPSA-N 440.523 0.976 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 445074225 WKGNIULABFJKJQ-NSHDSACASA-N 426.394 0.538 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446529749 KDGDUWLZAJSQNR-UHFFFAOYSA-N 430.509 0.240 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 446800105 BOKBSEULQMLXIH-HNNXBMFYSA-N 431.460 0.664 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 465485115 XWXJMSOEFDWLDE-CYBMUJFWSA-N 427.490 0.438 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 477625069 IHUAZSQYRXALQH-CYBMUJFWSA-N 442.453 0.754 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCCO1 479361492 HLTBILUYUSJPEX-INIZCTEOSA-N 440.525 0.688 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 482174046 GCXRENPBNGVHBS-QGZVFWFLSA-N 447.561 0.382 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)c(OC)c1 497619240 JHTJFVBSRQLBCK-HXUWFJFHSA-N 433.549 0.640 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)cn1 497821170 RLFSSJPUHKWHMV-PMACEKPBSA-N 435.532 0.742 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506589741 GRUUZOMCZVJSID-BJJXKVORSA-N 428.536 0.059 30 20 ICED COc1cc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 507408520 XCLGTNJGFFUKAU-UHFFFAOYSA-N 432.458 0.609 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CCC1)c(=O)n2Cc1ccccc1 522839489 IGGWAZPAPHZDIU-UHFFFAOYSA-N 436.472 0.617 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(CC)cc2)c1=O 523089634 UPZMUZCATLNKJG-UHFFFAOYSA-N 429.542 0.774 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 524282218 WPFCFQXDYZMSRS-UHFFFAOYSA-N 426.542 0.794 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@H]3C(N)=O)n2)c(Cl)c1 543926087 YJQOBGBIUZUGDI-INIZCTEOSA-N 443.895 0.792 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 546878109 FIVAHNZTLPFOGQ-ZDUSSCGKSA-N 449.407 0.646 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 552111690 OKEXVFXNONAEPO-LBPRGKRZSA-N 440.540 0.951 30 20 ICED C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 558982028 WPWGGZVFQDGDCQ-OAHLLOKOSA-N 426.477 0.685 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc21 561098954 IVMDSTGUDVPELV-HNNXBMFYSA-N 449.471 0.937 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 565321437 OYQDJMYSXCMTIN-GFCCVEGCSA-N 429.296 0.799 30 20 ICED C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 566919574 SKWJAQHIIZPBOA-UHFFFAOYSA-N 438.484 0.725 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 568655651 NSLUVFUMNANGEB-UHFFFAOYSA-N 434.500 0.755 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3nnnn3-c3ccccc3)n2)c(F)c1 570998630 DYUBCVSGJNCEHT-UHFFFAOYSA-N 431.391 1.114 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CC(N)=O 580028540 XRDVBFIPDDNXHC-UHFFFAOYSA-N 442.444 0.281 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 585722434 NTGBHVIAHZKWBM-QGZVFWFLSA-N 444.511 0.109 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)nc1 587659800 ZQACUUNITHOLHW-WOJBJXKFSA-N 440.548 0.798 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 609416723 VDHDVMLLJVJQQG-UHFFFAOYSA-N 440.569 0.498 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(Cl)cccc2OC)c1=O 609822527 FZMDIORIASPKRG-UHFFFAOYSA-N 433.917 0.954 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 609942222 OJRKDSRWVGRRJS-UHFFFAOYSA-N 442.501 0.290 30 20 ICED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 616476530 ZRELIHHUMIVFCC-UHFFFAOYSA-N 444.491 0.974 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186563 KHXIJFHJIKJLNO-RDTXWAMCSA-N 425.445 0.963 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730722055 DAFAECPDFPUOTN-FEWXFKJYSA-N 427.490 0.489 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 732056835 DEMFYHFLDOKOIS-IAGOWNOFSA-N 436.534 0.630 30 20 ICED N#CCOc1ccc(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 732095722 XBNFREDLWKCTIW-IBGZPJMESA-N 435.546 0.869 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CC)c2)c1=O 732561841 UTANOTKLQLSZCR-UHFFFAOYSA-N 431.562 0.828 30 20 ICED CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 733201677 XKZUYOYIOGYJDD-DGCLKSJQSA-N 428.536 0.981 30 20 ICED N#CCSc1ccccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 736165588 CWJOYIZXSZHPAB-HNNXBMFYSA-N 436.559 0.363 30 20 ICED CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 752141454 YNIRVFIVZAZHAO-ACIHENLCSA-N 438.506 0.753 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)cc1 754170597 ZBYLUIIWNZNTFJ-UHFFFAOYSA-N 425.466 0.966 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754773103 PNNVPMONHRGGQQ-LBPRGKRZSA-N 436.309 0.550 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 758074513 AHOPVFYZRQXWFY-IBGZPJMESA-N 449.532 0.882 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758078627 QMKLFVVVRZOXMR-UHFFFAOYSA-N 435.505 0.876 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(Cn3ccc(C)c(C#N)c3=O)CC2)cc1[N+](=O)[O-] 758182726 TXGWJVYJBTWYMB-UHFFFAOYSA-N 447.473 0.909 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 758764408 WFUULFJTWOVJDL-DLBZAZTESA-N 434.541 0.695 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758954333 KSVPBNGIBPAOIZ-UHFFFAOYSA-N 439.493 0.700 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)ccc1F 759466416 XTHTZLFFMKTFOI-UHFFFAOYSA-N 433.527 0.786 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCn1nc2ccccn2c1=O 766352586 HGEROCBDZHUFJN-AWEZNQCLSA-N 429.458 0.668 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 767621914 MKRMVYJSMGLZNS-CJLVFECKSA-N 446.493 0.279 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 771566106 GFGPJYGYXOFXSD-GOSISDBHSA-N 432.454 0.956 30 20 ICED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 773949354 WHTLIEGYSMSTGN-INIZCTEOSA-N 448.545 0.726 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3sccc3S(=O)(=O)N3CCOCC3)nc12 782589892 WCRRTGSAZKXSLP-UHFFFAOYSA-N 449.470 0.746 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 783480004 IASOUYCYLDECSK-INIZCTEOSA-N 447.513 0.661 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 787374858 IDARMNPULKQEJQ-QVIQCZGBSA-N 443.522 0.844 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCn2cc(C(=O)OC)nn2)C1=O 790001609 OLMDIOBQDSPANB-CQSZACIVSA-N 434.453 0.972 30 20 ICED COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802458157 PJCUFRSRFXLVEF-WMLDXEAASA-N 434.522 0.984 30 20 ICED C=C(C)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802572880 KTVSHLNVPGTMPK-MRXNPFEDSA-N 445.611 0.692 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 803403118 ASQDVRYKXUKMKK-UHFFFAOYSA-N 440.478 0.801 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)NC(=O)NCC 804944465 QVUOTXGSOZIKLT-ASSNKEHSSA-N 428.445 0.929 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(F)c1 807303239 FXGRVDWQBQOCLG-LLVKDONJSA-N 427.351 0.823 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CN1CCN(C3CC3)[C@@H](C#N)C1)C2=O 812283702 NJOBFQNTGGHZAJ-HRAATJIYSA-N 432.525 0.938 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccnc3N3CCOCC3)CC2)o1 915381867 ISEUXEPCRZVKAR-UHFFFAOYSA-N 440.460 0.592 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1150550818 MWFVESLXTHZIQV-UHFFFAOYSA-N 429.454 0.999 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CNS(=O)(=O)CCOC(C)C)c(=O)c1C#N 1183325989 YKBSWDOVHPXZSU-UHFFFAOYSA-N 449.327 0.514 30 20 ICED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)OC 1301024020 VYEXOIUWEMRTGH-KKUMJFAQSA-N 430.531 0.011 30 20 ICED CN1CCN(C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1311866470 XVQPQPOUCBVYGE-GOSISDBHSA-N 425.493 0.108 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 1478603778 KXNSKAPJJQWRKJ-OCCSQVGLSA-N 429.403 0.407 30 20 ICED CC(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1509281079 SVLQHEUIGYXCJZ-JKSUJKDBSA-N 426.543 0.776 30 20 ICED COc1cc2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]c2c(OC)c1OC 1523842939 OSOQCJXGJFOJNA-LBPRGKRZSA-N 435.458 0.773 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1545776753 KSPLNSHQJHXLKN-LSDHHAIUSA-N 444.517 0.358 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1555079191 URMRVVIUFIAXPK-KRWDZBQOSA-N 440.504 0.888 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1555389902 STAKGSCGVVWXGW-SFHVURJKSA-N 426.477 0.527 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1696501364 OPWHBEZSJLHGIA-UHFFFAOYSA-N 433.538 0.717 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1729729462 OWISVMNSMLNAIC-KRWDZBQOSA-N 438.536 0.999 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1749951327 PZLXLABABOIOML-QGZVFWFLSA-N 446.533 0.878 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1767064229 TZSPNARDBLLJKH-YLJYHZDGSA-N 431.518 0.840 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1779273165 NJDWARLMNJHSJU-NGNCDXOMSA-N 429.521 0.711 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361003 USDVSJMJIVXFDP-KRWDZBQOSA-N 443.430 0.549 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780410227 MZMOITOOPCRSJV-MIZPHKNDSA-N 442.516 0.837 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccn1 1782010074 JJHTYDGKCIDZNN-IIBYNOLFSA-N 428.445 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1784539371 MHNKLNDJGGUEPE-MIPIJZKVSA-N 428.489 0.537 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1785418573 UMOCPNJBEOYPNL-JOCHJYFZSA-N 449.548 0.992 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785598829 ZRMBSPPUIRASSM-MQNAVGNWSA-N 448.564 0.847 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1785631770 JGMIKLPSZOYLSG-HTAPYJJXSA-N 428.489 0.387 30 20 ICED O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791558942 NISNCAUUQWOGEL-ILYCDZHGSA-N 432.506 0.589 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829831 TWLHRYURGLVDML-HCBXPFHNSA-N 426.517 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1793346438 RHCHGMNDDWCAKY-IHSNIMORSA-N 444.488 0.902 30 20 ICED Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795667152 OQOHGIPBNPEZBV-YPNLISEHSA-N 437.522 0.766 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798518478 GTEFEUMKUHDEJE-XJZLKLOZSA-N 436.534 0.762 30 20 ICED NC(=O)c1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1799040473 SHDSGMLGKIBADT-BLRDNKIZSA-N 430.465 0.356 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1799397602 SSZRYZKPRGQWMF-AFIMGQEJSA-N 449.464 0.147 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(O)ccc1O 1799793638 LSPLKOIBICFDAI-QXCHGPQGSA-N 433.461 0.830 30 20 ICED O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800179504 UWXXAQWBUQFBFB-OMWLRPENSA-N 427.461 0.417 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807615004 ZIKXGJDVSBQPTH-APWZRJJASA-N 427.465 0.284 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)[C@H]1c1cccnc1 1810100434 SRMZWKLPIPAPFM-QSOKESPWSA-N 449.508 0.953 30 20 ICED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)ON=C(C)C)sc2C1)C(=O)O 1823080571 YIJQHCGANIOHFF-NTZNESFSSA-N 425.511 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824459119 JDLLLPQQNBOXGH-YQVWRLOYSA-N 441.594 0.972 30 20 ICED C[C@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829225393 FPLBBSMSCRXYJA-HTAPYJJXSA-N 441.488 0.487 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1831397274 WQPUKXJEOUEFAU-AOMKIAJQSA-N 432.521 0.816 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1831428038 XZTUCPDGSQYMAY-HRAATJIYSA-N 448.476 0.959 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1832447525 ZSRWGBYCTDHKHT-OAQYLSRUSA-N 439.578 0.765 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793368 KREADRGGGHTXJT-AEFFLSMTSA-N 441.510 0.202 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834128564 JPLDURZEUJGYMZ-JTSKRJEESA-N 433.505 0.733 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1835098817 RAPDBFKSEJUYEE-QHCPKHFHSA-N 425.485 0.117 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835100460 UCUFLMSWDFPBQN-OAQYLSRUSA-N 439.428 0.440 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835712597 OMSZZDCEHMOLOM-APWZRJJASA-N 434.581 0.657 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158136 DUJQHNPGFGDQGN-VCOZGABYSA-N 429.521 0.552 30 20 ICED CCOc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cnc2c1cnn2C 1836377018 MWDZQNXRJSZVLD-NRFANRHFSA-N 442.476 0.351 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cnn2c1 1836944708 QWSXMMGQRXNSBQ-OAQYLSRUSA-N 426.477 0.658 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837095728 SPANECLGVIITEK-IIBYNOLFSA-N 433.509 0.700 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1837398521 CSFPQJWAWBTZOT-KKSFZXQISA-N 434.493 0.128 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1837402988 NBOBBLPVKOYORD-SGXKBVARSA-N 434.537 0.782 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccccc1=O 1837684919 XXYKULZLWVVGTR-CJFMBICVSA-N 449.507 0.917 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838012659 SLLNRNARUARMSV-JLTOFOAXSA-N 431.518 0.860 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2)c1cccs1 1838065858 GUXORNNGYWXHKD-WUUFJKRQSA-N 446.485 0.686 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1Cl 1838598250 XTQWOOPRPGQHLJ-FQEVSTJZSA-N 444.879 0.573 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)ccn1 1838719264 OSCXTPXDGZUVIV-QHCPKHFHSA-N 441.484 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222710 WZRHXTWEULYVES-SXQBJFQMSA-N 436.509 0.102 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164354 GTVOASIMVRFJMZ-ASKKUZCQSA-N 426.535 0.517 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840254945 QGONNNJZRWWHTE-HRAATJIYSA-N 438.546 0.987 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840293429 BPEIIQZYVLOQIM-AVRDEDQJSA-N 429.521 0.927 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1840368507 UADCSRQSKPKGTF-FFCJBUTOSA-N 430.461 0.694 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1840466202 RKHVCGROHBMWHK-QHCPKHFHSA-N 437.500 0.799 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1840842419 FZJZRSXSUBFFLQ-APWZRJJASA-N 427.592 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845207027 WASDCHOAFYAADE-OPAMFIHVSA-N 435.521 0.912 30 20 ICED C[C@H](C(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409659091 XGXYTBOEOZNOOR-QAPCUYQASA-N 435.488 0.619 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C)nc(C#N)c3C#N)CC2)cc1 442909679 WNEPMGAZMWWDNM-UHFFFAOYSA-N 440.485 0.671 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 443031093 VDUKRZCZBGESQJ-JTQLQIEISA-N 437.517 0.685 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 447180893 AIXVAXXZDOUGKB-UHFFFAOYSA-N 437.547 0.498 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 463200435 UAZQNSQWQQEFLO-GOSISDBHSA-N 427.486 0.682 30 20 ICED CC(C)OC(=O)[C@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470155278 UTJSDPINBMUPDL-INIZCTEOSA-N 436.534 0.663 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 471315702 SJQZLQODCMLMPI-MOPGFXCFSA-N 448.545 0.016 30 20 ICED CCOC(=O)c1c(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481357113 FUOBVZBSJDKBAF-AWEZNQCLSA-N 442.494 0.196 30 20 ICED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NCCCc1[nH]nc(N)c1C#N 481668678 MYEAAVXOKMCSGY-UHFFFAOYSA-N 447.521 0.861 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)CC2)o1 487980768 WKTRHCAWADSRQU-APWZRJJASA-N 426.521 0.979 30 20 ICED CN(CC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 490893933 KSJOIADGSYZMHD-ZDUSSCGKSA-N 432.424 0.706 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 491227161 ZKSSWRQBUFKTHE-UHFFFAOYSA-N 427.274 0.973 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 505752836 KJMDMFRGKGQCSO-CPDPWVEUSA-N 438.484 0.566 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CCOCC2)cc1 507004625 ZARITIDZOHCSHT-UHFFFAOYSA-N 438.550 0.659 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(c3cn[nH]c3)CC2)CC1 507174726 COJVDAKHANHZBH-UHFFFAOYSA-N 442.545 0.994 30 20 ICED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(I)c1 508309017 OLDQHMKDRMZPAP-UHFFFAOYSA-N 440.201 0.518 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508509007 YRZMTCWJFXAJCQ-QZTJIDSGSA-N 444.561 0.715 30 20 ICED COCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 508669191 IAHPAQCFNVDMRG-ROUUACIJSA-N 434.518 0.899 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 509016887 PHRXETAHDRBRIC-UHFFFAOYSA-N 448.527 0.746 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 526037969 JFQPJVSPOBWIJW-ZDUSSCGKSA-N 431.901 0.547 30 20 ICED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 551848459 IRNLNKRXCCFUSG-UHFFFAOYSA-N 426.470 0.793 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552258203 XFJCNFCETRCDNS-ZBFHGGJFSA-N 437.422 0.923 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C(C)C 556210117 YOSYOYGDDDOCHC-VGSWGCGISA-N 433.553 0.638 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 559986258 JJMCLCBOHPGBNE-MRXNPFEDSA-N 443.485 0.781 30 20 ICED Cc1ccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 561338366 KOCIZVBORIQBOZ-HNNXBMFYSA-N 434.440 0.790 30 20 ICED C[C@@H]([C@@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 561368524 QXUPXWVLNLRECU-MOPGFXCFSA-N 427.549 0.818 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 571931738 MSJZEIFFHFAKIA-NSHDSACASA-N 447.448 0.687 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(OC)nc3ccccc23)CC1 580113204 BLMQOPLALVTGAR-UHFFFAOYSA-N 425.489 0.306 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)n1 588159257 HEKHOXROZSEOLO-QGZVFWFLSA-N 447.499 0.096 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC)C(=O)N2CCc3sccc3C2)C1=O 589078120 CBSWMGAAZMIPGC-AWEZNQCLSA-N 432.502 0.895 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 591583184 LLWLOWYLJWXHOV-GJZGRUSLSA-N 428.536 0.219 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 619683329 PGXNRRGPNHWKRX-UHFFFAOYSA-N 449.411 0.346 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 730071919 CTLWYVGUSWQZEZ-CYMZXICGSA-N 447.517 0.969 30 20 ICED C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 732447136 ALFDHLJTPAANQZ-OYLHUBKDSA-N 435.506 0.824 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 733150180 DPRXQEGYWGKEKM-SFHVURJKSA-N 440.500 0.094 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1 746215835 QWPFJCINPOFKBD-UHFFFAOYSA-N 440.891 0.890 30 20 ICED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(C)(C)C#N 749982043 VSUREFWGZGFGLC-UHFFFAOYSA-N 426.495 0.258 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(CS(C)(=O)=O)CCOCC1 756632889 CKEKTEQTDYFMID-AWEZNQCLSA-N 444.531 0.610 30 20 ICED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 756845607 YOGHPIXLWPRFIC-UHFFFAOYSA-N 446.489 0.897 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 756894101 LNVBRELFVJURQK-MZQAJTEJSA-N 432.477 0.414 30 20 ICED CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 760323642 SDOPUYJCQQDUOO-WLBHNISZSA-N 426.473 0.704 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 761029371 OHOCKKWMZXOBEL-INIZCTEOSA-N 430.452 0.896 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 764351563 MUNQXBJMFKUSDW-QFIPXVFZSA-N 434.537 0.975 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCCO1 773791047 BHSUTJVUNZTBFY-RIXYSHQMSA-N 432.502 0.735 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCCO1 773802305 ZSASIPQPFJOWNQ-RIXYSHQMSA-N 432.502 0.735 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 783347218 LGROOEJTJMSDHB-UHFFFAOYSA-N 443.547 0.400 30 20 ICED C[C@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)NC1(C#N)CCC1 787686323 PXRATEKLFUFKFI-VIFPVBQESA-N 437.254 0.387 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 789187485 ZKMPJTOCODGPBR-HRCADAONSA-N 441.554 0.955 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CCOC 795187046 KTDZQMDHAKOWLU-UHFFFAOYSA-N 441.509 0.958 30 20 ICED COCCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)CC1 802415136 OVJQKESSSVBXIY-UHFFFAOYSA-N 448.549 0.951 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 805276686 ZLCPIDXRBPGUSJ-INIZCTEOSA-N 430.571 0.924 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 813948849 MECKHYKBHWNIEL-UHFFFAOYSA-N 430.490 0.602 30 20 ICED Cc1c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)nnn1-c1ccc2c(c1)OCCO2 813980543 CSVVWUARNAHKEH-UHFFFAOYSA-N 426.414 0.732 30 20 ICED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCCC1 914668100 PANKSLBPPZNQOJ-UHFFFAOYSA-N 448.501 0.307 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918349925 YWNZURIUAJEIJI-UHFFFAOYSA-N 430.486 0.556 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1293363391 TWVIUKNUHWCJJP-UHFFFAOYSA-N 430.509 0.003 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1=O 1301891897 RRKVNLKOJSTMIY-UHFFFAOYSA-N 425.493 0.590 30 20 ICED COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccncc1 1327496644 PXOLHLNAQRWLPI-OAHLLOKOSA-N 430.486 0.658 30 20 ICED CC(=O)N1CCN(CCn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1359401270 NDMLPASOECYKBC-QGZVFWFLSA-N 427.484 0.977 30 20 ICED Cn1c(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1537955901 MESGCJRQOZDLKF-UHFFFAOYSA-N 429.458 0.374 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C(=O)NC 1552381383 NLGREIMQMDCSLZ-AWEZNQCLSA-N 433.538 0.574 30 20 ICED CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1569262652 JDDUNWZZWVRWSY-CYBMUJFWSA-N 440.522 0.459 30 20 ICED CCNC(=O)C1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CCC1 1615927986 TZLBFMYDRXCFCH-KKSFZXQISA-N 432.525 0.965 30 20 ICED CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620163511 ZVIJBSYWUFNIOD-GOSISDBHSA-N 429.550 0.875 30 20 ICED C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1620178568 IWTQVJDWDSXLBB-LJAQVGFWSA-N 448.574 0.809 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1706870093 VRAKKVDDIXGOCQ-IYOUNJFTSA-N 426.543 0.558 30 20 ICED CCN(CCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)S(C)(=O)=O 1728494200 UZLYXJXLWPTDSQ-HNNXBMFYSA-N 447.569 0.635 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)n1 1751223210 MYUGBVQRKFZDAG-KBXCAEBGSA-N 435.558 0.780 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC(=O)N3CCOCC3)CC2)c1C#N 1751828148 SQCJDFWRQFGPIN-UHFFFAOYSA-N 441.540 0.501 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777782397 KXLNPGXTXRORPP-AOMKIAJQSA-N 442.520 0.758 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778624 PFZRKKKKMCAGSD-KDGIGMFRSA-N 442.476 0.930 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778872223 QKXWQVJKNQFPHI-URZJWIJPSA-N 427.457 0.589 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779404556 TVKMNRIUVHFVNH-CSODHUTKSA-N 435.477 0.299 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786672 DLSNFLYCVYMPAW-QRWLVFNGSA-N 449.464 0.387 30 20 ICED O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785389460 SQMHCOWKXSVPRL-UFYCRDLUSA-N 426.517 0.697 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1785572780 RIAKHMCLWREZCZ-ZHRRBRCNSA-N 435.521 0.769 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(-c4cccnc4)c3)[C@H]2C1 1785724420 VAETXBJSIBCPCN-SEONNTABSA-N 437.500 0.899 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1786706385 PTMKQSPJFJXOPY-SNRMKQJTSA-N 429.473 0.733 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788600980 PWPRNIFGFJKHKT-XGZMRPLRSA-N 439.520 0.794 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658763 OCIFUIKYZMPTJH-FXUICHIMSA-N 443.566 0.654 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1789891682 NUQDMIOVNNZMHX-JYJNAYRXSA-N 448.476 0.050 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790747735 OIEPMTMNAGBQSY-HITCNQOXSA-N 437.518 0.255 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCc3ccccc3)C[C@@H]21 1790794908 WWDJDJJVUJWRIK-FKBYEOEOSA-N 444.528 0.849 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C[C@@H]21 1791076705 FAZFJIAAHOGVEG-OWQGQXMQSA-N 449.467 0.252 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CC1 1795423852 CTLXZUNAABHFEW-XEMDLRDOSA-N 449.552 0.432 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1795598467 HEBQIDPXJPLYKK-JLVBRIDZSA-N 443.504 0.338 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1C[C@H]2C[C@H]2C1 1797638450 HMRANQRKEYGXGK-WQGQJUAZSA-N 438.528 0.867 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)c1 1797889240 BZGIKKCBJAXBKA-CCWDJLKJSA-N 437.431 0.934 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798539986 CLKPKEKKCATMFV-RDPOXOKHSA-N 430.501 0.689 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4cccnn24)C3)cc1 1798921075 BSZZDNUCTHZHHB-UPHUGPLXSA-N 444.451 0.478 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Oc1ccccn1)C2 1799305574 STXKNZSPGJRBRL-LJCCNALRSA-N 431.489 0.948 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800778455 ZAUIHOQISAHIOL-OLMRKFRDSA-N 449.504 0.311 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1804687930 WLRAIDCWWNGLKP-KGPYNAKISA-N 434.500 0.979 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1 1804963026 RUKIXSCSYOTGTJ-IDHHARJASA-N 437.456 0.928 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1 1806000988 DXYYLDKETGYHIO-INIZCTEOSA-N 427.505 0.510 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079450 SCJRXZWTGLXWIQ-DYESRHJHSA-N 432.484 0.755 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)CN4CCS(=O)(=O)CC4)C3)CC2)c1 1806699112 FHGBOERAONVBPM-UHFFFAOYSA-N 447.561 0.462 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807192033 MSJVJIFQTQEHDH-TXTKFYIRSA-N 433.512 0.732 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814555657 QLKHSVVUVHAVPU-GXMNPTEKSA-N 433.534 0.246 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nn[nH]c2C(F)(F)F)[nH]n1 1822202568 WDQLDSLYZBJABY-SECBINFHSA-N 425.327 0.941 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1822920762 RKTPDKHQIMMMKZ-ZYHUDNBSSA-N 449.489 0.163 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1823078420 JCHGBIXDJGTKNJ-WDEREUQCSA-N 436.494 0.408 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1830458384 BCBMTACWQHFUFX-QHCPKHFHSA-N 437.500 0.844 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830851172 JPLRARRQJKRDIF-WMZHIEFXSA-N 442.516 0.955 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831262547 GZTUAOZZTRZPTQ-RRMPHLOHSA-N 433.530 0.954 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831392112 BOOUHTLMXJGLAL-JXFKEZNVSA-N 434.518 0.063 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1831393206 UXLUCHGNBLVTHN-ZHRRBRCNSA-N 430.457 0.524 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)o1 1833899920 ZLMBMTOGGRALFC-QHCPKHFHSA-N 438.484 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1834834120 WKNMYCQLXFIVNI-WWOHXHCDSA-N 441.528 0.934 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c(C)n2n1 1835342134 RIQGVUUQEPLUJM-OAQYLSRUSA-N 439.476 0.115 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359781 HZFPXQHZNOKCBF-NRFANRHFSA-N 440.460 0.814 30 20 ICED N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccnc1 1835828927 OGANRHHICQWOEN-DHLKQENFSA-N 448.523 0.980 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1836082134 ZJJVICPVCXKYGF-WHEDMDOKSA-N 447.517 0.558 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020579 TYKWKKLHSVFHLR-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837312031 RPDZKIQUYSMCQU-HTAPYJJXSA-N 431.489 0.136 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315873 QFYUOWXNYDNSJD-CXAGYDPISA-N 438.399 0.139 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1837400272 BITAUDNHPMKSQO-JTSKRJEESA-N 449.552 0.676 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837438925 AWIQGNRFBJBBAY-GAMXZPBPSA-N 434.493 0.241 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)on1 1837489092 ZKQXLZQWLUYZON-JOCHJYFZSA-N 431.489 0.752 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCC1 1837533244 MAWISBCTZSGWCW-RXQHMNIESA-N 434.493 0.666 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559948 FRKHNACDSUEVFU-DTXYYNOZSA-N 434.493 0.070 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1837589001 YSZWKBNLKUUTKT-QHCPKHFHSA-N 444.532 0.416 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837635268 XVFOMRKDUFMCRU-HNNXBMFYSA-N 428.493 0.507 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)c1 1838580506 GXPFKDUTNLFXSP-QFIPXVFZSA-N 439.472 0.684 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)c1 1838737576 ZYAIMSKXYMNPGK-HSZRJFAPSA-N 449.467 0.514 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741857 FEMIARLKXGNAOY-KKSFZXQISA-N 426.477 0.489 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)C1 1838952021 WPTBYFMFOBZRRQ-OFNKIYASSA-N 426.517 0.970 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838952762 ICZIQLJQFPPCHX-OAQYLSRUSA-N 427.457 0.581 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839224731 XQIVAJQIHVOHDX-HRAATJIYSA-N 434.493 0.256 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1839361637 VXDFKBGXCMZNOE-HXUWFJFHSA-N 427.486 0.988 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716971 ZJRGELJGJXSGBX-SBUREZEXSA-N 442.516 0.910 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800906 YQOFZFBDOSVMDH-IERDGZPVSA-N 435.546 0.581 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824249 BZBRRURVQGPHLI-KRWDZBQOSA-N 436.553 0.991 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 229757539 MQBIOXZEUPPCRM-HLIPFELVSA-N 447.561 0.635 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 437053410 VXWHONFGVADHFF-AHRSYUTCSA-N 443.500 0.737 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 439452286 IFXBTRUKWMSFSN-HNNXBMFYSA-N 432.420 0.445 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCOC1 441968855 ZMNGSRAQDXBISA-KRWDZBQOSA-N 427.526 0.520 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NC3CC3)CC2)nc1 444064870 XSEWHLVLXHPYEO-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cc1nn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(N)c1C#N 444348651 AKGPGXRMIDHXAW-UHFFFAOYSA-N 438.897 0.958 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446340959 IGXSOYAWYVULND-UOVPBQLFSA-N 442.497 0.415 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)S(=O)(=O)c1ccc(C#N)cc1 448172560 CJODHMFOYJZFJI-CQSZACIVSA-N 432.424 0.848 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 467287238 GAVSVVMVRNKHKC-UHFFFAOYSA-N 443.533 0.399 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1=O 467666866 DGZOIUSHYQNTJM-INIZCTEOSA-N 427.548 0.691 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O 480962797 XNGBNZYCRWBFBB-UHFFFAOYSA-N 426.454 0.209 30 20 ICED C=CCOC[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 481775374 DZMHEKYWKXGXSM-ZDUSSCGKSA-N 425.235 0.906 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCCC(=O)OC)c1=O 488978125 KCPFIJIEJOGYHR-CQSZACIVSA-N 444.513 0.188 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 491214413 XDQDTWMVIWUCOE-UHFFFAOYSA-N 430.896 0.911 30 20 ICED COc1ccc(C(=O)N2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)cc1OC 497854224 SQSNRRLNKDYSFB-UHFFFAOYSA-N 427.465 0.771 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 501327177 IAQQEYOXHJDDOG-UHFFFAOYSA-N 443.485 0.293 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCCC(=O)OC 501761901 JPQYMDGQXHTXBP-UHFFFAOYSA-N 425.510 0.977 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 506171561 GMOWUGQANKGHAU-IBGZPJMESA-N 438.506 0.911 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2)c1=O 522283644 ALUDCRMNESAKGB-UHFFFAOYSA-N 433.505 0.741 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 522541506 MBBRWGHLVIECQE-UHFFFAOYSA-N 436.518 0.865 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 531642094 OBXQQLCXMLRLCF-UHFFFAOYSA-N 444.923 0.970 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)c1C 534155365 CQVXYQPHCXTMCN-UHFFFAOYSA-N 444.517 0.840 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)cc1 576749446 KXWKIMRGMXNDNE-UHFFFAOYSA-N 431.405 0.671 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 580334963 ZFRUQEOVVHLWCD-KRWDZBQOSA-N 433.557 0.362 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 582315225 HZERXTPQRBFBBE-UHFFFAOYSA-N 447.561 0.527 30 20 ICED Cc1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1S(=O)(=O)NCC#N 609835229 UHFCOTJPRUDECF-UHFFFAOYSA-N 434.499 0.647 30 20 ICED Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 609986759 BKLSUBCVGLYOAJ-UHFFFAOYSA-N 449.471 0.640 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 610683397 XBQNIXNECXWTIT-OAHLLOKOSA-N 443.533 0.818 30 20 ICED N#C[C@]1(F)CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])C1 615528516 URBGTVZXNZHWJT-QGZVFWFLSA-N 427.458 0.647 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)c1 726580475 SDVCVQOZPWNDMQ-UHFFFAOYSA-N 443.484 0.916 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 728536300 SXQLSVXSJHOYED-UHFFFAOYSA-N 440.525 0.995 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cn1 729030727 YJNKRZOWNWLUNA-UHFFFAOYSA-N 443.481 0.761 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 732071077 CFFOCQNBEQTROO-CQSZACIVSA-N 433.490 0.155 30 20 ICED CC1(C)Cc2cccc(C=c3sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c3=O)c2O1 738009977 GPXYHZDONXXYKU-UHFFFAOYSA-N 444.538 0.199 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 746593979 YGHBKVWWIDDUNG-UHFFFAOYSA-N 446.441 0.994 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2n(C)c1=O 749519797 BNWIYLQDDZZZNH-LBPRGKRZSA-N 428.449 0.217 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1C#N 752396244 HNMPXNCNSPTFIM-MRXNPFEDSA-N 439.432 0.720 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1=O 778585160 TUYYLZXRHBJEMA-CVEARBPZSA-N 435.525 0.736 30 20 ICED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782587847 ZMQZINOPFWSRFP-UHFFFAOYSA-N 438.351 0.843 30 20 ICED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 786124273 QHNGGHGYPIBCGA-MRXNPFEDSA-N 441.492 0.539 30 20 ICED N#C[C@@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787052987 PFRWSSQGQQROLT-HNNXBMFYSA-N 442.409 0.765 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)n1 788321331 UWYGORLEDKJRLD-UHFFFAOYSA-N 434.500 0.755 30 20 ICED COc1cc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)cc(OC)c1OC 793212671 REZQWUGJCHOIEV-LBPRGKRZSA-N 437.474 0.815 30 20 ICED COC(=O)CCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 808966428 QRGWZISQFSHPIY-QNGOZBTKSA-N 440.478 0.439 30 20 ICED Cn1c(=O)c2nc(Br)n(C[C@H](O)COc3ccc(CC#N)cc3)c2n(C)c1=O 818383553 QKKLOVIAPXNBAZ-LBPRGKRZSA-N 448.277 0.702 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 819212574 SLVWQQXCXWJDER-HNENSFHCSA-N 427.417 0.796 30 20 ICED CN(C)CCNC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 915072536 RNMAHVJUQWHUQS-UHFFFAOYSA-N 429.502 0.655 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917354944 CJNVJTJFWVKTEJ-UHFFFAOYSA-N 429.546 0.468 30 20 ICED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 919549996 XPAVXXZPYWWWMK-LRDDRELGSA-N 431.474 0.517 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 927803857 TXMQUAZICGDSGZ-UHFFFAOYSA-N 440.503 0.582 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2=O)cc1 1116029943 CGEGGIVFOPSQMO-AEFFLSMTSA-N 434.518 0.516 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1288806013 KIGMQBVBOSXWGH-CYBMUJFWSA-N 425.515 0.471 30 20 ICED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1291310174 VNBWPQFDZAIPQK-QGZVFWFLSA-N 439.520 0.776 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 1327166481 CETJSJDZJUMADM-UHFFFAOYSA-N 434.337 0.760 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCN1C1CC1 1462159426 DOYJUTHDLPAXCY-UXHICEINSA-N 425.533 0.958 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)COC1 1541207087 APFNXZBTJRJZPH-CABCVRRESA-N 434.497 0.804 30 20 ICED C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593895177 MCZXJXYKIDGUMW-UHFFFAOYSA-N 428.888 0.352 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCC3(C#N)CCC3)C2)CC1 1686828915 UUMWPMGEOUMICZ-UHFFFAOYSA-N 441.554 0.957 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1696512531 PNKVCRJYTUEOFF-SSEXGKCCSA-N 430.534 0.880 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCN2C1=O 1748053748 SYNUEDKHYCMGAI-INIZCTEOSA-N 429.506 0.417 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCOCC1 1751215612 XVOYULKEIBOCMB-MRXNPFEDSA-N 439.586 0.741 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1751987061 PCHMALLCNAGYNI-OAHLLOKOSA-N 437.504 0.922 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1752389638 YHKPENFJLVHTQC-FOIQADDNSA-N 447.517 0.503 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760306893 LAQPLEYRPHCOHS-RYUDHWBXSA-N 432.344 0.756 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1779062044 BPBSFDCNUWFVGR-JOCHJYFZSA-N 428.489 0.754 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779103787 AUIGWWKPIBULLL-WFXYLQRRSA-N 442.476 0.930 30 20 ICED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#Cc2ccccc2)C3)n1 1779240488 HJRYGTRPJWYFEQ-WZONZLPQSA-N 436.516 0.885 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1779269105 HUDLXEYPLOSCFV-DRSNIGMVSA-N 432.521 0.821 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1780436773 UYCAGDOBKBJXGB-JOCHJYFZSA-N 449.471 0.934 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1781050513 ZTEOZFQAEPDFSZ-SODVOOIJSA-N 441.528 0.442 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1781271482 UIYLDPSGVYJWFP-JOCHJYFZSA-N 429.473 0.738 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(O)nn5)CCO4)C3)c2c1 1782195242 YHKJFOAFUJBXDK-NRFANRHFSA-N 433.428 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Cn2ccnc2)C1 1782540799 LFSZHCZLKMNBQW-BPWKAYQFSA-N 443.548 0.892 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1)C(F)(F)F 1785353795 NEHRQORRJFGVQE-QGZVFWFLSA-N 430.383 0.206 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786941544 CRNFMRKDLNMRDR-MPGHIAIKSA-N 425.445 0.659 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)c1 1789511581 NRAXODJVZNKHJR-VJANTYMQSA-N 431.514 0.729 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3ccnc3)[C@H]2C1 1791625373 QXIMGZTVNNIHII-KDUWDWFMSA-N 429.521 0.357 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1F 1795413722 ODARDUDFJDHLHG-XOIINTDNSA-N 435.477 0.736 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c(F)c1 1797739144 WZOGUFJTHPGFKY-GISGIKCKSA-N 433.484 0.904 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c1Cl 1798592139 DJSGRIQXWCDMTD-VTEUUUEMSA-N 442.859 0.340 30 20 ICED C[C@H](S)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 1804433277 TWYYTAVUBNBZQN-HPCHECBXSA-N 428.555 0.712 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812636171 VYVKAOHEACVQBE-ZXJSTLNHSA-N 425.489 0.082 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812873735 FLOHIQKJNXMFCE-KKSFZXQISA-N 435.440 0.843 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813222851 DFHZKZKUOPDNBO-UZLBHIALSA-N 448.487 0.721 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccnn1)CC2 1819898119 HHOKMKUDPURJNO-HJMLNICGSA-N 433.494 0.876 30 20 ICED CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819898139 HJEPLCUBRHHVJG-OKNMXZPGSA-N 444.535 0.629 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825971773 HVMPLCKUXJBNDH-FRRDWIJNSA-N 431.470 0.899 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826986001 CNMQMNOYJCLNTC-VXGBXAGGSA-N 433.494 0.812 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047874 VDEURZMUNOEOTE-YJBOKZPZSA-N 440.504 0.689 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828585116 PMLVKMOGAQQWFR-MBSDFSHPSA-N 444.532 0.988 30 20 ICED C[C@H](CN)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805801 DWFOETUCONTNCB-VGOFRKELSA-N 427.505 0.947 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717545 VSSWVLCTUJRYLZ-GOSISDBHSA-N 433.521 0.703 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831151072 VXJLXAHOLSWXSN-IERDGZPVSA-N 435.546 0.533 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831411481 RXLSHYWGNFNNIU-JOCHJYFZSA-N 433.505 0.438 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831420274 UPBUUKNOCQTALO-JTSKRJEESA-N 434.489 0.819 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831426031 FBVLXVASSFHDRA-VGOFRKELSA-N 428.489 0.995 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1831610309 YPDKHQGNBSWYTE-QRQCRPRQSA-N 444.488 0.148 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831834711 ZWZHNCODLVINJK-GIFRWZEPSA-N 446.504 0.989 30 20 ICED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832555822 YTGSUWFIZUFSID-QFIPXVFZSA-N 447.536 0.572 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833061681 PLFQCFXTCFIQFW-GOSISDBHSA-N 436.622 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3CCN(C)CC3)CC2)CC1 1833101809 AYHJFOQNBRZJNQ-PLNGDYQASA-N 445.608 0.758 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833199852 YTGOCECGLOYXOU-AAADOUPPSA-N 443.504 0.688 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833865062 WVUGTGDSGICVCI-GOSISDBHSA-N 428.436 0.710 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1834249783 XSVRUYSCGJJYIE-QFIPXVFZSA-N 449.471 0.552 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780074 LPSIZVXMKNOKEY-SYXCRGJESA-N 443.548 0.961 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1835984852 SHQCLTRHRLKANI-JOCHJYFZSA-N 446.552 0.091 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836031848 ATQILXJUYRVWCM-JOCHJYFZSA-N 447.511 0.501 30 20 ICED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1836170019 QBMJMULBNCXCOA-UHFFFAOYSA-N 441.580 0.319 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1Cl 1836210624 RILKSSYFXOGKSU-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C(=O)c1cccs1)CCO2)C(=O)O 1836520791 RTCJANXNIYPJMP-LMZZKXEPSA-N 448.497 0.974 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837567676 SEYZVEPUOHQHGM-IQTGRTGDSA-N 430.461 0.694 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837874531 LSFJACLJMJUDKL-IYNODDHASA-N 433.465 0.076 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1838416179 PCRGPZFIKDMKBD-GJZGRUSLSA-N 449.577 0.912 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCCn4ccnc4)C3)C2)c1 1838741871 FSKQVBVEJDDMNA-OAQYLSRUSA-N 426.477 0.633 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349127 FIMKYFUDTGXKFC-ZHRRBRCNSA-N 431.489 0.447 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1839419719 RSMXWLJGDNNBAC-NRFANRHFSA-N 446.435 0.220 30 20 ICED COc1ccccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040349 WEHQUYBJXDUOSS-QFIPXVFZSA-N 430.457 0.172 30 20 ICED CC(C)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044603 NSHJUZWVDRGSQE-QHCPKHFHSA-N 428.485 0.897 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840161590 USWFQJZLOIOCFC-GKCIPKSASA-N 435.502 0.496 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840162033 JPGWIYFCJDUUSF-VBKZILBWSA-N 431.518 0.860 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1840843745 IBNNILVRDCFLBH-JOCHJYFZSA-N 432.473 0.893 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843916036 FMJWTCNORQAOSH-SFHVURJKSA-N 447.580 0.354 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197100 TWZLPAWYCBHKJF-XSWJXKHESA-N 447.488 0.037 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056751 XAFZBJXGPQHYGD-SNTNMBAUSA-N 440.547 0.579 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCOCCOCCOC 1847813949 YEPUVLSFEYCXNH-AABGKKOBSA-N 442.553 0.866 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 29476021 FZTJANYRBXIOAL-LBPRGKRZSA-N 442.453 0.952 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 31221999 NMXCDZOXHULZHY-UHFFFAOYSA-N 435.550 0.191 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 64767528 IZJIEIPGFWERHF-UHFFFAOYSA-N 447.473 0.643 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 438810189 JWERMVGOWWJJKN-UHFFFAOYSA-N 427.274 0.973 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 445728451 XHUSJJZUXUAENR-UHFFFAOYSA-N 426.442 0.698 30 20 ICED C=CCNS(=O)(=O)c1cc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)ccc1F 460729405 NCJAJBPUESRMGD-UHFFFAOYSA-N 447.514 0.621 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)n1 479365808 OHFWIDNVUJSXGR-INIZCTEOSA-N 440.525 0.664 30 20 ICED COC(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1F 484396212 ZMXRRHZKHQUJBV-UHFFFAOYSA-N 446.414 0.952 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccco3)c2=O)CC1 484695907 WHUVBDXVNJILRE-UHFFFAOYSA-N 444.582 0.848 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 501578469 GVESETQSUHUAAW-CYBMUJFWSA-N 442.505 0.953 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 504802950 JIIMSQGPZFWQNT-GOSISDBHSA-N 437.518 0.843 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514033458 UTVPHSVMFGGSLD-HJPURHCSSA-N 438.532 0.984 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)CN1CCOCC1 514307151 MBZXNJUASVWWKB-LEWJYISDSA-N 433.528 0.159 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)n1 531909357 DEEWRTKUJWCJCY-UHFFFAOYSA-N 449.492 0.331 30 20 ICED COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 537394061 JNBDDEUFGHWWHF-UHFFFAOYSA-N 449.492 0.249 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1CC(N)=O 541288327 IKSUEZIDNILWQF-UHFFFAOYSA-N 433.493 0.057 30 20 ICED CCOC(=O)c1cnn(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c1C#N 541838546 KKJGOMHJBSKEJF-UHFFFAOYSA-N 436.428 0.305 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)n1 542998171 MDRGSOUVHINREF-INIZCTEOSA-N 443.895 0.792 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccc(OC)nc1 543869128 CADKWUAGGUWWEU-UHFFFAOYSA-N 443.466 0.521 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 548958579 ZDQNCQWNXWUXCE-UHFFFAOYSA-N 425.282 0.540 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)C2=O)cc1 550164486 FSMVPDMAXBHBQT-RBUKOAKNSA-N 428.489 0.872 30 20 ICED C=CCSCCNC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 550258415 IIAAQSUBZKXESQ-UHFFFAOYSA-N 441.575 0.500 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 551431711 YVRFQXGRTCUBFI-GOSISDBHSA-N 437.456 0.948 30 20 ICED COc1cccc(N2CC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 553003297 GAFKKQOUUKRRJJ-AWEZNQCLSA-N 425.493 0.658 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)C1=O 553428500 JGYMJBXJBHLXHJ-UHFFFAOYSA-N 439.446 0.031 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1=O 553833585 MAPLFMAYDAMTHU-GOSISDBHSA-N 431.537 0.865 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCOCC1 559552053 QPUISAPNASRRRO-RTWAWAEBSA-N 427.549 0.696 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 561450384 HQRXLLDMZNGLQW-UHFFFAOYSA-N 435.550 0.071 30 20 ICED COCCN(C(=O)CN1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 572891073 SIDXUSYHZCYYGF-OAHLLOKOSA-N 441.579 0.107 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c(F)c1 575360430 UPAWQAGKCRVOSP-KRWDZBQOSA-N 437.479 0.921 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 576509026 PWBVQBSIQHBDRJ-FPOVZHCZSA-N 442.541 0.836 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(OCC(F)(F)F)nc2)C1=O 584491441 LLYGPLHDEBWOAU-CQSZACIVSA-N 428.411 0.927 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(F)(F)F)O1 588868254 BEJGXUMIKBLUMG-WQVCFCJDSA-N 438.406 0.954 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc(OC)c1OC 590981748 STAMGNNCUMDTFX-UHFFFAOYSA-N 431.514 0.748 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cn2)CC1 615251782 QLPCKFSQWXNVQP-UHFFFAOYSA-N 434.522 0.254 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 674480972 QBRVGZCZRQADEN-SZNDQCEHSA-N 427.461 0.378 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)n1 682875640 JBTIEMBMKQDOEM-UHFFFAOYSA-N 428.514 0.520 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 728536306 TUXMKQJZHSBXEZ-SFHVURJKSA-N 442.541 0.298 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 730070303 SMZDAMABONEEBQ-ZDUSSCGKSA-N 428.470 0.658 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 735849514 KOZSQXOZDPQRDW-VHEBQXMUSA-N 435.525 0.962 30 20 ICED C[C@H](CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 742534637 JUYSMWQYVLUEDE-CYBMUJFWSA-N 442.501 0.474 30 20 ICED COCCOC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743942040 WIXCUVNFONYNEA-CHOFAJOMSA-N 440.522 0.606 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 747823231 QFWJXQMRMAWTSB-UHFFFAOYSA-N 435.322 0.965 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 750419549 JHCPECWCNMVGRO-UHFFFAOYSA-N 449.510 0.839 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OCCC)c2)c1=O 758051821 NVRMXNWGHXIYDL-MRXNPFEDSA-N 439.537 0.986 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 758646521 YTGVINYKCSAVED-ABAIWWIYSA-N 434.474 0.950 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758768185 HYVYNYFPYQVPKG-BBWFWOEESA-N 436.557 0.987 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cnc(C3CCC3)s2)c1=O 760379031 QRSQWMPOCYKNJR-UHFFFAOYSA-N 435.556 0.210 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 762934711 CJYIZQDVYKAVQR-QWHCGFSZSA-N 444.469 0.894 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1sccc1C#N 762940307 HUVYFBUGYBJMLI-JTQLQIEISA-N 436.471 0.567 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 763460697 MAHYSXJOTSMSJY-UHFFFAOYSA-N 447.520 0.462 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)cn1C 765682742 LUNBYQJDGDOEIR-UHFFFAOYSA-N 432.510 0.123 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1sc2nc(C)nc(C)c2c1C 771892407 RQONWWGSPRPKEX-UHFFFAOYSA-N 436.519 0.716 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@H]1CCCO1 773795683 WMABTPFCAQXXJY-MAUKXSAKSA-N 437.518 0.961 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC23CCOCC3)CC1 786435993 SCWPIGOOOIDPIY-KRWDZBQOSA-N 447.513 0.751 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786569824 MIJMZHLSYOAVKO-MCIONIFRSA-N 439.440 0.325 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)n1 787116306 MQECSGHMNZCLHB-IBGZPJMESA-N 426.521 0.361 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)n1 789331903 KOYKVSHDCZPWFL-QFIPXVFZSA-N 438.488 0.845 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1)c1cc[nH]n1 789977764 YOCYXOUEHFEGLU-UHFFFAOYSA-N 447.496 0.718 30 20 ICED COC[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C(N)=O 791792022 VWUOCYOFJJASOO-QIIGAIICSA-N 425.511 0.901 30 20 ICED CN(CCOC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)S(=O)(=O)N1CCOCC1 805878926 XIOBPEKQWVJGNH-MRXNPFEDSA-N 440.497 0.576 30 20 ICED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 807825140 IBHFZMBOEOPFKB-INIZCTEOSA-N 442.520 0.975 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)C2)nc1 809301648 UPRCSABQBDVMIR-UHFFFAOYSA-N 437.456 0.760 30 20 ICED C[C@@H](c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1)n1cnc(C#N)n1 809466766 VXIRDRWIGIRENE-ZDUSSCGKSA-N 437.420 0.942 30 20 ICED C[C@H](CC(=O)N1CCC(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 817039653 HSJHLEJKBFATGE-CYBMUJFWSA-N 427.548 0.787 30 20 ICED CN(C[C@H](O)CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)C#Cc1ccc2c(c1)OCO2 820275508 PURRJKYYOLUSAG-GOSISDBHSA-N 448.431 0.483 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCNC1=O 828095344 NTFAUXBUDZJKKR-OCCSQVGLSA-N 436.490 0.767 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(C3CC3)c2C)c(=O)n1CCOC 838212671 HSRIURAICINBQI-UHFFFAOYSA-N 444.557 0.575 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)nc1 915777783 NZCCTNRTRSJPLN-UHFFFAOYSA-N 436.472 0.521 30 20 ICED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 928404482 LXPXEJWTDQYNQP-ZDUSSCGKSA-N 438.506 0.359 30 20 ICED COC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)C 1116259470 ZTNLRHXXULFBTN-UHFFFAOYSA-N 436.534 0.522 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1116944313 FXKXUYSFJLYVIL-NRFANRHFSA-N 433.530 0.429 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286969730 QZEKLRWPUONOMF-DOTOQJQBSA-N 433.538 0.845 30 20 ICED N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1316536217 NQAWXOKUHZWDCY-UHFFFAOYSA-N 438.492 0.914 30 20 ICED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1=O 1519196290 RNCWWDHYZWUDRA-KRWDZBQOSA-N 442.545 0.880 30 20 ICED Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1554350545 XMJXFFNSPPTLBS-UHFFFAOYSA-N 440.533 0.921 30 20 ICED CCOC(=O)C1([S@@](C)=O)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1559843909 SKOFQISDKGIGDA-CQGGRAHPSA-N 426.583 0.455 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1651066526 LNCQCIVVKZPWFB-OAHLLOKOSA-N 438.506 0.589 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723666298 KQUXQYVHJMEZGX-QGZVFWFLSA-N 446.581 0.788 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H](COC)OC)CCOC1 1765914632 YZVFZEMRRDNXHY-WAOWUJCRSA-N 434.541 0.768 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1=O 1769071308 XIUDEOLMWJCHTH-UHFFFAOYSA-N 428.518 0.920 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 1777997892 BRXKESNOWCOTTI-GSHUGGBRSA-N 435.521 0.769 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778080313 BPBOAQMANJSDGF-BDASQDPRSA-N 428.580 0.621 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778091314 OPUQLLKXBUUWDA-IIDMSEBBSA-N 433.596 0.244 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779103720 XSPPOMZOIDNMJE-RETMYHCQSA-N 447.492 0.638 30 20 ICED COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015233 BZIHMSFPQVTSTN-MPWIWIEXSA-N 434.489 0.568 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc[n+]([O-])c1 1785493562 PEQZHRDZUBUXHE-LVECGJMQSA-N 432.477 0.442 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1785577198 LBXDNEKZDZOMAQ-MPWIWIEXSA-N 435.521 0.504 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1785725480 VAEONINHWBJMIH-WZONZLPQSA-N 447.532 0.866 30 20 ICED Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1787012559 BEGXTLXUVXXPRF-YANHFOEESA-N 447.536 0.861 30 20 ICED COc1cc(OC)c(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1789238605 OUFLBIMANBLQQT-NUTKFTJISA-N 434.420 0.524 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1789958582 UVHCNYVECBFXTJ-DEPCRRQNSA-N 437.585 0.403 30 20 ICED 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)C1CC1 1793061860 AEWKPEPFKGVFDC-QOIOWGMHSA-N 449.504 0.357 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C(C)C)n1 1793996292 SJONZWURNDTMQP-XTLOUAGDSA-N 431.493 0.184 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)n1 1794277850 QNMGFIDSWBGEMV-RHNHGDFNSA-N 441.488 0.102 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)C2 1795077413 KGSIZCURWCQKBQ-WQDJSCAQSA-N 428.464 0.934 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797812089 NBRSOZSYQWDMOZ-JKNIJVHPSA-N 442.476 0.690 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797817923 CARBHGHYVHDNQC-JKBNCDAYSA-N 446.504 0.968 30 20 ICED 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[nH]cnc1C)C2 1802126355 HCDIOFKIWIAXNI-KYHPRHEASA-N 445.520 0.838 30 20 ICED CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1803481210 VAKAAMIATJTZRR-YLRNIGBLSA-N 431.493 0.753 30 20 ICED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)C1 1804193606 YGAHQRVVJAPXFH-GHTZIAJQSA-N 446.573 0.784 30 20 ICED 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]1CCC(=O)N1)C2 1804373457 CKAOTLCDYQIAOQ-ZHCJQAHYSA-N 432.521 0.820 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)C1 1806003443 CGUXYWVMFPEEFW-GOSISDBHSA-N 439.578 0.682 30 20 ICED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1806613429 GQNIQPVCPPHYMZ-AUSIDOKSSA-N 445.479 0.691 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807853922 YAFPJZUKAYWEIU-CZAYHTPWSA-N 441.576 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810223554 PRSWEUWHLABUNC-HNAYVOBHSA-N 427.461 0.473 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810344366 XEAFWBYRWOSKPS-SVFBPWRDSA-N 429.473 0.996 30 20 ICED Cc1nnc(CCC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)s1 1812873934 HRFVHJLKRKXYIL-MGPUTAFESA-N 427.486 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817467087 YTRAIQSPCDTKNS-SWLSCSKDSA-N 438.448 0.485 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819715900 XQGHJEQIPWLKRM-NUTKFTJISA-N 438.550 0.279 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1819715961 DZNPHZXWFMMOOB-DOMZBBRYSA-N 431.518 0.885 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819773061 RZEVHSIBVVOERC-FQBLUUOYSA-N 447.521 0.125 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1823748599 YBNYWSISTMMOBM-TWEUYWRPSA-N 448.564 0.115 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC#N)CC2 1826647096 DSKGUQIUMBQMHP-SWLSCSKDSA-N 429.506 0.829 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828806021 ILGSAVUJIHRICY-QFIPXVFZSA-N 441.488 0.440 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1831392921 IGTIOLFLXYEJTM-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831394075 VQBIDEDGHAQFTN-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831409584 VOSWGUJGCRNPGA-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832209069 JNHUFCSMSBAWGO-JOCHJYFZSA-N 425.489 0.691 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833707406 FHNJAMMAXBNYIG-UHFFFAOYSA-N 433.578 0.734 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)n1cnnn1 1834715575 BWSQAMNENGUZJE-INIZCTEOSA-N 445.572 0.088 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918498 DZDVZESGMRRKHZ-KKLQWCBXSA-N 430.501 0.869 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835667749 OHBSTAJKQMQSHY-QFIPXVFZSA-N 435.569 0.066 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1835990516 UACZBMIHOVMCOF-QHCPKHFHSA-N 437.500 0.995 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5CC(O)C5)C4)C3)c2c1 1839486061 KDLYNLJJTLDODN-WTOQYCPUSA-N 439.472 0.275 30 20 ICED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)COC1 1839777530 VKRXANKAWIHLIE-QHCPKHFHSA-N 434.533 0.568 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840453795 WAFPJIOWMZDLCK-KSFYIVLOSA-N 439.472 0.819 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)c1=O 26640392 NENLTBVBHIDPPS-IBGZPJMESA-N 426.473 0.820 30 20 ICED C=CCn1c(=S)[nH]c2cc(C(=O)NCCS(=O)(=O)N3CCOCC3)ccc2c1=O 109635782 YCKSXBCCOQFJGH-UHFFFAOYSA-N 438.531 0.637 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)C1=O 440252971 HJCLQXOSJKSNEP-FQEVSTJZSA-N 441.532 0.535 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)C1=O 440261942 ZWEZRGVXUVPCAJ-YOEHRIQHSA-N 436.534 0.947 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCC(=O)OC 440385611 DRPRBBBPOSQUSD-UHFFFAOYSA-N 442.497 0.747 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)n1 444576047 ZVALCFHXYRGELV-UHFFFAOYSA-N 438.488 1.288 30 20 ICED CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1(C)C 447290298 LLYSIZOBQWDBON-VFNWGFHPSA-N 426.477 1.068 30 20 ICED CS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1Cl 472882552 BUACLVRUTIFETD-UHFFFAOYSA-N 442.925 0.756 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)cn1 473493810 YEEDAZJGPXACHQ-CQSZACIVSA-N 438.473 0.755 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C(C)C)c(=O)n2C2CC2)CC1 478854435 YWJRQVMAKQKXES-UHFFFAOYSA-N 440.573 0.689 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 480185971 VRZKDYHXPXRRLD-DZGCQCFKSA-N 428.536 0.155 30 20 ICED COc1ccc(C(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 480511109 KRQSJLUOUYQYMM-AWEZNQCLSA-N 430.486 0.780 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)o1 480951083 HATMKJIVABZMLL-UHFFFAOYSA-N 428.470 0.713 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 488728351 QYQYPKWLTFHJHK-UHFFFAOYSA-N 442.501 0.658 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 489008961 IAPZIFBERSVSLD-CYBMUJFWSA-N 438.490 0.988 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 502537082 FHFFVSBAVFDVCH-UHFFFAOYSA-N 443.529 0.992 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)nc1 509942142 RWFXTLCZTVXHSD-XEVCZEQESA-N 441.532 0.940 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)s1 531684110 UVCFBQSRYSWPAJ-UHFFFAOYSA-N 444.538 0.836 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1Cc1ccon1 531938427 APZOGKPOQBXPAL-UHFFFAOYSA-N 440.481 0.220 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 533058465 LVKBVTZYVZPOSS-VQTJNVASSA-N 434.562 0.638 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(CCC(=O)Nc3sccc3C#N)CC2)CC1 533238818 UAYJLMGRNOIIMK-UHFFFAOYSA-N 426.568 0.058 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 542438784 CDUJIVHPSVVWLH-HNAYVOBHSA-N 441.513 0.927 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 545403178 PTBMQZNKDXETGR-ZDUSSCGKSA-N 446.489 0.467 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 550464528 LTPIFIQHXRMNSM-OAHLLOKOSA-N 441.513 0.732 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 557804950 MDTZHJOBXLFPIK-CQSZACIVSA-N 436.577 0.739 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558055672 MLZARUFBZSRLBR-VQIMIIECSA-N 441.532 0.473 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)CC2)c1C#N 562101264 BQMTUWIEJUHSND-HZPDHXFCSA-N 429.525 0.012 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)c1C#N 569798787 SVZVDJCXEJUAJJ-UHFFFAOYSA-N 449.514 0.649 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCC(=O)NC23CCC3)CC1 570690710 YFBOVMFHGYUMJZ-GOSISDBHSA-N 445.545 0.182 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 590268238 DLQMWDSQMCHTPV-UHFFFAOYSA-N 426.521 0.764 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCO1 730073126 KCQQLYGPELCVNA-OAHLLOKOSA-N 433.490 0.627 30 20 ICED COC(=O)CN(CCN1CCOCC1)CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 732203867 KLWWUNPJMRMTAM-INIZCTEOSA-N 427.461 0.319 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c1 744553416 KSIZNERHFRDQSG-UHFFFAOYSA-N 428.492 0.020 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)CC1 747990883 ABBKYGFKYJQDFB-UHFFFAOYSA-N 442.516 0.860 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1 753988396 JHUFKSSKMPVISF-SFHVURJKSA-N 437.518 0.536 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C#N)C1 754381013 YZBMRJNLFZVESD-CYBMUJFWSA-N 434.474 0.803 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 758573339 DAYQBWBIZFZOMO-OVYBAWALSA-N 443.504 0.852 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945942 UIGPDUBIAMJBAZ-GFCCVEGCSA-N 444.444 0.244 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 778770087 XCEVOJRZLDRCCA-QGZVFWFLSA-N 433.424 0.856 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)CC1 779314069 DXNCLTKGTCFIQA-UHFFFAOYSA-N 429.539 0.854 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)nc12 781997365 BHQJFLVSNQFWAE-UHFFFAOYSA-N 443.441 0.684 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 783244896 NXGYXOVZWRCBAQ-UHFFFAOYSA-N 425.420 0.619 30 20 ICED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 784634675 OJMHZOUZMVZLHP-CYBMUJFWSA-N 437.489 0.901 30 20 ICED C[C@H](CC(=O)Nc1cccc(NC(=O)C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 801511427 BSVUUQNYRCCUAA-LLVKDONJSA-N 429.458 0.566 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807349253 DUDVJCIAVHFVLE-TZMCWYRMSA-N 426.470 0.891 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 853724207 ZYFXMGHMDGCWSB-UHFFFAOYSA-N 444.425 0.877 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 893879116 CKXFQMGESHQFAT-GFCCVEGCSA-N 440.478 0.257 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 917065232 LAIUEKOZEUQNPM-PMACEKPBSA-N 447.557 0.733 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1=O 917200718 JTVIZJJKUFZAQY-GJZGRUSLSA-N 443.479 0.971 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCNC2=O)cc1 1175969516 OIFORZFNVCPUKR-UHFFFAOYSA-N 427.486 0.961 30 20 ICED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F 1212136950 YSAGENGDAHGBPX-CYBMUJFWSA-N 436.458 0.966 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1302466762 RWYDTJHNLYOFGX-KRWDZBQOSA-N 443.533 0.902 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1303405242 MRQUDCUWUAGGSA-WBVHZDCISA-N 449.581 0.418 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)CC2=O)cc1 1325053203 XMWUHALLVLTERP-HKUYNNGSSA-N 446.529 0.564 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1326873144 ICKNVSNTOLGYSP-UHFFFAOYSA-N 429.505 0.725 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC(=O)N2CCOCC2)cc1 1505319060 QEHSALIWFGTGQQ-UHFFFAOYSA-N 426.477 0.814 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCN(C)C1 1516590870 WGWMJJLOGHSVBH-OAQYLSRUSA-N 426.525 0.474 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555985733 VMAXQYYWRKRZSD-OALUTQOASA-N 437.472 1.000 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1612212618 MYMRASCRGUDKPO-CVEARBPZSA-N 431.522 0.659 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1618827961 WPGGMPBUQPWGAX-BTYIYWSLSA-N 425.493 0.818 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692666985 YYKLQOIKQGAPSZ-KFWWJZLASA-N 444.583 0.200 30 20 ICED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1697025852 OZGXXBCEFMDGTB-UHFFFAOYSA-N 437.551 0.559 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1750390575 SAZHRPOIWMWEPZ-HZPDHXFCSA-N 441.579 0.745 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1767625997 ITBZYCZKOUWIFA-OAQYLSRUSA-N 435.492 0.983 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1=O 1769896858 SPRCMVLKQXUFLV-UHFFFAOYSA-N 435.492 0.794 30 20 ICED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771356735 ULDOWPMWHQGXQW-DLBZAZTESA-N 444.517 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1778762971 LXZUAKJPHBSTMT-FUMRIQNTSA-N 437.500 0.875 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779318903 MXZRFVHAUPGYNJ-DENIHFKCSA-N 428.489 0.461 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428846 QENBITRPCYFJPY-XTOGTWAJSA-N 440.497 0.385 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c(C#N)c1 1781174021 ZSIQZRTVTBNHDF-JOCHJYFZSA-N 437.456 0.749 30 20 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CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C 1838149200 FCIFWOSZRMUKNA-JOCHJYFZSA-N 446.552 0.563 30 20 ICED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1838409292 FIQHMLUJUWBYSP-YQCVNYCESA-N 430.505 0.833 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1838737170 MAZCUTLLJFBJAP-NRFANRHFSA-N 435.444 0.313 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826850 BLGVDHACUZOILW-JLDPKJTDSA-N 448.480 0.465 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1838906096 PXIPDNRSDLVLFG-NFBKMPQASA-N 435.484 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1839176612 YFKQVRPEBXPSBY-QFIPXVFZSA-N 446.504 0.409 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421202 BEQGXGCGUXCHMC-QRQCRPRQSA-N 444.463 0.458 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839856994 ITVPLCIAIWARTC-QFIPXVFZSA-N 428.489 0.083 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840168919 YMXOBLHAYMPINB-DHIUTWEWSA-N 441.484 0.981 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)O2)C1 1841080892 YELTXLNJRIYNMO-HNNXBMFYSA-N 447.488 0.446 30 20 ICED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)cc1 1841894720 HQXNSOZPAZFYBX-UHFFFAOYSA-N 430.530 0.300 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315657 QEOMEJXUBIWFHS-WVCJYUAVSA-N 426.477 0.372 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844718667 BDXUYBDZWKFHPP-UHFFFAOYSA-N 442.516 0.935 30 20 ICED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796571 NKBFAWMVJIRIOO-UHFFFAOYSA-N 448.520 0.790 30 20 ICED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 19141522 LZURXSVDZOXKFN-UHFFFAOYSA-N 443.865 0.942 30 20 ICED N#Cc1c(CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)nn(-c2ccc(F)cc2)c1N 25166021 PDPRITDILRIQID-UHFFFAOYSA-N 449.512 0.430 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)cc1 26879286 HICUSCWJTSCZSS-OAHLLOKOSA-N 443.572 0.311 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410200283 SMRYLUKPZROQRK-IRXDYDNUSA-N 437.570 0.598 30 20 ICED C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433585633 OOTNSYYVVOVMBS-HNNXBMFYSA-N 439.501 0.648 30 20 ICED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 436131712 KIKOAXAFCKFSNY-ZDUSSCGKSA-N 430.889 0.536 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 444058038 NAPFREIXOCMICR-CQSZACIVSA-N 434.561 0.491 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 446137230 HSNMXYLVBDBYPE-FZMZJTMJSA-N 437.478 0.494 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)Nc3ccccc3SCC(N)=O)CC2)c1C#N 472148890 BJYHBADJLACMAQ-UHFFFAOYSA-N 427.534 0.938 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NCC(=O)N[C@H](C)c3ccc(F)cc3)CC2)c1C#N 472154111 KNEVXXHGLUTSNU-OAHLLOKOSA-N 441.511 0.855 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@H](CC)C(=O)N2CCOCC2)c(C#N)cn1CCOC 481488809 GQJCDRLRGIUGCK-OAHLLOKOSA-N 435.481 0.942 30 20 ICED C=CCOC[C@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OC 481762293 AMZWOHIYGBMIJC-ZDUSSCGKSA-N 446.241 0.881 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 489228581 YNVNPNAWEFOVLD-QGZVFWFLSA-N 432.440 0.035 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 505657161 CPDSPIHSCBBAGB-HUUCEWRRSA-N 428.514 0.097 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 508724486 SGQCNUDWOOTPSR-UHFFFAOYSA-N 436.520 0.636 30 20 ICED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508996016 MVNWQMLVJRDATC-KRWDZBQOSA-N 447.584 0.752 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)nc1 509953446 AVVJIMKGGPJXPN-NALMEZQBSA-N 446.529 0.795 30 20 ICED COCCN(CC(=O)OC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512266415 SYLKADKDCZJPIB-UHFFFAOYSA-N 431.449 0.576 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3cnccc3C#N)CC2)CC1 518050723 OLKORDAFLXHXBI-UHFFFAOYSA-N 427.553 0.134 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOCC 522283391 FBYMJSYDQSPPKE-UHFFFAOYSA-N 443.525 0.769 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 527129923 NCFGGAFHDSCUBW-UHFFFAOYSA-N 437.460 0.360 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCCO1 533883408 VVJODGXZOXGOBW-CQSZACIVSA-N 433.555 0.806 30 20 ICED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)C1=O 542074541 NJPUEFAGPGQQOM-UHFFFAOYSA-N 439.407 0.364 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc(OCC)n2)c1=O 547961933 DVJRTUYWUYHODO-OAHLLOKOSA-N 443.525 0.849 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(F)c1 548370332 OMFAECXGRAKZLX-UHFFFAOYSA-N 444.470 0.429 30 20 ICED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Oc1ccc(Br)cc1 556405787 DLKOTOGTEFYQBX-UONOGXRCSA-N 448.295 0.428 30 20 ICED C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 559006448 SGPGOVZFSWKPRW-UHFFFAOYSA-N 438.452 0.765 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 563752636 BQWTWDZSZOBFJS-UHFFFAOYSA-N 433.428 0.519 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCN(Cc3ccccc3)CC2)c1=O 566716922 QYMVSNYEUZNRLJ-UHFFFAOYSA-N 435.528 0.897 30 20 ICED CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 568345303 HEHSYNVVFSCGTI-KRWDZBQOSA-N 439.537 0.702 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 583643703 UVFKOAFAIOEVPD-HUUCEWRRSA-N 426.543 0.292 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2=O)cc1 588869835 OLUGLVMEFNAFBM-FHWLQOOXSA-N 426.473 0.182 30 20 ICED CN(CC(=O)Nc1nnc(NS(C)(=O)=O)s1)S(=O)(=O)c1ccc(C#N)cc1 604108736 SPYLDJDRDUHGHX-UHFFFAOYSA-N 430.493 0.040 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 609282882 DOXMFNFSCRWFLR-AWEZNQCLSA-N 437.522 0.473 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC1 685103763 QFRJQJJVUDQNIR-UHFFFAOYSA-N 437.338 0.820 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccc(C(F)(F)F)c1 726575101 FSKMZIATWBAGNR-UHFFFAOYSA-N 447.442 0.959 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OC(F)F)c1=O 727163300 UKFSSICBOXAVSO-UHFFFAOYSA-N 440.453 0.087 30 20 ICED CCS(=O)(=O)CC(C)=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 733745736 SRXQIJTWGUSVHQ-UHFFFAOYSA-N 434.496 0.838 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1 743932734 AXZHCSQYFWZUCP-ZOAKPAGHSA-N 448.505 0.021 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037106 NFYJABSUELNDDZ-DBDQLMEASA-N 425.441 0.573 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 755543736 CSGBSUSXFGONAL-ZBFHGGJFSA-N 429.477 0.789 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OCC(N)=O 762006613 ODUKGEXODWLVJR-LJQANCHMSA-N 438.440 0.970 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 767399629 WCCMJQIKKSOBDO-UHFFFAOYSA-N 439.465 0.522 30 20 ICED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O)C1CC1 768752261 WPWMYPLEXYQUHH-OALUTQOASA-N 434.449 0.559 30 20 ICED Cc1c(C#N)cccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 770290064 LGEWMEQXEOGDNX-OAHLLOKOSA-N 426.520 0.533 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 777216476 ADFZQXYBCLGEOJ-JKSUJKDBSA-N 425.507 0.442 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)c1 779478552 DVGXTFCYRCOCIL-FOIQADDNSA-N 429.498 0.759 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 784718665 RXRXACMZGOQLEQ-IBGZPJMESA-N 426.498 0.914 30 20 ICED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 784964923 VDGMODWDDOGLSK-UFPHYQGISA-N 435.506 0.127 30 20 ICED N#C[C@@H](C(=O)Cc1ccccc1I)C(=O)N1CCS(=O)(=O)CC1 797023976 OUIOZAAATVIGJY-LBPRGKRZSA-N 446.266 0.800 30 20 ICED CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 799998174 YMKUKEYGWIJPRX-GOSISDBHSA-N 437.522 0.253 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1nc(-c2ccccc2)no1 804121510 KIIDPZYCHLDCEW-AWEZNQCLSA-N 427.442 0.625 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C2 807371313 GLSUDPWJFHRXBB-HOTGVXAUSA-N 431.468 0.866 30 20 ICED C#C[C@@H](NC(=O)C(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@H]1CCCO1 809312493 ZQYFWFXUBSOGBZ-GDBMZVCRSA-N 442.472 0.998 30 20 ICED C/N=C(/NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)NCCN1CCOCC1 849097291 NCQHACKXENXIBB-UHFFFAOYSA-N 447.580 0.866 30 20 ICED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 856693747 JVYPKCDBJYEKAV-ZFWWWQNUSA-N 436.490 0.148 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ncn3nccc3c2=O)c1 1116049977 DDRGKOHVHNJEOM-CJLVFECKSA-N 429.462 0.343 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1130836403 JESHQNJTVOBPKX-UHFFFAOYSA-N 431.312 0.650 30 20 ICED N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CCCN(S(N)(=O)=O)C4)CC3)n[nH]2)cc1 1146298129 JQLJHICTIBIRKX-QGZVFWFLSA-N 443.533 0.512 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1318516206 JSFOGBAZCIJECY-QZQOTICOSA-N 446.552 0.489 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541113546 XXWMPTIJNDIHLN-BRWVUGGUSA-N 430.557 0.768 30 20 ICED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1619769129 VTLPHQRLGBEFGC-KDOFPFPSSA-N 428.559 0.806 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c(=O)nc1O 1633271033 WQLZMVKZGGHXJG-HNNXBMFYSA-N 435.362 0.929 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1767768060 LXHPKKFYLTWZOJ-UHFFFAOYSA-N 433.538 0.717 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779073221 IJQLPYNDHFFCOJ-HQRVVKCNSA-N 449.460 0.023 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101564 RKSKWUNLSZNCHW-FFAXYAMNSA-N 445.476 0.153 30 20 ICED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1779897503 HVUAQYGIUGNGRC-JOCHJYFZSA-N 428.489 0.627 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1780101617 GXHXHVRQYPGNOT-VQHJOYQZSA-N 432.477 0.358 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c(C#N)c1 1781176280 ZBXUTYAXOYJEQG-OPAMFIHVSA-N 438.488 0.792 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298692 PJWPWDKASSUMIS-QFIPXVFZSA-N 430.480 0.842 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567652 NWQWBUGALGKGTR-BTYIYWSLSA-N 431.468 0.885 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3OCC[C@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054247 CRJNFKWIPMABNO-PMECCGAFSA-N 447.532 0.864 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349245 BIMHNCIGPPYGNV-CQXWKZFQSA-N 428.537 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352867 UVTABJTWOXIGRR-KSFYIVLOSA-N 430.505 0.854 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788110923 LHAADZVPXADASQ-BZSNNMDCSA-N 425.551 0.051 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602002 IFRLDUSTUSRQDQ-VFBSRRPISA-N 442.582 0.119 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907416 HUKLNVWXFAPEPW-BPODSCFKSA-N 430.480 0.744 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142011 TVALEURODGSNEF-FHWLQOOXSA-N 433.530 0.781 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21)n1cnnn1 1791685927 VBDWAIUVRMWHOP-TTYHFUOFSA-N 437.504 0.718 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1792630207 BPXFSCAJPAKRNI-XOIINTDNSA-N 434.518 0.379 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1793593346 HMGNHAWOMYWYFP-SFNKJDCFSA-N 447.536 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C(C)C)CC1 1793796650 GKURGLVCQVEWKY-TUVZZLAOSA-N 432.565 0.555 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCSC(=N)N)c2c1 1795590936 ICCNQPYQIKMBLS-FVCICTRLSA-N 441.517 0.655 30 20 ICED N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cccnc1 1795682580 QAIRPQDEHRAUMQ-LZAPTDBGSA-N 425.489 0.773 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1797608590 LCNKODDKUGXZHV-MOCMYQBTSA-N 433.530 0.929 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)cc1 1797621686 DKVOGMYVJPCLBT-UPHUGPLXSA-N 437.504 0.414 30 20 ICED O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797886690 HWDLENPUPCKXCB-WRGDSQCOSA-N 428.493 0.081 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)c1 1798573819 QWHYBWQJFSNRMY-UEILYKACSA-N 449.529 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)OC)[C@H]1c1cccnc1 1802497392 GYUJRXDKKRTIIM-KVWGNXHNSA-N 429.477 0.302 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1802679716 JMZJWJCNSITFTN-BETYUBHXSA-N 443.552 0.830 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@H]1c1cccnc1 1812524365 LKGJBIDBOYGIJT-MWRLGJARSA-N 434.496 0.900 30 20 ICED COCCOCCOCCOCC(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1812941625 RUMOTAPCSMEXOA-KNQAVFIVSA-N 448.520 0.697 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1 1819242689 YESHHKQLLOGXLO-RHSMWYFYSA-N 429.437 0.980 30 20 ICED O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)C(=O)N1 1819475923 GKCOWWSBRPNWBB-MNPVBQOISA-N 441.448 0.666 30 20 ICED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)cc1 1820551689 VNDIBHXCQYSJHC-LJQANCHMSA-N 440.504 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1824491633 WLDKWTNIPXXIOW-IEBWSBKVSA-N 429.517 0.960 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630142 UBCPIOUQGFBJOR-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 1829764946 DDNRRJGPTFEHDC-YLNCNTMDSA-N 445.491 0.683 30 20 ICED COc1ccc([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830455198 MOBBZXCXMKBLKO-ZHRRBRCNSA-N 430.457 0.343 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)s1 1831218041 IMYIJUMVEGDOMG-QFIPXVFZSA-N 446.525 0.947 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831439026 ULFLGOWJTMQTBH-WMZOPIPTSA-N 434.580 0.303 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831490991 ROQQJRRSAPNQKP-RXVVDRJESA-N 436.578 0.933 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cccc1=O 1833873103 PHCHKHXLDLWAKB-QHCPKHFHSA-N 436.468 0.641 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1834158882 XLOOVMYCEALTOH-OAQYLSRUSA-N 432.525 0.080 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834531535 DRDCDRXVHZFRQJ-SFHVURJKSA-N 426.420 0.767 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1835672942 OEKVMZJHFXASSL-OAQYLSRUSA-N 433.484 0.573 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053188 WMVALQJFRNXDBP-UWJYYQICSA-N 433.509 0.667 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1837395236 URXZQWJESYRNRW-BTYIYWSLSA-N 434.493 0.128 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1837396053 ATNHINUCXHSSDB-LAUBAEHRSA-N 437.493 0.464 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837445077 BIRFLYGFAFTEBZ-BCVDLATCSA-N 448.480 0.465 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C1(O)CCC1 1837486646 LJUQAOCRTJIBIZ-WMZHIEFXSA-N 448.560 0.693 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837525651 YCPBCCKFGNIPKM-AWTNKVQXSA-N 449.508 0.328 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)COC1 1837527233 ZAFQETJNUGLIIM-UFPODPAQSA-N 425.482 0.008 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837531435 MSDJAQCILQKXAR-HFSPCEDCSA-N 449.508 0.246 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1837615309 GQFWPNPCORNHEL-HYBUGGRVSA-N 438.480 0.728 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625589 ANVYFBGXTFYIEJ-IERDGZPVSA-N 432.477 0.068 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838384907 NCGQSGAALFAEPG-SFHVURJKSA-N 432.521 0.955 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507428 UBJVWSJGATUTQR-LJQANCHMSA-N 430.490 0.706 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767659 NZICHIHDYPUXHL-KRWDZBQOSA-N 429.399 0.697 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906510 NDOICBVSXAXWHG-QFIPXVFZSA-N 437.456 0.741 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839226025 BMOLKWYZZRGSNJ-LIRRHRJNSA-N 437.453 0.794 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1839226403 NPPUBTGWETWCIM-YWZLYKJASA-N 437.497 0.300 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420698 YERMSRJPQVSWAB-QFIPXVFZSA-N 441.463 0.744 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839878726 GOPMGXAZVYPKMH-QKKBWIMNSA-N 448.907 0.806 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1)C(F)(F)F 1839891405 CZXUUZOCFSVAAW-LRDDRELGSA-N 442.456 0.242 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840174695 SLYPINYRKARBOY-NRFANRHFSA-N 441.525 0.560 30 20 ICED CSc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840304235 ZSYXGYGJAGLBFM-OAQYLSRUSA-N 432.498 0.495 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840359022 DZXJOQLKCLQWEA-JOCHJYFZSA-N 438.488 0.619 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCc5nc[nH]c5C4)CCO3)C2)CCC1 1840366276 SYSSVQRZCBATFH-KSFYIVLOSA-N 427.505 0.665 30 20 ICED C=CC[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 1847940541 SNCHVZUJXATEEF-XGUBFFRZSA-N 449.508 0.256 30 20 ICED COCCCS(=O)(=O)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 432693649 QTHQUQCNTCZYIB-UHFFFAOYSA-N 437.478 0.411 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 442242262 RVWOKUSDGBVVMV-UHFFFAOYSA-N 428.470 0.836 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2cccnc2)CC1 460623088 YTZRGZAHHAMEQR-UHFFFAOYSA-N 430.472 1.125 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 461851965 BRUYSAOWWBHNRH-UHFFFAOYSA-N 442.497 0.828 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 483783361 HJEAMXZXBKIQBY-UHFFFAOYSA-N 428.470 0.717 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2)CC1 484514553 NIGTXYLEMXTZGF-UHFFFAOYSA-N 439.310 0.984 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265942 OZEBLGMOARKWOF-PMACEKPBSA-N 438.532 0.607 30 20 ICED N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F 488667053 JZRILYOMRIQTDN-UHFFFAOYSA-N 428.423 0.862 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 490824426 MZRXKCVPKCWEOB-UHFFFAOYSA-N 441.455 0.752 30 20 ICED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 506716467 YYVJVBRUPBTOOS-CQSZACIVSA-N 448.480 0.704 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507578192 NWXHMBRWQSSHMM-UHFFFAOYSA-N 427.552 0.769 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C)CC2)C[C@@H](C)O1 508589535 FRYNJDMJOBMFPB-HZPDHXFCSA-N 445.549 0.830 30 20 ICED C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508835419 ZRYYDSQVZUFKDB-UHFFFAOYSA-N 439.480 0.484 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 508882189 VXCXOUNBFNNXDI-KRWDZBQOSA-N 448.549 0.544 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C1=O 509523426 JYTWXAISVQSXEK-UYAOXDASSA-N 427.549 0.559 30 20 ICED CN(C)CCN1C[C@@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 510367570 QXDFTUGBYMFGLO-HNNXBMFYSA-N 441.511 0.924 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513300986 KNJYTRACFLFDDQ-ZDUSSCGKSA-N 448.480 0.750 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 515022144 CNAXXEGRMVGFCH-UHFFFAOYSA-N 426.454 0.591 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOCC 523745093 JLCKMGPCUQCNBY-UHFFFAOYSA-N 443.525 0.747 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c(C)c1OC 554404953 LSEFFSHDIDSUOF-UHFFFAOYSA-N 443.525 0.839 30 20 ICED C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559010703 NSQIRPUFCNZKJO-OAHLLOKOSA-N 426.477 0.589 30 20 ICED C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 575155695 WFYJKNXNWFAFCY-PBHICJAKSA-N 427.505 0.931 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 590216202 RZWYNKRHBNFJKN-UHFFFAOYSA-N 444.311 0.210 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 590996881 BUAXGFYSUOSLDE-UHFFFAOYSA-N 426.454 0.515 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 606056722 SWHWJTLWIUSNOX-UHFFFAOYSA-N 444.536 0.849 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 609484909 GWZXVYQLCKXWEK-FQEVSTJZSA-N 449.577 0.812 30 20 ICED C[C@]1(C2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)NC(=O)NC1=O 610658796 DNWYSZFBLFLYBY-OAQYLSRUSA-N 425.493 0.942 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c1F 669652972 DWEBSVSBGGAAAQ-UHFFFAOYSA-N 429.473 0.805 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)C1=O 671062086 KKODACATCVMEAV-SJORKVTESA-N 430.505 0.624 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 727014137 TWQWGRQCYLDAGL-UHFFFAOYSA-N 436.384 0.202 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1F 730218666 OMOKLUJJERWODV-KRWDZBQOSA-N 438.525 0.844 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 732452076 YZPIXAWPBMKFRE-VHEBQXMUSA-N 447.517 0.797 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 733148991 STCKRFNSHJWTIE-OAHLLOKOSA-N 447.517 0.545 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cn(C)nn2)C(=O)/C(=C/c2cn(C)nn2)C1 741467451 OEBQFSVMKPMOOW-FUJGBLOQSA-N 443.493 0.024 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 756763388 ZHMLRXHACRMXEV-LSDHHAIUSA-N 433.490 0.965 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758097012 ZBYWVSVDBUAUBE-MRXNPFEDSA-N 429.546 0.723 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 758596285 ZKVFYULDQJOUMY-ZFWWWQNUSA-N 438.510 0.418 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 758641515 BPULJZJZOMRIBQ-RISCZKNCSA-N 430.508 0.371 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CCO2)c1 762010245 FGCFMALSYNRVDQ-SFHVURJKSA-N 435.440 0.312 30 20 ICED N#CCOc1ccc(Cl)cc1COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 762914703 ZVMRQVTXKRFPJE-UHFFFAOYSA-N 426.838 0.691 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 766245431 DMGDYHOMKHLEGS-YSIASYRMSA-N 434.562 0.406 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCC(=O)OC)c2=O)cn1 772277641 DMZMNWRPDWFCGY-UHFFFAOYSA-N 429.502 0.188 30 20 ICED CC(C)CN1N=C(C(=O)NCC#CCNC(=O)C2=NN(CC(C)C)C(=O)CC2)CCC1=O 773801128 ZDIXBSMTLAIBKZ-UHFFFAOYSA-N 444.536 0.491 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)c1 777172899 DZDBYWQPEUFCRH-JRCVOMKHSA-N 445.505 0.503 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)n1 789787762 CJCMROYGMRUFJW-UHFFFAOYSA-N 446.471 0.891 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)cnn3C)c2=O)cc1 795194891 WIWCPQHFTQHADF-UHFFFAOYSA-N 437.525 0.977 30 20 ICED C[C@@H](C#N)OCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 801848599 KKUBNLCEGJNCTM-HNNXBMFYSA-N 441.481 0.911 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806759403 JRWULVQHWIMKCX-RHSMWYFYSA-N 443.504 0.805 30 20 ICED CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1[C@@H]1COc2ccccc2O1 814741905 UHIJLWQECDYZGJ-ZDUSSCGKSA-N 435.491 0.813 30 20 ICED CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1190265923 XDADUCHLODXZTE-UHFFFAOYSA-N 429.520 0.842 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1288776169 LBVHHXIGADBUEL-CQSZACIVSA-N 445.549 0.923 30 20 ICED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1297787816 PUNPWAJNQYFAJJ-UHFFFAOYSA-N 445.549 0.848 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1ccccc1C#N 1317876991 BUWPNAOUWXMTQP-UHFFFAOYSA-N 438.487 0.036 30 20 ICED O=S1(=O)N/C(=N/C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c2ccccc21 1324697788 FVAIKXITCCBXCV-UHFFFAOYSA-N 435.483 0.569 30 20 ICED CN1CCN(C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)CC1 1327834900 WSVYGBWXHJNHGT-OQLSDQBISA-N 426.521 0.801 30 20 ICED C=C(Cl)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359157485 KSBIIAMBFHVVOK-IBGZPJMESA-N 426.949 0.893 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1505315836 SYNSWVUDXYUSSY-YOEHRIQHSA-N 445.542 0.447 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)CCCO1 1510217306 IBLXDEQPKANXMA-URLQWDBASA-N 437.570 0.634 30 20 ICED N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1521138142 ZGTOZEBPRISGRE-PXNSSMCTSA-N 431.518 0.342 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1541946054 PBWKILZSOGEMPK-DZGCQCFKSA-N 434.526 0.126 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC(=O)N(C)C 1612884934 IRNKCUDMYGYUGG-HNNXBMFYSA-N 432.492 0.805 30 20 ICED CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1645149114 ZIFRKWJNWQLYPV-OAQYLSRUSA-N 433.512 0.790 30 20 ICED Cn1cc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 1677634380 WBAUFRNFBXPMEL-UHFFFAOYSA-N 432.506 0.420 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690229466 WYYTYZMSLGRMNW-OLZOCXBDSA-N 444.355 0.900 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1697035236 YEDMDWLDKMZYOA-UHFFFAOYSA-N 429.550 0.978 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1707951314 IZVMHWQKWDAWOF-AWEZNQCLSA-N 431.522 0.375 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1710898307 YAMXRFHZQVFWDL-KRWDZBQOSA-N 445.549 0.718 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1763274004 IUWOGUSXUYYVMX-LBUQITIBSA-N 440.504 0.970 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1771529599 QRNGLNUCZMUHOY-MAUKXSAKSA-N 426.518 0.344 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779018769 GGEOPKUEJKOWHG-GWJNGDFSSA-N 446.508 0.014 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779063161 QTCHYGRKBVTRLI-QHCPKHFHSA-N 437.500 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1781267910 ALFMFRDRRALUSI-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1781269145 AAWPXAINRXCPID-NRFANRHFSA-N 432.477 0.619 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1781271498 CKWZLLCRPCCDFY-AUSIDOKSSA-N 430.501 0.929 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1782056903 KAMJGVWSQPXZOY-QHCPKHFHSA-N 425.533 0.558 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1784115222 JNCYMLGVLDSXRR-NLFFAJNJSA-N 449.507 0.939 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786369919 AWKXGZBPVITECV-KSWRQPAISA-N 436.509 0.108 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563989 HMYTUDRNTHJZNY-KGYLXKDPSA-N 428.485 0.634 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788678236 SZIAWUCRPIESFC-AQMMJQRQSA-N 426.473 0.540 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)cc1 1791312290 AMWCZYSOAUAVRH-JYJNAYRXSA-N 438.406 0.830 30 20 ICED CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)CC1 1792293150 DIUQZEWSLMKEOY-UFYCRDLUSA-N 433.597 0.980 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793168519 QAJQJNXCXNYQRG-FZKCQIBNSA-N 441.525 0.664 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1793346364 NKYLAPBMRYKZPJ-FLTUCWPJSA-N 441.444 0.713 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)c1ccc(O)cc1 1793419440 PDNKRKYWYCSXIZ-GOBLKYCHSA-N 441.484 0.587 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1797589246 GZXFKXHYKXNDIW-GELNYDQASA-N 444.488 0.581 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1797653159 QMVRPQLKEOBOGP-SFNKJDCFSA-N 430.505 0.615 30 20 ICED N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)c1cccnc1 1797741080 YWTMHTJDMGVAAU-FAPPWKDGSA-N 428.537 0.533 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cccc1=O 1797781601 USUPADCVCVASFL-UPHUGPLXSA-N 427.501 0.287 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1800545905 MJMUHLHXAMARCF-YWVIFJGQSA-N 440.403 0.558 30 20 ICED CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1800876068 INXRVMOQKAPYOW-BCDXTJNWSA-N 435.532 0.934 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801372511 GBHBXHCAVBDEHD-FTSVGQHTSA-N 433.509 0.638 30 20 ICED C#CCCC(=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 1802025388 YSNGFBIGEQRBFU-OYNZLANYSA-N 435.521 0.217 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806866313 SNDXJVGEOGEMGA-BJLQDIEVSA-N 430.461 0.886 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1)C(F)(F)F 1812679110 CQLLFOJKBUSDPM-BQFCYCMXSA-N 442.438 0.857 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)n2cnnn2)[nH]n1 1814439236 DGLIVQDCBGLFNX-JVCLFCCPSA-N 427.469 0.508 30 20 ICED CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1817016165 MBPWMPJSWKMDEH-RYUDHWBXSA-N 435.554 0.784 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452308 JUVJYYYDWUCUDB-BDKZABQWSA-N 446.512 0.771 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1 1822200214 CMEMGONDHPUOOP-CYBMUJFWSA-N 435.400 0.207 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830297214 ULYRSKQFMMPCCZ-AOMKIAJQSA-N 435.521 0.769 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)c(=O)[nH]c1C 1833386199 PKXCJXPFSGWWTA-OXJNMPFZSA-N 438.550 0.411 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C(=O)OCC)CC3)CC2)CC1 1833469446 XKASTWQFZKPIRV-KRWDZBQOSA-N 433.549 0.940 30 20 ICED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833492218 PYKIXXGSSGFSBK-GOSISDBHSA-N 443.683 0.996 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835364387 SXEGIDDACMXTMA-QFIPXVFZSA-N 429.473 0.776 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835914672 UUOMFLDXSQYAGZ-KNQAVFIVSA-N 432.496 0.694 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC)nn3)CC2)CC1 1836054177 BLGPLVQVBBWTJB-MRXNPFEDSA-N 429.521 0.709 30 20 ICED C=CCC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836534521 QEWWVLMQSGXSRH-UHFFFAOYSA-N 441.479 0.321 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836672715 XYDKQMHLLBRFPM-NZQKXSOJSA-N 434.581 0.459 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837401045 STNWNJQOEAIJDO-ZHRRBRCNSA-N 447.488 0.453 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837524389 HDWMTZCXFOSXFQ-VJIOCRDPSA-N 446.504 0.989 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561232 DZWZODIPCIUSAV-WVYFQRGSSA-N 447.467 0.650 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632070 FNLLGDKBQDRUDQ-IBGZPJMESA-N 438.431 0.688 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1837979352 MNJKZRLVFMLAFX-OAQYLSRUSA-N 425.445 0.674 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838653336 KCPGYEVAGSSVTC-MRXNPFEDSA-N 448.520 0.711 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739940 BMMOQUZEGZFMHW-XOBRGWDASA-N 434.449 0.518 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741784 BLFXVPLQBDJRIB-AOMKIAJQSA-N 439.472 0.819 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838908294 RYWVVQXXHNTPFW-OAQYLSRUSA-N 427.457 0.581 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1)CCO2 1839331688 OJWNMYHZLDJDAB-FQEVSTJZSA-N 438.383 0.446 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccncn5)C4)C3)c2c1 1839488024 SEFPQETWRGZSKE-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839610101 VTCIQRCOHBGMNC-LHSJRXKWSA-N 433.530 0.960 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1839807358 URBSYHDSYTWPEH-IIBYNOLFSA-N 431.514 0.186 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839889362 QVUMIOCUIHMWBS-DNVCBOLYSA-N 439.463 0.945 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840165396 WORLGYSPYXLKTK-JBBWMNLRSA-N 438.502 0.591 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(c3cc(OC)ncn3)CC2)C1 1841459460 RPKBWBIMOPUPAX-QGZVFWFLSA-N 441.532 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842239666 AWVQXHJDPDDHEB-FPLPWBNLSA-N 446.529 0.302 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)n(C(C)C)n2)C1 1842259553 VOEWKPFYLGGFGJ-SREVYHEPSA-N 429.477 0.838 30 20 ICED N#CCCC(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1842814867 KHGXIBVIZVNGCO-UHFFFAOYSA-N 446.529 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C(C)(C)n2nc(C)ccc2=O)C1 1844352975 TWLVWFIFYGDLOH-NTMALXAHSA-N 427.505 0.349 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)c1=O 25521627 MLYVLRHLOVQOLS-UHFFFAOYSA-N 434.474 0.647 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cc1 62023453 ORDJTUXHRWQXON-UHFFFAOYSA-N 444.513 0.978 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 409535675 ICIRRPLAQVCINF-CYBMUJFWSA-N 433.556 0.714 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CCO1 410147033 GQURHPQVJXDUQV-PMACEKPBSA-N 428.514 0.973 30 20 ICED CN(Cc1ncnn1CC(F)F)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 427905663 OEFDGIGXCITGRF-UHFFFAOYSA-N 432.366 1.337 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccc(C(=O)OCC)cc3NC(=O)[C@@H]2C)C1=O 428178088 RDGYSGVGKVJUAE-NSHDSACASA-N 428.401 0.514 30 20 ICED CN(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)CNC(=O)c1ccc(C#N)cc1 438364956 ARISRAQUARHDAU-UHFFFAOYSA-N 446.467 0.164 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 438755349 LLPNUXGPXUSRDY-UHFFFAOYSA-N 443.529 0.986 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)nc1 441927205 CHZXGJFZMYORFD-INIZCTEOSA-N 440.525 0.012 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443277388 NZXDXIQABXKPIU-UHFFFAOYSA-N 434.396 0.889 30 20 ICED Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 443334825 RANDGAHGYUFWCA-UHFFFAOYSA-N 428.493 0.538 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cnn1-c1cccc(C#N)c1 443747698 MPZQGTQKKYPTAY-GOSISDBHSA-N 438.488 0.998 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 445724749 OSHOBVAKZJGUPI-UHFFFAOYSA-N 440.469 0.839 30 20 ICED C=CCN(C(=O)N=c1nc(CS(C)(=O)=O)[nH]o1)[C@@H](C)c1cccc(-n2cnnn2)c1 462279599 UIXNBGMAHKGHAF-LBPRGKRZSA-N 432.466 0.793 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 465134260 WOEXQMOPCGMOEE-OAHLLOKOSA-N 432.492 0.740 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCCC1 475563860 HFPNRUSOAZVRLZ-UHFFFAOYSA-N 444.535 0.489 30 20 ICED CCn1c(=O)c(C(=O)CSc2nnc(CC#N)n2C)c(N)n(Cc2ccccc2)c1=O 477078919 UMLNTWHJLGRNCE-UHFFFAOYSA-N 439.501 0.830 30 20 ICED C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 481768243 ZPGUKAAUJGMZBO-RVKKMQEKSA-N 440.518 0.959 30 20 ICED Cc1cc(N(CCC#N)C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)ccc1Cl 482051088 UIPJKXKCACQXDX-OAHLLOKOSA-N 432.868 0.922 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 491196203 BAXVSBRDRTTZCX-UHFFFAOYSA-N 445.589 0.933 30 20 ICED CN(CCCNC(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1)S(C)(=O)=O 497442229 FIBRCMIPUMRCCD-UHFFFAOYSA-N 444.561 0.626 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 509383957 DUCLXSQVKTWUGG-UHFFFAOYSA-N 443.554 0.657 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C2CC2)CC1 514913897 ALTVWGIYJQFRBE-UHFFFAOYSA-N 438.553 0.920 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542330244 FLZLROJFQBAGQD-UHFFFAOYSA-N 445.520 0.535 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544139473 DZYIXXLAMSOIFW-GOSISDBHSA-N 427.486 0.886 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 550591302 YOKJIPRHACPGOV-LJQANCHMSA-N 449.515 0.586 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2)c(F)c1 552894907 SFQNQUOOHDRKFM-VDZJLULYSA-N 436.509 0.138 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 573510119 VTEJVGLDKFHMNF-UHFFFAOYSA-N 435.550 0.763 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 573594487 AMYRZSFCGXEIOX-LJQANCHMSA-N 447.499 0.304 30 20 ICED CCOc1cc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)ccc1[N+](=O)[O-] 588126019 XGHSBRWAGPOAJC-UHFFFAOYSA-N 444.492 0.746 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119203 GMJJSNRGDKGUFG-UHFFFAOYSA-N 445.566 0.775 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 606125935 YMDBWBCGDWATBX-SFHVURJKSA-N 438.509 0.940 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1 613979602 UAGQKLQSMZOPDW-UHFFFAOYSA-N 447.459 0.995 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 728573560 QPRWUUPLZBFBFJ-UHFFFAOYSA-N 449.437 0.592 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O 729671441 MVTHCGPIBNNSHS-UHFFFAOYSA-N 447.582 0.601 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCCn1ncc(C#N)c1N)n2C 731772557 RSIFOJHQYJRHCK-UHFFFAOYSA-N 445.505 0.650 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)cc1 732909646 CWAROGJAJJLHAO-ZWKOTPCHSA-N 431.514 0.813 30 20 ICED C[C@H](CC(=O)Nc1ccc(CS(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742508642 TYDCBVZGQANGNF-GFCCVEGCSA-N 436.515 0.931 30 20 ICED N#Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1N1CCC(O)CC1 743733796 ZVBVENKDARCJNT-GOSISDBHSA-N 441.532 0.639 30 20 ICED C#CCCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 743970348 AATXSPOORVWXMR-UHFFFAOYSA-N 434.500 0.836 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1 743983689 AOBKYAVGJZBUSR-JCMHNJIXSA-N 446.493 0.076 30 20 ICED CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 749626212 BIBPUVPDYVVGPG-UHFFFAOYSA-N 430.490 0.808 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)C(=O)NC)cn1 751921870 AVKHXDYJDMNSLL-DGCLKSJQSA-N 430.494 0.788 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1F 757292521 MBAPBMKRVAEVGY-LBPRGKRZSA-N 426.408 0.950 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(-c2ccc(F)cc2)n1 761965575 QJZUMYSPBHNBFE-ZCXUNETKSA-N 426.408 0.901 30 20 ICED COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccc(C#N)c1 762940941 IKSQUJCWHOXTAE-SJCJKPOMSA-N 445.453 0.781 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1 772240954 HANQXTMNJCFZLX-UHFFFAOYSA-N 441.556 0.676 30 20 ICED CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc1 776061794 NZQSWVWAFMHLEC-FOCLMDBBSA-N 436.494 0.806 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 776593338 HQVGCEJMZIZTFT-UHFFFAOYSA-N 429.546 0.032 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784547195 MOQGFQOSORPOTF-CVEARBPZSA-N 433.486 0.813 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 785164175 MXXQCHWCYMAOQG-UHFFFAOYSA-N 444.460 0.066 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)cc1 785290028 JWOUKKOMROMAHM-ZGIZLIOWSA-N 444.460 0.666 30 20 ICED C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCNc1ncccc1C#N 787756453 PMWWBRCEEHSNNE-GOSISDBHSA-N 435.532 0.808 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CC(C(N)=O)=NO1 788609337 UIMZGYZIEKWHIM-JTQLQIEISA-N 425.239 0.845 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccsc3)c2=O)cn1 790435131 YAECVCDXNHWJPS-UHFFFAOYSA-N 443.554 0.833 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCOC3)cc1 790679358 JCIBOIDRTSJBRY-HZHRSRAPSA-N 433.494 0.943 30 20 ICED Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1=S 794621833 VRWKUXDFIPQJNK-UHFFFAOYSA-N 432.535 0.857 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ncc(C#N)cc3C)C2=O)cc1 815337890 DVUDLVJRFKFRCG-NRFANRHFSA-N 437.412 0.926 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917356356 VPZSXCNVYHHYRS-UHFFFAOYSA-N 446.573 0.650 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1 917356843 UGRGYPOUZARKKY-UHFFFAOYSA-N 437.525 0.515 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 918262541 RDNPXDUIDGFRAY-AKKXKAEUSA-N 434.474 0.881 30 20 ICED CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918315270 ASARMLKCASSRPR-PYCFMQQDSA-N 449.533 0.519 30 20 ICED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 921218511 XZXMGKMDEIEYRA-MRXNPFEDSA-N 435.502 0.916 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1301809729 PTYJFBZNPUDNRC-INIZCTEOSA-N 438.510 0.619 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1306262498 YIFXCVOGKZEMGP-LDJQZATESA-N 440.504 0.983 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccn(CCN4CCNC4=O)n3)C2=O)cc1 1477113691 UGQXINRIDFYQQP-KRWDZBQOSA-N 436.476 0.703 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CCO1 1503772736 NNTDXHNWLRJZGI-KRWDZBQOSA-N 439.520 0.930 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541220140 XBBSDFVURVMKAB-KBPBESRZSA-N 440.526 0.434 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCO1 1554444462 PNFPBSVZMBVZIA-SFHVURJKSA-N 449.471 0.791 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1c1ccc(O)cc1 1556733726 RSBJNKXNMUPWOR-DLBZAZTESA-N 443.481 0.846 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1617794167 RNZGYOIPDSOSMK-SFHVURJKSA-N 426.477 0.527 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1632349069 PDXWEVXZUQLWDG-QGZVFWFLSA-N 440.953 0.931 30 20 ICED COc1ccc(CN2CCCN(C(=O)Cn3c(=O)c(C#N)c(C)n(C)c3=O)CC2)cc1 1652998072 KSBGHUFDOUCJDR-UHFFFAOYSA-N 425.489 0.470 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N1CCOCC1 1694734641 JBSIOUOTFZWOEM-UHFFFAOYSA-N 441.540 0.330 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1712102854 IEKCKOVBWAMJAB-NRFANRHFSA-N 426.477 0.263 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712455496 ZDAIXDIOFRZHHG-HNNXBMFYSA-N 436.542 0.327 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1726034302 JKSPSMKSFMXQOQ-IBGZPJMESA-N 433.538 0.429 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1766723326 PFAAYBIXYFIMCO-GOSISDBHSA-N 445.549 0.277 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1768943216 JVWLZFZKWJCKIU-UHFFFAOYSA-N 447.521 0.644 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnn2c1 1778523341 SXMAFSCODLLXGK-JOCHJYFZSA-N 439.520 0.763 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779107676 XMVFWFULDLFQBS-CUBMKOOVSA-N 431.493 0.768 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1781269292 JIWPPHRYKSZOBU-OAQYLSRUSA-N 427.461 0.682 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781961553 IAWXXBFRJNVXOW-HSZRJFAPSA-N 443.523 0.778 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009257 HPLTVMLCNAPJCY-PDSXEYIOSA-N 437.493 0.502 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1782015359 MRHNNPBRQMKXLK-WZONZLPQSA-N 439.468 0.787 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195483 CCGLDIMJVWSVMP-FPTDNZKUSA-N 438.488 0.745 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c(OC)c1F 1783562617 CTYQPHVYOGIFAY-FQEVSTJZSA-N 438.383 0.514 30 20 ICED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C4CN(C)C4)C3)C2)N(C(=O)OC(C)(C)C)C1 1784787181 SPFMSLWQLFXPMC-MBSDFSHPSA-N 448.564 0.944 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1784929688 YRVUHYLYNZNICM-XMMPIXPASA-N 439.512 0.928 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785545571 ZVLJZAYMNRKHJO-FZKQIMNGSA-N 442.563 0.478 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1786649037 CPVOWZXVRFMGBD-QRTARXTBSA-N 439.921 0.850 30 20 ICED C#CC(=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 1788095682 UMWATPHCGKZDEQ-ATIWLJMLSA-N 435.521 0.217 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788575557 MMHADVXEAOWYLN-SMLCLMEVSA-N 428.551 0.116 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790747734 OEMJSCFEPWYJBV-WOYTXXSLSA-N 428.551 0.116 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1792261554 JLKGYFDQIDLNHI-XSLAGTTESA-N 436.553 0.444 30 20 ICED C=CC[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 1792780134 BJJYXJKVKZGPOB-YSWKBACZSA-N 443.544 0.968 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794033812 KKQRKUNRPHYOBC-HGKCTWBKSA-N 444.536 0.006 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2 1795599759 IMKJGJJBBLDTCD-CCWDJLKJSA-N 442.495 0.958 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CC(O)C2)C3)c(C(F)(F)F)n1 1795994153 LZQKFCATTQOYDG-BHCYSEDNSA-N 438.406 0.946 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1796443603 RZHJQYFLJACVRU-GYVFYAIOSA-N 443.481 0.789 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccnc(Cl)n1 1798080515 JPXFWBTYULFNOD-DNNVRAESSA-N 437.884 0.862 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)c1ccc(O)cc1 1800527290 CSNUPGMEYIHJLS-ZGHDPVSRSA-N 439.512 0.615 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801379710 TYAMCBXMTYLZBQ-YSQHNYGFSA-N 447.536 0.698 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808210030 GHQVDWLTGYXGKJ-ALKREAHSSA-N 427.486 0.202 30 20 ICED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488929 DFWYTOHLLZTWJH-UHFFFAOYSA-N 443.508 0.640 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810564214 BQOJACHTJCCDEM-YSTOQKLRSA-N 446.548 0.812 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(F)cn3n2)n[nH]1 1821598113 OOLJIXXPBWGUNA-CYBMUJFWSA-N 425.380 0.985 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)C1 1829668907 IPLSCBAVUDWRJI-OAQYLSRUSA-N 432.477 0.135 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1830054579 UKFDUAYKBNRXBA-QFIPXVFZSA-N 438.488 0.887 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1830060223 KBKLUNRGRUYYDB-NRFANRHFSA-N 426.477 0.278 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830751495 RJASUCTUWPCHSF-WBYLCXCBSA-N 433.505 0.474 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)c3N)C2)C1 1831392479 DXDNUAGKFVDXDQ-AOMKIAJQSA-N 433.480 0.825 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831397270 WQKGGXZOIHTWDN-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832763515 PQCOBFPGXMFLFL-VGOFRKELSA-N 433.505 0.680 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833439374 PIUWFUPNGXWERO-VQYZLWMVSA-N 437.541 0.223 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1833449133 HUEYXHMLWUAUJB-OAHLLOKOSA-N 427.571 0.190 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833490639 WHNIRFNLZVZSMX-SJORKVTESA-N 427.615 0.959 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1C(=O)O 1833607053 DHHVHWISCHNXST-JOCHJYFZSA-N 444.488 0.646 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767549 TWLCHMWYPRSYDS-OPAMFIHVSA-N 448.520 0.613 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)CC1 1835345583 PYGYOQWXNPETEA-MRXNPFEDSA-N 428.371 0.197 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969692 SAPSXGBRCLJREA-BEFAXECRSA-N 426.901 0.584 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836728178 YMSJCHPQZDZVBP-LEWJYISDSA-N 439.484 0.425 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441074 QDHQOLKVSYHGAB-SGCYSOCQSA-N 429.521 0.932 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837486532 IBLHOBOJNRZICZ-WMZHIEFXSA-N 434.533 0.711 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1838737410 SLHNSOBEJBADRN-KRWDZBQOSA-N 444.366 0.062 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839174686 RQNVXTKCYYWBQC-SIKLNZKXSA-N 446.504 0.047 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839174925 DWFFQBCSWGQNNW-YVABFXQFSA-N 447.488 0.664 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c(Cl)c1 1839423658 PUIUWRVFBJRESW-UTKZUKDTSA-N 446.891 0.560 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5C[C@H]5F)C4)C3)c2c1 1839489024 LRTPKZCETDIKKN-PXARDIRTSA-N 427.436 0.863 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1839894869 VXQFJRRTSKSHQP-CJNGLKHVSA-N 440.440 0.139 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839956301 MCLGERQNASHIGG-QMHWCDLVSA-N 430.501 0.085 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840020850 OSBLZMABFZEQCN-VWKPWSFCSA-N 441.525 0.293 30 20 ICED Cc1ccc2[nH]c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1840042764 NNUOCAIESDXAFM-QFIPXVFZSA-N 425.441 0.634 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486719 UJALKFVFWORGCO-KXJNKWKMSA-N 430.505 0.519 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840825956 XKMITFBDEJSNSG-RBUKOAKNSA-N 428.480 0.770 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(=O)O 1840838325 ZUCGRKDNEQJHCF-JKLONXPPSA-N 439.465 0.003 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837900 SLNHEDJEDTZNEF-INIZCTEOSA-N 427.567 0.435 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCCS3(=O)=O)C2)c(C#N)c1 1845914047 QMOLGAMBLYENPA-SFHVURJKSA-N 431.514 0.890 30 20 ICED CN(C)C(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)CC1 106269984 SLFPJXVANVTLDG-UHFFFAOYSA-N 436.538 0.395 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 428229311 WUNYGBAQYSFEPK-UHFFFAOYSA-N 445.520 0.172 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4[nH]ncc4c3)CC2)cc1 441664811 CWPFMYGSXWEOFH-UHFFFAOYSA-N 438.469 0.906 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@@H]1CCOC1 441918688 AQGZUORILHXMOE-INIZCTEOSA-N 445.516 0.660 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2CCN(CC#N)CC2)c1 464790456 DJDSANNUIIYRAS-UHFFFAOYSA-N 449.577 0.739 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 468601759 ZKDUYLQRLCSRNV-MRXNPFEDSA-N 445.487 0.858 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 472298114 MPSUCVZKJYDCCV-UHFFFAOYSA-N 441.447 0.291 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 475704755 RBDFQZXTJKRTHS-MOPGFXCFSA-N 438.488 0.883 30 20 ICED COCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 477614044 ITTKAXCXUZGNPE-IBGZPJMESA-N 427.505 0.002 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2C)c1=O 488149324 TYDUKQWZBNDGJU-UHFFFAOYSA-N 443.550 0.164 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(Cl)c1 490491609 IXBRORCKYNLAOP-UHFFFAOYSA-N 437.865 0.812 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 490821902 DEIYKPSSWOXGHS-LJQANCHMSA-N 439.520 1.000 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502046323 HFUUKLZCYRKYSJ-UHFFFAOYSA-N 429.527 0.019 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513599195 FXRWIMSDWSKVCH-XMHCIUCPSA-N 436.472 0.715 30 20 ICED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513785912 WBUSIQHQXQMZJJ-FQEVSTJZSA-N 426.454 0.898 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@]12C(=O)Nc1ccccc12 514033409 UFNMEISESPBIRC-KUHUBIRLSA-N 449.558 0.420 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)cc1Br 552333109 UCOBLDZGSBCQBR-UHFFFAOYSA-N 427.284 0.593 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 553204311 MSYKZBUNKCRQED-MIGBEJBISA-N 447.561 0.425 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCOC3)CC2)c1C#N 555453307 JXGAHBFKYDWJKV-MRXNPFEDSA-N 441.540 0.693 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 558056111 HHMPWXHNTGLPBW-SFHVURJKSA-N 432.488 0.987 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 565766905 CQNKCUHBEHNRSJ-CQSZACIVSA-N 430.446 0.853 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n[nH]1 572877204 PNGQFAJAPDQMIP-IBGZPJMESA-N 449.515 0.592 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573767026 HUYYNMACAZCGAE-HUUCEWRRSA-N 439.476 0.467 30 20 ICED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 588052189 SCLLKAGBZPFJLZ-UHFFFAOYSA-N 436.519 0.334 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O 603552958 GSOKRDGOIJKJIZ-UHFFFAOYSA-N 435.509 0.053 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 603717016 OCAZFFUFJYRBOZ-UHFFFAOYSA-N 441.410 0.764 30 20 ICED CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 611172741 CHGRHTVKHAAVMK-HNNXBMFYSA-N 435.550 0.947 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 726334472 VKTUIJOCZLMPCS-HXUWFJFHSA-N 441.469 0.725 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 728532735 IOJQNLUUIOMGLP-GCJKJVERSA-N 444.532 0.610 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCCSC)c2=O)cn1 732562932 OYENMDDFKIIBIS-CQSZACIVSA-N 449.602 0.533 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(C)(C)CN(C)C 732565185 ZGNCYJARCXZASG-UHFFFAOYSA-N 444.605 0.743 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 733148990 STCKRFNSHJWTIE-HNNXBMFYSA-N 447.517 0.545 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 737276255 QNNLAXICKXQHLI-UHFFFAOYSA-N 436.472 0.282 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCOC)c2=O)cn1 743727748 DGQANJUVXAJFLZ-UHFFFAOYSA-N 438.509 0.785 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCc1ccc(C#N)cc1 745354050 RTDMABWMWIQWHI-ZDUSSCGKSA-N 433.490 0.435 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC1 749877035 UHNOSLZVDIONPM-IBGZPJMESA-N 433.306 0.994 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 750518771 TYNRHTSHTKYNGG-ZFWWWQNUSA-N 442.563 0.434 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)c1 752120670 ONTLUFREXXNPKJ-XQNSMLJCSA-N 447.473 0.446 30 20 ICED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCCNc2ncccc2C#N)c1 755207923 LWIRABLCWOGRKH-UHFFFAOYSA-N 432.444 0.713 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1 783452668 HFHIEDAZWDLQJF-UHFFFAOYSA-N 442.497 0.920 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 783461607 BRDDAVJBUCRPLH-UHFFFAOYSA-N 448.479 0.763 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)nc2n(C)c1=O 786529515 ASFDVWACJMNWSX-CQSZACIVSA-N 425.832 0.924 30 20 ICED C[C@H](OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)NC1(C#N)CCC1 787548643 AGCNEGPQHKUNHM-SLEUVZQESA-N 443.909 0.862 30 20 ICED N#C[C@@H](C(=O)c1ccoc1CC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796808493 BAAAXZZEWHXESF-INIZCTEOSA-N 425.401 0.887 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)CCc1ccccc1 800681514 SHWHTLWBPVZZDY-UHFFFAOYSA-N 449.554 0.889 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H](O)c2cccnc2)CC1 803956380 XXTFCYPHODCJBP-IBGZPJMESA-N 444.469 0.063 30 20 ICED C=C[C@H](O)C(=O)OCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 814546448 CNNGHTOAXVQVIP-HNNXBMFYSA-N 430.461 0.659 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 837370517 VXVMGTBERVBZMU-UHFFFAOYSA-N 441.513 0.482 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 915005420 LAIBOGQBLRTJMI-UHFFFAOYSA-N 434.474 0.520 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 920731256 OYAPRGICKPWJCH-UHFFFAOYSA-N 438.502 0.858 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1291223644 KYUIGTIXJQDYTQ-GOEBONIOSA-N 428.518 0.918 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1541116082 JIXFDZAJEOHOBP-BRWVUGGUSA-N 439.586 0.691 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)nc1 1543555578 WCRJZNXFWWXJPJ-GOSISDBHSA-N 438.463 0.344 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690229467 WYYTYZMSLGRMNW-QWHCGFSZSA-N 444.355 0.900 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)F)cc1 1731183065 MQBZXXMBMCQUES-CYBMUJFWSA-N 433.419 0.422 30 20 ICED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(C)(=O)=O 1750752576 YZTPXWDPKKQZHK-OAHLLOKOSA-N 432.554 0.898 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)n1 1751853460 IJIGKIZUHDKWEX-OALUTQOASA-N 428.541 0.715 30 20 ICED Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751962244 VTYLIEJCLKGUFH-BBRMVZONSA-N 448.553 0.718 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1cnc(O)nc1O 1778006562 KBAFZOMPLXOABI-CQCNCCIPSA-N 443.460 0.727 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1778876939 KHOJNBOXNYUBDC-QKLQHJQFSA-N 427.567 0.913 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1 1780410181 LDNCUJCJLMTZLR-KJXAQDMKSA-N 442.516 0.336 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781315071 MYZJMGKAYPWKRW-KKSFZXQISA-N 441.525 0.295 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782017160 AJTGQODGQXOVAB-JLYYOPDCSA-N 444.440 0.419 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783195362 CBCHJQNTCJQNSO-LJQANCHMSA-N 428.480 0.192 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC)n3)C[C@@H]21 1783529121 DAIMPWSUNZATCE-SMDJPQOOSA-N 442.516 0.471 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1785571887 FFLALVHYRCBWJS-VFNWGFHPSA-N 431.493 0.770 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1786642189 MGTAWMGSYAVFLE-QRFRQXIXSA-N 433.480 0.883 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788572788 KBDSRKNNJIGMNX-OYSPMZIOSA-N 427.505 0.896 30 20 ICED N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)c1ccccn1 1788677842 GPHMQNOOYVQZJY-SSZZMFJQSA-N 425.489 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790372383 VMEBJXJUBJABBW-SZMVWBNQSA-N 446.504 0.768 30 20 ICED COc1cc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1OC 1791078076 HKZLYDSIPFITTD-QOKNQOGYSA-N 430.457 0.694 30 20 ICED C[C@@H](S)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 1791263869 PZZDPJLOFLVESS-LEOABGAYSA-N 445.582 0.560 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558898 WHVUMUOUIXTMKJ-UPHUGPLXSA-N 431.514 0.597 30 20 ICED C#CCO[C@@H](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 1793340047 HXYPRXOCHFFIOZ-KANFNMMFSA-N 447.532 0.791 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795727213 SYMGPAOOCOYTDI-XOIINTDNSA-N 428.493 0.613 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797043569 MOTRCQNBXLEKFS-FAQVEIGNSA-N 446.467 0.883 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062720 HNHBGGUVONVKLK-ZSBFGKGUSA-N 446.529 0.007 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1799304425 PJDJFFBJSXDMBC-ZIKOTGLESA-N 447.532 0.486 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1799396695 ASKSBTPLOFNVOV-LJCCNALRSA-N 446.552 0.723 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1803556766 MVIKEXSVBUQCMB-UTKZUKDTSA-N 443.504 0.622 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961639 VAZXWZVZGGXEOM-PXNSSMCTSA-N 426.477 0.889 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)(C1)C2 1812879155 BZINLIYTUFNNDW-JDFDBMOLSA-N 425.441 0.519 30 20 ICED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)n1cnnn1 1813471208 ROHYGJFYDWIBCW-QPSXFSKNSA-N 439.524 0.807 30 20 ICED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1814226809 VVGSQTGOERKRDM-ITPWEVIISA-N 432.481 0.285 30 20 ICED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1830003913 ABPJZQYAYZYOIH-JOCHJYFZSA-N 429.521 0.688 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830644299 COPMXDAFKYGJMP-RXVVDRJESA-N 440.562 0.788 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1831402111 OAJFMNXYABHGPS-VGOFRKELSA-N 434.464 0.699 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1832068713 HPXMJVLATLZPLE-CVDCTZTESA-N 442.516 0.488 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832332026 CQGUGQUYVWKUKE-OTVNPASYSA-N 435.521 0.260 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832332031 CQGUGQUYVWKUKE-YTWXUOMVSA-N 435.521 0.260 30 20 ICED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccn1 1832594763 OXDRILLXESFXHM-QFIPXVFZSA-N 428.489 0.783 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)CC2)cc1 1833106356 KEBFGOKLFODJRM-OAQYLSRUSA-N 437.544 0.951 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1834530843 WAEWFTJIGWQGIB-NRFANRHFSA-N 448.476 0.065 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834755824 DLAVLMRYEDMMHU-HYFFOGBASA-N 448.520 0.826 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)s1 1835358580 GQUHOYNGPATIOU-FQEVSTJZSA-N 435.502 0.837 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835405290 UMYALNXPZARPLU-HXUWFJFHSA-N 444.523 0.292 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835617448 XEWZKZAPCRVMDU-OAQYLSRUSA-N 425.526 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)[C@H](O)C=C)CC2)CC1 1835712478 GWORXEHXPMMSQD-WHXUGTBJSA-N 446.592 0.990 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1835715458 DCDYVDSFEJXNMK-NRFANRHFSA-N 449.640 0.379 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1836772610 KBLACWDXFUBUBZ-LJQANCHMSA-N 447.289 0.800 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247686 BTNFRNWZNLWZMZ-XZZFYQAUSA-N 425.551 0.232 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838531408 HVHDBAYIOLGAPU-XMMPIXPASA-N 435.480 0.507 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)[nH]n4)C3)C2)c1 1838582277 ITTOTFVMTWEJPN-QFIPXVFZSA-N 439.472 0.982 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CCO2)C1 1838589188 MKFZVTPTDTYQOE-YPENRWOSSA-N 449.529 0.794 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 1838600952 FQWCFTSXBRQVKD-FQEVSTJZSA-N 435.433 0.955 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732785 ZXQYLODMCUAPEY-QFIPXVFZSA-N 439.472 0.603 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741984 KNTPTTYUUAXKSS-QFIPXVFZSA-N 440.504 0.549 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1838742497 IOYAKQHYUXITLZ-HSZRJFAPSA-N 449.467 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1839173497 UNCXZRURIBPOQC-QFIPXVFZSA-N 447.488 0.670 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccc4o3)CCO2)C1 1839499993 JUZGYTUODDBJJT-OPAMFIHVSA-N 427.457 0.936 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc4c3CCCO4)C2)C1 1840041957 RSKXFWFVLQFCDF-FQEVSTJZSA-N 434.470 0.231 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840180601 FGLHSZDWCAUHOT-YADHBBJMSA-N 445.472 0.244 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840291697 AIRDVSQURRQEKZ-HXUWFJFHSA-N 433.465 0.441 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1840359250 HXSPXDKQKRKZOD-JOCHJYFZSA-N 438.488 0.504 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840447875 KCVVHAYJOAANGX-QFIPXVFZSA-N 438.488 0.504 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1840788727 UVNGOIOMQDAREQ-QFIPXVFZSA-N 428.489 0.762 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224160 PBVOUGRQDOTBET-AWEZNQCLSA-N 433.509 0.925 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300468 KMSSUFNQNFYITC-TYJAPOHBSA-N 442.538 0.144 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512604 QQSHDXNSSCMIEQ-JYJNAYRXSA-N 439.509 0.583 30 20 ICED C[C@@H](NC(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(N)(=O)=O)cc1 29450851 UYOHLLAKGLTQSZ-HZPDHXFCSA-N 442.545 0.989 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 437529524 YCPRHOQQLSVCTF-NJAFHUGGSA-N 444.575 0.866 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3C(=O)NCC[C@@H]3C)nnc12 443042824 ZDDIZEDCOAOCAK-LRDDRELGSA-N 426.502 0.963 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3CCCN(CC#N)C3)CC2)cc1 461475388 YKLJXNCIYXYIJM-IBGZPJMESA-N 433.578 0.653 30 20 ICED C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462040347 QXDXUIMHDUAWFK-PIDWITHXSA-N 426.448 0.897 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 464818898 AAOFDOLFTVPTGW-HNNXBMFYSA-N 440.508 0.823 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 467676873 FLHPSQDIUCYDBX-OIISXLGYSA-N 441.937 0.709 30 20 ICED CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476682575 DUHYJUBUFCYKDE-MOPGFXCFSA-N 449.515 0.860 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)cc1 477016342 AKLICQLYUBMTDK-FQEVSTJZSA-N 449.577 0.874 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1 479269214 BJSSJRHIUKJQTL-UHFFFAOYSA-N 447.517 0.598 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cnc21 488763391 SNCSQZKWZCVRNX-UHFFFAOYSA-N 444.448 0.556 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 501429194 MSXSSNYGFALRTR-IRXDYDNUSA-N 440.500 0.801 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 510025008 ZRQXZFCKCBDHIM-GDBMZVCRSA-N 430.552 0.712 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C1CC1 514913714 JFAFZXNXPZHMLW-UHFFFAOYSA-N 429.498 0.528 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 518074045 DRFRRXBYSJKLCS-UHFFFAOYSA-N 443.895 0.784 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1C 530317975 WTFQXQPHDGMNQY-MRXNPFEDSA-N 439.537 0.819 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1Cc1ccon1 531684056 FYPQXSLWARRPHB-UHFFFAOYSA-N 430.873 0.857 30 20 ICED COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(OC)c1OC 535168675 SYWCNISKGHLDSN-AWEZNQCLSA-N 429.433 0.647 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 539420836 XWLYKUHARJEMGL-LLVKDONJSA-N 443.469 0.681 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)CC1 553735075 QKLSHSZQQWBIEA-KRWDZBQOSA-N 448.568 0.968 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c2)CC1 560309928 SIVICEHWBOVWTG-UHFFFAOYSA-N 435.550 0.959 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)cs2)c1=O 565402402 ZGLKKOYQRNZCLK-UHFFFAOYSA-N 441.962 0.927 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 566535852 WSKJXWFUQHYVRS-UHFFFAOYSA-N 426.568 0.969 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 568335781 FHTZJHHKRSHSDH-UHFFFAOYSA-N 442.501 0.735 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCn3cnc4ccccc43)CC2)c1C#N 569557150 JILKNFIXROLZLF-UHFFFAOYSA-N 434.504 0.805 30 20 ICED CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577272886 XCYZQCVCDGEXEN-KRWDZBQOSA-N 428.489 0.966 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118281 ABLJOVOFGHHNBP-UHFFFAOYSA-N 431.539 0.459 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 684535193 KFRXIQAAPWUWOL-JTQLQIEISA-N 437.930 0.609 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 725763161 FDBCWFJLFCWLRM-UHFFFAOYSA-N 434.543 0.073 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc3ncccc3c2)c1=O 727164586 REPCDQNCLVYFIO-UHFFFAOYSA-N 425.495 0.034 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 728762293 COJOYZAQWBDKOZ-AWEZNQCLSA-N 446.407 0.509 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccccc2Br)c1=O 729670951 CLFKBEQPOWXGQZ-UHFFFAOYSA-N 438.328 0.744 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1 733148878 LWCYHIYKZAFHLZ-IBGZPJMESA-N 426.517 0.327 30 20 ICED CN1CCC(C#N)(NC(=O)C(F)(F)C(F)(F)C(=O)NC2(C#N)CCN(C)CC2)CC1 742646023 CYPTUNJKVJLEJT-UHFFFAOYSA-N 432.422 0.465 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 749665531 FCWVQGQRIRAODO-UHFFFAOYSA-N 442.564 0.213 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nn1 750400174 WYPCSFQOOSQVTG-UHFFFAOYSA-N 430.368 0.375 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 751922936 GRZXIKQDFLFUMY-IZYTUYTESA-N 441.517 0.877 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2=O)cc1 754422021 QJQYVIVUAKLURB-UYAOXDASSA-N 430.468 0.896 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760384874 JDSCBRKRXUVJPR-UHFFFAOYSA-N 431.543 0.147 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccnn2C)cc1 762694607 ZTLWTNWOHWUQHF-HAVVHWLPSA-N 432.506 0.530 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nc(=O)n(C)[nH]3)nnc12 765393537 NHQCNFSTBMDPEA-UHFFFAOYSA-N 427.446 0.488 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)c1cc[nH]n1 770818119 BXLDZBAKZMBETG-UHFFFAOYSA-N 439.476 0.686 30 20 ICED CN(CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1cccs1 772601909 QONFORKMCVTIAI-PFONDFGASA-N 427.508 0.194 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1=O 778585163 TUYYLZXRHBJEMA-JKSUJKDBSA-N 435.525 0.736 30 20 ICED CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2nnn(C)n2)C1=O 782858805 VLOHNSCYTVXQJU-OAHLLOKOSA-N 430.538 0.800 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 783464767 VIQVIXOTQVCLSN-UHFFFAOYSA-N 428.470 0.626 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)n1 789793850 SCHOZGHWYZVWBY-UHFFFAOYSA-N 432.502 0.927 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 796455693 MKUNBLZWPGVHPS-ZETCQYMHSA-N 427.298 0.632 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)n1 797356940 MBBFSDOCHAKQGV-UHFFFAOYSA-N 444.517 0.683 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 805735297 DMCBEPMCCYPLBG-HNNXBMFYSA-N 430.509 0.879 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC#N)CC2)cc1OC 812614232 KFECVAICDPZRPO-UHFFFAOYSA-N 439.490 0.774 30 20 ICED NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 815260369 QDSOECFFTIBLBW-CQSZACIVSA-N 447.435 0.632 30 20 ICED Cn1c(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)nc2n(C)c1=O 913375021 RUBAMNJVYYZYEA-UHFFFAOYSA-N 427.804 0.953 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1303050655 WPLKAZQQUNIVOO-IEBWSBKVSA-N 449.577 0.138 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CCC1 1303823158 KQXDRRNUXJWFNC-CEXHIMGSSA-N 428.584 0.929 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1306262501 YIFXCVOGKZEMGP-YBOAYWMSSA-N 440.504 0.983 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)[C@H](C#N)C1 1312470321 OKUWUHGIBLCFRU-IAGOWNOFSA-N 437.541 0.926 30 20 ICED CCN1CCN(CCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318487506 UNUKNFMDJDOQNK-IBGZPJMESA-N 426.521 0.907 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1359396142 RTQUHHXBDHLZIT-UHFFFAOYSA-N 447.446 0.779 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)no1 1361070245 GOMBQDCXOMBGMW-XJKSGUPXSA-N 434.526 0.410 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1541703805 ZLYYHIGJRKYJPO-HNNXBMFYSA-N 425.493 0.920 30 20 ICED Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1543085672 VVZZMIUGFVTESJ-HOTGVXAUSA-N 436.542 0.521 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1619239924 PLRHQJHUHAAICW-SIKLNZKXSA-N 426.521 0.867 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1690996128 VLQWBFRPCYAVHU-HNNXBMFYSA-N 446.533 0.803 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1750076676 QNXGMMCIDXESHZ-JKSUJKDBSA-N 439.586 0.691 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751003813 ZFYOIJLTGQSDIH-SFHVURJKSA-N 444.565 0.844 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOC1=O 1751207590 RAZMCHOZZPPGND-CQSZACIVSA-N 439.542 0.861 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779104120 GBHPQKYFDRVJCA-FPWOWMFCSA-N 442.476 0.930 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122690 HLJBVELOSNFHLK-YWZLYKJASA-N 435.481 0.344 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(C#N)c1 1781176020 FNOPXCLACQHWEB-QRQCRPRQSA-N 428.489 0.464 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300940 HLOGCMPWVCXPEL-OYHNWAKOSA-N 428.464 0.760 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1C#N 1783168272 XKFSNAWVDSMTQQ-WZONZLPQSA-N 440.500 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1783531652 QVQWAIMPEPLJQW-RVKHQLRBSA-N 438.488 0.181 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1784037250 CHCKASOLIRCBCY-AOMKIAJQSA-N 426.473 0.537 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1785427500 BTFJHZJTOZOHOQ-YADHBBJMSA-N 435.521 0.914 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787491763 NKCADKKBNGYJRB-LUKYLMHMSA-N 448.520 0.864 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n(C)n1 1788601007 AXPGDIGQHXJZMZ-RXYBXQHJSA-N 432.525 0.494 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658362 JZMJMNORCMXXKU-ROSPEPJPSA-N 448.524 0.423 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1789891885 UIUPQFABZHAMNO-QAETUUGQSA-N 442.534 0.053 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C3)C1 1792436492 PBEXNKSJTNVPBH-MHORFTMASA-N 437.537 0.818 30 20 ICED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829966 YBEWLIYYMRTUAF-CEQLMSFQSA-N 426.517 0.995 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836411 BTPCQYHMKXJPQO-NZGUISNBSA-N 447.919 0.432 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccc(Cl)cc1 1792945292 TVBDQWCGUPMLTK-XJPXHFRYSA-N 445.903 0.971 30 20 ICED O=C(C/N=C/c1ccco1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729700 UJGLCIZSBPZHBA-JUDNYXHBSA-N 449.357 0.643 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405761 ZZIAKJJNJZYMLA-NFFDBFGFSA-N 427.548 0.148 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1795601028 NJKWUWBEBDBYEJ-XOIINTDNSA-N 443.483 0.353 30 20 ICED 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)C1=NNC(=O)C1 1798376392 BVSXOMVTJJAUSY-DTYFTJOMSA-N 445.520 0.970 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1801991228 JVDDVSBJLJKXNA-FAQVEIGNSA-N 426.473 0.149 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)[C@@H](N)CCC(N)=O)C3)CC2)cc1 1809675578 UGFYRWNBFYQMEE-IBGZPJMESA-N 425.533 0.925 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc3c2NC(=O)C3=O)[C@@H]1c1cccnc1 1810027032 QXBZVIYWHKBJDT-VLIAUNLRSA-N 446.419 0.624 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810390593 SMFZGLIOFVWUEC-AGNJFEFDSA-N 437.504 0.639 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2(C(=O)OC)CC2)[C@@H]1c1cccnc1 1812682324 FKGDYULRJQRSSZ-HTWXZYLJSA-N 440.500 0.899 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1814104667 YPDSFIOIDIUBLD-WIYYLYMNSA-N 432.546 0.231 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)O 1819773944 DBDWPIMYSFXOKK-LNJYJFPRSA-N 436.538 0.590 30 20 ICED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820486806 VJTIFLPZNGGLEZ-IBGZPJMESA-N 440.504 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=O)N(C)C)CC1 1823743256 AEKLWQGDNRATBB-CNZFZVQHSA-N 433.553 0.736 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825327934 WERCNYCFFBUFPB-UONOGXRCSA-N 441.554 0.143 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)CC1 1827678713 PEJQLLNGVDVIBQ-KRWDZBQOSA-N 439.534 0.120 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829557875 SEDFMEOHZPWEAF-XOBRGWDASA-N 437.880 0.549 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829856778 UZZVLYSZLYCPAA-CVDCTZTESA-N 449.548 0.056 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1829900871 ROIULSBSESXTOF-QHCPKHFHSA-N 435.484 0.590 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1830459344 VKTKBMPMYYSUKU-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1830979548 DQDGVPQRINNCJC-CVDCTZTESA-N 444.532 0.599 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831217956 FMWPHHMBHRCUPH-QGZVFWFLSA-N 427.383 0.307 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1831388578 UUKRXYNCQJPMPF-MADWKMQDSA-N 447.444 0.696 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831486706 DZFZRNJLSGMROR-FOIQADDNSA-N 449.533 0.459 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833038908 AJOHBCSTUABRMD-AVRDEDQJSA-N 434.537 0.529 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(Cc3ccccn3)CC1)CCO2 1833114325 ZXWDYFGVKNDZOQ-QHCPKHFHSA-N 426.517 0.383 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354862 HDSWMVJWUAGAGL-IIBYNOLFSA-N 436.509 0.756 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835439066 DEHMUVXXCNUYQF-QHCPKHFHSA-N 435.565 0.934 30 20 ICED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)CC1 1835512326 CMEMHZKZSUDWIY-UHFFFAOYSA-N 432.569 0.026 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675463 RSLNODSISSARLK-JXFKEZNVSA-N 426.583 0.679 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677430 IHOXIGKRQOYFCO-NRFANRHFSA-N 430.509 0.137 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1835681230 QSOCUDCMWBSYKI-PGRDOPGGSA-N 436.553 0.541 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835844548 JMDTTZCHVTWQCL-FQEVSTJZSA-N 444.536 0.223 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164252 AFTSYVUWFLOFCO-PXNSSMCTSA-N 433.534 0.754 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839388977 OPEKOUYDHQIYKQ-IFNMQTAJSA-N 444.488 0.763 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839733385 GMRYAEHWIZEZJG-DHJUGAMNSA-N 427.501 0.518 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1839806333 KVXOWYJFHFGTAP-QFIPXVFZSA-N 432.473 0.345 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)C2)C1 1839807196 OZZYEBMNVZRUJV-DVECYGJZSA-N 439.512 0.746 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(C)c3Br)C2)C1 1839809984 XPFVJLNTKZHDGT-QGZVFWFLSA-N 425.283 0.194 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040205 RLYBIVKARDGNGB-YYDVJCTNSA-N 442.468 0.343 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)C2)C1 1840042885 UNMCNOBYSITZNI-NRFANRHFSA-N 447.394 0.604 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842949842 UJNHUXBHDSQBFD-GJZGRUSLSA-N 438.525 0.722 30 20 ICED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1844267364 QOSPYMMEKMFJIZ-UHFFFAOYSA-N 429.546 0.797 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138954 LRGRDHNIVRVKMS-GOSISDBHSA-N 430.461 0.377 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1845512807 NJMCSOYEVNPEKF-CQSZACIVSA-N 449.389 0.992 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847309215 WMZAJJGDWBOOQH-HKBOAZHASA-N 434.500 0.773 30 20 ICED Cc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 11402228 QYWZDIIRVDHBMA-HXUWFJFHSA-N 435.502 0.981 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n(C)c1=O 16260034 CYCIIBCSZUKCMO-KRWDZBQOSA-N 435.488 0.233 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 64767809 VNMGQMVXGUCFIZ-UHFFFAOYSA-N 426.433 0.585 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 409536122 LJUDAMOPEOWYGE-INIZCTEOSA-N 444.579 0.665 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 409584145 WQOWWBUZEIWKFM-UHFFFAOYSA-N 432.568 0.960 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c1 430983235 BXYMVVALULCQGZ-UHFFFAOYSA-N 429.501 0.693 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 437060939 UTSPMVGUCQCBAS-YOEHRIQHSA-N 425.507 0.647 30 20 ICED CCc1cccc(NC(=O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 439180420 WINOJLJWJUERTM-UHFFFAOYSA-N 431.456 1.454 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)C1=O 440270211 VTTGHABTWVZVLJ-MRXNPFEDSA-N 434.518 0.719 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)nc1 441846650 FRZBOCKQINGWOW-OKILXGFUSA-N 446.514 0.692 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)cc1 447464800 XEGBOFASGMYHNV-MAUKXSAKSA-N 434.493 0.805 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(C(F)(F)F)c2)c1=O 448107280 IWPYTWLABLWOHY-UHFFFAOYSA-N 441.406 0.967 30 20 ICED C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 464603244 UTJHOPWXHIPNHJ-CVEARBPZSA-N 429.477 0.927 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1cccc(C#Cc3ccccn3)c1)C2 466570939 YXCZHXJWHFKIHK-UHFFFAOYSA-N 445.483 0.976 30 20 ICED C=CCN1CCC(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 468077987 FDNPDPPLDBYQFK-UHFFFAOYSA-N 436.534 0.780 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C)cn2)c1=O 474338172 QUOUCLFPAYPYAA-UHFFFAOYSA-N 428.514 0.594 30 20 ICED CN(CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1)S(=O)(=O)c1ccc(C#N)cc1 478229337 NYHWXDDWWHYAOB-UHFFFAOYSA-N 437.499 0.583 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 491249133 XHTDFAVCKFANSU-UHFFFAOYSA-N 431.468 0.337 30 20 ICED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 498054194 MPCANMNGJJZBDO-UHFFFAOYSA-N 430.446 0.806 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1nnnn1-c1ccccc1 502114808 FYEONKGWBQYELF-OAHLLOKOSA-N 431.460 0.455 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 505690676 UVAWUDPLSNTBBZ-UHFFFAOYSA-N 436.497 0.126 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508944755 GUFPBXCTKZLOKV-UHFFFAOYSA-N 428.559 0.479 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 510177600 QXCOFSYMMJADJV-AWEZNQCLSA-N 428.536 0.327 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C1CCN(C)CC1 516372764 QPNADDYFJBPPCO-UHFFFAOYSA-N 446.598 0.812 30 20 ICED N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 524282851 OOPAYSQADWKZIT-UHFFFAOYSA-N 439.474 0.571 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 527336951 CIUQLLQMIQSAIP-UHFFFAOYSA-N 438.488 0.356 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)C1=O 534035601 UJHGKXBMRUDXPU-UHFFFAOYSA-N 436.490 0.214 30 20 ICED CC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 541205683 MLTAFWXTLCTEGG-QGZVFWFLSA-N 446.533 0.892 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 546707275 KPXUBMBHMAYOCQ-OAHLLOKOSA-N 436.490 0.158 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 559194493 LXZPFZSIOAKXTA-NVXWUHKLSA-N 445.545 0.941 30 20 ICED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 561429487 UPAHIADQFLKBFF-UHFFFAOYSA-N 436.515 0.403 30 20 ICED CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561704353 LRJDUPQRUFIVNM-GOSISDBHSA-N 427.505 0.085 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 567067120 QAWIVPKOJBHIMJ-UHFFFAOYSA-N 448.482 0.519 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 577682028 LNVGZKSPGKEXKR-SBHAEUEKSA-N 444.532 0.174 30 20 ICED COc1cnccc1N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587647751 MDQBZYWKYAXFLC-UHFFFAOYSA-N 449.515 0.791 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 611544817 MOKOKDSAROQPED-PZJWPPBQSA-N 440.548 0.759 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cc(C)n(CCC#N)n2)cc1 611659718 BAJILAIYJHIJQR-YOEHRIQHSA-N 433.490 0.876 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2 642280891 DTVBZSBEPZEWCH-HNNXBMFYSA-N 432.506 0.854 30 20 ICED CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 725763067 COIVSADPFVYLPB-UHFFFAOYSA-N 428.426 0.652 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCNS(C)(=O)=O)nnc12 730598476 ODWFCCKPHDHLGM-UHFFFAOYSA-N 437.503 0.415 30 20 ICED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)C(=O)N1CCS(=O)(=O)CC1 732910172 KOOLKODQSZQJTN-INIZCTEOSA-N 445.453 0.877 30 20 ICED NC(=NOCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 744442441 FTKVDEQFDYQUON-UHFFFAOYSA-N 429.521 0.365 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1=O 748564750 UAYFXQVFMADAPV-UHFFFAOYSA-N 437.497 0.022 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 749689654 HKTGSGTUCCRMEX-USCXLKSCSA-N 435.550 0.991 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCS1(=O)=O 766348331 LFUIBGIRQLDFOI-ZFWWWQNUSA-N 427.548 0.977 30 20 ICED COCCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 768879667 WRLVLIPBCJEFIQ-UHFFFAOYSA-N 436.534 0.603 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 770665489 QYBHQIYVJNZRNC-MRXNPFEDSA-N 430.452 0.896 30 20 ICED CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 782104805 LOJNAOHEQNJRFN-UHFFFAOYSA-N 449.515 0.784 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 783464571 HVVACXSFLWWCSM-UHFFFAOYSA-N 428.470 0.411 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 785069588 VWFOLHHYOFGMII-GOSISDBHSA-N 441.531 0.596 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC1 787112890 FSGZEMMEKCERHO-HXUWFJFHSA-N 425.533 0.966 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795198412 WLMLYHJTXZNDLM-INIZCTEOSA-N 431.521 0.965 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C 796990321 BEJIFDBVBDLZPA-TZMCWYRMSA-N 434.453 0.178 30 20 ICED COCCN(C(=O)COC(=O)c1cc(C#N)oc1C)c1c(O)nc(=O)n(CC(C)C)c1N 797886303 QPNDFNJLXYVYKU-UHFFFAOYSA-N 447.448 0.797 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 800101394 ZIAQPGPTDBPTFC-GFCCVEGCSA-N 443.425 0.418 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cnc(Br)n1 813208759 KYHYPKLYZCMSNL-SNVBAGLBSA-N 428.268 0.822 30 20 ICED CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 816127563 YQUPDTXDNHVBJC-LLVKDONJSA-N 430.464 0.333 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCn3cnc(Br)n3)CC2)cc1 821390373 AODVGFKCWGIGQW-UHFFFAOYSA-N 425.312 0.919 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2-c2ccccc2)CC1 839094099 QHNFZIVAPVRAFM-UHFFFAOYSA-N 448.552 0.300 30 20 ICED NC(=O)CN1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 880185907 ICAXEGVDNDGBPZ-UHFFFAOYSA-N 435.550 0.351 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1 918818664 XTNCRTGLQKPVGP-HNNXBMFYSA-N 443.481 0.778 30 20 ICED COCCN1C(=O)c2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2S1(=O)=O 919541518 JTUSATOUWZIZHM-UHFFFAOYSA-N 449.485 0.977 30 20 ICED O=C(N=C1NS(=O)(=O)c2ccccc21)C1CCN(S(=O)(=O)c2cccnc2)CC1 1325584220 HUGQABQORGBFLB-UHFFFAOYSA-N 434.499 0.748 30 20 ICED C=CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1328275047 WAIJYRHGMNCYTC-DLBZAZTESA-N 430.486 0.965 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1359468972 VMVPLMWMSXZIDD-FOIQADDNSA-N 448.549 0.943 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1496840502 NMFHPCMTKIQBPO-FQEVSTJZSA-N 435.504 0.921 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1502730295 ZDGFVPNXBLHJSH-BBTUJRGHSA-N 432.525 0.917 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1515904943 ZNIIMGZIRSJZKK-BBWFWOEESA-N 440.618 0.653 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1518649487 RRQXSWDDXFTRBV-FUHWJXTLSA-N 426.477 0.716 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1539600633 SVGUSUXZFNFGGO-RYUDHWBXSA-N 432.344 0.804 30 20 ICED Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1618450999 MYWIZPHNHSDVMO-UHFFFAOYSA-N 441.521 0.465 30 20 ICED CN1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618467914 XQTFCJJGKGREAF-GHTZIAJQSA-N 444.561 0.755 30 20 ICED C[S@@](=O)(=NS(=O)(=O)NCCn1cnc(C#N)n1)c1cccc(Br)c1 1661867706 KWQBCFNLWQVWJH-QHCPKHFHSA-N 433.313 0.904 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705747563 OYRYGELKUURYLU-RYUDHWBXSA-N 425.964 0.654 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOC(C)C)CC2)c1C#N 1742670171 XUNSIKMOTAOICN-KRWDZBQOSA-N 441.540 0.894 30 20 ICED CCCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745788658 GMBDOMZQGXZYPB-QGZVFWFLSA-N 430.557 0.899 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)CC1 1746512371 RQMGTMLUBBEUOV-UHFFFAOYSA-N 438.536 0.553 30 20 ICED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1768327225 BFJHRRKQQXVDLF-JMGYQRAPSA-N 444.583 0.120 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)c1 1769364136 ZGGATZSJZBBOBE-OAHLLOKOSA-N 427.490 0.958 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770945019 ZJOTVDTXGZRKQZ-QGZVFWFLSA-N 436.476 0.821 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779018819 JPDHUFNSNBUDCM-UQQIOGDDSA-N 425.493 0.873 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1780169945 XKTBGAPDKNLJPU-OAQYLSRUSA-N 425.445 0.945 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)[C@H]1SC(=N)NC1=O 1780695325 ATHCFBLREUBXLI-CQURBHOASA-N 441.513 0.804 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(N)=O)C1 1780988610 MTGPMANKJHORTI-ZDWFVDTJSA-N 427.501 0.951 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195364 YZPKMHXDTGKXID-PEBXRYMYSA-N 438.488 0.793 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782955076 WMVBVXPWCFAKGR-DENIHFKCSA-N 445.541 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cnc3O)C[C@@H]21 1783528322 MSTRGMRODGFDIO-VYOOZTROSA-N 448.907 0.892 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)CCO2 1783566038 XAGFLDUCIPUBRE-NRFANRHFSA-N 441.440 0.934 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784496613 AXMXISSNZVNUGS-NSAAROSYSA-N 433.509 0.878 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382242 VKMRTQKDVKTDMW-HSZRJFAPSA-N 436.468 0.988 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1785578029 UJXJCLWDYSXNNL-LHSJRXKWSA-N 448.476 0.740 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602001 IFRLDUSTUSRQDQ-NKGFIYMESA-N 442.582 0.119 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788628043 QWMOSXZFZDMHIC-KAFYTVBNSA-N 440.504 0.969 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc5c(c4)CCNCC5)C[C@@H]32)c1 1789346413 SHNBPFNYBIAOKX-JLMWRMLUSA-N 448.527 0.877 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1 1789549723 NNBMISBEEIIBPK-BVGULUMVSA-N 442.516 0.630 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C[C@@H]21 1790788797 CKKIEMPGIZUZJO-JSJNYSNDSA-N 425.485 0.661 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)c4ccccc4OC)C3)C[C@@H]21 1790788839 GQKSQZJBOWJZQS-QSFXBCCZSA-N 425.485 0.380 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1F 1791079028 WCBWFHVMNCRLAL-JQFCIGGWSA-N 446.431 0.684 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)ccc1F 1791647686 CLWYGVNENPABKG-QRFRQXIXSA-N 440.479 0.901 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1793562737 MFPWDTOLHHCFJV-DGXTUMSLSA-N 428.489 0.669 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797786663 ATNXJNHFLVMNMY-DMUMMCEESA-N 440.493 0.054 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1797811676 RKWBCRUYGOZCOQ-TYISDOQISA-N 442.476 0.690 30 20 ICED CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(C)C 1797812723 ZXZZGQRQAQCQFD-UPQJGCPBSA-N 439.509 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799211641 VYXZEYOEDAKUNP-DBXBBDQRSA-N 430.549 0.453 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2csnn2)C3)c(C#N)c1 1799238367 HCJQDKYJSYBKPH-CCWDJLKJSA-N 427.486 0.864 30 20 ICED 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)CC#N)C2 1801244434 RXQNMXODQQYNER-KPEUIFRASA-N 446.508 0.349 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)cn1 1801980722 LLSWIBOCORCSMB-ALXJQNPVSA-N 446.529 0.523 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)[C@@H]1c1cccnc1 1802476615 LEBJIFHXUJVNTO-ROWNIWSJSA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1802478297 RWSHDVSLMGLCIT-YUVPUZHMSA-N 434.500 0.979 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C#CC3CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1803459465 SHDKDULZIHCBDR-NQIIRXRSSA-N 435.484 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1813097869 ZHTFDLTUGKQXMO-UNEWFSDZSA-N 440.422 0.804 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1817316466 FFQBWQDCMPCKLE-CQSZACIVSA-N 444.496 0.235 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2 1825661219 KXXPYFOJWILYHE-OLZOCXBDSA-N 444.513 0.934 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828881803 HUAKJJDTRKQVES-DLBZAZTESA-N 445.497 0.904 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)c1 1829772849 CZOLORMLQZHGKP-KRWDZBQOSA-N 426.477 0.671 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1830060870 VUCGWJXLWUULMH-HOIFWPIMSA-N 432.521 0.394 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830891011 QNFUZZOQLIEZSN-QFIPXVFZSA-N 429.473 0.776 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831019791 FKONSRDRANZTFL-NRFANRHFSA-N 446.435 0.220 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831493641 TZZNVTILOPDWQC-SPYBWZPUSA-N 430.571 0.105 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831564119 YKKSILUKRMKMIQ-AVRDEDQJSA-N 442.472 0.056 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303617 MGVKJCJMPWFXIV-ZJSXRUAMSA-N 425.529 0.988 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)cc1 1832806007 ZOVQWLAPGCETEK-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833451266 UPZBKSMQJHVHJU-KRWDZBQOSA-N 440.610 0.689 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530921 PEAICZGMLORSEB-RATOZQLNSA-N 439.494 0.137 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836013775 AKWWDVLDPKWMME-GSYMPFBVSA-N 448.520 0.933 30 20 ICED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168692 LIVMJNFTQHGTIR-UHFFFAOYSA-N 435.550 0.506 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CCN4C(=O)C=CC4=O)CC3)CC2)CCC1 1836996146 SQGRUYXPXGUUMR-UHFFFAOYSA-N 442.516 0.994 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1837380313 JGTZLAIBRIMFFF-SVMVAKDDSA-N 436.553 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837396033 AMLNRYUMUOMWSW-MBSDFSHPSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1837399459 UJGLWNKSTZUARV-QRWLVFNGSA-N 440.928 0.717 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1837443438 BCHXFGROISBUIT-MGTIRVJESA-N 447.580 0.255 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817970 UHEKXOZWTSPVQN-DUYDGHCJSA-N 431.493 0.329 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c1 1838579446 LKQYIIQTTUGPBC-OYHNWAKOSA-N 444.488 0.148 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839627870 BVBOUSYLNCUBDU-YLJYHZDGSA-N 433.534 0.982 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839628513 CFHOAYYXTOXMCU-HXUWFJFHSA-N 431.518 0.947 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3OCCc4ccccc43)C2)C1 1840039737 GHCKPSSTEOUQMN-XXBNENTESA-N 442.468 0.235 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1)C(F)(F)F 1840181655 HUJNZOYHOKCJDR-DLBZAZTESA-N 438.399 0.177 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269871 FHQDOWGENDDNAW-YOSAUDMPSA-N 448.560 0.693 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)c1 1840383952 JXDRJGHISJOCTP-OAQYLSRUSA-N 426.477 0.633 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccn1 1840441032 UBFXYWBZHRNCDK-UWJYYQICSA-N 432.525 0.182 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1840913225 RJASUCTUWPCHSF-FSNCLGKMSA-N 433.505 0.474 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1844238128 JHJPFZSTLIZFBG-OAHLLOKOSA-N 432.546 0.668 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CNC(=O)C(F)(F)F)C3)c(C#N)c1 1845139823 IPCGCKQWUPBBCR-UHFFFAOYSA-N 438.406 0.991 30 20 ICED N#Cc1c(CCCNC(=O)C2CCN(S(N)(=O)=O)CC2)nn(-c2ccccc2)c1N 33023976 LTXFTYWDBCUWEB-UHFFFAOYSA-N 431.522 0.290 30 20 ICED Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 432713032 GTSURNLAFUOSNR-RBUKOAKNSA-N 429.502 0.902 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 441185887 BNPCXIAOAYTOPM-UHFFFAOYSA-N 430.472 1.125 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2CC)c1=O 443527966 CSBAKQGFOYRZSQ-UHFFFAOYSA-N 427.526 0.932 30 20 ICED Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446527733 RKMVRSXUHCDWCP-UHFFFAOYSA-N 436.534 0.553 30 20 ICED CN1CCC(Oc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)CC1 446531003 PAWRJQFFBSZNIY-UHFFFAOYSA-N 444.536 0.568 30 20 ICED CCS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 447366389 JTMYZLKGGGYMKJ-UHFFFAOYSA-N 433.465 1.247 30 20 ICED C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 462447178 VECGHZGIRLZAFJ-LSDHHAIUSA-N 428.536 0.219 30 20 ICED COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c1 464861141 BJJLBETZXALTOS-MRXNPFEDSA-N 437.504 0.964 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1C#N 472849144 DBDKRZAFGUJBFN-UHFFFAOYSA-N 444.459 0.340 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 479032890 SNTKRSFLFZOXRH-CYBMUJFWSA-N 448.592 0.868 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 481112447 JYEHUOZOHMGVOC-CYBMUJFWSA-N 428.536 0.107 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 481117327 SDENPTYEPYIWHF-ZDUSSCGKSA-N 428.536 0.107 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1)OCO2 487788093 VWDXRPACZBVVDI-UHFFFAOYSA-N 432.433 0.215 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@](O)(Cn4ccnn4)C3)n2)c(F)c1 502224532 UIBIYYPDACKMLH-FQEVSTJZSA-N 438.423 0.467 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccccc2)c1=O 505689279 GJAWDHCNUMAZCF-QGZVFWFLSA-N 449.536 0.739 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508947961 BKEPJXRNDVBYIO-INIZCTEOSA-N 440.570 0.577 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c(F)c1 513367737 VXOPNOUBRCNOPE-GOSISDBHSA-N 429.496 0.527 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 539940175 VXLGHRQIKOVZNJ-UHFFFAOYSA-N 432.458 0.112 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541136650 DMYXLQGBLQGQSL-UHFFFAOYSA-N 436.881 0.440 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 573044049 JFAMVONXPGCGKO-SFHVURJKSA-N 439.520 0.318 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 579875270 HKMSQKQQZBMVJA-PXNSSMCTSA-N 441.532 0.392 30 20 ICED CC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCOC2)O1 587666720 WHNCYGCRQBWCAK-AVRDEDQJSA-N 427.505 0.835 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588865193 YVZZMJUIMDGWSR-LJQANCHMSA-N 447.499 0.617 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C 604269791 CDBIMHDLFATCFT-UHFFFAOYSA-N 428.470 0.634 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C 604269827 FBWBICDEOXYCAQ-UHFFFAOYSA-N 428.514 0.036 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 609788246 OJGVKGCIGCSVKP-UHFFFAOYSA-N 430.490 0.902 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 615255790 SQSWJQVBFOQZLJ-UHFFFAOYSA-N 442.469 0.174 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCS(C)(=O)=O)nnc12 617088100 BITCDXUOFUGJTF-UHFFFAOYSA-N 435.531 0.873 30 20 ICED N#Cc1ccc(N2CCC[C@@H](N3CCNC3=O)C2)nc1N1CCC[C@H](N2CCNC2=O)C1 618151482 WHKYGKDEQRFZSH-MSOLQXFVSA-N 438.536 0.941 30 20 ICED CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1[N+](=O)[O-] 729540252 ZMNKXCUTUIZYDP-NSHDSACASA-N 444.491 0.899 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)Nc3ccc(C#N)cc3)ncnc1-2 729884249 IKDOENMPKNHDQG-UHFFFAOYSA-N 443.265 0.538 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(N)=O)nc1 753647163 GVPYXQNNOYJVIX-MRXNPFEDSA-N 429.502 0.950 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767681918 TZJRHKNESTZERL-STQMWFEESA-N 444.469 0.894 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O)c1cc[nH]n1 772486899 INIXXQMZIRKOIC-CYBMUJFWSA-N 426.433 0.608 30 20 ICED CCOC(=O)[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 774548749 OXJINRWYWVBWHB-HXUWFJFHSA-N 434.518 0.624 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CC(c2cccnc2)=NO1)[C@@H]1CC(c2cccnc2)=NO1 790869792 IOGMBKOXQOMYAM-BGYRXZFFSA-N 432.440 0.399 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870265 VYAYVHMATBLTKR-NSHDSACASA-N 425.410 0.806 30 20 ICED Cc1nn(CCS(C)(=O)=O)c(C)c1CS(=O)(=O)CC(=O)Nc1ccc(C#N)cc1 797936744 IXUNKFYGEZRHSM-UHFFFAOYSA-N 438.531 0.970 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)ccc1C 801553521 RAYUYBQKPASYJE-UHFFFAOYSA-N 428.518 0.931 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NC2(C#N)CCC2)(S(C)(=O)=O)CC1 803967933 MYLFHZMLLQENSM-UHFFFAOYSA-N 443.522 0.906 30 20 ICED CCCC1C/C(=C\c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C/c2cn(C)c(=O)n(C)c2=O)C1 884003320 LEZRGDAQTUEBFW-RWPWKDLBSA-N 440.500 0.728 30 20 ICED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(C2CC2)o1 914885547 SZSRACPNGHYIQO-UHFFFAOYSA-N 433.446 0.948 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCS(=O)(=O)C1 1115833190 LOVYPBJOWFTIJZ-CQSZACIVSA-N 427.548 0.836 30 20 ICED COc1ccc(CC(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1152068955 UEKMAVLPQWWWSH-UHFFFAOYSA-N 436.534 0.316 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1502382444 WTSVEHBOSXYYRC-JKSUJKDBSA-N 428.541 0.568 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 1612600067 SPCKZTKOOYCAAN-HOCLYGCPSA-N 430.538 0.788 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCO1 1622367114 RPZDXBWDOLJQPD-CABCVRRESA-N 438.472 0.968 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1636270702 MKUACCUCWCIYHY-OAHLLOKOSA-N 429.502 0.394 30 20 ICED COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1697818985 WDXGCPYWEVUOHZ-RHSMWYFYSA-N 434.522 0.812 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1706748722 XZIGGJFZLDBJOE-RKVPGOIHSA-N 428.559 0.756 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1724551472 QCFYIXWBNXKGIT-GOSISDBHSA-N 426.477 0.753 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1749772951 MCFIIPCDOJPCMO-HXUWFJFHSA-N 425.537 0.916 30 20 ICED CCn1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1=O 1766960480 SIWNBCXJRXUGAO-MRXNPFEDSA-N 434.460 0.884 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1771361681 NTFSZFLIRMFLTQ-QGZVFWFLSA-N 449.581 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778872221 QKXWQVJKNQFPHI-NPFVIJTESA-N 427.457 0.589 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccn1 1779104620 NBKMCIZPJOJKER-DBAZFPMJSA-N 431.493 0.440 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365578 LJVATIQTWONEDI-GRZUVJQWSA-N 443.548 0.985 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1780169109 NDIAKMFQPFLSCT-QHCPKHFHSA-N 436.468 0.872 30 20 ICED CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009648 SDHURKODRWDRJZ-PMECCGAFSA-N 448.516 0.958 30 20 ICED NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2 1783281346 YSTACUFNAKZKBH-DYESRHJHSA-N 432.908 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1783531324 QOCLOEOXKNYOTM-PXYFQHJDSA-N 427.505 0.247 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1783532717 ASCFBEMTSNHUDU-FCPZNUGYSA-N 428.489 0.168 30 20 ICED COC(=O)N(CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Cc1ccccc1 1783691193 ONQRFTDODMYWTL-JOCHJYFZSA-N 443.456 0.173 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783888832 CHBBJQLSZWZYOV-PJIJBLCYSA-N 430.571 0.377 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CCC1=O 1785376869 XVLHRZCGQHZIKV-QFIPXVFZSA-N 439.472 0.375 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1785380148 OEYFXZFDMVOHOR-JOCHJYFZSA-N 437.456 0.879 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725574 OWJOACBOMVXZRL-MDOVXXIYSA-N 443.566 0.771 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787489505 LCMCNDOJHZBULZ-QZWWFDLISA-N 434.493 0.882 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(Cl)ccc4c3OCO4)[C@H]2C1 1787923280 HNAKOICXVUKWMN-HUBLWGQQSA-N 434.832 0.750 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)c([N+](=O)[O-])c1 1790286606 PYXVTZLQSDBXJX-QRTARXTBSA-N 430.417 0.888 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073146 MLTLHLOSJRESBJ-WDSOQIARSA-N 442.468 0.474 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1791287086 MMAMQKLJZVRKEA-KEXUJGGDSA-N 443.500 0.962 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1792566694 VWTXDADXLHFIGH-AJNYQYLLSA-N 428.533 0.884 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1795598434 FXNQHMVYMSRZKD-SCAQPMJSSA-N 432.550 0.440 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1797589247 GZXFKXHYKXNDIW-JQAJVKEVSA-N 444.488 0.581 30 20 ICED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)C3)no1 1798509892 AJOFHIXZKATPMX-SNODQVMVSA-N 447.492 0.880 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])c3c2OCO3)CC1 1798626305 NKHBFHGQSNWCTC-JJLQDPRZSA-N 428.401 0.830 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC)n1)C2 1799302759 MHJYMSPHFPVIBW-VPTLXERWSA-N 431.489 0.732 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1799395192 KAOFJAMGRZMREL-REGYPHIPSA-N 428.493 0.662 30 20 ICED C#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)C2 1802128083 YBIWVIKYGWKXSZ-RZFLPCETSA-N 436.553 0.491 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1803550390 NAVQFWGONQIIHW-OGWOLHLISA-N 436.472 0.328 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806815146 OIRPNIQAZKTOFL-HLIPFELVSA-N 428.489 0.875 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1807044090 STIZLWYZDGAVQQ-JTAQYXEDSA-N 448.527 0.795 30 20 ICED COCCOCCOCCOCC(=O)N1CCC2(CCCN(C(=O)CC#N)C2)CC1 1809025234 MNCQEGSKNVLDDB-UHFFFAOYSA-N 425.526 0.827 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829710622 FKJRLJNIEKHCIJ-HSZRJFAPSA-N 443.569 0.543 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885490 GOHRDCFPVDZDKM-KKSFZXQISA-N 441.525 0.295 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1831392003 HNKXNKXUSJAJLT-VGSWGCGISA-N 441.488 0.146 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1831396567 FSMGGTZWOAXNJS-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1831437747 HLEOMKSUQSHDNQ-HRAATJIYSA-N 426.510 0.623 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1831748653 TVXATBCYWJJOJX-FQEVSTJZSA-N 434.518 0.307 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3nc(C)sc3n1)CCO2 1832110699 VLQACPPOUHJLCU-OAQYLSRUSA-N 445.545 0.902 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359899 LNRJGPAJJTYUIQ-MRUHUIDDSA-N 439.578 0.552 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1833428065 FGHTWVJNYRKXCJ-GOSISDBHSA-N 427.379 0.726 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833487998 GGAPQDXRMRYNHH-OAQYLSRUSA-N 448.476 0.228 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1833648053 NCSWFRSTMRQKKK-QFIPXVFZSA-N 438.488 0.731 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1835769358 RJCLGJLAJRUVCI-ZFJBLLOBSA-N 434.497 0.784 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835964160 SDFRWXFUYJTJDE-UHFFFAOYSA-N 431.541 0.582 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836034225 DEIXDSZDVMHNSU-QFIPXVFZSA-N 449.479 0.729 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147538 PSJITKJHGFTFBJ-PGRDOPGGSA-N 447.557 0.954 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837375148 HVPZETQKRNPWHS-HNAYVOBHSA-N 428.555 0.070 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1837399435 TUKSVNLJXXTHFD-SPEDKVCISA-N 440.537 0.604 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837512381 JKNTXQCRACHDQJ-XMSQKQJNSA-N 439.553 0.086 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)C1 1837544676 BQZAXISJSVZGCS-NRFANRHFSA-N 432.477 0.135 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1838386374 GWEANKNTCUPISL-MAUKXSAKSA-N 434.541 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739219 OPMSDMZVCKKNNW-NRFANRHFSA-N 430.461 0.466 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)cc1 1838950760 CHVMRZBYLGFNOI-URXFXBBRSA-N 449.511 0.593 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839338199 MYDBQSWNTHKBPS-QFIPXVFZSA-N 438.440 0.030 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839694520 NPIBPUFHQCVVTJ-HSZRJFAPSA-N 426.517 0.253 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009506 ZPNQQWYODCBDHK-URZJWIJPSA-N 433.505 0.333 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(Cl)cccc4n3)C2)C1 1840042771 OBXPRSDUCCKSBQ-FQEVSTJZSA-N 446.847 0.146 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106452 LTEPONOAGWDEJG-LJQANCHMSA-N 429.464 0.667 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409787 DWNLFCOPAJJGOA-SFHVURJKSA-N 426.420 0.523 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841958663 XKRPIRBNJTZLDL-ZIAGYGMSSA-N 449.508 0.257 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203248 ODOFOLMKPKRMSJ-IBGZPJMESA-N 445.447 0.938 30 20 ICED CN(CC(=O)NC[C@]1(N2CCOCC2)CCSC1)S(=O)(=O)c1ccc(C#N)cc1 31936819 TWRNEOMRSNXDLS-LJQANCHMSA-N 438.575 0.503 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 409560388 APXDAKHLEBDBLL-UHFFFAOYSA-N 438.550 0.925 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1S(=O)(=O)NCC#N 427601761 MIHDJQYZIKEVBS-INIZCTEOSA-N 440.547 0.437 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 430385212 IDFQEYVCLSBDSV-IEBWSBKVSA-N 435.546 0.925 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 433893441 GKHHXOFLPAVAQR-HNNXBMFYSA-N 448.487 0.716 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 446521355 GOTZFGAHIQUXLJ-IBGZPJMESA-N 443.504 0.817 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 473390232 PIMSLBJWALMICO-FQEVSTJZSA-N 439.516 0.052 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)C1=O 473512476 YUZDYCSQTSBSTR-UHFFFAOYSA-N 426.473 0.827 30 20 ICED COC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1C 475390599 WGMWVXYQGMUUNI-AEFFLSMTSA-N 448.545 0.522 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CC2(C#N)CCCCC2)c1 475769373 GPHCQHGYTGIUQY-UHFFFAOYSA-N 428.536 0.927 30 20 ICED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 476557447 ZTZCSPSNCJSUDS-RTBURBONSA-N 445.497 0.646 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(C)C)c2=O)n1 477440930 CTCGINYCQUJCAT-UHFFFAOYSA-N 430.530 0.625 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 478862147 WJGMWIWHKONMKW-HUUCEWRRSA-N 428.514 0.179 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccon1 480952314 OREADIUOPYINNS-GFCCVEGCSA-N 444.538 0.970 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2ccccn2)c1=O 489021004 TVIVHXSQTMIAAI-OAHLLOKOSA-N 435.509 0.390 30 20 ICED CCCCCN(CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506037667 UWAGYGHAACLTKH-UHFFFAOYSA-N 435.550 0.369 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 506511556 PCGGVPZYXSLBPW-UHFFFAOYSA-N 443.504 0.287 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)n1 508307068 RIGOOWYNBZBQEA-UHFFFAOYSA-N 427.490 0.023 30 20 ICED CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508318985 ORSCLULZHXLDKM-CYBMUJFWSA-N 433.494 0.123 30 20 ICED COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003978 YJNXHOUXDQZGGW-FKIZINRSSA-N 426.454 0.970 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 515439339 TWYMVWIVWIFCIK-UHFFFAOYSA-N 444.429 0.333 30 20 ICED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 517045358 SGRAVYMFHLOYQZ-UHFFFAOYSA-N 431.536 0.046 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 519776801 QZQXPYBWNJQSIU-LLVKDONJSA-N 440.547 0.665 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)C1=O 522985548 FXQATVAPJMKANO-UHFFFAOYSA-N 430.417 0.268 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCCO1 536086347 VXTGGFCMILJTLI-INIZCTEOSA-N 429.546 0.725 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 539269722 IGONBAVYRBYZFB-ZDUSSCGKSA-N 445.925 0.600 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)C2)c(F)c1 554158491 KAXUUHLKBSBJKA-KSFYIVLOSA-N 427.480 0.911 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCCS(N)(=O)=O)CC2)cc1 557489734 MMBURGUMISWKAU-UHFFFAOYSA-N 428.536 0.240 30 20 ICED COc1cc(CNC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)ccc1C#N 570931954 GKDOVDGGBMSNFS-UHFFFAOYSA-N 449.471 1.482 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 580737182 VMOCYQBVULUQSP-OAQYLSRUSA-N 446.511 0.909 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 584491055 UNPBZADQUUWHPN-MSOLQXFVSA-N 448.470 0.817 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 591493687 JFEFQGSKMGRUFN-UHFFFAOYSA-N 430.552 0.992 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603793484 QJTIAJOFRRPPEU-UHFFFAOYSA-N 441.509 0.475 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)(F)F)C1=O 726403370 JWMWXMORZATUJE-PZWTZLACSA-N 438.453 0.832 30 20 ICED CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 729058533 PWHZAOTUFPQDRF-UHFFFAOYSA-N 442.501 0.903 30 20 ICED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 731888541 VQLQKMGNKNOPSN-RPBSFSNWSA-N 425.445 0.405 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCS(=O)(=O)CC1 746588871 LMPCMZJDZUJTQW-HNNXBMFYSA-N 427.548 0.833 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 755537356 MXKVMNBHSUFLIO-JSGCOSHPSA-N 426.437 0.476 30 20 ICED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCCO1 773054926 KSIVWENMUWVTLB-UONOGXRCSA-N 426.438 0.986 30 20 ICED C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 774443367 PMNICOJXLHIYLS-SRBIXLKPSA-N 442.563 0.711 30 20 ICED C#C[C@@H](NCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@@H]1CCCO1 775807795 VSQODSFDEUTUED-SJORKVTESA-N 425.489 0.703 30 20 ICED CN(CC(=O)OCc1cc(O)n2ncc(C#N)c2n1)C1=NS(=O)(=O)c2ccccc21 782540916 BUKOZFAPTAAYDY-UHFFFAOYSA-N 426.414 0.431 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)NCCNS(=O)(=O)c2cccs2)n1 789125940 WJKHVNRHEKJEHI-UHFFFAOYSA-N 425.536 0.714 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790021210 KHAAWCKGYSZQKV-CYBMUJFWSA-N 447.477 0.236 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)C1 807109370 HDXHTWUTAQYQJL-LKWXMQFFSA-N 434.497 0.908 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 807899817 QMBHVDUMZAMVSU-OAHLLOKOSA-N 439.559 0.532 30 20 ICED O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCCN(O)C1=O 820476098 HMXCBYDKVSGKJM-CQSZACIVSA-N 427.479 0.403 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1 918070506 JCRNTLBBXDFPKT-HMMYKYKNSA-N 431.540 0.690 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 918798985 YVOWHGWBGSLHRG-LRDDRELGSA-N 431.898 0.673 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cccc(OCC#N)c2)c1 1116056800 LPUUHPXYBAYTQY-UHFFFAOYSA-N 430.486 0.885 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1116097977 BNTNGLIEWXPWBQ-UHFFFAOYSA-N 434.518 0.377 30 20 ICED N#Cc1cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(Cl)cc2c1=O 1116668489 KHRVUARTZMCOCB-INIZCTEOSA-N 448.932 0.858 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1460631876 LAPCEJJSTSGENB-HOTGVXAUSA-N 425.580 0.600 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2)cc1 1467808380 UQNUNBVDNIVEOA-OALUTQOASA-N 432.546 0.626 30 20 ICED Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1492902727 WWYMJNQGPFFKFJ-UHFFFAOYSA-N 434.526 0.542 30 20 ICED COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1504093528 KAEIIPIRUPMLFM-IAGOWNOFSA-N 429.477 0.939 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1510188969 QMZFJQWCZVXXDP-CQSZACIVSA-N 426.543 0.560 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 1547859596 KRKAMTDHANVDFE-JCGIZDLHSA-N 427.527 0.076 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1611694554 PHEFKPBNGBHHGA-BBRMVZONSA-N 444.583 0.596 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1652877947 ZRJPDPWAXJTMMW-UHFFFAOYSA-N 447.561 0.749 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1698493782 PLKGUMRPHSQYLQ-AWEZNQCLSA-N 437.551 0.381 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1706870094 VRAKKVDDIXGOCQ-PMUMKWKESA-N 426.543 0.558 30 20 ICED COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1711915278 CDBRJZOLIAIOIR-QGZVFWFLSA-N 445.549 0.679 30 20 ICED COc1ccc(F)cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1748844203 XKYPNYLCMCHOHQ-SWLSCSKDSA-N 438.485 0.813 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778414843 GGXKZBXPCWGSDL-JCFVMIBISA-N 442.476 0.930 30 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0.984 30 20 ICED 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)CC1 1795848374 CUHLGBTWSVKUSH-XFIYOXNOSA-N 445.545 0.108 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795929921 OVVUERSNMGCUBH-BASYENTBSA-N 448.545 0.810 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797706978 VMWNVUOMINZSIV-KPEUIFRASA-N 435.546 0.641 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1797710176 IACYUQOWYPHAEZ-IARIHHJXSA-N 448.476 0.775 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1797742015 JBXOMFNQNGICKO-LXANAVSTSA-N 428.537 0.894 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n(C)n1 1798167621 PGJLCOICAAWASO-TYGXFAMMSA-N 433.509 0.715 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)c2ccccn2)C3)c(C#N)c1 1799237719 ZQYACPBPGRYITI-WKZKVMAPSA-N 449.511 0.794 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323108 SPXZLRGCOZXHRP-VPTLXERWSA-N 449.504 0.736 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H](O)CN2)c(C(F)(F)F)n1 1799918629 AHYWWRUCHHHQQD-RGHULWKBSA-N 437.422 0.947 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)C2 1800453747 MJBZGSIVXIMTEX-BMQTXXJKSA-N 449.548 0.919 30 20 ICED 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]1CNC(=O)C1)C2 1804377208 VCVKLHQFUYOJII-UUAJXVIYSA-N 432.521 0.677 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1c1cccnc1 1808465264 YZBXWDLCYIZDPU-APWZRJJASA-N 432.477 0.953 30 20 ICED CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1)C(=O)O 1809833883 MEPSUEBOMOACNP-XDQYTSLISA-N 438.525 0.809 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)c1 1811406981 ILADFPNJHYPTKA-UWJYYQICSA-N 446.471 0.968 30 20 ICED 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C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832189839 NHZTUDJNWURGQS-QGZVFWFLSA-N 440.390 0.853 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1833074605 SUTDAPKOHNCWOL-PXDRNWIDSA-N 447.580 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833369771 BXARIWDTGFQXFC-ARJAWSKDSA-N 440.548 0.449 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833430326 ZGZBHYJIVMIVDC-IIBYNOLFSA-N 434.493 0.536 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1833470804 NARTWHVSVIPPRK-LJQANCHMSA-N 437.585 0.988 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833861349 VPBIKPLWZRBSDI-NRFANRHFSA-N 436.509 0.482 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834070854 FWCPQXWJQOBLEK-UHFFFAOYSA-N 445.520 0.877 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CNC(=O)c4ccco4)CC3)CC2)CC1 1834599889 XRAGTZHRERTKJG-UHFFFAOYSA-N 427.505 0.885 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359107 XKBSWLVGCIHATC-OPAMFIHVSA-N 446.479 0.704 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835551338 GPTNOOVEWKFKCL-KKSFZXQISA-N 440.541 0.261 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835811874 GHZWOWRUDHFVPM-QMHWCDLVSA-N 429.517 0.224 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835849919 OAKLUYRMCAQMBV-NRFANRHFSA-N 444.875 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nc[nH]c34)CCO2)C1 1836420429 KSSPTYBTPFEMRC-KSFYIVLOSA-N 426.473 0.671 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cnn2c1 1836944707 QWSXMMGQRXNSBQ-NRFANRHFSA-N 426.477 0.658 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837489359 DJGUMORQXOSQLV-DEOSSOPVSA-N 441.528 0.779 30 20 ICED COc1ccnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1OC 1838564008 MSDYPHGEQQROAO-UHFFFAOYSA-N 445.472 0.799 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1839360870 DINYKBWONPHCPN-HSZRJFAPSA-N 426.517 0.918 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581650 VDESBPSTKUZHMG-GHTZIAJQSA-N 436.578 0.933 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004725 MRKXVBOOCGYIDA-XVAXZDLZSA-N 438.546 0.705 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1)c1ccc(O)cc1 1840221371 OOFWNQNWPKYMRM-XXBNENTESA-N 430.501 0.992 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847239285 HHDFLODIKWOESR-FENNVDPPSA-N 449.504 0.284 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 229757547 MQBIOXZEUPPCRM-QKLQHJQFSA-N 447.561 0.635 30 20 ICED Cn1c(CO)nnc1SCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 431237542 QCJPJRCVZKAPJJ-UHFFFAOYSA-N 429.462 0.868 30 20 ICED N#Cc1ccsc1N1CC[C@@H](Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1=O 433693086 BQOWKOKZVNEAOE-MRXNPFEDSA-N 445.526 0.958 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 440282633 MGMIUYWJRBEGQG-UHFFFAOYSA-N 443.939 1.432 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)n1 441664181 NBYWAZXSIDULIE-OAHLLOKOSA-N 445.277 1.197 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 441958774 VLYKBUUEYAXPPW-OAHLLOKOSA-N 445.516 0.741 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 468941211 JSHVSTGZBJMWHV-GOEBONIOSA-N 440.547 0.252 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1 477152402 QVSFRARPOMBNRB-PEBXRYMYSA-N 442.439 0.781 30 20 ICED COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OCC(N)=O 480519752 HKAHVVXJLQWTEY-GFCCVEGCSA-N 432.458 0.736 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 480938909 RLEMRSXAWYXSMG-XJKSGUPXSA-N 434.460 0.841 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccon3)c2=O)o1 480958352 VNCSSODBJSEMFX-UHFFFAOYSA-N 442.497 0.757 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 484980182 ZAQYSLLETLSYCY-BPKBQXTESA-N 429.502 0.523 30 20 ICED CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(S(C)(=O)=O)CC1 488276504 ZWYAMYPBGWUQMX-SFHVURJKSA-N 433.534 0.725 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4ccccc4C#N)CC3)cnc21 488696139 NEQSNWAPQOAHMB-UHFFFAOYSA-N 426.458 0.417 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 489620608 KRFYZDLRHZIGMS-UHFFFAOYSA-N 448.495 0.159 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 506881709 QQBBIWDSNFDYDW-INIZCTEOSA-N 434.474 0.609 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)c(OC)c1 509756151 QEYQAEIHMOGYQU-MRXNPFEDSA-N 440.460 0.670 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C#N 509937804 LCSKFZXYRFVPON-MRXNPFEDSA-N 437.522 0.671 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)CC#N 512059097 QICBHJWODMBACT-QAPCUYQASA-N 436.534 0.880 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2nc3c(s2)CCCC3)CC1 516798204 PLEDNZJQAMGIAG-UHFFFAOYSA-N 433.578 0.517 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 523089543 LZXURIZVVCAAAO-UHFFFAOYSA-N 431.489 0.447 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1cnn(CC)c1 523860183 XKQUDTWFIIIFOQ-UHFFFAOYSA-N 441.513 0.754 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)c2)c1 540686217 ZHKVWKLCCJGMKC-UHFFFAOYSA-N 449.463 0.787 30 20 ICED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)CC1 557240019 YPACUWRPDLKJIO-UHFFFAOYSA-N 439.564 0.277 30 20 ICED C[C@@]1(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 569862575 PVMHXHCUXIUHBQ-FQEVSTJZSA-N 441.469 0.208 30 20 ICED CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 574839291 IDHXGPONKRMSIY-UHFFFAOYSA-N 437.503 0.776 30 20 ICED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 588036425 KFOMBIGVISCOFI-RBUKOAKNSA-N 448.479 0.904 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 604155043 PWCCQURULWVEKF-UHFFFAOYSA-N 443.441 0.938 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CCO1 609282702 HOJNPOQLHXDOLI-KRWDZBQOSA-N 429.477 0.049 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)c(F)c1 609943641 BODJGNZJKIPOFS-UHFFFAOYSA-N 449.439 0.771 30 20 ICED C=CCN(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 619564556 SNNSMALHLSQLQB-CQSZACIVSA-N 434.561 0.584 30 20 ICED O=C(NCC#CCNC(=O)c1ccc(N2CCCC2)nn1)c1ccc(N2CCCC2)nn1 681338342 BIZJGLKUFNOYMK-UHFFFAOYSA-N 434.504 0.630 30 20 ICED COCCN1C[C@H](C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1=O 729068659 FBHGVHKCAIRJLW-SJLPKXTDSA-N 438.488 0.775 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1sccc1C(N)=O 729358502 WZYOEMFQNAEYMO-JTQLQIEISA-N 436.471 0.567 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCOC2)C1=O 751688807 LEXJZTXEJAXZJG-IJVAKHEJSA-N 426.520 0.059 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)C2=O)cc1 753989705 HUFBZMPWTVBLBZ-LJQANCHMSA-N 429.440 0.995 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[nH]c21 754379634 MKBYPGBNUFFRGL-NSHDSACASA-N 431.453 0.266 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CCCN1S(C)(=O)=O 761660274 ISFOYNOOQFNMMQ-INIZCTEOSA-N 440.522 0.919 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767552915 YVQOMXVGOQTQSA-KKSFZXQISA-N 430.509 0.892 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O 767637370 NUPVVCSXQTZQMU-BBRMVZONSA-N 431.474 0.697 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O 767675368 IGNTZZOGCDLERD-ZDUSSCGKSA-N 434.474 0.633 30 20 ICED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 770866021 OEBCVPJNBCHIKT-DZGCQCFKSA-N 442.453 0.949 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 777460704 ROTJSZHIPTZSNW-AWEZNQCLSA-N 446.501 0.924 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)c1 778815848 SGKMMHSLWSPTGB-VYNQKWRLSA-N 444.517 0.766 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)nc1 780336853 OOSQXNYYMUYMQH-WBVHZDCISA-N 433.465 0.445 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784547197 MOQGFQOSORPOTF-HZPDHXFCSA-N 433.486 0.813 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)cc1C#N 787974899 GZMRADRXFVRTBL-UHFFFAOYSA-N 431.449 0.772 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(Cl)cc1F 807326666 LOWLAXMWFVZMJP-KRWDZBQOSA-N 448.886 0.783 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnnn2C)cn1 807935618 GOWCMHBFYWLUBL-INIZCTEOSA-N 447.569 0.621 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@@H]1CCCO1 809313568 TXABGKGKLCSWEZ-UXHICEINSA-N 427.501 0.596 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813980717 HESAEWXTQHETAH-SFHVURJKSA-N 431.405 0.364 30 20 ICED N#CCCOCCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 815180897 YUUMFBLVDLDIDI-UHFFFAOYSA-N 426.451 0.932 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 815860317 GQCLMLPSZRHWFD-UHFFFAOYSA-N 449.577 0.023 30 20 ICED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1sc2c(c1C#N)CCC2 856454942 BOWQERKPDYCQQL-SNVBAGLBSA-N 447.498 0.948 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N4CCCC4)nc3)nc2)CC1 914773352 QAOVBMPNQZAQOR-UHFFFAOYSA-N 430.538 0.854 30 20 ICED C[C@]1(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 915069704 YVMOXRIHMUMUOT-LJQANCHMSA-N 427.442 0.418 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOC 916198570 PBLILVGQFZJUJS-UHFFFAOYSA-N 443.525 0.762 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1293241720 FFOQFRQEJAJKGT-UTKZUKDTSA-N 426.477 0.595 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1299322206 NRBNACHGYHRUFC-GOSISDBHSA-N 438.485 0.857 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1302456647 VVGHEUSOWWRYDP-GOSISDBHSA-N 430.534 0.772 30 20 ICED CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1313448854 PNQIXCZTYRJCGE-JYJNAYRXSA-N 425.559 0.491 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCOC2)C1 1519564114 QSZXPMMHZLSNAT-VKJFTORMSA-N 442.517 0.480 30 20 ICED C[C@H]1CN(C(=O)c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1543721587 QVSBAGMLNBATHW-OKILXGFUSA-N 425.445 0.386 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1555811286 WLCKAFBTCHOGSU-MRXNPFEDSA-N 435.554 0.564 30 20 ICED CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1611646174 URDYOMLPGIUQHV-QWHCGFSZSA-N 434.469 0.385 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710417857 UTMMLYXSFARKBK-DNVCBOLYSA-N 441.554 0.608 30 20 ICED CNS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1729744364 ISGFIFJHQRTLJR-HNNXBMFYSA-N 429.506 0.628 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778757774 GMUASHOVGLZISP-WIYYLYMNSA-N 439.578 0.585 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779101976 AEQHUDIBKBAAEF-VQHJOYQZSA-N 433.509 0.955 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)ccc1F 1781296833 HZETVVWGUIHSBQ-JOCHJYFZSA-N 430.480 0.402 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782955224 YSHCAMWCIWQQGV-GHTZIAJQSA-N 431.514 0.508 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783206847 XYBFPRAFHJZBOP-PXAZEXFGSA-N 437.415 0.778 30 20 ICED O=C(O)CSCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783958669 OAPJYWCGIGBPCB-VJPPVRQASA-N 429.495 0.163 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1784241882 RUKHVXFCRBZSDL-CVDCTZTESA-N 425.485 0.569 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3OCCc4ccccc43)[C@H]2C1 1784403575 XHOZKQKZODBBEF-LEAZDLGRSA-N 426.469 0.758 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1784490066 PJIHAXABKUDDKC-SZMVWBNQSA-N 430.505 0.757 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1784505984 WXQYQDIVPVIBRS-UZSDIVCKSA-N 442.560 0.954 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331634 BATGYRDJJGFGNP-HNRKBYSSSA-N 436.534 0.291 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1789954748 CNTZOMMGORZFDM-LAQRGFTBSA-N 431.493 0.801 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1790584493 CYPZQQQCWHNUMZ-OVWQWFNUSA-N 427.505 0.729 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1791436294 WSGHQXHTGLWSIL-OWSLCNJRSA-N 427.567 0.488 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc(Cl)nc1 1792370117 BEVWFXUOOMLCIH-VLJMEKQJSA-N 437.884 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)c(C)c1)C2 1792484520 JZVOIUNONKXVFL-BSQMBTRLSA-N 441.528 0.994 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1792632917 APFCKAXVWZRYFN-JLVBRIDZSA-N 429.473 0.589 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793228415 WBMYQYWRGRNYMI-ROPHOZQPSA-N 427.501 0.387 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[C@H]2OCC[C@H]21 1795084478 XAOQQWFNBURNDV-NNRKOQHJSA-N 448.520 0.514 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1795275455 ADCPKDRFRFYTFQ-HATOLVCRSA-N 445.541 0.053 30 20 ICED CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797607729 YJIVAOVPNWHNJV-QZEHTVGMSA-N 435.521 0.988 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797612021 XKINFTSMMCSBMK-JPULYRFTSA-N 433.530 0.685 30 20 ICED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C 1797727931 QJVHDMYILWOWRP-XEMDLRDOSA-N 436.629 0.898 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798600218 UPOPLQYHJBAVOT-JLVBRIDZSA-N 425.445 0.295 30 20 ICED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883366 BMYNDPWMHDZMGL-XOIINTDNSA-N 447.455 0.750 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)c1 1800207838 LODTXOZLYGRQLG-VTEUUUEMSA-N 441.419 0.475 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)C(=O)O 1801328096 PGGWLKDTLHCEMO-BJWYYQGGSA-N 431.876 0.873 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801953635 YKKNRHKUBRRBDO-RCLSDMTESA-N 443.544 0.969 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810360691 UOTDZEQFXAQUIF-NWSQWKLXSA-N 428.533 0.932 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1819907234 NIYOCJFATSSAKT-MPSAOAQFSA-N 426.495 0.593 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)n1 1820093327 BIBDMVJYINCMNY-GFCCVEGCSA-N 443.485 0.444 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825660380 IELFRIGXSZMWJN-GFCCVEGCSA-N 447.494 0.860 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825675315 ZQDLKCDLKVILPL-FRRDWIJNSA-N 431.470 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](NC)C(=O)O)CC1 1826940520 VTFMDCZWDCCQFD-JKCVZHOFSA-N 434.537 0.527 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827204781 YHKWTTMEHKLJKI-GFCCVEGCSA-N 441.579 0.772 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829050315 MKAXJBCSAAHFRD-LDBYXDLTSA-N 449.577 0.043 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3C)C2)C1 1829762732 PNQQFWQPZZBYQI-DYRFGFBLSA-N 428.489 0.318 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830056490 BHKPZIUGXPJGKZ-OAQYLSRUSA-N 430.461 0.488 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023619 KMISZGMAOPIWFN-QFIPXVFZSA-N 442.472 0.389 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831213614 RZIYDDZSPZGQNQ-NRFANRHFSA-N 444.444 0.482 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833167447 UMPHFNIHTCSUGB-HSZRJFAPSA-N 442.516 0.174 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834127039 HEMLQXPYNXAECZ-JOCHJYFZSA-N 445.520 0.442 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1F 1834767323 FQQCKMKRGNFQJR-LJQANCHMSA-N 439.465 0.213 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351108 KGEQTCHUIDNIEP-QFIPXVFZSA-N 448.541 0.502 30 20 ICED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732537 IPUSNVHCWZPRRD-JJIBRWJFSA-N 434.585 0.556 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CCO2)C1 1837286518 FYSNSSDKYBIGRU-CPYOPQHUSA-N 436.553 0.584 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486309 AEWVRZHFXWSEIN-WZONZLPQSA-N 449.548 0.056 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489776 UUYMMPLLQRWFJL-LEDOBFOHSA-N 435.565 0.515 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1837662925 KBPDQSIWTAZIJC-KKSFZXQISA-N 425.526 0.498 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2)C(F)(F)F 1837690971 FNZCVRSIKMOLGR-KXBFYZLASA-N 443.422 0.984 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1838325011 YEBYNLGKKDRTOV-HXUWFJFHSA-N 427.417 0.090 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838475335 ISOFNDJBSCZENX-DEOSSOPVSA-N 449.463 0.932 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838830577 GGLRMCSZDCRCQG-JTSKRJEESA-N 448.520 0.518 30 20 ICED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951272 HSUMSCIXJCWQET-NRFANRHFSA-N 445.545 0.112 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100369 QCZAKJYAHPAQMR-LVCYWYKZSA-N 442.626 0.033 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)o1 1839420361 DZWKSZOPWFKYMJ-NRFANRHFSA-N 443.435 0.702 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424921 IBPNIBBRPDICKM-SZNDQCEHSA-N 448.907 0.806 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1)C(F)(F)F 1839892095 TVWRBJRPXAWFCS-QGZVFWFLSA-N 430.383 0.674 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2ccccc21 1840042918 WDQYHEUZOYTUEQ-QFIPXVFZSA-N 425.441 0.336 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840488743 YPTPFEPKMQMGAQ-CWZDDEHYSA-N 445.520 0.067 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1841603130 SPKVZTGATNRLKD-GIVPXCGWSA-N 425.529 0.864 30 20 ICED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)c1cccs1 1843418081 GKQUOTRKNSNNHJ-SNAWJCMRSA-N 427.419 0.415 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1845485317 QVRPAQHTOZZNSG-UHFFFAOYSA-N 443.460 0.980 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845770143 MFJHKDGYKQGMFA-IMDIYXNQSA-N 443.504 0.932 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846461885 WDXYWZCIEUMUDS-HNNXBMFYSA-N 444.488 0.031 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2ccc(C#N)cc2)c(=O)[nH]c1=O 14908305 BNRLWGDSDSVKDC-UHFFFAOYSA-N 442.476 0.799 30 20 ICED C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@@]1=O 429571199 CUFXUUADWOQTEL-HJWYETAXSA-N 438.575 0.234 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc([C@@H]4CCCO4)nn3C)CC2)c1C#N 435306434 LZOSUJVRHUNBNT-INIZCTEOSA-N 426.481 0.473 30 20 ICED COc1ccccc1CN(CCO)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 437448142 NXZMWDLQIFQGID-UHFFFAOYSA-N 434.456 1.416 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440385026 WXSLKSOSQLOICB-INIZCTEOSA-N 426.498 0.829 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)N1CCOCC1 441435309 MRUKQNGPZMCEGG-GOSISDBHSA-N 442.451 0.821 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCSC 443560950 DATNQURYEBFXJR-UHFFFAOYSA-N 447.582 0.685 30 20 ICED CC(C)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n(-c2ncccn2)n1 446527832 RWUCIMGBBAGWDA-UHFFFAOYSA-N 440.508 0.799 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCO1 461170461 OMQXPBZTHLULEJ-JKSUJKDBSA-N 439.524 0.972 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 465273735 SDYYBYMFYIWJEP-CYBMUJFWSA-N 425.474 0.750 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC[S@@]1=O 469640593 UWTGGFKINBHIDB-SSEXGKCCSA-N 428.518 1.536 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)c1C#N 499521232 VYWLJBDOVMOPGX-UHFFFAOYSA-N 430.446 0.295 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 501429195 MSXSSNYGFALRTR-SJORKVTESA-N 440.500 0.801 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 502955840 JDXKNLORPLKYGZ-UHFFFAOYSA-N 430.486 0.765 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508886530 BOEKHQIICKXZAE-HNNXBMFYSA-N 427.575 0.065 30 20 ICED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 515169017 PIDQKKFVYPESRW-GOSISDBHSA-N 435.532 0.117 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 518448025 KVFIIPJJIQYFJP-HNNXBMFYSA-N 427.465 0.371 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 520508678 OKEZGHWHQMZJCR-DLBZAZTESA-N 446.504 0.574 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 520884117 KXIRXKUAQKORBI-UHFFFAOYSA-N 432.458 0.868 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 541156443 BVFZZHBMVQGOAP-UHFFFAOYSA-N 443.895 0.616 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 541743486 JJFZZAAYPQOVKC-CQSZACIVSA-N 442.563 0.403 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 542992842 QCBRLACHYVNQHN-UHFFFAOYSA-N 426.824 0.917 30 20 ICED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 544638464 YTJSJXNYGIGWHZ-UHFFFAOYSA-N 428.470 0.730 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 546005668 UPQLMLZRWCEMAD-UHFFFAOYSA-N 427.505 0.908 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c2ccccc21 546020377 GJZAZRVTVXHSNF-UHFFFAOYSA-N 437.525 0.883 30 20 ICED CCN(CC)CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 546042216 VECZDTUKAKXDID-UHFFFAOYSA-N 437.566 0.933 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1 560283920 ZBWQISSOVSRBTQ-UHFFFAOYSA-N 430.486 0.847 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C)N1CCOCC1 561666937 MMFSQAMRSXEQQM-ZIAGYGMSSA-N 430.896 1.561 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 564682091 SKEFIXVOPDSXNZ-QZTJIDSGSA-N 445.474 1.094 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 573874478 DDEOUBFKEPCSLI-HNNXBMFYSA-N 429.525 0.552 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 610608198 HOIGZOVDLSFUGJ-JEOXALJRSA-N 435.387 0.935 30 20 ICED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 615631447 CVINWVFZEYBFHP-QGZVFWFLSA-N 428.417 0.249 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3cccc(C)c3)CC2)C1=O 726042210 GCOUTDZLDSJWEF-UHFFFAOYSA-N 442.472 0.159 30 20 ICED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 727010677 IJUARVKIOFXCKL-LBPRGKRZSA-N 430.442 0.506 30 20 ICED C#CCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 733161782 ZGGFXRRVALXSDA-KRWDZBQOSA-N 425.938 0.651 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 746927864 DYRRZFDZKDELIU-UHFFFAOYSA-N 439.428 0.456 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)cc1 747796359 DOOUCGQGGWXSOM-AFDUHFSSSA-N 440.547 0.422 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 749688970 VDIBUKFJRNWBBI-UBJVEFMGSA-N 449.533 0.565 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3cccc(C(N)=O)c3)CC2)o1 751686571 IVFMYNCSWZNPKD-UHFFFAOYSA-N 441.444 0.615 30 20 ICED CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 752139955 OLPRIAFJLOSOKQ-GTMGWDBPSA-N 438.506 0.753 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754606971 LYOJBXSYXLXWHP-CJNGLKHVSA-N 443.460 0.480 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 755544782 GASKCDXBPNWHAK-UKRRQHHQSA-N 433.465 0.921 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)s1 770993207 SYDDRDICLXNCAE-LBPRGKRZSA-N 434.565 0.016 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cc[nH]n1 772310529 FTJBAYNZEWQODM-NUJGCVRESA-N 439.472 0.967 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 775795140 MFRGIJCSNWBOHT-ZWKOTPCHSA-N 425.938 0.943 30 20 ICED CCN1CCN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)CC1 787499323 JONRWHPNKDBKSD-UHFFFAOYSA-N 436.520 0.335 30 20 ICED Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 789518388 QQADZELEAFCERI-ZCXUNETKSA-N 444.398 0.946 30 20 ICED CC[C@@H](C(=O)OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 791632407 MXBQKJCNJKCYNG-HNNXBMFYSA-N 437.474 0.134 30 20 ICED CS(=O)(=O)c1cccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 791650372 FGWVHALTZPGUEE-UHFFFAOYSA-N 436.467 0.666 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 793414693 XAWPSSQJLYLYBE-UHFFFAOYSA-N 436.553 0.544 30 20 ICED C[C@@H](CC(=O)Nc1cccc(NC(=O)C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 801511428 BSVUUQNYRCCUAA-NSHDSACASA-N 429.458 0.566 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 802723537 LIWVEZXZCXYCQE-UHFFFAOYSA-N 427.530 0.051 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC1(C)OCCO1 807417543 LUAJHKUQEDPYKF-CRAIPNDOSA-N 428.489 0.681 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 808240827 OSVOYQSWFVYBFB-MSOLQXFVSA-N 426.473 0.387 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cccnc1C#N 813167791 DEOAMISJSNLXRE-MRXNPFEDSA-N 437.499 0.778 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 813422507 FDFYLXPNPXMWTO-CYBMUJFWSA-N 449.485 0.809 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 815860381 IRKQQGKIOBOVPA-UHFFFAOYSA-N 443.548 0.370 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286620807 SZIJZJUCPWMILD-HUUCEWRRSA-N 432.978 0.799 30 20 ICED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)OC 1301024025 VYEXOIUWEMRTGH-SOUVJXGZSA-N 430.531 0.011 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1505145275 LWQJCNLQLNIIOQ-INIZCTEOSA-N 429.506 0.177 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508425642 RIQQAKQVQQYKNT-HZPDHXFCSA-N 425.559 0.303 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 1613594477 KDZIGBWZYUWVJQ-QGZVFWFLSA-N 430.513 0.816 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1744052178 YNHOVXFSKJCUPE-FQEVSTJZSA-N 435.504 0.887 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778726038 UDLBTWFDUMIYNY-HSZRJFAPSA-N 441.484 0.883 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779106751 UQAHATCZZDWORE-DOXZCSRISA-N 435.481 0.401 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783116207 CNECPLSFRWRDRD-SIKLNZKXSA-N 442.553 0.725 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CCO2 1783564843 AYVTWBAWVSMFDW-RDPSFJRHSA-N 439.512 0.959 30 20 ICED C=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)N(C(=O)OC(C)(C)C)C1 1783566895 AKPQDKDXLLFYTF-AOMKIAJQSA-N 447.488 0.470 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785783924 LJDWBUIYXWQNSZ-NXOAAHMSSA-N 445.520 0.920 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787219586 HXGVVDUZUXHNKY-JONQDZQNSA-N 448.524 0.867 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787219587 HXGVVDUZUXHNKY-VGWMRTNUSA-N 448.524 0.867 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1)C(=O)O 1790224480 JHYXVYAKZOYRBV-IKICRFKJSA-N 432.452 0.353 30 20 ICED C=CC[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 1791047070 HKTYKSAKVNBTGO-HMDCTGQHSA-N 425.526 0.816 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21 1791077213 PPUGTBBUMBKHDV-WHOFXGATSA-N 431.836 0.064 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791260184 JWBZOXXSTJHGBM-GVRJEKJASA-N 445.582 0.560 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)c1ccccc1 1795642524 YVSBQYVTRJFYJY-AIYVTKCESA-N 441.528 0.836 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)ccc1F 1795965669 LGSFGVPWYUYCLE-MUJYYYPQSA-N 438.396 0.603 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1796444753 KCKFJPOBNUPPPI-HQSNIFDFSA-N 433.530 0.409 30 20 ICED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797812507 UQSOCSZRTMJTSK-SGFLSRHTSA-N 429.539 0.264 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2 1799301692 GZHZRBJDXYBLRL-UKBAYJJMSA-N 437.537 0.636 30 20 ICED CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885533 KRZHCRCNTDOTRG-LTCOOKNTSA-N 443.529 0.752 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801760795 RBMAZOCHXJTAJL-DYTYQCPDSA-N 427.505 0.964 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991269 BIOPFFXKNHDKJC-XGUBFFRZSA-N 433.461 0.639 30 20 ICED C#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]1CCCN1C)C2 1802124799 KIMXHMIOUKOTOZ-PJVZLEMVSA-N 448.564 0.587 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803597259 BBLSXXUHKHHXSB-PVAVHDDUSA-N 444.494 0.767 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095456 PRKMBEXNPPTXCE-PBHICJAKSA-N 435.431 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804118216 MJDSUYWUHWEFCQ-MDYRTPRTSA-N 425.489 0.734 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806617626 SIYYQHGNSYNYCC-VIZSFHNOSA-N 433.512 0.732 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1810093978 HSLHVOLYILMAFO-SOLBZPMBSA-N 429.477 0.846 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811791905 ZBKSEZNUTKCPOD-GHTZIAJQSA-N 446.467 0.825 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1814218519 NZHUNRWUJLHCRH-GJYPPUQNSA-N 443.504 0.489 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818803015 SSSDALZRYQRNLA-HNNXBMFYSA-N 449.577 0.812 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393471 ZCPSMBVFJJAUJR-OGVCLXNGSA-N 432.529 0.466 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1819716128 FYVYYIAQPRFYFY-GXFFZTMASA-N 438.506 0.171 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2)C(F)(F)F 1825261268 AGLGMRRYZDXOHI-QMMMGPOBSA-N 442.356 0.898 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCNC(=O)c1ccc[nH]1)CC2 1825664518 ZFFBAXBWWDACGK-LLVKDONJSA-N 429.458 0.291 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807962 AVDQZVCTZVDOBH-VGSWGCGISA-N 441.488 0.487 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)C1 1829669003 NGTPPVBGZBDRHU-JOCHJYFZSA-N 430.505 0.961 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829856782 UZZVLYSZLYCPAA-XXBNENTESA-N 449.548 0.056 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829919178 MDHCAYHKDHSCFN-WVMHDHGMSA-N 439.509 0.541 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829945029 RMAPXXMRFKWETD-CVDCTZTESA-N 440.500 0.083 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461736 ZAKMZVHELVVSFE-VGOFRKELSA-N 428.489 0.082 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831437320 BSTUHZFXGDFTTF-HYFFOGBASA-N 432.521 0.562 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831596778 RJKHWPBCJMLZRI-SBUREZEXSA-N 442.516 0.459 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)on1 1832566612 GWKSNINGSQUQJC-NRFANRHFSA-N 433.509 0.264 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3C)CCO2)C1 1832630675 NYICEMZRELTTDG-XXBNENTESA-N 429.517 0.817 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)c1 1833114693 OTTMXLZHXCOPEY-XMMPIXPASA-N 449.511 0.980 30 20 ICED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1C(F)(F)F 1833325997 DVZDGHMIKZRADS-KRWDZBQOSA-N 429.399 0.813 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833386920 XEAIIJZHZFAQPF-GOSISDBHSA-N 436.553 0.583 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833628549 DDWJXLCJORTODJ-QFIPXVFZSA-N 443.456 0.028 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(O)n1 1833698298 DIAQHWUIZDHXCD-CVDCTZTESA-N 442.516 0.504 30 20 ICED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)N1 1834526370 LZBJTUATDZFHAN-FQEVSTJZSA-N 444.576 0.535 30 20 ICED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834987722 NMGTUBSIANUIQB-NRFANRHFSA-N 427.461 0.541 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835677144 JBQRJOCHTYPFKW-OAQYLSRUSA-N 447.540 0.211 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1 1835682235 CSDWJZSDGFTRGU-AVRDEDQJSA-N 431.537 0.787 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835880850 IYIWNMADHGICEL-FQEVSTJZSA-N 429.502 0.757 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836101213 ZEVTYFSDEPZLKO-AWEZNQCLSA-N 444.561 0.593 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2Cc4ccccc4CN2)CCO3)c1 1836485289 SQQSDUVWGLXUMA-URXFXBBRSA-N 449.511 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808493 LMDODOSFAQKXAY-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836982440 NHJHLRZKVJOXFS-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1)C(F)(F)F 1837244222 PVJSTVPQQXDCJY-WVDZOPJMSA-N 426.457 0.720 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837397770 UHCGPWFCKYCNFH-KSFYIVLOSA-N 443.504 0.601 30 20 ICED Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491247 XDUJBDUYSWKWHP-JOCHJYFZSA-N 431.489 0.752 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528375 ICKVSJFQRODEAE-YIPJSWNASA-N 447.492 0.384 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837676493 LWDHXQAIDQNQBQ-YCRPNKLZSA-N 431.493 0.261 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1)C(F)(F)F 1837882908 QJAKZFQRHBOSIO-HNNXBMFYSA-N 434.459 0.696 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc(Cl)n1)CCO2 1838242830 UOOUQGNWOGZUKS-GOSISDBHSA-N 442.255 0.546 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)c21 1838437586 KCOIQRSWCPNEAX-JOCHJYFZSA-N 439.472 0.653 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838549825 KDOYCUBQXJGEAW-HRAATJIYSA-N 438.546 0.836 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)c1 1838735909 BBLFPNLENANPCM-PGRDOPGGSA-N 438.488 0.441 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CCO2 1838977782 ZZZVNIDZEBNMCL-IBGZPJMESA-N 440.374 0.863 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839176390 MQMKMOXFPMASHN-UTKZUKDTSA-N 425.526 0.292 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1839227681 JAJUXEDEAGCCLZ-IIBYNOLFSA-N 433.509 0.700 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)cc1 1839362297 JXNOSWGDBYIEBA-QFIPXVFZSA-N 437.456 0.632 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1839451472 VDDKENMWAFHZCG-UWJYYQICSA-N 428.445 0.045 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1O 1839474142 LWEIZBBLPYCIIV-RNODOKPDSA-N 437.518 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839694851 VLOKOYJOZGGJRD-NGPPOELNSA-N 433.530 0.176 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839699764 TZSHHUOQXDHUPN-OCQZMCQHSA-N 436.530 0.827 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908497 IEGWKASYRKNTEH-CVDCTZTESA-N 432.517 0.964 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3ccccc3F)C2)C1 1840039751 GYKDKLGVDSGZIH-QFIPXVFZSA-N 432.448 0.693 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840164209 BYTFHJDMCDGMKZ-LPMFXHHGSA-N 431.555 0.674 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1840167675 FSIWNTQYIXOMHO-OAQYLSRUSA-N 446.460 0.872 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549737 IKMXZKSQFAJPOZ-YLJYHZDGSA-N 428.551 0.646 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1840716609 OQWPOAPENZKKTN-GAJHUEQPSA-N 426.517 0.945 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840841609 KVZRVGHYGOXJKP-JOCHJYFZSA-N 426.473 0.450 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1840842877 HLUBBIPMSIVAGL-JOCHJYFZSA-N 429.473 0.742 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840900021 GOEBRECOXYDSFU-SBUREZEXSA-N 440.500 0.565 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)N(C(=O)OC(C)(C)C)C1 1842947918 XGCXYWOTVXDMLR-HOTGVXAUSA-N 449.552 0.348 30 20 ICED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1843233797 DLRNSBMGFKROOE-UHFFFAOYSA-N 432.444 0.134 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C1 409569684 IHLWNWHKNMFKSD-DOTOQJQBSA-N 442.563 0.666 30 20 ICED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c(OC)c1OC 410149930 YELHFEFPDYGZBA-CQSZACIVSA-N 440.522 0.806 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 432799306 XDYDJPUKCBPUMN-ZDUSSCGKSA-N 430.494 0.736 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)C)C(=O)C2)cc1 441286679 HXVDAEBIKUQDNU-UHFFFAOYSA-N 436.534 0.758 30 20 ICED CCCc1c(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)cnn1-c1cccc(C#N)c1 443694134 RPQCVEWBWBGJAH-UHFFFAOYSA-N 434.460 0.904 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 446395182 BXGIVMDDPAZIBL-DFEHZGFQSA-N 429.498 0.688 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1Cn1cncn1 465424610 UVGPGUIYERNODN-OAHLLOKOSA-N 431.460 0.664 30 20 ICED COC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](C(=O)OC)C1 504885947 SIKXWOBQOYJTCS-HOCLYGCPSA-N 437.474 0.445 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)CC1 519883086 APRXSGYNTCPYFK-UHFFFAOYSA-N 438.550 0.200 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 526038223 KSQINWCMKJBGJF-LLVKDONJSA-N 449.891 0.686 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1=O 533620353 GGMKTULGAQAIKA-AWEZNQCLSA-N 425.449 0.816 30 20 ICED Cn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ccc1=O 541957963 OSBCJPQUOHOGBJ-UHFFFAOYSA-N 437.435 0.851 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549265806 LMFNKWDMRZPEDI-OLZOCXBDSA-N 438.514 0.294 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 551065745 HXPWKZDZVIEJNG-OAHLLOKOSA-N 443.485 0.967 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)c1C#N 552494240 CSVSBBLFBZCVJF-UHFFFAOYSA-N 442.505 0.104 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 553089205 DDOPCKZSKUBWRM-QRTARXTBSA-N 442.563 0.449 30 20 ICED C=CCN(C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)[C@@H]1CCS(=O)(=O)C1 555859501 CWBZSQDQPZDGRQ-GFCCVEGCSA-N 429.458 0.904 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 560024267 JGICXVCSQJRZLP-IEBWSBKVSA-N 447.499 0.745 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 563913376 JDIQTILKQRUMQE-HKUYNNGSSA-N 425.599 0.473 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 564526136 WALOPNPWMIFITD-UHFFFAOYSA-N 428.536 0.014 30 20 ICED CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 568863166 UBMAXEPGDMUICM-UXPWSPDFSA-N 425.533 0.964 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 569513401 NFKXYZBZADMBFO-KRWDZBQOSA-N 447.561 0.382 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2=O)cc1 569762849 MJKZTPBTLIYREH-GOSISDBHSA-N 442.541 0.900 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 578818947 YMWRQTYMPQUUCG-TUFLPTIASA-N 440.544 0.799 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 588869792 LLWRCEISOLQZGN-QYZOEREBSA-N 437.500 0.293 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)ccc1SC 589156987 HMMXBHXKLMZBHE-UHFFFAOYSA-N 431.539 0.854 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C1CC1 603996581 IXMZRDNZNDJQGT-UHFFFAOYSA-N 441.509 0.672 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1CC(N)=O 608911716 JCORFUGNFDPSFD-UHFFFAOYSA-N 438.509 0.733 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610811102 YXKQXYRGRVRJBO-PJFSTRORSA-N 433.490 0.062 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)cc(Cl)c2)c1=O 614395017 ACDJQELRGAAODI-UHFFFAOYSA-N 448.907 0.572 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 615213715 FBFRWZFTVGYRQR-UHFFFAOYSA-N 429.502 0.607 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673468 QXYDGXFRXUUNHQ-UHFFFAOYSA-N 439.584 0.291 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 729924670 UERQIEVPABKYRY-CQSZACIVSA-N 434.474 0.545 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 730802109 YVRYMDPCGOVLMH-UHFFFAOYSA-N 432.452 0.081 30 20 ICED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cn1 731353419 NYKSBEGEWLNDCM-UHFFFAOYSA-N 426.454 0.541 30 20 ICED CCCn1c(=O)n(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732909364 AGMBIYYPFNWSPT-OAHLLOKOSA-N 432.502 0.569 30 20 ICED COC(=O)COc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 734440455 XGBYBNPEGVHMMB-UHFFFAOYSA-N 431.470 0.983 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 741211310 GZQZWKGILBBXJG-LJQANCHMSA-N 426.517 0.198 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cn(C)nn2)C(=O)/C(=C\c2cn(C)nn2)C1 741467453 OEBQFSVMKPMOOW-GFIWHYBVSA-N 443.493 0.024 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)NCC(=O)OC 744594230 OMAQDMDXOZRJLH-ZSEKCTLFSA-N 429.429 0.372 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c1cc(Cl)ccc1F)[C@H](C)O 744852282 VXJMDVBSSXMKCU-PKFCDNJMSA-N 429.832 0.902 30 20 ICED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 749373276 HOEOBVUWEXJZGX-IAGOWNOFSA-N 433.578 0.742 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3nccnc3C#N)C[C@@H]1C)C2=O 756909764 VBIWJVZXZMZPLB-DBWCEAHUSA-N 440.508 0.391 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OC)c2)c1=O 758050130 NTBDLNAOISUCKD-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)c1 767274734 PIBMCICBUADWGJ-UHFFFAOYSA-N 440.433 0.620 30 20 ICED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 772718653 VWSVNCZTKYMYMZ-OAHLLOKOSA-N 430.280 0.848 30 20 ICED CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 774482471 GJCVWXBKAUYZSX-CJLVFECKSA-N 435.506 0.032 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCCO1 775785937 SUCIPWLNLGNCAA-ROUUACIJSA-N 436.490 0.198 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 776472867 BBVJQJLFIHHSAM-OFNKIYASSA-N 438.528 0.641 30 20 ICED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 779549703 NIROVGIOVBBOCH-GNUWIVDASA-N 449.533 0.550 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 780048460 QSSVVIKLHRYMDC-INIZCTEOSA-N 427.505 0.929 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789171972 HOHSVFLSRDMGPK-KRWDZBQOSA-N 441.525 0.743 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c(F)c1 802574661 UDANYOKPAZNIKC-AWEZNQCLSA-N 443.472 0.784 30 20 ICED C#CCNc1nc(N[C@@H](C)CN2CCN(C)CC2)nc(N[C@H](C)CN2CCN(C)CC2)n1 804440704 MRNAFCAQFZLVAF-KDURUIRLSA-N 444.632 0.012 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CCC3)c2=O)cn1 814251779 RZIWGZUQBOUYES-UHFFFAOYSA-N 429.571 0.930 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 815266609 PZVYLESOZASMMU-OAHLLOKOSA-N 438.506 0.791 30 20 ICED COc1cnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 815523891 ATLHRSFHGRBAOE-UHFFFAOYSA-N 445.457 0.047 30 20 ICED O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCN(O)C1=O 816756080 PJNFPTWRIWMGHF-HNNXBMFYSA-N 441.506 0.793 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 849118485 CJFREQGURHRXCI-IBGZPJMESA-N 438.506 0.911 30 20 ICED COc1ccccc1N=C1SCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 873743314 DUJQFCARENEOCU-UHFFFAOYSA-N 428.474 0.705 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 914994903 RIIPRKRIZKFBJL-CABCVRRESA-N 426.477 0.806 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2ccccc2=O)CC1 918993415 VVCOSTFIOIHJPV-UHFFFAOYSA-N 437.412 0.860 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1116874060 PGBHBODIDSAPEB-UHFFFAOYSA-N 437.525 0.596 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)CCO1 1303010005 QOAVACSLQPPMFW-HNNXBMFYSA-N 430.440 0.584 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1303641660 SJHDQRJJZSCPRB-IIDMSEBBSA-N 426.543 0.918 30 20 ICED CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1306103090 YRRPGKQYSFNFTJ-FQEVSTJZSA-N 433.534 0.915 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1315073087 YFHLYBUDISCFHB-OAHLLOKOSA-N 440.913 0.788 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1316533351 MTQPDVYFUPEIHR-IBGZPJMESA-N 433.490 0.115 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1611711447 OCWXZLTVODHVPL-URLQWDBASA-N 434.522 0.525 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCN1C 1685726589 UNELJLPRWHRURR-LPHOPBHVSA-N 434.566 0.208 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1706055687 VAMGPAUOBLBOBY-GOSISDBHSA-N 441.492 0.158 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1706748957 MUIYCXGKABJKQR-KBPBESRZSA-N 441.583 0.346 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O 1711279261 SHMNGLHMSDVEAM-INIZCTEOSA-N 428.518 0.920 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)cc1C 1724398810 MEIZLUBCGAHAHS-MRXNPFEDSA-N 432.506 0.921 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOCC1 1741931397 NQTKRILFRKXQSN-VQIMIIECSA-N 439.586 0.741 30 20 ICED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1749853070 WWLLMKGNJRQVRG-CXAGYDPISA-N 440.505 0.221 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCC(O)CC1 1764909767 QHYWHLSYOVWVHK-UHFFFAOYSA-N 441.584 0.928 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1Cl 1778849312 DBKWVPMHLCPOKN-FQEVSTJZSA-N 443.895 0.988 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1778980473 VVQMLXIFLSQKEH-PIGZYNQJSA-N 431.415 0.840 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1779064988 LRRYDWAOEUKATG-MTXNFPGFSA-N 429.561 0.855 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065493 UGCWSLFCKPMPEC-PGRDOPGGSA-N 429.521 0.443 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779139776 JFBZZLXEUXISQK-TZVKMXPSSA-N 440.382 0.979 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779339112 COJOXWYPAVIZSV-BIZBXSGISA-N 442.578 0.651 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779525622 OKGHDRJIBTUBIC-NVAXRVGSSA-N 430.465 0.090 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c1 1780176300 RRUZWQLUWXJKNG-JLTOFOAXSA-N 425.449 0.258 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C(F)(F)F 1783201048 QJZNFDKVRGKASP-SWLSCSKDSA-N 427.445 0.263 30 20 ICED CCN(CC)[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783564734 FDXVKTZICRUKGY-GMAHTHKFSA-N 427.501 0.987 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567406 NBCWMPBHBXZSQY-YDFBLROQSA-N 447.488 0.304 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1784022621 RKPAWLLVRXZSAT-KDNSLJGTSA-N 441.528 0.442 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)OC)C3)C2)c(O)n1 1784256255 HOXYAARBQRAGFD-OAQYLSRUSA-N 432.477 0.705 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3OCCc4ccccc43)[C@H]2C1 1784403573 XHOZKQKZODBBEF-FFGOWVMKSA-N 426.469 0.758 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1C#N 1785198008 QXFPBFZNJLFSHI-MBSDFSHPSA-N 440.500 0.925 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785546575 HOAACOOUSVPSQL-INIZCTEOSA-N 433.502 0.888 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788472825 IFYNKMKORAJCTR-NTLWEQJWSA-N 429.473 0.082 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c(C#N)c1 1789839626 NRSXKFKABYYHSY-SNRMKQJTSA-N 449.529 0.134 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1793082676 RVVLECFWTHSJOK-DFGXFYAUSA-N 436.509 0.516 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2noc(C)n2)c(C#N)c1 1794061825 RTCDYINVZQAEGC-FAQVEIGNSA-N 439.472 0.633 30 20 ICED CO[C@H](C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)N(C)C(=O)OC(C)(C)C 1795085539 JGVVQMLYFNPPHX-XHHISWJOSA-N 438.525 0.760 30 20 ICED 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(c3ccccc3)=NN1)C2 1797709868 FGXFVHCXFHQUMJ-LXDWIVHCSA-N 440.544 0.915 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784214 PHRXZKPTKWMCIN-UGNRZPKXSA-N 441.532 0.565 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cn(C)nc2OC)C3)c1 1798574257 UGKABSQDJSPDOB-HGKCTWBKSA-N 439.472 0.826 30 20 ICED CN(C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccccc1Cl 1800313231 VGJCXDLHCBCBSN-ILWKUFEGSA-N 433.892 0.620 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1803547522 LDBNHPSOBGOZCF-BPQIPLTHSA-N 433.472 0.877 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1805169509 ZYWONCRASSEXCR-MBSDFSHPSA-N 446.511 0.756 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811453029 XAWABJQPIFAXEJ-LPHOPBHVSA-N 437.504 0.766 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)c1 1811540882 NYCKWACQUIYHEF-DNVCBOLYSA-N 444.455 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813455137 RKKIMDJIGUVDPV-PILZBJCKSA-N 436.516 0.922 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817295339 WLNOVKLSRBXVRK-CNPYVQQSSA-N 426.481 0.954 30 20 ICED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)n1cnnn1 1819907894 ULTCNYWGVPCGOJ-AUOOYVKISA-N 448.509 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(C)n3)C2)C1 1829765225 NLFYZFQINQEQLE-FBQMEGEOSA-N 434.518 0.380 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1829783585 RRFQIFCYJXUXAL-JOCHJYFZSA-N 445.520 0.638 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830861619 ZZQMVFOTZYDDLD-JTHBVZDNSA-N 429.517 0.964 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NCc1ccco1 1831216431 QBKSTSDELCMHSK-AVAOGFIGSA-N 441.484 0.322 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831481853 BVDKQOHUWMGBIK-CXAGYDPISA-N 429.568 0.604 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831627532 ACJPSQSLHGFZCX-XWYFEKNZSA-N 427.498 0.254 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831951135 HOBAFJVNLMGMJD-HTAPYJJXSA-N 433.505 0.733 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832151057 QIZGSKARAHXJSF-ROUUACIJSA-N 438.443 0.739 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2)C(F)(F)F 1833446781 OVTRPIKCLPJCNZ-QGZVFWFLSA-N 432.399 0.617 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1833464621 KQJKUGOIMFBTLD-QGZVFWFLSA-N 444.532 0.619 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833468708 NHSOWIMLAVIUGB-MRXNPFEDSA-N 427.567 0.031 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833490034 ZQWRPGVTHMIXIL-WBVHZDCISA-N 439.582 0.111 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833811499 VVLWYDLGNBWJGU-NRFANRHFSA-N 430.509 0.137 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834767675 OWHFVYNVQHLPPR-OAQYLSRUSA-N 431.445 0.222 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c(C)n2n1 1835356937 CFSUWOQWXDJYFR-FQEVSTJZSA-N 427.465 0.115 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1835675182 WFKSAEPFDFEONV-LJQANCHMSA-N 436.538 0.077 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883832 FZVNJSDMYNQSCG-UZLBHIALSA-N 433.534 0.754 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837394981 NDHIVMDKVITTBV-MGPUTAFESA-N 438.912 0.773 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440991 KSAMVGGNVIZWTJ-XMHVBLFMSA-N 447.536 0.762 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486802 QNGQCBNWHRCCSI-AUSIDOKSSA-N 449.548 0.056 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488750 PLWINONHEHJODF-QHCPKHFHSA-N 444.532 0.672 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837655285 BMODZVOXMOVKGA-UGSOOPFHSA-N 429.926 0.889 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033559 IOUSREUKRSNFJQ-LIRRHRJNSA-N 426.420 0.387 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838533061 IDBDUSXIMHUNHB-XMSQKQJNSA-N 433.505 0.028 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)n1 1838669004 AHQDPHXDGRBJFB-JOCHJYFZSA-N 445.520 0.448 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970266 GEDKPYMVPWDCMM-MBIGCVILSA-N 447.488 0.991 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1839175713 AEDWCZIEAVXQKX-OALUTQOASA-N 430.448 0.998 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839344380 CIHQDINFXXRZJU-HSZRJFAPSA-N 442.516 0.897 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(Cl)c1 1839872310 GKUZHQLBXAGPNT-QVKFZJNVSA-N 446.891 0.418 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908499 IEGWKASYRKNTEH-XXBNENTESA-N 432.517 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1841857036 XMYYGVFWQMVWFG-JJEJIETFSA-N 428.533 0.839 30 20 ICED CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409580724 OHPXTMIYOLLCRR-QGZVFWFLSA-N 442.563 0.508 30 20 ICED CCO[C@@H](C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cs1 410134573 JAIHZZHHFNIUIY-GOEBONIOSA-N 429.568 0.827 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 428411474 FACLMRILJLAVSC-UHFFFAOYSA-N 436.471 0.076 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 433069684 SQSMNFCGBPODMS-LJQANCHMSA-N 437.566 0.337 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cn2)C[C@@H](C)O1 438753402 HWULUKROUOUUFX-CALCHBBNSA-N 447.540 0.151 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)C1=O 440253407 HDUIEGIJDAFNCC-MRXNPFEDSA-N 434.518 0.620 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 445199689 YTGLIFZMWFBJRA-TZMCWYRMSA-N 429.351 0.963 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC(OCC)C2)cc1 447429543 ZPQUGDSABHUWBU-UHFFFAOYSA-N 425.507 0.478 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 465418724 CXNUCGVMRWUFOV-ZDUSSCGKSA-N 434.460 0.768 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 467236208 DMZHDSFLGVTCNS-UHFFFAOYSA-N 428.424 0.895 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467290073 HADPTXVJZYJNCT-INIZCTEOSA-N 425.493 0.284 30 20 ICED Cc1cc(NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n(-c2ncccn2)n1 467600119 KDLZOYMQIAKSMC-JLCFBVMHSA-N 442.439 0.781 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481428869 BEIPQFRNVDNEIG-INIZCTEOSA-N 435.550 0.238 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 488325850 PXUKMIPLCKUGPZ-QGZVFWFLSA-N 427.548 0.793 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 490488986 SZIYAUMTGXDHGR-XVSDVWIESA-N 444.517 0.578 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 491200744 MFNSKPCPIVRFFA-GOSISDBHSA-N 443.548 0.465 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 495980406 DWENVXMBWMCLEB-UHFFFAOYSA-N 434.562 0.921 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)NCC3CCC3)C2=O)cc1 505512103 APYTUHVEWIPLBN-KRWDZBQOSA-N 447.517 0.599 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505546322 DVOULCNGWOEPHQ-ZDAKNRLOSA-N 443.456 0.944 30 20 ICED C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508717615 UETQBSFUHRMAKN-UHFFFAOYSA-N 439.480 0.387 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C 509386008 PPDNZCTZWPFHFY-UHFFFAOYSA-N 429.527 0.174 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 515894720 LSYLHJZTNCDHBR-UHFFFAOYSA-N 443.441 0.938 30 20 ICED C=CCc1ccc(OCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC)c1 522859929 JYGYRHDRWSLTSY-UHFFFAOYSA-N 429.473 0.622 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 525177479 JWPLZBWNBBXZTK-UHFFFAOYSA-N 439.513 0.180 30 20 ICED COc1cc2c(cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)NC(=O)CC2 525847157 CLKSEEULOZGUGH-UHFFFAOYSA-N 425.449 0.787 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 536346856 ZHCVOEXHWNUHKF-FFZOFVMBSA-N 442.541 0.977 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 541083292 DWZDHFKJYRWGRO-UHFFFAOYSA-N 434.499 0.873 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 563843225 RRLCATDSWBNVOS-UHFFFAOYSA-N 445.520 0.914 30 20 ICED CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 571716859 NLSHVLFTJYJXCC-CQSZACIVSA-N 446.533 0.623 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 573133588 CLDIETXEXHYONV-ROUUACIJSA-N 444.488 0.171 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 573643018 WUVIRSRKXUUFCL-LBPRGKRZSA-N 431.447 0.928 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 576866000 BMEAFUNAXBPTLW-UHFFFAOYSA-N 445.501 0.598 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 579138699 KQRVSTCSOGFXKB-BETUJISGSA-N 426.481 0.560 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604142353 JUCBWLWPMQXXGJ-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609038837 NOBSNBWYMSXQIJ-UHFFFAOYSA-N 436.493 0.502 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCCC#N 612061022 VZHMOJMDUQQQJA-GOSISDBHSA-N 436.534 0.882 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O 623224079 FKDGBMQHJOCLSL-LBPRGKRZSA-N 433.852 0.889 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725764972 GYWOYAMVNWJGBU-OPAMFIHVSA-N 426.521 0.815 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 728573551 QGNBUOGHGQEWGR-DNBYOKIBSA-N 429.565 0.537 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 729282035 VXUPOLFGTFNDOH-GOSISDBHSA-N 440.500 0.304 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 729888884 MUIHYWZZOXPUNM-CQSZACIVSA-N 442.925 0.997 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 732562887 NDIMFMKZSUSVLZ-UHFFFAOYSA-N 437.481 0.136 30 20 ICED COC(=O)Cc1nc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 736112196 SMUYACDKGVJGNR-UHFFFAOYSA-N 434.478 0.758 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCCO)c1 737234474 ZEYNSENTGKOULN-XLNRJJMWSA-N 440.522 0.343 30 20 ICED N#Cc1ccc(-c2ccn(CN3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1 744146613 HKAGGHAKIAVBGD-GOSISDBHSA-N 449.558 0.514 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 748816374 SEIOWWAQYKWWMV-UHFFFAOYSA-N 444.479 0.188 30 20 ICED CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2O1 751988540 IBKJFENNSLQZCH-JHHGQVAESA-N 435.458 0.358 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 757898098 LVUHPNVMWIFUTM-CQSZACIVSA-N 431.515 0.450 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 758300603 MEEUZKVKQCIULM-GDBMZVCRSA-N 437.522 0.935 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 761030304 FXGHIKMTJXRJAH-MRXNPFEDSA-N 446.451 0.776 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 783480830 VFBPINVDUNMPAC-MRXNPFEDSA-N 431.514 0.900 30 20 ICED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 797541640 URQBOSHEOCHSFA-AOMYKUFJSA-N 449.533 0.423 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1=O 799177137 ILHJKRQOTVGMQQ-IERDGZPVSA-N 429.477 0.212 30 20 ICED C[C@@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 799863479 WRGSIAMRKNDLNW-NHYWBVRUSA-N 449.508 0.860 30 20 ICED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 807823149 GLLCYFWXNXFEPI-INIZCTEOSA-N 442.520 0.975 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808238103 RWARQDMNPLKNTG-ROUUACIJSA-N 441.488 0.512 30 20 ICED C=CCn1c(Cc2noc(-c3c(Br)nnn3C)n2)nnc1N1CCOCC1 810282067 KVGMVFLFDJOUIP-UHFFFAOYSA-N 436.274 0.833 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCNS(C)(=O)=O)cc1 916719639 GFMUOHWYOWBNDL-PGMHBOJBSA-N 445.567 0.950 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 918892257 XBLRWCDYRJWHQH-CQSZACIVSA-N 438.506 0.336 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(OCC(N)=O)CC2)cc1 1116153529 LGVPNDRRJAHHEZ-RELWKKBWSA-N 437.522 0.998 30 20 ICED CN1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503682799 YEZRIACOGUYSOI-GHTZIAJQSA-N 444.561 0.755 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509636549 TVUARMWNZVBNEL-INIZCTEOSA-N 437.570 0.828 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 1541942978 NMVQXAFDACOLEQ-GOEBONIOSA-N 437.570 0.370 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1554658342 PSMMMCPQHXXNIF-IMJJTQAJSA-N 426.543 0.632 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1555991384 SJHZXESDLYHZAA-SFHVURJKSA-N 439.520 0.512 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1613558642 ITKGTTSPZBFUCS-GOSISDBHSA-N 443.549 0.966 30 20 ICED COc1ccc(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1664543802 AMGCZYYZYSHJOO-UHFFFAOYSA-N 429.252 0.570 30 20 ICED COc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N 1679988011 ZMLBMMCXNGCGGH-OAHLLOKOSA-N 442.519 0.233 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCOCC1 1707912110 UPIIEEWAZOJIGB-IAGOWNOFSA-N 425.541 0.932 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCS(=O)(=O)CC2CC2)c1 1750381270 NJTJECQASHOGQL-QGZVFWFLSA-N 428.518 0.953 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@]2(CCOC2)O1 1752319568 QXNCUSXRBBZDAB-QRWLVFNGSA-N 446.533 0.750 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1768522826 VHEGIPDZRMSZLD-QGZVFWFLSA-N 436.473 0.259 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC#N)C3)CC1 1778755123 VQIGBHBXVOZWMG-YLJYHZDGSA-N 440.566 0.476 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cccc1=O 1779063499 ZQAMRJPAVSECBL-QHCPKHFHSA-N 427.501 0.527 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779107280 PRSZXSJJSAMDTG-QEPGBGQSSA-N 447.492 0.474 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780333704 AKVCRGHWMVAGOG-NRFANRHFSA-N 433.428 0.047 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1780696970 QUZRAJVOYKPXCC-HSZRJFAPSA-N 448.483 0.646 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(CCOC)n1)CCO2 1781268268 LEOIJUKGYGTGAK-NRFANRHFSA-N 434.493 0.482 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729657 HPUKASWWHPZECV-RDPSFJRHSA-N 442.560 0.786 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783617175 QRQKCIAOPUGYHH-HYFFOGBASA-N 435.521 0.600 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1783766252 ILYWSESMPFZPMM-IERDGZPVSA-N 448.524 0.577 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)cc1 1784276685 MJDATAJXRDPGDG-FHWLQOOXSA-N 426.473 0.533 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1785572565 MPBNHCVUZWHBNX-KSFYIVLOSA-N 445.520 0.780 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3occc3Br)[C@H]2C1 1787588371 SCEQIQWMTCJZHX-GVXVVHGQSA-N 425.235 0.723 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nn1C 1788660588 YZQFISJSQNJUAX-MOFWARSWSA-N 449.508 0.551 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788777736 GDQWSWUGCGWAHG-UUXHPUJUSA-N 446.479 0.442 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1789890395 QSYVPVKKNLHTDZ-JYJNAYRXSA-N 442.534 0.382 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CC)C[C@@H]21 1792255341 IVUKTCHEBJVCJF-ATIWLJMLSA-N 437.537 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1F)C2 1792490429 UXJBDIQONCDQNV-JLRLZTEKSA-N 433.455 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccnc1Cl 1794236033 FZXNXDLWJYQKPY-YOEGPNAJSA-N 436.871 0.936 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1796074130 DNDNMSGRJYQFLY-IZZQQSIFSA-N 433.530 0.796 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749113 LKZLBBKEBVIVDB-DLTLXFJOSA-N 433.896 0.862 30 20 ICED C=CC[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 1800491121 OLBFGKPPIXEVQR-ZURLZEQWSA-N 430.505 0.795 30 20 ICED 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 1800989744 QQEURTVNPZAYBX-AUGJRDSBSA-N 443.566 0.266 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1 1802482445 NFMCHYQHYJKOIX-KTTXHFHUSA-N 449.511 0.808 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1803551746 BIBAIWMOEGNXMQ-LULLPPNCSA-N 433.530 0.703 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804088471 REMBKUMWMGAZDO-DYESRHJHSA-N 443.504 0.622 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncnn1C)C2 1804374248 ZNAIDWYDQMEMAP-QKPAOTATSA-N 430.509 0.984 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806082276 ADHQUZGFKAQKCN-DXCKQFNASA-N 428.518 0.659 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc(O)n3c2CCCC3)[C@H]1c1cccnc1 1812880903 NRVPIPZVKVBJJX-YWZLYKJASA-N 437.456 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)[nH]n1 1814433725 DGMATCKCVAGNQW-SVUXDUJVSA-N 428.493 0.786 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814585445 DGEUNXFZASIQGW-MEJMFZKBSA-N 431.518 0.536 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](C)S)CC3)CC1 1818898273 DEHMZCNRCRAVQM-AAEUAGOBSA-N 425.580 0.538 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819953595 RMUYEPWGMKUBLK-KEIACLSDSA-N 447.517 0.918 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3sccn13)CC2 1825667180 NZEKTYVVMPZHPK-SECBINFHSA-N 443.466 0.526 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826216352 NUAWQWQDINXUTP-OLZOCXBDSA-N 432.550 0.863 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CNCP(=O)(O)O)CC2)c1 1826805632 JMGLQNZUKKOSCI-QGZVFWFLSA-N 437.437 0.844 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)n1cnnn1 1826977956 IJNXKOZHFHXOBG-AUOOYVKISA-N 448.509 0.832 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1829630825 CEMDUNHMIIPTTG-QFIPXVFZSA-N 440.456 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1829759195 AWHVINHYONHRQA-GSUMYJRQSA-N 441.475 0.737 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(C)n3)C2)C1 1829765224 NLFYZFQINQEQLE-BBIZLLLXSA-N 434.518 0.380 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1831216648 WUEYHJXGALDXBG-OAQYLSRUSA-N 443.891 0.866 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1831387878 SFCAAOVVTLUWAU-JLTOFOAXSA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1831392236 CFSQQXPKWYUUQC-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835056282 AGMKFBLTBQKJNJ-QGZVFWFLSA-N 429.525 0.518 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(C#N)c1 1835345843 GDHOCRAFSFJITM-HSZRJFAPSA-N 438.484 0.870 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835418420 LMXIXNNALFDQKT-QFIPXVFZSA-N 436.553 0.541 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836512956 WOOCTNVVSJVUPD-IBGZPJMESA-N 448.564 0.869 30 20 ICED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1836559854 JNCGQGZLHVLTFQ-HUBLWGQQSA-N 441.623 0.679 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837402746 CZBDYRHUJOIXED-XXBNENTESA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837442165 QYJFUSDJHYYEAQ-MHRHTVJOSA-N 447.492 0.035 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C1(O)CCC1 1837486648 LJUQAOCRTJIBIZ-XXBNENTESA-N 448.560 0.693 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838349325 IYMSQAAPHYXATC-HRAATJIYSA-N 434.493 0.128 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838594913 CEBYTMBIDLHYNV-FQEVSTJZSA-N 434.880 0.418 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824984 CSONDGQCRQJSNN-CRAIPNDOSA-N 426.495 0.947 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1839173501 UPRKJUAIONNXMF-LAUBAEHRSA-N 426.510 0.359 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1839173571 ZLEUCULJLADLJN-OAQYLSRUSA-N 435.477 0.491 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1839175895 KQCPMXJMRDQYGH-GCJKJVERSA-N 448.520 0.485 30 20 ICED COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839485978 GKUFTXYDWOWPCJ-JOCHJYFZSA-N 441.488 0.931 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1839807139 NPCBENKXAZSSEZ-KRWDZBQOSA-N 426.242 0.686 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839886542 GBOHTGNKOXQOQU-LJQANCHMSA-N 431.480 0.961 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2)c1ccc(O)cc1 1840028599 DFILIJLYFYMYDH-GEQKSPFYSA-N 430.501 0.726 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840167730 JDIXZSBZHKREKH-XUZZJYLKSA-N 425.529 0.961 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216669 HRMWHTLHMBOZAP-WCNTUGILSA-N 437.493 0.666 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1)c1ccc(O)cc1 1840219936 OHWOQXXHAZCZCU-WMZHIEFXSA-N 428.485 0.935 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(O)c3)CCO2)C1 1840265346 ZDFJKBCLJJKXAV-JPYJTQIMSA-N 430.501 0.820 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840588522 GSRCVCORMYLGFF-YKSBVNFPSA-N 448.560 0.958 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)c3F)CCO2)C1 1840791985 OQHKULMYCCKDST-KSFYIVLOSA-N 434.464 0.943 30 20 ICED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1845244915 KRNRUDCIKUDGMU-UHFFFAOYSA-N 425.526 0.826 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194464 HPPWPHDPLJBWBD-QVKFZJNVSA-N 449.504 0.286 30 20 ICED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197208 GLJHYYSFLMASNC-HNNXBMFYSA-N 445.476 0.137 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CS(=O)(=O)N2CCCC2)cc1 1847309072 GOBKHAMAODHDDE-OALUTQOASA-N 430.530 0.728 30 20 ICED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1848065799 OYNGLSOAWZAWND-KKUMJFAQSA-N 440.566 0.876 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 31401049 QBSFWANTQBLSCB-UHFFFAOYSA-N 436.241 0.659 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccccc2Br)C1=O 430174835 GHJNOYQFPQAZJE-GFCCVEGCSA-N 438.278 0.693 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 430406511 GYIYIMISMFKVKU-MAUKXSAKSA-N 445.545 0.498 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccn1 440375289 NTBGHKNKLSMTIL-UHFFFAOYSA-N 431.477 0.817 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 443025075 JMECWKGHMQDHGM-DJJJIMSYSA-N 446.510 0.629 30 20 ICED CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460749953 UITCZALXCFAFSS-LSDHHAIUSA-N 447.569 0.921 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465492658 NMRBDSSXLIKZDL-CQSZACIVSA-N 435.531 0.960 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 506626792 MHKXVQVUQPVQMM-ZDUSSCGKSA-N 443.485 0.340 30 20 ICED N#CCNC(=O)CNC(=O)N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O 511917347 UNJRUKKFRSWXMR-INIZCTEOSA-N 437.431 0.972 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 512750690 SXYDRYDFHBTSDK-XLIONFOSSA-N 447.605 0.694 30 20 ICED Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2ccccc21 521068478 APAGONVEEWNDTA-UHFFFAOYSA-N 437.481 0.952 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1cnn(CC)c1 522389839 RDXMOSNCSUBYBK-UHFFFAOYSA-N 449.492 0.649 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O 524281029 BWWBROZVOBTZDZ-UHFFFAOYSA-N 439.584 0.639 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 524890343 AKKSMANHGJJFLP-HZPDHXFCSA-N 442.563 0.527 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n(CCC#N)n1 532596407 BHNSPFPEXXVGFO-AEFFLSMTSA-N 443.552 0.883 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035448 YUGZQBCHGRVMHO-UGSOOPFHSA-N 425.511 0.128 30 20 ICED Cc1cc(NC(=O)C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)n(CCC#N)n1 539190130 WMLQBWHOPUAVTB-UHFFFAOYSA-N 434.478 0.610 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 546767769 VSMPKTGDJHDJAZ-UHFFFAOYSA-N 448.467 0.988 30 20 ICED COc1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC 550129126 UANNNMMQFDINRO-UHFFFAOYSA-N 439.472 0.944 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@@H](C)O)cc1 553241270 VUXTYFLCWXVUNL-SYNHAJSKSA-N 444.513 0.969 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)CC1 566384674 WRAJDWQXZMVLKB-UHFFFAOYSA-N 448.531 0.065 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 579238320 ZIYAPDQYYXNZML-INIZCTEOSA-N 426.525 0.318 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 580369766 CZKACPKBCSMKJY-LJQANCHMSA-N 447.499 0.699 30 20 ICED CN(C)C[C@@](C)(C#N)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 580506067 PZAGRBDTXIUFKP-HXUWFJFHSA-N 449.533 0.729 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)CC2)c1C#N 582931089 HICPRHSPIOOJHQ-MGPUTAFESA-N 432.550 0.420 30 20 ICED CC[C@H](O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 583517638 GJFOIUZDCQAHDB-ROUUACIJSA-N 431.512 0.697 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 603552693 MFUFEGGBDIGMAQ-UHFFFAOYSA-N 437.525 0.728 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCO2 609764886 BOMBIEQKTOGFMB-UHFFFAOYSA-N 438.490 0.866 30 20 ICED C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610424014 QSLGRFCKNBGNIK-PAZMTAOXSA-N 439.472 0.623 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1ccsc1 616257987 CKCXHJRRHXDZFV-UHFFFAOYSA-N 445.547 0.613 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538566 KWQKBBGZIUVATN-UHFFFAOYSA-N 449.488 0.928 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC2(c3ccccc3)CCOCC2)C1=O 726042307 HTUDCJSNSLRIIA-UHFFFAOYSA-N 443.456 0.371 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 729372315 UOLSNRUMOKHZNH-QGZVFWFLSA-N 434.949 0.749 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O 729673478 RKEGYFWEQMKUSP-UHFFFAOYSA-N 445.566 0.377 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 731863572 ZTYOYQYUPHFPDG-LZICOFPGSA-N 448.501 0.400 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC)c2)c1=O 732561045 DXTZZMIEVHKSIR-UHFFFAOYSA-N 429.546 0.678 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCOC)c2=O)cn1 732561225 JFQOKFYVOMDXBM-UHFFFAOYSA-N 427.486 0.185 30 20 ICED C[C@@H]1CN(C(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 733830372 IPVXPQKTJZEQBM-CKEIUWERSA-N 428.445 0.942 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742537834 QDAQKRYWCZWGGO-OAHLLOKOSA-N 449.577 0.611 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)c2cccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742549364 YMQRHGZJMNCGEA-HNNXBMFYSA-N 443.529 0.827 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 743890010 XHSQRASADGAOMH-UHFFFAOYSA-N 437.435 0.802 30 20 ICED CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749745248 SNXCDFNLTIPFRM-TYLFSVGHSA-N 442.563 0.667 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)c1 750706395 ZNSKWOAFZWYQOW-QJOMJCCJSA-N 430.490 0.746 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 757290353 DSIVADIEFCDKBY-OAHLLOKOSA-N 449.471 0.976 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccccn2)c1=O 758070874 ILVFQFBFDUPXIV-UHFFFAOYSA-N 432.427 0.994 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 758764443 WFUULFJTWOVJDL-IRXDYDNUSA-N 434.541 0.695 30 20 ICED CN(C)S(=O)(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 769642202 ULAMVTQBWXPHAL-UHFFFAOYSA-N 437.499 0.830 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)(C)CN(C)C)c2=O)cn1 772320059 ZJEQFPMSCMPZNT-UHFFFAOYSA-N 440.573 0.576 30 20 ICED N#Cc1ccc(CC(=O)NCCS(=O)(=O)CCNC(=O)Cc2ccc(C#N)cc2)cc1 773490753 WIJXSHZFVOUDNI-UHFFFAOYSA-N 438.509 0.862 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782335410 KCQFCRWTURSXHM-UNEWFSDZSA-N 441.481 0.501 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)[nH]1 786092264 NMDISFQTFNVZPX-UHFFFAOYSA-N 438.412 0.854 30 20 ICED C[C@H](OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)NC1(C#N)CCC1 787725250 UOEXKSKMCBFUDF-SWLSCSKDSA-N 426.429 0.411 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C1=O 790354062 LZEJOPIQTIRJGD-LPHOPBHVSA-N 433.490 0.470 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 799285473 GMLTZGWNGJMEJI-SFHVURJKSA-N 426.473 0.329 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 804095532 IDZGYYNGXVHJOI-MSOLQXFVSA-N 432.908 0.402 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)nc1 808219921 UCOKRIIVUJOYMO-HXUWFJFHSA-N 446.511 0.909 30 20 ICED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 810783270 KWZGFOVHYOEVLB-CYBMUJFWSA-N 429.476 0.465 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 815861186 VJFUJUNVIVBXHH-UHFFFAOYSA-N 430.505 0.950 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOC 838165694 MPHSVGJODKWRKJ-UHFFFAOYSA-N 431.514 0.603 30 20 ICED CC[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1130233578 YSVSNKKWEMJINS-MRXNPFEDSA-N 436.534 0.918 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1183416110 WNMRPPQDSXFQAD-UHFFFAOYSA-N 435.550 0.286 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1296330394 SWOANPCZPCXNEM-KRWDZBQOSA-N 445.549 0.813 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1315055104 XCNAQGWNNBFCQM-UHFFFAOYSA-N 431.522 0.713 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1316102583 XLLASAMWTVHOEZ-DAYGRLMNSA-N 427.527 0.087 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1316337235 QWXFALIQGROTPL-KXBFYZLASA-N 449.558 0.945 30 20 ICED C[S@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316367040 RBWLJVZMZOGYAH-YBKRRLQSSA-N 434.547 0.909 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1335697849 NOFFYZXKDYZQBR-ZDUSSCGKSA-N 431.489 0.898 30 20 ICED Cc1ccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCOCC2)cc1 1468142817 JSXWLRFTQKOWHP-SFHVURJKSA-N 426.477 0.502 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)CCO1 1475371023 LIWYANLDKHHLNL-IUODEOHRSA-N 436.303 0.798 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1510198388 NDSJJZHENRUZEG-MJSCVDMRSA-N 426.543 0.558 30 20 ICED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1587262994 VTALRUNTKGEEDE-UHFFFAOYSA-N 438.488 0.610 30 20 ICED CN1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618467922 XQTFCJJGKGREAF-WIYYLYMNSA-N 444.561 0.755 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](C#N)C3)CC2)cc1OC 1644439878 QPWGUIPPJMGAFO-INIZCTEOSA-N 436.534 0.772 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1710906956 SGGPGDLJEXBFGN-MUUNZHRXSA-N 436.563 0.667 30 20 ICED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1751238643 ULLPRQGKFPUUCE-ULQDDVLXSA-N 439.586 0.737 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1767485417 VSQMKSIQSFYVCU-UTKZUKDTSA-N 434.541 0.770 30 20 ICED CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1768015058 QZXWIJSOWKZCGN-ZBFHGGJFSA-N 434.522 0.959 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785347 URMVQGNVNLXSDV-KKSFZXQISA-N 443.508 0.986 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NC1CC1 1779064782 HRCBQEOSCMRSJP-FUMRIQNTSA-N 429.517 0.350 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1779064985 LRRYDWAOEUKATG-FIXDAVPBSA-N 429.561 0.855 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780364121 IPLCPLVGWRGDIN-KRWDZBQOSA-N 445.398 0.776 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780596976 IGLJMQIOFBPSRA-UGKGYDQZSA-N 443.456 0.497 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(C#N)c1 1781177264 VMLZXERARSFMTJ-ZHRRBRCNSA-N 438.488 0.792 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)ccc1F 1781300523 XJFACPHVHURKEV-ZHRRBRCNSA-N 428.464 0.596 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1782055304 SAEIHSJFVGBYMH-HSZRJFAPSA-N 436.468 0.625 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1783530697 SUEQZBOGKIUCPV-CFYNWHJUSA-N 440.500 0.237 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCCC(=O)Nc1ccccc1)CCO2 1783557668 JGKRFZBITAVCDL-JOCHJYFZSA-N 427.457 0.713 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(S(C)(=O)=O)c3)[C@H]2C1 1783746358 CQQOIEMLESSQQI-LQJIQPLVSA-N 448.541 0.722 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1)n1cnnn1 1783917661 SWUMGSIHRKINTE-KNTRFNDTSA-N 437.504 0.718 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)C2)C1 1785518302 XAOKIUMJJPLACQ-KKSFZXQISA-N 439.509 0.849 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785574064 NGNOZMJOSYKSQY-LUKYLMHMSA-N 432.521 0.965 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn[nH]c3)CCO2)C1 1785574579 NMVZOZYYWGFVLV-IERDGZPVSA-N 431.493 0.770 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc2n(n1)CCCO2 1788350702 GLRULCQUKIYZFO-IOGVMZDASA-N 444.536 0.731 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788572941 UOFNTDBTCIOJEM-QAETUUGQSA-N 427.505 0.896 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)n1ccnn1 1788637283 MIZXULGHDRXEHB-XWSJACJDSA-N 429.521 0.517 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1789954691 APBLATKELWGZDH-OQUILHJVSA-N 433.465 0.569 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(C)(C)C)cn1)C2 1792489417 VYCKWFARWPTORB-IBRLJDPESA-N 441.532 0.836 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)c1 1792697646 UVJCBNGTXODENH-ALXJQNPVSA-N 431.514 0.987 30 20 ICED COc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)n[nH]2)cc1 1796497580 MUKRVKCQRBBHLX-USGNIVHTSA-N 438.440 0.377 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797902919 BHJPTIUJYJNXQK-AMVTXUCVSA-N 426.452 0.828 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)cc1 1799641144 OYOWABFENAUKJZ-VTYHHJSWSA-N 447.495 0.781 30 20 ICED Cn1c(=O)c2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CC#N)C4)csc2n(C)c1=O 1799832254 ZSSXCBCKSOZUHG-BTTYYORXSA-N 429.502 0.393 30 20 ICED 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]1C[C@H](O)CN1 1799924210 UHQWFOZDROSDPW-COZGXFGHSA-N 434.537 0.264 30 20 ICED C[C@H]1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN1C(=O)OC(C)(C)C 1800778599 JCDXHGPCOWTVLW-NAHJCDBISA-N 449.504 0.310 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)c(C#N)c1 1801021319 ZAJDMROVWGJONH-VPTLXERWSA-N 447.513 0.517 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c(Cl)c1 1801068973 AWOLHGAPMHEIPM-BKEDOTJMSA-N 430.892 0.941 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187045 LBOYTXQPYNGKHE-TXPKVOOTSA-N 443.504 0.212 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334780 VVDZNSYTVNCHCG-GJLBMKCESA-N 436.559 0.343 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1804376348 JPELBSXITDPQNN-FZKCQIBNSA-N 443.504 0.938 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1808199292 SGFLYTBOLYDDLW-RYRKJORJSA-N 431.493 0.887 30 20 ICED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)n1cnnn1 1813471206 ROHYGJFYDWIBCW-PUTBAROASA-N 439.524 0.807 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815682214 RANXBPBJZVTHAD-ZDUSSCGKSA-N 429.506 0.440 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819556231 BHIDQFAJXRWSML-GWCFXTLKSA-N 433.538 0.961 30 20 ICED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1826420714 ORJDNHGGJALJHE-LLVKDONJSA-N 440.489 0.689 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829266255 RLAOWVWLBMERGF-VGOFRKELSA-N 426.473 0.206 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830954078 SDPFMAWNNAELNZ-QFIPXVFZSA-N 448.520 0.237 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1831396924 SYMNZYAVXWTQCO-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831435337 PUQFDXPCMDVJTB-AOMKIAJQSA-N 432.521 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3CC)CC2)CC1 1833075965 ISOVPUNYRGHFHH-WAYWQWQTSA-N 442.564 0.947 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cc1O 1833410066 ULASGYGUEGWROH-QFIPXVFZSA-N 439.472 0.576 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833482013 XQDYHOAFAZMBAV-HNNXBMFYSA-N 426.583 0.788 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784545 PKGKMZKYMLVLLN-MRXNPFEDSA-N 448.524 0.954 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605373 RTBQYPFBCZSEGK-UKKLRFBMSA-N 432.477 0.182 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834654253 NPTRTJBCZBCSEN-INIZCTEOSA-N 425.599 0.758 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1834760792 QZYKQXJHBFJYDO-OAHLLOKOSA-N 429.296 0.889 30 20 ICED O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835919941 KTOYWMULKOWXJY-UHFFFAOYSA-N 425.489 0.773 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1836856155 SKUJUSBMLCBLTM-IAGOWNOFSA-N 442.578 0.704 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1837403140 OETOYLFMRMHZTP-SFYKDHMMSA-N 437.581 0.889 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837428947 NSEXFZVTONTXML-OAQYLSRUSA-N 447.612 0.786 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443842 LBGUEMGHSJJPLL-BZLIYVJTSA-N 430.509 0.327 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838906021 MDBJHIYHTUZYRV-LJQANCHMSA-N 437.399 0.738 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578471 DXSBTPKXHQHNHR-FQEVSTJZSA-N 432.502 0.772 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839866278 RSXUHANBWPPXNL-AOMKIAJQSA-N 428.489 0.649 30 20 ICED COc1c(Cl)cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045146 SWRXTBYPDDZTSE-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1840479528 ZVWOSDYKGJNWEG-IERDGZPVSA-N 439.476 0.070 30 20 ICED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840524287 VRCBLDJIAFYNOB-QHCPKHFHSA-N 445.516 0.992 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840855076 VITYARYZTCDHRW-DJPFJPOOSA-N 440.541 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1841598601 RBVXTFCKLWRAEV-RDJZCZTQSA-N 433.505 0.807 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1842919367 ZTJXTQKRDMKTNA-CQSZACIVSA-N 442.520 0.478 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)c1ccc(O)cc1 1844298015 SMULYIDZDRPBMQ-SIKLNZKXSA-N 441.528 0.743 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)COCCOCCOCc2ccccc2)C1 1846258561 ONUGLWGCQUTURP-UHFFFAOYSA-N 444.484 0.528 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 410418426 CTPQBPYLCTWJFY-UONOGXRCSA-N 429.296 0.613 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 439354981 ITDCUAVTTIRMOO-UHFFFAOYSA-N 449.876 0.813 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 461741038 OLSVPAQDGFOMQK-UHFFFAOYSA-N 441.473 1.049 30 20 ICED CN(CC(=O)NCc1cnc(N2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1 462574328 QKTOEMPOLYYQQC-UHFFFAOYSA-N 447.492 0.866 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472878226 GCNNRMGDKFNZSJ-UHFFFAOYSA-N 439.476 0.256 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)CC2)c1C#N 472892211 GFKDHWADWSAYIN-UHFFFAOYSA-N 447.503 0.722 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 478864165 ZEGBFHYSUHKQCE-HZPDHXFCSA-N 442.541 0.832 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccon1 480958761 WTWFTDQCWLEHIC-HNNXBMFYSA-N 438.509 0.909 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 491051010 NRRLHKFLPWGNRQ-UHFFFAOYSA-N 433.534 0.538 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508945755 NWXNQONRRLMHQC-UHFFFAOYSA-N 446.537 0.966 30 20 ICED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510344321 TZYJCBTVVATIMT-WMLDXEAASA-N 442.563 0.355 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 523255797 HNVXDPXWPIUGMT-UHFFFAOYSA-N 433.493 0.421 30 20 ICED C=CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@@H](C)c1cccc(-n2cnnn2)c1 525197161 PDRZICSPSPCKAG-PZTNVXNFSA-N 436.472 0.900 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 537068293 XQQKCJFEEORTND-AWEZNQCLSA-N 425.507 0.719 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C1CC1 542010916 HPUKTJVWUWVNKH-UHFFFAOYSA-N 441.509 0.826 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(S(=O)(=O)NCCOC)cc3)no2)C1=O 546406817 GAPWXWBHEIWFJQ-UHFFFAOYSA-N 449.445 0.138 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 550696235 GGUMSHLHBXKEKK-QZTJIDSGSA-N 444.532 0.966 30 20 ICED Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)o1 552993550 GGSPUPUMRFTNAJ-SFHVURJKSA-N 432.502 0.928 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)C2=O)cc1 554694616 NSWYPHHXLGOLFK-WOJBJXKFSA-N 433.468 0.850 30 20 ICED Cc1nsc(N2CCN([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 554953279 ZCEOSYFUTWWDFD-INIZCTEOSA-N 426.550 0.973 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 561121196 LKBGXJIWKSOOMC-OAQYLSRUSA-N 427.549 0.820 30 20 ICED Cc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(O[C@@H]2CCOC2)c1 568614334 GQPBUKVFTQALJW-MRXNPFEDSA-N 440.504 1.047 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 573280752 RNDMYTJNSONDAL-QGZVFWFLSA-N 434.500 0.882 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 573868057 YYNDSXHPNPCSSQ-INIZCTEOSA-N 436.534 0.634 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)CC2)c1 582440435 QKTGVMAJFHGXQX-LJQANCHMSA-N 438.532 0.899 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)CC2)c1 583344259 FDAFYJSGGXRBSW-UXHICEINSA-N 440.548 0.486 30 20 ICED CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586859172 UWIZZSBBIABRJF-UHFFFAOYSA-N 429.496 0.716 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 589414809 BCNSROJXJUSGFM-OAHLLOKOSA-N 427.486 0.331 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 603793619 RREXYCOUSARZHJ-UHFFFAOYSA-N 441.509 0.903 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 609671508 BMURDHADWDWAOE-GOSISDBHSA-N 440.485 0.673 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CC3CCCCC3)CC2)c1=O 725776513 CXQOBJMBHVZVTO-UHFFFAOYSA-N 431.537 0.616 30 20 ICED C[C@H](OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)N(C)CCC#N 729250363 OGGVFKYRBDORGK-XUJVJEKNSA-N 431.898 0.671 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 729281465 BUGDCRKXPYDHBW-UHFFFAOYSA-N 446.573 0.805 30 20 ICED CN(C(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)C1CCCCC1 732466309 MIESMLLHTJDLCG-QZQOTICOSA-N 446.552 0.631 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CCN(C)CC1 732798526 ZQMGYROTJLWMGE-UHFFFAOYSA-N 440.573 0.759 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 733149058 WUZXEUOVABNNFS-UHFFFAOYSA-N 428.514 0.779 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(CO)o2)CC1 745381589 SKXKMHMCSQMDNW-UHFFFAOYSA-N 433.442 0.333 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745385997 BKMLWAGUASCHAZ-IATAILRESA-N 442.472 0.903 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 746354147 RBKPDBLHHRTLQC-UHFFFAOYSA-N 430.490 0.836 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c1 749502710 VUKMWKZRPWLOSY-IBGZPJMESA-N 447.557 0.921 30 20 ICED Cc1ccc(CC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 751218053 CNMWGBHYJTWKKN-UHFFFAOYSA-N 440.525 0.947 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 753891368 KFRLJPSEDMJINO-GOSISDBHSA-N 434.500 0.834 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 757291672 KBNJUQPCEGMBCO-QGZVFWFLSA-N 448.531 0.776 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758078819 BJZIMPZQGZBOGD-CYBMUJFWSA-N 426.454 0.105 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2Cl)c1=O 758079981 YKFDSBQAWJPSGX-LBPRGKRZSA-N 433.892 0.990 30 20 ICED Cc1ccc(N(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)[C@H]2C=CS(=O)(=O)C2)cc1C 762475177 JLRJLTWKHVRLDA-KRWDZBQOSA-N 428.470 0.379 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 763457800 HQRPVLNGWFCIIN-UHFFFAOYSA-N 435.571 0.801 30 20 ICED COC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769839419 CFEIJFVAXHYYSZ-UHFFFAOYSA-N 431.426 0.805 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OCc2cccnc2)c(=O)n(C)c1=O 771898130 URHVCYUATZRJIG-UHFFFAOYSA-N 429.458 0.370 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCCOCC)c2=O)cn1 772276970 LITGIMHDPMAWNL-UHFFFAOYSA-N 429.546 0.909 30 20 ICED COc1ccc(Cn2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)cc1OC 778641966 ZHGKATUCBAYCDG-INIZCTEOSA-N 446.485 0.528 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 783920835 PDZOQRCZLVBYTL-UHFFFAOYSA-N 435.550 0.520 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 785261060 BSBDVKFKMUKOJP-AWEZNQCLSA-N 445.505 0.644 30 20 ICED C=CC[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccncc1 787183627 KKSMGHIFCWOIHG-LJQANCHMSA-N 435.484 0.703 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 788272205 QRQSDVZEGOELAC-ZDUSSCGKSA-N 433.513 0.770 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646361 HHLUYZQEGJZAIQ-UHFFFAOYSA-N 435.484 0.895 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 803862055 ROJUXNKGPBCXOU-INIZCTEOSA-N 430.442 0.466 30 20 ICED N#CC(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 814250388 OXQCTCFQKFRWGW-UHFFFAOYSA-N 426.408 0.486 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 916716572 YEFBIHVJTKJKMK-KNTRCKAVSA-N 443.551 0.609 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)NC2CC2)cc1 918267227 VJCIOKCOPDSALF-ULJHMMPZSA-N 449.533 0.613 30 20 ICED Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(C)(=O)=O)CC2 1298903395 OMZTWQNYSWUWPW-UHFFFAOYSA-N 439.501 0.518 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314120505 KKDLFFWZEFLEMF-SFTDATJTSA-N 432.525 0.919 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1320135076 JXKMMPAUGDTUKD-CVEARBPZSA-N 433.490 0.303 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1513979360 KXRNUXKWVCJJLF-QGZVFWFLSA-N 446.533 0.878 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1547600749 MVCDSDGFWOOYFG-UHFFFAOYSA-N 446.533 0.546 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1708279177 LUIMIFIFFCCJDI-RXYZOABWSA-N 440.504 0.970 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(CS(C)(=O)=O)CC1 1741905572 SZSCJYZPPFYUHX-CHWSQXEVSA-N 432.572 0.451 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1761483468 YWTNIVRAZBIKGP-HEHGZKQESA-N 448.546 0.298 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1767862229 QESXVZSFXNRUEI-QGZVFWFLSA-N 426.449 0.987 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777826053 PZKMTEPZIOYCKF-QFIPXVFZSA-N 431.456 0.682 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444922 DONISJOHWLHAII-DRDNUIKESA-N 442.476 0.702 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c(O)n1 1778937983 LFWAAOKASZNSHY-OAQYLSRUSA-N 427.461 0.225 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779055887 BGGXGXKBABPQDH-KFPCXCPGSA-N 426.477 0.819 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1779123529 PTPKDMJUQFSLSO-LWOHLBADSA-N 443.460 0.255 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779201337 WLQFCSLMBMWYMP-ATUDVECKSA-N 441.525 0.138 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nc4ncccn4n2)C3)c1 1780179760 PYSIZNKGTLJNKT-IIBYNOLFSA-N 434.460 0.765 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780243309 KJZIEYRKCDXHOC-NRFANRHFSA-N 426.860 0.919 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)c1 1781055946 DPUNOUFCWRNSSB-JKSBSHDWSA-N 425.489 0.731 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781861422 RPVOOZWZNLRGKB-MGPUTAFESA-N 433.465 0.173 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1782873981 CDFPHNLENZXUGE-DQEYMECFSA-N 448.523 0.863 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783053243 QVMKEWBTWQJLSL-QVKFZJNVSA-N 437.493 0.296 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccc(O)cc1 1784013461 DOSAUTSROPADGR-HTAPYJJXSA-N 427.505 0.202 30 20 ICED C=CCO[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 1784502922 KPZHZRBOXJDGJN-LGFJLYTPSA-N 438.550 0.360 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1785378420 BGPAHPRYPDIWAX-QHCPKHFHSA-N 436.468 0.629 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1788572569 ACHFTVJMXWCJNI-MUGJNUQGSA-N 436.597 0.177 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793572 PYDOJMZDMUPFJX-XSLAGTTESA-N 447.532 0.625 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)c1 1792832117 PILYRRVZNCLAMF-KALPFLKPSA-N 436.512 0.915 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2ccnn2)C3)c(O)n1 1794490406 HXSPCMLWRYDKBQ-GGXPGOJBSA-N 440.504 0.962 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncnn1C 1794916178 GQZIBJZIHUPONK-FZKCQIBNSA-N 430.509 0.984 30 20 ICED NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)c1ccccc1 1797811161 JHPCCZYPCZPRCM-SPMWLCCRSA-N 444.532 0.848 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800761001 IZWWRFHFTRIGLX-QXHKPEDBSA-N 437.496 0.524 30 20 ICED 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)C1CN(C)C1 1801561753 SYUIELHUOWKREE-GIFQPEHOSA-N 448.564 0.607 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802914870 QVFUVDNDHWLMIP-ULQDDVLXSA-N 448.520 0.868 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810326656 GSDIBHLRRVMYEB-YLJYHZDGSA-N 426.521 0.269 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810390600 SMFZGLIOFVWUEC-RCMSRTDESA-N 437.504 0.639 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1812879580 BTSPMLDLXNXHLN-BLLLJJGKSA-N 427.335 0.281 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1814103846 YGODDENDGNNYET-MGPUTAFESA-N 441.513 0.966 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2)C(=O)O 1815076272 IGUKTSYRQBTNGW-AAEUAGOBSA-N 436.538 0.400 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831149567 BWLBNMXKDDXFBC-HSZRJFAPSA-N 427.501 0.628 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1831402676 OPOUYZACSFLLPJ-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1832454159 DEOWEQXKKRSCBL-LJQANCHMSA-N 436.490 0.164 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1832511335 ZUVYLBGCIMAFDT-HSZRJFAPSA-N 426.469 0.262 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143590 SFYRNVRZEGWMET-UHFFFAOYSA-N 425.599 0.748 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cc1O 1833410063 ULASGYGUEGWROH-JOCHJYFZSA-N 439.472 0.576 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)CC1 1833428161 UCNWMKFMFBEILZ-UHFFFAOYSA-N 443.592 0.136 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834130045 CTWXMFVNYGQVGT-OAQYLSRUSA-N 425.445 0.674 30 20 ICED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834619997 VWVOOSZDPWUGCM-UHFFFAOYSA-N 438.572 0.942 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098247 DIAGKHKTYPYOGL-DHLKQENFSA-N 448.523 0.460 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102429 RTILAWVVRLFZBI-XZOQPEGZSA-N 444.484 0.110 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341116 PBOHCRMNMFCBAH-HYBUGGRVSA-N 438.528 0.803 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835415596 XZVNTEXQFZWIOP-LJBSOROUSA-N 435.521 0.118 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn4cccnc34)CC2)CC1 1835534396 UCAMFPLISVFTQC-KRWDZBQOSA-N 438.532 0.953 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1835673026 RPTHPGCSVBFUAG-IBGZPJMESA-N 439.900 0.680 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(-c3ccccc3F)n1)CCO2 1836344999 KYXNUXWDJURWGB-JOCHJYFZSA-N 442.447 0.723 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297271 RHMPKBDOZXFPRR-DHIUTWEWSA-N 441.484 0.981 30 20 ICED Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837370509 IHQXDDVOWFMBLJ-HZHRSRAPSA-N 431.541 0.899 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1837396788 KKVMQGSCBBVTOT-FHJLPGHOSA-N 447.532 0.891 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837397362 VSAJEYATWPPBHY-VGSWGCGISA-N 443.504 0.601 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1837397812 VUGJCEPVCHEWRM-XMSQKQJNSA-N 434.537 0.855 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837403610 OWBKSAMSTZLKOA-AVRDEDQJSA-N 432.521 0.472 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837489835 WALRHMRPGNLVET-XMMPIXPASA-N 447.576 0.627 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837524372 GRPGZQDBWVRVOJ-XTSMJKTBSA-N 434.493 0.624 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2)C(=O)O 1837533206 LEVFUOWJODIXSQ-HRRBLDAOSA-N 439.465 0.003 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561639 ZBHVANKDRPWDPO-PFDQHCLKSA-N 443.460 0.267 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837562744 OWODQJAVTIJIKV-YUTJSNEMSA-N 449.895 0.705 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838275576 DOJQJAJVBQSTNO-AVRDEDQJSA-N 434.537 0.626 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186904 WROLAANOCQRTIM-QFIPXVFZSA-N 441.463 0.744 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1839362819 QMQZPDTXPUIOMY-QFIPXVFZSA-N 440.456 0.617 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839699762 TZSHHUOQXDHUPN-DKXUYOFUSA-N 436.530 0.827 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839842778 GHIBITSSJNIFGJ-OYHNWAKOSA-N 443.504 0.613 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1840157158 GPHGLTHAHJOXRX-KLHJMIIUSA-N 433.530 0.954 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2)c1cccs1 1840535728 YTCCOKRAVNSOEY-DMDWLKPBSA-N 434.514 0.980 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1840932465 DADSFZWTWOAZMZ-HSZRJFAPSA-N 426.469 0.336 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CNC(=O)C(F)(F)F)C3)c2c1 1846399961 GSONCPLBSSKIDC-UHFFFAOYSA-N 434.378 0.930 30 20 ICED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1=O 11460975 PPFLFNDZKAADSP-UHFFFAOYSA-N 445.501 0.622 30 20 ICED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 57937561 ACPXZARNVWVGJY-UHFFFAOYSA-N 436.534 0.939 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1 110351781 URCKHVSFIUVCQG-UHFFFAOYSA-N 449.529 0.472 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCO1 410136024 UATXENYYRKRVLQ-KBPBESRZSA-N 434.396 0.749 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 410204204 CVNUNNAGEJWBMK-JZJQHEAOSA-N 431.518 0.759 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 428681203 FQLIXIIGUVNAPV-DGCLKSJQSA-N 432.424 0.752 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(-c2ccc(F)cc2)c1C 428756426 DOFPBIWPUMNQJQ-KRWDZBQOSA-N 438.463 0.686 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncc(Br)c(OC)n2)CC1 430909172 ZCXUSPGWAHCKKU-LLVKDONJSA-N 427.303 0.770 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 465421513 GZKFZGBMBKPAKJ-INIZCTEOSA-N 437.504 0.964 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 478739566 QOGHIGXJNFNXSI-STQMWFEESA-N 436.515 0.750 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 488616037 BNDJOBVGJYVTLP-QGZVFWFLSA-N 444.455 0.698 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)n2)cc1 490840730 YQOWPOMKYSAAMI-GOSISDBHSA-N 435.488 0.901 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 491171634 LMUUGNMJLSCCMU-UHFFFAOYSA-N 439.310 0.843 30 20 ICED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](O)C(F)(F)F 494252707 AEBVLMXGHYOFSW-INIZCTEOSA-N 448.467 0.636 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)NCCF)nnc12 504505538 AJTNOOQSHUVPMX-LBPRGKRZSA-N 432.481 0.913 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 506683343 QUICHUMYBGAITQ-MRXNPFEDSA-N 437.522 0.815 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 508228316 ZMGBYZYJLPBDTH-OAHLLOKOSA-N 438.506 0.452 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(Cc2ccon2)c1=O 512721558 WGEOYYNDGGABSL-UHFFFAOYSA-N 447.480 0.699 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 515625429 PXXMHMSODDHIIA-UHFFFAOYSA-N 441.509 0.672 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 532506806 IQQUTFFTSPFVDK-MJGOQNOKSA-N 433.578 0.852 30 20 ICED COC(=O)CN(CC(=O)OC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533047627 QRMHHQATQAWNFF-UHFFFAOYSA-N 445.432 0.103 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)cc1 559761832 IAFJAHAXOGHJMI-UHFFFAOYSA-N 434.500 0.534 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 561237106 AXIBDPZFTDVDOD-PTAUBWNISA-N 433.490 0.204 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)C1=O 563238904 FOPIXUZOAQPFRN-WOJBJXKFSA-N 428.533 0.730 30 20 ICED CCOc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 580229872 QMPIDPMGEOXAMJ-UHFFFAOYSA-N 449.493 0.391 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1C#N 583719457 NDBSTTWJPITLOQ-KBAYOESNSA-N 426.521 0.713 30 20 ICED N#Cc1c(CCCNC(=O)CCCN2C(=O)CNC2=O)nn(-c2ccc(F)cc2)c1N 603626323 UBINUTNSEOAHNS-UHFFFAOYSA-N 427.440 0.846 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 608868472 XJXVFGVCYVLIHE-UHFFFAOYSA-N 435.550 0.423 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)c(O)nc1=O 609486232 GIZSTSAEBIXTBD-INIZCTEOSA-N 433.557 0.850 30 20 ICED N#CCc1ccc(OC[C@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610007855 LPLKDGVSTMMMHS-HXUWFJFHSA-N 438.532 0.941 30 20 ICED Cc1nc(=NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n(-c2ccc(C#N)cc2)[nH]1 610231891 IAMNXJPYYXLQDH-UHFFFAOYSA-N 441.451 0.880 30 20 ICED C=CCn1c(Cc2noc(-c3c(C)oc(C)c3S(N)(=O)=O)n2)nnc1N1CCOCC1 685260332 BZCWDAULUPBGDR-UHFFFAOYSA-N 449.493 0.799 30 20 ICED Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccc(C#N)cc1 728373661 XYLJEQKWMTXBDI-UHFFFAOYSA-N 435.440 0.985 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 730683652 IPUXXZWFPUAFER-HKOYGPOVSA-N 446.533 0.542 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730722059 DAFAECPDFPUOTN-WUXPNXBRSA-N 427.490 0.489 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CC)c2)c1=O 732563312 UNNVPNZZPKMKNF-UHFFFAOYSA-N 429.546 0.725 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 733150178 DPRXQEGYWGKEKM-GOSISDBHSA-N 440.500 0.094 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(I)ccc2O)CC1 733365059 XEFZUIZIZNRQCK-UHFFFAOYSA-N 441.269 0.894 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 743932302 LEIBTRPOVXDBGJ-UHFFFAOYSA-N 432.458 0.861 30 20 ICED Cc1c(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnn1C 745161290 BFVOZLYFSVDIAS-UHFFFAOYSA-N 425.405 0.749 30 20 ICED O=C(O)CNC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 746347593 MEGQRSPNZCWXKQ-UHFFFAOYSA-N 430.442 0.568 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(N)cc(S(C)(=O)=O)c3)CC2)o1 747727916 ODBLXMARZXILJT-UHFFFAOYSA-N 447.473 0.346 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)[C@H](C#N)C1 755552313 MZZMOGNFZURNEP-IUODEOHRSA-N 436.490 0.904 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758588424 GGEBLNHKKMMOEN-UHFFFAOYSA-N 425.514 0.118 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766051246 GFTFMOQSSISCEL-UHFFFAOYSA-N 441.425 0.389 30 20 ICED CN(C)S(=O)(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 769217328 XYWVIZHLMOOFMH-UHFFFAOYSA-N 437.499 0.830 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCSC)c2=O)cn1 772311055 JTTOEQHHQDFJEN-UHFFFAOYSA-N 433.559 0.226 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)cc1 778810765 OVNHGTJIMSLMJJ-BHFHOQOQSA-N 444.517 0.766 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)c1cc[nH]n1 789954722 NPYCKOJUUAQQRF-INIZCTEOSA-N 448.524 0.239 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 789958813 DZVUYMNMNGYYOG-WATITHJCSA-N 442.563 0.557 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCn2cc(C(=O)OC)nn2)C1=O 790017047 XQXUMGMSOPLMJJ-BIDVBJRCSA-N 445.505 0.139 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2snc(C)c2C#N)CC1)c1cc[nH]n1 793445367 VTFQLHKWMLTNPG-UHFFFAOYSA-N 431.478 0.679 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1=O 799177920 YMBOLIIBYUPCQG-HTAPYJJXSA-N 427.505 0.680 30 20 ICED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800773765 LLNNJDZIUWUTRT-OAHLLOKOSA-N 429.568 0.056 30 20 ICED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808028825 GXBKOBAPUMDYTB-HOTGVXAUSA-N 428.493 0.585 30 20 ICED Cn1cc(S(=O)(=O)NN=C[C@H](CC2CCC2)NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 814883513 PYTLJNGJFQGNAZ-ZDUSSCGKSA-N 443.526 0.432 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 816130260 FPAZYSBXPFAOMB-LERXQTSPSA-N 434.430 0.835 30 20 ICED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 820064869 NYAVRQYFLQVARU-KRWDZBQOSA-N 435.546 0.812 30 20 ICED COC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 917171463 ZLRXHXBHQSPZNL-UHFFFAOYSA-N 428.449 0.839 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2(C(=O)OC)CCCCC2)c1 919021197 XLGQQQPXGHOSFM-UHFFFAOYSA-N 436.486 0.747 30 20 ICED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1142864963 NXFQCAAHJRVJEI-LIRRHRJNSA-N 426.498 0.925 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)cc1 1185155095 RIAMOAAQXYBZBP-UHFFFAOYSA-N 449.436 0.995 30 20 ICED COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1300184519 YZIFJDJEYZIVMI-HNNXBMFYSA-N 427.465 0.703 30 20 ICED CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1314931383 SJZLSBHRNLVQMV-NRFANRHFSA-N 432.548 0.982 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359150989 KFFPAZQYNXVSTF-CYBMUJFWSA-N 439.929 0.519 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1471538530 OYDQTXHWOFGEQN-MJGOQNOKSA-N 449.577 0.138 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 1637298742 WTTPTHNBBXPRIR-LJQANCHMSA-N 428.514 0.372 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 1664280417 MPLFPTOWFROVDA-GDBMZVCRSA-N 442.538 0.110 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1690346167 MMCQIQSTVLRWLC-KBPBESRZSA-N 435.934 0.215 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n(C)n1 1725851283 ZARMRVDCMLBYAA-WMLDXEAASA-N 447.569 0.155 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1741924130 SXLMBDNHDHRHDY-MLGOLLRUSA-N 448.546 0.155 30 20 ICED CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1768253501 ITNRYWAUPNXTNQ-MRXNPFEDSA-N 429.506 0.680 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1Cl 1780193190 ZXTMPPHOSOOYEP-NRFANRHFSA-N 441.875 0.912 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)c1 1781779444 AEKZJHOUSHPNFP-YBOAYWMSSA-N 428.464 0.961 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1783054642 IUHLRSGAWAGTKR-KRWDZBQOSA-N 436.241 0.708 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167513 SJSPFFLZAPWMBD-AXHZCLLHSA-N 439.512 0.855 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783397604 DSJMLVJQRGIRRB-BTYIYWSLSA-N 425.526 0.914 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)n1 1783567284 SQMFJPKVKSAIAF-GOSISDBHSA-N 441.362 0.641 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)ccc1F 1784039315 LMWVKJPRZRDIKP-AOMKIAJQSA-N 428.464 0.596 30 20 ICED CCC(=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 1784366304 XQAOUCDLCLJROY-WWCQJWTPSA-N 438.525 0.410 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378424 BTUUTXSUGIFCRB-KSFYIVLOSA-N 428.489 0.634 30 20 ICED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1787052834 HODQIAHWQHUTTG-JLSFHGIFSA-N 435.481 0.429 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477477 KUTYCTGAASIPFU-JYJNAYRXSA-N 445.476 0.610 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1788523142 ZSSFOEDMSVKSKW-CLWJZODNSA-N 441.532 0.988 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201461 LIXGGCXEKNXSPJ-OVWQWFNUSA-N 425.489 0.895 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)[C@H]2C1 1790688242 OSKNANBYDPCCIU-OVWQWFNUSA-N 428.489 0.235 30 20 ICED COc1ccc([C@H]2C[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791072343 DNINQTTVPOCHCS-ZDNSCYFHSA-N 426.469 0.866 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]21 1791077070 ZOGHSHDRRNSAHU-WDSOQIARSA-N 439.468 0.100 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1791135913 HCEYPNCPOLBEPE-FHWLQOOXSA-N 437.537 0.730 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1791260693 ZMXTVQGHFOSLBF-KCMWZYNZSA-N 440.587 0.931 30 20 ICED C=CCC(=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 1791276401 HSYLFMFOCIAWGW-TXTZMMAHSA-N 437.537 0.770 30 20 ICED O=C(/C=C/c1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791698116 VHLRBYKUPYFFMX-USWCGAOUSA-N 426.521 0.941 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)ccc1F 1793165533 SDAQEUJXLHRJLN-CWPLJXCYSA-N 430.436 0.282 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1793565470 DOZFAXGPRUMYDV-FZDIXFNVSA-N 433.530 0.916 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794287191 JEFURXYBZRJNSJ-GGXPGOJBSA-N 441.463 0.648 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599213 YPNUWLUFRJAPMB-CUSZFKRNSA-N 429.525 0.148 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)CC1 1798496278 ZTOJZQYNSJYRQS-CAFWBCLJSA-N 449.552 0.318 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506442 WBMFCYBJKWHXED-XRGAULLZSA-N 431.518 0.863 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239725 JDKUROZQHMKXMW-NMZZKHSVSA-N 440.500 0.390 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883262 VTSQOJSEKGAHES-FIIQBIKZSA-N 438.488 0.552 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1801992607 OCADBRKAJQZBEA-ZSBFGKGUSA-N 437.399 0.637 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CNC(=S)NCC)CC2)C1 1804858079 IWIVIYXWXSFVJJ-SREVYHEPSA-N 435.594 0.560 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1810245614 AXCGDOVPNVHIRX-DWRORGKVSA-N 431.537 0.253 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3snnc3c2)[C@@H]1c1cccnc1 1811345873 ZZVGWPHJXWDPKN-ACJLOTCBSA-N 436.453 0.889 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)C(F)(F)F 1812675584 STNQWMUYSBREOY-CJNGLKHVSA-N 439.394 0.758 30 20 ICED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1)C(F)(F)F 1819890703 KXWRPDYSUHMZTE-BONVTDFDSA-N 434.440 0.824 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1823745457 HUTXKSMCFFDOFB-JTGQJZMRSA-N 445.520 0.016 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824500015 BEKUWZRCGOLCLT-OAQYLSRUSA-N 439.597 0.876 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828947918 CWJWOELUUQASME-IBGZPJMESA-N 428.537 0.991 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)C1 1829663991 RYKNCLOPHWFMCM-QFIPXVFZSA-N 425.489 0.854 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)CCC1 1830353179 UYWCYNDWAZBRQD-QFIPXVFZSA-N 429.473 0.921 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831336887 HNSXNUAIMWYDDS-XLIONFOSSA-N 428.551 0.646 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831392020 HXAGBHBIIWORIS-HXOBKFHXSA-N 444.484 0.566 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833270957 UBSJYEVLJLJIOX-HSZRJFAPSA-N 436.468 0.504 30 20 ICED CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833421099 RJGOKXGJGDSCCS-HNNXBMFYSA-N 428.537 0.986 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833764313 GWZWSZMOWCJCAY-GOSISDBHSA-N 431.537 0.350 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565747 LXRBDFQHJOHVKM-IBGZPJMESA-N 425.570 0.794 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1 1834714410 OWXQXJOUTFSPDE-UHFFFAOYSA-N 432.613 0.936 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835053956 HEPFJHXGXPCYPN-SJORKVTESA-N 427.615 0.959 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1835682870 WYZVMWYNJJCQRU-JOCHJYFZSA-N 444.536 0.181 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1Cl 1836210621 RILKSSYFXOGKSU-FQEVSTJZSA-N 444.879 0.573 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1836499106 UDNPVQKZZOVKBA-SNYIIPAISA-N 443.544 0.748 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837531322 JDNKXOMPIWPOIT-YIPJSWNASA-N 448.476 0.386 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1837635199 OVRQHRUZLHKZBM-UHFFFAOYSA-N 428.493 0.542 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1838580538 IMVLRWKEHWIJAZ-QFIPXVFZSA-N 439.472 0.534 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)CC1 1838719044 FTEWNZOXEHNRKX-UHFFFAOYSA-N 425.445 0.658 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132121 UHTWPOKLKCJBEX-NFBKMPQASA-N 444.532 0.564 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OCc1ccccc1)CCO2 1839185036 LNIMVJOCTDCVRD-MBSDFSHPSA-N 443.500 0.639 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4)C3)C2)c1 1839420157 RVGBUWMIMVYKPG-NRFANRHFSA-N 425.420 0.871 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1)C(F)(F)F 1839892802 HHIUHRIJSNBIDR-DEXQXJORSA-N 426.457 0.720 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1)C(F)(F)F 1839893246 SGRNOYHXOVHDRL-GUYCJALGSA-N 431.415 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1cccc1)CCO2 1840458676 UBOYFYXJOJXCEK-XBKFQHLESA-N 444.532 0.583 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1841619365 VELPKHZVWDASLI-ZDUSSCGKSA-N 429.502 0.932 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1841746348 FKKPFFAYFQDVDJ-LSDHHAIUSA-N 437.541 0.252 30 20 ICED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845137667 WJEIYHXGVIWCHJ-MRXNPFEDSA-N 447.536 0.865 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1ccnn1)C2 1847071091 OFUGCJLNSJLIQM-JKSUJKDBSA-N 430.509 0.959 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCS(=O)(=O)c1ccccc1 1847263209 JRXVTKNZBSQQKM-IDPBEMBBSA-N 445.541 0.911 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 427020587 QUXOJJLQCDXYJS-UHFFFAOYSA-N 437.548 1.550 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@@H](C)O1 428850927 PHVZSBFAVIALQW-HDICACEKSA-N 447.540 0.599 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)no1 434779336 UOLNUDRSRRNBJP-UHFFFAOYSA-N 441.492 1.133 30 20 ICED N#CCC1(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 435959749 RHNUTUXMZQDESA-CQSZACIVSA-N 436.490 0.180 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@@H]3O)n2)c(F)c1 440167372 JADCYLGVIJXJPY-LESCRADOSA-N 427.436 1.210 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)c1 441957965 VHYFRRFTSZUPGU-OAHLLOKOSA-N 425.510 0.737 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)ccc1OC(F)(F)F 443346913 NNGXBXDREVAAIS-QGHHPUGFSA-N 439.350 0.890 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(C(F)F)c3)CC2)cc1 467476931 PAFAXUOPNALESC-UHFFFAOYSA-N 438.416 0.621 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472282205 XBJLORMSZQWXHL-UHFFFAOYSA-N 446.552 0.587 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)CC2)c1C#N 472870403 FMPJDBVOUZGRMR-UHFFFAOYSA-N 444.517 0.432 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCc2ccccc2C1 481506170 CBEAEPZUWVJJNH-OAHLLOKOSA-N 426.498 0.926 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O 482060457 LECFZHZUHLNDGM-TZMCWYRMSA-N 430.490 0.904 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1=O 483203458 ASHMHVOZHNRMNL-KRWDZBQOSA-N 443.500 0.825 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 484009068 GCPXDXPDUJPQEC-IAGOWNOFSA-N 444.536 0.080 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)nc1 489003858 BDXXHWYHDIVLEX-DOTOQJQBSA-N 425.510 0.901 30 20 ICED C[C@H](O)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 498924378 LFKAQGJFHFJSEB-IRXDYDNUSA-N 443.548 0.881 30 20 ICED CN(CCCN1CCCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 499914054 ULJDASKYPGLKQB-UHFFFAOYSA-N 433.578 0.809 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 501245276 XECVRRFFEKUSRE-DOTOQJQBSA-N 436.534 0.568 30 20 ICED COc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)cc1[C@@]1(C)NC(=O)NC1=O 504241910 SVJWMCVTFXZRTL-GOSISDBHSA-N 432.462 0.969 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 506555855 IOFCDTYLQQEKLE-UHFFFAOYSA-N 439.559 0.890 30 20 ICED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506619022 BWTVZUJUMVMEHM-UHFFFAOYSA-N 427.454 0.908 30 20 ICED CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508334884 XSEGLEZNJWCFRG-AWEZNQCLSA-N 447.521 0.513 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC(C)C)n(C2CC2)c1=O 512790670 QCSSHUANTDYSAS-UHFFFAOYSA-N 429.546 0.895 30 20 ICED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)C1=O 513521531 NRQCAIMTPDPICM-UHFFFAOYSA-N 439.407 0.364 30 20 ICED CCN(C[C@@H](CC(C)C)NS(=O)(=O)N(C)CCC#N)S(=O)(=O)N(C)CCC#N 513848828 OBOOMGYQADXEER-MRXNPFEDSA-N 436.604 0.493 30 20 ICED COCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 517168869 OJJDNUVXWYYPLM-UHFFFAOYSA-N 434.518 0.276 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)[C@H]3CCOC3)nnc12 524247567 ZLKQXKMQYNGDFO-XJKSGUPXSA-N 429.502 0.836 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)C1=O 536039398 OFHFTOQUOFSWEW-UHFFFAOYSA-N 425.445 0.229 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)CC1 540371713 LMOIOHFGGVFPCU-KRWDZBQOSA-N 449.533 0.537 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 542063885 KKEUFHSMOYTURC-UHFFFAOYSA-N 426.824 0.917 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542934575 RUUDTMCAONWNHC-UHFFFAOYSA-N 441.509 0.675 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1=O 543621506 SCQVGGAPWONRNL-HNNXBMFYSA-N 427.548 0.879 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 547329135 WOOHGQRAMNROLJ-UHFFFAOYSA-N 432.933 0.632 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 551166247 MEWLIVAYZTXCGU-LJQANCHMSA-N 444.555 0.926 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(C)C)c1=O 555426492 ZYOQXWAGMKOYFB-UHFFFAOYSA-N 429.546 0.580 30 20 ICED COCCN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558056723 JQOOBARPYPLXGH-FQEVSTJZSA-N 435.484 0.846 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)N(c4ccccc4)C3=O)CC2)c1C#N 570191597 PMYWCUFJGJBZOJ-HNAYVOBHSA-N 449.515 0.559 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C#N 574328028 RPGARBDQWTVWQA-UHFFFAOYSA-N 427.490 0.099 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCOC2)O1 587666723 WHNCYGCRQBWCAK-XMSQKQJNSA-N 427.505 0.835 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604168597 FFCLIZZRJQTGGF-UHFFFAOYSA-N 431.449 0.783 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC2CCN(CC#N)CC2)cc1 609337517 RUFIYTLTORVGCG-UHFFFAOYSA-N 435.550 0.551 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCOc2ccc(C#N)cc2)cc1 611644401 CPABGRYUWKPHMI-JXFKEZNVSA-N 445.497 0.886 30 20 ICED CS(=O)(=O)NC1(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCCC1 615069758 HRFQPHHYMLCXAA-UHFFFAOYSA-N 445.505 0.446 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)C[C@@H](C)O1 615628573 BMCCJIUWPGURED-BIENJYKASA-N 438.481 0.887 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 620053489 AJYQTSJPNBNXCG-GOSISDBHSA-N 448.545 0.980 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144329 JMKDTBICCDSTGZ-AOZSXKTHSA-N 432.594 0.696 30 20 ICED CC(C)N1C(=O)c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2S1(=O)=O 731863358 UVCUDVJRIMUPEA-FBMGVBCBSA-N 432.458 0.496 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 755544779 GASKCDXBPNWHAK-HIFRSBDPSA-N 433.465 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 758077988 WMARWHCZSLSIRH-UHFFFAOYSA-N 443.488 0.907 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC(F)F)c2)c1=O 758089444 LOGSOXFARYMLBW-UHFFFAOYSA-N 433.436 0.410 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 758643169 HCVKNLYYVWFNAF-IUODEOHRSA-N 444.535 0.632 30 20 ICED CN(C)C(=O)COC1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 761628936 IGBBINWPISBPOL-HEHNFIMWSA-N 437.522 0.820 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 762207186 PJORSXFCVWLCLB-GOSISDBHSA-N 434.514 0.505 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cncs3)c2=O)cn1 767891888 QCSZDXMJSFUFES-UHFFFAOYSA-N 427.511 0.787 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 772299699 BGGLITXCRHJWDJ-UHFFFAOYSA-N 446.492 0.100 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 775913831 PVWDVHWDXHBSRG-ADLMAVQZSA-N 427.479 0.951 30 20 ICED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 777514887 HJMDCSUOYAQPKT-UHFFFAOYSA-N 434.312 0.406 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CCCC1 785129853 DTVKELGXNVWNSN-UHFFFAOYSA-N 432.546 0.966 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)cc1 792661336 JKCSVLZBWZCCKO-KRWDZBQOSA-N 438.465 0.620 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)c(C)cc2F)CC1 795822200 FZJLOLXWIRBPOO-UHFFFAOYSA-N 425.482 0.367 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC[C@H]2C(=O)OCC)c1 805698759 XFABVQKYPFKFHN-KRWDZBQOSA-N 436.486 0.699 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(F)(F)F 807303334 HGWYWYUNOVQCCL-LBPRGKRZSA-N 440.375 0.605 30 20 ICED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 807824931 GPRIKWPSYLDDBU-ZDUSSCGKSA-N 433.513 0.628 30 20 ICED C[C@H]1C[C@@H](C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C(=O)OC(C)(C)C 807978985 KJNHEQUFBPFWIE-STQMWFEESA-N 443.526 0.384 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 808174023 PEEVYGVKERQJAX-GOSISDBHSA-N 441.488 0.861 30 20 ICED COCCN(C(=O)COC(=O)c1cccc(C#N)n1)c1c(O)nc(=O)n(CC(C)C)c1N 811251178 MDEQYQFEBOINKV-UHFFFAOYSA-N 444.448 0.290 30 20 ICED O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@H]1CCCN(O)C1=O 816756201 RYWNCHZARIDKJR-LBPRGKRZSA-N 425.385 0.750 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)ccc2c1=O 843758130 KLUGMEHTJMXIRL-UHFFFAOYSA-N 443.529 0.680 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 917748282 CCASDLFNDWEUOL-CAPFRKAQSA-N 439.519 0.738 30 20 ICED Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 919485549 DWNZXPQSFDKOOF-UHFFFAOYSA-N 442.497 0.881 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1359084972 XLPRSENLFMQAIK-RYUDHWBXSA-N 448.343 0.040 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1360249016 ZPHIRMWPDIIDID-QGZVFWFLSA-N 425.493 0.804 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1539606675 MXCCHEDTZWAYSF-UHFFFAOYSA-N 441.330 0.604 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1611711321 MLYQGLNXMBCFIR-GDBMZVCRSA-N 425.559 0.491 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1616263963 SMROURMAQZKWOR-DYESRHJHSA-N 434.541 0.770 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1698298045 IJFSJQXIKVBUQQ-CQSZACIVSA-N 438.460 0.821 30 20 ICED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729312064 MOTKFCGJIUIRFS-SFHVURJKSA-N 437.504 0.938 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C1 1729594494 JNORBEBRQXNVDE-DYVFJYSZSA-N 436.314 0.831 30 20 ICED CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1731044698 YXJOAVOAUWRCND-WWGRRREGSA-N 432.547 0.804 30 20 ICED CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766865768 YRERKCCGPZVHIA-INIZCTEOSA-N 437.508 0.301 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779064503 BKUYNDUFEKHBQR-HSZRJFAPSA-N 426.517 0.971 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780596632 DJDOSYJSCZFLIL-HSZRJFAPSA-N 439.516 0.166 30 20 ICED O=C(Cn1nccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1780819884 ITRICQBRJKEDKH-WIYYLYMNSA-N 429.521 0.491 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1783557101 ASQBHBHHQATNFU-NRFANRHFSA-N 425.441 0.323 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783991338 JIABCGQEJKUYRP-JONQDZQNSA-N 436.509 0.155 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)n3)C[C@@H]21 1784478661 DPUMYUDXQUJXMV-XPYUAMARSA-N 428.489 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3C)[C@H]2C1 1789059814 KFTQBSSPXDKZSU-DOCOLBGOSA-N 430.480 0.981 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789957952 GVUCPOJHXBPQDZ-UGUYLWEFSA-N 427.571 0.251 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618095 OAHRMLZFEJRCME-NTPMHYTDSA-N 440.544 0.401 30 20 ICED C#CC(=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 1790794690 FCYDANYTYRWGSR-JONQDZQNSA-N 437.493 0.056 30 20 ICED C=CC[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 1791072643 PMPZODWNJIAHMZ-NXOAAHMSSA-N 449.504 0.524 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CCN1 1791343543 CDQPMFJBQWHBEY-AKDGEAGXSA-N 436.509 0.021 30 20 ICED 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](O)C1 1792451679 PWRPODQDOKMLDU-IWSXDTNSSA-N 436.509 0.108 30 20 ICED CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)C(C)(C)C 1793196396 FNQLTUNAIVJXSL-YHELAOLJSA-N 447.576 0.825 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258935 WXDVMSKDFRCVQV-WQDJSCAQSA-N 445.516 0.568 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1795079382 ZWYSFBMNWYYQMC-NXCRSVRDSA-N 432.864 0.569 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321579 FONJECFZWBMSNU-CWPLJXCYSA-N 445.520 0.203 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1797781093 YDYHLEBBNYTEJC-OPMZPASUSA-N 427.501 0.749 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783140 FRLOWFICIOPZAS-WQDJSCAQSA-N 446.573 0.301 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC[C@H]4CCC(=O)N4C2)C3)c1 1798694128 FDEYPJGUJCYXOY-GFAJBQDWSA-N 425.489 0.491 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)OC(C)(C)C 1800322777 KGPHFLHFGUFBJY-QOIYZWAUSA-N 443.504 0.467 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(I)c1)C2 1800455080 JQRIOWOQZWJSIN-DRXBFXEBSA-N 440.237 0.833 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)C2 1800778592 JKCCPDCMHOHHEH-SRYPRDQNSA-N 439.512 0.719 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc1 1801356464 YGQDWNQSFPZTMZ-BCDXTJNWSA-N 441.484 0.818 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1802021035 RNXBJNNESSECAE-ADYITMSISA-N 425.529 0.890 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)C#N)[C@H]1c1cccnc1 1803503911 XQWAGMBKXUZDMK-PVAVHDDUSA-N 435.550 0.965 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)O1 1803645645 HOZGQNJHFOYAOI-QECDCCOMSA-N 428.493 0.668 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810344362 XEAFWBYRWOSKPS-DYXWJJEUSA-N 429.473 0.996 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1810354217 NPNVHYPGCWSKFT-JUXOCIIHSA-N 438.488 0.252 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1810793669 GOLJBVOXALHBNM-IDHHARJASA-N 437.456 0.928 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890276 NUORQNMRDPTCHI-ZBFHGGJFSA-N 447.561 0.258 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1821595451 LGFNIJUBEAAIKG-JTQLQIEISA-N 427.446 0.120 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)n2cnnn2)n[nH]1 1822849897 AAOLKIBZYACVSO-NPLBLWOUSA-N 427.469 0.508 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CC(c4ccccc4)=NN3)sc2C1 1824437800 BYDXUWNOZACGEK-XJKSGUPXSA-N 437.481 0.909 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829856621 NZEFNWAGBVFNQZ-NFBKMPQASA-N 427.501 0.409 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)CCC1 1830353178 UYWCYNDWAZBRQD-JOCHJYFZSA-N 429.473 0.921 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccnc1 1830977337 PIQSJSXMUWCKPR-UTKZUKDTSA-N 432.525 0.182 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831391005 DACALRUYIJLOIF-HTAPYJJXSA-N 430.505 0.256 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1831393330 XDTDLPRIFYRWCA-HXOBKFHXSA-N 438.484 0.738 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831493793 VSFMJFZAXWVUJD-WAOWUJCRSA-N 442.626 0.033 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120696 OKBOPFCIGAZQNU-HSZRJFAPSA-N 442.516 0.174 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833452392 HXLNKNZGPUZTOD-UHFFFAOYSA-N 431.624 0.912 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cnn1C 1834422674 DSAOBTOGFXEGFR-OAQYLSRUSA-N 432.525 0.080 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)CC1 1834600345 MPSADYPIQMJPFV-UHFFFAOYSA-N 444.580 0.026 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)n4)CC3)CC2)c1 1835075287 FIPURZZYVLMXBT-UHFFFAOYSA-N 439.476 0.587 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)cc5nn[nH]c45)C3)C2)CC1 1835345387 LHMVFFMYNBBJQM-HXUWFJFHSA-N 444.879 0.985 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1835575445 QRZJZHCMTSIRBF-AUSIDOKSSA-N 441.532 0.123 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836483369 AGXOVQQKSNUVGY-LAUBAEHRSA-N 447.467 0.214 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836843948 BYMFNCTVHGHBJN-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837448802 SUKYLBOGDXYIII-BTYIYWSLSA-N 435.477 0.899 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837670922 WMJKMEVWRKXOPQ-OXFYSEKESA-N 429.583 0.702 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C1 1837670994 YLZYCMUKKGBIJQ-CSODHUTKSA-N 425.526 0.339 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980438 RUIANEWTWNXPSV-XQNSMLJCSA-N 431.541 0.748 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)C 1838732814 BEXNLADYKYWAER-XMSQKQJNSA-N 445.520 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1)CCO2 1838964519 KKRABAUCFCWAAB-UFTUAFODSA-N 443.500 0.624 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186312 LUWDFHKHCSWNOB-OAQYLSRUSA-N 442.451 0.437 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839223140 NRZXPLNFDYJORP-VLIAUNLRSA-N 449.464 0.046 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840169653 ORDGNGTXCSZLJJ-FDDCHVKYSA-N 442.516 0.460 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cc3ccccn3)CCO2)C1 1840330797 QGFLZFMRWKKNMI-PWHSHALESA-N 429.517 0.755 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483296 CLIZRRJXKYMSGH-HRAATJIYSA-N 434.493 0.465 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816439 SNHGRVMUPYYXLJ-PMAPCBKXSA-N 445.516 0.892 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840830961 KXIHGFFMRHWJHR-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1841598568 PMBICDCLTMTHBW-IAGOWNOFSA-N 435.521 0.864 30 20 ICED N#Cc1ccc(F)c(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 25819028 ZJCRFQODCFPVTP-UHFFFAOYSA-N 438.506 0.851 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 435644795 IXAZPHSGYYSSQM-UHFFFAOYSA-N 434.449 0.877 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)C1=O 440261935 ZWEZRGVXUVPCAJ-RHSMWYFYSA-N 436.534 0.947 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)n2)c(Cl)c1 440376271 PGRAUMRWZKWYPA-LBPRGKRZSA-N 436.881 0.615 30 20 ICED C[C@@H](Nc1ccn(CCC#N)n1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 444414594 XXHDKKIKDSVSIM-OAHLLOKOSA-N 432.506 1.257 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 460391022 UIXQMKUZPHAHOS-JYJNAYRXSA-N 442.586 0.832 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)c1ccccc1F 460619290 LVVVXPKXHILJCD-UHFFFAOYSA-N 435.419 1.071 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2n(C)c1=O 465050171 JHGOKYRQJMYEEG-UHFFFAOYSA-N 434.500 0.645 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1 467548674 PSEVTULBRCINIY-AWEZNQCLSA-N 441.509 0.513 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnnn3CC3CC3)CC2)cc1 471692699 JUHQKVCQNDHNCE-UHFFFAOYSA-N 429.506 0.672 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 476742210 GQRVFQWPWNGBDN-IBGZPJMESA-N 432.484 0.892 30 20 ICED COc1ccc(CCn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 501995037 RQMSXEFSUVCUNY-UHFFFAOYSA-N 449.536 0.676 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 506442861 CDNDAEKZRBNGDY-HNNXBMFYSA-N 429.520 0.077 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 506710072 IIGIJGALFIOGMD-DOMZBBRYSA-N 448.480 0.656 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(CCSC)c1=O 512720680 NSXYTJJCPDWKEY-HNNXBMFYSA-N 447.586 0.287 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2=O)cc1 517197849 BEFJWDLLKNVRDR-NRFANRHFSA-N 447.495 0.830 30 20 ICED CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 517327950 RKPDPBBTPXARQB-HNNXBMFYSA-N 436.490 0.559 30 20 ICED CC(=O)NC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 520847259 HLXTYHJGIQITET-SFHVURJKSA-N 447.561 0.239 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 538099283 SAUVMVPWMVHDSR-UHFFFAOYSA-N 430.494 0.715 30 20 ICED CNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 550500474 DBVWGWUWMRXYNX-LJQANCHMSA-N 433.468 0.451 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 553337910 ZQKSSJAMJCRCGQ-UHFFFAOYSA-N 427.505 0.908 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)CC2)c1C#N 557335926 MWHSOXVZALZTAP-IAGOWNOFSA-N 429.569 0.733 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC1 561450436 KHLWZXYYIFZZSC-PXNSSMCTSA-N 434.560 0.948 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 577667827 JMSBDBUSFKXDNM-OAHLLOKOSA-N 436.476 0.874 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)n1 581681674 BEBADUNCDNKQPD-UHFFFAOYSA-N 438.492 0.186 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)c1C#N 583719458 NDBSTTWJPITLOQ-NXHRZFHOSA-N 426.521 0.713 30 20 ICED N#Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)nc1NC[C@@H]1CCCS(=O)(=O)C1 588841437 KIDVXTMAZSLCJG-GJZGRUSLSA-N 426.564 1.427 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608889755 ZBUJOKRFLCBZNE-UHFFFAOYSA-N 431.474 0.426 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)CC1 728532756 JDECCEADNUKIEL-IBGZPJMESA-N 426.517 0.584 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 730893269 OQRIPHVLCUFCQT-UHFFFAOYSA-N 444.469 0.447 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 731127434 FEVPXPOFGIWHAK-UHFFFAOYSA-N 446.441 0.640 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)ccc1F 731197628 XUTGCJREUGWMHP-AWEZNQCLSA-N 434.511 0.566 30 20 ICED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732457339 ZPXCTWTUNSLORH-HNENSFHCSA-N 449.533 0.840 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 732466892 STNGFLVHUPUOQF-NXVVXOECSA-N 448.461 0.650 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(COC)cc2)c1=O 742144079 SJTJWEQNNNEXGY-OAHLLOKOSA-N 445.541 0.357 30 20 ICED C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 744616548 FGCICNKYYKDINQ-ZDUSSCGKSA-N 431.474 0.608 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2CCCS2(=O)=O)c1 747293891 IDPYMKQIEIUJCB-SILNSSARSA-N 443.551 0.656 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758646334 WJAKUQSBAVOGGN-ZIAGYGMSSA-N 431.515 0.354 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 761029373 OHOCKKWMZXOBEL-MRXNPFEDSA-N 430.452 0.896 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 773348235 HSCUDCUKNZHACM-UHFFFAOYSA-N 445.497 0.566 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 775702587 YNIVPZIHAGIKMQ-UHFFFAOYSA-N 434.440 0.467 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1CCCO1 775798342 GULDDFCYBFQVOX-NHCUHLMSSA-N 431.558 0.779 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 777479845 RCWBOFUIQKQQFN-UHFFFAOYSA-N 442.449 0.727 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782909558 YAVAVCJHCSKADB-HOTGVXAUSA-N 438.477 0.971 30 20 ICED CCN(C(=O)COC(=O)c1c[nH]c(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 786902557 YQCNAAKAVGJFBH-UHFFFAOYSA-N 436.428 0.989 30 20 ICED C#CCC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 799081860 PKIFOSMJGBVHHA-SJLPKXTDSA-N 435.546 0.961 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1=O 799176419 RQURXWXALOXSJX-KRWDZBQOSA-N 433.534 0.814 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccnc2c1nnn2C 802057953 CBAAYUAOPJWLJX-UHFFFAOYSA-N 447.411 0.900 30 20 ICED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 806780399 NPKVSTHHFPGYFE-VHEBQXMUSA-N 447.517 0.531 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1cccc(C)c1 814249853 ZIXOHDAOVHJDHN-UHFFFAOYSA-N 429.452 0.918 30 20 ICED Cn1cnnc1COCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 815911449 BQKXHMIACXOLRI-MRXNPFEDSA-N 427.421 0.298 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1OC 816755994 NUOAZFVKRPNQLR-HNNXBMFYSA-N 441.506 0.601 30 20 ICED NS(=O)(=O)c1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 915195219 NXFSGSAGMRNQRS-UHFFFAOYSA-N 436.515 0.469 30 20 ICED CCc1ccc(C(=O)[C@H](C#N)C(=O)NCCCOC)cc1S(=O)(=O)N1CCOCC1 916871819 YHHGRNDXFPQZBO-KRWDZBQOSA-N 437.518 0.745 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)c1 927569601 IJHVEODRFLEFCZ-IBGZPJMESA-N 449.529 0.470 30 20 ICED COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1177251319 JIUZZYARIPNGAE-CWTRNNRKSA-N 433.486 0.981 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)ccc1Br 1191172074 SWGSGACAAUIDCG-ZIAGYGMSSA-N 435.321 0.897 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Br)c1C#N 1213941956 YSQLIZVVHRQRBS-LLVKDONJSA-N 437.293 0.281 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286629997 PFQPSJYOCUCAIV-JSGCOSHPSA-N 428.946 0.973 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 1321424117 GRJCPCDOTCCILX-GOSISDBHSA-N 431.518 0.085 30 20 ICED COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 1322633364 LKJBVLKMKZZYFT-PBHICJAKSA-N 430.486 0.768 30 20 ICED CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1443965372 LBKZZXYZOMTAOD-OAHLLOKOSA-N 439.472 0.521 30 20 ICED CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)N(CCC#N)CCOC)C2)ccn1 1464062456 SRIAFTISECADBR-MRXNPFEDSA-N 425.511 0.391 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1501194615 QXVVZUYIGUAIIB-UHFFFAOYSA-N 438.536 0.553 30 20 ICED N#CCc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1654289266 ZOLRIGRTPWMXMS-UHFFFAOYSA-N 428.518 0.890 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1746435593 MPWMGWCEGGDFMI-MJGOQNOKSA-N 449.625 0.946 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)COC1 1751303623 BWMIPLUBEMTBOA-DYVFJYSZSA-N 428.490 0.089 30 20 ICED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1767945373 LGXYWUNWZNBKCG-UHFFFAOYSA-N 447.521 0.597 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778163115 ILAZZRBUOBLKHN-JOCHJYFZSA-N 442.472 0.609 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069749 XBRSYXRLLYYDHH-WMZHIEFXSA-N 433.549 0.820 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCN(C)CC1 1779139465 DSUARLDLWRURIB-OGPLKVJOSA-N 431.537 0.164 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)n1 1779240341 GVVMWHVYFIWLPN-QFIPXVFZSA-N 427.505 0.811 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(=O)N(C)C)C3)c1 1780088913 JGDGEYIBYZWDQT-XMSQKQJNSA-N 428.489 0.783 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780895776 SUEUVEHIMIEMNN-VFNWGFHPSA-N 434.514 0.945 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c(Cl)c1 1781971128 MHGMXPSPBGOFEH-HXUWFJFHSA-N 443.895 0.988 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015330 HPLTVMLCNAPJCY-VTJXTGGHSA-N 437.493 0.502 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1782056720 JTNCZNKGYYYGMS-QFIPXVFZSA-N 447.455 0.355 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1783112860 XGQQYZBUCRATIC-VWKPWSFCSA-N 425.526 0.914 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783397042 SSLTUMSOVZIOGH-OAQYLSRUSA-N 437.541 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784895760 BHBYNSFYURTDQD-BOSXTWCSSA-N 425.489 0.449 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368126 FTXJGUFNBSVILC-QEOTZNIISA-N 436.509 0.250 30 20 ICED COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cn1 1786857612 WZZLGQJDOOIBET-ZOBUZTSGSA-N 430.509 0.360 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790128081 YYFWDCRMXZGAOP-SNRMKQJTSA-N 441.532 0.661 30 20 ICED CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1O 1790304895 SCZMYDPTACKMDI-MPGHIAIKSA-N 429.429 0.032 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21)c1ccc(O)cc1 1791331179 KKAHOTBIUDEDSH-QIJZPMMNSA-N 441.528 0.957 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 1792258139 TYWQIJMKEBKZSQ-XSLAGTTESA-N 437.537 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1ccccc1)C2 1792490072 KKMIGBVPNOPJFF-YGWRDHKESA-N 426.517 0.935 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794432100 LOIAEYBAMVLDRN-AFIMGQEJSA-N 432.477 0.404 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794432101 LOIAEYBAMVLDRN-ZXFNITATSA-N 432.477 0.404 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C=CCN2)C3)c(C(F)(F)F)n1 1795994542 MLLMMYKAOLBLQY-VZAMPYOESA-N 435.406 0.703 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn2c1CCC2 1799963847 RELBKCNQJNWRGA-SJSYYZABSA-N 431.493 0.562 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128557 VWJGQGRNPXIZPB-LJCCNALRSA-N 431.537 0.513 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)C(C)(C)O 1801992201 RFPSEESMFGCYTH-UMPJEAMMSA-N 437.493 0.377 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CSC(=N)N)[C@H]1c1cccnc1 1807145428 LKSDOHAKYDKGLO-RDJZCZTQSA-N 431.566 0.996 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807624373 SHTFWLCTFYYUKM-XMSQKQJNSA-N 446.471 0.725 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810357857 UJICGCQERZURIJ-AEAYQDRYSA-N 431.497 0.099 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812391579 CKUNJJNZQJCGFA-GOEBONIOSA-N 438.431 0.842 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819366346 OWJREGDSOPURJB-BQFCYCMXSA-N 435.525 0.626 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955721 NRJQWYLYACLTJS-WZONZLPQSA-N 442.516 0.436 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1830061005 ZAJLJHGHPANEEB-JOCHJYFZSA-N 438.488 0.887 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1830456318 JJFGKNRNVQWYET-AVRDEDQJSA-N 442.472 0.056 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885487 GOHRDCFPVDZDKM-IERDGZPVSA-N 441.525 0.295 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831418913 ICHPHOZPCVTYCQ-KKSFZXQISA-N 425.526 0.196 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831485214 RTBQSJSSCGFOJA-FUHWJXTLSA-N 441.510 0.202 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nc1)CCO2 1831944048 XFPNQNVKDZWRNV-GSRQWWPUSA-N 444.488 0.019 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370256 ICICSLHKRSDAGH-QFIPXVFZSA-N 432.521 0.819 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Br)cn1)CCO2 1833109464 KZAOFVBMMPTATB-SFHVURJKSA-N 437.294 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833464820 WANIFCSBAFZMMN-IBGZPJMESA-N 434.581 0.319 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1833488423 XATFUBZATVFNRS-SFHVURJKSA-N 427.615 0.784 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1834174661 RZISAHAONCDCQY-YRPGDMADSA-N 435.481 0.019 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ncccn5)CCO4)C3)c2c1 1834296951 QIYNZLKYGDLXDY-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1834827453 NKHLEBSJAALKQJ-AUSIDOKSSA-N 430.501 0.950 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100287 KVXXWSGPJKLPDQ-CYFREDJKSA-N 449.511 0.785 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(-c5ccncc5)[nH]n4)C3)C2)CC1 1835344396 BKGUTVGRACSORA-QFIPXVFZSA-N 436.472 0.845 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835536892 SMYSYULMVIPINA-LJQANCHMSA-N 447.469 0.160 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)[C@H](O)C=C)CC2)CC1 1835713438 LRYKXUPKQRVDDT-VQIMIIECSA-N 434.581 0.822 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)CCC1 1836130403 KKTGHUAEXYTXLJ-OAQYLSRUSA-N 430.461 0.160 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)ccc1F 1836479750 PJJUXELPUJGZGK-SIKLNZKXSA-N 428.464 0.224 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCCCC1(F)F)CCO2 1836629597 KMWVCHGXADLPQF-ZWKOTPCHSA-N 432.395 0.448 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837403592 WIAICSAEDSGVED-KXJNKWKMSA-N 430.505 0.519 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837403916 WCRAUBINGIEPFA-XXBNENTESA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1837447531 QKDZANJOWRUFKW-HFAQXNDNSA-N 430.908 0.839 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837488573 LDLAQYDSITXKLN-HSZRJFAPSA-N 442.516 0.174 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837566752 KPZAVBMWQTXBBS-FFCJBUTOSA-N 445.476 0.211 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C 1838273385 MCESDMCYHMOZID-JOCHJYFZSA-N 446.552 0.334 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838432854 XNEJLXVLHCYPIE-FQEVSTJZSA-N 445.520 0.650 30 20 ICED Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838819564 ONCXGBDJGRLJCQ-RWTMDTCBSA-N 448.520 0.933 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186554 BKPOFSPQKSRAHY-QFIPXVFZSA-N 441.463 0.744 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c1 1839453490 NXVNIZTYCYMLLM-VGSWGCGISA-N 438.488 0.789 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1839810503 AFOTVWQGYOXCOF-HVETUWLQSA-N 433.505 0.476 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811738 MFTIDNKRTFKQJI-NWFVXXGESA-N 447.532 0.864 30 20 ICED CC(C)COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccn1 1840042012 VHNFUZXRYJSOOD-QFIPXVFZSA-N 445.472 0.274 30 20 ICED COc1cc(C)c(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043705 PFWJAXBZDCRNKM-QFIPXVFZSA-N 430.457 0.470 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)C 1840812183 FANDDPXLSCXTDJ-HTAPYJJXSA-N 434.537 0.687 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840842881 HRTSBWYKKVPRAF-FQEVSTJZSA-N 430.486 0.239 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837901 SLNHEDJEDTZNEF-MRXNPFEDSA-N 427.567 0.435 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2ccccc2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 9802788 HAINFEZEMFRUPL-OAHLLOKOSA-N 432.458 0.984 30 20 ICED CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 33111513 CYSSXHBBAYYYEL-UHFFFAOYSA-N 444.473 0.831 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)CC2)o1 116785747 QLLRBZLSBZWQKO-CQSZACIVSA-N 446.533 0.844 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3ccc(Br)cc3C#N)CC2)CC1 302213297 ZGLZEYXSGBPBIV-UHFFFAOYSA-N 428.356 0.935 30 20 ICED C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)cc2NC1=O 410137772 OJZJDNGBKATFHK-CZUORRHYSA-N 448.501 0.770 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 410145861 PTVAYYIZGGKRMP-CYBMUJFWSA-N 430.508 0.336 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)NCCN1CCCCCC1 432433790 AFKUFBPELDQPRQ-KRWDZBQOSA-N 428.541 0.561 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 434435259 RRVNFIUGSZRPNY-CZUORRHYSA-N 428.536 0.154 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1 437715335 FRHGBQHZPIJYSI-DOTOQJQBSA-N 430.505 0.931 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 441912552 UFJYBXBJTPKUGG-BEFAXECRSA-N 426.473 0.790 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c2)c1 442001925 MUWSQNCKBXEYCA-SFHVURJKSA-N 447.451 0.245 30 20 ICED COC(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(C(=O)OC)s1 443074915 YKHYLLCKXLCMOD-UHFFFAOYSA-N 445.519 0.558 30 20 ICED Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C2CC2)c1=O 447282792 KYEDRGKWOPLKEI-SNVBAGLBSA-N 449.330 0.849 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465153458 SFQVJANBLFOZKZ-CQSZACIVSA-N 437.460 0.994 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 480812326 PNHFSUTVWQQGJY-CYBMUJFWSA-N 428.474 0.195 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1Cc1ccon1 480966798 UVXTVRSGWUHHGW-UHFFFAOYSA-N 437.481 0.545 30 20 ICED CCO[C@@H]1COCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484637794 LMWVVEQYFDMBNF-QZTJIDSGSA-N 436.534 0.175 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 485058738 TVSLLSOXBUUTKW-UHFFFAOYSA-N 444.897 0.298 30 20 ICED CN(CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 495965770 MZBWRULZRLWQOU-UHFFFAOYSA-N 447.561 0.335 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)o2)cc1 502736013 DXFWDFKXDNKTAO-RTBURBONSA-N 445.497 0.958 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 508305635 LVGNYHFDRPKSSU-KRWDZBQOSA-N 437.460 0.073 30 20 ICED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 509736913 JOHRIDPEPCQBTB-UHFFFAOYSA-N 444.492 0.539 30 20 ICED N#Cc1cccc(CNC(=O)CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1 514093358 GGHFJWGAKYTVFC-UHFFFAOYSA-N 448.483 0.566 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 518334588 FZWPDGOLKBULJJ-UHFFFAOYSA-N 438.534 0.776 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 531142831 ILSLZQUZGXBNGP-FQEVSTJZSA-N 440.610 0.883 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 550259841 VXPZIBYMMWTNFT-HZPDHXFCSA-N 441.531 0.031 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)C1=O 552633336 VEXBSIKYVAUYCO-RBUKOAKNSA-N 432.496 0.561 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 552908624 DWAOOAGHNLUVDW-UHFFFAOYSA-N 440.504 1.120 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1-n1nnnc1C 608843855 JDMMQBONCIXHQM-UHFFFAOYSA-N 447.459 0.533 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc2c(c1)OCCO2 619538511 AIEQJOWIUBHREU-UHFFFAOYSA-N 449.488 0.928 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669809509 QXRLSMJYXBXTNJ-HNNXBMFYSA-N 429.510 0.625 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C 725762159 GICNWASIHVZKGH-UHFFFAOYSA-N 428.489 0.251 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 726785713 MYCIPMBWNMJTHC-UHFFFAOYSA-N 444.517 0.845 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2CC(=O)NC(=O)C2)CC1 726817907 GVOQZSFYDFEVAU-UHFFFAOYSA-N 441.400 0.051 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1C 727006152 JPZDFQSDHBVGPN-BIWSTMPVSA-N 439.538 0.869 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCNC(C)=O)cn1 730723147 YETHHDDURZWIOP-CQSZACIVSA-N 443.489 0.977 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734035589 IYZYFEJFHPGUHV-ZIAGYGMSSA-N 436.490 0.238 30 20 ICED N#C[C@@H](C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)C(=O)N1CCS(=O)(=O)CC1 740557461 JJCSJRDYGFUXEF-ZDUSSCGKSA-N 441.391 0.866 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 744918872 OCXKMWVWPMDHKJ-LLVKDONJSA-N 435.414 0.160 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 753788924 YXISHPCDHJSXKK-UHFFFAOYSA-N 425.532 0.285 30 20 ICED C#CCN1CCC[C@@H]1COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 756556995 YTOVVYGBFIDKKK-LJQANCHMSA-N 447.557 0.941 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1=O 758404418 RGGSGJGBLKCBBY-UHFFFAOYSA-N 445.907 0.499 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 766262676 ITZHUGGNKFHYOP-ZDUSSCGKSA-N 428.536 0.373 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)cc1 767277135 CESRWODGCBHNLH-UHFFFAOYSA-N 440.433 0.620 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 783012445 HMJKBIWPAOWNQU-UHFFFAOYSA-N 435.490 0.585 30 20 ICED CN(CCN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1)Cc1ccccc1 787759535 OQJYAEVPQFSXNI-UHFFFAOYSA-N 449.559 0.758 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc2c(c1)CC(=O)N2C 804573651 OHYNCANIOQIUSY-HNNXBMFYSA-N 432.484 0.998 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 806967482 MNNQYWWMUXSGLN-UHFFFAOYSA-N 435.477 1.000 30 20 ICED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 807335640 LCYCPHGUFFSYON-KRWDZBQOSA-N 429.498 0.582 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N(C)C)c1 810164132 AGMJICSXVFIOKN-XDJHFCHBSA-N 431.540 0.512 30 20 ICED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1NCCOC 810776528 WZJRNYLTGJBGCX-UHFFFAOYSA-N 445.563 0.858 30 20 ICED COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 812170521 ACMLGSFYOIGEBD-HNNXBMFYSA-N 448.491 0.949 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229137 GKWSFDSFWRWGIU-OAHLLOKOSA-N 437.525 0.346 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 853664383 NRBWGPKTYQSCDL-UHFFFAOYSA-N 444.425 0.877 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCOCC4)nc3)CC2)o1 914684071 VARXOMMLQWCQAX-UHFFFAOYSA-N 440.460 0.592 30 20 ICED N#Cc1cccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 919059459 NHJYBTCZYRNJQK-UHFFFAOYSA-N 429.454 0.915 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccsc2)C1 1302483779 KLHXWMJRWPSKQU-LSDHHAIUSA-N 438.535 0.450 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[S@](=O)CC 1314393312 FBZUNBPRHUAXKA-DHMKHTPVSA-N 432.554 0.960 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)c1C#N 1338844093 DCWDSOWNKIOCIO-UHFFFAOYSA-N 431.518 0.258 30 20 ICED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1359402372 YIUOJGKYXLTWIY-UHFFFAOYSA-N 442.568 0.695 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)CCO1 1555994412 HYZKRIGGRYOYMF-GOSISDBHSA-N 426.477 0.487 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1564006560 KWHUTQCQNRJHPW-FQEVSTJZSA-N 430.528 0.935 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1587854592 YBRYPDRGIATSOD-ZBEGNZNMSA-N 432.424 0.895 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1618469457 WVRZRLNWKFWFBJ-OXJNMPFZSA-N 446.533 0.144 30 20 ICED COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1668037635 YXSBLUQYXBNFOS-CQSZACIVSA-N 444.517 0.958 30 20 ICED CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1706632464 YEQKEXBBKIKXMW-AWEZNQCLSA-N 425.559 0.933 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1710484386 SSITXEUZPKTGKA-WOIUINJBSA-N 447.584 0.685 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1743198536 OUERRPXUYLRISF-HNNXBMFYSA-N 435.492 0.658 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766751406 OSQINROMWKMSHS-MKTHODDLSA-N 446.581 0.791 30 20 ICED Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCS(C)(=O)=O)CC2 1767529324 OEIMSRIIZSZCAH-UHFFFAOYSA-N 439.501 0.518 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(C)C 1779102058 ASCKRSKDNYDAKA-AQMFINPPSA-N 439.509 0.933 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779553610 HQSRGGZZXPKUMH-GFVXIMMASA-N 448.520 0.364 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cnc2c1 1780333923 ARJSMCIZVKIYMW-HSZRJFAPSA-N 446.467 0.960 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781401287 XXSMZGJCRNOOPP-FOIQADDNSA-N 435.481 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnc3C)C[C@@H]21 1783532759 FHFOKGUJLITHHH-BPBFDUBYSA-N 429.521 0.591 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785064466 JTSXJISDHUHIQI-USJZOSNVSA-N 445.541 0.971 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c2c1CCC2 1788019473 MUVYPOHVXCOUJY-IEZWGBDMSA-N 442.564 0.784 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600865 FUZNKFRIUWYKIB-DWYRPQIRSA-N 443.552 0.728 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601356 ZRDGJMNTNAYBQE-GKXWKTPHSA-N 430.553 0.971 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907662 KZAWZEKGMYTGJL-QRFRQXIXSA-N 430.480 0.746 30 20 ICED COc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1OC 1790157928 GQLPICVAZASJLD-XEZPLFJOSA-N 434.420 0.524 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(C(F)(F)F)n3)C[C@@H]21 1791077159 MXZOSETVWXNYOL-NHCYSSNCSA-N 431.392 0.843 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1791440527 RIJRVFYNFINQIP-LNLFQRSKSA-N 430.505 0.886 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1792188403 FSSWRHNKUUIDSX-FFGOWVMKSA-N 430.480 0.766 30 20 ICED C=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)C2 1793599152 PLNWLNRGNXQKIV-SIRPWMCASA-N 438.525 0.180 30 20 ICED CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)o1 1794601091 HVRCFIWGXBRDGC-NLVNUDGLSA-N 435.481 0.473 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1797729842 QMOOBHFOTFSVBF-YYAJDYIMSA-N 448.596 0.225 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1797814848 ATTCEFTVFUCIPI-OXKIAUAUSA-N 446.460 0.543 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798576355 PUEZUPNTPASKMA-PMBNNVTJSA-N 438.484 0.628 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1799305263 ZFKXHJGUOIIHPL-NYUBLWNDSA-N 430.505 0.571 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1N1CCCCC1 1799784463 YZAANYAOCWUPPT-FAQVEIGNSA-N 425.485 0.968 30 20 ICED C#CCO[C@H](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 1799980084 PSHNLPMFPRUHDW-QKDSSNGWSA-N 449.548 0.891 30 20 ICED C#CCCCC(=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 1800996095 IHURPOSAXJJZBX-IHEQNBGGSA-N 449.548 0.750 30 20 ICED CCOC(=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 1802092646 NYFLOWJHGFZEQC-KJCJHMIBSA-N 439.509 0.694 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806848122 AVNUOJROJBZRGJ-OAHLLOKOSA-N 434.493 0.325 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CC1 1806852815 DDVABVRRTSRRAV-FPOVZHCZSA-N 438.532 0.555 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810335063 AXOBUOJJHQDVDT-WSTZPKSXSA-N 430.461 0.886 30 20 ICED O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1815769933 WNTOOWVZMODQBU-GSVUAOJBSA-N 444.496 0.472 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452427 NRVATCRXNDQKMM-VWYSKLEESA-N 449.512 0.524 30 20 ICED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822027037 ZBAIPJXWKZRMCH-LJQANCHMSA-N 440.504 0.874 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824408625 BENDSUTWPOLOIE-FQEVSTJZSA-N 435.590 0.750 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196870 LBBGCGULRRCYLR-ALQCXSEESA-N 433.513 0.822 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1829908200 ZXRVSJQJKWPTDL-KPYOPSEVSA-N 425.485 0.450 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830052915 AXTITSKCSNTGFX-GAJHUEQPSA-N 446.548 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456943 YNAYNIMJLWXZRL-DVECYGJZSA-N 439.512 0.986 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ncc1[N+](=O)[O-] 1831216117 XUCAGCNWKJQOJP-OAQYLSRUSA-N 428.445 0.782 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1831410793 DYDKFCKEUNUCIY-WMZHIEFXSA-N 447.532 0.849 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831485122 NXTPTEPXSDABLG-OXJNMPFZSA-N 436.534 0.205 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nc1)CCO2 1831953239 XZYVQRGLELCXKL-JOCHJYFZSA-N 447.488 0.670 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1832457112 JECZFWZSXIJPCC-FQEVSTJZSA-N 436.534 0.865 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCO2 1832540481 FBWIURPBBCCHCR-QHCPKHFHSA-N 439.468 0.152 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833293051 XQSHYIXGSWCTEE-VFNWGFHPSA-N 443.529 0.927 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1 1833465408 DTKUMMYPAAECIA-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1 1833469172 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1836508367 XXRIAZRVSJNHLN-MRXNPFEDSA-N 429.380 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836709666 WDGODQCNYKGZPF-DDKKJVIOSA-N 445.438 0.644 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883738 CWWGXBIZZMWMAA-IERDGZPVSA-N 429.477 0.390 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1837615310 GQFWPNPCORNHEL-RDPSFJRHSA-N 438.480 0.728 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837881956 YNOWSXICMUDWHI-ROUUACIJSA-N 438.569 0.151 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838246001 CKKXCDKGNDMLLW-OAQYLSRUSA-N 433.484 0.573 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838405182 DOTAHIHBXICBQG-VUISEMPFSA-N 438.525 0.649 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474630 MSUUXXIZPUKZBW-QVKFZJNVSA-N 433.461 0.471 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840195 YUXUHMVPQBSCRZ-ZHRRBRCNSA-N 449.504 0.760 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)c1 1838906099 PXIPDNRSDLVLFG-REWPJTCUSA-N 435.484 0.723 30 20 ICED COc1c(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1839394031 QGZZRLQFESOHDH-JOCHJYFZSA-N 430.457 0.470 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1)C(F)(F)F 1839891566 LRSSLWIZBOOXAH-GOSISDBHSA-N 430.427 0.846 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)nc2s1 1840158428 LTAOHEZTRNGRFL-KPZWWZAWSA-N 439.563 0.416 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1840174276 SEXDNLQVBXMERE-HXUWFJFHSA-N 435.433 0.955 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5CN4)C3)C2)CCC1 1840813797 WUTSLQLAPMBLCU-RDPSFJRHSA-N 438.528 0.851 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314196 ISXOIGQHCOULJM-CPHRPENTSA-N 434.493 0.788 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846371351 OLCHNZBJULWKKT-CHWSQXEVSA-N 429.539 0.965 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847802186 OHXKWKGRKSVASX-JQFCIGGWSA-N 434.456 0.425 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccc(C(=O)OCC)cc3NC(=O)[C@H]2C)C1=O 428178086 RDGYSGVGKVJUAE-LLVKDONJSA-N 428.401 0.514 30 20 ICED COC(=O)Cn1cc(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 441531959 VKZMAURJOZHFLQ-UHFFFAOYSA-N 440.420 0.603 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccn1 477675957 HZPQGUAMSCYXKQ-UHFFFAOYSA-N 448.487 0.788 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480949871 IBCPHQRBMIHYIM-OAHLLOKOSA-N 442.522 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)CC1 491056035 XWYVIOKAQIORJW-HNNXBMFYSA-N 430.505 0.794 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 498667662 OWMAKONTRCXLHJ-LLVKDONJSA-N 428.367 0.489 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)C1=O 505405223 XCCYKSUASYJYLC-BBRMVZONSA-N 430.436 0.971 30 20 ICED CC(C)N(CCCNC(=O)CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513979274 AKQRWBADHQMITJ-IIBYNOLFSA-N 447.561 0.508 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 515280490 FISZGHNONYSNFO-UHFFFAOYSA-N 445.501 0.373 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)NC)Cc2cccc(C(F)(F)F)c2)C1=O 523968403 RSDBQFSFDUVZAL-UHFFFAOYSA-N 440.378 0.757 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 539429312 DXTYRCJVMIYPFU-QAPCUYQASA-N 428.532 0.617 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)CN1CCOCC1 542074183 YXGWUTPODRGDPC-HXUWFJFHSA-N 446.895 0.535 30 20 ICED N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 545492666 KAYALYVTCVRDDQ-UHFFFAOYSA-N 444.473 0.879 30 20 ICED C=CCn1c(Cc2noc(CN3C(=O)NC4(CCCC4)C3=O)n2)nnc1N1CCOCC1 545645236 JWNQPSHCYKZKKU-UHFFFAOYSA-N 442.480 0.639 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)C1=O 551054642 FGAARJIHQQUXFX-PMACEKPBSA-N 428.533 0.730 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 552940009 FULSZXYWYOZRDU-NSHDSACASA-N 447.448 0.687 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 565740640 UCIONQYKUNIXHD-QEJZJMRPSA-N 435.502 0.854 30 20 ICED CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 568911898 PLXRZQDAPFDTTI-FQEVSTJZSA-N 434.562 0.338 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)CC1 587659188 JBPKSOWGEWOOKM-IBGZPJMESA-N 439.564 0.323 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3nc(C)nn3C2)cc1 589244678 ZMQBUDJTNSJOCC-HNNXBMFYSA-N 432.506 0.463 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2OC)c1=O 603792679 IPCQSUROVVSDPP-UHFFFAOYSA-N 429.498 0.379 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)C(=O)OCC)nnc12 611857795 FSYUNZQHTRTOBV-CYBMUJFWSA-N 431.474 0.363 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669814817 PNWNQVOPQXWOIM-QGZVFWFLSA-N 434.522 0.905 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 726877247 CBPFKGGRENXMKU-UHFFFAOYSA-N 443.580 0.654 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CC(=O)N(C)C 733163593 OTVUZLWUOJPEQN-INIZCTEOSA-N 438.550 0.847 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CCOC 739830364 RUXXICCXOHRMPU-UHFFFAOYSA-N 448.888 0.923 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 741218876 SQLCKLJGWQFVPD-HXUWFJFHSA-N 440.544 0.588 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 745355641 DNTGISKMTJOYSH-HIFRSBDPSA-N 439.538 0.978 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 745813696 PTGKRXSSJIVQBO-MVZUJROASA-N 427.461 0.492 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 747993423 LITLWKHMGQEZKC-UHFFFAOYSA-N 440.500 0.394 30 20 ICED N#CCCN(C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 753663388 IENMAGLFUQCKSW-MRXNPFEDSA-N 446.485 0.642 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 758425874 HQHJEDHQLIQICK-MJGOQNOKSA-N 443.529 0.561 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc[nH]n1 772203793 PFEGNECDPBSJJM-GFCCVEGCSA-N 437.478 0.479 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccsc3)c2=O)cn1 772333914 YALRKKJWYKAGJZ-UHFFFAOYSA-N 427.511 0.523 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCc1ccc(C#N)cc1Br)c(=O)n2C 778086236 KTJUZEKIEHSCJZ-UHFFFAOYSA-N 432.234 0.811 30 20 ICED C[C@H]1CC[C@H](C)N1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785727776 JFVXMULSVYUULO-IRXDYDNUSA-N 448.545 0.807 30 20 ICED COc1ccc(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1C#N 786654543 JIYSPOGGODMABG-UHFFFAOYSA-N 441.488 0.944 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 787755211 JZVULSRPIGEKHR-UHFFFAOYSA-N 426.399 0.398 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc[nH]n1 789954691 NBTNODZLLLJQEX-UHFFFAOYSA-N 427.417 0.981 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 791969715 VSMMIOBDRAPNIC-UHFFFAOYSA-N 436.511 0.294 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(=O)N(C)C)c2=O)cn1 794610142 YVTVHRZFRAWYOH-UHFFFAOYSA-N 427.530 0.803 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)cc2Br)c1=O 795198077 SISLSUCUAPLRAW-UHFFFAOYSA-N 432.299 0.563 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275258 IFASTBXPXMNCIV-SJCJKPOMSA-N 426.451 0.859 30 20 ICED C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 798362415 GKBROECTDMWIRQ-MKKJUKBOSA-N 436.559 0.928 30 20 ICED C#CCC[C@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 799200086 YQTQMXZEILJAAA-HNNXBMFYSA-N 429.458 0.974 30 20 ICED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 802143744 ZMBGKYFCXJVXKB-MGPWXQLLSA-N 435.506 0.569 30 20 ICED CN(C)CCN1C(=O)C(=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2ccccc21 807942557 AXGXMDVMEYVLED-UHFFFAOYSA-N 432.462 0.967 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)ccc1F 808137010 NMJVPBKUSCCRPZ-QGZVFWFLSA-N 438.525 0.715 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 811833768 RKKWHEMSSXRGMC-LLVKDONJSA-N 435.483 0.943 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 899868169 BUBKOQJXKOUJFP-GFCCVEGCSA-N 440.478 0.209 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)COc3ccccc3)CC2)o1 915364941 VTFDFCAPMYDYRD-UHFFFAOYSA-N 441.444 0.242 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1161468794 SEJKQRHTZYRKKJ-UHFFFAOYSA-N 432.502 0.791 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)N(C)C 1288783125 ZLVHIUGJBLWDAS-AWEZNQCLSA-N 433.538 0.875 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1303458291 VOLBYKCTMPUIDV-UHFFFAOYSA-N 448.535 0.640 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316538689 LIVUNAZGRDKHLJ-FZKQIMNGSA-N 437.909 0.877 30 20 ICED CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1360292892 UDAQMULARVWEOZ-KRWDZBQOSA-N 439.524 0.705 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1360681275 PBMBURLFZKPHIP-GRDNDAEWSA-N 429.522 0.051 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCOCC1 1510216632 CIRSAHFGQDTXMF-PBHICJAKSA-N 437.570 0.491 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CN(c4ccncn4)C3)CC2)cc1 1587769548 KUVHRDVAVKDGSN-UHFFFAOYSA-N 426.502 0.754 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1709842829 MIBFILQNUCTQES-UHFFFAOYSA-N 425.493 0.638 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n(C)n1 1725851285 ZARMRVDCMLBYAA-YOEHRIQHSA-N 447.569 0.155 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1731004385 PJAMCKFSCSIFHA-INIZCTEOSA-N 437.547 0.875 30 20 ICED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CC1=O 1767083541 GICPDXXWWCXSMH-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380852 OQLMFZNRSAGSQS-JXFKEZNVSA-N 435.550 0.415 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780336089 ZXJNDKWSXXDQOB-FQEVSTJZSA-N 440.416 0.100 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1781786021 UAZSQBWYMSUSEB-HSZRJFAPSA-N 448.483 0.450 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1781967340 XHEVCOPEDLYLQM-OAQYLSRUSA-N 441.419 0.715 30 20 ICED COc1ccc(COCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015725 WLPKMDFGYUJPKP-AUSIDOKSSA-N 444.484 0.814 30 20 ICED Cn1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)cn1 1782586234 XYUSKCFGSQCATB-XMSQKQJNSA-N 430.553 0.758 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1783454415 HGXVZENKOHAFIO-HRAATJIYSA-N 448.520 0.756 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604582 XYGIRHHPKDYZGQ-FHWLQOOXSA-N 433.530 0.515 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1785577022 KEUFIPAGBODDOM-LHSJRXKWSA-N 447.492 0.475 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512397 IRIJWJIGBDLIJM-KGZLNUQFSA-N 448.545 0.914 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1CCN(C)CC1 1788603977 FCKGCCYJPGJFIP-ZLRHPZECSA-N 448.612 0.074 30 20 ICED C#CC(=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 1790789275 YLJMSMHFHJDNRN-RZFLPCETSA-N 435.521 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(OCC)OCC)[C@H]2C1 1791417419 DEKOCPYUSKXSOQ-QJFPOAGESA-N 437.537 0.614 30 20 ICED O=C(CCc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791661184 PYAOPQIHNVCKIO-QOOMZGBNSA-N 428.537 0.861 30 20 ICED C#CC(=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 1792450255 BBPVSVCHOHCGDI-KMWNMMNJSA-N 435.521 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(-c3ccccc3)n1)C2 1792489712 KNCUYKJCYIBGLL-ROAZTASUSA-N 449.511 0.934 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)c1 1792831921 ABVGEDFRXNGVEH-OPVJXMOQSA-N 445.483 0.832 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262616 CNDHJTMFQSEMGJ-MHXAIHSWSA-N 441.503 0.876 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793312869 ZIVCKJHBINTYKO-JCECYMMASA-N 427.567 0.672 30 20 ICED 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](CC)NC(N)=O 1796760681 IXUPZDISHDZYOS-JJTUDDRGSA-N 449.552 0.988 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797171814 VJFYYECDBCIEFM-VZJWBNGJSA-N 446.573 0.884 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1797713733 XMDPYFRTGDWCLO-UONLAYADSA-N 443.500 0.884 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nn1 1797741259 VDYVOMKHYQQNNV-ADUKNNKPSA-N 430.509 0.550 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498216 KGVKKDOQFVFPSN-ZTENYAIWSA-N 442.476 0.094 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800242944 AUVXKLOUAAJJCY-KBMWQNTOSA-N 428.533 0.564 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804192882 RBOIGTKHWQHHHO-PKOBYXMFSA-N 447.561 0.368 30 20 ICED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695157 JNGXQDCDUBDHFY-HSPCJJFQSA-N 428.537 0.282 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1808199295 SGFLYTBOLYDDLW-SOLBZPMBSA-N 431.493 0.887 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809659694 ZOCAFAPVGVHWHM-UHFFFAOYSA-N 443.485 0.224 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392094 HGQJDDLEOOODPZ-YJBOKZPZSA-N 438.444 0.144 30 20 ICED COc1ccnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1OC 1812877041 AVTYZLQUGYNLDE-QRWLVFNGSA-N 438.440 0.901 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](C)S)[C@@H]2c2cccnc2)c(=O)nc1O 1814037183 KSYKYJDYHUUHAE-JLJPHGGASA-N 431.518 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)[nH]n1 1814438987 ZRZFGQMEPGYEQI-ALLYREJPSA-N 428.493 0.881 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](NC)C(=O)O)n[nH]1 1817373338 WIDMVXWKGWCJGN-LSDHHAIUSA-N 435.481 0.974 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886478 IUYPOAMGMJMTKR-VAWPVJSFSA-N 447.517 0.418 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825675316 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COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1832093423 AJXSGRNJALRFPS-QFIPXVFZSA-N 430.457 0.091 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833482473 NKBGSYIBPLZXBB-SJORKVTESA-N 441.594 0.277 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccno2)CCO3)c(C#N)c1 1834153359 NHJKWAMJTVCGCB-QFIPXVFZSA-N 440.456 0.868 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835239697 CXORPKIKGLHVBP-QHCPKHFHSA-N 445.516 0.610 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4ncccn4n3)CC2)CC1 1835540064 IQZOXLNFRICHOK-QGZVFWFLSA-N 438.532 0.953 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)o1 1836024794 GVACEJOCFIZGFA-WHEDMDOKSA-N 431.449 0.089 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1 1837446950 KXCRHKSGBKZVTE-XQLDGGAHSA-N 431.537 0.977 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccn1 1837938859 XDXABZYVDZYUAG-PIVQEWKSSA-N 446.504 0.989 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(C(F)(F)F)n1 1837957869 QCSWVIVEOGTWNQ-IBGZPJMESA-N 440.422 0.922 30 20 ICED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403647 CFHJHDRAEWRWPL-CPOKCXMASA-N 438.525 0.650 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906435 IWLQDZSTFMCHQY-WMWRJIBUSA-N 427.457 0.748 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCCN1 1839122448 PIGHSRQAKUPWJU-FYYLOGMGSA-N 433.549 0.284 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839174165 JPJHMUVYLJFRIF-OAQYLSRUSA-N 434.445 0.219 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839238879 FEDNROLAFXRRRW-VGOFRKELSA-N 438.488 0.675 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1840044992 LWNHYTGWFVEJLG-JOCHJYFZSA-N 438.440 0.235 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1840479530 ZVWOSDYKGJNWEG-KKSFZXQISA-N 439.476 0.070 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781724 JAXUVSWFRPDSPU-ZHRRBRCNSA-N 436.480 0.979 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)CCC1 1840814636 TZRCKSLEHKPTMI-NRFANRHFSA-N 428.445 0.574 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840854975 SXAZHKCMJTZLQV-REWPJTCUSA-N 442.516 0.933 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843082528 APUOOZYSWRKEHN-QVKFZJNVSA-N 430.509 0.951 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843423350 OYXZKCQSZZKDMN-CVEARBPZSA-N 449.504 0.598 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843423351 OYXZKCQSZZKDMN-HOTGVXAUSA-N 449.504 0.598 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CO/N=C(/N)CC(C)C 109315915 HVLLTNHDMKNGAC-UHFFFAOYSA-N 428.511 0.990 30 20 ICED N#Cc1ccc(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)nc1 409660438 IFIRQDIDNQHTTD-UHFFFAOYSA-N 439.453 1.480 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCCNC(=O)c2ccc(Br)cc2)CCO1 410108580 XDCNZQSYUFKBPL-AWEZNQCLSA-N 431.312 0.628 30 20 ICED Cc1cc(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 428795149 VYNRUOLJLLVKCB-SJORKVTESA-N 444.517 0.910 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)n1 429801800 WOWIAFZXHHZEKR-CQSZACIVSA-N 434.294 1.465 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 433319709 PLNRIHSZRFUQAQ-UHFFFAOYSA-N 432.506 0.450 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 437064958 QLEQRKLVHCXLJC-WBVHZDCISA-N 428.493 1.383 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)c(F)c1 437218419 RRKPFOPFRQTOBM-UHFFFAOYSA-N 430.421 0.958 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 460621397 SIONRMXFMXBMDN-MRXNPFEDSA-N 433.476 0.905 30 20 ICED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465423231 QPGHIWURBLOUNX-AWEZNQCLSA-N 438.444 0.576 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 480969639 IMBTUYLNJQCRBQ-AWEZNQCLSA-N 443.551 0.765 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)COC)CC2)c(C#N)cn1CCOC 481368611 IFKVNTHJLZDPLX-UHFFFAOYSA-N 435.481 0.942 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489422765 NJIYUNUHZDAYSI-CVEARBPZSA-N 436.534 0.565 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 500015031 ODXKJIKLVOPOQN-KRWDZBQOSA-N 438.525 0.377 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 508661463 JQTXKPKPEHWCPE-INIZCTEOSA-N 436.534 0.567 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCO3)c1=O 512767408 QXEJMVKLZHRVBH-UHFFFAOYSA-N 449.492 0.626 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCO[C@@H](C#N)C2)c([N+](=O)[O-])c1 520684356 HILILKKVJHFHGP-ZDUSSCGKSA-N 426.451 0.755 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(F)c1 527121494 NWEFCBWXPJQYON-UHFFFAOYSA-N 444.432 0.837 30 20 ICED C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 532711506 OVNOYXFDOLDCNZ-KFKAGJAMSA-N 438.525 0.548 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCSC 532781009 HRJDDOUUQPNGDK-UHFFFAOYSA-N 439.509 0.817 30 20 ICED CC1CCC(NC(=O)CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)CC1 540349201 XAAUDQUFKKHDBZ-LZBANZJXSA-N 446.640 0.991 30 20 ICED CC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1nnc2n1CCCCC2 552988026 FSNWYHYPDJDVEE-AWEZNQCLSA-N 427.513 0.840 30 20 ICED CC(=O)N1CCC(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 553551146 RIOYYOYRIHUVGA-LJQANCHMSA-N 425.489 0.545 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)nn1CCC#N 560203824 PZWTTWQMDOFODU-UHFFFAOYSA-N 444.517 0.879 30 20 ICED CN(C)CCN(C)CCCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 569033379 NRGSABSAWOHHJR-UHFFFAOYSA-N 429.500 1.163 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 579040193 GWOUIPLSAAWXPH-CVEARBPZSA-N 437.422 0.502 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 580384275 NLHXGUUJDZKATP-QGZVFWFLSA-N 442.497 0.633 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 582372902 UPPGZCVPOLMJDB-HUUCEWRRSA-N 439.586 0.254 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CCN(S(=O)(=O)C3CCOCC3)CC1)CC2 582714089 HMDONYHONNNNRB-UHFFFAOYSA-N 446.529 0.537 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1 584084341 KBJVVIISPCZYMP-NSHDSACASA-N 426.355 0.212 30 20 ICED CO[C@@H](C)c1nc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 589098360 BYDMGQWHBVDVMG-ZDUSSCGKSA-N 431.522 0.729 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603985730 BCKHPEBURLFQRA-AWEZNQCLSA-N 425.510 0.685 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cccc1-n1cnnn1 604218651 BUWWLDRGPVLIDC-UHFFFAOYSA-N 447.459 0.995 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604269832 FGSXQNORABESIM-UHFFFAOYSA-N 444.582 0.748 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)ccc1F 609220862 MFYQYYHLTKDILD-UHFFFAOYSA-N 436.468 0.984 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 675413271 ZNJRLJCAXILSOX-HZPDHXFCSA-N 436.871 0.946 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3F)c2=O)cn1 732561086 GIPRYCYDXYSUQY-UHFFFAOYSA-N 441.488 0.520 30 20 ICED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 733204393 QNIPPHBQNXWRRC-INIZCTEOSA-N 431.536 0.673 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)NCCO)s3)C2=O)cc1 745146500 QWGACSLUVVMQFH-CQSZACIVSA-N 435.483 0.853 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 748526523 KQWDAFAIXOSVDN-RCCKNPSSSA-N 447.473 0.415 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 749634685 VUVQPHUMTODDCW-INIZCTEOSA-N 425.449 0.874 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 750391037 DPUPDGPCHIGUEG-AWEZNQCLSA-N 428.449 0.065 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)s1 752190116 HPMVVJLJHKHQKK-UHFFFAOYSA-N 443.598 0.977 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 755935829 FMTKDTYMOXFEIS-SFHVURJKSA-N 438.532 0.908 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758060484 CVWONHPLFOFVPF-UHFFFAOYSA-N 438.553 0.733 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 771239705 DCAMPXWHKMDXAN-CQSZACIVSA-N 437.435 0.951 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 772585882 BBTJARSFVKQGLE-KSSFIOAISA-N 431.518 0.931 30 20 ICED CCn1nccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 775018608 GJNGTWDNCDUZLG-UHFFFAOYSA-N 431.474 0.465 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)cn1 781104528 WTFHVHGJFIDEIM-OAHLLOKOSA-N 446.533 0.122 30 20 ICED CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781517706 QFRSJUXGHVNERV-NXVVXOECSA-N 436.371 0.723 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 781593696 JSPPQPMPHBSVSD-HNNXBMFYSA-N 433.396 0.762 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784184193 CJYOOBDECLNVNA-NHYWBVRUSA-N 429.882 0.473 30 20 ICED C#CCNC(=O)CN1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 784336382 IMNBSSRCCAUBER-INIZCTEOSA-N 428.302 0.695 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(F)c1 786913582 VVWQOCIUQSRVLY-UHFFFAOYSA-N 439.494 0.975 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(N)nc(N(C)C)n1 828101632 SOZIRKZMVBPHNE-CYBMUJFWSA-N 447.521 0.861 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 852998693 UPJIQULOCGQQGK-AWEZNQCLSA-N 436.486 0.555 30 20 ICED N#Cc1ccc(NCCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1 915194315 KQOWLJPKWXOYQQ-UHFFFAOYSA-N 435.531 0.806 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450437 HOULJZIFONWJJJ-UHFFFAOYSA-N 443.279 0.909 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142749351 VZLCZIGHDMQWSF-HNNXBMFYSA-N 449.533 0.258 30 20 ICED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1314870845 VRZXTLDTILYCDR-UHFFFAOYSA-N 447.565 0.477 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1315537249 LDIWVFWJXDSZBQ-RXVVDRJESA-N 428.493 0.661 30 20 ICED CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1359639142 SYUJAMWQTSJQFW-INIZCTEOSA-N 446.533 0.850 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517623954 BQGQBCMPMMMRML-MRXNPFEDSA-N 445.549 0.679 30 20 ICED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1518710185 YPOHKKHCVPIJJC-CKEIUWERSA-N 430.506 0.335 30 20 ICED N#Cc1cn(CCNC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1585295719 JVTYDEFVNOTVHM-UHFFFAOYSA-N 430.896 0.802 30 20 ICED CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691323123 OZBBOSYPSKJLKN-KIUMHBGESA-N 433.582 0.953 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1711222387 VDPOWRLGUQIXTP-UHFFFAOYSA-N 434.522 0.344 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1741126928 VXSROGLPLJVMIY-HUUCEWRRSA-N 427.575 0.595 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777782400 KXLNPGXTXRORPP-KSFYIVLOSA-N 442.520 0.758 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779103876 CPWCYNGJYZAZTD-SIEAFYRMSA-N 436.425 0.290 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395140 LJTXHNVXQUMHDJ-JBYIUTFZSA-N 448.564 0.646 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1780168458 HLNQKQIATKNMME-JOCHJYFZSA-N 428.489 0.343 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1780739560 NSALBYIHYDBFAK-WZONZLPQSA-N 445.516 0.872 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781051223 OYAWITNTYDEEJE-DSADDTOYSA-N 444.532 0.076 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1781692794 CUUQDEWEFSEJKS-GSHUGGBRSA-N 435.521 0.769 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783662251 XLJSWCQMSNLMHO-NQIIRXRSSA-N 428.526 0.477 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)c(O)c3)C[C@@H]21 1784474914 QFGNUYWENWBVHJ-DBSRCYSRSA-N 430.501 0.961 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1784478645 DFJISXOPVSGSDX-DFEOGRTESA-N 430.505 0.153 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C[C@@H]21 1784483661 FJZXCFGWDMUECW-OWSLCNJRSA-N 425.489 0.669 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n(C)n1 1785614973 NCCWSVQEENKICV-LNLFQRSKSA-N 444.532 0.721 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 1787637262 NJLOFURQJDQWBF-BXWFABGCSA-N 426.477 0.636 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788754937 UUVAIWXPWUZMCY-XWSJACJDSA-N 431.533 0.355 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1789402085 KJWSIRWUQVGWPQ-ZOBUZTSGSA-N 434.493 0.531 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1789890285 LAFQAALRKAWGLO-QZWWFDLISA-N 444.550 0.156 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1789891756 QCDQYTBRLNLJAI-KKUMJFAQSA-N 437.522 0.386 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOCCOC)C[C@@H]21 1791278034 HGZVZDRTJBAQNO-UFYCRDLUSA-N 442.553 0.629 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791542455 JFQKLTUEWRYDFG-WJMWBRGCSA-N 443.548 0.630 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1792257189 AZCZDBWVLPEFML-ICUGJSFKSA-N 436.553 0.478 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1O 1792389065 BMDBRRCCULHLRV-YWVIFJGQSA-N 435.912 0.926 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1792969841 QVDREFHFZGXWFP-GXKLVIIXSA-N 431.489 0.877 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1793353705 ODBBMXWPQOVHSA-RMRDIRSESA-N 436.530 0.884 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794226218 VYQNTHRCDPMLMW-IVSAIRAKSA-N 448.524 0.488 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=C)Oc1ccccc1O 1796426506 CNMFZLLXKCXTJR-JABISNGYSA-N 441.484 0.733 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797738731 KIRRFBHQRRHPMD-RCJHGTSTSA-N 449.504 0.454 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742796 BVOXJLLVVBVYIB-YMJAIMFLSA-N 430.553 0.641 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)cc1 1798920996 UIYSCOQUJRENEY-RMFSNUHRSA-N 435.484 0.910 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805279019 JYOBVHFAUNTUCJ-HNNXBMFYSA-N 425.526 0.998 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)c1 1811407770 OIZLJOKIJMAGEH-OXJNMPFZSA-N 435.488 0.765 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813227337 QYVVXPHQOFDLCE-KSEOMHKRSA-N 428.533 0.932 30 20 ICED C[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)n1cnnn1 1813471203 ROHYGJFYDWIBCW-JRPCPSOZSA-N 439.524 0.807 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1815197063 FQRKNJVYYZRAPZ-DOMZBBRYSA-N 438.448 0.485 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681932 AXSZFOUSBSFTGB-KDIOZZRJSA-N 434.482 0.271 30 20 ICED Cc1cc(NC(=O)CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)no1 1818095363 IMOSVQNAFILZQC-ZDUSSCGKSA-N 428.405 0.815 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830468342 JQJBPTMZMWMQBC-OAQYLSRUSA-N 443.891 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1831393341 XFEUOYRLDJKQTR-UZUQRXQVSA-N 444.532 0.882 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1831393933 SFLMBPBXIWACIK-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831419938 RRMDUGFOSHWGJL-QRWLVFNGSA-N 438.550 0.827 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CSC)CCO2 1831527866 KYLYWHSYFVNXJN-IZRJCCQOSA-N 439.578 0.690 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832679832 JNXLUGSOQJDTGF-LAUBAEHRSA-N 434.493 0.718 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NCC=C)CC2)CC1 1833074260 DIMBGEWKFZJARO-MJRGOJFPSA-N 430.549 0.455 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1833465688 PHZXAJHEIQESQV-AVRDEDQJSA-N 441.576 0.561 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604565 FHJRFTOFXVSOSZ-LJQANCHMSA-N 436.509 0.357 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834767014 KDKIZONNLMSLBX-NRFANRHFSA-N 449.529 0.393 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835712856 HTPQUGZQCPWHOS-FQEVSTJZSA-N 436.597 0.463 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)NCC(C)C)CC2)CC1 1835716144 YTUKALKURMAQLX-LJQANCHMSA-N 436.597 0.903 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846511 JQJWJAPRSNXVCO-FZKQIMNGSA-N 425.511 0.596 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147523 PHLOCNHNHIMPNY-QMHKHESXSA-N 443.500 0.591 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)c1 1837152625 VMUPYSBXQSISCK-HSZRJFAPSA-N 449.467 0.514 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837530075 HYBZFUCNSPYBKV-XGVOGHQPSA-N 448.476 0.386 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561447 LTLRQVMFHRFHCY-LWOHLBADSA-N 427.461 0.567 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837630243 LFZXWHGEXAMMJZ-IIBYNOLFSA-N 447.492 0.277 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838120940 OENRUJZKYUYPLT-MGPUTAFESA-N 431.518 0.656 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C)C3)C2)c1 1838580479 FLHFZMOLBJRMCP-JOCHJYFZSA-N 430.505 0.589 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952746 HIAUPEMJSQXLEC-QHCPKHFHSA-N 436.468 0.850 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCO2 1839129810 MEPUXKYCNIFLGP-JTSKRJEESA-N 435.521 0.723 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839227245 OCTJPMAWPSDFHH-CSODHUTKSA-N 448.524 0.534 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1839453724 AHOLPEGOKXSFDV-QFIPXVFZSA-N 438.488 0.619 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840130862 XVZXDUMESZVNQL-FGFLLGFSSA-N 439.509 0.587 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c(O)n1 1841891041 ZWSBJXLRCWBEDC-UHFFFAOYSA-N 427.461 0.275 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197067 OYNDQZACVSQBSQ-OYHNWAKOSA-N 431.489 0.925 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)c(=O)nc1O 1846982691 FAIFGUVSEUEFOM-UHFFFAOYSA-N 437.456 0.411 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 24736398 STQDERQTPSCWNI-AWEZNQCLSA-N 440.522 0.410 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 26023218 CFJDJXWKOITUFM-GJZGRUSLSA-N 434.493 0.382 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)OCC(=O)N2 429842614 HCBMDKVZLLOGFK-GFCCVEGCSA-N 444.473 0.587 30 20 ICED CN(CCC#N)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)CCC#N)c1ccccc1 429909788 NBQRSWBOVCBXHF-INIZCTEOSA-N 428.540 0.087 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 433747239 LEHWKQLLBVHAFK-UHFFFAOYSA-N 432.546 0.940 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445184899 FCDWYATYRJLYKV-GDBMZVCRSA-N 431.836 0.861 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 447394341 QGVJHOLULPLOOL-QRVBRYPASA-N 436.578 0.803 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 464951290 LUIYBHLORYYGEQ-OXJNMPFZSA-N 431.566 0.776 30 20 ICED COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465414983 HDWDMPFXQVNBFK-LBPRGKRZSA-N 426.408 0.950 30 20 ICED COc1ncc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1C(N)=O 475227650 ADGQZWOBHSPVII-UHFFFAOYSA-N 426.408 0.487 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 481199507 LMBBQUDSIYEUQM-UHFFFAOYSA-N 428.468 0.074 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503120474 ULBJMGDIGACXCN-MOPGFXCFSA-N 427.505 0.938 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(C(=O)NCCCO)CC3)C2=O)cc1 508648785 OJFDFKJEUPFMED-IBGZPJMESA-N 427.505 0.974 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 522284151 MZBHOWDCSFUEFP-UHFFFAOYSA-N 447.944 0.962 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCCc1[nH]nc(N)c1C#N 534099110 FZDHHLBDXBWPNQ-GFCCVEGCSA-N 431.522 0.353 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1C#N 535510243 HCQPZRJMBSHYDG-UHFFFAOYSA-N 448.505 0.512 30 20 ICED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 537259715 OAQFAQHVKQGMHB-OAQYLSRUSA-N 444.555 0.677 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)CC2)cc1 538223371 KMAWAQOIIDMSGD-INIZCTEOSA-N 429.506 0.878 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 552317077 BVQFJFVFUXDNFJ-UHFFFAOYSA-N 447.543 0.670 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC(C#N)(c4ccccn4)CC3)cnc21 554543214 QKLACAFDXBLBGV-UHFFFAOYSA-N 426.458 0.675 30 20 ICED Cc1c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nnn1Cc1ccccc1F 559765364 PTAYAAWWKDHRDB-UHFFFAOYSA-N 439.455 0.981 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 561237103 AXIBDPZFTDVDOD-PJFSTRORSA-N 433.490 0.204 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)n1 569714237 RVYRXKMWYSOKPL-UHFFFAOYSA-N 435.488 0.150 30 20 ICED CN(CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC(F)(F)F 569875777 AAVLCXOSKMAVIH-HNNXBMFYSA-N 425.411 0.780 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 579882100 QLXOMBCQAHDOHA-IBGZPJMESA-N 435.488 0.700 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589161918 ZZNCUKGNCKYKPD-UHFFFAOYSA-N 447.582 0.886 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(OC)nc1 608883750 DMDYAEAAHIGIRT-UHFFFAOYSA-N 439.522 0.873 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H](C(F)(F)F)C2)CC1 610079203 LLIUPWZOOXQAHN-INIZCTEOSA-N 446.451 0.654 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 611611962 ZAQLZGOSTBDOAH-ROUUACIJSA-N 426.452 0.879 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)(F)F)c1=O 613083522 ZWUCUABYDNLQRS-UHFFFAOYSA-N 439.415 0.707 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 617091899 SPRDAMWZYRDWSV-IBGZPJMESA-N 433.468 0.703 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 728532534 ALBBVTWADXOSAS-UHFFFAOYSA-N 429.498 0.761 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)CC1 728536384 YJKNUFXUGDQWKK-GOSISDBHSA-N 446.573 0.757 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 728573875 YVNULTOWPWKCJS-FQEVSTJZSA-N 440.544 0.878 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 731863454 WQVYFZCSESEAKL-APOCOGJHSA-N 441.444 0.105 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@H]3C)n(CCOC)c2=O)cn1 732560927 CMDWQCHWQISGAV-QAPCUYQASA-N 443.573 0.971 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCCN1C(=O)CNC1=O 733424207 SOCCYWBGSQZHEA-NRFANRHFSA-N 426.429 0.637 30 20 ICED CN(C)CCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 733888873 IEZJIXXXFURELL-CYNURGJPSA-N 435.550 0.848 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735472797 FDIJWCKIGFMPFU-INIZCTEOSA-N 436.534 0.649 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)c[nH]1 753356747 GUEVRSAXVWBCIM-UHFFFAOYSA-N 428.514 0.806 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 758077156 RWBCGCCFFVMLTB-UHFFFAOYSA-N 447.438 0.924 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 758094092 YLHMSLDOJIOEEM-OAHLLOKOSA-N 443.909 0.865 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CC(OCC)C2)cc1 768071368 ZIJQZSFSGAHPQO-UHFFFAOYSA-N 435.546 0.598 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(-c2ncccn2)n1 768221656 SUARVIBFRJCYTO-ZIAGYGMSSA-N 440.464 0.785 30 20 ICED CCOC(=O)c1nn(C)cc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 769793227 YQWXDOSAUNXXRO-UHFFFAOYSA-N 435.510 0.374 30 20 ICED COC(=O)Cn1cc([C@@H](C)OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 770705114 KDTKPVOSQOXDSU-DOMZBBRYSA-N 440.416 0.832 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc(S(C)(=O)=O)c1 774169961 WHLJWEDJNVRJOT-UHFFFAOYSA-N 445.457 0.310 30 20 ICED C=CCOc1cccnc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 775114351 VRITXKCEFIUWGN-HOTGVXAUSA-N 438.502 0.998 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1CCOC 782601744 SAHIVBJPFHCVBY-UHFFFAOYSA-N 434.543 0.156 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 783478275 CHNMCBMVWYBRNC-FQEVSTJZSA-N 446.573 0.412 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)CC2 789987271 RXHOGYKLQOWWJB-UHFFFAOYSA-N 449.489 0.581 30 20 ICED C#CCN=c1nc(N2CC[C@@H](c3nccn3C)C2)[nH]c(N2CC[C@@H](c3nccn3C)C2)n1 804578825 KXIPFKAVBQLOTR-IAGOWNOFSA-N 432.536 0.793 30 20 ICED C#CCN(C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCCC1 806270459 UAEYJSHMUARGBG-SFHVURJKSA-N 440.548 0.803 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)n1 807689054 CIWHJSVGDHQSNV-GOSISDBHSA-N 439.516 0.895 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)n1 808033073 GJPJWCZYTALRMZ-DLBZAZTESA-N 433.509 0.474 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 809308095 GCLIHKQKYKYSDF-ZWKOTPCHSA-N 437.493 0.346 30 20 ICED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916871067 PDBVFGCZJXURDG-SFHVURJKSA-N 437.518 0.961 30 20 ICED Cc1nnc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1C 1300162675 LBPLRKZJPDVMKA-ZDUSSCGKSA-N 431.522 0.289 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1304912165 OZQSKPSQFAPONJ-OAHLLOKOSA-N 437.504 0.922 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1360682247 YPIAXWYPHCTKPC-QATFEAOGSA-N 432.547 0.631 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1552892914 OAONSXOKPACLKD-BZUAXINKSA-N 440.570 0.817 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1696973774 ODCCJMCDPCMOHL-LJQANCHMSA-N 439.520 0.776 30 20 ICED CS(=O)(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1698306183 ZSNHYMFYLPVIPF-CYBMUJFWSA-N 438.535 0.433 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1726637431 JAPVJXPPUNKCNH-CQSZACIVSA-N 431.522 0.375 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCOCC1 1751930270 KZXGTJDCODNUHW-HNNXBMFYSA-N 425.497 0.212 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1765671854 IOEXFMRSOPKHKA-QGZVFWFLSA-N 445.549 0.859 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1779267554 FZNQWBTUMTYAKA-HTAPYJJXSA-N 431.489 0.749 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1780741035 IVTTVCZJEUKBKX-GSHUGGBRSA-N 435.521 0.536 30 20 ICED CC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169959 HHZRVRLBKDHTEF-JOCHJYFZSA-N 448.520 0.946 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1781797182 GGEWOHVWZUHPMB-FZKQIMNGSA-N 428.436 0.264 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ccc(F)cn3n1)C2 1782015249 FOYGXOXUGLEIHV-JLTOFOAXSA-N 429.408 0.084 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c1 1783286337 HZLSSRZDYRRAMK-DYESRHJHSA-N 429.477 0.363 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783340435 FMEVBAUWHBHNIM-IOTWFPJFSA-N 445.516 0.949 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(OC)c3)C[C@@H]21 1783531152 FFNJWJBPXQXADY-PKTYMYEJSA-N 428.489 0.542 30 20 ICED CCOC(=O)N(CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Cc1ccco1 1784305014 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0.997 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796747516 XGVNXJVXAAAQJT-GUIRCDHDSA-N 439.310 0.424 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797784233 PVDBZUPHXZQNEF-CUZGCRONSA-N 447.532 0.804 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797788527 LNABHRNDHWTBHS-WPVAHCMFSA-N 436.505 0.839 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1797816444 KMPITVLIFVSIBH-QDLITJCTSA-N 442.476 0.690 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1799395349 NEGDEBDGBASFOE-JBXGNFEISA-N 442.513 0.220 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680556 OHJPMAJMHKDSJR-YXPYIKCWSA-N 429.539 0.338 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2)N1CCN(C)CC1 1799967293 BDUFHXSAEAEMNT-ZPNJQJDCSA-N 435.569 0.790 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800296624 CTIQWWXSXLMIHO-SSTJLMRISA-N 440.544 0.761 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)c1ccc(O)cc1 1801058203 OEOBNVZYVQAXAJ-PRHHBONVSA-N 427.501 0.744 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1801765284 PDXZZASYLDZFQM-PGPONNFDSA-N 442.516 0.167 30 20 ICED Cc1nnc(CCC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)s1 1804564391 HRLBQLLYSJCMMY-FOIQADDNSA-N 427.486 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CS(=O)(=O)CC)C2)CC1 1805964863 MHIHIJINUGDWTI-SREVYHEPSA-N 425.551 0.511 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)N1 1806815377 KJVGXGAJGKQNBA-JYZJQWRGSA-N 443.504 0.895 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)cc1 1807670402 KUKBHLXWWSQLBU-FBPBVXOASA-N 433.512 0.925 30 20 ICED COC(=O)C12CC(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)(C1)C2 1812838837 TZRNMTQMDAEADO-JDFDBMOLSA-N 425.441 0.519 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3c(c2)CCNCC3)[C@@H]1c1cccnc1 1812881430 XIPVWHQXJYSFBX-WZONZLPQSA-N 447.495 0.572 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818963999 UVIOFURIXKGFBB-APWZRJJASA-N 444.536 0.604 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1819847996 CEICOMDOAAMBLW-UONOGXRCSA-N 430.530 0.890 30 20 ICED CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828830568 FFGDDGWJULLWAG-JOCHJYFZSA-N 427.457 0.937 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1829764592 OVEQLFMKNMNYAY-QEVIJRNUSA-N 432.477 0.220 30 20 ICED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830479220 FYYGBQYNKNSLGS-ZXRHXNHJSA-N 427.498 0.398 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1830953707 JTQPMORFNUPHCD-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028042 IUUPOEVEKQWTIP-SPLOXXLWSA-N 432.477 0.025 30 20 ICED Cc1ccncc1CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833829726 KJPQQHJDHMKINZ-UHFFFAOYSA-N 426.517 0.982 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359104 XKBSWLVGCIHATC-AOMKIAJQSA-N 446.479 0.704 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1835360154 VONCAGZUUYTREE-NRFANRHFSA-N 444.444 0.903 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835621610 NGWPGTCAIHNQKO-QFIPXVFZSA-N 439.472 0.750 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835677647 MCYYSPOBPOCBEV-IOUFHMPJSA-N 445.520 0.735 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835678114 YTDNIVCLFVJYKZ-JOCHJYFZSA-N 445.520 0.442 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Nc3cnccn3)CC2)CC1 1835745726 GOGQBZUDZAYYSK-QZTJIDSGSA-N 442.564 0.887 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835769521 WGDUSHLIDKTAIL-YJZWQLALSA-N 436.553 0.858 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838683671 QAWPTUCSPUOVET-JOCHJYFZSA-N 449.471 0.850 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1C 1838834493 GRUQXUCGPCLEJX-JOCHJYFZSA-N 439.472 0.684 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(F)c(F)c3)CC1)CCO2 1839042781 MUAKIBPHFQMDKX-OAQYLSRUSA-N 448.422 0.541 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839225600 NYFYRQWOEIOJIY-NXYYRJHCSA-N 431.555 0.402 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839225727 RKQDFKYRBQAUCN-QVKFZJNVSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1839228124 SYMCWWRZZJZFGY-QMHWCDLVSA-N 447.532 0.847 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839843311 XRTIDVSDVDBPDE-RRMPHLOHSA-N 440.493 0.150 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840434617 GOQLJRLEMUKAEP-PZJWPPBQSA-N 438.594 0.990 30 20 ICED CC(C)n1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 21733746 ZKJHGRFLEMXVRR-UHFFFAOYSA-N 435.535 0.751 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 409538671 TVWYRFVZRDAEBM-HNNXBMFYSA-N 437.522 0.789 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 430372423 RYPGVKBIYBIJOT-XLIONFOSSA-N 446.523 0.797 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 435159543 STGKWLJJJVHOPI-NSHDSACASA-N 439.437 0.549 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(c3ccccc3)C2=O)cc1 441325842 QUASPYZRWYOHMF-SFHVURJKSA-N 442.497 0.963 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1C(=O)Cc2ccccc21 460595000 CQXAFFJVWMILHM-UHFFFAOYSA-N 429.440 1.091 30 20 ICED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2NC1=O 465402990 JJKNGMURLWKKGO-CHWSQXEVSA-N 435.444 0.743 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C2CC2)O1 470907326 SGRADEUTOVJDIR-APWZRJJASA-N 432.546 0.890 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 473391904 DJMOXIQTJNQUFM-UHFFFAOYSA-N 442.472 0.400 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NCCCN(C)S(C)(=O)=O)cc1 476363906 INXJYBXEABLCDY-UHFFFAOYSA-N 432.568 0.303 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3OC)c(=O)n2C2CC2)CC1 480931758 UGAXMOYYWPTNMP-UHFFFAOYSA-N 444.582 0.982 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(Cc2ccon2)c1=O 480941778 ZPTXMNSLWOZGIB-OAHLLOKOSA-N 440.481 0.646 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)c(=O)n2C 487392245 VCLDDLLPGVLERP-UHFFFAOYSA-N 435.469 0.991 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)CC2)o1 487980771 WKTRHCAWADSRQU-VQIMIIECSA-N 426.521 0.979 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 489043240 QISKQNYEFULKLG-HNNXBMFYSA-N 445.566 0.412 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCn3c(=O)oc4ccccc43)n2)cc1 491512064 LPSZGMUJRLJGKH-UHFFFAOYSA-N 431.412 0.861 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc(S(C)(=O)=O)c1 498192495 GNAZLGMUOSFVGI-UHFFFAOYSA-N 443.485 0.653 30 20 ICED N#CCCN(C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cccc(Cl)c1 498999578 NAJZSPWVPZGTOR-ROUUACIJSA-N 440.953 0.362 30 20 ICED NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 500317389 UMWQBGHKRDOOLH-HNNXBMFYSA-N 432.468 0.678 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)nc1 500650076 JJWACYXJNJTKME-UHFFFAOYSA-N 435.893 0.982 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 500850342 MIMVDHXXESSHLY-UHFFFAOYSA-N 447.923 0.945 30 20 ICED COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1[N+](=O)[O-] 501559512 AOOYHCDACNRIJX-AWEZNQCLSA-N 439.494 0.670 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 506713904 ZDHRMEHRRBQEBX-HIFRSBDPSA-N 448.480 0.656 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOCC 523464630 QNCUJVNTVGLIEO-UHFFFAOYSA-N 429.498 0.704 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3csc(C)n3)c2=O)cn1 523864444 SGZOSZWRUDCLAM-UHFFFAOYSA-N 426.527 0.662 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 532071314 NAXLIPFLBQKZBR-UHFFFAOYSA-N 438.534 0.735 30 20 ICED C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 534379181 WQTZCVCOIRYUCV-UHFFFAOYSA-N 436.534 0.913 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)O1 554846636 FHTVHNIDLOOAPT-ZSGPHXLJSA-N 431.493 0.687 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc1 558060433 IKRKJAKBJWJYOL-CQSZACIVSA-N 438.410 0.271 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 561704233 LHWYBIUDMUXTSX-SFHVURJKSA-N 433.472 0.309 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 563614180 UFMBVEHCTXFDHJ-OAHLLOKOSA-N 443.460 0.767 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 578405503 DNQKNEXUPHHBBD-UHFFFAOYSA-N 446.460 0.973 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)C1 580597641 COJUQRZYYAGKNR-HDICACEKSA-N 433.578 0.849 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 581375280 XHWRULFZFSGQPJ-VQTJNVASSA-N 435.532 0.742 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(O)cc1 589390822 DEDIAFSOXBMZPN-MRXNPFEDSA-N 431.470 0.690 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](N3CCCCC3)C2)CC1 609351298 FNZSTUOODJHZOK-HXUWFJFHSA-N 445.589 0.951 30 20 ICED N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 615645095 JEUVCHISNVFKJF-IBGZPJMESA-N 438.481 0.228 30 20 ICED C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 619741249 JIVDQLGZSNVOQF-UHFFFAOYSA-N 441.535 0.970 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 733150305 HIXOYYWTUISIHS-KSZLIROESA-N 448.589 0.177 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 733975103 IHTYGIZBQKWPIG-QGZVFWFLSA-N 449.577 0.420 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 736845357 GICOOFRFMPPKMC-UHFFFAOYSA-N 449.485 0.528 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 740510648 SDRJCKYGHHGLRM-UHFFFAOYSA-N 436.509 0.908 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746379646 OKXSPCQPWPVOBF-AWEZNQCLSA-N 447.496 0.225 30 20 ICED COC(=O)[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 751622737 NLAJRCJKWCQSRS-RHSMWYFYSA-N 433.442 0.481 30 20 ICED C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NC1(C#N)CCCCC1 753656064 WWCNIXPWDATLGZ-KGLIPLIRSA-N 438.506 0.426 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2coc(S(N)(=O)=O)c2)c1 757641403 HUSSVWRJBSFONS-RGEXLXHISA-N 426.476 0.992 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(=O)N(C)C 760376237 WWIVQWVFUXORCY-UHFFFAOYSA-N 447.948 0.384 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 763461049 QOAWFBKLEAMILR-UHFFFAOYSA-N 449.536 0.612 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 766366213 SGMJXJVKIYKURI-SFHVURJKSA-N 446.529 0.081 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 767679951 OSEIQBTULSSPEA-SECBINFHSA-N 436.368 0.156 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CCCOC)cc2)CC1 768055666 RUBHVMOFUXCWLF-UHFFFAOYSA-N 449.529 0.423 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CCOCC 769643156 QLDDPBXJAJVVJC-UHFFFAOYSA-N 443.573 0.783 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)cc1 770217416 NTLDARPCYDCCQU-UHFFFAOYSA-N 436.486 0.603 30 20 ICED C=C(Br)CNC(=O)Cn1nc(C(=O)NCC(=C)Br)ccc1=O 778598270 LIMPNXDVTAFNGW-UHFFFAOYSA-N 434.088 0.907 30 20 ICED CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 782104284 BZCGPDPDHQQCHV-UHFFFAOYSA-N 435.488 0.789 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 783616691 PZBIXKSRZLMGGX-UHFFFAOYSA-N 430.426 0.581 30 20 ICED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)Nc3cccc(OCC#N)c3)no2)cn1 785320767 KXNCJCPSSHBZRB-INIZCTEOSA-N 437.416 0.911 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@@H]1CCCO1 809308859 KNMHUNDRTLRLJV-SFTDATJTSA-N 441.528 0.986 30 20 ICED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(OCC(=O)N2CCOCC2)cc1 915926070 OJAYULBXQNBKKR-UHFFFAOYSA-N 449.577 0.445 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 916892735 OYXVUCUPJGKMEJ-AWEZNQCLSA-N 429.445 0.837 30 20 ICED C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918872105 FEMLHKYUIQODPM-GDBMZVCRSA-N 437.518 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1288872811 ZRAFQXQMFQUZOY-DCGLDWPTSA-N 440.551 0.586 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1315066024 YCJQTQOMGQUORD-SFHVURJKSA-N 448.549 0.996 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1318619424 ZPCXUGRZOJAGCD-HXUWFJFHSA-N 426.521 0.487 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccn1 1360708605 ZVEJGVYRWFFJSE-QAPCUYQASA-N 444.565 0.703 30 20 ICED COC(=O)C1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1460114258 XLLYRKBLAUUGLD-UHFFFAOYSA-N 448.545 0.439 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)c(=O)nc1O 1466087187 LJMNCYHAAQMCPW-HNNXBMFYSA-N 446.261 0.673 30 20 ICED Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cccc1S(=O)(=O)N(C)C 1528795856 MJCQUMGAACJKMB-UHFFFAOYSA-N 436.515 0.923 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561672602 UDSNVIPZBMNRFA-CYBMUJFWSA-N 430.280 0.763 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619912798 MLDVXDXDMARUGO-QAPCUYQASA-N 427.527 0.436 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 1633657341 OXEBABOALQJNBK-UHFFFAOYSA-N 449.510 0.530 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1633997364 JXBQFDDUQQZVPW-SFHVURJKSA-N 425.445 0.573 30 20 ICED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659301484 XZDYRNKKJKAORS-LLVKDONJSA-N 434.243 0.512 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1748278464 MWPWTEOTXGEHOA-QGZVFWFLSA-N 425.493 0.970 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749083868 LOXJJOYIZHYQCU-XHDPSFHLSA-N 449.375 0.759 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1751096897 ZSEYNTLZPWIPDW-XUWXXGDYSA-N 426.543 0.510 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1761258256 NFEATEQGHMONDB-UHFFFAOYSA-N 445.549 0.859 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1777900847 NDRUSTMYOMKTAR-SGCYSOCQSA-N 439.520 0.953 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1C#N 1778943099 FWBJRFHMBBOYJU-QFIPXVFZSA-N 439.472 0.665 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779016430 UTVFXVWHEFAUPV-QVQQHXNLSA-N 433.469 0.093 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CCC1=O 1780174835 ROYHOFJYFHVDQF-DYESRHJHSA-N 426.477 0.622 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301264 TWLGZQWMBDSJEA-KNQAVFIVSA-N 446.479 0.221 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781398057 KMHZDKAUCVNHRT-YWZLYKJASA-N 449.464 0.387 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1783056428 ZIYBLOPJYXXMGL-WBYLCXCBSA-N 433.505 0.331 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2C[C@H]21 1783568326 UFYZMDWHPHNBIV-HCROLABASA-N 447.488 0.302 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783767892 GQKAREGLONVYJA-SZNDQCEHSA-N 449.508 0.162 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(OC)OC)[C@H]3C2)c(C#N)c1 1784291288 VLQGOKBEENAPBA-SNRMKQJTSA-N 431.489 0.708 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C[C@@H]21 1786857827 FXONPZRNVQBNKE-WOZUAGRISA-N 441.576 0.990 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)ccc21 1787959525 IZVUDSJGCIVXJK-BXWFABGCSA-N 437.500 0.774 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H](N)C(N)=O)CCC2)cc1 1788029440 VILWKMAMNUWBPZ-QGZVFWFLSA-N 428.537 0.995 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 1788606227 ADEXAUGYGWOZGL-NJIFUQDCSA-N 442.564 0.966 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788718052 QLZOCYUHMWLUDY-BPVMCAHGSA-N 428.489 0.981 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])c4c3OCO4)[C@H]2C1 1789289107 APXBUXMACJIIQY-WHOFXGATSA-N 445.384 0.005 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793262706 IOLUNMLWXBSIAJ-AJYBTWMASA-N 447.532 0.625 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)cc1 1794367614 NSDIYEGIUQSZPU-CWPLJXCYSA-N 435.440 0.492 30 20 ICED 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]1CCC(=O)N1 1795827767 MPUGDEMZHHFYPF-ZHCJQAHYSA-N 432.521 0.820 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(NC(C)=O)c1)C2 1797710632 MLCWPBGCFPFLSA-ZMMAXQRCSA-N 430.505 0.816 30 20 ICED 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)CC2)C3)C1 1799197387 LWOOLBHGIMTQJG-BPKGMFCQSA-N 448.520 0.108 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642866 XISBPJHKDGQBHT-IZZQQSIFSA-N 429.546 0.440 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882583 YRVVKKQNLWESPL-ZSKVKKPNSA-N 438.488 0.505 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884274 PXJDAVBNDHLUSN-FIIQBIKZSA-N 436.472 0.328 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801267593 WOMDIRBDKHOTGD-GGXPGOJBSA-N 428.537 0.386 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079498 DSXJFIOVQNPRJA-BSOSLTRSSA-N 446.500 0.979 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806613718 OWXSWWKDMZANJA-WMZHIEFXSA-N 445.479 0.691 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810328575 KCQKWTWBLMDOAK-UWJYYQICSA-N 437.500 0.662 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(F)(F)F 1810362341 XMSKOMMKWYAUMQ-GJYPPUQNSA-N 442.438 0.857 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H]1c1cccnc1 1812875621 YXFXQPCIGMBLHZ-KSFYIVLOSA-N 432.440 0.620 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1814111243 QYBMJKYJAYWOAJ-CZTZKLFOSA-N 436.516 0.971 30 20 ICED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)CCC1 1814773227 DICRBSUFBXSYFX-SNVBAGLBSA-N 427.423 0.474 30 20 ICED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815673146 LMWTXHOXQAIEFR-GXTWGEPZSA-N 429.568 0.451 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812934 LKZXTIOEFWEWLD-BXUZGUMPSA-N 441.452 0.433 30 20 ICED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)C(=O)C(=O)O 1821714858 CCDZRPCWFRBEHT-LKKXKRCMSA-N 444.448 0.657 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200794 PVFDXZRLWQUKGP-KBPBESRZSA-N 449.464 0.375 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1829748589 BJEZSGFWDPFQQI-DYVFJYSZSA-N 429.568 0.604 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(OC)cc3)CCO2)C1 1830234190 PEBIVJLPBAEXDL-JPYJTQIMSA-N 446.500 0.569 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830458258 NHZRVKCUHHCWLI-QFIPXVFZSA-N 438.488 0.390 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c1 1830869457 ASFOBSPHQFKHCZ-UGKGYDQZSA-N 431.489 0.654 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831215964 DASAXMSBYPCUKL-OAQYLSRUSA-N 433.892 0.984 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1831407427 ZBYPDVCODLJHDQ-QFIPXVFZSA-N 434.537 0.792 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831419941 RRMDUGFOSHWGJL-YWZLYKJASA-N 438.550 0.827 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832150155 FCRFMPTYIAEJKX-APHBMKBZSA-N 428.473 0.711 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832151097 QIZGSKARAHXJSF-ZWKOTPCHSA-N 438.443 0.739 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1832461339 SGIUONIBISEKIT-KNQAVFIVSA-N 434.558 0.966 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c(O)n1 1833696284 YYHYFUNXXNDMGT-XXBNENTESA-N 447.532 0.993 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)C(F)(F)F 1835096173 SIETYEWFFFZQOB-UXHICEINSA-N 440.418 0.808 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835732686 WSZDTMWSHLVOSY-UPMNJHNBSA-N 446.596 0.556 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836093636 IUAYFCIIFMEKLY-VKUXZERMSA-N 433.530 0.605 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836167659 JXISDSQIDPEQOC-ARJAWSKDSA-N 438.532 0.930 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1836846037 FTOOXYJBVPEACQ-MRXNPFEDSA-N 428.551 0.458 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836894968 BTHVOHLHAMTFQE-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944047 HNXWKRNQZNKJBS-JTSKRJEESA-N 443.504 0.699 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837333126 SEGIKVSMLIHMCS-RDTXWAMCSA-N 428.580 0.726 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1837392350 DIPNTNBSHVKGQH-CVDCTZTESA-N 437.581 0.748 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nc1 1837563613 RSCACIPFSXRWOK-NYNQOQISSA-N 442.472 0.872 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837944496 DAPYTCPEHBWEJQ-LJQANCHMSA-N 436.490 0.164 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)c(C#N)c1 1838321368 SPQVRJGFYMHIQH-NRFANRHFSA-N 441.444 0.263 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1838834753 WJMKPPBRLYCXCJ-FQEVSTJZSA-N 428.449 0.012 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839059983 BOFZYHPICCPEGJ-YGPNGPECSA-N 426.473 0.793 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1839176307 HCFNBPZCJBWEDK-ZMYBRWDISA-N 432.876 0.877 30 20 ICED Cc1cccc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c12 1839597386 YKMWZOAAJJMRTK-NRFANRHFSA-N 426.429 0.029 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1839888652 ZJQIQZTWAKAHDV-SFHVURJKSA-N 428.436 0.710 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC=C)CCO2)C1 1840176644 OPMXIOGYEKGPBN-VGSWGCGISA-N 435.521 0.936 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840455509 AVNVVMRBUOLSKM-QFIPXVFZSA-N 432.521 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)c1ccccn1)CCO2 1840498902 GNKQQHBNZPFCFR-VQLQEPDVSA-N 442.516 0.500 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938786 OYXCJZBPLSRYJV-DEOSSOPVSA-N 425.529 0.980 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846131412 BAQKXUDXMQUFOU-QRQCRPRQSA-N 431.489 0.925 30 20 ICED COc1ccccc1/C(N)=N/OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 105032113 MVLFEPGVYPTJGB-UHFFFAOYSA-N 448.501 0.992 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 433495186 CPNXQQHLFJVDTL-OAHLLOKOSA-N 441.517 0.940 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2)CC1 439318760 HMVIKZIICGRMAN-UHFFFAOYSA-N 433.534 0.713 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 446061892 MIKIXIISFUEEAP-ZFWWWQNUSA-N 434.497 0.883 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 448302449 MERYLQNLLNVWDO-GJZGRUSLSA-N 438.492 0.652 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 470419763 SLVBVSXZYFADOE-SJORKVTESA-N 425.507 0.051 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(=O)OC)[C@@H](C)O)nnc12 474605706 JSYCMJLGDIRUFI-ABAIWWIYSA-N 431.474 0.361 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1 480511777 MUTYIGUDWJRXNJ-LJQANCHMSA-N 432.484 0.914 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c(C#N)cn1CCOC 481341983 IILLFHXMMZRZRX-UHFFFAOYSA-N 446.464 0.731 30 20 ICED C[C@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 497474539 NRKZBJYPCWQOAI-JKSUJKDBSA-N 442.545 0.989 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)n1 508358834 FFEFWNRTCCSQNL-UHFFFAOYSA-N 438.492 0.719 30 20 ICED COc1ccc(-c2nnn(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n2)cc1OC 521799224 LLCDUFNYZGHLER-UHFFFAOYSA-N 438.448 0.874 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 530317711 GMSLUGDNJPZDOR-CYBMUJFWSA-N 433.436 0.441 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(C(N)=O)cc1 531131276 ODVWGJPOGWRZBL-UHFFFAOYSA-N 435.490 0.180 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)CC2)cc1 538860417 SCNXCBAFGJOVPY-UHFFFAOYSA-N 427.442 0.431 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 539994776 SSTJIRJXXHXWLR-ZDUSSCGKSA-N 426.458 0.748 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1C 545204515 CGUOUFCAXOMFKH-SFHVURJKSA-N 430.534 0.806 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O 550030546 LCPLXQABCHYYOV-FQEVSTJZSA-N 427.549 0.166 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 552379260 IFNDXDCFERIAET-HNNXBMFYSA-N 434.440 0.871 30 20 ICED COCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 565336853 XKSNTKGHNAUQLK-UHFFFAOYSA-N 439.476 0.469 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 568404790 MCXVCCFETHAHNS-SJORKVTESA-N 427.505 0.127 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)c1 573039781 BRMCYOSHZDHNGH-RTBURBONSA-N 426.521 0.096 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1cccs1 579905332 SQCGWYMRABZSAL-UHFFFAOYSA-N 426.523 0.867 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 603667924 XNHOJJHJRSZZNJ-UHFFFAOYSA-N 444.488 0.255 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2OC)c1=O 603795201 OGERQAZSVOICMQ-UHFFFAOYSA-N 445.541 0.993 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)nc1 608866830 GIDQNZROFLMQRE-UHFFFAOYSA-N 427.486 0.611 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 609564045 UEFNGUNUPWYYMG-UHFFFAOYSA-N 448.957 0.127 30 20 ICED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609888592 AAOQIEJUWFTUJP-HUUCEWRRSA-N 439.559 0.993 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)cn1C 610798197 QELVSLISQSCGME-SFHVURJKSA-N 433.534 0.541 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 615307826 MTUSREWLTIUGJR-INIZCTEOSA-N 428.532 0.523 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccccn3)cnc21 727233377 ONLKAVCFRUXOHR-VIFPVBQESA-N 430.222 0.635 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)CC1 728532759 JDECCEADNUKIEL-LJQANCHMSA-N 426.517 0.584 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F 728551922 ROGUEHGTBWAMEQ-UHFFFAOYSA-N 438.525 0.670 30 20 ICED O=C(CS(=O)(=O)c1cccc(Br)c1)NCCN/C(O)=C1\N=CC=CC1=O 732155000 WTAGAPAMEIVWAH-FOCLMDBBSA-N 442.291 0.865 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)cc1 735823518 IFGOGFRITGWYMN-SFHVURJKSA-N 447.538 0.823 30 20 ICED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 742594203 OIZCPQSTGQMJBL-GFCCVEGCSA-N 434.430 0.420 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1CCOC 743728578 MGUVSSNDTFAATC-UHFFFAOYSA-N 437.481 0.388 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)C 746399384 FJHXBSJUBPFJCI-HNNXBMFYSA-N 444.579 0.728 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 747822631 ADYVXSACPWABRH-UHFFFAOYSA-N 432.546 0.871 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(S(=O)(=O)CC)CC2)c1 749504822 UAJYQKNROIZUTE-UHFFFAOYSA-N 447.557 0.921 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1C#N 752407039 DWKUFGMHPQMHHB-HNNXBMFYSA-N 442.432 0.560 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1 754319475 BJGIMUHUDDQQIF-UHFFFAOYSA-N 438.325 0.261 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@H](C#N)C1 758758820 JXJLZMKUADPHRY-GDBMZVCRSA-N 443.508 0.771 30 20 ICED COC(=O)[C@H](COC(C)C)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766808008 DBESMJQALPXOLQ-ZFWWWQNUSA-N 425.507 0.929 30 20 ICED COc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 769729619 WIDTYOSYMBWDAQ-UHFFFAOYSA-N 447.469 0.713 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)CC2)cc1 776327453 LGGUUVNOBYYXEM-HNNXBMFYSA-N 444.435 0.944 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(SCCC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 783478983 HRLHYYJMCYECBU-HNNXBMFYSA-N 438.527 0.929 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 787774138 FNYYGZDJRHVWGK-UHFFFAOYSA-N 436.516 0.754 30 20 ICED C=C[C@H](OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(=O)OC 800721004 MPNJJGRAKZFVOH-INIZCTEOSA-N 436.442 0.846 30 20 ICED CC[C@H](CN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1)OC 809943306 BRBLWDSIBRJLHQ-UMSFUGNGSA-N 442.563 0.695 30 20 ICED O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)[C@@H](F)C(F)(F)F 810183286 UDFWMHNIRSUAPG-SFYZADRCSA-N 449.320 0.377 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812252353 BDEVNTYMRAWMNO-HOTGVXAUSA-N 444.517 0.731 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cn(CC(=O)N(C)C)nn1 920642240 SEIRTCABBHNZDT-CQSZACIVSA-N 428.449 0.867 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)o1 920656100 STICQOMHMWOHPK-UHFFFAOYSA-N 447.398 0.755 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CC1 1116948467 KBURXASPNXZCEY-UHFFFAOYSA-N 438.282 0.837 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503282809 VSQYFJURJCOOFQ-QGZVFWFLSA-N 444.565 0.764 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 1555991241 YBWQJPQLFUDKQF-MRXNPFEDSA-N 441.579 0.745 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1618468342 JYTMLEJARNKKMK-RXVVDRJESA-N 444.561 0.897 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1618815434 LWLVOGXDYUYJRU-AWEZNQCLSA-N 434.522 0.734 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1696490922 RJCVFAKBEMEACO-LSDHHAIUSA-N 446.599 0.448 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1724011263 OUAFDBDQFCBZKT-PMACEKPBSA-N 430.534 0.944 30 20 ICED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)n1 1724511544 ABUFMCOILIQHRN-MRXNPFEDSA-N 430.538 0.374 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728804443 LYEWLXOPXAFGTJ-OALUTQOASA-N 440.570 1.000 30 20 ICED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1=O 1749863417 VLEDNZYWYYATDJ-IAGOWNOFSA-N 429.525 0.854 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1760692004 WHJNEXZQXMJKDX-ZDUSSCGKSA-N 444.521 0.337 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1778373566 KKKBJZGZXDRQEF-QFIPXVFZSA-N 443.504 0.711 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1778970740 FBWBXDZHBWURDW-OPAMFIHVSA-N 441.488 0.106 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102266 GBMCRBLUVDLREP-OYIQWKTMSA-N 446.508 0.636 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1779333370 GPJUEDMHHVWPKL-DOQJBMMISA-N 445.520 0.276 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1780803396 AEZJPDNUJNPJKJ-NNMXDRDESA-N 437.585 0.549 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782849932 JVRMAXRGNIQCIF-ADLMAVQZSA-N 440.378 0.061 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786362390 QRVLLKYXIAGSBW-QSFXBCCZSA-N 440.500 0.661 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21)C(=O)O 1786894198 OCHDEXAFUXCMDR-MUGJNUQGSA-N 442.516 0.533 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422909 CNMVBFNZGKPZKN-RMYQPGKMSA-N 447.557 0.761 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C3)C1 1792441479 PPMLCCNFUQEAHZ-MTHXSQLBSA-N 449.548 0.770 30 20 ICED C#CCCC(=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 1792450815 AYQOPLYLRVZAAP-KWXDATOUSA-N 449.548 0.607 30 20 ICED 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)C#N)C2 1793088173 WWKGLUKSFAYONH-FSDCSDTHSA-N 448.520 0.704 30 20 ICED CNC(=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 1793285327 AVRBDJSZYPMLHK-ZSBFGKGUSA-N 438.406 0.916 30 20 ICED O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)N1 1793470547 PFQNXRNFKHUMIE-FLXSYLCISA-N 444.557 0.218 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c1 1794268886 RHADHTJUUCUQKU-HGKCTWBKSA-N 449.467 0.578 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1797234512 GUQPNEPNJHEEOO-HTVNGYFWSA-N 446.573 0.324 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1797711676 HUQTYNIFTABZJW-YALNPMBYSA-N 433.505 0.875 30 20 ICED CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1F 1797808561 JNZFFEJDMWVYJA-HQIBJSEXSA-N 437.472 0.843 30 20 ICED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)(C1)C2 1797839478 KJFRPLHCCNQKAA-HGJQJTMKSA-N 429.473 0.631 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1797913535 WDQSAROJLTZFGA-YWVIFJGQSA-N 429.481 0.008 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774032 MWSVPTVJJVDQKX-WHZNHKCRSA-N 449.504 0.454 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)c1 1801764505 DMBLWCOUBMLZJR-PJKMLTEKSA-N 439.472 0.069 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087113 ILJQGLNJONVWHU-FSDCSDTHSA-N 439.509 0.609 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1803555584 XTSRKZNQVZKLKX-BBTUJRGHSA-N 431.537 0.663 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)[C@@H]2c2cccnc2)CC1 1806850431 YUKDDSLETLZVLI-IEBWSBKVSA-N 445.545 0.817 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023998 KQKVOGQTGBWFLB-UAGQMJEPSA-N 444.494 0.767 30 20 ICED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)ccc1F 1815685410 BWAMFGXXNYRTJX-ZDUSSCGKSA-N 440.464 0.995 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816669212 ZHUSKNSBFWMMNP-MRVPVSSYSA-N 427.450 0.045 30 20 ICED C=C1CC(C(=O)N2CC[C@]3(CN(C(=O)C(O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1828517844 HZXOGOCCNUMPBO-HSZRJFAPSA-N 443.500 0.715 30 20 ICED O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828977786 VTLMWOXADJLTDV-AQTPXSMCSA-N 436.553 0.858 30 20 ICED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1829302854 AHTJZALCIUEDDN-JOCHJYFZSA-N 441.488 0.618 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829769382 SDDXDUVWUBPPRV-XBKFQHLESA-N 438.484 0.487 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907858 SPPWGDDMLLKADM-KSFYIVLOSA-N 428.489 0.082 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830182607 NNROJHBDQODLIG-QFIPXVFZSA-N 448.541 0.964 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1830461567 PTHZUPSJTOFQNC-QFIPXVFZSA-N 440.456 0.955 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnc1 1830981548 XBJBBCUALHXVTN-CXDMEPTKSA-N 429.477 0.613 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830981903 LMQDUIHMZFYYOA-LAUBAEHRSA-N 434.493 0.410 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831103299 CDHSMOIBBRNCGV-CVDCTZTESA-N 437.581 0.748 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831391748 GMBUUGVZCLHNOM-QVKFZJNVSA-N 427.461 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1831399476 VJGIHINYQNWWHT-PBHICJAKSA-N 429.311 0.409 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831481898 BVDKQOHUWMGBIK-DYVFJYSZSA-N 429.568 0.604 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831490820 MCMMXNNXCQIBAE-YLJYHZDGSA-N 433.534 0.754 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831512370 OZSZUVXJRVAOLX-GREBRCKQSA-N 436.549 0.548 30 20 ICED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)cc1 1833040176 REEGOQYEYNFOEZ-UHFFFAOYSA-N 439.564 0.546 30 20 ICED Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833543951 HFPNVGPINPMNSC-DKQKECBASA-N 434.493 0.922 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1F 1833703958 SSLUBHLVDQMCRI-QHCPKHFHSA-N 440.475 0.989 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710818 VBLQLMORSSKNDT-SFHVURJKSA-N 439.582 0.064 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834733656 DPKRKCQYEFTGJL-QGZVFWFLSA-N 425.599 0.070 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCNC)CCO3)C2)c(O)n1 1835660045 BLKSANCDVDBINZ-HSZRJFAPSA-N 446.548 0.975 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1835998318 UJSWYMBIRMIFRF-QHCPKHFHSA-N 436.468 0.490 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837398458 AMJMIRCKCNVPPQ-FDDCHVKYSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1837402241 FVYXSHIHAAHNEJ-XXBNENTESA-N 448.564 0.609 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1837403142 OETOYLFMRMHZTP-YCRNBWNJSA-N 437.581 0.889 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837490595 IDCJENOOJXOPOU-QHCPKHFHSA-N 445.491 0.989 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837700107 FZJMNOLTQATKTO-AOMKIAJQSA-N 426.473 0.319 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049151 AJSDSXPBTZJYTK-VGOFRKELSA-N 427.505 0.940 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100456 AAKCCXDUKHEDCV-HYBUGGRVSA-N 448.608 0.847 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1839224869 QSAGOBHOCSKVNM-LAUBAEHRSA-N 433.509 0.667 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1839451266 JIAANBPEWQQQNB-ZHRRBRCNSA-N 428.489 0.448 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840197879 BLPICPNIZCBUQG-GHTZIAJQSA-N 433.530 0.742 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840493117 AOOVMCQDXQAUFE-VFNWGFHPSA-N 426.477 0.723 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818588 KPRGTBLTTVPXRA-JPYJTQIMSA-N 441.484 0.432 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840945593 ZYUKTMMPWOWCAH-IBGZPJMESA-N 440.472 0.315 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846196431 YDJOVMXQKKKBNO-UHFFFAOYSA-N 444.488 0.819 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)c1ccc(O)cc1 1846415682 AAEMEJOSLNMHRN-QGZVFWFLSA-N 449.444 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1847240125 YWFKKDIKUQNBNJ-ZSXDVEMLSA-N 449.548 0.844 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)n1cnnn1 1847941799 KTLSDFGBOCCHLA-VGWMRTNUSA-N 433.513 0.905 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)C=CC1=O 1847942629 YSEPEUMIYGGUNV-PMPSAXMXSA-N 446.504 0.583 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC(F)F)c1=O 254806198 MMAKPUMPJSXEOK-UHFFFAOYSA-N 435.452 0.963 30 20 ICED C=CCOC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 435949296 LQMCXADVRRAPMT-KSFYIVLOSA-N 427.457 0.988 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 437723215 SLWQCANPVMUACH-DOTOQJQBSA-N 446.504 0.912 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)C1=O 440266843 KKWYMUQVQZYOLR-ZWKOTPCHSA-N 428.489 0.788 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1=O 440269563 RDOUWEFIUHYSRU-HNNXBMFYSA-N 438.481 0.450 30 20 ICED CC#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 440703278 RCSUGRUMAUCNCT-UHFFFAOYSA-N 437.518 0.963 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 460954301 CDZWYVRONQXYLG-HUUCEWRRSA-N 449.599 0.494 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)CC2)c1C#N 472344014 FONHWNLWENJWFW-UHFFFAOYSA-N 447.473 0.581 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 475704756 RBDFQZXTJKRTHS-OALUTQOASA-N 438.488 0.883 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)o1 476049662 LPPHNLINMULICH-QGZVFWFLSA-N 430.509 0.120 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OCC)n2)c1=O 477453011 FMBHDOQIAPCZMI-CQSZACIVSA-N 430.530 0.768 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1Cc1ccon1 480932802 RHXJQJAAKJZDHX-UHFFFAOYSA-N 438.509 0.829 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccon1 480958370 VSIKWNBDBQDIFX-UHFFFAOYSA-N 442.472 0.659 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 501459697 CDRDRISWERBABB-UHFFFAOYSA-N 426.502 0.901 30 20 ICED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC#N)CCN1CCOCC1 502577219 QOGBEZQMNYTWAP-UHFFFAOYSA-N 437.566 0.888 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 503008585 AXEPFHUBGPEJHW-UHFFFAOYSA-N 427.461 0.428 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508794575 QUZHJIDFSLNXSX-QGZVFWFLSA-N 436.582 0.501 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 509387807 LSWNWQMLBBWWGE-XNRPHZJLSA-N 437.474 0.178 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CS(=O)(=O)CCO3)c(C#N)c2N)cc1 511465070 QMSKPXFVGLCXNC-MRXNPFEDSA-N 446.533 0.680 30 20 ICED N#CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 511925411 YZFRHDFUPQTHGJ-UHFFFAOYSA-N 430.490 0.281 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(CC(C)C)c1=O 512790378 LPZNSTYBXXOAHA-MRXNPFEDSA-N 429.546 0.580 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514022798 QNECWMZVFFPHHV-AOMKIAJQSA-N 438.488 0.122 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 514491791 PWFVMHJHUBYQME-GFCCVEGCSA-N 428.470 0.807 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038347 MGOVIKXGTCOZGR-INIZCTEOSA-N 425.510 0.511 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 533317540 LXROOGPOYQNCOC-UHFFFAOYSA-N 446.471 0.336 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 550465323 GONZNYXAUQVIKJ-UHFFFAOYSA-N 441.576 0.256 30 20 ICED CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 550475023 XAFQRZMPUXSYFF-UHFFFAOYSA-N 436.516 0.859 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1-n1cnnn1 551430765 IYZDZSCISAYHCO-OAHLLOKOSA-N 434.416 0.556 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1 555588856 CCQPSLMAPNFJER-LJQANCHMSA-N 437.500 0.641 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 558308240 PHEGOQQYCOKSBV-UHFFFAOYSA-N 447.609 1.122 30 20 ICED COCC[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 572688735 BOXNGOKLZUMHIT-FQEVSTJZSA-N 436.534 0.176 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603794716 LYNZTUVVEMPTKQ-UHFFFAOYSA-N 428.470 0.590 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 604454616 KEMDRDSOVNKPDZ-UHFFFAOYSA-N 435.484 0.875 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](n3ccnc3)C2)CC1 609157665 NGAPPRMQZLFMNA-IBGZPJMESA-N 442.545 0.925 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 612272596 VTNKCNQRYBFJSB-LJQANCHMSA-N 434.522 0.254 30 20 ICED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 619544374 SCXFWZDLRXZMSG-ZFWWWQNUSA-N 442.490 0.375 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726399172 CBLQYXWNGSFJPD-OAHLLOKOSA-N 431.518 0.912 30 20 ICED C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 737307552 RTHMBOMULOXHNL-MOYODAKZSA-N 441.488 0.881 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1=O 740856262 PIAZLNQIEYHKIP-HZPDHXFCSA-N 435.525 0.736 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 758049577 HUUNNYRSLVHMMC-UHFFFAOYSA-N 443.525 0.769 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 758552306 YVIGPBKYASSYGX-PSUSHLJKSA-N 434.497 0.765 30 20 ICED N#Cc1ccc([C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 763241499 OIDPIFZRKDJZAI-LJQANCHMSA-N 442.497 0.929 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cn1 780107984 SDAWTSBMXDZISW-KRWDZBQOSA-N 442.501 0.729 30 20 ICED C#CCN(C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 783478524 DEOFYUNAXLVRDI-SFHVURJKSA-N 439.497 0.948 30 20 ICED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 784964920 VDGMODWDDOGLSK-SSPLZPMDSA-N 435.506 0.127 30 20 ICED N#CC[C@H](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 793102498 DTAOSCMMWVFUQX-QZTJIDSGSA-N 439.559 0.735 30 20 ICED CCC(=NNC(=S)NCCN1CCOCC1)c1ccc(Cl)c(S(N)(=O)=O)c1 794471042 ZQLJFHPRPCCFAU-UHFFFAOYSA-N 433.987 0.898 30 20 ICED 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N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 1323547044 MHTRZKUULUUJAW-HKUYNNGSSA-N 425.489 0.944 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1OC 1505114882 SCCSIQNMJYGMFM-FUHIMQAGSA-N 447.517 0.216 30 20 ICED N#Cc1ccnc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1623708059 RYIBRQOWIZRZDP-UHFFFAOYSA-N 442.501 0.332 30 20 ICED COC(=O)c1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1628402044 LYZROHCGTUWTBU-UHFFFAOYSA-N 431.470 0.991 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2cc(C#N)ccc2F)c1 1628776818 TZIHDWVQOSZIDB-UHFFFAOYSA-N 425.463 0.696 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1731179394 ZSZPICJCGQIOBZ-SFHVURJKSA-N 448.484 0.403 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1745881560 ZADNMEXBMQLOGJ-UHFFFAOYSA-N 447.503 0.882 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1747427341 NHUNHQQVFQLECL-GJZGRUSLSA-N 446.599 0.590 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1751193393 KFTGYFIMVIXERE-LIRRHRJNSA-N 434.522 0.548 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1761431938 OLNBQEGKCXDRJY-IXDOHACOSA-N 439.586 0.739 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1778971211 JOFILARCZXFIBN-QVKFZJNVSA-N 446.529 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1778973166 ZTQYCPOYNNDHKF-GAJHUEQPSA-N 446.548 0.690 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779233615 WCSVRCZCRLXCOA-HTAPYJJXSA-N 432.521 0.708 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1779315463 NGQBUTUEHBGGGI-LAUBAEHRSA-N 448.907 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)[C@H](O)C=C)C1 1779330372 ZBXSGOTZNYGWAE-IFZBRMRXSA-N 433.549 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343173 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831402635 NKOPAALOFPPIED-GCJKJVERSA-N 432.521 0.074 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1831438406 QDLNSPRGCAYLSI-KGVIQGDOSA-N 433.505 0.896 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831491343 AEGGLHPLYVPRRV-XLIONFOSSA-N 433.534 0.754 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1832161413 VSRBUFXRHXKZTH-GNNTYVBISA-N 447.410 0.468 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1832451986 NQLNDRLCWMWQDX-GOSISDBHSA-N 426.564 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCCO3)CC2)CC1 1833074271 FBWIPHWHUNPVTA-PXDRNWIDSA-N 432.565 0.986 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)cco3)CC2)CC1 1834342004 SAEBGTDQQBOBHT-ARJAWSKDSA-N 442.516 0.683 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1834445943 LAZVDWFYERSDRW-BRWYKISVSA-N 435.481 0.019 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835122640 KRROTRNBJZXHHC-OXQOHEQNSA-N 436.597 0.998 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835145063 QVHPMUOMOFORMD-FQEVSTJZSA-N 435.502 0.220 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3snnc3C3CC3)CC2)CC1 1835244615 DJPGFPQEHIXDBL-UHFFFAOYSA-N 431.518 0.689 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)CC1 1835346794 SYQGSDZUXDKARD-HSZRJFAPSA-N 439.516 0.144 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1836064044 BLYBBQAVKWDWNL-QFIPXVFZSA-N 441.463 0.744 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837395056 OOTISXOIQBNODK-FOIQADDNSA-N 438.912 0.773 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnc1 1837440821 ZXAUWNRQWBJFBI-MHTGZXFVSA-N 432.525 0.372 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnc1 1837559711 CLSCNBXRSDOTGZ-CXDMEPTKSA-N 429.477 0.613 30 20 ICED N=C(N)NCC(=O)N1CCC(OC2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1837842921 VSQDSRAYWSOOFW-ONEGZZNKSA-N 447.561 0.969 30 20 ICED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735914 BEWVNOCQAWOXAJ-VBKZILBWSA-N 444.517 0.913 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)c1 1838737148 KFOYCWJKEVWNBM-NRFANRHFSA-N 435.444 0.541 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3F)CCO2)C1 1839290625 XJCWFBNUPNVKKZ-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839304311 VACPKJSEBUULQB-QFIPXVFZSA-N 448.495 0.883 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839641342 FNUZEIWJHOAJLZ-XXBNENTESA-N 435.565 0.482 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668494 UYFSMTLXRZWUQO-QFIPXVFZSA-N 446.504 0.786 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840039855 IRWWIHUPQPMRPA-OAQYLSRUSA-N 430.844 0.236 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840041934 QODLLCWLIJONHM-YADGQWAMSA-N 432.454 0.031 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608079 GGJQNZBJHCOFRV-QWIQJREVSA-N 432.517 0.034 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938594 BYPXSFMWNJWBAF-JOCHJYFZSA-N 435.569 0.211 30 20 ICED CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)CC#N)C3)c2n1 1842623330 DEUVPGSSQHXZGY-UHFFFAOYSA-N 440.464 0.243 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CCc2cccc(C#N)c2)C3)CC1 1843972413 LTWJNXWSRJYXEO-UHFFFAOYSA-N 437.544 0.858 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NCc1ccccc1 24072127 SFURTDWACHHRTG-CQSZACIVSA-N 444.469 0.794 30 20 ICED CCCn1c(Cn2c(=O)c(C#N)cn(CC)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 31794663 CHZWQKQYQAPYGK-UHFFFAOYSA-N 444.517 0.960 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 65321386 XDYVNLCUYRESDK-UHFFFAOYSA-N 442.563 0.405 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)S(=O)(=O)c1ccc(C#N)cc1 106112516 DKLUKCALFTZABL-UHFFFAOYSA-N 442.497 0.869 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 410158144 DAGJUMVUJKAWEI-HUUCEWRRSA-N 430.433 0.842 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 428770748 GIVVVCZATNMACO-AWEZNQCLSA-N 431.474 0.701 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1=O 430121198 GIXADRAQTMDLGE-ZDUSSCGKSA-N 438.278 0.693 30 20 ICED Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 432656184 TWGWTRFLELWQJV-PKOBYXMFSA-N 429.502 0.902 30 20 ICED CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 441567314 PHGBTJCOIYDBPK-RBUKOAKNSA-N 429.569 1.531 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)CC1 442222365 ZBJDARIEHWKUFP-UHFFFAOYSA-N 444.536 0.851 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 442480612 PAFJVVSVSAHUSC-MRXNPFEDSA-N 439.476 0.978 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 443108784 JKHUBXOHGTVGCS-UHFFFAOYSA-N 431.511 0.949 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1CC(C)(C)O 445192034 PLYGDIJJWMWGQH-AWEZNQCLSA-N 428.468 1.125 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446534288 YYCMZYISXUCTKV-UHFFFAOYSA-N 431.493 0.410 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cn1 460715628 BFINXMUDMXQHLE-KRWDZBQOSA-N 433.428 0.978 30 20 ICED COc1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 461703703 FYEONPHOGKECNY-UHFFFAOYSA-N 436.534 0.681 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 466418999 FHURIKZTSSPAJG-UHFFFAOYSA-N 427.465 0.097 30 20 ICED C=CC[C@H](CC)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 467685331 KKPVWGWFMLVBPS-ZFWWWQNUSA-N 425.507 0.841 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 469110845 YWZQYXUNDOVFMG-UHFFFAOYSA-N 429.433 0.936 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 473927663 DLESDEXORQVEAO-UHFFFAOYSA-N 435.484 0.989 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476335604 UFYTVPQKIIQLJS-IBGZPJMESA-N 440.500 0.967 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 494196559 XRBIVHAMABFFCS-SFHVURJKSA-N 433.534 0.437 30 20 ICED C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1C1CC1 503755422 ZNAYFRDYOQQYHU-OAHLLOKOSA-N 425.580 0.765 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1 508365112 AJPONPFUAFBAGC-UHFFFAOYSA-N 435.419 0.974 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](COC)(C(=O)OCC)C1 508473099 NAUBVDNMYCXGQB-KDOFPFPSSA-N 429.543 0.870 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 508809402 LTWPORFONRJECY-MRXNPFEDSA-N 432.550 0.966 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)S1(=O)=O 509776332 VQSKRHRBSRSUIU-CJNGLKHVSA-N 430.490 0.561 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)[nH]c21 516767489 BEKQKJSGWLFXGI-UHFFFAOYSA-N 435.488 0.901 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 517695212 MZMFHVAOKCGUFS-QGZVFWFLSA-N 425.555 0.951 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 543951982 UZKCACBXTMQUGD-UHFFFAOYSA-N 433.917 0.784 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C1 550979037 HXLWATFPHUJMCZ-HDICACEKSA-N 425.533 0.823 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 553840637 XUVQOXIQPFPMGL-VFZGTOFNSA-N 427.280 0.977 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 560731246 DCBPMDUTOFIOQN-ZDUSSCGKSA-N 441.453 0.412 30 20 ICED Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 564351258 VAHUYDPXOPDBEH-ZVDOUQERSA-N 449.515 0.093 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 570702210 GBBOWOJLJFKLKQ-UHFFFAOYSA-N 440.504 0.590 30 20 ICED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 575155698 WFYJKNXNWFAFCY-YOEHRIQHSA-N 427.505 0.931 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)nc1 578564173 KKOWMCCQBMWNAR-YJBOKZPZSA-N 447.451 0.863 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585721831 OJGJUIGWVXYOJK-UHFFFAOYSA-N 438.488 0.775 30 20 ICED CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)NC1CCN(CC#N)CC1 586808937 XHCQEVFEVRWYRJ-UHFFFAOYSA-N 435.550 0.484 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123597 CQJAUTQCYSLGQW-MRXNPFEDSA-N 444.511 0.401 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)c1cncc(C#N)c1)NS(=O)(=O)c1cncc(C#N)c1 589288804 KKNKNZZNFVCJPN-SFHVURJKSA-N 448.530 0.844 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2nc(Cn3c(=O)c(C#N)cn(CC)c3=O)[nH]c2c1 603724450 ZKYRGKNDXPQTMY-UHFFFAOYSA-N 430.490 0.857 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)c2)c1=O 603985720 ASYORDVDTXEWLA-UHFFFAOYSA-N 425.510 0.856 30 20 ICED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 608889745 XWSKPMKVRHTFKS-ROUUACIJSA-N 425.533 0.937 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 610682551 RBXCADFHQNCCPB-RBUKOAKNSA-N 448.545 0.271 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 618988503 WOSRONAOOUUWPA-UHFFFAOYSA-N 437.341 0.433 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC(=O)Nc3ccc(OC)cc3)c2)C1=O 623230694 WJPFTDGLKDQIDT-UHFFFAOYSA-N 440.416 0.446 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 672356596 CPPDOIFEXRSGKH-UHFFFAOYSA-N 427.549 0.926 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 726577541 RELHOVSURPVRPW-UHFFFAOYSA-N 426.479 0.534 30 20 ICED CSC[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 731392092 RSXRGGVIMCDZMU-CQSZACIVSA-N 425.532 0.933 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC(F)F)c(=O)n1CCOC 734143459 CJWQUPPSQDYUAH-UHFFFAOYSA-N 439.440 0.415 30 20 ICED C[C@@H](CC(=O)NCC1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742603027 BXBWTCRLOUGUBY-ZDUSSCGKSA-N 442.563 0.292 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 755550444 JYGUHSTZBBAXGE-NUEKZKHPSA-N 432.481 0.876 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756232402 TWFAJXSWIQJDOK-DSIZOQBWSA-N 425.416 0.700 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 760862358 ZIZCKJPHNCNWEZ-QGZVFWFLSA-N 434.537 0.880 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1 761036962 JAGXWTGRTUTJNJ-UHFFFAOYSA-N 429.340 0.781 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c1=O 766665090 SMSGFOACWRZTLG-UHFFFAOYSA-N 442.907 0.848 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 770862218 KRVLEWOABHTTHQ-UHFFFAOYSA-N 428.879 0.976 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1 774951025 JFMSISPGFUXMDX-CQSZACIVSA-N 446.403 0.877 30 20 ICED CCc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cnc2c1c(=O)n(C)c(=O)n2C 779319092 AIUUCNPMDDHMPI-UHFFFAOYSA-N 433.490 0.338 30 20 ICED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783579652 UVGUSBGRTLKEBV-JKSUJKDBSA-N 435.502 0.948 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cn1 785131173 PPTOKQOBVSXVSR-CQSZACIVSA-N 431.250 0.807 30 20 ICED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCN1C 785296562 NUSDMAYJXOXGKL-MJXADZCFSA-N 435.550 0.989 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)O)cc1C 787553583 OFSFLPHSSZGFAI-UXLLHSPISA-N 437.518 0.825 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CCOC)c2)c1=O 794581224 RHNVWSSRDKPSEN-MRXNPFEDSA-N 430.530 0.661 30 20 ICED CCn1ncnc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797378372 STINQOWMYZPIBV-HAHDFKILSA-N 433.494 0.366 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 807067001 SHLPQFMONZKBJC-HKUYNNGSSA-N 449.511 0.900 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 816128404 IBEXJKVGULZLQB-OKILXGFUSA-N 434.430 0.837 30 20 ICED CNC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 917002699 SFHFLHBEZFJJNH-NSHDSACASA-N 430.280 0.538 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 917355145 SZMYRVBPJGZCKS-UHFFFAOYSA-N 431.562 0.714 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nncn2C)c1 918280528 YUUHQRSQKWUHHY-LFVJCYFKSA-N 447.521 0.663 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1288275106 MMAIUNAQUWHYOQ-ZIAGYGMSSA-N 432.572 0.246 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccnc(C#N)c3)ccc2F)CC1 1297367505 YHKNVUNPHHMBSZ-UHFFFAOYSA-N 445.476 0.875 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1301809803 QLQZWNWJPVRUIF-WQIZZMQYSA-N 443.595 0.848 30 20 ICED N#CC1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1316535739 ZFIFDNSTDQSFOY-UHFFFAOYSA-N 430.534 0.944 30 20 ICED Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1510426030 UCTQSLOXMZXLCO-JSGCOSHPSA-N 439.567 0.933 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1513168986 ILDPVXCKNTVIPX-KBPBESRZSA-N 425.559 0.933 30 20 ICED N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 1683500563 ZPMPJNAKJBHMLP-UONOGXRCSA-N 433.490 0.726 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1743255600 UIJMSJIEETUQJY-XOBRGWDASA-N 444.517 0.033 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760379345 PZZFIHOSXOSCAZ-UHFFFAOYSA-N 435.960 0.897 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1766726465 VOVWDTGKCKLHMR-KRWDZBQOSA-N 443.533 0.567 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1778999519 GNEVJRKHJKLCBI-UWJYYQICSA-N 436.629 0.460 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065160 NYDZVYMDKWBUJX-JTSKRJEESA-N 434.537 0.223 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c(=O)[nH]c1C 1779134648 MAMOIRSYEXYVKH-LWOHLBADSA-N 427.461 0.542 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)c1 1780091147 QZYIEYHSQLBZFE-DYESRHJHSA-N 429.477 0.363 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781757839 KJHHSVTVPQHOCU-GIFRWZEPSA-N 444.488 0.758 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncn1-c1ccncc1)C2 1782011051 PZQWJLNUPSTJBA-XMSQKQJNSA-N 437.456 0.483 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1782781709 ZMKPCPVIZQUBKW-QFIPXVFZSA-N 428.489 0.835 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783577151 PNZQDCYIAYCWCM-BTYIYWSLSA-N 435.477 0.304 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785352454 XKOMUKGKFDWNLT-JOCHJYFZSA-N 430.505 0.856 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)CCC1 1785368978 AEUGOACPPSDYTG-FQEVSTJZSA-N 429.433 0.280 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376770 VRTWJPITMSXGBW-KKSFZXQISA-N 449.529 0.448 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1785378786 QHKNBMZCUNMYAZ-JOCHJYFZSA-N 428.489 0.099 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1785381699 BAAZEGNUEKRSNY-QHCPKHFHSA-N 440.500 0.779 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859147 OQJXBXNPXTWMMD-XSLAGTTESA-N 431.541 0.176 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CN)c3ccccc3)[C@H]2C1 1786919758 KJVUYOCDSYPNJI-CSXCKWSPSA-N 440.544 0.567 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1788524488 GLZZMUBUTYCEMX-YVSFHVDLSA-N 427.505 0.937 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)n1cncn1 1788637469 UIXGEMPSELYDNM-VJANTYMQSA-N 429.521 0.517 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1788661192 FMRWJTPGPYLIOZ-XFARZBPLSA-N 436.509 0.021 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)N(C)C)C[C@@H]32)c1 1789256198 VWFJBCQOVDFJFX-SNRMKQJTSA-N 443.504 0.431 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cc5cc[nH]n5)C[C@@H]43)c2c1 1790329752 RDFUMWMHFRWGCT-FNHZYXHNSA-N 433.472 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Oc3cccnc3)[C@H]2C1 1791650614 VQCIEVHSVOUFLS-NIWGMWRLSA-N 442.516 0.687 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)cc1 1792558783 PGALLBOFEGAQGB-JHDGKUDLSA-N 447.495 0.515 30 20 ICED Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793885938 DFQNRRIFUSBZQO-PEQOSZPBSA-N 434.493 0.953 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)cc1 1799644769 KMPZPXRNUVTRGG-ALXJQNPVSA-N 426.502 0.866 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801403026 VIQCSXJVZDXICI-AYWDWDCISA-N 429.521 0.910 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2)NC(=O)OC(C)(C)C 1801928249 QXZVOBQERXGHHL-CLWJZODNSA-N 438.569 0.997 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992336 GBYZLZDFFZYMLY-HEFCWWFNSA-N 428.489 0.393 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1808456028 ZYSVNPJHVBHFBG-OXJNMPFZSA-N 439.472 0.994 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815854733 WEBYDJNIGKUIPU-HTQZYQBOSA-N 441.560 0.839 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)[C@@H]4SC(=N)NC4=O)C3)C2)C1 1829668123 HEBSVYJGUZOKET-KPHUOKFYSA-N 436.534 0.211 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3C)C2)C1 1829764362 KIMQYNGBWWQKCR-BBIZLLLXSA-N 434.518 0.380 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904369 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QWUOEBKFSXYKDT-IBGZPJMESA-N 431.474 0.130 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C)n1 1835677480 KAVLEMLGJQBINV-JOCHJYFZSA-N 446.552 0.334 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1835713400 VUFJOJHUPCROJA-ROUUACIJSA-N 438.569 0.194 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836937313 ZVXDUEXLUHZOIR-OPAMFIHVSA-N 426.473 0.671 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1837493649 PKLSVYQBTCDMPR-QWIQJREVSA-N 432.517 0.034 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cccn1 1837567687 SVJQZUHDCHRWIW-BWABGXRHSA-N 429.477 0.613 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1)c1ccccc1 1837612522 GIESYQZQWLODDX-XXBNENTESA-N 441.532 0.123 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1838580859 URXBUATYNVJVFX-NRFANRHFSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4S)C3)C2)c1 1838732750 AKTNUPGLAVVJOT-HXUWFJFHSA-N 427.486 0.954 30 20 ICED COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131289 VZDDINTWLMSHEI-QHCPKHFHSA-N 445.516 0.992 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1839810480 YZZMGUZDBSOKCT-QHCPKHFHSA-N 441.484 0.345 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1840081433 NGGLEUBJCPOPIR-QFIPXVFZSA-N 440.456 0.040 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840161548 SZZCWXRIWGXKPP-VFNWGFHPSA-N 448.545 0.115 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840168921 YMXOBLHAYMPINB-PKTZIBPZSA-N 441.484 0.981 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841298481 PDPJLBJEMZCNGS-HUUCEWRRSA-N 425.526 0.649 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842240649 JLSOSLFWHSARAJ-YDZHTSKRSA-N 447.561 0.915 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)CC1 1843418390 QNSYVLQTFZBUKN-AATRIKPKSA-N 444.557 0.855 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1847090477 VXFJWJVXKPSUBI-HNNXBMFYSA-N 444.492 0.472 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 62005182 PJASYUJCZDBBQA-UHFFFAOYSA-N 448.423 0.978 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 104895931 ZXPHFSGDVLLLMU-QGZVFWFLSA-N 427.548 0.458 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409545165 PBEATAMTLRLUBQ-CQSZACIVSA-N 428.536 0.532 30 20 ICED CN(CC(=O)N1CCn2c(nnc2-c2cccnc2)C1)S(=O)(=O)c1ccc(C#N)cc1 428223630 PUQZWKNSEJAJQW-UHFFFAOYSA-N 437.485 0.875 30 20 ICED CCN(C[C@H](C)C#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429601790 AOKQXCGZCRWOIT-HIFRSBDPSA-N 438.506 0.378 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 460980392 SORGNTSTKNFHRW-AWEZNQCLSA-N 431.522 0.319 30 20 ICED N#C[C@H]1COCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 461839793 BESFIEIKPPLGES-AWEZNQCLSA-N 434.474 0.520 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 465057028 CEPGMLDOPNPXHF-UAGQMJEPSA-N 447.517 0.597 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 467237767 ZICYFKCHNXUJIZ-INIZCTEOSA-N 438.444 0.719 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 475831015 KKDGIKRWBXKPSH-UHFFFAOYSA-N 436.480 0.760 30 20 ICED N#Cc1ccc(=NCC(=O)NCc2ccnc(NC(=O)CN=c3ccc(C#N)c[nH]3)c2)[nH]c1 478214814 VLUWAMJUKSBXFI-UHFFFAOYSA-N 441.455 0.238 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1 478846100 QKUXUGRQBQXKFO-MRXNPFEDSA-N 428.510 0.971 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c(C#N)cn1CCOC 481434673 KXMVMYSIQVDFDQ-QGZVFWFLSA-N 436.465 0.961 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2=O)cc1 488652718 ZASKPDVPBSCNPC-GOSISDBHSA-N 429.440 0.995 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 503219435 NYQXIPSTPZPWAU-UHFFFAOYSA-N 436.471 0.076 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C#N 504181137 HPYIOHNDUOCMMB-UHFFFAOYSA-N 439.501 0.230 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cn1 508449615 LOSVCEFUCIOYOQ-INIZCTEOSA-N 437.847 0.944 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 512444608 QLGIOHWJEFFULL-FQEVSTJZSA-N 448.593 0.148 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 515880516 RUEHCYSCIIKXTI-UHFFFAOYSA-N 427.505 0.208 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CC1 538069375 ZOTSZQKZBWMKOA-UHFFFAOYSA-N 426.477 0.684 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OC)CC2)cc1 538767541 QUDJSIMBWMMECJ-UHFFFAOYSA-N 429.473 0.966 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1NS(C)(=O)=O 540232640 VDDMHQQJADUUGJ-UHFFFAOYSA-N 442.501 0.921 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546910739 QZOZAPDWWNJPES-UHFFFAOYSA-N 431.460 0.914 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(O)CCN(C)C3)nnc12 547277911 HJXRIWXUBBVDSM-FQEVSTJZSA-N 428.518 0.505 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)c1 550586151 FHGHLAYQIAJBPZ-UHFFFAOYSA-N 430.486 0.416 30 20 ICED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C1 550979040 HXLWATFPHUJMCZ-ROUUACIJSA-N 425.533 0.823 30 20 ICED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554695472 GFAHQHMVIUBLTH-SFHVURJKSA-N 435.488 0.290 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CC(N)=O 559444777 HLKXEADUUMDEBZ-UHFFFAOYSA-N 444.460 0.505 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cn1 559476253 PVLDRWQEQQILBF-UHFFFAOYSA-N 442.501 0.150 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561130106 NHUVRMBHTRZZOD-MJGOQNOKSA-N 443.523 0.915 30 20 ICED CCN(C(=O)[C@@H](C)N1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 564396681 FERRDVITUTVWPH-CABCVRRESA-N 425.580 0.869 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c1 569537992 PVCDSMICFJFHTA-UHFFFAOYSA-N 436.471 0.347 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cc1 588347343 NCWUPUDAAUQXNY-UHFFFAOYSA-N 444.513 0.889 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 609749643 LMJCWOZEINKBEC-HNNXBMFYSA-N 429.458 0.834 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 615045018 MMEMAUPIAYZDJZ-UHFFFAOYSA-N 432.506 0.352 30 20 ICED C=CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CCS(=O)(=O)C1 727102956 AWVLMSCTEYNMOY-SNVBAGLBSA-N 444.311 0.094 30 20 ICED C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 734171712 HDDQICPAXHEXTG-UHFFFAOYSA-N 435.550 0.018 30 20 ICED COC(=O)[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(C#N)cc1 740178587 MYFSCXXCXQOWNE-PBHICJAKSA-N 433.442 0.481 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCC(O)CC1 748370273 QVKUZYQFNMBONR-UHFFFAOYSA-N 442.541 0.998 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c1 758198027 QKGNLEFUBKDWLC-IBGZPJMESA-N 426.473 0.698 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 762606775 YQDJAZJGFZKQBR-HNNXBMFYSA-N 431.474 0.454 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772280646 ZBWZWVLOVQAWFU-UHFFFAOYSA-N 427.526 0.999 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCO1 775798203 IUOGLLGTWXXADF-QZTJIDSGSA-N 436.490 0.198 30 20 ICED CC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc2[N+](=O)[O-])CC1 776140796 LELHGAJGFNSZNF-UHFFFAOYSA-N 437.478 0.873 30 20 ICED C#CCN(C(=O)C(=O)Nc1c(C)cnn1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 783479529 CTDFXPUDLVKMME-INIZCTEOSA-N 432.477 0.966 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1 785003207 BTOVXXQBEIPKHE-ILWUXDPISA-N 449.533 0.598 30 20 ICED CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCNc1ncccc1C#N 787787416 KFOLPERDAPYSIT-MRXNPFEDSA-N 429.502 0.850 30 20 ICED N#CC1(CNC(=O)C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)CC1 797544953 MSFKFHDOHRAUIB-UHFFFAOYSA-N 441.460 0.719 30 20 ICED C[C@@H](C(=O)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)n1cnc(C#N)n1 798841539 MFTGXESAONOBEL-ZETCQYMHSA-N 429.212 0.887 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CCc1ccccc1 800682487 LOXYWNUZFPZTMD-INIZCTEOSA-N 449.554 0.999 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)NCC(=O)NCC#N)C(F)(F)F)CC1 807553619 VPUNMNBOAHGQMD-LBPRGKRZSA-N 436.435 0.409 30 20 ICED C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC)[C@H]1CCS(=O)(=O)C1 812165037 WPAZDOCGKIPAKY-AWEZNQCLSA-N 442.501 0.867 30 20 ICED N#Cc1ccc(OCCOC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914667821 HZNPURZJTDGFTM-UHFFFAOYSA-N 429.454 0.915 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1286908292 YRRUGPCTKVHNGP-QGZVFWFLSA-N 431.522 0.471 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 1314875688 RXRHGQQRYXQHGW-QGZVFWFLSA-N 434.522 0.893 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1316528238 VFHZKFYZPOVXSX-YWZLYKJASA-N 427.440 0.584 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(CCCN1CCOCC1)Cc1ccncc1 1318484997 YWDASTGDQWDFCL-QZQOTICOSA-N 442.520 0.842 30 20 ICED COCC(=O)NC1CCN(c2ccc(C#N)c(N3CCC(NC(=O)COC)CC3)n2)CC1 1320799022 ZEDARUCLCSGZOI-UHFFFAOYSA-N 444.536 0.416 30 20 ICED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC(O)(CC#N)C3)c2)CC1 1321087292 LSSLZWSQHSNOIT-UHFFFAOYSA-N 426.926 0.767 30 20 ICED N#Cc1cn(CC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)c(=O)nc1O 1468084340 XFXDZLKCEVVKTF-LLVKDONJSA-N 439.241 0.690 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 1475952427 MSMFVXBNCNKVCA-UHFFFAOYSA-N 431.493 0.598 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539349553 PWMXVLXEUCDZBH-DOMZBBRYSA-N 439.877 0.363 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1541935470 ODNSEHXLGRFYDJ-PBHICJAKSA-N 426.543 0.560 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)cc1 1619211198 UZQKIGDNXCZZFV-FQEVSTJZSA-N 439.520 0.847 30 20 ICED N#Cc1ccccc1OC[C@@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1658332911 YNOYWRQMKOQMSN-HNNXBMFYSA-N 436.456 0.749 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)CC 1694327638 RLHGEEXQWFUHOE-KRWDZBQOSA-N 429.522 0.578 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC2(O)CCOCC2)cc1 1731183916 YRQWJBXGQWOFMR-KRWDZBQOSA-N 440.504 0.972 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1743482264 NZXIRJHBCIIGPQ-LZQZEXGQSA-N 440.570 0.902 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1751278399 VFQOJINHBQJEHP-CLCXKQKWSA-N 435.554 0.783 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778721433 FIYLQCZJIVVNQJ-UZQCKINESA-N 438.484 0.232 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1778779627 PZIHNZHIQVGWTL-KNQAVFIVSA-N 444.488 0.385 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779017287 JYKOARVKBBIWCB-KURUZVKSSA-N 425.493 0.645 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779104064 FMRQBIYDMUOCDX-OVIGCCJXSA-N 449.533 0.928 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccccn1 1779104622 NBKMCIZPJOJKER-DOHGWEBSSA-N 431.493 0.440 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1Cl 1780193444 ZLMYVGYTDJOODF-OAQYLSRUSA-N 442.859 0.580 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781960137 RHUVTBRZZACIQR-LXHZQTKUSA-N 426.448 0.999 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1781966018 CDUCZPUSMFCCDV-OAQYLSRUSA-N 438.419 0.344 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnccc1C(F)(F)F)CCO2 1783556608 AOSIPAPXLGVOLK-IBGZPJMESA-N 439.390 0.951 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csc(-c3cccnc3)n1)CCO2 1783561877 NUOVCCNOAGZJBW-HXUWFJFHSA-N 426.454 0.737 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783884886 FIWSBBKUNYDYDR-QKKBWIMNSA-N 431.514 0.821 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1783901131 URAFBAXUKSHXMF-SPLOXXLWSA-N 429.498 0.878 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783927832 CICAGRJGBRWOCR-NHCUHLMSSA-N 433.436 0.757 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783981523 YENIPQNVSFGVSF-GOSISDBHSA-N 442.369 0.819 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1784503543 DAERYFSNBRDHCQ-XWSJACJDSA-N 446.548 0.858 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1784504962 VUXRXRVSBUENEA-AESZEHBQSA-N 446.529 0.940 30 20 ICED Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786838481 XSOIGQGLFDYKTE-VDTLCNNRSA-N 435.481 0.688 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)o1 1787028844 NZFWQAAAPPIPFM-BZSNNMDCSA-N 430.505 0.599 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660596 ZKKPMOBGHKKPFD-KKHGDKKTSA-N 446.504 0.508 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511524 VQVCCQTUYHZPDJ-ORGXJRBJSA-N 429.473 0.767 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789759562 FVSXXOZCXUKKRS-JBDAPHQKSA-N 431.920 0.394 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1789894805 HSQKHHVYMMBAIV-ZOPGNSJXSA-N 428.489 0.979 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705833 ZLJNOFWOMUZETO-XMTFNYHQSA-N 441.594 0.869 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1NC(=O)C2=O 1798206087 KQBISHLNDNEDNJ-AWUZYYAWSA-N 436.468 0.932 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800673846 WDVIKVDJAYAXCX-PNBKFKSVSA-N 426.514 0.902 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802914864 QVFUVDNDHWLMIP-IKGGRYGDSA-N 448.520 0.868 30 20 ICED O=C(COCCO)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1808615204 QJFOPGOKUUUAET-DENIHFKCSA-N 429.517 0.795 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810489938 LYHCHAZOKULGHU-CQSZACIVSA-N 429.481 0.249 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829715106 MUNBQUDFOSSFAA-YLJYHZDGSA-N 442.582 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1829769216 NYOXBRVBCRIYKA-KOIKXXGWSA-N 431.464 0.754 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829960315 MSGZYBDRGDQDTA-FDDCHVKYSA-N 440.500 0.463 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1830060467 VYXDCWBLXPMGOR-JOCHJYFZSA-N 438.488 0.887 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1830642552 DGZUXBOWALPHJF-GBXCKJPGSA-N 448.608 0.847 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1C(=O)O 1831209004 FVJQLLIKFXVRSJ-QFIPXVFZSA-N 444.488 0.646 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831426987 NTWAMGNXFFIPJE-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833046671 KTAABSKWOHDVDL-JOCHJYFZSA-N 432.521 0.950 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)c3ccc(C)cc3)CC2)CC1 1834544586 ADMQSQWORJGGCW-UHFFFAOYSA-N 431.558 0.974 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1C 1835677078 IAJABUPYLGPEPA-JOCHJYFZSA-N 431.537 0.685 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1 1835682236 CSDWJZSDGFTRGU-GCJKJVERSA-N 431.537 0.787 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122378 HBJAWUPQAHPLLR-XXBNENTESA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1837402227 FVYXSHIHAAHNEJ-AUSIDOKSSA-N 448.564 0.609 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(C)n1 1838043606 RSCASOJVHOEOEP-ZZAWEDPDSA-N 446.552 0.524 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838349653 OXKVIEVZRPQKQG-UKKLRFBMSA-N 446.508 0.027 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnc(Cl)c4)C3)C2)c1 1838732455 SLNOQXDWKUNHNY-IBGZPJMESA-N 430.852 0.714 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1839175677 YELDRTBJXPVKRJ-OAQYLSRUSA-N 433.461 0.367 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839176630 ZJCJCSAHIWKFHW-OAQYLSRUSA-N 433.461 0.367 30 20 ICED COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839224139 NVFYXUOBMQHUEF-IIBYNOLFSA-N 434.493 0.961 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839227129 KDCCVLWZWMVUBE-LLGFUMIMSA-N 425.526 0.817 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1)C(F)(F)F 1839894733 OEROGZUWNUPMAC-SFHVURJKSA-N 433.427 0.574 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839952896 IPRLXBUNJUWKPX-JPYJTQIMSA-N 430.501 0.732 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1840157243 ISTAKHJJQKEROS-GCKMJXCFSA-N 436.530 0.991 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1840162344 USUXZVJZZOZREB-FOIQADDNSA-N 431.518 0.656 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(-n2nccn2)c1 1840162352 VDJVIBWFURLOIA-HRAATJIYSA-N 445.545 0.964 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840193705 QLFVUYJRNLOOSJ-NRFANRHFSA-N 447.513 0.640 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840194834 HEUUPDINSVREOO-YLJYHZDGSA-N 430.567 0.540 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840492169 GLXVXVNGTHMTPE-IVEDSDBVSA-N 443.504 0.921 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840842090 LZRKXOSLPHERND-QHCPKHFHSA-N 438.484 0.649 30 20 ICED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CC4(CCCN4C(=O)CC#N)C3)c2C1 1842622677 MMDRYUHXGHGKJZ-UHFFFAOYSA-N 429.481 0.759 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)[C@H]1SC(=N)NC1=O 1844282523 ACJCLIUQOZZDSW-GOEBONIOSA-N 432.546 0.691 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1845200143 OQXWXLQPLVKKFI-HNNXBMFYSA-N 433.513 0.736 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845207028 WASDCHOAFYAADE-ZHRRBRCNSA-N 435.521 0.912 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C[C@H]1CO2 1846196317 KXORLSJPQNQTOR-QKKBWIMNSA-N 433.461 0.056 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847473685 XHHHJTGXXJWHRJ-IRXDYDNUSA-N 436.859 0.938 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847784625 KFPMCEHCKQHHIY-XLYLPTMESA-N 430.527 0.045 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)ccc1F 105921046 BQCPUMZZZLDBCI-UHFFFAOYSA-N 440.541 0.916 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 434088848 YRQSLADVUJPXRC-INIZCTEOSA-N 428.536 0.107 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 434377456 OBFUARTXMGBTCM-GOEBONIOSA-N 427.486 0.651 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1 441772461 XXMRVSQQUDBBBX-UHFFFAOYSA-N 443.895 1.172 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCOC1 441943486 BFLFSYOVOQXHQM-ZDUSSCGKSA-N 449.554 0.282 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc21 446528336 VBFXCLJLYLSGID-UHFFFAOYSA-N 440.504 0.400 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 448472388 OLGXJKTXCVCBPH-UHFFFAOYSA-N 432.481 0.902 30 20 ICED N#C[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@H]2C#N)N1Cc1ccccc1 463961726 BWDDFEYXQKGVIN-UJOPUZHASA-N 437.500 0.522 30 20 ICED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 472275155 ISMRDRWRRFPYCX-ROUUACIJSA-N 427.553 0.582 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C)cn2)c1=O 474335975 GHJNZLAUYQEWRX-UHFFFAOYSA-N 440.525 0.692 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480790364 VUTXPKWGEVLCKH-CYBMUJFWSA-N 436.515 0.450 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481153046 GFJXEWZTLKYQHJ-ZMSDIMECSA-N 436.534 0.615 30 20 ICED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 484560910 IJNWDRPVHRDWMM-UHFFFAOYSA-N 426.495 0.562 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C 498986152 RKXKHCDHTBUABL-PMACEKPBSA-N 434.562 0.326 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1 509769964 HHNLMLNPXCKXAM-CQSZACIVSA-N 445.505 0.019 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)c1 513352487 QGCYHRQKIDCDFI-UHFFFAOYSA-N 446.467 0.890 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1C 514918849 WQOYWNCAPIHTHK-UHFFFAOYSA-N 437.468 0.931 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCN(CC)CC2)C1=O 515076494 ZPJPVWLFPNFATO-OAQYLSRUSA-N 441.576 0.686 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 515624681 GOTVXJIBQQVXQJ-UHFFFAOYSA-N 429.506 0.355 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCN(C)CC3)c2=O)o1 518714660 YSBOCZROSNVBSD-UHFFFAOYSA-N 442.541 0.440 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C1=O 522258702 KEKUYTBWCVLUBK-INIZCTEOSA-N 434.880 0.806 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1C 534195216 HMBCOXPZYKBNCG-QGZVFWFLSA-N 444.517 0.840 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 539942235 LQLKGJFAJKWQJH-UHFFFAOYSA-N 446.485 0.502 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540559874 DBOAQKHFMDFLCX-HKUYNNGSSA-N 444.605 0.742 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 540791600 SIPYKUHBLVCRKX-UHFFFAOYSA-N 442.925 0.872 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544727163 BRVFXRTVRPGRSF-UHFFFAOYSA-N 443.481 0.029 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 549258346 LBHHOHGKOFECMT-CALCHBBNSA-N 442.586 0.867 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 550779181 WCDXWGVLSNAICG-JOCHJYFZSA-N 440.592 0.757 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)nn1 551450108 XOSIMHHRZCFMEJ-UHFFFAOYSA-N 435.400 0.879 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)cc1 561931337 OCXNTYCCSGJNDU-MRXNPFEDSA-N 431.522 0.858 30 20 ICED CCc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)ncn1 569616638 TWHLSOLNHWXPMN-UHFFFAOYSA-N 448.531 0.739 30 20 ICED Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 581003917 NPBGEGIWRKDCBM-GOSISDBHSA-N 449.515 0.248 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 584491057 UNPBZADQUUWHPN-ROUUACIJSA-N 448.470 0.817 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119874 QTGCRCKXILCKOY-UHFFFAOYSA-N 429.523 0.281 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(F)c2)c1=O 604270361 WVYYDGKGCCAIME-UHFFFAOYSA-N 442.516 0.699 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911283 YNHWBGUXXMXREC-UHFFFAOYSA-N 439.324 0.730 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)nc1 608994834 SIWOLAKEMWIGIB-UHFFFAOYSA-N 441.536 0.108 30 20 ICED CC1CCN(C[C@H](O)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609710336 AKJYYTUUSBAUBH-RTBURBONSA-N 427.505 0.972 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1Cl 730407636 NECCMKYTBDKWOY-NWDGAFQWSA-N 445.906 0.052 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 730531664 VBHIUMJOKOSGSJ-HAHDFKILSA-N 429.462 0.523 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cncc(O)c2)CC1 732394816 WLSOIKVCSMXJRL-UHFFFAOYSA-N 430.442 0.349 30 20 ICED COc1ccc(-c2noc(CCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)n2)cc1 732908291 IRIOGZPRROHKPA-HNNXBMFYSA-N 432.458 0.644 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 746572786 DEAFHDYHWVLAHZ-UHFFFAOYSA-N 433.442 0.645 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCNc3ccc(C#N)cn3)CC2)cn1C 747703340 NSLWREJQYUDNMK-UHFFFAOYSA-N 431.522 0.624 30 20 ICED Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1Cl 748425760 FRPSNOAKLCGOKA-UHFFFAOYSA-N 439.881 0.982 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H](C#N)C1 749655656 OGMMIBHUQHTBRC-HNNXBMFYSA-N 449.533 0.668 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 751922939 GRZXIKQDFLFUMY-RYUINCLNSA-N 441.517 0.877 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 755544896 GRKWDDRCBVTLTB-XJKSGUPXSA-N 445.476 0.755 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 756886020 MUPKPVVLVQKLPF-UONOGXRCSA-N 440.526 0.272 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnc(C(C)C)s3)c2=O)cn1 758586287 XVGYHMBZUKUNJS-UHFFFAOYSA-N 428.543 0.944 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777017507 HGSAMCVULONWJC-VNQPRFMTSA-N 425.507 0.440 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)C[C@@H](C)O1 781983994 HAUMHEMTDQEVKR-OKILXGFUSA-N 446.489 0.782 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC 782639519 DMLCBZKZQJEZKE-UHFFFAOYSA-N 438.351 0.845 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 783347565 PSEFKSUPNKQPKI-UHFFFAOYSA-N 431.536 0.419 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800010714 YDLOPKCUNWNOFZ-CQSZACIVSA-N 425.536 0.479 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)cc1 800382345 VPJLPEJYVZLDJM-UHFFFAOYSA-N 428.470 0.326 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 802607665 BWUZJIADASNXNZ-CZUGFQSVSA-N 436.490 0.064 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCCc1ccncc1 805982554 FEEVQEMMHFMNMI-GJZGRUSLSA-N 430.486 0.911 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 807067006 SHLPQFMONZKBJC-MJGOQNOKSA-N 449.511 0.900 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807783432 MZOMMMCNPRCFDZ-AAEUAGOBSA-N 427.445 0.514 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)n1 809614568 NKASLNOVEZKUKU-KRWDZBQOSA-N 435.488 0.949 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)c(C(F)F)n1 812276671 ORSTVIAHHWUDJJ-UHFFFAOYSA-N 426.408 0.696 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 813979752 BQBPWLRJTXODAV-UHFFFAOYSA-N 434.499 0.302 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)cc1 878407717 ZILWCBGGNDWHEH-IBGZPJMESA-N 449.529 0.470 30 20 ICED CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1287096610 ZVMBBQNLKMMFSY-HNAYVOBHSA-N 440.545 0.733 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1nccs1 1303689889 WFKSYLDOTNQZRQ-AGIUHOORSA-N 425.540 0.877 30 20 ICED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1316366439 LYGXLHWGKGFRCB-INCQDFKNSA-N 428.518 0.951 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc12 1318832394 JHRCYZWLIIXYKS-FOTIKMNESA-N 430.490 0.704 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2=O)cc1 1327866068 IURJIRYLLWDJGA-GDBMZVCRSA-N 429.458 0.574 30 20 ICED N#Cc1cc2c(n(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c1=O)CCC2 1459283993 PTWPFRWVJIBMMC-UHFFFAOYSA-N 440.525 0.883 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1471538535 OYDQTXHWOFGEQN-PKOBYXMFSA-N 449.577 0.138 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 1473472709 UBLNCMYKMKKYGZ-MRXNPFEDSA-N 430.552 0.082 30 20 ICED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cn1 1504275772 NPIACFAVYXLQMQ-GOEBONIOSA-N 449.537 0.659 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CCO1 1712883743 YFOVFSKFSBPXEO-INIZCTEOSA-N 426.481 0.376 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726778065 LDAQBHWPFLDOQX-QRWLVFNGSA-N 447.517 0.503 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1747449120 OAAQTXFXIXKTLJ-CQSZACIVSA-N 438.485 0.664 30 20 ICED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1767435032 LFWJEXPQBBLOKM-LJQANCHMSA-N 440.570 1.000 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@](C)(O)CCOC)CCOC1 1767473870 RPIOKCGAGWUHDE-BVYCBKJFSA-N 448.568 0.894 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1767485415 VSQMKSIQSFYVCU-DYESRHJHSA-N 434.541 0.770 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1768522825 VHEGIPDZRMSZLD-KRWDZBQOSA-N 436.473 0.259 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c(Cl)c1 1778855596 WSKBGHVVYDHLTM-HXUWFJFHSA-N 443.895 0.988 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937705 ZXOXLRGFCFMMFF-SMASLZHESA-N 445.520 0.276 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c1 1780174897 UGVQRPWAJOYGCG-YLJYHZDGSA-N 441.448 0.819 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939702 IIGIOVUEHCFBHL-QFIPXVFZSA-N 444.557 0.915 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)ccc1F 1781302551 RKWJWEWRWDLGPP-HXUWFJFHSA-N 444.492 0.980 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854204 RCELMCXDCDZQJT-QEEYODRMSA-N 427.498 0.251 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782670387 IDRPPHYOADNICQ-PNLZDCPESA-N 445.520 0.831 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782670437 IDGDVYZCCZDKNN-JOCHJYFZSA-N 437.456 0.505 30 20 ICED COC(=O)C12CCC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)(CC1)CC2 1783565782 ZBAROARFUSIMQW-LZBANZJXSA-N 432.473 0.418 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1785382828 FZAREHHVKGYODB-QFIPXVFZSA-N 437.456 0.024 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)C[C@H]3NC(=O)NC3=O)CCC2)cc1 1785835969 MAJYXXWRSCGJFA-HLRDLLSLSA-N 439.472 0.577 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c(O)n1 1787090615 JXGMMPVCWPZQAA-WBAXXEDZSA-N 441.492 0.186 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c4nccc-4c3Cl)[C@H]2C1 1787348045 NQIQFWBNEOBZPX-CQDKDKBSSA-N 430.848 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(OC)c3)[C@H]2C1 1788903818 ZFNQZKKWODNNQG-PKTYMYEJSA-N 428.489 0.542 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]3C2)c(O)n1 1789879921 RWFTVMHPNNTGKO-LNMJFAINSA-N 430.505 0.634 30 20 ICED 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 1791259282 UTVBJCJVXWOKGE-QTVXIADOSA-N 431.555 0.170 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1793262418 IQMZOKYTBPOGMQ-ZSBFGKGUSA-N 427.413 0.940 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2 1793342178 GCRNQNHGYMWLSS-FCQWJQKHSA-N 428.485 0.976 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498769 YPBDVNYTXCJYPG-HBCWATKFSA-N 429.502 0.212 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)Cc1ccccc1NC2=O 1799126118 MXJGJJGIRBIBTQ-MUJYYYPQSA-N 447.451 0.837 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2 1799303542 GCEBYEWMKWPMAM-HGKCTWBKSA-N 441.488 0.750 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCSC(=N)N)C3)ccc1F 1799325630 PGFTVDVYYYEGNW-CCWDJLKJSA-N 433.509 0.846 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800897516 ZVYCXWLEMQHTTC-FEJSZKPUSA-N 440.500 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1815194814 MENWEXMVWOCUTC-GOEBONIOSA-N 427.461 0.755 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CC(c3ccccc3)=NN1)CC2 1825671573 JGTNPICIWLQASL-BBRMVZONSA-N 437.481 0.909 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458024 JEDOKOSPLJCMKJ-QHCPKHFHSA-N 437.500 0.995 30 20 ICED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830469521 AXOZTOIDDOGJDM-VGOFRKELSA-N 445.903 0.284 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831391509 CTIISXRDIVLOGW-VGOFRKELSA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1831399219 RTXJFCNAIUWYLJ-WZONZLPQSA-N 440.500 0.751 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831423975 AJNNOKLKXUMDAO-AOMKIAJQSA-N 432.521 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831425351 CPSKZJGIULZCFE-HTAPYJJXSA-N 432.521 0.881 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831434688 FPPXAKJQFRHZRE-YCRPNKLZSA-N 449.460 0.962 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831435125 LZEWPYIJJVSBRZ-BTYIYWSLSA-N 449.460 0.962 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831491713 FERIAXNAJLOZPS-HNAYVOBHSA-N 438.506 0.199 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831686997 GTWJHAAJQCPRPA-IERDGZPVSA-N 425.526 0.196 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)nc2s1 1832109709 ACOMYYJYYDADSV-XIKOKIGWSA-N 439.563 0.416 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C(=O)OCC)CC3)CC2)CC1 1833469447 XKASTWQFZKPIRV-QGZVFWFLSA-N 433.549 0.940 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1834251075 KQKKPHZYOXYIRH-JOCHJYFZSA-N 439.472 0.441 30 20 ICED COC(=O)C12CCC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)(CC1)CC2 1834761195 SQDSMLLFHUTWBZ-LZBANZJXSA-N 433.505 0.870 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836893562 AOQXTMCDYOPUDV-IIBYNOLFSA-N 444.492 0.600 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152894 HOPVBMPUDUUNJL-HSZRJFAPSA-N 425.485 0.804 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1837395148 QSXAMURQMDCUAO-DYESRHJHSA-N 434.493 0.255 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1837398756 HGLDBRUBDPFCEA-JLHGSKIFSA-N 447.536 0.307 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837490930 GFGUYVCAMOXOJR-HSZRJFAPSA-N 445.491 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837524991 RCWQJROOTZHNRP-LQWCGFJLSA-N 449.508 0.328 30 20 ICED CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCO1 1837527869 YTKZAVZVVHJAKE-ZISMNVMJSA-N 437.493 0.666 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838533071 IKMWRGBVPCBIAZ-YVABFXQFSA-N 442.472 0.167 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068099 VDJFVNSQADMCBY-GCJKJVERSA-N 437.537 0.294 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(Br)ccc1O)CCO2 1839137774 MUJNSKWTSFBHMD-IBGZPJMESA-N 437.290 0.787 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1839842511 XMYRDGQRKMILIL-ZHRRBRCNSA-N 445.520 0.299 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840158745 QBYXLXZWKDXCRV-BDJLRTHQSA-N 436.456 0.827 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840167729 JDIXZSBZHKREKH-URXFXBBRSA-N 425.529 0.961 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840176349 CDXQCHGOLWBUCG-RTWAWAEBSA-N 442.509 0.041 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345519 SWTMVHHBXFWJOK-DENIHFKCSA-N 432.521 0.385 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cccn1 1840441986 NJALWWPFJMHNKG-YKABMDOLSA-N 429.477 0.613 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4ncccn4)C3)C2)CCC1 1840812630 BOYKBUVZRBXVNC-HXUWFJFHSA-N 431.518 0.719 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840819003 JRBOCTXOAUGGCB-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1841748502 AHDINPGOUKAWRG-HUUCEWRRSA-N 433.513 0.907 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845769493 OOSXYZLKONFNMV-INIZCTEOSA-N 426.521 0.685 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(SCC(N)=O)s3)CC2)o1 31529644 OJDURHZVSGULIL-UHFFFAOYSA-N 439.548 0.725 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C1 409569685 IHLWNWHKNMFKSD-NVXWUHKLSA-N 442.563 0.666 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 434375640 WVWRRVUWTDCFTK-GDBMZVCRSA-N 427.486 0.651 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 464822234 LFQFOTGIAPCSLM-KRWDZBQOSA-N 435.536 0.915 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465153457 SFQVJANBLFOZKZ-AWEZNQCLSA-N 437.460 0.994 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 466428884 SEMVRLRKWJJOGM-UHFFFAOYSA-N 427.465 0.840 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 472049621 SAHJMLRGMUPWPJ-CQSZACIVSA-N 427.431 0.985 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C 472162960 ZKYBSGPRNSAPSB-UHFFFAOYSA-N 445.549 0.577 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 475614262 XMUNVHBUTDAYLQ-ZIAGYGMSSA-N 440.460 0.976 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@H](C)O1 476075810 UHRSFJCRFKKUGN-STQMWFEESA-N 429.485 0.450 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476275502 RRUYUIBDCOWMIC-VBKZILBWSA-N 441.492 0.001 30 20 ICED CS(=O)(=O)CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 480216805 AOUKWZDPLBYJNU-UHFFFAOYSA-N 439.559 0.900 30 20 ICED CN(C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1)S(C)(=O)=O 487493306 AWVJGHVZGZXERB-SFHVURJKSA-N 433.534 0.725 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3cc(C#N)ccc3Br)CC2)CC1 492372061 AZNDXYZEBVPPRU-UHFFFAOYSA-N 442.383 0.931 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5ccc(C#N)cn5)CC4)CC3)ncnc21 497469026 NDIYQRDCMIPHSB-UHFFFAOYSA-N 446.519 0.101 30 20 ICED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 503731589 UNCYPTZMTZVDAB-HNNXBMFYSA-N 440.441 0.782 30 20 ICED Cn1c(=O)c2ccn(CC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)c2n(C)c1=O 508437598 JGQDPTNXIOVDOT-UHFFFAOYSA-N 436.472 0.812 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)[C@@H](C)C1 509012291 PNCFXHQHKGJCKK-KKUMJFAQSA-N 427.527 0.432 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1S(C)(=O)=O 513502346 ZSQSJYVGZHBRBB-LBPRGKRZSA-N 434.453 0.314 30 20 ICED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 514811720 AJPYHFNJVXVYCG-MSOLQXFVSA-N 425.489 0.639 30 20 ICED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 525862895 UCHPFKSNMFLEQR-UHFFFAOYSA-N 426.470 0.936 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527030391 ZZLZQCJTYZWBIY-UHFFFAOYSA-N 434.468 0.752 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1CC(N)=O 527280014 FWQHDCQWDSZDQN-UHFFFAOYSA-N 439.472 0.448 30 20 ICED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 538180461 MFTXVKCKAWOWGK-FUHWJXTLSA-N 449.533 0.210 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n(C)c2n(C)c1=O 542815630 NRNVQRQAOSUBPY-INIZCTEOSA-N 434.456 0.373 30 20 ICED CC#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)O 543785917 AKJZHVZHCJPIJW-LBPRGKRZSA-N 428.410 0.672 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 550271825 YCHFLFVZQJOLNA-UHFFFAOYSA-N 436.516 0.594 30 20 ICED CS(=O)(=O)c1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc(C(F)(F)F)c1 551201404 DJEPZCMLEJKWOE-LBPRGKRZSA-N 427.426 0.668 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1ccccc1 554625257 VWNOJTWJQFZXHH-VQIMIIECSA-N 432.484 0.912 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 555692692 NMKBMOKZGZAOAF-UHFFFAOYSA-N 441.557 0.771 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 562776139 LBMJMXFHHXBGHZ-IBGZPJMESA-N 428.537 0.465 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 574609658 FKWZBDAKSBNECQ-QGZVFWFLSA-N 442.497 0.633 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 580383087 RIAIATGLODDXSE-UHFFFAOYSA-N 427.439 0.201 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 585684892 GWUCQWBOUCZAGF-QGZVFWFLSA-N 439.520 0.272 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCN(CC#N)CC3)c(Br)cc21 610263189 VOLJFICAMFEZGH-UHFFFAOYSA-N 442.339 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccn2C)CC1 610799118 MXNPJRMQSUHPQO-HNNXBMFYSA-N 429.502 0.548 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731765498 UOKPZVVVKHBAFI-UHFFFAOYSA-N 436.534 0.909 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 733049604 NPSIJEDXUQAWNF-UHFFFAOYSA-N 430.433 0.908 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 755626746 CPQDQKGLKDLYFK-HNNXBMFYSA-N 446.554 0.646 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 757896555 GODXEMINDMQWNQ-HUUCEWRRSA-N 430.527 0.951 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 758069343 OTZNWVWUZCPGIX-OAHLLOKOSA-N 425.510 0.344 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758076134 MIJYKHIMTDNZNR-CQSZACIVSA-N 436.493 0.077 30 20 ICED COC(=O)c1cn(C2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)nn1 758964572 VGUUSCVERCIVNK-UHFFFAOYSA-N 437.460 0.995 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 781375652 LGCNIOUGILXNNS-UHFFFAOYSA-N 434.545 0.990 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 784228104 BCDZHQPDZIHDLT-OAHLLOKOSA-N 436.446 0.854 30 20 ICED Cc1nc(SCC(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c(C#N)c(C)c1C 785110587 YLRSVLDWTWEGLA-UHFFFAOYSA-N 428.474 0.988 30 20 ICED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786533558 FULISUJNAOSVPB-IMJJTQAJSA-N 437.905 0.701 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(N2CCOCC2)s1 787755123 PQVIKPBCHXOROP-ZDUSSCGKSA-N 435.531 0.835 30 20 ICED C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787805682 QUKORIOKVWFNQO-BJJXKVORSA-N 439.465 0.444 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 789187487 ZKMPJTOCODGPBR-XHSDSOJGSA-N 441.554 0.955 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)n1 789789000 YFKBUJCTSSGDLA-UHFFFAOYSA-N 429.452 0.971 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 790297139 PISYUSRPCABOGT-UHFFFAOYSA-N 437.585 0.812 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2nnc3ccccc3c2=O)cc1Br 790838315 AXQOFANTOVJLRA-UHFFFAOYSA-N 448.258 0.931 30 20 ICED COCc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 795327309 MDVXAXDREYUDEZ-UHFFFAOYSA-N 431.470 0.843 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O 799145245 OOGDRQPRYCRQIS-UHFFFAOYSA-N 442.520 0.002 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 800782167 JOZGWTMYVUCVLH-ZDUSSCGKSA-N 449.537 0.616 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)[C@@H]1CCCO1 809307995 IMIVIYDSKRKMCY-HKBOAZHASA-N 439.560 0.739 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1C#N 809504524 YRAHVURUTVXLFI-UHFFFAOYSA-N 427.505 0.196 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 815860336 HHDHBTWJMLIBPI-UHFFFAOYSA-N 425.533 0.983 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 821044854 MDONDAHQJTXTBT-HNNXBMFYSA-N 449.471 0.894 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 878407017 IXGGPTRKRJOIKK-AEFFLSMTSA-N 449.529 0.503 30 20 ICED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)CC1 919965883 UWHAIFDUJOPKTB-UHFFFAOYSA-N 439.559 0.713 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(N=Cc3nc4c(c(O)nc(=O)n4C)n3C)C2=O)cc1 920368408 ONGFNVWFTPJXHI-LJQANCHMSA-N 425.405 0.182 30 20 ICED COC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1315803326 JYZGRDCDYNRFOV-CVEARBPZSA-N 442.542 0.012 30 20 ICED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1318516875 MWNCYTPSTQAQNZ-CZIZESTLSA-N 448.568 0.638 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1330904765 SJLPGMYNAOCRDD-FBMGVBCBSA-N 438.893 0.991 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(C)CC2)C1 1334918331 LVEPIFXTKFPBNZ-GOSISDBHSA-N 433.578 0.742 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1359385696 ITASFEIBMJKFMW-UHFFFAOYSA-N 431.522 0.377 30 20 ICED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(c4ccccc4C#N)CC3)c(CCO)c2=O)n1 1442886449 YTQMIHPLDCZLSQ-UHFFFAOYSA-N 447.499 0.941 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1504532067 LPOZHAGGRZAIPP-ZHRRBRCNSA-N 440.504 0.652 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1516029649 YFQSTQZGHYTHDH-MSOLQXFVSA-N 448.549 0.996 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1559453153 QCANHHASVTYAJW-QGZVFWFLSA-N 448.545 0.873 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@@H]1C 1611707540 STXIIJDLJMQXGM-YXWQFLTLSA-N 445.553 0.846 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1612502861 NMIKEIZJSCZQQJ-INIZCTEOSA-N 428.497 0.151 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1617620620 PWAIGXABUSDBSR-UHFFFAOYSA-N 437.504 0.923 30 20 ICED N#CCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1648963122 MBHHZQKRYCSBSP-RDJZCZTQSA-N 426.926 0.522 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1696863055 CSRAUMHMPCJZGQ-MRXNPFEDSA-N 434.526 0.133 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1697174469 SFDNUEHKWKRJIY-BMFZPTHFSA-N 426.543 0.774 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1698490343 SOZBZVMOWXFGIF-QZTJIDSGSA-N 436.582 0.767 30 20 ICED CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1768015056 QZXWIJSOWKZCGN-GOEBONIOSA-N 434.522 0.959 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1770325625 PGOUFHLFTGCQMS-FXAWDEMLSA-N 447.517 0.503 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c2ccccc21 1778162272 RAQDCVRNEMTYAV-JOCHJYFZSA-N 425.489 0.720 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1779065282 YLJYKTKFQNXHHY-NRFANRHFSA-N 432.546 0.918 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1ccnn1 1779363538 CFNBNWRVKRARPT-OAQXXOLNSA-N 431.541 0.825 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779412041 SPCFEJJOBHRILK-LSTHTHJFSA-N 427.567 0.070 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1780015828 CZIOSOADFWIJIG-OXJNMPFZSA-N 433.534 0.729 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COc2ccc(O)nn2)C3)c1 1780181911 WMVBDPIDCGVQGX-IIBYNOLFSA-N 440.460 0.588 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)ccc1F 1780754335 NJDMGGZBNJBHIN-NJNPRVFISA-N 444.463 0.862 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783195359 CBCHJQNTCJQNSO-IBGZPJMESA-N 428.480 0.192 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1783566789 IMZLMQXLZNKSKO-FQEVSTJZSA-N 429.385 0.061 30 20 ICED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783666183 BFTQADJXDSCPOC-NRFANRHFSA-N 434.493 0.400 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1783897364 RKGLZFPOFARGGV-SGTLLEGYSA-N 430.523 0.991 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1)C(=O)O 1789268115 RVUCIYGJISJSMJ-HJWJTTGWSA-N 448.907 0.868 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C[C@@H]21 1791079024 VQVCVSWUUBMDFP-XEGUGMAKSA-N 431.836 0.293 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)c1 1791348421 VHQWZVMJEGKKJF-MRHSLFKSSA-N 428.464 0.817 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1791438236 SBTJMQBQALTGSD-UFYCRDLUSA-N 426.517 0.985 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C3)C1 1792442572 PEBBDXSRHTZEGN-OIMFZILRSA-N 449.548 0.914 30 20 ICED C#CCO[C@H](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 1793350083 YNINJHRDPSJDCZ-UJWQCDCRSA-N 447.532 0.531 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CC2=O)c1 1795079694 MJCVDSPZUBFJCX-CMBDLQSPSA-N 426.473 0.551 30 20 ICED CCn1c(-n2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cc2C)cccc1=O 1795081137 PSJIDWWBLJAJDJ-VPTLXERWSA-N 438.488 0.479 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795081878 QOSRLKYPZZJPAG-ORDFZIBCSA-N 436.509 0.108 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796923469 GJZGVVIWDBDCII-UPHUGPLXSA-N 442.520 0.927 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797939557 MBBWZOHNMWNWSD-RACNMONISA-N 429.904 0.972 30 20 ICED 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)C1 1799233891 KJTCSQGNNQTZGU-GGXPGOJBSA-N 449.504 0.311 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C(F)(F)F 1799683709 KWKZRDQTEXAVNL-GFQSEFKGSA-N 437.415 0.538 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809597870 BYMLZCGXLLYEPA-RZUBCFFCSA-N 443.592 0.908 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810287521 ADLPQROWYQFGCK-CEMARSOISA-N 430.509 0.915 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1811887585 MMBHRENQRIFSFD-ZVDOUQERSA-N 434.500 0.866 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1 1814439468 KLVQXBQUFJLJCQ-WLMCBFPDSA-N 426.481 0.942 30 20 ICED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1823664158 VQBOPIMPAIJVJZ-BXUZGUMPSA-N 444.492 0.972 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccn3c(O)nnc23)CC1 1827537900 BASJNLBJTLLDTM-INIZCTEOSA-N 425.445 0.756 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829476211 QDMLAJZOBYGJQC-JOCHJYFZSA-N 443.504 0.683 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1830057297 AGUGMEQJMSYNSN-KNQAVFIVSA-N 442.472 0.727 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830638408 OYWUBUVCSAJSLW-NRFANRHFSA-N 432.477 0.726 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(C#N)c1 1831218649 YNKOFAPTBCBBRT-DEOSSOPVSA-N 437.496 0.979 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1831219064 PSOAUZGSSFABMC-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223174 OUHVOSMOBJHWBZ-UUOWRZLLSA-N 439.512 0.675 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831405429 APYWXMJDBUQPFE-QFIPXVFZSA-N 433.505 0.438 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831426918 LNXWBEWQHXSMEP-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831432559 ASEPQHWXWKYMKO-OPAMFIHVSA-N 431.489 0.447 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831486758 GVBXTNLBQUJZGC-APWZRJJASA-N 440.591 0.980 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419301 WIKUFSRHKCDJRK-NRFANRHFSA-N 439.578 0.765 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832659823 GQUYGPCNGZZRDX-NRFANRHFSA-N 432.477 0.201 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1833107377 WOUHFTWMYCKNHT-UHFFFAOYSA-N 436.516 0.548 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833125065 HSCSHMCAKCFZCA-QFIPXVFZSA-N 439.447 0.800 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1834130809 HWJFYAQEQBPFRI-IERDGZPVSA-N 434.493 0.961 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(C)n1 1834161493 IWNGUTFBWQABJR-UKKLRFBMSA-N 432.525 0.270 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834654070 UDXKOIHAROACBE-UHFFFAOYSA-N 437.614 0.467 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834720922 GSRXXYCHMGSLEV-LAUBAEHRSA-N 427.549 0.691 30 20 ICED O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CN1 1835097264 RTVCJWCWEIHXJL-XXBNENTESA-N 425.485 0.021 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)c(C(F)(F)F)n1 1835546787 NGFZEDMAYWAVML-QGZVFWFLSA-N 427.383 0.001 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835702443 DJMJKFXAWGHDLT-OFNKIYASSA-N 435.484 0.723 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1)C(F)(F)F 1837047065 GDADBUWWPCHAFW-UHFFFAOYSA-N 446.426 0.655 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837396396 CMBXDLNMCTVSKY-OXQOHEQNSA-N 440.928 0.566 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837396597 GPNBZMDEWLRLHR-XMSQKQJNSA-N 432.521 0.439 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837441980 KHEUSNSTIZFFSD-AJPHYDNBSA-N 443.548 0.942 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443811 KDPLQCXCVACKDX-GXFHPGDCSA-N 442.582 0.073 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837805419 JYASNBBIFFFCFX-XZEIMLRBSA-N 432.525 0.568 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc(F)cc4F)C3)C2)c1 1838733327 YVPPBGQMZJKIIG-HXUWFJFHSA-N 431.399 0.943 30 20 ICED CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838736235 RWMNPOFVNHBUGE-UGKGYDQZSA-N 431.537 0.979 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1838905493 IZZAUDQLHXHPED-OAQYLSRUSA-N 428.445 0.080 30 20 ICED CCCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839013375 MOHVZHWMALGNFM-QFIPXVFZSA-N 430.457 0.633 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839038469 KHFPWDUFMHTHLC-JTHBVZDNSA-N 445.491 0.873 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839582574 GPSBFHHDEMJHDS-FDDCHVKYSA-N 446.548 0.552 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840164211 BYTFHJDMCDGMKZ-TYILLQQXSA-N 431.555 0.674 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902222 ACTTYFMNIONSHC-CKJXQJPGSA-N 435.546 0.580 30 20 ICED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195416 NYYLNKYWYYDGRU-HZPDHXFCSA-N 449.504 0.598 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)cc(C(F)(F)F)c1 1848031753 KJJJNJXYCLRIBS-GJZGRUSLSA-N 449.389 0.944 30 20 ICED COc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 10453418 WHOUVWDIVPYYMO-UHFFFAOYSA-N 442.497 0.830 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10733810 OHKUBGCFOWTFAX-UHFFFAOYSA-N 434.474 0.520 30 20 ICED Cc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 27577072 ZZUOHOSKBLFYRT-UHFFFAOYSA-N 432.531 0.864 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)o1 31583113 ZSCSYRQZSAWIHV-CQSZACIVSA-N 446.533 0.844 30 20 ICED CN(CCS(=O)(=O)NCC1CCN(CC#N)CC1)S(=O)(=O)c1ccc(F)cc1 427805755 JDFAHGHAGVBSEF-UHFFFAOYSA-N 432.543 0.601 30 20 ICED C=CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 429341909 SVWJAIDGRUNQQE-HNNXBMFYSA-N 436.542 0.753 30 20 ICED CN(C)CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 434775459 NEQWYHNBXKLVAB-SFHVURJKSA-N 430.534 0.907 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 437053415 VXWHONFGVADHFF-UXPWSPDFSA-N 443.500 0.737 30 20 ICED COC[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)NS(=O)(=O)c1ccc(C#N)cc1 445741275 JOESITWURGNGAQ-MRXNPFEDSA-N 434.499 0.702 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC#N)CC1 465147229 MXNNSSDGBLZNFI-MRXNPFEDSA-N 426.926 0.541 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(C)c2)c(=O)n1C 470798349 SQRZFVGMWXWUJB-UHFFFAOYSA-N 436.331 0.783 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1C#N 472266627 VAAXMWZKABUXTC-ZWKOTPCHSA-N 426.521 0.690 30 20 ICED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480278265 YYEZFPWKPCUMJH-NVXWUHKLSA-N 441.531 0.536 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 488852810 DKXOPXNBGBFJRZ-UHFFFAOYSA-N 442.501 0.658 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 489216157 KFOYOQNHLLZMIZ-SFHVURJKSA-N 446.533 0.839 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 499343204 AUCJXVYELJMFOG-GFCCVEGCSA-N 429.296 0.799 30 20 ICED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502268331 GGJJKNDOCSSPNX-WMLDXEAASA-N 443.460 0.765 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nn1CCC#N 504027138 URHHNKRWFJKMSI-WMZOPIPTSA-N 443.552 0.883 30 20 ICED CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 506929606 DCHBLAIVDTXSBA-UHFFFAOYSA-N 448.480 0.609 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508509009 YRZMTCWJFXAJCQ-ZWKOTPCHSA-N 444.561 0.715 30 20 ICED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C1 508995486 HJOWYURBUVBLCK-KBPBESRZSA-N 435.506 0.048 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1O 509069447 LCIFGTNEKRCJDP-LLVKDONJSA-N 438.487 0.477 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 511896233 MTSGPJUBLBRPAN-UHFFFAOYSA-N 444.311 0.105 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)nc1 518207065 ZCEPUXSPTMUXLK-UHFFFAOYSA-N 443.467 0.846 30 20 ICED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1 520195004 PDZXRIZKOGMBBE-ZBFHGGJFSA-N 447.521 0.224 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 522131055 QVVJSMLTTRBYEU-UHFFFAOYSA-N 448.531 0.919 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532197174 ORLSYLMOFBZMTJ-CQSZACIVSA-N 444.473 0.877 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 538079042 XYWOWEOOKBYUTH-UHFFFAOYSA-N 437.504 0.913 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CC1 538482480 WTCAVVJHRFYEJN-UHFFFAOYSA-N 428.468 0.705 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 556034648 VXWUHDMAMCVVNP-QAPCUYQASA-N 436.534 0.634 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n(C)n1 568020113 CBPCSLQPDHXZCM-INIZCTEOSA-N 433.476 0.905 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 576428744 XGSBNNNXLYOKNN-OXJNMPFZSA-N 444.532 0.892 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)cc2)ccn1 576867165 DPSRWVILKZRZKE-OAHLLOKOSA-N 429.458 0.964 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603795541 YVAORFJZOHHZKL-UHFFFAOYSA-N 441.509 0.468 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604269862 GSLZSGULQABYOD-UHFFFAOYSA-N 442.541 0.282 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 608911613 LRHULXJCYLHROX-UHFFFAOYSA-N 448.451 0.122 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 611174637 NIWDRGUDSBHYGU-FQEVSTJZSA-N 427.505 0.028 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613103427 FGFNHSHYTFJMKA-MLGOLLRUSA-N 433.432 0.121 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1 728608713 QWEQDHGJUPKNMB-UHFFFAOYSA-N 445.501 0.291 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cn1 731723386 ZOSGUUOKAUYXDD-HXUWFJFHSA-N 435.436 0.731 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 733148590 DESSKPFBJHUOCE-HMMYKYKNSA-N 437.504 0.272 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734436423 XHYOXJWHBDFONU-REWPJTCUSA-N 440.544 0.888 30 20 ICED C[C@H](CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742680564 RGRHAAYJTMUJTP-SJORKVTESA-N 433.578 0.742 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1 742893148 PFJBZAQNVCXFNA-UHFFFAOYSA-N 449.554 0.957 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(CC#N)CC2)c1 744553660 QKBMDKFTSVDNCS-UHFFFAOYSA-N 445.339 0.655 30 20 ICED C=CC[C@H](CO)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 754247281 VHJNQCZADGPSTB-CYBMUJFWSA-N 435.524 0.027 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)nc1 755193017 QRZNQTKEIFAENZ-UHFFFAOYSA-N 428.474 0.561 30 20 ICED C#CCOCCC(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 756307260 HCASNQFJUCWOSA-UHFFFAOYSA-N 440.474 0.238 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 756836144 SXQVGDBVKFJSCQ-ZBFHGGJFSA-N 447.496 0.622 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(Cl)c2F)c1=O 758049575 HRUCNNWWPBLYRF-UHFFFAOYSA-N 433.892 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758082699 FVSHCPBBZKNPSO-UHFFFAOYSA-N 431.521 0.817 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 758083507 NFTDPTUCPGVJEZ-UHFFFAOYSA-N 441.557 0.377 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C#N)C1 758641500 BPULJZJZOMRIBQ-BXUZGUMPSA-N 430.508 0.371 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 767630428 ZXYMEBKEMVCVPA-CYBMUJFWSA-N 442.453 0.754 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)c1 769767340 TYVLXBHVAQIFMS-UHFFFAOYSA-N 445.501 0.913 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 771287962 OJCSFSGIOKLXTG-HNNXBMFYSA-N 439.501 0.387 30 20 ICED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1CCCO1 773054915 KSIVWENMUWVTLB-KBPBESRZSA-N 426.438 0.986 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784209318 WHZXSENXIKOVOJ-MRXNPFEDSA-N 427.486 0.428 30 20 ICED C[C@H](CC(=O)Nc1ccc(-n2nnnc2O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 793948147 ASLVUTCBIIJPBB-LLVKDONJSA-N 427.446 0.824 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H](C#N)C1 796491576 PZISECVRMOTYOF-MRXNPFEDSA-N 431.493 0.612 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)CC1 808293906 IGNHRKPXTJEZRY-UHFFFAOYSA-N 441.575 0.316 30 20 ICED Cn1cc(-n2cc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C#N)ccc2=O)cn1 816128254 BSDSCHROBCDPOA-UHFFFAOYSA-N 428.386 0.470 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)o1 914684662 NLVOBCMPXHBZNC-GASCZTMLSA-N 443.460 0.222 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314133487 JDFSTXDXYJXXQW-VGSWGCGISA-N 445.568 0.879 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1499330677 XUDBCRGQRMZLPP-KRWDZBQOSA-N 425.493 0.922 30 20 ICED CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)NC 1516619674 UFLWSLPQZWQIQZ-QGZVFWFLSA-N 434.522 0.813 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1518918995 TUAVPPPWIROVCJ-XLIONFOSSA-N 447.517 0.218 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541220143 XBBSDFVURVMKAB-ZIAGYGMSSA-N 440.526 0.434 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1541675857 ZSVQIBNNYRHJLQ-OALUTQOASA-N 444.584 0.440 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1760697110 WWPLOTMRDBFGID-KBPBESRZSA-N 431.584 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1779423045 BERNSFJRQFHXKX-RWNNDIBSSA-N 447.492 0.839 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1780605145 FMFVXQMCVCGKRK-PYJXJXBRSA-N 445.560 0.940 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1781169641 XOUSQLLYCMHPJF-JKSBSHDWSA-N 437.537 0.894 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c(C#N)c1 1781174831 VCEJUFPASXBJCI-JOCHJYFZSA-N 440.456 0.733 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1781268798 XRLDRLWCVFKSMG-HXUWFJFHSA-N 434.518 0.908 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1783046896 XJHLBTMLHSTPRE-USCONSEESA-N 435.521 0.458 30 20 ICED COc1cc(F)ccc1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783308617 KDOKKZDJPTXRKL-XMSQKQJNSA-N 432.448 0.979 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784110033 MCUJWRSULTXUSU-QHCPKHFHSA-N 436.468 0.246 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1784518691 BERBWNCHXBOBAI-QZHFEQFPSA-N 433.530 0.832 30 20 ICED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)cn1 1786239790 AOKVDUVVIWWLTR-BJHQMDSWSA-N 427.461 0.791 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)cc1 1786840389 FDVSTFBMROCYRN-UFYCRDLUSA-N 438.532 0.311 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n[nH]1 1788638908 SLNJTZAISHZUJJ-IHPCNDPISA-N 428.533 0.939 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)c1 1790224568 QQQRBPXUOQQASC-JDFRZJQESA-N 441.419 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)c(F)c1)C2 1792484723 YSIPKXOZQHRWMD-KQLJBOCNSA-N 432.452 0.291 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CCOC1 1795421793 HIJRWPRFTOPGNT-KJOVKWNASA-N 436.509 0.564 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CNc2ccccc2O1 1797674957 IJTOAWZIRYXQNM-XMJOBFJKSA-N 427.501 0.878 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2 1797808503 IRBBPLQUWOTYMF-IEJSNKPOSA-N 437.884 0.862 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798862886 FDMUFTLYZSUIFE-VTYHHJSWSA-N 445.516 0.831 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074688 UUDFBYHZDPGRSV-HGKCTWBKSA-N 430.530 0.285 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ncccn2)C3)c(C#N)c1 1799239076 WLNYSYMXPDKBLT-FEJSZKPUSA-N 435.484 0.732 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F 1802377952 XQBFZYUAVDXQHH-CRUNVWKSSA-N 434.415 0.832 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1812527990 AFAGMDMUIGKVJS-BEFAXECRSA-N 441.451 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813131266 FIERWYFOOASLTL-MBHQSBQHSA-N 439.516 0.472 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1814012491 QAWRFBWFLLQMTE-AWEZNQCLSA-N 448.441 0.832 30 20 ICED CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817316328 BDYMPRHAJAYKON-OAHLLOKOSA-N 432.529 0.955 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817359324 HTWAOPCDGKKDJR-UKRRQHHQSA-N 432.529 0.276 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](COC(C)=O)OC(C)=O)n[nH]1 1819429425 KXGOHOMPLWNGLB-XWIAVFTESA-N 448.476 0.935 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1829627141 AHKWJKNKKRTYKK-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3C)C2)C1 1829769171 MPAXXORGKAVRAP-XBKFQHLESA-N 442.516 0.627 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1829781768 FESDDTILZVYRCO-OAQYLSRUSA-N 434.493 0.950 30 20 ICED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1830526430 VESCYLCOVZKAKJ-KNQAVFIVSA-N 431.489 0.337 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831137239 VGPAYPIQWRTQSV-OAQYLSRUSA-N 439.509 0.007 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165793 RWSAEGBEFZHOEX-SJORKVTESA-N 437.537 0.722 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1831392246 CMBDYXWEFFZDST-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 1831403142 XVYYTQNMAISUJM-HXOBKFHXSA-N 448.491 0.872 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831426824 PJELOLAMHSMWOV-KKSFZXQISA-N 429.477 0.390 30 20 ICED Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1C 1831978121 OOASMZHYBDZHPM-MHRHTVJOSA-N 433.509 0.833 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1832456608 TUBOYQSCASEDEC-UYAOXDASSA-N 428.551 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833061682 PLFQCFXTCFIQFW-SFHVURJKSA-N 436.622 0.645 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1833146247 BCZYQSZVFJUNKC-UHFFFAOYSA-N 440.508 0.153 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1833476993 GHCPSMAOLWIJET-KSFYIVLOSA-N 439.553 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(C)nn3C)CC2)CC1 1834188399 UPXTWUPVTJEPAB-WAYWQWQTSA-N 442.564 0.772 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835096724 HJPQZLKNMPVHKS-HSZRJFAPSA-N 436.468 0.607 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1OC 1835345751 YOHBCVFHWDNRLP-NRFANRHFSA-N 430.461 0.473 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)COC4)CC2)CC1 1835378992 ADFUOMBJBPVTHK-UHFFFAOYSA-N 425.485 0.990 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665244 NNDMBVXLDUVYEH-HNNXBMFYSA-N 433.557 0.482 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1835670273 XULFRLOUWOWTRZ-WTGUMLROSA-N 430.593 0.937 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675469 RSLNODSISSARLK-OXQOHEQNSA-N 426.583 0.679 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)cc1 1835706778 REWRKHJALMDSJF-URXFXBBRSA-N 449.511 0.918 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000101 XBCPIONHNWXVRC-LJQANCHMSA-N 425.432 0.516 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034574 VEXWPKRKBRQCPY-FDCKDHBTSA-N 447.511 0.691 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234013 IQPFVCZGWZWTOX-BTYIYWSLSA-N 437.468 0.890 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836995120 YCCBEYGPOGZPMY-RNODOKPDSA-N 435.502 0.406 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440541 MQZVMFSCYIGBHF-WWOVWOHCSA-N 435.569 0.256 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3ccccn3)CCO2)C1 1837743741 SCYFCANAHRMMHT-BSRJHKFKSA-N 446.548 0.912 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418190 VBIBBCASWACWBB-NRFANRHFSA-N 444.513 0.630 30 20 ICED Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)s1 1838731900 CLVYBJVKYJEPLL-FQEVSTJZSA-N 444.517 0.749 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1839224523 LKBMXVQJECHDDG-LZNRXBQRSA-N 447.536 0.729 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839530957 UFEKLPNSKUBTJL-QFIPXVFZSA-N 432.521 0.882 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839627869 BVBOUSYLNCUBDU-XLIONFOSSA-N 433.534 0.982 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759882 PUFFCXDPSAAQIN-IBGZPJMESA-N 426.535 0.705 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1840418536 CNNBXMDTBNFIAH-KSXMTOLSSA-N 430.465 0.008 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\C(=O)NCC=C 1847264704 DUMYLTMTUSKOKA-HQGDJHMTSA-N 444.532 0.963 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 431511761 YYNRZMQWELJGIA-UHFFFAOYSA-N 428.898 0.661 30 20 ICED Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnn1-c1ccn(C)n1 432062657 QRANKDQQXVAZOL-UHFFFAOYSA-N 440.489 0.328 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c1 443418125 RSKYMABXAATZTM-UHFFFAOYSA-N 432.487 0.578 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3nnc(C)n3CC(N)=O)CC2)cc1 444404041 KLIZYCNOPBKUHZ-QGZVFWFLSA-N 443.533 0.582 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCO)CCN2CCOCC2)cc1 444634433 AURJZBJBATZHFR-UHFFFAOYSA-N 426.539 0.652 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1=O 448543920 QXUMTJDMADIDNY-UHFFFAOYSA-N 433.222 0.945 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)nc3)CC2)c1C#N 472872386 RYYWYPBCYBMQOJ-UHFFFAOYSA-N 438.492 0.119 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCS(=O)(=O)N2CCSCC2)c1 473571800 PQXMQHPKKIHZMH-QGZVFWFLSA-N 436.559 0.544 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475285705 MQOZWDSZUUJTMX-UHFFFAOYSA-N 425.507 0.791 30 20 ICED CC(C)N(CCCNC(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O 475759219 QDEUQJOLQCQXGY-UHFFFAOYSA-N 430.552 0.355 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 478951729 CQACPXJRJMGJNC-CYBMUJFWSA-N 440.485 0.354 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CCN(C)CC1 481968584 DUMMFHITZBQUFO-UHFFFAOYSA-N 439.566 0.915 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2=O)n1 491188793 RQRBSTSEIQXXPE-INIZCTEOSA-N 447.459 0.182 30 20 ICED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(Br)c1 496342122 PQPJTPLWLABODU-ZDUSSCGKSA-N 440.279 0.535 30 20 ICED N#CCCN(C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1cccc(Cl)c1 498999580 NAJZSPWVPZGTOR-ZWKOTPCHSA-N 440.953 0.362 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 509264890 SAJVQFLNKANHFE-UHFFFAOYSA-N 432.462 0.965 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 515740467 TWKNJNWVIMDDPR-UHFFFAOYSA-N 447.517 0.844 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2CCN(c3ncccn3)CC2)c1 515751622 UXGASGLTVAHHGU-UHFFFAOYSA-N 430.534 0.493 30 20 ICED CC(C)N1CCO[C@@H](CN2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)C1 536947237 PCYDYAJUIODABN-SFHVURJKSA-N 431.541 0.528 30 20 ICED CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549084075 RJMCFCMFOWDKCN-INIZCTEOSA-N 432.506 0.768 30 20 ICED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 555895300 ZAZMYWYYCZKKCZ-FXAWDEMLSA-N 432.484 0.942 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccc(OC)cc1 556784793 ZWONWCFRJCTRDF-UHFFFAOYSA-N 449.536 0.814 30 20 ICED CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 567491859 KFKROKGPKFPLRF-UHFFFAOYSA-N 437.504 0.914 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N 569124408 CUPUBVJYCXFDAQ-GJZGRUSLSA-N 436.604 0.254 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 571018926 JCQFZWKXDJCTJL-KRWDZBQOSA-N 442.497 0.633 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576392409 JTVLGEZOVFGXIX-UULLZXFKSA-N 435.531 0.385 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 589410601 ULVPWJFBWCHAID-UHFFFAOYSA-N 436.472 0.916 30 20 ICED CCN1CCN(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)C1=O 603660241 RNXSIPNDXMCFOO-UHFFFAOYSA-N 441.467 0.205 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1C 608910975 ADDCWFFNHRNBKI-UHFFFAOYSA-N 440.525 0.274 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 610798077 UAUONKJBXSVBHL-MRXNPFEDSA-N 433.534 0.975 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@](F)(C#N)C2)c1OC 615608556 RYLCDVYRQWOSKR-SFHVURJKSA-N 427.454 0.802 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc(OC)c1OC 729674761 LPHOKTDUKLRXJC-UHFFFAOYSA-N 449.510 0.007 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 733202322 QAGCPWSZDJLITJ-QARARTDJSA-N 426.564 0.883 30 20 ICED S=C(NCCCN1CCOCC1)NN=Cc1c(N2CCOCC2)nc2ccccn12 741805430 QGENZCUJPBHLJH-UHFFFAOYSA-N 431.566 0.691 30 20 ICED CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)o1 746511847 MLCKWVWCTUQPLE-UHFFFAOYSA-N 425.488 0.633 30 20 ICED C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 750552270 KYDNTZRJCUKPGV-JORFTBQQSA-N 436.530 0.887 30 20 ICED CN1C(=O)CC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 752013212 AXSOVSOAEKROFZ-AWEZNQCLSA-N 427.417 0.619 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)c[nH]1 753358388 MIQIRLLQNFTHAA-UHFFFAOYSA-N 444.538 0.438 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755626385 IECQNLCHVXEHTE-RPLLJCPNSA-N 442.497 0.039 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 766267794 CNFBKPZAZOSLFR-AWEZNQCLSA-N 442.563 0.763 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cncs3)c2=O)cn1 767884874 UVUOXWPNSKXRSP-UHFFFAOYSA-N 426.527 0.697 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782857280 LGBCQNZLTTXMST-LLVKDONJSA-N 431.430 0.323 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O 788390008 YUGUOFXPDIAAQZ-FXAWDEMLSA-N 431.518 0.783 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 801286085 LSNRJLMFCTZOGY-UHFFFAOYSA-N 443.475 0.480 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)n1 807295226 MKBQVOFVKNONBP-SFHVURJKSA-N 426.521 0.942 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)[C@@H]2C1 815704977 VAKPHDGIAWLGHG-SOZBXCIHSA-N 433.534 0.600 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)o1 915374996 HTKJFAIZRDYKOV-MRXNPFEDSA-N 440.460 0.846 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1295165720 VPBWLMIYQWOIJU-MRXNPFEDSA-N 437.547 0.875 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1=O 1321428206 WOMHHZIAQLIHRV-LJQANCHMSA-N 437.500 0.949 30 20 ICED CN(C)CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1332402459 ZOHQPWUBZXRJFO-HKUYNNGSSA-N 432.546 0.879 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CCOC)CC1 1340574712 RLBYXZUCVQXWNA-UHFFFAOYSA-N 445.545 0.961 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCC=CO1 1360707362 CEAVHTZKJMHTOC-XIRDDKMYSA-N 435.554 0.758 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC 1503248234 IULRNLGKKMITDG-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1616264066 UKEFZDSDJOMFSM-UWJYYQICSA-N 428.493 0.889 30 20 ICED CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1705954366 LYXQPACQOOPVHU-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1711295035 WPVQBTGUMZRFPU-UHFFFAOYSA-N 425.493 0.827 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1711836595 QRNRXJOOHFRSQD-IUODEOHRSA-N 438.485 0.813 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCSC2)CCO1 1712886471 UIROKNMGLRTCPN-SCLBCKFNSA-N 434.547 0.866 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1751238184 UAFJTCXYLZJGFC-HZPDHXFCSA-N 425.559 0.493 30 20 ICED CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1766451264 NINXGEHFCPKROG-PXNSSMCTSA-N 431.518 0.982 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1770344717 VKXSNEUFNHLBJO-NVXWUHKLSA-N 443.533 0.410 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(=O)N2CCOCC2)cc1 1770732961 OHXJXIJDTZNWLY-QGZVFWFLSA-N 437.504 0.767 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670601 PHGMYBNNAGUHQA-QHCPKHFHSA-N 426.517 0.971 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778845610 ANSVRCATMLNZLF-YFVAEKQCSA-N 426.627 0.702 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1779036089 WZAPCQFNZPQHPQ-OAQYLSRUSA-N 429.546 0.415 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107120 YGLVAAHDUHBOBW-GAMXZPBPSA-N 432.477 0.358 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1779260462 JVXNXCKIURUHGR-ZRTRKKQLSA-N 428.489 0.098 30 20 ICED CC#CC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)c1ccccc1 1779478106 OJCPNQYJVLVMDS-VMIIQTFKSA-N 426.561 0.984 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1781265593 RTOWBOBYXMCIJF-NRFANRHFSA-N 430.461 0.133 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1783133731 CCXVWVMEKXMXKA-LYHRCORUSA-N 440.500 0.587 30 20 ICED CCOc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1783702336 FRKUVPBPFKLBBD-QFIPXVFZSA-N 430.457 0.554 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 1784477679 JJTDHRHILFDQID-RNEDXHKXSA-N 428.485 0.844 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)Nc4ccccc4)CC3)[C@H]2C1 1784560251 IVXOPHZUJCRGQJ-SZMVWBNQSA-N 439.468 0.473 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784802627 VVNSYIMEWVABDW-BZSNNMDCSA-N 433.505 0.264 30 20 ICED O=C(CCc1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785221056 RFTFQCTXGQZVCW-IDEMRGQUSA-N 433.509 0.851 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(-c4cccc(F)c4)n3)[C@H]2C1 1785546642 XFNQPQFLDIDKQK-JQFCIGGWSA-N 441.419 0.088 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nn1C 1786859556 NWGCYNNKLOALTC-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccc(Cl)cc4nn3)[C@H]2C1 1787359878 OOOLVCAPNNJKMB-YEWWUXTCSA-N 442.859 0.965 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1787509979 XFPJCVMYHSWLKL-HSEXJWHOSA-N 445.541 0.993 30 20 ICED Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652739 LPMZVHKZYCOUED-YHAVACHASA-N 433.509 0.851 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nn[nH]c4C(F)(F)F)C[C@@H]32)c1 1789345705 UVFSTOPKYXFEAK-GVXVVHGQSA-N 437.382 0.930 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)c1 1790588836 RAJCSIFFHHVNBN-DZKIICNBSA-N 426.433 0.054 30 20 ICED CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790606879 RFSLVKHFTJJWKY-QZWWFDLISA-N 438.525 0.810 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652147 CKVLIPMKIXYWCE-DZKIICNBSA-N 431.449 0.286 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1790788693 CKHZMOSHPIAUKN-ULQDDVLXSA-N 435.521 0.361 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791439825 XIUVSQFLXHBVKB-ZOBUZTSGSA-N 426.477 0.205 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)cc1 1792555893 RBKPLPMTHROVPE-CWPLJXCYSA-N 435.440 0.492 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)c(O)n1 1793416345 SYKIYSJSPGUVRH-RMHZUWNSSA-N 430.461 0.217 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)c(=O)[nH]c1C 1794311439 KSVVHJZQPVHIIV-REPLKXPHSA-N 435.484 0.970 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400214 ZFJARVIRFVTRRA-DMUMMCEESA-N 430.505 0.050 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796887889 GTCPJASDDJXEOE-BJWYYQGGSA-N 441.550 0.560 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1797729841 QMOOBHFOTFSVBF-RCJHGTSTSA-N 448.596 0.225 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCSC)C3)c(C#N)c1 1799240732 HQRCODAGKWIBTI-SHJAMOMRSA-N 447.557 0.813 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801529851 JRXQMICFSBZSER-RMFSNUHRSA-N 433.530 0.515 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1803552682 IJYKZWDIGNNYSM-CEQIKUNHSA-N 439.472 0.700 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803559797 DNFFTRFFCBJSLA-FDDCHVKYSA-N 440.500 0.995 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)[C@@H]2c2cccnc2)O1 1803646950 SZPXNEUYHMJULE-GGZBXHCWSA-N 425.445 0.908 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)O1 1803647359 ZYFNHJUQOOZWKT-FOKFKQDVSA-N 445.476 0.725 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1806621897 ZMZJLPQLSWHICV-UGKGYDQZSA-N 448.479 0.682 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807041713 DFPAUOFPWKNLQL-WFXMLNOXSA-N 431.537 0.663 30 20 ICED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)C1 1807944019 LQSVJRBXJNQNCG-KBXCAEBGSA-N 434.460 0.493 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809597155 DDTSGFNGSLARHT-UZKOGDIHSA-N 427.549 0.373 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1813576940 YWGSEUNLAAGNFQ-GBGMXLPASA-N 449.577 0.994 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)CN)[C@@H]1c1cccnc1 1814208198 PFBDMOGFGQYGAE-ZIFCJYIRSA-N 429.521 0.963 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)NC(=O)NCC)sc2C1 1819681556 OESHAUQREZXPRD-WACGGTQYSA-N 448.549 0.621 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC2 1825028909 FZJKJLJGAZDMJH-JQWIXIFHSA-N 435.506 0.457 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2)n1cnnn1 1826972093 KTYLSYDVHOIXGY-VXGBXAGGSA-N 431.526 0.585 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827586365 LNBLCYDBQJIMHP-FHWLQOOXSA-N 449.596 0.809 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828808320 QWELUVLJIFYGAG-JOCHJYFZSA-N 441.488 0.618 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1829769345 REAABWOVWAARBL-DYRFGFBLSA-N 449.454 0.893 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831483080 JXWIFYMTRCEBSJ-IEBWSBKVSA-N 431.624 0.446 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831881504 SNDYVILWYRCOKU-QFIPXVFZSA-N 433.505 0.438 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnco2)CCO3)c(C#N)c1 1831935681 PUXAMNTYPQXTBV-JOCHJYFZSA-N 440.456 0.868 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831990571 ODQPBJISVIQTRR-HPARJBSBSA-N 449.504 0.887 30 20 ICED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)C#N)CC3)CC2)c(=O)nc1O 1833149745 BVNBGAOTWWYHPR-UHFFFAOYSA-N 444.536 0.379 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1833477256 POZVSEGGLMLVRX-CQSZACIVSA-N 448.486 0.828 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497571 NRLAJFUPHPMQJA-VBKZILBWSA-N 449.464 0.046 30 20 ICED Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(C)s1 1833870433 KHLCRPHXTNTKSX-UHFFFAOYSA-N 432.546 0.962 30 20 ICED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834128934 SQTDNPBYUBOLHN-YVABFXQFSA-N 442.472 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OC)cn3)CC2)CC1 1834315428 VLNFXLMKDVMXIJ-INIZCTEOSA-N 429.521 0.709 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c(F)c(OC)c1F 1834765819 WCJZXODPJKZTEE-FQEVSTJZSA-N 439.415 0.966 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)CC1 1835567381 DGBRDKLBAMKJOP-KRWDZBQOSA-N 443.548 0.889 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836592952 DXKCXLSGJRTFIT-JOCHJYFZSA-N 426.473 0.403 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1836843823 VRGDSLHUICFISB-HNNXBMFYSA-N 440.566 0.617 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837241689 PPABAIQAGMMLSL-DPVIJFBZSA-N 439.534 0.314 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837284536 WWPVPTPEUIAALG-AXJZPPOTSA-N 437.540 0.835 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1837403006 NFECOKRMQISVRE-IEGUWTFLSA-N 447.532 0.878 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426216 RTHMCYFJFLYEGR-PGRDOPGGSA-N 443.504 0.372 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)c21 1838437587 KCOIQRSWCPNEAX-QFIPXVFZSA-N 439.472 0.653 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)c1 1838584185 TUZRRUCRONRWHM-HSZRJFAPSA-N 443.500 0.942 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)c1 1838739235 OQNASJIWOYPOHU-NRFANRHFSA-N 442.428 0.387 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccc1O 1838739540 XQLNXIDLBCXIDG-QFIPXVFZSA-N 440.456 0.984 30 20 ICED Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)s1 1838742008 MCQKCDMODNXYHY-HXUWFJFHSA-N 429.502 0.964 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827608 YHMCDXHYSIHZDM-IFXJQAMLSA-N 437.453 0.794 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838906718 BGRRUHHOIHIXME-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)ccc1F 1839189460 LTZUCCDRUGBINV-VGOFRKELSA-N 431.464 0.733 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c(F)cc1F)CCO2 1839263709 AZUQKQOVFOOPQF-IBGZPJMESA-N 442.802 0.776 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OCc3ccccc3)C2)C1 1839809663 FUYNLEPAVRIIQW-FDDCHVKYSA-N 443.500 0.639 30 20 ICED Cc1nc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2s1 1840042597 CXQHJEWYQOZZTF-NRFANRHFSA-N 443.481 0.763 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cc1ccco1)CCO2 1840467128 LRGXUASIVZGXCT-NBBDWSPISA-N 445.516 0.773 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842949841 UJNHUXBHDSQBFD-CABCVRRESA-N 438.525 0.722 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234001 XXXRWVQOYGPHOK-UHFFFAOYSA-N 437.847 0.335 30 20 ICED Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)cn2[nH]cnc(=O)c12 1844259339 FVGOGTZAEPKRJA-AUEPDCJTSA-N 425.493 0.620 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1846827073 VTKCJUTVLITOPG-KRWDZBQOSA-N 444.557 0.861 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 12396334 PMTRUZBDAYXMCU-UHFFFAOYSA-N 434.562 0.921 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437039725 NPQJVBBNXHOTPU-MAUKXSAKSA-N 437.518 0.743 30 20 ICED CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 439983552 ZZFIHEGMVDDNCZ-SFHVURJKSA-N 431.456 0.893 30 20 ICED COc1c(F)cc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(N)(=O)=O 465271839 ZWILXRUFJBJLED-GFCCVEGCSA-N 448.480 0.423 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccn(CC(F)(F)F)c3=O)CC2)nc1 465327481 SRMOOIJLXVWJDJ-UHFFFAOYSA-N 434.378 0.965 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCCOc1cccc(C#N)c1)C2 467070665 WPOCGACSYCRVSU-UHFFFAOYSA-N 426.477 0.596 30 20 ICED CN(C)CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 467643981 PUUPOICKUIUEHK-KRWDZBQOSA-N 441.575 0.955 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 476075112 YVWMJAHYUHRUQJ-UHFFFAOYSA-N 425.493 0.867 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 505701301 WJQCUGSEODSUBO-CVEARBPZSA-N 442.541 0.630 30 20 ICED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NCC(=O)NCC#N)c1C 508941328 IYHOJFFCMLLBOB-UHFFFAOYSA-N 433.266 0.946 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 510503932 WLOPBDOCSWKEOP-UHFFFAOYSA-N 425.421 0.144 30 20 ICED COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 513293605 ILXYVFJNRMALPF-ZDUSSCGKSA-N 438.444 0.819 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 517409743 DEBQEBAAEDRJAX-UHFFFAOYSA-N 426.521 0.466 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 520873111 IOLHFEJGHNYUMQ-LJQANCHMSA-N 447.499 0.351 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c2ccccc2O1 523984223 IMSPSHJVOQOSHL-FQEVSTJZSA-N 433.468 0.747 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCC)n2)c1=O 532165542 WRHNHOXDCIIVKH-UHFFFAOYSA-N 428.514 0.522 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 552456381 UWUYKELUNNKUPW-HXUWFJFHSA-N 428.533 0.978 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2)nc1 561101255 NXEVYPMYWFRUPS-QGZVFWFLSA-N 428.470 0.942 30 20 ICED C[C@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 561500092 BDPBSIONUJWILE-MRXNPFEDSA-N 436.534 0.776 30 20 ICED Cc1nc(C)n(C[C@H]2CN(CC#CCN3CCO[C@@H](Cn4nc(C)nc4C)C3)CCO2)n1 569011589 HTAVMFWXCLXGNP-FGZHOGPDSA-N 442.568 0.208 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)C)CC2)c1C#N 583275857 ANRNERUXPKRQAG-HNNXBMFYSA-N 449.585 0.785 30 20 ICED Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 583534821 GTDQCAPNGZDLPW-AWEZNQCLSA-N 437.503 0.340 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1=O 584014329 KDLBWDAJOUHORL-UHFFFAOYSA-N 435.458 0.555 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(CCC#N)CCOC)cc1S(=O)(=O)N(C)C 615254400 ICVIHJNMNVVIEY-UHFFFAOYSA-N 426.495 0.663 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 615307834 MTUSREWLTIUGJR-MRXNPFEDSA-N 428.532 0.523 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 619809872 KVAYLMVMZZINPF-SFHVURJKSA-N 448.545 0.980 30 20 ICED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 619859933 MTZBFEDOBHZQEW-QGZVFWFLSA-N 445.549 0.782 30 20 ICED CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401325 MLRMSEVTZXQPNK-NHYWBVRUSA-N 431.518 0.910 30 20 ICED C#CCN1CCC[C@H]1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 730285360 ZDRKJGLFAQQYQS-QHCPKHFHSA-N 426.561 0.986 30 20 ICED CCNS(=O)(=O)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731642812 JAPNBVHPFNRIOM-AWEZNQCLSA-N 430.552 0.195 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 732154121 OPJYTNYDGHWQQY-NXHAUGRDSA-N 426.429 0.663 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)NCCCc3ccccc3)CC2)o1 732338370 XXSYUETXBFRSCZ-UHFFFAOYSA-N 439.472 0.796 30 20 ICED COC(=O)CCNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732417528 VXVRNAMJZGPXSH-ZPHPHTNESA-N 429.433 0.627 30 20 ICED N#C[C@@H](C(=O)CN1C(=O)COc2ccc(Cl)cc21)C(=O)N1CCS(=O)(=O)CC1 732908587 OYOWTJRANOTUFE-LBPRGKRZSA-N 425.850 0.031 30 20 ICED C[C@H]1CN(C(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 733830374 IPVXPQKTJZEQBM-JKIFEVAISA-N 428.445 0.942 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2COC(C)(C)OC2)cc1 755512585 NXIYXRXPKIXFGP-JWGURIENSA-N 438.506 0.706 30 20 ICED Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1-n1cnnn1 755538892 WNGGEAUWMQTYLC-UKRRQHHQSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 758067206 HFCQLQSYCAQXHJ-CQSZACIVSA-N 437.521 0.904 30 20 ICED COC(=O)c1cn(C2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)nn1 758964713 OARHTWGHJWPYKT-UHFFFAOYSA-N 437.460 0.995 30 20 ICED CCOC(=O)c1nn(C)cc1[C@H]1NC(=S)NC(C(=O)OC)=C1C(=O)c1ccncc1 769855066 OFWDILBWXCXCSA-CYBMUJFWSA-N 429.458 0.821 30 20 ICED CSc1cc(Br)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889823 KVUUORDQVHZMOT-UHFFFAOYSA-N 447.336 0.881 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCCC(=O)OC)c2=O)cn1 772282564 SWKILGDQLDZOFJ-UHFFFAOYSA-N 429.502 0.189 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 772330862 PEAPQRJFIGHYNA-INIZCTEOSA-N 427.530 0.804 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H]1CCCO1 775794237 HEAFJLKSYYAERR-MSOLQXFVSA-N 449.529 0.061 30 20 ICED COCc1noc(CN2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)n1 780484530 VBNUOJZWRCDMDE-UHFFFAOYSA-N 439.476 0.627 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(=O)N(C)C 782695353 JOFOJDSOXGPPCC-UHFFFAOYSA-N 447.520 0.351 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 783452666 HDNSVMLZBOROFE-UHFFFAOYSA-N 438.488 0.232 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 791188957 PQCFBCRHDSLRNG-UHFFFAOYSA-N 448.487 0.606 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1 813980044 OIBZQWUMTWIKGT-UHFFFAOYSA-N 440.528 0.847 30 20 ICED CCn1nc(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 815298023 XZDIZHHUWMPXKQ-UHFFFAOYSA-N 446.489 0.168 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n(CCO)n1 821571327 JXJOEDSAVCIALR-KQWNVCNZSA-N 448.505 0.574 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 901211480 DJARCOONJPVBCW-SZNDQCEHSA-N 430.461 0.873 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)cc1 918261684 RPUYNUPISOMMLE-HDHZYAPQSA-N 434.474 0.881 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 1180627040 LXDIAJOOIHYBOV-GFCCVEGCSA-N 438.307 0.927 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1303443653 WVGYGZVSLRILTH-UHFFFAOYSA-N 434.522 0.734 30 20 ICED CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316362600 LMMYTUKYPODBII-UHFFFAOYSA-N 430.538 0.688 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCOC1 1340952256 QANKZDQWCJRKQA-OAHLLOKOSA-N 441.557 0.703 30 20 ICED CN(C)CCN1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1517016180 WYUDEIOVKNDTHC-LJQANCHMSA-N 427.557 0.681 30 20 ICED COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619881525 XFJCFTXCKWQSIN-LJQANCHMSA-N 440.552 0.953 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1636784295 JKOVEKGNUCSTTH-MRXNPFEDSA-N 447.561 0.557 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1655140275 LYKOBKVLYNPHTB-UHFFFAOYSA-N 437.341 0.528 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS2)C1 1698313128 SYILKNUCJNLLIA-KEYYUXOJSA-N 444.558 0.949 30 20 ICED CCc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1709017262 IZDVRRAFLZXSDF-BMIGLBTASA-N 428.519 0.792 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1711236916 JFZAJTXYOCWTQE-UHFFFAOYSA-N 449.533 0.751 30 20 ICED CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1731044696 YXJOAVOAUWRCND-IOASZLSFSA-N 432.547 0.804 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1741133576 SAKFIMWRZAEXEL-HOTGVXAUSA-N 440.570 0.902 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC(C)(C)C1 1751204433 OZQGJYTYLCWQTI-GJZGRUSLSA-N 427.575 0.737 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1778822809 HTVLFYFTEHFKBV-JRPXNJEYSA-N 433.530 0.926 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1778977872 ANZWWHNOBHXZTI-XMSQKQJNSA-N 434.581 0.169 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]13C[C@@H](CO1)N(C(=O)OC(C)(C)C)C3)C2 1781692186 GNDIYVWLDAEZLD-QOKUDNMUSA-N 447.532 0.912 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccs1)C2 1782011247 RGNBIJJPAAWVAD-FOIQADDNSA-N 433.486 0.080 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cc4c3CCC4)C[C@@H]21 1783531823 ZBZBRSPIJPNVLU-JWKLDCHBSA-N 426.517 0.955 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CN1 1783628720 VZDCBMRZABSFSY-XWSJACJDSA-N 431.533 0.191 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CCn5cncn5)C4)C3)c2c1 1784342244 JVYDLZURRJNCNJ-NRFANRHFSA-N 434.460 0.560 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)c3ccccc3)C[C@@H]21 1784478099 SQXKVRBLAUZHSR-HZEGPAAWSA-N 441.528 0.777 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784489841 LUOACCHKYJDTJR-SZMVWBNQSA-N 435.481 0.754 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539070 GRXQPBNJQQXHTD-IBGZPJMESA-N 441.575 0.659 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)c(C)nn3C)[C@H]2C1 1785778999 XSVUCQBFUVQAFC-JYJNAYRXSA-N 436.484 0.970 30 20 ICED Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)c1 1787116255 OKYLJDQZFJKJGC-UFYCRDLUSA-N 428.533 0.870 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3C(F)(F)F)[C@H]2C1 1787662199 CLMTZYHSDXIHNI-WHOFXGATSA-N 425.363 0.782 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632183 JYGWBRONFCLWDP-XWSJACJDSA-N 448.564 0.372 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)c1 1788657511 XPAXEGXPNBQEMU-QUZFRVLNSA-N 442.516 0.111 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077177 NYTOYMGOWWZCQT-XIRDDKMYSA-N 427.457 0.084 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424553 FSZNXGKWDPLFTK-KJLVNVKXSA-N 426.517 0.947 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c(C#N)c1 1792584670 XOLQDPZDLAKLOY-FCQWJQKHSA-N 440.500 0.225 30 20 ICED 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CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807608952 UGZQRKYZHAPALG-WMZOPIPTSA-N 425.497 0.056 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1814012781 UTKKSJHHHWEEOX-HIFRSBDPSA-N 437.481 0.705 30 20 ICED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815669963 YNHHQVZJIIAWFD-OAHLLOKOSA-N 436.538 0.682 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)CC1 1827678714 PEJQLLNGVDVIBQ-QGZVFWFLSA-N 439.534 0.120 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907412 KIOGOMRSFCRVLW-SIKLNZKXSA-N 447.557 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831438421 QTJIKCCCHAGWCR-SIKLNZKXSA-N 434.537 0.938 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831438768 WFDGTMFMHJKXHZ-KSFYIVLOSA-N 436.480 0.979 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831492674 MSJIQUJQEWMQLE-XCKVFWMBSA-N 426.583 0.869 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1C(=O)O 1833606655 RZNOCLHYKXPJJR-NRFANRHFSA-N 445.476 0.536 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356987 FOXADFPGNJGVMW-HLQTZPMBSA-N 433.484 0.762 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1834445945 LAZVDWFYERSDRW-ITRQMNGQSA-N 435.481 0.019 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835653847 ZZIXSWIGTQQMQM-HXUWFJFHSA-N 431.518 0.645 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1835681367 UDMJFCLQPDXDDZ-JOCHJYFZSA-N 444.536 0.147 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835768046 JELPGSWFXPBHKX-GOMWODOQSA-N 449.552 0.223 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108827 BHWFSAFYIFVQGA-UZLBHIALSA-N 434.518 0.063 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158017 AJIFNOGPONYMQL-GWYVQQBTSA-N 446.504 0.610 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1836859105 OPUOEQRHXZXQBG-OAHLLOKOSA-N 444.488 0.825 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837528326 GUJNIHZCCOTOFU-XKQYZGMESA-N 435.481 0.317 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561411 JPKHLCPAXCZBMO-HPARJBSBSA-N 442.472 0.872 30 20 ICED O=C1CCCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565646 XQVAQZYMAVZBMC-HPARJBSBSA-N 446.504 0.167 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1837728577 GHRJGJWRLCIVRX-NRFANRHFSA-N 440.544 0.630 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649804 LNXDTLVGDYJABK-QHCPKHFHSA-N 443.500 0.556 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)n1 1838738014 LFNMDNNUOWVEMR-NRFANRHFSA-N 425.445 0.679 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838791481 BJWCHIAETAUSQC-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC)c1)CCO2 1838926410 SMVHNCKNAYCCPJ-XBKFQHLESA-N 443.500 0.624 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047612 XWXCABRKPZXIHN-JTSKRJEESA-N 443.504 0.319 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1839419601 KPPWEYVOUWBCHO-JOCHJYFZSA-N 439.447 0.800 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839590719 ONBXOYABUVJLFF-OPAMFIHVSA-N 444.463 0.582 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839811496 YULIPGIPEKVVFD-VGSWGCGISA-N 435.521 0.936 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1)C(F)(F)F 1839895125 KHZKZZNVTVKDAD-SFHVURJKSA-N 428.411 0.984 30 20 ICED CCSc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043411 WHNOXASCJMWPJJ-HXUWFJFHSA-N 433.486 0.352 30 20 ICED COc1cccc(Cl)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044842 AHWIFIMEZDRFDK-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105791 MGKYVWMEZXJRIN-VGOFRKELSA-N 437.537 0.028 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840165907 NLQXLHDATHFYDG-BTYIYWSLSA-N 436.530 0.790 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1CCCC3)CCO2 1840721928 ATODAJDVNAUETF-QHCPKHFHSA-N 426.469 0.723 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818469 DUMNQGPDLKAYFP-AMHTUMDSSA-N 445.516 0.800 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840819245 YOKPUBBEKVZPGR-NRFANRHFSA-N 425.445 0.430 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1840842028 IUXQKESXGILHIN-QFIPXVFZSA-N 425.489 0.830 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)cc(C(F)(F)F)c1 1841848464 KXEDCLWSKSQNJN-UHFFFAOYSA-N 449.389 0.946 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302129 CMLMNELWZVKCQB-XIRVLSMDSA-N 440.497 0.562 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1845438866 XFWRKWGUQBLTIG-QGZVFWFLSA-N 435.521 0.732 30 20 ICED CO[C@H](C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cs1 409513244 XHMXWYGQELPYAL-GDBMZVCRSA-N 429.568 0.827 30 20 ICED C=CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 410067192 MZYVDDXECUXNGC-DZGCQCFKSA-N 438.955 0.475 30 20 ICED C=CCOC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 481756055 LTJDJHMRVJBOSC-CQSZACIVSA-N 449.323 0.930 30 20 ICED COCCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 481854591 ROHBWFNSTOHZIU-GDBMZVCRSA-N 443.547 0.277 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 483513908 PBXNPNPVNLCGDS-UHFFFAOYSA-N 430.914 0.667 30 20 ICED COCCC(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486521116 VYGVGLKKUZXNOS-IBGZPJMESA-N 427.505 0.986 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498973062 GHGRJCPUGUYIQO-CSMYWGQOSA-N 426.926 0.314 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 504434292 MPUUSUWKOMDPJE-IBGZPJMESA-N 426.521 0.905 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)c(F)c1 506221107 RQVYWENXMJLFIE-UHFFFAOYSA-N 427.480 0.863 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 506717786 JJWCGBSEFUIVRF-HNNXBMFYSA-N 445.505 0.268 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)C(=O)C1 509001061 LSNHMQSEYUFHDI-UHFFFAOYSA-N 426.525 0.933 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)c(F)c1 512826527 JORWBKOUGDYOOG-UHFFFAOYSA-N 432.544 0.919 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc2c(c1)OCO2 530653409 HEMGUGCPGFTNDN-UHFFFAOYSA-N 436.474 0.810 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 536974637 PUTDKDPTYORBDI-HNNXBMFYSA-N 440.460 0.715 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCc1cccnc1 542011604 ZZANGUQEIBAIEI-UHFFFAOYSA-N 441.494 0.766 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)no2)C1=O 544948516 GIQUMDFZSKSVOT-UHFFFAOYSA-N 438.444 0.601 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 550742743 MGNSEKOVPRQWKE-KXBFYZLASA-N 442.516 0.767 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1=O 558005426 NHPDMGQQXAICIB-WOJBJXKFSA-N 428.533 0.291 30 20 ICED CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@@H](C#N)C1 558879818 KJBGZJKBQBWJGP-INIZCTEOSA-N 432.506 0.715 30 20 ICED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561262116 FBMBQDFRSWOPJW-FMLXRRIPSA-N 436.472 0.714 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 564485548 CQEOGZGBPNVXQK-VNTMZGSJSA-N 432.480 0.996 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 569371265 OESUFEWUTSYNFD-RBUKOAKNSA-N 430.553 0.592 30 20 ICED C[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)c2ccccc21)n1cnc(C#N)n1 575091711 TXZVWPWVSHMTJV-OKILXGFUSA-N 430.432 0.815 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2)nc1 577732009 HDNHISINQOJPPA-LJQANCHMSA-N 447.499 0.304 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 579279069 SVIYHPTVASUKAM-UYAOXDASSA-N 428.533 0.717 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)nc1 580803990 BWVZTRITJQQQRM-UHFFFAOYSA-N 427.428 0.693 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccccc2)CC1 603788013 QXXKXOAMDGKLRF-UHFFFAOYSA-N 445.548 0.961 30 20 ICED C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609296322 KUOOXBOYTSRAPX-QGZVFWFLSA-N 434.566 0.210 30 20 ICED N#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 609328118 APXDXTWMZCIVMR-UHFFFAOYSA-N 448.545 0.963 30 20 ICED Cc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1S(=O)(=O)NCC#N 609795123 PPGZUDQRBVOTBF-UHFFFAOYSA-N 441.513 0.858 30 20 ICED C=CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 609970830 LPMXSPOXTGQPOJ-CQSZACIVSA-N 431.492 0.417 30 20 ICED CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCN(CCC#N)CC2)CC1 611173852 NZSVKGJPVUUIPL-UHFFFAOYSA-N 426.565 0.863 30 20 ICED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 726980985 HQYWKHXXTMUNFH-UHFFFAOYSA-N 443.504 0.922 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(C)(C)C)cc3)n(CC(N)=O)c2=O)cn1 727161214 RTLPOXNMTRENKD-UHFFFAOYSA-N 449.536 0.812 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2sc3nc(COC)nc(OC)c3c2C)CC1 728532634 GAIACDBCEOREOZ-UHFFFAOYSA-N 431.518 0.662 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 733677530 JBVRHOVKTFALJE-MRXNPFEDSA-N 439.538 0.381 30 20 ICED COc1cc(OC)cc([C@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 735691068 REWSLSNBFQVCSW-QGZVFWFLSA-N 433.486 0.982 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCSCCCO)c1 737290166 NRVFSEVZXLJDOF-LTGZKZEYSA-N 442.563 0.670 30 20 ICED C=CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 742569067 ZNHGNJCONMQWQY-KBPBESRZSA-N 425.532 0.705 30 20 ICED NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746109369 NPCQGKCYWZBWNI-UQNFDQQLSA-N 445.907 0.927 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCS(C)(=O)=O 753790642 RYDWNJIAYREOBD-CYBMUJFWSA-N 436.559 0.289 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758076077 FDWIJUWIGYQBEY-HNNXBMFYSA-N 426.523 0.633 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 761684334 XDSGUGCRHOWRLZ-BYSJWGDHSA-N 437.497 0.836 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 765188158 VRDXNOLMXGSFST-UHFFFAOYSA-N 445.295 0.413 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCCCC)c1=O 766393900 PMDXRZDUPKSSGR-UHFFFAOYSA-N 439.537 0.988 30 20 ICED C=CCS(=O)(=O)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 772717804 IPNPESBKPGFTLY-UHFFFAOYSA-N 447.510 0.071 30 20 ICED CCOC(=O)c1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C#N)cn1CCOC 776814488 JDHSDVBUMBOEDK-UHFFFAOYSA-N 447.473 0.619 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 783545766 VXAGRYBGJOWZEF-UHFFFAOYSA-N 436.939 0.692 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 783616215 DDWCHXFBKBGISZ-UHFFFAOYSA-N 439.353 0.835 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788536742 NLZARXHEMDCPIB-OAHLLOKOSA-N 434.497 0.705 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)n1 789789508 XOUQEVHDIWMVQT-UHFFFAOYSA-N 433.490 0.038 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(S(C)(=O)=O)CC1 793992115 MPZLPYHYYSUNQD-CQSZACIVSA-N 427.548 0.977 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1=O 798584557 CYWMPBIVTVHZEB-HOTGVXAUSA-N 444.531 0.098 30 20 ICED COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 802166991 TUEOQJRQYJWBMD-TUAOUCFPSA-N 445.519 0.147 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)C1=O 804793867 HYIYAUPYIIAMLA-HXUWFJFHSA-N 438.481 0.496 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C=O)c[nH]2)CC1 815256302 UIQIOWUOONSUAC-UHFFFAOYSA-N 430.442 0.389 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccoc3C3(O)CCOCC3)CC2)o1 815453416 GRSROVHFIASSKM-UHFFFAOYSA-N 444.444 0.951 30 20 ICED CN1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C2)C1 815746837 WOIWOMFIFVFYLR-MFTRDONSSA-N 447.561 0.992 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916788443 BKXRGXJIUIPAML-UHFFFAOYSA-N 429.462 0.093 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 918533732 DFEQVDOUIBTGIK-NSHDSACASA-N 425.410 0.806 30 20 ICED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408850 ZUYIPKZZJOIJJK-GDBMZVCRSA-N 440.547 0.020 30 20 ICED C=CCN(CC(=O)OCC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 921293611 DRWQFVSGVQIEAA-UHFFFAOYSA-N 440.518 0.836 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 1230109726 OPDHXNTVWVARQP-GASCZTMLSA-N 439.513 0.879 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302496625 PCUYGPCKKZCDKP-HNNXBMFYSA-N 433.513 0.810 30 20 ICED CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313495075 WMMYXLQXCWRHRG-MRXNPFEDSA-N 437.508 0.349 30 20 ICED COCCN1C(=O)c2ccc(C(=O)N=C3NS(=O)(=O)c4ccccc43)cc2S1(=O)=O 1317906125 PNQPJIZFLKXCJQ-UHFFFAOYSA-N 449.466 0.356 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1C#N 1468580523 TVSFQPUZXFIDMD-MRXNPFEDSA-N 444.492 0.785 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1504264578 VSRSCJDQLIAELP-GXTWGEPZSA-N 438.485 0.813 30 20 ICED COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1504379748 RLHDNOOQTABUMR-RTBURBONSA-N 435.481 0.945 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1505145648 QQGFTLPJUJMELC-SFHVURJKSA-N 436.469 0.707 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1545148150 IUWOGUSXUYYVMX-ULYRPOKDSA-N 440.504 0.970 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 1561531783 QYJLZDVSNLKTBO-SJORKVTESA-N 425.532 0.403 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 1686341769 QAEDBUYWKDFCGE-FQEVSTJZSA-N 441.532 0.840 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1711279262 SHMNGLHMSDVEAM-MRXNPFEDSA-N 428.518 0.920 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722477617 VQZFXJQCNHVGIF-AWEZNQCLSA-N 441.330 0.764 30 20 ICED C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1731022955 KZBXLQBOUYLWNR-WGGUYMNQSA-N 428.518 0.885 30 20 ICED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1749808016 RAVFENXQXLBSEB-UGSOOPFHSA-N 441.533 0.589 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1770325627 PGOUFHLFTGCQMS-XLIONFOSSA-N 447.517 0.503 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn2[nH]cnc(=O)c12 1780335502 WHCYGZAHOQLSJG-OAQYLSRUSA-N 435.444 0.288 30 20 ICED COc1ccnc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1OC 1780446383 HPERLIJRKXYYHW-QFIPXVFZSA-N 445.520 0.824 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1780792875 FFWBBXULPSPGEI-NBTGEXMASA-N 430.505 0.833 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1)C(F)(F)F 1782317839 ZVCWPIXOTGXMEN-FZKQIMNGSA-N 429.395 0.544 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)cc1 1783605198 IMJVKARCFHLBBV-BZSNNMDCSA-N 448.483 0.283 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)c1 1784380493 KQNHAXSFTJESQR-SNRMKQJTSA-N 431.514 0.492 30 20 ICED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n[nH]1 1785839928 YBPLFTUZMQZDIG-MPGHIAIKSA-N 430.509 0.487 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncnn4C)[C@H]3C2)c(C#N)c1 1785851689 VBTFJLSKSPWZBJ-SNRMKQJTSA-N 438.488 0.531 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)CCC1 1786759961 DDAQZEFMTDZFKK-HLRDLLSLSA-N 439.472 0.577 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1786858449 QDVBTRLXKVGCCF-IEZWGBDMSA-N 439.520 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3snnc3C3CC3)[C@H]2C1 1787737279 HTLFFEWJOSAHCN-FCLICNRPSA-N 445.545 0.867 30 20 ICED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)C(F)(F)F 1788629827 GSHWPPILPSXMED-FPXQBCRKSA-N 446.466 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCC)NC(C)=O)C[C@@H]21 1789894947 YDLVBTLMDDDIGB-OKYOBFRVSA-N 437.537 0.780 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790566879 RGXWXWJLQWZWSB-DKIMLUQUSA-N 432.521 0.668 30 20 ICED CCOc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1OC 1791077694 FCYMDZBCWOXUDH-ZWOKBUDYSA-N 444.484 0.704 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC)C[C@@H]21 1792259139 ZKXKGCNOMKQUPP-ATIWLJMLSA-N 437.537 0.918 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)c1 1792835980 ZGBKGSXIZPJHBJ-XEMDLRDOSA-N 440.529 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1793346240 GHXPDSOSDJHBAN-HEFCWWFNSA-N 425.485 0.813 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793361966 XNQNOYUNJBPHME-GAGVYUBLSA-N 427.498 0.010 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794816698 XVYAXJIJCFTZPQ-YVSFHVDLSA-N 443.504 0.596 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797949279 LSHCWVJKUAGYKE-WGVRVLLMSA-N 426.473 0.217 30 20 ICED NC(=O)c1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1799040477 SHDSGMLGKIBADT-VSNPHJFBSA-N 430.465 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)s1 1799042951 APPANSNOEBCJNJ-BKEDOTJMSA-N 434.514 0.705 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)N1C[C@H]2C[C@H]2C1 1801995687 KZZMAJHFHZNNDI-VGNZSDNGSA-N 438.528 0.867 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1803547760 BJEKFLHTWIBZMX-ALKREAHSSA-N 425.493 0.459 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)c(=O)nc1O 1806854968 NVYUWJSLFJMKQG-SJLPKXTDSA-N 436.472 0.662 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1814106321 AUJPIZVBRSBPAI-OFNKIYASSA-N 425.533 0.665 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817236822 YJSIMIWQFIETCO-OCCSQVGLSA-N 444.429 0.928 30 20 ICED Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)no1 1817242537 BPWXRAIIMXAKIX-SNVBAGLBSA-N 431.430 0.468 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819891509 UEDRZIKKPWUQTR-IAQYHMDHSA-N 430.477 0.917 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339486 SVEFIYWXJJHVMD-VGOFRKELSA-N 434.489 0.819 30 20 ICED O=C(NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1cccs1 1831209615 QBLMSYRXDZXLGA-NRFANRHFSA-N 431.514 0.348 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831396872 RZUSWRCGRFQTJJ-BTYIYWSLSA-N 427.461 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1831403064 WFXOCIROINULAY-FGSXEWAUSA-N 431.489 0.344 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1832005251 GJRWWTNZAJIACT-HOIFWPIMSA-N 435.521 0.972 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832348116 XEUVXGSLKFHTJR-GCJKJVERSA-N 438.521 0.911 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c(=O)[nH]c1C 1833391483 WFBOXFDOAHLSRX-NRFANRHFSA-N 429.477 0.151 30 20 ICED Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834265762 UTDRXXRHFBZCDF-FQEVSTJZSA-N 435.550 0.803 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834711576 GKPSAIVYQIJYMT-IERDGZPVSA-N 439.509 0.501 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1834715282 NUPJLQLJEXFEKV-UHFFFAOYSA-N 429.569 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096985 QEOGEBDLUYUTNZ-DFWCCGOPSA-N 437.496 0.353 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H]4COc5ccccc5O4)C3)C2)CC1 1835338546 KYUJMDDKDXOOGJ-UZUQRXQVSA-N 441.484 0.977 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835755763 LHLHLKPINPCRJM-LJQANCHMSA-N 448.520 0.357 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988987 CSAMMFIUHTVMDZ-GCJKJVERSA-N 434.537 0.382 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1cc(=O)nc2cccnn12 1836099792 JLOJASCKPGUJAB-UHFFFAOYSA-N 448.527 0.688 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2Cc4ccccc4O2)CCO3)c1 1836657257 WICBOWOKHKQCNU-NFBKMPQASA-N 436.468 0.960 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1836861726 GOHUSRCDRRRFAA-MRXNPFEDSA-N 446.504 0.598 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cccs3)CC2)CC1 1837179041 OOUNAFFQFDCRGU-UHFFFAOYSA-N 447.513 0.565 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837399527 VSRXHYSSJBVEDH-VGSWGCGISA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1837403099 NMBSXPCAEUBBDI-CVDCTZTESA-N 448.564 0.920 30 20 ICED O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567477 MPDLWHUYEHVEFO-MHRHTVJOSA-N 429.477 0.511 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n(C)n1 1838044757 BUAQIWMYRFPZRE-HRAATJIYSA-N 435.525 0.853 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)N3CCN(C)CC3)CCO2)C1 1839104823 KSEPRJFPFNTPIL-YLJYHZDGSA-N 444.523 0.290 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c1 1839215694 GQPROSABJXIICM-CVDCTZTESA-N 440.500 0.558 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839447022 FHGHXZBKRPJQMG-QFIPXVFZSA-N 446.504 0.450 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)C2)C1 1839811743 MHFRXIOAJRAWDJ-DRSNIGMVSA-N 435.521 0.722 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157664 XBBLWGYRKXFVKQ-STXHMFSFSA-N 445.582 0.922 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840166865 ILZHIJQUXISOLH-OAQYLSRUSA-N 449.529 0.359 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840292977 YPBYIUDSTQNYIG-QFIPXVFZSA-N 430.505 0.650 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840293705 QDIPIDWSGHQVNG-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349890 GNJHBKHXXSAIPR-ZWKOTPCHSA-N 429.521 0.347 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)c1ccc(O)cc1 1844298013 SMULYIDZDRPBMQ-DENIHFKCSA-N 441.528 0.743 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301386 KZSBRTZIFPNZGF-JAUGKAAISA-N 444.492 0.327 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cncn1)C2 1847073892 NFXGJJXSWLCBLC-HZPDHXFCSA-N 430.509 0.959 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3ccccc3)CC2)c1=O 22004336 NGODXVDBWFXHTB-UHFFFAOYSA-N 425.489 0.396 30 20 ICED COc1ccc([C@@H](CO)N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 440377001 RYAIYCLADDDBOI-LJQANCHMSA-N 434.456 1.337 30 20 ICED CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1(C)C 447289866 GMVKQYZGUFCIGT-IIBYNOLFSA-N 429.452 1.504 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 460584828 NUEJOAZOVHCRCB-SFHVURJKSA-N 429.440 1.086 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 470824631 POSFPLDJZNJJCR-INIZCTEOSA-N 441.469 0.466 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 480475811 XHCSGOCWQVCSDH-AWEZNQCLSA-N 447.517 0.596 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481773822 CBSRPCSSJDSLLX-MRXNPFEDSA-N 426.491 0.490 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CC)CC1 489101820 XIXFFNXELSSLEL-UHFFFAOYSA-N 426.542 0.605 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502716922 UAYNYNVCHVDQLU-SJORKVTESA-N 437.518 0.340 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 524281454 YDWSDUNCSMNOLD-UHFFFAOYSA-N 433.493 0.069 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n(CCC#N)n1 532597064 ZARORGAMPVWIOM-KRWDZBQOSA-N 429.525 0.589 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 533884042 CQIDOZNSUSEZEX-INIZCTEOSA-N 426.498 0.973 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542084228 GRDGETVFVRVYMQ-UHFFFAOYSA-N 443.895 0.616 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](c3nnc4ccccn34)C(C)C)CC2)c1C#N 552640362 XGPHMKVJISNMJW-SFHVURJKSA-N 449.519 0.805 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 555270763 LBCCNLDJMXXQBX-CABCVRRESA-N 446.599 0.469 30 20 ICED Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 555965896 LDQQAESHYZNIQC-UHFFFAOYSA-N 439.519 0.939 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2=O)cc1 559509812 DFHVOYUSQZYBCS-GOSISDBHSA-N 449.515 0.847 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)CC1 567066586 UMNRKFZGENXUIL-UHFFFAOYSA-N 425.533 0.967 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 571576749 HUODKCAUBPXDLI-YMGMXPECSA-N 435.531 0.385 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 577397648 SRUPNEYTXKBQON-UHFFFAOYSA-N 442.501 0.491 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCC(=O)OC(C)(C)C)CC2)c1C#N 588812001 XNWITZPQCWCVIM-UHFFFAOYSA-N 432.525 0.877 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c(F)c1 610081202 LEDJMGALPLEAHM-INIZCTEOSA-N 445.538 0.597 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 611616391 JZWWAUZIDBSYFH-UHFFFAOYSA-N 426.454 0.566 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 612221515 QMDYCIFCVDMMNF-SFHVURJKSA-N 441.513 0.770 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 729281877 QXVKVNDGFZXZAI-MRXNPFEDSA-N 438.575 0.185 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 732911756 GXHJOUHLDDZQNP-UHFFFAOYSA-N 429.458 0.864 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)n(-c2ccccc2)c1C 733563715 BPAALTYXOJQBIS-UHFFFAOYSA-N 437.412 0.868 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)cc1 733858552 ZPLZDZRVRONJKK-HOTGVXAUSA-N 434.474 0.778 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 737166792 FEYBOTYQDZTHQG-UHFFFAOYSA-N 442.497 0.809 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c[nH]c3cccc(Br)c23)c(=O)n(C)c1=O 754711683 ULTJBNZXRPGALZ-UHFFFAOYSA-N 440.279 0.640 30 20 ICED C#CCCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 755061011 VVWFGJFZVYILBU-UHFFFAOYSA-N 436.534 0.632 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758051240 YOHUEIXQDXLAHO-UHFFFAOYSA-N 427.530 0.150 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 761024458 NVRUISWHZIABEF-SECBINFHSA-N 440.394 0.794 30 20 ICED C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 764409641 ZJPGZFVWNVPEPI-LBPRGKRZSA-N 433.490 0.047 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 767627753 BSQSVDXROBLMQK-GFCCVEGCSA-N 441.487 0.812 30 20 ICED COC(=O)c1ccccc1-c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 771896640 FIPLOGQRCOOUKI-UHFFFAOYSA-N 446.441 0.443 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1cc[nH]n1 772348770 YDXFAWOTBDBBDG-CYBMUJFWSA-N 434.453 0.665 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 783480172 POHSNQLYFYZRMO-IBGZPJMESA-N 432.546 0.416 30 20 ICED CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 787497970 CKTPVGXKXALQRA-UHFFFAOYSA-N 449.559 0.935 30 20 ICED CN(CCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 788883586 IRRUGNHTTDTAGB-UHFFFAOYSA-N 430.509 0.975 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 800114868 JGDAEBIZAYYKNS-CVEARBPZSA-N 443.570 0.866 30 20 ICED CN(CCOC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)S(=O)(=O)N1CCOCC1 805878925 XIOBPEKQWVJGNH-INIZCTEOSA-N 440.497 0.576 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)OCCO)c1 807548181 URGRPIHTLQIZAZ-CJLVFECKSA-N 440.522 0.342 30 20 ICED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808035849 ADCXHZFVEDWUQL-KBPBESRZSA-N 433.513 0.628 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCC1 814253961 OZEFHIWAZWOXBA-UHFFFAOYSA-N 435.509 0.644 30 20 ICED N#Cc1cn(CCNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1224723392 YUADCQUAIHDDCC-UHFFFAOYSA-N 445.911 0.595 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1286962281 YLCYHZZJYWERDV-CQSZACIVSA-N 443.537 0.968 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1299292811 JQXAKVHMEVJOTR-JKSUJKDBSA-N 432.506 0.467 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1326382399 GZEFSCKSIMPEIO-IEBWSBKVSA-N 441.532 0.597 30 20 ICED C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 1359139318 QXYZWDBFLSJSCH-QGZVFWFLSA-N 446.533 0.261 30 20 ICED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1502677415 ZALUUHOOTOMJGH-LJQANCHMSA-N 440.570 0.952 30 20 ICED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1504758832 ITLIZELWKSLKRC-NRFANRHFSA-N 428.493 0.795 30 20 ICED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1519529136 PYTZKIFMDSCRII-INIZCTEOSA-N 444.517 0.584 30 20 ICED CN1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(N2CCOCC2)CC1 1597423974 RZJUGXYTGUNSOG-LJQANCHMSA-N 425.533 0.824 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSCCS1 1611711348 MSVSMGOANXSGEF-YNEHKIRRSA-N 432.597 0.466 30 20 ICED CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1615905234 KCCRTNXETOPWSC-QGZVFWFLSA-N 439.520 0.930 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1624326067 WZMDWJCRAQDWOI-DOMZBBRYSA-N 428.461 0.987 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCn2cc(Br)ccc2=O)c1 1651056504 WRQHDUBZIRSKSF-UHFFFAOYSA-N 439.291 0.577 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COc2ccccc21 1706889767 IPBXLLQWOQOVQT-KKUMJFAQSA-N 432.506 0.793 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1709909128 MNMPSFCPDMQBNO-UHFFFAOYSA-N 440.508 0.668 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1743208802 PHFAOUXFMVPCGZ-OPAMFIHVSA-N 439.520 0.462 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1751238719 VDPQPTPVNVGWPJ-WMLDXEAASA-N 437.570 0.491 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779018620 CUBACXMBMYRIPM-BOURKTIISA-N 426.481 0.040 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100172 TXTSLRWSXDXZAQ-WBFUMKGTSA-N 433.509 0.878 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCN(C)CC1 1779139468 DSUARLDLWRURIB-PYEQPNSUSA-N 431.537 0.164 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)C(=O)O 1780191442 BOGDGRGUWKRKHB-MGPUTAFESA-N 434.880 0.718 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1780802525 WBIGCDRSBAQYSJ-HDMKZQKVSA-N 448.457 0.026 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781015110 HFRHOVYGQGQANY-DRSNIGMVSA-N 435.521 0.864 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1782709808 RZUCFKGBLROGON-KXLWREGQSA-N 441.481 0.907 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783912766 GETASYXEDHDROK-KNTRFNDTSA-N 426.517 0.982 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783927844 CICAGRJGBRWOCR-SFTDATJTSA-N 433.436 0.757 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)cc1C#N 1785196533 WFHCESKWPYBXBH-NRFANRHFSA-N 449.529 0.834 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785572892 QISNBDKRYLIUJJ-VFNWGFHPSA-N 446.508 0.175 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344966 NEVSTBLWEZSXAV-DNUAJFIVSA-N 447.492 0.323 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1)C(F)(F)F 1789798470 XMTAMRGHZQCGQE-QZWWFDLISA-N 432.487 0.721 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cc2NC1=O 1791078890 FNQKCSZIZVRSFA-OWCBBSPXSA-N 441.440 0.087 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1)C2 1792485867 SXXSFDVAFQWEQE-ROAZTASUSA-N 427.501 0.686 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794361766 JWTIKOOBPOKGHM-VPTLXERWSA-N 438.440 0.239 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)nc1 1794460247 JHJKHKPHJUGUPJ-HGKCTWBKSA-N 428.537 0.633 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1795275553 KDHHZUPHULNDGT-XEMDLRDOSA-N 431.452 0.690 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CS(C)(=O)=O)nc1 1796538112 QHZOXRMNOKMNDM-FZDIXFNVSA-N 433.530 0.916 30 20 ICED Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)n1 1797621867 NFSZSYWYZBCMDW-YVWYUNDQSA-N 442.907 0.614 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798431303 BFCCIYSKOFYNLX-NYSWEBBMSA-N 439.582 0.522 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)c1cc2n(n1)CCNC2=O 1798466592 GJMOCHXSSDMNMF-BJWYYQGGSA-N 439.516 0.577 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801529298 AXTUOTLIGALWCS-NTGVRKBTSA-N 440.543 0.511 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1803543398 BWXLYAJJCSPLEV-MDYRTPRTSA-N 440.460 0.931 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)C1 1809771357 UVWNAXDEJPVXKW-UHFFFAOYSA-N 443.548 0.815 30 20 ICED N=C(N)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810326652 GSDIBHLRRVMYEB-PXNSSMCTSA-N 426.521 0.269 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810332796 ZVKDDLAQVOSWHU-DENIHFKCSA-N 426.517 0.922 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1811538519 FYHNLDIOWNKJHV-MAUKXSAKSA-N 446.404 0.326 30 20 ICED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815211629 OPAVKAIGHMXHAU-JSGCOSHPSA-N 429.414 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3ccn(C)n3)sc2C1 1815541346 NMLKAGJOONHYIN-FMFIFOJESA-N 428.518 0.890 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829755650 IFVQXAFJISJCFT-HXUWFJFHSA-N 442.501 0.835 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccc(Cl)cc1)CCO2 1830690279 ZGHIQJAKYFWGJN-HXUWFJFHSA-N 434.832 0.067 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C)nc3)C2)C1 1831387323 OECXFNWBIZAEHN-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831391974 AJMGBZHNLZKSQN-BTYIYWSLSA-N 427.461 0.066 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1831438935 YBFNFFKDLAAKPB-JBYIUTFZSA-N 433.505 0.896 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1833509482 MURLUYLLTZZOIF-QRWLVFNGSA-N 435.481 0.356 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833621748 RKHDLAREHSTBEC-MGPUTAFESA-N 431.518 0.656 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cccc1=O 1833869887 DIXMPRYQSAWZNI-XMMPIXPASA-N 435.480 0.507 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCCC#C[Si](C)(C)C)C3)C2)n1 1833881375 UIWBFXXKVLTUIX-NRFANRHFSA-N 447.612 0.936 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1834763700 RVYOTBMUMXMLCK-HXUWFJFHSA-N 430.417 0.513 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834948200 MBDOJVPEEVYZOG-AXKGWLQCSA-N 443.500 0.380 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835098261 FFHLYDVBLPAKAP-NRFANRHFSA-N 439.428 0.440 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)C2)CC1 1835338771 RUGIYINKIOCAIP-OIBGTREISA-N 430.417 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835706739 QAYFCPWGTCBHMU-MMOPVJDHSA-N 433.509 0.339 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835730009 YZPFOWNXJJIWKP-KHCKMINHSA-N 448.612 0.944 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834217 ONIUUALEBRPQFN-YDHSSHFGSA-N 446.548 0.501 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128414 RAOSUXHPQKTQBA-HTAPYJJXSA-N 449.504 0.039 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3Cc4ccccc4CN3)CCO2)C1 1836499105 UDNPVQKZZOVKBA-MEKIYTOJSA-N 443.544 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1836859155 RQRVLVQBKUTHGX-MAUKXSAKSA-N 439.509 0.088 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837445078 BIRFLYGFAFTEBZ-JLDPKJTDSA-N 448.480 0.465 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)n1 1837445271 NHIZORXTQQHACF-IGPUNGKJSA-N 445.520 0.637 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837562097 COHLTMUBUOHGPX-WASGLIHHSA-N 443.403 0.265 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1838010595 JUIPGDKQGNOBBU-ZMPUUUETSA-N 434.497 0.946 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(COC)c[nH]1)CCO2 1838512627 QKSWJVGXRZHDIY-XSAUMEDDSA-N 446.504 0.090 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(C)[nH]4)C3)C2)c1 1838579553 PTZSJVVDOWTCPH-JOCHJYFZSA-N 439.472 0.982 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949576 JPZHPBKRCMXJER-HRAATJIYSA-N 449.529 0.309 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839175284 ZPNXANSXDPSNKQ-JOCHJYFZSA-N 446.504 0.409 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1839225311 FGOFCOGVWBFZNZ-KKSFZXQISA-N 444.492 0.600 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 1839806402 OFSMPQMIXKUTIN-QPPBQGQZSA-N 425.529 0.988 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 1839808536 UDNQDONQHYQQHW-JTSKRJEESA-N 435.521 0.866 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c(C#N)c1 1840014955 NWINCXXRFNWLMY-NZQKXSOJSA-N 443.500 0.745 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1840162347 USUXZVJZZOZREB-YWZLYKJASA-N 431.518 0.656 30 20 ICED O=C(CCc1ncc[nH]1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840325352 VAPNGRJHFYKROK-MHRHTVJOSA-N 429.477 0.511 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716649 PEMQCIFRIINPQR-AOMKIAJQSA-N 444.488 0.740 30 20 ICED C=CC[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1)NC(=O)OC(C)(C)C 1840795652 UUVMYELQNXIWRC-HRAATJIYSA-N 440.541 0.261 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1840842953 LNHTYZPEZWONFC-QMHKHESXSA-N 441.484 0.889 30 20 ICED C=CCOCCCC(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1841605262 LWBRPBJKPBUQEO-UHFFFAOYSA-N 427.567 0.844 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)cc1C#N 1846877701 WGOZIVUHMPMJPZ-UHFFFAOYSA-N 439.472 0.714 30 20 ICED C[C@H](C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 409566422 XVEAQKBIWZEKLZ-INMHGKMJSA-N 446.475 0.279 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 432955806 VPZYOTMUSHUDQY-UHFFFAOYSA-N 430.490 0.923 30 20 ICED CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438703436 DWCGCBLIZQDGQK-HXUWFJFHSA-N 448.483 1.173 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)cc1 441593408 CYGDDOXIZYRGQJ-UHFFFAOYSA-N 432.433 0.834 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 443786208 SEKNSXNXRLDBGC-UHFFFAOYSA-N 432.458 0.963 30 20 ICED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1(C)C 447290299 LLYSIZOBQWDBON-YCRPNKLZSA-N 426.477 1.068 30 20 ICED COc1cc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc(OC)c1OC 463621877 HMQICYJCGOUXDU-HNNXBMFYSA-N 447.469 0.966 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C2CC2)O1 470907327 SGRADEUTOVJDIR-LPHOPBHVSA-N 432.546 0.890 30 20 ICED COC(=O)CNC(=O)c1ccc(N2CCN(c3c(C#N)c(C)nn3C)CC2)c([N+](=O)[O-])c1 472432321 LYKAQNZIQCQDEU-UHFFFAOYSA-N 441.448 0.738 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3C[S@](C)=O)CC2)c1C#N 472878860 GRNLOGRPOYCFFU-PMERELPUSA-N 428.518 0.766 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 478847223 BXWUQEIHDOOWBB-CYBMUJFWSA-N 436.449 0.910 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 482516740 YLKCEDGLHPKOJZ-VGOFRKELSA-N 442.541 0.978 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 482839861 VCPNSKSSLVTHFL-IRXDYDNUSA-N 447.561 0.380 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 485743414 BIYLNYNKBMSNCK-QZTJIDSGSA-N 434.518 0.563 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)CC1 491074689 HHZWWKBYJWUUBE-UHFFFAOYSA-N 442.545 0.956 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cn2)CC1 497457659 OXJIZHLVQYBPEJ-INIZCTEOSA-N 442.545 0.470 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508847825 WQJQWPZQJKMRAM-UHFFFAOYSA-N 440.570 0.577 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CCN(C)CC2)c1=O 512732512 FHMLCXHGKRQHLR-UHFFFAOYSA-N 442.589 0.668 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 517774724 GXSRILUJXVHNKE-LJQANCHMSA-N 449.515 0.248 30 20 ICED Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1S(=O)(=O)NCC#N 524230094 DPMKCOAGLGDMAS-HNNXBMFYSA-N 433.534 0.222 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(COC)o2)c1=O 531938907 RAKOXXZMGDTLMP-UHFFFAOYSA-N 433.530 0.961 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)N(CCC#N)CCC#N)c1 533177555 UYJVZGWLNALZNI-UHFFFAOYSA-N 448.549 0.841 30 20 ICED C=CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 533388044 VANBZJDLTPDYGI-IBGZPJMESA-N 435.546 0.450 30 20 ICED CCN(CC)C(=O)c1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 550891200 FMUCIHIYHATYDU-UHFFFAOYSA-N 439.520 1.053 30 20 ICED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 556167771 TZSQZRISUNCFHX-ZBFHGGJFSA-N 429.477 0.975 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](C)C1 562159606 YJOYZDNFGZKZHU-QUCCMNQESA-N 442.564 0.855 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)CC(O)CC(=O)NCC(=O)c2ccc(C#N)cc2)cc1 575010618 ZTFNDMCMFQAWSY-UHFFFAOYSA-N 432.436 0.869 30 20 ICED CCc1nsc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 575960769 ZIWGHCFYLHNFTJ-UHFFFAOYSA-N 437.489 0.840 30 20 ICED Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)sc1SCC(N)=O 577148995 UMTRBGTZCDPPCJ-UHFFFAOYSA-N 425.517 0.818 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 587687469 AYONEKINZCNGQB-MAUKXSAKSA-N 436.534 0.634 30 20 ICED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588869086 XUUOOFPIDPBCGT-CKEIUWERSA-N 434.518 0.055 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)n2)c(F)c1 589430587 TVXOBPHSPCXCGU-IDHHARJASA-N 440.435 0.764 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 608911781 POKAWFOMISDSRO-UHFFFAOYSA-N 434.477 0.545 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCN(CCC#N)CC3)CC2)cc1 611175440 CGXUBBDIPIYISC-LJQANCHMSA-N 433.578 0.748 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4cnccc4c3)c(=O)n2C)CC1 618638662 LBROAKFLDMIKGY-UHFFFAOYSA-N 433.537 0.662 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 671834380 MANOYUUZKSYKCM-QGZVFWFLSA-N 447.967 0.729 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)o1 726648053 VPAJGTMSFWMUGF-UHFFFAOYSA-N 445.436 0.858 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(NC(C)=O)c3)c2=O)cn1 743726245 KGRCPNRASZJYET-UHFFFAOYSA-N 434.481 0.727 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1CCOC 748043165 RGSKWVJCFPMTJH-HOCLYGCPSA-N 445.541 0.928 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 749874466 QWMNHFVEQKNUEW-QFIPXVFZSA-N 439.472 0.188 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1=O 751673376 LSFGAIBAGWQSPV-CQSZACIVSA-N 433.467 0.841 30 20 ICED CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 752139954 OLPRIAFJLOSOKQ-GHOZOMOVSA-N 438.506 0.753 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 753708374 SAGDPEHHSQPQGV-GOEBONIOSA-N 425.532 0.683 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 757065050 FHSPFYUOZMBMER-IVZQSRNASA-N 433.472 0.853 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3cccnc3C#N)ncnc1-2 758101334 OXWKJPUSMUOCOQ-UHFFFAOYSA-N 437.283 0.156 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)cc1 760397501 WFGVXSIVJRIAHN-MLIMZQRQSA-N 432.449 0.570 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778130822 LQMRJIKNAPVJMQ-LLVKDONJSA-N 433.364 0.747 30 20 ICED C=CCS(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 782965033 VJPXELVWVPMKFC-UHFFFAOYSA-N 432.524 0.544 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 790326112 PFXSMTYJLQPLRT-UHFFFAOYSA-N 433.484 0.982 30 20 ICED Cn1nnc2c(C(=O)[C@@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccnc21 802045023 ILECEFNZTGSADV-MRXNPFEDSA-N 434.416 0.943 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 806026802 LRLXJXDSBMLZIC-IBGZPJMESA-N 442.516 0.976 30 20 ICED C=CCCCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 807443671 RKOOPHQVBXMURN-UHFFFAOYSA-N 436.534 0.998 30 20 ICED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 810774150 DRRHEBRTYYCZHK-UHFFFAOYSA-N 447.966 0.749 30 20 ICED CON(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)ccc1Cl 813984311 PAHTZCRRLHWLBN-UHFFFAOYSA-N 444.878 0.907 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N(C)C 915785167 PPYWLPLJACFJQE-UHFFFAOYSA-N 430.490 0.679 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1=O 917200721 JTVIZJJKUFZAQY-HUUCEWRRSA-N 443.479 0.971 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cnn(C)c1 919133197 ZRCCIBHRUCRNCW-AWEZNQCLSA-N 449.489 0.586 30 20 ICED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 919315687 MRERMDBDJCYOBF-HKUYNNGSSA-N 449.529 0.765 30 20 ICED CS(=O)(=O)CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 920110215 BYVLCFWPAGDVQI-HNNXBMFYSA-N 427.504 0.553 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(C(=O)N3CCOCC3)CC2)C1=O 1115952209 GFRJERIKYDERPO-UHFFFAOYSA-N 426.477 0.350 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CCO1 1303004701 RXPKIWLJODDRJJ-GDBMZVCRSA-N 430.490 0.432 30 20 ICED C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 1339082900 OHMRETDDQUDEGM-VQIMIIECSA-N 426.521 0.763 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1360248354 PJXHIOBQSXCQKP-KBPBESRZSA-N 445.446 0.408 30 20 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30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)c1 1796441154 LVVWUHFLAGSZNN-OPVJXMOQSA-N 446.529 0.187 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 1796564255 XJACSBVUARDDJK-HGKCTWBKSA-N 445.472 0.581 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)c2c1CCC2 1797048060 BLVZQOWQSQIJSH-NVTYBUQISA-N 425.489 0.824 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321639 KOBZAKNPKBAINE-XEMDLRDOSA-N 441.532 0.988 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797812113 XYIFJZKFVNQIBG-WXCWTQAASA-N 435.525 0.387 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)cnc2c1 1798692378 KMQGKHDRKLACSR-CWPLJXCYSA-N 446.467 0.720 30 20 ICED C#CC(=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 1799152998 QWDQCDIHMMXSDF-PDDMAZILSA-N 433.505 0.234 30 20 ICED 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NHJHLRZKVJOXFS-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837240888 CKHMLFLRGBDFMB-WAPODSJJSA-N 430.567 0.175 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837446723 NYFLVGHZVBNVDM-DHNIJCFSSA-N 444.536 0.371 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837524907 PABBKVJUBNMWAE-UZWDYZERSA-N 432.477 0.681 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839116458 FUDOFSOUVHOKHO-WMZHIEFXSA-N 433.549 0.500 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132124 UHTWPOKLKCJBEX-REWPJTCUSA-N 444.532 0.564 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)ccc1F 1839185859 OPRFBNRYVXMFML-HSZRJFAPSA-N 444.507 0.792 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185905 PURSVYGSMKEBQH-IFMALSPDSA-N 433.480 0.713 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839226680 UMNJAXVDAHEHLF-DYESRHJHSA-N 439.509 0.753 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839646355 SKJZCRFQVALXQF-NLMIPJBGSA-N 425.485 0.534 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1839809258 JHONHRGISWQENU-FQEVSTJZSA-N 433.417 0.315 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839890397 YHTDNIGHDSQRBA-SFHVURJKSA-N 442.419 0.229 30 20 ICED CSc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044220 RCLDBPNUMHSFIA-NRFANRHFSA-N 432.498 0.495 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840160264 CPSJGYVSXYHVPS-MEDUHNTESA-N 447.355 0.571 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840164857 QUYKUYZIRASLBS-BEFAXECRSA-N 428.551 0.694 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)C1 1840568793 OAAYTEBHDXSZMZ-QHCPKHFHSA-N 426.517 0.509 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1840843342 KZRAFDPGVAQCAA-JTHBVZDNSA-N 445.491 0.873 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1841054065 IFVWSOZNJYYZPZ-JJEJIETFSA-N 428.533 0.839 30 20 ICED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1841136912 IIKVPDXWQCRMJF-UHFFFAOYSA-N 437.504 0.933 30 20 ICED Cn1nc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1=O 108765163 SYJHJDHVACVBEK-UHFFFAOYSA-N 438.400 0.406 30 20 ICED CCc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410153376 YMGDJSDQOMHRLO-SJLPKXTDSA-N 436.534 0.630 30 20 ICED CCN(CCC#N)S(=O)(=O)N[C@@H](CN(C)S(=O)(=O)N(CC)CCC#N)C(C)C 410405245 XLOBFLPIPVFZBG-INIZCTEOSA-N 436.604 0.493 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 440806058 QSZHGWFPVOWNTA-UHFFFAOYSA-N 443.475 0.480 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2)c1 442001924 MUWSQNCKBXEYCA-GOSISDBHSA-N 447.451 0.245 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[C@@H](C)C(=O)OC(C)(C)C 442335615 PAWVLEYNDYRUHL-ZDUSSCGKSA-N 434.497 0.969 30 20 ICED CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446528591 GFZQZRBTJRBJGU-UHFFFAOYSA-N 445.520 0.800 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCc2ccccc2C1 460586562 RHOXMDOUAVVGTP-UHFFFAOYSA-N 429.484 1.560 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461375623 GUBBOKGVBZQFJP-UHFFFAOYSA-N 438.509 0.562 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)S(C)(=O)=O 464857907 RRIIZSYDBJTPFQ-MRXNPFEDSA-N 437.570 0.035 30 20 ICED COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 465871215 JBEBGOLFWJJEIL-SFHVURJKSA-N 446.527 0.756 30 20 ICED N#CCCN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(Cl)c1 470219678 MMQVVXBKXSKMSG-MSOLQXFVSA-N 440.953 0.674 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 475991256 QMCDAGBNXPMJFH-LJQANCHMSA-N 432.484 0.892 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 480185975 VRZKDYHXPXRRLD-HIFRSBDPSA-N 428.536 0.155 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 482176801 LRXNKTUJCZKXTJ-QGZVFWFLSA-N 447.561 0.382 30 20 ICED C=CCN(C(=O)Cc1cc(S(N)(=O)=O)cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 486235323 YKQQZQNQKKRPNG-CQSZACIVSA-N 429.506 0.967 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1 489192433 CMMRCDJPFBPCLB-OAHLLOKOSA-N 427.482 0.032 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 490305457 DHJSUHOIFJBWCJ-UHFFFAOYSA-N 432.487 0.907 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nn1CCC#N 504530195 PWFNMDIHTGJCQW-CALCHBBNSA-N 443.552 0.692 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)n1 512980422 IFNRYZLBXBOVCK-UHFFFAOYSA-N 448.480 0.657 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@]12C(=O)Nc1ccccc12 514033407 UFNMEISESPBIRC-AUUYWEPGSA-N 449.558 0.420 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C)c1=O 523476514 UGOUCMXVZSPELO-UHFFFAOYSA-N 427.526 0.617 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O 524281251 NFDGXFPTAFZWGG-GFCCVEGCSA-N 427.482 0.300 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1Cc1ccon1 532193671 LXPJDIKKNUCLFR-UHFFFAOYSA-N 445.298 0.958 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CC(N)=O 532674746 VAHAGEFHXGHPSP-UHFFFAOYSA-N 445.504 0.239 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCOC1 542011369 QLXNFGLQHOQXDU-LLVKDONJSA-N 446.510 0.698 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 542286362 FWSVSSXKTIVDQO-INIZCTEOSA-N 438.444 0.719 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 546594880 PTTUJYQZELCWKF-QGZVFWFLSA-N 438.488 1.430 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1=O 546779739 SKPMOONMZTZXEM-AWEZNQCLSA-N 435.593 0.637 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@H]2CCCO2)cc1 549854491 NTVGDCRMTAJULL-LJQANCHMSA-N 449.515 0.923 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 558158114 JNHYAHRGFZJRJW-UHFFFAOYSA-N 431.522 0.989 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)C1 558245570 GTGVRKVSVAPMBB-ZDUSSCGKSA-N 437.478 0.022 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)n1 558520770 ZJRVYXUGVGJERR-UHFFFAOYSA-N 439.382 0.902 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 573133587 CLDIETXEXHYONV-QZTJIDSGSA-N 444.488 0.171 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n1 574490577 CZKJSZTXDBOGAE-UHFFFAOYSA-N 443.489 0.104 30 20 ICED C[C@]1(c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)NC(=O)NC1=O 581219893 CCBJPAFWPNZKPV-LJQANCHMSA-N 427.442 0.530 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 589403162 GLINIOMXQNBCKP-HNNXBMFYSA-N 426.433 0.647 30 20 ICED COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1 603697437 QOFIWLPPFDYNAN-UHFFFAOYSA-N 439.476 0.938 30 20 ICED CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)NS(C)(=O)=O 609455454 NLHFSEVTKSNAJG-UHFFFAOYSA-N 442.563 0.403 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 610421240 HCDVIQVKROQFFL-OAHLLOKOSA-N 449.464 0.205 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cn2)cc1 615057501 SHCFLPIKLWVQMT-INIZCTEOSA-N 444.469 0.692 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2=O)cc1 619704729 ZAOYSHMLKUFQQX-IBGZPJMESA-N 441.513 0.947 30 20 ICED C=C(Cl)CNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 736239216 QKQCTBXTZLMHLJ-UHFFFAOYSA-N 431.880 0.923 30 20 ICED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccc(C#N)o2)c1=O 743725210 ITNSTLGXMBVEPY-UHFFFAOYSA-N 436.497 0.890 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 754294151 MDNVFKJNWFYVOT-JTQLQIEISA-N 438.300 0.341 30 20 ICED O=C(N=c1cc[nH]cc1I)NCCN/C(O)=C1\N=CC=CC1=O 760035405 WZFIXGCSJQXAKJ-OUKQBFOZSA-N 427.202 0.756 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOC 763249548 DBYVLNYCUKLZOF-UHFFFAOYSA-N 431.470 0.050 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)cn1 763381650 GERKCRLSXNFIEW-UHFFFAOYSA-N 438.469 0.809 30 20 ICED CNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 766261569 LFACCSOUJSYLPH-GOSISDBHSA-N 448.545 0.878 30 20 ICED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766982325 OEYHSGSQVGSGSW-CQSZACIVSA-N 429.520 0.966 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@@H]1CCCO1 781500227 NDLRDXANBVOXJI-ZFWWWQNUSA-N 443.547 0.909 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2F)c1=O 782341107 QJNUIRZKLLFGRT-UHFFFAOYSA-N 431.876 0.697 30 20 ICED CS(=O)(=O)CCOc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810303674 RCHUVRXZFOYDQF-UHFFFAOYSA-N 437.499 0.899 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 811253033 KTVAFAYIXJITDB-UHFFFAOYSA-N 432.433 0.782 30 20 ICED N#Cc1c(N2CCN(CCNC(=O)c3ccccc3F)CC2)cccc1S(N)(=O)=O 811804626 VHXHFCGKDCUQNI-UHFFFAOYSA-N 431.493 0.897 30 20 ICED O=C(N[C@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 816757679 YYDBEUHCIGIIFS-HNNXBMFYSA-N 439.490 0.355 30 20 ICED CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 832520763 RROPBWWFCXKAPR-AWEZNQCLSA-N 427.548 0.931 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 918409249 HUIKLSCDMSLYJZ-UHFFFAOYSA-N 443.485 0.524 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1293241721 FFOQFRQEJAJKGT-UWJYYQICSA-N 426.477 0.595 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301766819 JBMIOFFNCQLYIC-UTKZUKDTSA-N 428.541 0.523 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502344216 ZJSDAENLDSDHAA-OKZBNKHCSA-N 430.557 0.232 30 20 ICED CN(C(=O)CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)C1CCCCC1 1584929009 QTSNYRRYDHUKMB-UHFFFAOYSA-N 430.509 0.146 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1620349941 VWOMZNJHWXXCAR-UHFFFAOYSA-N 449.558 0.325 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712453649 VDATWEWFXFBINU-INIZCTEOSA-N 435.554 0.932 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723951930 FNOBNIYDNFBGIF-URLQWDBASA-N 439.586 0.472 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1741944671 NSXQVVMSEMCRKJ-GJZGRUSLSA-N 425.559 0.491 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1768811526 RHTGTZAERCYNMM-KRWDZBQOSA-N 432.506 0.718 30 20 ICED COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1770304130 QVJFICYDNYHXNI-SJORKVTESA-N 439.476 0.397 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779322255 PNCYPFFUDFFCLV-SOIKWTOOSA-N 430.509 0.721 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779333842 ODDUZJXEZGZAJW-DRSNIGMVSA-N 446.504 0.875 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779525165 HYNQYGUBQWDAES-WNVMFQPGSA-N 427.417 0.330 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnc(O)nc2O)C3)c1 1780179803 UNTOGKUULKIUJP-FOIQADDNSA-N 426.433 0.529 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)ccc1F 1781295210 KNDSOVGEZDQAFG-JOCHJYFZSA-N 440.431 0.783 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793823 VGYHMLWQCCRBHI-UGKGYDQZSA-N 428.489 0.347 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782053501 LMZAFEZVBPQLON-HXUWFJFHSA-N 430.417 0.192 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782958993 GIQKHPXBTKMAEE-WIYYLYMNSA-N 431.514 0.887 30 20 ICED CC[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783565924 SCAAECQRDIKERZ-BTYIYWSLSA-N 437.493 0.598 30 20 ICED C=CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567976 LGWAZJMBOKYSTJ-ZHRRBRCNSA-N 449.504 0.764 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783685474 CPSWSBMKEFMCAZ-QFIPXVFZSA-N 440.537 0.316 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783758770 CFQNQLMNMIMHSR-HSZRJFAPSA-N 440.500 0.779 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785156977 ZYFKWUGPGFWTTD-OWLYRPNTSA-N 439.472 0.058 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788412290 YLHAHHRFYSWAOP-RVKHQLRBSA-N 427.505 0.281 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)cc1 1792424992 BEEQNCHDCKXRLF-RMFSNUHRSA-N 447.495 0.888 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1793352232 GRJKWLUSKJCWJB-OPMZPASUSA-N 445.564 0.905 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713013 DQKVDRRAXAEMBP-BAAGSCJXSA-N 427.505 0.594 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C)c1ccc(O)cc1 1794230929 GDCRUGRCOSOHMS-AYMMHLMVSA-N 437.500 0.921 30 20 ICED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)[C@H]1SC(=N)NC1=O 1796044635 OIBWJNAGYYETPL-SBJFKYEJSA-N 434.566 0.709 30 20 ICED C=CCC(=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 1797120814 LQDGDLVOBLAPJJ-KMOPNRPKSA-N 437.537 0.770 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C)C2 1800451285 USSVFQVWJKLCHG-DMUMMCEESA-N 442.516 0.740 30 20 ICED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2)NC(=O)OC(C)(C)C 1801931198 QXZVOBQERXGHHL-AXVVYFOYSA-N 438.569 0.997 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995849 UZRVEONQFAFXBP-REGYPHIPSA-N 443.504 0.234 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804187038 LBOYTXQPYNGKHE-BXWFABGCSA-N 443.504 0.212 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1804374790 ZZEWGFFVTNOSOP-FCGDIQPGSA-N 448.564 0.873 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806641489 OIRPNIQAZKTOFL-FUHIMQAGSA-N 428.489 0.875 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1815205477 XGTDAXFMWSLWPB-GDBMZVCRSA-N 442.476 0.711 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1817318589 PZKNPRIWWVWPOJ-AEFFLSMTSA-N 447.540 0.334 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819904753 IJXJVFZQWQUMCS-QVEVIOGKSA-N 446.489 0.981 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1821595480 LZIJKLVPIDEDGD-JOYOIKCWSA-N 427.446 0.167 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195549 BWVDRDJCSHMNTK-APWZRJJASA-N 441.532 0.898 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968517 UWTHXDBMKKEQRG-SLFFLAALSA-N 437.581 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1829765200 MFDMHLCGQAKHJD-VKUXZERMSA-N 432.452 0.149 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3OC)C2)C1 1829769452 STEZWTDEXQFXOA-AXKGWLQCSA-N 443.500 0.624 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902406 QCXIQJPGERDIQK-HSZRJFAPSA-N 442.516 0.329 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830757498 ZQKPMNQDRRUZQY-ZJSXRUAMSA-N 425.529 0.979 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831418537 CHKWKBHMOALPIS-WZONZLPQSA-N 442.516 0.924 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832795754 DNQOMIAPQKCSAJ-SFHVURJKSA-N 439.494 0.167 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833120333 VOTMWCWLFQFVFH-QGZVFWFLSA-N 446.596 0.366 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(N4CCOCC4)cn3)CC2)CC1 1834002885 JSLLGCQAGJLODW-UHFFFAOYSA-N 425.533 0.737 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1835101877 JPSLRKDKECKMFS-QHCPKHFHSA-N 436.468 0.364 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290609 WWULBPJAWWPZIU-UYAPEEHZSA-N 441.484 0.889 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1835674074 DSLRGCLUUXNXAP-LJQANCHMSA-N 436.538 0.077 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1835681284 WGGWSURAGJGSCN-QFIPXVFZSA-N 448.495 0.883 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836050048 MRAGFDDBVKCGRX-JOCHJYFZSA-N 444.536 0.147 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837099592 ZWPKQXGGVLSMFZ-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnc1 1837440820 ZXAUWNRQWBJFBI-GEEYGDQWSA-N 432.525 0.372 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559971 KUYWFKFBAKPCMW-JNVMUYNCSA-N 434.493 0.070 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837561453 MDWACIUCMGTKJZ-LWOHLBADSA-N 443.460 0.394 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1837616123 VJHSWZJLFCXWHZ-WMZHIEFXSA-N 442.516 0.308 30 20 ICED Cc1cccc(C)c1SCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837709590 WFLMBYDEUKOUKZ-JOCHJYFZSA-N 446.525 0.940 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838422684 MIUXQYPYNQJQCV-XMMPIXPASA-N 445.479 0.851 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1Cl 1838596198 SUZZDVMGUKMVEH-FQEVSTJZSA-N 444.879 0.573 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N(C)C)c3)CCO2)C1 1838922888 OUIKPSGPXZVGPK-JPYJTQIMSA-N 429.517 0.861 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1838950217 NYOHOSHYKQQAJM-QFIPXVFZSA-N 426.473 0.251 30 20 ICED CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133322 KMTOWXHOMQRFOF-QHCPKHFHSA-N 445.516 0.992 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1839174103 FZRKWUUERDXRPX-OAQYLSRUSA-N 432.477 0.364 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224760 YFDSLZTWFRLFDP-KKSFZXQISA-N 434.493 0.961 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531903 OSZBEKAGIJPQBF-DEOSSOPVSA-N 434.496 0.951 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1839897171 CCBOEAAAYWVSPJ-OAQYLSRUSA-N 427.457 0.581 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840020843 OSBLZMABFZEQCN-CKJXQJPGSA-N 441.525 0.293 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840172480 PWBXQKNAMSTXBY-NRFANRHFSA-N 436.530 0.665 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327600 QYCMGSIXFMXLIW-WZONZLPQSA-N 429.517 0.854 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cc3ccccn3)CCO2)C1 1840330796 QGFLZFMRWKKNMI-DNVFCKCGSA-N 429.517 0.755 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343073 JMOIOVOELPICBS-OIUIXCLQSA-N 442.516 0.578 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840601473 MJDWQCJVGLRNHW-VMXOYPLMSA-N 431.533 0.882 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)C(=O)OCC)CCO2)C1 1840884914 BONOYSJDSQDZMW-AOMKIAJQSA-N 440.537 0.605 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)C1 1840895352 QLIIJBHWBZNRQA-LJQANCHMSA-N 439.559 0.269 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841485769 JYJPNCUPPCKIRU-HNNXBMFYSA-N 434.493 0.559 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1845485499 MBQCUHHUGBHDKD-UHFFFAOYSA-N 434.493 0.940 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1 62024164 SSOGRUYTAIJWKR-UHFFFAOYSA-N 434.474 0.571 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 409545096 ODNXZGCDSKSGOL-HNNXBMFYSA-N 426.564 0.818 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 437723226 SLWQCANPVMUACH-RDJZCZTQSA-N 446.504 0.912 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 440013183 MTKQJYDXQYXMCR-UHFFFAOYSA-N 447.439 0.265 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)nn1 441302739 MUYYNBUAMRGZQB-UHFFFAOYSA-N 443.485 0.398 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 444517220 CNXMDYXHUZEOQH-UHFFFAOYSA-N 428.880 1.302 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(=O)NC(N)=O)nnc12 467885610 FWHRJUPLGPMTMY-UHFFFAOYSA-N 429.462 0.024 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471074821 GBVWACZRMBQYGT-UHFFFAOYSA-N 449.533 0.654 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)c1C#N 472162945 ZIOKJSUKXGHAKA-UHFFFAOYSA-N 425.449 0.799 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1C#N 472868960 LSGJEQBNOMINLV-CYBMUJFWSA-N 437.460 0.607 30 20 ICED CC(=O)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 475006147 DEWKVAWPWQOVBV-GOSISDBHSA-N 433.534 0.833 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479365371 NXHSUABDILOQJI-OAHLLOKOSA-N 428.514 0.522 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 482181651 MYDPCQGZJZGEOK-CYBMUJFWSA-N 436.515 0.913 30 20 ICED COCCN(C(=O)CN1CCCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 491025876 DNZITSXFCKSLOR-IBGZPJMESA-N 434.562 0.732 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 499249015 IYQORTFCAKIIPP-GFCCVEGCSA-N 429.296 0.799 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OC)c1=O 501779903 ZJAOYRDUBRWVJP-UHFFFAOYSA-N 443.525 0.899 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 512274954 FMNNTKFHFANRAL-NVXWUHKLSA-N 436.534 0.882 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3Cc4ccccc4O3)CC2)cc1 532642452 IAGVSQIIGVOMBJ-IBGZPJMESA-N 440.525 0.984 30 20 ICED CN(CC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544014995 QHCCAMGQCNFXCU-KRWDZBQOSA-N 444.517 0.220 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c1 546055556 STWLJHMEBNVLHO-UHFFFAOYSA-N 438.550 0.014 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)nn1 546202643 FOQXDMWOWPJOGN-LLVKDONJSA-N 434.359 0.950 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2OC)c1=O 548820223 DVNFMXVHWMZNPV-UHFFFAOYSA-N 445.541 0.991 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)nc1 557235327 AEGVRZVDWFDAFF-IBGZPJMESA-N 432.484 0.519 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 559004556 XTEMFYCBMKUNAI-HNNXBMFYSA-N 443.537 0.967 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N=c2cc[nH]cc2I)c1 572926050 GPDXGXKOFVBDDU-UHFFFAOYSA-N 442.238 0.897 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(C4CCN(C)CC4)n3)CC2)c1C#N 583293971 IPBXHIVVHLHJIU-UHFFFAOYSA-N 442.549 1.074 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159904 OFSBXNLNAVZSBX-SFHVURJKSA-N 446.511 0.701 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157045 GCAVNTDQPNINMV-UHFFFAOYSA-N 425.510 0.838 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)c1 603110692 PEOGAUKHEJBIMS-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)s1 609564042 TWSXQAUDKYEIEL-UHFFFAOYSA-N 448.595 0.097 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 609941499 VEXQCPSPVDMGFP-UHFFFAOYSA-N 433.432 0.687 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 642895167 QTDNNVHEVJKIFG-UHFFFAOYSA-N 429.473 0.805 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CN2CCCC2=O)C1=O 726401730 RWGDWQBISRGZOO-IUODEOHRSA-N 431.518 0.864 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC(=O)NCC#N 731237080 COVUFHKACSDAAC-KRWDZBQOSA-N 425.463 0.334 30 20 ICED O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCCN/C(O)=C1\N=CC=CC1=O 741219388 LPZGSUXCWVXRNM-FMQUCBEESA-N 449.485 0.654 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 742535236 PVRZQNGXYIAHHU-UHFFFAOYSA-N 436.415 0.966 30 20 ICED C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 746046702 QMWLZGFLBYFWNX-SAZKUCFMSA-N 435.550 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647926 WOURXGJVPNLJNU-UHFFFAOYSA-N 425.558 0.993 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)c1 774520912 MIFSTIXULHCNKQ-UHFFFAOYSA-N 429.542 0.774 30 20 ICED N#CCc1ccccc1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 776816390 VSPOMOGXJADFDW-UHFFFAOYSA-N 427.530 0.958 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cc[nH]n1 789958692 IDQGUEMMAFXHGH-UHFFFAOYSA-N 433.440 0.986 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 794622753 FKPSGQADKRILGC-UHFFFAOYSA-N 429.546 0.855 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2F)c1=O 799933865 CWUGKKBBEZFLIC-UHFFFAOYSA-N 447.488 0.066 30 20 ICED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808028823 GXBKOBAPUMDYTB-CVEARBPZSA-N 428.493 0.585 30 20 ICED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@@H]1CCCN(O)C1=O 816756223 SKIHUIOFWKEXGW-QGZVFWFLSA-N 435.506 0.566 30 20 ICED CC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918316970 ZSEAWLXRDBGODC-RELWKKBWSA-N 449.533 0.519 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921103674 LHXNZXZGLWGPCI-LLVKDONJSA-N 430.508 0.309 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1115908564 DKQKAQNCFWRSRG-INIZCTEOSA-N 428.445 0.755 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1503407924 KDGHNSOKWZLNCR-WMLDXEAASA-N 444.583 0.202 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCSC2)C1 1505140215 UXJXVJBBQKRKBP-KKUMJFAQSA-N 442.567 0.093 30 20 ICED CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1552870842 KZFFSTDDLLASQW-MOPGFXCFSA-N 439.520 0.947 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1554383313 RZTSKPXYIJVBCD-OAHLLOKOSA-N 447.565 0.963 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCS(=O)(=O)C1 1612600065 SPCKZTKOOYCAAN-GDBMZVCRSA-N 430.538 0.788 30 20 ICED CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615846006 STDKTCOYIMXHKW-DYESRHJHSA-N 432.548 0.868 30 20 ICED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cc(Br)ccc1C#N 1664189366 UYFOLOZPBRDCKI-UHFFFAOYSA-N 425.268 0.476 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 1686341770 QAEDBUYWKDFCGE-HXUWFJFHSA-N 441.532 0.840 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1706073836 URSNVUUCIIEJDW-VBKZILBWSA-N 447.517 0.862 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)F 1729069976 LTHOWPGBKGVQMC-CYBMUJFWSA-N 449.466 0.573 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1778096795 SGGVIYDRPAGMOG-OPFGYUGZSA-N 447.557 0.724 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379883 HEEHDKMGQSDFCF-HXUWFJFHSA-N 433.534 0.379 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1778972056 SEXCYTOPCGZARO-YCRPNKLZSA-N 434.493 0.715 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099090 ALIUDLLOAOOURM-DKQKECBASA-N 438.525 0.508 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779525869 RUIZXLCWXYMZCU-QFIPXVFZSA-N 442.472 0.317 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)c1Cl 1780188354 TYZBPJOHKSZHPJ-VBKZILBWSA-N 445.863 0.253 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335904 PSLNGNTVNXJGNS-OYHNWAKOSA-N 436.472 0.543 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1781396390 XRMGPCCCAOFGHK-HRAATJIYSA-N 443.508 0.986 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1781801078 PGHNMFHHWGLMBI-GPMSIDNRSA-N 431.480 0.863 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(-n3cncn3)c1)C2 1782015220 DEHRCXBQSMYEMJ-XMSQKQJNSA-N 437.456 0.483 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782151360 IMGOLFOWLMHKLP-KZULUSFZSA-N 430.523 0.991 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783887294 YHBHPZUNSRYTJH-BXTJHSDWSA-N 443.566 0.771 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)CCO2)C1 1783896197 YHBHPZUNSRYTJH-SIFCLUCFSA-N 443.566 0.771 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)CCC1=O 1784983500 QSUOOYJEGRGYDL-QOKNQOGYSA-N 441.463 0.899 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1785075837 IMZMZUZCODCYAW-FXCLAUTBSA-N 427.505 0.350 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375495 BFLNGBYHBKACCZ-VQKOGROQSA-N 427.457 0.886 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785571924 HQZYCSQPHYNCEE-VFNWGFHPSA-N 439.509 0.352 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CN3CCS(=O)(=O)CC3)CCC2)cc1 1786358222 YAVMFZWKZNYBGC-KRWDZBQOSA-N 447.557 0.889 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1787626875 MYFYYSTYUWGCLQ-BXWFABGCSA-N 426.477 0.636 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@@H]21 1791272339 CVFIRSPERODCQE-LNLFQRSKSA-N 441.532 0.577 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC)[C@H]2C1 1791326225 IKWYBRBWEJLPPX-TXTZMMAHSA-N 437.537 0.918 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)cc1 1792558374 VJPDJDSVPXDBEX-CWPLJXCYSA-N 435.440 0.492 30 20 ICED COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1794374049 AEOISWKVOFVRHR-HGKCTWBKSA-N 437.456 0.639 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)ccc1F 1796357891 TYPNOKFMGTYDDO-HBCWATKFSA-N 441.419 0.344 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797967956 FSBYXMYTFNBLMJ-IYWMVGAKSA-N 428.489 0.107 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1798859177 OEADSGWHOAXXLJ-HGKCTWBKSA-N 434.456 0.015 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)CC1 1799236260 AKMBHPNABWWRCB-SCAQPMJSSA-N 435.525 0.076 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801912560 MAGAIZRUZKEXOZ-QLIIJSOBSA-N 427.501 0.630 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)c1 1811540447 GEGUAXCGODSYOS-UTKZUKDTSA-N 431.456 0.858 30 20 ICED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)c(=O)nc1O 1814484547 GBCYVQNXPRLNKN-NSHDSACASA-N 428.474 0.630 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)NC(=O)C=C)n[nH]1 1819576327 QXYFKDHXYLXYRM-WGCVJFFOSA-N 428.493 0.951 30 20 ICED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1)C(=O)C(=O)O 1826896401 MFNPJRPCZXXAPB-QGZVFWFLSA-N 449.552 0.431 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c1 1830602113 NNXPPCSHKWTJPT-QFIPXVFZSA-N 427.457 0.616 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1831137237 VGPAYPIQWRTQSV-NRFANRHFSA-N 439.509 0.007 30 20 ICED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832314657 XAOUEPJDTQIDAT-RRPYSREYSA-N 441.525 0.787 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ncccn3)CC2)CC1 1833076016 KVSCDCCTJIGCGN-PLNGDYQASA-N 426.521 0.520 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833329678 GWSBOCSIQCIHJO-BDJLRTHQSA-N 436.456 0.827 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)c1ccc(F)cc1 1834766072 VCDGQXXWCUZDJO-TZIWHRDSSA-N 432.452 0.373 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835362546 NEKPCAYDVNCILA-QFIPXVFZSA-N 427.505 0.144 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836010657 QVKBMDWGGTUIBG-IOOHMRRSSA-N 430.505 0.262 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1836295526 MYOWIGKCEDPADZ-JOCHJYFZSA-N 438.488 0.688 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836446990 FLSOJKARDAXYQD-FXAWDEMLSA-N 433.534 0.982 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525694 YUFWCYHRXYSNHB-ROZQTZPBSA-N 446.504 0.989 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(CC)n1)CCO2 1838152297 LQUWQRUYXXUZPO-JOCHJYFZSA-N 448.520 0.791 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838400949 WISIDGXIOPOUBW-SFHVURJKSA-N 433.549 0.818 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)C 1838732812 BEXNLADYKYWAER-PGRDOPGGSA-N 445.520 0.507 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)cc1 1838950180 MWLHVQGJMUKJQL-NFBKMPQASA-N 435.484 0.723 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839224146 FVIYQJSJLQUQDV-HGHGUNKESA-N 433.509 0.339 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839224734 XQIVAJQIHVOHDX-IIBYNOLFSA-N 434.493 0.256 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839228833 QFVPJIMXCJLEOV-XFYJMZHFSA-N 425.526 0.795 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1839421724 HONDYKKJKZRJQR-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488018 RPJROBIJVIZXOC-JOCHJYFZSA-N 440.504 0.456 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785678 YXPLJTKPUZMDPK-FXAWDEMLSA-N 426.535 0.214 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840164860 QUYKUYZIRASLBS-KXBFYZLASA-N 428.551 0.694 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840293525 HBSBKCWVMZNRCV-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840393599 VXTNUFLIQIJLBW-FOIQADDNSA-N 433.486 0.107 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840490748 KWTNEYYCCSTLQT-VGSWGCGISA-N 446.552 0.491 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 108938230 FHLKMIPGLVZTOK-QRWLVFNGSA-N 435.502 0.664 30 20 ICED COCCn1c(N)c(N(CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc2)c(=O)[nH]c1=O 109093453 MEERDYCHVFCDOK-JOCHJYFZSA-N 442.520 0.826 30 20 ICED C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 301274596 YYNSCDUSIBISBK-LBPRGKRZSA-N 427.490 0.950 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 410395225 AEEQJWIRHGDQQK-UHFFFAOYSA-N 440.547 0.802 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](OCCOC)C2)cc1 445174727 OYSQPEOHQVIPCW-MRXNPFEDSA-N 425.507 0.696 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461362017 KIWLPYMDLLZWML-UHFFFAOYSA-N 435.452 0.453 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCNS(=O)(=O)c1ccccc1 462100970 XACZTHZRSHQBMT-UHFFFAOYSA-N 425.474 1.547 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 465422274 JHUGOPAPQXJOME-CQSZACIVSA-N 425.449 0.444 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 476251307 PQKRYSPMRSYGHK-IBGZPJMESA-N 436.472 0.743 30 20 ICED COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1-n1cnnn1 482386419 AEUKIXSIIFVLTJ-LBPRGKRZSA-N 427.446 0.848 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cccc(C)c2)c1=O 488052780 DXCBCXRTDMPVCS-UHFFFAOYSA-N 443.550 0.164 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cc(Br)c(O)nc3=O)C2=O)cc1 489259382 VDAMXUCVGNYHIL-AWEZNQCLSA-N 446.261 0.500 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N3CCOCC3)C1)CC2 504804736 REPJBTSITRWNNQ-QGZVFWFLSA-N 432.502 0.100 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)nc1 518207482 DLLVXDZLCFMDJY-UHFFFAOYSA-N 448.483 0.713 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 534255937 IZGLAVRKWSBCCK-HNNXBMFYSA-N 427.486 0.605 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CCN(C)CC1 541082930 UHNHKTXUWUPXFB-UHFFFAOYSA-N 433.515 0.395 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)n2)cc1 543250072 FKVJIPDWFOVZEQ-GOSISDBHSA-N 444.455 0.843 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CCSC)c2nnc3ccccn23)C1=O 550230337 ASIUWPSZBHVNCD-HUUCEWRRSA-N 430.534 0.885 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 550696237 GGUMSHLHBXKEKK-ZWKOTPCHSA-N 444.532 0.966 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCN(C)CC1 550779834 ZIBHXXCONUTZKU-FGZHOGPDSA-N 440.592 0.611 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2sccc2C#N)c1 555923918 QLZUUPONSVZNKH-SNVBAGLBSA-N 435.487 0.610 30 20 ICED CN(CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(F)(F)F 557373798 BFIJPQNEIQNCTP-HNNXBMFYSA-N 425.411 0.386 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 557496336 QREVWWNSSBQODA-DNVFCKCGSA-N 440.500 0.572 30 20 ICED CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)c(C#N)cn1CCOC 561709535 PWLVFAQCOXISNH-JKSUJKDBSA-N 448.476 0.528 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 564261648 FIMMBZMRGUGLCJ-MRXNPFEDSA-N 438.488 0.797 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 564501269 WTQYXNOCDJZINL-HNNXBMFYSA-N 428.536 0.157 30 20 ICED CC(C)OCCN1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 568437016 MBRQFFJWICNHCX-UHFFFAOYSA-N 428.537 0.607 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)c(F)c1 609471012 ZSTLRFWJTQCYSB-MRXNPFEDSA-N 441.471 0.207 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 610053483 HISRVMSZQCHYLX-UHFFFAOYSA-N 432.444 0.747 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccnn2C)c1=O 611615558 AIKAWJXUVWUNHS-UHFFFAOYSA-N 428.514 0.859 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)cn2)CC1 618040648 PHIMQCFTYATBPY-UHFFFAOYSA-N 446.464 0.751 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c(C)c1 729673590 WWCWNJYBGXWIED-UHFFFAOYSA-N 447.582 0.599 30 20 ICED CCc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 729809267 UFLXOEIGWLIFLC-UHFFFAOYSA-N 433.490 0.777 30 20 ICED CCNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 731754049 IVBPTQLOEQGZOD-HMMYKYKNSA-N 431.540 0.560 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(CCN2CCOCC2)C1 734469254 XWJNSSHAYQAETD-QGZVFWFLSA-N 449.577 0.028 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCc1ccc2c(c1)OCCO2 741343314 KUQSHRXZFNASNG-OCXMVEDOSA-N 443.456 0.965 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@H]1COc2ccccc2O1 741343687 VEQIEGIASZWCLX-PYHIWIIMSA-N 429.429 0.791 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 745386500 HNZYKHIOQGGGKI-SFHVURJKSA-N 448.435 0.648 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 746572863 FXGLBGWKCLEXAI-UHFFFAOYSA-N 433.442 0.645 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 755543961 DACGTNSEAHPFHF-JSGCOSHPSA-N 442.476 0.691 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 758070731 WSTMQVYDRLUAMQ-UHFFFAOYSA-N 441.534 0.072 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 761038548 WNAIWLZQINDAMM-QGZVFWFLSA-N 445.501 0.636 30 20 ICED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 784964916 VDGMODWDDOGLSK-JJTVEENBSA-N 435.506 0.127 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1 789789146 QHKMFOXZYIJSSE-AWEZNQCLSA-N 425.445 0.849 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C(C)C)c1=O 794582229 NECKRQLWEIFVMS-UHFFFAOYSA-N 447.586 0.412 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCCO3)c2=O)cn1 794646352 HGKKBRLCRXCLEH-SJORKVTESA-N 442.541 0.711 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2cncnc2)CC1 796175831 VDHOZTPAWLUZCL-UHFFFAOYSA-N 443.485 0.357 30 20 ICED N#Cc1cccnc1NCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 801141737 PXRCDFTYPQVNHZ-UHFFFAOYSA-N 433.465 0.955 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 807381840 KYXOIQHGPKFUBR-UHFFFAOYSA-N 437.474 0.474 30 20 ICED CSCC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 807905600 UWBDEOUQNZELCS-AWEZNQCLSA-N 426.564 0.831 30 20 ICED COC(=O)c1cc(Br)cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 813068494 KTAZZDJOMMMTRA-ZDUSSCGKSA-N 443.275 0.815 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 838229929 REFMODRDXQXGFZ-UHFFFAOYSA-N 441.553 0.843 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)cc1 878407018 IXGGPTRKRJOIKK-FUHWJXTLSA-N 449.529 0.503 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1 916199079 AASUIOVVEQBFMS-UHFFFAOYSA-N 443.525 0.317 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(=O)N(C)C 918730250 UXSZSZUPAQSYLO-UHFFFAOYSA-N 440.525 0.120 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(=O)N(C)C 1116150215 GMPAVDWQKATYGL-UHFFFAOYSA-N 438.553 0.514 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](c4ncon4)C3)CC2)cc1 1116659197 HVJDAQQBXQKMCX-KRWDZBQOSA-N 431.474 0.942 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(C)C 1335696098 HICKOTQCXGEJBB-UHFFFAOYSA-N 433.505 0.979 30 20 ICED Cn1c(O)nc(N2CC[C@@H](NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)cc1=O 1639532432 KLYZUAORYXBJQQ-HUUCEWRRSA-N 426.452 0.718 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1692663982 NISUUGGWBBCLQV-JEWRLFTDSA-N 440.570 0.900 30 20 ICED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696997898 LUKMHDSRGJMICY-UHFFFAOYSA-N 442.499 0.890 30 20 ICED 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C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1813264944 TUAOQIZTSYBDEX-JDSYDOCNSA-N 429.477 0.302 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(F)(F)C(F)(F)C(=O)O)n[nH]1 1815567944 OHDZXQUMZUZUBR-SECBINFHSA-N 434.302 0.845 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)s3)C2)C1 1829764790 VMXZSAMZJNWQCY-QEVIJRNUSA-N 449.529 0.685 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)cc1 1829902145 IKCYLWMEZBXGHG-XMMPIXPASA-N 449.511 0.980 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831216306 JYEIYJPGYFMRBF-QHCPKHFHSA-N 442.516 0.157 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccccc1 1831275141 WSDSMSDBTBWNCW-YKSBVNFPSA-N 441.528 0.776 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831484581 ZVVBFUWQCIGIGC-UYAOXDASSA-N 429.583 0.704 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831484935 JHVZDNYUADHXES-BEFAXECRSA-N 438.506 0.199 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166857 SMRJFEZTGOLMDN-LSDHHAIUSA-N 430.370 0.968 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cs1 1832972044 YAHAIYCKGPBSPB-FQEVSTJZSA-N 429.502 0.964 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833388333 YNEUMLBLVLGZTD-MRXNPFEDSA-N 437.541 0.811 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1833426384 NTLOFYFCKUGDAM-UHFFFAOYSA-N 426.517 0.994 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833448975 OWWGWRKPEAZBOU-HNNXBMFYSA-N 441.598 0.436 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835717785 LETATHQFASDXFF-SFHVURJKSA-N 446.548 0.056 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811749 FFSHTZAIQRFDEI-KKLQWCBXSA-N 431.533 0.776 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836037017 HMOULANIZVWLSZ-HZQHCPKGSA-N 434.518 0.000 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836052297 QWWDEDGUJRDQQI-XMSQKQJNSA-N 432.521 0.439 30 20 ICED COC(=O)C12CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)(CC1)CC2 1836706697 VYTUGCFYORUWPS-LZBANZJXSA-N 433.505 0.870 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837303410 VGXISYPODOFVFF-JPYJTQIMSA-N 445.516 0.526 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1837396148 CIRBHIFUYSZTQQ-IIBYNOLFSA-N 435.525 0.502 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837398606 GDFFWWWJWWRUOZ-CYFREDJKSA-N 448.560 0.715 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837565299 RIGZVZZRGCLDMH-UWEDUSKQSA-N 431.489 0.722 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837956085 FYSKBQDTBANTQU-JOCHJYFZSA-N 447.488 0.670 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507427 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C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840841988 GRQDYIGFDSPCNQ-QHCPKHFHSA-N 440.500 0.360 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844185008 KQDPQUMTJXTKEW-CQSZACIVSA-N 445.524 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1847261332 ABBAAISLDOBWLJ-SWCLJWFTSA-N 434.496 0.957 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 63863398 MJNMJCGPCCKVED-OAQYLSRUSA-N 427.549 0.629 30 20 ICED COc1ccc(CNC(=O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 109161436 YASQWAGWVCQYTQ-UHFFFAOYSA-N 430.486 0.933 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2Cc3cccc(O)c3C2)CC1 429301422 MBLCOIHYGGAMGS-GOSISDBHSA-N 440.525 0.854 30 20 ICED CC(C)CN(C(=O)CN1CCO[C@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 436123866 MOIFPKSVEOPLJU-QGZVFWFLSA-N 440.504 0.793 30 20 ICED Cc1ccc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(N)(=O)=O 438514108 DCOHCJXYCWAHIA-CQSZACIVSA-N 429.506 0.453 30 20 ICED Cc1cc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n(C)n1 441184923 XTDIRJDTGMLHLK-KRWDZBQOSA-N 428.518 0.712 30 20 ICED Cc1cc(NC(=O)C(=O)NCC(=O)Nc2cccc(Br)c2)nn1CCC#N 441711375 CMEUOYTZQLFSCK-UHFFFAOYSA-N 433.266 1.561 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 441916395 BMRXQYKENKSWTM-AWEZNQCLSA-N 442.497 0.884 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442003661 PNIIFRYNRDILIQ-OAHLLOKOSA-N 448.439 0.162 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)CN1CCOCC1 442011216 LNYAOYZBTIGDIT-QFIPXVFZSA-N 439.472 0.883 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C(=O)NCC[C@@H]3C)nnc12 443042822 ZDDIZEDCOAOCAK-BLLLJJGKSA-N 426.502 0.963 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)ccc1OC(F)(F)F 443346912 NNGXBXDREVAAIS-DYZYQPBXSA-N 439.350 0.890 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 466192346 DCKJSZIJKNEPNQ-HUUCEWRRSA-N 439.513 0.879 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C#N 471708810 HOCACLYSZCDRII-UHFFFAOYSA-N 441.517 0.441 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472860188 MXZHIMCFVSWDHF-UHFFFAOYSA-N 439.476 0.012 30 20 ICED COC(=O)c1cn(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 474332017 XUTDMCSCNAMNIC-UHFFFAOYSA-N 426.412 0.592 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 482780665 KZRZECDUCKZRKJ-UHFFFAOYSA-N 448.423 0.978 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 483477269 OXHQDYHPYWYKFD-LBPRGKRZSA-N 429.524 0.422 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 499343205 AUCJXVYELJMFOG-LBPRGKRZSA-N 429.296 0.799 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 511592831 MOOAEXLEDNSVSD-QUCCMNQESA-N 427.549 0.070 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)cc3)c2=O)cn1 523181705 AGTSGWFYPXGNKH-UHFFFAOYSA-N 437.525 0.690 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C 532211196 PBXUMQNSNTUBML-HNNXBMFYSA-N 438.550 0.957 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 532667204 IKDJRHLWJRLLMB-UHFFFAOYSA-N 439.295 0.445 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1C 534926673 IXJJNRBGFPPDBD-JOCHJYFZSA-N 440.504 0.499 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c(c2=O)CCCC3)CC1 536306035 ZPAFKYLSIRSNKE-UHFFFAOYSA-N 441.513 0.527 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)n2)c(F)c1 541133192 GCDPQPVBEYFYIU-UHFFFAOYSA-N 436.407 0.935 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549297164 PFDBUWPJDLPOLN-UHFFFAOYSA-N 442.568 0.697 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 550674241 HKGFVYPPCUXUEX-UHFFFAOYSA-N 427.505 0.208 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 551048892 UHEMUUKLZQRTOM-UHFFFAOYSA-N 441.576 0.386 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 552450902 YXOFAWGHSWDJSZ-HNNXBMFYSA-N 425.507 0.795 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 603592465 QBBAPJKRIADLDZ-UHFFFAOYSA-N 437.503 0.582 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(=O)N(C)C 604269864 GTFRLBWBMNGBDS-UHFFFAOYSA-N 440.569 0.980 30 20 ICED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 610484172 ZGYJBMOTEUJHBY-SFHVURJKSA-N 426.514 0.879 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)C1=O 623221838 GOAZQOKMVQTKOX-AWEZNQCLSA-N 445.451 0.274 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 676369146 BUQLCOMNIUOYCX-MRXNPFEDSA-N 428.532 0.759 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(N)(=O)=O)c(C)c3)n2)nnc1N1CCOCC1 683580625 UPLRZHXOEUVKLI-UHFFFAOYSA-N 445.505 0.897 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729673020 BZTZJTSJOKBJPS-UHFFFAOYSA-N 437.518 0.123 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)C(C)C 729912618 CUDKXKBFXFJPGV-AWEZNQCLSA-N 430.552 0.841 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731851457 XEQVNNASEAIJMV-PFONDFGASA-N 433.895 0.548 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 734225620 LMLDWROKKDMMBC-ZOAKPAGHSA-N 449.533 0.563 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 735590659 JJGRFCNDZQXPEM-USMQXWLVSA-N 435.550 0.894 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCSCCCO)cc1 737288678 ALKPFQMPQUFZTA-PGMHBOJBSA-N 442.563 0.670 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 739121421 NGUBPDDHENZWBM-NWMBMZMISA-N 449.533 0.598 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742486969 GMTVRLUNVAXFNM-MRXNPFEDSA-N 449.577 0.564 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744010617 KQRXGFCHZKBTOO-SNVBAGLBSA-N 439.519 0.359 30 20 ICED C#CCNC(=O)C1CCN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)CC1 747795587 BKECXJKJDPSROL-SFHVURJKSA-N 448.593 0.849 30 20 ICED CCN(CCS(C)(=O)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 753734872 PAPASGAEMZTNMR-UHFFFAOYSA-N 427.548 0.852 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755547695 AYMMVVPVTVPYPU-DGCLKSJQSA-N 434.453 0.411 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCCO1 773798266 PEIINQVIAAVLTK-QGWWYQLQSA-N 449.529 0.720 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 774350259 OCXQUUZNRPLDEG-LIRRHRJNSA-N 440.522 0.646 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C1CC1 774538785 ZXWOLULORCJZSE-UHFFFAOYSA-N 434.521 0.959 30 20 ICED C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCO1 775323412 DKJROMGXJMFFNE-RTBURBONSA-N 433.530 0.597 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1I 776708172 ZFNIQHOCWCLQEO-UHFFFAOYSA-N 445.213 0.576 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CN(S(C)(=O)=O)C1 779332913 ZMQCIMBIFRCOMZ-HNNXBMFYSA-N 442.563 0.147 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 783482027 ZOQVJYGWCKLOEO-IXDOHACOSA-N 433.530 0.888 30 20 ICED CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 783922275 BDEWVEMKIQKZOY-LTGZKZEYSA-N 438.506 0.850 30 20 ICED CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785084572 PBMPLSONZDFOCR-OQKWZONESA-N 447.521 0.615 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)cc1OCC#N 785286739 OQZPUOOPHCUSGU-XOUADPBQSA-N 433.392 0.618 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NCc1ccc(C#N)cc1 789118166 MUKKNICMYIDKBD-FQEVSTJZSA-N 428.445 0.333 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)n1 789788053 DWTRQUPBGWZQSY-UHFFFAOYSA-N 447.517 0.810 30 20 ICED CNC(=O)COc1cccc(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c1 816127342 PHDQXGUXPNIZFZ-UHFFFAOYSA-N 432.414 0.639 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 838165695 DMKNEVRWAIRIOQ-AWEZNQCLSA-N 431.514 0.219 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)CN2CCS(=O)(=O)CC2)n(Cc2ccco2)c1C 919135530 GPWMWRNXOKLUSI-UHFFFAOYSA-N 448.501 0.830 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)C[C@@H](C)O1 1136206969 VIODPXIRJHJELE-CHWSQXEVSA-N 428.461 0.948 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCOCC1 1297275021 LULLRMGUABQBHB-UHFFFAOYSA-N 427.509 0.949 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299318168 UBJSOIXZOKVOFV-CQSZACIVSA-N 445.553 0.157 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1340961720 QVQSVDGCAAHCJU-GFCCVEGCSA-N 442.494 0.347 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CCC#N)CC1)n2C 1454909430 OSQHYQDWAHOWPT-UHFFFAOYSA-N 432.550 0.814 30 20 ICED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1503117543 IMMOMYBBQMYMJI-ULQDDVLXSA-N 432.504 0.889 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CCO1 1503771645 IZMKQZJCEIVNRQ-LAUBAEHRSA-N 426.477 0.573 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1510153730 DVGMNVWLSXAUAJ-AUUYWEPGSA-N 434.522 0.548 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1519505705 SMHOHUHXJZJNTK-BBRMVZONSA-N 445.542 0.589 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC[C@H]1C 1541675647 SCXXDQBGFIFAGP-AEFFLSMTSA-N 430.557 0.314 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1695439132 ZKIRNAASVAJNGB-UHFFFAOYSA-N 438.536 0.601 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1697698917 RDRSNAIGUFCYQV-ZWKOTPCHSA-N 448.549 0.854 30 20 ICED CCN(CC)C(=O)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1709992196 SDDGBYXLDBOOOU-CABCVRRESA-N 441.558 0.266 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712685495 ITHIVYTZXPJDEU-IUODEOHRSA-N 431.515 0.199 30 20 ICED CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723630609 BWQPGXBGQAUDMQ-RDJZCZTQSA-N 449.581 0.271 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1741944670 NSXQVVMSEMCRKJ-CABCVRRESA-N 425.559 0.491 30 20 ICED COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1748813532 QHSSTTVJGGLMAK-CVEARBPZSA-N 447.517 0.974 30 20 ICED CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750202750 UVKOHMINNNLJOV-QGZVFWFLSA-N 445.549 0.810 30 20 ICED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(C)(=O)=O 1750752575 YZTPXWDPKKQZHK-HNNXBMFYSA-N 432.554 0.898 30 20 ICED CN(C)C(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1766849620 ZGOPHOKTTNSSDI-SFHVURJKSA-N 437.504 0.879 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1767707672 LDFSOHKTAYJANG-INIZCTEOSA-N 432.506 0.203 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1768246467 VYJLASWLAIKCPJ-INIZCTEOSA-N 437.547 0.875 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778522317 YJHGCZFQYNCBTG-XSAUMEDDSA-N 438.488 0.340 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359424 OZIRFQBORCHQQF-FWQQEFPFSA-N 428.555 0.017 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360820 ROROGZMQRWQBJC-ALQCXSEESA-N 442.582 0.407 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395141 LJTXHNVXQUMHDJ-NJNPRVFISA-N 448.564 0.646 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779553504 JLOQSWANARZJOU-NNMXDRDESA-N 439.553 0.634 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1 1779899406 DHALBPRLTGUHAY-QFIPXVFZSA-N 447.455 0.990 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780648066 VFXSEMOONSFDQR-TXTKFYIRSA-N 448.608 0.871 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCOCCOCCOCCOC)C2 1781692565 YOGPZSNEPIXTES-DENIHFKCSA-N 440.537 0.220 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1ccc(O)cc1 1782255477 HEZAOFZKLINFDO-GEQKSPFYSA-N 430.501 0.714 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCNC(C)=O)C3)C2)c(O)n1 1783183037 NDDNCIOUGYNXLB-QFIPXVFZSA-N 430.505 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCCC(=O)OC)C[C@@H]21 1783532755 FDACQUFMFIHANQ-MFEJMLCPSA-N 449.548 0.948 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1783924598 SXTKJPYHVVYPEM-FCHUYYIVSA-N 429.473 0.546 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(C(=O)OCC)c3)C[C@@H]21 1784485504 NVXCRIQNJYYQIY-CAIZAGQASA-N 443.500 0.890 30 20 ICED O=C(COC(=O)C(F)(F)F)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784889087 FERJPCNSSYSBHJ-CIUDSAMLSA-N 438.296 0.972 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(-c4cccnc4)n3)[C@H]2C1 1787541719 DTPGIPMQKHRBNY-ZOBUZTSGSA-N 440.481 0.886 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c(O)n1 1788552701 ZCDKMLDRTGGTNL-OWQGQXMQSA-N 441.488 0.375 30 20 ICED COc1ccc(Cl)cc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077594 LZINUCGADIJNOY-OWQGQXMQSA-N 434.876 0.959 30 20 ICED CC(=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)C 1793197767 PUFFPRUXFIUYFQ-QRGLFUDGSA-N 435.569 0.599 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1793594666 DAAUHAKQDGSAKI-SFNKJDCFSA-N 447.536 0.942 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794505495 YJVKPYQHUJOBRE-QKPAOTATSA-N 431.493 0.530 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421110 UTJZEFKMMIHFFB-BASYENTBSA-N 434.493 0.806 30 20 ICED Cc1nc(Br)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796743057 BNTUOFYKGBMXNC-DDFAGTSDSA-N 442.291 0.505 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnn2ccncc12 1797060010 CPDBYEBDZIOCIE-ZSTXJBAQSA-N 442.476 0.462 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2c1CN(C(=O)OC(C)(C)C)CC2 1797314882 RFVUSWRUOZUMSF-ZSBFGKGUSA-N 444.488 0.804 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc[n+]([O-])cc2)c(C#N)c1 1798360880 BVYWLXPSGCHKDN-HATOLVCRSA-N 436.468 0.646 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)c(O)n1 1799409535 RUMJBNWMHVOEBL-CCWDJLKJSA-N 426.477 0.401 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882278 AIWFRAZIZLXPOS-YXPYIKCWSA-N 439.476 0.085 30 20 ICED CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1802172983 YJRQEEVLGBBZRZ-QTPWAPODSA-N 436.553 0.837 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803564944 LYVCXLWMXWSMOB-KYJSFNMBSA-N 440.437 0.403 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807145426 LKSDOHAKYDKGLO-NVXWUHKLSA-N 431.566 0.996 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc3ccc(F)cn3n2)[C@@H]1c1cccnc1 1812291491 DMFKKVNAZDIRTE-KUHUBIRLSA-N 436.403 0.671 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)S)[C@H]1c1cccnc1 1813042755 BWOYEYWLGZKPNP-UONJOCPKSA-N 444.561 0.876 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813177896 UDMWQUHJIZRPPD-CEQIKUNHSA-N 441.488 0.813 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819951584 FTBUXNRZHKPMTR-IJPWRJOKSA-N 432.506 0.360 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2NC(=O)C3=O)[nH]n1 1822201717 RBUFEERQIXQCDR-AWEZNQCLSA-N 435.396 0.938 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824898940 KSYCWJKHZRABMU-TUYSUELWSA-N 445.520 0.016 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2)C(F)(F)F 1825260690 CVAQBVPHZYJWEA-APPZFPTMSA-N 431.396 0.772 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2)C(F)(F)F 1825260693 CVAQBVPHZYJWEA-VXNVDRBHSA-N 431.396 0.772 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470475 WYANMONVZRUMSN-IERDGZPVSA-N 433.892 0.282 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1830748511 RJASUCTUWPCHSF-ACTFIFLWSA-N 433.505 0.474 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(C)(C)C 1831082698 IUCICQGLLVENOE-CSODHUTKSA-N 443.610 0.948 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1831396828 LNVNYKUDHRBCGX-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1831404148 JRGMQVBENISLIU-LAUBAEHRSA-N 425.526 0.340 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1831425248 ATNBAEPEDDZLMG-LZJOCLMNSA-N 425.526 0.339 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831426495 MGSHRGTUNQXYMU-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831483836 PBUKLULGWYACLW-WYTZPYIFSA-N 425.551 0.256 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1832000421 ORMJAQVBVUSFDM-VWKPWSFCSA-N 441.525 0.293 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833332888 CIJVJFBMXVWHPL-AOMKIAJQSA-N 444.488 0.148 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1Cl 1835307965 PMYHFHYFTGUMLW-IERDGZPVSA-N 446.891 0.560 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836125029 YQURHLHUZOQZJN-JOCHJYFZSA-N 449.504 0.449 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1837398830 KLVKFVVXSKUJQO-AVRDEDQJSA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1837400755 OAZULRYGPROSPL-AVRDEDQJSA-N 435.521 0.804 30 20 ICED CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441848 HFKZWEUVSMAJBL-XWRADEMYSA-N 433.509 0.779 30 20 ICED N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccn1 1837442301 VUMNIMZZEDDGJA-NMUQBYKOSA-N 444.536 0.010 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837443914 MVLKFHMEHXTEAK-GWJNGDFSSA-N 431.493 0.329 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489704 QLOMVLLYFYDRTB-JOCHJYFZSA-N 446.504 0.334 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)ccc1F 1839187491 GAIIDKTWFIBSKH-FQEVSTJZSA-N 429.408 0.393 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839215202 BTLIYGCULDMSKQ-AVRDEDQJSA-N 426.473 0.249 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1839420518 NRFALPHRDFPUKR-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839647591 NYQDSODNFWUULO-INTRFENPSA-N 432.477 0.195 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649487 TXEDJWKAXLITIL-IERDGZPVSA-N 434.493 0.162 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1839811036 CIINTMHYACOXSC-OAQYLSRUSA-N 433.461 0.328 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1840145697 OGTOHHZAPJIPTO-YVHKJVDXSA-N 433.505 0.726 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1840712516 LXHOSBRUGHBZKU-QRFQSNJMSA-N 442.472 0.492 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 1841788089 ASGPLAMKIRUVCT-QGZVFWFLSA-N 449.548 0.990 30 20 ICED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)sc(C(N)=O)c1C 31794533 HPYHETDKOANXRY-UHFFFAOYSA-N 433.446 0.186 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 410120843 MQYNOWSKACEYRT-CQSZACIVSA-N 428.536 0.184 30 20 ICED Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441399586 YALPEBSRZRRPTB-IBGZPJMESA-N 443.467 1.394 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCOC1 441952318 IZBQGKNPQBOCQO-INIZCTEOSA-N 443.500 0.447 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 443549988 IOYOQQNPQPUOFD-UHFFFAOYSA-N 446.579 0.816 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cnn1-c1cccc(C#N)c1 443730263 GYYAUJDSFUWAOU-UHFFFAOYSA-N 444.517 0.739 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 472871254 FEFYPPBLKWMZMW-UHFFFAOYSA-N 434.464 0.172 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 477085964 LMFGVQVJGYAWHE-UHFFFAOYSA-N 436.519 0.633 30 20 ICED N#C[C@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@@]12C(=O)Nc1ccccc12 477518962 GFSVYBOUVXHBDL-RCDICMHDSA-N 436.472 0.906 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C(C)C)c1=O 478740508 TVIBKKQEXUWHOW-UHFFFAOYSA-N 429.571 0.952 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)c1=O 486876512 YZHZJISFNDSKLB-UHFFFAOYSA-N 437.460 0.584 30 20 ICED C=CCn1c(SC[C@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 508440254 VROWPVLCDLFQNW-OAHLLOKOSA-N 440.547 0.597 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 510293118 ZLDKLEFOLYZOAA-INIZCTEOSA-N 442.563 0.813 30 20 ICED COCCN(CCS(=O)(=O)c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 513785874 VGVHEJVVXASWKX-UHFFFAOYSA-N 449.533 0.985 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(N3CCC(C)CC3)CC2)CC1 516506086 VUCDEHSVRSKKJS-UHFFFAOYSA-N 433.597 0.592 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccsc3)c2=O)cn1 523576514 ZYKROTUJZXSOHP-UHFFFAOYSA-N 429.527 0.443 30 20 ICED CCOC(=O)C[C@@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542261023 XEDMOERLAOQVKS-MRXNPFEDSA-N 436.534 0.665 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 549613747 OEMZYEWWZLOGGU-ZDUSSCGKSA-N 439.494 0.521 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c1=O 565409809 JEAXRQHGGXAEAB-UHFFFAOYSA-N 449.602 0.533 30 20 ICED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 573258835 UUTHESMIDAXHAD-ZDUSSCGKSA-N 435.296 0.588 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 576506061 LJZLAXICIPAHSB-INIZCTEOSA-N 439.586 0.209 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1 578449472 YKGHYHZRQLYNRX-MRXNPFEDSA-N 434.522 0.872 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cc1 584460661 WXDSPYHGGHRMLM-UHFFFAOYSA-N 429.521 0.649 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2=O)cc1 584551470 IKFYAZYDDGMHEN-FQEVSTJZSA-N 435.484 0.582 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CN(C)CCO1 589139036 LUJYVQNCMCAHBB-JXFKEZNVSA-N 436.516 0.590 30 20 ICED CS(=O)(=O)NC1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 599798170 GNVHAOLIGQKWBU-UHFFFAOYSA-N 428.536 0.205 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604164473 MAWQUYBFKGHOEB-UHFFFAOYSA-N 429.458 0.788 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606052423 ZARBCTYKWZVFHR-LJQANCHMSA-N 426.498 0.960 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 610810172 UTYAARFWUIOQHG-DCGLDWPTSA-N 430.490 0.269 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 725763964 CFLCMBYBMYNPNX-UHFFFAOYSA-N 431.562 0.572 30 20 ICED O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCN/C(O)=C1\N=CC=CC1=O 732153722 NZMLEOOKASESIA-WUKNDPDISA-N 426.882 0.651 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)C2=O)cc1 733830169 GBMJAWVONORMSC-HOTGVXAUSA-N 441.444 0.173 30 20 ICED COCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc2S1(=O)=O 747021941 SEIYWJVMCVLSSX-CQSZACIVSA-N 428.426 0.834 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc(OC)c1OC 749870258 KFKCWQGDDPQZRN-ZDUSSCGKSA-N 427.482 0.999 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 755310599 SDPCJLLEYBZJQF-LTRYHMRKSA-N 435.481 0.145 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[nH]c21 756891631 GGJPIBVGLWZUJD-WDEREUQCSA-N 431.453 0.170 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)c3cc(Br)ccc3S2(=O)=O)CC1 757747132 JTKOFTIBBKXQCB-UHFFFAOYSA-N 426.292 0.371 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)ccc2Br)c1=O 758079942 WQMZQNFCKSHCPG-UHFFFAOYSA-N 432.299 0.563 30 20 ICED CN(C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1)S(C)(=O)=O 758779451 VSCJVFPGCFMTHD-DZGCQCFKSA-N 429.543 0.811 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)nc1 761840442 AALKHPKQJDMTPA-UHFFFAOYSA-N 437.506 0.336 30 20 ICED Cn1cc(S(=O)(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)c(=O)n(C)c1=O 771892760 UUPUOSNADOKBKB-AWEZNQCLSA-N 437.478 0.435 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)[C@H]1CCCO1 773790212 ARXGORHTHCDXFB-IEBWSBKVSA-N 446.479 0.722 30 20 ICED C#CCCN1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 776592909 CIFJMHCSWNPPSI-NBVRZTHBSA-N 427.530 0.875 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 783482028 ZOQVJYGWCKLOEO-ULQDDVLXSA-N 433.530 0.888 30 20 ICED CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 783980174 PDJOZSGRSTUQAP-RELWKKBWSA-N 435.550 0.992 30 20 ICED C#CCN(C(=O)C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 793039737 AYOYTCJJBPVRNH-QGZVFWFLSA-N 430.486 0.527 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815269233 RBPOAHOCDVSGMX-CYBMUJFWSA-N 432.462 0.141 30 20 ICED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856694808 WVLBHOTUKYJSBI-CQSZACIVSA-N 436.490 0.115 30 20 ICED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 913611300 UANSPLHVPVLCAG-KRWDZBQOSA-N 439.428 0.299 30 20 ICED C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 921304426 HHORPTNRRHPZBL-KRWDZBQOSA-N 439.559 0.436 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1312055106 NYASZCZAAXPPOI-UHFFFAOYSA-N 440.548 0.903 30 20 ICED N#Cc1sccc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540616018 XBSUJMYOUYSCNT-UHFFFAOYSA-N 447.542 0.998 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1611677220 MBAQETCKWQTGOB-JTQLQIEISA-N 437.448 0.307 30 20 ICED CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728639058 WELWXXIJUMIPLD-OAQYLSRUSA-N 432.548 0.870 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C)(C#N)CC2)CC1 1741059758 VUCIGIZQHKEHNT-UHFFFAOYSA-N 430.557 0.710 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419698 ILGBJPLLPWTJAH-GANMLBODSA-N 434.497 0.472 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779881210 UZUWMKXMSSRZMX-NPMXOYFQSA-N 448.483 0.960 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010482 RHEYHUBBSOLXJP-OXQOHEQNSA-N 434.518 0.553 30 20 ICED C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1785436905 BNGQSYGTKALNNL-XWSJACJDSA-N 430.553 0.781 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1785576336 CGXYZQCLFDYLKG-OPAMFIHVSA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)Cc3ccccc3)C[C@@H]21 1786860240 RWCQEILUXZJYMD-TUFLPTIASA-N 442.560 0.852 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659899 ZLCQQIDLFCCUSE-BVGULIOJSA-N 438.525 0.267 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)OC(=O)OCC)[C@H]2C1 1790605085 LBGWUUYCXJRUIP-DYLMQSBXSA-N 437.493 0.386 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791327844 PCLVFNPGJSDFFT-IBGZPJMESA-N 433.549 0.980 30 20 ICED C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)C(=O)O 1792148458 JFQBWAYEMILKPZ-GVJQAJTESA-N 427.457 0.948 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053285 WCEJZMREEFDZBA-NTNQKNOYSA-N 445.541 0.510 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CCC1=O 1793788638 UJFYFRNHEWVUBU-HBCWATKFSA-N 449.471 0.246 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1793832210 FIKKBNMKYNGRCB-LXTVHRRPSA-N 433.509 0.970 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793974822 XAOOLHBIIZQXSP-IHSNIMORSA-N 430.530 0.990 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796281787 YILGXOONKSMXRY-JLVBRIDZSA-N 443.504 0.338 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c1 1796570889 NDLFRIJUKKLTGR-BJWYYQGGSA-N 446.471 0.569 30 20 ICED 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]1C[C@@H](O)C1 1797152767 FKWOVIGOCDNKBW-ARAZSQDJSA-N 435.521 0.264 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797904272 ZXOPFYKZYWVPGS-AMVTXUCVSA-N 448.487 0.566 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)c21 1798431802 RJEYQUNUCMLDMF-ZSBFGKGUSA-N 434.456 0.996 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1799394604 OZHNLQAPEYTTJV-JCQHHRMRSA-N 446.504 0.843 30 20 ICED C[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 1800907060 WGSIDGYCRJUALB-UXXRCYHCSA-N 445.582 0.559 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc(C(F)(F)F)c1 1802164964 IOWRVYWORXATLK-YWVIFJGQSA-N 439.394 0.449 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1802477631 QQBQISVFCVYNQH-NBBDWSPISA-N 434.500 0.979 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)C1 1829666192 ACIANYMIHBBVCS-OAQYLSRUSA-N 427.461 0.471 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)C1 1829669479 ZWYFSCPXVGNJES-JOCHJYFZSA-N 443.504 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1829771487 RNYWMZQBKXVUEU-QJKPHDSHSA-N 445.472 0.026 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907860 SPPWGDDMLLKADM-OPAMFIHVSA-N 428.489 0.082 30 20 ICED Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnn2c1 1830057605 HBYVKUYVACJXGI-OAQYLSRUSA-N 426.477 0.658 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831387262 MAYIYCFELIWUTP-YWZLYKJASA-N 436.534 0.274 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1831388476 UHLDJZGMQHSBIG-BZDHPDOMSA-N 436.505 0.070 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831484718 BXQDTKRFIVRLIO-VQIMIIECSA-N 426.539 0.005 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831493922 VSKQBFXGEQNKJI-YQWSLUAVSA-N 443.566 0.926 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)cc1 1832934254 ZWILAWNRBBYUHL-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1833465675 ORWFVZWOYYJNCB-CQSZACIVSA-N 431.493 0.111 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833659802 HYHJAQCQBOGFTH-VGSWGCGISA-N 430.505 0.256 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CSc3ccncc3)CC2)CC1 1833768016 SKFSNFMANIJBPW-UHFFFAOYSA-N 430.530 0.833 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835070477 UVBVMUXTBDRBPP-QGZVFWFLSA-N 447.536 0.646 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096044 MSMZVXAORBRQJZ-PGRDOPGGSA-N 448.541 0.175 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1835677202 BEAUYDHAFILBBW-NRFANRHFSA-N 433.484 0.573 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837447407 NFSOLNLUMQWVKA-BHSKHCGUSA-N 444.536 0.337 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837559688 BQGHQPCVSXYOEJ-NYNQOQISSA-N 443.504 0.668 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccccc1=O 1837684923 XXYKULZLWVVGTR-CPJSRVTESA-N 449.507 0.917 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883102 SURWHXYGAHSAMC-INIZCTEOSA-N 430.496 0.789 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838310256 BBCNHGKOQMDCIF-IFXJQAMLSA-N 441.916 0.944 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838423302 NGNNUQNZCBDOKX-FQEVSTJZSA-N 431.518 0.719 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1Cl 1838595492 RSCNCZCZGHXWCZ-HRAATJIYSA-N 446.891 0.560 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838736071 HWJRALCTPVLXFW-HXUWFJFHSA-N 427.417 0.076 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419533 GXOKMMZQIVCINR-AOMKIAJQSA-N 429.448 0.806 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839888102 ZYSGVPOMZZIJHR-IBGZPJMESA-N 425.432 0.516 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201396 QOHKMGHZHOLSSC-IBGZPJMESA-N 447.454 0.890 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343389 VCSFXMTVPMHWON-DZBWLDRMSA-N 447.492 0.408 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c(C#N)c1 1840537690 JUMILTHYFDKIBO-JPYJTQIMSA-N 443.500 0.602 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc2nccn12 1840815550 YKUKXZIBIYUAQH-QFIPXVFZSA-N 438.488 0.802 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902387 CJNHCMWALFFZQH-JPYJTQIMSA-N 427.501 0.675 30 20 ICED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301488 QTSHPYIKLIBWJE-DOUQRPAJSA-N 440.460 0.436 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C2)C1 1846137691 QPCCNGVOSUKJNY-UHFFFAOYSA-N 431.489 0.925 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC(N)=O)C2 1847069962 UJTMSYVVOGVDIM-LSDHHAIUSA-N 435.525 0.553 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 110261184 LGFYZGBVRNBGJF-QGZVFWFLSA-N 449.529 0.472 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)C[C@@H](C)C#N 409579097 VVUPEIAJMFMDLI-RDJZCZTQSA-N 426.539 0.501 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 431972294 JOESGNQKMUOKBT-UHFFFAOYSA-N 427.486 0.801 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] 436029311 RIVQHPVZAIWYIK-CYBMUJFWSA-N 426.389 0.916 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443267600 ARORVPZKXFNCMX-JTQLQIEISA-N 434.396 0.793 30 20 ICED CN(CC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 446337607 SIGMMNANRDQNEH-LNMJFAINSA-N 442.497 0.102 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 464803915 BKVYZTMMTQGKSG-RCMKLKEOSA-N 435.488 0.375 30 20 ICED C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 468934194 MDPMTUKBKASLBA-UHFFFAOYSA-N 428.580 0.819 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cc1 478426133 RKQBIAYSYBUTRL-PCCBWWKXSA-N 442.516 0.810 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 480428843 RLFJYGGEGUIGAA-LLVKDONJSA-N 442.544 0.511 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CCN2CCOCC2)c1 481434715 LBIOTCMHIQGZEZ-OAHLLOKOSA-N 432.506 0.392 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 490491328 JURQFGUQEOQPDC-IRWQIABSSA-N 444.517 0.578 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)C1=O 505405237 XCCYKSUASYJYLC-XJKSGUPXSA-N 430.436 0.971 30 20 ICED COc1cc([C@@H](C#N)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505482477 ZCRSGZTXLIPTLQ-RVJFBUOYSA-N 443.456 0.946 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H](C)S1(=O)=O 509761265 URGNUTDHKZYMMW-DZGCQCFKSA-N 430.490 0.810 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CCO[C@@H](C#N)C3)cc(-c3ccc4c(c3)OCO4)nc21 511147674 VGYCAEAZVVJRAF-LBPRGKRZSA-N 435.396 0.794 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)n1 515084432 KOSSCCZHTOKUIG-RBUKOAKNSA-N 449.515 0.268 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 515543915 UNOUGQNSAAYNQR-UHFFFAOYSA-N 432.488 0.993 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1 520691352 JYAMDCWAHBEOQX-WBVHZDCISA-N 434.518 0.821 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 522997795 PJJMSOYBJHKNGZ-ZIAGYGMSSA-N 428.445 0.851 30 20 ICED CC(C)(C)NS(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 524327114 DLCGAOHCQBGCES-HNNXBMFYSA-N 435.506 0.597 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)s1 524576985 YWJSACNUXWELLU-UHFFFAOYSA-N 446.598 0.505 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 530317745 ORRRSGMIRCLEQY-HNNXBMFYSA-N 447.561 0.378 30 20 ICED CCn1c(N)c(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(O)nc1=O 533021103 WZQRMRITBQJLHQ-UHFFFAOYSA-N 439.432 0.676 30 20 ICED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCN(C)CC1 543925222 NDROZIATAGAXPM-HNNXBMFYSA-N 427.484 0.821 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)nn1 546564014 MGYJHQKSEAVWQM-HNNXBMFYSA-N 446.489 0.421 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)c(F)c1 558039303 GKQVDYGSBVCNDC-RBUKOAKNSA-N 443.523 0.963 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)CC2)nc1 562134196 HIADWSGEHJWAFC-KRWDZBQOSA-N 436.447 0.663 30 20 ICED COCCO[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568688178 NIFIYKBKPVEOPV-RTBURBONSA-N 428.489 0.824 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 571807330 YJOYPLSXKHXGCC-SJORKVTESA-N 440.479 0.761 30 20 ICED CC1(C)CN(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 573477825 KAEMPJKQHPPCFB-GOSISDBHSA-N 427.505 0.002 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 588963458 MAGHIEKGBAMACD-MRXNPFEDSA-N 440.481 0.724 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911216 SGDYEFDDNNPEFB-UHFFFAOYSA-N 436.415 0.196 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618895089 RWCKOQRATIBVJJ-OLZOCXBDSA-N 432.481 0.712 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(CC#N)c2)c1 619482235 DRIXGDMSDFRJNU-ZDUSSCGKSA-N 436.515 0.966 30 20 ICED C=CCc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 641966710 FEAPXEXVDKJDAB-LJQANCHMSA-N 425.551 0.349 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(OCC)cc32)CC1 676522395 JUFVTSUAKYJPPW-GOSISDBHSA-N 430.505 0.472 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccccn2)c1=O 683622638 JFSRVSIGLFCDFB-UHFFFAOYSA-N 436.468 0.918 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3cnn(C)c3)c2=O)cn1 726180153 BKXOTZNIQDRVOP-UHFFFAOYSA-N 445.508 0.991 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@H](C)OC)C1=O 726403900 OOZMBGALBXUAQQ-CMGHYVMUSA-N 442.563 0.695 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 726982605 XMOQBVOUOHVVFG-UHFFFAOYSA-N 437.481 0.581 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 729061029 QJASBSRPQVDSKQ-UHFFFAOYSA-N 446.529 0.396 30 20 ICED O=C1C[C@H](Cc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C(=O)N1 739815738 WDAXDDTVRRCHHU-ZDUSSCGKSA-N 426.454 0.569 30 20 ICED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 742654552 JNKWZSWRNCEZTN-GOSISDBHSA-N 425.463 0.490 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc([C@@H]4CCCCO4)n3N)CC2)o1 743458549 WLYMRZMAOBEYQS-AWEZNQCLSA-N 432.510 0.843 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 744114706 WOVZWAXLBPRFME-VDERGJSUSA-N 437.861 0.569 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746175165 ZLEYVJGIUHEHFF-CQSZACIVSA-N 440.481 0.689 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 746214740 CJPYMKDMSIFREI-UHFFFAOYSA-N 440.544 0.942 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(C)(=O)=O)ccc3N)CC2)o1 750412215 MNCBVXRACXCZPU-UHFFFAOYSA-N 447.473 0.346 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 758049594 IEWKVMCIUVMAOL-UHFFFAOYSA-N 431.489 0.900 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 758991627 ZKMANKWVZJRALN-QRWLVFNGSA-N 434.899 0.892 30 20 ICED C#CCCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 759057430 ZPCHETUZFLJRNO-UHFFFAOYSA-N 436.534 0.490 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(=O)NCCO)c1 759925181 ZERNLIKXOUXLNY-CJLVFECKSA-N 425.511 0.510 30 20 ICED CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 763151722 DPTVKQNMOQTUSO-MNDSLLDVSA-N 447.521 0.996 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 772134649 VZWRMYWHPUOIHF-QZTJIDSGSA-N 426.535 0.070 30 20 ICED N#Cc1ccc([C@H](O)C(=O)NCC2(NC(=O)[C@@H](O)c3ccc(C#N)cc3)CCOCC2)cc1 780940377 ULNOWTACMPWKPM-SFTDATJTSA-N 448.479 0.979 30 20 ICED Cn1cnn(CC(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 781265054 VMHZMIUGSRDLIX-CQSZACIVSA-N 442.476 0.495 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 783203827 GVMUFEXEMFSNAP-UHFFFAOYSA-N 428.942 0.889 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 784866375 XWQGOUAENIAHGN-UHFFFAOYSA-N 438.456 0.395 30 20 ICED CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 787185905 WLYLQIQOVZZVFQ-UHFFFAOYSA-N 449.515 0.185 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 800621995 DRZKEOXOMCTRSU-CQSZACIVSA-N 427.548 0.931 30 20 ICED CS(=O)(=O)CC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 817039724 MKRMXMDSEYMUIL-UHFFFAOYSA-N 427.548 0.789 30 20 ICED COc1cccc(CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821735980 NVJPRBGORGJUFY-UHFFFAOYSA-N 431.470 0.936 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(OCC(N)=O)cc3)CC2)o1 914684119 YKHANQKFQCTXBI-UHFFFAOYSA-N 427.417 0.224 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN(C)C)CC1 914858557 HGGCZCOAQPCGQT-QGZVFWFLSA-N 449.577 0.516 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 916809803 PJPNQAYBNZBQMH-UHFFFAOYSA-N 441.512 0.759 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCC1 916866861 KCACJQALZDOYLC-GOSISDBHSA-N 446.529 0.631 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918430077 LOYZAJCFGRPEED-IQQDNESTSA-N 436.490 0.459 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1120572245 QRYNUFKYSCNQCQ-OAHLLOKOSA-N 429.502 0.575 30 20 ICED CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1292227142 ZHUMEQYFEBKHJZ-JKSUJKDBSA-N 426.543 0.776 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C1CCOCC1 1337997726 RLPZRPZGHSBJMK-HNNXBMFYSA-N 443.547 0.909 30 20 ICED NC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 1451507412 PSNDCWPFKJVSMZ-DLBZAZTESA-N 426.498 0.843 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1518916307 LYYMIKSONWRDPM-YJBOKZPZSA-N 448.549 0.948 30 20 ICED N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1521137636 RQJFRXVBRNPDDK-GOSISDBHSA-N 430.534 0.828 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccn(C)n1 1541674397 YMMBWOILHJHCQT-UHFFFAOYSA-N 434.508 0.791 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1541927513 LSRAANBOYSXBAI-SJKOYZFVSA-N 429.522 0.635 30 20 ICED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1=O 1555576647 UREWAXFVMWVJRP-QGZVFWFLSA-N 437.504 0.590 30 20 ICED COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1619043197 ZLYZOHDFZWFCIQ-FQEVSTJZSA-N 447.517 0.503 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1619911998 NOMOOVYMDMFMPV-MRXNPFEDSA-N 426.481 0.997 30 20 ICED COC(=O)[C@H](Cc1ccncc1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1637552453 JTJKRHMHAKHVNS-BBRMVZONSA-N 430.486 0.799 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696095496 XYSVNQZSSYAULS-PGRDOPGGSA-N 445.568 0.975 30 20 ICED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1707791487 PFSXFBOBVQQHOB-GOEBONIOSA-N 436.542 0.555 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1729345690 QIPUMQPECFYZSY-LJQANCHMSA-N 446.512 0.850 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1729599621 QTYDTUQAAKSHOD-VXKWHMMOSA-N 439.520 0.497 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1747194697 MAXDCJCFGAMAJI-FUHWJXTLSA-N 431.541 0.486 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1749559116 XBCSJVLOBRAXBC-IBGZPJMESA-N 440.504 0.917 30 20 ICED COCCN1C[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1749864358 NRJYEQLOGVHLLR-MSOLQXFVSA-N 425.493 0.488 30 20 ICED CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CC1 1770333423 UVTSFSFMSPIVPQ-UHFFFAOYSA-N 437.547 0.875 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1777899708 XPXGUSNHBJIYLP-JOCHJYFZSA-N 439.520 0.763 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778004529 JTKBMFBWMARVFF-IIBYNOLFSA-N 434.493 0.998 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778080321 BPBOAQMANJSDGF-YVHNNKAESA-N 428.580 0.621 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)c1 1778711728 BTNAPCLGQAVEQE-QFIPXVFZSA-N 433.424 0.778 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2)C1 1778876938 KHOJNBOXNYUBDC-MBOZVWFJSA-N 427.567 0.913 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1779076547 NWYTWFJXZXFJOR-RHSMWYFYSA-N 436.383 0.430 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779107329 QFIZWIDZILBKKK-UWDDZFTESA-N 449.460 0.776 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779225761 DOTMAHTZROSFAD-IVZQSRNASA-N 448.487 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1780736989 YKVUZGJXCNEQKB-IIBYNOLFSA-N 432.477 0.819 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO3)c(C#N)c1 1781172427 PQUBEYASWYRJNY-WAIKUNEKSA-N 442.516 0.806 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c(C#N)c1 1781175182 BCGJPRCNLHIEKI-OAQYLSRUSA-N 449.529 0.374 30 20 ICED CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1781461486 BSDNJUAHWKSIGZ-PWBPBPEKSA-N 433.553 0.822 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)c1 1782315861 DVGFKIZUBUBSMH-WZONZLPQSA-N 436.468 0.611 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782958350 BREGJHXBHHGRPR-PXNSSMCTSA-N 435.477 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3nc(C)cc3C)C[C@@H]21 1783533046 MNVDDLSEFCHOHK-YJTGKBQXSA-N 443.548 0.728 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1783766616 ZYFFYXGAELKNCP-QVKFZJNVSA-N 438.525 0.422 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1784373695 UJOWZMKLFFGVKC-KLHJMIIUSA-N 448.524 0.088 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1C#N 1785198005 QXFPBFZNJLFSHI-FDDCHVKYSA-N 440.500 0.925 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sc4nccnc4c3N)[C@H]2C1 1786951175 XAOPILRBHGYATJ-QPSCCSFWSA-N 443.529 0.905 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1788573257 ZGKPRWWQWYGHKE-CBVHJVASSA-N 427.505 0.896 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790271711 DIATWTPZMGUAOE-WDSOQIARSA-N 443.573 0.944 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1793351736 IPEHESJDTHTFBT-OPMZPASUSA-N 427.505 0.844 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549385 MWXCPWGCEJWVMS-UEILYKACSA-N 428.489 0.934 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n(C)n2)C3)c1 1798573816 QOTPYJUTEVFZBH-CCWDJLKJSA-N 425.445 0.523 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922504 RDMNDNNMCIYIRK-ZMMAXQRCSA-N 444.488 0.605 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)c(O)n1 1801019841 RIIYJUANJRIXBJ-HBCWATKFSA-N 449.529 0.927 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C(=O)C(=O)O)c1 1801330877 NEKPFQBEIHHJOD-MUJYYYPQSA-N 428.445 0.362 30 20 ICED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)cc1 1802582359 YRGXCMYSGIMPTR-FBPBVXOASA-N 433.512 0.925 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1803545522 SGLZDPFXEFPZCT-SYNHAJSKSA-N 425.489 0.734 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148791 ZVHOGJKSVXABDF-BJLQDIEVSA-N 440.548 0.990 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1808441837 ZNIYYWLRTOEZNB-SIKLNZKXSA-N 444.532 0.929 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810564218 BQOJACHTJCCDEM-ZRNYENFQSA-N 446.548 0.812 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815599828 SUWGLZPPKZPSLG-CQSZACIVSA-N 446.464 0.463 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCCNC3=O)n[nH]1 1818977258 ULJXTTXTILOFOV-CQSZACIVSA-N 439.432 0.134 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1819467686 ALJQDIOZSKDMRH-FZBSOZHNSA-N 449.489 0.832 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1820897226 GUVZHYVORZSYJD-OAHLLOKOSA-N 443.460 0.836 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3C)sc2C1 1823043092 RKHIXMJPJTXIPG-RSDJLKMVSA-N 431.518 0.534 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826928398 ISCNHWTXIINBPU-OPLLUPHASA-N 433.553 0.057 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948540 UVWIRZXAHCWZBU-PMACEKPBSA-N 446.592 0.898 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1829903844 DXZYWWKILLHNLC-NRFANRHFSA-N 425.445 0.300 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c2n1 1830056760 RPVROWGFANCSAT-QFIPXVFZSA-N 440.504 0.966 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243642 UBWDZWJFIBJSLY-HXOBKFHXSA-N 448.516 0.991 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)ccc1F 1830585797 GSUAGZMFDPUBBQ-CWZMJNCASA-N 431.464 0.467 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1831084089 WYDPCEADFKAKPW-RADWXHQJSA-N 439.553 0.585 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831872465 KEIYQGFDSXMFMK-XZCAYTCKSA-N 449.508 0.328 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993963 OLTWTWNLNWWIKZ-HRAATJIYSA-N 441.525 0.976 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784543 PKGKMZKYMLVLLN-INIZCTEOSA-N 448.524 0.954 30 20 ICED Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)no1 1833809460 HNXQWPBMBKVHRK-XQNSMLJCSA-N 445.568 0.964 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835268928 VBGMXBDPKYWLLZ-DOXZCSRISA-N 427.498 0.133 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835286817 JFLIICIGLNVYKM-WMZHIEFXSA-N 444.532 0.458 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835350960 RHZZBTGAPKBDGV-MRXNPFEDSA-N 439.520 0.348 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680074 DSRHXZBUFMKYFO-DYESRHJHSA-N 437.541 0.526 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1835680438 IQELNWOBDSZLGP-JOCHJYFZSA-N 430.505 0.744 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835845384 OSKIPFXNJGLUHL-IBGZPJMESA-N 433.553 0.403 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967418 HOSADSAIICNFAR-BOURKTIISA-N 449.512 0.201 30 20 ICED COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732657 YPGBWASBSIKFEF-OAQYLSRUSA-N 425.445 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1839173596 AURVUPXSUFOUMH-JOCHJYFZSA-N 447.488 0.670 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839175756 COQVAHXYULRNQR-JOCHJYFZSA-N 447.488 0.296 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)ccc1F 1839186839 RASLMHSRBPXLKH-JOCHJYFZSA-N 439.447 0.800 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453508 OLLDUOHBZAZSFF-ZHRRBRCNSA-N 428.489 0.461 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1840163222 FLLBOCNKSVBKOE-JTSKRJEESA-N 449.573 0.912 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840322338 YCZGABIZPJFRFX-OAQYLSRUSA-N 430.461 0.293 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c(Cl)c1 1845487846 RYCINNYGPPCBSV-UHFFFAOYSA-N 426.797 0.753 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1847814601 DGZMSOALKCWDGK-UGUYLWEFSA-N 438.525 0.548 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2cccc(C#N)c2)c(=O)[nH]c1=O 15644050 QDORNBMWTXBKEU-UHFFFAOYSA-N 442.476 0.799 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 29448266 BNTOFMSXXOHHCT-KRWDZBQOSA-N 443.533 0.579 30 20 ICED COc1ccc([C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)N2CCOCC2)cc1OC 409542739 IPEIUHCIQBHARY-IAGOWNOFSA-N 440.522 0.136 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccoc2CC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410179001 PORXPEVGRKOJJV-MSOLQXFVSA-N 442.516 0.926 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1N1CCNC1=O 427589300 XKPLIHCFYFWEBG-AWEZNQCLSA-N 448.487 0.862 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435828029 RKTRWASDEJHXAC-GDBMZVCRSA-N 433.472 0.628 30 20 ICED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 437423922 VGPHCAGFHPIFJT-GFCCVEGCSA-N 428.898 0.917 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1NS(C)(=O)=O 438764163 NOUNXRMZZJZARA-UHFFFAOYSA-N 425.511 0.699 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)c1C 439392812 NUPKBUXTLKACJM-UHFFFAOYSA-N 444.517 0.826 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 443063685 DURMZFQLKZNGRL-UHFFFAOYSA-N 439.490 0.496 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461821447 YXNGBERIWORIJH-PMPSAXMXSA-N 426.543 0.918 30 20 ICED Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c1 473014357 JXXJQQUCRGKEOK-CYBMUJFWSA-N 436.455 0.921 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3ccccn3)c2=O)n1 479368088 UOMNTTVOJRZJOK-UHFFFAOYSA-N 449.536 0.979 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 489323785 UHZMLHJGSVAVLV-SFDDROGDSA-N 449.558 0.774 30 20 ICED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 491140676 HIYCQEIJFRJWTR-UHFFFAOYSA-N 435.531 0.762 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 500025637 PDXMVMTWISBDBG-LJQANCHMSA-N 434.562 0.379 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 508998454 DDKROHVNMSDISB-AWEZNQCLSA-N 433.538 0.500 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)O1 513025763 JYCYIKKOWRJCDB-PILAGYSTSA-N 435.502 0.889 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 514658629 OCRANZKDNAIGET-UHFFFAOYSA-N 429.498 0.372 30 20 ICED CCc1nn(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(=O)c(C#N)c1CC 518382065 LIUGKZKZHLVZNM-LBPRGKRZSA-N 429.502 0.865 30 20 ICED COC(=O)c1cc(OC)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)s1 548697722 DZYQNKPZLMVDAT-UHFFFAOYSA-N 427.464 0.775 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)n1 551661726 HORBXIFKWLQUPX-CYBMUJFWSA-N 431.250 1.029 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCCOC)CC1 554608903 ZBNRVYNKKBVNSS-UHFFFAOYSA-N 428.493 0.744 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 555289762 AZOCWFDKRQVNGM-KBPBESRZSA-N 434.588 0.230 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)C1=O 557917999 MHMBVKADZKKGHT-LBPRGKRZSA-N 435.234 0.257 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 558560092 RCRXKECAJORSOJ-INIZCTEOSA-N 431.474 0.753 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 558764758 MKKZKQSRTOECGZ-UHFFFAOYSA-N 436.515 0.876 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)c(F)c1 561784673 ONDXOHGUZFOWLE-HOTGVXAUSA-N 430.484 0.689 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 571369000 YOHBPZYZJIAIJF-UHFFFAOYSA-N 435.485 1.229 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 577664127 DQVMZJFCKGFAOU-QLFBSQMISA-N 428.559 0.442 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)ccc1C 584152098 FGSVOFHQZQDCNG-UHFFFAOYSA-N 448.504 0.854 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC[C@H]1C 588871219 ODOTUMAAHYKREQ-GJYPPUQNSA-N 439.516 0.681 30 20 ICED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 609157952 SSAZTEKTRUEPOX-UHFFFAOYSA-N 439.490 0.496 30 20 ICED COc1ccc(NC(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 609338458 IRWJDUGQEQIKEI-UHFFFAOYSA-N 437.522 0.826 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 609564038 SRVYKFNTHGXCGT-UHFFFAOYSA-N 448.957 0.127 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1Cl 611538348 WNTCYYCHFJITMP-UHFFFAOYSA-N 444.944 0.742 30 20 ICED C[C@H](NC(=O)c1cccs1)C(=O)NCC#CCNC(=O)[C@H](C)NC(=O)c1cccs1 680339110 BJVHSWBWZOCSSO-KBPBESRZSA-N 446.554 0.982 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc(F)c2)c1=O 684535852 WXPZVQOPZKEIRQ-OAHLLOKOSA-N 443.500 0.636 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 725763192 FMRGCJBYUJBPNG-UHFFFAOYSA-N 435.509 0.652 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1=O 726044023 ZDUYPGFMDCXGCD-JTQLQIEISA-N 434.361 0.450 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3ccccn3)c2=O)cn1 726182684 YRNQENMIVZDLCU-UHFFFAOYSA-N 434.525 0.406 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 729010510 UTDAOYBJMWERET-UHFFFAOYSA-N 429.454 0.879 30 20 ICED CSC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732156407 MPTZFTYTINESSS-MREGKKADSA-N 434.518 0.536 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC1 732285749 GRSMNBYXMAWJKK-UHFFFAOYSA-N 428.514 0.541 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 732663040 KKGQXFSLKQOKPP-UHFFFAOYSA-N 449.627 0.475 30 20 ICED C[C@H](CC(=O)NCCNC(=O)c1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 743310946 FPWCLMGAGLULSX-CYBMUJFWSA-N 430.486 0.756 30 20 ICED CC(C)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 752334882 VYFVTECIHNBIAJ-CQSZACIVSA-N 444.477 0.797 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(CCOC)c1=O 753789665 UVVRTWFQCBVRTH-UHFFFAOYSA-N 427.486 0.185 30 20 ICED CC(C)N(CCCNC(=O)CON=C(N)c1ccc(Br)o1)S(C)(=O)=O 762770236 UEHFKVSJMZROEX-UHFFFAOYSA-N 439.332 0.855 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 766334178 QDEAOMOPGSRLDP-UHFFFAOYSA-N 442.501 0.423 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 771566107 GFGPJYGYXOFXSD-SFHVURJKSA-N 432.454 0.956 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 771892208 OKHOLTYRUWTWKV-UHFFFAOYSA-N 428.470 0.975 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1)c1cc[nH]n1 772658768 XJTRYGXUKMRNKX-DHMKHTPVSA-N 436.494 0.242 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)c1cc[nH]n1 781042689 NWBKNGLVVJQTOB-HNNXBMFYSA-N 432.506 0.409 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 783455329 QCPSVBUVVAUWQJ-UHFFFAOYSA-N 442.497 0.954 30 20 ICED O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(C(=O)NO)cc1 791273770 GXKTXBIHLCQUFG-UHFFFAOYSA-N 449.485 0.952 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1=O 799177136 ILHJKRQOTVGMQQ-HRAATJIYSA-N 429.477 0.212 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)[C@H]1CCCO1 809308000 IMIVIYDSKRKMCY-QHAWAJNXSA-N 439.560 0.739 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)n1 809614570 NKASLNOVEZKUKU-QGZVFWFLSA-N 435.488 0.949 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 812504762 DQXJJBAIHZPASG-UHFFFAOYSA-N 425.573 0.753 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 831243946 RPNSKQQOKXTFPY-GFCCVEGCSA-N 444.469 0.655 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 838172397 FFXODKKLTIBZHX-AWEZNQCLSA-N 431.514 0.219 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NCC(F)(F)F 887570974 PBMMQURLVFIAAY-SECBINFHSA-N 436.368 0.156 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915447688 KKFASZCRIWJFRR-MRVPVSSYSA-N 434.268 0.654 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 917021873 XIUCLFXLCSDOLA-KRWDZBQOSA-N 443.485 0.751 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Cl 1307599440 LTBCNLKUEFVVCU-DLBZAZTESA-N 426.926 0.316 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1CCOC 1321841206 QIFIFHBCILGNID-UHFFFAOYSA-N 436.559 0.402 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 1466174537 IIIWPFPZCRBBLT-CQSZACIVSA-N 435.506 0.575 30 20 ICED CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1545832241 KORLHSODUVXQIS-MRXNPFEDSA-N 432.573 0.956 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1611308713 SJZLEGJECJKFPH-ZIAGYGMSSA-N 429.568 0.743 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cccn1 1611707740 XIRZTOMQKPREPL-NVXWUHKLSA-N 447.569 0.352 30 20 ICED N#Cc1cn(CCC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c(=O)nc1O 1628649554 RCOBFTUFPLKRAZ-ZDUSSCGKSA-N 425.214 0.962 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1642410205 WJMXOVGUILZNSJ-MRXNPFEDSA-N 445.907 0.762 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1697026529 ZWDKSDCTDIPRGD-UHFFFAOYSA-N 434.522 0.893 30 20 ICED CCN(CCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)S(C)(=O)=O 1728494201 UZLYXJXLWPTDSQ-OAHLLOKOSA-N 447.569 0.635 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1768585613 UNRPSASDPCFRKQ-KRWDZBQOSA-N 434.522 0.350 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2)[C@H]1SC(=N)NC1=O 1778080658 KPFBBZOMFGUPMC-DIMHRPKISA-N 433.534 0.607 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1778971667 NJOKHKJWFIXFTP-MPAHJKEMSA-N 445.516 0.855 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1778973369 JDWWCJFAXDOLJA-IIBYNOLFSA-N 448.476 0.160 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122684 HLJBVELOSNFHLK-MGPUTAFESA-N 435.481 0.344 30 20 ICED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1779901663 YBBGHIGLSPKFRV-JOCHJYFZSA-N 437.456 0.879 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(N)=O)C3)c1 1780091301 ACVGELFBBAOROB-XMSQKQJNSA-N 428.489 0.960 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)cc1 1780596427 NLEMWAKJZUBFQV-XFGYDDDFSA-N 426.517 0.337 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)ccc1F 1781300647 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C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccccc34)[C@H]2C1 1787850898 OVXCNCWXQPMTOS-ULPAQXSLSA-N 437.500 0.786 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1788606261 FLTPXTCSPBCHDQ-AJGSBBHBSA-N 429.521 0.781 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccnn1 1788660776 LJWNTBBUDJYALT-BRLCOEBDSA-N 434.497 0.348 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1789891192 JNIXKZRRDUMRHW-BQFCYCMXSA-N 441.488 0.832 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)ccc1F 1789907162 ADNRSOBMPSLXSB-RUENVJTFSA-N 428.464 0.356 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907351 RRLIDHDIQZPCCH-ZVZYQTTQSA-N 437.493 0.264 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cc1 1795084062 WYJDTHSUDOYBTO-FAQVEIGNSA-N 428.489 0.595 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1 1795443373 IZHCVZMRQYHKIR-ALOBAPJISA-N 426.517 0.849 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796045829 QSCWRQYRSWWLCZ-XMTFNYHQSA-N 436.509 0.401 30 20 ICED 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=CC[C@@H]1C(=O)OC)C2 1797709798 MPWJJPLVHKHWRH-QSMSVPEVSA-N 434.533 0.905 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590046 BSVHNNJFFQWUSZ-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c1Cl 1798590493 DKSOMCRUERWWCC-CWPLJXCYSA-N 432.908 0.747 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237617 VQFXAHQYKBUYGV-WQDJSCAQSA-N 443.504 0.146 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1799746582 BIUJLGDSCWXBFH-IVWMJMPLSA-N 427.440 0.234 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C 1800211561 BSTDOAUGAYOISY-OREBXVKISA-N 432.521 0.629 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)ON=C(C)C 1800228738 OTOXIOICUYWBOA-FKNOUYQLSA-N 432.525 0.896 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800672783 FZOGZQYFFHABSQ-IITUFWFWSA-N 434.493 0.813 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800772975 CCUPZRVUDWXZMH-MZZPOWALSA-N 447.488 0.133 30 20 ICED COC1(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CN(C(=O)OC(C)(C)C)C1 1801989661 GLKQHYWVJGIVPE-MUJYYYPQSA-N 449.504 0.739 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806866317 SNDXJVGEOGEMGA-HBFSDRIKSA-N 430.461 0.886 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1808199286 SGFLYTBOLYDDLW-BQFCYCMXSA-N 431.493 0.887 30 20 ICED O=C(C/N=C/c1ccco1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886480 IUYPOAMGMJMTKR-YAZXTNQRSA-N 447.517 0.418 30 20 ICED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)c1 1820486807 VJTIFLPZNGGLEZ-LJQANCHMSA-N 440.504 0.874 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)CC3)c1 1821388970 BDXUFHKXFAGAOE-KEYYUXOJSA-N 441.513 0.972 30 20 ICED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)n1cnnn1 1822857408 ZGBBTMCVYWRWPL-UKRRQHHQSA-N 428.501 0.931 30 20 ICED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828513550 FKKBACMNWBPHIE-JOCHJYFZSA-N 427.505 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1829764593 OVEQLFMKNMNYAY-RMUOZIPVSA-N 432.477 0.220 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)on3)C2)C1 1829765407 VWLJTAZFIWJPJC-QJKPHDSHSA-N 446.504 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1829770331 JIOHVWVKSJXWHB-NGXITPROSA-N 432.452 0.149 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456531 LDGDVFFDMVUYAN-UZUQRXQVSA-N 442.516 0.459 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2)C(=O)O 1830464863 WAMQKYCQFQIRTO-XHAORJAKSA-N 441.484 0.978 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830466630 HYCLTXKMGATYCS-OAQYLSRUSA-N 433.892 0.236 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1831398691 HZXOJOBTJILYOD-WZONZLPQSA-N 440.500 0.751 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831426610 HVSMGXRFIHINGN-ZHRRBRCNSA-N 446.504 0.701 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cncn3)CC2)CC1 1833077027 NMVCWVOTQHHNSC-CHYADLBTSA-N 443.552 0.269 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1833338952 DIPLVSNHHFGURF-QFIPXVFZSA-N 441.488 0.804 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1833450182 CKGJNDLSDPCZMQ-UONOGXRCSA-N 434.628 0.204 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835104067 VEVWMWFGCBDGRU-XUZZJYLKSA-N 441.528 0.799 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835674990 IEZXQVLAVRBSSO-QHCPKHFHSA-N 449.596 0.457 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836317766 ADXRFWCPRBGSFB-NRFANRHFSA-N 435.452 0.800 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873127 WLXVAOSWBNRWPT-KKSFZXQISA-N 444.492 0.600 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837525741 YXDXUHJTSGOMEX-KRAMAXKOSA-N 449.508 0.177 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837650479 XQPOSMHJKAIAHX-OAQYLSRUSA-N 433.892 0.984 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3ccccn3)CCO2)C1 1837737958 KGPDVSOFGCDEIO-SVMVAKDDSA-N 430.505 0.377 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838095437 GAMUXTWABXOEOR-PQHGJFDPSA-N 447.492 0.384 30 20 ICED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)co1 1838134868 HSKQMUWQWSIGEE-OAQYLSRUSA-N 433.509 0.589 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1C 1838276287 RJPAUOQONRFQAZ-KKSFZXQISA-N 435.525 0.853 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)CC1 1838326052 URNDDJHHWSMGBK-UHFFFAOYSA-N 428.489 0.920 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(Cl)cc5nn[nH]c45)CCO3)C2)CC1 1838618154 DARZACYVLKXNTJ-HXUWFJFHSA-N 444.879 0.985 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838747036 WBIATWYJPDTUFU-JOCHJYFZSA-N 438.440 0.030 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361305 BMBPVBTXHVZLPT-OAQYLSRUSA-N 449.529 0.257 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650952 CSLHNUTVNKALNU-HTAPYJJXSA-N 448.520 0.144 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839847017 POOQHXIRSOIVBL-AUUYWEPGSA-N 441.575 0.515 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1839889149 FKTAZQJAIWIFEG-KSSFIOAISA-N 432.468 0.362 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497711 QWVRXXQNKIGHIW-IERDGZPVSA-N 434.493 0.587 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840608546 GMOITQYLRZLIFS-VAWZGJIGSA-N 441.484 0.529 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1C 1840756132 JQXOMQBKOHOSIO-JOCHJYFZSA-N 446.456 0.170 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840842002 HYNKJBBMXRHCTK-QFIPXVFZSA-N 426.473 0.539 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299170 FZYMRCZAXVFQQN-UXPNVYJASA-N 430.527 0.047 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1847069741 SGJYZGUHCKULIV-GOSISDBHSA-N 448.564 0.829 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 10452805 WWCZSVRKTZWXCG-QZTJIDSGSA-N 444.513 0.566 30 20 ICED Cn1c(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c(C#N)c(=O)n(C)c1=O 108038953 MGGJBQRIGRRDFX-UHFFFAOYSA-N 447.293 0.968 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 409518509 DKMPEZLTVQMQGD-UHFFFAOYSA-N 426.539 0.928 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCO1 409528327 KJPHIKIKUKYBLE-AWEZNQCLSA-N 434.927 0.115 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 430373491 IHXKXBBZNLKAFR-BXWFABGCSA-N 447.536 0.589 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 430386236 KPFSGJXYNVRBAQ-BPUTZDHNSA-N 430.465 0.467 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436223651 XYXQVCTZIUXMND-KRWDZBQOSA-N 425.489 0.615 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCOC2)c1=O 441950153 BYBSEJJDTWJBLQ-HNNXBMFYSA-N 427.526 0.983 30 20 ICED CC(=O)Nc1cccc(OCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460612093 HFAPPGAHSPOQQB-UHFFFAOYSA-N 447.455 1.540 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(Cc2ccon2)c1=O 480934299 KLKYUVMIXHJDFJ-UHFFFAOYSA-N 433.453 0.216 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccon1 480950141 HTQGBCLNKKMTEH-CYBMUJFWSA-N 444.538 0.970 30 20 ICED C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 481749929 OLKPXTPCEDREMO-GOSISDBHSA-N 435.502 0.819 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN4C(=O)N(CC(C)C)C[C@H]4C3)CC2)o1 488783752 PKEMJGBMRPSDNA-QGZVFWFLSA-N 429.525 0.581 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)n1 508306746 BIKKZEWZINWQII-UHFFFAOYSA-N 442.432 0.877 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 510177601 QXCOFSYMMJADJV-CQSZACIVSA-N 428.536 0.327 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 523990028 DWVWEXNAUCROBM-UHFFFAOYSA-N 441.513 0.749 30 20 ICED N#Cc1ncn(CCNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n1 552673767 GZSBWZNNGXHVCZ-UHFFFAOYSA-N 427.284 0.397 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 553038442 CWTQBCNSYFLMEE-GDBMZVCRSA-N 442.563 0.355 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)C1 555277606 LMQLZAYIOSQKBU-CQSZACIVSA-N 436.490 0.571 30 20 ICED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C 564524595 IGKOVXCAZBEOHE-UHFFFAOYSA-N 430.534 0.844 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 581965717 UNJJQMRABZQFMM-UXHICEINSA-N 441.532 0.739 30 20 ICED COCCN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868720 RGGHDRDCXNQYTP-FQEVSTJZSA-N 435.484 0.846 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)n2)c(F)c1 589430586 TVXOBPHSPCXCGU-ALKREAHSSA-N 440.435 0.764 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603264350 ZEIZDUWDGRAXNT-UHFFFAOYSA-N 427.486 0.783 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729673190 HDQYOXBXRAKGGC-UHFFFAOYSA-N 437.518 0.121 30 20 ICED NC(=O)c1ccccc1N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 732563236 KKAXNIJEXFVETH-ZDUSSCGKSA-N 427.486 0.219 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034099 CZRXADLXPONRAQ-GJZGRUSLSA-N 435.502 0.819 30 20 ICED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 740848129 NFZJZOVWWJCFSL-UONOGXRCSA-N 427.548 0.977 30 20 ICED CC(C)[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 742669340 IMPHODUNXBEGAQ-SJLPKXTDSA-N 435.594 0.892 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 745353242 HBUMEKKGERWVNB-DYVFJYSZSA-N 445.501 0.924 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNc3ccc(C(N)=O)nn3)CC2)cc1 756835009 IJASEFJZZGMKHS-UHFFFAOYSA-N 431.478 0.787 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)cn1C 766649352 NZXHMXJBEVWTDA-UHFFFAOYSA-N 446.489 0.103 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1cc[nH]n1 770834973 QTVXOLXXFDCMMO-UHFFFAOYSA-N 442.476 0.644 30 20 ICED CN1CC=C(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 776070711 ZCKBCGXTWVFEDD-NKFKGCMQSA-N 433.534 0.816 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(=O)N(C)C 779855947 DIQLDTJTIWPDOM-UHFFFAOYSA-N 444.944 0.765 30 20 ICED C[C@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C1=O 790354077 LZEJOPIQTIRJGD-VQIMIIECSA-N 433.490 0.470 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 791345857 SPCVINUFYSBQEJ-QGZVFWFLSA-N 435.912 0.388 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(=O)N(C)C 794612301 PKYYKOOAPYAWFB-UHFFFAOYSA-N 446.479 0.741 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3c(C)cnn3C)c2=O)c1 795193453 FFPCDHNURRLINI-UHFFFAOYSA-N 429.505 0.728 30 20 ICED C#CCN=c1nc(N2CCO[C@@]3(CCO[C@H]3C)C2)[nH]c(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 804679850 KIPONNRAFWVLML-NEAWWFDSSA-N 444.536 0.107 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 808174165 DKGLMXRFNFCMES-SFHVURJKSA-N 431.456 0.665 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)c(C(F)F)n1 812278535 GVSCHNKOWBHENZ-UHFFFAOYSA-N 449.483 0.719 30 20 ICED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccccc1 825369604 BIPNHUZQRQXILH-AWEZNQCLSA-N 438.444 0.312 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)nc1 915777147 ATBSMGKLHWMPNQ-UHFFFAOYSA-N 428.474 0.660 30 20 ICED N#C[C@@H](C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(=O)NC1CC1 917427393 VUWYCLAQDGLNFX-HNNXBMFYSA-N 446.485 0.757 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)CC2=O)cc1 1319434400 VFIORDVDMCGOQQ-GOEBONIOSA-N 433.511 0.924 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1502730298 ZDGFVPNXBLHJSH-WAOWUJCRSA-N 432.525 0.917 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1618633077 KPVFMNRDZXEDAY-QGZVFWFLSA-N 445.549 0.671 30 20 ICED CC[C@@H](CN1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1687658265 MNGDVHYXMOUPAP-SFHVURJKSA-N 435.550 0.685 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCOC2)C1 1712707429 WDEQJMTWYFEGAV-IAGOWNOFSA-N 438.554 0.778 30 20 ICED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(N3CCOCC3)n2)C1 1778267932 HEPXMRJQCDCWDQ-XMSQKQJNSA-N 427.505 0.959 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016014 JILKVBPVJOWGBK-WWOVWOHCSA-N 429.521 0.934 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1779104810 FJGQEGAOVZREBK-DXLWNWQMSA-N 444.488 0.758 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779135818 HJDGXJKCWYQYNK-MHRHTVJOSA-N 427.461 0.821 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779219298 FJCVUVFUXMUJOX-AOMKIAJQSA-N 440.479 0.998 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969661 KHNFNCMSRWSYQF-HXUWFJFHSA-N 433.896 0.926 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192902 YDNHMYBMHPANNY-QFIPXVFZSA-N 438.488 0.746 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782421254 QKKZJRLSTVKFEV-SZNDQCEHSA-N 444.513 0.608 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782667755 FMGXAZLNBCICCI-CEXJFXJFSA-N 444.532 0.603 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783600284 JVNNSPYKEGJWTE-VLIAUNLRSA-N 438.481 0.186 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1784479101 PKNCGMVHWMYEOO-SZNDQCEHSA-N 434.460 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784873885 VWEGSRCRDYSLES-WZTLGTBRSA-N 434.459 0.561 30 20 ICED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197915 GUHMOWZFXCCHFJ-GVARAGBVSA-N 426.395 0.946 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787497436 GWFWYMBTBOFXMX-IQWQSGHPSA-N 434.562 0.962 30 20 ICED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788627994 NZMIHXQFVFAOBL-NIXLGWEQSA-N 443.552 0.728 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788631587 OXRFEAWUFKNTIN-JYJNAYRXSA-N 445.476 0.610 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652302 BHIGUKHENQRFLP-MAXOSKQPSA-N 438.525 0.410 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657629 FLOPHQGAAHOLRB-IQHHBFBMSA-N 427.498 0.158 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788772017 YKYRAXMAYFXEFS-TUFLPTIASA-N 427.501 0.169 30 20 ICED 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)OC)C1)C2 1792490076 JVTGTHNWEKJSSD-OWBBKWLQSA-N 447.532 0.414 30 20 ICED 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OYJFLLPSFQSVRB-NSHDSACASA-N 427.552 0.382 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820183984 IHTAURXILTZDQM-UDMBRALOSA-N 449.533 0.065 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)cc1 1829635953 SCZMBVFIIAGFLS-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1829764892 BSLWTTVCXFWQFO-QGHLFXPHSA-N 430.505 0.262 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1830456696 QXWVSYLMXTZWDE-XPJNUEMQSA-N 427.501 0.718 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830851165 JPLRARRQJKRDIF-CVDCTZTESA-N 442.516 0.955 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1831221273 ITOXRNPOBVQXNN-QFIPXVFZSA-N 426.448 0.957 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1831274279 BDCQDCBFUXEBCO-OAQYLSRUSA-N 437.613 0.630 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831393384 KYWGHDZHWQLNSP-ZHRRBRCNSA-N 430.505 0.397 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1831405649 GCOFUPGNDCAQSF-NRFANRHFSA-N 438.500 0.920 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1831405768 JHRPMQAKSPMDRV-MSOLQXFVSA-N 438.443 0.739 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1831421979 XRQZSZQIOHLFSL-VGSWGCGISA-N 432.521 0.809 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1832077072 PWFLXLGLEMZNCO-HXUWFJFHSA-N 440.374 0.191 30 20 ICED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1832664014 JNADLEWMMORBGP-FFCJBUTOSA-N 429.429 0.631 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1)C(F)(F)F 1833145493 JOCIFSOSJIZPGK-UHFFFAOYSA-N 433.475 0.948 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427701 PQCBHRUOLCLRRQ-INIZCTEOSA-N 438.594 0.299 30 20 ICED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1834407052 WHZVXXCMQIWVCV-HSZRJFAPSA-N 444.532 0.672 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1835099162 AUHRIEIYRGXGAE-DEOSSOPVSA-N 445.479 0.851 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)s1 1835345665 SXLIBUVJZFHLSW-NRFANRHFSA-N 447.513 0.837 30 20 ICED CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)co1 1835678129 ZHCHBBXJQWGJFW-OAQYLSRUSA-N 433.509 0.589 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835702419 CRYRBCUPCJOYDG-OFNKIYASSA-N 435.484 0.723 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)cc1 1835702442 DJMJKFXAWGHDLT-NZQKXSOJSA-N 435.484 0.723 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3cccc3C=O)CCO2)C1 1835954864 CYRWYJLRRJSFOF-HFJQGTKSSA-N 447.532 0.891 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593891 HSGQOBOLSHHGNL-AOMKIAJQSA-N 447.557 0.807 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837118075 TUBDTIGQCBVZFU-GOSISDBHSA-N 432.521 0.777 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296770 KKNOALLNUPAYMQ-GKCIPKSASA-N 435.502 0.496 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837560432 QMBXHELPOCTNNG-RZZUAFPKSA-N 446.548 0.887 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1839364027 IHYIADSJKZUKGF-JOCHJYFZSA-N 438.488 0.504 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839681200 HYABXLKRUDMCNX-GQIGUUNPSA-N 428.482 0.596 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)ccn3)C2)C1 1840042238 HZQWOMFTFHZEFG-SFHVURJKSA-N 441.362 0.258 30 20 ICED Cc1cc(C)n2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2n1 1840044565 LXPTWXIZACUBHA-QFIPXVFZSA-N 440.456 0.109 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840161994 IPWJXLNBBWNSLM-QRWLVFNGSA-N 431.518 0.656 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840162301 RZDREBAIXBKMSV-BZNIZROVSA-N 436.456 0.827 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840171399 DRYYRXJAXCHYJA-KKSFZXQISA-N 441.525 0.295 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840262837 KOTLUAYCCQHKFU-JTSKRJEESA-N 431.489 0.136 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)C(C)C)CCO3)C2)c1 1840565998 QMUWWVRCADXLKT-HSZRJFAPSA-N 444.532 0.977 30 20 ICED CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819801 FVIAOCHXKNXAHN-PFSBYRDKSA-N 429.473 0.944 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840841461 ALYFUUNNQWCCSY-JOCHJYFZSA-N 448.541 0.502 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1841600048 CKHINCADNQBAHE-KURKYZTESA-N 449.548 0.846 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845139236 SBVZFUICVJAVSD-LJQANCHMSA-N 428.489 0.464 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(OC)cc1C#N 1847786178 LUHKWFIODMVBKD-CCKFTAQKSA-N 448.545 0.639 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 410116525 CCRGQDKQDMWIIE-HNNXBMFYSA-N 442.563 0.574 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@@](=O)CC[C@H]2C)cc1 433551669 VYPSLBUOSYENLV-ASHKIFAZSA-N 427.548 0.801 30 20 ICED C[C@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 440336952 XSSQAWQYIWBQMX-GFCCVEGCSA-N 433.465 1.246 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)cc1 443670470 UXTQDDXSZIPMCB-UHFFFAOYSA-N 445.566 0.643 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 444508072 QYKKPJMRNKJOBC-UHFFFAOYSA-N 431.460 1.124 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n(C)n1 464118486 GRNXQERQGULHNW-MRXNPFEDSA-N 430.490 0.456 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 467291604 XHGYPAVCNNOVDU-UHFFFAOYSA-N 431.884 0.502 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 471700105 HICQQHGKDLRZQI-UHFFFAOYSA-N 425.449 0.977 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 476418321 YDNYGGOACZCCML-AWEZNQCLSA-N 442.501 0.068 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1N1CCN(C)CC1 481170790 KITBJAZDGZPYQD-MRXNPFEDSA-N 442.545 0.688 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2)c1=O 501772817 WUMCFNKOPNIKMP-UHFFFAOYSA-N 441.509 0.653 30 20 ICED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCN1CCNC(=O)C1 513591484 GPAVNZXNTUCYIO-UHFFFAOYSA-N 435.484 0.932 30 20 ICED CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CC(=O)N(C)C1=O 513932565 XYTUOPUDZYAVGH-HOTGVXAUSA-N 425.445 0.759 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 539647819 IVRYZLWJXRLBSZ-AWEZNQCLSA-N 433.484 0.996 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCCO2)c1=O 550836631 OZOJZQJPFZXHLV-QGZVFWFLSA-N 441.557 0.821 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4ccn(C)c(=O)c4c3)CC2)c1C#N 551740599 JTVGWKZFNJGQDP-UHFFFAOYSA-N 433.472 0.739 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)CCO1 554971969 FLHSTCCHEBKSNH-OAHLLOKOSA-N 429.502 0.773 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1=O 560134255 AOOSWXMOHGEITF-UHFFFAOYSA-N 447.391 0.702 30 20 ICED CCOC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 579095234 JJDXTDYFOSMYHM-GOSISDBHSA-N 426.473 0.972 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C(=O)N1c1cnn(C)c1 589034840 OCPDRIIAYOCITC-KPFFTGBYSA-N 449.515 0.267 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(N)=O 608911616 LUCAXQQGTVZEGB-UHFFFAOYSA-N 442.541 0.058 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608991460 GISQAAJFCKMHBL-UHFFFAOYSA-N 427.509 0.300 30 20 ICED Cc1cc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1-n1cnnn1 609005075 JLQPQANGSOVDSR-UHFFFAOYSA-N 431.460 0.961 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 679752775 FSJIYKTYOYHZSD-UHFFFAOYSA-N 447.520 0.843 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc3ccccc3)cnc21 727233427 PSOLIIPVSXHGKZ-LBPRGKRZSA-N 443.261 0.918 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2cccc(C)c2)CC1 728608644 MAZOMZFOIDMYTP-UHFFFAOYSA-N 426.546 0.826 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc1 729012779 VCAPXGJBFLYOLP-UHFFFAOYSA-N 443.481 0.761 30 20 ICED CS(=O)(=O)c1ccc(OCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 729957801 VOUACQYOYNWQQJ-UHFFFAOYSA-N 437.499 0.324 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)cn1 732564718 PGMMQVUYEDVYCB-UHFFFAOYSA-N 436.559 0.289 30 20 ICED COC[C@H](C)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 733716528 RMGGVIIJDZJYKC-JSGCOSHPSA-N 431.536 0.621 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCN(C(N)=O)C1 744990915 SEHLMYPGQOWGEP-CQSZACIVSA-N 441.444 0.700 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c1 749502713 VUKMWKZRPWLOSY-LJQANCHMSA-N 447.557 0.921 30 20 ICED Cc1ccn(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(=O)c1C#N 758181401 MXUPNGORFHTFKE-UHFFFAOYSA-N 430.515 0.997 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCS(C)(=O)=O)c2=O)c1 763458312 PUJDXCPEUISMME-UHFFFAOYSA-N 441.534 0.679 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnnn2CC2CC2)C1=O 769756905 ANZBRCMJTBTICK-AWEZNQCLSA-N 442.505 0.450 30 20 ICED C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCN1c1nccn2cnnc12 771170833 LLLAYTGNHPSRPL-IVZQSRNASA-N 445.487 0.931 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 775913832 PVWDVHWDXHBSRG-BBATYDOGSA-N 427.479 0.951 30 20 ICED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777897329 HPJMIRZQWOLDJV-GFCCVEGCSA-N 443.459 0.362 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3COCCN3CC(F)(F)F)CC2)o1 801345935 QSGIRICTTRKBKC-CQSZACIVSA-N 445.398 0.310 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 811832192 XQLQTBKMGRAJBC-ZDUSSCGKSA-N 429.454 0.881 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)nc1 915775410 JLPCFWQQHKEITN-UHFFFAOYSA-N 428.474 0.561 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1298842005 KQDUZDHGIGDIBG-QGZVFWFLSA-N 448.553 0.523 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@@H]2CCS(=O)(=O)C2)C1=O 1317818386 WNNKWVPYPQAHNC-CABCVRRESA-N 438.531 0.900 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)CC1 1319811900 NWEAMBHRFHTGRG-MOPGFXCFSA-N 432.546 0.892 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1503710155 XVAVECQTYMMELZ-OAHLLOKOSA-N 445.549 0.671 30 20 ICED COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1504110028 NPVWWBJMDYNFBF-BLLLJJGKSA-N 438.485 0.813 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1=O 1519233015 OMYCUQXMGITOFP-SFHVURJKSA-N 428.493 0.773 30 20 ICED COc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1711639294 WKKLEJFUUVJUFY-GOEBONIOSA-N 434.522 0.982 30 20 ICED CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1723019273 KBMFVTDPFIYMEY-UHFFFAOYSA-N 446.533 0.878 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1731011731 IVIGDECROAPGKB-IIYDPXPESA-N 425.490 0.095 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1778971835 NIVPWRWQXGBAJH-WAIKUNEKSA-N 441.484 0.838 30 20 ICED N[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779016895 SWTXPERFVGRUJX-RJXMGOQGSA-N 428.537 0.773 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779201328 JWGLAVHDTMUMKI-IIHIVLJSSA-N 425.445 0.562 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779217992 ADSGWFACAYEBKB-XJVJGPOFSA-N 434.497 0.273 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979203 NFYCSQQAJKKDDF-QRQCRPRQSA-N 426.473 0.761 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)n4)CCO3)C2)c1 1781964018 UTYQMSCWTDGOKR-FQEVSTJZSA-N 427.392 0.656 30 20 ICED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782064390 UXDFWQJGLJUKNS-NFBKMPQASA-N 436.549 0.983 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]3C2)c1 1784601414 XUEOPICJDXGDGE-UVDFWXMISA-N 428.489 0.672 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1)C(F)(F)F 1786729636 SZIGCBAEPAFOLG-ULQDDVLXSA-N 432.487 0.722 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1788573797 NBWJKOQDTKZPJI-LWYYNNOASA-N 448.608 0.319 30 20 ICED Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1789036812 ZARVTQCXSKOOLW-BBHCWFJASA-N 431.493 0.907 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nnc5ccccc54)C[C@@H]32)c1 1789343207 SHCIISGTXYQKPB-FTRWYGJKSA-N 433.472 0.925 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c1 1790224464 IBUSKNQGYXXDID-QRFRQXIXSA-N 430.480 0.623 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C[C@@H]21 1790794548 RAHUZIPEOODUEL-VGWMRTNUSA-N 425.551 0.856 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1792497176 IYKMLFDQZIYOQA-ALXJQNPVSA-N 432.521 0.839 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1C)C2 1793340694 NVEVXAYWVINRHY-JDNQWYDXSA-N 425.529 0.671 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794007891 AKEBJLIXLRDKCC-BJWYYQGGSA-N 428.876 0.882 30 20 ICED COc1ccc(OC)c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1795370646 HFICACDOBUIOQI-MFKICJERSA-N 430.457 0.314 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nccc2nc[nH]c12 1796237915 UVTSWQPCQQALPH-BVZDTZQISA-N 425.493 0.633 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1797740668 ZZTMGKLPYMARJM-IRYORZRNSA-N 442.516 0.888 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800950070 DEUCKPXPXMOIJY-PJVZLEMVSA-N 446.548 0.613 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1802023846 YLUFCRRMBSBCCV-LJCCNALRSA-N 442.516 0.625 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105312 LFPOHDPKCHMJLD-OQMKEHIESA-N 441.575 0.009 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1803608409 SJCNLOMZZZPEMN-HOJAQTOUSA-N 438.594 0.328 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804171402 VVTLZCOYTOGBBT-BEFAXECRSA-N 431.518 0.558 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 1814518321 SOSSXRKAXOCMRJ-PLDWVVQRSA-N 428.493 0.786 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815768511 UYQHIHGNOXYICE-ZIAGYGMSSA-N 444.496 0.282 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831103298 CDHSMOIBBRNCGV-AUSIDOKSSA-N 437.581 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3F)C2)C1 1831398402 AQGKFVKALPPNEC-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1832453346 VWBOPRZEVFMAQO-FQEVSTJZSA-N 438.550 0.519 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749203 FPPDYSAISLHHNP-HRAATJIYSA-N 446.529 0.467 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)c3ccco3)CC2)CC1 1833074273 FDXHYJMFJLOZEQ-QJKPHDSHSA-N 444.532 0.743 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097401 YVPABHDRMHWJOP-OFNKIYASSA-N 427.501 0.409 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100102 ADZGDXSHWVXTGB-JPYJTQIMSA-N 442.516 0.202 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835364381 SOKMKAHPEMSHJN-QFIPXVFZSA-N 431.489 0.972 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835904279 MMNXIYGVYXMJBH-NZQKXSOJSA-N 428.533 0.945 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835910533 VIUCXNAYLWTVBW-XOUMOGSDSA-N 435.546 0.941 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836672717 XYDKQMHLLBRFPM-REWPJTCUSA-N 434.581 0.459 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193430 KXJXOHVMNYIDPS-VFNWGFHPSA-N 427.461 0.066 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839223022 IXBGCTNINGPICH-FOIQADDNSA-N 426.514 0.158 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363801 UXJPYGFOAPDBIV-ZHRRBRCNSA-N 428.489 0.347 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2C1 1839621792 RELVDOSQHZCBAO-QFIPXVFZSA-N 442.520 0.092 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649488 TXEDJWKAXLITIL-IIBYNOLFSA-N 434.493 0.162 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1839807887 OQBFFZJORFYIPH-OAQYLSRUSA-N 427.461 0.070 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810564 DGLZFLQLWJHGBU-VGSWGCGISA-N 435.521 0.723 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1)C(F)(F)F 1839892860 INVCBXIAHAPXQM-KDOFPFPSSA-N 443.426 0.852 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1840043191 JEYDSEGMWBHLKV-XMMPIXPASA-N 449.463 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1841054370 QPAWHRZSEVRHFI-FPLPWBNLSA-N 446.529 0.302 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)n1 1844259448 RHHODOGRQHHQCL-OEAKJJBVSA-N 428.537 0.962 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1 10453635 KEXPTWSSBPVYAL-UHFFFAOYSA-N 428.470 0.569 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 24678265 SUUMDXLEDYNGSG-OAHLLOKOSA-N 428.536 0.422 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 25856196 SWRBQNHATVKWHH-GJZGRUSLSA-N 447.517 0.108 30 20 ICED N#Cc1cccc(NC(=O)CN(CCO)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 28269152 VCUXIJPWNBQOTK-UHFFFAOYSA-N 434.456 0.476 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3CC)c(=O)n2C2CCC2)CC1 430965929 LYWNXFMIXNFJSS-UHFFFAOYSA-N 440.573 0.518 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1OCC(F)(F)F 442254190 CTIUDJBQNUJWOA-ZDUSSCGKSA-N 428.367 0.537 30 20 ICED N#CCCNS(=O)(=O)c1ccc(-c2nc(Cn3nc4ccccn4c3=O)no2)cc1 445655118 GLSVGXSAXNEQIK-UHFFFAOYSA-N 425.430 0.786 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 465483530 NOUOIGGFFVRHLW-CQSZACIVSA-N 429.506 0.812 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)o2)c1=O 471199816 SBLLBVDKKBGTPG-UHFFFAOYSA-N 442.541 0.203 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)c1C#N 472108555 QBCBRJUVIDUTCE-FQEVSTJZSA-N 433.582 0.640 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1C#N 472756775 WGWLMIOGIKEFGC-UHFFFAOYSA-N 437.416 0.453 30 20 ICED N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 480607828 ZWCWZQHTJBBFFU-MRXNPFEDSA-N 432.955 0.497 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1=O 481150684 AGNKPCQHIAVESK-INIZCTEOSA-N 444.517 0.939 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482190135 AKWMGKOFYHJPOK-GFCCVEGCSA-N 428.474 0.907 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 486073601 MRTQVIIOSVFWSC-ABSDTBQOSA-N 433.578 0.709 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)ccc2OC(F)F)c(=O)n1C 496759241 YVMDYVTXJFOFST-UHFFFAOYSA-N 439.440 0.322 30 20 ICED CCCN(C(=O)Cn1cnc(C#N)c1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 499523976 YZFOQHMGJOSITE-UHFFFAOYSA-N 432.444 0.962 30 20 ICED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508338635 GGPYPKPUCLUNPQ-UHFFFAOYSA-N 445.505 0.388 30 20 ICED COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003979 YJNXHOUXDQZGGW-MPBGBICISA-N 426.454 0.970 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)c1 515733272 CMNKRYKXXUZQKB-MRXNPFEDSA-N 430.548 0.817 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 523053298 HYKVKROXLHHLFM-UHFFFAOYSA-N 442.501 0.505 30 20 ICED COc1ccc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] 532311785 GQVGBOHVZIIFDZ-CYBMUJFWSA-N 439.432 0.732 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(OC)c(F)c2)c1=O 533120284 LHOSLCHTOWMRQV-UHFFFAOYSA-N 427.461 0.512 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)cc1 558231566 LNOSAUNASOGVIG-FCHUYYIVSA-N 439.560 0.962 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)CC2)n1 565445164 WNQMZTMBEOFSIX-VQTJNVASSA-N 440.548 0.486 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N(CCC#N)CCOC 615256906 WOXGYHHKIUIYIH-UHFFFAOYSA-N 436.534 0.995 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 731888570 WRKXEWUJNAYEOC-BMRADRMJSA-N 426.882 0.847 30 20 ICED CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 733671944 ZYICYAHYNXKUBQ-JOJWKMGHSA-N 435.550 0.848 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCNS(C)(=O)=O)C1=O 735225222 HOHHLRWDRPNFKC-CQSZACIVSA-N 442.519 0.422 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)NC2(CCCC2)C1=O 741833262 UBMRAOAYRUGWPU-UHFFFAOYSA-N 448.501 0.913 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 761030234 FIFUROBMSNXNLX-KRWDZBQOSA-N 433.534 0.416 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCS1(=O)=O 766355485 SYJTZAUUCPCZNG-AWEZNQCLSA-N 427.548 0.979 30 20 ICED COc1ccc(NC(=O)COC(=O)C2(C#N)CCOCC2)cc1S(=O)(=O)N(C)C 767396262 CITRLXAJSPJKLO-UHFFFAOYSA-N 425.463 0.748 30 20 ICED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cn1cccn1 771893332 ZMSZDGADRARMPB-UHFFFAOYSA-N 446.489 0.040 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 773635381 CUEWMCZBJCMOHQ-HRCADAONSA-N 439.534 0.376 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@H]1CCCO1 773793620 KLRDYFOHWLVTOW-JKSUJKDBSA-N 435.502 0.715 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 774264164 SZNMYGDVXVYFGP-QGEMAQJBSA-N 444.391 0.895 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CCCC#N)cc2)C[C@@H](C)O1 776123080 WWUAGASPNAOABB-OKILXGFUSA-N 429.520 0.848 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(Br)nn3C)nc2)CC1 782151593 HQBHWIDKMHLFCU-UHFFFAOYSA-N 442.343 0.960 30 20 ICED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782244919 LHOSALZWDDGYTI-UHFFFAOYSA-N 444.509 0.836 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Br)nn2C)c1=O 782793797 VAPQZHQYJGMOAJ-UHFFFAOYSA-N 446.330 0.164 30 20 ICED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785081658 OIVQUDRIUVWXAW-RNWAHURQSA-N 449.533 0.565 30 20 ICED CC(=O)N[C@](C)(C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797514748 HXCWHSVJUVNTCA-YJYMSZOUSA-N 435.502 0.936 30 20 ICED C[C@H](C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798845576 MZFJTXKCXDTPLG-CQSZACIVSA-N 446.489 0.468 30 20 ICED C#CCC[C@@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 799082917 PUYYHTFLTASZEL-MRXNPFEDSA-N 448.545 0.417 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 813563099 GRZXIKQDFLFUMY-CZHJNASKSA-N 441.517 0.877 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1 813978908 KWMQVCPDTIPSEP-UHFFFAOYSA-N 427.486 0.887 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 857834133 PKCBKVKLCLOMEY-CQSZACIVSA-N 449.485 0.450 30 20 ICED N#C[C@@H](C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1nc(O)c2ccccc2n1 917131670 YAINEICOSLRIJV-INIZCTEOSA-N 436.472 0.278 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)COc4cccc(C#N)c4)CC3)ncnc21 919417129 LFRVNYHSQGZGHM-UHFFFAOYSA-N 435.444 0.506 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315164100 OGDBGVRMFWYJSM-ZBFHGGJFSA-N 426.543 0.776 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(F)c1F 1319412043 XQWZCGKUOSTKLY-UHFFFAOYSA-N 429.452 0.938 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C 1321234902 BULCTZHNOWXAJT-UHFFFAOYSA-N 437.525 0.503 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CCN(C)CC1 1324025766 VMIVQTWIXDBULX-UHFFFAOYSA-N 436.488 0.097 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1360715117 UMCLFNNNRUYVAO-RHSMWYFYSA-N 448.549 0.893 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1451623157 WCUHTDRYAHQNTD-CJNGLKHVSA-N 439.559 0.929 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1503108170 FHPIYMRPKJYAAP-MRXNPFEDSA-N 425.559 0.319 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1513915953 RGVKYJJJTHQKFY-GOSISDBHSA-N 438.536 0.929 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1515989427 ARTLENAHEHCLDX-QFIPXVFZSA-N 439.520 0.226 30 20 ICED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1544614344 MWJCFGZPEKZSLE-UHFFFAOYSA-N 445.501 0.306 30 20 ICED Cc1nsc(N2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)c1C#N 1569887853 KWNBLTVXLWCYHG-UHFFFAOYSA-N 438.510 0.870 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1589395589 XKKUVQFNZJFYBF-LBPRGKRZSA-N 427.303 0.609 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1618711075 VVRNJWGCRRFWHC-QZTJIDSGSA-N 444.492 0.341 30 20 ICED CNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1622590091 NGELOAUNCIVGCB-UHFFFAOYSA-N 433.303 0.902 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690232064 YBKFLAQPIAVZCE-GFCCVEGCSA-N 432.344 0.932 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740739163 PIJDEMPIQHIGQZ-VXGBXAGGSA-N 447.359 0.608 30 20 ICED CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1746311179 UQNBCTCOWJGDGI-JKSUJKDBSA-N 426.543 0.920 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1747426154 YUMVLCIHRJVULM-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1763932892 NBSBSOBDRSFNCD-UAGQMJEPSA-N 428.541 0.711 30 20 ICED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1767960020 RJYIAPDFSCIEBP-CQSZACIVSA-N 440.551 0.892 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1778970723 FAVHDKUMHRYGLT-AOMKIAJQSA-N 432.521 0.942 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779873088 GYCLVYJXHAOMMY-XOBRGWDASA-N 433.465 0.430 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780648064 VFXSEMOONSFDQR-MIZPHKNDSA-N 448.608 0.871 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1781395895 DSOJUSXPQYPFIN-YWZLYKJASA-N 435.481 0.344 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1782198095 LCTPCFLKRIBESC-QKKBWIMNSA-N 434.460 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568128 PNFIBKGXDOXZMR-OAQYLSRUSA-N 443.483 0.594 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cc(C)cn3)C[C@@H]21 1783533292 SYCULHWGIADOAI-OOAFSNHKSA-N 429.521 0.591 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1784381829 RIXVNIKKVOGCFQ-VCOUNFBDSA-N 438.528 0.925 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1785371571 GQHGJOITUDOGEB-JTSKRJEESA-N 435.521 0.723 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC=O)C[C@@H]32)c(O)n1 1785774324 XMRDCNDBOHWEME-LNMJFAINSA-N 430.505 0.634 30 20 ICED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n[nH]1 1785841057 ODPKFIZIZJDFAT-ZWOKBUDYSA-N 442.516 0.904 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631561 NEXPZHJRMOHBIW-FJIDUMEYSA-N 434.537 0.112 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21 1788660455 PKMYZZAAHWXPDE-OEHMNMNGSA-N 432.477 0.910 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573367 ZCXXIMARJSUHJN-LSTDLKDCSA-N 430.461 0.216 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1790571416 FUSQXXFOUCBFCM-BZSNNMDCSA-N 429.546 0.636 30 20 ICED CN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)cc2)CC1 1792456833 KBVIZKLEAFAZQU-CEQLMSFQSA-N 437.544 0.945 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1Cl 1793163535 KVFPAWAWVSSWTD-ZSBFGKGUSA-N 432.864 0.867 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793310179 QOGMWHJVFVPZGF-OWLYRPNTSA-N 427.567 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793843068 YWQJDJOEUCFJAL-NNNWTRQLSA-N 444.484 0.925 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncnn2C)c(O)n1 1794566930 CXBDZQQSWXQPQB-XOIINTDNSA-N 426.477 0.551 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)cc1 1795416699 IWWZLDUBKRSSOQ-LJCCNALRSA-N 448.545 0.555 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795600239 ZAVMUEWYWLSTBB-HGKCTWBKSA-N 449.515 0.920 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)c(C#N)c1 1795691965 YJMGUFSNNBKBBM-YVWYUNDQSA-N 425.445 0.441 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)c1 1797237639 RRFZLZCIGHNMKL-VTYHHJSWSA-N 425.533 0.317 30 20 ICED CCOC(=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 1798267661 UGMOHISTNQCGOY-UKLBBIBFSA-N 426.470 0.218 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1799361802 IQHCRKWGUUROER-ZMMAXQRCSA-N 437.537 0.818 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1801162648 OMDKDFNLDBXAOR-ZMMAXQRCSA-N 437.537 0.655 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1)C(=O)O 1801763281 ZKNVQKXJBLFLHG-YJTOSLPHSA-N 428.489 0.580 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1802124588 BNIPSERMTIGEPB-IVSAIRAKSA-N 432.477 0.794 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCCN1)C2 1802126754 BSFVZOYCGKRSQT-GIFQPEHOSA-N 448.564 0.635 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1803560598 MTQUWIPFVLQHCZ-FXAWDEMLSA-N 446.504 0.613 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806770125 WMJADHUDWOHTPN-APWZRJJASA-N 437.518 0.641 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806865977 NVMJANKNDBMRRN-KNBMTAEXSA-N 435.488 1.000 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1812532473 RBIFISDJYOIIPC-KNQAVFIVSA-N 433.505 0.417 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1 1829635779 OTIDJSZBKHMDJS-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829743882 OBLOIWANEOJARE-DYESRHJHSA-N 438.521 0.503 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1829881214 QIMIGSZYYRTMJH-OAQYLSRUSA-N 436.509 0.661 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465630 OOJRHHGFWYPHBO-KSFYIVLOSA-N 447.919 0.659 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1831401901 HROPWCSELXQSKI-QINHECLXSA-N 426.466 0.043 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831490754 KVFHDELNAACDPM-PXNSSMCTSA-N 440.566 0.554 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1832451426 BJJPDYZZYOMAQI-HXUWFJFHSA-N 427.567 0.084 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833465065 JIAQIWINTRDNEJ-MRXNPFEDSA-N 446.508 0.401 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCCNC)C3)C2)c(O)n1 1833699181 UKGFKORPKANKPR-HSZRJFAPSA-N 446.548 0.975 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(C)=O)C3)C2)c(O)n1 1833699807 MCUWFLRRQGRODZ-QFIPXVFZSA-N 446.504 0.112 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835400542 WQZHRCRZLLTMAV-TZIWHRDSSA-N 442.626 0.035 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CC2)CC1 1835670272 XULFRLOUWOWTRZ-MTQWCTHYSA-N 430.593 0.937 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675534 VHQNKHXBYBSNTJ-OAQYLSRUSA-N 432.525 0.080 30 20 ICED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)cc1O 1835732114 OEHOBWKCEXNYSK-XQNSMLJCSA-N 445.568 0.783 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836240191 AKLXAHVAMHMXFH-YJYMSZOUSA-N 427.404 0.721 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1836756955 ZRUXQHYSSQUIBV-SFHVURJKSA-N 437.537 0.894 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837398913 KWDPSENHGJJZHI-VGSWGCGISA-N 443.504 0.372 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1Cl 1838596482 ZEHMRTHLKCXXKE-LJQANCHMSA-N 430.852 0.714 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1C 1838733271 WUWUKGSAWVNISQ-OAQYLSRUSA-N 426.477 0.241 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccccc4=O)C3)C2)cc1 1838950466 XPZAAXXZGQPMKP-HSZRJFAPSA-N 436.468 0.490 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1839174780 WNMADPPMVPGZFS-FQEVSTJZSA-N 437.518 0.651 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241569 QKIIABNOVBUGAS-QFIPXVFZSA-N 448.520 0.535 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1839453723 AHOLPEGOKXSFDV-JOCHJYFZSA-N 438.488 0.619 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839694721 RVODNGVDTDDDRB-XMMPIXPASA-N 440.544 0.643 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)cc1C#N 1840029364 BSOFLELTNGOWBM-ZHRRBRCNSA-N 431.489 0.796 30 20 ICED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040203 RLYBIVKARDGNGB-YDHSSHFGSA-N 442.468 0.343 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1840043406 WEISQGHAMFKABO-IBGZPJMESA-N 440.374 0.863 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840536513 QGSSNPZXOMFBRE-FNHXNCHQSA-N 425.482 0.008 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)c1ccc(O)cc1 1841962824 IUUAMBHGAACHGD-WMZOPIPTSA-N 438.484 0.691 30 20 ICED CN(C)C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 106112230 SUUOEKGNYKXAPU-UHFFFAOYSA-N 433.534 0.785 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 410140618 JNUFSPCOERPRSF-INIZCTEOSA-N 437.518 0.575 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 432393206 DYTZXEOJXJQNGO-UHFFFAOYSA-N 427.486 0.997 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@@](=O)C1 433256464 PFGNLMZVPUWGIG-WVDZOPJMSA-N 438.575 0.092 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 437102396 WPCSLGPRQJPTIV-AEFFLSMTSA-N 434.456 0.911 30 20 ICED Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 437640098 KXBKLZJKKVUQFT-UHFFFAOYSA-N 430.486 0.657 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)n1 439356489 KNRFPURNISEUMB-INIZCTEOSA-N 440.479 1.535 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1=O 467674696 FIXLPBNRDQDRBD-OIISXLGYSA-N 425.482 0.195 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 476044815 BQCSXVHIENHDBL-CYBMUJFWSA-N 435.506 0.506 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)CC1 477646823 FLNJCZVMODLHAC-OALUTQOASA-N 438.532 0.863 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)C3CCN(S(N)(=O)=O)CC3)c(C#N)c2N)cc1 479593765 LVGUJJVDCFCCCK-UHFFFAOYSA-N 445.549 0.599 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1N1CCOCC1 480113001 KVYHWZGZEUDWJA-HNNXBMFYSA-N 429.502 0.773 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480308477 YYVLWNSOKPIEND-CQSZACIVSA-N 442.563 0.545 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 481504839 CQLGTDHEFYXVKD-QAPCUYQASA-N 434.518 0.465 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N(C)CCc1ccccn1 481512257 RNUPHKBCHWIFFN-HNNXBMFYSA-N 429.502 0.437 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCCC(=O)OC 482556754 QEUKQTZHHBSVPY-UHFFFAOYSA-N 442.522 0.601 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 489274103 CYSLEZMNLJQVGT-NSHDSACASA-N 440.478 0.911 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O 490460232 VMSGZIGNJWWYCW-AWEZNQCLSA-N 431.312 0.861 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CC1 491017067 DZZMMUZLGXCEHX-UHFFFAOYSA-N 428.445 0.604 30 20 ICED COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)cn1 508362145 LLKRUWWYCRTOKB-UHFFFAOYSA-N 434.416 0.561 30 20 ICED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 522166602 DSQDFVRMDZITGL-UHFFFAOYSA-N 428.536 0.603 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CC(N)=O)c1=O 524283788 JVVJDPRBNFMEBK-UHFFFAOYSA-N 438.534 0.931 30 20 ICED CN(CC(=O)N[C@H]1CCCC[C@H]1n1cc(CO)nn1)S(=O)(=O)c1ccc(C#N)cc1 530470018 RJHDEHVXJKENEH-ZWKOTPCHSA-N 432.506 0.563 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)c1 538035352 RXCHVUQWJQYJPJ-QGZVFWFLSA-N 446.467 0.446 30 20 ICED Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 547270731 JGNCOOVLTMLSTH-GOSISDBHSA-N 449.471 1.559 30 20 ICED CNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 550872975 MPWYVIZVOLNRGH-LJQANCHMSA-N 433.468 0.846 30 20 ICED CN(C)CCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 553269485 YMRNSYFLNJZPFZ-LJQANCHMSA-N 446.621 0.847 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 553607573 DDCMUCHRJPPHNV-CQSZACIVSA-N 432.579 0.713 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558040460 DYQIMIJWMBQPBT-KRWDZBQOSA-N 444.511 0.063 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 558159359 MZRBMKAOLNQQCN-UHFFFAOYSA-N 429.915 0.581 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 559462207 NNLYFLCXGWBTIN-UHFFFAOYSA-N 448.527 0.750 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 570297283 WEZVNUFUEKWHSG-CQSZACIVSA-N 442.501 0.127 30 20 ICED CCCc1c(NC(=O)C(=O)Nc2ccn(CCC(N)=O)n2)cnn1-c1cccc(C#N)c1 574681947 JAVOTHYCWNDTLO-UHFFFAOYSA-N 434.460 1.346 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)C1=O 575766852 HRGWKQYTEXNHDX-UXHICEINSA-N 427.549 0.337 30 20 ICED CC(C)n1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 580142821 LWYPFGILSZIMPE-UHFFFAOYSA-N 430.490 0.807 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 588108462 VNIDNVVUSLDIJV-QGZVFWFLSA-N 437.500 0.924 30 20 ICED C=CCCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 606139398 ZVJZJYNFCLRMRS-OAHLLOKOSA-N 443.547 0.515 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1=O 613853859 PNKJQIZXSXSTOS-UHFFFAOYSA-N 426.473 0.703 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 673419560 IVTQPJKTBBTUMS-ZDUSSCGKSA-N 438.326 0.468 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(=O)NCCOC)CC3)ccc2c1=O 728199263 RPGWXLHSRWGPOA-UHFFFAOYSA-N 445.545 0.392 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(OC)cc1 732562455 AWYJVVWDERAFLP-UHFFFAOYSA-N 435.509 0.929 30 20 ICED CN1CCC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 735886636 KWMMWWMYECXACQ-SAZKUCFMSA-N 435.550 0.896 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1cc(C)ccc1F 743726064 CNJMBDOTDJCRSY-UHFFFAOYSA-N 441.488 0.439 30 20 ICED C#CCOCCC(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 756313236 HECOJPJLVJWICI-UHFFFAOYSA-N 444.893 0.883 30 20 ICED O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 765489965 OOFPZNXYHGHCOY-DQRAZIAOSA-N 425.489 0.758 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 767628179 TYTXWRQDUXTLSV-JWGURIENSA-N 446.493 0.279 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n(C)c1=O 771896535 BTWJGAMQKRGVFJ-UHFFFAOYSA-N 428.854 0.211 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 782647552 ZDJUAPFZJCVNSU-UHFFFAOYSA-N 432.424 0.455 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785960230 ZOFJOKGQHXOSFX-UHFFFAOYSA-N 442.453 0.939 30 20 ICED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cn2)cc1Br 788484173 GZJZOWMWMLRTAA-UHFFFAOYSA-N 432.281 0.669 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794642219 KDPXBSVDUKNRQA-DOTOQJQBSA-N 440.525 0.742 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCN(CC(F)(F)F)C3)CC2)o1 795739051 KMFGKEVRIVIVRP-ZDUSSCGKSA-N 429.399 0.931 30 20 ICED C#CCN=c1nc(N2CCC[C@H](CNC(C)=O)C2)[nH]c(N2CCC[C@H](CNC(C)=O)C2)n1 804388269 RIXXYXHSXBYDBV-RTBURBONSA-N 442.568 0.044 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c(Cl)c1 806712857 DCKRXKMUGAKSFT-INIZCTEOSA-N 448.907 0.899 30 20 ICED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 806826001 ZQOUUWOVNJOPQB-UHFFFAOYSA-N 426.454 0.541 30 20 ICED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccnc1-2 806854736 OHMGDHJWLKKBMV-UHFFFAOYSA-N 446.427 0.749 30 20 ICED O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCN/C(O)=C1\N=CC=CC1=O 810382470 ONEZAQAHNJOIGP-JQIJEIRASA-N 447.300 0.914 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1cc[nH]n1 813821828 ZOVPXTGEHXIPFU-CYBMUJFWSA-N 441.510 0.014 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685907 CXRWSEGOIYXQSJ-OAHLLOKOSA-N 435.502 0.553 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 916809262 MCXHPQRXUHSLDL-UHFFFAOYSA-N 435.483 0.698 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 918738593 BYEIERBQQSIZNY-HSZRJFAPSA-N 447.499 0.964 30 20 ICED CC(=O)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1286857499 SGSJTAIGOHXENG-IRXDYDNUSA-N 438.492 0.913 30 20 ICED C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1360531851 WUNUYBHHDJQEFE-HZPDHXFCSA-N 426.481 0.375 30 20 ICED N#Cc1c[nH]c(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O 1473048286 UWYCDPAUWXKSMH-UHFFFAOYSA-N 443.485 0.172 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1502382441 WTSVEHBOSXYYRC-CVEARBPZSA-N 428.541 0.568 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1509977688 YUDLELZKDCEVFC-YCRPNKLZSA-N 427.509 0.495 30 20 ICED CS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555819456 PLHAWZHDMGQOLA-HNNXBMFYSA-N 429.506 0.628 30 20 ICED CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C1CCCC1 1556978380 UYXLKVXTFWSVTN-MJGOQNOKSA-N 447.561 0.982 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1C 1707551726 PNNDVCDERLQEFG-KRWDZBQOSA-N 434.522 0.752 30 20 ICED CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1722754955 OGYXUSLNONLCET-KRWDZBQOSA-N 445.549 0.671 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750077729 WTDVYHYLEKJRMC-IIDMSEBBSA-N 428.559 0.614 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1761483470 YWTNIVRAZBIKGP-XEZPLFJOSA-N 448.546 0.298 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670465 HQGODZXOCWOYFX-HVHIPWAVSA-N 431.493 0.802 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779360786 PTYGINYKXXMVHM-UHKKGJDBSA-N 433.553 0.498 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1780599990 JQMMIFYOBXOLKF-OAQYLSRUSA-N 433.428 0.047 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1781176219 IJMBZTGZYFPUHU-HXOBKFHXSA-N 440.500 0.465 30 20 ICED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nc2nccn12 1781311984 HTSKADJTXWZPLO-IIBYNOLFSA-N 425.445 0.253 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781336967 MUGKZWWUKFRXEF-BTYIYWSLSA-N 438.525 0.642 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605191 HWXOTENSCFBWPV-JPLJXNOCSA-N 444.488 0.145 30 20 ICED 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C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1792922638 KNBMFSFTJWCJBN-JLVBRIDZSA-N 448.545 0.810 30 20 ICED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(F)(F)F 1793691478 DJSMAKKMXJXMJI-YEGNLMCNSA-N 437.415 0.418 30 20 ICED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)no1 1794061468 VNDCPAHCKRPWHY-VPTLXERWSA-N 425.445 0.461 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795597652 RDCXWINYQACUHG-RZFLPCETSA-N 434.537 0.447 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1C[C@H]2C[C@H]2C1 1797634153 HEKOOGZGEMGAOE-KNXCETCSSA-N 434.537 0.445 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1C[C@H]2C[C@H]2C1 1797636367 ROPNFWSWEUESRA-FMQYKSNSSA-N 448.527 0.978 30 20 ICED Cn1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797783105 CRXUQSGMWOLAMT-HATOLVCRSA-N 428.533 0.641 30 20 ICED 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1837396598 GROIZUOOPYCMTD-HTAPYJJXSA-N 436.553 0.298 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1837398945 LDIRXRORCJPJOR-AVRDEDQJSA-N 434.537 0.626 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465788 JKCKSKPQYPFNJQ-UWJYYQICSA-N 438.594 0.695 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837529190 PYQVFYRZUWHKEF-MEEJOMPNSA-N 433.465 0.076 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc(O)n5c4CCCC5)CCO3)C2)CCC1 1837762101 HSPJHCGROFCIJT-JOCHJYFZSA-N 443.504 0.689 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc[nH]c5C4)C3)C2)c1 1838742021 MGQOWBOITONWKK-AOMKIAJQSA-N 438.488 0.485 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)cc1 1838949643 MYNXJFDYTWMXOY-UGKGYDQZSA-N 425.441 0.955 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1839226868 FZXPTCCPORSGRZ-OPKIRLMFSA-N 436.553 0.584 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)CCO2)C1 1839696014 AFNZXXGTLWKWAF-DLRJPAPCSA-N 434.562 0.600 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840007536 IHEPRYSKPRLZHY-AOMKIAJQSA-N 448.520 0.613 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062152 NYRFWHZLZNIDAZ-OMJZWIOZSA-N 448.476 0.386 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840157108 FXGLHPCJVWQHHA-KUHUBIRLSA-N 442.559 0.478 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840162954 LHPRQZMMGJNTND-QCBUCWTNSA-N 425.551 0.162 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847848592 KKPVXHYVBCGHJV-QAETUUGQSA-N 448.520 0.993 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441943523 TZUQSURKOIRSDY-KRWDZBQOSA-N 425.510 0.308 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C 442404395 CBVMCVXMRKNZBS-QGZVFWFLSA-N 448.487 1.336 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](COCCOC)C2)cc1 442525022 ICPGLVNXJQEPRT-INIZCTEOSA-N 439.534 0.943 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CN1CCOCC1 443301815 WYXBGODSRRPCLG-KRWDZBQOSA-N 430.383 0.595 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 444503892 FWSBWJYILVFACK-UHFFFAOYSA-N 430.490 0.705 30 20 ICED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 469088594 SYRQAHHZWGSZPA-CYBMUJFWSA-N 438.488 0.932 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(Cc2ccccn2)n1 472886985 YEYGGUQFETVILT-UHFFFAOYSA-N 447.503 0.836 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478737109 ZLUVBXAYBCBECV-MRXNPFEDSA-N 429.546 0.895 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(Cc3ccon3)c2=O)o1 480929516 BCSIHCSGDRWSQS-MRXNPFEDSA-N 440.481 0.646 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C2CCN(C)CC2)c1=O 489027092 RFPFXCXIANMZPJ-OAHLLOKOSA-N 441.557 0.502 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 500029174 ZONANIRHEWAXRZ-SFHVURJKSA-N 436.534 0.365 30 20 ICED Cc1c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 504192955 CBMYURIGAODSLG-KRWDZBQOSA-N 446.467 0.738 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCCC(=O)OC 514919484 XIVOPEWIPMMMIJ-UHFFFAOYSA-N 443.525 0.901 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 514979108 DNQYVCQFCFHXHK-UHFFFAOYSA-N 429.458 0.033 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 515887677 RQVRHALXYQGMCH-MSOLQXFVSA-N 426.521 0.801 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CS(=O)(=O)N[C@H](C)CC)c2)C1=O 534209483 SCUKRMZYYUEUBC-CYBMUJFWSA-N 436.490 0.820 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 536557007 QLHBJXRDJFFUHT-UHFFFAOYSA-N 449.537 0.960 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 540547685 LTDGHMKHXBEUCV-SJORKVTESA-N 439.607 0.718 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 542438782 CDUJIVHPSVVWLH-BEFAXECRSA-N 441.513 0.927 30 20 ICED COc1cc(C#N)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 545295644 FIZABCPVXSWLFP-UHFFFAOYSA-N 433.446 0.797 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 551730739 FFQOHLUABRSAHR-FUHWJXTLSA-N 434.518 0.605 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 551798296 ZWNRTYPTSBZITL-KRWDZBQOSA-N 445.495 0.536 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)c(F)c1 552910082 CFDCVHQSYKBZDU-KRWDZBQOSA-N 444.511 0.050 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1 554199609 MUGIAIWTYXMPLV-UYAOXDASSA-N 442.564 0.855 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@@H]2CCCCO2)cc1 555465245 BEHZBLMURWZMRU-ROUUACIJSA-N 435.488 0.533 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 556313369 CLJHQKBALYEACT-GOSISDBHSA-N 448.545 0.932 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 558055634 MLZARUFBZSRLBR-APWZRJJASA-N 441.532 0.473 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCC1 558331081 WRAXVTIEGNJIQG-GOSISDBHSA-N 439.516 0.540 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562158918 UZVYELCRKQQZSZ-OAHLLOKOSA-N 428.536 0.157 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCN(C)CC1 568303668 CZILFJFMSNSCPT-IEBWSBKVSA-N 444.555 0.782 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 577753765 FIISDFZUYVFNET-IBGZPJMESA-N 428.537 0.465 30 20 ICED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 603614383 MRCIJDZHXDAOIW-MRXNPFEDSA-N 431.880 0.645 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 603996914 LSGYRFMOGKOACZ-UHFFFAOYSA-N 427.482 0.282 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)nc1 608991734 KXZAHRMASAKIEI-UHFFFAOYSA-N 434.504 0.948 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610810175 UTYAARFWUIOQHG-IIYDPXPESA-N 430.490 0.269 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1F 669652963 BYBUKHBHEIOBRS-CYBMUJFWSA-N 445.472 0.042 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1=O 726042144 DWBWWPYAAOEUTC-UHFFFAOYSA-N 446.807 0.379 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726585191 UHJIXVUJEGYCIS-QGZVFWFLSA-N 426.521 0.812 30 20 ICED CNC(=O)CNC(=S)NN=C1C(=O)N(CCCOC)c2ccc(Br)cc21 731928584 FHKOBJNCUWKOAT-UHFFFAOYSA-N 442.339 0.746 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C(=O)N1CCS(=O)(=O)CC1 732910452 PUSRKFVOBHIRQG-FUHWJXTLSA-N 429.498 0.494 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)C2=O)cc1 733830165 GBMJAWVONORMSC-CVEARBPZSA-N 441.444 0.173 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2Br)c(=O)n1CCOC 735294629 BOAQVXVBNSKBER-UHFFFAOYSA-N 438.303 0.717 30 20 ICED C[C@H](CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742526885 IKGXBKZOWDVBQI-ZIAGYGMSSA-N 442.563 0.434 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)cc(C)c2)c1=O 742530921 HYFNGRMXFZVJKB-INIZCTEOSA-N 429.542 0.827 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037522 XLEIMNXIPDVWGZ-RUGGUXRKSA-N 439.468 0.615 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C[C@H]1CCCO1 744130834 PSLVMJURERAZEV-CABCVRRESA-N 443.522 0.368 30 20 ICED COC(=O)CN(CCN1CCOCC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 746379470 FUEFGNBFJLGDCT-UHFFFAOYSA-N 429.477 0.087 30 20 ICED Cc1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n(CCC#N)n1 746412039 QPGCQNSMRNOJEX-UHFFFAOYSA-N 447.496 0.239 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(CCCCO)CC2)CC1 746488444 ITFHSXCXQIBYFC-UHFFFAOYSA-N 442.520 0.845 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)c1 747957868 VCVOHFACFJCRBE-RUNIHZNKSA-N 443.460 0.635 30 20 ICED CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 749692006 OVCORWFZRWYGAM-ADSWHHSESA-N 449.533 0.563 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 753752553 LDGAZSGOIMARDU-GXTWGEPZSA-N 442.567 0.252 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 756226207 HGSPWKPIKVFAQD-HOCLYGCPSA-N 438.550 0.797 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 756846173 ZSPPMFIYPPAXCE-UKRRQHHQSA-N 435.485 0.526 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnc3ccccc23)c1=O 758059514 PNLZTQBPEKVKPN-UHFFFAOYSA-N 430.489 0.453 30 20 ICED C=CCOc1cc(OC)ccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 766800859 BNPWLZIWGDBLDA-LBPRGKRZSA-N 426.447 0.430 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)c3nccn3C)cc2)CC1 770865722 GBWCHILZRIBXQK-KRWDZBQOSA-N 443.485 0.478 30 20 ICED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 770866023 OEBCVPJNBCHIKT-UKRRQHHQSA-N 442.453 0.949 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771412546 OLZPPPWEZLLCOF-ADLMAVQZSA-N 436.262 0.897 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1cc[nH]n1 772125470 SRCCNYICELKIDP-CQSZACIVSA-N 428.449 0.966 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2=O)cc1 779992885 KCTLAEZQFMTWMA-KRWDZBQOSA-N 435.506 0.015 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 787272045 QFPKEUNBAXTZGS-GOSISDBHSA-N 426.489 0.541 30 20 ICED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 787516847 WZBKDWAQKLYIIB-OAHLLOKOSA-N 448.487 0.862 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790021214 KHAAWCKGYSZQKV-ZDUSSCGKSA-N 447.477 0.236 30 20 ICED COC(=O)CC1(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 791208873 KDRWVVRHXCARAI-AWEZNQCLSA-N 437.518 0.980 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)cc1 792414306 YFHGJMFUHTWRLA-RJHYDAJSSA-N 434.518 0.933 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 804061652 ZQVTVSPIHFIPSK-MOPGFXCFSA-N 448.527 0.734 30 20 ICED C#CCN=c1nc(N2CCC[C@@H]2c2nncn2C)[nH]c(N2CCC[C@@H]2c2nncn2C)n1 804586811 BYBPHFBABHNTCL-HUUCEWRRSA-N 434.512 0.279 30 20 ICED CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC(=O)NCC#N 807401796 VFVMDNYLOWACIY-UHFFFAOYSA-N 425.239 0.710 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)cc1 821173143 MDLOYJAHZDFDDW-MRXNPFEDSA-N 428.470 0.605 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 837968331 ZNABAVSTVZZQNZ-UHFFFAOYSA-N 435.509 0.482 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 857752477 PJKIFQTULZNFFS-DOMZBBRYSA-N 428.894 0.554 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1CCOC 916198038 BAVPBMRLGCBJNY-UHFFFAOYSA-N 429.542 0.747 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)COC)CC1 916690137 IDKGIUXVCFAHQB-INIZCTEOSA-N 436.534 0.601 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCC1 919670394 QDVGFWCVQBARBG-AWEZNQCLSA-N 428.536 0.741 30 20 ICED COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1143616533 XPILYYDOMHXHNF-HNNXBMFYSA-N 429.458 0.759 30 20 ICED CN1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)(N2CCOCC2)CC1 1251865740 MIMMFOMQHMXQET-UHFFFAOYSA-N 427.553 0.581 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1302495719 JDSSKEDRLJSJEI-QZTJIDSGSA-N 446.533 0.750 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 1321574474 ZINGHQYCMVKZDD-UHFFFAOYSA-N 428.898 0.907 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1503289733 DWGAFMXEMQRZHJ-JMGYQRAPSA-N 437.547 0.846 30 20 ICED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOC1 1517950859 ZMBFFEADFFNJFE-HXUWFJFHSA-N 447.517 0.769 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1541803702 LFMOTNFGTLLCBP-XJKSGUPXSA-N 437.501 0.932 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(CC#N)C1 1557187884 PVXHSOAXRBOFES-QAPCUYQASA-N 427.910 0.750 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1618691640 ZUDRQXBEATUQRU-GOSISDBHSA-N 441.561 0.817 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1618845810 QDDYUPDDVVXJON-IBGZPJMESA-N 443.577 0.903 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1622133048 JMNRVWZQSKWEQP-BNOWGMLFSA-N 426.461 0.871 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)CC2)o1 1637428750 RQAXYAZZLTXMMN-UHFFFAOYSA-N 435.550 0.793 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1649681020 UUOWUGSVSYTGRI-SFHVURJKSA-N 448.549 0.692 30 20 ICED N#CCCN1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1665598866 TZCSVPVGJXLHFI-IBGZPJMESA-N 436.534 0.885 30 20 ICED CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691109363 ISPPCXVHROIPKG-MRXNPFEDSA-N 425.493 0.568 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712470781 UGDYBQGKCIDNPQ-VWKPWSFCSA-N 429.525 0.854 30 20 ICED C[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCO1 1724042161 PCEBKBFTZDPDDD-VQIMIIECSA-N 438.554 0.920 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1730201544 MNPIXFDRZVPRTP-OAHLLOKOSA-N 436.419 0.976 30 20 ICED CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747767754 QGTYWUZZYXQZJZ-FQEVSTJZSA-N 441.517 0.736 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1771130130 RSIFYKBFMSXBLM-ARFHVFGLSA-N 438.554 0.413 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn(C(C)C)n2)C1 1778280127 ZXNOLBCWZUZWPX-GUEKAFECSA-N 444.536 0.845 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778954559 DLSVEASOPWMFLI-IVZQSRNASA-N 445.495 0.777 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779101660 SDEQUOJQBOMTPN-PTXHPZSESA-N 447.492 0.848 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C(=O)O)ncn2)C3)c1 1780178978 ISUNYYQLDKQZLL-DYESRHJHSA-N 438.444 0.816 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CC[C@H]4CCC(=O)N4C2)CCO3)c1 1780333808 GJSXCVJKHOUBAZ-HOIFWPIMSA-N 425.489 0.731 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1780347408 GSAUAGQFSYDHTQ-NJNPRVFISA-N 427.505 0.279 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)n1cnnn1 1782602331 AHKYZWFOKLGROK-WAOWUJCRSA-N 444.536 0.447 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@@H](O)c1ccco1 1783566767 ZWIIZTVAMZKFHB-CFVWABBYSA-N 435.477 0.822 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783888674 AOJKKCJQJWDBQK-XGKMFUNXSA-N 443.566 0.505 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784536106 MIXZDDATDRAJRJ-USJZOSNVSA-N 449.577 0.564 30 20 ICED CC(C)(C)OC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784778486 UXFAKEDXOZHNJK-ULQDDVLXSA-N 436.553 0.980 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1785427809 MMLVUKQHWCUSEG-HXOBKFHXSA-N 442.516 0.866 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21)C(=O)O 1786897664 MPZGZHYHMBJGIN-WQCNXYOZSA-N 446.479 0.282 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787472419 AMPUCTTVHHGRKM-MLCQCVOFSA-N 432.524 0.983 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc5c4NC(=O)C5=O)[C@H]3C2)c1 1788436731 XVBDOLWGKQAYLK-OWQGQXMQSA-N 447.451 0.928 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573230 QPMDDBULFKDOGM-FCLVOEFKSA-N 427.505 0.859 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC(=O)OCC)[C@H]2C1 1790605087 LBGWUUYCXJRUIP-GVVOSDJISA-N 437.493 0.386 30 20 ICED 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)C(F)(F)F 1790882502 MBRLWGYOWJHANF-DUIQVVMOSA-N 448.467 0.887 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793385346 LFJMIHOYPRJPQY-SGPHBRAGSA-N 431.555 0.374 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403233 NMZVBHNPPGEPTE-MIFYACCESA-N 431.449 0.220 30 20 ICED 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 1799284810 TWVZJCUEYSAHET-NQNKBUKLSA-N 438.525 0.180 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1799307028 WDWGYPNYAANBSQ-RCLSDMTESA-N 430.501 0.689 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802619528 XBHDSOKBYGCUBZ-LXTVHRRPSA-N 433.461 0.639 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1810338236 HELMOBLHKSPSHJ-RZUBCFFCSA-N 441.484 0.996 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810360096 DTEARUVOMDYHHY-AWJMBJGLSA-N 434.493 0.625 30 20 ICED CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1812621638 UBGZZABPTHXDNY-KNQAVFIVSA-N 426.517 0.922 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1812648184 HSRWUKMZKBPSMO-LZQZEXGQSA-N 428.537 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)[nH]n1 1814436160 KXNLDECXWFCUKE-PRQMKSPXSA-N 432.481 0.323 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1814976293 GENHYOIEMJSLQD-LBPRGKRZSA-N 432.554 0.177 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@H](NC)C(=O)O)sc2C1 1815082138 TXPUUXQQBIQPBA-WCQYABFASA-N 438.506 0.627 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817143950 CFLMBHQMXCQLCV-JTGQJZMRSA-N 430.509 0.592 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822196447 FAOZPRIEZFITGK-KBPBESRZSA-N 449.464 0.375 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2C[C@@H]21 1830747632 JEWKAFCLYKXNNA-DOWNOZBLSA-N 448.520 0.754 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1831388350 XIEGMSGNYKBFFB-VGSWGCGISA-N 432.521 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 1831397495 RUOAYANVYKPEFK-GAJHUEQPSA-N 446.500 0.812 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831485740 ZXEAMRHVWOLSTL-QFBILLFUSA-N 425.507 0.110 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831492351 KMPJRDKYIVTKAO-JXFKEZNVSA-N 437.518 0.835 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1831614938 ADFAIMAJNONQNQ-SEPYTNNBSA-N 442.516 0.895 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831872286 IVKBHGHMYHYCLE-HSZRJFAPSA-N 444.532 0.497 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1832453084 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1837310842 USVHKHUZOPUEQU-PQNGQFLHSA-N 448.608 0.847 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837399625 YCLPEGALOADUGN-CVDCTZTESA-N 442.516 0.977 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559947 FRKHNACDSUEVFU-CMQXEDBBSA-N 434.493 0.070 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837565033 JLWRJLWUMZHXEW-HOGCTVLVSA-N 428.445 0.569 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837567289 BXGZEHJUGXQIIQ-HPARJBSBSA-N 442.472 0.498 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567660 RGWGARBLIKRAMY-VFJYRVFXSA-N 448.520 0.460 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838345610 BTENMPNVYJQJEB-OAQYLSRUSA-N 434.493 0.538 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1838492187 GTGLHYDUOLQFSH-VBKZILBWSA-N 447.517 0.828 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2NC1=O 1838588338 QVGIYRLLTHUYAD-SZNDQCEHSA-N 428.445 0.390 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1838908872 YXDWFKLIBCOKGH-PGRDOPGGSA-N 426.473 0.154 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838968059 LYEJCXFFQSNAPJ-KOIKXXGWSA-N 429.473 0.321 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105999 QXNBRICESDKVOG-ZFGGDYGUSA-N 448.608 0.847 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839227323 CLGAETXUHMVTFI-KKSFZXQISA-N 449.508 0.537 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839389482 RPSKDFTXESIUIE-SARUNTBLSA-N 430.461 0.517 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1)C(F)(F)F 1839895286 UMISUEYGYAAZEG-CRAIPNDOSA-N 435.443 0.866 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)c1ccc(O)cc1 1840219829 IVXZRSWNYQKEDR-LJFZDNNRSA-N 443.544 0.940 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279958 MMOGSMQZVOACNO-UWJYYQICSA-N 428.526 0.823 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1840571565 BIJUCEYDGPEIIY-QFIPXVFZSA-N 438.488 0.066 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840842784 ACFCLJIHXIEVGE-VQKOGROQSA-N 429.473 0.322 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1840845195 NGGODQAQEHEZLE-MBSDFSHPSA-N 447.532 0.773 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2Sc2nnnn2C)C1=O 116624301 ZGIUQBRLELWJHG-UHFFFAOYSA-N 435.853 0.930 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 409535677 ICIRRPLAQVCINF-ZDUSSCGKSA-N 433.556 0.714 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 410133627 ZPQOCRQCWAAUKN-YYIAUSFCSA-N 448.615 0.397 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 427940764 XRTSYHZMMNKOII-UHFFFAOYSA-N 425.424 1.230 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1OC 435203395 QGVPTZIINCEBCT-OAHLLOKOSA-N 443.525 0.571 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCSC 443675090 LKLZCNUQAUYIFS-UHFFFAOYSA-N 447.582 0.937 30 20 ICED CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1(C)C 447290297 LLYSIZOBQWDBON-QVKFZJNVSA-N 426.477 1.068 30 20 ICED CC(C)(C)NC(=O)CNC(=O)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 448122976 BBOWADOHJXHBPQ-INIZCTEOSA-N 436.534 0.759 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(C)C 461370633 GMYQDURHOCFZRS-UHFFFAOYSA-N 440.525 0.712 30 20 ICED Cc1ccn(C[C@](C)(O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c1 468276241 BZUMRQOFTDYZSK-NRFANRHFSA-N 444.513 0.313 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 476033606 NSRLHOAQKXRVKL-MOPGFXCFSA-N 430.530 0.381 30 20 ICED Cc1ccc(C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)cc1S(=O)(=O)NCC#N 477676467 YMVCPHMIRBEMDU-UHFFFAOYSA-N 442.453 0.939 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc(OC)c1OC 478851254 HOKDDJKEJMOREL-CQSZACIVSA-N 444.509 0.971 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 479082279 ROCVPLSUKWEQRQ-OAHLLOKOSA-N 438.506 0.500 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCOC3)c2=O)n1 479366652 QAQBHMTXPNDNHV-OAHLLOKOSA-N 442.541 0.625 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 480807738 VDCVHYJKTWRDTO-UKRRQHHQSA-N 428.536 0.013 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481976227 JASPIWNVXRVEED-CQSZACIVSA-N 426.523 0.976 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(F)cc2)c1=O 488140896 FUGCIHKNYHFTPN-UHFFFAOYSA-N 449.529 0.219 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508490969 RVSQHHIMQWMKOJ-HNNXBMFYSA-N 443.537 0.872 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](C)S1(=O)=O 509776326 VQSKRHRBSRSUIU-BBRMVZONSA-N 430.490 0.561 30 20 ICED CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC(=O)N(C)C1=O 513942649 RDSSWRXUKNXXPX-SFHVURJKSA-N 446.529 0.955 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 517197031 UWLARUMNYCVCBY-UHFFFAOYSA-N 438.532 0.363 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 519098422 HRUZUJBPWZUICA-UHFFFAOYSA-N 440.528 0.414 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2C)c1=O 523476687 BCSPQPZZCSGSLX-UHFFFAOYSA-N 433.555 0.678 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)n1 532012008 YSDNBBBNXYIWJR-UHFFFAOYSA-N 440.525 0.841 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCCO1 533884652 KANOGPDEIFQSDS-HNNXBMFYSA-N 433.555 0.806 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCCO1 536086348 VXTGGFCMILJTLI-MRXNPFEDSA-N 429.546 0.725 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1CC(N)=O 543147010 MQGAXCBSRRRRFB-UHFFFAOYSA-N 449.536 0.671 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 554520193 LAUPMTCRZAQGKO-NSHDSACASA-N 425.437 0.260 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)nn1 558516534 CMTSUQMQEPTWGI-UHFFFAOYSA-N 449.431 0.319 30 20 ICED CC(C)N1CCC(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 563785529 ANGSOXAVEOXGGQ-UHFFFAOYSA-N 433.578 0.854 30 20 ICED COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 568565861 ZDGKITQHVJCRDZ-MRXNPFEDSA-N 428.493 0.606 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O 575072489 WCTDRMPZUHCENK-UHFFFAOYSA-N 445.501 0.173 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 578029644 KIZIBWSSJTVPKT-SFHVURJKSA-N 446.533 0.989 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)n1 578501419 FUFWGXWNCQKFCG-AWEZNQCLSA-N 432.506 1.147 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 578564731 MARZLSKVVOBREK-MRXNPFEDSA-N 427.442 0.226 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 602253754 VHESIKPEOJDMID-HNNXBMFYSA-N 449.510 0.784 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 608911669 HVBCBQBACIAHMA-UHFFFAOYSA-N 428.514 0.069 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610807136 AOKSAYFIYZXNJS-GOEBONIOSA-N 441.513 0.719 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 685747065 MCTBDIPTUFXZOX-UHFFFAOYSA-N 448.505 0.355 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1=O 729463080 IHYVYUGWJUOWNC-MRXNPFEDSA-N 435.525 0.690 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCNc1ncccc1C#N 733039906 WDPNUFVMIINDME-UHFFFAOYSA-N 432.506 0.477 30 20 ICED C[C@@H](CC(=O)N1CCC(CS(N)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742631123 UIDDLVPWOHEVBF-LBPRGKRZSA-N 428.536 0.031 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)OCCCO2)cc1 754040118 NVQYGBPQTQNHPN-JWGURIENSA-N 438.506 0.707 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758069680 RGUHTPRKXLDTSA-UHFFFAOYSA-N 440.481 0.878 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1N 766354784 PJPOWQFPDOTEOO-GFCCVEGCSA-N 435.462 0.424 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 770102468 QWBXFUOPTOGUIZ-MRXNPFEDSA-N 431.449 0.738 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)[C@@H]1CCCO1 773565378 WPFVFVWQTUMBPJ-IRXDYDNUSA-N 437.518 0.901 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786408776 WVHXRAOXOZZCCZ-HNNXBMFYSA-N 448.524 0.773 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 787402057 WBIYMZYVXPUJEL-UHFFFAOYSA-N 429.477 0.874 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 787505370 NHPOZTKJTMIAGV-OAHLLOKOSA-N 444.531 0.343 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)n1 789788963 XLNPWFQIHABNFP-UHFFFAOYSA-N 425.489 0.967 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1=O 793707395 NIWCIROQVQTBAF-SJORKVTESA-N 447.536 0.833 30 20 ICED COC(=O)[C@@H]1[C@H]2CN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C[C@H]21 794964276 OXQXHPBLUPTALM-UOIKSKOESA-N 425.445 0.806 30 20 ICED Cc1c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 801290782 MCTZSAHSARSNSP-UHFFFAOYSA-N 430.446 0.780 30 20 ICED C#CCNc1nc(N[C@H](C)CN2CCN(C)CC2)nc(N[C@H](C)CN2CCN(C)CC2)n1 804440706 MRNAFCAQFZLVAF-RTBURBONSA-N 444.632 0.012 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 849001935 CMHZESZAMZHZNW-JOCHJYFZSA-N 428.537 0.909 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 920249216 NGBTVLLMQXKJEN-IRXDYDNUSA-N 440.543 0.406 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 920652644 CFLFPYYJNOWLNK-GWCFXTLKSA-N 442.266 0.483 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1513358859 UKYLYKABWCGSHG-QGZVFWFLSA-N 429.522 0.530 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1547920562 XNUANPIMPFPXIQ-TXPKVOOTSA-N 439.538 0.626 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1618836716 XUWBTNOPLAGMMJ-UHFFFAOYSA-N 436.480 0.367 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1620169966 NTANSPXUIYGDSY-QGZVFWFLSA-N 432.506 0.314 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1724011848 SFOPBLXEJUSFCR-WMLDXEAASA-N 441.579 0.887 30 20 ICED CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747559071 SBTYZBGQKKBAIZ-HRCADAONSA-N 434.522 0.805 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749267065 OAKYHQNAXAXHNN-KGLIPLIRSA-N 428.946 0.986 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1760696646 SCPWIGUDBRMKCT-OAFZBRQQSA-N 440.570 0.758 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)CCO1 1770747334 PEFKHUZRLKNUIJ-IRXDYDNUSA-N 440.508 0.501 30 20 ICED COCCN1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1771130133 RSIFYKBFMSXBLM-XHSDSOJGSA-N 438.554 0.413 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)CCO1 1771539159 OYZMKAOIQONTCO-KRWDZBQOSA-N 429.525 0.922 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CS(=O)(=O)N3CCCC3)C2)C1 1778088336 MNPAJSFBSXRWLE-WIYYLYMNSA-N 439.578 0.892 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1778822811 HTVLFYFTEHFKBV-URAOTHONSA-N 433.530 0.926 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cccc1=O 1779063496 ZQAMRJPAVSECBL-HSZRJFAPSA-N 427.501 0.527 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779342885 AUAPMWYSSJODJY-AOMKIAJQSA-N 432.521 0.942 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779525868 RUIZXLCWXYMZCU-JOCHJYFZSA-N 442.472 0.317 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154435 HBPMSUFFZTUQMB-GAJHUEQPSA-N 446.500 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CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1835350626 VUDNNMWBADPOFA-HXUWFJFHSA-N 435.502 0.003 30 20 ICED CCc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677406 HUVVHLWJVRRZGU-QFIPXVFZSA-N 447.536 0.897 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1836846036 FTOOXYJBVPEACQ-INIZCTEOSA-N 428.551 0.458 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1836860647 VSIFGMDXDWJPJT-HNNXBMFYSA-N 443.504 0.226 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193491 NYIRLVFQFPMHQT-PXNSSMCTSA-N 433.534 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1837392920 IRKXHVBGDCNYAU-VHSSKADRSA-N 438.443 0.329 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837399626 YCLPEGALOADUGN-WMZHIEFXSA-N 442.516 0.977 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)C 1838732807 BEXNLADYKYWAER-AVRDEDQJSA-N 445.520 0.507 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC(=O)Nc4ccc(F)cc4)CCO3)C2)CC1 1839029275 BJWVOFVVTKPMSV-QFIPXVFZSA-N 444.463 0.914 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839227286 BGSKHRLLDAGPDF-JXXFODFXSA-N 443.497 0.805 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1839419602 KPPWEYVOUWBCHO-QFIPXVFZSA-N 439.447 0.800 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)[nH]1 1839487325 BNMASAXRTIVXIG-QFIPXVFZSA-N 449.471 0.850 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839846660 ZKKYKFIGESMODE-HRAATJIYSA-N 448.476 0.425 30 20 ICED COc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839996811 OSIZSRJIKNXBGI-IOUFHMPJSA-N 428.441 0.253 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc4ccccc4o3)C2)C1 1840042942 XWSAMQYQOMRYFD-NFOSPISASA-N 438.436 0.990 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840293461 CPCBZJOUSZZWGD-QFIPXVFZSA-N 446.504 0.363 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840453797 WAFPJIOWMZDLCK-OPAMFIHVSA-N 439.472 0.819 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840802163 ZDSUAOMVDHXKGN-OAQYLSRUSA-N 436.509 0.661 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)[nH]1 1840818620 MAUMEOCAHIBTNN-QFIPXVFZSA-N 439.472 0.739 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840841987 GRQDYIGFDSPCNQ-HSZRJFAPSA-N 440.500 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1841054534 LSMAZJGYWSLBJY-FPLPWBNLSA-N 439.516 0.594 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)CC1 1843349966 OAYSMCQJPKXBDV-HNNXBMFYSA-N 434.541 0.017 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 24263606 BRGANRDHMZFYRD-ZDUSSCGKSA-N 425.467 0.301 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)C1=O 58871288 YQJVRRFWFMDYSM-UHFFFAOYSA-N 433.446 0.073 30 20 ICED N#CC1CCN(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 61584979 DAFVAMXEFZXQGC-UHFFFAOYSA-N 430.486 0.925 30 20 ICED COc1ccc(CN/C(N)=N/CCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 303970205 CKGXKFQTKMKRIQ-UHFFFAOYSA-N 427.509 0.637 30 20 ICED COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 429788643 JWNYXZILBDTIML-UHFFFAOYSA-N 447.517 1.185 30 20 ICED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 430073574 XWAVGYAVVXGWIK-OAHLLOKOSA-N 429.502 0.839 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 442331658 JGDMSNTUCZUSGA-UHFFFAOYSA-N 434.518 0.614 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cnn1-c1cccc(C#N)c1 443691304 RMVBAGJVTJGPPV-UHFFFAOYSA-N 444.517 0.914 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 446522815 MHEXXORCUXFJRR-UHFFFAOYSA-N 441.488 0.349 30 20 ICED COc1cccc(-c2nc(=NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)s[nH]2)c1 446528466 VIHJPKRHVGNHDA-UHFFFAOYSA-N 444.517 0.649 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460585213 OIYKRFVUEAJYDW-UHFFFAOYSA-N 433.428 0.519 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 461460650 OLUDMHBCNYDSNS-LLVKDONJSA-N 438.487 0.477 30 20 ICED N#Cc1ccccc1N1CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 462271549 LSRNLEGSXLGTOG-LJQANCHMSA-N 439.497 0.660 30 20 ICED COC(=O)CCCc1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 465252726 JYBCBKYSUFIDKE-GFCCVEGCSA-N 430.494 1.438 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(N)=O)C3CCOCC3)CC2)cc1 466649216 SWAKPAHYWOOBFL-LJQANCHMSA-N 448.545 0.746 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c(C#N)cn1CCOC 481351411 WXIBKTSMOHLGFQ-CYBMUJFWSA-N 427.483 0.468 30 20 ICED COCCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 481854593 ROHBWFNSTOHZIU-HOCLYGCPSA-N 443.547 0.277 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 500203889 AQZILMCVOLKQBM-MSOLQXFVSA-N 441.532 0.716 30 20 ICED COc1cc([C@H](C#N)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 505482476 ZCRSGZTXLIPTLQ-OHVKNCAHSA-N 443.456 0.946 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 508935448 YWJKMJJJQUDZSE-UHFFFAOYSA-N 429.502 0.840 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512877896 KGFOJNZSQZLXSG-UHFFFAOYSA-N 441.467 0.490 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)n1 519038985 UTZJRFPHHZYNIZ-GOSISDBHSA-N 445.483 0.960 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 531969975 IKIBUPROZWFCLB-ZDUSSCGKSA-N 433.511 0.871 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 535328838 DYOKAPRIIHCYPK-MRXNPFEDSA-N 429.546 0.632 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCSC)c1=O 549549961 FKOYYXODTYZRFG-UHFFFAOYSA-N 447.586 0.287 30 20 ICED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 549741105 ZDFUGWQJLIDUSW-UHFFFAOYSA-N 445.472 0.953 30 20 ICED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 550600613 JBWVRWLOVBUTEJ-CYBMUJFWSA-N 426.477 1.121 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 551302213 URPQWNOYERCIQZ-IBGZPJMESA-N 440.525 0.813 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)n1 553967581 SMGAOELPIKHRGD-MRXNPFEDSA-N 429.506 0.716 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 555954036 RZZLMXNBHBMHCB-UHFFFAOYSA-N 427.490 0.534 30 20 ICED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Oc1ccc(Br)cc1 556405788 DLKOTOGTEFYQBX-ZIAGYGMSSA-N 448.295 0.428 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 561783110 IISRFWSTRKSWFS-YVWKXTFCSA-N 448.495 0.719 30 20 ICED CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1(C)C 571576524 DHMPJOGONZZGND-GOSISDBHSA-N 444.555 0.925 30 20 ICED COCCN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868725 RGGHDRDCXNQYTP-HXUWFJFHSA-N 435.484 0.846 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 609336372 GZVCKAAMQNEKJA-UHFFFAOYSA-N 431.522 0.567 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803035 VQIDGICCYHAMHO-INIZCTEOSA-N 448.487 0.851 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1=O 684988490 XXVXNYQCIADXIH-JLSDUUJJSA-N 437.518 0.064 30 20 ICED C[C@H]1Oc2ccc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)cc2NC1=O 728091350 AAZUETGISNIWNO-GFCCVEGCSA-N 443.437 0.982 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 733148746 KIJOATGSPSUHME-SFHVURJKSA-N 430.936 0.972 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCOC 735069350 TWDBRXQOBLKBSU-UHFFFAOYSA-N 433.505 0.660 30 20 ICED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 743182708 BHIKZBGTYJXNRA-ISLYRVAYSA-N 444.473 0.924 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C3CC3)c2=O)cn1 743726395 PMLSEEIVBXIPAP-UHFFFAOYSA-N 439.497 0.500 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 743889876 DFWRKPJNQWKSOV-UHFFFAOYSA-N 440.497 0.507 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C#N)cs2)c1=O 758049609 IURMFOARWVMIJZ-UHFFFAOYSA-N 426.548 0.555 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)c(Cl)c3)n(CC(N)=O)c2=O)c1 773280619 AYRMLNUAQUMVNW-UHFFFAOYSA-N 444.875 0.912 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@@H]1CCCO1 773797045 MOLLQCCJJURTRY-AEFFLSMTSA-N 435.502 0.251 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782482944 NBYFAMHDQQXWRQ-IHLBYEDJSA-N 449.533 0.565 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 783478269 CDBPTHTWAPKGFT-HNNXBMFYSA-N 441.937 0.868 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCCCNC(N)=O)CC1 785572139 LKLUMJWDAYULTR-UHFFFAOYSA-N 444.448 0.837 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1=O 798545808 IBWFGIQYBZCXFV-KRWDZBQOSA-N 425.482 0.706 30 20 ICED C[C@@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 799863482 WRGSIAMRKNDLNW-XHDPSFHLSA-N 449.508 0.860 30 20 ICED C#CCN=c1nc(N(C)[C@@H](C)C(=O)NC(C)(C)C)[nH]c(N(C)[C@@H](C)C(=O)NC(C)(C)C)n1 804623832 XEQZBPDDZFULHV-GJZGRUSLSA-N 446.600 0.817 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnnn2C)cn1 807936474 NPGGEOPYMYSIHC-AWEZNQCLSA-N 440.493 0.982 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H](C#N)C1 811041902 DCRYLFKMRLHKFF-GDBMZVCRSA-N 433.490 0.712 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(C4CCOCC4)nn3)CC2)o1 811305334 PLFBRZWPONWIIE-UHFFFAOYSA-N 429.437 0.303 30 20 ICED COC[C@@H](C)[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812622410 HBKXZZSPEHZUIP-CVEARBPZSA-N 437.518 0.853 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 893447605 HJNJWNXKCCXQSB-ZFWWWQNUSA-N 439.490 0.701 30 20 ICED O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 918130272 ONJRZOYNUBJYBV-CQSZACIVSA-N 427.486 0.997 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1140627098 PGXCGKODLJTUTL-QGZVFWFLSA-N 439.472 0.842 30 20 ICED COC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1219809013 JLGDNHYPMNXZMP-UHFFFAOYSA-N 432.462 0.617 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1264322259 WPKQSQVUGURUAO-ZDUSSCGKSA-N 436.519 0.971 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1297954589 LFZOKWWQXTZVNO-XFQAVAEZSA-N 446.531 0.614 30 20 ICED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1298911956 PMKWJELVCDQZAA-UHFFFAOYSA-N 427.494 0.075 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1305252391 SQEAYRMKJVIZPD-VFNWGFHPSA-N 426.477 0.547 30 20 ICED CCN(CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1313800391 QHOYGNWZFNBEJZ-QGZVFWFLSA-N 429.522 0.530 30 20 ICED CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)CCn1cc(C#N)c(O)nc1=O 1596010310 YUHZIOWVFIYMDR-LLVKDONJSA-N 425.371 0.585 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1617710323 ZVIGEPRPIPJSPM-INIZCTEOSA-N 445.505 0.349 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619911326 PVGWMUDQBQAKGN-FQEVSTJZSA-N 449.533 0.870 30 20 ICED CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1620134339 OMACXGJQUHKHGT-QGZVFWFLSA-N 434.522 0.845 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1698484605 SVFXEEOACKURTQ-RHSMWYFYSA-N 427.502 0.554 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1747449697 QUNMDLKUNTUCOJ-INIZCTEOSA-N 438.485 0.664 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCN2C1=O 1748053749 SYNUEDKHYCMGAI-MRXNPFEDSA-N 429.506 0.417 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CCN1S(C)(=O)=O 1750350434 SCPVFDDMKKHSMO-AWEZNQCLSA-N 431.522 0.375 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770732537 ZJDJAXDXQQQFSW-SFHVURJKSA-N 434.497 0.646 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1778266496 IWZQDIDVFJPEAZ-HSZRJFAPSA-N 425.533 0.444 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236114 NEQAOJQUGKYIOW-SPLOXXLWSA-N 445.428 0.805 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780802913 MFQDYIDNYBJOJB-GPMSIDNRSA-N 431.555 0.736 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)cc1 1783443240 OWRPAJWENQBKBW-BJLQDIEVSA-N 435.484 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21 1783530952 YBQNCKMXUSHOHC-DTCWFGKNSA-N 437.500 0.786 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784517669 FGPMEVPWWLRFNR-QUSNUVHPSA-N 430.567 0.220 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784517677 FGPMEVPWWLRFNR-XAJHFOFHSA-N 430.567 0.220 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784582283 ZIGKIUHEHPZSIK-LAQRGFTBSA-N 428.445 0.025 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1784740816 MJBVYVJTNVRQGJ-NRFANRHFSA-N 433.530 0.755 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376176 LARPAVXWGAUGPL-KSFYIVLOSA-N 428.489 0.682 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)c1 1786693098 BEADHGLVZRFHTL-SZMVWBNQSA-N 431.514 0.987 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c2c1CCC2 1786858411 OCJLOIVCEXHAIW-IEZWGBDMSA-N 442.564 0.784 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786859117 LYNDDTLKJGGESU-OROIIQQLSA-N 431.581 0.588 30 20 ICED O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661647 WVKNAEIUXBBOST-AQHUMLDOSA-N 443.522 0.313 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789805581 WOYVIJWRZBMADP-ACRUOGEOSA-N 448.608 0.729 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 1789892481 VXINFCQDDJTMKD-LNLFQRSKSA-N 448.520 0.632 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906558 ITVNGAGYAWELMF-CBVHJVASSA-N 445.495 0.666 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cc1 1790783236 YSUTVFFOYSBAFU-WDSOQIARSA-N 433.530 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792773657 NTKUAJHJCDKSSP-VLTQWEFMSA-N 429.473 0.219 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)N(C)C)cc1C#N 1795466306 PNCREVKWFBXGHQ-IZZQQSIFSA-N 428.489 0.637 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795583275 QRJOVBMKVMBWIB-QKPAOTATSA-N 435.525 0.122 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)C(=O)O 1795639041 BXWWVPFYYJWKCN-PFIDOAHMSA-N 435.502 0.139 30 20 ICED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997654 XXLDBQVIOADTOJ-DRXBFXEBSA-N 439.394 0.311 30 20 ICED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795999291 JTOYFQOVCKTFEL-MCYUEQNJSA-N 439.394 0.310 30 20 ICED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)s1 1797811459 OZDKKNRNMNLIDM-YSVRVWLWSA-N 437.522 0.508 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829195 BIBRNRBNANNJCP-YWVIFJGQSA-N 426.420 0.514 30 20 ICED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1799290663 OXRCOOBQECQXMJ-OHTBPHCPSA-N 439.394 0.310 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)ccc1F 1799324914 RVAXIULKRQXAGG-OPMZPASUSA-N 446.548 0.878 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1799682066 BYCXTIHHRSCWMG-SFNKJDCFSA-N 444.488 0.605 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3cccc([N+](=O)[O-])c3)CCC1)C2 1800778603 KBGVHOKZZTYXHH-YVWYUNDQSA-N 441.440 0.694 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801990152 NRKGSPYXWNRKHK-JJTUDDRGSA-N 449.504 0.331 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1802023848 YLUFCRRMBSBCCV-PDOICOKGSA-N 442.516 0.625 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802096670 JUAHONQVSRZRDX-HAGHYFMRSA-N 442.553 0.912 30 20 ICED 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)C1)C2 1802126589 LPZRKKVDESIJAV-MVJTYMMSSA-N 433.505 0.472 30 20 ICED 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)CN(C)C)C2 1802139692 BPUBYVDSIGAMIN-PZPPHJHLSA-N 436.553 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1802482662 OPCBMMUQHWJZIE-JCJKFKTASA-N 441.532 0.278 30 20 ICED CC(C)c1nc(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1804414911 ZZXBWEGALMEUKW-YWZLYKJASA-N 425.445 0.925 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1810291453 GFHHRABJTAXUKZ-JKRKXNATSA-N 437.504 0.956 30 20 ICED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#Cc2ccccc2)n[nH]1)C(=O)C(=O)O 1816957505 SXWLATNYEOTSDF-KRWDZBQOSA-N 437.456 0.997 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)NC(=O)OCC)n[nH]1 1819237167 AYWHHCPIHUQLDV-KZXUOUFKSA-N 448.480 0.325 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1823742866 NUISEURUPQVQBZ-QWPQOLDESA-N 425.551 0.509 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1829748588 BJEZSGFWDPFQQI-CXAGYDPISA-N 429.568 0.604 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1830461411 HGNLFJPVVPNULY-QFIPXVFZSA-N 438.488 0.239 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831201564 RUURVOKONUYLJA-QHCPKHFHSA-N 442.516 0.935 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1831407330 VBDAGPSMVVCKQU-UTKZUKDTSA-N 425.526 0.292 30 20 ICED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831836291 HSFVVNHMXPLVGO-DOTOQJQBSA-N 431.624 0.655 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cn1 1831952610 IKTOJPZLXOJFSS-KKSFZXQISA-N 434.493 0.961 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832340305 JKOJVLIQIJHGIA-AVRDEDQJSA-N 436.553 0.684 30 20 ICED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1C(F)(F)F 1833324167 GBVJVGULWBKIHY-LJQANCHMSA-N 440.422 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626957 WZDABNKMIBLRTJ-UHFFFAOYSA-N 448.564 0.690 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CNC(=O)c4ccco4)CC3)CC2)CC1 1834868103 DTIWEZANJQUUOF-UHFFFAOYSA-N 427.505 0.885 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1835098263 FMDSGJXHOZHGKC-FQEVSTJZSA-N 436.411 0.605 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100288 KVXXWSGPJKLPDQ-DVECYGJZSA-N 449.511 0.785 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(C(F)(F)F)n1 1835359961 RFPOMIISQAWCHQ-KRWDZBQOSA-N 429.399 0.813 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1 1837065683 KCYHFXUWZTXIDI-UHFFFAOYSA-N 433.505 0.476 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837391318 KMUAWOVBESIECR-DYESRHJHSA-N 441.594 0.065 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c(O)n1 1837445272 NHIZORXTQQHACF-XMHVBLFMSA-N 445.520 0.637 30 20 ICED Cc1ncc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837447857 VXDARUXOUDPEIC-DUYDGHCJSA-N 449.577 0.922 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567403 JECFBIIJILLWLW-HPARJBSBSA-N 442.472 0.376 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837743217 BESXDJXNRINALN-AOMKIAJQSA-N 438.488 0.852 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1838314661 ZNNXUTLXNJOLDM-FQEVSTJZSA-N 430.848 0.845 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838646661 RMIRMBXFMJMFFH-UHFFFAOYSA-N 445.516 0.945 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795832 QQBABFKJNLJMMP-YWZLYKJASA-N 431.518 0.656 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839237439 JMMYSLKGILOBAP-FQEVSTJZSA-N 428.424 0.059 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688837 RYGUDOPQSZCGHS-HNAYVOBHSA-N 426.416 0.866 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2)C1 1839806319 JVNWCDCRFKMCFF-OAQYLSRUSA-N 439.509 0.007 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)C(=O)O 1840838954 HYVZMOGYEVUJSG-FPIZWNAKSA-N 427.457 0.854 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840861408 LVZFHMBHUCVTAV-OAQYLSRUSA-N 430.432 0.402 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843818206 NRGWKINDDLDFFJ-OAHLLOKOSA-N 435.477 0.304 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCOCC2)cn1 1847263096 ZLQXLYJZZQNWKY-XHHZUUQWSA-N 439.516 0.592 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 428269278 UTOLCGCFUHNERU-UHFFFAOYSA-N 437.459 0.557 30 20 ICED N#Cc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)o2)cc1 438716249 QZWPHSGSEXMPOW-UHFFFAOYSA-N 442.457 0.807 30 20 ICED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 441651813 NDTUKLLSEQWCPL-UHFFFAOYSA-N 442.451 0.917 30 20 ICED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 441995670 AXDNCISMAZLLMX-MRXNPFEDSA-N 433.424 0.458 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 444511421 YEOPUMNAJAWWGI-UHFFFAOYSA-N 428.456 1.504 30 20 ICED COc1ccc(CNC(=O)C2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444530264 WVFBSJJEFOOXSR-UHFFFAOYSA-N 438.488 1.299 30 20 ICED COCCCS(=O)(=O)Cc1noc(-c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 445860437 ANGFGTJUVRLFMH-UHFFFAOYSA-N 428.492 0.798 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1 480469141 PGOQUXIJTDIXKZ-OAHLLOKOSA-N 429.502 0.773 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 480475812 XHCSGOCWQVCSDH-CQSZACIVSA-N 447.517 0.596 30 20 ICED Cc1noc(Cn2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2=O)n1 486017965 OJQKUZQHQBHKMR-SFHVURJKSA-N 432.440 0.991 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)c1 488762506 DESKKFPUEZMCSE-UHFFFAOYSA-N 447.473 0.277 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C)cn2)c1=O 488973435 GXPCTWHDAYYJGB-HNNXBMFYSA-N 441.509 0.675 30 20 ICED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2=O)cc1 503843000 FLKSICUNSLBYIY-KRWDZBQOSA-N 434.499 0.680 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 504266147 QWBDATNTMMEFDM-UHFFFAOYSA-N 429.440 0.888 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nn1CCC#N 504530197 PWFNMDIHTGJCQW-IRXDYDNUSA-N 443.552 0.692 30 20 ICED C=CCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508706295 ODZOSWHKDHYZOQ-IAGOWNOFSA-N 449.581 0.946 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccn2)c1=O 512742327 LTQAVRKVWLDTHZ-UHFFFAOYSA-N 434.525 0.546 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 516812249 VQTNSFMEGFDDMN-UHFFFAOYSA-N 444.473 0.879 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524281844 CLIIXLJEBIKCEJ-UHFFFAOYSA-N 449.448 0.445 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n(CCC#N)n1 532998678 OOBFSTMSHYDIOR-CALCHBBNSA-N 443.552 0.692 30 20 ICED C=CCNC(=O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 540793331 PLGGDHLAXJRNTG-UHFFFAOYSA-N 436.534 0.027 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541147025 PYHRIKIYNQHZQS-HIFRSBDPSA-N 448.480 0.656 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccccc1C#N 542010654 DAUQARJWAZYAJY-UHFFFAOYSA-N 437.462 0.989 30 20 ICED CN(CC(=O)NCCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(C#N)cc1 552332799 GNUGHWRRIQQIJT-UHFFFAOYSA-N 440.481 0.981 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1 552379261 IFNDXDCFERIAET-OAHLLOKOSA-N 434.440 0.871 30 20 ICED CNC(=O)COc1cccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 554289423 BYPGCCVPWKWRHH-UHFFFAOYSA-N 425.493 0.757 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 562155539 BVDOOCIFLLMYMQ-GOSISDBHSA-N 439.516 0.935 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 580861842 SAAUBBIQIHMHCG-CQSZACIVSA-N 443.533 0.896 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603795912 OOZMSKVHPMEIER-UHFFFAOYSA-N 442.497 0.836 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 609942112 AZOQVSNAJUYVNZ-UHFFFAOYSA-N 428.474 0.196 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)n2)cc1 610531304 JAVDQULPSNRVHJ-IBGZPJMESA-N 437.504 0.850 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 611005587 DKSBXLVBQGRIHJ-LBPRGKRZSA-N 434.396 0.588 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 726962092 OIZATAAWYOHZQZ-UHFFFAOYSA-N 438.513 0.455 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1 730894277 IFUPIVSVPNXBNS-UHFFFAOYSA-N 432.433 0.782 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 733650517 QJHLSVIUEZSOEN-VXPUYCOJSA-N 446.552 0.537 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(O)CCN(Cc2ccccc2)C1 743766118 MYMQNXZTFUAZGP-JOCHJYFZSA-N 442.541 0.868 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C 745540055 IFIGPSBCZXYXMX-STQMWFEESA-N 426.495 0.923 30 20 ICED C[C@@H](C(=O)N(C)CCC#N)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 746493249 RVTAYHGYOWAVLS-HNNXBMFYSA-N 443.570 0.314 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 747977744 XTIWQWMDEYRHOM-ZESIPNTPSA-N 437.522 0.998 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749379417 NYKMJWZPFUWDHV-UHFFFAOYSA-N 433.534 0.580 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CC 766050149 AGOCYLDSFHJTJB-UHFFFAOYSA-N 431.430 0.775 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 780279625 TUJCHDQFNCNPMP-OQKWZONESA-N 449.533 0.517 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)nn1CCC#N 785222574 HLJPPDQGTDSHMW-HNNXBMFYSA-N 433.513 0.711 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCC(O)CC2)CC1 795646135 MOLNLMHFYMJVHZ-UHFFFAOYSA-N 435.502 0.485 30 20 ICED C#CCNc1nc(N[C@H](C)[C@H](C)N2CCOCC2)nc(N[C@H](C)[C@H](C)N2CCOCC2)n1 804432199 VFXUBQWFSROLJU-YRXWBPOGSA-N 446.600 0.959 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc2c(c1)CC(=O)N2C 804573037 VKTUOYIJFPALOM-HNNXBMFYSA-N 432.484 0.998 30 20 ICED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 805017154 PXPKJLJXMKBPJW-UHFFFAOYSA-N 430.280 0.717 30 20 ICED COC(=O)c1cc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)on1 814696658 LSIYZJUXRBHIOM-UHFFFAOYSA-N 439.406 0.836 30 20 ICED C#CCN1CCC(C(=O)NC[C@@H](NC(=O)C2CCN(CC#C)CC2)C(F)(F)F)CC1 819463909 MPZIUAAWWRSLBC-GOSISDBHSA-N 426.483 0.840 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 834848811 ITBBMTJTLGBVED-HNNXBMFYSA-N 444.531 0.343 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2C2CC2)CC1 839375515 HWGHOXIHEPDDQK-UHFFFAOYSA-N 440.573 0.262 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(C)(=O)=O)CC1 843500937 DKAZWIJRJLNKHU-HNNXBMFYSA-N 442.563 0.244 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 849059031 CYLSZKSSLXIVJH-LJQANCHMSA-N 433.553 0.358 30 20 ICED C#CCOC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916600836 LWWQMSUVXRGJPP-QGZVFWFLSA-N 440.543 0.735 30 20 ICED C[C@@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 919624572 RKUCOENJEIUTNH-CQSZACIVSA-N 430.486 0.908 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1304912162 OZQSKPSQFAPONJ-HNNXBMFYSA-N 437.504 0.922 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1314144285 ZTFLFVUMDNEFLN-KXBFYZLASA-N 441.554 0.872 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N1CCOCC1 1541926743 WYIATDHVAVHCRR-HZPDHXFCSA-N 439.586 0.739 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1554451850 PGSKWIVPXCYMRW-SFHVURJKSA-N 440.504 0.985 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1555012440 RYQKWAHQDBVJGQ-SFHVURJKSA-N 426.477 0.931 30 20 ICED CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555151070 SJSSAMCJRPEOTA-PXNSSMCTSA-N 431.518 0.982 30 20 ICED COc1ccc(Br)c(CS(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1663203021 YAYJYNIQPZLBPD-UHFFFAOYSA-N 443.279 0.711 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 1692849748 LFHFLSIEJGBLPI-UHFFFAOYSA-N 427.513 0.818 30 20 ICED Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751809906 YPKRACKOAASTKD-PBHICJAKSA-N 447.569 0.270 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586479 KDAWBZRLQWWJQZ-WJONJSRFSA-N 442.520 0.825 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1778971575 QPNYDAJWJIDCDM-VGSWGCGISA-N 431.489 0.885 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1 1779066101 BEACVYMVCSKEAL-JOCHJYFZSA-N 428.489 0.627 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779318350 JZEWLSJDFYUTJX-SIKLNZKXSA-N 446.479 0.221 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)cc1 1780061196 ZMVARXMRWBJRGR-HSZRJFAPSA-N 444.451 0.718 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1c[nH]c(=O)cn1 1780121989 LXZXHENSZPZJAC-ZMUFDVHQSA-N 427.461 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1781269311 KIPNGDCISCTTMI-NRFANRHFSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1781270347 IAFNLPNMBDMVEL-NRFANRHFSA-N 448.476 0.052 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cnnn1 1781302229 LOJCZWSAEQONAX-VBKZILBWSA-N 427.440 0.317 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783112858 XGQQYZBUCRATIC-CKJXQJPGSA-N 425.526 0.914 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1784013072 GDLBHPQLGYGKSK-FDDCHVKYSA-N 427.501 0.855 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(C(=O)OCC)c3)C[C@@H]21 1784485506 NVXCRIQNJYYQIY-HYJFEMIMSA-N 443.500 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4ccnc34)[C@H]2C1 1788364268 HZQCVBUBHIGXRQ-OIMABFAESA-N 437.500 0.786 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142831 MJYMAECINFUVLY-CGBFIWBNSA-N 444.488 0.410 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1791261456 VHSZNRZNEIYDCC-DUPGQFARSA-N 427.548 0.397 30 20 ICED C=CCC(=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 1791278833 PAHNXXPFMCJSOC-ACTFIFLWSA-N 437.537 0.914 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792495458 FKMCOJOGNGIPPU-XOIINTDNSA-N 428.493 0.613 30 20 ICED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1792940135 VZCGECSMWFTVJT-BJWYYQGGSA-N 446.471 0.569 30 20 ICED C=CCO[C@H](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 1793354962 VHMQRYMASYCNGE-ZXFNITATSA-N 434.493 0.957 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796321164 NKLICIIIPGZOJX-YXPYIKCWSA-N 439.476 0.085 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc2[nH]ncc2c1 1797345856 WRERGASNANXNHA-RFQMQIJISA-N 442.476 0.690 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797781269 FCYQRWWQKKWMNH-CWPLJXCYSA-N 428.489 0.387 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797966426 PGVYLZLIZJSVJE-IIZPIQPGSA-N 442.516 0.232 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590216 OFMBCXCNEGXTQA-LORHWOILSA-N 448.907 0.566 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)ccc1F 1799327576 XYZLJGIULBAAOL-UPHUGPLXSA-N 426.452 0.511 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCCC2=O)c1 1800893543 KNQZQCLUKCSNDB-OPMZPASUSA-N 440.500 0.783 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c1 1801120515 IOSXZMXKWDRRFA-FDFFUELDSA-N 436.468 0.442 30 20 ICED 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(C)=O)C2 1802124671 DVHJRHOWNYGXAA-SFNKJDCFSA-N 435.521 0.862 30 20 ICED 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[nH]n1)C2 1802128980 WWXMJLOCRFCKJT-HIRMHNASSA-N 445.520 0.458 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810360538 OVQUUZRHQURQOY-ZWEMHGAESA-N 445.476 0.725 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(F)(F)F 1812679125 CQLLFOJKBUSDPM-LZLYRXPVSA-N 442.438 0.857 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1813336176 JRLXQTGOXAYYNG-DFQSSKMNSA-N 449.515 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CS(C)(=O)=O)CC1 1826625777 PYOMEOTWFCVTFH-ZPUOCTKUSA-N 425.551 0.509 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829860786 UOQYJJCOUAHHDE-UGKGYDQZSA-N 428.489 0.543 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829903350 PWMABLNXUJCMDM-JPZYQRIQSA-N 447.557 0.716 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831267520 XSANHRPOROFPPK-JOCHJYFZSA-N 428.489 0.083 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831694757 SESCELDVPRRKBJ-QHCPKHFHSA-N 442.516 0.791 30 20 ICED Cc1ccc2[nH]cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1832743378 FGHWMPVYPOSZRJ-QHCPKHFHSA-N 439.468 0.563 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793372 KREADRGGGHTXJT-SJLPKXTDSA-N 441.510 0.202 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccc3C)CCO2)C1 1833007963 LTGQDSYNDJUEPP-XXBNENTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833358461 DCOIUHXCAYROMO-VGOFRKELSA-N 430.505 0.256 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471347 DYEXAHGXYMCYGR-QHCPKHFHSA-N 437.452 0.207 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833502898 OMGMJYNNXKAZPW-OAQYLSRUSA-N 434.493 0.538 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833657095 XWCXCNOYPXHGIB-QRWLVFNGSA-N 431.518 0.656 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cnn1C 1834424850 KWCHORAOSZDPHK-CMEFWWCBSA-N 449.508 0.328 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835672652 FXAJOEVUDSUCBA-QFIPXVFZSA-N 445.520 0.904 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835706777 REWRKHJALMDSJF-QPPBQGQZSA-N 449.511 0.918 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1ncon1 1836045920 KRALNVDEWGMFHH-UHFFFAOYSA-N 429.521 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053141 TZEWUDSYIWWOQF-JOCHJYFZSA-N 446.504 0.375 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCCS4(=O)=O)CC3)CC2)c1 1836171591 QCBNNCAFBZYJPG-LJQANCHMSA-N 447.561 0.649 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190574 RNDMHYOCTINVJC-NMWDDECMSA-N 429.521 0.552 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)N1CCN(C)CC1 1836371466 UHMROUSMVSKHBD-GOSISDBHSA-N 432.613 0.744 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1837397656 YSQMIKGEAGAMPD-XMSQKQJNSA-N 433.505 0.733 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837402790 FEDVNYRDIGYUPU-XXBNENTESA-N 442.516 0.977 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441261 YKJMEBXLRFFDAV-XMHVBLFMSA-N 446.552 0.428 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837488577 LHQIIWPYLHBTPP-JOCHJYFZSA-N 428.489 0.245 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524331 FYCBTSDZKQQSFW-VDYVLHGJSA-N 436.465 0.582 30 20 ICED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1C 1837564414 LXKKBNSNHFCQAD-HPARJBSBSA-N 443.504 0.994 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1837766688 OHJGBZISFKCVOS-QGZVFWFLSA-N 429.351 0.192 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949299 NLLCXERSNCMDIW-SFHVURJKSA-N 440.403 0.456 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1839889375 RNIJVBSVJHPTSQ-WWNBULGVSA-N 427.492 0.994 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839952895 IPRLXBUNJUWKPX-FDDCHVKYSA-N 430.501 0.732 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840293219 MXJQPWTXHSXQJK-QFIPXVFZSA-N 425.489 0.993 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840568228 JRNGOJGODOQCIG-HSZRJFAPSA-N 444.532 0.734 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1841054932 TVMCQGHFYVYJGD-NTMALXAHSA-N 427.505 0.349 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304565 OAPCBEPMORZFCB-KRWDZBQOSA-N 439.516 0.263 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224258 XNXCBRXUEUDCDX-HNNXBMFYSA-N 445.520 0.763 30 20 ICED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)c1ccccc1 1846033983 MKWKNUVFZJSYMS-OAQYLSRUSA-N 427.545 0.674 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 409580538 GMXGTYUHXQQBKN-OAHLLOKOSA-N 432.424 0.932 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CCO1 410396902 FALWIWNCCUUSIH-JTDSTZFVSA-N 430.490 0.954 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)s1 435427069 LARXTWLCJSHNSV-AWEZNQCLSA-N 433.577 0.520 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443272092 GFBCAUUFZYNSNL-GFCCVEGCSA-N 434.396 0.936 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 465317556 OCHCBUDGXOPQOF-INIZCTEOSA-N 437.566 0.184 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 475498945 ZHIYBXANBKLXAD-OALUTQOASA-N 448.545 0.654 30 20 ICED CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 478179712 IXRPPPOVCLOPRI-HOTGVXAUSA-N 426.433 0.647 30 20 ICED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 480306643 IVNRLDGOUXCAPO-FQEVSTJZSA-N 426.454 0.898 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 508334032 ULEMXHWBEZAHBR-UHFFFAOYSA-N 442.451 0.991 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1)C(N)=O 508962632 AMKBLFSYNKQFJR-UHFFFAOYSA-N 431.497 0.067 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 512363975 XRQAXUPRKNNLRJ-ZWKOTPCHSA-N 431.518 0.728 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513318417 ZJRRCIYKMAEATE-GFCCVEGCSA-N 434.453 0.362 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 516372748 OJPIPWIBTQJVTL-HNNXBMFYSA-N 441.557 0.226 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccnn3C)c2=O)cn1 523182594 SUQKCGQJQRGNOD-UHFFFAOYSA-N 446.496 0.386 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1[C@@H]1CCOc2ccccc21 525777963 PFXQVYZXFDBDTO-QGZVFWFLSA-N 432.461 0.995 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)ccc21 526096680 SZJVXMDQEWHFPI-UHFFFAOYSA-N 439.476 0.429 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccc(OC)nc1 531909605 WCUUMQWSGYRUDT-UHFFFAOYSA-N 428.495 0.622 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@@H]3C(N)=O)n2)c(F)c1 541140302 JYLOPUQZBOOKJW-MRXNPFEDSA-N 427.440 0.278 30 20 ICED C[C@@H](NS(=O)(=O)N(C)CCC#N)c1ccc(CNS(=O)(=O)N(C)CCC#N)cc1 541313676 YKJMUIUWYXQAKF-OAHLLOKOSA-N 442.567 0.607 30 20 ICED CN(C)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 554719533 XZORSLPINWGFDL-QGZVFWFLSA-N 427.548 0.050 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1 559959891 XYFDBGGQNKRNLM-AWEZNQCLSA-N 430.408 0.554 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 572448901 WQXSAGDHASPRNJ-HNNXBMFYSA-N 426.454 0.680 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C2=O)cc1 574073119 GXSIZBKLHXOKKE-KGVIQGDOSA-N 442.541 0.946 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 581391641 PCYVKGXLYLJGBM-ICPLQIHGSA-N 440.500 0.966 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)CC1 588236359 IDBZPXKQMRVUNZ-IFMALSPDSA-N 438.576 0.508 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1 589295330 SOROPUHZMFLSIX-UHFFFAOYSA-N 432.424 0.754 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)n2)c(F)c1 589430588 TVXOBPHSPCXCGU-OGWOLHLISA-N 440.435 0.764 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 589494418 IZSHXYOHJYFPOE-LJQANCHMSA-N 437.481 0.626 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1Cl 609688016 LROGNHSVHGAIAE-UHFFFAOYSA-N 447.883 0.671 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 610531307 JECGGULFQJQOJM-UHFFFAOYSA-N 446.471 0.460 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 729763582 QXYNBKUZTLNXLL-UHFFFAOYSA-N 426.491 0.664 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2ncccc12 732909347 ABORKMSMMQCADX-HNNXBMFYSA-N 438.469 0.703 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)ccc2F)c1=O 735068915 JJIIKKTUMVJWJX-CQSZACIVSA-N 433.505 0.658 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739124835 WRYHCMYRUILYPU-YQFRBFJGSA-N 449.533 0.598 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 748042525 LWRYHALBPRKMNN-GDBMZVCRSA-N 443.525 0.634 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 749688973 VDIBUKFJRNWBBI-WSRQSJKRSA-N 449.533 0.565 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)c1 754160187 AJUWDEKIPGWSAJ-UHFFFAOYSA-N 425.466 0.966 30 20 ICED N#CCNC(=O)COC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 754503044 YOYBJZYVKWVVRY-UHFFFAOYSA-N 427.274 0.889 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC(F)F)c1=O 758077029 MBTGXTJEMNCZEK-ZDUSSCGKSA-N 447.463 0.799 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758079649 PDMNZNCAVHLVLX-UHFFFAOYSA-N 432.483 0.168 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)n1 758539801 QBAIDKVPQSXEMT-ILXRZTDVSA-N 431.497 0.974 30 20 ICED COCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 758765991 DEJRRQAAVDZELH-QLFBSQMISA-N 430.527 0.591 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 762941693 UDCFYTSWZGOBOI-ZDUSSCGKSA-N 444.469 0.184 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1cnn(CC)c1 767884813 USDXEAGWWRHXQV-UHFFFAOYSA-N 428.543 0.991 30 20 ICED C[C@@H](CC(=O)OCc1nnnn1CC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 768739563 ZEDDTUHWSPNXPD-ZDUSSCGKSA-N 448.505 0.660 30 20 ICED CCCCCN1C(=O)C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 771891233 KMZSYPGYHZERQA-UHFFFAOYSA-N 433.490 0.303 30 20 ICED C#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)[C@@H]1CCCO1 775323286 IYNLOPNCYBPVMI-HKUYNNGSSA-N 445.497 0.872 30 20 ICED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777897343 HPJMIRZQWOLDJV-LBPRGKRZSA-N 443.459 0.362 30 20 ICED COC[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)NC(=O)C#Cc1ccc2c(c1)OCO2 783734872 WLZQWMVKZLTVFL-SFHVURJKSA-N 448.431 0.795 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)cc1 785290025 JWOUKKOMROMAHM-KNKKCGMZSA-N 444.460 0.666 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)n(C)c1=O 786559794 IWTOTMKZRMHWTA-ZDUSSCGKSA-N 444.398 0.127 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)Nc3ccccc3S(N)(=O)=O)CC2)o1 796279713 RXZGBVCIJSQSJM-UHFFFAOYSA-N 447.473 0.900 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 915834552 OLSDTBCCVTZMEA-UHFFFAOYSA-N 442.563 0.204 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOC 916200519 DPWQERYDDLXQFH-UHFFFAOYSA-N 427.482 0.148 30 20 ICED N#C[C@H](C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917430743 DCUKEYJYNRHTKU-OAHLLOKOSA-N 427.377 0.757 30 20 ICED N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 920409113 SEJORTDTJUSKHL-QGZVFWFLSA-N 440.547 0.021 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921103675 LHXNZXZGLWGPCI-NSHDSACASA-N 430.508 0.309 30 20 ICED Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(C)c1 1147234092 LCHUVIIVTAARFD-INIZCTEOSA-N 439.472 0.576 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1303405230 MKKHXLBVOSSSRZ-SFHVURJKSA-N 442.568 0.995 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1323953229 QKPFUZKASRESOC-CABCVRRESA-N 428.474 0.422 30 20 ICED COc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1OCC(=O)N(C)C 1339493491 QQDMRHNKXADQAT-QZQOTICOSA-N 430.461 0.695 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C)cc(C#N)c3=O)CC2)cc1 1559426015 ZYIAZFSTGDDOAA-UHFFFAOYSA-N 430.486 0.570 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1618847594 YRRPAMBPSIRSLQ-KRWDZBQOSA-N 434.522 0.893 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1692784425 OZEXSNMSPXTEHU-NOZJJQNGSA-N 441.411 0.009 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1=O 1696880390 QBSBRAYTXUZNFV-UHFFFAOYSA-N 429.506 0.131 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1706870092 VRAKKVDDIXGOCQ-DEYYWGMASA-N 426.543 0.558 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1723645236 WYVADNSIIDEJAD-UHFFFAOYSA-N 438.536 0.552 30 20 ICED CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747559072 SBTYZBGQKKBAIZ-OWCLPIDISA-N 434.522 0.805 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3ncccc3n2)C1 1778662276 PODMXOYFOWEXMJ-RADWXHQJSA-N 425.489 0.895 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779068194 VULVCPMUXJMSPT-QHCPKHFHSA-N 442.516 0.808 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1779268839 FNDWRGRKMVUOPT-PEOGOYOCSA-N 432.521 0.867 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311868 PUWFAVJKKITELW-PNHOKKKMSA-N 443.566 0.818 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486196 NYEOYSXQBIKRFY-DRSNIGMVSA-N 432.521 0.330 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781860819 YNSHHIFMBBRXNN-QSBQYUSVSA-N 429.473 0.625 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1782182236 MCFDKJNMYRHNBL-IDHHARJASA-N 447.623 0.490 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nnc(C)s3)C[C@@H]21 1783529565 QTECCZOXMKGVIG-YPHDOGSUSA-N 447.561 0.617 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c1=O 1784733255 ZZVRYHUSBBFOGP-OXTUAAPVSA-N 429.521 0.450 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)cc1 1785645173 KYPUEBHHQFQHED-BXWFABGCSA-N 435.440 0.954 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(Br)n3)[C@H]2C1 1787726948 HUSJIZFDQPBFNB-NHCYSSNCSA-N 442.291 0.587 30 20 ICED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)CC1 1788637384 QOJZNGURKRGFSB-BZSNNMDCSA-N 432.517 0.618 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CCOC1 1789914152 XOELSCYRTBNRLB-OSAWLIQMSA-N 436.509 0.564 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789930000 XONMQVYNDUYGQX-CWVYHPPDSA-N 445.582 0.560 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4nccn34)[C@H]2C1 1790411127 QFCQGOIKIRQZOU-SAWCTPMISA-N 437.500 0.786 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078336 WEHHQWPUGZAUDY-XEZPLFJOSA-N 433.392 0.724 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]3C2)c1 1791773607 FEBHCTRJBMLAEE-WDSOQIARSA-N 433.530 0.895 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276144 HXVQAINJFMIXLM-IIZPIQPGSA-N 442.468 0.123 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)N(C(=O)OC(C)(C)C)C1 1796031798 ITIBJBKNMFPBNJ-FZKCQIBNSA-N 446.508 0.574 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2cn[nH]c2cn1 1797580677 UBHPHLMQDMOFKL-RIGITQAISA-N 442.476 0.690 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1797782699 JZAXIGWCJMPHJS-UPHUGPLXSA-N 437.500 0.631 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1797784219 PLSBWMUVZZZTHX-CCWDJLKJSA-N 442.472 0.077 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797784235 PVDBZUPHXZQNEF-DVMXCARBSA-N 447.532 0.804 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797812524 VFBKEZDFMICTJD-AEAKAJPTSA-N 435.525 0.577 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1799390433 RQDOWFDWECOHHH-AFIMGQEJSA-N 436.534 0.868 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)cc1 1800204229 YNEGUWGYLMJVEN-FAQVEIGNSA-N 437.456 0.265 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)cc1 1800984013 DUWMLIIVLXJKAP-ZXFNITATSA-N 426.560 0.677 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)cc1 1801142588 PGHJBTVTUBAFNN-RMYQPGKMSA-N 428.485 0.644 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1801595220 DJSXXLMWTDFMBL-IXDSVQAYSA-N 425.551 0.920 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804342695 QRNSJJSSCLFRTC-VKJFTORMSA-N 431.518 0.605 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)CNC3=O)[C@@H]1c1cccnc1 1810043636 UJDJWFAZFRVZQX-IERDGZPVSA-N 432.436 0.733 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(=O)ccn2C)[C@@H]1c1cccnc1 1811357526 DKYMKWORJYXELP-YRTIDYAOSA-N 449.511 0.958 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713368 VOVGNTQPYPCXTD-IHPCNDPISA-N 438.594 0.328 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCNC(=O)c2ccccc2)[C@@H]1c1cccnc1 1812883337 YQKHSFSZXXQAKC-WMZHIEFXSA-N 448.479 0.996 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CCC1 1814052864 JJNKWOVWZGONPJ-YJBOKZPZSA-N 433.472 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CC)NC(N)=O)sc2C1 1817011073 ZQXJQIUPCDXNLP-XPOJSHTGSA-N 434.522 0.360 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890430 RMNUPAMFXMONBI-HOCLYGCPSA-N 449.577 0.810 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819479179 DRXNFENQILVTNW-ALQCXSEESA-N 444.492 0.765 30 20 ICED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828580515 SZXQVHUIKNGROO-JPYJTQIMSA-N 442.516 0.436 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1828888432 FEPMEUPSMFMDCN-IAGOWNOFSA-N 437.537 0.722 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)C1 1829906394 YVSLMRWLMQHURT-QPPBQGQZSA-N 440.544 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808204 UMMIWEDGHNIMGZ-WZONZLPQSA-N 442.512 0.919 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c(O)n1 1830861577 JNFMQEQCVMZSPH-WMZHIEFXSA-N 447.532 0.993 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n(C)n1 1833448151 XNKQCZMUXMEAPT-QFIPXVFZSA-N 439.472 0.684 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768684 JTIQSLSLGMRUOS-HRAATJIYSA-N 436.509 0.756 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349669 PXMGASAZHGQKLQ-GAJHUEQPSA-N 440.500 0.565 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)c1ccc(O)cc1 1835534274 ZZWRWWONRBHHFS-FPGHNAPASA-N 443.544 0.940 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835621609 NGWPGTCAIHNQKO-JOCHJYFZSA-N 439.472 0.750 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCCC1(F)F)CCO2 1836629594 KMWVCHGXADLPQF-MSOLQXFVSA-N 432.395 0.448 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1836694307 CPRPNLJXRKGYDX-JOCHJYFZSA-N 448.447 0.311 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837286068 BLPZWDLEWBXDAD-WVVIERHYSA-N 447.580 0.255 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528374 ICKVSJFQRODEAE-XGVOGHQPSA-N 447.492 0.384 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837528412 JMGPEISIIHRKHZ-PIVQEWKSSA-N 446.504 0.989 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnn2)CCO3)c1 1837874857 NJIBFWDWHYZQRJ-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568983 PYOMPQJSAIPHOA-QFIPXVFZSA-N 432.473 0.482 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nn[nH]c4C(F)(F)F)CCO3)C2)C1 1838761699 LJWLWWCJIJLCMF-KRWDZBQOSA-N 429.399 0.860 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)ccn1C)CCO2 1838815717 RCSRGADMXCONGU-QJKPHDSHSA-N 430.505 0.262 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840018625 BSAVQHMGAVFQIS-QKZPVBNUSA-N 448.520 0.469 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041454 NFCMTBJGMGECCM-QFIPXVFZSA-N 430.457 0.172 30 20 ICED C[C@@H](Sc1cccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042161 FMULVHGKBAUOOS-AUUYWEPGSA-N 438.527 0.773 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840425722 BSHPUGWESZLNFS-AOMKIAJQSA-N 439.472 0.819 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840431867 TXLJRCMDYMUBFO-NPPFBWRTSA-N 434.537 0.549 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840712965 YXUBFCALWAYNNC-ZHRRBRCNSA-N 428.489 0.520 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840840503 VIYCOQMHESTCBC-VGSWGCGISA-N 435.521 0.866 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103841 JXRRCYIJARAUDL-QVKFZJNVSA-N 430.509 0.951 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 410410672 XGXLNGLCRDDTCB-UHFFFAOYSA-N 426.520 0.390 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N 439347457 VWIVSEVNOLILRM-AWEZNQCLSA-N 438.506 0.805 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1 442086328 XHUOCCVNGAFBLN-AWEZNQCLSA-N 425.449 0.173 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]1C(=O)OC 442108506 ASYMOPQYISOZIZ-HOCLYGCPSA-N 437.474 0.364 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 460607437 GIFQEZBDOOQCQX-UHFFFAOYSA-N 449.446 1.461 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461362056 OZIAWXFJPIGCIQ-CQSZACIVSA-N 440.525 0.854 30 20 ICED Cc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1S(=O)(=O)NCC#N 461368801 YEAJLFUNJOQCGP-HNNXBMFYSA-N 430.490 0.456 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC(Oc4ccc(C#N)cc4)C3)ccc21 461737113 NDMORYOHFASFDV-UHFFFAOYSA-N 434.456 1.152 30 20 ICED CNC(=O)c1cc2cc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc2[nH]1 472688830 RKYYXQQNEXKDEY-UHFFFAOYSA-N 448.487 0.728 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 473664066 UCKGJDKEENEJKZ-IBGZPJMESA-N 437.500 0.342 30 20 ICED COC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 474224486 DQQLCEUOIRJGQS-UHFFFAOYSA-N 448.545 0.809 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)n2)c1=O 479381621 KOSKFNOQQKNMAD-UHFFFAOYSA-N 442.497 0.048 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(C)c1 486001257 JCTLWHOMCVBODR-QGZVFWFLSA-N 429.502 0.678 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)C1=O 499014815 LWPSJOWLQDISQO-UHFFFAOYSA-N 427.505 0.417 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503118829 QHUPRNLHOXDKSE-RCCFBDPRSA-N 433.534 0.819 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 505977352 SDYDNJHXNIRDRX-MRXNPFEDSA-N 439.520 0.625 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506911656 XXMQIPIJYHPZHW-UHFFFAOYSA-N 447.517 0.652 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COCC2CC2)C1 508938865 NSYUBCNXUXBDNT-IRXDYDNUSA-N 441.554 0.429 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 517267719 HCWFEZUNMMZVPC-UHFFFAOYSA-N 448.526 0.330 30 20 ICED COc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 519494933 LSAWBNDXHDYJJM-UHFFFAOYSA-N 430.486 0.965 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 522027961 DGUYSXYDOBHCBK-APWZRJJASA-N 427.505 0.349 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCCO1 533883407 VVJODGXZOXGOBW-AWEZNQCLSA-N 433.555 0.806 30 20 ICED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 549868071 NEOAKOJPXWLFSA-IBGZPJMESA-N 437.541 0.548 30 20 ICED CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 551042743 JNBPJOGYYOIJLV-GFCCVEGCSA-N 429.296 0.752 30 20 ICED CN(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 551083243 RTOIKINBNFQYSR-HNNXBMFYSA-N 426.520 0.103 30 20 ICED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 551331349 PZPCYPRUMZXCJZ-UHFFFAOYSA-N 438.532 0.840 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)c1 551874680 QEPRVDHVAFWNOD-UHFFFAOYSA-N 428.514 0.985 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)n(CCC#N)n1 555881385 WVDWUCPFUDDASH-UHFFFAOYSA-N 436.469 0.620 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 560254692 XQLNYNTYBUQORE-UHFFFAOYSA-N 447.923 0.614 30 20 ICED N#CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603661563 DBOSZNAYXCSKTA-LJQANCHMSA-N 430.530 0.962 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCCC3)cc1 643088164 YQYLFUFSAMBTJD-UHFFFAOYSA-N 432.506 0.676 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 656501047 MLJOYHDNMKINFD-UHFFFAOYSA-N 429.458 0.349 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 730892379 NJPLRDQPOONKJD-UHFFFAOYSA-N 439.453 0.515 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 732455094 CRSWLSPQBWTKOU-DPPKGPFUSA-N 441.488 0.921 30 20 ICED Cc1noc(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 737278475 LCZMXMGTJUXWNI-LFVJCYFKSA-N 448.505 0.878 30 20 ICED NC(=O)c1c(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)sc2c1CCC2 741340618 MITUTANYAWNDJG-VLGSPTGOSA-N 432.458 0.734 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C(=O)NO)cc1 746268676 RSJMZBWCNOYUJS-UHFFFAOYSA-N 449.485 0.765 30 20 ICED O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 747223366 LCUFVJZWRJJYPK-MRCUWXFGSA-N 441.488 0.583 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1 749642014 JHKYIDKIGGDPKK-UHFFFAOYSA-N 446.485 0.769 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCOC2)C1=O 751688806 LEXJZTXEJAXZJG-HWHGUFAVSA-N 426.520 0.059 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1-n1cnnn1 755544933 HKNOTBBAUYIYDL-HIFRSBDPSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(Br)cn2)c1=O 758049663 HWPSULJJBDPMGQ-UHFFFAOYSA-N 445.342 0.976 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766050243 DGEKBJSSYOZMIU-UHFFFAOYSA-N 443.441 0.872 30 20 ICED CS(=O)(=O)NCC(=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 766697196 GOHRBLXEWFSVSS-UHFFFAOYSA-N 426.476 0.968 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)nc12 782751392 WIUFSLXYTJGYNL-UHFFFAOYSA-N 443.441 0.684 30 20 ICED C#CCN(C(=O)C(=O)Nc1nc(-c2cccc(OC)c2)ns1)[C@@H]1CCS(=O)(=O)C1 783479230 BLXXKCRFUPAFQZ-CYBMUJFWSA-N 434.499 0.801 30 20 ICED CNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 784428235 PTUUUCANDBDHIB-LTGZKZEYSA-N 445.567 0.950 30 20 ICED CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 785102888 XCJJHHXJPSLPGT-UHFFFAOYSA-N 443.464 0.423 30 20 ICED CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc(C(=O)NC)c1C 798741762 CKSIAJDZADPQGK-SNVBAGLBSA-N 448.461 0.799 30 20 ICED COC(=O)c1cc(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744397 KKKKPSWDQMJMHK-MNOVXSKESA-N 429.389 0.854 30 20 ICED CS(=O)(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 800630358 DVJNVTIPFISVRE-CQSZACIVSA-N 427.548 0.931 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 806686408 ZIVLQCIJLZOTQS-OAHLLOKOSA-N 429.477 0.874 30 20 ICED C[C@@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1sc2c(c1C#N)CCC2 815260122 KBLNTUDFCFINIA-MNOVXSKESA-N 426.520 0.894 30 20 ICED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C[C@H]21 815707420 YGJBDGPVMMPFAE-LUWBCOHISA-N 448.501 0.315 30 20 ICED N#C[C@H](C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012616 ARZHYJUWQUNDOX-MRXNPFEDSA-N 427.377 0.757 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1286536931 UFDVNNPIHDQABA-SNVBAGLBSA-N 435.348 0.499 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1286969124 OGLLGSNRPKOFBS-PBHICJAKSA-N 434.522 0.961 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314675450 ORDKHIVJTSRIQP-MRXNPFEDSA-N 432.554 0.352 30 20 ICED C#CCNC(=O)c1cccc(-c2noc(C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c1 1320197927 HDAWYKDEQFOYMX-OAHLLOKOSA-N 441.469 0.613 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CCO1 1503771647 IZMKQZJCEIVNRQ-UWJYYQICSA-N 426.477 0.573 30 20 ICED CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1547623419 RWESQHFIJGTVRI-SCLBCKFNSA-N 437.501 0.560 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1617314217 QVWGVBHDZMRWDY-MRXNPFEDSA-N 437.547 0.875 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CC(=O)N(C)C 1693750659 WKWVURZBDXTGQV-WBVHZDCISA-N 439.524 0.985 30 20 ICED CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1723627999 OAPGUWXRDLZHFO-UHFFFAOYSA-N 445.549 0.813 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1741945630 UWGHEYJSCUFCLL-HZPDHXFCSA-N 439.586 0.882 30 20 ICED O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139002 IGYSJFOWVUYPMO-MHRHTVJOSA-N 427.461 0.657 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COCCO)C3)c(C#N)c1 1780688305 MBZWNGWFJLRGEV-NFBKMPQASA-N 445.516 0.632 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccnc3nc2O)C1 1781256558 RICASRYDXJNLGD-OPAMFIHVSA-N 438.440 0.551 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc3c(c2)CCO3)C1 1781950807 UXHMBSMCEVYJKH-AUSIDOKSSA-N 426.469 0.766 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)c(Cl)c1 1781967835 ANLJKKBBRMFWMP-QRWLVFNGSA-N 445.863 0.253 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782184578 YJVWFARNXGGBNV-XGNBGGDFSA-N 435.550 0.427 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cc5cncnc5)CCO4)C3)c2c1 1782191903 BCTKCVRBFIKQRX-QFIPXVFZSA-N 431.456 0.911 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CSC(=N)N)CCO4)C3)c2c1 1782194880 PHQUFNMDWGIQPK-IBGZPJMESA-N 427.490 0.505 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)[C@H]1SC(=N)NC1=O 1783123331 TXBUWWVSQKVMPZ-WPLACJGDSA-N 447.561 0.997 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1C#N 1783168269 XKFSNAWVDSMTQQ-FDDCHVKYSA-N 440.500 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(COC)c[nH]3)C[C@@H]21 1783531595 LICJRPDPJOVWRP-TYEGUXDJSA-N 430.505 0.613 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4ccccc4[C@@H]3O)[C@H]2C1 1784152144 PEDHFZXXUZQRES-HKUUKSEGSA-N 426.469 0.350 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](N)c3cccnc3)[C@H]2C1 1786925561 ICMZOQLSRFYYCM-XHQGZTBTSA-N 441.532 0.310 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1787529543 DIMMSDKLFYGAGE-BJLQDIEVSA-N 442.516 0.689 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc2nncn2c1 1788374692 NUANOWZFXCGFBE-XGZMRPLRSA-N 439.520 0.794 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788680955 BIKFKDBOEOIWIN-ILYCDZHGSA-N 432.506 0.589 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(F)c(C#N)c4)[C@H]3C2)cc1O 1789904724 PZGXLBRBHRZDHY-QOKNQOGYSA-N 441.463 0.972 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c(O)cc(O)cc4O)[C@H]3C2)c1 1790155014 PLEOEZFMJVKQMD-YEWDVWPNSA-N 426.429 0.910 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794118212 HIPNRQYRSQJHTC-AFIMGQEJSA-N 436.534 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)n1 1794280540 OISPYEKMOOXZIB-CWPLJXCYSA-N 444.488 0.753 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc(C)cn2)C3)c(C#N)c1 1799237551 RMGHPYAHCMTOJA-BBIADKPPSA-N 437.500 0.904 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128024 JNLHBBAUGISDRL-WOUAJJJCSA-N 445.564 0.495 30 20 ICED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1800364482 VVRJVGQXAFQDPV-KJCJHMIBSA-N 437.493 0.448 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1800544815 PPQOUVQLPNLYNZ-YWVIFJGQSA-N 443.472 0.900 30 20 ICED CC[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 1800778610 KJDGOERYAFJIBT-YGTYGHESSA-N 437.493 0.357 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c(O)nc(NC(=O)C(C)C)nc21 1801458782 YZCIGFMSJGWIQS-BTTYYORXSA-N 439.476 0.398 30 20 ICED C[C@H](S)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 1802151249 WJZHTDUYXAXVNS-SBJFKYEJSA-N 445.582 0.559 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807043054 IXGGKLXETIZNPY-JTAQYXEDSA-N 433.512 0.732 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3nc(CO)[nH]c3c2)[C@@H]1c1cccnc1 1809113096 BAQJRDXMJGBZNS-ZHRRBRCNSA-N 447.451 0.858 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811532355 FCIQQXVZLWEUKQ-YXJHDRRASA-N 435.444 0.199 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1811538521 FYHNLDIOWNKJHV-QAPCUYQASA-N 446.404 0.326 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1812677031 NFODZGXMIPIDHJ-DZKIICNBSA-N 427.427 0.799 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1815205857 QTOLVFGTRRKEKD-OAHLLOKOSA-N 432.481 0.936 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC#N)CC2 1820020671 XJSYIBZKWDMIBL-RYUDHWBXSA-N 427.490 0.967 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC)NC(N)=O)CC1 1827557569 GMRJKQPEJAKCPB-GNBGVQPESA-N 433.553 0.911 30 20 ICED CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332765 YDDPYMKCDXCFOT-JOCHJYFZSA-N 427.457 0.937 30 20 ICED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830483252 KJJZCYKXDMKICG-QFIPXVFZSA-N 441.488 0.931 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831392182 JWEDCTGXSZSDLE-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1831392417 DJUZDJOMLFOMDO-PKZHUULTSA-N 427.501 0.777 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831427980 WOWVAQHNOWNAAG-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831694749 RUROZJQJTWHXNW-KKSFZXQISA-N 440.541 0.406 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1832137491 FSHWAFAZNGWGMU-RTBURBONSA-N 443.504 0.165 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832492315 OFIRTRALYOKYPS-DHJUGAMNSA-N 446.500 0.874 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCc5sccc5C4)CCO3)C2)CC1 1832584703 MMBQNNGZJNTNLQ-JOCHJYFZSA-N 444.557 0.866 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnc4)CCO3)C2)c1 1832676830 QWXUBSQBBXNDKB-OAQYLSRUSA-N 425.445 0.430 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833468829 YGACODDXOMIGFC-AWEZNQCLSA-N 432.481 0.541 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767704 QGXRYXXBJJXFBC-IERDGZPVSA-N 434.493 0.273 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835364386 SXEGIDDACMXTMA-JOCHJYFZSA-N 429.473 0.776 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376602 AQWNUCPRNZGMHL-XMHVBLFMSA-N 432.521 0.641 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835681877 VDOMFUFIGUWYCU-URXFXBBRSA-N 448.608 0.977 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835829994 IFAURPJVCJTHHF-ZDSQJECRSA-N 446.596 0.720 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1836066248 PDDAVZBGTKZWCN-QFIPXVFZSA-N 439.472 0.491 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1836072942 VBEYNNFGIXWDHT-NRFANRHFSA-N 425.445 0.562 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836129893 DIZLAXKZJJMOHA-QFIPXVFZSA-N 431.489 0.659 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837169922 VFBMAYUWMJOSFC-JTSKRJEESA-N 443.504 0.372 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837244111 ZGBIRSLJZYEQDT-JRPXNJEYSA-N 433.530 0.787 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327393 PHQZKLNSXYTMHF-OYAYMSOSSA-N 431.514 0.797 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837442376 WNLGOVQAJNLLID-YZGVPZOXSA-N 444.532 0.648 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423182 GWKMRTKFIMTWSI-FXAWDEMLSA-N 433.534 0.754 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838584895 MIDYQJPURYIUKU-UZUQRXQVSA-N 444.532 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838839733 ACCNOASPEPLSNB-ZHRRBRCNSA-N 447.488 0.207 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838972886 YVKSYBUVIMNDKK-AOMKIAJQSA-N 432.473 0.509 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839173937 WLJMXMLHJRNMNS-SFHVURJKSA-N 448.419 0.062 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839225037 VYBALHRELWETOV-VBKZILBWSA-N 436.465 0.364 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839276565 OIVHWNKFQZIZAL-BTYIYWSLSA-N 449.435 0.842 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552289 RSFVNKIVLWGTHL-MBSDFSHPSA-N 442.516 0.977 30 20 ICED O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1839870123 TZKNJVVMHKNOLN-LNWWNNNNSA-N 447.513 0.080 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840144980 RIAVVKZWFKDZDB-JKSBSHDWSA-N 435.521 0.972 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157658 XBBLWGYRKXFVKQ-AUSJPIAWSA-N 445.582 0.922 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840900022 GOEBRECOXYDSFU-UZUQRXQVSA-N 440.500 0.565 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)CCO2 1840908978 UDJVXTMPWJGMSC-JPYJTQIMSA-N 447.532 0.773 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC2CCN(CC#N)CC2)cc1C 429904691 BBDFZZNHUQDBBJ-IBGZPJMESA-N 449.577 0.568 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C)C1 442068586 CISGCUWSRLOMMT-CQSZACIVSA-N 442.451 0.917 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 446529238 ISENHMDZRPZBQJ-UHFFFAOYSA-N 443.548 0.574 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NCCS(=O)(=O)N(C)C)c(C#N)c2N)cc1 462739937 YGBUPFTUPSZMCJ-UHFFFAOYSA-N 433.538 0.758 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465420700 YXWIMPDXAIBBNN-CQSZACIVSA-N 437.460 0.149 30 20 ICED Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 472665757 KSEFGEFXEPHXEM-OALUTQOASA-N 433.509 0.935 30 20 ICED COC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 476898922 NZGHXDJCTUWGDT-UHFFFAOYSA-N 434.518 0.276 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 480311845 UOFACDZHGJTHAR-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)c1 483134368 FXYYSNTYFIQXIP-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 488979923 LDKRQUAQNGVZDP-LBPRGKRZSA-N 432.885 0.980 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc(OC)c1OC 488990348 YRMKYJDIHSKZGS-CYBMUJFWSA-N 430.482 0.581 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 520626511 TVDZURKKPSTRLI-UHFFFAOYSA-N 427.526 0.909 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccn3)c2=O)cn1 524232919 SIKCHGQYXBMRTD-UHFFFAOYSA-N 433.493 0.823 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 536979814 FQOHDUJFMFBMRN-UHFFFAOYSA-N 444.517 0.981 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3ccsc3)N(C)C)CC2)c1C#N 551024172 UDZQFCUMEASPEN-QGZVFWFLSA-N 429.550 0.729 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 557016739 HHGGJYOKXVZVTC-UHFFFAOYSA-N 427.548 0.564 30 20 ICED CN(CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(F)(F)F 559924358 FMMSVZJQACDNQB-INIZCTEOSA-N 439.438 0.776 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(F)c3)C2=O)cc1 573970084 FEGXXYQNSCEGBO-GOSISDBHSA-N 430.461 0.893 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 580734382 ARLOYHDRAPDJMC-AZUAARDMSA-N 427.549 0.212 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)c1C#N 583719455 NDBSTTWJPITLOQ-CGTJXYLNSA-N 426.521 0.713 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 603560196 FOUUURKRRNPZBQ-RTBURBONSA-N 449.577 0.905 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(=O)N(C)C 610784048 BVDIEFSMCVLVLA-UHFFFAOYSA-N 434.543 0.097 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NC1CCN(CC#N)CC1 611153824 WKKMJVQIWUGAHQ-IBGZPJMESA-N 431.537 0.862 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3cnccc3c2)c1=O 618639204 VNMVMDWAEYRGSB-UHFFFAOYSA-N 447.520 0.328 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 732665395 YOJLCDBFHCMWAB-OCCSQVGLSA-N 428.536 0.173 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 736166630 HIMLCHXRWOXQJV-GFCCVEGCSA-N 430.446 0.741 30 20 ICED N#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746207681 SJIXKKYZMJBQFL-OAHLLOKOSA-N 428.470 0.906 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1=O 752800754 QHQMYRMXUBCSDR-HOTGVXAUSA-N 435.525 0.736 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755641701 QARIXRVUNLNHMX-HNNXBMFYSA-N 433.513 0.770 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758768188 HYVYNYFPYQVPKG-GVDBMIGSSA-N 436.557 0.987 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCc2nc[nH]n2)CC1 764002250 KCBPGRYWAFSOMM-UHFFFAOYSA-N 425.405 0.749 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 781593430 BEGRPTCKIWDBHO-UHFFFAOYSA-N 446.464 0.421 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 787777088 HEOYVTCITHAPKP-UHFFFAOYSA-N 437.460 0.045 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804747588 ILVWBPCYVQKDSV-KRWDZBQOSA-N 441.488 0.905 30 20 ICED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 807462823 TZNDKXKNLVDGEW-CYBMUJFWSA-N 427.458 0.054 30 20 ICED COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)c(OC)c1 813980293 ZJUOMGKASLJYRO-ZDUSSCGKSA-N 430.442 0.828 30 20 ICED C[C@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccc(F)cc1 815260770 UWHNHYCTXWBSCK-KBPBESRZSA-N 426.470 0.920 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2cnn(C)n2)c1 815818823 DGBZYDUJQADMRG-ULJHMMPZSA-N 447.521 0.315 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 843375020 GYVBNHIBHNBQEU-CQSZACIVSA-N 425.532 0.683 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 914489564 SCNVNIHGBZKSFK-QGZVFWFLSA-N 432.502 0.699 30 20 ICED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 914684627 HGJILYKAMRRQNB-OAQYLSRUSA-N 430.428 0.986 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917760832 CEEWFHKSNQHPLB-UHFFFAOYSA-N 447.520 0.818 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)Cc3cccc(F)c3)CC2)o1 919405497 BYXLVBGLFSJRGA-UHFFFAOYSA-N 443.435 0.545 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCCC1 919671582 IWTFUMGJVCJNMT-OAHLLOKOSA-N 442.563 0.987 30 20 ICED CC(C)(C)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1115867147 IYAVJRXHVZGAOJ-UHFFFAOYSA-N 433.578 0.807 30 20 ICED CC1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1291181481 JEWHGTCPCCBQKO-IRXDYDNUSA-N 439.586 0.739 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1302210725 PUDXDQZZEMCWQV-UGSOOPFHSA-N 426.518 0.927 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1303470002 LZVMCULDICAKCP-OAHLLOKOSA-N 445.549 0.811 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1314555171 XHEOVGUHBWELIY-MRXNPFEDSA-N 432.506 0.755 30 20 ICED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1314637726 WHEWJTKLIVWWKZ-UHFFFAOYSA-N 445.549 0.813 30 20 ICED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1315403936 ZZWIKJWFGXKRRG-OALUTQOASA-N 435.481 0.945 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1360248358 PJXHIOBQSXCQKP-KGLIPLIRSA-N 445.446 0.408 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)[C@H](C#N)C1 1478405153 YPGAPXNCIJLOEC-UKRRQHHQSA-N 427.527 0.565 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1554317037 VYMMMVWRVCPABQ-UHFFFAOYSA-N 440.551 0.189 30 20 ICED CCOC(=O)C1([S@](C)=O)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1559843908 SKOFQISDKGIGDA-ADKRDUOOSA-N 426.583 0.455 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCS(=O)(=O)NC(C)C)CC2)c1C#N 1612470345 PLVXXGVYXBATRI-UHFFFAOYSA-N 435.558 0.155 30 20 ICED Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1618455237 KBUWXKPJOBNZBM-UHFFFAOYSA-N 427.494 0.075 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1694780807 MZOIKQUUNPGDJK-NVXWUHKLSA-N 428.518 0.966 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1696623176 PLRIUBSZWHBSTG-LJQANCHMSA-N 431.522 0.410 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1712123302 WEMXODSHPOBHOQ-LSDHHAIUSA-N 442.542 0.012 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1729728984 IYKXKQSTXNWGAB-UHFFFAOYSA-N 425.493 0.820 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1731183534 ZZBXHIOUWXFFPT-KKSFZXQISA-N 441.467 0.487 30 20 ICED CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761567099 MUCGJRUAPULVNJ-BEFAXECRSA-N 440.545 0.733 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771536459 TXKIWSDKSILLSS-CRAIPNDOSA-N 437.909 0.877 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832536 SQMIJNXGXUQICW-JOCHJYFZSA-N 447.455 0.518 30 20 ICED COC1(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1778142806 MEEXMUNSYHBOHQ-HXUWFJFHSA-N 436.509 0.756 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381196 QRNVUZVJSBDWOV-BTYIYWSLSA-N 431.493 0.051 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)OCCO3)C1 1778444514 XYQBSXZOKKNMHN-XMSQKQJNSA-N 428.441 0.673 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780015714 ALTRYKWZOVTONT-QFIPXVFZSA-N 443.504 0.757 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)ccc1F 1781294705 OFSFMOJYJDRXSM-AOMKIAJQSA-N 428.464 0.596 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c1 1781964131 WYSIPLOVNHVIMY-FQEVSTJZSA-N 427.392 0.656 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4c3)C[C@@H]21 1783530605 KQARHXCYBKDBGZ-ZQPXHLQISA-N 437.500 0.786 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1783928197 FOPXDFPPHJPVLD-YADHBBJMSA-N 429.473 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1784480399 JMIFGBGQXJNSAV-HTNYWEHUSA-N 428.489 0.537 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1785378888 WRLFSQNNVVTEBN-FQEVSTJZSA-N 431.518 0.784 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1786859162 QSQLPLKYQDMBAT-JQFCIGGWSA-N 444.492 0.050 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788575555 MMHADVXEAOWYLN-QUSNUVHPSA-N 428.551 0.116 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201698 ZAHMWFFWHIGQMQ-DZKIICNBSA-N 447.442 0.894 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(OCF)cn4)C[C@@H]32)c1 1789342719 CQJNZKRQGOWGMA-ZQIUZPCESA-N 428.424 0.889 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790224460 HPKDHYMJYFSXAI-PLYYQAHHSA-N 431.468 0.738 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105409 HQLVYZBYVAMRQE-AMVTXUCVSA-N 443.504 0.970 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cn2ncccc2n1 1797040654 LVXPILYFSQSXHG-NWIFUHBESA-N 425.493 0.404 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797143324 ROVIYFWYLIBXCM-NRSFXHEJSA-N 435.521 0.481 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)c1 1799150246 HMGCLFNJKYRMDD-GHHWKCCRSA-N 425.489 0.491 30 20 ICED 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)CC2)C3)CCOC1 1799335361 ZIQUJVTUYGMYEU-JEZSTIGHSA-N 448.520 0.564 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799798324 RIXPLZDFOHBLAH-XEMDLRDOSA-N 431.514 0.976 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3c(c2)NC(=O)CS3)CC1 1800038034 KKFBTOPIZWDICV-YWVIFJGQSA-N 427.486 0.633 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802679346 HTLBKJGAPBVXMZ-JENIJYKNSA-N 431.537 0.932 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)O1 1803645642 HOZGQNJHFOYAOI-KARRLCMESA-N 428.493 0.668 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CC[C@H](N)C(N)=O)CC3)C2)cc1 1804942974 PRKCRGVTYRTWRX-IBGZPJMESA-N 425.533 0.925 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1808439495 SCCKIRMJVRKATG-YLJYHZDGSA-N 426.477 0.889 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810564208 BQOJACHTJCCDEM-FUMNGEBKSA-N 446.548 0.812 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCc3nc(N)n[nH]3)[C@@H]2c2cccnc2)c1 1811541068 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COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(OC)OC)C3)C2)c(C#N)c1 1839131092 LCVHCXHYHZGPJE-QFIPXVFZSA-N 447.488 0.185 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1839174439 BVFNRKCXDGOSPP-OAQYLSRUSA-N 435.452 0.800 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)C1 1840039984 LDZKCQKXMLOUMS-NPPFBWRTSA-N 430.432 0.474 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089892 LAANAPMZBWYZBP-PJIJBLCYSA-N 431.555 0.674 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840422550 CFJNVHNQYMYWGN-JBYIUTFZSA-N 431.489 0.344 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549735 IKMXZKSQFAJPOZ-PXNSSMCTSA-N 428.551 0.646 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840802162 ZDSUAOMVDHXKGN-NRFANRHFSA-N 436.509 0.661 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840819635 XMEIHQQRRXFDJR-DENIHFKCSA-N 429.473 0.572 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840840360 OCQZLGNJKYJZOL-HXUWFJFHSA-N 431.518 0.512 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840860536 LZXHNGJPSLFSAU-ZTWVJJDTSA-N 437.562 0.444 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C[C@H]1CO2 1845078662 HZXXTQKICXIIOI-QKKBWIMNSA-N 433.461 0.056 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194416 CLJXGCRHPYXJRY-NYHFZMIOSA-N 447.488 0.161 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1847468334 JNICUDOVHFAADH-PMACEKPBSA-N 444.557 0.423 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213617 FLJCECCLVLJNKN-GPCFSNKJSA-N 442.520 0.666 30 20 ICED C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CS2 26879738 PFRWVDNSDKBMFC-APWZRJJASA-N 434.543 0.845 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 428807653 CRDDDWJRYXSUBX-OAHLLOKOSA-N 426.477 0.388 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1 433887582 ZMVSBQAKPYSACX-UHFFFAOYSA-N 439.451 0.611 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CC1 440955539 XOUXPNZRYMUCIY-YVXJGENVSA-N 430.530 0.092 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)n1 441933692 LNUSMEOVXBPHJU-CQSZACIVSA-N 440.525 0.522 30 20 ICED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C1CC1 442398132 ZLHFCHIWDIVTFC-AWEZNQCLSA-N 441.531 0.268 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCSC 443665202 AGIJJWRLJXOACH-UHFFFAOYSA-N 439.509 0.817 30 20 ICED COCc1noc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 444447222 UXTLTGCDJFZLSQ-UHFFFAOYSA-N 448.505 0.366 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 446140545 VQNPGUAQPFMJCY-CQSZACIVSA-N 444.517 0.836 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 462110464 UIQIHCPKTQYMOG-UHFFFAOYSA-N 435.448 1.147 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467138047 USCCKMBQNGOSAK-UHFFFAOYSA-N 437.490 0.898 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 468601758 ZKDUYLQRLCSRNV-INIZCTEOSA-N 445.487 0.858 30 20 ICED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471006751 OITQWNMDDFBYDA-AWEZNQCLSA-N 432.502 0.854 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)C2=O)cc1 477028887 OXALPSVKEJAQSO-LJQANCHMSA-N 439.497 0.660 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478847525 GFIXNZGVNVBVMC-AWEZNQCLSA-N 444.513 0.095 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 478859437 SBIWUQUVWXXWHV-CVEARBPZSA-N 425.510 0.840 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1Cl 479131016 LXBBCNVYVIBMRB-AWEZNQCLSA-N 428.898 0.755 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)n1 479365815 OHFWIDNVUJSXGR-MRXNPFEDSA-N 440.525 0.664 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 480940496 WGGPCWBUGXQGGH-UHFFFAOYSA-N 436.493 0.909 30 20 ICED Cn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 501514670 ZOGZUCSMUOILHK-LJQANCHMSA-N 428.518 0.794 30 20 ICED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508887804 KMYRXGUXGIDHML-JKSUJKDBSA-N 426.543 0.261 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 508959595 NWIKACSBQHXHBT-UHFFFAOYSA-N 433.266 0.583 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)CN1CCOCC1 514307153 MBZXNJUASVWWKB-NHCUHLMSSA-N 433.528 0.159 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccc(S(N)(=O)=O)c1 514741404 IHWOCOPWMKMNJG-CQSZACIVSA-N 442.501 0.127 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)c1C#N 520909887 MSPOGXDHRZHRNZ-UHFFFAOYSA-N 439.523 0.262 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 533808150 DIXZMUVFROORJF-ZDUSSCGKSA-N 428.536 0.155 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 536022980 QUAHSGWJPQPNRH-UHFFFAOYSA-N 428.536 0.341 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 537211172 NPZYXNOQKGULIO-SJORKVTESA-N 439.607 0.861 30 20 ICED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(N)=O)c1C 551921597 UNHRVKOZNPEDOE-UHFFFAOYSA-N 435.509 0.440 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2)c(F)c1 552894906 SFQNQUOOHDRKFM-KVSKMBFKSA-N 436.509 0.138 30 20 ICED Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 553908859 AXXJXESTMYKZEJ-FGRKSUEESA-N 446.602 0.996 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 558545382 XNNLKZVIAUPTMQ-LBPRGKRZSA-N 436.444 0.642 30 20 ICED CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576705496 GZMVUDQVDJDIOY-UONOGXRCSA-N 426.433 0.647 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1cccc(NC(C)=O)c1 580508652 QYHQXJFRDNVDFW-UHFFFAOYSA-N 449.492 0.510 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1C 604270256 JXAVDMURQQIJCI-UHFFFAOYSA-N 440.525 0.097 30 20 ICED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609342001 ISAPEZLMVVKMOS-UHFFFAOYSA-N 435.550 0.947 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 610134405 FKZNQLZWQJJXDA-GOSISDBHSA-N 441.575 0.767 30 20 ICED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nn1CCC#N 611481490 AZDGWUODIRQCLA-UHFFFAOYSA-N 435.466 0.336 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 728533809 ALOOJOOKSCNSDT-QFIPXVFZSA-N 432.524 0.921 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 735295257 RDPRMGZLTXUVCR-UHFFFAOYSA-N 437.481 0.389 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 735881451 KZZQRNHPOQDEHR-QURGRASLSA-N 441.488 0.837 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 735939527 GWHUTYQUEMBDKM-UHFFFAOYSA-N 433.530 0.408 30 20 ICED C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 744366186 GCHKVDPDIYIEGF-MRXNPFEDSA-N 437.518 0.777 30 20 ICED CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749744230 OMTVSMIQRSJFHQ-QAXPQUGSSA-N 442.563 0.667 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cn1 749869726 IVNIUHYFCYHYHA-AWEZNQCLSA-N 441.557 0.679 30 20 ICED N#CCN(C(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 753636313 UZNLBJVIWHZWCL-HNNXBMFYSA-N 432.458 0.252 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CC1 761024337 MVQBDFGHDMSUSH-UHFFFAOYSA-N 431.522 0.112 30 20 ICED COC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccc(C#N)c1 762940956 IKSQUJCWHOXTAE-SJKOYZFVSA-N 445.453 0.781 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1 767626780 IWWOIUNBHVMECK-LLVKDONJSA-N 443.441 0.989 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)CC1 768053122 DSSDVSHUXGFNBP-UHFFFAOYSA-N 440.500 0.394 30 20 ICED C#CCCOc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 768250860 YAUCJCKAVGCTFE-IBGZPJMESA-N 426.560 0.723 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C)[C@H]1CCCO1 773788830 CAXVUXYZOVURLU-NVXWUHKLSA-N 437.518 0.960 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1 778858432 SKBIAMVVVVVANY-ZDUSSCGKSA-N 425.511 0.860 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 783014423 PBWYBQUDINCHPB-MRXNPFEDSA-N 438.554 0.182 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 783033512 JTESWAXTJJZZKK-UHFFFAOYSA-N 447.535 0.438 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 789789207 SFWQLDNGJVJVMD-UHFFFAOYSA-N 447.517 0.380 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802576942 UMWKPTFPYYOQLF-UHFFFAOYSA-N 427.575 0.701 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 810784209 WICLBQVRXKVWFP-UHFFFAOYSA-N 443.503 0.773 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CNC(=O)C2CC2)CC1 919097236 PKERZDMKUHIIHK-UHFFFAOYSA-N 427.417 0.524 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1 1208069612 YYPFJGZSJZNSAI-UHFFFAOYSA-N 447.560 0.865 30 20 ICED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1320281114 DQCRKGDEWUKSDF-UHFFFAOYSA-N 439.534 0.118 30 20 ICED CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1448477473 QPQOEGYXMFXRQS-UHFFFAOYSA-N 444.249 0.822 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1471538525 OYDQTXHWOFGEQN-IEBWSBKVSA-N 449.577 0.138 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CCO1 1517545618 OTTQTWUDJXBLSM-CRAIPNDOSA-N 428.493 0.962 30 20 ICED N#Cc1cn(CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)c(=O)nc1O 1568100513 XRGXKBVSIJOBAB-UHFFFAOYSA-N 435.238 0.453 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1611687029 PZCVEOHZJVMPSF-UGSOOPFHSA-N 436.517 0.840 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CCN2CCOCC2)C1 1650978036 PIFZMECTNIZTHJ-KRWDZBQOSA-N 449.577 0.028 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CCN2CCOCC2)C1 1650978037 PIFZMECTNIZTHJ-QGZVFWFLSA-N 449.577 0.028 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1705997915 RHSLMLCPPPYWKJ-OAQYLSRUSA-N 426.477 0.549 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710458237 TVAGXLMOWQOSKS-SFTDATJTSA-N 449.531 0.536 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1728205511 QCXKXVFORBGFJF-UHFFFAOYSA-N 425.493 0.957 30 20 ICED Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)n1 1748066202 IKMARZUVLHPTCU-UHFFFAOYSA-N 426.506 0.813 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1748443382 YAWFMXSRQJJBHT-OAGGEKHMSA-N 428.559 0.878 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749808014 RAVFENXQXLBSEB-FZKQIMNGSA-N 441.533 0.589 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1760692003 WHJNEXZQXMJKDX-CYBMUJFWSA-N 444.521 0.337 30 20 ICED CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1761247027 ZJJCWVYSBZLAIV-UHFFFAOYSA-N 433.538 0.717 30 20 ICED CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766681265 WMHIBBMKNPYLGQ-INIZCTEOSA-N 435.554 0.125 30 20 ICED COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1770304128 QVJFICYDNYHXNI-IAGOWNOFSA-N 439.476 0.397 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1778999339 UVZSOSCZEMZTFX-IERDGZPVSA-N 448.596 0.466 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779105002 QBBBVFPDWUNYDF-LQWCGFJLSA-N 431.493 0.768 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779107276 PRSZXSJJSAMDTG-DRRDTLGUSA-N 447.492 0.474 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[S@](=O)CC)C1 1779215934 OWRBWNTYQWLYEQ-YJCYUGEWSA-N 439.578 0.517 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1780806701 KYPBCEUQYFEMQI-FRQCXROJSA-N 431.555 0.736 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1781271845 NRCNRGSNUWFRDG-NRFANRHFSA-N 439.509 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782268567 DGRVMEWYBHUGRZ-GSHUGGBRSA-N 435.521 0.536 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CCO2 1783564841 AYVTWBAWVSMFDW-GBXCKJPGSA-N 439.512 0.959 30 20 ICED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783580317 OKXYBANIDIWJNL-HAGHYFMRSA-N 433.549 0.579 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1783768979 LTMBFILISCVKOV-VFNWGFHPSA-N 438.525 0.551 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1783892793 GRMHWNVYIWDUGK-MPBGBICISA-N 442.501 0.333 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783904885 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XBUOJLAGGRXABJ-DZGCQCFKSA-N 442.582 0.913 30 20 ICED C=CCC(=O)N1CCCC12CN(C(=O)Cn1cnc3c(O)nc(NC(=O)C(C)C)nc31)C2 1846377855 BNUJGGLAHCLMCF-UHFFFAOYSA-N 441.492 0.906 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2c(C(=O)OCC)ncn2C1 1847804128 DWDQVFCSSHZVPM-MHORFTMASA-N 442.516 0.862 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 11334656 LVPBCRGWCBXQKZ-OAQYLSRUSA-N 449.529 0.992 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 16559346 QQNAAPOWPPULNF-NSHDSACASA-N 435.483 0.943 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435249978 WJKITVOFWVVXKC-UHFFFAOYSA-N 428.468 1.391 30 20 ICED CN(CC(=O)Nc1cccc(F)c1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 437181014 FWBMSFVRXLXYOA-UHFFFAOYSA-N 435.419 1.373 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 437402482 BQZLQAIJKJGACJ-ZDUSSCGKSA-N 426.470 0.793 30 20 ICED CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 439605623 ATUXXUNWKCKNLD-UHFFFAOYSA-N 449.533 0.534 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)cn2)C[C@@H](C)O1 440118470 DSVWIRHZGXZCQX-IYBDPMFKSA-N 438.488 0.688 30 20 ICED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)C2)nn1 442431333 CFHVQKLCTXUMBE-UHFFFAOYSA-N 448.443 0.761 30 20 ICED Cc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C#N 443092004 FPKJEECLJGPCQW-UHFFFAOYSA-N 449.558 0.692 30 20 ICED Cc1c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 467952093 LFCCFBRWLJJEGK-UHFFFAOYSA-N 430.446 0.780 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCn3c(CO)nnc3C2)CC1 471029216 PFQGPFPPQWAXTD-UHFFFAOYSA-N 438.448 0.054 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471974304 XYFCHETZKFIDTF-LJQANCHMSA-N 426.521 0.675 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 475453349 MTNLABLQOCNVQY-NRFANRHFSA-N 443.479 0.962 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C 480287374 GQSPUWSLTUYMES-UHFFFAOYSA-N 435.531 0.681 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1 484602832 WQYFNQNRNMHRFV-UHFFFAOYSA-N 445.566 0.550 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486019008 RBDUDDKHAOPDJT-KRWDZBQOSA-N 427.486 0.734 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F 489500590 SJPPIQXGSGEXDC-UHFFFAOYSA-N 432.499 0.017 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 490132583 JOKNXXMPDZVLNE-XLIONFOSSA-N 444.517 0.531 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 505165412 KVLHUJVDNNGIAQ-OAHLLOKOSA-N 437.460 0.673 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 514891295 RRMZKPQTWSVJLG-MRXNPFEDSA-N 434.518 0.468 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 516031522 FUINMRVWVWPAEZ-UHFFFAOYSA-N 436.472 0.755 30 20 ICED Cc1nsc(N2CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC2)c1C#N 517264631 NFFNFARDRXWSTC-UHFFFAOYSA-N 442.611 0.622 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 531938702 WMPCRTJVNMCGLL-UHFFFAOYSA-N 432.527 0.027 30 20 ICED CCNC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 533223157 QYZLYFHMLZYRMR-UHFFFAOYSA-N 441.492 0.802 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 552589600 YKBRORIWPHZRSE-GHTZIAJQSA-N 428.533 0.939 30 20 ICED Cc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1CCC#N 554355883 AGRWLGQOODHIJP-UHFFFAOYSA-N 425.497 1.086 30 20 ICED Cc1nsc(N2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 576873929 VNLPUGBHRUFBAQ-UHFFFAOYSA-N 426.568 0.826 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 581286670 RFTQXTYUOSFSJS-KRWDZBQOSA-N 435.554 0.446 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 604218711 GKUPLDAEVSOKHJ-UHFFFAOYSA-N 426.408 0.949 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCCN(C)C)cc2)CC1 609166966 KXICXQQPCQESAO-UHFFFAOYSA-N 449.577 0.847 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 609563914 AYGQVQFYNAHFHK-UHFFFAOYSA-N 430.555 0.420 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2=O)cc1 617036253 QZMDTRHNMBCOSG-SFHVURJKSA-N 445.476 0.945 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 648031009 OLZKLMWYLPCYJH-UHFFFAOYSA-N 441.517 0.790 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 682272743 NMRLKLZIEJCKKZ-LJQANCHMSA-N 429.521 0.064 30 20 ICED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)s1 727008503 OHXYLQIXMWSSLQ-UHFFFAOYSA-N 449.510 0.867 30 20 ICED COCCN1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 729069157 DCHMLMAOMSENCF-MAUKXSAKSA-N 443.460 0.447 30 20 ICED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731851118 HRSPYMSVFWWKHS-FOCLMDBBSA-N 437.430 0.065 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)N(C)CCC#N 744589849 URQNVCYDEWYCOH-IVZQSRNASA-N 442.472 0.916 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCC#N)CCN3CCOCC3)C2=O)cc1 749379821 QBQHYFUUKDKRDV-JOCHJYFZSA-N 443.504 0.537 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 754706269 FNMCONUYDWBJHZ-SJLPKXTDSA-N 425.470 0.505 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@H](C#N)C1 756836136 SXQVGDBVKFJSCQ-GDBMZVCRSA-N 447.496 0.622 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2nccc3ccccc23)c1=O 758051305 ZXUUGPGGXULBJO-UHFFFAOYSA-N 432.505 0.747 30 20 ICED N#Cc1cccc([C@@H]2CN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CCO2)c1 761756503 AAPMXZBYQZMERB-UXHICEINSA-N 432.546 0.263 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCC1 771081211 VCAKIVVCVGDKAH-SKHCZCESSA-N 444.513 0.930 30 20 ICED C#CCCN1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 776594439 GPQBFLKEYSWBAW-SFHVURJKSA-N 434.562 0.675 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1=O 779316859 ULRKOBIINGZLRV-IBGZPJMESA-N 448.501 0.992 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 785660675 LGYCBLAQEZFYPI-HZPDHXFCSA-N 432.502 0.449 30 20 ICED C[C@@H](OC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)NC1(C#N)CCC1 787617354 DDIDYDXLXGKYSE-GFCCVEGCSA-N 427.504 0.877 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)n1 789788692 MSVMQQIPLVURCQ-LJQANCHMSA-N 439.472 0.032 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCN(c2nc(CC)ns2)CC1)c1cc[nH]n1 789991693 ZCECMXVVHJJRSP-UHFFFAOYSA-N 435.510 0.846 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)N(CC)CC)CC2)cc1 808121208 CNJUZRYMVVHGAG-UHFFFAOYSA-N 434.562 0.661 30 20 ICED CN(C)c1cc(Cl)cc(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 811645168 BFHODCMWIDOLFK-UHFFFAOYSA-N 434.305 0.769 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)s1 920399490 QVWGCSXLARQGOR-UHFFFAOYSA-N 429.571 0.723 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(CS(C)(=O)=O)CC1 1293097732 VIBVWHMFSGACMY-UHFFFAOYSA-N 446.581 0.906 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1303640469 KMEBQHXKKRQKTL-LSDHHAIUSA-N 428.584 0.899 30 20 ICED COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1315557859 MVGBCHPQSUFAQI-RBUKOAKNSA-N 435.481 0.945 30 20 ICED COC(=O)Cn1nc(C)c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1C 1319624459 LIOAPGJZQSYAII-UHFFFAOYSA-N 433.490 0.418 30 20 ICED CS(=O)(=O)Nc1ccc(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1641149041 XFDXODOFPPNHIE-UHFFFAOYSA-N 430.486 0.807 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)c1C#N 1684836858 TXKUQYDIPSMCGF-SFHVURJKSA-N 447.609 0.951 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1722486344 YAJWBMKSXYEFKY-KGLIPLIRSA-N 446.371 0.610 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726808741 IRFAMTCFRZHADD-KKSFZXQISA-N 441.540 0.630 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1748317410 SDUAZOIAPBMPRJ-INIZCTEOSA-N 432.506 0.707 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1778879500 JFORWEQNCRTIIJ-AOMKIAJQSA-N 427.505 0.838 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778893844 AGDXLDWXWRMONH-QGZVFWFLSA-N 436.383 0.431 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nncn3c2)C1 1779065962 ZVULBWODBAOXPV-AQOAWAETSA-N 425.489 0.895 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779101050 GVNZJDYQOQCICN-NWKSEYAWSA-N 442.476 0.930 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc1 1780701021 CMCBFJCBEJXYMT-HXUWFJFHSA-N 444.538 0.862 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172970 MCZYINVXLHWAJO-WAIKUNEKSA-N 440.500 0.630 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781265150 KCNWPDKLFAMRGA-LJQANCHMSA-N 435.437 0.131 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782186756 IIICEVQDNRWJSK-SQGPQFPESA-N 432.583 0.888 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)=NO2)C1 1783455175 GFVDABCSVAAHHZ-HXUWFJFHSA-N 447.492 0.496 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(C)C)C(C)C)C[C@@H]21 1783531400 XDOMWEFVIJLERO-QBOZPLAGSA-N 434.581 0.847 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558801 YQSKRPBDPFXJMV-YCRPNKLZSA-N 435.477 0.374 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4ccccc4[C@H]3O)[C@H]2C1 1784152145 PEDHFZXXUZQRES-RBTCRBIMSA-N 426.469 0.350 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccncn3)CCO2)C1 1785574702 OOWAFLBQUKGAIK-VGSWGCGISA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889325 YHFJVVQYDOUQFS-JQFCIGGWSA-N 444.492 0.050 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nn1 1789104953 SYFVISPQTBBRKJ-PPYUBFJKSA-N 447.492 0.608 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccnnc4O)[C@H]3C2)c1 1789117164 MQVXARDOSCQZIW-JVPBZIDWSA-N 437.456 0.970 30 20 ICED 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 1790330297 GDTIXQAXWITPOV-SXNHZJKMSA-N 438.488 0.552 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1791153773 DWYUIMHVWYPNSX-ZBRFXRBCSA-N 437.537 0.918 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](C)S)[C@H]4C3)cnc2c1 1791261123 DEATXUYPTOIPBW-OTRWWLKZSA-N 430.530 0.915 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261209 AWONPIZXMNANMM-CLWJZODNSA-N 435.521 0.265 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(O)nc(O)c1 1796138769 SHLKOUPTNLLIBK-COGMPDBYSA-N 434.449 0.225 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796398037 FIMLTYOHYZBEIT-NFBNLJIBSA-N 445.520 0.070 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781059 NZJCLHABWIZLAG-CWPLJXCYSA-N 438.546 0.181 30 20 ICED COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811661 RDCGIHIZHUFDTK-DBGBFXKQSA-N 432.477 0.822 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1799303667 LOWLYWXBIKPKFA-HGKCTWBKSA-N 445.472 0.581 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C 1800824589 RTAMYWHYNFZZLU-JMEXBRRFSA-N 449.548 0.750 30 20 ICED 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 1800988679 PRECGPYDLNPTGJ-NIFZNCRKSA-N 431.555 0.170 30 20 ICED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)C(F)(F)F 1801989287 JCUGXGQIOUGWCA-QOIYZWAUSA-N 441.406 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1802482836 RSMBPEWJPSXLKQ-NBBDWSPISA-N 436.516 0.922 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1807151656 WSPJOJLEUSSWJC-JENIJYKNSA-N 426.521 0.505 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811791211 PGJFEURDLBHVNA-NLWGTHIKSA-N 446.467 0.871 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812493677 GVNUBVSLAJTXAW-OWYHZJEWSA-N 433.530 0.703 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cncn2)[C@H]1c1cccnc1 1813397606 SDCPMJXTSZIFFA-IQWKXGSOSA-N 437.504 0.799 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830641985 JIWIWYOVOFUAJJ-OAQYLSRUSA-N 432.525 0.544 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1831391851 XADJIMPVSVPBBI-JPYJTQIMSA-N 430.501 0.732 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1831397746 XAGVLPMZDYDPCD-AOMKIAJQSA-N 432.473 0.509 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831399172 QLRGPAKVQSRVKL-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831608109 DBFSPRXGVUHURI-QKKBWIMNSA-N 448.907 0.793 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427137 IFFQFQHYQDPQGH-FQEVSTJZSA-N 429.590 0.998 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2)C(F)(F)F 1833497029 VLUUYHSSQNAURJ-KRWDZBQOSA-N 444.366 0.363 30 20 ICED O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833613322 IRMGPPAQRVIJGO-UHFFFAOYSA-N 426.517 0.287 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C)C3)C2)c(O)n1 1833699121 SJFVGAFNCPGBJP-QHCPKHFHSA-N 446.548 0.928 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)n1ccnn1 1834717269 XKJPYAXTOIMCOK-QGZVFWFLSA-N 444.584 0.693 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835355039 PTGAPIKIHGPSGQ-QFIPXVFZSA-N 430.505 0.892 30 20 ICED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)CC1 1835483965 WGSPWFJYRCQMII-UHFFFAOYSA-N 430.597 0.499 30 20 ICED NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768051 JIRPSTVKMPGETB-CPOKCXMASA-N 437.541 0.353 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1cccs1 1836207880 DQHVZWFPPASUDD-WUUFJKRQSA-N 445.501 0.235 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836709668 WDGODQCNYKGZPF-JXCVUKRWSA-N 445.438 0.644 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2)C(F)(F)F 1837019778 MRZFQPMZQYUPCM-SFHVURJKSA-N 439.394 0.918 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CC(=O)NC4=O)CC3)CC2)CCC1 1837078904 OHKBSNJIZDMZPQ-UHFFFAOYSA-N 431.493 0.231 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cc(Cl)ccc13)CCO2 1837086659 GCCHXCLQOCRGPW-FQEVSTJZSA-N 446.847 0.374 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193380 IYYBFWJHVGDFCH-BTYIYWSLSA-N 429.477 0.619 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837305410 XNBXISVBMMSGJH-JTSKRJEESA-N 440.504 0.963 30 20 ICED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc1C 1837564415 LXKKBNSNHFCQAD-YVABFXQFSA-N 443.504 0.994 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1)c1ccccc1 1837612519 GIESYQZQWLODDX-AUSIDOKSSA-N 441.532 0.123 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837902106 GJYFUKTZZNESCY-NGXITPROSA-N 432.452 0.149 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838336754 NUGVXPTYERSGAK-HSZRJFAPSA-N 443.500 0.089 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnco4)C3)C2)c1 1838579357 JQZTVLXDIUKARE-OAQYLSRUSA-N 426.429 0.939 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049581 KZUKPHHQMLZHIX-QHCPKHFHSA-N 439.516 0.922 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1839420211 WAKFMFYGYRVHPN-NRFANRHFSA-N 425.420 0.871 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3cccc(Cl)c31)CCO2 1839743139 XWVYMMUVLFWUNI-KSFYIVLOSA-N 446.887 0.914 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1839806523 RWNNQRKNPNEYFR-OAQYLSRUSA-N 447.875 0.155 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1839808160 MENHFPYFLZIDNM-IBGZPJMESA-N 447.289 0.800 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#C)CCO2)C1 1839809749 KDHMASJUVPGBAW-MBSDFSHPSA-N 447.532 0.773 30 20 ICED O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840105908 SHYMWMYTLPRTRM-YVABFXQFSA-N 446.504 0.167 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840842617 QKQYTSDHAVCEIC-FCHUYYIVSA-N 427.457 0.591 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413902 FZOJICAHUTXJBE-DEDYPNTBSA-N 425.555 0.087 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 433649499 NAGSPSGOQBCUML-LBPRGKRZSA-N 435.893 1.229 30 20 ICED COCCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1ccc(C#N)cc1 434905035 PJONBZUNMQBOJS-UHFFFAOYSA-N 427.505 0.988 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)[C@@H](C)C#N 436726035 SAPFXVZODGDCIN-MAUKXSAKSA-N 436.534 0.832 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 437053367 VSMASKXAEOULDT-CXAGYDPISA-N 425.507 0.981 30 20 ICED C[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCN(S(=O)(=O)c2cccnc2C#N)C1 443217035 CWQKXSXCFVOILL-SFHVURJKSA-N 446.514 0.599 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 460493230 WKGNIULABFJKJQ-LLVKDONJSA-N 426.394 0.538 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460946001 CMQVTSUFEPZBKO-HOTGVXAUSA-N 439.586 0.207 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC3CCN(CC#N)CC3)CC2)c1 464990883 ZVYRNHWDAACHAD-UHFFFAOYSA-N 433.578 0.799 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471074438 DORXQOBALKHEDY-UHFFFAOYSA-N 449.533 0.652 30 20 ICED CC(C)[C@H]1CN(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471213852 VOPDUQLFLCCRHW-LJQANCHMSA-N 433.578 0.663 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)c1C#N 472064056 QPIJBOCZSCIBKP-UHFFFAOYSA-N 437.551 0.472 30 20 ICED CC(C)Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 475178661 TYWXNJGJKBOEKB-UHFFFAOYSA-N 444.517 0.882 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cc1 476225574 DNBWMOMLHHZXQI-LEWJYISDSA-N 426.517 0.999 30 20 ICED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCN(CC#N)CC1 500088289 NDUIGDBQQFFNAC-UHFFFAOYSA-N 426.564 1.000 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 505659933 LDSGZYJISYFHQO-HNNXBMFYSA-N 447.561 0.033 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n(C)c1=O 510119605 PVUNWICNBHCCEJ-QGZVFWFLSA-N 435.488 0.060 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](CS(N)(=O)=O)C1 511570200 HNXWQGGDTLKYRD-MRXNPFEDSA-N 425.555 0.952 30 20 ICED COC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 513294150 NSPJZPPLWOTXSN-GFCCVEGCSA-N 426.408 0.950 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccco2)c1=O 514305662 CINAYQAUXURSOB-UHFFFAOYSA-N 444.557 0.597 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 515736220 VWZCMZAWWNFCDL-LLVKDONJSA-N 439.437 0.549 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 522537124 VULLLQNYAAGFBK-UHFFFAOYSA-N 434.477 0.716 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccsc3)c2=O)cn1 523182466 NIKDDUOMAPSWKN-CYBMUJFWSA-N 443.554 0.831 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1ccccn1 523571989 ATNNXVKALKGETK-UHFFFAOYSA-N 435.465 0.705 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 524418814 GSMFYMCKHPEBTI-UHFFFAOYSA-N 438.469 0.809 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NCC#N)CC1 532208272 DAIKWSMHTNMKDM-UHFFFAOYSA-N 428.898 0.601 30 20 ICED COC(=O)[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 535764232 ZUJMBPUIZDEKFM-FQEVSTJZSA-N 434.518 0.322 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3cnccc3C#N)CC1)OCO2 551191961 KUVBSWLTPSOPFR-UHFFFAOYSA-N 437.412 0.756 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 553204310 MSYKZBUNKCRQED-CCNLRDMRSA-N 447.561 0.425 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCOCC1 557949306 AFQTYDJQCHRQKP-QGZVFWFLSA-N 431.468 0.100 30 20 ICED CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 559674461 WXNDTVYXIMECQV-UHFFFAOYSA-N 436.516 0.859 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 560053347 XXINPWMORKSZNK-UHFFFAOYSA-N 435.423 0.664 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 578943394 FLCNWJATYIWQDU-UHFFFAOYSA-N 428.518 0.904 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n[nH]1 587647568 JQIFKTNJNTWIAW-UHFFFAOYSA-N 436.520 0.855 30 20 ICED COc1cc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc(OC)c1 588124195 ZGXKLMRIOSFLCU-UHFFFAOYSA-N 429.521 0.452 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(OCCCO)CC3)C2=O)cc1 588869160 FLUKXNVGTSYDDV-IBGZPJMESA-N 428.489 0.165 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 603587128 JBIDEMXJSQANNB-QXAKKESOSA-N 448.520 0.570 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)nc1 610769057 VFHABKDKMKMEBT-UHFFFAOYSA-N 439.541 0.263 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 612202062 ZHPAUGRPYFNRDS-UHFFFAOYSA-N 445.476 0.893 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cn1 729031997 WPGPILFWQNNGID-UHFFFAOYSA-N 432.458 0.358 30 20 ICED COCCN1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 729068889 BLCWCXCJHAXOAO-NEPJUHHUSA-N 432.389 0.508 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 732154119 OPJYTNYDGHWQQY-DPHDRGAJSA-N 426.429 0.663 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)NC1CCCCC1 732466404 NFEBFVGFBCFKNN-VXPUYCOJSA-N 432.525 0.289 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cc2)c1=O 732663017 JGIJKJWXJKXQOF-UHFFFAOYSA-N 429.567 0.943 30 20 ICED N#C[C@@H](C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 732908514 NRDZOBMFBFABFJ-KRWDZBQOSA-N 438.527 0.305 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 735116226 DLLWBVPGYOOCNH-HYLQGWQCSA-N 428.445 0.401 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 737269434 BWDIRPFVALTRGU-UHFFFAOYSA-N 435.484 0.887 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 772274308 FGDFHIMYTCEFOJ-UHFFFAOYSA-N 448.480 0.991 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc[nH]n1 772547870 KZJPAYOWZDQOIN-UHFFFAOYSA-N 449.489 0.550 30 20 ICED N#CCCCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 776118867 XRCJFYKBCKCFIE-ZDUSSCGKSA-N 441.487 0.373 30 20 ICED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 786124272 QHNGGHGYPIBCGA-INIZCTEOSA-N 441.492 0.539 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)o1 791264885 UJIZEFTUSZTDRZ-NSHDSACASA-N 433.442 0.769 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N(C)C 794230535 GNVZNSQPIHVSMD-AWEZNQCLSA-N 430.552 0.147 30 20 ICED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 799844115 AUNVIHVYOAJQBP-UORSSNSFSA-N 435.506 0.079 30 20 ICED O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)[C@H](F)C(F)(F)F 810183287 UDFWMHNIRSUAPG-YUMQZZPRSA-N 449.320 0.377 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 912685136 VEYTUJBJSMPOKN-UHFFFAOYSA-N 442.453 0.474 30 20 ICED Cn1c(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)nc2n(C)c1=O 913374187 RGDNKMIZDOUZSJ-UHFFFAOYSA-N 427.804 0.953 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 914820668 KUMTWQWXJUYWBZ-UHFFFAOYSA-N 442.476 0.994 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1299302012 JOTXAUSATCZYQD-UHFFFAOYSA-N 443.533 0.472 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1315610559 ZHCDDNHZKGWIQM-IFXJQAMLSA-N 433.490 0.232 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCOC1 1320026420 GICQOTOOHARAGN-OAHLLOKOSA-N 427.530 0.529 30 20 ICED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1494602382 MZMXYZJFGBXMFC-MRXNPFEDSA-N 425.493 0.386 30 20 ICED CCC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1514330449 ZYEPXZOFIGTLFH-DJIMGWMZSA-N 439.586 0.880 30 20 ICED CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552695544 PBPJAPPDQXZRSI-QGZVFWFLSA-N 428.541 0.445 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1696090721 NNXAQVCXWHGZSV-AVRDEDQJSA-N 447.584 0.685 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765585551 FULQZIIACPMZQS-MRXNPFEDSA-N 430.557 0.755 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1778267138 OGGWRIOAKXJODF-HSZRJFAPSA-N 425.533 0.558 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778787349 FKKWANYFQLVFOI-JXFKEZNVSA-N 434.424 0.205 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779529229 DHZPDNUIXAXYSW-NRFANRHFSA-N 439.403 0.943 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200846 HFDVTCPXJPPBNM-JOCHJYFZSA-N 439.472 0.926 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355865 UBSMCXILSJRQBC-KSMMKXTCSA-N 431.555 0.410 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1781967339 XHEVCOPEDLYLQM-NRFANRHFSA-N 441.419 0.715 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c(Cl)c1 1781968472 PXUZNXVBKGGAST-HXUWFJFHSA-N 445.863 0.207 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1782056901 KAMJGVWSQPXZOY-HSZRJFAPSA-N 425.533 0.558 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195517 CYOJPLDOXLRHKM-YCRPNKLZSA-N 439.476 0.325 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(OC(F)F)cc1Cl)CCO2 1783558410 ZCOONTDEZNXUCF-GOSISDBHSA-N 443.790 0.868 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1784929039 KUXZEVJGDLAVKV-DXLWNWQMSA-N 444.488 0.758 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370159 ZQJOGWCBJCDODD-AOMKIAJQSA-N 425.489 0.724 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1785375436 ABDTYUCYJHCAPA-HSZRJFAPSA-N 449.467 0.575 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1785574706 OQZUTNALJIGROS-ZHRRBRCNSA-N 437.537 0.894 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1785596521 YTAKTALYHGXWBD-XMDBHEJHSA-N 446.508 0.718 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788682583 IUWBHMXLKLJFKX-PGCGBOAUSA-N 432.521 0.983 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)cn2[nH]cnc(=O)c12 1789172775 PNWHXSMJNGFROU-BPUTZDHNSA-N 426.477 0.474 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789181800 GLFRUPDDJGVFQT-QSPRXWTASA-N 431.489 0.977 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789904642 GQJRYLPMWRVESY-CJCBUOBESA-N 430.480 0.731 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790130580 MPOYJOPGJODRCO-UDTPNQRGSA-N 429.517 0.952 30 20 ICED Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1C(F)(F)F 1791073968 HKWDVTFPHFMNNV-DRZSPHRISA-N 428.367 0.120 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791602836 YVYSNPXOYUKQAE-ULQDDVLXSA-N 432.477 0.345 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CCCC3)C2 1792488433 ASGZJHFGHDOKJE-YUBWNGLZSA-N 428.489 0.615 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1793313917 SFTMLZXZHOAAMZ-DQEVTTJGSA-N 448.545 0.284 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)C2 1793346353 MLLWGNBZCUXWQK-VOZWNJQISA-N 432.542 0.811 30 20 ICED O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795847592 LLHBGZODMPXSMN-UPHUGPLXSA-N 443.500 0.298 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104512 DNTQYHAJRLFVPN-AMVTXUCVSA-N 426.473 0.208 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnn2ncccc12 1796278469 XAYRBAUEZLVLBW-UPHUGPLXSA-N 437.500 0.631 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797706971 VMWNVUOMINZSIV-CXHZTBPHSA-N 435.546 0.641 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797786171 PFRLWDKJDSEDHA-IYWMVGAKSA-N 436.505 0.839 30 20 ICED Cn1ccc(=O)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1798528843 STJDDCFUTIQSJV-UPHUGPLXSA-N 427.501 0.287 30 20 ICED CN(C)[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccc(Cl)cc1 1800307506 LHZPOUJJSGPOPI-VZJWBNGJSA-N 433.892 0.620 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCn3ccnn3)c2c1 1801394419 ONTJIYVXULSWCF-CCWDJLKJSA-N 434.460 0.320 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC=O)C3)cc1C#N 1801850069 PEZZQAPFTDIENH-DEYWJSPQSA-N 428.489 0.683 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CN3C(=O)C=CC3=O)c2c1 1802543205 PKQMXPHVJWKYAU-QDMKHBRRSA-N 432.440 0.611 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1803733871 CYGYDQHJTJTGGD-ZEUIOTOJSA-N 436.472 0.755 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1808439751 CEYMCRKXKWGNCQ-LPHOPBHVSA-N 437.518 0.641 30 20 ICED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1809293633 YCASBFAUHPEGBH-UHFFFAOYSA-N 445.483 0.709 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810357099 OLRMYJHKUBOCCP-ARIWPUADSA-N 443.504 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1811585792 RHHPBHBHCZMNPT-WUDFEMJASA-N 439.472 0.740 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1814323797 UBVBWCDXJKBDEN-CYBMUJFWSA-N 439.559 0.798 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nccn1)CC2 1819907258 NMHCPGVJSNIRKB-NSJHELBRSA-N 433.494 0.876 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822922670 YNXPAUKVHGNXCZ-RYUDHWBXSA-N 437.522 0.157 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823116661 HVUASAHWQKZYAQ-UCPZFEKQSA-N 433.494 0.876 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832589976 APGITGJTSREGBO-JOCHJYFZSA-N 431.558 0.976 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1C(=O)O 1833609191 IFGSHAVDECPMLK-BFUOFWGJSA-N 440.522 0.551 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833677369 GFPMWTSSMMZBOY-SZNDQCEHSA-N 434.468 0.535 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768685 JTIQSLSLGMRUOS-IERDGZPVSA-N 436.509 0.756 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)OC(C)(C)C 1835209967 AVUHURNTXPHJET-NRFANRHFSA-N 436.509 0.613 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1836857362 MUGUNYNSKAIMPM-LJQANCHMSA-N 435.565 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193428 KXJXOHVMNYIDPS-BTYIYWSLSA-N 427.461 0.066 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837193590 UUPGNJOOXZCHTQ-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837399439 UBONSIYADZYSBK-VGOFRKELSA-N 448.520 0.309 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837446725 NYFLVGHZVBNVDM-ZZAWEDPDSA-N 444.536 0.371 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837490656 KFHIBEXUUAUZNT-QHCPKHFHSA-N 443.500 0.556 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837676787 WOMVBMPQKWOTAR-HXOBKFHXSA-N 442.516 0.933 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837680350 IFNSVOZFILTIEA-WMZHIEFXSA-N 447.532 0.849 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837991898 DELDWJDGEYEIRP-UHFFFAOYSA-N 448.545 0.864 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4snnc4C4CC4)C3)C2)c1 1838736222 RIHXUFRAKDIETJ-FQEVSTJZSA-N 442.501 0.999 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839173176 CVMOQIFMHQHEER-XLIONFOSSA-N 428.551 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1839174373 YECWBWPZJGLLEI-QFIPXVFZSA-N 431.489 0.969 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2)C(F)(F)F 1839519032 QUSBQRAYQYSTQN-GOSISDBHSA-N 444.410 0.854 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)CCO2 1839674258 PZWAJEFKRYTOGV-PQYDMZPBSA-N 440.587 0.957 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839715369 WAXCJPYWIZOSPD-WWSMJKQFSA-N 449.508 0.177 30 20 ICED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)COC1 1839775310 VIWQPKMNAPCDEO-QHCPKHFHSA-N 427.501 0.984 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1)C(F)(F)F 1839895289 UMISUEYGYAAZEG-YJBOKZPZSA-N 435.443 0.866 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(F)(F)F)C2)C1 1840041334 GWUMUBBHGULHMS-SFHVURJKSA-N 441.362 0.258 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)C 1840812186 FANDDPXLSCXTDJ-VGSWGCGISA-N 434.537 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840823561 XQDIESHLVMWCKX-LSLCWXNRSA-N 427.448 0.347 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1840908487 BWBRXQHYAQWYFA-IERDGZPVSA-N 439.509 0.006 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1841056447 IPEHOTRVYYWIBK-HJWRWDBZSA-N 448.479 0.791 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 15527665 PBWWDNIUCIIIAM-IAGOWNOFSA-N 444.513 0.566 30 20 ICED N#Cc1ccc(O[C@H]2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nc1 427464961 YHGWLPGVGQQQGT-RDJZCZTQSA-N 441.469 0.386 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 428244482 VJJGVBPJPUODNL-UHFFFAOYSA-N 428.442 0.927 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 430394606 PAAPGSZXXCBPSO-HDAAZOAOSA-N 434.581 0.733 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 434343601 XCKUSYJHYIZCRR-OAHLLOKOSA-N 441.517 0.940 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C)C1=O 440979151 CMINYBPSUJFPRA-CQSZACIVSA-N 426.452 1.537 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c1 443267035 DAHNRUDOCNASNB-UHFFFAOYSA-N 445.383 0.989 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 484317850 XYQQBAPKEJJHSG-UHFFFAOYSA-N 436.538 0.499 30 20 ICED C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 485856425 DGHSVKORDWMQNV-MRXNPFEDSA-N 449.577 0.626 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 501996498 BVWXBHVNOLQSJT-UHFFFAOYSA-N 446.529 0.671 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 508032126 IZCPOKONZAIMQI-OAQYLSRUSA-N 433.512 0.941 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)NC(C)(C)C 508309954 VEMJTTCOMBUDFK-UHFFFAOYSA-N 433.494 0.290 30 20 ICED C=CCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508748256 QKQGKARWRTXMCS-UHFFFAOYSA-N 443.489 0.729 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 511592832 MOOAEXLEDNSVSD-UYAOXDASSA-N 427.549 0.070 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2cccnc2)c1=O 512776306 LRYLINNFOFVVHA-UHFFFAOYSA-N 436.541 0.792 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCCCC3=O)CC2)cc1 518030688 STSTXYHOPQUBFI-UHFFFAOYSA-N 433.534 0.977 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 524579312 MNPKJAALWHQVGV-MRXNPFEDSA-N 442.563 0.731 30 20 ICED C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 525327537 USMVYHBZKIOTLF-UHFFFAOYSA-N 436.534 0.950 30 20 ICED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533036650 KHANKERPQOOKGX-CYBMUJFWSA-N 431.474 0.584 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 537488231 VZWCPDWGQSGXFX-UHFFFAOYSA-N 436.534 0.997 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 540787363 DOOLDKXIHSTOQH-UHFFFAOYSA-N 430.486 0.869 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 548617468 IMOHZYVQUHKODI-OAHLLOKOSA-N 443.481 0.963 30 20 ICED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 549259667 BRRWRTXKIYWJPO-UHFFFAOYSA-N 443.533 0.850 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 553555063 TVZVYZIFUVYZMA-KRWDZBQOSA-N 440.522 0.501 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 569018509 MVNQNJWTEHLFPJ-CYBMUJFWSA-N 434.444 0.607 30 20 ICED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 574588857 QVYXGQWJLKPASA-UHFFFAOYSA-N 434.500 0.882 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)CC2)c1C#N 576073153 MRPRMXBCAICUPK-QFBILLFUSA-N 438.532 0.920 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)c1 580369942 LKCQLSOSNWDXGB-SFHVURJKSA-N 433.472 0.309 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1ccc(F)cc1 589467218 MMUASSHCIRUDMP-KRWDZBQOSA-N 435.433 0.712 30 20 ICED COc1ccc(CCN2C[C@@H](C(=O)OCCn3ncc(C#N)c3N)CC2=O)cc1OC 729806351 DEDKBOPOYLHABI-HNNXBMFYSA-N 427.461 0.989 30 20 ICED COc1ccc(N2CCN(CCNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732456298 UZOXSBPTDWCJGJ-MRCUWXFGSA-N 442.520 0.643 30 20 ICED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 732484007 NCXHYUBOMHIGSJ-UIFJYSFJSA-N 449.533 0.423 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cnn(CC)c3)c2=O)c1 732564693 OOLFPTFJKPJNBE-UHFFFAOYSA-N 429.505 0.902 30 20 ICED C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 737307547 RTHMBOMULOXHNL-HFKSAQAGSA-N 441.488 0.881 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O 739831334 NBLXRKBGBLPNID-UHFFFAOYSA-N 434.861 0.685 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 741341403 JVTRAVDAXXQQLT-MRCUWXFGSA-N 430.436 0.934 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)COc2ccccc21 741637170 STWQTHDSPIMORX-UHFFFAOYSA-N 428.470 0.657 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 745358047 XXHRENXPWMKOHT-CYBMUJFWSA-N 433.490 0.952 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746665238 ZQAXBYILSUHMEB-LTGZKZEYSA-N 445.567 0.949 30 20 ICED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 747021176 QEFOJPAKYSQUBQ-OAHLLOKOSA-N 427.442 0.163 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 747570805 KMRMNJHDERRKAE-JSVDUPIDSA-N 445.480 0.167 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 747735958 DFWNBJGQLKCLOA-UHFFFAOYSA-N 426.498 0.906 30 20 ICED COCCc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1N 754803233 BKJVXKIFYKXPTM-INIZCTEOSA-N 433.513 0.821 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)Nc2ccccc2SCC#N)n(C)c1=O 754803692 PTABYACVYKJXRZ-UHFFFAOYSA-N 442.457 0.231 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCOC 755629021 WWIJADNACRZHKQ-UHFFFAOYSA-N 431.562 0.444 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N1c1cnn(C)c1 758547003 YKLLGCGNPMCZJA-VDERGJSUSA-N 431.497 0.972 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)o1 760375273 JQYASNLHUOLLOR-UHFFFAOYSA-N 440.506 0.788 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3cccs3)c2=O)c1 763444793 CCURHAIMVFHBTH-UHFFFAOYSA-N 440.550 0.720 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 783347963 OTRODRQIBFAAQY-UHFFFAOYSA-N 445.563 0.679 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 785284785 MJUSRGZBMUVBDT-NXQUOZRTSA-N 429.429 0.868 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787778782 ROGPXLQSFLUVFQ-GDBMZVCRSA-N 446.508 0.622 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)n1 789788255 FWKNWMBNLOCIES-UHFFFAOYSA-N 425.489 0.761 30 20 ICED CC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc2[N+](=O)[O-])CC1 793204002 NGIMGEVNONYPMS-UHFFFAOYSA-N 435.462 0.627 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 808328734 SHEPQHLOSRHSPM-HZPDHXFCSA-N 429.543 0.083 30 20 ICED C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc12 811519377 ZXKCIFMMYGCJCC-SNVBAGLBSA-N 443.445 0.352 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)C(=O)NC)cn1 813562672 AVKHXDYJDMNSLL-WCQYABFASA-N 430.494 0.788 30 20 ICED COc1cc(OC)cc(N2C[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)c1 813979597 USODFDNBDRCELK-CYBMUJFWSA-N 430.442 0.828 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CCN1C1CC1 815491527 RKJJEAFLSAGJNS-QGZVFWFLSA-N 446.529 0.777 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837284753 IOEWEDFNTYUPHS-UHFFFAOYSA-N 449.536 0.937 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 914831712 BMCZYMLRVYUOGQ-FQEVSTJZSA-N 440.525 0.583 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O 915637203 AMFLZAULVOWWSF-KRWDZBQOSA-N 428.515 0.401 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOC 916198259 IGPIFJPNDXTHDR-UHFFFAOYSA-N 445.541 0.993 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCS(=O)(=O)Cc1ccccc1 917116095 JITDEYWIUANLOA-UHFFFAOYSA-N 435.527 0.846 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 918587577 GDVUUPOVPBMVGI-UHFFFAOYSA-N 434.430 0.654 30 20 ICED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 919098023 LMXFKJJNNQBCTP-QGZVFWFLSA-N 426.477 0.821 30 20 ICED N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 920409112 SEJORTDTJUSKHL-KRWDZBQOSA-N 440.547 0.021 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1286857356 QRTIDOBSBJOOBX-FMKPAKJESA-N 425.559 0.885 30 20 ICED CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1291183961 KPNOFEJWIMLTIM-JKSUJKDBSA-N 425.559 0.349 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1298133018 JKMYAJUZZIFNLC-CQSZACIVSA-N 438.460 0.821 30 20 ICED CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)N[C@@H]1C 1318156854 LTHHJKAIUWFNBU-OCCSQVGLSA-N 426.429 0.973 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c(=O)nc1O 1467666803 OATXVSSZTMXPPN-KRWDZBQOSA-N 446.895 0.847 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1472599105 SRKJKPNKSZELGB-LEWJYISDSA-N 440.525 0.948 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1503809657 UMWLMYPGFKCXEX-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1508214748 IPABRKDBUCWVJR-TXPKVOOTSA-N 438.529 0.881 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1512406514 KXLCDQOJWOJPIJ-HNNXBMFYSA-N 443.533 0.519 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)O)c1 1552880667 KXSZSZOUNUSFAX-HNNXBMFYSA-N 434.522 0.695 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cccn1 1611707741 XIRZTOMQKPREPL-RDJZCZTQSA-N 447.569 0.352 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1620347375 STEZHIITKHXCAC-UGSOOPFHSA-N 436.469 0.645 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1729558609 LREGTOTURZXRAF-LJQANCHMSA-N 435.506 0.361 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740803427 RQYARSMNHDPZTP-CQSZACIVSA-N 445.977 0.979 30 20 ICED CC(C)(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750485191 MFLGRHFNSPWEKV-QGZVFWFLSA-N 442.568 0.995 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1778790862 ZIHSQTVACSGTCT-QXATTWAWSA-N 444.488 0.822 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1778948381 HIFYIFDGEOEJPY-ZHRRBRCNSA-N 427.505 0.638 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779018718 FSIGYBAUSUDTFU-OVRHDEQLSA-N 425.493 0.645 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779101053 GVNZJDYQOQCICN-ZMTYOYNLSA-N 442.476 0.930 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122578 FOGRFIXEDKLDFU-HRAATJIYSA-N 434.493 0.116 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780596971 IGLJMQIOFBPSRA-DENIHFKCSA-N 443.456 0.497 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781188060 PCKJTRXYKCRBMZ-QVKFZJNVSA-N 437.493 0.296 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)[S@](=O)c1ccccc1 1781499520 JRESYFMUKSPJJW-DOEQHXMRSA-N 446.525 0.785 30 20 ICED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)C(=O)O 1781974839 QLBOUDBBBMQXRE-HXUWFJFHSA-N 448.863 0.198 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192749 UTIBBXAIAAONCG-HXUWFJFHSA-N 445.501 0.313 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782560589 KFDKAAJRPXJKBS-AUSIDOKSSA-N 445.564 0.735 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564690 CGZVVZSCSVMPRA-OYHNWAKOSA-N 447.488 0.161 30 20 ICED COC(=O)[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)OC(C)(C)C 1783784192 NUDMIVGWERQGAL-VLIAUNLRSA-N 438.481 0.186 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4)[C@H]2C1 1790445018 VZZDVXZMCJDRRA-XIVBQZFQSA-N 425.485 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)Cc3ccccc3)[C@H]2C1 1790952586 HPHMIYQBRIMUKR-NNEUDLRQSA-N 441.528 0.428 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(C)C 1792616682 CANKLXXXHJGOIY-SFNKJDCFSA-N 437.537 0.918 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1792920899 TZGIQVDEKIIKPV-OWLYRPNTSA-N 427.567 0.672 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)c(C#N)c1 1794209931 GXJZIAQRPNURHV-KYHPRHEASA-N 439.472 0.346 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)c(O)n1 1794490075 ULOXRMRNRBPJRM-CCWDJLKJSA-N 426.477 0.401 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415940 MZQDONWUDKANKL-FRQROOTJSA-N 426.560 0.541 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797713078 FCZRBWSDHHNWPF-RMHZUWNSSA-N 441.484 0.598 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)n1ccccc1=O 1797815660 SJRKZRDWUGRCPZ-DHDLKNTASA-N 446.504 0.528 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2 1799304051 JWAFCSVAYVTMGS-YWVIFJGQSA-N 426.420 0.991 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)ccc1F 1800134027 IAALDJLRIBHNHA-WYADAEROSA-N 430.480 0.529 30 20 ICED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811789966 AJCCDUDEDXNIGI-WIYYLYMNSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(F)cn3n2)[C@H]1c1cccnc1 1812880592 QCQLTRKKDRQZDA-LIRRHRJNSA-N 436.403 0.671 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176376 UTYHXTFSQCVXDB-KUDFPVQQSA-N 426.473 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 1818028140 REOOIFZJUBMEPL-AFNCTOJWSA-N 441.448 0.775 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819361220 RYOTXPQBLAZNBH-UONOGXRCSA-N 432.481 0.527 30 20 ICED CN1CCCn2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)cc2C1 1822203496 ZVDBWKLQQQGKKA-QGZVFWFLSA-N 439.476 0.836 30 20 ICED COCCOCCOCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822258706 YUYUGHHGAMGKIV-INIZCTEOSA-N 436.465 0.560 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902108 HRECUIRUHMHQCC-AMHTUMDSSA-N 428.533 0.931 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465618 OEJMXPPLAVHGNB-OAQYLSRUSA-N 433.892 0.284 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1831386809 KIKDJFKCSBJZCZ-JLTOFOAXSA-N 437.880 0.549 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)ccc1F 1831754957 NXGPIPVEENNNDC-FQEVSTJZSA-N 445.476 0.862 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832815114 NOCQXGLTIYZAFG-NRFANRHFSA-N 434.493 0.308 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3CCOC)CC2)CC1 1833465593 KIWCMIXHKSUTEH-SFHVURJKSA-N 445.564 0.753 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833775498 YUBNEZDPHDLEEX-QUOJIARXSA-N 438.506 0.742 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834773043 FPQOYYVKFILLCU-MXQUFTJQSA-N 433.461 0.274 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835349657 PJZQWJGEFNQWIV-NRFANRHFSA-N 448.520 0.804 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1836858311 JFRXSDOQOPSMLH-MRXNPFEDSA-N 431.489 0.736 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836884291 WZKDHZMQDHDYKV-NQIIRXRSSA-N 443.610 0.590 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)co1 1837488503 IEFLWNXQRDUNJW-QFIPXVFZSA-N 431.489 0.752 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837524426 HTDGWNFAYLBTLG-SHRSOGDZSA-N 433.465 0.076 30 20 ICED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1837842296 ZAQSSEMTHKVTIA-FQEVSTJZSA-N 441.532 0.763 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1838357883 LGRXXFCWZGCKFK-KRWDZBQOSA-N 436.509 0.743 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1839066516 KRYASMCZMCWCGL-YKSBVNFPSA-N 447.576 0.483 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839175711 ADVMRHVQTATBGZ-OAQYLSRUSA-N 425.526 0.292 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1839451718 KLCCERCJJPIYPD-HXUWFJFHSA-N 431.518 0.563 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4nc(C)no4)C3)C2)c1 1839452118 HFYHKOGZGAWEJY-QFIPXVFZSA-N 439.472 0.871 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)CC1 1839759602 BFAHEVTWRNSNHP-HNAYVOBHSA-N 428.551 0.741 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(C(=O)OCC)ncn4c3)C2)C1 1839808401 ZDYHLLXNHRUXQR-JOCHJYFZSA-N 440.456 0.214 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1)C(F)(F)F 1839892026 OHUQFVQIKFZENQ-KRWDZBQOSA-N 431.367 0.274 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063140 RXUGWJRPOKLIOR-NRFANRHFSA-N 433.461 0.367 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)cc1 1840105346 LHKOYVRZQNXTLO-QHCPKHFHSA-N 440.500 0.641 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840160353 FNYVNLAHQHNPRH-YWZLYKJASA-N 431.518 0.656 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840174149 LFOXETCSSJDDHR-NRFANRHFSA-N 443.460 0.325 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840175812 GTMDOLKFJIGFRO-VSDWSMLSSA-N 425.485 0.929 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275047 RAQXIAMTKYLJGZ-URUMQQEASA-N 433.505 0.706 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840292598 ALKZJTHGDLHRNO-NRFANRHFSA-N 430.461 0.438 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840589386 IQHDNGVPWHIHNC-XMSQKQJNSA-N 438.521 0.769 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818874 CPAPRAARSIFXQW-HYVJGQCMSA-N 444.532 0.767 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1840920643 CNGCVQIDRZWLGB-WMZHIEFXSA-N 442.516 0.308 30 20 ICED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)c1cccs1 1843234825 UHFCMMPYCZKVCM-SNAWJCMRSA-N 439.457 0.130 30 20 ICED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194867 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YQOWPOMKYSAAMI-SFHVURJKSA-N 435.488 0.901 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 502101407 RZURQYFLGDBSER-CQSZACIVSA-N 444.556 0.777 30 20 ICED C=CCN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 512083636 KTNKGXBNNGMGQS-AWEZNQCLSA-N 448.588 0.648 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 512436465 KTAAWVCFABJLGW-QGZVFWFLSA-N 427.486 0.509 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O 512462404 IQHUJJZYVOXHOO-UHFFFAOYSA-N 448.501 0.113 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521251161 UKVDTFDCMVZDGE-UHFFFAOYSA-N 446.485 0.502 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)s3)c2=O)cn1 523179147 BYQOZZSTTZARRS-UHFFFAOYSA-N 443.554 0.751 30 20 ICED CC(C)COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 536650700 MMNCCFXWARYGJI-UHFFFAOYSA-N 442.541 0.458 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542013836 RZHHHPLQWVCPSB-UHFFFAOYSA-N 436.515 0.945 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)n1 542998174 MDRGSOUVHINREF-MRXNPFEDSA-N 443.895 0.792 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568147112 OYAXNVKENFAPII-AWEZNQCLSA-N 425.474 0.236 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 571559738 VTQQRRBGULJXIA-XAMWDVODSA-N 447.495 0.130 30 20 ICED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 580931916 OEKGMRQUUNSUNO-UHFFFAOYSA-N 438.465 0.853 30 20 ICED N#Cc1ccncc1N1CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 584149354 FSBFRSSESPATBB-QGZVFWFLSA-N 440.485 0.055 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 585709730 FOBXOIRXXLBPNB-UHFFFAOYSA-N 427.553 0.180 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H](C)N1CCOCC1 588062488 ZVYARSPGQBAWRL-LSDHHAIUSA-N 430.509 0.298 30 20 ICED Cc1nsc(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)c1C#N 589604765 HGQHVNYHQCTJEX-UHFFFAOYSA-N 446.558 0.915 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 613161683 BRFNKWAPLRYBSA-UHFFFAOYSA-N 432.510 0.146 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 732154878 VLEWHMAOYBNWGN-MVHSAIJSSA-N 432.477 0.611 30 20 ICED COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 735224830 DBAVTUVYKWNDBO-MRXNPFEDSA-N 448.501 0.778 30 20 ICED C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749669654 HQMZBXREKFQWKF-OETDOYICSA-N 433.494 0.234 30 20 ICED Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 757588376 BCZPORKQVTWKBT-JSGCOSHPSA-N 442.476 0.430 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758644995 OBCJNBGSYSMQLV-RBSFLKMASA-N 430.527 0.855 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 758771771 OMHUEXDSNRWTCF-SJORKVTESA-N 434.541 0.695 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCCO4)c2=O)c1 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N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccnc4)CC3)C2=O)cc1 477127093 QFUGCPPADNMKFE-GOSISDBHSA-N 425.470 0.592 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)nc1 489003868 BDXXHWYHDIVLEX-WBVHZDCISA-N 425.510 0.901 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 503305184 LBONXJJRLBVKRF-UHFFFAOYSA-N 437.504 0.269 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 514762190 HXYHMDNCEUNSSE-FQEVSTJZSA-N 441.517 0.402 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 515856312 QZGRAWLURYEFBW-ZDWFVDTJSA-N 440.500 0.572 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2=O)n(C)n1 516218573 ATKHHSQLZQMXBQ-AWEZNQCLSA-N 433.432 0.041 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536419207 FLCQEVDVTFDKDU-KRWDZBQOSA-N 444.517 0.840 30 20 ICED C[C@H](C#N)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 538111345 OEESESCEYIQXGG-OAHLLOKOSA-N 449.533 0.522 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542076221 ONNLOSGDEPOJCA-CQSZACIVSA-N 448.480 0.750 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(N4CCNC4=O)CC3)n2)c(F)c1 543000202 DZDYPBYWCDDQCM-UHFFFAOYSA-N 425.424 0.838 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)c1C#N 552518382 BBVDLOXDRXQSDY-LJQANCHMSA-N 449.515 0.166 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1 552707594 HYWRVXPDRCSNKR-AYHJJNSGSA-N 434.562 0.964 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 561485303 YERIMEXBULOLHA-UHFFFAOYSA-N 441.307 0.432 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCS(=O)(=O)Cc2ccccc2)cc1 569396021 VBXDSOSGRKVRHJ-UHFFFAOYSA-N 435.527 0.958 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@H](C)O1 581761291 GFMNWGSZEAMENW-KBPBESRZSA-N 440.508 0.902 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 604103070 WJQJDQACFXKIBH-UHFFFAOYSA-N 443.533 0.221 30 20 ICED C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 619565362 NUURBQZCHHGENU-QGZVFWFLSA-N 442.559 0.831 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726110421 GXHQKJKZDKPJDC-CYBMUJFWSA-N 430.556 0.252 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)s1 729673181 GWSPBJFXLMZOFP-UHFFFAOYSA-N 437.568 0.106 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732796827 JKLADCZMUXTALM-UHFFFAOYSA-N 445.545 0.086 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 755547409 OJKPRCVKDQFWOC-GXTWGEPZSA-N 443.460 0.856 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 758663325 SWFACNAQJPLXCA-NRTGNBEESA-N 442.538 0.781 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 762743532 FCEQBGGKIWQLRZ-QNGOZBTKSA-N 437.503 0.794 30 20 ICED O=C1NC(=O)N2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]12 764506764 GGDQMSYBMISZJZ-AWEZNQCLSA-N 433.490 0.048 30 20 ICED COCCCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 766957335 MYUKLYLRDIARET-UHFFFAOYSA-N 443.547 0.832 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767552914 YVQOMXVGOQTQSA-IIBYNOLFSA-N 430.509 0.892 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O 767675367 IGNTZZOGCDLERD-CYBMUJFWSA-N 434.474 0.633 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 774662928 IRBJFGMXPIQAHV-HXUWFJFHSA-N 433.578 0.992 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ncn(C)n1 782139171 VPMBWWUKPJCJFJ-AKVJFXEFSA-N 433.494 0.444 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 783544811 DTASPAPZQSLRJR-CQSZACIVSA-N 445.519 0.713 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 789789559 ZTJYGYNOZXCNIX-UHFFFAOYSA-N 446.471 0.641 30 20 ICED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 800847079 LORGUOHIYIJAFS-UHFFFAOYSA-N 437.474 0.432 30 20 ICED CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCCn1cnc(C#N)n1 804620988 CTHWTXRSDXSOKO-LJEUOOAZSA-N 434.547 0.978 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 806709443 YOSTVTDSMCHBMY-MSOLQXFVSA-N 442.472 0.208 30 20 ICED C#CCCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 810786362 FLCZQZUVJBLDKC-UHFFFAOYSA-N 440.547 0.708 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc(OC)cc1 837427394 ALFICPFGUVVQGR-UHFFFAOYSA-N 449.536 0.700 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 853721432 DFYLQQGMWSAQCR-CYBMUJFWSA-N 444.469 0.767 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012158 VVNIRZHBZVZVGB-YOEHRIQHSA-N 428.449 0.743 30 20 ICED Cc1nnc(SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1Cc1ccccc1 1122408770 OZLWIQIFMOORSC-INIZCTEOSA-N 447.542 0.693 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[C@H](C(N)=O)CC3)CC2)cc1 1230249552 KTWOKMKAVHZPKW-QAQDUYKDSA-N 433.534 0.866 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359084971 XLPRSENLFMQAIK-NWDGAFQWSA-N 448.343 0.040 30 20 ICED Cc1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1464809986 VBVKLIYGTCDBIK-UHFFFAOYSA-N 443.547 0.615 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)cc1 1468860022 QTOXSWZYAAVXFB-LJQANCHMSA-N 435.550 0.878 30 20 ICED N#Cc1cn(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)c(=O)nc1O 1540358397 ZTJUWMOTACINAI-UHFFFAOYSA-N 438.307 0.989 30 20 ICED Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1543411034 WXVUASQQSTYHKM-LRDDRELGSA-N 437.526 0.860 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1655552993 MHCBVBGMWZBSSB-UHFFFAOYSA-N 449.436 0.995 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCCS4(=O)=O)CC3)CC2)o1 1658981630 LHGODAGZUCDNCG-UHFFFAOYSA-N 436.538 0.003 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC(=O)N1C 1693829508 LTFVCSNHODMJNI-INIZCTEOSA-N 440.504 0.937 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1694740215 KNFITAKJVHFMSE-INIZCTEOSA-N 434.526 0.125 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC(=O)N1C 1743316529 XZNUTVWCWPBIPK-HNNXBMFYSA-N 437.504 0.922 30 20 ICED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1771100360 NRCQMWVKRJWOCD-KRWDZBQOSA-N 435.492 0.931 30 20 ICED Cn1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1C(F)(F)F 1778255261 WYKDDRGBXWBVQU-KZULUSFZSA-N 442.394 0.654 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CC1 1778354950 SQUHCLPNHKTYBP-QHCPKHFHSA-N 439.516 0.166 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779100000 QRSWPFIXZHLAKQ-ZLTNTPEESA-N 432.477 0.819 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102164 CQYQRMKSCDWSEX-NWUNMYDASA-N 439.513 0.053 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779102183 DQCVDQIZAIVYMA-VNFKXGFSSA-N 442.476 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779334492 ZETPZIVENIRUGF-CSODHUTKSA-N 449.508 0.878 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198397 QKPMVXPZZLYXNW-FQEVSTJZSA-N 426.433 0.234 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046725 USCITSGYOHKFEH-RWSYHJDXSA-N 441.550 0.111 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1784483082 ZAYFMPYQJQOEHP-DRMAHVMPSA-N 429.473 0.484 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785686333 QSJFGJVOQMGZSF-RZXAPVBSSA-N 447.467 0.234 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c(C#N)c1 1786648778 MTWOSTYDUFBQEU-SNRMKQJTSA-N 449.529 0.134 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1787124571 CMTVEHXBAPCQDA-WOYTXXSLSA-N 436.509 0.250 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787263008 NIFSPPKNNMIVLM-LUKYLMHMSA-N 427.505 0.896 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(N4CCCC4)ccn3)[C@H]2C1 1787626200 ZTTCKCGZXQLQOQ-IEZWGBDMSA-N 426.473 0.363 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788615872 WUITUYVYQHPOAX-BZSNNMDCSA-N 429.546 0.636 30 20 ICED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788889280 RJMDANGMQLPVBD-VDGAXYAQSA-N 434.452 0.820 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]21 1791075919 DFSYNBIMWDALMN-BXWFABGCSA-N 428.441 0.416 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=O)c1ccc[nH]1)C2 1792563074 GWICWFNTBKOYDV-WZEOQFAXSA-N 427.505 0.631 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CC)N(C(=O)OC(C)(C)C)C1 1792865926 FXQJQTAZDWFCHV-ADHGMGHFSA-N 437.537 0.913 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793259088 HGKNGEUNMCMUKK-SFNKJDCFSA-N 435.521 0.529 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1793342990 DSTHXFJBECAVAP-GUIRCDHDSA-N 439.310 0.424 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3cncnc3)c2c1 1794166068 MQVOQSMSKQMRLS-CWPLJXCYSA-N 431.456 0.670 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1795598712 YWFWEHUKRDLSTM-JLVBRIDZSA-N 425.493 0.214 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)cc1C#N 1795894370 LGYIZZUTEUMJIT-RMFSNUHRSA-N 438.488 0.840 30 20 ICED O=C(CCN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797168897 OGHBZGWTSNSULN-XEMDLRDOSA-N 433.505 0.117 30 20 ICED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797656517 KDISBBADLXOUQR-AMRTZDHISA-N 431.367 0.394 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc([Si](C)(C)C)c1 1797724970 KOXCNLZFFDSDRJ-SNFMQTMVSA-N 445.592 0.886 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncon2)c(C(F)(F)F)n1 1798351751 SGZHQILKYMSZKI-DDFAGTSDSA-N 436.350 0.872 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)c1 1798573818 QWHYBWQJFSNRMY-KUZCPNRJSA-N 449.529 0.451 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799184947 TYTLBACHQFXBQV-DVWBAYGPSA-N 425.533 0.397 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(F)c(OC)c1F 1800779422 BVAYXZMBBIRSSF-XGISUXEOSA-N 438.383 0.273 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1804808677 TXTMKKPXPFOQJR-WRWLIDTKSA-N 435.484 0.933 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2NC(=O)C3=O)[C@H]1c1cccnc1 1810027030 QXBZVIYWHKBJDT-VBKZILBWSA-N 446.419 0.624 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1810252428 IFMQFMBICSXVKK-RYRKJORJSA-N 446.504 0.204 30 20 ICED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1814493457 XCXDEAAFQKVUQD-SECBINFHSA-N 434.503 0.824 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)N1 1825075466 ZTLCGRGIGFAFSP-MUPDODCCSA-N 446.552 0.676 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 1829262690 WNVPYXGKBUCSDK-QHCPKHFHSA-N 435.484 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628818 WQIQZSGKFGDNAR-CYFREDJKSA-N 439.512 0.986 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1829769217 NYOXBRVBCRIYKA-RHVSLNNASA-N 431.464 0.754 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1)C(C)(C)C 1831082700 IUCICQGLLVENOE-LZJOCLMNSA-N 443.610 0.948 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1831393018 IZJZTAZITHABTP-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1831403044 VPVBBBGQVGARGP-MBSDFSHPSA-N 429.517 0.854 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831435577 VLEBTVKQMZZBMX-HJPURHCSSA-N 443.500 0.842 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1833753338 WNXFOYFNXOIZQP-QFIPXVFZSA-N 430.505 0.744 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762124 KYZCOHMTIXOQIO-LJQANCHMSA-N 445.564 0.925 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1 1835087709 SAXXFVCCVSZKBI-OAQYLSRUSA-N 438.528 0.361 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835716159 ZICXYRKEWHLBTN-OXQOHEQNSA-N 436.597 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140673 XHZXJQJLCGTVSS-HNNXBMFYSA-N 432.525 0.756 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837274722 PRLRTHWCESEGDW-NRFANRHFSA-N 434.541 0.768 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447963 ZCZIEMXHHMYKTN-QMPWQUHFSA-N 442.582 0.029 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837550303 XHNCURVTDINKBO-QFIPXVFZSA-N 446.504 0.363 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837563495 ZNSRYSWHXYGNDT-IGPUNGKJSA-N 426.473 0.793 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccccc1 1837613221 YGOPEEKWLNSIEC-GBXCKJPGSA-N 441.528 0.728 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)ccc1F 1838109480 SXTFMAPHDXWAQS-OAQYLSRUSA-N 444.419 0.704 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1-c1ccccc1)CCO2 1838304358 ILJFIZGRCGATJZ-DEOSSOPVSA-N 449.463 0.907 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncon2)CCO3)c(C#N)c1 1838321376 SPQVRJGFYMHIQH-OAQYLSRUSA-N 441.444 0.263 30 20 ICED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838395882 JAVLBRXXUJMHRB-UHFFFAOYSA-N 446.577 0.983 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838762181 DGXACLPAODPARN-QGZVFWFLSA-N 427.383 0.307 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949396 AKBYABQXHUZSHR-OPAMFIHVSA-N 428.489 0.543 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1839229068 YNXQBIVIUSWKEJ-HCIHWQEHSA-N 431.493 0.747 30 20 ICED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488019 RPJROBIJVIZXOC-QFIPXVFZSA-N 440.504 0.456 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CC1)CCO2 1839787627 FQMSFQUWMUJDIA-OAQYLSRUSA-N 446.887 0.916 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839885744 OPPOPMZZZXZFSC-JOCHJYFZSA-N 428.489 0.463 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839888532 SXQBIXFYDQZEPE-GJZGRUSLSA-N 430.370 0.968 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1840158194 IQGSRKYYOVBUOC-HRAATJIYSA-N 437.562 0.906 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1840418539 CNNBXMDTBNFIAH-ZXEFNUMUSA-N 430.465 0.008 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)C=C)C1 1844373730 GHHLFVBCZYFHOU-JKSUJKDBSA-N 432.521 0.797 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](C)N3CCN(C)CC3)C2)c(C#N)c1 1845099216 HFHBUOGZMIQHDQ-SFHVURJKSA-N 439.560 0.949 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845209887 CAQGWPPVZJZZNR-ZWKOTPCHSA-N 429.521 0.347 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)c1cccnc1 1847681836 HFARPBAWUYTLKO-TXPKVOOTSA-N 442.472 0.937 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ncnc2[nH]cnc12 60841887 XOGHCYUNZKLTIB-UHFFFAOYSA-N 440.489 0.194 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1SC 410092929 FCFCMSBBLDYSIU-UHFFFAOYSA-N 431.539 0.539 30 20 ICED CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 430253774 ALFORXIRZLTIQR-NRFANRHFSA-N 426.477 0.913 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 431963273 JRVTXLGJPZFBOT-UHFFFAOYSA-N 435.488 0.781 30 20 ICED COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1=O 433880531 AVCOFLDJWZMVJX-CYBMUJFWSA-N 430.280 0.763 30 20 ICED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 437119721 ZQAKJSMRWMWCMJ-FCHUYYIVSA-N 439.560 0.761 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446531683 NJUAEQNZRDOSGY-UHFFFAOYSA-N 431.493 0.410 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 465417027 MEERAOLCSBYUQF-ZDUSSCGKSA-N 428.474 0.428 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCSC 478860874 ZIYAIFPQHONALL-UHFFFAOYSA-N 435.575 0.316 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C3CC3)c2=O)n1 479377973 OBOFYOIASRAZCI-OAHLLOKOSA-N 426.498 0.447 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 481157076 UMKLAGSQGZKCNJ-YOEHRIQHSA-N 444.517 0.753 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2c2ncc[nH]2)CC1 481214876 WOLFBOXYCVUUBN-KRWDZBQOSA-N 428.518 0.951 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c(C#N)cn1CCOC 481434235 KFNAAKKZQBMLEL-CQSZACIVSA-N 441.510 0.728 30 20 ICED C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 497474538 NRKZBJYPCWQOAI-HZPDHXFCSA-N 442.545 0.989 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)cc2)c1=O 501762789 PHVAWQLZDBWXQG-UHFFFAOYSA-N 425.510 0.953 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccccc2)c1=O 502045603 QHJSBGFXOQZHHW-QGZVFWFLSA-N 435.509 0.431 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 516596011 MUMKEDHMKIUSQN-LJQANCHMSA-N 449.515 0.166 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 516692718 VMGXSUCMPULQCS-MRXNPFEDSA-N 428.532 0.523 30 20 ICED CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N(CC)CC 521589557 DNYGZAQQZHXRMT-HNNXBMFYSA-N 438.506 0.805 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1cccnc1 524107614 QKGIBQAQBUICGN-UHFFFAOYSA-N 432.505 0.731 30 20 ICED N#CCCCOc1cccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 536681784 ZFQRGBBQEGGYRK-IBGZPJMESA-N 434.562 0.790 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1OC(F)F 537566159 BJDFDSOTUKCYHR-UHFFFAOYSA-N 448.451 0.087 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543927252 HHRJHELSQUWNEG-CYBMUJFWSA-N 434.453 0.362 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 544707747 PRKDXDKMZIZTCY-UHFFFAOYSA-N 448.467 0.988 30 20 ICED CN(C)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 554719532 XZORSLPINWGFDL-KRWDZBQOSA-N 427.548 0.050 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 555869544 PPAWYKWVQFQFDE-UHFFFAOYSA-N 442.438 0.690 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 570559690 KWRXCPXMPJMMMO-UHFFFAOYSA-N 427.486 0.319 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 581761880 KVQMTZDKPAMFKI-OAHLLOKOSA-N 443.481 0.963 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CCN(CC(F)(F)F)CC1 582384950 HHSNOIDBKUMGND-UHFFFAOYSA-N 435.410 1.529 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2=O)cc1 584551471 IKFYAZYDDGMHEN-HXUWFJFHSA-N 435.484 0.582 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3OC(C)C)CC2)c1C#N 585721967 VAWCQCTUVUABBP-UHFFFAOYSA-N 425.493 0.747 30 20 ICED CCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 600811208 PYMHZIXVTYEEEA-UHFFFAOYSA-N 447.517 0.502 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603793360 NNYSMCUYWXQGIT-UHFFFAOYSA-N 426.454 0.366 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 611348606 CYYMWNQFRACENQ-KRWDZBQOSA-N 440.504 0.861 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1=O 726042395 BOUXLWKTROQJQV-SNVBAGLBSA-N 434.361 0.450 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CCO1 730074438 UNXWMWCOEGAVCF-HNNXBMFYSA-N 433.490 0.627 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](CNC(C)=O)C1 735472781 DFSHRWXNEWBYDJ-WBVHZDCISA-N 436.534 0.647 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758090850 LYYYGJIPUIHFRF-QGZVFWFLSA-N 441.557 0.821 30 20 ICED Cn1nccc1S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 765656807 WJKORDUEPXNTEY-UHFFFAOYSA-N 439.519 0.524 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 784847697 CFFCFBQDGVZGBL-INIZCTEOSA-N 449.577 0.545 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 785155848 KZQKHLJMDFOBEQ-UHFFFAOYSA-N 437.518 0.964 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)n(C)c1=O 786531639 SASRHNKXSANBQI-ZDUSSCGKSA-N 428.836 0.112 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cncc(C(=O)OC)c2)c1 788491752 MTNRXAFDVGYKCF-UHFFFAOYSA-N 443.481 0.904 30 20 ICED O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780705 FBKNDEBITCZECL-YTRIFDNDSA-N 435.481 0.592 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 816130259 FPAZYSBXPFAOMB-HONMWMINSA-N 434.430 0.835 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 893777112 NBBHYGIYLHAXOX-ZDUSSCGKSA-N 427.479 0.477 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668590 UHJXOQIACRLQEO-IBGZPJMESA-N 436.490 0.018 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)cc1 915299748 GDUGVGUUGMMAFA-UHFFFAOYSA-N 427.548 0.532 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCN(C)C3)CC2)c1C#N 1290577195 LGIYORINLLQFHT-QFIPXVFZSA-N 441.584 0.882 30 20 ICED CC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291373026 KIEAFBMTEOPRIF-MAUKXSAKSA-N 426.543 0.512 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1315060074 UOIJOCFUCKYGSV-GOSISDBHSA-N 441.492 0.606 30 20 ICED C=C[C@H](COC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1320439292 KPDHDNRWROOYRV-CQSZACIVSA-N 432.543 0.464 30 20 ICED COc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OCC(=O)NC(C)C 1322710936 KTQITAVKTBQGME-VZCXRCSSSA-N 430.461 0.855 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359143175 VRZBTCXKUSYVHG-LSDHHAIUSA-N 432.978 0.942 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1436235145 QRFFDKWNILUZKJ-UHFFFAOYSA-N 436.490 0.571 30 20 ICED N#Cc1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 1473020339 NLESDDUXERUHIK-UHFFFAOYSA-N 431.474 0.449 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1539600629 SVGUSUXZFNFGGO-NEPJUHHUSA-N 432.344 0.804 30 20 ICED N#Cc1cn(CC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(=O)nc1O 1568499137 RNEARIYMYAMLDY-INIZCTEOSA-N 425.445 0.986 30 20 ICED Cc1nnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n1C 1659719940 MKVOZDWYBIUVIP-FQEVSTJZSA-N 440.527 0.794 30 20 ICED CCCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1728229126 XIGOEJVZQCKSAI-HOCLYGCPSA-N 449.537 0.849 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1731184919 LBIJJZYSRRBODO-WMZOPIPTSA-N 442.501 0.892 30 20 ICED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1748273731 LRSVOILKSAJFHU-INIZCTEOSA-N 440.483 0.703 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770945018 ZJOTVDTXGZRKQZ-KRWDZBQOSA-N 436.476 0.821 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1779019044 BQAVTXBPXMOEPA-PIUNUONSSA-N 430.509 0.791 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C1)CCC2 1779106912 NAJVAMFHTPILOL-BMUPIEFHSA-N 445.520 0.881 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139552 XEQGNGMVRLDPTB-WNVMFQPGSA-N 427.417 0.330 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779358879 IWZNGRFRDXTNQA-IWGJDDPLSA-N 435.569 0.887 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937660 DZNWIRHUNIKYJC-OAQYLSRUSA-N 430.530 0.525 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c1 1781964133 WYSIPLOVNHVIMY-HXUWFJFHSA-N 427.392 0.656 30 20 ICED CC(=O)Nc1ccccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017145 ACQLQHCNRWZXIC-XMSQKQJNSA-N 427.457 0.861 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(CN(C(=O)CC#N)CCO3)C1)C2 1782852112 TYUQDWXMJULTRN-BTYIYWSLSA-N 429.477 0.366 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557088 AACYCDCSRRLCIJ-ZHRRBRCNSA-N 449.504 0.694 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1783564725 FDGANBOVSIHKKK-JOCHJYFZSA-N 444.463 0.355 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1784504381 OZHAIKSHXNDLGT-OVWQWFNUSA-N 441.488 0.274 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1 1785077156 RIMWQBVPNFKXCV-IVZQSRNASA-N 439.472 0.309 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785247284 LAZLEFMZFRNRDS-DWRORGKVSA-N 432.521 0.705 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1785573356 UZMVXANGXYEPSS-BTYIYWSLSA-N 446.508 0.175 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786730485 LGKIDFDLGPKIFB-MUGJNUQGSA-N 437.585 0.405 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1786857957 JAOPJEAJYBJEMC-WDSOQIARSA-N 429.521 0.722 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1)C(F)(F)F 1787500280 GLIKYWWNZMZKTI-QFEZGCEISA-N 448.467 0.887 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)n1ccccc1=O 1788600897 IFNAPICKSBQXSU-QGFIRNMTSA-N 443.548 0.861 30 20 ICED Cn1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788631217 CPHJPDYLNMATEC-IHPCNDPISA-N 428.533 0.641 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccnc1 1788652354 BVJYYVKHQCLTDI-WKCCTLKOSA-N 433.509 0.953 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660834 OQJJVCYSTNNENY-LWNBLTCQSA-N 436.509 0.535 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C[C@@H]21 1791078864 BVXGXNUJKYBHDS-JQFCIGGWSA-N 443.412 0.211 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c1 1792828394 FCEQKEXCUTXKDK-UPHUGPLXSA-N 449.467 0.882 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793351719 GXOFPSOZNQZNEF-VPTLXERWSA-N 441.488 0.276 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793649130 HNNFOQNVWRVNCN-UIVXKWKOSA-N 449.504 0.454 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794013895 JGLCLAGVOPGXNC-MUJYYYPQSA-N 425.445 0.127 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794110988 FEZQWQVSCWSQRI-ZTENYAIWSA-N 428.489 0.386 30 20 ICED CN(C)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 1795464943 OHGJBXSULQOBFQ-MIFYACCESA-N 438.406 0.868 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796287833 BUYLBTGULSAKNU-XRGAULLZSA-N 429.477 0.211 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C(F)(F)F 1796425276 BGIPADBEPALOIT-WZQZWDJBSA-N 434.440 0.497 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797863628 JAJGOINMJLVWDZ-GFISCPRKSA-N 435.550 0.139 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cc(Cl)ccn1 1797903539 SYCRCAASYNYTNZ-PCUZFBEDSA-N 448.907 0.562 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801095 CWUWRSFAEOLDOA-IZZQQSIFSA-N 429.546 0.554 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H]3CCC(=O)NC3)C4)c2c1 1799882650 GOASNZJIBXCTRH-BKEDOTJMSA-N 436.472 0.164 30 20 ICED O=Cc1ccccc1-c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800779177 XHJFYGBQBKXZHK-BBIADKPPSA-N 447.447 0.852 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 1809773546 CMTZSUJOWZUTDH-UHFFFAOYSA-N 441.536 0.702 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813224842 BZOOIFLIIKONQH-UWJYYQICSA-N 425.489 0.833 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC2CC2)CC3)CC1 1818889887 IDRCKXNDRZIAQU-INIZCTEOSA-N 429.546 0.633 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCN2C(=O)OCc1ccccc1 1828994392 AMCSUQGWGZXXRZ-QFIPXVFZSA-N 437.456 0.814 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831114165 AOISXKPNMGVRKR-NRFANRHFSA-N 441.444 0.920 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831216448 QRLMXHQKNGPMAG-PKTZIBPZSA-N 439.468 0.591 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1831401971 KVALLOHIDALUBN-QMHWCDLVSA-N 430.501 0.085 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831512372 OZSZUVXJRVAOLX-LEDOBFOHSA-N 436.549 0.548 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831877091 SHGALDYYVQVSEI-OAQYLSRUSA-N 434.493 0.308 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1832451446 CSZIWIULVOUQTH-HXUWFJFHSA-N 437.518 0.385 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1832929857 WVMJFWRNAWRJFK-QFIPXVFZSA-N 439.472 0.871 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833709689 RVUZEXJWYGDSFJ-YWZLYKJASA-N 439.488 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cncnc3)CC2)CC1 1834234376 UQGRCZMLHJEPEL-ARJAWSKDSA-N 426.521 0.520 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834352619 FRRRCMDHFFVDPJ-VKUXZERMSA-N 432.452 0.149 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593961 KSSCGHLNDXKXIL-KQKDOZOKSA-N 449.460 0.239 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1835099924 WRLLBKRUSIZBAM-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134482 HKGAEKKACPEJKK-XXBNENTESA-N 437.581 0.892 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)CC1 1835282856 PKPCLVLDGAGEHG-UHFFFAOYSA-N 427.457 0.689 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)CC1 1835344411 CHXIRHXYYSMXNG-NRFANRHFSA-N 429.477 0.299 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835859326 UUXPEMGCUHFUKI-NRFANRHFSA-N 425.445 0.565 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836076317 GFGYFECUDVCDHW-SFHVURJKSA-N 426.564 0.765 30 20 ICED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)CCC#N)CC4)CC3)CC2)CC1 1836376902 DJPDSLJLVBUHPF-UHFFFAOYSA-N 430.597 0.642 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837432895 SHRLANVVJATXHB-OAQYLSRUSA-N 434.565 0.582 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446506 CLCYEOVYZSXYRP-ZZAWEDPDSA-N 445.520 0.136 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524473 BPKMFTNLWSPDDQ-JGYVSQDVSA-N 439.509 0.587 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837561443 LSTGNKOIWCIHRI-BBVKYHIBSA-N 433.461 0.274 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738219 XXBGBNFKAJXGCF-QVKFZJNVSA-N 439.476 0.247 30 20 ICED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CCC1=O 1838950533 NAMUMLDXCLZTQL-JOCHJYFZSA-N 439.472 0.236 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)C1 1839065684 PTCNJMWOMJEKGB-OFNKIYASSA-N 426.517 0.970 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839222644 UZVGELQHZGJVTD-GQIGUUNPSA-N 426.514 0.158 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1839451595 FJSVDLQSBIKWRA-AVRDEDQJSA-N 426.473 0.215 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncccc4c3)C2)C1 1840040246 SEPUHYWZGIEYBV-HSZRJFAPSA-N 437.452 0.322 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)CCC1 1840814702 DXOUINWXEJAAOU-PNCHPQGNSA-N 444.532 0.538 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840819417 KILXEPNKWSXDMS-NRFANRHFSA-N 425.445 0.430 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(O)n1 1842296064 CTGGRZCGNJPZRO-OAHLLOKOSA-N 427.461 0.321 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)c1 1844286959 TTYNEINJSALURR-LJQANCHMSA-N 443.456 0.879 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)c1ccc(O)cc1 1846414923 RODOAACGDIGYTJ-FQEVSTJZSA-N 443.544 0.379 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c(=O)n(C)c1=O 29856744 YUWQJXOHTXRYAZ-UHFFFAOYSA-N 442.495 0.801 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 438738215 ZREJFECNJKYCGA-UHFFFAOYSA-N 431.518 0.519 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)ccc1OCC(F)(F)F 439385826 LZZBVFHFMZXFDQ-UHFFFAOYSA-N 448.423 0.965 30 20 ICED NS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 439402276 KGJMXLLOTRMNSF-UHFFFAOYSA-N 426.498 0.947 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCOC1 441960190 YIFFDRWEVFNFQG-MRXNPFEDSA-N 437.521 0.686 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cnn1-c1cccc(C#N)c1 443695861 CRHPDUILXLZEGF-OAHLLOKOSA-N 438.488 0.687 30 20 ICED N#C[C@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCc2ccccc2C1 472269343 UYJCFGTWNXQOIM-QFIPXVFZSA-N 438.509 0.988 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 481501739 VAXHQZNPUFOUAO-WMLDXEAASA-N 436.559 0.791 30 20 ICED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485995036 XVLFJTMJPWXRPQ-QGZVFWFLSA-N 428.470 0.745 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 491247687 QJVSKYDZLFAZMW-UHFFFAOYSA-N 429.521 0.518 30 20 ICED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506563116 ODRMRNRKAQCGRP-UHFFFAOYSA-N 438.481 0.809 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 514487013 GCWNJQPTENFDPI-UHFFFAOYSA-N 430.555 0.109 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)o2)c1=O 523090294 YULGJCXRUAPZNX-UHFFFAOYSA-N 444.557 0.515 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 532894141 NZQRPDKQHGGVMZ-KRWDZBQOSA-N 434.562 0.654 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 533343035 IIJMZJLJWRBUNV-UHFFFAOYSA-N 431.518 0.729 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)n1 541154588 DGIOZLUFANOOHH-UHFFFAOYSA-N 430.852 0.734 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543927253 HHRJHELSQUWNEG-ZDUSSCGKSA-N 434.453 0.362 30 20 ICED CC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cccc21 545977068 NFYGRFJIINLIQP-CQSZACIVSA-N 433.472 0.933 30 20 ICED CC(C)(CO)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 550103154 YORRNOXZSWYIEK-HXUWFJFHSA-N 434.562 0.778 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1=O 558005424 NHPDMGQQXAICIB-VQTJNVASSA-N 428.533 0.291 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 559554923 OHHLSDDFVZLCEZ-UHFFFAOYSA-N 434.522 0.545 30 20 ICED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 566816243 ARJZOHWBQSJOJS-IBGZPJMESA-N 439.516 0.935 30 20 ICED CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 572017647 FIWYSXHHNUDMHR-UHFFFAOYSA-N 436.516 0.859 30 20 ICED CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573851727 VRMFFVDOCIVVBX-KRWDZBQOSA-N 431.456 0.893 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)c1 603507010 WCCCHUKDTWJATC-UHFFFAOYSA-N 435.536 0.787 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C 604269882 HHBRJADZIMGCFP-UHFFFAOYSA-N 442.541 0.426 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 609122952 NNANPUHCTQAOJC-UHFFFAOYSA-N 443.529 0.965 30 20 ICED CC(C)CN(C(=O)CN1CCN(CCC#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 611173557 AJJAIUBXNDNTIP-UHFFFAOYSA-N 433.557 0.707 30 20 ICED CC1(C)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCO 614923447 MFQHHUZOMLBKLA-UHFFFAOYSA-N 442.520 0.843 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(=O)N(C)C)c1=O 677123813 QDGPPWPECNLDNW-UHFFFAOYSA-N 435.509 0.600 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H](C)COC)C1=O 726404267 VCQCYMYZDAOXKC-VPBKRQHPSA-N 442.563 0.553 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1 729257165 VDRHBPLGUGZFCJ-UHFFFAOYSA-N 432.546 0.333 30 20 ICED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732415883 GBPYKMUAAHGFTM-ZCXUNETKSA-N 449.489 0.784 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 735849964 PQVRNTNCFOQYIR-GHVJWSGMSA-N 437.500 0.636 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 743725186 HPDAVABKZRQXOA-OAHLLOKOSA-N 445.541 0.357 30 20 ICED COCCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2S1(=O)=O 747021919 SEIYWJVMCVLSSX-AWEZNQCLSA-N 428.426 0.834 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1 749667502 TVSAMLLLSRRBMT-UHFFFAOYSA-N 429.477 0.337 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758077304 OTHPEWMLAUWAIH-UHFFFAOYSA-N 426.454 0.487 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 758496618 VSOABLNOYKSDTG-RCCFBDPRSA-N 436.557 0.451 30 20 ICED Cc1nnnn1-c1ccc(F)c(NC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)c1 760445077 OQPCCDFOWRRJDG-UHFFFAOYSA-N 447.452 0.789 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 761038545 WNAIWLZQINDAMM-KRWDZBQOSA-N 445.501 0.636 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C#Cc2ccc3c(c2)OCO3)c1 762205063 SVMHLMWIQXTEPB-ZDUSSCGKSA-N 429.454 0.818 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 762606776 YQDJAZJGFZKQBR-OAHLLOKOSA-N 431.474 0.454 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 766016702 QKKKWPIBPDSNBN-ZBFHGGJFSA-N 436.534 0.336 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSc1ccc(C#N)cc1 768308579 WZGFPOMSCSPXNJ-UHFFFAOYSA-N 448.526 0.966 30 20 ICED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 770866022 OEBCVPJNBCHIKT-HIFRSBDPSA-N 442.453 0.949 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 772113381 NMURMORGGGERTG-UHFFFAOYSA-N 444.507 0.797 30 20 ICED C[C@H]1CC(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)NO1 777435845 MJFUKECZRYPLRE-AWEZNQCLSA-N 438.506 0.396 30 20 ICED Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 782908096 XYTIDSZWYMPXLX-UHFFFAOYSA-N 429.477 0.965 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 785330132 NPAJHVBMWSMEAU-HNNXBMFYSA-N 433.534 0.720 30 20 ICED N#CC[C@@H](CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 795979246 AUIOIMJDCMPVDY-RBUKOAKNSA-N 433.530 0.948 30 20 ICED COC(=O)c1cc(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744400 KKKKPSWDQMJMHK-WDEREUQCSA-N 429.389 0.854 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 800782166 JOZGWTMYVUCVLH-CYBMUJFWSA-N 449.537 0.616 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801289235 HDCIMUFRCFUHQS-UHFFFAOYSA-N 444.517 0.275 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)n1 809429947 YZMMRYIJUIFFMI-UHFFFAOYSA-N 439.472 0.764 30 20 ICED C#CCN=c1nc(N2CCC3(CC2)OCCCO3)[nH]c(N2CCC3(CC2)OCCCO3)n1 814920570 QANFMAJWRYLGGV-UHFFFAOYSA-N 444.536 0.805 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1 815449241 IHOHZYQVKFIMGU-UHFFFAOYSA-N 426.452 0.700 30 20 ICED N#CCc1ccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 921250058 HSQBHQUPMWIGTI-OAHLLOKOSA-N 432.458 0.400 30 20 ICED N#C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1116506577 YDQRDCAQXONXJQ-ZBFHGGJFSA-N 430.490 0.014 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1251740920 PROXSYZASRXSTB-UHFFFAOYSA-N 427.548 0.098 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1321299534 UTMCAFUSWUBSOJ-IBGZPJMESA-N 437.500 0.524 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1321884918 ZRYCVWQUPGDFJV-BBTUJRGHSA-N 446.529 0.695 30 20 ICED N#C[C@H](C(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1343333559 DFPSVYZGXUJTDN-GOSISDBHSA-N 447.513 0.270 30 20 ICED CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1498124196 SPUNSEWFHLMMDH-CHWSQXEVSA-N 439.567 0.879 30 20 ICED CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517752521 SGRAUNNKTMIURP-LSDHHAIUSA-N 427.513 0.828 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1611308712 SJZLEGJECJKFPH-UONOGXRCSA-N 429.568 0.743 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1617332516 KSUZTWWDEZRNRK-UHFFFAOYSA-N 432.506 0.490 30 20 ICED CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1692853082 MQYUWXVISYAYGT-JKSUJKDBSA-N 438.554 0.776 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1706625941 YXZOLFSMZXERDV-OXQOHEQNSA-N 449.581 0.353 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1741712027 SQUHGMLMGJKRII-HNNXBMFYSA-N 445.549 0.811 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2COCCO2)cc1 1750383997 JQJRKUCBFQXJEE-AEFFLSMTSA-N 426.477 0.846 30 20 ICED 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30 20 ICED COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)/C=N/N5CCCCC5)C[C@@H]43)(C1)C2 1791016826 CHKIRWMIPLVKRL-NXORZIOCSA-N 446.548 0.781 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c2c1 1791077039 WYGQCTPLGKTEGW-IXDGSTSKSA-N 425.441 0.858 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]3C2)c1 1791312758 SROVEXAZSMXJLT-JYJNAYRXSA-N 438.406 0.830 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1)C(F)(F)F 1791314324 RXJSVLDEMJSXFB-DCAQKATOSA-N 431.333 0.763 30 20 ICED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1792186757 WNEUBZDYJQDSIY-TUFLPTIASA-N 447.576 0.970 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCN3C)C2 1792489053 BQPZVSIISSJOFZ-OUBXJXCTSA-N 438.528 0.741 30 20 ICED O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793164775 KFVXEVGALAXNCO-GFYLOJAKSA-N 433.486 0.529 30 20 ICED 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Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1837655908 FREYOEWTIPMSKR-QFIPXVFZSA-N 445.520 0.293 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1OC 1838841598 DMCBNMCVDWEJPE-JOCHJYFZSA-N 444.488 0.863 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100458 AAKCCXDUKHEDCV-RDPSFJRHSA-N 448.608 0.847 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839175123 QEZLVLAINNGOOA-OAQYLSRUSA-N 432.477 0.364 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1839453006 JGCMPHZPQICPAZ-QFIPXVFZSA-N 437.456 0.334 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839885620 IIJDSGZXYLGXFL-NRFANRHFSA-N 448.907 0.808 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1)C(F)(F)F 1839892043 PBUIEXUHPFQAQN-QGZVFWFLSA-N 432.399 0.617 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041453 NFCMTBJGMGECCM-JOCHJYFZSA-N 430.457 0.172 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840044397 VVRPSWGNBALVLP-JOCHJYFZSA-N 430.457 0.091 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1840044735 ULBMGWRAQFWODM-XXBNENTESA-N 426.469 0.336 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)cc1)CCO2 1840279693 XBCQPGIBLJWTOG-HSZRJFAPSA-N 428.485 0.886 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCc5nc[nH]c5C4)C3)C2)CCC1 1840816425 RWMZVZGQRWPAEY-ZHRRBRCNSA-N 427.505 0.665 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840958075 MXPZRJUKUGZMIN-JOCHJYFZSA-N 445.472 0.612 30 20 ICED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842621331 YEHJUEBGEYBMSN-IZPCHGGPSA-N 426.539 0.765 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1I 1847804958 MYPSOOQEAQQUHC-DRZSPHRISA-N 442.257 0.868 30 20 ICED C#CCNC(=O)COC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 19183402 NWVAFDJDKWMHJJ-HNNXBMFYSA-N 444.513 0.837 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 32772960 XOAYJTZWCPHIRT-UHFFFAOYSA-N 430.553 0.848 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 410140620 JNUFSPCOERPRSF-MRXNPFEDSA-N 437.518 0.575 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)C1=O 430545961 WZMGSRGMLOLZGN-UHFFFAOYSA-N 441.488 0.309 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 431759996 WDBSBUMZQMDEHK-UHFFFAOYSA-N 430.490 0.380 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432730867 QXRXBLWMRHKZDJ-GFCCVEGCSA-N 446.891 0.909 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 433878148 FYVKMUDMBCCTFY-BMIGLBTASA-N 427.280 0.977 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 446526285 ICFJQWOJEINFMS-UHFFFAOYSA-N 433.484 0.675 30 20 ICED C=CCc1ccc(OC[C@H](O)Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)c(OC)c1 447167008 GRPWBLNUYWQOCK-CQSZACIVSA-N 448.501 0.711 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 460587795 RBUHCLBJEXHQCE-UHFFFAOYSA-N 437.504 0.957 30 20 ICED COc1ccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 461498219 NMFWXQYTUFCNRR-INIZCTEOSA-N 436.534 0.681 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1 463778070 MBVSAFXHDDRPBI-UHFFFAOYSA-N 428.474 0.558 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465505552 XEIYZDYUHQARMD-CYBMUJFWSA-N 436.519 0.156 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)CC2)c1C#N 471962682 AOEHHUGUFWWZEK-KRWDZBQOSA-N 436.476 0.705 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cn1 477895410 TYZOHZAHYMPMRK-UHFFFAOYSA-N 436.432 0.058 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 481163991 NVALNIXNPIMCCJ-UHFFFAOYSA-N 434.449 0.877 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 486019514 SNVWZZOLPGZREI-LLVKDONJSA-N 429.501 0.821 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)NCCF)nnc12 504505537 AJTNOOQSHUVPMX-GFCCVEGCSA-N 432.481 0.913 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC2(OCCO)CCOCC2)n1 506731228 YSENGVKXZZBKIQ-UHFFFAOYSA-N 431.424 0.496 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2S(C)(=O)=O)C1=O 508200007 BTZBUMHAFMDNNI-UHFFFAOYSA-N 444.263 0.768 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)n1 508380887 WEFZNZGIIIYVTN-UHFFFAOYSA-N 430.432 0.335 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 508809400 LTWPORFONRJECY-INIZCTEOSA-N 432.550 0.966 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511455993 VBWYJPGBRYREGR-MRXNPFEDSA-N 444.469 0.922 30 20 ICED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513786984 QXWXJPVTZLSDHN-FQEVSTJZSA-N 426.454 0.898 30 20 ICED CN(CC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 516329572 VKQPMXNRIHXGFB-UHFFFAOYSA-N 443.485 0.423 30 20 ICED N#CCNC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 522888040 DROBGQLWIGXZFZ-UHFFFAOYSA-N 442.563 0.950 30 20 ICED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)nc12 525642991 UOIRFQQLVJHQAK-HNNXBMFYSA-N 438.469 0.877 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 532506805 IQQUTFFTSPFVDK-IEBWSBKVSA-N 433.578 0.852 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCCO2)c1=O 534603096 IMUIAJDSZSYWAZ-KRWDZBQOSA-N 443.573 0.971 30 20 ICED C=CCNC(=O)CNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 540801152 YRECBVJKOCMGPL-UHFFFAOYSA-N 435.550 0.955 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)C1=O 546401542 HVZSEHOMWAOBPP-OAHLLOKOSA-N 438.444 0.663 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1ccccc1F)c1nccn1C 550249114 VDLBHKYZGGAZNZ-QGZVFWFLSA-N 438.467 1.033 30 20 ICED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 552327466 ZJMGSFYLVZNJQD-CYBMUJFWSA-N 433.450 0.275 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3N3CCOCC3)CC2)c1 556207181 YAYMUGSSAINWKC-UHFFFAOYSA-N 434.500 0.755 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 572209575 CBNKRJIDJGEBGE-ZDUSSCGKSA-N 436.515 0.622 30 20 ICED CC1(C)COCCN1CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 578547648 ZMPNNYZBPJKKHF-GOSISDBHSA-N 427.505 0.002 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)CC(C)C)CC2)c1C#N 583233839 GJRQOAZQBXJTBI-SFHVURJKSA-N 426.525 0.746 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609955203 LKDRPWWBDVKFHY-HIFRSBDPSA-N 431.518 0.873 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 642280892 DTVBZSBEPZEWCH-OAHLLOKOSA-N 432.506 0.854 30 20 ICED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)nc2n(C)c1=O 730406196 XFAOSVZXDGSHRW-UHFFFAOYSA-N 433.833 0.276 30 20 ICED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN([C@@H](C#N)C(C)C)CC3)C2=O)c1 731847619 YFIDUUMCLBVLST-PGRDOPGGSA-N 442.520 0.659 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734563684 YUPOUPIZWWRMIL-IBGZPJMESA-N 444.469 0.955 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 741339767 IMBWIUSMNCNKRL-HNENSFHCSA-N 444.400 0.566 30 20 ICED O=C(O)Cn1cc(/C=C2\CC3(CCOCC3)C/C(=C\c3cn(CC(=O)O)nn3)C2=O)nn1 759084179 OBMYIUUFYZKGAP-ACFHMISVSA-N 442.432 0.666 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 771284034 KAQIDGZLZNHTHY-NWDGAFQWSA-N 425.413 0.284 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 773487686 IMJIQHRFWAQJEH-ZIAGYGMSSA-N 440.464 0.785 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)c1 778815833 SGKMMHSLWSPTGB-BHFHOQOQSA-N 444.517 0.766 30 20 ICED C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785063563 XZVTYNJIACXVGK-YNNUJBDDSA-N 428.536 0.321 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nc(N)nc(N(C)C)n1 791604670 XWZAPMIGTJDAHY-OAQYLSRUSA-N 437.460 0.728 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNc2ccc(S(N)(=O)=O)cn2)C1 794492565 RZIUBHHPFGVSBJ-CYBMUJFWSA-N 440.526 0.890 30 20 ICED C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 796457285 ZMVYIHNDKWIGDE-CQSZACIVSA-N 445.925 0.996 30 20 ICED COCC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810468895 XUQQTFRAUPGCKK-XQEBGNCTSA-N 440.522 0.606 30 20 ICED C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCN(CC)C(=O)C2=O)nc1C 915357831 LTUNFVMCFXQAPY-UHFFFAOYSA-N 435.535 0.814 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2OC)c1=O 916200199 YGJBJOBDSWHJIY-UHFFFAOYSA-N 429.498 0.355 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 916200226 ZFLNECLOVZOCED-UHFFFAOYSA-N 440.525 0.640 30 20 ICED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916887361 PMGVITKUESJVAF-GOSISDBHSA-N 440.481 0.446 30 20 ICED C=CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1320266075 QVKQPBFRALZGGC-MRXNPFEDSA-N 432.520 0.494 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCO1 1706050042 NSBQLZDCCJSOKJ-MOPGFXCFSA-N 426.477 0.573 30 20 ICED CS(=O)(=O)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1731005351 QAOGDWZQEPTMKW-PBHICJAKSA-N 433.490 0.954 30 20 ICED CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760817757 WZBKHRQEUBNDHF-MRXNPFEDSA-N 440.570 0.902 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@](C)(O)CCOC)CCOC1 1767473883 RPIOKCGAGWUHDE-YUXAGFNASA-N 448.568 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777723177 VWWQOKWKOJXDGW-XBKFQHLESA-N 435.484 0.932 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863829 DXFFVMLCCCRBPC-WAIKUNEKSA-N 442.516 0.912 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778478544 QPTPCRIWXSTDHK-OAQYLSRUSA-N 427.461 0.682 30 20 ICED Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)n1 1779422788 OMRIADVXJVVSTB-WIAVOOCZSA-N 449.508 0.963 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc(CO)on1 1780217850 BRHKYAUOTRGQML-XZYKOBSISA-N 433.509 0.766 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c(C#N)c1 1781173761 CMBMMHKZNJRYAG-QFIPXVFZSA-N 439.472 0.692 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781293913 FWTDOUSHGOMMFR-IYZQMXKPSA-N 440.475 0.928 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781856037 VRDTVRRKIMDKMW-CVDCTZTESA-N 443.500 0.711 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010084 CNULFNZSWMSTBX-UZUQRXQVSA-N 441.484 0.618 30 20 ICED COc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782011356 WGTGMKMCPOOYHS-VGOFRKELSA-N 429.473 0.625 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782961753 WUMFFZGSFAGVIS-RXVVDRJESA-N 447.513 0.588 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1783046894 XJHLBTMLHSTPRE-SSKFGXFMSA-N 435.521 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3S)C[C@@H]21 1783528275 KPXMLOIGWVZJGU-QTIVQTDVSA-N 430.530 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(C)n(C)n3)[C@H]2C1 1784237111 SZCNDCUAXMRDDT-OIMABFAESA-N 429.521 0.109 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784518326 VBJKRCIOLSFLPA-XSLAGTTESA-N 430.567 0.630 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSC(=N)N)[C@H]3C2)ccc1F 1786778887 NSOSBYSRXZNJLD-QRTARXTBSA-N 433.509 0.846 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(-c4ccccc4)ns3)[C@H]2C1 1787144828 ZRGZNXPOQBKPRO-JYJNAYRXSA-N 440.481 0.886 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1)C(F)(F)F 1787500276 GLIKYWWNZMZKTI-ALQCUDPJSA-N 448.467 0.887 30 20 ICED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)CC[C@@H](N)C(N)=O)cc2)CCC1 1788055250 OBEYCIHTBFNTQL-QGZVFWFLSA-N 428.537 0.995 30 20 ICED 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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)CC2)C3)CCOC1 1799335359 ZIQUJVTUYGMYEU-CPBBTPEFSA-N 448.520 0.564 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2C)c(O)n1 1799372406 KJTVNWQPDGHFNK-ZDUSMZPESA-N 442.516 0.730 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n(C)n1 1799883462 KXGKLIZJMVEMGO-HBCWATKFSA-N 449.471 0.694 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1803542086 AMCRAWGLSQWXLB-KJXAQDMKSA-N 441.576 0.763 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CC1 1804193880 GQSZVDFFUDZOMR-HKUYNNGSSA-N 445.545 0.122 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807148731 XRORGXFUTSXCRT-YDZRNGNQSA-N 428.537 0.092 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1809226160 XXZMWKWCCNXICC-NXHRZFHOSA-N 433.472 0.877 30 20 ICED Cc1cnc2c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnn2c1 1809844463 ZTCWOXYQEAICTG-UZLBHIALSA-N 432.440 0.840 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1813334634 AXOXDLLPIVQUSE-WPYKKVEZSA-N 448.527 0.971 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(O)nc2O)n[nH]1 1818017714 PVVBZLJDVROIBX-AFNCTOJWSA-N 441.448 0.775 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1826893026 VXHWZJAKOJTWTH-MSOLQXFVSA-N 434.585 0.481 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830953313 AOVUCSQQHGGRAD-UWJYYQICSA-N 435.525 0.528 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(C(F)(F)F)n1 1831215886 AHGAWMQGOSGRJO-LJQANCHMSA-N 440.422 0.922 30 20 ICED Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1831319208 OPAZQLLFZOCOFZ-QFIPXVFZSA-N 432.448 0.611 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831870641 XWZQREPTJJEYBR-OAQYLSRUSA-N 432.525 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N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840820520 UXSKWXMXDLRVSG-QFIPXVFZSA-N 439.472 0.359 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840841209 JAWUIITXBSSOLL-HSZRJFAPSA-N 442.516 0.402 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840855353 FTICYVYOABYKTE-LPHOPBHVSA-N 431.480 0.959 30 20 ICED CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)COc3ccccc3C#N)C4)CC2)CC1 1845103538 WBZJVBMIIPUSAK-UHFFFAOYSA-N 437.544 0.920 30 20 ICED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CCC#N)CCCN(C)C 438762055 UPYIVSSOLUODPM-UHFFFAOYSA-N 445.520 0.800 30 20 ICED O=C1NC(=O)[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)N1 442138426 PCGKYXWNFLNHHS-WAIKUNEKSA-N 431.452 0.914 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 444508221 VJZDOHOCFVFGNJ-UHFFFAOYSA-N 449.450 1.263 30 20 ICED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472209523 WZSVFONURDZPMO-UHFFFAOYSA-N 446.533 0.756 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 473559123 CXCBAYOKRQMFCN-SFHVURJKSA-N 439.969 0.626 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 476743227 HMMJTJQKLXFHEQ-CQSZACIVSA-N 442.501 0.068 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CCN2CCOCC2)c1 481449669 PDRUTVFKACMSOM-OAHLLOKOSA-N 432.506 0.392 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2=O)cc1 488252762 KGVZJTVEDDGEHN-LJQANCHMSA-N 447.499 0.685 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)CC1 505864876 RZGQZKNFTXACKZ-LJQANCHMSA-N 435.550 0.580 30 20 ICED COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508656840 QVWOZGXOFZCCKH-IBGZPJMESA-N 442.520 0.143 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 508839661 GWJUPQLPAGYGLJ-MRXNPFEDSA-N 447.565 0.835 30 20 ICED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510172496 LCTUYDNTGMETMO-YOEHRIQHSA-N 442.563 0.355 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 515929924 PGYDSGALWWEEKF-HNNXBMFYSA-N 440.547 0.157 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCCO1 536086149 BGJXHSGVKAVNRN-MRXNPFEDSA-N 427.530 0.501 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541147024 PYHRIKIYNQHZQS-DZGCQCFKSA-N 448.480 0.656 30 20 ICED COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 544122697 APPMSLBWGRJCQJ-UHFFFAOYSA-N 426.451 0.618 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNc3nccc(C(F)(F)F)n3)CC2)nc1 550824755 KNYPEZBMYWVPKR-UHFFFAOYSA-N 448.409 0.639 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 550945571 UBXWMUWSVYIBAA-SFHVURJKSA-N 435.550 0.011 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)C(C)C 551215649 OBNZCAXFUDTSSD-SFHVURJKSA-N 430.553 0.244 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 553266938 AGHAXVBEUSCHNS-ROUUACIJSA-N 441.488 0.859 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@@H]2C)O1 554694506 KSEFGNKTGBTOQM-VCNKVWKBSA-N 440.500 0.570 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 559658164 XQGXNKRZBYQGIZ-IBGZPJMESA-N 434.562 0.976 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)cc1 569660476 FVNOPGBCCWWOOK-UHFFFAOYSA-N 437.452 0.929 30 20 ICED CN(C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1)S(C)(=O)=O 571546623 JWUPPQQELIUQDF-KRWDZBQOSA-N 427.548 0.603 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 581510257 MFVXEIPODWETCD-GOSISDBHSA-N 425.489 0.102 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 584622066 HATAIXRNLGSDMP-VQTJNVASSA-N 441.532 0.248 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 728573847 XTQDFIDURDQSMM-UHFFFAOYSA-N 432.546 0.719 30 20 ICED N#C[C@@H]1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN1Cc1ccccc1 733947407 ZIPMVOUNILEVBE-ZWKOTPCHSA-N 443.529 0.388 30 20 ICED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 744410882 XPIUFUQJLRLBRM-UHFFFAOYSA-N 431.514 0.249 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 747849796 BGOBXNYSLQIYDO-UHFFFAOYSA-N 445.538 0.237 30 20 ICED N#Cc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 748238777 LUWGJWJPPAXNPG-UHFFFAOYSA-N 427.438 0.718 30 20 ICED C#CCN1CCN(C(=O)CN(C[C@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)CC1 748818138 VRVFDHGGHCGOOA-NRFANRHFSA-N 430.549 0.873 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cnc([N+](=O)[O-])n1 749076841 UNLLKXRUHULXES-CYBMUJFWSA-N 436.450 0.883 30 20 ICED N#Cc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 751555338 ZQNNOTDCEWPPKP-AWEZNQCLSA-N 430.483 0.364 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 752343807 ZCPILZVGGTWKQJ-AWEZNQCLSA-N 442.540 0.224 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1C#N 752407930 JHNDPJJISRQEHB-UHFFFAOYSA-N 444.492 0.688 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)cc1 756768192 XJNXZVBIMWKTBZ-MRXNPFEDSA-N 432.498 0.893 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758779387 UWGHLLOQYFNRGS-GJZGRUSLSA-N 436.513 0.124 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncc(F)cn2)CC1 760129354 WVSDEYRPLKEEPW-UHFFFAOYSA-N 432.481 0.783 30 20 ICED CC(C)(NC(=O)C(F)(F)F)C(=O)NCC#CCNC(=O)C(C)(C)NC(=O)C(F)(F)F 760491043 GTYFCIPUWRWCMP-UHFFFAOYSA-N 446.348 0.136 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 766249328 PWCBYJWNGANWGJ-UHFFFAOYSA-N 430.433 0.886 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 771436286 JJKMIHKLSDBHBL-SFTDATJTSA-N 428.445 0.814 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn(C=C)c2)c1=O 772332496 SBJJGBJMMNNTCT-UHFFFAOYSA-N 447.442 0.896 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 782904933 JMOHBQNRKDNUKW-UHFFFAOYSA-N 444.460 0.696 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 783297624 POQAAVMKXATDFW-UHFFFAOYSA-N 438.550 0.952 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 783350030 FKILNTBMLMZYJJ-UHFFFAOYSA-N 439.559 0.840 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 784412567 HNZRLBABKCDSSN-UHFFFAOYSA-N 439.476 0.669 30 20 ICED Cc1cnc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 787010575 AGXULDXSZXWDBM-UHFFFAOYSA-N 448.526 0.942 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)OC)n2)cc1 787626361 RUSNWWKMOFTTKI-UHFFFAOYSA-N 431.426 0.575 30 20 ICED C[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCC1 787739762 RGIRWGXNQJODNI-BXUZGUMPSA-N 429.882 0.473 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)c1 794643953 UZDXGOIMTHMZNP-IRXDYDNUSA-N 427.526 0.784 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 800381898 MORVMHQDLYBJMM-UHFFFAOYSA-N 443.485 0.230 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H]1CCCO1 804105418 RGDSSMOYGGNXNE-HZPDHXFCSA-N 436.306 0.982 30 20 ICED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 807585635 IBBKMGSSLZXUDF-LJQANCHMSA-N 432.484 0.832 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cncc(C#N)c3)C2=O)cc1 813985400 YSJXRVIYSNEGII-LJQANCHMSA-N 443.441 0.234 30 20 ICED C[C@@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccc(F)cc1 815260777 UWHNHYCTXWBSCK-ZIAGYGMSSA-N 426.470 0.920 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 815860641 VBFASAFXORSIRB-UHFFFAOYSA-N 435.424 0.999 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(N)(=O)=O 818124905 NVBKUVQODHOAOH-CQSZACIVSA-N 430.552 0.469 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 904550812 BATSWVRMIABOMF-KRWDZBQOSA-N 432.444 0.956 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 917253917 GWULFJUJBNZNLM-UHFFFAOYSA-N 431.470 0.401 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1 917687344 FPBKWGQJIAMXLZ-OQKWZONESA-N 428.474 0.948 30 20 ICED CCc1ncncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919390768 PPKQFMFLCBSZFG-UHFFFAOYSA-N 443.485 0.601 30 20 ICED N#Cc1cccc(OCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 919417288 XMDHNDPZKJDAEA-WMZOPIPTSA-N 436.486 0.675 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1261214152 LZWFBTQXTOZUAW-KRWDZBQOSA-N 448.549 0.257 30 20 ICED COCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1301725677 IKUKWOYMNILXAL-KRWDZBQOSA-N 448.549 0.656 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1303405210 LQIKGBCRULGKGR-SFHVURJKSA-N 436.520 0.740 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 1320664828 NYXPIFDAEQZMNR-HNAYVOBHSA-N 436.538 0.168 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1321299539 UTMCAFUSWUBSOJ-LJQANCHMSA-N 437.500 0.524 30 20 ICED CN1CCN(Cc2cccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)CC1 1347348121 NDMGNEVWMUXAFF-UHFFFAOYSA-N 441.557 0.900 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1503407923 KDGHNSOKWZLNCR-RHSMWYFYSA-N 444.583 0.202 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1OC 1505114883 SCCSIQNMJYGMFM-QKLQHJQFSA-N 447.517 0.216 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1505137525 JTYBPKHABYRTAM-FQEVSTJZSA-N 446.533 0.440 30 20 ICED N#Cc1cn(CCC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(=O)nc1O 1545579386 WPNIQTFXLBAMEW-CYBMUJFWSA-N 426.351 0.786 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1556365518 JQLYGSUOQXJHOT-QAPCUYQASA-N 432.452 0.430 30 20 ICED CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613422719 FHJMKXFZUKNOOG-RDJZCZTQSA-N 430.557 0.898 30 20 ICED CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1619052447 LDOMUODOCMNVJQ-QFIPXVFZSA-N 440.504 0.917 30 20 ICED Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1693331302 NWQBUOLQICMOGN-TZMCWYRMSA-N 439.567 0.933 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCO2)C1 1712706927 QVDUPQJIEXEWCH-GRDNDAEWSA-N 428.490 0.232 30 20 ICED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1746311556 ZTNDJVWKXYBHTM-CABCVRRESA-N 446.599 0.448 30 20 ICED CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1749181063 JPBUGTWZFCQLDP-KRWDZBQOSA-N 434.522 0.893 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C3CC3)CC2)c1C#N 1751828285 XCSIPSQDTAYLNE-ZDUSSCGKSA-N 433.542 0.463 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCS1 1761498280 DBLBFFCHTSHITP-BPUTZDHNSA-N 439.611 0.960 30 20 ICED CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)o1 1765614867 SKWDPIFWZOWTSG-KGLIPLIRSA-N 437.526 0.914 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1767707406 ILVWSMYIOQRIBM-IBGZPJMESA-N 439.520 0.490 30 20 ICED CC[S@@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1768327227 BFJHRRKQQXVDLF-WQIZZMQYSA-N 444.583 0.120 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1769837871 SFWBRMNZPHPDGA-UHFFFAOYSA-N 433.513 0.129 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863676 BLKCMILNEVNEEU-WAIKUNEKSA-N 440.500 0.359 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779070244 XONGOXRZPUAPDA-QFBILLFUSA-N 428.507 0.230 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1779138817 GXRNXJSBHRPSMG-KMQUJCGJSA-N 426.473 0.951 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1cncn1 1779429514 VKONUEXTQAODPJ-MAFIZMGBSA-N 448.524 0.882 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1779949965 LZOXKJWEGDAQFL-JOCHJYFZSA-N 443.504 0.711 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362621 OEMLDYIPQWOALK-PIGZYNQJSA-N 431.415 0.840 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1780433532 UXAHEZUZZYJSND-CFFCXZSUSA-N 435.481 0.401 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658363 CIUCWANNNJPGNV-QFIPXVFZSA-N 440.887 0.778 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3)CCO2 1783048330 YXKORSUNWGLRED-OAQYLSRUSA-N 429.477 0.737 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2)C(F)(F)F 1783203028 RNTQPDVNTOWQIN-KRWDZBQOSA-N 425.367 0.997 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C#N)c1 1789843498 QKOGWHOAXQQAEF-SNRMKQJTSA-N 425.441 0.177 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1793342758 OWOJAUOQZSOWCJ-AMVTXUCVSA-N 426.473 0.208 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1793569789 GCDPAPNKAWHNDZ-SFFUCWETSA-N 437.537 0.939 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445347 QTEUCFNEERDMMI-BCIQNCSDSA-N 434.518 0.524 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)o1 1797743766 NCPARQMHHXIFAX-LMGQATCFSA-N 430.461 0.300 30 20 ICED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797903609 VMYBIEGDRFWBCK-LAVAIGHBSA-N 438.488 0.454 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)ccc1F 1799325613 OZJZXEWCKBNXKV-ZSBFGKGUSA-N 441.419 0.344 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799350307 NXJNYVODINCUNS-ZMMAXQRCSA-N 435.521 0.265 30 20 ICED NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799625120 XZHRZQKWHQASST-CVNGWDAJSA-N 444.488 0.518 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1800108060 DSOGSGQPVKFJDX-MUJYYYPQSA-N 439.472 0.851 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801284137 SVJJTHQZEHCPDM-KOUHRCEDSA-N 443.548 0.815 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1807044099 STIZLWYZDGAVQQ-QTEQDKRBSA-N 448.527 0.795 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811182748 PEGQEOKXWZOWGA-OGWOLHLISA-N 436.472 0.328 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880898 TWHQRDCFJFINFW-AVRDEDQJSA-N 447.488 0.245 30 20 ICED CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972263 GETNAGBQTYAGTN-LBPRGKRZSA-N 441.579 0.772 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)C1 1829670787 KFEFOXMUPHGCER-QFIPXVFZSA-N 425.489 0.694 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829823250 HDFFJTXSGIPIJI-REWPJTCUSA-N 446.500 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)CCO2 1830429113 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N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c1 1838904590 OGDFGOAWKJKNAJ-UGKGYDQZSA-N 425.441 0.955 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363131 KMJZTNLEYSNHEL-HXOBKFHXSA-N 440.500 0.513 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2)C(=O)O 1839364238 UKZKLLMVJOJTHJ-MCZSENPKSA-N 427.457 0.854 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840166576 QSNVRQPYIZYVHJ-JOCHJYFZSA-N 428.489 0.071 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378791 GPURRVYLOGJAIY-RHSMWYFYSA-N 429.568 0.308 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1840712691 QFTWZSSGAQQXEU-KSFYIVLOSA-N 438.488 0.826 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1)c1ccc(O)cc1 1841962823 IUUAMBHGAACHGD-SJLPKXTDSA-N 438.484 0.691 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845199548 GAYGYNRGNVTWQD-MRXNPFEDSA-N 448.568 0.889 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 24678261 SUUMDXLEDYNGSG-HNNXBMFYSA-N 428.536 0.422 30 20 ICED Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c(C)c1 410124948 WGFRJQURFHQZSV-ROUUACIJSA-N 436.534 0.684 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 428788653 XACGZMUFCXSORX-CRAIPNDOSA-N 443.529 0.801 30 20 ICED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 441976861 MDVNIRBPCHHFPZ-IYBDPMFKSA-N 442.563 0.527 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)n1 444652615 JRHSJHWMNHCXEK-UHFFFAOYSA-N 426.458 1.528 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 465418761 DEDYYUVXLADFDK-VXGBXAGGSA-N 430.433 0.932 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 474515295 RMLYNDXBNBOAIH-KRWDZBQOSA-N 432.436 0.812 30 20 ICED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)c(O)c1 474576099 GRXGTLSTYGOPQV-KZULUSFZSA-N 447.469 0.970 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(C#N)cn1CCOC 481487737 CIVKLKFYRHVMBA-ZUOKHONESA-N 446.464 0.683 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482811505 MDUYKMWZXBGLOR-LSDHHAIUSA-N 439.501 0.624 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cnccn1 488915005 JPCXHGWVKRRFOM-SNVBAGLBSA-N 428.478 0.264 30 20 ICED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)CC2)C1=O 499771208 DGVVAHMEEOIPPG-UHFFFAOYSA-N 434.250 0.802 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@](C)(O)CN(C)C)nnc12 502937086 VDQPYQAKSRAPST-HXUWFJFHSA-N 430.534 0.751 30 20 ICED C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508921397 YOTMFSPFUHNWPB-UHFFFAOYSA-N 440.483 0.661 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 515017570 DJMLXKZVJRWFFO-AWEZNQCLSA-N 442.563 0.403 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(CCOC(C)C)CC3)CC2)c1C#N 516992976 OONFKMIPFWDKEW-UHFFFAOYSA-N 445.568 0.254 30 20 ICED COC(=O)Cc1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cc1 527361818 JVYHCZAICIRCLH-UHFFFAOYSA-N 433.490 0.877 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 552111689 OKEXVFXNONAEPO-GFCCVEGCSA-N 440.540 0.951 30 20 ICED CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 558045032 YGBDRDHGPKHEBW-GOSISDBHSA-N 432.544 0.734 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3C#N)CC2)CC1 558082143 CGPWWFLGORVGJD-UHFFFAOYSA-N 442.383 0.931 30 20 ICED N#CC1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 558334158 FUCMYNQUWWQJNB-QGZVFWFLSA-N 427.509 0.160 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 559700665 QCCUOCNYJMUBRT-UHFFFAOYSA-N 443.426 0.085 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 583230392 WPOAUBPLNNBHGX-LPHOPBHVSA-N 441.532 0.473 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603987762 SKDQDPLMUYYTML-UHFFFAOYSA-N 436.515 0.945 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1 607947590 BBXWDFYLYYVCRN-UHFFFAOYSA-N 427.526 0.873 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 609522477 OYVNLXRJXLFECX-IBGZPJMESA-N 430.553 0.738 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N=c2cc[nH]cc2C#N)c1OC 609785429 DTALLQOKZYTWMB-UHFFFAOYSA-N 432.458 0.666 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 726043966 XCIZHDUWHPOHOX-SECBINFHSA-N 439.327 0.855 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 729009784 CBMSYYAPFGCVEP-UHFFFAOYSA-N 429.454 0.879 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742537831 QDAQKRYWCZWGGO-HNNXBMFYSA-N 449.577 0.611 30 20 ICED COCCc1nnc(S)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 743445889 ICEHHJJJYVUTBF-UHFFFAOYSA-N 435.506 0.884 30 20 ICED C[C@@H](CC(=O)OCCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745495243 FTVQMKFKUATWHC-LBPRGKRZSA-N 436.490 0.767 30 20 ICED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 747021172 QEFOJPAKYSQUBQ-HNNXBMFYSA-N 427.442 0.163 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)CC1 747994060 XJLUSKLTTBKXRO-UHFFFAOYSA-N 449.511 0.998 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 748224946 DVTSKDLTQWQKEA-UHFFFAOYSA-N 447.429 0.484 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 754706266 FNMCONUYDWBJHZ-FUHWJXTLSA-N 425.470 0.505 30 20 ICED Cc1nc(/C=C/c2cn(CC(=O)O)nn2)sc1C(=O)/C=C/c1cn(CC(=O)O)nn1 759075525 HOWOWQROXJJDAB-ZUVMSYQZSA-N 429.418 0.870 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 761052767 HKVAUGDHTYUBOX-UHFFFAOYSA-N 438.484 0.652 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1Cc1ccon1 765146268 USFXZQRHRDXKGK-UHFFFAOYSA-N 437.393 0.652 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 772330865 PEAPQRJFIGHYNA-MRXNPFEDSA-N 427.530 0.804 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccnc(S(N)(=O)=O)c1 772429521 WVQXHZMUKGBJPX-UHFFFAOYSA-N 449.489 0.851 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 782987198 KMWHLHRPKKJUHE-UHFFFAOYSA-N 436.577 0.740 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC2(C#N)CC2)cc1 793194434 KSFCVFMSSIFTHC-UHFFFAOYSA-N 428.492 0.015 30 20 ICED C=CCN(CCOC)C(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C 804851118 ZBPUTOSJYVSGKZ-UHFFFAOYSA-N 440.302 0.315 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Cl)cc1F 807326773 ANWLNVBVTABACY-MRXNPFEDSA-N 447.854 0.964 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1Cc1ccon1 812279844 UTJGIONUMORLAO-UHFFFAOYSA-N 446.439 0.422 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCN(C)CC2)C1 816752234 VGDNVQFLDOUXQR-LJQANCHMSA-N 447.605 0.990 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC 838163499 ODUQHBIEPPSHOS-UHFFFAOYSA-N 428.514 0.544 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 915237035 NFVUPJCWMLMYFJ-UHFFFAOYSA-N 431.449 0.055 30 20 ICED COCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 917767389 HOTGWFQWZYAITG-UHFFFAOYSA-N 438.465 0.404 30 20 ICED CC1(C)NC(=O)N(CCCOC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 918819662 YQTTUPPWXIKCQF-UHFFFAOYSA-N 436.490 0.769 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 919048847 UFVZLDFXNYYGIC-UHFFFAOYSA-N 436.467 0.285 30 20 ICED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919350804 XFVOJFMMMFPPIT-UHFFFAOYSA-N 437.474 0.384 30 20 ICED C=CCN(C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C)[C@@H]1CCS(=O)(=O)C1 1116353125 GABTZJVLIMARJT-CQSZACIVSA-N 430.494 0.066 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1299322211 NRBNACHGYHRUFC-SFHVURJKSA-N 438.485 0.857 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(C)(C)O 1303863948 XCUMJSMDNHXSIG-DZGCQCFKSA-N 425.559 0.226 30 20 ICED C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCCCC1 1320672788 CXTHHPUTYJXZNH-DOTOQJQBSA-N 426.473 0.972 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1642919149 JYNUUKSZPBJFIT-ICSRJNTNSA-N 434.562 0.992 30 20 ICED COc1ccc(CCNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1651996690 KIRCAQPNSFHXPK-UHFFFAOYSA-N 440.500 0.928 30 20 ICED CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1 1654957454 OVAJXGGVYPZLNV-CQSZACIVSA-N 431.518 0.970 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)cc1 1656622775 MUZRICWGLGNYHY-UHFFFAOYSA-N 430.486 0.652 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)c1C#N 1684836857 TXKUQYDIPSMCGF-GOSISDBHSA-N 447.609 0.951 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1709183517 KENDPAHQYSVVFJ-KRWDZBQOSA-N 445.549 0.859 30 20 ICED CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729720034 MIJLFTZXZKQGMR-HNNXBMFYSA-N 434.508 0.796 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1741132390 KDKCFQNYJAUQOI-LSDHHAIUSA-N 441.558 0.075 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749824932 REGMBSUWWFKBET-FQEVSTJZSA-N 449.533 0.870 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1750015651 OVHFSALYKZEDNR-VQPPSCEASA-N 440.504 0.698 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)n1 1762459082 KRDCHVBZKOPOPN-GOSISDBHSA-N 428.541 0.979 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)ccc1F 1778855047 NBWWQWWLPKGJHD-OAQYLSRUSA-N 441.467 0.403 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019595 RMYVTRAJUUPAEG-SGCYSOCQSA-N 427.505 0.701 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779106270 ZKJVPCCMFNXQIG-QEPGBGQSSA-N 432.477 0.207 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779377643 HPLHGNZPJOEDNA-JXXFODFXSA-N 441.598 0.785 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1Cl 1780191625 GNSSSLPQQAVIGP-FOIQADDNSA-N 433.896 0.248 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2OCCC3)C1 1781256979 RQFLYXHHUAXHLD-RADWXHQJSA-N 430.505 0.831 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)cc1 1781790093 DDGXGINISBNGIA-QFIPXVFZSA-N 431.456 0.948 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966491 GJFHUQNOYQYSHQ-FQEVSTJZSA-N 433.509 0.625 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192921 ZLTZPKIUGHKHHJ-JOCHJYFZSA-N 438.488 0.793 30 20 ICED CCN(CC)[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1782818087 JXSJGSTZMFTNTR-FYYLOGMGSA-N 427.501 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3F)C[C@@H]21 1783531655 YKOPNUKVZDJZRZ-MZUPBALQSA-N 431.464 0.983 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)c1 1783631067 TWSJHEZOLQSZIK-LPWQTFTOSA-N 440.500 0.686 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519227 FYIAJPXEMAPHMQ-XIRDDKMYSA-N 444.488 0.283 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CC(=O)N4)[C@H]2C1 1788260643 BXXQGNHCGDGUJP-QQDKQVRDSA-N 425.485 0.813 30 20 ICED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)C(F)(F)F 1788676909 WXQSNTUTDIWIHV-ICBPNNDLSA-N 431.411 0.992 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5c[nH]c(=O)cn5)C[C@@H]43)c2c1 1790327590 WCVRWAJDRUFADL-YEWWUXTCSA-N 447.455 0.425 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC)C[C@@H]21 1792259142 ZKXKGCNOMKQUPP-TXTZMMAHSA-N 437.537 0.918 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1793348944 RVZINLJPFAKXJL-RMFSNUHRSA-N 430.505 0.384 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793384039 MEUVKTQDNUXULS-BQJWPVKWSA-N 430.523 0.025 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CC(N)=O)c(C#N)c1 1793432102 KLLKMFVCEPPWBG-XTGKAWNFSA-N 428.489 0.210 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)c1 1793763511 WHILOQDQOIPLKJ-NYYTWLDWSA-N 439.472 0.069 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC(F)(F)F)cc1 1795373036 PVAMINAGLRMHAH-HBCWATKFSA-N 440.374 0.805 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 1795598388 PCYLXSRRFYXZIY-XEMDLRDOSA-N 442.516 0.943 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCNC2=N)c(O)n1 1796022160 FVRWMFYQBZTNPA-BJWYYQGGSA-N 426.521 0.998 30 20 ICED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)ccn1 1796744454 LHEDVVHXAHISNB-SPHVFERGSA-N 439.472 0.955 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1798394933 MBQXWFRQQVEIJQ-YVSFHVDLSA-N 427.567 0.623 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803607250 AVFCEZHCZUQKQC-XPGWFJOJSA-N 430.530 0.967 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805265345 WYGWITORSPYFHN-FCDDRNRXSA-N 436.472 0.755 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1812675839 XOEWUPRSRNGIEZ-CZUORRHYSA-N 439.394 0.758 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n1 1819551701 MUOJKWQCWAHNKU-OAHLLOKOSA-N 440.460 0.790 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821472777 UKHWZOKVZCXEJU-NSHDSACASA-N 431.474 0.962 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1821595481 LZIJKLVPIDEDGD-SKDRFNHKSA-N 427.446 0.167 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)cc1 1822161183 VROJNYIHLNYCIN-OCCSQVGLSA-N 438.469 0.839 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674789 FSUUYBAUNPDRJF-TZMCWYRMSA-N 440.481 0.962 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050318 MKAXJBCSAAHFRD-WJPUGNRLSA-N 449.577 0.043 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829860783 UOQYJJCOUAHHDE-SIKLNZKXSA-N 428.489 0.543 30 20 ICED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1830005278 HYPLPWMTSNYSPJ-RZZUAFPKSA-N 446.548 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1831388673 ZYUXNAUMGVEVRF-VBKZILBWSA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1831402203 QLHUCUDGPCZQHU-MBSDFSHPSA-N 430.501 0.732 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1831404151 JRGMQVBENISLIU-UWJYYQICSA-N 425.526 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cs1)CCO2 1831771223 ZEZJQSWWGOQDJE-OLEQZPESSA-N 433.530 0.985 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1832456602 TUBOYQSCASEDEC-ICSRJNTNSA-N 428.551 0.950 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1833434422 FMMRPXFXCLGALH-NRFANRHFSA-N 440.460 0.459 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834734364 UIMAZIJCLSQLAJ-LJQANCHMSA-N 437.585 0.134 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447118 GOFCBQDMJZUOQO-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506322 ZFYBKBGPTRMLSA-FXAWDEMLSA-N 438.475 0.619 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2)C1 1837220961 GCDAHILEIOUQPP-SVMVAKDDSA-N 440.537 0.604 30 20 ICED C[C@H](Sc1cccs1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837234919 VDUIMXBNVUKPKE-IFXJQAMLSA-N 438.527 0.773 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837493599 MJMGCAZDLDVORG-IMQCZEGASA-N 448.560 0.693 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1)n1cnnn1 1837869475 PRKDYOXDHZCJPO-INIZCTEOSA-N 446.556 0.515 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1837954885 DVZGPXAOEQTZKB-YVABFXQFSA-N 442.472 0.872 30 20 ICED Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838818427 BQGSTHNLQLZYEV-QFIPXVFZSA-N 431.537 0.685 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)cc1 1838951511 TVJFSKYTQAPTCQ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1839174163 JOCIKTXLEOZISK-LJQANCHMSA-N 441.868 0.907 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518283 QYIQYSBXZNWSPH-VGOFRKELSA-N 448.520 0.309 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1)C(F)(F)F 1839894907 YLSWPNKSBWFMST-QGZVFWFLSA-N 430.383 0.430 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)o1 1840042035 WXRVFQRPOFFBBM-KRWDZBQOSA-N 445.350 0.160 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840428246 FTCWQQVVLSHONX-UGKGYDQZSA-N 434.537 0.958 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840563188 GNDQRHBVVQXLQA-JOCHJYFZSA-N 427.457 0.698 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881309 OVAZYAZVPTUEIE-HBRHUWOESA-N 438.502 0.591 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840905847 RJZPVQKTNKUVHO-KKSFZXQISA-N 435.546 0.500 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846216612 ISWAFLBVULQSQB-ZACQAIPSSA-N 435.521 0.598 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 25856399 VZYXOSNAVFNDGU-UHFFFAOYSA-N 430.490 0.836 30 20 ICED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27105393 HSABXLZWRSAKJM-LSDHHAIUSA-N 447.517 0.962 30 20 ICED CCOC(=O)N1CCC(N/C(N)=N/CCC(=O)N2CCN(c3ncccn3)CC2)CC1 303971415 DREGQWTVOSQWRO-UHFFFAOYSA-N 432.529 0.041 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/C[C@@H](O)CS(=O)(=O)c2cccs2)CC1 305223092 WYJRAPWEVHNBCR-CYBMUJFWSA-N 432.568 0.750 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Cc2occc2C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410179004 PORXPEVGRKOJJV-ZWKOTPCHSA-N 442.516 0.926 30 20 ICED C[C@H]1CC[S@@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433171991 CURMXVJRVJROCB-DEXQXJORSA-N 438.575 0.234 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 438762318 VWMKZUPQGSHNNZ-UHFFFAOYSA-N 448.549 0.790 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 444769257 HTSIKPBRLBQGOY-CQSZACIVSA-N 439.925 0.347 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1=O 446528731 XBOCRGBLAUZPFE-UHFFFAOYSA-N 440.298 0.161 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 446546529 IWOXSRPUYAVNOF-HNNXBMFYSA-N 439.490 0.184 30 20 ICED CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460606749 MXRIASAEWPDPDO-UHFFFAOYSA-N 438.492 0.992 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 460611190 DGXVTEANXVKUMH-GFCCVEGCSA-N 435.366 0.665 30 20 ICED CCN(CC)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464780718 WJHXJTWGIFKAEN-IBGZPJMESA-N 433.578 0.807 30 20 ICED C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471034810 WAJQINJAPLOANS-QGZVFWFLSA-N 440.548 0.960 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@]3(C#N)CCOC3)CC2)cc1 478660991 ZGFRWIPOGHRWTE-FQEVSTJZSA-N 434.518 0.407 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486914215 YNRKYJAJHKUNJK-SFHVURJKSA-N 439.476 0.440 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cccc(C)c2)c1=O 488138602 ARQMCWARAYVODI-UHFFFAOYSA-N 445.566 0.388 30 20 ICED COC(=O)CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 502714372 DYIIAGGYDZNVDN-UHFFFAOYSA-N 436.534 0.665 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 508798796 XJOJQVXRMVHLBR-KGLIPLIRSA-N 432.572 0.079 30 20 ICED C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 511016955 QQEPVYDNSPAMIZ-SFHVURJKSA-N 447.605 0.959 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 523463139 XABFADPMESZZCO-QAPCUYQASA-N 443.573 0.878 30 20 ICED CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1 568863165 UBMAXEPGDMUICM-DBVUQKKJSA-N 425.533 0.964 30 20 ICED CC(C)N1C(=O)CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 584313415 PIFYORLNZVSMEC-SFHVURJKSA-N 439.516 0.633 30 20 ICED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 588050138 RFROGMAKXMGGDQ-UHFFFAOYSA-N 428.493 0.447 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196056 FEHBQQFOAXCUJE-UHFFFAOYSA-N 444.517 0.275 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 608910996 BCVPYKGSNKRCOV-UHFFFAOYSA-N 446.488 0.472 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3C(=O)CCC3=O)CC2)cc1 609279628 YWADLNQXMAXJFY-UHFFFAOYSA-N 433.490 0.113 30 20 ICED Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 610307772 BDYOECPSKMXYKD-CZUORRHYSA-N 430.490 0.454 30 20 ICED N#C[C@]1(F)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 615524585 ZRFVWNIQUVFDEM-CZUORRHYSA-N 430.483 0.621 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003914 ZBBVNLLFACTGRU-DOPJRALCSA-N 429.473 0.694 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O 726042434 CBLKGNITIXSCGS-WBVHZDCISA-N 442.472 0.286 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 728534364 IAZRAOGJLNBKFP-SFHVURJKSA-N 449.349 0.910 30 20 ICED NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732092215 IAHQDMXXBUBNSE-CYBMUJFWSA-N 428.536 0.032 30 20 ICED CCOc1ccccc1[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(C)=O 732910254 NGWRRUPEXBDWGR-IAGOWNOFSA-N 435.502 0.618 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 733149953 ZWXOLDAXXLWIAD-UHFFFAOYSA-N 432.433 0.078 30 20 ICED CS(=O)(=O)Cc1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cs1 744617966 PSESYTFCYWPBFZ-UHFFFAOYSA-N 429.501 0.581 30 20 ICED C#CCOCCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 756305071 KFWHGWLOSNEJCK-INIZCTEOSA-N 438.502 0.926 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 756964989 NARDCSWHODLERN-UHFFFAOYSA-N 436.278 0.783 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 759950343 HTCRSCMGBQUDNY-VHAMKEJYSA-N 443.551 0.784 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(=O)N(C)C)c2=O)n1 763311268 AHWFDLJZPXVYQN-AWEZNQCLSA-N 442.541 0.910 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 764031147 UYTNJISMZBBUAG-LBPRGKRZSA-N 426.476 0.738 30 20 ICED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1Oc1cccnc1 771889859 LEXPEXYSISROFW-UHFFFAOYSA-N 429.458 0.892 30 20 ICED CC(C)(C#N)CS(=O)(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 790025040 RPSIZJPJCGBBEN-UHFFFAOYSA-N 429.520 0.662 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2c(C)cnn2C)c1=O 795187608 QMFKVBJVPUVNJZ-UHFFFAOYSA-N 441.488 0.879 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796201724 NCOTYPSGMBLTJK-QGZVFWFLSA-N 445.586 0.720 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CCO[C@H](C(N)=O)C1 800773409 IMHPQPZPSZTCAJ-KRWDZBQOSA-N 448.549 0.852 30 20 ICED CS(=O)(=O)c1ccc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 809176331 TYFQLDSILTWURT-UHFFFAOYSA-N 428.513 0.745 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812274079 SZXREOVNTDLOJB-UHFFFAOYSA-N 431.489 0.829 30 20 ICED C[C@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)CCO1 914579632 AJFCNZAYVDQIRC-HNNXBMFYSA-N 437.521 0.617 30 20 ICED CCNC(=O)CN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1116060778 OQEPVSKUMBZKRY-GOSISDBHSA-N 440.504 0.434 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1208354416 GHDUEQQHJDOXOO-UHFFFAOYSA-N 438.506 0.997 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1303469761 JXFJNBQUHXTCCJ-OAHLLOKOSA-N 445.549 0.811 30 20 ICED CO[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1315271064 LGJSGPNEGLGUPF-UZLBHIALSA-N 447.517 0.883 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 1324255138 JBWFUDQMZCDDHN-GJZGRUSLSA-N 427.486 0.459 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)[C@H](C)C1 1508258222 FWQWQPWTPHMRNP-OAHLLOKOSA-N 435.492 0.963 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1508426567 VETCTBSZSSWPRJ-UKRRQHHQSA-N 429.568 0.601 30 20 ICED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1619780378 ZXYSBWGRUVXSBB-HRAATJIYSA-N 428.493 0.828 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCC1 1723951692 BWRCWHFSVRRMKR-DOTOQJQBSA-N 436.586 0.161 30 20 ICED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1760820484 QBEKNOKYKHDSGB-CQSZACIVSA-N 426.543 0.512 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(F)(F)F 1779100791 YHMGFOBKTVNFSC-MWNIMBMMSA-N 437.415 0.659 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779103485 VSPPIYOLIZJEDT-CXDMEPTKSA-N 446.460 0.783 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)[C@H]1SC(=N)NC1=O 1780597657 OHIGUZXCQHNBQX-QSZISKGPSA-N 441.513 0.804 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781265148 KCNWPDKLFAMRGA-IBGZPJMESA-N 435.437 0.131 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781337683 UQKOJMYGEPCIPA-JTSKRJEESA-N 435.521 0.505 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc(C(F)(F)F)c1 1782034211 QEARNPWORGQDBC-LJQANCHMSA-N 449.389 0.896 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782440253 XLNJSOOKFSFKSN-QFIPXVFZSA-N 430.505 0.862 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783197908 WDDRFFRTSCVLLX-LIRRHRJNSA-N 437.447 0.636 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2)C(F)(F)F 1783202446 KMWYGBPGMCFJQT-MRXNPFEDSA-N 448.423 0.400 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783336204 NSVADXKTYPDPMT-AUSIDOKSSA-N 428.533 0.702 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784010553 JKXAOPHPYIKYDF-XZOQPEGZSA-N 449.548 0.992 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785545452 UXRODZVLKCKUCZ-HXUWFJFHSA-N 444.538 0.862 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785598831 ZRMBSPPUIRASSM-NLSFWIRASA-N 448.564 0.847 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)[C@H]2C1 1788507388 VHXXLYJWPOBYLZ-CDMDZWAHSA-N 430.549 0.165 30 20 ICED Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c1F 1788655482 HEMCGOHPHCSGEB-VDTLCNNRSA-N 437.472 0.980 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n[nH]1 1788691722 HUGRAZDKWBPXFH-IHPCNDPISA-N 428.533 0.939 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c1 1791985214 XWRJQCJIUWCOPI-UPWFSPPHSA-N 441.532 0.500 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CS(C)(=O)=O)nc2)C3)C1 1792440338 OSNKEXGCXNGSIY-IZZQQSIFSA-N 433.530 0.796 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1793313479 QQINDAOUMFVONZ-NKGKWGDASA-N 434.518 0.089 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384664 MIUYSJPGWJKMDR-YIYPIFLZSA-N 437.522 0.891 30 20 ICED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1796881782 YLXRCLSAIDDQPL-GKQOAZBRSA-N 434.566 0.899 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1797782595 BQNVGDKJJGQRRE-ALXJQNPVSA-N 438.488 0.026 30 20 ICED COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797815100 ITKDRUBVXYURNG-FTLRFMLOSA-N 434.493 0.893 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOCCOC 1799383091 NZRNXFJMYMMUSI-RMFSNUHRSA-N 428.526 0.238 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc2c[nH]c3nccc-3c21 1800778016 RLPXETBZIZEVSR-HBCWATKFSA-N 435.440 0.297 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)ccc1F 1807059093 MDRIKZMNJBWKBZ-IIBYNOLFSA-N 437.479 0.824 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(O)n1 1808261143 GFARJWIWXIDOBS-VDGAXYAQSA-N 438.532 0.906 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)[C@@H]1c1cccnc1 1812877508 MHQHBRUEBXYADD-OPAMFIHVSA-N 432.436 0.984 30 20 ICED Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)c(=O)nc1O 1823367265 LHVSEHBXZYBITL-AWEZNQCLSA-N 425.449 0.977 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1829305456 BFOWHFRKIGMENS-JOCHJYFZSA-N 426.473 0.337 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1829773150 CAUJJRULTNECBW-ADWLJLTJSA-N 442.516 0.500 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829955823 CGYKALWMEADFCE-XMSQKQJNSA-N 426.473 0.154 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829990679 HZVRCQZGOSBGHH-IBGZPJMESA-N 430.448 0.998 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461735 ZAKMZVHELVVSFE-JTSKRJEESA-N 428.489 0.082 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831212877 IEKQASHUBHOINX-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831388488 YXUUIMPUTXBLIB-VFNWGFHPSA-N 435.452 0.338 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1831395961 DIKUJGARAAUFMT-YWZLYKJASA-N 432.502 0.504 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1831402421 YLUZSMWNPAPGRM-NYDSKATKSA-N 427.501 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831402792 RMOGRGIEFKHRSK-OPAMFIHVSA-N 434.464 0.426 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831426033 FBVLXVASSFHDRA-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831478201 OKTNQOPKSNBJQM-QFIPXVFZSA-N 446.479 0.682 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831491034 TVXGUWISJHYZEU-LPHOPBHVSA-N 429.539 0.240 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833132933 QUTRPXGVVAPYJC-HSZRJFAPSA-N 445.516 0.898 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834769035 WSRBGLIDFJDEGF-KNXBSLHKSA-N 448.520 0.756 30 20 ICED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515846 UDVXXSWSVKGHBZ-UHFFFAOYSA-N 428.537 0.778 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COCCOC)CC2)CC1 1835712742 AXJIESOTCIELGB-IBGZPJMESA-N 425.570 0.794 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997671 ZFWWYRHLRSJTEY-YVABFXQFSA-N 442.472 0.017 30 20 ICED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836322087 ZJMOACKEJFCWMS-SFHVURJKSA-N 440.378 0.631 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836373071 VXFQZJDLMIBPNP-IAGOWNOFSA-N 425.643 0.512 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837169923 VFBMAYUWMJOSFC-VGOFRKELSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1837399603 XKFSHOAONQHMMD-STSQHVNTSA-N 447.532 0.439 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1837400758 OAZULRYGPROSPL-XMSQKQJNSA-N 435.521 0.804 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441230 XOZIWPNCXMROIQ-YQNSVDCASA-N 429.521 0.932 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1838583434 BWWBJROPEQULSG-JOCHJYFZSA-N 428.489 0.198 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838584893 MIDYQJPURYIUKU-HXOBKFHXSA-N 444.532 0.977 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1839174408 ZTRZEFXNNVURRR-NRFANRHFSA-N 434.493 0.482 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1839228265 XWQNMAHNVGDNTM-BTYIYWSLSA-N 444.492 0.829 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839437393 VCFMEBJRAVGCQN-MGPUTAFESA-N 431.518 0.656 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448278 ZBTORHDDAIFJES-PGRDOPGGSA-N 434.489 0.741 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1839809835 NRDBIJSQIKWUJZ-HKUYNNGSSA-N 437.290 0.572 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1)C(F)(F)F 1839892807 HHIUHRIJSNBIDR-OLRZCDJHSA-N 426.457 0.720 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1)C(F)(F)F 1840181656 HUJNZOYHOKCJDR-IAGOWNOFSA-N 438.399 0.177 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840431499 ISCIUMOONRKNFV-KPSNGJBRSA-N 446.552 0.447 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1840506924 XMVBSICANPABHR-JOCHJYFZSA-N 432.521 0.869 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840857762 ZQUOSDIKCMTEHV-SIKLNZKXSA-N 446.479 0.243 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847124158 BXYQBUFQVQWFOJ-UHFFFAOYSA-N 432.521 0.683 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)cc1C#N 1848130521 NTGITQVSRNAFAB-IKGGRYGDSA-N 439.472 0.759 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 19010933 SVMFVDVYQYJDBZ-UHFFFAOYSA-N 449.529 0.604 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409491908 OHMAHLKFUIAASC-VGWMRTNUSA-N 434.588 0.149 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCO1 409594800 NWVCCEJFVGCQNN-MOPGFXCFSA-N 434.566 0.385 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2)cc1 427515778 UQYKUBUBIJIPEN-CQSZACIVSA-N 449.393 0.664 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 430405459 RUHMOKHYTUFAHM-UXHICEINSA-N 434.581 0.925 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)nc1 432982211 FXSJXABRQURSAO-QGZVFWFLSA-N 425.449 0.694 30 20 ICED COc1c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)nn1C 460996440 MUURTNSOCKWJGT-UHFFFAOYSA-N 432.506 0.825 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 461458181 VMSBRIZWFQSRED-NSHDSACASA-N 438.487 0.477 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461743186 SFLCBMDNSLXQTN-ZDUSSCGKSA-N 428.470 0.614 30 20 ICED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462017219 QALHRWWPIYPRNQ-MUIFIZLQSA-N 438.444 1.404 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 462069375 CIPOPPBKDKMLBV-LAQRGFTBSA-N 431.456 1.376 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)C2 466570425 RKJJCSDNDYZGKZ-UHFFFAOYSA-N 435.391 0.654 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471057092 VGMROKOPRMHPKD-QGZVFWFLSA-N 427.461 0.181 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 475498946 ZHIYBXANBKLXAD-RBUKOAKNSA-N 448.545 0.654 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480955072 RQVFYYSOKLAVQO-UHFFFAOYSA-N 440.456 0.447 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CCN(CC(=O)NC)CC2)c(C#N)cn1CCOC 481470128 WLXAXCKGZZGRLG-UHFFFAOYSA-N 434.497 0.515 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 486021825 ZIOVHQXFPQQMIJ-SNVBAGLBSA-N 449.470 0.521 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 492127544 OAMUATGXAVPWBV-UHFFFAOYSA-N 448.545 0.728 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)nc1 501617053 YFNNFRYDNSEIPO-SFHVURJKSA-N 426.521 0.219 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504397606 WWDRVDBPOJNBBL-IAGOWNOFSA-N 427.461 0.517 30 20 ICED CCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 512439656 UZWSSQPQMYSPRP-UHFFFAOYSA-N 447.517 0.502 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1S(=O)(=O)NCC#N 521267258 SOMUUGOFJCBLOT-UHFFFAOYSA-N 433.534 0.177 30 20 ICED CN(CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 522720094 PNCPYCPXJKXFAB-UHFFFAOYSA-N 436.515 0.867 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)cn1 524234300 GDVRRMGTVQIKED-UHFFFAOYSA-N 449.492 0.059 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 530348689 RSHCAPXZYDMIFO-MRXNPFEDSA-N 447.517 0.358 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C1CC1 536113865 PRGXCQFUULZBTQ-UHFFFAOYSA-N 426.454 0.967 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)CC1 538273392 JXSLUPIPEJCZLY-LJQANCHMSA-N 444.605 0.697 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 544768409 GXRBEBIJVAOIEP-CYBMUJFWSA-N 446.489 0.467 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 546905632 HWWRRHVQKARVLA-UHFFFAOYSA-N 442.501 0.450 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 550283614 HIWZXVXLNSRECE-MRXNPFEDSA-N 443.547 0.515 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 553014033 UUVSOVUZCPYATB-PBHICJAKSA-N 436.534 0.359 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 560189192 JRAWFQWXLKSNJD-AWEZNQCLSA-N 431.456 0.876 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C1CCN(C)CC1 564630246 PYLWUIXKVNLGEA-UHFFFAOYSA-N 430.505 0.573 30 20 ICED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 578812334 BRTQFYBQGUKEMI-GOSISDBHSA-N 439.516 0.887 30 20 ICED Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1C#N 589613956 MCNFJYRCKGDTFH-BFUOFWGJSA-N 431.522 0.875 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 590999087 JRPALCLWBFFGTI-UHFFFAOYSA-N 444.582 0.566 30 20 ICED Cc1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)NCC#N 608868443 UUNRGWMLXDFORF-UHFFFAOYSA-N 447.517 0.781 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 615256046 GGDYQLLOAKVMLU-UHFFFAOYSA-N 437.884 0.485 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)n1 726877267 DEQLZSWJOLEIMZ-WAYWQWQTSA-N 445.530 0.849 30 20 ICED C[C@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)N(C)CCC#N 727221445 QJGQSFHJEROTGD-VIFPVBQESA-N 425.243 0.196 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 731863576 ZTYOYQYUPHFPDG-UDJKBAMHSA-N 448.501 0.400 30 20 ICED CSC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732156406 MPTZFTYTINESSS-MIXPVSJYSA-N 434.518 0.536 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739193655 TTZBFUMQMLPBRE-UHFFFAOYSA-N 427.442 0.239 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 740745392 VTOGDPBMACVAHA-HIFRSBDPSA-N 442.563 0.563 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3scnc3C)c2=O)cn1 743726943 YWXYGZCHFBHBMJ-UHFFFAOYSA-N 444.542 0.146 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccc2O)CC1 747812428 YOFASUYAUVBOEE-UHFFFAOYSA-N 429.454 0.954 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 755551585 MKZORDMLWPOYAI-GXTWGEPZSA-N 426.437 0.476 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755552586 NQBAEXPXWYPGCA-UKRRQHHQSA-N 445.476 0.869 30 20 ICED C[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NS(=O)(=O)c1cccnc1Cl 760572679 DSEAFRHHXGOTMF-PTGFTAGUSA-N 441.897 0.435 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 762463271 LSHJJWLREDQBTH-IIBYNOLFSA-N 437.460 0.998 30 20 ICED CNC(=O)[C@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)c1ccccc1 762723380 OBLCUWXOQAMALH-OAQYLSRUSA-N 439.516 0.759 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 768116359 XBPDTSPNLPJEMK-UHFFFAOYSA-N 431.478 0.065 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnnn1CC1CCOCC1 768358118 QKOVBAPHNJTACP-UHFFFAOYSA-N 448.505 0.662 30 20 ICED COc1cc([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 768851453 KXWWXQHHIAFQTM-ZDUSSCGKSA-N 433.486 0.982 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)C#Cc2ccccc2)cc1)S(C)(=O)=O 773645191 RZVDGFWHZJJYGG-UHFFFAOYSA-N 436.511 0.959 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1N1CCOC1=O 782904267 CRJDKWVWJODDHJ-UHFFFAOYSA-N 445.476 0.665 30 20 ICED CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 783980173 PDJOZSGRSTUQAP-PYCFMQQDSA-N 435.550 0.992 30 20 ICED N#Cc1cccc(-c2nnc(COC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)o2)c1 785660538 VQWWNJKRSXRXKD-QGZVFWFLSA-N 425.445 0.832 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2ccc3nnnn3c2)CC1 786047681 BDUQPUAGOZGASB-UHFFFAOYSA-N 448.399 0.750 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cc(C(=O)OC)nn1 803644791 SVBQYRXJAJCBPY-CQSZACIVSA-N 448.505 0.478 30 20 ICED CC[C@H](C#N)Oc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 804459648 XLCPSZNCFPMGAZ-VIEUHXQJSA-N 440.460 0.731 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1C 805092544 MFVDJMORLVXYQS-UHFFFAOYSA-N 435.531 0.681 30 20 ICED Cn1nncc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 807937706 KRJMCCJANZQNLW-HNNXBMFYSA-N 427.490 0.714 30 20 ICED CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 808816754 VRKJIFCKCHILBP-INIZCTEOSA-N 429.502 0.850 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(=NOCc3cc(=O)n(C)c(=O)n3C)CC2)cc1 818293959 KEUJHODKYSCIKQ-UHFFFAOYSA-N 436.490 0.450 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)c2OC)c1=O 838165297 MIZAPDRULXWRFP-UHFFFAOYSA-N 445.541 0.849 30 20 ICED CCc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 914955771 BDUQIHHKXHQVNW-UHFFFAOYSA-N 431.474 0.534 30 20 ICED C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCS(=O)(=O)CC2)nc1C 916960685 JZRAZNYPDAJFRO-UHFFFAOYSA-N 428.565 0.854 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1253611843 KFHDGQZXLRHYSE-UHFFFAOYSA-N 431.489 0.829 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1286908281 YRRUGPCTKVHNGP-KRWDZBQOSA-N 431.522 0.471 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)C1 1312470322 OKUWUHGIBLCFRU-IRXDYDNUSA-N 437.541 0.926 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1324928790 QFPDDDJIYNCXKK-YJBOKZPZSA-N 426.516 0.064 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1516851858 PESUJQBUGBATKY-KRWDZBQOSA-N 434.522 0.608 30 20 ICED Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n(C)n1 1542999168 RJHUSGOSCBZKPO-UHFFFAOYSA-N 440.533 0.989 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1545146097 OPSNPNKFJTZANZ-LIRRHRJNSA-N 434.522 0.342 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2s1 1777988054 INSBZIBTFWHBNO-NRFANRHFSA-N 426.498 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778061156 ADKPEKTULSRUKC-JGRXZATDSA-N 446.464 0.304 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779103784 AUIGWWKPIBULLL-DXBMSLSTSA-N 442.476 0.930 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1779903866 IRADEVNUVUDTJG-JOCHJYFZSA-N 443.456 0.171 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781539319 UOHGATGOKSKYCE-IIBYNOLFSA-N 439.509 0.026 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814427 SQGBZHPXWGUCCK-UWDDZFTESA-N 449.460 0.776 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)O)C1 1781995722 VCOPJERWXXEUCM-QNFHRHJVSA-N 437.537 0.798 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782222252 KOGHZIRRWQDGQJ-FOIQADDNSA-N 440.566 0.600 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)c(F)c3)C[C@@H]21 1783529197 GZRVIQGRPGCXEB-QCVNDIHVSA-N 446.479 0.681 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc([N+](=O)[O-])c1OC 1783563331 OESVKOGMAYFDKM-HXUWFJFHSA-N 447.400 0.144 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3cc[nH]n3)n3ccccc13)CCO2 1783564242 IGXQIGBMRPVKHT-HSZRJFAPSA-N 447.451 0.861 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1noc(-c3ccccc3)n1)CCO2 1783564947 DUSJVPCPFRCGSM-JOCHJYFZSA-N 438.440 0.587 30 20 ICED COC(=O)C12CCC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)(CC1)CC2 1783565780 ZBAROARFUSIMQW-HRTMPFAESA-N 432.473 0.418 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783911135 VWLUWEFKKZNIHU-DHIUTWEWSA-N 449.548 0.992 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1784493697 CMEBGXMRAUYAPG-IAGYGMIVSA-N 426.510 0.565 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1785426203 NAGCAOCAGWPKSN-JOCHJYFZSA-N 434.456 0.428 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1785574462 KSOCIOKLAQTPEZ-VGSWGCGISA-N 436.553 0.733 30 20 ICED O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787015660 OJOOTDQBWQAPCY-AQMMJQRQSA-N 426.473 0.540 30 20 ICED COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787722048 WXLLRFDGLGNGSG-HZIWBGJKSA-N 433.509 0.886 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1788655322 BAIWDMSUFFVJPS-ZABXYJNLSA-N 433.465 0.305 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1789952636 OPAUKLUSPZEPQK-QAETUUGQSA-N 434.493 0.082 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCc4sccc4C3)C[C@@H]21 1791072680 UGKLMJHUGUSQNQ-ULQDDVLXSA-N 431.514 0.174 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145492 MCRUZHGKWLRHHE-CAIZAGQASA-N 442.516 0.831 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793249184 XWIPGBKUVWILBU-IECFSIQFSA-N 437.537 0.939 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837689 FJWCECXPHXWNMP-NQVDRWKNSA-N 426.477 0.579 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801513600 BZFOIHMTSDOCSF-CRLFCOSHSA-N 427.523 0.731 30 20 ICED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989925 MOAPFXVPCYRLCD-XEMDLRDOSA-N 428.489 0.441 30 20 ICED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1802290967 KSOXNMDNOWRYAL-JONQDZQNSA-N 431.562 0.978 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1803905047 QLBBTDWQKHRWJQ-ULQDDVLXSA-N 448.520 0.868 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814797494 GHZNONBDLOYHGU-ZIAGYGMSSA-N 449.464 0.375 30 20 ICED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322866 KMODAKOZCHADQL-LRDDRELGSA-N 430.596 0.296 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829770585 ZFEKFHXEHOXKOL-NWEJRVMESA-N 444.488 0.013 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)c1 1829777466 XBIJKZSYHSZLEW-KNQAVFIVSA-N 429.521 0.770 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1829907632 MOUDTBWPOBDDMY-XXBNENTESA-N 440.500 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1831388850 ZMRZIGPSJGEJLO-VGOFRKELSA-N 445.472 0.632 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831396018 GYZYOMJMGPWNCF-CPXNXAAISA-N 437.493 0.010 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1831419424 MYQGJXGSJMKJOU-KKSFZXQISA-N 426.510 0.766 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831425288 BRDBSOIZPLUXIZ-WVMHDHGMSA-N 439.509 0.563 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831809747 SCZQOIPORFDPDR-JOCHJYFZSA-N 446.552 0.389 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1)C(=O)O 1834518906 XXPADOCCJRDVMF-NRFANRHFSA-N 440.544 0.672 30 20 ICED Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834933534 VRUTVNYCARQRSL-UHFFFAOYSA-N 442.564 0.997 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102893 PGUBVAFTZKQNNV-NLMIPJBGSA-N 425.485 0.534 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c(O)n1 1835429085 UAJDTLWFUSNKII-QFIPXVFZSA-N 446.504 0.064 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1835682269 DOKLXOIQKHFSTK-FNEOHHHZSA-N 430.509 0.161 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835840482 SKSRJPIDMURLNF-JXFKEZNVSA-N 438.569 0.300 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nc4sccn34)CCO2)C1 1837140647 BPMXNTGBXVMVFN-KKSFZXQISA-N 446.529 0.813 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1837397140 RLFHPRUUFOKJPI-WZONZLPQSA-N 446.548 0.552 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837478101 YDWRLVXDQAVTIL-UZLBHIALSA-N 435.550 0.653 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837532711 FHGVSINWKGAYRY-XTSMJKTBSA-N 437.493 0.666 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1839173467 QVXQGCGPORXYCF-OAQYLSRUSA-N 435.452 0.800 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1839421559 XSRUDHLYEIKPII-NRFANRHFSA-N 441.419 0.164 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1839453024 KCUNSORQRLPWLJ-QHCPKHFHSA-N 436.468 0.884 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1)C(F)(F)F 1839893190 RIWUSMVKKXZYDO-MRXNPFEDSA-N 438.472 0.045 30 20 ICED Cc1cc(C)n2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2n1 1840044564 LXPTWXIZACUBHA-JOCHJYFZSA-N 440.456 0.109 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1840162730 GEWYCSDPHWDYPR-JLTOFOAXSA-N 439.509 0.929 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816527 YMWBQGHMOUCYDF-VGSWGCGISA-N 428.489 0.999 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)CC1 1844259096 FJKWFHQJHPSHSE-KGENOOAVSA-N 439.582 0.333 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1=O 410120232 PNTOBWOULUKBRR-QGZVFWFLSA-N 437.518 0.575 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 410201899 YOTIJHOVHIHRLY-UHFFFAOYSA-N 437.566 0.812 30 20 ICED N#CCSc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 431341245 ZPWHIZKLTLTYJQ-MRXNPFEDSA-N 436.559 0.363 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C 432732421 XCBVCDQDFSRERU-UHFFFAOYSA-N 434.880 0.767 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCSC)CC1 443553700 ZSIKRTDUVXRUAV-UHFFFAOYSA-N 443.598 0.335 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460610689 BPFNGZVOHCQEOS-KRWDZBQOSA-N 438.492 0.136 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471053331 OMBWQSYIZUSWRZ-PKOBYXMFSA-N 442.472 0.733 30 20 ICED COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472165618 YOUFYPCRCDOGKL-KRWDZBQOSA-N 443.504 0.957 30 20 ICED CN(CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 472665801 ACCPWIUVPYIKPJ-ROUUACIJSA-N 448.524 0.641 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)cc1 472921651 GMFFXOPLZUHDOK-MGPUTAFESA-N 437.518 0.838 30 20 ICED COc1ccc(C(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 480510019 NWETYFWIJHTXSO-CQSZACIVSA-N 430.486 0.780 30 20 ICED Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1C(=O)O 485907658 MVGUWCINQKRDSH-UHFFFAOYSA-N 425.463 0.748 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccnn3C)c2=O)cn1 488991389 ZDNCONAAEYZHQX-ZDUSSCGKSA-N 437.481 0.145 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)c1 503278068 SCMWVSCWXTUBPA-UHFFFAOYSA-N 448.435 0.480 30 20 ICED COCCN(CCOC)S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506224345 DIWMMZOFAWXVEM-UHFFFAOYSA-N 439.494 0.768 30 20 ICED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 538623320 NHYBFPDAPDLUKB-AWEZNQCLSA-N 438.506 0.684 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)c1 550493589 GVPKRJSFELNJHQ-UHFFFAOYSA-N 435.488 0.150 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 552556971 NDSQQHYBNBRPEI-KRWDZBQOSA-N 426.521 0.169 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](C)O)cc1 557746888 PSFDYTKVMGWEHX-UZLBHIALSA-N 443.529 0.638 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cn1 559053145 GLZHWYBBTVRENV-UHFFFAOYSA-N 443.489 0.104 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)ncn1 562171187 QEJYNEKRSTWRTG-IBGZPJMESA-N 448.531 0.739 30 20 ICED C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(C#N)cc1 565112084 GZNDOWYDTLDVFR-HNNXBMFYSA-N 433.468 0.624 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 565437857 MCMBKZRHGLWMHE-QGZVFWFLSA-N 433.534 0.975 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 567001631 KGEPXCSYURGYLA-UHFFFAOYSA-N 429.510 0.579 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 570490208 PBLNDZKJMYSJTN-GFCCVEGCSA-N 442.382 0.912 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 571018927 JCQFZWKXDJCTJL-QGZVFWFLSA-N 442.497 0.633 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 577109067 DROGVCZAYVLAEU-QHCPKHFHSA-N 445.483 0.831 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 588812583 RQXGPQKEUXZYCP-PXNSSMCTSA-N 441.532 0.787 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CC(C)C 603796376 PVWBWDXAOTXXQG-UHFFFAOYSA-N 442.541 0.790 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 604042780 CXTBTRNSVLLJDM-CQSZACIVSA-N 431.488 0.624 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)C1=O 607514331 JQYNIXQUTBQAAP-UHFFFAOYSA-N 425.344 0.952 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 610805109 WFBYCEQVXARTLV-KBXCAEBGSA-N 433.534 0.166 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 728536141 LPNRVZUQQXWOTA-OPAMFIHVSA-N 431.537 0.017 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1C 729671402 LRSDZAVFZNIQHO-UHFFFAOYSA-N 448.566 1.000 30 20 ICED O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCN/C(O)=C1/N=CC=CC1=O 731863553 ZLFSJUSYNHTNSF-MSUUIHNZSA-N 426.882 0.651 30 20 ICED CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1F 732910988 WSNXTPWONMOPTF-SWLSCSKDSA-N 427.429 0.498 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 733150598 OXXWNYXEZHURMX-NRFANRHFSA-N 448.589 0.582 30 20 ICED C#CCCN1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 740737931 NPCIHNRBCQYEAZ-UHFFFAOYSA-N 432.590 0.905 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747095881 VGWZERZKGHQJDV-LSDHHAIUSA-N 425.530 0.740 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 748105356 VLDWAPPVBONLMQ-UHFFFAOYSA-N 425.486 0.191 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(=O)N(C)C 758585678 SUIOOWSAUIACPK-UHFFFAOYSA-N 447.586 0.606 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 758646522 YTGVINYKCSAVED-IAQYHMDHSA-N 434.474 0.950 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 761100613 KUNGEDOFVXDTMO-UHFFFAOYSA-N 433.516 0.992 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766054312 ZPXSVNQSHSXTPM-UHFFFAOYSA-N 441.425 0.694 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 783305145 SJZOWYFBEIBKDP-UHFFFAOYSA-N 425.507 0.772 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@H]1CCS(=O)(=O)C1 783481580 QAZHCTFQMRAKLU-FQEVSTJZSA-N 446.573 0.804 30 20 ICED C[C@H]1c2nncn2CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 792355853 WREVZLHJBJCQGX-LPCAMTDXSA-N 445.505 0.633 30 20 ICED C=C(C)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802572879 KTVSHLNVPGTMPK-INIZCTEOSA-N 445.611 0.692 30 20 ICED CC(=O)Nc1ncc(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)s1 805949348 UAJWOGFHVUXQRT-UHFFFAOYSA-N 438.491 0.991 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)nc1 808568725 PRMWQESYTJMXNP-HNNXBMFYSA-N 428.399 0.681 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOC 814249516 RCXSRTVARFHTMK-UHFFFAOYSA-N 439.488 0.437 30 20 ICED Cn1nc(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c2ccccc2c1=O 816128574 PFNQZGNDEZEVPU-UHFFFAOYSA-N 427.398 0.761 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)o1 816760192 HIANOKILVMKOTK-ZDUSSCGKSA-N 443.478 0.353 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 819881960 HDSSKCBHIGWUAN-INIZCTEOSA-N 444.853 0.878 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 895786318 RXJKSULKBUMZTB-KBPBESRZSA-N 442.494 0.636 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)o1 915378968 VAHJGCXMNOUDNH-UHFFFAOYSA-N 433.446 0.008 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 919316229 YLLRWWKWEKCJJY-KRWDZBQOSA-N 436.486 0.960 30 20 ICED C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1288901204 RZHIAOSUZGXFDR-SIIHOXLZSA-N 437.547 0.878 30 20 ICED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1303737416 PTYBCOLWWDRXOM-QGZVFWFLSA-N 437.552 0.944 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1303850771 YVYHKSLTLRWLHF-VBQJREDUSA-N 444.583 0.453 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1314143557 VSRCLLDEIWJXPL-WIYYLYMNSA-N 432.525 0.917 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1321884925 ZRYCVWQUPGDFJV-LVCYWYKZSA-N 446.529 0.695 30 20 ICED N#Cc1cccc(-c2nnc(CN3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)o2)c1 1322860704 CYMBCPJMXLDRAA-KRWDZBQOSA-N 444.517 0.029 30 20 ICED CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503556357 UYCZEVMAZABHCN-OXJNMPFZSA-N 431.518 0.839 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1508425318 QNFCILKMIWFGIA-MAUKXSAKSA-N 448.549 0.747 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCC1 1510217433 JAZOWAUYZRVMCI-ZBFHGGJFSA-N 437.570 0.370 30 20 ICED CCN(CC)C(=O)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1709992198 SDDGBYXLDBOOOU-HUUCEWRRSA-N 441.558 0.266 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1729409474 KTZPCZSJXSYBSY-INIZCTEOSA-N 426.506 0.865 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1730595977 NYZZAYDQBYXACH-GOSISDBHSA-N 446.533 0.704 30 20 ICED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1740797468 PSTXQNBPANGLLT-WBVHZDCISA-N 445.549 0.816 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCC(O)CC1 1741125080 JUUVSGUYBYHBJR-GJZGRUSLSA-N 427.575 0.331 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779134277 DXXJGWRPPBSCDI-GFLKZZBQSA-N 431.424 0.938 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138621 CHDUJJBYFYDODO-IIHIVLJSSA-N 425.445 0.562 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1781454157 TXPHKJFIRDXASQ-YCRNBWNJSA-N 438.484 0.355 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781470674 OVKZIOOYGRGBGO-DNVCBOLYSA-N 428.624 0.904 30 20 ICED COc1cccc(OC)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013876 UGOKFQTZVOVADA-VGOFRKELSA-N 430.457 0.919 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782440252 XLNJSOOKFSFKSN-JOCHJYFZSA-N 430.505 0.862 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]13COC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1783045715 AZFBILCIXNMKAM-SSKFGXFMSA-N 433.505 0.333 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nsnc3NC)[C@H]2C1 1783523174 FENHTAQRRSAEOO-IHRRRGAJSA-N 437.522 0.683 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783558779 YIJYQYVAWKUYIX-OPAMFIHVSA-N 449.504 0.598 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1784282167 YCFWXZJQUNYROM-QDFBPKLPSA-N 426.517 0.949 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1785577025 KEUFIPAGBODDOM-QKKBWIMNSA-N 447.492 0.475 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787492488 FXAYKMNWZNLBMR-LZXPERKUSA-N 442.607 0.723 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788565630 OJLQRDQXEYHDAY-QZHFEQFPSA-N 427.505 0.859 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788573667 FPSHNDFQPXFJIM-CADBVGFASA-N 441.532 0.825 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813224 HTYKSYHQINJJKU-ZOBUZTSGSA-N 445.476 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1789891106 CAQGNBMTPAUIGO-IEZWGBDMSA-N 430.505 0.932 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)COCCO)[C@H]4C3)c2c1 1789918225 GZABUZKHTQXARE-ZVZYQTTQSA-N 427.461 0.037 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H]5CNC(=O)C5)[C@H]4C3)c2c1 1790861780 YULOEASSLZLYJZ-KPEUIFRASA-N 436.472 0.164 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793862455 UKMSGBAOQCBKHV-FLTUCWPJSA-N 431.514 0.581 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794033872 VHDSWBGKZSAFHQ-UPHUGPLXSA-N 432.521 0.707 30 20 ICED N=C(N)SCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795588368 GCGIZSFSNMKTTD-PJZRKMEGSA-N 427.527 0.122 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2 1795597925 KODQBGJUFANWCY-XOIINTDNSA-N 435.912 0.926 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CCN2CCCC2)nc1 1796505195 PLZKJGKACLVAIJ-OPMZPASUSA-N 440.500 0.011 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nc2ncccn2n1 1796958923 XKQVSTSVJNTADS-ALXJQNPVSA-N 438.488 0.026 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797709998 DTTKLVVVXXUOGO-FDKIHUSFSA-N 427.545 0.864 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1797710884 YIRSNIOTKIXPRS-JYYAWHABSA-N 425.526 0.674 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797713207 GZCLXFWTILEPEU-BAAGSCJXSA-N 443.500 0.794 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797897980 JFTIPXMCQQWZHC-GNBUJSLZSA-N 429.521 0.202 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799681331 ACKUSZZABBBOPD-NZGUISNBSA-N 443.500 0.471 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1800218753 HGHILWHXXPMYKO-NXOAAHMSSA-N 428.555 0.156 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2)C(F)(F)F 1800551347 UJDDOQNBXNPKKC-DABQJJPHSA-N 439.394 0.653 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)S)[C@H]1c1cccnc1 1803507711 UJXNSYVYINBOCJ-VDERGJSUSA-N 428.580 0.734 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803515432 RXGCSWCEBXPDRZ-HKUYNNGSSA-N 449.577 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)C1 1804856158 RRJIWDBNTRQDFT-HPFMTEOYSA-N 434.537 0.227 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1810306074 OTUXYTHLVHNGFO-AYBZRNKSSA-N 431.562 0.610 30 20 ICED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[nH]n1 1821879573 REMLGXKLORMROC-KBPBESRZSA-N 432.481 0.804 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCN2C(=O)OCc1ccccc1 1828595525 UUZFLDBXBVDMKR-UZUQRXQVSA-N 440.500 0.583 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1829266404 UHJLMIBKJUHMJE-QFIPXVFZSA-N 436.472 0.363 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831212838 ASYGPVWRAGZEIA-HSZRJFAPSA-N 426.469 0.941 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831386654 BVNGFKMHMBIUBB-DVECYGJZSA-N 439.512 0.986 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2)c1cccs1 1833717537 MJKHUPVLEGJOGU-WUUFJKRQSA-N 430.486 0.980 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n[nH]1 1833824087 CBLWBPJWNOMEDZ-QFIPXVFZSA-N 437.456 0.868 30 20 ICED CCOC(=O)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccco1 1834768579 DRWHWTUTSRCARF-OAQYLSRUSA-N 448.476 0.608 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C)CCO2)C1 1835148527 LZXMUUQBLSEOHI-AUSIDOKSSA-N 430.501 0.869 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835430426 YQSNSIJFFZGKKG-XJDXJNMNSA-N 435.502 0.032 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c(O)n1 1835521080 XWJPUFNFQGPGMM-ZHRRBRCNSA-N 432.521 0.571 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1835698281 KJIQCWGCOIUILN-UHFFFAOYSA-N 436.516 0.548 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837415103 SYNOUWOGAHUILN-WMZHIEFXSA-N 432.517 0.834 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837527416 MWWIORIXEIAPKX-OYPNYCBZSA-N 438.506 0.742 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837531271 GRXIYOUUZRPTBU-PIVQEWKSSA-N 446.504 0.989 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837561140 BMAJBUHODGKDQW-MHRHTVJOSA-N 429.477 0.685 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cccn1 1837567690 SVJQZUHDCHRWIW-YKABMDOLSA-N 429.477 0.613 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567855 VNIBEPZNNTYTGA-YVABFXQFSA-N 449.504 0.744 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951446 QQWOMQHJCUEQMO-AOMKIAJQSA-N 426.473 0.319 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccon4)C3)C2)ccc1F 1839186467 VQFLMELSLQAISY-NRFANRHFSA-N 428.420 0.998 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361517 PLEBSYHJXBVQTI-JPYJTQIMSA-N 425.485 0.861 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839381524 ZIDYUSZICKPUGZ-MGPUTAFESA-N 431.518 0.656 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)C2)C1 1839811747 MHFRXIOAJRAWDJ-PNLZDCPESA-N 435.521 0.722 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(Cl)c1 1839865035 DZKMHMDCCOMIPZ-HXUWFJFHSA-N 434.880 0.547 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039844 BBWLYOFJJFCPJZ-WQTXXOFMSA-N 433.505 0.476 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840043065 GDGAQLYWVNRHDF-FQEVSTJZSA-N 431.832 0.370 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270331 RAQXIAMTKYLJGZ-DOENGMGUSA-N 433.505 0.706 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646218 KUJPLRWPSKORRP-NRFANRHFSA-N 433.530 0.775 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1)C(=O)O 1840835319 HZECRGIFDOJSHU-QUDXMAFCSA-N 441.484 0.978 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C)C2)C1 1840908823 IBOVYTBYMFYYFX-PAAJWNESSA-N 435.521 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1847806880 ZBTIMTGHAVBRLS-FPSMNIFISA-N 435.521 0.454 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)nc2n(C)c1=O 24771422 CTTITBPMTQHQMO-GOSISDBHSA-N 436.447 0.794 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C1=O 440278395 DKFHTTOQZZRSQN-MRXNPFEDSA-N 427.461 0.848 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1C 442140222 RKPCMKJMAFNKDQ-QRQCRPRQSA-N 449.471 0.794 30 20 ICED N#Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1O 443061189 URYNCZFFVUNQNT-UHFFFAOYSA-N 447.451 0.946 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 465134890 YHKJQZVVHPNRKY-VTJXTGGHSA-N 425.493 0.886 30 20 ICED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 472150345 DFOYOGJAGVGDFA-AWEZNQCLSA-N 431.522 0.397 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccnn3Cc3ccccn3)CC2)c1C#N 472866981 AHNKBUPUFTVNJM-UHFFFAOYSA-N 433.476 0.527 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480431213 HXQPQSGOGQOLPA-CYBMUJFWSA-N 432.458 0.551 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(C#N)cn1CCOC 481487735 CIVKLKFYRHVMBA-RNODOKPDSA-N 446.464 0.683 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 482504264 GBQRVRGACPLNOE-BUXKBTBVSA-N 433.490 0.062 30 20 ICED Cn1c(CCC(=O)N2CC(C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 482597123 LJGIODXVXBWOHQ-UHFFFAOYSA-N 431.518 0.899 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 500631177 IIIFRXUEWWDIQN-UHFFFAOYSA-N 429.296 0.657 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 503327579 YHFOGMWOJJKTIZ-UONOGXRCSA-N 445.563 0.712 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1=O 504728758 GRYQDQAGEYPYRR-UHFFFAOYSA-N 448.501 0.113 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)c1 517459454 LEHVBHWNJXCASP-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccsc3)c2=O)CC1 517990962 PSQKIAWYLHQCQZ-UHFFFAOYSA-N 444.582 0.600 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1C 521500741 NYXXYYKCPANWRB-UHFFFAOYSA-N 441.431 0.654 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 526096832 QXDSZCRXSIHZJB-UHFFFAOYSA-N 427.465 0.360 30 20 ICED CCS(=O)(=O)N(C)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 533520665 NYFCOOIHSHUDSB-UHFFFAOYSA-N 438.554 0.249 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(CS(N)(=O)=O)CC2)CC1 537273418 IXZYNTIQUSRNTE-MRXNPFEDSA-N 425.580 0.457 30 20 ICED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549697519 HGEVCCYUWNMELB-UHFFFAOYSA-N 439.520 0.732 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 553209742 XYCBUDBQOMQCID-UHFFFAOYSA-N 430.490 0.569 30 20 ICED N#CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 553307886 OVPIRVQBJDJVLH-SNVBAGLBSA-N 449.352 0.667 30 20 ICED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCCOc3ccc(C#N)cc3)ccn2)CC1 553675506 RQBHDQQOYRLOCP-UHFFFAOYSA-N 436.472 0.475 30 20 ICED CN(CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(F)(F)F 557373799 BFIJPQNEIQNCTP-OAHLLOKOSA-N 425.411 0.386 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 557501129 KEYMIKKAALQAHQ-CVEARBPZSA-N 425.468 0.814 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(NS(=O)(=O)N(CC)C[C@H](C)C#N)CCC1 560015082 BOSUWTLSAWHPCI-HZPDHXFCSA-N 448.615 0.541 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 575038456 SRBATQHECNTJDR-UHFFFAOYSA-N 443.485 0.502 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](c2ccccc2)C1 585720599 UOLMYKZOCCPZMN-NRFANRHFSA-N 426.565 0.586 30 20 ICED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587665857 RCGBVDRKZFMFIV-QGZVFWFLSA-N 443.504 0.607 30 20 ICED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 604195806 OWGKEYHWQJNDIM-UHFFFAOYSA-N 437.504 0.875 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 610208214 LRFWRQBCEBMPRN-UHFFFAOYSA-N 434.478 0.008 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)cc2)CC1 611646899 UVAUKUFHJCWKMM-UHFFFAOYSA-N 440.548 0.988 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCN(C[C@@H]2CN(CC)CCO2)CC1 669815895 GSAIEZPCDLFXJM-SFHVURJKSA-N 443.552 0.830 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 728536353 WWKGUNBTAZBVQD-UHFFFAOYSA-N 434.562 0.174 30 20 ICED COCCN1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 729070983 WEJWCFSKLNACMC-WBVHZDCISA-N 439.472 0.627 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673182 GXMYDBVZAXZNGQ-UHFFFAOYSA-N 439.584 0.435 30 20 ICED COC(=O)c1cc2cc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2o1 737305696 IOYDZDBAHVTULX-WUKNDPDISA-N 426.385 0.801 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742245193 FXZDAQWDNNUIGD-SFHVURJKSA-N 432.436 0.653 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3scnc3C)c(=O)n2CC(C)C)CC1 743728280 IFFSUDTZRYVUKN-UHFFFAOYSA-N 445.614 0.998 30 20 ICED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)NC1(C#N)CCCCC1 745151381 IMHVVJPTJIATEK-GFCCVEGCSA-N 429.520 0.907 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 750419448 HXIBEAIZYMDSCH-NRFANRHFSA-N 438.465 0.898 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(-c2ncccn2)n1 768221655 SUARVIBFRJCYTO-UONOGXRCSA-N 440.464 0.785 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 773200720 RBVCXYGSPHIQQO-UHFFFAOYSA-N 445.497 0.878 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)c1 777172903 DZDBYWQPEUFCRH-WSRQSJKRSA-N 445.505 0.503 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 781904854 LFXPKHGOEBBGSY-LJQANCHMSA-N 430.505 0.930 30 20 ICED COc1ccc(CCN2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)cc1OC 793212679 RMPYMCJQQAXDFD-OAHLLOKOSA-N 435.502 0.845 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O 807741755 DUYBWHBORXPXOR-OAHLLOKOSA-N 449.508 0.117 30 20 ICED O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)[C@@H](F)C(F)(F)F 810183284 UDFWMHNIRSUAPG-HTQZYQBOSA-N 449.320 0.377 30 20 ICED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 810391448 FGGBULJCXNBIMA-CQSZACIVSA-N 427.324 0.926 30 20 ICED C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 816671383 WHQHSDOUFGJQGL-INIZCTEOSA-N 441.937 0.454 30 20 ICED CS(=O)(=O)NC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 827485842 YVHGLAQMDSKRPR-UHFFFAOYSA-N 442.563 0.484 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 856708296 IJUOVBTVCWUBCY-VBKZILBWSA-N 447.517 0.767 30 20 ICED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)c(=O)n(C)c1=O 884269053 BJKVEVPHUJWBRN-JXMROGBWSA-N 435.458 0.123 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916993339 DLARMXTUTREUJM-GFCCVEGCSA-N 432.389 0.652 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)CC1 920399117 NBFBSXGEAYKLNQ-UHFFFAOYSA-N 426.546 0.035 30 20 ICED COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1177251321 JIUZZYARIPNGAE-HXPMCKFVSA-N 433.486 0.981 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1299303022 OHQXCFUPYGUXTQ-ZDUSSCGKSA-N 440.551 0.235 30 20 ICED C=C(Br)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1300863148 JLSSOMFWFXMGDG-CXAGYDPISA-N 444.330 0.790 30 20 ICED COCc1noc(CN2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 1344392580 NICKDXDKDAJTSK-UHFFFAOYSA-N 429.481 0.945 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1360681282 PBMBURLFZKPHIP-KEYYUXOJSA-N 429.522 0.051 30 20 ICED CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1502287851 MAEWICZEFASXPG-ZACQAIPSSA-N 439.586 0.691 30 20 ICED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 1515132052 ZWISIFVCJBCYDX-CYBMUJFWSA-N 442.925 0.882 30 20 ICED CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1 1548038852 RUCMVHNIYWEGRQ-UHFFFAOYSA-N 448.549 0.732 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C1CC1 1554658340 PSMMMCPQHXXNIF-BMFZPTHFSA-N 426.543 0.632 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1611711324 MLYQGLNXMBCFIR-ZBFHGGJFSA-N 425.559 0.491 30 20 ICED N#Cc1cn(CCNC(=O)c2cn(-c3ccc(Br)cc3)nn2)c(=O)nc1O 1630030607 OPOYKIPKBDIHBZ-UHFFFAOYSA-N 430.222 0.594 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779105280 SUCAKZMJLAZDNW-ZGYKXIANSA-N 442.476 0.702 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C3)c1 1780181674 FAKYXPNPGJYAAB-RDTXWAMCSA-N 441.410 0.692 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(C#N)c1 1781175998 FKOOHSMLZYFQOD-NRFANRHFSA-N 447.513 0.757 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342005 GNFBRHQMXDACLY-IQUTYRLHSA-N 431.555 0.410 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013448 MEEVCAFLHPHIIC-RDTXWAMCSA-N 442.394 0.654 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196747 GMWDCSHVSGUSSG-HSZRJFAPSA-N 446.467 0.891 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557827 GGBOFOAJIYVPLK-CUBMKOOVSA-N 431.493 0.768 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)cc1O 1785595056 ZNPPYYPGYWLUBR-BQFCYCMXSA-N 430.505 0.418 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384780 FGKHVOHTTDELMY-BPUTZDHNSA-N 431.518 0.947 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788530680 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JPQGNPUZZLRETC-ALXJQNPVSA-N 432.440 0.824 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797303187 PKABKAXSUPYCGX-VTYHHJSWSA-N 432.565 0.509 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797781146 ZBSWRNCTHANECU-RMFSNUHRSA-N 427.501 0.992 30 20 ICED Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797818582 STMVINATYFZCSI-FTSVGQHTSA-N 433.509 0.871 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)NCc2ccco2)C3)c1 1798693778 QDOQMRLCBDVPKR-HQSNIFDFSA-N 437.456 0.555 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2)C(F)(F)F 1800549888 RSUYVRQBDDZSEV-JJLQDPRZSA-N 441.410 0.338 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1801598176 LLBWSURCAUYSJL-QDMKHBRRSA-N 428.493 0.914 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802112769 VJQINVDNRYUIIP-CVYSASLGSA-N 429.517 0.986 30 20 ICED 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)C1)C2 1802138441 FJIFZFWGFOSRMP-UELGHVSGSA-N 449.548 0.816 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803601256 DVLTUHLPLCTERT-CGBFIWBNSA-N 436.578 0.692 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804355796 VTCWWOQVHFMVCD-NYCLONFESA-N 444.492 0.486 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1810246882 PLRYSVVDUNOIDS-JENIJYKNSA-N 428.537 0.500 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1811887582 MMBHRENQRIFSFD-IRFCIJBXSA-N 434.500 0.866 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@@H]1c1cccnc1 1812527991 AFAGMDMUIGKVJS-DNVCBOLYSA-N 441.451 0.919 30 20 ICED CC(C)c1nc(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1812873444 BRFAOKGGXLHQHV-FOIQADDNSA-N 425.445 0.925 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668402 YYDRCMHILDDRSK-TZMCWYRMSA-N 433.469 0.755 30 20 ICED O=C(C#Cc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816957464 RPCPXKXKFXXDGX-HXUWFJFHSA-N 439.516 0.740 30 20 ICED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1)C(=O)C(=O)O 1819395917 QZMYDBUZHFLIHW-NGZBARDMSA-N 447.496 0.417 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)Cn3cncn3)sc2C1 1820061340 TXGSQZKSYCKPHV-KFBXHMBNSA-N 443.533 0.841 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1823744658 ZRHKDBYYBXSXLE-MJRGOJFPSA-N 430.553 0.304 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826876253 SZSGCOUHAYRAJD-ZPCWFPIVSA-N 448.568 0.975 30 20 ICED O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828995727 PCAIVHXSPKPFRM-BYWZACNXSA-N 443.504 0.870 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)C1 1829672532 QHGDYWSBGVVHDC-DEOSSOPVSA-N 440.544 0.806 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830063361 PVCJFMGCGMODDC-QFIPXVFZSA-N 426.473 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1831405760 JECVHGRUKFGAQI-SIKLNZKXSA-N 434.537 0.958 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1832353784 KZLBWNXGNZJSAV-NRFANRHFSA-N 447.875 0.155 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nsnc3NC)CC2)CC1 1833463951 HDKCIHYZVGXDQZ-CQSZACIVSA-N 434.566 0.803 30 20 ICED CCOC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccco1 1834768578 DRWHWTUTSRCARF-NRFANRHFSA-N 448.476 0.608 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835341747 CVNWEPNVPFJMAP-FQEVSTJZSA-N 445.432 0.372 30 20 ICED NC(=O)c1ccccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836451176 SRLLCUZDAMWXST-UHFFFAOYSA-N 426.473 0.059 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1836862775 XXZOTXNJGGMCBW-KSFYIVLOSA-N 438.521 0.639 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837441095 RFDUETQFQZORPY-ZZAWEDPDSA-N 430.505 0.934 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c1Cl 1838598470 JQCFGLURJQUWEO-IBGZPJMESA-N 431.836 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068103 VDJFVNSQADMCBY-XMSQKQJNSA-N 437.537 0.294 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839162900 DLSFVYOGCIIUML-JLTOFOAXSA-N 434.880 0.416 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839344209 PVOWNPQQIYTAPT-QFIPXVFZSA-N 428.489 0.507 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423076 WYELFKIPULDADW-FQEVSTJZSA-N 434.880 0.418 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nscc13)CCO2 1839577727 UXMXUKZRRCOWTC-FQEVSTJZSA-N 429.454 0.454 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839681792 XHGIQGDHGXYLQB-GQIGUUNPSA-N 426.466 0.043 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1)C(F)(F)F 1839892222 ZUAYYOCLMNCFFK-KRWDZBQOSA-N 430.383 0.801 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sccc4c3O)C2)C1 1840044771 WRUHEYNXLXWKCW-OAQYLSRUSA-N 444.465 0.765 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)C1 1840571825 ROBJZBNIXNHEHZ-QFIPXVFZSA-N 430.480 0.258 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716970 ZJRGELJGJXSGBX-HXOBKFHXSA-N 442.516 0.910 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1841054107 MJGODYODRIOEHV-FPLPWBNLSA-N 432.502 0.161 30 20 ICED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847445164 ALNYRQLWUPAOQG-FYFIAZQYSA-N 426.539 0.764 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)CN(C)C2=O)n(Cc2ccco2)c1C 19113508 UDQYFZXDSVYGEK-UHFFFAOYSA-N 427.417 0.994 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)C1=O 57651593 WOAZODYSIPOOOW-UHFFFAOYSA-N 436.446 0.508 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4cn5ccccc5n4)CC3)CC2)o1 97286839 PHKCDUALSZQSGY-UHFFFAOYSA-N 448.531 0.969 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 409508084 LKQIXBDOGHWPFP-MRXNPFEDSA-N 427.914 0.365 30 20 ICED CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409548004 GZWGIWDQJPJAHQ-KRWDZBQOSA-N 442.563 0.415 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 430477348 ZIHXPPDFAWKZIA-PONJGIIJSA-N 438.488 1.571 30 20 ICED CN(CC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)S(=O)(=O)c1ccc(C#N)cc1 433966607 ALNNVYWXFSSELT-UHFFFAOYSA-N 441.513 0.661 30 20 ICED COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 435112713 DAPJYFDOFHRWGC-NWANDNLSSA-N 436.490 0.509 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCOC1 441947961 KUSNCPFFKOJVIQ-OAHLLOKOSA-N 447.582 0.972 30 20 ICED CCN(CC)C(=O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460616661 XNRRMWSZCGKWPU-UHFFFAOYSA-N 437.504 1.493 30 20 ICED CCCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 464863776 ZIJSQEYDZOGFTF-IAGOWNOFSA-N 434.566 0.675 30 20 ICED CS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 474857614 IYCLDESUKNCIOX-UHFFFAOYSA-N 440.547 0.541 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n(C)n1 487492335 PBXDFYJHRBJSPM-QZTJIDSGSA-N 435.488 0.806 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CC1 488144644 MIWIOHQSWJTWQS-UHFFFAOYSA-N 447.513 0.144 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1 489026686 QHXJVFRMELDBNF-HIFRSBDPSA-N 442.493 0.496 30 20 ICED Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 492459605 GDVBRMIBIKGAJQ-UHFFFAOYSA-N 431.456 0.991 30 20 ICED N#Cc1nc(N)n(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 504184456 JIWNAOPLLOTIDH-UHFFFAOYSA-N 449.880 0.522 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505546321 DVOULCNGWOEPHQ-SNDSALASSA-N 443.456 0.944 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506715168 IQUOGGONDYUTLY-GJZGRUSLSA-N 438.506 0.356 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 521305068 JAALWEJWHOMJDG-HXUWFJFHSA-N 441.532 0.739 30 20 ICED CC[C@](C)(C#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 523354867 VJOMEFUQARIBMI-JOCHJYFZSA-N 438.488 0.863 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 524282274 ZTRIEKBJLIIOCL-UHFFFAOYSA-N 426.542 0.938 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 536340818 IGTCAQQRLSAFCZ-UHFFFAOYSA-N 435.419 0.960 30 20 ICED CN1CCN(C(=O)c2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)ccn2)CC1 542687375 SNPKPUMTTZDKFK-UHFFFAOYSA-N 425.497 0.743 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 545492956 ADBBQUDNCWQRRK-CQSZACIVSA-N 442.432 0.374 30 20 ICED C=CCN(CCc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 553408539 KJUNEMNQRVHNFX-UHFFFAOYSA-N 425.576 0.739 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCN2C(=O)c3ccccc3C2=O)n1 555035015 FKKACAIXBKOFGZ-UHFFFAOYSA-N 443.423 0.880 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 556365585 YSWAYPYULWTXTJ-RTBURBONSA-N 447.499 0.351 30 20 ICED C[C@H]1[C@H](N2CCCC2)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558138065 RTPZCECESFDYPD-AZUAARDMSA-N 445.589 0.950 30 20 ICED COCCN1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1=O 559019962 CQCMRLLKTSLALG-UHFFFAOYSA-N 427.461 0.483 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 573469569 FFVCNELSVIZCNU-NVXWUHKLSA-N 442.563 0.716 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cn1 587727086 AIJJYUXASVQFCY-KBXCAEBGSA-N 429.502 0.950 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2=O)cc1 588869838 OLUGLVMEFNAFBM-IPMKNSEASA-N 426.473 0.182 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 604068868 VRRDSVNHWIPZHR-IPMKNSEASA-N 430.530 0.431 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 604458089 HFNABGUHXLZGEO-CYBMUJFWSA-N 433.577 0.568 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C 609220238 RDXZFLRVTAQUGI-UHFFFAOYSA-N 444.532 0.865 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cn2)CC1 609565742 JWMAKTNVIDKSQW-UHFFFAOYSA-N 442.501 0.290 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)N4CCCC4)CC3)n2)cc1 610531293 HTGGMZFMKKFWHC-UHFFFAOYSA-N 436.476 0.497 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2coc3ccccc23)c1=O 610955603 DQVSICJRUTWCLH-UHFFFAOYSA-N 441.509 0.958 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613080242 NIWCLJQVXPXGLL-UHFFFAOYSA-N 433.486 0.274 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726585190 UHJIXVUJEGYCIS-KRWDZBQOSA-N 426.521 0.812 30 20 ICED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 727174927 KEENNCOOCVKPOP-INIZCTEOSA-N 436.534 0.460 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCN2C(=O)CNC2=O)c1 731105442 JYVIBIJEBPQKLO-PXLXIMEGSA-N 436.494 0.563 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cn1 732797592 SBRJFSQRNFLNFS-UHFFFAOYSA-N 439.472 0.698 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c1 735593149 DWQLGNDXDWZJKF-UHFFFAOYSA-N 446.485 0.769 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 740518872 QSBIXDYGQCLYQR-UHFFFAOYSA-N 441.531 0.137 30 20 ICED C[C@@H](CC(=O)NCCS(=O)(=O)NCC1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 742656486 GMNOSDHYDFYRHZ-ZDUSSCGKSA-N 442.563 0.339 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 744032850 OZOVZZPDUCJGKT-BRXAQIOASA-N 441.440 0.904 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 744709031 HQBNQIPWRMWJBO-ZDUSSCGKSA-N 425.463 0.265 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)c[nH]3)CC2)c1 748223839 DECGJPFXAZWIOC-UHFFFAOYSA-N 444.469 0.779 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)CC1 749667716 WRHALKFCVJWOIM-YFHOEESVSA-N 428.489 0.648 30 20 ICED C#CCNC(=O)c1ccccc1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 754300049 TVRFZJNSWBRBDP-DLBZAZTESA-N 433.530 0.656 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758472695 JEPUVUDGOVZIPX-RDJZCZTQSA-N 436.557 0.987 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 767625575 BKORRBYKOWZJRH-RHSMWYFYSA-N 443.481 0.888 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 771459112 MYTKZEFANGSSKD-ZDUSSCGKSA-N 448.501 0.814 30 20 ICED CCOC(=O)CNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 771862277 LAGJZCGSUHKOEW-QFIPXVFZSA-N 441.488 0.674 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 787756244 OTFDQEWGQCDMNC-UHFFFAOYSA-N 427.440 0.168 30 20 ICED Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 793807328 YOBPPEAWCLAVRB-UHFFFAOYSA-N 430.472 0.807 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 796583329 FZEIMASWROPWBK-UHFFFAOYSA-N 428.532 0.774 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 798322161 NJHZJZQHWRJNAH-UHFFFAOYSA-N 428.308 0.698 30 20 ICED C=CCN1CC[C@@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1=O 798602312 QILCLHCCMXENFI-GOEBONIOSA-N 434.470 0.954 30 20 ICED C#CCNc1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 804606123 YXQCXADBEAHXDK-GJZGRUSLSA-N 438.536 0.762 30 20 ICED COc1cccc(CNC(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 831243699 MVSBTVQEWIKNTC-ZDUSSCGKSA-N 431.470 0.982 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 831749157 ZZZAZXVZDPGNEX-UHFFFAOYSA-N 436.490 0.809 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915775559 QYOQRZNRSBWEBZ-UHFFFAOYSA-N 432.462 0.302 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 917036208 VRDQFLSKTLWNKX-JFIYKMOQSA-N 447.513 0.098 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCN(C)C1 1287218410 XHQCIGSMDNPJGD-IIBYNOLFSA-N 425.541 0.845 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1288808957 ZPKFFPLSYVHYNT-HNNXBMFYSA-N 439.586 0.739 30 20 ICED CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1297786570 ZSEBQFOFZIGWQP-AWEZNQCLSA-N 444.583 0.250 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@H]1OC 1316330388 JSWUMEKKQGWONL-HDICACEKSA-N 448.549 0.995 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1504927333 VXPYPJVSDFGUFV-UHFFFAOYSA-N 441.536 0.975 30 20 ICED CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1515444349 KZTMAZFNLAIZGS-MRXNPFEDSA-N 446.533 0.830 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1731011733 IVIGDECROAPGKB-XNJGSVPQSA-N 425.490 0.095 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750388121 KEUTVXFHLDVTKU-MRXNPFEDSA-N 430.463 0.822 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(C)c3c1CCC3)CCO2 1781269449 SLVYQBLXBYGFKQ-JOCHJYFZSA-N 430.505 0.862 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781420868 WYMCKOWVLMLWQR-HRAATJIYSA-N 448.524 0.577 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793056 FNULTDFEIJELKG-NRFANRHFSA-N 429.546 0.680 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)N1CSCSC1 1782010032 AMFFMKSLZMDUCT-QMTMVMCOSA-N 441.575 0.631 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1782182239 MCFDKJNMYRHNBL-ZSZQSSIHSA-N 447.623 0.490 30 20 ICED C#CC(=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 1783475574 FYXDHWCSROGJIN-MPWIWIEXSA-N 433.505 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3ccccn3)C[C@@H]21 1783531747 UMLIFAVVKJYVKW-DIXNWWEZSA-N 441.532 0.720 30 20 ICED C[C@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)N1C(=O)OC(C)(C)C 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N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789707981 LHEBSCIOEGSNNP-BPUTZDHNSA-N 431.518 0.175 30 20 ICED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)cc(C(F)(F)F)c1 1790257676 XJDKCTWEFJKGNR-CQDKDKBSSA-N 427.379 0.481 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3)C[C@@H]21 1791073149 NAYSVHQRSYHIFA-WDSOQIARSA-N 441.484 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791706480 JVDSLSQWZUUXIJ-FCPZNUGYSA-N 428.489 0.168 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793374245 BVIZWLYMALCTOQ-REGYPHIPSA-N 449.529 0.207 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795352301 YMFAEAZDYAZEDN-BJWYYQGGSA-N 439.516 0.577 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c1 1795961913 JBKULQBVIGAKRB-BCDXTJNWSA-N 434.433 0.854 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1796446526 ZSPWAMLZIFPHJI-FAKDNFGVSA-N 447.513 0.919 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nccnc2C(N)=O)c(C#N)c1 1799041637 XEKGJVUIZNQQRC-BJWYYQGGSA-N 448.483 0.950 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1799394250 CBSDPMRJFYAZPK-VXIBKDFQSA-N 447.536 0.677 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C3)c(C#N)c1 1800031937 AMVLLXIEUDNGIZ-ZMMAXQRCSA-N 427.505 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]1c1cccnc1 1802872147 KPTFPBQODCFTLN-WNRLEXOASA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1804888497 OAGDCVCYJHVFQK-KTORJYKWSA-N 438.488 0.699 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)CC1 1806039581 HQVWALKCVLCXQQ-TUYSUELWSA-N 439.578 0.757 30 20 ICED N=C(N)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807055612 RSGRBYYITMGUKT-XLIONFOSSA-N 426.521 0.269 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1808369793 QBTKJVFKESGSQX-REJFHCJSSA-N 431.493 0.751 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@H]1c1cccnc1 1813470323 DOHXOOHARHTYRH-XOYOTBSWSA-N 427.509 0.908 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)CC)[nH]n1 1815195575 WMEQKUJTMQWLLL-SQWLQELKSA-N 439.538 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC)NC(N)=O)n[nH]1 1817988895 YYVOTGDNMDNEHE-YPSPLPASSA-N 431.497 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821651277 GSEVBSPGYSHFHB-WLMCBFPDSA-N 439.476 0.517 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)ON=C(C)C)sc2C1)C(=O)O 1823080569 YIJQHCGANIOHFF-NQBHXWOUSA-N 425.511 0.919 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2)C(F)(F)F 1825269885 IUHZYZLOZLKBQR-MRVPVSSYSA-N 434.396 0.717 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1829260274 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OKBOPFCIGAZQNU-QHCPKHFHSA-N 442.516 0.174 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1 1833468063 LBVIKOYJDHNRPA-CQSZACIVSA-N 447.454 0.702 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1834346202 GOIDKLZOZDAHKQ-MFBSEBAMSA-N 436.465 0.582 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1834756008 HWSBJMCILYOJCM-HSZRJFAPSA-N 441.532 0.664 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836047555 PZPSYJYPIFVBMZ-SFHVURJKSA-N 448.593 0.715 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836048388 HEVFUXHDEVOKEO-QFIPXVFZSA-N 432.521 0.848 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836883755 OTDISELCFNDBEG-QGZVFWFLSA-N 443.566 0.482 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)[nH]1 1837486439 FOHBCIODEGVNPY-QFIPXVFZSA-N 430.505 0.487 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837560431 QMBXHELPOCTNNG-NHMXVPMISA-N 446.548 0.887 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838094205 ODQDDNOJZXSLLO-BZLIYVJTSA-N 430.509 0.327 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(Cl)cc5nn[nH]c45)CCO3)C2)CC1 1838618153 DARZACYVLKXNTJ-FQEVSTJZSA-N 444.879 0.985 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)CCO2 1839185883 PJJGHALEXXLWNW-VGOFRKELSA-N 435.521 0.936 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)ccc1F 1839186578 DAOZTMACOIIQGF-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccccc1 1839194685 KEANCGWXCPDMBO-ZJSXRUAMSA-N 444.528 0.649 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839841615 UFHPMVFRVHTNGQ-QVKFZJNVSA-N 429.477 0.717 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839889237 JWCVKIUMVOLEHY-GOSISDBHSA-N 440.403 0.456 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1)C(F)(F)F 1839893094 MCOJZFHKUTUAFW-QFBILLFUSA-N 442.438 0.526 30 20 ICED Cc1ccc(SCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840042743 MXCYNJLPPUSULC-NRFANRHFSA-N 432.498 0.632 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)cc1Cl)CCO2 1840110393 JWHCNMMMJQLRFT-ZZNNXKBLSA-N 448.859 0.603 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273128 BYZXAKMBAKTRJH-IRZJEQJZSA-N 436.553 0.276 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc(C)s3)CCO2)C1 1840517671 QWMBUFMPTASSHO-YONMQOAISA-N 433.530 0.959 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840597357 HTRBBMRGLXZSLW-QHCPKHFHSA-N 443.500 0.699 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841582694 PVIAWMVOKRKHRU-FCNSZNEASA-N 430.527 0.047 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C[C@H]2C1 1846107839 QASUOJFDNKZBKY-NYHFZMIOSA-N 431.489 0.925 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 10932177 DELHNYYNTYOVOC-UHFFFAOYSA-N 429.426 0.015 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2cccc(Br)c2)n1 429781513 CMIQBMDAGUCAGH-CQSZACIVSA-N 434.294 1.465 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 460574594 NVIVPGIKXAXLEY-HZPDHXFCSA-N 439.520 1.390 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 472712032 GKRWNNYOIUIJKA-UHFFFAOYSA-N 449.514 0.008 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1O 475515900 GZTDCZLVGPZXQO-QGZVFWFLSA-N 447.513 0.860 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C#N)s3)c2=O)cn1 482569330 NOGFHNSGGNBYCU-UHFFFAOYSA-N 436.522 0.830 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488661370 YEIKSZBSEKTNHX-QGZVFWFLSA-N 449.467 0.782 30 20 ICED COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 491270918 LEVNWGCOOPTKMK-DLBZAZTESA-N 428.445 0.544 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(CCC#N)CCN2CCOCC2)c1 497523444 ZACXFQCWWXJKPZ-UHFFFAOYSA-N 436.534 0.632 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509604190 MSQCGFLNJZTSAU-CQSZACIVSA-N 436.581 0.455 30 20 ICED N#C[C@@H]1CN(C(=O)Cn2cc(Br)c(O)nc2=O)CCN1Cc1ccccc1 511770263 BDIMPBIWRAWEKM-CQSZACIVSA-N 432.278 0.948 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513178936 PIVHDZDRYHGGJQ-UHFFFAOYSA-N 441.467 0.490 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)CC2)o1 513676714 JLQYXUHLHKSRRM-HJPURHCSSA-N 445.483 0.849 30 20 ICED N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 515217396 XGXCICMAZWBQBY-UHFFFAOYSA-N 438.487 0.086 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c(C)c1 517974506 YIOJEDAOMKJFDN-UHFFFAOYSA-N 436.472 0.674 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 523294870 JHOVGWIPRRZRHA-UHFFFAOYSA-N 429.502 0.607 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c(SC)cc1OC 524638443 OSGUYPMFDCDJSP-UHFFFAOYSA-N 431.539 0.968 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 527030626 UYGOJXIAMOKUPY-LBPRGKRZSA-N 433.436 0.172 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(-c3ccccc3)n2)CC1 550355293 GODYNHVCOBIDTA-UHFFFAOYSA-N 441.557 0.915 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1F 551427259 CITURYNEZWORLX-CQSZACIVSA-N 447.448 0.619 30 20 ICED COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 553804511 OFPLODZHZGCHNW-QGZVFWFLSA-N 445.495 0.490 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 565122919 OEZVOCYBXBJEJD-IBGZPJMESA-N 444.532 0.225 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 568079498 BNMGVXNJEGOZKM-UXHICEINSA-N 442.560 0.933 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 579765271 RDKHEOZFCFQCNB-UHFFFAOYSA-N 443.533 0.850 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(O)n3C[C@H]3CCCO3)CC2)o1 603568165 SDTYHYWRUKSNJT-CYBMUJFWSA-N 433.494 0.772 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 608842962 AKTJVOBJAXHVQX-UHFFFAOYSA-N 449.519 0.314 30 20 ICED COC(=O)[C@@H](C)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609649470 FNUWYERKJMVQEN-AWEZNQCLSA-N 425.532 0.933 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1=O 726042141 DUEYYLVGBYUUBG-UHFFFAOYSA-N 439.428 0.948 30 20 ICED CN(CCCC(=O)N(CCC#N)CCN1CCOCC1)C1=NS(=O)(=O)c2ccccc21 742060689 QMFDBDYKFUIQFQ-UHFFFAOYSA-N 447.561 0.922 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 742798072 ITUZZFPXNICGJE-HNNXBMFYSA-N 435.481 0.867 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744705779 UBQLBDOTMRFASQ-UHFFFAOYSA-N 431.478 0.406 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCc1ccccc1 767677913 GXPSDVUPQPSRFF-CQSZACIVSA-N 444.469 0.794 30 20 ICED N#CCN1CCC(OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 770771914 WZGCNPYCLPDDJC-UHFFFAOYSA-N 448.545 0.831 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(COc2ccccc2)n[nH]1 771578976 PZZPKRGSISKMJX-UHFFFAOYSA-N 426.458 0.739 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)C1CC1 784920789 MMAOMBLZDBOCFN-UHFFFAOYSA-N 446.511 0.931 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)c1 785286805 RMOPMIJTENWOQH-KNKKCGMZSA-N 444.460 0.666 30 20 ICED CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1=O 788764994 HARDKAIXBPWZFV-UHFFFAOYSA-N 428.426 0.806 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)o1 796281413 WSUCZSBBLKDEEE-UHFFFAOYSA-N 447.473 0.900 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)C1=O 798741215 LMVWXHKIROOAQE-BUXKBTBVSA-N 425.405 0.142 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)NC(=O)NCC 804944469 QVUOTXGSOZIKLT-LRTDBIEQSA-N 428.445 0.929 30 20 ICED O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN/C(O)=C1\N=CC=CC1=O 810382803 TXBXXMMAXGQVCO-FOCLMDBBSA-N 447.300 0.914 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2nc(O)[nH]c2c1 821695481 DNEANBZNLNJVNB-UHFFFAOYSA-N 429.414 0.489 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916918454 MNSMCGJRWZZZOD-KRWDZBQOSA-N 432.502 0.311 30 20 ICED C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 917155879 IZEJQRSSPGEBCT-MRXNPFEDSA-N 442.541 0.933 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)ccc1F 918067186 BZXOTKWPHCRYMK-AWEZNQCLSA-N 433.527 0.834 30 20 ICED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918307081 MHBZMAWDBBYLDE-JWGURIENSA-N 437.522 0.421 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1291223643 KYUIGTIXJQDYTQ-GDBMZVCRSA-N 428.518 0.918 30 20 ICED CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1305552088 WOEQIGDBASMCAA-PBHICJAKSA-N 425.493 0.784 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1321793484 YJIKCDIYTHSSPQ-UHFFFAOYSA-N 436.534 0.680 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C2CC2)cs1 1360714153 NDGLMGLBASPOMF-YPMHNXCESA-N 437.551 0.999 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)CCOC1 1502669245 ZEDIFCKVBYGBLQ-NRFANRHFSA-N 432.525 0.952 30 20 ICED CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503615662 ZVDJMYRJIRBNDT-FQEVSTJZSA-N 441.517 0.699 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C#N)c(C)nn3C)cc2)CC1 1528123119 NZXUPYUXGRKNDA-UHFFFAOYSA-N 430.490 0.705 30 20 ICED Cc1ccn2c(CN3CCN(C(=O)CCn4cc(C#N)c(O)nc4=O)CC3)c(C)nc2c1 1540406642 MVBVMZTVYUHXRL-UHFFFAOYSA-N 435.488 0.820 30 20 ICED CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541607264 KOKLPQJSMJMCPY-FUHWJXTLSA-N 435.598 0.697 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1634500202 XIAFMDQXQKOYGB-ZDUSSCGKSA-N 439.925 0.609 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1637403157 NQXLXZKAFDNQGF-UHFFFAOYSA-N 433.465 0.797 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749268898 ITXSGSKTBZHGOQ-LBPRGKRZSA-N 437.975 0.451 30 20 ICED CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766865614 RRZLRCNMUDIMET-UHFFFAOYSA-N 434.508 0.750 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1778158377 FFBQQULWDLRGMZ-QFIPXVFZSA-N 442.472 0.853 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105594 FRCJOEWANUHALR-DXLWNWQMSA-N 444.488 0.758 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)n1 1779240337 GVVMWHVYFIWLPN-JOCHJYFZSA-N 427.505 0.811 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1781469865 GDGJGWGEFBDZSX-JOCHJYFZSA-N 425.441 0.567 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cn5ccccc5=O)CCO4)C3)c2c1 1782195940 LYIVJYNXRLMMIS-HSZRJFAPSA-N 446.467 0.740 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21 1783530261 NMHHNSOTDMODMJ-MMLFBZMQSA-N 425.485 0.707 30 20 ICED 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)C1 1791076921 PXGLJVISGPSXIM-QZWWFDLISA-N 449.504 0.311 30 20 ICED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCC2)cc1 1791444952 VKYLOWCIIWBYRQ-UHFFFAOYSA-N 442.453 0.674 30 20 ICED 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)[nH]1)C2 1793597256 HUPPXZTUBDSOPF-HLPPOEQASA-N 449.508 0.788 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794318743 MIZLNJZGAYWVCR-JLVBRIDZSA-N 439.559 0.608 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1795599757 IKIJRKDVVFHILQ-JLVBRIDZSA-N 445.476 0.785 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1796323530 CMNDSIMNVUFBGS-QZCFVMSDSA-N 427.505 0.964 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1796448864 RCEQCYCYPBUZMQ-KYHPRHEASA-N 437.537 0.918 30 20 ICED C#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]1CCCOC1)C2 1802127864 ZGCHFLNWAUZRKI-OYSTVDSJSA-N 449.548 0.919 30 20 ICED COc1ccc([C@H](O)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1802805194 JUGVGBZYLQIQMX-YHYVQYDKSA-N 437.452 0.918 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2cccnc2CS(C)(=O)=O)[C@@H]1c1cccnc1 1805022781 GREVRRYWJIOIQI-JXFKEZNVSA-N 426.498 0.974 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)C1 1806003624 VCIBDPJPRZRMFT-QGZVFWFLSA-N 441.532 0.900 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806585805 AGZPLQOXZCGYBD-OEAKJJBVSA-N 432.525 0.241 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807023996 KQKVOGQTGBWFLB-OIISXLGYSA-N 444.494 0.767 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810095159 ONROLAQTIVMJRQ-SFNKJDCFSA-N 448.520 0.725 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681933 AXSZFOUSBSFTGB-PHAQFDFPSA-N 434.482 0.271 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccn4c(O)nnc34)sc2C1 1816967899 DGAOLGTVTBWPLS-SECBINFHSA-N 426.414 0.205 30 20 ICED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774173 JHUCNQYJWLNPAO-UMMGLKEPSA-N 435.554 0.120 30 20 ICED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825120345 CWBOICNUBWYWRY-UWVGGRQHSA-N 428.478 0.707 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)S)CC2 1826649590 DNRIGKPELFLYBS-GLXFQSAKSA-N 436.563 0.844 30 20 ICED C=CC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829288916 PZZMCNMEZHMJDW-HXOBKFHXSA-N 445.516 0.961 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458997 OJFOJPZRUIMEQK-QHCPKHFHSA-N 445.516 0.610 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1831393053 UBPMESPGFNPSHM-SBUREZEXSA-N 440.500 0.682 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1831397346 QWTPJUGELGAAEE-CVDCTZTESA-N 433.549 0.500 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1831399011 NOKCQDFKVCSOHB-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832151056 QIZGSKARAHXJSF-QZTJIDSGSA-N 438.443 0.739 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832575729 IKBSXIFDZAXVOG-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833582739 OCGUGRNMEDWTFU-HTAPYJJXSA-N 432.521 0.746 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712906 OJTKRCPEJWCRMR-UHFFFAOYSA-N 431.537 0.303 30 20 ICED Cc1cccnc1CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833782698 SHUQPJARWVIXBZ-UHFFFAOYSA-N 426.517 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nccn3C)CC2)CC1 1834268671 GIUOMOFXITUZJP-PLNGDYQASA-N 428.537 0.464 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1835102899 PPDOZEOQPLQXSY-SIKLNZKXSA-N 446.525 0.072 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348124 ROCBXUSVTXNVLD-QVKFZJNVSA-N 436.509 0.660 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835943503 QFQXOIUYCGYDAW-NRFANRHFSA-N 448.545 0.912 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)c1 1836893424 SFIHFOCJENOSJW-NRFANRHFSA-N 435.444 0.313 30 20 ICED CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837262901 SWCQTSXCVCCHPV-GLHNXZBASA-N 425.482 0.522 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1837429406 WXFQRTWYDKGDOT-PGRDOPGGSA-N 449.624 0.773 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnn4cccnc34)CC2)CC1 1838309991 YPNWJENVSMQLGF-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2)C(F)(F)F 1838429701 BRUXHLNRYCUELN-SFHVURJKSA-N 439.394 0.918 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628101 VOINXFZRQOLJPV-FQEVSTJZSA-N 446.416 0.697 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1839173328 KFURKEWPZHBNFV-HSZRJFAPSA-N 445.516 0.898 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1839807460 BNDTUXUASWFBQC-INIZCTEOSA-N 444.225 0.587 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1839809256 VMVCFWLDZVRFFQ-GOSISDBHSA-N 441.253 0.997 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840442479 FZVLYKASBBUXEX-DYESRHJHSA-N 434.493 0.410 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818472 DUMNQGPDLKAYFP-LXBDKUERSA-N 445.516 0.800 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058403 ILTHIBOFWBJZMP-UONOGXRCSA-N 431.493 0.997 30 20 ICED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)C#CC3(O)CCCCC3)C4)cc21 1843999044 VVSMRDBYHKMFQR-UHFFFAOYSA-N 439.516 0.532 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 1848279907 ZSFBELIFJIXHPP-ROUUACIJSA-N 435.436 0.857 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3cccnc3)CC2)cc1 31796702 DKVFXZIBSVPWTB-UHFFFAOYSA-N 441.513 0.900 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 409577937 VQFNEPWYIQQZFW-INIZCTEOSA-N 441.529 0.877 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 439188051 KLPHMKLWEPAQMZ-UHFFFAOYSA-N 426.442 0.784 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1F 446529318 ZOSJAHRODKJPIW-UHFFFAOYSA-N 440.497 0.383 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1 447322513 ALWBSBWZLNXTLX-YJBOKZPZSA-N 426.477 0.901 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(C)C 461339678 AYXYQYZBTVSJLP-UHFFFAOYSA-N 433.505 0.979 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@]3(C#N)CCOC3)CC2)cc1 478660992 ZGFRWIPOGHRWTE-HXUWFJFHSA-N 434.518 0.407 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 480151292 JBOGJNQUGZFXEK-OAHLLOKOSA-N 432.510 0.840 30 20 ICED CCN(C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 481786061 KEHZMPFKHHWTET-AWEZNQCLSA-N 442.563 0.498 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 482860713 UYZXZGVUBCBVEY-IRXDYDNUSA-N 447.561 0.380 30 20 ICED Cc1ncc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 489811203 KFWFJDMMRVHQRL-UHFFFAOYSA-N 441.457 0.401 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 491223754 OQMGEYDEXGPMIE-UHFFFAOYSA-N 441.532 0.698 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498991532 PEWQDPVSUZLQMA-DAXOMENPSA-N 438.575 0.211 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)o1 502730571 JZOKOYFHXSDTBK-ZWKOTPCHSA-N 445.497 0.958 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 508945509 MBWUZSYWEMGDTQ-INIZCTEOSA-N 434.522 0.333 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 519514758 CWKWBLIPUJCDSJ-UHFFFAOYSA-N 447.499 0.557 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 525692321 POVQGOALPLGFGF-UHFFFAOYSA-N 435.437 0.016 30 20 ICED N#CC(C(=O)c1cccc([N+](=O)[O-])c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 538267039 XSKVZEXYRDWCJU-UHFFFAOYSA-N 435.421 0.084 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@H](C(N)=O)C3)n2)c(F)c1 541143832 OKIZICUCGNDOMS-HNNXBMFYSA-N 441.467 0.525 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546206076 LFWWECZVLCVTHO-UHFFFAOYSA-N 442.501 0.457 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 549691277 AWMYIZLOEHVGHR-AWEZNQCLSA-N 448.615 0.763 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CCSC)c2nnc3ccccn23)C1=O 550230335 ASIUWPSZBHVNCD-GJZGRUSLSA-N 430.534 0.885 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 551193885 WNVNSRQIPQPRJY-UHFFFAOYSA-N 436.472 0.617 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 555945798 ODXYFFAVOJOMPS-UHFFFAOYSA-N 439.402 0.292 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)CC2)c1C#N 556070122 IENPQYSFPXWGAD-LJQANCHMSA-N 441.511 0.807 30 20 ICED Cc1c(I)cn(CC(=O)NCC(=O)NC(C)(C)C)c(=O)c1C#N 578871387 MYANFQZUTQOTNH-UHFFFAOYSA-N 430.246 0.664 30 20 ICED N#CCNC(=O)CNC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 581890602 YSTWWSUHKUDACX-UHFFFAOYSA-N 427.442 0.911 30 20 ICED N#Cc1cccc(C(=O)NCCN(CCN2CCOCC2)C(=O)c2cccc(C#N)n2)n1 589846979 IFLXEWTXWZSNFP-UHFFFAOYSA-N 433.472 0.424 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccc(OC)cc1 603552710 UXYCPOGFTQUIOV-UHFFFAOYSA-N 437.525 0.729 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cscn2)c1=O 609564040 TTYMCMQEXDMNSE-UHFFFAOYSA-N 436.584 0.481 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCO2 609765482 ZZJGPWFQQOFWEH-UHFFFAOYSA-N 432.461 0.804 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1CC(N)=O 609822693 VDAYJYYNBMRWNY-UHFFFAOYSA-N 448.932 0.476 30 20 ICED C[C@@H](C#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 609840274 CPSBTTNCBHYKSI-LBPRGKRZSA-N 428.898 0.917 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)cc1 609956247 SNZZQEARKINSQM-OAHLLOKOSA-N 446.533 0.710 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727814879 OEFDCUQYRPIQAM-UHFFFAOYSA-N 427.555 0.975 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O 729673235 JUYVXVNHYJQWSU-UHFFFAOYSA-N 437.568 0.130 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(CC)c3)c2=O)c1 732563756 CZLKERDJSYGFHN-UHFFFAOYSA-N 447.520 0.362 30 20 ICED O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)C#Cc4ccccc4)CC3)cc2N1 747386091 IPJHGGCRNOPZOZ-UHFFFAOYSA-N 425.466 0.902 30 20 ICED C#CCOCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 756304028 DBYPVCCIBAPCJM-UHFFFAOYSA-N 444.893 0.883 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758053578 VKHOYKUBSBTEPI-UHFFFAOYSA-N 435.553 0.958 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)c(F)c2)c1=O 758056467 VLPKKRNHCWHREN-LBPRGKRZSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OCCOC)cc2)c1=O 758058769 NQUJHXHZYGULJE-UHFFFAOYSA-N 439.537 0.988 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccnn2C)c1 762700397 YYRUPCDPLMKDCN-HAVVHWLPSA-N 432.506 0.530 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[C@H](C#N)C(=O)NC3CC3)CC2)cc1 766255630 XTOOGKTXADBOLQ-SFHVURJKSA-N 446.529 0.596 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(CCCCCC)c(=O)nc1O 769638815 NHNKIICQLHOOON-CQSZACIVSA-N 433.552 0.893 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCOC 772277336 HRXMZLOGUDFXSG-UHFFFAOYSA-N 445.541 0.529 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(=O)N(C)C)c2=O)cn1 772304118 SEEOEDCCIFVITM-UHFFFAOYSA-N 439.541 0.947 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)cc1 777173489 CPHSCRAYVOJOTM-UBJVEFMGSA-N 445.505 0.503 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 783473535 CSFDDQXVJUQWJB-GOSISDBHSA-N 431.514 0.900 30 20 ICED C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785205497 MCNZTOXHVFTQPC-COZWDZLBSA-N 442.563 0.663 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)[nH]3)CC2)cc1 786093655 ZQZODVLKQMYCFL-UHFFFAOYSA-N 444.469 0.779 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)CN(C)S(C)(=O)=O 786616628 MREQDFLJUCFFLN-ZFWWWQNUSA-N 445.563 0.963 30 20 ICED COc1cc(F)ccc1N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787786527 AADCVMNHZZVALA-UHFFFAOYSA-N 426.452 0.978 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n1 789325353 CRAIEBFCDSLCGO-JOCHJYFZSA-N 438.488 0.845 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cccc(C(=O)NCCOC)c2)c1 795306455 OIHYEKMAMVHWHS-UHFFFAOYSA-N 429.498 0.985 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)[C@H]1CCCO1 803453809 TXNZZIJTMZEOPF-VQTJNVASSA-N 447.557 0.862 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838818198 UULGIIOTPLPFMZ-UHFFFAOYSA-N 437.525 0.597 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 917769196 VUVSSRGKFSUIHF-UHFFFAOYSA-N 427.482 0.410 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H](C)c1ccccc1 917795002 PPTLCLSYJGQXSH-HNNXBMFYSA-N 437.525 0.518 30 20 ICED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1122707726 NBJKKDVBYOTQHO-RBSFLKMASA-N 433.486 0.768 30 20 ICED N#Cc1cc(F)ccc1N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 1460640406 SZRPEVUAKZNYSN-UHFFFAOYSA-N 425.464 1.000 30 20 ICED CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1510341767 WWANKKGFECOSIA-DNVCBOLYSA-N 440.545 0.733 30 20 ICED CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515058941 SQMDITTYMCPYSC-QGZVFWFLSA-N 425.493 0.684 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCOC2)C1 1519564111 QSZXPMMHZLSNAT-RLFYNMQTSA-N 442.517 0.480 30 20 ICED Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1543107290 JWDQFVABMGFPCF-MEBBXXQBSA-N 428.519 0.733 30 20 ICED CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1547255699 OKMMKOXLDDFCOS-QGZVFWFLSA-N 439.524 0.707 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1643404169 VRVPBGZREHMVAE-YOEHRIQHSA-N 442.451 0.400 30 20 ICED CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC12COC2 1644411798 JOVKVPSPJORSCW-SJORKVTESA-N 432.546 0.968 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOC1=O 1692785800 RJRRIOHANQQTTG-WBMJQRKESA-N 429.478 0.173 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1696964241 XKCJVUJGAGLKSJ-QFBILLFUSA-N 439.520 0.489 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCC2)C1 1731013178 XWUZBNBHBVKAKL-INIZCTEOSA-N 438.554 0.656 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CCO1 1750387472 UZEYLBPPSOXTHZ-HOCLYGCPSA-N 436.538 0.358 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c1 1780167834 AHZTWRXLCGEBQR-NRFANRHFSA-N 425.445 0.945 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1CCN(C)CC1 1781093607 PIMYFQKFURNFPN-YKSBVNFPSA-N 446.592 0.151 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)CC2)CC1 1781109287 MOLIEKMLRDTUQB-PCCDRTMGSA-N 446.596 0.068 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(C#N)c1 1781173264 AXGKEKBXAKJPIF-XMSQKQJNSA-N 426.473 0.218 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2OCCC3)C1 1781256978 RQFLYXHHUAXHLD-AQOAWAETSA-N 430.505 0.831 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013871 TXNBJYQEPYMOKJ-QVKFZJNVSA-N 437.493 0.502 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1783053109 NXXZIOADTNLYFQ-HSZRJFAPSA-N 437.496 0.545 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccccc3C#N)C2)n1 1783131691 GASQFZRILNNCMM-XMSQKQJNSA-N 438.488 0.893 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1OC 1783556602 SOFHZYIXNRGMKI-HXUWFJFHSA-N 436.848 0.889 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1784011666 RKPAWLLVRXZSAT-SODVOOIJSA-N 441.528 0.442 30 20 ICED Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784726130 LASAWZLDZPPLEP-OHEPNUSDSA-N 433.509 0.851 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786842537 GTMGJXKJIUFAED-SNRMKQJTSA-N 440.504 0.000 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1788630295 YVEVZKCSKWTSCC-UFYCRDLUSA-N 427.501 0.612 30 20 ICED 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(Cl)c1 1790229986 UGTMMUZJSVBUJR-PLYYQAHHSA-N 447.923 0.398 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(Br)nn4c3)C[C@@H]21 1790790463 AOQOFPMULOWZPW-IHRRRGAJSA-N 432.278 0.718 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cn1 1795410151 NOLATFCVTGHVSQ-SCAQPMJSSA-N 432.502 0.133 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccccc2C(=O)OCCO)C3)CC1 1795412054 DZYWMQMDYKXOFS-JLVBRIDZSA-N 427.457 0.343 30 20 ICED 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)S)C2 1796395053 QCEXLBABQLHNFD-NIFZNCRKSA-N 431.555 0.434 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796422009 FHBAQZGVLXDXCQ-QZLJAVCYSA-N 438.550 0.361 30 20 ICED COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797808953 SYSLFEFQFIINIH-OZHCATNZSA-N 432.477 0.822 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1797812270 PHPJCRTXBJDJCZ-OZHCATNZSA-N 431.493 0.562 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=N/N3CCCCC3)CC2)CC1 1798431012 BQRMDNLPDGIYCX-IPOQYULWSA-N 430.597 0.876 30 20 ICED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2Cl)CC1 1798589984 WXONZOGJSZYXQG-UPHUGPLXSA-N 445.951 0.662 30 20 ICED C#CC(=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 1800452384 INGZKEAJAQBEBN-VRJGGCKTSA-N 435.521 0.217 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802914867 QVFUVDNDHWLMIP-IXDOHACOSA-N 448.520 0.868 30 20 ICED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)C3)c(=O)nc1O 1804093433 HIVRFYIRYIVLST-TYFHCLOLSA-N 447.492 0.425 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnnn1C)C2 1804373161 KLSUTDMYQIVFHK-FZKCQIBNSA-N 430.509 0.984 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1808596510 JRKLIQSWDJFSNI-MGPUTAFESA-N 436.424 0.671 30 20 ICED CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C1)C(=O)O 1809833877 MEPSUEBOMOACNP-DYOCJSEISA-N 438.525 0.809 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1813097866 ZHTFDLTUGKQXMO-UKPHBRMFSA-N 440.422 0.804 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1826647420 YNUVLRZOJYVERN-SWLSCSKDSA-N 441.517 0.829 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830005239 GOEMWMLJWLUIRB-AUSIDOKSSA-N 437.581 0.748 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1831392974 SDHGYUQSVIZIQE-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1831413073 MEJYBEXNVNXMRI-UTKZUKDTSA-N 442.509 0.987 30 20 ICED CCOc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1833952529 STBBEXQHXKWWJO-UHFFFAOYSA-N 429.477 0.149 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1834248598 DOANFZHDWBWGLR-NRFANRHFSA-N 427.436 0.815 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526527 VZQGYNZCGYKMAI-JOCHJYFZSA-N 439.472 0.539 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836781748 WRHQFTQBPXNEAV-ZHRRBRCNSA-N 445.520 0.299 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837287219 ORNPEDKPTKIIEU-VIRVFLBCSA-N 427.505 0.297 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1837311691 KSTGASFXQYNKLL-KXBFYZLASA-N 447.454 0.890 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1837392592 FJBOHQPLOBSLEN-VGSWGCGISA-N 433.505 0.028 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1837392827 HWJFMTDOTVQECV-FDDCHVKYSA-N 447.532 0.662 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565544 VWZXOOKHUWLNCU-INTRFENPSA-N 432.477 0.195 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659171 SNFUPAAHKNFONE-HSZRJFAPSA-N 444.532 0.547 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837701126 CZRPPZXQFBKJNZ-SBUREZEXSA-N 440.500 0.513 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cccs3)on1)CCO2 1837985843 SCDGOVIGPDYRAY-HXUWFJFHSA-N 445.453 0.561 30 20 ICED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403648 CFHJHDRAEWRWPL-VQYZLWMVSA-N 438.525 0.650 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1838542273 FHBSPAOVQNKEQX-FQEVSTJZSA-N 431.449 0.644 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839652629 OTLXXVBUOAVUFU-OAQYLSRUSA-N 438.594 0.695 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920152 FTHQIJXCYIBIKT-IUODEOHRSA-N 427.712 0.851 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1840018386 IWIJBMNGDUELMH-IMRHEYAYSA-N 447.532 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1840042849 QLWLHYXOMYXOIJ-JOCHJYFZSA-N 438.440 0.030 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043856 XZAJMRMQZXTFAJ-FQEVSTJZSA-N 449.391 0.200 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103448 BMXAUJVEHXYDOU-UYAOXDASSA-N 427.567 0.410 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1840819149 RVLQQVWMCYJFFD-NRFANRHFSA-N 426.429 0.695 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1840820794 JYVZCQQCSQYBOX-XMSQKQJNSA-N 429.473 0.430 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1840913223 RJASUCTUWPCHSF-DBHNTLKXSA-N 433.505 0.474 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812722 HBQKQESNQNRSLM-OAHLLOKOSA-N 449.556 0.650 30 20 ICED CCn1c(-n2nc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2C)cccc1=O 1843134151 PWJPTIQRKYNIQP-UHFFFAOYSA-N 437.456 0.267 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4sccc4c3=O)CC2)cc1 10452099 GHJUCVWSORECJF-UHFFFAOYSA-N 443.510 0.863 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 21616206 KPSTZTZDDVKDCK-NSHDSACASA-N 427.486 0.926 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 62197112 ZSZIMRULXJHTTQ-UHFFFAOYSA-N 442.501 0.160 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)NC)CC2)cc1 436507012 XZPCWUYXNJVGDM-UHFFFAOYSA-N 431.540 0.107 30 20 ICED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(CCC#N)CCCN(C)C 438757595 PPYBLXPSEIOODE-UHFFFAOYSA-N 439.538 0.578 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC1 440346847 XXKBYQCAQZBMHP-LBPRGKRZSA-N 433.465 1.246 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 440759098 BNJIMWSHOHDURW-RWQQGDIJSA-N 447.513 0.984 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 460609044 MWNIWMZIUQWAQH-UHFFFAOYSA-N 449.496 1.432 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 463652602 JGEYUESEZYTFTH-UHFFFAOYSA-N 446.511 0.777 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 464857415 SNBKADFPECUVQW-WMZOPIPTSA-N 446.577 0.817 30 20 ICED COC(=O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 475310171 MWPGJIQWKYEZHL-UHFFFAOYSA-N 442.476 0.245 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1=O 488044124 OZERHDVUBIHQMG-UHFFFAOYSA-N 428.445 0.853 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(F)(F)F 507071357 UTFBKXUPFONPMN-NSHDSACASA-N 437.444 0.992 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C(=O)OC 511301950 CDZQPYPAHRZUIO-HOTGVXAUSA-N 437.474 0.445 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)c3ccccc3C2=O)c1 516519439 ODFWCTGMYICPRI-UHFFFAOYSA-N 426.454 0.639 30 20 ICED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 518023826 SOFZBLYQGIRSOG-UHFFFAOYSA-N 425.511 0.045 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C)o3)c2=O)cn1 522389403 HWALYOGHYRTEBQ-UHFFFAOYSA-N 439.497 0.379 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CCOCC 532362473 NESLVXGZHPKEDQ-UHFFFAOYSA-N 449.536 0.937 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CC(N)=O 533498982 MFCANHOVJNOTMM-UHFFFAOYSA-N 445.504 0.262 30 20 ICED C=CCNC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 537497281 RWUYYMPWPFNIRF-UHFFFAOYSA-N 437.412 0.462 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 542012824 KXSDJBDMBHUICE-JTQLQIEISA-N 434.499 0.869 30 20 ICED N#Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)n1 545488647 AIERWPIWEHUVSH-UHFFFAOYSA-N 430.490 0.265 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1 546599973 SXYRKEVZARHPJN-UHFFFAOYSA-N 435.444 1.123 30 20 ICED CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 557356485 XMJCNEYSIMAKOW-UHFFFAOYSA-N 446.533 1.451 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 559545329 WZHMGKKSAFAQIC-UHFFFAOYSA-N 444.429 0.333 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560052637 NVFHEKDEWDPVCM-UHFFFAOYSA-N 435.488 0.781 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 569466965 OSJQUSNRIYMEBR-OAHLLOKOSA-N 437.460 0.175 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 574827803 TYXGPPPSWBVFKL-UHFFFAOYSA-N 435.488 0.150 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4C)CC2)c1C#N 578990365 KAMVZZUJNDSRNM-UHFFFAOYSA-N 437.460 0.243 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)c1 581266147 KDQGKPGVWOLZBH-UHFFFAOYSA-N 427.486 0.192 30 20 ICED CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)n1 591613944 BYARROYUYHTVSD-CQSZACIVSA-N 441.531 0.884 30 20 ICED Cc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609986210 ZPHWCOFLWGGTPV-UHFFFAOYSA-N 432.484 0.770 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 610378962 BBOWHBGLXYGURW-UHFFFAOYSA-N 447.439 0.209 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 611616851 QIYIIFDZYOMQTG-UHFFFAOYSA-N 426.454 0.566 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 619649194 CUFMFFZKKQCGKW-QGZVFWFLSA-N 442.607 0.876 30 20 ICED N#CCCn1cc(C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c2ccccc21 680942170 OITXZOPPUPECEY-UHFFFAOYSA-N 437.500 0.741 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)c1 726581752 HORMKFKHVKAEGP-UHFFFAOYSA-N 431.473 0.835 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC(F)F)c2)c1=O 727164145 LRLMCMVMROADHK-UHFFFAOYSA-N 440.453 0.087 30 20 ICED Cn1cc(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1C(N)=O 733675884 IXXALABRZJITLJ-UHFFFAOYSA-N 431.474 0.656 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)c1 734354210 ASKQHIKTIWVTBP-UHFFFAOYSA-N 431.518 0.499 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1 735477781 FMFHKIHKLDNGJM-SFHVURJKSA-N 441.557 0.934 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739833968 XZEMJCMQLSCAOA-UHFFFAOYSA-N 436.877 0.757 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccs2)c1 746888564 YBLPHJMWXWDMSC-UHFFFAOYSA-N 427.529 0.368 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1=O 746971861 JSEPLBNUMCTEQV-UHFFFAOYSA-N 447.404 0.950 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(C#N)cs2)c1=O 758084186 QEPLPMSDVPUGOQ-UHFFFAOYSA-N 426.523 0.522 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 758641520 BPULJZJZOMRIBQ-SMDDNHRTSA-N 430.508 0.371 30 20 ICED C=CCn1c(-c2cnccn2)nn(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1=S 764900980 LRFAUNKUPXRELR-UHFFFAOYSA-N 428.522 0.437 30 20 ICED CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)C 772534041 KTZRXKZBASODSG-PFRBSUFTSA-N 437.522 0.325 30 20 ICED COc1ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 776139120 PVCCFRYFAAIVKL-UHFFFAOYSA-N 445.519 0.325 30 20 ICED COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2cn(Cc3cccnc3)nn2)NC(=S)N1 783937451 GOCFGKJSEZJGMO-INIZCTEOSA-N 435.469 0.945 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786335200 FPPGZPJLSAIVIN-UHFFFAOYSA-N 448.549 0.955 30 20 ICED COC(=O)NCCc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 788046456 GPCBPIINEAXPTK-PFONDFGASA-N 428.492 0.451 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cnc(NC(=O)OC(C)(C)C)s2)c(=O)n(C)c1=O 799882918 IZOXSIUAVIPGKB-UHFFFAOYSA-N 444.495 0.200 30 20 ICED COC(=O)c1ccccc1N(C)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 800764638 SKIDXXNPBIRQAY-UHFFFAOYSA-N 445.453 0.829 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](N1CCOCC1)C(F)(F)F 803595734 LZXCCFKKSZATMT-AWEZNQCLSA-N 434.440 0.495 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 804727055 WDRSREJNWCXCSW-UHFFFAOYSA-N 439.495 0.822 30 20 ICED CN1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C2)C1 815746244 BZFQYFRILSFDEQ-XIBJSWNYSA-N 447.561 0.992 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccccn2)CC1 913555799 FRORSOCNZWVZNL-UHFFFAOYSA-N 427.486 0.495 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)OC)CC2)cc1 920206687 GVRGJEGVNIESIL-UHFFFAOYSA-N 438.506 0.779 30 20 ICED CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294257498 NTBOQWLHKNJOGA-HNNXBMFYSA-N 449.585 0.929 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1297866109 UKIYBFZHQWLNTP-UHFFFAOYSA-N 437.503 0.943 30 20 ICED Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1304483997 YREWNCPCEPHXQC-DOTOQJQBSA-N 433.538 0.953 30 20 ICED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542393089 ZFBROILJXRPKIP-ROUUACIJSA-N 446.533 0.697 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1552385101 ZZTPXMLWGOPBQV-YJBOKZPZSA-N 448.549 0.996 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1611687252 UUBFXWSIAPNTNG-IAOVAPTHSA-N 445.590 0.768 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1619598619 PGUKHTNIYJMBHF-RTBURBONSA-N 428.493 0.819 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1637929518 YXMDDBYDFHDBIV-PBHICJAKSA-N 430.486 0.906 30 20 ICED N#Cc1cn(CCC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c(=O)nc1O 1639516756 SEUMTCWDDUUHEG-ZDUSSCGKSA-N 435.362 0.847 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)c(NS(=O)(=O)C(F)F)c1 1656511175 HKIJBSGULQGKJJ-UHFFFAOYSA-N 438.478 0.879 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1697698915 RDRSNAIGUFCYQV-QZTJIDSGSA-N 448.549 0.854 30 20 ICED CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741645892 UKZWBGOXTCBQAM-MRXNPFEDSA-N 437.570 0.828 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSC(F)(F)F 1741944488 MVXHFCPQUMCZSL-NXEZZACHSA-N 428.462 0.870 30 20 ICED CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1766074570 OJVJCOWVKSAZEK-PMPSAXMXSA-N 425.559 0.349 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1770752137 RMLBLCRZGDMVOT-GOSISDBHSA-N 446.533 0.664 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1778882457 IWDZJOTZWZVCAD-VLIAUNLRSA-N 427.465 0.025 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779555420 VVKTXSZXHRHOMN-MBOZVWFJSA-N 427.567 0.571 30 20 ICED CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1779831807 NAIWTIICVCVUSP-VQHJOYQZSA-N 433.509 0.955 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058271 UIBYAYZUEJOEPU-HXUWFJFHSA-N 429.502 0.452 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781087761 IOERJJQQKSLUOF-DVECYGJZSA-N 439.560 0.567 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)CC2)CC1 1781109076 LAERUTYHGAIAJZ-VCOZGABYSA-N 443.548 0.308 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)ccc1F 1781300693 ZHBWIMAIYAVLLE-WIYYLYMNSA-N 449.504 0.647 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1781395873 LIEAOQJRBHALSM-WIYYLYMNSA-N 435.569 0.397 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192901 YDNHMYBMHPANNY-JOCHJYFZSA-N 438.488 0.746 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195304 ZQWMQYVWTRMNRF-QFIPXVFZSA-N 449.471 0.934 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1782641698 MTWPBSVMGFSKEO-QFIPXVFZSA-N 443.573 0.805 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1783928189 FOPXDFPPHJPVLD-FGZHOGPDSA-N 429.473 0.926 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)C1 1786857242 DEGRGJLUDYCAQD-PJVZLEMVSA-N 448.564 0.837 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c1Cl 1786890498 VEFYCKRWCNIISY-LLLHUVSDSA-N 447.923 0.398 30 20 ICED 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CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 444523220 YYKVTXRNYYMFPA-ZDUSSCGKSA-N 428.415 1.385 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 460391021 UIXQMKUZPHAHOS-HRCADAONSA-N 442.586 0.832 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)cn1 460618638 MKZNYBVFTQAPTN-UHFFFAOYSA-N 435.419 0.692 30 20 ICED C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H](C(N)=O)O1 470026397 BCRWPAMNMQAYBI-SPYBWZPUSA-N 429.521 0.931 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472250301 NQZRMVFXAOXTBC-OAHLLOKOSA-N 428.584 0.310 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1C 472874689 MFROBMQGHABYGW-UHFFFAOYSA-N 427.465 0.403 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)nc1 476985267 CFHXWNCUQXJVKD-QGZVFWFLSA-N 436.538 0.273 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 477060490 PDQQNBWUFUHPHB-UHFFFAOYSA-N 434.547 0.647 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)S1=O 484705928 REXSJBKSTCRKFR-HZPDHXFCSA-N 438.575 0.232 30 20 ICED COC(=O)CCN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 487178082 FZIBOXFKGFGHPV-APWZRJJASA-N 427.505 0.938 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 491035068 LHKSUYPUFPMXKB-UHFFFAOYSA-N 441.532 0.616 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)cc1 494456400 XMXDXSHTKDREIF-SFHVURJKSA-N 426.477 0.677 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2C2CC2)CC1 514521325 GSDPYNANVCQDLS-UHFFFAOYSA-N 429.571 0.677 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 516329776 PEDIYNNKPPFXNN-IAGOWNOFSA-N 442.559 0.959 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 521698683 WEGKPUQTNJIZFB-UHFFFAOYSA-N 448.526 0.676 30 20 ICED CC[C@@](C)(C#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 523354868 VJOMEFUQARIBMI-QFIPXVFZSA-N 438.488 0.863 30 20 ICED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 523563984 YHOSUIFJKVYVMT-OAHLLOKOSA-N 434.503 0.332 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 547268414 MLAXPUODIMOVML-DZGCQCFKSA-N 446.489 0.467 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(COC)cc(C(=O)OC)c2)CC1 550864241 HFYOEZDVQKMLMF-UHFFFAOYSA-N 432.477 0.005 30 20 ICED Cc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1S(=O)(=O)NCC#N 557663339 HOSRHGGGRKJHQU-AYHJJNSGSA-N 447.561 0.610 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 568665015 AXAFGHAWCLNVQO-UHFFFAOYSA-N 427.548 0.362 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2OC)c1=O 603793089 KBBGAGALFRGHHZ-UHFFFAOYSA-N 443.525 0.769 30 20 ICED Cc1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609969999 JJEZZXRCFWTYKA-UHFFFAOYSA-N 433.472 0.606 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 613245826 NPDODHHGBAMEHS-SFHVURJKSA-N 435.550 0.359 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C#N)cn1CCOC 614215623 LUERGIDYWNNRFI-AWEZNQCLSA-N 441.510 0.728 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2sc(NC(C)=O)nc2C)c1C#N 615128600 ILLZPIMUIQOIDT-UHFFFAOYSA-N 439.523 0.885 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)C2=O)cc1 617091919 XQFMCNGVXMJYCB-MOPGFXCFSA-N 436.472 0.790 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 726168490 OGVNBOXHQLBMGH-OAQYLSRUSA-N 440.481 0.583 30 20 ICED CCCCN(C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727008216 MRVRPDKUWYPTGK-KRWDZBQOSA-N 435.502 0.647 30 20 ICED CCCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727012031 DXBGSLHLNRXOIE-PBHICJAKSA-N 435.502 0.645 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O 729673394 NEDRGPXCODHRJH-UHFFFAOYSA-N 433.555 0.292 30 20 ICED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 730390705 XZVYPGVNXUBSRS-QJIFYWSCSA-N 435.506 0.175 30 20 ICED C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 741830446 INLWAQQCFUBGIC-ZDUSSCGKSA-N 431.474 0.608 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 744862938 NVJPKRLADPSYRD-RMHUIEEYSA-N 442.472 0.733 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 752380739 BTJIOQRRHNEMPH-UHFFFAOYSA-N 430.465 0.345 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 762945634 UMGXYNVJZLGAEJ-LBPRGKRZSA-N 430.442 0.506 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 763459195 XYAJPTMCCHVZRG-UHFFFAOYSA-N 441.513 0.330 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)CC1 768436090 XTCFIMUOKQSESD-UHFFFAOYSA-N 446.533 0.554 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)c1 769680516 XQKJVXQTYAECLN-QGZVFWFLSA-N 448.541 0.842 30 20 ICED CC1CC(C#N)(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 773650940 OELJDFXTHAVMIQ-UHFFFAOYSA-N 429.520 0.847 30 20 ICED C=CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC)C(C)C 783394581 MDAFNTYDTYWXSG-UHFFFAOYSA-N 438.550 0.993 30 20 ICED CNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 784428238 PTUUUCANDBDHIB-PGMHBOJBSA-N 445.567 0.950 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 787254934 BFYMFOZXDUVFMZ-UHFFFAOYSA-N 432.488 0.741 30 20 ICED CN1C[C@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C[C@H]2C1 787598188 KNGYBAPYUNWZSK-KCWIRBQFSA-N 433.534 0.458 30 20 ICED C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCN(c2ccccc2)CC1 787778258 OCGWLBPOWJQGID-SFHVURJKSA-N 435.532 0.808 30 20 ICED COC(=O)[C@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(C#N)cc1 789121088 XASCKVKFEDDGFO-FOIQADDNSA-N 429.429 0.931 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc[nH]n1 789960738 SZDCVHGVLFZESN-UHFFFAOYSA-N 429.433 0.805 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 792658342 LODXVGVXVJJBJU-KRWDZBQOSA-N 437.481 0.514 30 20 ICED C[C@@](O)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC1 812671618 CTEHPLCEOHESGK-FQEVSTJZSA-N 435.502 0.485 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 838243188 PALHNRGXLBTUIG-HNNXBMFYSA-N 437.525 0.670 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1Cl 1307599442 LTBCNLKUEFVVCU-IRXDYDNUSA-N 426.926 0.316 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1554358831 USENEVILKCGITH-HTAPYJJXSA-N 439.520 0.497 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1557540009 SDUGPJFTTTWGEP-BPLDGKMQSA-N 442.563 0.480 30 20 ICED C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 1565487822 JAYOEULUMWDFGF-QGZVFWFLSA-N 434.566 0.210 30 20 ICED N#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1655039858 SSKVIXVHFBZLSB-QGZVFWFLSA-N 448.545 0.916 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1692676778 UIERJRSMJSCHSR-VTJXTGGHSA-N 428.493 0.969 30 20 ICED Cc1cnn(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1724978147 XOYQJTCEIRRJIH-QGZVFWFLSA-N 448.553 0.556 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749268897 ITXSGSKTBZHGOQ-GFCCVEGCSA-N 437.975 0.451 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCO1 1767707891 NNISURUNNDCIBR-MRXNPFEDSA-N 425.493 0.540 30 20 ICED COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101148 HZAFYYZAQLHFFW-WGAVVDLZSA-N 436.465 0.794 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102489 YXLOITMXYNOFKB-ZIOGSSNASA-N 433.465 0.458 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779416820 ZPGFDFZIMQBBRM-TWRVUUBYSA-N 435.565 0.919 30 20 ICED COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194067 BCNXKNXOHDXNTM-OAQYLSRUSA-N 427.461 0.541 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21 1783531605 MIZFUBVQRWRVPY-BQYGTXGQSA-N 433.896 0.582 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377727 QUSCSKXYUYMVFJ-NRFANRHFSA-N 429.477 0.038 30 20 ICED CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)CC1 1786860674 PPMQJJZAGPHSKO-UFYCRDLUSA-N 433.597 0.980 30 20 ICED CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788489637 IKUZMVZHHZBRSP-IUDWETPCSA-N 443.566 0.654 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790390557 SZFOFXMKARMFFC-IEZWGBDMSA-N 430.505 0.932 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832035 IILWMOBCVLNGJA-RMFSNUHRSA-N 443.573 0.564 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794439765 GKJONDIUDMQVGH-UGNRZPKXSA-N 444.532 0.713 30 20 ICED Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796501867 ROHKESVRZKETJN-ZSBFGKGUSA-N 440.481 0.805 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)n1 1796593372 OGGAFRINCVDHRT-HATOLVCRSA-N 437.500 0.847 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1797648331 LYJORMRIBYLMMV-CLWJZODNSA-N 441.532 0.988 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797710015 FPGCWGZBDBFJAU-DACLVMHWSA-N 431.489 0.629 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800243227 KBWQKFVKGZOCGV-KBMWQNTOSA-N 426.517 0.011 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800784541 LOSVPHOAEGYGOG-BASYENTBSA-N 435.477 0.064 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12 1800877039 UVSSZFBSFMFOCC-ZYKCCNLVSA-N 440.460 0.751 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1 1801267401 FDKWTNJEAHFGGE-DWZBEISPSA-N 433.465 0.728 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1803552691 IJYKZWDIGNNYSM-QLVMHMETSA-N 439.472 0.700 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)N2CCCC2)[C@@H]1c1cccnc1 1804152771 IZMSBTAGRJMSGA-JTSKRJEESA-N 426.473 0.578 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812532472 RBIFISDJYOIIPC-DENIHFKCSA-N 433.505 0.417 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817292122 CCXLVEBZGDMUSD-HNNXBMFYSA-N 429.529 0.524 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812939 LKZXTIOEFWEWLD-FZMZJTMJSA-N 441.452 0.433 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1824486841 AFKRHTJBSVQOCW-VQIMIIECSA-N 441.532 0.898 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899649 AUTSMTPZBBJDGT-DLBZAZTESA-N 434.537 0.731 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)C 1831095793 MNTCTVXLHDEYIX-XMSQKQJNSA-N 445.520 0.507 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1831394079 VXKZGBWFNAAVDN-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831402791 RMOGRGIEFKHRSK-KSFYIVLOSA-N 434.464 0.426 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831437324 BSTUHZFXGDFTTF-YVHKJVDXSA-N 432.521 0.562 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831487826 SCZBEQLHJDXSLK-UEXGIBASSA-N 436.578 0.362 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832456124 JUHRXFFOXQDGAC-LVZGSSTFSA-N 441.550 0.891 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833557340 MAQKQZHHEXVZOF-IBGZPJMESA-N 441.868 0.907 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833864190 BMNAQXMPQDLPBE-ZJHLSYPMSA-N 445.476 0.211 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833865235 NFJXGKNXLDSHDS-HRAATJIYSA-N 436.509 0.072 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CSC4=S)CC3)CC2)CC1 1834603186 JZKQZSKXLHPWJZ-UHFFFAOYSA-N 449.602 0.722 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605215 ILTJLWWHNQGORO-HSZRJFAPSA-N 444.484 0.408 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1)CCO2 1834990594 QIAOQLGPEKPNPD-AXKGWLQCSA-N 427.501 0.544 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)c(C#N)c1 1835388605 YGIZFQOTZCBYBD-QHCPKHFHSA-N 444.532 0.517 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835682808 WBQCJBPFDSCJAE-QSNWEANLSA-N 434.537 0.292 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836172637 ZGQDIIDUUNWZLT-NRFANRHFSA-N 427.436 0.664 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1836199598 QXZAVUMVQDQYAM-QHCPKHFHSA-N 444.532 0.347 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837333121 SEGIKVSMLIHMCS-KBXCAEBGSA-N 428.580 0.726 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837399627 YCLPEGALOADUGN-XXBNENTESA-N 442.516 0.977 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531433 MRDBNTSFNPYEMG-WGAVVDLZSA-N 435.481 0.317 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564317 HJCYJDXSJHUGLX-UNAUUNTCSA-N 444.492 0.083 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837737721 DCFIMXHXRXLFOH-JBYIUTFZSA-N 432.521 0.930 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839352138 WLKBANQCNJRSFD-ZHRRBRCNSA-N 446.504 0.656 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1839451625 GOZIREDVBWIPES-HSZRJFAPSA-N 440.500 0.559 30 20 ICED COc1cc(C)c(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839465089 AWHZCJCLKHUYPR-QFIPXVFZSA-N 430.457 0.470 30 20 ICED Cc1ccc2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)sc2c1 1840041386 KCINPLCPTPXXOH-OAQYLSRUSA-N 443.481 0.763 30 20 ICED O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840191954 CNUIGCSECBROFJ-OAQYLSRUSA-N 432.498 0.312 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840405674 ZOBKFAQLZAHYLZ-KKSFZXQISA-N 426.477 0.723 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840588972 VXARIXKSZIRKPG-TZWBQFSNSA-N 436.553 0.731 30 20 ICED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)n(C)n1 1846195524 AHWNNCSJJBGDSN-UHFFFAOYSA-N 445.476 0.696 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847239294 HHDFLODIKWOESR-WMUXEFRJSA-N 449.504 0.284 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCO1 410136028 UATXENYYRKRVLQ-UONOGXRCSA-N 434.396 0.749 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 431703945 TVNJFIKYDNKPSA-UHFFFAOYSA-N 430.490 0.508 30 20 ICED CC(C)N1C(=O)C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 434391937 WMVWXBXXWPZRQF-KRWDZBQOSA-N 432.502 0.611 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 435144346 DQHHZOPIJGYBFC-IYBDPMFKSA-N 425.493 0.954 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 436818018 UAFAPKPKPVSRRS-INIZCTEOSA-N 437.504 1.098 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437039729 NPQJVBBNXHOTPU-YJBOKZPZSA-N 437.518 0.743 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H](CC)CC#N 439561908 PHRVCJFWRMPJTD-CQSZACIVSA-N 438.506 0.853 30 20 ICED COCCCN(C(=O)c1cnn(C)c1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 475016575 LUMQYUZMDQZFKX-UHFFFAOYSA-N 437.460 0.868 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477223549 SCYWXDXNVJTHAR-ZDUSSCGKSA-N 432.433 0.292 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccnn3CC)c2=O)cn1 489045095 SATCWAIWMPLIBW-CQSZACIVSA-N 438.513 0.440 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 491233809 CSTAJNVNEUVTMO-UHFFFAOYSA-N 445.520 0.172 30 20 ICED CN(CCCNC(=O)CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)S(C)(=O)=O 492791063 RBEFXUCYRUQVMZ-UHFFFAOYSA-N 441.453 0.748 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504178469 YOLPWGKVKAPOHD-WUOIFLIFSA-N 436.468 0.722 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC[C@H]1N1CCN(C)CC1 515021752 LHFHFIWLOGBTCN-FUHWJXTLSA-N 436.520 0.562 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 527097963 IZUMBDQYEUYWPZ-UHFFFAOYSA-N 428.445 0.710 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)cn2)C[C@@H](C)O1 550153875 AZKVMNYDPPRBAN-GASCZTMLSA-N 436.472 0.918 30 20 ICED COc1c(F)cc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 552902926 SVQUMZUMWICHJC-AWEZNQCLSA-N 434.449 0.971 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556138500 SHHWZXDCTPISPW-CQSZACIVSA-N 425.283 0.411 30 20 ICED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 565263078 USCOHAQLKQDTEY-QGZVFWFLSA-N 432.525 0.107 30 20 ICED CC(C)N(CCCNC(=O)Cn1cc(Br)cc(C#N)c1=O)S(C)(=O)=O 571690552 GLYZWMSIPJHTPE-UHFFFAOYSA-N 433.328 0.659 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 572202464 RJDIFRGZLSZASD-HXUWFJFHSA-N 441.532 0.367 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 572559778 VYVIGVMMMFMNJI-CQSZACIVSA-N 427.914 0.927 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)n1 580502493 YAVJYEIHSUAYSV-UHFFFAOYSA-N 442.432 0.807 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 587980720 KTTCPRMUNMQIAH-GOSISDBHSA-N 429.521 0.600 30 20 ICED CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 588774166 BPJHOHDIUNVEBY-LJQANCHMSA-N 429.521 0.202 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 604269813 DGTLBFUMLMGIOU-UHFFFAOYSA-N 440.525 0.132 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 729281961 TYZOGEJEBHUGTO-UHFFFAOYSA-N 449.577 0.097 30 20 ICED C=CCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)[C@@H]1CCS(=O)(=O)C1 731896569 MHXDMVANYRBHRN-CHWSQXEVSA-N 435.955 0.994 30 20 ICED N#C[C@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C(=O)N1CCS(=O)(=O)CC1 732909888 IGKDOJSCNOQGNM-LLVKDONJSA-N 441.391 0.866 30 20 ICED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 736015939 XOHNKZJFVQYFHV-HNNXBMFYSA-N 446.522 0.662 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC2(CC1)OCCO2 748364125 FINIDSFPTQPGCU-UHFFFAOYSA-N 437.518 0.670 30 20 ICED C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 750559640 PUGSPALSMDCCJT-HNNXBMFYSA-N 445.501 0.472 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1cnn(CC)c1 752190828 NIFURMPAQOVDPK-UHFFFAOYSA-N 440.554 0.940 30 20 ICED CCN(C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 754279967 HDJQUOOZXSQEHT-GOSISDBHSA-N 438.550 0.191 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 755547610 AOJXCNIXPJECRV-SMDDNHRTSA-N 429.433 0.831 30 20 ICED CC#CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 762512626 SSQDYVWSSNXQNC-QQMHEVNUSA-N 434.543 0.826 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@@H]1CCCO1 773796136 KNCZDLGIGSKRAM-HIFRSBDPSA-N 428.894 0.999 30 20 ICED C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 774295963 MKJDXKWEYISWSH-NWARCBSFSA-N 434.543 0.824 30 20 ICED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784782242 BURNINPGIWHATL-JEEMYIIMSA-N 435.506 0.127 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 799666849 SPHGABUYMHZCOJ-UHFFFAOYSA-N 444.916 0.928 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC2)cn1 801286296 VCFTWVQEIOGIHA-IBGZPJMESA-N 436.472 0.772 30 20 ICED C#CCN=c1nc(N2CCC(N(C)C(C)=O)CC2)[nH]c(N2CCC(N(C)C(C)=O)CC2)n1 804378400 OVXFMDVANKVYJK-UHFFFAOYSA-N 442.568 0.233 30 20 ICED C#CCNc1nc(N[C@@H](C)[C@@H](C)N2CCOCC2)nc(N[C@H](C)[C@H](C)N2CCOCC2)n1 804432198 VFXUBQWFSROLJU-SEXKYXSUSA-N 446.600 0.959 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C 805033028 DLTQFHYHFQTBKT-ZDUSSCGKSA-N 446.489 0.332 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806610946 DSKAVVRYSHZZOK-UHFFFAOYSA-N 425.510 0.896 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 806908799 PVUUGUQLFKAQFV-UHFFFAOYSA-N 442.335 0.812 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 808328731 SHEPQHLOSRHSPM-CVEARBPZSA-N 429.543 0.083 30 20 ICED C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812083965 FBMDGASPDGHJGS-AWEZNQCLSA-N 437.547 0.543 30 20 ICED C[C@@]1(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 915069703 YVMOXRIHMUMUOT-IBGZPJMESA-N 427.442 0.418 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCN(CC)C(=O)C2=O)n1 915357866 RDAOYBVKIZMVCH-UHFFFAOYSA-N 435.535 0.429 30 20 ICED CCS(=O)(=O)NCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916694908 XAOPKUHVRISPSG-HMMYKYKNSA-N 431.540 0.560 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(O)cc1 1288861977 GKDYZFDGKSULLS-YOEHRIQHSA-N 445.549 0.819 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1301809629 OAYQORFAWOLVPZ-HZPDHXFCSA-N 442.542 0.156 30 20 ICED CC(C)CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1303004655 VXEWJWDIYFWWKH-DAYGRLMNSA-N 428.559 0.804 30 20 ICED C[C@@H](CC(=O)NC1=NS(=O)(=O)c2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1318856195 NZLHGEMEUDIIOS-NSHDSACASA-N 432.483 0.769 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1507868688 NTXGVCWRMNTQEW-ZDUSSCGKSA-N 428.946 0.927 30 20 ICED N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1521137638 RQJFRXVBRNPDDK-SFHVURJKSA-N 430.534 0.828 30 20 ICED COCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1555568989 WEZGVSQZMLMAGP-GOSISDBHSA-N 441.540 0.484 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)COC1 1611804625 WFMOAWXTRNAKAT-INIZCTEOSA-N 438.554 0.778 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620355404 JARCHSOLKZPHLA-QWHCGFSZSA-N 440.430 0.084 30 20 ICED C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1623858362 WKIXBYDBRZNKRR-CABCVRRESA-N 446.533 0.915 30 20 ICED N#Cc1ccc(CCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1653608325 UVCDYRNJXNWVJL-UHFFFAOYSA-N 434.543 0.755 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1669095864 KFDWBFOGMNJVCY-UHFFFAOYSA-N 432.495 0.969 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1706748724 XZIGGJFZLDBJOE-VKJFTORMSA-N 428.559 0.756 30 20 ICED CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1709017265 IZDVRRAFLZXSDF-ZUZCIYMTSA-N 428.519 0.792 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1761360520 OHWOGPOQBZKKHS-IKGGRYGDSA-N 430.557 0.910 30 20 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C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 1789892474 UQTARZISQHXWKG-LNLFQRSKSA-N 448.520 0.632 30 20 ICED 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)CC1 1792545171 VYXKPAUCYXSLNQ-FJIDUMEYSA-N 449.548 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794478873 VPOMWVZACPLLOA-IDZYNVOGSA-N 431.468 0.488 30 20 ICED CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1795885696 FIYMJIIEWGFKDO-OKMMXDIKSA-N 435.569 0.791 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1797709930 GAQJYMMFXWZHPS-WOUAJJJCSA-N 445.564 0.495 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818715 ZRLCGXUFRZTSIV-BMRDAVGESA-N 438.525 0.410 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800220444 TWTHALSWHNFBNO-YIYPIFLZSA-N 437.522 0.891 30 20 ICED 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0.993 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnn1 1837565020 IWGNTVBUDJPOII-TVZYQXFDSA-N 430.465 0.008 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1837664348 MISZAYFTMKPLHL-XMSQKQJNSA-N 439.553 0.586 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1837791734 BPDVZPJRICLLSJ-GOSISDBHSA-N 431.581 0.925 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1839174446 CDDNWCZUAGUZPO-JOCHJYFZSA-N 448.520 0.791 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1839422222 JKQHRALURPCHTR-OPAMFIHVSA-N 444.463 0.294 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488921 IUKQVKZMLIHCCW-XCLFUZPHSA-N 429.502 0.823 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839887948 USNHYOMUHPKECT-SFHVURJKSA-N 427.404 0.774 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009833 WUBGAGXYKYWRAP-VSDWSMLSSA-N 447.532 0.723 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163887 QZZWRWLTNVZEFX-YJYMSZOUSA-N 439.490 0.997 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4cnc[nH]4)CCO3)C2)cc1 1840340854 IGUFFQFEZZXRCS-NFOSPISASA-N 435.484 0.994 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840608545 GMOITQYLRZLIFS-QTDGGUCWSA-N 441.484 0.529 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818921 FXBVESDCXUKDHI-JOCHJYFZSA-N 430.505 0.393 30 20 ICED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1)NC(=O)OC(C)(C)C 1842910531 NZGYXLCELWITFG-INIZCTEOSA-N 448.568 0.889 30 20 ICED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1843233828 GTXQFBZCJWTBOS-UHFFFAOYSA-N 432.444 0.134 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O 24612434 OHRFRZUVGDHTKE-UHFFFAOYSA-N 435.488 0.040 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 437716158 JJKSNVGJIQEMSC-GOEBONIOSA-N 439.476 0.467 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441159851 VLYJZJNKHKZOAA-HKUYNNGSSA-N 438.532 1.447 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 464213201 GPACAUZTFKAUTB-INIZCTEOSA-N 430.486 0.448 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482393266 WGTDTWBGZPNRDN-ZDUSSCGKSA-N 448.526 0.722 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 483963299 RWBXTOUNINQGKE-IBGZPJMESA-N 440.591 0.985 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 490261822 ZDTHFVQRECRRIN-HXUWFJFHSA-N 425.533 0.778 30 20 ICED CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 494411024 HTIQBGDYTPWWCX-ROUUACIJSA-N 438.488 0.915 30 20 ICED N#Cc1cc(C#N)c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1N 494664471 JFLUSTVEJMCLCD-LSDHHAIUSA-N 435.531 0.694 30 20 ICED C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 497474536 NRKZBJYPCWQOAI-HOTGVXAUSA-N 442.545 0.989 30 20 ICED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 508474878 WFDIGGWHSUZNKH-CQSZACIVSA-N 430.538 0.946 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)OC)CC1 508840758 MSGJLPSJRPPHOY-UHFFFAOYSA-N 433.538 0.719 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509401532 HOGSUBMHMQMDFD-AWEZNQCLSA-N 445.523 0.688 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 511935008 NJOJRMQIHKDOHZ-CHWSQXEVSA-N 441.535 0.056 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2nnnn2-c2ccccc2)cc1 512061290 MIICDTKRBJWHRJ-UHFFFAOYSA-N 425.474 0.827 30 20 ICED N#CCCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 521493469 PMBJMLQYKCMGDN-UHFFFAOYSA-N 431.518 0.956 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOCC 522283519 UEXQECOBBHYDDK-UHFFFAOYSA-N 445.541 0.993 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 534289011 VEMXRZOGUYEWFH-UHFFFAOYSA-N 438.535 0.651 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 537487128 MOODLDILHPVOLX-UHFFFAOYSA-N 438.506 0.227 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549265803 LMFNKWDMRZPEDI-CHWSQXEVSA-N 438.514 0.294 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 567168943 XSSXCBLEKRAYLU-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(=O)CC(C)C)CC2)c1C#N 583233838 GJRQOAZQBXJTBI-GOSISDBHSA-N 426.525 0.746 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1S(=O)(=O)NCC#N 583952349 SWEFHZIKXPEULJ-OAHLLOKOSA-N 440.547 0.483 30 20 ICED CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123856 MJOGLUPLVWMTIF-SFTDATJTSA-N 432.613 0.886 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 588124908 OEHWTUYTJJOWDE-QGZVFWFLSA-N 425.468 0.619 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604496595 AOZYUEKGIICKGC-KRWDZBQOSA-N 442.520 0.253 30 20 ICED CCCCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611428978 QMWPKHCGHBDREH-IBGZPJMESA-N 446.621 0.991 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1 728532543 AYWINVLJALGFSF-UHFFFAOYSA-N 425.485 0.936 30 20 ICED CN(C)CCN1CCC(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733976264 MHFICOVHWDEORC-UHFFFAOYSA-N 435.594 0.895 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742143160 DPMHDLHMSTXSCK-UHFFFAOYSA-N 440.525 0.712 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O 743390248 HGIATZMYWVNMPO-UHFFFAOYSA-N 443.460 0.953 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c1=O 753790262 OHYSVJDOAHZDMM-UHFFFAOYSA-N 436.559 0.289 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758501479 RVXCPAICUBAGOJ-HZPDHXFCSA-N 436.513 0.125 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 765518158 XRYSRERIQPIDPG-RISCZKNCSA-N 432.424 0.847 30 20 ICED C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843830 PFAYMEQYJKWKDR-BBRMVZONSA-N 436.490 0.784 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 776594545 MBILLRSVXVFKMT-UHFFFAOYSA-N 434.562 0.169 30 20 ICED CCOC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 781375527 PFYJBHMQWBFNGO-PMUMKWKESA-N 437.518 0.978 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 786492082 NXZYWCJCQOHUHV-ZFWWWQNUSA-N 429.520 0.440 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 786710143 YXOMXCBGELBQEI-MRXNPFEDSA-N 429.477 0.811 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1=O 799177921 YMBOLIIBYUPCQG-JTSKRJEESA-N 427.505 0.680 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 800365162 UWCPQUXSRVZJDJ-ZIAGYGMSSA-N 427.548 0.929 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CC(C)(C)CN(C)C)c1=O 802723513 KSWBGFJJXIINBJ-UHFFFAOYSA-N 428.562 0.757 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 803593496 WLIHUXLBSIQPMH-INIZCTEOSA-N 443.504 0.267 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccncc1 805810315 GWGUUQOKYAGRCE-ROUUACIJSA-N 436.534 0.468 30 20 ICED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 838360176 VCQDASWURKCABN-UHFFFAOYSA-N 449.536 0.611 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 916892736 OYXVUCUPJGKMEJ-CQSZACIVSA-N 429.445 0.837 30 20 ICED CCN(CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 918373007 VACCFPSSOQTWAS-UHFFFAOYSA-N 430.552 0.293 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CCN(C)CC1 920397964 AOFOFVUUBULSFK-UHFFFAOYSA-N 442.589 0.556 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC(=O)N1C 1291278949 FKRNODJMRIOAMU-HNNXBMFYSA-N 437.504 0.922 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1301809799 QLQZWNWJPVRUIF-JMGYQRAPSA-N 443.595 0.848 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1302507318 WZOLVEQTAXBNQV-GOSISDBHSA-N 433.469 0.720 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2(O)CCOC2)c1 1316529011 LIKUIMBJFGWQSF-OAQYLSRUSA-N 426.477 0.439 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1318812086 RUEYBYAOMOMZAJ-GFCCVEGCSA-N 437.503 0.310 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCN2C1=O 1319087401 YDTZXDIDBZMJAM-JKSUJKDBSA-N 438.444 0.258 30 20 ICED O=C(NCC#CCNC(=O)c1n[nH]cc1Br)c1n[nH]cc1Br 1346898117 MMAYULYALKIPOK-UHFFFAOYSA-N 430.060 0.821 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1360570799 PFXYECKKDJGWSC-MDZRGWNJSA-N 439.586 0.691 30 20 ICED CNS(=O)(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1503836444 LOIAASAXDAWPKY-UHFFFAOYSA-N 432.554 0.718 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1509781961 XBRVBDFBVTUBTF-OAHLLOKOSA-N 448.505 0.730 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1513979384 LGSVUHGVGNXECO-QGZVFWFLSA-N 446.533 0.878 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1555807216 RZXULDGSWXCVII-CQSZACIVSA-N 439.519 0.122 30 20 ICED CN(C)S(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1585535513 XTXGYOOPWUJJEU-HNNXBMFYSA-N 444.355 0.554 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 1742942901 IUMAEQYORXOZMB-QKPAOTATSA-N 426.543 0.822 30 20 ICED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1749254862 IGPGPJSMOKFEFK-QGZVFWFLSA-N 441.536 0.974 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1750071453 YNRBFCIPNGSDBD-AWEZNQCLSA-N 436.567 0.710 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1765672942 SFNHENPLHCBOFJ-MRXNPFEDSA-N 441.521 0.512 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1767232734 IQBCJMLFYFDDCF-UHFFFAOYSA-N 431.522 0.713 30 20 ICED CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)NC 1767969515 MSIIWPVSKFSIFP-UHFFFAOYSA-N 447.565 0.558 30 20 ICED COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769175464 XWEZHCJLSMOOHF-GOEBONIOSA-N 439.586 0.737 30 20 ICED COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1769772624 RKSMQCATZBIADF-UHFFFAOYSA-N 441.536 0.975 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118137 VQVHSVGBCVZSKD-OXJNMPFZSA-N 427.567 0.700 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnn2CCOC)C1 1778232513 CRYICTNDBITFIA-LRXVAGHRSA-N 432.521 0.695 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779101953 VJZZIFUANQGBJI-XCKVFWMBSA-N 434.449 0.058 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938793 PFQKOWVQOZFHLB-YCRPNKLZSA-N 432.546 0.934 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781785629 XBFDJQKYROLWPU-IIBYNOLFSA-N 433.530 0.877 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1782013365 IAMFJKSVSSKNJH-XMSQKQJNSA-N 437.456 0.687 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1782198094 LCTPCFLKRIBESC-LHSJRXKWSA-N 434.460 0.731 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782562203 SSAKGHJRJZNUQL-QGZVFWFLSA-N 436.241 0.708 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1783133742 CYXNLUHSUVWJJB-XMSQKQJNSA-N 428.489 0.716 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1783567161 RNVKYSZYVJZUHF-QFIPXVFZSA-N 435.440 0.102 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1783672647 HAFWFAOYCJNUHT-UFYCRDLUSA-N 441.532 0.742 30 20 ICED COc1cc(N2CCC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)S)C4)C3)CC2)ncn1 1783888065 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0.910 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]nc12 1840044472 JKNVFJPGUFQUSD-OAQYLSRUSA-N 426.429 0.029 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844284080 WHRDLVNVOYWMKW-LJQANCHMSA-N 441.532 0.359 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1845252238 OMYXXVUHLRSZFK-KGLIPLIRSA-N 431.493 0.997 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(C)(=O)=O)cn1 1847263047 WBZTUQVKKLAWET-YHLLGKTKSA-N 432.502 0.159 30 20 ICED COc1ccc(-c2noc(CN3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)n2)cc1 14318988 GNZSLQVCTQKQDW-UHFFFAOYSA-N 437.460 0.336 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 31937096 XPULQMZWOJPPEY-IBGZPJMESA-N 438.575 0.816 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CC(N)=O)C2CCCC2)CC1 60755018 JNDWQKUHNBVPCF-UHFFFAOYSA-N 433.534 0.121 30 20 ICED N/C(=N/Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)NCCCN1CCOCC1 303873261 GRLBGKXUDUIPHX-SFHVURJKSA-N 439.582 0.271 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 409538378 XZEZHWGLQQMCRB-HZPDHXFCSA-N 434.588 0.057 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1 409558745 QRJVVMLQHPLMFV-UHFFFAOYSA-N 443.614 0.797 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 428267291 VQVLJADWZDPIBC-UHFFFAOYSA-N 428.442 0.927 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 439948714 YYFNJOBUNVGXEL-NCOADZHNSA-N 449.485 0.444 30 20 ICED CN(CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 440515977 ZVSNDINBMQUPMV-JOCHJYFZSA-N 442.541 0.932 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)CC1 441667055 PXVPQGKNDKNFGG-MOPGFXCFSA-N 432.546 0.750 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465125485 BUGVJANFWJLQGI-GJZGRUSLSA-N 444.517 0.761 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 465201738 ZLRYNJHJANNLAQ-ZDUSSCGKSA-N 434.547 0.852 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O 466649068 QHAGUFGHLLDWIJ-UHFFFAOYSA-N 446.411 0.572 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)C(C)C)c(=O)n2Cc1ccccc1 470347948 SMCKGNHIUGQJII-QGZVFWFLSA-N 438.488 0.719 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(C)c1 486001246 JCTLWHOMCVBODR-KRWDZBQOSA-N 429.502 0.678 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 486649947 IQPDELAYGKOVPT-KRWDZBQOSA-N 439.497 0.828 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)NC(=O)[C@@H]3C1)CCCC2 492661850 TTYZDGFIJZAOBM-KDOFPFPSSA-N 440.504 0.592 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 498603724 DENASCREBFLUGJ-CYBMUJFWSA-N 436.266 0.112 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 500653923 TUBPPINNHKHAMZ-UHFFFAOYSA-N 430.461 0.889 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1 507329256 WMVLXRVADAZGRE-QZTJIDSGSA-N 437.518 0.838 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 516497795 ZKHIMDYWBJBPFL-CQSZACIVSA-N 435.444 0.852 30 20 ICED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 517321175 ZAZLTTWNUNVCRC-UHFFFAOYSA-N 439.538 0.435 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cs1 518717403 SNVAYJNBAIQMBL-UHFFFAOYSA-N 432.571 0.947 30 20 ICED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 523133000 YCSPVVUVEQJLSW-UHFFFAOYSA-N 437.474 0.384 30 20 ICED C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 534213422 MPYWHFMIACILBC-INIZCTEOSA-N 443.547 0.915 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1 550970742 KDEXEWYQSLFGRC-UHFFFAOYSA-N 437.475 0.888 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 554432892 JWIIVRSZMNIIQD-CQSZACIVSA-N 440.460 0.580 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 555732275 GGBYYVPSFKJXQS-PMACEKPBSA-N 441.532 0.643 30 20 ICED CNC(=O)COc1cccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 556498636 JPYOLRFRYYBPLY-UHFFFAOYSA-N 430.486 0.933 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCO1 561678786 ZQXOYRUNTMCSSD-PZJWPPBQSA-N 427.549 0.840 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1C 562309740 OPFPPAVGBPQEFB-INIZCTEOSA-N 425.510 0.511 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 562332008 DJJWBDBVASLEFY-QGZVFWFLSA-N 436.538 0.273 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1 564370006 MCDOHXZDALXHEK-UHFFFAOYSA-N 429.542 0.885 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 572196004 DPIOFOAEKSQWQZ-VQIMIIECSA-N 432.484 0.912 30 20 ICED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576735058 JTHVAMCUUDSVAJ-QZTJIDSGSA-N 425.489 0.245 30 20 ICED CN(CC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 603577506 BOGBLOWTEJLYPA-HXUWFJFHSA-N 441.469 0.872 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 604068754 VRRDSVNHWIPZHR-GBESFXJTSA-N 430.530 0.431 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 604169237 VLPHAEMLCOPWCO-UHFFFAOYSA-N 448.483 0.713 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccn2C)CC1 610799097 HMISTIIOMZPPOP-HNNXBMFYSA-N 429.502 0.548 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)C[C@@H](C)O1 615628590 BMCCJIUWPGURED-PJIJBLCYSA-N 438.481 0.887 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C 619518011 YKFUXTCCOUPLAX-UHFFFAOYSA-N 441.448 0.389 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCNS(C)(=O)=O)C1=O 726414058 ZEVXITPZKASYHB-CQSZACIVSA-N 446.526 0.841 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 728531155 ACGAPXUASHVSTG-KRWDZBQOSA-N 447.333 0.696 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 728573471 XKVAMYQSIVSRNH-UHFFFAOYSA-N 440.544 0.710 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O 729674848 PBCVSPKHZBQIAQ-UHFFFAOYSA-N 433.555 0.374 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(F)c2F)c1=O 730801586 ASVIJJDWMDJUBP-LBPRGKRZSA-N 437.468 0.489 30 20 ICED Cn1cc(N2CC[C@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 732309597 GCRLAOPAMLPCRS-HNNXBMFYSA-N 431.474 0.588 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795791 YMXAKSVEMYMVME-UHFFFAOYSA-N 441.513 0.746 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CC1 737169134 XAQYJYZMHNJTMF-UHFFFAOYSA-N 434.518 0.683 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 755538599 SPQCEBMQUGRTKZ-NHYWBVRUSA-N 444.427 0.615 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 761024896 RHNGHEYWYNTKJM-UHFFFAOYSA-N 430.534 0.513 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OCc2ccccc2)c(=O)n(C)c1=O 771892814 VMYFBCRBFLHQJT-UHFFFAOYSA-N 428.470 0.975 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc[nH]n1 772176521 QMHKEJPEDZKNKL-HXUWFJFHSA-N 442.432 0.065 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 774264162 SZNMYGDVXVYFGP-KRTVLASXSA-N 444.391 0.895 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NS(=O)(=O)c1cccc(C#N)c1 777285459 GGDKOLBGLJIBOG-OAHLLOKOSA-N 436.490 0.879 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)ccc1I 778620617 PAWGGDFYWQLEJQ-SECBINFHSA-N 436.227 0.991 30 20 ICED CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 781517703 QFRSJUXGHVNERV-FOCLMDBBSA-N 436.371 0.723 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 783033491 JJVRAAXQSFAFMI-UHFFFAOYSA-N 447.535 0.438 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1)[C@@H]1CCS(=O)(=O)C1 783479672 MOLKKVVNAAYFQC-MRXNPFEDSA-N 441.531 0.426 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 786993803 BCWBWZGNHKCYNQ-LJQANCHMSA-N 428.489 0.431 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)ccc1F 799003420 PEGACHBYXDOXLI-WVDZOPJMSA-N 440.522 0.969 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 799287601 RZMSZTAEYDFNHR-MRXNPFEDSA-N 446.508 0.363 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802601272 OZRWLSVAXIWWHN-UHFFFAOYSA-N 439.586 0.799 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 803445873 ZQZIHBDLLAPEHT-ZDUSSCGKSA-N 441.453 0.150 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 804114364 VLLGWXZKSVUPHV-RTBURBONSA-N 433.530 0.774 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 805736263 VPLJUFQIVPMVEJ-HNNXBMFYSA-N 430.509 0.879 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 812038044 FJBZVCOQXQRHTB-KCQYIYACSA-N 432.477 0.823 30 20 ICED CNC(=O)CN1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914782272 JOKMFSJAYKIFSH-UHFFFAOYSA-N 449.577 0.612 30 20 ICED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 916943828 ZLNOZSMYYCNLQZ-OAHLLOKOSA-N 449.423 0.770 30 20 ICED N#Cc1cn(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1156183310 PTPAJMMBUUAYCC-CYBMUJFWSA-N 432.234 0.505 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1299226459 MXNATRWUGYGIJB-OAQYLSRUSA-N 427.509 0.368 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)CCO1 1505322335 LXZFFIMKWYLPKJ-HNNXBMFYSA-N 425.474 0.938 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)N(C)C)CC2)c1C#N 1511662624 LWLDGSUUEGXCHJ-HNNXBMFYSA-N 427.513 0.110 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1548175316 JHUPWHPPEYPHRH-IAGOWNOFSA-N 437.570 0.415 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1555079192 URMRVVIUFIAXPK-QGZVFWFLSA-N 440.504 0.888 30 20 ICED Cn1cc(CN(CCn2ccnc2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1636218538 RBIUVSDDFPFCJD-UHFFFAOYSA-N 427.490 0.496 30 20 ICED CCOc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1646277323 SSWRXBARUDIGHC-UHFFFAOYSA-N 430.490 0.374 30 20 ICED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1730763923 MNBORZORSAKISE-UHFFFAOYSA-N 438.554 0.592 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1750061957 SLRUMXLDKLCYHX-ZIAGYGMSSA-N 446.599 0.842 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)CCO1 1770747331 PEFKHUZRLKNUIJ-DLBZAZTESA-N 440.508 0.501 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778417225 WXAOYZZDRJTCPA-NRFANRHFSA-N 427.461 0.911 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779015265 SWKGBXSHLOQLNM-MWLMUJSGSA-N 433.553 0.691 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779065511 VNZIPGWPRQGTGW-HSZRJFAPSA-N 442.516 0.808 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779101430 LCCLVHUMLUGOPL-ROMKBHBSSA-N 442.476 0.702 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440589 JBZIRNNHGHRUOR-CUKRGZBSSA-N 433.509 0.484 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780199904 AZFZGVSGIPPLMW-OAQYLSRUSA-N 425.445 0.535 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1780921285 IVHPTKKPPIIDEN-JOCHJYFZSA-N 440.456 0.440 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781401289 XXSMZGJCRNOOPP-QRWLVFNGSA-N 435.481 0.942 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781655570 JAOJFXXHSWMULE-WOCWXWTJSA-N 443.566 0.878 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C(=O)c3ccccc3OC)C1)C2 1781689184 RLASICWOPFYILG-HYBUGGRVSA-N 439.512 0.914 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783491805 OEEQEALLVIYRNE-GSHUGGBRSA-N 435.521 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1783528585 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C=CCC[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 1799321835 NGUXQGWRBAXORG-QKPAOTATSA-N 448.524 0.867 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641943 KPEYRQPJBMYBIB-SFNKJDCFSA-N 430.461 0.020 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799683743 MHPIBLISTBQJGB-JBXGNFEISA-N 442.513 0.220 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1ccc(O)cc1 1801054640 MTDGFPVFBHWWPP-XWQURZDVSA-N 430.501 0.488 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1801989383 DVNBVDBQISHCEY-VAKZPMALSA-N 425.441 0.853 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1803567464 VXKINQILYBYCPX-QSOKESPWSA-N 434.493 0.743 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806585904 CJUQEBNLUJKHQP-QMFLXTPQSA-N 449.508 0.298 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1808852645 LNPYTBFDVKKTIS-LYSIVYOWSA-N 447.536 0.539 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810251908 AQUHVRTWXBUEBM-LQWHRVPQSA-N 439.516 0.917 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770661 XWMOHHZAINVVDW-GHMZBOCLSA-N 447.454 0.581 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C(O)O)CCN3C(=O)OCc3ccccc3)C2)CC1 1828523371 NQOCXBCLLZMCEC-JOCHJYFZSA-N 442.472 0.053 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829905559 GNFFKJNRLDSCIM-XMQQHFNTSA-N 440.500 0.597 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905769 LTHWVUNLRCWVEV-JPYJTQIMSA-N 428.533 0.897 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829908016 VRZIDUMIRMREDZ-HTAPYJJXSA-N 438.488 0.410 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830953312 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C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841136443 ZOAYIBCMIGHIHE-IVZQSRNASA-N 449.552 0.930 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842954069 SGPPXMAYAOYBOX-GJZGRUSLSA-N 436.509 0.169 30 20 ICED O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844284316 OCYVWVXAMFQGFF-UHFFFAOYSA-N 435.571 0.749 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1846979289 ZBSJVXZUPRAFHN-UHFFFAOYSA-N 434.456 0.394 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1847071612 KFDFWCJEVXRGBA-AWEZNQCLSA-N 429.477 0.504 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512504 PAGRPCWEMHMGAL-YHUYYLMFSA-N 426.514 0.875 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)cc1 15545305 LSSQYXJXEXNALR-UHFFFAOYSA-N 431.474 0.484 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1OC 19467969 WNGOYOFLMGGUIX-GOSISDBHSA-N 427.479 0.580 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 432301604 JZBSBWDZPQXWII-HNNXBMFYSA-N 434.460 0.976 30 20 ICED CC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437962619 JVWPVBKDHHHDCA-SJORKVTESA-N 427.461 0.517 30 20 ICED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 439337290 RIGPKNTZPFEZHK-CQSZACIVSA-N 437.522 0.473 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(OCCCOC)C2)cc1 441294590 GYBCQOOQKAWBFV-UHFFFAOYSA-N 425.507 0.696 30 20 ICED CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446531980 OHODBOCWWFEKFL-MRXNPFEDSA-N 431.493 0.673 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 461365340 SIVATNBCYYYAPA-UHFFFAOYSA-N 425.510 0.753 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 467676875 FLHPSQDIUCYDBX-UAGQMJEPSA-N 441.937 0.709 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2Cl)c1=O 479371819 OXMJMUNJECDGEV-UHFFFAOYSA-N 438.962 0.113 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 505665314 UATGJEOTPARCIJ-AWEZNQCLSA-N 438.513 0.266 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 509420316 XCKOBOBXYYVDSE-HNNXBMFYSA-N 426.564 0.960 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 516092679 MRUMWNGNXCIVPU-UHFFFAOYSA-N 431.449 0.783 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 517055850 VXBHSNRFKCIPCS-ZDUSSCGKSA-N 427.914 0.927 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)c(F)c1 523233677 GOOIEECNWDZKMD-UHFFFAOYSA-N 425.420 0.849 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 525649694 VIHXMIVBXNBKSQ-UHFFFAOYSA-N 441.513 0.778 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 542476094 VOZAPSMGRRHBHT-UHFFFAOYSA-N 434.478 0.377 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 546905309 GBTXSOZSVQFDGW-HNNXBMFYSA-N 426.433 0.393 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 582096760 ZOSQPGLINGTUNZ-MRXNPFEDSA-N 430.472 1.269 30 20 ICED COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 588036426 KFOMBIGVISCOFI-RTBURBONSA-N 448.479 0.904 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 608855725 YCXCPQZRDTWUAI-UHFFFAOYSA-N 438.509 0.491 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 608911090 IVZZKCSMIAQPEI-UHFFFAOYSA-N 426.523 0.637 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(=O)N(C)C 610358235 KFQSNKGRBWCJGF-UHFFFAOYSA-N 442.541 0.174 30 20 ICED COc1cc([C@@H](C#N)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc(OC)c1OC 727647473 VBPMEWVCZBNBPI-CQSZACIVSA-N 432.458 0.891 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 728570673 KAJSMSXTCGQDGO-UHFFFAOYSA-N 426.439 0.611 30 20 ICED CCOc1cccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 730196085 NIXZSYYQTIVZLQ-UHFFFAOYSA-N 429.502 0.868 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)cc1 747006612 HUPFNOXHCQHXAT-ULJHMMPZSA-N 449.533 0.613 30 20 ICED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 747672458 VMYIBGLAUYFCNI-QGZVFWFLSA-N 448.501 0.027 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCS(=O)(=O)CC2CC2)cn1 764879146 OCGPOXKHWQXMGV-AWEZNQCLSA-N 427.552 0.795 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCNC(=O)C1 765143945 RYXUVZWUCHZREF-UHFFFAOYSA-N 435.550 0.224 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 773327174 UHJAABFGUURQNW-UHFFFAOYSA-N 446.441 0.640 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)nc1 774804825 CFYGKANIIRYXSM-INIZCTEOSA-N 428.518 0.733 30 20 ICED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 777515040 MCWXUYIHKCUWAP-UHFFFAOYSA-N 428.942 0.698 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)n(C)c1=O 786573135 ZVEUSZDDHROPDP-GFCCVEGCSA-N 444.398 0.127 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1ncccc1F)/N=C1/NS(=O)(=O)c2ccccc21 791948156 YWRLXSWOZLRSCV-SNVBAGLBSA-N 426.451 0.543 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)c1cc[nH]n1 794267309 RAEHUEOBZXATQR-UHFFFAOYSA-N 428.405 0.697 30 20 ICED COc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(NS(=O)(=O)C(F)F)c1 796139203 CJWCZOOKQFRLEF-UHFFFAOYSA-N 436.422 0.101 30 20 ICED COC(=O)c1sc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C(=O)OC)c1C 798742754 SUSUMPMKDKMSKP-VIFPVBQESA-N 435.418 0.836 30 20 ICED C#CCC[C@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 799204719 QDPVGPFNZHXUDT-GJZGRUSLSA-N 429.520 0.048 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCO1 804104919 OHNOFDPLFDMXCL-HZPDHXFCSA-N 436.306 0.982 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C[C@H]1CCCC(=O)N1 808981833 UFCXRHKDYCWDTL-CQSZACIVSA-N 426.429 0.968 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273568 CXMZTKYSLKCILK-UHFFFAOYSA-N 435.456 0.129 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 812318625 VZFCZUIGRZROPS-OAQYLSRUSA-N 447.513 0.852 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815562071 WGQBSYRBOOJXQD-GFCCVEGCSA-N 425.388 0.680 30 20 ICED C=CCn1c(C2CC2)nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1=S 915208612 OCPGJSIGJITQIS-UHFFFAOYSA-N 441.627 0.545 30 20 ICED CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(CCC#N)CCOC 1116928155 FKCVSWAXWUBEIU-OAHLLOKOSA-N 448.542 0.578 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286620808 SZIJZJUCPWMILD-LSDHHAIUSA-N 432.978 0.799 30 20 ICED CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1297279047 KEFYUDDBXHLZRF-UHFFFAOYSA-N 447.565 0.904 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1305246367 RVORVBCGNVJKDU-NYHFZMIOSA-N 440.504 0.827 30 20 ICED CC(C)[C@]1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 1343483986 IOWPNTVXRSLMIX-OAQYLSRUSA-N 434.562 0.732 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(F)cc3)C2=O)cc1 1467707632 QUZVPZKIOXYEFE-GOSISDBHSA-N 430.461 0.893 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1=O 1519233013 OMYCUQXMGITOFP-GOSISDBHSA-N 428.493 0.773 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1712692224 OGSZHQAIRJAZOG-KRWDZBQOSA-N 428.518 0.966 30 20 ICED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1761954875 IWEYTJBAFVSAFD-KRWDZBQOSA-N 444.565 0.717 30 20 ICED COCCN1C[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1771125175 TYIFQLRGQYVLFJ-YWZLYKJASA-N 433.488 0.451 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1778941778 SVSOPUSAURLVCO-IBGZPJMESA-N 449.389 0.896 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779020668 VVZLTUGQBXKXCL-ZZAWEDPDSA-N 444.536 0.840 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C1)CCC2 1779106915 NAJVAMFHTPILOL-RWTMDTCBSA-N 445.520 0.881 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779382820 LRHASMDVROGZLI-HXUWFJFHSA-N 440.416 0.955 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)cc3nn[nH]c23)C1 1780113427 DKIYOORQGMAUMC-FOIQADDNSA-N 445.863 0.827 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781336879 FEMJIKYWEYQUFN-VFNWGFHPSA-N 436.509 0.396 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1781825158 QBNKFBUGGNCMEN-OYHNWAKOSA-N 432.473 0.891 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783252410 DPCCIHBXNSYEKI-JTUHZDRVSA-N 441.484 0.407 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n(CC)n3)C[C@@H]21 1783531124 DJLYQRRPJHRNSX-SAWCTPMISA-N 429.521 0.663 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1783887076 SLIDUMIVHUKUSM-ACJLOTCBSA-N 427.548 0.388 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3COc4ccccc4O3)[C@H]2C1 1784395183 NYZVETCJNKXATH-FPXQBCRKSA-N 428.441 0.284 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1784740854 OLDAXKXRLHJKOE-NRFANRHFSA-N 433.530 0.755 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1785427682 UKLICDMNKHYVGJ-FGZHOGPDSA-N 435.521 0.602 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)cc1 1785639887 OQLBXYIIEZVHDC-ZWOKBUDYSA-N 449.467 0.882 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787507258 MVFFCGZLEYNZAC-BZSNNMDCSA-N 425.551 0.195 30 20 ICED Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)n1 1788504981 SYINVBZSLKNZKH-MXFMJEEJSA-N 429.481 0.011 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=C4c5ccccc5C(=O)N4CC3)[C@H]2C1 1789169180 XXZDAFUUFHNMEF-JVPBZIDWSA-N 449.463 0.325 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789799666 LGTOQPIYRRJMJD-VYJAJWGXSA-N 436.597 0.175 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1790830157 INPUDQRYSMPWNZ-QSUVVDIXSA-N 429.521 0.787 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)ccc1F 1790860217 SAZWGQOZMBWUKV-RUENVJTFSA-N 428.464 0.356 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792130548 NWFCFUXHSVZSAX-JYJNAYRXSA-N 436.534 0.156 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 1793779249 VQMXYHUEZYSJPJ-OPOADAIRSA-N 439.516 0.881 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)c(O)n1 1794490267 AHCYWWOYIYWQFR-CWPLJXCYSA-N 440.504 0.791 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408288 SEGKBDUYXBPSCR-QKPAOTATSA-N 435.525 0.122 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CCC#N)C2 1795421533 CZFDBBPHIYVJTA-GGXPGOJBSA-N 443.504 0.516 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795423926 LYSRJBOCCDQIME-SHJAMOMRSA-N 430.480 0.766 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2ncnn2c1 1797559731 DUKFGDDGYXJNSF-RMFSNUHRSA-N 437.500 0.631 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797713576 UBBSLKNPLBUVOO-FSDCSDTHSA-N 432.521 0.701 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1797838085 UQQIWBBEXXDSOO-RCYRTTBSSA-N 425.445 0.322 30 20 ICED Cn1ccc(=O)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1798528775 NCIPNNLKGROMNC-TYGXFAMMSA-N 432.477 0.118 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1802020059 WFZVMFATKSVHLR-FAQVEIGNSA-N 439.516 0.025 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C(\C)NC(C)=O)[C@@H]1c1cccnc1 1802489483 JUVXWEKVXGBHFK-NWKWWBEPSA-N 439.516 0.986 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1802685840 PSGPLNBHGARZBN-CZUORRHYSA-N 435.448 0.077 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1803566528 LQKBKVLWYNPZGN-LYSIVYOWSA-N 432.521 0.329 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1806620510 VIYZUEZKPIKONV-QPTUXGOLSA-N 448.523 0.790 30 20 ICED N#CCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1806863190 PGSQEWQOKDFAPP-IFXJQAMLSA-N 442.501 0.856 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807062248 JSTYTAJGGNLCPW-UWJYYQICSA-N 435.488 0.521 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1 1809822925 XQOAFWDSZPVAJX-GOSISDBHSA-N 432.565 0.509 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818017913 YGDKGNJBBHRSSR-DZKIICNBSA-N 447.540 0.604 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826823742 ZSBWXJQWLHASBH-NNFADHLQSA-N 434.585 0.671 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1826894285 KZDWXVGZLFDWMH-FPOVZHCZSA-N 449.596 0.539 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOC)CCN2C(=O)OCc1ccccc1 1828910029 XVTOKVGVEUIUFW-QHCPKHFHSA-N 443.500 0.735 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3O)C2)C1 1829773253 DWRNPGVCWHQWBP-KSEXMQBYSA-N 443.500 0.629 30 20 ICED COc1cccnc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209006 GFLWZJAQHNZHPD-QHCPKHFHSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831397191 VIMKZZHOKJCVTA-AUSIDOKSSA-N 432.517 0.180 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831492359 KMPJRDKYIVTKAO-UZLBHIALSA-N 437.518 0.835 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831901152 HSNRQBCLJKABOB-NRFANRHFSA-N 433.484 0.573 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832062192 LCRFTMHOBVYHBP-WMZHIEFXSA-N 433.549 0.236 30 20 ICED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1832545078 JRNVJGPKGPTZKY-QFIPXVFZSA-N 448.520 0.924 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832679834 JNXLUGSOQJDTGF-UWJYYQICSA-N 434.493 0.718 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834391119 OBOTYPYUGWWCHT-HSZRJFAPSA-N 437.500 0.995 30 20 ICED COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835341297 WEPIXUVEVLPTBC-QFIPXVFZSA-N 428.489 0.783 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444954 FKBHFLYZPHEWAN-NZQKXSOJSA-N 435.565 0.934 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835913600 GAJCBAQSVFNQNI-NZQKXSOJSA-N 444.532 0.564 30 20 ICED O=C(CCc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1836051753 GVQYTVBABUVZFE-HPARJBSBSA-N 441.488 0.578 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)o1 1837561115 ANQDRYHKWKRDDA-ZJHLSYPMSA-N 445.476 0.523 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837574183 PPIJHVMXAZFOPQ-APWZRJJASA-N 427.592 0.899 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2)C(F)(F)F 1838480159 PDQJGHKVZGSDPF-SFHVURJKSA-N 443.378 0.999 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1839452959 HBBLUEWKPFWQJO-NRFANRHFSA-N 426.429 0.944 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839498577 FEZHNMXEDDZJLH-AUSIDOKSSA-N 442.516 0.977 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986540 RUNDITPMQQOGFP-JXFKEZNVSA-N 445.582 0.922 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004692 LJLBPHDTYCHXCG-PDQWDRGOSA-N 436.505 0.377 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840497902 CCSHMFPLUQPXEO-NRFANRHFSA-N 425.445 0.300 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)C(=O)O 1840838955 HYVZMOGYEVUJSG-MCZSENPKSA-N 427.457 0.854 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840857763 ZQUOSDIKCMTEHV-UGKGYDQZSA-N 446.479 0.243 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1845187793 UWLVDBAUWXFSQJ-UHFFFAOYSA-N 435.502 0.812 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1Cc3nccnc3CN1C(=O)OC(C)(C)C)C2 1845960760 KULUXVGZCVCJLM-KRWDZBQOSA-N 425.489 0.975 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 108759196 MBZXFRAMRFDPBW-AEFFLSMTSA-N 430.436 0.529 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC(=O)NCCN3CCCCCC3)C2=O)cc1 431907733 SUOPPIOZCFPIGE-HXUWFJFHSA-N 440.548 0.951 30 20 ICED COC[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)NS(=O)(=O)c1ccc(C#N)s1 435445570 XGDYVUGQNKGMAP-SNVBAGLBSA-N 446.557 0.825 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437041652 XAHRVXKOTVIGOU-UYAOXDASSA-N 444.532 0.785 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 438759427 YMPIFSDAPQJUMN-UHFFFAOYSA-N 429.525 0.102 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1=O 440281062 WYQYOFMWLFGVCZ-KRWDZBQOSA-N 448.545 0.928 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCOC1 441954471 PLSXENQTLHETNO-INIZCTEOSA-N 439.537 0.909 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCSC 443672015 DKGCAHVEBJVVJN-UHFFFAOYSA-N 448.595 0.862 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460610690 BPFNGZVOHCQEOS-QGZVFWFLSA-N 438.492 0.136 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 460891764 CIWYIMZCEIGEKS-UHFFFAOYSA-N 436.534 0.237 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc2ncc(Br)cn2n1 465185061 DAYBONMYTALJIP-SNVBAGLBSA-N 428.254 0.899 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 465273692 RMYYUNWRBRRIND-IEBWSBKVSA-N 441.536 0.099 30 20 ICED COC(=O)[C@H]1CNC(=O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 468666397 IPVVNAFZNLVPFB-CQSZACIVSA-N 427.417 0.523 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 477028425 FISRGPUWYGRXHH-MRXNPFEDSA-N 442.501 0.484 30 20 ICED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 478848993 BAOSRKVCVANTCH-UHFFFAOYSA-N 435.509 0.303 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 480111266 IQCAFPSSBIUSEI-OAHLLOKOSA-N 427.486 0.605 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(Cc2ccon2)c1=O 480940345 TXTXDIUSRJSCCF-UHFFFAOYSA-N 432.465 0.821 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccn1 488906300 YHEMIOACJZCWPU-LLVKDONJSA-N 427.490 0.869 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)nn1CCC#N 504048591 LAISKLOHACITTJ-UHFFFAOYSA-N 429.525 0.446 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 507425263 PMNNENKQXPSPDM-GOEBONIOSA-N 446.533 0.802 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 514645654 LSOCEZUMQAKRDX-UHFFFAOYSA-N 431.514 0.600 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 517515580 RAQLASULLAKRIG-UHFFFAOYSA-N 442.563 0.765 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 523182691 XPVBDCSODAFKQT-UHFFFAOYSA-N 439.501 0.689 30 20 ICED Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)NCC#N 524164484 BDCOIMSZURILFT-UHFFFAOYSA-N 429.502 0.959 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])s3)c2=O)cn1 541082041 SUSGQSGJOFBGCT-UHFFFAOYSA-N 430.471 0.334 30 20 ICED CS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 556571272 DSGGDHUKGPZZLR-ZDUSSCGKSA-N 433.465 1.105 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 558778228 OBCOODGALATVIG-HZPDHXFCSA-N 448.615 0.351 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](N4CCNC4=O)C3)n2)c(F)c1 566599714 YNDABXFCQWTRLP-AWEZNQCLSA-N 425.424 0.838 30 20 ICED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567287941 YOZGEJVDJMWQIK-IBGZPJMESA-N 444.513 0.327 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 569642463 DWTUYJGNYDKCID-YADHBBJMSA-N 441.576 0.942 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nn1CCC#N 576390756 HNFZAXCZCYVCIP-UHFFFAOYSA-N 430.490 1.467 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cc1 589422117 PJDMVMJJDJHPCH-UHFFFAOYSA-N 426.498 0.882 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1 609675186 BQGVOJFBBKACAC-UHFFFAOYSA-N 434.499 0.503 30 20 ICED Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nc2c1c(=O)n(C)c(=O)n2C 609971481 BJRYORKNBKQHBM-QGZVFWFLSA-N 432.484 0.791 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 613326714 JCOMYJVDJVCRFO-UHFFFAOYSA-N 446.960 0.988 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162464 GKCSJTQMAQGGJV-UHFFFAOYSA-N 444.605 0.506 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 732466987 RTJJLRZPOCJYAQ-RRYLNPQJSA-N 446.552 0.345 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(OC)c(F)c3)CC2)c1=O 732481734 BYXGIBVRGAGTOH-UHFFFAOYSA-N 445.495 0.467 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1=O 734481872 ZRYMXJNBBQJMFD-GOSISDBHSA-N 425.489 0.629 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742174403 BAAAJKWUWZSPPM-UHFFFAOYSA-N 439.519 0.712 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 745386856 JFTQWELOMPAFNT-KRWDZBQOSA-N 434.408 0.970 30 20 ICED COC(=O)CN(CCN1CCOCC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 746379785 JTSNQYGGMHQNIR-NRFANRHFSA-N 429.477 0.090 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)CC1 749667800 YFADHNBVDMCDPG-UHFFFAOYSA-N 442.564 0.213 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)CC1 751002215 CJOYXLJIAYURDT-UHFFFAOYSA-N 431.558 0.975 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 751957862 MEGKMJLPURBGBR-JQIJEIRASA-N 435.238 0.938 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766050216 CJKHJTVILBUURE-UHFFFAOYSA-N 443.441 0.940 30 20 ICED C#CCN1CCC[C@H]1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773650253 MFMNKSWIIARHSO-KRWDZBQOSA-N 443.547 0.005 30 20 ICED C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785064038 BOASUDWGZDGVCE-XTZNKOAQSA-N 428.536 0.321 30 20 ICED CN(C(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1(C#N)CCCCC1 786994320 BPZJCASFZFFYMZ-GOSISDBHSA-N 434.537 0.928 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 786995553 DYHOQQJYLXIWFS-RDJZCZTQSA-N 434.518 0.884 30 20 ICED Cc1c(Br)c(C)n(NC(=O)c2ccnc3c(C(N)=O)cnn23)c(=O)c1C#N 791172682 HKXGXJKNWRMGKO-UHFFFAOYSA-N 430.222 0.625 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)cc1 792414304 YFHGJMFUHTWRLA-FSXJBPCSSA-N 434.518 0.933 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 799287223 PMLKINCDRMCGSO-OAHLLOKOSA-N 437.518 0.699 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 808759682 UPYRCQSZSKIHLR-UHFFFAOYSA-N 429.520 0.169 30 20 ICED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@H]1CCCO1 809304178 GEUKBOKKMDAKSC-IPMKNSEASA-N 429.473 0.565 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 810344075 DHDLNTHAQYLCEZ-UHFFFAOYSA-N 432.318 0.943 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 811251931 MUCRAMWSAYEBIM-UHFFFAOYSA-N 439.453 0.515 30 20 ICED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816128751 VJGZWMOTGFUFIB-AWEZNQCLSA-N 444.491 0.866 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CCOC 838228853 BOVFUKZLUZXDOE-UHFFFAOYSA-N 429.542 0.747 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)cc1 878407718 ZILWCBGGNDWHEH-LJQANCHMSA-N 449.529 0.470 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 900931927 QVKROBAWDRQDQJ-UHFFFAOYSA-N 428.517 0.011 30 20 ICED N#Cc1ccc(N2C[C@@H](c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)CC2=O)cc1 1255961671 ZJUXPMYHMXZBCL-AWEZNQCLSA-N 429.458 0.261 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)c1ccco1 1303405132 IUPVAYJZPWNJTQ-INIZCTEOSA-N 440.508 0.616 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C2=O)cc1 1320738981 XLCYKYWNPJYPFN-HXUWFJFHSA-N 441.509 0.784 30 20 ICED N#Cc1cn(CCC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c(=O)nc1O 1464737096 LEEHNOMRWSFQSM-UHFFFAOYSA-N 427.486 0.967 30 20 ICED CN(C)C(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1503369715 IHOFJAHKIZRXPM-CQSZACIVSA-N 436.476 0.399 30 20 ICED CS(=O)(=O)C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1544279058 MOFGJHYDZXQUFM-INIZCTEOSA-N 439.559 0.852 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993438 OIWMUWDRWPVWIB-HUUCEWRRSA-N 425.511 0.188 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2c(nnn2C)C1 1570816867 JTSDVHALQHSJQQ-CJNGLKHVSA-N 430.534 0.942 30 20 ICED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1617585103 IQXJSABYDVWLMV-UHFFFAOYSA-N 433.538 0.671 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1618633076 KPVFMNRDZXEDAY-KRWDZBQOSA-N 445.549 0.671 30 20 ICED C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1620178685 LDSDLXKFCXYXET-WNNBVUDTSA-N 449.558 0.988 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712453650 VDATWEWFXFBINU-MRXNPFEDSA-N 435.554 0.932 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748297671 UWZHGYKSXBSDBI-UHFFFAOYSA-N 430.538 0.373 30 20 ICED CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750526720 SFFUZWULJQZXSJ-HOTGVXAUSA-N 438.554 0.020 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1778059655 GFCQDDYHAGUOGC-QOEHIXHZSA-N 447.496 0.917 30 20 ICED CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779101380 KSOLFXJMIUXZTL-ZQUFOJLJSA-N 434.497 0.832 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1779136335 KMBNODBSCQALDC-XWRADEMYSA-N 429.477 0.685 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779224165 GZCSIYOIJSHJFP-VGSWGCGISA-N 438.488 0.695 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1779408042 TTXQNVMHWSQFCN-BGIGGGFGSA-N 430.523 0.313 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311866 PUWFAVJKKITELW-GKCIPKSASA-N 443.566 0.818 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1781801139 XJRBKOQEVWVGEQ-QWQRMKEZSA-N 433.452 0.776 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782157069 PCXKJKGEGIFNJW-PEOGOYOCSA-N 432.473 0.344 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782789931 VTOYCMVSGAQXJG-SFHVURJKSA-N 440.403 0.798 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783521597 QYTSIEZFUUIRLY-PNLZDCPESA-N 437.537 0.894 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1786858031 AHOWYMPJICFILF-WBAXXEDZSA-N 439.520 0.833 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)nn1C 1788631039 FQADLBSKMFFONM-JBACZVJFSA-N 442.560 0.949 30 20 ICED C=CC(=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 1788755766 UQLCUHAMGOZTFT-QQDKQVRDSA-N 442.491 0.910 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5sccn45)[C@H]3C2)CC1 1789136590 YPABPSWBUUCLQQ-YDHLFZDLSA-N 427.486 0.653 30 20 ICED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)cc2C1 1790523129 LMEVGWIWIHDNCH-IEZWGBDMSA-N 426.521 0.616 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)C[C@@H]21 1790793412 FAMFNMMYHITDDN-DTXAGUPXSA-N 447.532 0.481 30 20 ICED Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791693832 FMYLMERSUCDNPW-BJLQDIEVSA-N 441.528 0.886 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792425600 NTVPZHCZMCONEZ-RMFSNUHRSA-N 443.573 0.564 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)[C@H](O)N1CCOCC1 1792944854 DRSNLARKSYNKIL-WEMPKCCASA-N 431.920 0.980 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)c1ccccc1 1793419962 SLCXZLDTGKLUKD-UJMXGEILSA-N 425.485 0.882 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796078215 HFEMVBJPVLNHRV-XEMDLRDOSA-N 433.530 0.633 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797643627 RSVZQQXATWIFSK-KSZKVXGTSA-N 443.500 0.884 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2 1798268964 MEARQHUTZKAXBF-CLWJZODNSA-N 444.488 0.812 30 20 ICED C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)N1C(=O)OC(C)(C)C 1800774875 QBMOLQPSWOCDER-NAHJCDBISA-N 449.504 0.452 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@H]12 1800836003 QSHUCPLLYGMOGM-ZHRPLEGYSA-N 447.532 0.624 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1802040779 QFCHAYWYGYSVPN-PIKOESSRSA-N 442.491 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802484336 ZOFYMVHPIMELFX-KDSKUYPASA-N 425.489 0.224 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1808439958 DMUFSLMHXYLKKP-HLIPFELVSA-N 428.489 0.875 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1809666526 WQSNBAXNPMTGEX-ZJSXRUAMSA-N 437.544 0.665 30 20 ICED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)C#N)CC3)c(=O)nc1O 1827988748 ZKVBLUWGAOKNGA-LLVKDONJSA-N 430.490 0.876 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989614 LAPFPFDQJPHJTK-OLZOCXBDSA-N 447.517 0.917 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630089 QPPRCOXNZIDUBR-HSZRJFAPSA-N 437.500 0.995 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829856753 USHPECWGKIRUJU-DTXYYNOZSA-N 434.493 0.070 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1830056407 WIMFYDXHEKZUMR-FQEVSTJZSA-N 428.449 0.055 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1831412938 JASCWOOQCLZOBC-XLIONFOSSA-N 444.550 0.003 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831437314 BKIXIOBPZABRPC-UTKZUKDTSA-N 428.526 0.823 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427918 DVUOBMYMLQAHPM-NRFANRHFSA-N 447.532 0.466 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833677504 QHYGBRCZMMIMJM-LJQANCHMSA-N 445.564 0.878 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477216 HOLSGVZHDPKXMB-QHCPKHFHSA-N 445.491 0.989 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714492 XSUODJPYTZHCPQ-HXUWFJFHSA-N 448.612 0.755 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835440732 FARJEDLFETVFMJ-HXUWFJFHSA-N 427.567 0.084 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836995122 YCCBEYGPOGZPMY-XCLFUZPHSA-N 435.502 0.406 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524319 FICOESNJTACRBG-MDAVEZEFSA-N 435.481 0.019 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837526589 VBQMQBYLTPSTKJ-DWBVNXOXSA-N 447.492 0.005 30 20 ICED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1C 1838150785 WEENYMMASCOIIV-YVABFXQFSA-N 443.504 0.994 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)CC1 1838258868 HBDYFOFIURWSGM-UHFFFAOYSA-N 448.483 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838349327 IYMSQAAPHYXATC-IIBYNOLFSA-N 434.493 0.128 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(O)n1 1838672501 XECIOKLLPINWBX-NRFANRHFSA-N 425.445 0.679 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362513 XQLRRZCZXCZXSH-QFIPXVFZSA-N 429.473 0.776 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839784428 WNCVTORZVUQWFD-RXVVDRJESA-N 447.513 0.205 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839880224 JYAQPFHUDJAAQW-QRQCRPRQSA-N 446.479 0.221 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839890776 SRZLHMJLNNRKDS-HNNXBMFYSA-N 443.369 0.333 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840140175 ROTJEXPPOBNFPZ-DRSNIGMVSA-N 433.505 0.748 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840166137 VPKMJNDLHIIFCM-IIBYNOLFSA-N 435.546 0.581 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840172002 KZMUOHBEYVZNIS-FQEVSTJZSA-N 437.518 0.272 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840405863 HMXYUSGOSXQATO-AVRDEDQJSA-N 448.520 0.718 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cncn1 1840420211 DQXSZOUVCQLIAJ-BTYIYWSLSA-N 442.451 0.620 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C(N)=O)cc4)CCO3)C2)CCC1 1840648870 HRKBETCBFSDKGI-JOCHJYFZSA-N 426.473 0.549 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1840713270 JMPAVDRADXBMDF-ZDWFVDTJSA-N 440.500 0.662 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844281770 QSXCOEUAFAWSPI-QGZVFWFLSA-N 449.548 0.774 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)C[C@H](C)O1 105947434 UVDNPEGMFXRBDO-KBPBESRZSA-N 427.552 0.530 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1C(F)(F)F 409483148 CGCMVCRKHGZZPN-JTQLQIEISA-N 426.442 0.771 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 409520755 KOIKORXMBMYQOA-ZDUSSCGKSA-N 431.496 0.237 30 20 ICED COc1ccc(CCC(=O)N2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409589345 PFQSCEQQWUKLMB-IBGZPJMESA-N 436.534 0.631 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 426245890 XLRZDUQBLMXTIS-KEYYUXOJSA-N 429.477 0.809 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 437073255 FXLMHOMXOXJYJD-OAHLLOKOSA-N 443.547 0.467 30 20 ICED N#CCCn1ccc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 438318926 FWGKFPLPJISBQT-UHFFFAOYSA-N 432.506 1.280 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 441607236 DTXVZSRLLRJGQE-UHFFFAOYSA-N 443.475 0.480 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442444643 MCLRBDYGURMODS-UHFFFAOYSA-N 432.400 0.458 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 443734775 SARWSAUAEJKPME-AWEZNQCLSA-N 444.556 0.777 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 448114177 QJBRAEBZNIXJMW-UHFFFAOYSA-N 449.533 0.944 30 20 ICED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 466334016 DWNQILFSLZFTHV-UHFFFAOYSA-N 437.478 0.411 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 473226829 NYDFJMRWZYXSHJ-AWEZNQCLSA-N 433.472 0.652 30 20 ICED COCCN(CC(=O)N[C@H](C)C(=O)N1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 475759615 MCGZZKDFAMXMIT-MRXNPFEDSA-N 436.534 0.713 30 20 ICED Cc1nc(SCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(C#N)c(C)c1C 476200382 LBGCRVLWWFWQCL-UHFFFAOYSA-N 435.535 0.622 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1 476278411 RRMBDSHXHMBBKB-RTWAWAEBSA-N 426.517 0.999 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCC3CC3)nnc12 482095913 AIUZKYNPXWULQE-UHFFFAOYSA-N 426.502 0.965 30 20 ICED COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1-n1cnnn1 482406436 LGSCRMAFIWRSSG-GFCCVEGCSA-N 427.446 0.848 30 20 ICED COCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488278559 IVOAEKODBCCIRZ-MSOLQXFVSA-N 434.518 0.504 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 491082057 NFPIMECUEYMLDM-UHFFFAOYSA-N 429.521 0.554 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509167908 UZFYOZWRKALDGQ-OAGGEKHMSA-N 434.588 0.246 30 20 ICED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 511905115 OLUUVBOVAVSSBN-ZDUSSCGKSA-N 431.880 0.832 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2CC)c1=O 512780873 IMQGNKPTOANLRE-UHFFFAOYSA-N 431.562 0.971 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cscn3)c2=O)CC1 516372906 ZGQQBEUHOJQWMK-UHFFFAOYSA-N 429.571 0.758 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 531683933 BKQSHSFPYSDBKM-UHFFFAOYSA-N 441.425 0.112 30 20 ICED C=CC[C@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 538220394 DJGXANGRVJSPNS-SFHVURJKSA-N 437.562 0.909 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(C#N)cs2)c1=O 548290400 CPZACJMXBNAIBN-AWEZNQCLSA-N 429.523 0.988 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 553187923 VAKAWBDUZOZRRU-OAHLLOKOSA-N 441.467 0.012 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553216705 YJZKXVCBCOKEJC-SFHVURJKSA-N 431.512 0.773 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)C(C)C 559864923 NSPQQJQNXUFSJD-NRFANRHFSA-N 447.624 0.814 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 561413971 VGTZXBMBGVLYMV-MRXNPFEDSA-N 429.481 0.137 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)c(F)c1 562098997 XWEDLVPMIMMESX-CQSZACIVSA-N 441.385 0.625 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)o1 563647688 BMLWRXFJYAHURY-LBPRGKRZSA-N 445.500 0.417 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 564374336 YUFWUTKOSKQVBI-LPHOPBHVSA-N 440.500 0.966 30 20 ICED CCNC(=O)N1CCN(c2cc(C)nc(N3CCN(C(=O)NCC)CC3)c2C#N)CC1 589105389 JEHDYIYEGHTRPV-UHFFFAOYSA-N 428.541 0.965 30 20 ICED Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118535 JNBQTGZAQGEKJD-UHFFFAOYSA-N 439.518 0.992 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C 604269920 JBTIAUHWJXFPFV-UHFFFAOYSA-N 448.570 0.105 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cn2)CC1 610105727 LCBNNZGEXCMUFK-UHFFFAOYSA-N 439.494 0.975 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 610199987 ZBEJVWCTHXMNCI-UHFFFAOYSA-N 431.474 0.167 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928851 QMZUYDPDCSVBGD-UHFFFAOYSA-N 436.946 0.672 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)OC)C2)cc1 726728320 NIZLXLQEJXNKLZ-OAHLLOKOSA-N 438.506 0.779 30 20 ICED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1 731352674 CDDCLNXHWLTAFT-UHFFFAOYSA-N 426.454 0.541 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 731854933 MCRRCPSCFFULEQ-KBPBESRZSA-N 433.494 0.397 30 20 ICED COc1cccc(C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n2nnnc2C)c1 732154141 OUDIYKQDZOMERC-RJCBAWPRSA-N 425.449 0.417 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735294703 FJFNOBCMZBRSCZ-UHFFFAOYSA-N 449.492 0.626 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(OC)ccc3ccccc23)c1=O 758068547 MJHQTJPCXMTLRM-UHFFFAOYSA-N 447.516 0.970 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 758328562 SOKQCEFPDLKFGQ-CHWSQXEVSA-N 432.506 0.373 30 20 ICED CCS(=O)(=O)CCN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 759374244 MJCLTZNXHWQUJI-UHFFFAOYSA-N 435.506 0.821 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 761037103 LKSFHWRURUMAGP-GFCCVEGCSA-N 425.511 0.848 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C1CC1 761842536 UQSACVRNCAXPLI-UHFFFAOYSA-N 428.539 0.940 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCCO1 773791049 BHSUTJVUNZTBFY-XBVCBVALSA-N 432.502 0.735 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)C1 776135681 GQDSCQCOXWYSMK-CYBMUJFWSA-N 432.524 0.688 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786562474 XTRRPRMNFQKVIJ-QEJZJMRPSA-N 439.440 0.325 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 787557703 CDFZLYXVSRJVHC-UHFFFAOYSA-N 432.414 0.200 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794641082 CJGZQJRMCOSSPG-ZBFHGGJFSA-N 428.514 0.179 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1 797388772 YZCZHNXKKVZSTJ-QTCOBDOFSA-N 435.506 0.162 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802552338 SKKCPNXSMDJJOQ-HNNXBMFYSA-N 447.583 0.030 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 853607471 ZTKPLGSZTCMBJH-CYBMUJFWSA-N 438.462 0.154 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 856683673 HUAHTBXWEWBYSX-CQSZACIVSA-N 438.502 0.786 30 20 ICED CC(C)(C)n1nnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1252383483 ILBAYNGYIZEDFC-UHFFFAOYSA-N 432.510 0.516 30 20 ICED CCN(CCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)S(C)(=O)=O 1313800219 ZUTPCKIBTNKNSF-UHFFFAOYSA-N 449.585 0.498 30 20 ICED C=CCN(C(=O)/C=C(/C)C(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1347176731 OOVCTNMFVPVDFW-IDDMRKIPSA-N 444.575 0.336 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1519531582 YPEXZTBBJSHIDO-RDTXWAMCSA-N 439.517 0.266 30 20 ICED C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541865422 OQGVPSWOAIZJCA-JKSUJKDBSA-N 445.549 0.719 30 20 ICED CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C1CCCC1 1556978379 UYXLKVXTFWSVTN-IEBWSBKVSA-N 447.561 0.982 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)cc1 1588226642 KVRZPJHMPVNUSW-OAHLLOKOSA-N 425.532 0.510 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1618788745 SODAFCVRPSYRHL-UHFFFAOYSA-N 431.522 0.471 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1619738111 XQHNXEKINMWTBX-YOEHRIQHSA-N 434.522 0.606 30 20 ICED Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707794979 RAEDMACPBCOXME-WMLDXEAASA-N 448.553 0.548 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1748135884 WXAXGKPCFNJRHF-HXUWFJFHSA-N 445.549 0.671 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 1749084296 VWNAIFCKLJEXBA-CQSZACIVSA-N 425.331 0.944 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715938 MMZNORFVHZZOSI-OXQOHEQNSA-N 434.518 0.379 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1779269303 CWXLMBFYSUIMQV-YMPNPXLXSA-N 426.473 0.951 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779318271 IODHXXFZBUPUPV-RXVVDRJESA-N 432.452 0.292 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Nc2cnccn2)C1 1779389878 MSIFCAINXUECMC-OZQHCQBDSA-N 429.521 0.829 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CC1 1779444658 NQPPGWWVCKSWJI-ODMQBNIASA-N 445.564 0.460 30 20 ICED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779982700 WIHZMFMLORXPHA-JOCHJYFZSA-N 434.456 0.854 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1COc3ccccc3O1)C2 1782011352 VXCFVAFMGXUYNM-JBYIUTFZSA-N 428.441 0.428 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1784489123 CTERXEBPKORHGK-OWSLCNJRSA-N 430.567 0.630 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784599919 FVMBJTRLSJCBMR-UJNZZBMASA-N 430.480 0.731 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1C#N 1785195914 DTRHNWRGOYAMKU-QFIPXVFZSA-N 439.472 0.665 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1785422202 CZVQBCWDLBYXGM-QHCPKHFHSA-N 437.500 0.736 30 20 ICED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@@H]21 1787426593 MUJDCEMCXRKRFM-ZJZGAYNASA-N 446.551 0.966 30 20 ICED 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 1790868596 JBNCVORLPPTYCS-BEQMWEJSSA-N 438.488 0.552 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccn1)C2 1792569364 WGOZLLANQGPJLB-UGNHIXGNSA-N 439.516 0.697 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1793361078 HKVWOEDODWEXAI-FRQROOTJSA-N 446.529 0.920 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793712279 PDKYJPBQVXZMFH-CWPLJXCYSA-N 439.520 0.303 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783726 CRMSFEBUKUAYBN-VXIBKDFQSA-N 436.505 0.836 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)C1 1799072512 PUHHQRXPQWQKFH-ALXJQNPVSA-N 430.530 0.447 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(C)nn(C)c1C)C2 1799305455 KKYKMHRWWISAKV-UPHUGPLXSA-N 432.521 0.678 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)c1 1799745903 CSJLZQQUBIHYCX-VQICEPBWSA-N 426.448 0.735 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1802577646 JIZQZAFTCNHBPS-JTAQYXEDSA-N 448.527 0.795 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)CC1 1806078783 CSSDUGPMMYGSCW-MAUKXSAKSA-N 433.472 0.645 30 20 ICED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806613715 OWXSWWKDMZANJA-AUSIDOKSSA-N 445.479 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810223551 PRSWEUWHLABUNC-DNVCBOLYSA-N 427.461 0.473 30 20 ICED COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819608145 OGBFGMUFPLHQDN-SJORKVTESA-N 447.540 0.835 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1822027412 NPZKKFCCNBBZBW-KGLIPLIRSA-N 426.502 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@](C)(O)CC(=O)O)n[nH]1 1822404253 MSKMWQXHLBUFQX-KFOCPZAJSA-N 447.492 0.876 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825198697 JKVYDPRDAMKCGH-VIWRWNOBSA-N 435.506 0.720 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1829262183 KCYUCAVUSSAPOG-NRFANRHFSA-N 447.513 0.116 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1829770376 MBQNBOHPLPEWPX-QEVIJRNUSA-N 432.477 0.220 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831399135 PSGQMXJMBLCVGR-WZONZLPQSA-N 425.485 0.861 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1831402812 RXMKUGPIODBSOG-HTOVHUFLSA-N 427.501 0.980 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831409059 JMSQLOIVQOLVNI-QHCPKHFHSA-N 446.548 0.962 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831418892 HTCRWVXZDFYKGF-VGOFRKELSA-N 432.521 0.809 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1831421975 XRQZSZQIOHLFSL-JTSKRJEESA-N 432.521 0.809 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831488025 VDFONCBFSGCSRW-BXWFABGCSA-N 442.607 0.424 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccnc(C)c3)CCO2)C1 1832619924 XIQQKIBFTUGKPP-XXBNENTESA-N 429.517 0.817 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)CC1 1834327450 MQUXRJIAIKYJSB-UHFFFAOYSA-N 439.520 0.115 30 20 ICED Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834932498 HYIBAKZOUZBOAC-PXLXIMEGSA-N 430.557 0.770 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835823833 CZIPQTKMLUSBBV-SFGWALBWSA-N 432.521 0.519 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883736 CWWGXBIZZMWMAA-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837093821 DOWQYURBYDIWJZ-PGRDOPGGSA-N 432.521 0.472 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837108164 SSTVNJRSUXHOOC-HTAPYJJXSA-N 428.489 0.995 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837447709 RXXJFFGKVDTQDH-TZWBQFSNSA-N 436.553 0.731 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488575 LHAVHBZSTWATPH-HSZRJFAPSA-N 442.516 0.554 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1837490704 LRVOZZGNRRDJRD-OAQYLSRUSA-N 433.461 0.149 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837524577 JVDUDEOERZEORP-BROWTRMISA-N 433.465 0.076 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1837731755 JEUVDVVMNQKMEP-AVRDEDQJSA-N 439.553 0.586 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1838583481 FJRJEUZALGNGDJ-VGSWGCGISA-N 429.473 0.673 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc(Cl)n4)C3)C2)c1 1838737974 IDHNKGYILROOGD-IBGZPJMESA-N 430.852 0.714 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cc5cc[nH]n5)C4)C3)c2c1 1839488821 HDJWYWXQZJTDCD-QFIPXVFZSA-N 449.471 0.470 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662631 XNLPXILXLZTNDF-JOCHJYFZSA-N 430.505 0.468 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839844944 ZAXYKYDRQFUEJZ-HTAPYJJXSA-N 427.505 0.940 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1Cl 1839864522 ZHDCBTSOUFIZOU-FQEVSTJZSA-N 434.880 0.547 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CCC1)CCO2 1840115366 WQCGBFMPRWHDFT-JOCHJYFZSA-N 426.469 0.653 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203408 ZYZMXDYPJVWXGL-HNAYVOBHSA-N 447.454 0.890 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1OC(F)F)CCO2 1840745853 UKSUFILVDJFXPE-HXUWFJFHSA-N 438.383 0.446 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1OC 1840814848 IWVNITWCKMSOJK-JOCHJYFZSA-N 444.488 0.863 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840841683 PISWIYFYVWVRID-NRFANRHFSA-N 449.529 0.110 30 20 ICED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)/C=N/N3CCCCC3)C4)cc21 1843998872 BCHVVXAZEVJIRC-YDZHTSKRSA-N 427.509 0.305 30 20 ICED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1846248717 HONGNAWJYMDJAN-QCBCRBAMSA-N 441.525 0.789 30 20 ICED CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 26708335 HTNKILIVCCHIAX-HNNXBMFYSA-N 445.545 0.980 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)c1 31080662 JEMPNGHKRRAMRM-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 409597724 SUCUHKGWWZSJAI-INIZCTEOSA-N 435.616 0.840 30 20 ICED CN1CCN(CC2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 409668693 RCPPKDTYHQQNNB-UHFFFAOYSA-N 433.578 0.665 30 20 ICED COC(=O)[C@]1(C)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 426770159 PNRCDHBTSBNLIH-FQEVSTJZSA-N 434.518 0.419 30 20 ICED C=CC1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 429980546 RXEGPZJGSUDYQW-MRXNPFEDSA-N 437.518 0.795 30 20 ICED Cn1c(NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(C#N)c(=O)n(C)c1=O 432921896 HQMSZCMOTYQTRS-OAHLLOKOSA-N 429.452 0.224 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435828030 RKTRWASDEJHXAC-GOEBONIOSA-N 433.472 0.628 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 441029093 IHCSVJRGOFHRSZ-INIZCTEOSA-N 435.469 1.147 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)C2)cc1 442238074 BMTBCYTVMIOFPJ-CQSZACIVSA-N 429.458 0.343 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1N1CCOCC1 465418687 UTJKUMJHRNVNRZ-HNNXBMFYSA-N 436.476 0.256 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccnn3C)c2=O)CC1 478856415 NLTUISYSDVVXRF-HNNXBMFYSA-N 441.557 0.409 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 480638020 QOGWQRNHJVQFHR-UHFFFAOYSA-N 438.527 0.847 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(COC)o2)c1=O 481587120 NNOBKOQNYXSJAA-UHFFFAOYSA-N 444.557 0.726 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccccc3C)CCOCC2)CC1 483273716 WZBCTFZKJBIJMW-UHFFFAOYSA-N 442.560 0.606 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2=O)cc1 486480743 REFNGFBHBQFEDT-OALUTQOASA-N 426.521 0.546 30 20 ICED C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 498924377 LFKAQGJFHFJSEB-IAGOWNOFSA-N 443.548 0.881 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508829727 VDDOXAVACZZNPO-OAHLLOKOSA-N 428.559 0.479 30 20 ICED C=CCN1CC[C@@H](N(C)c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1=O 513069302 NMUCSFLEEYCNAB-MRXNPFEDSA-N 425.511 0.658 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2=O)cc1 519846789 UGYFGNVYLUVLSW-LJQANCHMSA-N 443.467 0.672 30 20 ICED CCC[C@@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 522589795 NXWSCHUMVCXKGA-KRWDZBQOSA-N 438.488 0.863 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 526037984 MPZVIEFUORRENL-UHFFFAOYSA-N 431.562 0.999 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 527030338 HFWYUDFFIWTAKE-GFCCVEGCSA-N 449.891 0.686 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 531161843 KHKRMFWSKFCZEZ-AWEZNQCLSA-N 433.896 0.542 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543862574 ZEHBUIIVTVFZCT-UHFFFAOYSA-N 434.499 0.721 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 554171338 KNVLQQKAGQZPRC-QGZVFWFLSA-N 436.447 0.663 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 565060494 SYMVVZRVRFHFOO-KZNAEPCWSA-N 431.514 0.967 30 20 ICED COC(=O)C(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 574669277 MWTLHZYASYPBHX-UHFFFAOYSA-N 429.520 0.394 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CCC2 576985094 UDZXEWBVXJPAHY-MRXNPFEDSA-N 428.497 0.291 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765547 SEMCBOXAYPSHQF-HKUYNNGSSA-N 432.484 0.960 30 20 ICED CCOC1CC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)(N2CCOCC2)C1 589497071 MRLBHNWLILEGLC-UHFFFAOYSA-N 436.534 0.223 30 20 ICED C=C[C@@H](O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 590411657 DZTCKBZOBFAKCQ-QGZVFWFLSA-N 426.495 0.821 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccn2)c1=O 590902270 MOZDFHBCFRIRHM-OAHLLOKOSA-N 430.530 0.386 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 612230427 YJIANVWCZFRYNE-SUMWQHHRSA-N 440.460 0.566 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 728573872 YUBANJONMSJCMB-UHFFFAOYSA-N 447.539 0.922 30 20 ICED C[C@@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)CCC#N 729659138 PHJPVWCEUGHDAZ-CQSZACIVSA-N 439.490 0.820 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 730776268 YCBGIVHTDILLCZ-QGZVFWFLSA-N 445.907 0.439 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 732466988 RTJJLRZPOCJYAQ-XDLCVMBESA-N 446.552 0.345 30 20 ICED COc1nc(N(C)C)sc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734750377 STYKCEYJEWRJGQ-UHFFFAOYSA-N 439.567 0.995 30 20 ICED COCCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735590180 OSYSHWLRZXLWOE-XLNRJJMWSA-N 439.538 0.132 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 746592906 OKBIKCYEHPXEQZ-UHFFFAOYSA-N 446.441 0.994 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(F)cc2Br)c1=O 767881722 ABELAVISWUNEJJ-UHFFFAOYSA-N 435.278 0.926 30 20 ICED C=CCNC(=O)Cc1noc(-c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 770988516 XAXSOEFEYRHHQZ-ZDUSSCGKSA-N 432.458 0.905 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 777312413 BPOFDUANGDPCLG-GJZGRUSLSA-N 443.522 0.368 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cc1 784911722 MAMGAIYCQUKGJT-IXPAQYDLSA-N 440.547 0.374 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785658559 DNRXGQRFOASDOA-IEBWSBKVSA-N 426.473 0.387 30 20 ICED N#CC1(CS(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)CCC1 790008158 HEFBABATXSJFMT-UHFFFAOYSA-N 427.504 0.972 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O 794631168 LUGZXGSMLJBUIL-UHFFFAOYSA-N 436.559 0.196 30 20 ICED CN(C[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1)S(C)(=O)=O 795656164 UWYLQZWHCIWTQL-MRXNPFEDSA-N 433.534 0.883 30 20 ICED COC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 796300269 UEJSIDMPRLUWDK-KRWDZBQOSA-N 429.399 0.931 30 20 ICED Cc1nccnc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 799736709 DRCLBNLWWFPREI-UHFFFAOYSA-N 428.518 0.953 30 20 ICED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 803863278 DPXVMENGUDJSAZ-VIFPVBQESA-N 438.849 0.951 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@H](C(=O)OCC)C2)c1 805698464 MSIHRMCUNQOYES-INIZCTEOSA-N 436.486 0.557 30 20 ICED COC(=O)N1CCC(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 807376135 NTSXENHPECQQIF-UHFFFAOYSA-N 425.449 0.981 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 810476285 ZUOHVGAACNTDBW-UHFFFAOYSA-N 426.470 0.117 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cccc(C#N)n2)s1 810650661 XDOVWBGNYWKACU-UHFFFAOYSA-N 428.517 0.615 30 20 ICED C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)CCC#N 811678942 JLXWCYXWMRRCDN-KGLIPLIRSA-N 438.506 0.359 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC2)CC1 812429805 XSURTBYRNYIAPC-MRXNPFEDSA-N 437.504 0.928 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c1 816682768 IHGCASDEHXRGGP-GOSISDBHSA-N 437.587 0.878 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 838167696 YGGAKNZMDBAOHH-UHFFFAOYSA-N 430.486 0.740 30 20 ICED COc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1189922097 OQTHTAFZXKYDEI-UHFFFAOYSA-N 425.445 0.597 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1286960409 NAQXGBSJUCGNRT-NWDGAFQWSA-N 425.481 0.978 30 20 ICED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1504580699 MNUSTWHAVSUIND-YJBOKZPZSA-N 448.549 0.948 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1516861073 KBLJPOKHHCIAOT-PMERELPUSA-N 430.534 0.880 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2n(C)c1=O 1634584744 TVYBYISBFWOZEK-HNNXBMFYSA-N 437.481 0.701 30 20 ICED CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1749181064 JPBUGTWZFCQLDP-QGZVFWFLSA-N 434.522 0.893 30 20 ICED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749808015 RAVFENXQXLBSEB-SCLBCKFNSA-N 441.533 0.589 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1763110628 UROAARYZVLYDQU-INIZCTEOSA-N 439.611 0.396 30 20 ICED CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765789527 MIICRFOJFVBJHC-IAGOWNOFSA-N 437.570 0.588 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779366075 NCVUDACKDDVQPE-FNWMIUPMSA-N 444.536 0.229 30 20 ICED CCOc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1780426316 CDZQRRINRPVTKC-NRFANRHFSA-N 430.509 0.601 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854209 RCELMCXDCDZQJT-SXGZJXTBSA-N 427.498 0.251 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782017946 WBKFESFYYFNNKL-WZONZLPQSA-N 441.484 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N(C)C)o3)C[C@@H]21 1783530176 JKPHXLAHAANPJM-FCLICNRPSA-N 431.493 0.192 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)c1 1783910018 FBLOVYBXBFZJOS-TUFLPTIASA-N 438.528 0.997 30 20 ICED CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784021688 SGMWFOVDBOWDPH-WXHSEDPVSA-N 425.526 0.902 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1784479100 PKNCGMVHWMYEOO-SPLOXXLWSA-N 434.460 0.731 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]3C2)c1 1784917588 VYLXAXWPCUMPAH-GVXVVHGQSA-N 446.357 0.835 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380880 ZVPUOJIGIJXCFR-JRPXNJEYSA-N 433.530 0.926 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786558118 COROEINGKCTZEZ-IHPCNDPISA-N 437.456 0.823 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1788573026 NSQXLVUIVFPNFI-FPSMNIFISA-N 431.537 0.830 30 20 ICED C=CCC(=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 1791278048 MBMUTOIIVAAOKQ-ADHGMGHFSA-N 437.537 0.913 30 20 ICED C#CCO[C@@H](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 1793340221 BHFALQZSJORTDR-AFIMGQEJSA-N 432.477 0.404 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1793533371 BRWBHCVBSSCTQZ-MQYATBHVSA-N 444.554 0.481 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1793593351 HNJWEUQYBIKZMI-JYYAWHABSA-N 448.524 0.488 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1793596182 RDXONARIPHXMPN-XERFUDQDSA-N 429.539 0.834 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797744467 RBTHSELCUZDQKU-IERCBNCNSA-N 445.564 0.449 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798711628 XAPCRZQTIMCXGT-USZNOCQGSA-N 431.415 0.600 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799238025 VAFWDTJYPRWRQU-TWWGPRNNSA-N 442.516 0.614 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800849418 UZAHJISHOQNZHF-HATOLVCRSA-N 440.537 0.076 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1)C(=O)O 1801763280 ZKNVQKXJBLFLHG-QFNVCVKDSA-N 428.489 0.580 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807697813 YRJGFLJWFACWFV-CNWAHWARSA-N 425.489 0.522 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812393199 CLBAONCYLACPOZ-PXNSSMCTSA-N 428.489 0.824 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819361218 RYOTXPQBLAZNBH-KGLIPLIRSA-N 432.481 0.527 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNC(=O)c2ccc[nH]2)[nH]n1 1822197832 VVQAYZTVKRVWAM-HNNXBMFYSA-N 426.433 0.638 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826818669 BLOYHALKNWGRHM-ROUUACIJSA-N 434.585 0.481 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1829764986 ZQFWXDKFLIEOLP-FUMRIQNTSA-N 442.516 0.247 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829807159 KMNCBZSRJWSWBR-HTAPYJJXSA-N 427.505 0.752 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830767723 CUEXGVOFUMPFFO-AVRDEDQJSA-N 435.569 0.209 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(O)c1OC 1831219423 ZWNFVRZSTCTXDM-QHCPKHFHSA-N 444.484 0.893 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222799 HHMFMGBZPLPOEP-JOCHJYFZSA-N 435.521 0.771 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1831388675 ZYUXNAUMGVEVRF-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C)C2)C1 1831391137 ICCUQDGRNLCJBS-AUSIDOKSSA-N 430.501 0.869 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1831410800 DYDKFCKEUNUCIY-XXBNENTESA-N 447.532 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1833075103 UKXLYGXYHUOHSH-JTGQJZMRSA-N 447.580 0.283 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3CCOC)CC2)CC1 1833465592 KIWCMIXHKSUTEH-GOSISDBHSA-N 445.564 0.753 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833506070 OAQZGBACTUDYQR-UQQIOGDDSA-N 446.508 0.027 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833543349 RMYSVBBDIMXIOJ-QGZVFWFLSA-N 434.581 0.759 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1833902963 RQDCJBPVLQCQAM-GWJNGDFSSA-N 448.524 0.282 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834174659 RZISAHAONCDCQY-WGAVVDLZSA-N 435.481 0.019 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1834755435 BRIPVSPQJBKMLJ-OAQYLSRUSA-N 441.444 0.920 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919974 NGXVACHKYCDPGR-OAHLLOKOSA-N 443.504 0.398 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1837311747 MWLKBZZQQYZMLQ-OPYAIIAOSA-N 440.562 0.788 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837397690 SDGFRDBQMZZRIX-VGOFRKELSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837401260 XBRKPCAYSAOTMP-WWMYMODYSA-N 425.526 0.817 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767870 OMYHUKUVBWZAGC-HXUWFJFHSA-N 438.431 0.863 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838399498 BLJSZFBQUBNPOV-FZKQIMNGSA-N 444.550 0.798 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186464 VLJSVCAZRAVCJF-QFIPXVFZSA-N 432.496 0.696 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839240549 HHXWIDVNMPSZJD-XMSQKQJNSA-N 434.537 0.599 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839959332 HLKUVEQMZXCTQF-NMMYMHLASA-N 446.544 0.620 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1840043754 RUUZKZCSZSIKKY-IBGZPJMESA-N 426.347 0.262 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(Cl)c3F)C2)C1 1840044920 HCQNNKYBDNDWFL-IBGZPJMESA-N 442.802 0.776 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840160420 GVQWGJIQRXBBOF-SPLOXXLWSA-N 446.529 0.322 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)C1 1840453312 HFAVYAIIYUFTTI-HFJQGTKSSA-N 447.532 0.878 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840712256 BQGYUQALJSJZAY-SAHWJRBASA-N 442.516 0.895 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840811354 IXGLUOPCNUOZDS-AUSIDOKSSA-N 443.500 0.879 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1842920432 KKKKRDSJWYMEAX-BQYQJAHWSA-N 427.505 0.937 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@H]4CCCS4(=O)=O)C3)c2c1 1845914561 WYMGUEIPQLWIKP-MRXNPFEDSA-N 427.486 0.829 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 410160213 DDIZIFNQNSQYIU-STQMWFEESA-N 431.540 0.238 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 438140366 MZHLDRKQKMDPNQ-UHFFFAOYSA-N 435.550 0.456 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1cccs1 440383822 NWDMIQBGPGDOEG-UHFFFAOYSA-N 440.506 0.750 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@H]1CCOC1 441925259 NNPAXZPCWNFISW-OAHLLOKOSA-N 445.516 0.660 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441953154 XBCOZLZHGIPNNC-HXUWFJFHSA-N 431.424 1.030 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 443050081 OGOJCUUOUWGPRH-MRXNPFEDSA-N 448.526 0.940 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cnn1-c1cccc(C#N)c1 443727501 ARFRGSUHXQPMBF-UHFFFAOYSA-N 438.488 0.952 30 20 ICED CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444507433 OFXWVGAWARJQSG-UHFFFAOYSA-N 437.504 1.081 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(COC)o2)c1=O 481587913 MQCHEYDSXCLFAS-HNNXBMFYSA-N 431.514 0.857 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C3)cc2C1=O 487666060 LWGQGJFEQXEZNT-QZTJIDSGSA-N 443.500 0.927 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 494536198 IBIDBZLELZHWPZ-CQSZACIVSA-N 444.435 0.802 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)Cc3cc(C#N)ccc3F)CC2)cn1 500943967 KRIJQPOMGIIJDS-UHFFFAOYSA-N 441.510 0.704 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N(C)[C@@H](C)CC#N)c(=O)n2Cc1ccccc1 505148875 NJQWYXHXSIQEPI-INIZCTEOSA-N 438.488 0.815 30 20 ICED CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)ccn1 508322942 UBLSDTJDKVEZQF-UHFFFAOYSA-N 434.416 0.452 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 511232569 HSYZYXUFGOLIQN-DOTOQJQBSA-N 429.564 0.989 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 521804151 IJIYBWPMJBCRJR-CQSZACIVSA-N 443.529 0.969 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2)c1N 524296953 XLUYCKWARZYTJR-UHFFFAOYSA-N 445.487 0.585 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1Cl 524749349 LANXNUKVGTWOSL-UHFFFAOYSA-N 429.889 0.544 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2OC)c1=O 532194229 PGYDRBOTBMPDIM-UHFFFAOYSA-N 449.554 0.378 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 538165778 BHDMTMOGEQVTJZ-MRXNPFEDSA-N 428.489 0.739 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 542341337 QVECAIYLTPWZLN-HNNXBMFYSA-N 449.471 0.921 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(NC(=O)CCC)cc2)CC1 569266772 XIDZJZDUJNIXIV-UHFFFAOYSA-N 429.521 0.488 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)CN1CCN(C)CC1 574827838 AOMGCWIOBIRRBG-KRWDZBQOSA-N 430.528 0.346 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 575153214 PKWISIORYIXDMA-AWEZNQCLSA-N 440.460 0.582 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 578557536 AVNTWOUQUVKCKT-LEWJYISDSA-N 431.496 0.890 30 20 ICED COc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1NS(C)(=O)=O 584260953 FLFXNZCQNUXOBV-UHFFFAOYSA-N 438.487 0.855 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2F)c1=O 604270351 WROOEQJZAZUBAC-UHFFFAOYSA-N 432.452 0.058 30 20 ICED N#C[C@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCO1 609269353 XXZLNAGFSDJWGX-ZDUSSCGKSA-N 432.458 0.326 30 20 ICED CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 609914390 WQEPTTHJFNPSAS-OAHLLOKOSA-N 425.489 0.634 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577169 KSMZJFCPPSESEB-CYBMUJFWSA-N 435.509 0.850 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 728536052 GNWBXJKWOUSRMY-GOSISDBHSA-N 446.573 0.757 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 733368879 CCGQFHMHCKATLV-HNNXBMFYSA-N 448.526 0.336 30 20 ICED CC(C)(C)NC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832963 SFJNBERHMQUJAI-AWEZNQCLSA-N 429.433 0.931 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn(C)c(=O)cc2C1 744622592 DTLFERDVKVUKFY-QGZVFWFLSA-N 443.529 0.818 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 750750177 JDPDKHHWGCTMGZ-MRXNPFEDSA-N 429.502 0.372 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755552581 NQBAEXPXWYPGCA-HIFRSBDPSA-N 445.476 0.869 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1=O 757158529 VMLDNZOHDVCBRP-OAHLLOKOSA-N 433.472 0.582 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn(C)c2)c1=O 758052320 BKCKIGNBRDGMFM-UHFFFAOYSA-N 435.431 0.333 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2Br)c1=O 758076618 PTYONVRWNDKLKZ-UHFFFAOYSA-N 448.298 0.260 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C(C)C)s3)c(=O)n2C)CC1 758585392 LJQZLQBIEJNCAO-UHFFFAOYSA-N 431.587 0.694 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758776121 LSDLYIKNYQBYMH-ZFWWWQNUSA-N 429.543 0.859 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@H](O)c4nccn4C)CC3)CC2)o1 760875355 CGEAQMKSUQTENZ-IBGZPJMESA-N 427.509 0.682 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(C4OCCO4)s3)nc2)CC1 761766760 OBINVZWGLRHBRB-UHFFFAOYSA-N 438.535 0.966 30 20 ICED CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)CC3(C#N)CC3)cc2)CC1 766047015 AYJBKQPWEBGKSF-UHFFFAOYSA-N 427.504 0.416 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(I)cn1)[C@H]1CCS(=O)(=O)C1 773657802 QXNKPQSJUDJOMO-NSHDSACASA-N 447.254 0.274 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)c1 785840287 VYMOTYOZHZPRRU-CAPFRKAQSA-N 443.551 0.784 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCCNc3ncccc3C#N)C2)nc1 787775565 QPXLTTBSFUIFNC-UHFFFAOYSA-N 437.460 0.058 30 20 ICED N#CCNC(=O)CNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 795161958 JKPMJIAWPPEJHN-UHFFFAOYSA-N 431.927 0.287 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 802518207 VEFXVPAYYOHLNT-UHFFFAOYSA-N 439.476 0.896 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC2)CC1 812429804 XSURTBYRNYIAPC-INIZCTEOSA-N 437.504 0.928 30 20 ICED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCN(O)C1=O 816753916 RVOAEVQVSMPFNS-WMLDXEAASA-N 441.506 0.647 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)cc1 916640705 IXTSUJIIGBIVNI-UHFFFAOYSA-N 439.501 0.953 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916775514 DJVNGQVNBMAMBW-UHFFFAOYSA-N 439.471 0.432 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)O)o2)c1 918654154 TUEUSYMYOIXFKB-OAHLLOKOSA-N 445.453 0.867 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCC1 919670328 OFQZHPIYBCFIMY-CQSZACIVSA-N 428.536 0.597 30 20 ICED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1117131587 NEBGLHQIJHZYOH-VXPUYCOJSA-N 432.502 0.738 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1296120734 KLROZNVBLKEYLJ-ZWKOTPCHSA-N 430.557 0.269 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1315040624 PRRITAIYTUSYRD-MRXNPFEDSA-N 446.533 0.736 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1319928838 NKJJOCWOWUZBBY-KRWDZBQOSA-N 426.473 0.829 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1512405781 FTOSLNWQTYXVMH-VLIAUNLRSA-N 444.517 0.033 30 20 ICED COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1519173271 TZUUDTZOCIFYID-HXUWFJFHSA-N 449.533 0.466 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1521063063 MEAZGVQKVIJHBQ-YOEHRIQHSA-N 444.558 0.603 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC1(O)CCOCC1 1611678826 NKIYONPRHLROLG-HNNXBMFYSA-N 440.570 0.950 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1611686880 NTGFIEWBRZKLFX-DEYYWGMASA-N 425.534 0.815 30 20 ICED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1)OC 1619606822 CWMVQJZRLKXDCM-AZUAARDMSA-N 442.520 0.911 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)c1C#N 1634181716 RAIWFKVJAALHQZ-CQSZACIVSA-N 446.533 0.222 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1639194434 QHRLOIKFJSKYJQ-BTYIYWSLSA-N 426.498 0.881 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1655722320 INCKYUMFWUPHNH-LBPRGKRZSA-N 448.270 0.902 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1706838200 JOQRHAQYDOGBPB-AWEZNQCLSA-N 434.522 0.686 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1761482716 LJRZADURPPXWIP-BXUZGUMPSA-N 441.455 0.824 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(O)n1 1781042436 AEJXRWKUOAKTAE-ZJBJCVSYSA-N 430.505 0.072 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(-c3ccccc3)n1)C2 1782010125 LADNXCLQHBZOJO-VGOFRKELSA-N 437.456 0.483 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056887 JRZRCAUPHCMJGR-OAQYLSRUSA-N 429.546 0.794 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810871 KGNSJKSRBRQUFS-PGVBMLAISA-N 433.574 0.770 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565166 PNRVQRAYDXUEQW-YADHBBJMSA-N 449.504 0.551 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c1 1783912930 LCQZUFVZRBMQDT-VJANTYMQSA-N 426.473 0.579 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1785522761 HRXZKUNHCSXYFA-DOWHCJKDSA-N 439.509 0.935 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)cc1C#N 1786809363 XLHGSFVAFZGDNB-IEZWGBDMSA-N 442.520 0.422 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](N)c3cccnc3)[C@H]2C1 1786926730 ASIVJYSOLRDTCJ-HAGHYFMRSA-N 442.564 0.733 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4ccco4)[C@H]3C2)c1 1787082676 JVQKKAQODPLUQT-MPGHIAIKSA-N 425.445 0.503 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247358 RYLYBUKBZZLOIX-CMOCDZPBSA-N 446.592 0.899 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1790571703 NRHBAKZUYCJYBU-VGWMRTNUSA-N 427.571 0.251 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791234951 WKNAZUCRZRWJBA-JIFZMYKYSA-N 432.517 0.760 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2C1)C(=O)O 1791984331 DUJHIDGDVDIBNL-UPWFSPPHSA-N 442.516 0.970 30 20 ICED 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)OC)C1)C2 1792490074 JVTGTHNWEKJSSD-HOYBVZGFSA-N 447.532 0.414 30 20 ICED C=CCO[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 1793355514 KBLMWSWBEFTVNV-KSWRQPAISA-N 441.525 0.053 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984255 KPNPLPBIJMWJIH-QKPAOTATSA-N 436.557 0.967 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796717877 NCAJLOFOKWPITJ-VWPFQQQWSA-N 432.433 0.240 30 20 ICED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2)c1cccs1 1796895791 QWCGEAZUPVVOAN-NFGRIRSPSA-N 433.530 0.776 30 20 ICED 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)[nH]n1 1798651587 ONQOIKGPMDTHBW-KYHPRHEASA-N 445.520 0.838 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1799305507 NLSGHCMDVGBQFY-MFCZKXCZSA-N 430.505 0.614 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128022 JNLHBBAUGISDRL-JSJNYSNDSA-N 445.564 0.495 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1802476651 LVRGTWYMBUPDIW-CMPPFHAOSA-N 427.461 0.054 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1803548516 LIUKGRMVIXDCPJ-IMFGXOCKSA-N 428.489 0.968 30 20 ICED CC(C)c1nc(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1804414907 ZZXBWEGALMEUKW-FOIQADDNSA-N 425.445 0.925 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810249710 ODBUHQCPUMEHPT-MUGJNUQGSA-N 446.548 0.311 30 20 ICED Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2nccn12 1812171461 XHVKANRMUHWGJQ-OXQOHEQNSA-N 432.440 0.840 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176377 UTYHXTFSQCVXDB-LDBYXDLTSA-N 426.473 0.604 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1814035018 BMYVUTRMVXLFKW-WIYYLYMNSA-N 435.484 0.772 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1814063388 DYXXSHZBGJIYSE-QTDGGUCWSA-N 449.511 0.761 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668458 FSOQNSRWPTYURE-ZJUUUORDSA-N 444.477 0.086 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393185 JEMDIRQAZPQVAM-DXRSZSRVSA-N 429.529 0.713 30 20 ICED COc1ccnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)c1OC 1821799880 TTXBXKNAEQZIQV-JTQLQIEISA-N 430.442 0.869 30 20 ICED O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1822530035 RLHJDXXDTTWVCS-QPNANDPSSA-N 441.492 0.799 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824491023 LGVBCYPAJGSKIO-ZHALLVOQSA-N 441.594 0.972 30 20 ICED C=CC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829288917 PZZMCNMEZHMJDW-SBUREZEXSA-N 445.516 0.961 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)C1 1829635599 LTCBGWDYFMMTGE-QHCPKHFHSA-N 426.517 0.509 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1829764486 NDQSYWSIXZMXSG-RHVSLNNASA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1829770570 YQLOJRHRGHBGGM-QATSOJGNSA-N 444.488 0.019 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CNCP(=O)(O)O)CC2)c1 1829774836 BMKFCUWFKMJWNV-KRWDZBQOSA-N 437.437 0.844 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4O)C3)C2)cc1 1829903948 GGYHKLGFSRDLJH-HSZRJFAPSA-N 436.468 0.972 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1830056575 GDLQPGFOTLSUCI-JOCHJYFZSA-N 438.488 0.887 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831425439 ULGJRMDHMPTRKR-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1831427179 PYFXHQBAXJCSCQ-RZQQEMMASA-N 438.550 0.991 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832812919 IVROZWRNDNQMRP-AWTNKVQXSA-N 449.508 0.328 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1833232261 NYWHZUDZMQWTGL-OAQYLSRUSA-N 447.612 0.936 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833660322 VUPLFDZCTHVMKC-VGSWGCGISA-N 432.521 0.809 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834720923 GSRXXYCHMGSLEV-UTKZUKDTSA-N 427.549 0.691 30 20 ICED CCc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1Cl 1834905733 VXGISGQPCCMPHH-UHFFFAOYSA-N 435.912 0.899 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835103251 ZRQSBYZIBRVOKF-QFIPXVFZSA-N 426.469 0.448 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835197243 UUJWISIXBZUPBW-QHCPKHFHSA-N 443.500 0.820 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835356921 BRNSWDJOLFNUEE-IBGZPJMESA-N 433.421 0.372 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835362940 XRHBIIPNRKXEBB-RTFZILSDSA-N 438.484 0.657 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834212 ONIUUALEBRPQFN-MSYCTHLASA-N 446.548 0.501 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837327128 JKLKKKATTHGSET-FQEVSTJZSA-N 435.550 0.958 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1837394940 LVSLSNLDMABIIT-AOMKIAJQSA-N 448.520 0.030 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837447850 VHAZNOFVMZQEKF-MLAAEQDMSA-N 430.509 0.351 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837488531 JDQAFFNBJONONR-NRFANRHFSA-N 433.530 0.912 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837527672 SKYBTCVCSOCSNF-JITOEGQZSA-N 449.508 0.177 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918492 VNJJJBNLQSPZHT-LBPRGKRZSA-N 434.522 0.348 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(-c5ccncc5)[nH]n4)CCO3)C2)CC1 1838011458 QFJQCKFOGGBCEI-JOCHJYFZSA-N 436.472 0.845 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n[nH]1 1838732757 ZQHKASMCDKWZRP-HXUWFJFHSA-N 426.433 0.196 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736101 JKMNDWATXJNINE-HXUWFJFHSA-N 429.433 0.405 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827044 NVBDHOKXIUJGAJ-MGPUTAFESA-N 436.465 0.566 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060248 LBHSITCQPWDLGD-VCOZGABYSA-N 429.521 0.552 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839223039 JQZHVFLJIBANGT-LAUBAEHRSA-N 435.525 0.908 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487675 DUDPVYLJVPDXFA-VGOFRKELSA-N 440.504 0.503 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840161547 SZZCWXRIWGXKPP-QVKFZJNVSA-N 448.545 0.115 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840913218 RJASUCTUWPCHSF-FSTVOOFJSA-N 433.505 0.474 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1842911766 UGESEMYRMLRKHI-OAHLLOKOSA-N 430.509 0.945 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3nccnc3C(N)=O)C4)c2c1 1845582053 KKHIHUCOZWNVON-UHFFFAOYSA-N 430.428 0.454 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1c(=O)n(C)c2ccccc21 1847262306 STIAMUQPZYEXKD-IDPBEMBBSA-N 437.500 0.400 30 20 ICED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c1C 105947635 ZNYXMVFPMZPHIB-ZIAGYGMSSA-N 439.538 0.678 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 427691507 XVNJUBIVEVYPGC-CCYBSCMUSA-N 444.495 1.011 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@@](C)=O)CCC2)cc1 437136362 LLHJOJPENKDOKW-HHHXNRCGSA-N 427.548 0.849 30 20 ICED CS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c([N+](=O)[O-])c1 438322414 NQZXKWHWAWKYFN-UHFFFAOYSA-N 447.477 1.463 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4(C#N)CCC4)c3c2)C1 438912134 NUIVEERCWAQQAW-AWEZNQCLSA-N 432.506 0.843 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(C(N)=O)cc1 440385038 RDNLLCCROLSZPY-UHFFFAOYSA-N 447.476 0.490 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1F 441588099 IZWAMXFXGIGTLX-QGZVFWFLSA-N 425.420 0.355 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc([C@H]4CCCOC4)nn3C)CC2)c1C#N 448268464 UCQLDYWKMTVIFM-HNNXBMFYSA-N 440.508 0.515 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472187957 DCHDCXAVUKDZBD-UHFFFAOYSA-N 438.535 0.019 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 475339316 PVSOTDJMLDYRNC-ZWKOTPCHSA-N 446.529 0.201 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 481348317 PNCJAAFLXRAOFF-AWEZNQCLSA-N 441.510 0.728 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 484631654 TZDSBGWMMNXZCI-UHFFFAOYSA-N 430.511 0.916 30 20 ICED N#Cc1ccc(Cn2cnc(=NC(=O)C(=O)NCCN=c3[nH]c4ccccc4s3)[nH]2)cc1 490794839 JHDBDJSWGJZIID-UHFFFAOYSA-N 446.496 0.818 30 20 ICED CC(=O)N[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C(N)=O 503272486 ZODWJPASMLJKDA-HOTGVXAUSA-N 436.310 0.538 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 508945019 BIILMOHMPQZUIY-UHFFFAOYSA-N 436.255 0.898 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)cc(C)c2)c1=O 523465393 MEEQEVGADRXDAU-UHFFFAOYSA-N 429.542 0.829 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)C1=O 549695659 LYRUJUYVVFMCEC-UHFFFAOYSA-N 427.417 0.699 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)cc1 553602966 XLAGCIXIKCIPLB-UHFFFAOYSA-N 439.560 0.964 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 557445756 CYOAJFNXSLYXDC-PZJWPPBQSA-N 425.533 0.966 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 559029527 PJFBFUHGNGLCGX-UHFFFAOYSA-N 442.860 0.622 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 560055611 YHAVEMLYHOZIBF-UHFFFAOYSA-N 448.483 0.713 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 569861281 BPRLFZHMYQRLSH-UHFFFAOYSA-N 444.455 0.525 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 570768843 JJUKRVHUCBOJEI-UHFFFAOYSA-N 436.896 0.463 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 589421986 NRTYSEUNQHMCSF-UHFFFAOYSA-N 429.458 0.880 30 20 ICED COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 589427632 QCNVUZXBHFNRCH-UHFFFAOYSA-N 440.460 1.306 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609168321 CFSOYGKFIREKFE-OAQYLSRUSA-N 427.549 0.629 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 726042825 HEQHGJQDJDYXSC-UHFFFAOYSA-N 425.800 0.958 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cnn(CC)c1 726180286 FLAQMDXGSAXMJM-UHFFFAOYSA-N 426.527 0.686 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cccc(C)c3)c2=O)cn1 732561654 SFWJHHIGXIEHTB-UHFFFAOYSA-N 449.536 0.786 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1OC 744030836 MQXDSLWJXYHYMA-HVPFBLEYSA-N 442.472 0.840 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521400 IDOMREZQRMUCMC-DZGCQCFKSA-N 448.501 0.934 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 746095291 NVUZOLFPFANAFY-HNENSFHCSA-N 436.465 0.575 30 20 ICED Cc1c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 748428645 ORHACWQXMSSHMV-CYBMUJFWSA-N 427.461 0.829 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 749634687 VUVQPHUMTODDCW-MRXNPFEDSA-N 425.449 0.874 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 755537317 MQTBXBFABIXCRC-DOMZBBRYSA-N 436.490 0.904 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758644993 OBCJNBGSYSMQLV-KFWWJZLASA-N 430.527 0.855 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccn(C)c2)c1=O 763461385 YBJXYOUOWKWGPD-UHFFFAOYSA-N 435.509 0.478 30 20 ICED COc1cccc(-c2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cs2)c1 771898137 UYSXJLZGNTXILQ-UHFFFAOYSA-N 435.487 0.529 30 20 ICED COCCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn(C)c2)c1=O 772279936 SFNANFOBDCDPFQ-UHFFFAOYSA-N 430.436 0.954 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)c1 783464256 ORBSZSADLHCFQS-UHFFFAOYSA-N 444.451 0.954 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C[C@@H]2O 787942585 DILVOAYXSGEJSQ-INIZCTEOSA-N 431.470 0.930 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 800114870 JGDAEBIZAYYKNS-HZPDHXFCSA-N 443.570 0.866 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc2c(c1)CC(=O)N2C 804572534 XJHCFFQVHKRNMB-HNNXBMFYSA-N 432.484 0.998 30 20 ICED COC(=O)N1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cn2)CC1 818903450 LAILALMYRABHRQ-VHEBQXMUSA-N 428.449 0.825 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c1 899462210 WXTLSQVRRPHPON-UHFFFAOYSA-N 446.529 0.973 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)CN3CCCC3=O)CC2)cc1 1116318889 BALJQAKEXIMBFZ-QGZVFWFLSA-N 434.518 0.058 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCO2)C1 1302480188 QVDUPQJIEXEWCH-JKIFEVAISA-N 428.490 0.232 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1302988130 WBIKPGCSVPEFMS-CQSZACIVSA-N 430.419 0.412 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1314996528 VWZHOLPDFHBIOA-INIZCTEOSA-N 435.492 0.868 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1326382401 GZEFSCKSIMPEIO-MJGOQNOKSA-N 441.532 0.597 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)C[C@@H](C)O1 1540846066 NQPCRUJJZUOBHX-BETUJISGSA-N 427.914 0.718 30 20 ICED Cn1nncc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1554367414 SPQHSZSXHLSDQT-MRXNPFEDSA-N 441.883 0.767 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1695504980 KBDBFFRFTYZZCT-OAHLLOKOSA-N 425.493 0.874 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS2)C1 1698313126 SYILKNUCJNLLIA-GRDNDAEWSA-N 444.558 0.949 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710417856 UTMMLYXSFARKBK-BEFAXECRSA-N 441.554 0.608 30 20 ICED 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443.504 0.921 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840540655 BMQGYMMNHCYITP-PGRDOPGGSA-N 429.473 0.430 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841602854 YSSFFCOMVKEMFQ-ZHRRBRCNSA-N 435.521 0.600 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1842919292 PQRUJTOFJASGIP-UHFFFAOYSA-N 433.534 0.584 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cncn2)C1 1846602940 OJGYCWTUCBUOSJ-JKSUJKDBSA-N 430.509 0.959 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)c(C(=O)OCC)s2)c1=O 24788964 WXDZYNITWJNVIA-UHFFFAOYSA-N 434.474 0.729 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 409543260 APBYZAGNAYJKEK-UHFFFAOYSA-N 440.522 0.568 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 409564515 ADMSDDLAWVQWPD-CQSZACIVSA-N 440.551 0.596 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437664266 UMYHCQPGGUWUSF-PKOBYXMFSA-N 437.566 0.814 30 20 ICED N#Cc1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 439093232 RZNYKDBKVUICCA-UHFFFAOYSA-N 426.442 0.698 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)c2c1 439103620 VUKSTCIQDYPJHJ-UHFFFAOYSA-N 439.472 0.631 30 20 ICED CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 441567316 PHGBTJCOIYDBPK-RTBURBONSA-N 429.569 1.531 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCOC1 441936525 QUHANRHRNMGHAB-AWEZNQCLSA-N 433.555 0.582 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 442002577 PCBLHMQRKNCZBN-CYBMUJFWSA-N 425.367 0.369 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1cccc(NS(C)(=O)=O)c1 446801037 GYBXEYUGAFIERQ-UHFFFAOYSA-N 439.457 1.396 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCC[C@]5(CCCCO5)[C@H]4C#N)CC3)ncnc21 447903880 OLSDZVRBUKXBEN-XMSQKQJNSA-N 438.536 0.939 30 20 ICED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468443048 MALMKZCLEKDPKG-UHFFFAOYSA-N 425.489 0.938 30 20 ICED Cc1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCC#N 475342316 JHRNOUXTRJATAZ-HNNXBMFYSA-N 447.469 0.695 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 477366621 OEEFSQDTMCRPCC-GCJKJVERSA-N 439.516 0.839 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 490093526 PHHJTYNFSMSQGI-OAHLLOKOSA-N 427.505 0.352 30 20 ICED COC(=O)C1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 503186523 KLGUUYRMAACSSG-UHFFFAOYSA-N 434.518 0.467 30 20 ICED Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1CCC#N 504265626 DVPFTFITMUHWDK-UHFFFAOYSA-N 439.519 0.927 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCN1Cc1ccccc1 512610871 FTPLOFRBWICFLG-UXHICEINSA-N 449.577 0.894 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 516699484 XBDWGIAZOWTHKI-IRXDYDNUSA-N 442.559 0.959 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC(C)C)c3)c(=O)n2C)CC1 520065249 NRSQLZIUMPIDHT-UHFFFAOYSA-N 440.569 0.901 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 520647288 OAYBUIQFTYAMBH-RTBURBONSA-N 426.521 0.096 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 537486942 RXZVYMYKEGKFSD-UHFFFAOYSA-N 428.898 0.481 30 20 ICED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 542065114 GZPLQKNTLQKRIY-UHFFFAOYSA-N 439.476 0.686 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 544168652 GJOXSHBHBMBQJX-OAHLLOKOSA-N 438.506 0.310 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCCN1C(=O)NC2(CCCC2)C1=O 547862266 URUPTQXBWGWLRM-UHFFFAOYSA-N 430.513 1.082 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cc2)ccn1 562907041 YKVLDJBJUPUKDC-MRXNPFEDSA-N 444.469 0.692 30 20 ICED CC1(C)CN(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 564066563 JVKCNFUOVWLRGF-SFHVURJKSA-N 427.505 0.397 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 574712431 FFFVOPQLRTVJPW-UHFFFAOYSA-N 441.513 0.937 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 579879939 BFPPDKSEGSHKKK-MRXNPFEDSA-N 448.545 0.913 30 20 ICED CCn1nccc1CN(CCO)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587653337 GWAQVEGDTABJIS-UHFFFAOYSA-N 425.493 0.276 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O 589160552 JBSLXEKLPGMRQJ-UHFFFAOYSA-N 448.570 0.362 30 20 ICED Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(CCC#N)n1 608927157 MDPHFKIHIKQEAG-UHFFFAOYSA-N 439.519 0.927 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 609038477 PLWMKPVWKXBPHB-UHFFFAOYSA-N 435.509 0.208 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](C#N)c2ccccc2Br)n(C)c1=O 609591207 QPSPSZXTRNKRSK-CYBMUJFWSA-N 445.277 0.967 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 609671511 BMURDHADWDWAOE-SFHVURJKSA-N 440.485 0.673 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 731754427 YCFWRUKZHRWEMT-HMMYKYKNSA-N 445.567 0.949 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 731863311 UBJBKLJEWHLAGA-UDJKBAMHSA-N 448.501 0.400 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733884994 OKDDTDRFTHDYQP-FMQUCBEESA-N 448.501 0.445 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCCSC 743726034 BLAINZHPAMFFOM-UHFFFAOYSA-N 438.600 0.694 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 747993147 AKVBCYOPINSFAB-UHFFFAOYSA-N 432.502 0.153 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C#N 748571922 JDUXLVXDDMOZCW-UHFFFAOYSA-N 432.842 0.830 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCCCC1 760387572 CRVWNAKBINZNTE-UHFFFAOYSA-N 425.488 0.751 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cc3cccc(OCC#N)c3)CC2)CC1 761129451 ICDRBKPKKRNODT-UHFFFAOYSA-N 427.549 0.828 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 767628087 PETKRXUSHLXYCR-GFCCVEGCSA-N 448.482 0.790 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767628126 PVMLGJWWECIVHH-STQMWFEESA-N 444.469 0.894 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)CC1 776309047 XQDUMDPTKISKMK-UHFFFAOYSA-N 433.530 0.337 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)C[C@@H](C)O1 781983996 HAUMHEMTDQEVKR-ZIAGYGMSSA-N 446.489 0.782 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 783479741 NKVGWAACZVFKCR-LPHOPBHVSA-N 433.530 0.667 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808035501 AUYZFVXUTGMYCG-FUHWJXTLSA-N 442.520 0.975 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(C4OCCO4)CC3)C2=O)cc1 808237083 BPGJCSURFYYJBA-SFHVURJKSA-N 426.473 0.387 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCCCCC4)O3)CC2)c1C#N 809674861 GXGDTNOBLDLSSB-QGZVFWFLSA-N 444.536 0.831 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 915630491 BTZVRWMMQYXOLK-UHFFFAOYSA-N 432.546 0.224 30 20 ICED COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 1307775865 NODMRMOVFLUZMS-UHFFFAOYSA-N 428.489 0.554 30 20 ICED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CCOC1 1504047324 IZPDQPUIGADSSO-KSSFIOAISA-N 426.543 0.824 30 20 ICED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1618526398 JEFFAXOIXVCCNF-HNNXBMFYSA-N 425.493 0.813 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC(O)CC1 1692536345 COKVCTZOHGBAOE-GOSISDBHSA-N 444.584 0.440 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCOC1 1741675246 UPVBXKCOOOUMQE-NRFANRHFSA-N 440.508 0.161 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1750390573 SAZHRPOIWMWEPZ-CVEARBPZSA-N 441.579 0.745 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1769303174 ZDNUIONJJXFJSY-UHFFFAOYSA-N 425.493 0.671 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1778941667 CLSGTQLIRUPPOM-UZUQRXQVSA-N 438.484 0.595 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1778972077 SQFBIMBTSHHCIU-HTAPYJJXSA-N 431.489 0.869 30 20 ICED Cn1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)cn1 1779363654 GXTQQFMNAZPHCS-USLBPWFCSA-N 430.553 0.948 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1780177807 KDSDAUGPCVKVHQ-NFBKMPQASA-N 442.564 0.651 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1781265595 RTOWBOBYXMCIJF-OAQYLSRUSA-N 430.461 0.133 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782717621 PYIMMLVUJRIICH-GPMSIDNRSA-N 431.555 0.736 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C[C@@H]21 1784483729 JNHRFJDYPHPDKL-CAMMJAKZSA-N 425.489 0.669 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1784485359 JQILRCQXBABSRB-NADOGSGZSA-N 431.533 0.405 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785228865 HOAQWBRAQKKQJR-SGTLLEGYSA-N 430.523 0.991 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1785424683 HKIOOCDJDNOKKA-NRFANRHFSA-N 425.445 0.535 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785546577 HOAACOOUSVPSQL-MRXNPFEDSA-N 433.502 0.888 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1786858530 YTVQLMKMLSSYIN-SZMVWBNQSA-N 439.520 0.604 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1788573259 ZGKPRWWQWYGHKE-OYSPMZIOSA-N 427.505 0.896 30 20 ICED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788626242 OUEOIIDDAZSMSQ-XSLAGTTESA-N 443.552 0.539 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1789890280 KYWMQCGJDWMRGS-BQFCYCMXSA-N 447.488 0.499 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1792631339 PAASNVVROIZHQX-YWVIFJGQSA-N 449.471 0.324 30 20 ICED C=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)CC)C2 1793592453 IVEHOHOIBDIWQR-NNXHMXCWSA-N 425.526 0.816 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795330078 ACVXBLQNUKVDTA-RDGPPVDQSA-N 449.548 0.919 30 20 ICED 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](O)C1 1795411316 FLRMZPXUPQOWFQ-QEOTZNIISA-N 448.520 0.108 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1796316340 DFKKEFRWXXNBHA-LORHWOILSA-N 432.908 0.728 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796350182 VJYQYLUUGAOBKQ-ZSBFGKGUSA-N 439.428 0.042 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2)[C@H]1SC(=N)NC1=O 1796426906 KPMKLWMBXFKWHJ-ZQOQDGPXSA-N 441.513 0.564 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796574342 WLVJZYDKFZVAES-YVSFHVDLSA-N 431.493 0.530 30 20 ICED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CC3)C4)cnc2s1 1797063041 GEKJHWQHZHIDBO-AGGWBTHJSA-N 427.486 0.571 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c1 1800393163 RXNDHXAMXYQAAW-UKBAYJJMSA-N 447.513 0.347 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1800545855 KFEUDFUPPKQDCB-CRWXNKLISA-N 433.452 0.631 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]1c1cccnc1 1802538325 KPTFPBQODCFTLN-RYQWKWSKSA-N 441.532 0.861 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1803552884 IVCHHUVJZKNHNV-SZVBFZGTSA-N 431.562 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961640 VAZXWZVZGGXEOM-XLIONFOSSA-N 426.477 0.889 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1810236000 PHXNEWOCFJPBRK-ISARSNTHSA-N 429.521 0.833 30 20 ICED O=C(C#CC1CC1)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270263 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C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831391984 HJZOQXVBVCSKCY-ZHRRBRCNSA-N 430.505 0.017 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1831405653 GCOFUPGNDCAQSF-OAQYLSRUSA-N 438.500 0.920 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831433602 JXPXGVFTALQWCD-KKSFZXQISA-N 434.493 0.162 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833705132 JBGZOHFNVXQCEF-KRWDZBQOSA-N 425.599 0.070 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)s1)CCO2 1833951727 IWRFNOWLMYUILA-NGXITPROSA-N 433.530 0.985 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)c1ccccc1F 1834765245 BNUWWPDEIZUXBY-FGZHOGPDSA-N 446.479 0.547 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)[C@H](O)C=C)CC2)CC1 1835830831 QTGSWUFOPNXFHR-VQIMIIECSA-N 434.581 0.822 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc4ncsc4[nH]3)CC2)CC1 1835852811 DPIARHOSOWKZHH-UHFFFAOYSA-N 429.502 0.898 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836969596 AFMCBTBHXHBHDL-HTAPYJJXSA-N 448.520 0.309 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837398630 GMPJPKHDEOZCSQ-VGOFRKELSA-N 443.504 0.372 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C1(O)CCC1 1837439668 ZXOHAHWRJVRFDI-ORHXZUFZSA-N 436.553 0.466 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531243 ZZXFEVKILIBHRP-IOKPPIHOSA-N 449.508 0.177 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(OC)cccc3OC)CCO2)C1 1838880887 PWXXMYDRZQOQHG-UZUQRXQVSA-N 446.500 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C)CCO2 1838897132 SNIXEVHMWNSPOD-AXKGWLQCSA-N 427.501 0.923 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1838949749 RFSZICACOORDGH-RTBURBONSA-N 441.406 0.942 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1839173237 GAFBHADWCBMNQB-OAQYLSRUSA-N 426.510 0.767 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839225505 LEGMROXRYVFIGN-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227131 KDCCVLWZWMVUBE-XGHQBKJUSA-N 425.526 0.817 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581066 CIRFGJGSTZCZEV-ZHRRBRCNSA-N 432.521 0.570 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cc[nH]n2)CCO3)ccc1F 1839722110 DTGRDVADTFQYTQ-JOCHJYFZSA-N 441.463 0.662 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839862232 UOEBXVOHGJTMDX-AOMKIAJQSA-N 428.489 0.520 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839887943 URQSAVJGDHXXGN-PXNSSMCTSA-N 438.475 0.619 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840294620 GHHDYWOWQJKPBP-XLIONFOSSA-N 426.535 0.214 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840295513 SSXXYFHBBWXZRQ-GOSISDBHSA-N 433.427 0.315 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384619 DEEPCUISWVHLLA-XMSQKQJNSA-N 434.537 0.693 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497334 UTDQXNDUZGNWMK-PGRDOPGGSA-N 433.505 0.359 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1840788726 UVNGOIOMQDAREQ-JOCHJYFZSA-N 428.489 0.762 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840843856 PJPBBWPTJYXDSC-OAQYLSRUSA-N 441.444 0.955 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1=O 29494892 PPWAUYDLCWZGLC-UHFFFAOYSA-N 425.445 0.309 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 30665972 VJDCRUAUMAAINV-ZACQAIPSSA-N 436.534 0.824 30 20 ICED COc1nc(N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)ncc1Br 409496790 BVBAJVOCLDXWQE-NSHDSACASA-N 433.332 0.706 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 409552680 LYFBPWUTHNFAJK-CYBMUJFWSA-N 443.551 0.321 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(CC)CCC#N)C1CCCC1 410427729 QWBVLLSEUVTAAV-QGZVFWFLSA-N 448.615 0.685 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H](C)C(=O)N4CCCC4)CC3)CC2)o1 438514058 KBJZXJHYYATITQ-QGZVFWFLSA-N 443.552 0.132 30 20 ICED Cc1cccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1C#N 442004910 XQQVBQWKXFJROH-UHFFFAOYSA-N 430.486 0.734 30 20 ICED CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1(C)C 443126397 HWIBDCHGQAIOSO-UHFFFAOYSA-N 443.939 1.478 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccccc2O)CC1 460583915 HIWGGSCKYQCRHD-UHFFFAOYSA-N 431.456 1.440 30 20 ICED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 465480739 XIFHJAIALFSZLA-UZLBHIALSA-N 434.500 0.985 30 20 ICED CN(CC(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 467602089 MZMGHNDHWNGRAV-YMGMXPECSA-N 435.531 0.244 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 469576421 LDUIOEYJVLNGBY-UHFFFAOYSA-N 445.476 0.924 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475200237 BVNCWJJQZKOXMQ-IYBDPMFKSA-N 438.488 0.988 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 478892034 CNQWRMHGKAFHRI-GOSISDBHSA-N 436.534 0.360 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 480446689 LLGUZQHCIZPFMK-HUUCEWRRSA-N 433.534 0.036 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n(C)c1 487133515 XUEQXSHIVGZTPQ-RBZFPXEDSA-N 427.486 0.761 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCC#N)CCN2CCOCC2)[C@@H](C)O)cc1 499836933 JSFWTBQLBMZJMK-MJGOQNOKSA-N 438.550 0.097 30 20 ICED COc1ccc(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 507427554 FSWPDJGHGUUOJF-UHFFFAOYSA-N 444.517 0.684 30 20 ICED CCCc1c(NC(=O)C(=O)NCC(=O)NCC#N)cnn1-c1cc(F)c(OC)cc1F 508944617 YZFAOCDHWNVFLB-UHFFFAOYSA-N 434.403 0.806 30 20 ICED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 533061387 WMUSVNBCLDHLFO-VUCTXSBTSA-N 426.926 0.626 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 542292892 RFENBJCWKJTKFA-KRWDZBQOSA-N 444.488 0.619 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc(OCC)n2)c1=O 547961932 DVJRTUYWUYHODO-HNNXBMFYSA-N 443.525 0.849 30 20 ICED CNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 550726711 GOXJLSKJKGDWMZ-LJQANCHMSA-N 433.468 0.846 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 550895554 PVWGUGSYAOEQRB-UHFFFAOYSA-N 442.564 0.381 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)CC1 555866639 JWLMCEAWDWMETQ-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 556668854 DBEXSSMKUAMNJP-AWEZNQCLSA-N 427.484 1.036 30 20 ICED C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 558982027 WPWGGZVFQDGDCQ-HNNXBMFYSA-N 426.477 0.685 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571697164 RIPSXETVEZIMCO-HOCLYGCPSA-N 428.536 0.061 30 20 ICED COc1cccc(N2C[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2=O)c1 578460198 YFLIQGMZEBDASX-CYBMUJFWSA-N 439.476 0.185 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)CS(C)(=O)=O 588869894 VFJTWAATVHERSL-WMLDXEAASA-N 434.518 0.057 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1F 589157123 KRLOQAWEYFOOCD-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 603986370 YMGMQGQQWSOWGL-UHFFFAOYSA-N 427.482 0.133 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 726042940 PMVPGGILCSEAFL-UHFFFAOYSA-N 427.457 0.988 30 20 ICED O=C(CN1C(=O)COc2cc(Br)ccc21)NCCN/C(O)=C1/N=CC=CC1=O 731863491 XLPMJIIASOFYJQ-ZCXUNETKSA-N 449.261 0.817 30 20 ICED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)N1CCS(=O)(=O)CC1 732910867 UJBKHNDLYRBDBZ-OAHLLOKOSA-N 446.510 0.904 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 743917523 QRDCFFNLTNYVNT-VKWHMPGMSA-N 433.534 0.791 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 747245574 CBYLBNSAQNZSMY-HAHDFKILSA-N 438.510 0.986 30 20 ICED N#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 748320266 AGXCECKOMYAUTK-DOTOQJQBSA-N 446.529 0.975 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 749703664 KXUXSSXZHOPXIC-MRXNPFEDSA-N 448.495 0.462 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cn1C 750620948 MDTCJTZXONYPMG-UHFFFAOYSA-N 425.511 0.625 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 756325962 SDHMZIUOOULUQS-HZSPNIEDSA-N 425.507 0.838 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(COC)o2)c1=O 758069534 ZJJLQFNTYFWCHM-UHFFFAOYSA-N 429.523 0.361 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763015521 UTMGMIPJSYXDSM-UHFFFAOYSA-N 444.875 0.473 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1Cc1ccon1 765145316 HOGQIJPRCYROPU-UHFFFAOYSA-N 445.526 0.285 30 20 ICED 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C[C@H](S)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 1800992565 NWKBGAZYCAHARP-FQUUOJAGSA-N 431.530 0.853 30 20 ICED N#CCCC(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1806861806 AVSJCUBQZWDHQB-YLJYHZDGSA-N 433.534 0.817 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)c(C(F)(F)F)n1 1807831406 HIUTWSOCWFWFRB-DOMZBBRYSA-N 449.389 0.997 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@H](NC)C(=O)O)sc2C1 1815082139 TXPUUXQQBIQPBA-YPMHNXCESA-N 438.506 0.627 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1819855641 QGNLMOCQXLGAOY-JSGCOSHPSA-N 434.474 0.854 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032440 LZAXVNORLMNMBS-GHMZBOCLSA-N 430.490 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1823744598 XFECUOZIUFBRAX-AHHGJTGPSA-N 433.553 0.057 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824503449 FASRNFDDTGQCFR-WMLDXEAASA-N 443.508 0.637 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905249 YCPBSCWPPSRYDX-RDJZCZTQSA-N 435.525 0.959 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824926489 VLKDVSJHTNPLPQ-LALPHHSUSA-N 425.532 0.671 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccc3)on1)CCO2 1829596760 NVUUAVOPZCMCFR-JOCHJYFZSA-N 439.424 0.500 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830861614 ZZQMVFOTZYDDLD-GGAORHGYSA-N 429.517 0.964 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831103302 CDHSMOIBBRNCGV-XXBNENTESA-N 437.581 0.748 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2C1 1831221602 TYCURJJVZPHJMT-QHCPKHFHSA-N 441.532 0.202 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1831393957 SNZLKVCPGNNZEY-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3OC)C2)C1 1831402303 UJPHMBZHFBHPFH-GAJHUEQPSA-N 448.491 0.872 30 20 ICED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832558074 WJPGFIAPLUZYBJ-XMHVBLFMSA-N 447.536 0.762 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 1833039191 AYOQVKFXUFPJNX-UHFFFAOYSA-N 442.472 0.797 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)c1 1833276260 NMLMSQSDWMGLTB-QFIPXVFZSA-N 440.431 0.715 30 20 ICED CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)CC1 1833426325 HUUCZGOBCUTPGX-UHFFFAOYSA-N 429.609 0.609 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834359734 FCIKDCXIXUBZQF-OAQYLSRUSA-N 435.452 0.800 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607451 OSLOGUZYHCTGOG-HXUWFJFHSA-N 443.552 0.332 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCc5sccc5C4)C3)C2)CC1 1835340929 IZCZBCLGKUOUPF-QFIPXVFZSA-N 444.557 0.866 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835352339 UODGHXYGUSJVLN-HXUWFJFHSA-N 435.502 0.464 30 20 ICED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835531121 OITHKPZEAOQFNA-LHSJRXKWSA-N 426.477 0.099 30 20 ICED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)ccc1Br 1835553005 IGRALATXDNDSNP-GOSISDBHSA-N 437.294 0.349 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)cn4)CCO3)C2)c1 1836034124 MSEIAVALRODTBY-NRFANRHFSA-N 427.436 0.733 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3cnc4ccccn34)CC2)CC1 1836701804 MNHTYCYWPYENLX-UHFFFAOYSA-N 438.484 0.963 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836866041 HAQBCPAOIKELIU-OAHLLOKOSA-N 436.509 0.128 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)c1 1836872806 NIHWAQMBVMWEQG-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837391321 KMUAWOVBESIECR-UWJYYQICSA-N 441.594 0.065 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837503482 VLDOKXDASLFGSX-RRMPHLOHSA-N 440.493 0.150 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N1CSCSC1 1837568779 CWENAUUWEOEGLR-UZLBHIALSA-N 439.603 0.899 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837670751 PSHCWYDGZYSUDD-OXQOHEQNSA-N 427.567 0.667 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)CC1 1838415779 WWSGVQVAJFIIIK-FQEVSTJZSA-N 443.485 0.130 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733092 NHTWSECYYDKNOG-NRFANRHFSA-N 426.477 0.621 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838736181 ONTIDSBIAVASAP-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)cc(OC)c3)CCO2)C1 1838933063 PHJFSPYADVOWMZ-SBUREZEXSA-N 446.500 0.812 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)c(Cl)c1 1839424332 BSFYBPUPQSMYCN-FQEVSTJZSA-N 437.880 0.291 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581339 JVNDTJNWQXNKIA-OPAMFIHVSA-N 430.505 0.017 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1839811957 YTRHGUHDYIVODE-FSNCLGKMSA-N 433.505 0.474 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840157973 FBRHAJCAIQMUJL-JLTOFOAXSA-N 449.508 0.795 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840164123 YJAIPGWHNNAZEN-ZUOKHONESA-N 429.502 0.823 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840165934 OFDLYQTXTIMPRX-YCRPNKLZSA-N 435.546 0.777 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840318382 CXRWGHKUTQMYDM-JOCHJYFZSA-N 444.488 0.303 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)ccc1Br 1842946961 OJMLSPVHXFWMCX-OAHLLOKOSA-N 448.321 0.731 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1845077624 TWZBGNBJJOVWTP-OWCLPIDISA-N 447.488 0.302 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 428519758 CYKYPGFEIKYWKQ-CQSZACIVSA-N 437.485 0.921 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@@H](C)O1 428850929 PHVZSBFAVIALQW-QZTJIDSGSA-N 447.540 0.599 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCC1 430976098 QZRXRUNXGATLHZ-UHFFFAOYSA-N 437.521 0.932 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434997425 ZZPNSRIDQVACPP-HIFRSBDPSA-N 438.506 0.709 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 437157931 VZNNNTZCONRLMT-UHFFFAOYSA-N 430.852 0.653 30 20 ICED N#Cc1ccc(OC[C@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439290603 ZMONHVLYFVDBQD-OAHLLOKOSA-N 436.456 0.749 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)C1=O 440261838 ZSSFGMFZNDJFON-MRXNPFEDSA-N 434.518 0.119 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nn1CCC#N 442437741 LHGDOWINPJCKJF-MRXNPFEDSA-N 436.451 1.573 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 461765929 GGHGAXDJXIQOPW-CQSZACIVSA-N 435.893 1.371 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 468941054 JSHVSTGZBJMWHV-GDBMZVCRSA-N 440.547 0.252 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 473371120 IPBPSNLVEKNTCE-UHFFFAOYSA-N 442.564 0.213 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 477471416 QJIBAIKNSMZTDZ-UHFFFAOYSA-N 430.552 0.844 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1=O 499077343 BXOSPLFHBBVJNS-QGZVFWFLSA-N 441.444 0.620 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 503235396 XQDPDTSAETUKON-UHFFFAOYSA-N 449.510 0.822 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](C(=O)OC)C1 506031870 NTZBFKGERBWMLW-BRWVUGGUSA-N 448.545 0.884 30 20 ICED N#CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 506358814 VQLDTXUXXVUECM-UHFFFAOYSA-N 435.502 0.736 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2ccc(CC#N)cc2)C1=O 507779143 NXEHDXRKXYAFQT-GCJKJVERSA-N 447.455 0.935 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)n1 508327990 AGNRLZVRWQPIIN-KRWDZBQOSA-N 433.476 0.548 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513256135 RGEWZWBGUQODBE-UHFFFAOYSA-N 439.451 0.268 30 20 ICED Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1S(=O)(=O)NCC#N 518177841 QTKDUURWMAGLAF-UHFFFAOYSA-N 432.506 0.578 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 524282939 UCWXZIZFSWBSDK-UHFFFAOYSA-N 437.308 0.484 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n2)c(F)c1 541134665 ZFLAIRWCCXUTIO-UONOGXRCSA-N 431.449 0.857 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543921555 SOZNCCZSTUJIIT-UHFFFAOYSA-N 436.451 0.899 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 550811195 QWWMKQSXZCSRBH-UHFFFAOYSA-N 442.501 0.144 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 553671977 DWPFBAYSDYSCRE-UHFFFAOYSA-N 433.597 0.592 30 20 ICED CCN(C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 562128973 BQGJOBBWIRRZPP-UHFFFAOYSA-N 428.536 0.109 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 580061060 YIMRMFKYVCATDR-OAHLLOKOSA-N 441.879 1.352 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581688970 WZVZNTHNIKPDFB-ABBIFBPUSA-N 444.557 0.971 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 599446948 ZEVDPOFNGJEZPL-UHFFFAOYSA-N 430.486 0.850 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604120538 TWBSSPDGHIGRPS-UHFFFAOYSA-N 445.566 0.923 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911648 NSMQLLDERIDGLL-UHFFFAOYSA-N 437.308 0.507 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCO2 609765454 XRWATQZOWJSHAF-UHFFFAOYSA-N 438.490 0.889 30 20 ICED N#Cc1ccc(NCC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 611479798 XQYDIDPIPZZAIZ-UHFFFAOYSA-N 428.470 0.931 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)NCCNc3ncccc3C#N)cnc21 727103183 MTOCEWOPWFRDST-UHFFFAOYSA-N 431.254 0.387 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 732466410 NGDOMVLOTDRBML-OQLSDQBISA-N 427.505 0.756 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCC1=O 739115735 DEUODUNGQKFEMJ-AWMROSOHSA-N 435.506 0.175 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)CC2)cc1 741008518 YROQZMAKLWLWQD-QGZVFWFLSA-N 436.534 0.605 30 20 ICED C[C@H](CC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742633246 LLUNGRAUFCRCEX-OCCSQVGLSA-N 425.532 0.682 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1=O 742953826 PZEKIKRBYLGOKG-UHFFFAOYSA-N 443.865 0.679 30 20 ICED COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1C#N 746773024 PJNMNPJIUSXYPT-UHFFFAOYSA-N 447.473 0.475 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 754706272 FNMCONUYDWBJHZ-WMZOPIPTSA-N 425.470 0.505 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc2n(C)c1=O 757591443 UEZHXPGBSRLJKV-SMDDNHRTSA-N 428.449 0.121 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 767627506 NSBVOGGNRLZKGB-CYBMUJFWSA-N 445.453 0.813 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 769487465 VFGZLNXOJFZPHC-UHFFFAOYSA-N 434.456 0.727 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 783482146 VJPBORNCOLDEAI-IBGZPJMESA-N 433.530 0.149 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 783545486 SMIFRCSYJSMFMF-AWEZNQCLSA-N 442.515 0.341 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c3ncccc3c2)c1=O 783958914 ZLESEFGOZWLGQS-UHFFFAOYSA-N 432.505 0.665 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ncnn1C 789612740 FQOMQHARJATWFB-QRLOFXTQSA-N 433.494 0.444 30 20 ICED C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 790871011 PXCCIFQBGNEGPH-DLBZAZTESA-N 428.532 0.475 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)c1C#N 791172706 IMPLWLYPZNALRV-LWWSYDQCSA-N 445.273 0.977 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 794733917 HNYULQGQFYHPDV-CABCVRRESA-N 431.474 0.098 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 809309924 PUXNZADQOJKXAR-CVEARBPZSA-N 441.456 0.095 30 20 ICED COC(=O)C(C)(C)CS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 811144447 KXHMULWYLMKPQP-LLVKDONJSA-N 445.519 0.149 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814251712 QAHBNSSTKHPPOB-CQSZACIVSA-N 432.452 0.503 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NCC(F)(F)F 887571985 JNEGSOUEOLVOIV-VIFPVBQESA-N 436.368 0.156 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOC 916198685 SRZXIMHBNNLHFA-UHFFFAOYSA-N 430.486 0.884 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(=O)n1C1CC1 1473073463 VJNZOEQTSZSEBU-KRWDZBQOSA-N 440.481 0.869 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1519166621 WJJZTYZPIXXIBN-HNNXBMFYSA-N 426.543 0.778 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1541804402 VODJAINVIAGUMX-YOEHRIQHSA-N 425.493 0.784 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1541928247 YKCRVYXLGDYWGO-PXAZEXFGSA-N 427.506 0.389 30 20 ICED CCNC(=O)C1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CCC1 1615927984 TZLBFMYDRXCFCH-IERDGZPVSA-N 432.525 0.965 30 20 ICED CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617393999 WRWSCFNKRIKCEQ-UHFFFAOYSA-N 430.538 0.688 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CCO1 1618711077 VVRNJWGCRRFWHC-ROUUACIJSA-N 444.492 0.341 30 20 ICED N#Cc1cn(CC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c(=O)nc1O 1633326754 VBAXMJNWEIOJNX-UHFFFAOYSA-N 430.852 0.257 30 20 ICED CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1723646417 SWJSXDFQUYCWKH-QGZVFWFLSA-N 436.520 0.952 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1771370014 WSAFNRCWNOXFLX-FQEVSTJZSA-N 446.533 0.895 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)CC1 1778054227 DDNLVKYEQUWRKJ-JOCHJYFZSA-N 447.455 0.318 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918390 BSPFFMNIXPLFMG-OWDMVUQNSA-N 435.550 0.462 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)[C@H]1SC(=N)NC1=O 1779137474 ZLZYJICSIWGWPD-ILQULBMGSA-N 447.517 0.331 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1780103505 VSDPLLWISOJFAN-IIBYNOLFSA-N 425.445 0.439 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154216 CEADESLFGNZESF-JOCHJYFZSA-N 429.473 0.829 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)[C@@H]1SC(=N)NC1=O 1780695328 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O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CN1 1783628131 MMENYNPFEIIHHK-HSEXJWHOSA-N 445.541 0.993 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783888667 AOJKKCJQJWDBQK-KZDUYQQSSA-N 443.566 0.505 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1784147233 IZKLNVJHMLNZHU-ZHRRBRCNSA-N 449.504 0.551 30 20 ICED C#CCO[C@H](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 1784481452 QIBSHPQREAKQST-FZWBFHRNSA-N 432.517 0.760 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701910 HEUWZWPDBMFCPO-NXOAAHMSSA-N 438.525 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn(C)c4c3CCC4)[C@H]2C1 1788019694 ARROXFJINWXGQP-LYGXWFJISA-N 441.532 0.361 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1788601768 JTEZISROMJTVRQ-NLHDIRNGSA-N 428.537 0.861 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1790874674 RYPVNMGYWKVQCE-QRFRQXIXSA-N 430.480 0.746 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1cccn1 1791640813 DVHRBQNPDQHDFO-NKWIFXNNSA-N 433.509 0.953 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832130 QIHYACPERAJYQT-PIKOESSRSA-N 444.488 0.145 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CSCSC1 1797840784 FRYBNKXCSWXJOP-OVYGPGRDSA-N 427.592 0.657 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798428246 MCLVIUHLKTZUKI-ZXFNITATSA-N 426.473 0.520 30 20 ICED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801029849 CSEIBANMWZKUBM-LTCOOKNTSA-N 443.529 0.752 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1801995786 QSVZROSXVBLSFF-FAQVEIGNSA-N 446.467 0.883 30 20 ICED 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]1CCCOC1 1802076269 IRDOKKNWIMEHDV-QTMHVTGLSA-N 449.548 0.919 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1803336769 HDODJWRUYFIXJS-HKUYNNGSSA-N 442.520 0.821 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806384068 OVHZQWJBSRVILV-UHFFFAOYSA-N 443.548 0.815 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810357108 OLRMYJHKUBOCCP-NJZMYOQASA-N 443.504 0.895 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)NCc2ccco2)n[nH]1 1819535211 OUIKYRAOJGZMOA-MOEXGYKKSA-N 439.428 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OCC)CCO2)C1 1829536958 ZVHUAYWYKRVVIU-VGSWGCGISA-N 431.489 0.589 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829629977 LENJVEZOHYAXMT-HSZRJFAPSA-N 443.500 0.900 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829896109 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C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)C1 1833048726 RSCNMESQODJIJM-UHFFFAOYSA-N 439.520 0.569 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cnn(C)c3)CC2)CC1 1833076144 AEZGGJGFPKAGGH-PLNGDYQASA-N 442.564 0.393 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833191874 YUJJOCOZCJIEIL-KNQAVFIVSA-N 434.537 0.958 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833755688 XOONJOSQDYLOJN-DHNIJCFSSA-N 430.505 0.934 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834236124 QEROWNFPBFISLV-IYNODDHASA-N 435.481 0.019 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NO4)C3)C2)CC1 1835338654 PFQHNQBNIQOOSN-CVDCTZTESA-N 438.484 0.940 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422287 UUYHDMYGHSBLFH-IGPUNGKJSA-N 433.505 0.972 30 20 ICED CCc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673061 UTJNAQMQGORXBP-HSZRJFAPSA-N 443.548 0.996 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836950610 ZQYYUXBGOUNCKS-JOCHJYFZSA-N 425.489 0.911 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1837403008 NFECOKRMQISVRE-IUKKYPGJSA-N 447.532 0.878 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3SC)CCO2)C1 1838280509 MFHQBWWHOMVRKW-HRAATJIYSA-N 433.530 0.912 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595961 KXVAVJSNNZDNOW-HXUWFJFHSA-N 434.880 0.370 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839227734 XKPBRJJWYDAFIT-SCLBCKFNSA-N 438.441 0.189 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361229 XXSJXRFDDKIDEL-REWPJTCUSA-N 442.516 0.737 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839512448 CAXNTMATFIRUNV-QFIPXVFZSA-N 439.472 0.955 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279956 MMOGSMQZVOACNO-LAUBAEHRSA-N 428.526 0.823 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840455638 RXRNJIBMJQDMKA-VGOFRKELSA-N 428.489 0.999 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771639 IXCMFXPNCVFPIK-HSZRJFAPSA-N 439.468 0.762 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840820998 VAESPMRRRULIJQ-CVDCTZTESA-N 443.500 0.820 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840840331 LQSHGQQQPZXTMY-JOCHJYFZSA-N 441.463 0.890 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905079 TYVMMTBGEZMJQC-UHFFFAOYSA-N 445.541 0.938 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1=O 22519199 DKDQITIMRRJPIV-UHFFFAOYSA-N 441.488 0.015 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1 64296660 LPMDIEFMMDMIMN-UHFFFAOYSA-N 434.518 0.591 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1 440955521 XOUXPNZRYMUCIY-CFPPRVJZSA-N 430.530 0.092 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 443025081 JMECWKGHMQDHGM-YJYMSZOUSA-N 446.510 0.629 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1 444507824 SRRQAZCEZYIZBU-UHFFFAOYSA-N 426.452 1.429 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)cc2)c1=O 461376028 TWLKVBNXKFXBHL-UHFFFAOYSA-N 427.526 0.828 30 20 ICED COCCn1c(N)c(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(O)nc1=O 471153402 FVDJWQFPMZTXMI-INIZCTEOSA-N 426.477 0.243 30 20 ICED COC(=O)c1ccc(F)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472891745 PJOVHCZFNMPLJD-UHFFFAOYSA-N 428.424 0.813 30 20 ICED N#CC[C@@H](CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 476068741 AUNNFEUJLAKTQQ-OALUTQOASA-N 432.546 0.521 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 476760187 NXJRSJPMSNOEGL-AZUAARDMSA-N 432.496 0.608 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 480306106 JEURYOCCKPPCSU-ZDUSSCGKSA-N 441.469 0.916 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)cn1CCOC 481346319 JZUOKPIPLGOTSC-LSDHHAIUSA-N 435.481 0.940 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cccc(C#N)c1=O 488085179 SBLIGNGJHFRATM-UHFFFAOYSA-N 432.458 0.388 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 488278116 IMLGPVVVXQIJIF-RBUKOAKNSA-N 425.489 0.692 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 488663131 DNIZHSDVKVOESM-INIZCTEOSA-N 433.424 0.859 30 20 ICED C=CCN(CC1(CN(CC=C)[C@@H]2CCS(=O)(=O)C2)COC1)[C@@H]1CCS(=O)(=O)C1 497838928 BVGWMRARUKQUPV-QZTJIDSGSA-N 432.608 0.353 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(N)=O 516531752 AFMDTQQCHKGSCH-UHFFFAOYSA-N 448.932 0.013 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O 522247968 JTANLZNGTFPYFC-UHFFFAOYSA-N 436.490 0.309 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)cc2)c1=O 523744467 POKCOHWXXSXWIV-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 532325829 VOXQBPJWZCXWPQ-CYBMUJFWSA-N 429.498 0.509 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn(C)c1=O 541029464 HBNZRXHRDHYBHG-UHFFFAOYSA-N 443.485 0.037 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(N)=O 541864153 KAUNEKBPVQMKGG-UHFFFAOYSA-N 448.932 0.013 30 20 ICED C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 541924800 LDRGJVRWSGLKIX-OLZOCXBDSA-N 448.480 0.944 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)C1=O 541941032 GIZFSSIKIAMGEN-CQSZACIVSA-N 438.362 0.682 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)cn2)C[C@H](C)O1 550153876 AZKVMNYDPPRBAN-GJZGRUSLSA-N 436.472 0.918 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2cnccc2C#N)CC1 553355602 IKJULMJCWSYIJZ-UHFFFAOYSA-N 443.475 0.480 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 555243942 RMRVLSSIVJEONY-UHFFFAOYSA-N 438.492 0.429 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560052684 OWAFURLVKMCBJV-UHFFFAOYSA-N 441.455 1.001 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C)c(C)c2)n(CC(N)=O)c1=O 563653352 YHKUAUULZIJUOM-UHFFFAOYSA-N 435.509 0.614 30 20 ICED CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 565485019 NFTYZPUPDWFRDB-GFCCVEGCSA-N 435.893 1.229 30 20 ICED CN(C)CCn1c(=O)oc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc21 573648291 QBRKXQKXWXUBFD-UHFFFAOYSA-N 443.485 0.945 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 577771252 XKCPJOULVAVYAH-HXUWFJFHSA-N 441.532 0.346 30 20 ICED N#CCNC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 583998453 UKFUUGJPQJYUFK-SNVBAGLBSA-N 449.352 0.810 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 587640130 IJHLWHDJMBECTI-CALCHBBNSA-N 428.537 0.606 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 602249121 ZDHSQYMGGNLLIK-UHFFFAOYSA-N 438.440 0.295 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[nH]c21 604495486 DTVGFDSUJPXECS-OAHLLOKOSA-N 439.451 0.843 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C1CC1 611222697 ITQVBXVNOOUYCF-UHFFFAOYSA-N 438.431 0.924 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 732156411 MWFNYMNTNZUGQA-LTRYHMRKSA-N 438.531 0.852 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 755596970 VCKLOAUHRXLDPN-KRWDZBQOSA-N 432.546 0.367 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)c1 757968644 YNPHLCLWLZNPBR-UHFFFAOYSA-N 442.497 0.786 30 20 ICED C[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NS(=O)(=O)c1cccnc1Cl 760572677 DSEAFRHHXGOTMF-NRYCMEERSA-N 441.897 0.435 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1Cc1ccon1 765146313 XYLQXNDDUDGWJN-UHFFFAOYSA-N 441.469 0.090 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769638676 JPTPLZZAOVXRSD-UHFFFAOYSA-N 443.573 0.713 30 20 ICED N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C(N)=O)cc1 782339725 GDGCYPIETSWPTG-NJAFHUGGSA-N 447.444 0.591 30 20 ICED COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 793197450 QMPQBTDXXUCXGB-UHFFFAOYSA-N 443.503 0.079 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795189045 ZNUQWVPQXGRGRQ-RHSMWYFYSA-N 443.573 0.796 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)o1 796285177 GVYXKNVTVAOQQB-UHFFFAOYSA-N 447.473 0.900 30 20 ICED CCN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 800643918 AHNPRUJWQNARSL-HEHNFIMWSA-N 440.522 0.295 30 20 ICED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 810782267 KFLSLJUNSWBCAL-UHFFFAOYSA-N 447.966 0.749 30 20 ICED COC(=O)c1ccc2nc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 819880617 YKSFBPJJZUWMGG-UHFFFAOYSA-N 427.442 0.704 30 20 ICED Cc1nnc(SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1Cc1ccccc1 1122408774 OZLWIQIFMOORSC-MRXNPFEDSA-N 447.542 0.693 30 20 ICED C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCCCC1 1320672789 CXTHHPUTYJXZNH-NVXWUHKLSA-N 426.473 0.972 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1326308040 KEGLUTSVESDXQL-HKUYNNGSSA-N 448.545 0.810 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1494235829 KKQBKOXNTJZPJH-MDOVXXIYSA-N 431.518 0.980 30 20 ICED CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNS(C)(=O)=O 1499154405 SBAQWRWHRRSZHF-UHFFFAOYSA-N 434.526 0.453 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1509948148 NELMSALISCZDGQ-YWZLYKJASA-N 443.533 0.805 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1547920559 XNUANPIMPFPXIQ-FRQCXROJSA-N 439.538 0.626 30 20 ICED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555297765 PHGBFHGYBGBLHX-CABCVRRESA-N 442.542 0.060 30 20 ICED Cn1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1618425560 RMBWBBSXQWLHEH-KRWDZBQOSA-N 448.553 0.327 30 20 ICED COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1625964553 MFSSFDFEHJKVRO-KMFMINBZSA-N 444.513 0.880 30 20 ICED N#Cc1cn(CCC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1626375141 RAHGIEQYOCWAMB-UHFFFAOYSA-N 444.879 0.329 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1630789048 QCCPFORHBYSOIC-OAHLLOKOSA-N 430.534 0.924 30 20 ICED CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1724035792 TZLDWXYLWBMLAZ-HXUWFJFHSA-N 431.518 0.982 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1cnn(C)n1 1741675777 LVURKFTYETUZOW-QGZVFWFLSA-N 426.529 0.354 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1763932894 NBSBSOBDRSFNCD-XIRDDKMYSA-N 428.541 0.711 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778354721 NWJZBNZAGAGMNB-HSZRJFAPSA-N 434.581 0.973 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778787073 WSVAAZQATYIUAV-UWJYYQICSA-N 446.460 0.075 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1779319573 QORUNJUAZZIPCD-GHTZIAJQSA-N 448.907 0.806 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1ccnn1 1779429053 TXZYWAVQDWSAIO-FVZPWGAISA-N 448.524 0.882 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780803304 GTBZYKWORYGOHP-AXHMDWHKSA-N 425.530 0.748 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2C1 1782561676 SXGNYIXXGQXOOK-QFIPXVFZSA-N 437.504 0.676 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783907550 ZJZVHHUULLNVHD-NRFANRHFSA-N 433.530 0.873 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)cc1C#N 1785195791 CYAJILTYWPVQSW-JOCHJYFZSA-N 428.489 0.877 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCN(C)CC4)[C@H]3C2)c1 1788194666 DFYJXOQADJGVQU-BVSLBCMMSA-N 439.560 0.707 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272835 IXOLXQMCSGOTDU-BPUTZDHNSA-N 426.433 0.185 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1790588661 KZWZGYPDLOTOHG-DWRORGKVSA-N 439.516 0.873 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258596 KURSKDXCZQKDPH-UGFIEOPBSA-N 439.512 0.169 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C1CCC(CO)CC1 1793856455 GRICCPRWCKINLJ-DGBKYHIMSA-N 437.537 0.904 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278212 SVRHZYLDZRRCGC-RUMRUAAYSA-N 444.528 0.697 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538433 CGRNEGQUORHSJB-TYYYEBLRSA-N 431.514 0.979 30 20 ICED C=CC(=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 1797941188 DKKUQTOYIZGMNP-WCWWHDIWSA-N 431.514 0.767 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745256 ZRIZVHWXMCDHDZ-HBCWATKFSA-N 435.477 0.807 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)C(F)(F)F 1800550128 BUJIHOXMOFWDOV-AGGWBTHJSA-N 439.456 0.120 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1802475919 CJDXMUZLNSUKCB-JCJKFKTASA-N 434.500 0.979 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1806022417 SGLHLPMRNVMGIY-HNNXBMFYSA-N 428.493 0.854 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808439951 CYMIGNONWMHBMY-ZWOKBUDYSA-N 445.520 0.190 30 20 ICED Cc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2nccn12 1812879166 CEYDQGZXSSUGCC-UZLBHIALSA-N 432.440 0.840 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813172814 IHGOXMDKMIXEPX-HRAATJIYSA-N 428.514 0.932 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817358998 LELZKCSIVWZVSV-UKRRQHHQSA-N 434.497 0.504 30 20 ICED CN1CCCn2nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C#CC(=O)O)CC4)cc2C1 1824385272 RPGZGCDTDYCWPZ-LBPRGKRZSA-N 442.501 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826873024 MIRZECNCRKMQTC-HPFMTEOYSA-N 430.553 0.304 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050254 LWJMWBBSSOHWMZ-PGRDOPGGSA-N 429.521 0.301 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907303 GACUSJVFYFDZRI-HSZRJFAPSA-N 437.500 0.762 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1831401736 DOWYNAYSWQXOBE-HXOBKFHXSA-N 448.491 0.872 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831418534 CHKWKBHMOALPIS-FDDCHVKYSA-N 442.516 0.924 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1831697493 ZBARWBHEMIAULF-LJQANCHMSA-N 431.480 0.817 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832150889 NKRNTCGRCGSYBJ-JKSUJKDBSA-N 426.457 0.675 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1832447417 WWNKKSFXQOHRLA-FQEVSTJZSA-N 427.567 0.668 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C)n3)CCO2)C1 1832610340 QIKKCVCHASIORD-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)C(F)(F)F 1832800597 VMQLRNXSKJHFBC-INIZCTEOSA-N 447.370 0.366 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCNC(C)C)CC2)CC1 1833075871 CGVRLBNDCCWTRX-WAYWQWQTSA-N 433.597 0.805 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386171 OAXRAZVBOWDAAL-IERDGZPVSA-N 434.493 0.048 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ncccn3)CC2)CC1 1834232286 NNYRPYOGRJPYEF-UHFFFAOYSA-N 427.553 0.944 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1834742753 WQUYLLLBKSZHQN-YJBOKZPZSA-N 439.557 0.422 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835063851 HGXYHXZXZROTHZ-WZONZLPQSA-N 430.501 0.732 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCN4CCOC4=O)CC3)CC2)c1 1836169982 NBHKTOCFHRMENZ-UHFFFAOYSA-N 442.520 0.914 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190104 JGZJVIYWKFVKGI-HCQBAUJFSA-N 446.504 0.610 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837397163 RQTGYYIVYBVFTI-PGRDOPGGSA-N 444.488 0.866 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524790 MYKZSOHMMXGXHS-NGPKUFNOSA-N 449.508 0.502 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561609 XFEZXXYBTQSBJX-MHRHTVJOSA-N 429.477 0.685 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837668468 KRMNOYUHTVEQPM-FQEVSTJZSA-N 430.567 0.870 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905644 QLISWYDIHJHOIN-IIBYNOLFSA-N 449.529 0.309 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)cc1 1838951332 KWUQJSLSWQYHQZ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839228468 FDAUXQSKLCYZQL-OXQOHEQNSA-N 435.481 0.113 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531905 OSZBEKAGIJPQBF-XMMPIXPASA-N 434.496 0.951 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ccccc4c3)C2)C1 1840041391 KOSUHRIVNDXYSK-DEOSSOPVSA-N 436.464 0.927 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(Cl)cccc34)C2)C1 1840044750 VFGKIDYDGKMVSZ-FQEVSTJZSA-N 446.847 0.374 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840171617 OZVDCXAJKCIGKW-ZUTVHTERSA-N 427.501 0.892 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(O)c3)CCO2)C1 1840265347 ZDFJKBCLJJKXAV-MBSDFSHPSA-N 430.501 0.820 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841958662 XKRPIRBNJTZLDL-UONOGXRCSA-N 449.508 0.257 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)c1 1843809350 XQJHDBRDBUNWFV-UHFFFAOYSA-N 442.439 0.901 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(=O)NC3CC3)CC2)cc1 18662435 ZHGQDXJCRKXDEY-UHFFFAOYSA-N 434.474 0.490 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1 429843582 GPWBRXRHENCEMX-CQSZACIVSA-N 443.547 0.467 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)NC)CC2)cc1 439033342 KPGTUDLCHAKRIA-UHFFFAOYSA-N 445.567 0.543 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)n1 441943232 SHSJHQWAKWOYHO-OAHLLOKOSA-N 442.541 0.768 30 20 ICED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447751534 BFRKDAUBLZCOTL-OAHLLOKOSA-N 442.567 0.823 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1C#N 461385991 YWYNYDHUFMCIRB-UHFFFAOYSA-N 436.493 0.487 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c(F)c1 463601777 UIZWSDCMULUWOA-HNBVOPMISA-N 426.448 0.898 30 20 ICED CCCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 464863777 ZIJSQEYDZOGFTF-IRXDYDNUSA-N 434.566 0.675 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 467681613 SAQPWIZXDXGEGT-AWEZNQCLSA-N 425.467 0.290 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)c1C#N 472997979 GMLCZKPJDSHSEU-UHFFFAOYSA-N 437.464 0.645 30 20 ICED C=C(C)COCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 474718679 GQSUHOCNCXESQY-HNNXBMFYSA-N 431.536 0.866 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)o1 476540376 FBPZCGLEXRBVDY-MSOLQXFVSA-N 445.497 0.646 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)s3)c(=O)n2CC)CC1 477010669 GXTBUOSWEAJWCU-UHFFFAOYSA-N 432.571 0.667 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(Cc2ccon2)c1=O 480958427 WCGAGWUMXMWMNW-UHFFFAOYSA-N 436.453 0.092 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N=c1ncn(Cc2ccc(Cl)cc2)[nH]1 483980535 NCRUQRWLNIGQOJ-UHFFFAOYSA-N 427.856 0.266 30 20 ICED N#C[C@]1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCOC1 484321115 KRGJLSOWHZUYTE-LJQANCHMSA-N 432.458 0.374 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487163802 UTSLCQLAAYDWLM-OXQOHEQNSA-N 438.532 0.653 30 20 ICED Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491398153 FOAMPZJLANUVKD-UHFFFAOYSA-N 435.444 0.974 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 506875242 MNZCJJFMLGPUGO-UHFFFAOYSA-N 435.481 0.735 30 20 ICED COc1nc(N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)ncc1Br 509171812 BOQFSTAUYWNCON-NSHDSACASA-N 433.332 0.848 30 20 ICED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)CN1S(=O)(=O)N(C)[C@H](C)CC#N 509219492 LZNOGIHMODJIKP-FPCVCCKLSA-N 434.588 0.339 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)CCO1 518225514 NVKDBHUGXMUKBR-AWEZNQCLSA-N 440.508 0.191 30 20 ICED N#Cc1cc(NCC(=O)N2CCOCC2)cc(NCC(=O)N2CCOCC2)c1[N+](=O)[O-] 539548342 UUXSKOSKVQQGRQ-UHFFFAOYSA-N 432.437 0.008 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(SCC)c2)c(=O)n1CC(N)=O 547434120 BBUKGZFVBHIOBT-UHFFFAOYSA-N 428.539 0.312 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 550980435 JAXLTZMZUIFWKF-RDTXWAMCSA-N 431.456 1.160 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 554914743 VSDUENDZSMJLNP-HOTGVXAUSA-N 448.615 0.636 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 557731256 DHERYFLJFURQNB-UHFFFAOYSA-N 429.521 0.720 30 20 ICED CNC(=O)c1ccn([C@H]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)n1 560680982 AKBCGAVLABYDOT-INIZCTEOSA-N 444.517 0.599 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)Cc1nnnn1-c1ccccc1Br 569024309 GREDLZZTFIVIDH-UHFFFAOYSA-N 426.256 0.882 30 20 ICED CCOC(=O)c1sc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nc1C 588998345 KMGKVDLURGXKKH-UHFFFAOYSA-N 433.494 0.513 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)cc1 606748663 BUGMIIWPYSKONW-MRXNPFEDSA-N 438.550 0.516 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828084 DYKIMJDRVLXYAY-UHFFFAOYSA-N 438.896 0.900 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(OC)nc1 608884762 XEEMXHQOYMQNKY-UHFFFAOYSA-N 428.420 0.830 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)c(F)c1 609461992 UUESKXDEOHXKFF-YESZJQIVSA-N 448.520 0.818 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609668482 RVYLXJMWLOZOCF-LJQANCHMSA-N 425.537 0.673 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC(O)CC3)CC2)cc1 609883664 OGXUIMXZYQBVNW-UHFFFAOYSA-N 434.562 0.922 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N([C@H]2CCS(=O)(=O)C2)C1=O 726396319 REEMDZKILTXTOE-NHYWBVRUSA-N 441.531 0.959 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 728533983 FBUOISKNWYUJEG-LJQANCHMSA-N 442.516 0.202 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 733150856 YJBSLQXKULZHBA-UHFFFAOYSA-N 448.589 0.802 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742797761 GAGVKDIOYUFFPS-WFASDCNBSA-N 444.517 0.467 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCOC1 749861447 CKISNECWSARSCL-OAHLLOKOSA-N 443.573 0.927 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758070855 ZHOSPUHYRQTKAC-UHFFFAOYSA-N 435.484 0.897 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(COC)cc2)c1=O 758075492 IRRSMMIQWCTJLG-UHFFFAOYSA-N 425.510 0.345 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 766989308 XFTLQVPZDOASKD-OAHLLOKOSA-N 427.442 0.492 30 20 ICED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)nc2c1c(=O)n(C)c(=O)n2C 786564077 OONHNYRMGQQYNC-ZDUSSCGKSA-N 441.394 0.858 30 20 ICED C#CCn1ccc(CN(CC)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 789027168 IFXWUHZWGIYINP-UHFFFAOYSA-N 434.478 0.935 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(F)cc1C 792990860 YUZZTTFOVLCXKF-MSUUIHNZSA-N 432.408 0.892 30 20 ICED CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc(C(=O)NC)c1C 798741761 CKSIAJDZADPQGK-JTQLQIEISA-N 448.461 0.799 30 20 ICED C=CCn1c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nnc1C(C)(C)C 800781361 GDELNQHHPRQTOQ-AWEZNQCLSA-N 431.584 0.401 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)nc2)CC1 801552293 HDNLJUCLCDICGX-HNNXBMFYSA-N 440.529 0.700 30 20 ICED Cn1ncc2c(O)nc(NN=Cc3ccc(S(N)(=O)=O)c(Br)c3)nc21 807973436 QNOZYIQIANQDKS-UHFFFAOYSA-N 426.256 0.925 30 20 ICED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808033848 GVFFCPYRIOFUNA-RDJZCZTQSA-N 428.493 0.585 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)nn1 812956448 OILPVBCLNAIQJX-UHFFFAOYSA-N 434.416 0.487 30 20 ICED COc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 821739073 CSYWQQRGBMWXCL-UHFFFAOYSA-N 448.413 0.824 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)nc1 918746778 WTQJWAXGLHQFEG-UHFFFAOYSA-N 429.458 0.279 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCC(=O)NCCN3CCOCC3)ccc2c1=O 920269336 POBSOPQWBJALLD-UHFFFAOYSA-N 431.518 0.049 30 20 ICED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1593808707 SEDBOTRIPSFUTQ-UHFFFAOYSA-N 425.902 0.760 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1629932833 MHTJWVOMKDMJEB-QGZVFWFLSA-N 449.577 0.138 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1697174471 SFDNUEHKWKRJIY-FVQBIDKESA-N 426.543 0.774 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1709183518 KENDPAHQYSVVFJ-QGZVFWFLSA-N 445.549 0.859 30 20 ICED CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711517725 XKSBFVDLXHVECW-WBVHZDCISA-N 445.549 0.808 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1747730455 IPUYOOPZVGXDPV-SFHVURJKSA-N 437.504 0.986 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780785656 QRYPSDRIYKRWBY-GCKMJXCFSA-N 438.525 0.690 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)ccc1F 1781299848 FAYOISORKTZKMK-QFIPXVFZSA-N 449.446 0.821 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CSCC(=O)O)C4)C3)c2c1 1783961378 YDYDZRXWQHZRTJ-FQEVSTJZSA-N 443.485 0.696 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1785016049 GVYOYKPLDSSSEN-ZOBUZTSGSA-N 436.534 0.612 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785332721 SBHDGBMICKNZGG-DNUAJFIVSA-N 428.489 0.386 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859778 ZGTIBIWGTQMXBV-IEZWGBDMSA-N 429.521 0.260 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398383 XJNUHCQZQHWWFS-SRIISGBFSA-N 437.566 0.794 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(O)nc(O)n1 1787440570 XQLSFEIOOYYOIX-KWJRNONUSA-N 449.464 0.010 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788603289 QSBYNMRPNJOXGV-ZRRIGXHUSA-N 439.520 0.794 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21 1788656763 SGZSUFDFSLMDNO-HMOIVQTESA-N 433.461 0.971 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1)C(F)(F)F 1789092312 WTWRVAHAIHYHIU-SRVKXCTJSA-N 427.383 0.287 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cc1 1789292453 GYZLNYGPGMFTQG-BJLQDIEVSA-N 435.484 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C[C@@H]21 1789891297 LKFOADIAWGHMAK-OROIIQQLSA-N 433.549 0.816 30 20 ICED Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1[N+](=O)[O-] 1791078272 RHDVGDNWLYCBCU-BQFCYCMXSA-N 429.429 0.513 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794088640 ZPZOCEFLKMVSCV-ACDBMABISA-N 429.542 0.407 30 20 ICED 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)N(C)C 1795460593 CIARQTGMESZRFT-QKPAOTATSA-N 438.525 0.134 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796426053 GMWVQSOSVOHIEJ-WJTVCTBASA-N 430.477 0.590 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(=O)(=O)N2CCCC2)cc1 1796441487 RDFQIGCACQLVHO-OPVJXMOQSA-N 446.529 0.187 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1797648523 PUHOCEMCFHIISG-XAPVIXHLSA-N 432.565 0.509 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1797652177 HNQWERKBFQYEOA-NXIXHYNASA-N 443.548 0.815 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797688560 XHOYNPBAZIFFAE-FAYQHZLMSA-N 431.880 0.624 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1797709927 GAQJYMMFXWZHPS-JSJNYSNDSA-N 445.564 0.495 30 20 ICED 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)=O 1800509055 CWHYJWSDVOFWEV-KYHPRHEASA-N 438.525 0.182 30 20 ICED CCN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cc2)CC1 1801877624 UWHGIKMUBJDVPB-HATOLVCRSA-N 425.533 0.945 30 20 ICED 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=COCC1)C2 1802127797 XKGQPHOCKXPBAD-MHORFTMASA-N 433.505 0.797 30 20 ICED 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#CC(=O)O)C2 1802140766 JASQXDPBUZQWBC-XYKMGWITSA-N 447.488 0.133 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COCCOC)[C@H]1c1cccnc1 1802480284 FOOGYQLNMSAHPP-WVUNDPPESA-N 430.505 0.609 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1803245353 RBOJXDKZYNMEDL-ZHALLVOQSA-N 430.505 0.996 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807720030 GMTCBQTWQIQFKP-IHFIDZABSA-N 449.511 0.761 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCNC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1812874628 LSGGMBIYJZJRST-IIBYNOLFSA-N 437.456 0.324 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCN2C(=O)OCc1ccccc1 1828542919 QQNOLSNZFFTDGX-MTNXOHHFSA-N 425.485 0.843 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1829266258 RLAOWVWLBMERGF-VGSWGCGISA-N 426.473 0.206 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1829781707 BGOIVDFJJLYHOP-LJQANCHMSA-N 447.469 0.160 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1830059423 BHABXTZAUNTVSM-IBGZPJMESA-N 430.490 0.706 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1830343318 XTFRUMLSNSFBDY-SFHVURJKSA-N 433.553 0.955 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1830461401 GNLPFWMEHJDQAE-OAQYLSRUSA-N 425.445 0.644 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831391754 GMBUUGVZCLHNOM-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1831391776 GMSJODXMAOMJJE-HXOBKFHXSA-N 440.500 0.682 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831410459 AXKUQSNOJVVGQQ-MWLMUJSGSA-N 436.553 0.897 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1832447210 QGVOIHHDMBQXGH-RXVVDRJESA-N 441.594 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nc3F)CCO2)C1 1833262802 VZLBCVFLZDMZRJ-VLIAUNLRSA-N 439.871 0.982 30 20 ICED Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833746047 MLFLFKWJTNNHAA-YUSOBQLHSA-N 435.550 0.993 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835289933 PSVKSSJSLJMGFL-YZGVPZOXSA-N 444.532 0.648 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298706 PSVKSSJSLJMGFL-XQDKNNEISA-N 444.532 0.648 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835355053 QMHSDMIZDSKTNE-VGSWGCGISA-N 432.521 0.538 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659775 VUOGUDWTTXWLOW-AQWUKCDYSA-N 446.592 0.966 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835780473 UQEJVHZLHSTHEA-FSJBWODESA-N 440.504 0.667 30 20 ICED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cs1 1835795822 MYNROVSCKBXVTP-NRFANRHFSA-N 448.545 0.494 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C=O)s1)CCO2 1835941173 JPTAVTRAOOWFHK-QEVIJRNUSA-N 447.513 0.489 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836011634 KLKKDXHRSAPNRI-JOCHJYFZSA-N 431.537 0.686 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419740 XTDITZWWZLRNCJ-GOSISDBHSA-N 427.404 0.774 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1 1836479398 LINJOCSJZJSZGQ-UGKGYDQZSA-N 426.473 0.165 30 20 ICED Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1837555803 ZGFVLZYKPWUBIJ-PQANMTQSSA-N 445.520 0.924 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773911 DKZMVMFFGKXNOJ-MRXNPFEDSA-N 429.473 0.936 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950486 YIDKAISIJQSJQY-VQKOGROQSA-N 427.457 0.748 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)ccc1F 1839186577 DAOZTMACOIIQGF-NRFANRHFSA-N 427.436 0.733 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839223701 FTHNXTMIENPCBC-YWZLYKJASA-N 439.488 0.739 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840162095 LUGKSTIMHYVRMV-XOBRGWDASA-N 431.518 0.860 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1840712692 QFTWZSSGAQQXEU-OPAMFIHVSA-N 438.488 0.826 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840843855 PJPBBWPTJYXDSC-NRFANRHFSA-N 441.444 0.955 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)[C@H]1SC(=N)NC1=O 1844282522 ACJCLIUQOZZDSW-GDBMZVCRSA-N 432.546 0.691 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)N(C(=O)OC(C)(C)C)C1 1846449163 VDSQHHYKNCUHSK-INIZCTEOSA-N 446.552 0.595 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1847070849 QSMNYTZZDOKMRV-OAHLLOKOSA-N 435.525 0.378 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2C2CCC2)CC1 430987044 FLQMTQBZEBTXME-UHFFFAOYSA-N 437.525 0.767 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 439945645 SGAQAOKADUDRJR-PAZMTAOXSA-N 449.485 0.177 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 468143244 ADZYAEZUVSHBSG-ROUUACIJSA-N 445.545 0.134 30 20 ICED C[C@@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 468928956 KHCJCOHKRFETPO-INIZCTEOSA-N 436.534 0.915 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 481769951 VMBZQQFXPXHQEA-GDBMZVCRSA-N 427.523 0.920 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 491046537 HIERAFJRCBZBED-OAHLLOKOSA-N 431.493 0.045 30 20 ICED CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491346790 OIJFCSIDDUMLAO-GOSISDBHSA-N 425.493 0.346 30 20 ICED Cn1c(N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(C#N)c(=O)n(C)c1=O 501806832 JQANGNHAMIREKO-IBGZPJMESA-N 436.516 0.269 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnnn1-c1ccccc1 502109897 YVHUAEWOQZHQDQ-OAHLLOKOSA-N 431.460 0.455 30 20 ICED COc1ncc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 505157726 CWQVSPLOOKOIDF-MRXNPFEDSA-N 436.428 0.311 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506694675 KTGVLMADMVMDAS-NOLJZWGESA-N 428.536 0.059 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 509249174 QFCVUPNJHKJPQV-WBVHZDCISA-N 426.514 0.912 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2=O)cc1 517198317 WNNASVIBCQXPHD-HXUWFJFHSA-N 439.516 0.099 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 518010917 WAZOGDURMAQKIK-LBPRGKRZSA-N 429.458 0.548 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 520084333 BOMXARSKDDAOEH-UHFFFAOYSA-N 449.500 0.938 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOCC 522277140 RZTPKGHGAAGOGY-UHFFFAOYSA-N 427.482 0.480 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 522501421 ATVZSMAWVYFDQU-UHFFFAOYSA-N 431.449 0.783 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2ccc(C#N)nc2)CC1 522629933 NXADNHXKVLCTCG-UHFFFAOYSA-N 435.531 0.368 30 20 ICED COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](C)n2cnc(C#N)n2)c(O)nc1=O 538403211 NPZNCHHQTLDCSM-ZDUSSCGKSA-N 438.448 0.435 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 550575403 JVSZHBOFYBWJOP-JTQLQIEISA-N 429.296 0.657 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 557475046 WKJDUAUMJBLERX-CZUORRHYSA-N 443.485 0.399 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 563483292 RMUFAQCYPUYFNR-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 567306020 IENGTIKBKXBBDD-LBPRGKRZSA-N 431.496 0.406 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)CC2)o1 579135164 LDKSARGGUHTSIF-UHFFFAOYSA-N 439.388 0.928 30 20 ICED CN(C)CCCOc1cnccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589528433 KHNUMNHGDJZTDQ-UHFFFAOYSA-N 431.518 0.878 30 20 ICED N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 603601940 XGTKDXWFSJBQRT-QGZVFWFLSA-N 449.552 0.151 30 20 ICED Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 608868112 YGQWHDNYRQXGHI-UHFFFAOYSA-N 433.534 0.177 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610239787 BRUWYZWLDLHJTJ-AWEZNQCLSA-N 445.549 0.756 30 20 ICED CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 610508404 LKVPMEUAUHKETH-UHFFFAOYSA-N 428.536 0.397 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 610810176 VMVRMDQRYAJAJK-DCGLDWPTSA-N 430.490 0.269 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726962013 ORZBNPZCWNZRQJ-UHFFFAOYSA-N 439.522 0.849 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccccc3OCC#N)CC2)ccc1=O 729209991 OATRJQNNECLFEU-UHFFFAOYSA-N 425.445 0.297 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)ncn1 732911572 AXUHZBPKBMXPHH-OAHLLOKOSA-N 428.518 0.863 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 734039688 WUCULQTVQOKAGU-AWEZNQCLSA-N 442.453 0.740 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ccc1F 742912440 OGLGEWNEUWCINF-MLGOLLRUSA-N 435.481 0.947 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(CS(C)(=O)=O)CCOCC1 756641990 ZSVYWBHMWWBTTD-AWEZNQCLSA-N 444.531 0.610 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(F)c2N)CC1 758071281 UNPVWXYBNLOTBZ-UHFFFAOYSA-N 446.460 0.969 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 759198267 FMLUHJYUVSXXGZ-UHFFFAOYSA-N 431.474 0.454 30 20 ICED CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 761069416 DYSAUESBDVXPHW-GTMGWDBPSA-N 438.506 0.896 30 20 ICED COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 762941333 JNFBZTPVNBHUMH-YVEFUNNKSA-N 445.453 0.781 30 20 ICED CS(=O)(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)Cc2ccccc21 764409789 USQDPEYJAVDTQW-ZCXUNETKSA-N 433.490 0.504 30 20 ICED C[C@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 764553447 CXODWVUIWPQHFI-NVHFRZMHSA-N 429.454 0.819 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cncs3)c2=O)c1 767884936 WBXCIPXTLWGDSN-UHFFFAOYSA-N 448.529 0.699 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C=C)c2)c1=O 772280455 ZJEGKBMJXSNKSS-UHFFFAOYSA-N 427.530 0.827 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)[C@H]1CCCO1 773801247 XOAGMBNMXXFWQN-IEBWSBKVSA-N 433.530 0.903 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)c1 774384963 SJPQSGOJANHIFI-LTGZKZEYSA-N 436.490 0.413 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)Cc4ccccc4CC#N)CC3)ncnc21 777161703 QSRDRWCPAXBISM-UHFFFAOYSA-N 433.472 0.864 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 781603278 ULKDRIWXSZEPAQ-HXUWFJFHSA-N 442.428 0.896 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c1 783464725 LILKNTXSVWQJEP-UHFFFAOYSA-N 446.460 0.751 30 20 ICED CC(=O)N1CCN(c2ccc(C(=O)OCC(=O)NC3(C#N)CCC3)cc2[N+](=O)[O-])CC1 784191236 LHLWLPYXSXWWFR-UHFFFAOYSA-N 429.433 0.983 30 20 ICED Cn1c(S)nnc1[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 784634676 OJMHZOUZMVZLHP-ZDUSSCGKSA-N 437.489 0.901 30 20 ICED C[C@@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787805683 QUKORIOKVWFNQO-XPKDYRNWSA-N 439.465 0.444 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790833100 QCWFWBOSXLPURE-UHFFFAOYSA-N 438.325 0.797 30 20 ICED CN(CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 804181203 HBBABZUJPGQHSI-KRWDZBQOSA-N 443.504 0.758 30 20 ICED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 807825141 IBHFZMBOEOPFKB-MRXNPFEDSA-N 442.520 0.975 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 810382756 SOILRQBQDMLRSK-CZIZESTLSA-N 434.518 0.841 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)[C@@H](C)C1 1301760330 SICQSILVRJISNY-HNNXBMFYSA-N 435.492 0.963 30 20 ICED CS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1321207960 DRDHMUZIHNOLET-QGZVFWFLSA-N 425.532 0.604 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1ccccc1CN1CCCC1=O 1321738000 UBRJJBSWFPSQOQ-UHFFFAOYSA-N 433.490 0.382 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccc(O)cc4O3)CC2)cc1 1441010101 LDRVPMQPCMFQCF-LJQANCHMSA-N 429.454 0.937 30 20 ICED CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)c1=O 1515786399 KDXGRWNAKXRVDP-LJQANCHMSA-N 447.499 0.998 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1547320392 IUAJRDDSVMSEGG-UHFFFAOYSA-N 425.493 0.909 30 20 ICED CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1 1548039800 SZHCUAANSODATD-UHFFFAOYSA-N 448.549 0.732 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617431489 FSJQZJRBQPVFGC-QDTSJYRESA-N 440.595 0.125 30 20 ICED N#Cc1cn(CCNC(=O)c2cccnc2-n2cc(Br)cn2)c(=O)nc1O 1641970441 IVWZWFVSQMTHFS-UHFFFAOYSA-N 430.222 0.594 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1697708051 TWIQYECQOPXYET-JOCHJYFZSA-N 439.520 0.178 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1707956727 ZUKCVYPHBGMJQR-QVKFZJNVSA-N 426.477 0.547 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCC2)C1 1731013185 XWUZBNBHBVKAKL-MRXNPFEDSA-N 438.554 0.656 30 20 ICED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1751238644 ULLPRQGKFPUUCE-YESZJQIVSA-N 439.586 0.737 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(C)O 1752281080 JWDABSYQFYPKBZ-CABCVRRESA-N 439.524 0.767 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976588 LKLYOFZXNHBCRZ-VSIOZEBNSA-N 425.493 0.645 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778956938 FMIZMYRGTUPUND-SPLOXXLWSA-N 431.468 0.848 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1778971364 LDPIXRZHGGBRDS-AOMKIAJQSA-N 443.504 0.348 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)NC=O)C3)c(C#N)c1 1780687658 FPWRJLDVDREBOV-LERMDLETSA-N 442.516 0.758 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781110764 ZHKWXDIJEWWYOQ-IBGZPJMESA-N 426.508 0.808 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400402 QAJZPLPKTCSTJA-RXVVDRJESA-N 443.541 0.687 30 20 ICED O=C(CN1CCCCC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782101007 YQUSKULWYBIKCO-CBWPXHNPSA-N 447.580 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3ccnc3)C[C@@H]21 1783533085 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CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1789953633 HEYVJFKMIZWHSW-OHFALNGGSA-N 436.469 0.572 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)cc1 1790142748 BHRYPOYQPSPGBR-BZSNNMDCSA-N 437.504 0.679 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H]4C[C@H](O)[C@H](C4)N3C(=O)OC(C)(C)C)[C@H]2C1 1791085559 XKPYCUHAQKXQJR-QJEKIYCZSA-N 447.532 0.358 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793388028 ZOZXBAXGVVGKLL-NBMJBFSESA-N 432.583 0.600 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)c(O)n1 1794823550 SVAAJAKZAKXBOX-JYYAWHABSA-N 441.488 0.756 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1800454992 XPCKSEHMDZVNES-ZHRPLEGYSA-N 447.532 0.624 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801992625 OOLLVXDQLGAOJD-VPTLXERWSA-N 438.440 0.647 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1802479841 ZBEZPLIIQUGFQO-ZEUIOTOJSA-N 436.472 0.755 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806852068 LCWHEQVWJBUQGO-KVSKMBFKSA-N 447.499 1.000 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806869843 PXRSTWFVNPXYHH-DSKINZAPSA-N 437.504 0.862 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2cccnc2CS(C)(=O)=O)[C@@H]1c1cccnc1 1812526066 PWWWVTBPDOUICG-OXQOHEQNSA-N 426.498 0.974 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@H]1c1cccnc1 1813468213 ADNFNDIJAYJAGS-VJYUMATASA-N 438.492 0.194 30 20 ICED O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)[nH]n2)C(=O)N1 1815667141 AFAOAZBBXCKLAE-UGVMZYNRSA-N 444.496 0.425 30 20 ICED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC3)CC1 1818800990 RNEPUKGFIIBQSH-CQSZACIVSA-N 427.534 0.816 30 20 ICED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1)C(F)(F)F 1822028359 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ICED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1837733068 KMHIAPVXKJSYLS-UHFFFAOYSA-N 449.507 0.962 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c1 1838804851 CQASLAQXEZQPHZ-OAQYLSRUSA-N 444.419 0.561 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1838907435 SHMHGUIVTPLLPN-FUMRIQNTSA-N 438.484 0.463 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)CCO2 1839185882 PJJGHALEXXLWNW-JTSKRJEESA-N 435.521 0.936 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349853 UDUMNPALWJAQBU-LAUBAEHRSA-N 435.546 0.810 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361715 ZUKRSIGFBYNBDR-UZUQRXQVSA-N 442.516 0.737 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1839761420 IECCGYTZODBDTA-FQEVSTJZSA-N 430.461 0.300 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839806130 BCOWHVREHTZYPF-VGOFRKELSA-N 435.521 0.769 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1840041774 HVHZXOIOHSDKLE-HXUWFJFHSA-N 429.385 0.093 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840163465 HUNLUBONFRSEEF-HXPMCKFVSA-N 449.489 0.859 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840164210 BYTFHJDMCDGMKZ-PJIJBLCYSA-N 431.555 0.674 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840449751 KBNOSKWFBNLCOK-FGSXEWAUSA-N 433.505 0.896 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840492139 FMXAOSRTCIZRLX-GBFVYLLASA-N 446.552 0.681 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840841060 ALGVHFXDNTWEOZ-OAQYLSRUSA-N 449.529 0.110 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840904168 DRIDXGGDEDWRGU-QHCPKHFHSA-N 440.500 0.485 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)c1ccc(O)cc1 1842947989 ZYNUTYZTNFSYMD-MJGOQNOKSA-N 426.517 0.685 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056752 XAFZBJXGPQHYGD-UIRAKXSFSA-N 440.547 0.579 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1847263025 TZGRXSMDZMLFMX-ODZFUJSESA-N 441.488 0.053 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 60634994 ZYAFFOSNHMWOJE-IYBDPMFKSA-N 449.533 0.303 30 20 ICED CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnnc1C#N 105254238 SRMBPZOIKHXGCH-UHFFFAOYSA-N 447.521 0.656 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 410388085 KGYLVZSXCPMLAY-LLVKDONJSA-N 435.494 0.163 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 430394608 PAAPGSZXXCBPSO-HUUJSLGLSA-N 434.581 0.733 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 430398684 YNJWDCQRHMXKQH-OXQOHEQNSA-N 433.480 0.973 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C1CCC1 430988256 KKMRNUMJHDXEOO-UHFFFAOYSA-N 444.582 0.648 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 435659349 ISKIBPPXSGOCKQ-UHFFFAOYSA-N 434.449 0.877 30 20 ICED COC(=O)Cn1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 441465131 KJPKOFOZXBSKKU-UHFFFAOYSA-N 434.460 0.903 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1C#N 442385333 QORLRLSYTFOYLG-UHFFFAOYSA-N 427.439 0.201 30 20 ICED C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1CC(F)(F)F 447484405 UCQDTHNIATXBLQ-UHFFFAOYSA-N 439.460 0.875 30 20 ICED C[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCCC1)n1cnc(C#N)n1 467266864 AJLQHCPDEIOPDT-YCPHGPKFSA-N 438.496 0.616 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)NC)CC3)nnc12 470654591 UWMQEECRAQBKJR-UHFFFAOYSA-N 441.517 0.806 30 20 ICED CC(=O)Nc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1F 472849235 JETDOKHYGFAROL-UHFFFAOYSA-N 427.440 0.985 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cs1 472850457 NKEUALNJVVSVCV-UHFFFAOYSA-N 437.507 0.033 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1cnn(CC)c1 477009526 DMFULGFZXZHYKM-UHFFFAOYSA-N 441.538 0.991 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 478859438 SBIWUQUVWXXWHV-HOTGVXAUSA-N 425.510 0.840 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 481073879 MCIZZTGKUHCIQL-CYBMUJFWSA-N 433.490 0.327 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2sccc2OC)c1=O 481588792 PKFMGFPLHVACLF-CYBMUJFWSA-N 431.539 0.964 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)cc1 502919330 DAMUHLLBLRSNOA-UHFFFAOYSA-N 429.521 0.648 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 505629796 DKDWZUSAINNUOO-GOSISDBHSA-N 445.487 0.919 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N[C@H]1CCOc2ccccc21 506198237 AIQIDAZSEZENDI-KDOFPFPSSA-N 442.497 0.981 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 506626791 MHKXVQVUQPVQMM-CYBMUJFWSA-N 443.485 0.340 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508808921 IWBHDVZZHOELQH-HZPDHXFCSA-N 439.586 0.207 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 508886040 WGOUWGPXTJNYGQ-QGZVFWFLSA-N 448.549 0.723 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)n(C)c1=O 512726127 URFJGDAYMSGJRM-UHFFFAOYSA-N 425.436 0.720 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 522278960 FNWVEADDMLMISO-QGZVFWFLSA-N 445.495 0.464 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CCO1 523070898 TYWITBALVMDCER-KRWDZBQOSA-N 425.445 0.190 30 20 ICED N#Cc1ccsc1NC(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 532665465 UCQQXYLCOJOESK-UHFFFAOYSA-N 440.485 0.950 30 20 ICED N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](NS(=O)(=O)c3ccc(C#N)nc3)CC2)cn1 533150002 FNYBKTJXAWJEPY-HDJSIYSDSA-N 446.514 0.788 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(C)cc2)c1=O 533579564 WBAHZRIKOGZHIU-UHFFFAOYSA-N 449.536 0.786 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1 540271305 QVMQCWHRMSTJEU-OAQYLSRUSA-N 437.460 0.819 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 547962901 NJEIXVNGUHKYJU-AWEZNQCLSA-N 443.550 0.616 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 550591657 HRSPMVINALCNPP-SJORKVTESA-N 429.521 0.421 30 20 ICED CN(C)c1n[nH]c(C2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 556810242 DGNCAPKVTFJXNW-UHFFFAOYSA-N 431.522 0.769 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)ccc1C 566891899 GOWPCWDDQXEXRA-UHFFFAOYSA-N 428.518 0.931 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccncc2OC[C@H]2CCOC2)c1 567205536 OBNBDHODENHUDL-INIZCTEOSA-N 430.486 0.963 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 571241323 VZHXJJBWHDBJPN-MSYCTHLASA-N 440.500 0.966 30 20 ICED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 578383355 NOYLSDHIJYLBLK-SJORKVTESA-N 425.555 0.989 30 20 ICED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 582552686 INTVORVIKFJZQL-UHFFFAOYSA-N 442.549 0.973 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583924692 MZQWKQVEVOQEGM-QGZVFWFLSA-N 442.545 0.558 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 588019931 UKQOXPAHGBHMOM-WBVHZDCISA-N 446.533 0.388 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1 588127935 UFOICGNIKDSSFR-UHFFFAOYSA-N 446.939 0.527 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CN(C)CCO1 589138731 GTKLNPXUWDKJCY-RHSMWYFYSA-N 442.476 0.290 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 603795987 YNYFODOAZREGCG-UHFFFAOYSA-N 433.555 0.760 30 20 ICED N#C[C@@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCSC1 603888174 PVDXXKLTHUPILA-IBGZPJMESA-N 436.559 0.815 30 20 ICED C[C@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 612167092 HKMISUMNWUEGRN-OAQYLSRUSA-N 448.545 0.916 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669809311 FSCONNDNRTUXSD-AWEZNQCLSA-N 443.533 0.896 30 20 ICED C[C@]1(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726166138 ANDPUGCJLSOSGX-HXUWFJFHSA-N 441.469 0.096 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1 728534520 OCSFBIMWGRLNFI-UHFFFAOYSA-N 430.464 0.994 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NCC=C)c2)CC1 733149887 WLVMUFAUNAZTRP-UHFFFAOYSA-N 436.509 0.187 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 734226090 SPLWGKDSHFOWRD-WKRZDEFASA-N 449.533 0.563 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742486968 GMTVRLUNVAXFNM-INIZCTEOSA-N 449.577 0.564 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 747984078 NVOKTJWPYXCBNY-UHFFFAOYSA-N 437.478 0.044 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 750733891 WQKXWGVFMMCELG-UHFFFAOYSA-N 435.531 0.884 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 766264084 YSYZLWFDYYAYMJ-HNNXBMFYSA-N 428.536 0.750 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CCOC 766592475 UIEWJHHEXNUALT-UHFFFAOYSA-N 435.933 0.784 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 771460689 VRUPTPBWJUEBJM-UHFFFAOYSA-N 434.474 0.426 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCC4(CC3)OCCO4)C2=O)cc1 787410269 UTDXDIMHRASFSH-SFHVURJKSA-N 426.473 0.577 30 20 ICED Cn1c(CC#N)nn(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1=S 794629639 ZDOPNMHQHZYLQP-UHFFFAOYSA-N 434.547 0.836 30 20 ICED CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 798157175 ASHJFXKWFQZADB-QGZVFWFLSA-N 448.501 0.878 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1=O 798584558 CYWMPBIVTVHZEB-HZPDHXFCSA-N 444.531 0.098 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCO1 804104921 OHNOFDPLFDMXCL-JKSUJKDBSA-N 436.306 0.982 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(O)CCCCC2)CC1 913290370 PZQYVNYVSMMYTP-UHFFFAOYSA-N 435.502 0.630 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)c1 917768731 JUYDHSILLGCYCL-UHFFFAOYSA-N 443.525 0.317 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 917769943 ABUXEZKKUYJCRW-UHFFFAOYSA-N 427.482 0.109 30 20 ICED C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCN(c2ncccn2)CC1 1115908709 GOOBTPSOSBJWAP-AEFFLSMTSA-N 448.483 0.982 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1295083677 JTGKOOICFLUJFE-HNNXBMFYSA-N 425.493 0.874 30 20 ICED N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1505322708 SRRSIKNIVRISPD-OAHLLOKOSA-N 426.568 0.653 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1515734385 LISACGCZGMYNOL-RDJZCZTQSA-N 439.586 0.691 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1540823731 VDMKGXQCBCQOHQ-LLVKDONJSA-N 444.307 0.509 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c(=O)nc1O 1633271034 WQLZMVKZGGHXJG-OAHLLOKOSA-N 435.362 0.929 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)C1 1712875817 IGFNTWUEALXUBD-PBHICJAKSA-N 445.542 0.447 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCN2CCCO)c1 1712878928 MYUWRDYCEBXOKI-IBGZPJMESA-N 444.561 0.898 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1731179014 LIVBUGAQUUEWAR-MOPGFXCFSA-N 430.465 0.808 30 20 ICED C[C@@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1743368145 UEXGBXWNKKHLQU-CVEARBPZSA-N 445.549 0.719 30 20 ICED CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1750199204 ODNFOJMBEYVARH-IAGOWNOFSA-N 444.517 0.551 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760696930 VLAOKFIUPMYXSR-DLBZAZTESA-N 439.586 0.693 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1770344757 VYWHWIDAPVYWPU-LPHOPBHVSA-N 433.513 0.987 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778161707 JXPIZKICCYISPY-HXOBKFHXSA-N 442.516 0.761 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1779064963 LFNKMHHEJPPLPB-DVECYGJZSA-N 441.528 0.938 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136228 ISFDNVIIKKYMIB-XROZVMNBSA-N 425.489 0.493 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206863 GOGTYVJTLPIXQT-MPAHJKEMSA-N 445.516 0.855 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779224162 GZCSIYOIJSHJFP-JTSKRJEESA-N 438.488 0.695 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc3ncnn3c2)C1 1780547487 VMGNLGKLPWNPRU-LYHRCORUSA-N 439.516 0.824 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1780807022 GYYNDLWIZHASKK-IMAQQZIHSA-N 441.525 0.917 30 20 ICED 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 1781115798 UMXCZJNZJRQBIR-CJXDPKRBSA-N 443.566 0.362 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1781149715 AVTHHFAIRUCHNA-YCRNBWNJSA-N 441.532 0.587 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)ccc1F 1781300521 XJFACPHVHURKEV-OPAMFIHVSA-N 428.464 0.596 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355182 LPJDQMKHOZWSBB-VGSWGCGISA-N 437.537 0.896 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1783888498 JGXDSGBIVSUGIT-QSFXBCCZSA-N 440.500 0.661 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1783892511 AAVMMQVVMAYGQN-QVKFZJNVSA-N 445.545 0.641 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784313828 GZEBAHZCRKQADE-HRAATJIYSA-N 431.493 0.309 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cnnn1 1784598213 PZRILNQSHCUXPY-JLTOFOAXSA-N 427.440 0.317 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1788660893 QUHNASKHXCYETN-VXKJNVKJSA-N 445.520 0.952 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OCC)CC3)[C@H]2C1 1790722375 ZJCJQBZJROMLGF-ULQDDVLXSA-N 436.505 0.819 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791280356 LGBJLXYLSKAWFQ-NWZZKEMCSA-N 426.510 0.565 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793958626 JUNOWOINXHJTDB-VYCZESIESA-N 431.493 0.202 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c1Cl 1795580861 DINCFZWZXNCBKH-ZSBFGKGUSA-N 430.896 0.255 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12)C(F)(F)F 1796288928 GGXIQKHBXIUETR-PTEHBNRSSA-N 425.367 0.757 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796419432 GDJRDGNRWRVZMI-ZTENYAIWSA-N 435.481 0.702 30 20 ICED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)ccn1 1796744551 OVVONZIYDRERHU-SISPWIDOSA-N 442.520 0.715 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cn2cccnc2n1 1797389415 GRSTWMQVRXHJFN-DLUMSKLASA-N 425.493 0.404 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800202768 GOEPHCWAFJAEFO-CWLGOENISA-N 445.520 0.590 30 20 ICED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800492789 XUTBWHQLEDUOMC-SCNOPHJPSA-N 432.546 0.693 30 20 ICED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801300186 VUUACEISJPKDMH-JLVBRIDZSA-N 433.534 0.185 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811181956 ISZYFCZVOSBNHH-SIXWZSSISA-N 438.488 0.881 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C(C)=O)CC2)n[nH]1 1818964002 UVIOFURIXKGFBB-VQIMIIECSA-N 444.536 0.604 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)[C@@H](O)N1CCOCC1 1819446483 RAUCHUVZEHTSOL-XWMMLSLGSA-N 444.492 0.765 30 20 ICED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1821878764 WHFRRRCDKCTIQV-NWANDNLSSA-N 444.517 0.215 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1824490404 NMKYROHUPDAXNA-UGKGYDQZSA-N 446.592 0.809 30 20 ICED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829471834 OUOVTLSBTUOGGN-OAQYLSRUSA-N 442.476 0.020 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830211770 OXSKCJGBHYQYFF-HCLVMJGWSA-N 446.500 0.223 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c1 1830869446 ASFOBSPHQFKHCZ-DENIHFKCSA-N 431.489 0.654 30 20 ICED COc1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ccn1 1831209531 WEUYYDLUHVIIMX-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1831401392 BEFXALJILJDLEO-JLGINSKQSA-N 442.512 0.875 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832673126 XCHILOCGNLABFG-DEOSSOPVSA-N 435.480 0.969 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)CC1 1832772137 MKOPMBJXHICPTN-HKUYNNGSSA-N 444.532 0.915 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1833467817 BMFNWMICQFRPJE-IAGOWNOFSA-N 435.569 0.304 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1833704509 HKASQGPTDOFHQP-UHFFFAOYSA-N 425.599 0.748 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1833816122 XTMSMLUWNXLOSW-OAQYLSRUSA-N 432.477 0.364 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834568815 KCUUTWZOKKGSDY-UHFFFAOYSA-N 429.583 0.585 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604986 RBVBIIXXEWAGBF-INIZCTEOSA-N 441.536 0.470 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COCc3ccccc3)CC2)CC1 1834611328 RFACBFAEHRTVQB-UHFFFAOYSA-N 427.501 0.863 30 20 ICED Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834933538 VWOMVYYQFQYYBH-KWJZBXMYSA-N 447.540 0.827 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835718192 WSFNYBUWESNYQQ-APWZRJJASA-N 434.581 0.657 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1836592398 MOEQPIHXMYODNV-QFIPXVFZSA-N 444.484 0.815 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1837393156 LWOWJLYCWKPNDS-VGSWGCGISA-N 439.553 0.322 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1837396790 KKVMQGSCBBVTOT-HFJQGTKSSA-N 447.532 0.891 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837397034 LTFUKSHRJVQEDE-KSFYIVLOSA-N 443.504 0.372 30 20 ICED Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529775 YFTUVGLSKGHNEV-XGVOGHQPSA-N 434.493 0.922 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559757 GSGPZOZLHSZFFF-RORQMLAVSA-N 432.521 0.639 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1837701439 NFBAKIHUUJAJNX-UZUQRXQVSA-N 440.500 0.627 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838498529 OQYMPPXAGZZXKE-XOBRGWDASA-N 431.518 0.860 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907802 OHKGTANPVRGAJH-PGRDOPGGSA-N 426.473 0.249 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951032 UEHRVMKPDLSZSG-JOCHJYFZSA-N 428.489 0.400 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(C#N)c1 1839131992 LYPBPCUVUSVXAY-REWPJTCUSA-N 440.500 0.094 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@H]4F)C3)C2)c(C#N)c1 1839132498 HUDZHVSFJKQMMG-JQVVWYNYSA-N 431.464 0.924 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccno4)C3)C2)ccc1F 1839186715 KOSSONMPHGOLRZ-NRFANRHFSA-N 428.420 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839225231 CJTLHFNYFUQFNB-UCMHMESESA-N 436.509 0.079 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487673 DUDPVYLJVPDXFA-JTSKRJEESA-N 440.504 0.503 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552287 RSFVNKIVLWGTHL-FDDCHVKYSA-N 442.516 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584068 WZTMUTQTLOIYTH-KSFYIVLOSA-N 447.536 0.780 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807820 GREGQRZLAYYIJV-RTWAWAEBSA-N 439.484 0.425 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1839810443 XJWHTDIBPJNORU-SGTLLEGYSA-N 426.395 0.233 30 20 ICED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840022821 GVKQKBBFFMBEAF-SGTLLEGYSA-N 442.394 0.423 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840494244 UPNJIKMMTXQECU-VGSWGCGISA-N 448.520 0.718 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840830569 TZAPJCFMJFUYIC-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)C(=O)O 1840838779 CBDCQJPPGCUACH-MOIAGMBASA-N 431.420 0.798 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)CCO2 1840962075 GOFVCYYXSQAZFW-PNLZDCPESA-N 435.521 0.722 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c(C#N)c1 1845138611 VVLKEDIJJLVFAA-UHFFFAOYSA-N 436.405 0.038 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 9899432 HEBXPXRQMLIEKD-UHFFFAOYSA-N 435.527 0.778 30 20 ICED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 25943143 QFPUCOLPJWEZNK-AWEZNQCLSA-N 433.490 0.574 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 26080542 SZCUKMWNQFOJJM-UHFFFAOYSA-N 445.501 0.291 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 32684343 MLSVBASDUXXSTB-ZFWWWQNUSA-N 444.435 0.848 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 108793635 RVZZAVQKSFZCGS-CYBMUJFWSA-N 448.457 0.433 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)N1CCSCC1 410027353 HOKABNSERHJCLI-UHFFFAOYSA-N 436.563 0.645 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 431641003 TYORMFOPNYNIGJ-UHFFFAOYSA-N 425.488 0.914 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(OC)nc1 440392222 MZSUELDBJZECRJ-UHFFFAOYSA-N 435.465 0.797 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 441918752 ATDXZCFLGAGZCD-MRXNPFEDSA-N 445.516 0.741 30 20 ICED COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444506133 MTDARORVAZYLRF-UHFFFAOYSA-N 438.488 1.047 30 20 ICED C=CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)NCCN3CCOCC3)no2)cc1 445287404 WFXUDBSKKFSRHM-UHFFFAOYSA-N 435.506 0.192 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(F)c1 463067838 FUXNEXSFRFHWPT-GJZGRUSLSA-N 444.506 0.666 30 20 ICED CCCCN(C(=O)CN1CCOC[C@@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 464886606 BCJCTWVCPDFIHZ-KRWDZBQOSA-N 440.504 0.937 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 468026778 APUULMDJDVRDTJ-UHFFFAOYSA-N 431.518 0.769 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(C#N)cc2)C1=O 469947633 MADLSCXJJDAHBU-UHFFFAOYSA-N 427.442 0.852 30 20 ICED C=CCN(CC(=O)NCCCN(C)S(C)(=O)=O)S(=O)(=O)c1cccc(Cl)c1 475895983 IFWAVNNAYDCWHX-UHFFFAOYSA-N 437.971 0.914 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480950193 DFJJWAHCOSOQOI-UHFFFAOYSA-N 439.497 0.387 30 20 ICED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 484669564 GXQZFZHERGTWCX-UHFFFAOYSA-N 426.495 0.562 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 492481456 DQHRMZVHUCXAAQ-GOSISDBHSA-N 425.493 0.706 30 20 ICED COC(=O)C1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 522777662 QKNPTJQKNYSXMK-UHFFFAOYSA-N 448.545 0.857 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 533379399 IIFFRUBJCJVAET-NRFANRHFSA-N 441.557 0.989 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)ccc21 548058660 UDBRKNHDADCCOM-AOMKIAJQSA-N 440.504 1.445 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CC1 557177484 UQOLBASTGNGTAR-OAQYLSRUSA-N 441.576 0.114 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 559463865 RAGHNTCGYGJLKU-UHFFFAOYSA-N 438.532 0.552 30 20 ICED CCC(CC)[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 559583442 WEMXMMCRCBMGCK-FQEVSTJZSA-N 442.564 0.855 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 561706376 FBKRXEJRJNECHV-IBGZPJMESA-N 432.484 0.519 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 562254040 PCDZHNWHLIDUCX-UHFFFAOYSA-N 428.517 0.123 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)n(C)n1 562595714 KQECWSSCIXTRDT-SFHVURJKSA-N 447.503 0.964 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 571271674 ZCWJUGRRDSEBEG-UHFFFAOYSA-N 429.502 0.840 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCn2cc(CO)nn2)ccc1OCC(F)(F)F 571576368 WFVHZZZJCJEORI-UHFFFAOYSA-N 426.355 0.728 30 20 ICED CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 574718765 SFQUDUGQFQJBHN-GOSISDBHSA-N 434.456 0.840 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 579654496 XYSJDOWZLWCELT-UHFFFAOYSA-N 449.577 0.579 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 582929627 OPDYEXCZNOWZAG-FPOVZHCZSA-N 428.533 0.778 30 20 ICED N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 604135574 RYUAFODBMVDYPD-UHFFFAOYSA-N 438.513 0.878 30 20 ICED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 604502280 MDGFPHUUJIBKRT-UHFFFAOYSA-N 443.525 0.738 30 20 ICED N#CCCn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 609793827 WQTFYBMGIIWHJP-UHFFFAOYSA-N 425.492 0.618 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CCN2C1=O 619683843 QHYMKGUQMPBIBS-GFCCVEGCSA-N 439.350 0.890 30 20 ICED CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 731448566 AUPRRPUNJOCKHC-CQSZACIVSA-N 427.548 0.931 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 732562615 GKBRFHCAFRUGPO-UHFFFAOYSA-N 448.508 0.020 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)cc1 735823516 IFGOGFRITGWYMN-GOSISDBHSA-N 447.538 0.823 30 20 ICED Cn1cc(N2CCC[C@@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 741831479 MBQAXHBZFOZOCZ-MRXNPFEDSA-N 445.501 0.978 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n([C@H]3CCOc4ccccc43)c2=O)cn1 742142924 CNZJIWFESNKJBP-SFHVURJKSA-N 447.520 0.797 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 746127334 YBMWTMLIKMRJJF-MRCUWXFGSA-N 430.436 0.792 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 747977743 XTIWQWMDEYRHOM-UDWOFDDZSA-N 437.522 0.998 30 20 ICED C#CCN1CCN(C(=O)CN2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)CC1 748813049 PTCIYIMRPVYJME-UHFFFAOYSA-N 426.561 0.940 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@H](S(=O)(=O)NC)C3)nc12 749794173 UYKDDCODRFEYGW-ZDUSSCGKSA-N 434.547 0.947 30 20 ICED CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 753927092 ADLDADZUIFNHLU-IYBDPMFKSA-N 427.552 0.996 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)[C@H](C#N)C1 755551601 MKZORDMLWPOYAI-TZMCWYRMSA-N 426.437 0.476 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 760117956 IYTWTNLQWHFTCT-UHFFFAOYSA-N 429.454 0.901 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 761031705 ARKPIFGTFGDSPM-UHFFFAOYSA-N 443.367 0.493 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 761035544 ALNUUIVIODPKKX-INIZCTEOSA-N 433.534 0.226 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 761039058 UCHKRZOLRMKSME-CYBMUJFWSA-N 425.467 0.016 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 762607455 XYGWGNDNBBSJLI-ZDUSSCGKSA-N 446.489 0.357 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N=C3C[C@@H](C)ON3)CC2)cc1 765383302 GDSROTCCGFXNHG-CQSZACIVSA-N 438.506 0.547 30 20 ICED C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 765777991 BVNKSDUSOBXPDC-UHFFFAOYSA-N 431.518 0.957 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 766263450 SYDGTNATYRINSZ-WFASDCNBSA-N 428.536 0.483 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c1=O 766985790 HFIACJYCDHQOIV-UHFFFAOYSA-N 442.453 0.568 30 20 ICED Cc1cc(=O)n2nc(COC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)sc2n1 767678794 KYAICPDHPANMGH-NSHDSACASA-N 433.471 0.741 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(C)c3C)n(CC(N)=O)c2=O)cn1 772310722 CAAKQTJSVZOHEY-UHFFFAOYSA-N 433.493 0.695 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)cn1 781104527 WTFHVHGJFIDEIM-HNNXBMFYSA-N 446.533 0.122 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 783347602 KIPAXXTXFASAOO-UHFFFAOYSA-N 446.485 0.889 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 783482014 TXHZTCPYZZYKRB-INIZCTEOSA-N 430.486 0.527 30 20 ICED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 785210187 HDGJJZAKEDQMFN-MOPGFXCFSA-N 431.452 0.450 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 786706644 LAOOGHAJOAQEQP-INIZCTEOSA-N 429.477 0.416 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(N4CCOC4=O)c3)CC2)c1C#N 788339680 OCNQKJFCHMVINC-UHFFFAOYSA-N 437.460 0.844 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)cc1 791324959 CWXQDDKWJLMRRY-SILNSSARSA-N 439.519 0.738 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CCOC)c2)c1=O 794577898 BFKQUMVIAYUKNJ-INIZCTEOSA-N 428.514 0.437 30 20 ICED C=CCN1CC[C@@H](OC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 798572337 PWHMXLCOLOTCTG-QGZVFWFLSA-N 437.518 0.777 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 800778993 KBWXLPDQROVQKS-LLVKDONJSA-N 438.476 0.969 30 20 ICED CS(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 805330389 OSLNIXIEZWCYSX-UHFFFAOYSA-N 438.483 0.862 30 20 ICED CS(=O)(=O)c1ccc(OCCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 805342001 XDAAEWKJESXDOM-UHFFFAOYSA-N 438.483 0.751 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 808215887 DKNNNMYPYLBYBK-HXUWFJFHSA-N 446.511 0.909 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(C(=O)N2CCOCC2)CC1 913404977 VPEOYUXHSGSPCU-UHFFFAOYSA-N 448.545 0.603 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCOCC)CC2)c1 915264865 JKTGBTJWGDATAK-UHFFFAOYSA-N 435.546 0.993 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)ccc1F 918067187 BZXOTKWPHCRYMK-CQSZACIVSA-N 433.527 0.834 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 919318613 KRDKGUCGGGRWJM-QGZVFWFLSA-N 436.486 0.818 30 20 ICED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1286868596 NYQNIOIAZCCVLR-JOCHJYFZSA-N 440.504 0.939 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 1318289827 SNYFXPIUAROEHX-KBPBESRZSA-N 425.536 0.690 30 20 ICED COC(=O)C1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1320093538 ZQHWVDYHZSNWPZ-MRXNPFEDSA-N 428.445 0.849 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCc3cccc(OCC#N)c3)CC2)cn1 1339430879 AYEPBBOEEJNTOP-UHFFFAOYSA-N 432.506 0.975 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccsc2C#N)CC1 1538933022 JIQHQAZMLAOLJD-UHFFFAOYSA-N 449.558 0.942 30 20 ICED CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541607266 KOKLPQJSMJMCPY-WMZOPIPTSA-N 435.598 0.697 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1547900677 KMDWUCCZVXDMEQ-RTBURBONSA-N 440.570 0.952 30 20 ICED CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1613901554 KHHJLQQKEUKHOB-CQSZACIVSA-N 428.497 0.482 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1618502205 YPDOPLKIEGNKHA-ACJLOTCBSA-N 425.559 0.791 30 20 ICED Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC23CCOCC3)cn1 1627978959 PCIWMCMUOGHOEP-IBGZPJMESA-N 443.529 0.993 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1635345961 KJKUIHWFTCILLE-CQSZACIVSA-N 429.882 0.285 30 20 ICED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690327580 UIPQSPMVVDAIKX-UHFFFAOYSA-N 432.916 0.989 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1707807703 JYAQVFBDERXKGC-NVXWUHKLSA-N 427.557 0.972 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1709448609 MPJAOWNYHGRRJM-WBAXXEDZSA-N 444.533 0.604 30 20 ICED CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1710320612 UWGWOWBPHPAVRC-KUHUBIRLSA-N 438.529 0.929 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOCC1 1741931395 NQTKRILFRKXQSN-LPHOPBHVSA-N 439.586 0.741 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745201292 NVPNUJHMNJQYHO-JQHSSLGASA-N 442.568 0.958 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749267063 OAKYHQNAXAXHNN-KBPBESRZSA-N 428.946 0.986 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCOCC2)cc1 1771534723 MFIRQGHJBFIZGW-SFHVURJKSA-N 439.520 0.763 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778721429 FIYLQCZJIVVNQJ-IYZQMXKPSA-N 438.484 0.232 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910586 NXXNXEAJTYRMCG-ZJSXRUAMSA-N 446.592 0.858 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779056349 FPNAEMQSXLBCCK-NXUSNIPQSA-N 429.525 0.579 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069785 YGRYGDOPFKYYFA-HSZRJFAPSA-N 427.501 0.736 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(=S)NC)C2 1779336765 UPINGIGYJZLBKX-GCKMJXCFSA-N 440.610 0.557 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Nc2cnccn2)C1 1779389882 MSIFCAINXUECMC-WYADAEROSA-N 429.521 0.829 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1780596271 YDLLYOCKLRODSR-QFIPXVFZSA-N 434.456 0.255 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1780696497 RQUZYLZNHZIIQG-QFIPXVFZSA-N 434.456 0.255 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c(C#N)c1 1781172819 GTJNQRFWMPGQIN-HSZRJFAPSA-N 436.468 0.886 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1781265877 VIKOLRLALQUPKA-JOCHJYFZSA-N 444.488 0.993 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781343017 RHMJGIIUUWJKOQ-VGOFRKELSA-N 437.537 0.896 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961252 JUCJJXPRHRHWIH-VBKZILBWSA-N 437.493 0.822 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963342 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439.468 0.265 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831184923 JKQAOBWEAGOAPE-CUDRYGEXSA-N 434.493 0.070 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1831216287 IZTGCMAWMPLDKO-NRFANRHFSA-N 442.497 0.239 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831391286 MFSRSEWIWCYWKZ-QVKFZJNVSA-N 435.452 0.338 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831396006 FYRMPUMCRXVREK-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831396625 HJVXUPCFFSMTOX-SBUREZEXSA-N 443.475 0.735 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831398605 HXFWSKGKTOYBAL-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832375474 SBOSLBODRUANOY-VGSWGCGISA-N 432.521 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCc3cn[nH]c3)CC2)CC1 1833073965 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BYYCHWRMSFIVSX-DEOSSOPVSA-N 445.479 0.851 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835115211 XOVJRSVPBBVPOH-WMZHIEFXSA-N 440.500 0.226 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835364864 JBJQNXCMLJWQQU-OAQYLSRUSA-N 436.509 0.615 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376711 FSTBNUUOCSTAME-DEOSSOPVSA-N 447.576 0.627 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835695874 QTJNNVOEWDYHEO-VWNXMTODSA-N 449.511 0.652 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1835713401 VUFJOJHUPCROJA-ZWKOTPCHSA-N 438.569 0.194 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)ccc1F 1836172587 VVPAMDCJLGPWDI-JOCHJYFZSA-N 441.463 0.593 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836372646 GUBISYIHLWLTKN-HXUWFJFHSA-N 431.625 0.997 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837294890 QHLCUMXOZPWXRZ-DENIHFKCSA-N 442.472 0.727 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1837395240 VBNUDPNUZZBMQU-HTAPYJJXSA-N 433.505 0.028 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1837402233 FVYXSHIHAAHNEJ-CVDCTZTESA-N 448.564 0.609 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CNC(=O)C(F)(F)F)CC3)CC2)CC1 1837792529 JVFAWVTYQGDWIC-UHFFFAOYSA-N 430.427 0.967 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681795 XHGIQGDHGXYLQB-QINHECLXSA-N 426.466 0.043 30 20 ICED C#CC(=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 1839810830 URTFZNOODRSVHE-PAODICLVSA-N 433.505 0.189 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839842709 DRORDZRQWQIDHO-QVKFZJNVSA-N 434.493 0.381 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1839889342 PKLXFTJZIGOFNV-DNVCBOLYSA-N 431.480 0.959 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840176543 FVPWAJAACWAQOO-QXAKKESOSA-N 432.539 0.013 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCN1 1840229114 ZFQPMXKYBLDFFI-WMZHIEFXSA-N 425.485 0.021 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818092 JGDUZNLILMTGRY-UNMCSNQZSA-N 431.489 0.410 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1845188332 JPKKFYOWDFITKH-UHFFFAOYSA-N 429.477 0.343 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196427 XVNISWVXJOSXJP-MRXNPFEDSA-N 431.489 0.975 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847342887 WDSAHRBYAPPNGK-JYJNAYRXSA-N 437.541 0.929 30 20 ICED C=CCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15508652 XKIAGYAXMWLUEU-QGZVFWFLSA-N 441.575 0.861 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 21826541 IXHGGTLVDMVCTK-CQSZACIVSA-N 437.474 0.985 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410409521 XMEZULOLYPQVLY-RDJZCZTQSA-N 426.514 0.769 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(N(CC)S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410414392 RMPPNKOSBRPWTN-JKSUJKDBSA-N 448.615 0.445 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1 440955529 XOUXPNZRYMUCIY-QIBQCXCESA-N 430.530 0.092 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 442002586 PCBLHMQRKNCZBN-ZDUSSCGKSA-N 425.367 0.369 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 443025869 KNXXLWJQCGLYOA-UHFFFAOYSA-N 444.473 0.879 30 20 ICED CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 447418111 PHVRQOYEXUUTKZ-JOCHJYFZSA-N 438.488 1.574 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 465057027 CEPGMLDOPNPXHF-OIISXLGYSA-N 447.517 0.597 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)n1 471393608 VYCQABCDFOZNOR-OALUTQOASA-N 431.562 0.809 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)c1C#N 471996411 XPHFVYCTOCYYOL-UHFFFAOYSA-N 427.513 0.483 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1[N+](=O)[O-] 478854994 LQAPMSOBYXAONA-ZDUSSCGKSA-N 429.454 0.862 30 20 ICED CCc1nc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 481754825 JAFWMHVUHVRQKA-AWEZNQCLSA-N 432.506 0.515 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488249521 MHOHEXNFZMYVFV-IBGZPJMESA-N 426.521 0.511 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CCN3CCOCC3)c2=O)o1 489034551 CPJLMOWARSKCIB-INIZCTEOSA-N 443.525 0.252 30 20 ICED Cc1ncc(S(=O)(=O)NC[C@H](C)N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489888466 PCICGFLMAVQUIK-LBPRGKRZSA-N 448.530 0.824 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 490821898 DEIYKPSSWOXGHS-IBGZPJMESA-N 439.520 1.000 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 511759816 ZSCGVDLAUAKXGX-LLVKDONJSA-N 448.423 0.836 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 522280141 WXKXOMVASAUZKL-HZPDHXFCSA-N 442.563 0.527 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2Br)c1=O 523088804 DKKPWZFFXTXFLL-UHFFFAOYSA-N 436.331 0.958 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOCC 523088836 JFSJEELHXLNZAI-UHFFFAOYSA-N 445.497 0.440 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 523667327 YRAVNHFZPZDOCC-GOSISDBHSA-N 448.545 0.980 30 20 ICED N#CC(C(=O)c1cccc(Cl)c1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 524749224 VKTDFVXSIXKWEC-UHFFFAOYSA-N 438.852 0.899 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)s1 531655352 GIEZBTHOXUMYMI-UHFFFAOYSA-N 443.481 0.990 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)nc1 539180733 OGUIVVHGUBZATG-KRWDZBQOSA-N 446.467 0.446 30 20 ICED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 550204199 DTLLDQSPLYOFSF-IAGOWNOFSA-N 428.537 0.606 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1cccc(C#N)c1 554585124 ZOWSLGROZIUIMV-IBGZPJMESA-N 449.554 0.999 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 554768694 QGCDMEFGJALVTI-HNAYVOBHSA-N 430.505 0.644 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)c(F)c1 558039302 GKQVDYGSBVCNDC-OALUTQOASA-N 443.523 0.963 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 559672157 BXVCBQXCSQLORM-UHFFFAOYSA-N 441.576 0.847 30 20 ICED CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 568863164 UBMAXEPGDMUICM-AHRSYUTCSA-N 425.533 0.964 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 572908531 JZCQIMBNVFOYGH-UHFFFAOYSA-N 449.352 0.667 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032568 RDASKDLDUHAGPG-CYBMUJFWSA-N 431.478 0.006 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 578267591 SAXKQJJXKTWJKK-UHFFFAOYSA-N 449.577 0.579 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)c1 580369941 LKCQLSOSNWDXGB-GOSISDBHSA-N 433.472 0.309 30 20 ICED COCCO[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581242489 NEHSTZJATZVSSQ-RTBURBONSA-N 428.489 0.429 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)CC2)c1C#N 582931090 HICPRHSPIOOJHQ-QRWLVFNGSA-N 432.550 0.420 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 585688300 ZNUQRIHXRNOFTG-INIZCTEOSA-N 449.577 0.998 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCOCC1 586845805 GHZLVJBEHGBJPX-HNNXBMFYSA-N 430.509 0.157 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2F)c1=O 604270083 OYTXFCLQTWCDCY-UHFFFAOYSA-N 442.516 0.699 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCc2cnn(-c3ccccc3)c2)c1=O 622187887 LKZYUYLTOSTFTL-UHFFFAOYSA-N 436.472 0.088 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc3n(CC)c(=O)c4ccccc4n23)C1=O 726042467 JHCSEKAZUJBDBG-UHFFFAOYSA-N 438.400 0.084 30 20 ICED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 727160664 HTDNAQQREMEZKQ-UHFFFAOYSA-N 434.905 0.085 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1=O 727426377 RETQIDWUTGKRTI-UHFFFAOYSA-N 443.504 0.605 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861890 ROAFGFYBNLCEMI-HNENSFHCSA-N 434.474 0.200 30 20 ICED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908457 LTVZPAAWLBYKOW-QGZVFWFLSA-N 438.527 0.982 30 20 ICED C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC(=O)NC1CC1 733832316 IHLDVJBGESQJCA-NHYWBVRUSA-N 427.417 0.683 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 756073624 QHXREQAVJNKNFL-XSOQZJFOSA-N 443.551 0.784 30 20 ICED COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 757288955 HKOGKJVGKNEELU-JCMHNJIXSA-N 438.506 0.753 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758066603 CWKFDGOTZOKDLR-UHFFFAOYSA-N 440.481 0.497 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 758480277 QWMILMXSPZHHOA-ZBFHGGJFSA-N 443.570 0.554 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 763249810 HDALNAOQCJPCOD-UHFFFAOYSA-N 431.470 0.026 30 20 ICED COC(=O)Cn1cc([C@@H](C)OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 770705115 KDTKPVOSQOXDSU-IUODEOHRSA-N 440.416 0.832 30 20 ICED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Br 771889308 APQJYCLTDZIFFE-UHFFFAOYSA-N 445.295 0.558 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3ccc(OC(F)(F)F)cc32)c(=O)n(C)c1=O 771891348 MYVUEDJLTPJFOH-UHFFFAOYSA-N 432.380 0.611 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 785047683 AEGCOCFVVNHFOT-JNCAFBRLSA-N 437.522 0.454 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 785881598 MLJDUTPRDWTRHO-ROUUACIJSA-N 433.553 0.495 30 20 ICED C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)NC1(C#N)CCC1 787582519 UNWNVXUDXICJOW-CYBMUJFWSA-N 436.490 0.278 30 20 ICED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788340362 UOLCTVGPDNEMAI-UHFFFAOYSA-N 439.476 0.521 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccsc1 790434394 SAEJYJGLQNEGFV-CYBMUJFWSA-N 428.539 0.953 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2c2nc(C(=O)OCC)cs2)c1=O 790483320 QDVFLDAWSGFSLY-OAHLLOKOSA-N 447.517 0.972 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)[C@H](C#N)C1 803106308 UTDRCUUTVUKJKM-TZMCWYRMSA-N 448.505 0.716 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 803139429 CPYSXXRRMMEDEI-UHFFFAOYSA-N 441.513 0.333 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808038084 NWHMYQZALYCTPL-IAGOWNOFSA-N 442.520 0.975 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 913023091 HYKDHPRGCSFCOI-UHFFFAOYSA-N 426.454 0.902 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 913360779 FLCYYHKGYHMWIJ-LBPRGKRZSA-N 435.433 0.620 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 915477063 AGSIIRGNNIEVTM-TYILLQQXSA-N 425.507 0.945 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnn(C)c1 916821707 RHVDMSNLIVOKTN-AWEZNQCLSA-N 439.519 0.378 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1288872810 ZRAFQXQMFQUZOY-AHIWAGSCSA-N 440.551 0.586 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300845616 YPKKVOGHILWKIY-STQMWFEESA-N 427.303 0.479 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1318619423 ZPCXUGRZOJAGCD-FQEVSTJZSA-N 426.521 0.487 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)C(=O)OCc1ccccc1 1320239732 ZFHWNLCIFVHREJ-INIZCTEOSA-N 431.470 0.336 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1502370524 LMSGKAVYJVQAKQ-YVEFUNNKSA-N 429.522 0.493 30 20 ICED CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1617378084 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CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840039497 VFPUAGVQJYKQIW-NPFVIJTESA-N 448.520 0.756 30 20 ICED Cc1ccc(COCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840041980 SVZPZMOAIFKYIB-QHCPKHFHSA-N 444.484 0.364 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1)C(F)(F)F 1840409776 DDXAWIJXUGLSHU-KRWDZBQOSA-N 430.383 0.430 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410427 FDBIPHFHSGTCOE-UZLBHIALSA-N 435.481 0.113 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)c(OC)c3)CCO2)C1 1840681046 JEZRSMOFAJIKMB-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccc3F)CCO2)C1 1840684667 XSSJKGWXKJPJEX-OPAMFIHVSA-N 434.464 0.943 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1840818885 CWFZLDVMVSXRNO-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840841340 RAEROWYMSFUPEX-QFIPXVFZSA-N 448.541 0.720 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880095 WDQZTBSJVGSDAK-UKKYDJSUSA-N 445.472 0.823 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840905845 RJZPVQKTNKUVHO-IERDGZPVSA-N 435.546 0.500 30 20 ICED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1845179574 BYMLXZQQPQJBMY-INIZCTEOSA-N 447.536 0.865 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1848074266 SHFJQJNLXJVVMF-OALUTQOASA-N 430.530 0.413 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(O)cc1 1848128686 CKJGWWVJKOHWRR-BVBHFADKSA-N 438.484 0.689 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16937721 XUECMLJMIIUTTR-CYBMUJFWSA-N 440.478 0.707 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 23579331 SBIONXYXVIXTQO-UHFFFAOYSA-N 444.897 0.691 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 409524221 XGHAJMNGGAFUEW-HNNXBMFYSA-N 430.552 0.728 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cc1 410103661 CWXIZYQXXNPPHR-SJORKVTESA-N 442.563 0.455 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](O)Cc3ccccc32)CC1 434678693 JQRIAFUOWLSWLN-LJQANCHMSA-N 440.525 0.815 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)n2)c(Cl)c1 437332776 AEMJUTMJRRXTGE-LBPRGKRZSA-N 436.881 0.615 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 440261756 ZRERAAOCIHHLIX-HNNXBMFYSA-N 438.506 0.129 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 440287564 AFFXTTCCHBWSAX-OAHLLOKOSA-N 429.458 0.882 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc1 442353509 UAZBXJJIBFYIGE-ZBFHGGJFSA-N 425.507 0.742 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 447202550 YYRXQHGPWDLUJI-UHFFFAOYSA-N 440.551 0.117 30 20 ICED CC1(C)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS1(=O)=O 447457085 BTHWDDSLEHVMPZ-UHFFFAOYSA-N 433.465 1.247 30 20 ICED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cnn(CC(=O)OC)c1 462292835 XUEHXUJUAQYINN-CQSZACIVSA-N 431.478 0.970 30 20 ICED Cn1c(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c(C#N)c(=O)n(C)c1=O 463071018 JNSFNKBZRNMTAM-UHFFFAOYSA-N 437.547 0.846 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 467324629 OYUMZRDNUMGURL-ZDUSSCGKSA-N 429.520 0.077 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4c(C#N)c(C)nn4C)CC3)CC2)o1 472159755 RXSHHAZDXZDLTO-UHFFFAOYSA-N 437.508 0.239 30 20 ICED CNC(=O)[C@H](NC(=O)CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 475762336 TYPKKUQFAQZWRS-HXUWFJFHSA-N 444.513 0.799 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2ccccc2Br)C1=O 484013326 KXNQNGBBYOWBLC-NSHDSACASA-N 440.250 0.282 30 20 ICED COCCCNC(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 497490729 HUATZCMYVOVDMO-UHFFFAOYSA-N 432.525 0.368 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 516499024 BTSQBDBYQQHJRN-UHFFFAOYSA-N 448.457 0.171 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C1=O 522248515 HDGOOYWCPGFOTM-UHFFFAOYSA-N 429.429 0.557 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523864817 DYLNMERTQBQFKH-UHFFFAOYSA-N 435.509 0.208 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccncc3)c2)c(=O)n1CC(N)=O 524749187 HWSNIVXTPGPDJJ-UHFFFAOYSA-N 447.520 0.485 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038301 RQWBNFQKOBQDTA-QGZVFWFLSA-N 439.537 0.846 30 20 ICED C=CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 533065574 SOGFWAOGWIWQMA-QGZVFWFLSA-N 444.575 0.761 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 533584579 AFCAXFQQLXWBHG-UHFFFAOYSA-N 428.536 0.280 30 20 ICED CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c(OC)c1 534901160 MAYSDFUQEBLNNR-UHFFFAOYSA-N 430.552 0.971 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2=O)cn1 541145557 JKICWFSZBCXOJQ-HNNXBMFYSA-N 436.407 0.477 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc21 551540336 VDNZXQPPFZHSSL-UHFFFAOYSA-N 445.483 0.941 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558055306 DITKHFXLEHIFTO-PMACEKPBSA-N 441.532 0.345 30 20 ICED C[C@@H]1[C@H](N2CCCC2)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558138077 RTPZCECESFDYPD-UYAOXDASSA-N 445.589 0.950 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 570753401 DBBHEOHZROFMLY-VQTJNVASSA-N 440.548 0.486 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 570789849 ALQALAUGQNCASC-INIZCTEOSA-N 429.510 0.625 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)c1C#N 583941621 YCSATXWTOPTVTE-UHFFFAOYSA-N 444.608 0.533 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 588236461 YCSXIRHUUPRUDB-NRFANRHFSA-N 440.592 0.733 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 589031971 XEECKSZAXWZEEJ-CYBMUJFWSA-N 427.914 0.927 30 20 ICED Cc1c(NC(=O)C(=O)NC2CCN(CC#N)CC2)nnn1CCOc1ccc(F)cc1 590223355 ICNKFSKIRLGHMF-UHFFFAOYSA-N 429.456 0.847 30 20 ICED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(F)c1 609253229 UIGSZTYGYIGDNB-UHFFFAOYSA-N 435.437 0.605 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 735849963 PQVRNTNCFOQYIR-FCQUAONHSA-N 437.500 0.636 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 748525373 ZZFIMSZMUHDAGP-LSDHHAIUSA-N 434.518 0.936 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C)C(C)(C)C#N 749748976 QFFPTKHRXVJSTM-UHFFFAOYSA-N 439.490 0.633 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc4c3oc(=O)n4C)CC2)o1 757803397 PAXXQDZADTWJDV-UHFFFAOYSA-N 425.401 0.805 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 758393274 VODUUSVFXFSYIR-LSDHHAIUSA-N 433.513 0.829 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763921845 XJUIFCYJHMFHRO-UHFFFAOYSA-N 434.474 0.520 30 20 ICED CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)c1 781104045 JZVPKIUHMHZDJR-INIZCTEOSA-N 433.534 0.585 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 782908073 XVJWQULFOATOPE-UHFFFAOYSA-N 431.468 0.965 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 787760723 VGPPPJXORVZELR-GOSISDBHSA-N 436.472 0.915 30 20 ICED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 789405600 ZBWOFFCKEBBSBM-ZDUSSCGKSA-N 439.428 0.554 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 789840118 DIHFPDIUCFSPJX-LJQANCHMSA-N 432.496 0.648 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806609669 CZQQMUAMVAVKJB-UHFFFAOYSA-N 445.541 0.910 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)n1 809329022 JANRYWBGPUJUFG-UHFFFAOYSA-N 439.516 0.833 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 811043154 WYFOJKZBBCVIHQ-QWHCGFSZSA-N 427.483 0.445 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)(F)F)C1=O 814707925 ACXJSOQEVUPRRU-GHTHLWOPSA-N 434.490 0.925 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 815861290 AEMJZIBUFIAUAL-UHFFFAOYSA-N 446.573 0.822 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(Cl)c2)c1=O 838173160 JZZUCHVPOXGLJE-CYBMUJFWSA-N 435.933 0.864 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(N)=O)c1 918281080 MHZJMMHZFYNLCP-QJOMJCCJSA-N 437.522 0.600 30 20 ICED N#CCCn1cc(C(=O)OCC(=O)N2CCNC(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 920908225 XBLGSXWXHLACSF-UHFFFAOYSA-N 426.389 0.487 30 20 ICED C=C[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1116648886 JEQIVIWEQYQWDJ-INIZCTEOSA-N 427.498 0.756 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1315737540 LEIHZCOTXWQQRS-BASYENTBSA-N 427.502 0.674 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCSC1 1541926558 UPJRHLZMTZUOLX-DYVFJYSZSA-N 428.584 0.886 30 20 ICED N#Cc1cn(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(=O)nc1O 1596785102 IVWXNPLIBJYNQS-UHFFFAOYSA-N 431.836 0.224 30 20 ICED N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)N4CCO[C@@H](C#N)C4)CC3)n[nH]2)cc1 1670211699 POSGOQYDIHRKDL-KRWDZBQOSA-N 427.490 0.540 30 20 ICED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1746950598 OUBHWCLGYHMVBP-MZMPVIPJSA-N 440.570 0.948 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C3CC3)CC2)c1C#N 1751828284 XCSIPSQDTAYLNE-CYBMUJFWSA-N 433.542 0.463 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1751982695 NVRRXCGJXJWONG-OAHLLOKOSA-N 437.504 0.766 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1771529601 QRNGLNUCZMUHOY-YJBOKZPZSA-N 426.518 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778538566 XZXGHEVTMWZZFD-LXHZQTKUSA-N 441.463 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207054 SMCLTVNHSBGHMT-OLSDNLPYSA-N 429.473 0.320 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779280306 LWSQMUZFTJSIDH-HJPURHCSSA-N 440.500 0.630 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)NCC)C2 1779334980 COIGEWSDWLXLCV-MPWIWIEXSA-N 438.569 0.781 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1779423178 HPNDGIZCGVQYPQ-HLZPJYFYSA-N 435.481 0.772 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1780802947 NZDFEFXQKLOJEV-WOCWXWTJSA-N 445.582 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783344879 XQEQADFESPPCNE-UXVRIJBLSA-N 428.533 0.892 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)CCO2)C1 1783896194 YHBHPZUNSRYTJH-QEEYODRMSA-N 443.566 0.771 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1783896353 YRJQNAPTPCAWCX-FUOQNJDISA-N 433.574 0.770 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784545193 CRKAQEHMMHDZIS-VGSWGCGISA-N 429.521 0.961 30 20 ICED O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784801951 MAHPLBMCXGOFMN-UFYCRDLUSA-N 435.480 0.333 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351324 JYLJNZPCNRXODQ-NRFANRHFSA-N 434.493 0.070 30 20 ICED CC(C)OC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785582350 ZGLZUTWFLOFWSV-XIRDDKMYSA-N 443.456 0.328 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787871526 PUCLKECRLGGCAD-VERUCKTNSA-N 440.500 0.687 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nn1C 1788653191 XVRRSRVDBQLTRX-OONZPKAESA-N 447.536 0.780 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1788656253 MOWPSOIBARETON-MOFWARSWSA-N 448.476 0.208 30 20 ICED CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)C1 1788660241 CVQMYQOTDCLKLB-YDBNCOSNSA-N 436.553 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CN3C(=O)C=CC3=O)cc2)CCC1 1791690104 PFSHKGKLOUUGAO-HJWRWDBZSA-N 436.468 0.904 30 20 ICED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1)C(=O)C(=O)O 1792940439 KVSZWXNRWXDQPO-BCDXTJNWSA-N 426.473 0.672 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1793362330 MUPSFQQBQMOIGM-RDPOXOKHSA-N 429.517 0.987 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)OC(C)(C)C 1793624838 OJLVRUHEPDSNGN-NXOAAHMSSA-N 437.537 0.918 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796102581 WAVKVUHYLDUVGE-JLVBRIDZSA-N 427.461 0.442 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785373 PTTBOTGXVPOFLN-XEMDLRDOSA-N 449.548 0.799 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797816046 FCJYANRUSURNCU-UINAKDQVSA-N 445.516 0.709 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)c1ccccc1 1797881825 DLEQYTZRZNTBDW-ZBNTXBBCSA-N 449.507 0.698 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797927093 UNJLGZDYJTYVFB-UGNRZPKXSA-N 433.549 0.579 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798484382 CJGYDAOPTILJTM-RCLSDMTESA-N 431.920 0.980 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799926871 ZQKCKOUMDOYPRL-OGJZTQIZSA-N 428.533 0.884 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347663 HJBCWFFFSPEAMY-FUHIMQAGSA-N 425.489 0.879 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CN4C(=O)CNC4=O)C3)CC2)cc1 1806582383 RQRFDTNYEQIYTO-UHFFFAOYSA-N 437.500 0.884 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695656 MCFYHDBPAWOUPG-FAKZEWNXSA-N 445.520 0.339 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1808369794 QBTKJVFKESGSQX-UWFIKMFOSA-N 431.493 0.751 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1808439425 PEEVXHGYPLGOGD-PXNSSMCTSA-N 426.477 0.889 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)c1 1810488427 QZAPROISKMNHHG-UHFFFAOYSA-N 435.448 0.171 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1822024827 ZGANGGIKPPOJQD-CYBMUJFWSA-N 438.469 0.792 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899023 QWEUJRZOYWXAKK-NZQKXSOJSA-N 426.517 0.651 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)o1 1829902095 HIKZYNPCXMFYAH-JOCHJYFZSA-N 439.472 0.491 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831188278 LQIWMMORBMSGSP-ZHRRBRCNSA-N 428.489 0.543 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc(F)cc2F)CCO3)c1 1831965878 KMBVFJDRUXVBOB-FQEVSTJZSA-N 431.399 0.943 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(C(F)(F)F)CC1)CCO2 1832150811 FDPIRIUOAPZGMC-JFIBYHEFSA-N 446.422 0.900 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(-c5ccccn5)nc4)CCO3)C2)CC1 1833292090 SWXRIISAIRGEHI-HSZRJFAPSA-N 448.483 0.912 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833420992 XTZOIZCZKYTIOF-ZDSQJECRSA-N 448.612 0.944 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)ccc1F 1834106536 YCWGODHUICIHDT-OAQYLSRUSA-N 427.436 0.733 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835350967 SBTOLQWBLXJPBB-INIZCTEOSA-N 441.536 0.901 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665538 XTPMPYQMCNFVTE-UHFFFAOYSA-N 447.584 0.874 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836225649 HDFZSJZIBSAVET-KNQAVFIVSA-N 429.473 0.572 30 20 ICED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1836560017 SMSYWERJDLFELB-GUYCJALGSA-N 425.624 0.903 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441002 MBNBHIMGHWCRLN-PIUNUONSSA-N 432.525 0.445 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(F)(F)F 1837560177 RQOMEVAQOSWQCT-UWLGAILDSA-N 447.410 0.468 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n[nH]1 1837583231 IIQBLZAJUZTNQQ-QHCPKHFHSA-N 437.500 0.831 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838675373 CVHBGYPURLVWLL-UHFFFAOYSA-N 427.457 0.486 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058545 GTKCHTSXXSSWMN-QFIPXVFZSA-N 429.521 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839174501 GRHPBPXSVUKAGM-OAQYLSRUSA-N 434.493 0.157 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5ccc(F)cn45)CCO3)C2)CC1 1839591425 YNFFEEOOMTXBKU-OAQYLSRUSA-N 427.436 0.847 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34CCN(C(=O)OC(C)(C)C)C[C@H]3C4)C2)C1 1839810645 KHFSPZWGAKCPLI-NLSFWIRASA-N 447.532 0.723 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)c1ccc(O)cc1 1840220181 BMGTYVBCTNZPHF-FHJLPGHOSA-N 430.501 0.726 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840262839 KOTLUAYCCQHKFU-VGSWGCGISA-N 431.489 0.136 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436855 BWGJUYUYKDKTBK-GCJKJVERSA-N 449.552 0.837 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)cn1 1843216165 BNZKEILPQWKRJE-UHFFFAOYSA-N 427.486 0.957 30 20 ICED CCOC(=O)c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C#N)c1C 14596706 ILGAUOVKCFSBEG-UHFFFAOYSA-N 430.446 0.491 30 20 ICED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(=O)c(C#N)c1C 24173284 SBTADWACJGXDCK-UHFFFAOYSA-N 433.465 0.404 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](O)C23CCCC3)CC1 433032024 QCOXIBSJGKRPCC-IBGZPJMESA-N 432.546 0.771 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 434005846 JKSRZNQWFHXEJM-MRXNPFEDSA-N 440.547 0.519 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)s1 435423232 PORFJDACQVJZTL-UHFFFAOYSA-N 430.489 0.007 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 437053373 VSMASKXAEOULDT-SUMWQHHRSA-N 425.507 0.981 30 20 ICED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc2)CC1 438765391 SLQQRPQRMFKIDU-UHFFFAOYSA-N 442.564 0.983 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N(CCC#N)c1cccc(C)c1C 444611863 SCOOHDVCMLWYET-IBGZPJMESA-N 430.505 0.930 30 20 ICED N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CCCC1 445706845 ICZHNSHBAWYMBA-UHFFFAOYSA-N 432.490 0.851 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 460699272 GQUWMKVLYIWQBU-UHFFFAOYSA-N 448.487 1.335 30 20 ICED N#Cc1ccc(OCCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 465978739 BWXXNHZBQPQZPW-UHFFFAOYSA-N 437.522 0.278 30 20 ICED COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472857123 UIMUKUMYLRBIHA-UHFFFAOYSA-N 428.424 0.813 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C(=O)OC)[C@@H](C)O)nnc12 474605707 JSYCMJLGDIRUFI-IAQYHMDHSA-N 431.474 0.361 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 476210581 NDGXMISLKSEMDY-UHFFFAOYSA-N 440.569 0.498 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480794766 BNFVJQIIPNWDCU-CYBMUJFWSA-N 428.536 0.155 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 480810052 DKGZVSKMYMWAKH-ZDUSSCGKSA-N 428.474 0.195 30 20 ICED COCCN(C(=O)CCC(=O)N1CC(C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 482634215 RSTVIPJSYDAJKH-UHFFFAOYSA-N 434.497 0.319 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)c(OC)c1 497619238 JHTJFVBSRQLBCK-FQEVSTJZSA-N 433.549 0.640 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)n1 501598356 PEOMVJVTIPUFCG-KRWDZBQOSA-N 426.521 0.219 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccsc1 505701032 UEESGASBWJJFRY-CYBMUJFWSA-N 443.554 0.657 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 509807797 NQCCVOCOFORLEA-CQSZACIVSA-N 437.522 0.815 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)CC2)cc1 524023495 YDOYUOPRUAHLGE-KRWDZBQOSA-N 430.486 0.365 30 20 ICED CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527339005 HBOWTACRTGXQID-GFCCVEGCSA-N 427.465 0.867 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C1CC1 532362414 DKZJGJHBWJIWJW-UHFFFAOYSA-N 447.520 0.792 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 537153995 LELKYJGHVKSVNR-UHFFFAOYSA-N 432.506 0.589 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 537487778 ZLGXXTFXTSKMEU-UHFFFAOYSA-N 426.495 0.081 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 541082857 OVXHERFRTGFOPU-UHFFFAOYSA-N 427.482 0.263 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 541653407 NKFCWLOCEZKZDA-UHFFFAOYSA-N 442.563 0.670 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)n2)c(Cl)c1 543002196 RCTQDWQHOBCKJO-LBPRGKRZSA-N 437.865 0.266 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(=O)NC)C3)nnc12 543831581 PWPITMLIKRODGM-OAHLLOKOSA-N 442.501 0.296 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 555026204 KBJULBVUVBXKME-INIZCTEOSA-N 439.501 0.644 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 557160960 NZHYMUSEBTVZNI-OAHLLOKOSA-N 427.548 0.837 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)O)cc1 566611910 QMSRHEXTKKZOLV-OXQOHEQNSA-N 443.529 0.638 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 577664125 DQVMZJFCKGFAOU-ILXRZTDVSA-N 428.559 0.442 30 20 ICED COCCN(C(=O)CCC(=O)NC1(C#N)CCCC1)c1c(O)nc(=O)n(CC(C)C)c1N 585705332 QGCUFKYHNDIKIE-UHFFFAOYSA-N 448.524 0.899 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc2n(C)c1=O 603592396 STBAEARQQYVMIE-UHFFFAOYSA-N 435.444 0.332 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603795520 XVDHFEAGPQDUDD-UHFFFAOYSA-N 428.470 0.590 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 611365217 TZKJEZAKIPLKLR-UHFFFAOYSA-N 436.472 0.916 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 614258455 CBQKZGHYPHEFQB-KBPBESRZSA-N 430.494 0.647 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 730892188 INJOJWKUYUURSC-UHFFFAOYSA-N 430.442 0.770 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829898 LZXLWGMUMUPWOV-UHFFFAOYSA-N 448.888 0.923 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758779388 UWGHLLOQYFNRGS-HUUCEWRRSA-N 436.513 0.124 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 764747726 VFZWPGZMXRMODE-LLVKDONJSA-N 442.457 0.562 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1Cc1ccon1 767959087 OPVQOOUBSBZMCZ-UHFFFAOYSA-N 428.470 0.422 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 783546085 YZEPYRFQOIQDIW-ZDUSSCGKSA-N 448.519 0.326 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(N)nc(N(C)C)n1 791194808 PPGSKTNBXUNEFI-ZDUSSCGKSA-N 447.521 0.716 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cnn(CCOC)c2)C1=O 799863685 ZLEWSWQCDFMTKQ-MRXNPFEDSA-N 444.517 0.896 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4cc(F)cc(C)c4S3(=O)=O)CC2)o1 804917918 SGEPCMJBVYIFQQ-UHFFFAOYSA-N 447.448 0.796 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 813981751 WEPGQUDUUKHUMQ-UHFFFAOYSA-N 441.516 0.138 30 20 ICED Cn1cnn(CCC(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1=O 816087628 GSBYFAIQTLAUIR-UHFFFAOYSA-N 432.231 0.250 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(OCC(N)=O)c3)CC2)o1 915385785 JQRORNOVAWNLJQ-UHFFFAOYSA-N 427.417 0.224 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2cncn2)c1 918255380 KVAHMCKTHUNYAY-XQNSMLJCSA-N 433.494 0.236 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 918438324 HVYVITUJZSXXTK-UHFFFAOYSA-N 433.432 0.687 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1320612629 QNHOSYNBZUSTLC-JKSUJKDBSA-N 432.502 0.063 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1324394089 FFMOQQKSXNQKRH-KRWDZBQOSA-N 447.517 0.551 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539349555 PWMXVLXEUCDZBH-SWLSCSKDSA-N 439.877 0.363 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552889114 AZMXNQRYUYIQHD-SFHVURJKSA-N 444.565 0.332 30 20 ICED CN(C)CCN(CC(=O)N(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1617216157 MGMPXOIFNLBUMA-UHFFFAOYSA-N 449.577 0.437 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1618815266 HQUIUCRXABQSIU-KRWDZBQOSA-N 425.493 0.386 30 20 ICED CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1696712622 FLKZJJVXLPTMCY-HXUWFJFHSA-N 439.501 0.793 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)C1 1698311437 VDKWMPYKRRTHLW-IAGOWNOFSA-N 431.522 0.274 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1741987980 IGNXSVHKQXVOHG-GFCCVEGCSA-N 448.471 0.989 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)CCOC1 1767425170 NOXRQQIZOHVYBF-NRFANRHFSA-N 432.525 0.919 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777714737 RVJUKOPCNOFTCS-OAQYLSRUSA-N 426.477 0.948 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779063556 WLAAOBIYMZXAAZ-HXUWFJFHSA-N 431.449 0.460 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779099073 PIJRFWPZDIEOQH-ZXRHXNHJSA-N 440.566 0.394 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779138716 FORQJPWLZQZJFY-LWOHLBADSA-N 443.460 0.255 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779397183 ONENCZADCPYAFL-WIYYLYMNSA-N 429.521 0.491 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1780730132 POARSVWYDBAEJP-DKZVUGQWSA-N 428.489 0.585 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnn(C)c1)C2 1780739725 MIDYRYMQWHJJDP-XMSQKQJNSA-N 432.521 0.986 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1782058125 HBZABYJZUFANBE-NTKDMRAZSA-N 439.560 0.946 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782185493 UGLLAVDBQONFGV-PSTGCABASA-N 431.605 0.679 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(O)nn5)CCO4)C3)c2c1 1782195243 YHKJFOAFUJBXDK-OAQYLSRUSA-N 433.428 0.687 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)c1 1783910017 FBLOVYBXBFZJOS-ANULTFPQSA-N 438.528 0.997 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1784491515 IEUHDUNUULFVJW-ACRUOGEOSA-N 436.597 0.586 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1784504422 QAPWOPGOHKURIL-NADOGSGZSA-N 433.549 0.958 30 20 ICED Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1785834921 RITLZCCPWADVNK-CWFRUYSHSA-N 431.493 0.907 30 20 ICED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)CC1 1786727091 ZOCYJJQUYMKACL-JYEIPFOFSA-N 448.612 0.075 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccn5c(O)nnc45)[C@H]3C2)c1 1787385470 KUDHSMIHYBDIRX-QRTARXTBSA-N 435.444 0.542 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)ccc1F 1789907013 JLTCNXMEGGQUIE-IEZWGBDMSA-N 442.495 0.060 30 20 ICED COc1ccc(Cn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cn2)cc1 1793998038 JGJOZCSWCJIWPT-BBIADKPPSA-N 437.500 0.986 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818701 ZIXQJCTWPMOFGR-PCXNWGEFSA-N 447.536 0.698 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccccc1 1797876853 NFJAOGCXSAJYEW-AIYVTKCESA-N 440.544 0.366 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc[n+]([O-])cc3)c2c1 1798362826 SCWCKRNWPUQUSK-HGKCTWBKSA-N 432.440 0.585 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)c1 1798485344 MIBYDTRXXJIDMG-XAPVIXHLSA-N 426.517 0.780 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c1 1798573837 SHABTFZADFMODA-CWPLJXCYSA-N 438.440 0.483 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c(C#N)c1 1799238379 DHLDSBNNTZFSTK-VPTLXERWSA-N 437.456 0.096 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)N1C[C@H]2C[C@H]2C1 1799884283 QGNYMOPTRAXEAX-FMQYKSNSSA-N 448.527 0.978 30 20 ICED C[C@H](N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C1CC1)c1ccccc1 1800346537 DRVXFEGNPUZYMZ-KCUUWUSMSA-N 439.512 0.793 30 20 ICED COc1cccc2c1C[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)CC2 1800415516 JWDRNJRPPQYKKO-DBHNTLKXSA-N 426.469 0.478 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)ccc1F 1801714107 PBBBNXFPPPDUMA-KULPGCBOSA-N 431.464 0.896 30 20 ICED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)s1 1801992751 UKIBIBLNYKWNRK-VPTLXERWSA-N 441.513 0.929 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1802124769 HINNKKLXJPONAU-DFGXFYAUSA-N 443.504 0.596 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803542811 JSMYBPVAZDLXBV-IDHHARJASA-N 449.471 0.171 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804341980 NOTTZNADTVLYBA-KBEGMRNHSA-N 429.477 0.277 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)C1 1806027072 IJOGYTSXHXCNFI-LJQANCHMSA-N 434.581 0.973 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1807145626 OQJPFPDATBQKSF-LMMKCTJWSA-N 426.521 0.648 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808838229 YECAZEXYTHKRFT-VKZRIFJHSA-N 444.492 0.486 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1811889301 CUFIETUYUYCERU-GHTZIAJQSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2NC(=O)C3)[C@@H]1c1cccnc1 1812881212 WHFBTJWXBNRXCL-KSFYIVLOSA-N 432.436 0.984 30 20 ICED CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1817016249 DGGSGCHJVRBKFQ-KBBBTLNTSA-N 435.554 0.974 30 20 ICED CN[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1)C(=O)O 1819393437 XDAZDYSTYQLMFS-KJCXBIGCSA-N 433.513 0.936 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819844391 UPSNSDPSPVTYFI-KGLIPLIRSA-N 447.561 0.347 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819847993 CEICOMDOAAMBLW-KGLIPLIRSA-N 430.530 0.890 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819948936 GVSFVYBOCNCBHA-MFSHBQKOSA-N 444.473 0.319 30 20 ICED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(=N)N)CC3)ccc1F 1822961812 MKYPWSCDYKEODC-GFCCVEGCSA-N 429.481 0.792 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1829770481 TYLHTQHUWFLSEJ-RMUOZIPVSA-N 432.477 0.165 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1831399158 QFQMSQARPLNFFZ-VFNWGFHPSA-N 449.435 0.842 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1831403070 WFXOCIROINULAY-KGVIQGDOSA-N 431.489 0.344 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1831406830 HIXRZTPJMWPSDW-NFBKMPQASA-N 446.548 0.911 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1831426752 OSHQFYONBPSMRR-HJPURHCSSA-N 443.500 0.842 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1832460929 JWYZNXNMPOKGSK-CBNMVNINSA-N 438.546 0.705 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833430327 ZGZBHYJIVMIVDC-KKSFZXQISA-N 434.493 0.536 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(C)n1 1833447884 UBVODTCCIQYXGL-FQEVSTJZSA-N 428.449 0.012 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1 1833467395 TUBOOAOFHZUGRL-KRWDZBQOSA-N 438.532 0.953 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833488861 OBNXVVRIRADILI-GOSISDBHSA-N 439.582 0.064 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1834082058 JEYATXCVSJBDNQ-OAQYLSRUSA-N 430.509 0.137 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)COC(=O)C(F)(F)F)CC3)CC2)CC1 1834600884 DKKXEILVHVROJX-UHFFFAOYSA-N 430.427 0.967 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1834756332 UEBWUGYYZMCHDY-OAQYLSRUSA-N 428.445 0.355 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348125 ROCBXUSVTXNVLD-VFNWGFHPSA-N 436.509 0.660 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)c1ccc(O)cc1 1835534279 ZZWRWWONRBHHFS-WWEVIYMKSA-N 443.544 0.940 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1835767876 WRKBHLLSXQMBHJ-YRXLECQKSA-N 448.524 0.830 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836081583 NXSHYSFFXNWZKR-AUUYWEPGSA-N 439.538 0.646 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)N1CCN(C)CC1 1836373015 RRXDNSKSOHBWMW-LJQANCHMSA-N 444.624 0.888 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836784888 UKNRAJCJARGBPH-WAIKUNEKSA-N 441.484 0.290 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1836858904 CMNVZWITMRBDOO-DLBZAZTESA-N 436.553 0.731 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836880009 KDSHZMBMDJGCGQ-DOTOQJQBSA-N 440.566 0.538 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977871 PIKIAJLZIRAKHG-XXBNENTESA-N 446.548 0.863 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296777 KKNOALLNUPAYMQ-VHKYSDTDSA-N 435.502 0.496 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837372997 NGIMHPMZQCXNSG-KPZWWZAWSA-N 439.925 0.771 30 20 ICED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493658 PTVZNTXTRSVUNE-JPYJTQIMSA-N 434.533 0.757 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526018 BJPANVDKXNAFDM-DQPQLVGQSA-N 440.541 0.345 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531390 LJEXCVSGJKWMTF-VKIKPQBMSA-N 436.465 0.582 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1837532290 BEHKJXZYOFDQQH-LTSQEINCSA-N 425.482 0.008 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnn2)CCO3)ccc1F 1837876500 YTRPSVHRVORHKP-JOCHJYFZSA-N 439.447 0.800 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838095442 GAMUXTWABXOEOR-VNFKXGFSSA-N 447.492 0.384 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)c1 1838906764 DMYVLRYNUBBJMS-XUZZJYLKSA-N 449.511 0.593 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907176 CVRATWJTFQCHBR-ZHRRBRCNSA-N 443.504 0.336 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1839898032 AQOUVVFHJDWHHQ-OAQYLSRUSA-N 445.447 0.721 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920154 FTHQIJXCYIBIKT-WFASDCNBSA-N 427.712 0.851 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1840039748 GWOBSNNJCCWKEU-NRFANRHFSA-N 434.420 0.139 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840843052 QSIKKGCRVNZASA-QHCPKHFHSA-N 430.501 0.931 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622089 YVSTUDATRYNCSI-CQSZACIVSA-N 435.529 0.260 30 20 ICED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197385 BIZOHRYFDKUSCA-ZDUSSCGKSA-N 425.507 0.534 30 20 ICED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cccc(C#N)c1 58396635 RDAWDQUJVFRLJP-UHFFFAOYSA-N 425.533 0.549 30 20 ICED CCN(CC)CCOc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1OC 409545771 AISRPXYFSVWEHZ-QGZVFWFLSA-N 426.539 0.975 30 20 ICED CCN(C[C@H](CC(C)C)NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[C@@H](C)n1cnc(C#N)n1 409861561 UZLUSSBFZJGANB-OAGGEKHMSA-N 440.512 0.815 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCNS(=O)(=O)NC(C)C)cc1 429195499 BXLVMBLVGWIONR-UHFFFAOYSA-N 433.556 0.447 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCSC 443551109 QOSCQYYQMHETGP-UHFFFAOYSA-N 434.568 0.472 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N1CCCc2ccccc21 460601111 NBJPXJQJVMWBBQ-UHFFFAOYSA-N 443.467 1.482 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)CC1 462441764 PUKHKZRZGIYHLR-UHFFFAOYSA-N 447.970 0.010 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)nc2)C1=O 466505271 KQANLZNJFXIPGY-OALUTQOASA-N 439.516 0.799 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467282762 RYPRFJBXQLWWEG-UHFFFAOYSA-N 430.534 0.865 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(-c2ncccn2)n1 467573024 SWLFJXSSIHTHAV-AWEZNQCLSA-N 432.448 0.308 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OCC(=O)O 472352260 WGWBHISSJMHEMY-UHFFFAOYSA-N 433.490 0.883 30 20 ICED CC(C)N(CCCNC(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)S(C)(=O)=O 475757931 HXDRXQDUGUINHR-UHFFFAOYSA-N 430.552 0.501 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480956473 OUOKDTYKDPDSLP-UHFFFAOYSA-N 437.437 0.636 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccon1 480965492 ZMTUPTIFUBRMBG-UHFFFAOYSA-N 446.510 0.282 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 483002256 ZWZJOYVKSZMLOT-RTBURBONSA-N 436.582 0.367 30 20 ICED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 499680357 VDFMLRGRWFKNJO-KPZWWZAWSA-N 428.468 0.790 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 508118329 LZLZXUOFROICQF-KRWDZBQOSA-N 444.517 0.580 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 516014557 ZWERPCMCDCJHBS-UHFFFAOYSA-N 443.441 0.938 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 516898306 PPIRZTCAHALXSO-OAHLLOKOSA-N 429.520 0.125 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 525888831 PIBSKZYRMNHXGM-UHFFFAOYSA-N 448.483 0.451 30 20 ICED CN1CCCC12CCN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 542266298 VAXLLUATUUDBCB-UHFFFAOYSA-N 445.589 0.951 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1=O 552163608 IZJYDQSPUPVITP-RTBURBONSA-N 442.516 0.457 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC(F)F)cc1 556782014 PSJDGDJQDLIUEG-UHFFFAOYSA-N 445.451 0.791 30 20 ICED CCOC(=O)C=c1sc(=Cc2cccc(F)c2C#N)c(=O)n1CC(=O)N(CC)CC 564552416 PKHHKMOSVIDELH-UHFFFAOYSA-N 431.489 0.961 30 20 ICED CS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 566693608 OVGABZQSCLMALL-UHFFFAOYSA-N 433.465 1.105 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccnc3OCC(F)F)CC2)nc1 572205516 MUCSKYIOCXWZQP-UHFFFAOYSA-N 430.415 0.957 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 572766631 CNELEMLJSZIYHE-UHFFFAOYSA-N 443.537 0.967 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 588236462 YCSXIRHUUPRUDB-OAQYLSRUSA-N 440.592 0.733 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589160112 BFIAMQDUMIEUMP-UHFFFAOYSA-N 447.582 0.886 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1cccnc1 609038335 AMEUFUDBCUTUNW-UHFFFAOYSA-N 435.465 0.705 30 20 ICED COC(=O)[C@H](C)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609649471 FNUWYERKJMVQEN-CQSZACIVSA-N 425.532 0.933 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1S(N)(=O)=O 609943189 DSRSUXXFYZGZHM-UHFFFAOYSA-N 427.486 0.801 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 727408330 ZITZJSUGLJTEAS-AWEZNQCLSA-N 435.527 0.997 30 20 ICED O=C(CN1C(=O)COc2cc(Br)ccc21)NCCN/C(O)=C1\N=CC=CC1=O 731863490 XLPMJIIASOFYJQ-ISLYRVAYSA-N 449.261 0.817 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1N1CCCS1(=O)=O 741095810 SCTIDHYWDDNQHW-UHFFFAOYSA-N 442.501 0.968 30 20 ICED Cn1cc(N2CCC[C@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 741826900 VZOHGASNHKEMGP-HNNXBMFYSA-N 431.474 0.588 30 20 ICED CCOC(=O)CN1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742611072 KMWJEWBLOJSZCY-OAHLLOKOSA-N 436.534 0.601 30 20 ICED N#Cc1c(NC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)sc2c1CCCCC2 748426968 GBDRQVPPQWMDKJ-UHFFFAOYSA-N 437.503 0.914 30 20 ICED C[C@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)CCO1 748601626 LNFDKDCQOMBWEB-ZDUSSCGKSA-N 443.550 0.679 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 750310783 DSTRNRSQKWVTNR-HNNXBMFYSA-N 425.453 0.116 30 20 ICED COc1cc(OC)cc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 752182955 XLPUIKMKKIZUMF-GUYCJALGSA-N 449.485 0.023 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1 752612100 ANJIERBVNSCRIN-UHFFFAOYSA-N 446.573 0.723 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 757065053 FHSPFYUOZMBMER-NYHFZMIOSA-N 433.472 0.853 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cnc1Cl 760376243 WWPSBXFSBVTSNQ-UHFFFAOYSA-N 447.948 0.383 30 20 ICED CC(=NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 762599827 DCQWGFSIMVKOPO-UHFFFAOYSA-N 434.478 0.512 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc[nH]n1 772268476 UUYIXJJMWLSTNA-ZDUSSCGKSA-N 428.449 0.188 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3c(Br)cccc32)c(=O)n(C)c1=O 773207723 JGYMCJGTJYREEY-UHFFFAOYSA-N 427.280 0.475 30 20 ICED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775527433 XYDJUOSPLSCJDT-IGCAKMCNSA-N 426.495 0.935 30 20 ICED CCn1cc(-c2n[nH]cc2C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 778499675 GVDXTFPZVOLZEO-UHFFFAOYSA-N 438.448 0.967 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1I 778620626 PAWGGDFYWQLEJQ-VIFPVBQESA-N 436.227 0.991 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCCC3)C2=O)cc1 779318509 RKKWPCCGHZOGCB-LJQANCHMSA-N 448.501 0.992 30 20 ICED COCCNCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785174414 LAHPWMJFOJFLMY-HAVVHWLPSA-N 439.538 0.180 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C(C)C)c1=O 794582602 QHGNACQARZMGLF-HNNXBMFYSA-N 430.530 0.832 30 20 ICED C#CCNc1nc(N[C@@H]2CCc3nc(C)nn3C2)nc(N[C@@H]2CCc3nc(C)nn3C2)n1 804424821 OLAJXGYWEPXEFX-HUUCEWRRSA-N 434.512 0.570 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CCOC 806610302 OGQIRRYUASTZKQ-UHFFFAOYSA-N 443.525 0.687 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)c1 808955208 DPEWUGYOQWABNJ-MRXNPFEDSA-N 438.488 0.894 30 20 ICED COCCN1C(=O)c2ccc(C(=O)OCCOC3(C#N)CCOCC3)cc2S1(=O)=O 809079877 DIAZRAXTJNZYKP-UHFFFAOYSA-N 438.458 0.724 30 20 ICED Cn1c(S)nnc1C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 810395617 QQDCWHDMEGAVMK-UHFFFAOYSA-N 437.489 0.901 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250266 KLYCMNMYANCCGI-UHFFFAOYSA-N 441.529 0.762 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 857749866 FITGJTBHIRPPDF-SWLSCSKDSA-N 428.894 0.554 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(CC(N)=O)CC1 880209238 QZPLWVIILOBWBQ-INIZCTEOSA-N 435.550 0.350 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COCC(F)(F)F)CC1 915549014 AYAQYSAXLRHYKM-UHFFFAOYSA-N 449.407 0.513 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 918915784 LNVAQHMJUHRUGK-UHFFFAOYSA-N 436.490 0.397 30 20 ICED COC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccncc1 1251765453 VDENJLIARXGPLS-KRWDZBQOSA-N 430.486 0.954 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301953151 QSSDADKAHFMWJT-IAGOWNOFSA-N 432.573 0.955 30 20 ICED CCN1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1313875584 AOFFSWQTWHNRSO-RDJZCZTQSA-N 439.586 0.739 30 20 ICED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)C1 1313890062 XXVPMFOPROWDBC-YESZJQIVSA-N 439.586 0.549 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1548175605 LZKWRCOEDMSNDK-NVXWUHKLSA-N 437.570 0.273 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1562780624 INQISIOHCSMZQV-CQSZACIVSA-N 434.444 0.607 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589395366 UYAFSLBDXDRJRF-ZDUSSCGKSA-N 440.346 0.348 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1624820021 VRNOWSJZZCQIKQ-UKRRQHHQSA-N 433.511 0.912 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)CC1 1644185167 LBYUKUVWLFQUEP-UHFFFAOYSA-N 427.427 0.798 30 20 ICED COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1711976182 UBLBURWQSCADJP-WOJBJXKFSA-N 449.508 0.869 30 20 ICED CC1(C)COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1742007824 STXIIIMEJNQFIA-INIZCTEOSA-N 440.508 0.765 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1746682072 BHVCKEKIEHPDTA-IBGZPJMESA-N 440.570 1.000 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1761362904 JEUKPHBRSKEPMT-UKRRQHHQSA-N 429.568 0.743 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474393 KMJAKIMNOFJPKD-NRFANRHFSA-N 425.493 0.455 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365868 SORWFUGJJMEOFU-LITFDXQHSA-N 445.568 0.900 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381392 ZZVFCTBAXYCSRR-ZCTOSJTPSA-N 436.425 0.290 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccc(Cl)cc1)C2)[C@@H]1C[C@H](O)CN1 1780596447 PIXJUHUQWLQVCG-XFGYDDDFSA-N 445.947 0.928 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1 1780695887 MLZSJNHDTNYICB-NRFANRHFSA-N 433.428 0.047 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C1)CCC2 1782438358 INQDKVPXALLECY-RWTMDTCBSA-N 445.520 0.881 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1783766560 ZAPXJJPHHMXACA-QVKFZJNVSA-N 441.525 0.905 30 20 ICED C#CCO[C@@H](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 1784483365 SYQUHXCDKMTDPV-FPSMNIFISA-N 437.537 0.918 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1784590022 XRWMRPJMQZBURP-MGPUTAFESA-N 428.880 0.769 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784823871 SCABDSHHTKPJSK-JONQDZQNSA-N 435.477 0.064 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3CCOC)[C@H]2C1 1787626735 AWKBEFIUYWGXBH-LNLFQRSKSA-N 448.520 0.632 30 20 ICED Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c1 1788658770 XEYNRFNZFUEOIF-GTYUTKQKSA-N 433.509 0.700 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccncc1O 1788827229 KJKXLJDHKUSPRN-XLPSAFGNSA-N 432.477 0.910 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791260186 JWBZOXXSTJHGBM-QXKUPLGCSA-N 445.582 0.560 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)N(C)C)c(O)n1 1792625634 URDLNMHGESGYCM-CCWDJLKJSA-N 445.520 0.380 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)cc1 1796955115 DBFJXMYQBWMYBT-OPVJXMOQSA-N 445.483 0.832 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799247617 BIOKEQPUWIGLFG-BASYENTBSA-N 437.493 0.056 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1799394605 OZHNLQAPEYTTJV-NWYQELHNSA-N 446.504 0.843 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)nc2nccn12 1799988697 HFAUWFSSBLFITD-ALXJQNPVSA-N 439.520 0.523 30 20 ICED 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@@H]3CCO[C@H]13)C2 1800454820 GMNADIXSUUFFTI-NNRKOQHJSA-N 433.505 0.234 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1801764236 PEEISVRRCUBRCU-FDFFUELDSA-N 436.468 0.442 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802114865 GJISMWUTQIRCTN-ROPHOZQPSA-N 427.501 0.353 30 20 ICED 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[nH]nnc1C)C2 1802127482 PZLQVNLRCWGXHO-JYYAWHABSA-N 446.508 0.233 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807608950 UGZQRKYZHAPALG-FUHWJXTLSA-N 425.497 0.056 30 20 ICED N#CCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807737377 KSUSYPKXIWIACK-UGSOOPFHSA-N 428.474 0.466 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810347305 DNYJYFRMRBVAAN-DCXXXQMHSA-N 436.578 0.692 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810391563 GHMSLNGOWYCSCX-AJNKUGIQSA-N 440.504 0.392 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812389632 HTFPVKJRNLBTGD-KNQAVFIVSA-N 448.479 0.682 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1814052413 UMUJVFIIQVXNFY-CEXWTWQISA-N 427.505 0.932 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1814218521 NZHUNRWUJLHCRH-TXPKVOOTSA-N 443.504 0.489 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1821217119 HQHWFIQLCJSOTO-PXAZEXFGSA-N 435.437 0.333 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1823086122 XPPFDJPIMXZJDF-FHSNZYRGSA-N 439.538 0.507 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1ON=C(c3ccccc3)O1)CC2 1825666866 KVTVXVKHQUFHBO-BLVKFPJESA-N 440.437 0.878 30 20 ICED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1)C(=O)C(=O)O 1826896400 MFNPJRPCZXXAPB-KRWDZBQOSA-N 449.552 0.431 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCN2C(=O)OCc1ccccc1 1828595523 UUZFLDBXBVDMKR-HXOBKFHXSA-N 440.500 0.583 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cc2C1 1830061491 HRZDXRCWZQHLMP-JOCHJYFZSA-N 444.536 0.338 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1830461702 XLXREJMRONWZCC-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCC(C)CC1)CCO2 1831092607 GDQBGRBABBVQGK-VMXOYPLMSA-N 448.564 0.033 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1OCCc3ccccc31)CCO2 1831249221 GDMRNAASFJXHGN-AUSIDOKSSA-N 442.468 0.235 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831392987 SECNYPYKBSWRTJ-JTSKRJEESA-N 426.473 0.443 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1832294229 WYSPQQYWDPVVTF-UZLBHIALSA-N 426.514 0.112 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832491103 GIOLHZMASWRRRZ-NZQKXSOJSA-N 426.469 0.696 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832723749 CJHNYYGCAHWPTR-NRFANRHFSA-N 448.545 0.187 30 20 ICED NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833238781 ZRNGXKYHZDRZNB-FQEVSTJZSA-N 431.968 0.549 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390340 UZHWAFOXALZVDE-IIBYNOLFSA-N 449.508 0.258 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833551730 ZEQNODIMFQKBQC-LLHWWHOWSA-N 438.868 0.256 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n[nH]1 1833825044 ZQFWLGXUXGBGNH-QRWLVFNGSA-N 435.481 0.483 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833900826 CJRIHCIROWCMTG-FOIQADDNSA-N 437.497 0.612 30 20 ICED O=C(Cn1ccnc1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834265752 LJDYEFLKOQVEGN-LFVJCYFKSA-N 429.569 0.926 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835271172 DUKOQBFMAKFTEJ-QFIPXVFZSA-N 431.489 0.554 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835335679 NYGMSAZNXAEOOL-UIPCJRQQSA-N 437.415 0.924 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1C(=O)O 1835340966 KYKRODYHACIFGT-OAQYLSRUSA-N 445.476 0.536 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835775496 SLYJBZKTMRZFJU-PKZHUULTSA-N 427.501 0.777 30 20 ICED COc1cc(OC)cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1836277964 USJOWXGOOPVROY-UHFFFAOYSA-N 443.500 0.977 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836451136 PVHZUMJLGOJVTC-VFNWGFHPSA-N 429.477 0.619 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)O1 1836605599 GRHRZVZQRXVZSQ-PWHSHALESA-N 434.533 0.709 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147083 JQQNJBILIXKEBO-JOCHJYFZSA-N 426.473 0.550 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837311436 FFAJXSZHYPUFKD-VGOFRKELSA-N 446.504 0.786 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837402379 GXFSGJINGFXOHM-FDDCHVKYSA-N 445.516 0.429 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524680 FLFNUBXTHWACIN-WVMHDHGMSA-N 437.493 0.010 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)C1 1838414740 KUBZXEIKNVJRAU-NRFANRHFSA-N 444.513 0.792 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)cc2NC1=O 1838588045 LKGPLYLDLVVKDR-OYHNWAKOSA-N 442.472 0.780 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)ccn1 1838720838 BRFNOFPWJAMROT-OAQYLSRUSA-N 430.461 0.632 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 1838896476 IYQOJIDDSPWXHC-LJQANCHMSA-N 440.374 0.863 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838972889 YVKSYBUVIMNDKK-ZHRRBRCNSA-N 432.473 0.509 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1839174336 UPTXBWTWBWKWNG-HSZRJFAPSA-N 444.484 0.835 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1839421944 URDZDFXEWMNARA-HXUWFJFHSA-N 428.424 0.059 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448402 GZOWLKVKFBNAHQ-JOCHJYFZSA-N 448.472 0.677 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C)c1C(=O)O 1839481446 JHZYIGYPMHTOBX-JOCHJYFZSA-N 444.440 0.160 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559725 YLQFPBHRTXBNDW-VGSWGCGISA-N 428.489 0.995 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840166577 QSNVRQPYIZYVHJ-QFIPXVFZSA-N 428.489 0.071 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361331 WCUNYJYCMOTODG-DRSNIGMVSA-N 430.505 0.009 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)C1 1840725543 YECVCFKEFOFZRJ-HXOBKFHXSA-N 443.500 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)c3F)CCO2)C1 1840791986 OQHKULMYCCKDST-OPAMFIHVSA-N 434.464 0.943 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)cc1C#N 1846879657 AXYDONXPWXJWOZ-NRFANRHFSA-N 442.516 0.813 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1847068369 ARNWWMUELHVWGN-OAHLLOKOSA-N 434.493 0.559 30 20 ICED CCN(CC)C(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24214335 BSKGFSOFJWFCPK-UHFFFAOYSA-N 435.550 0.191 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 31937098 XPULQMZWOJPPEY-LJQANCHMSA-N 438.575 0.816 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 410388737 RQMHMBYDHRKDFB-RRFJBIMHSA-N 430.527 0.012 30 20 ICED Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441971115 KVDPJIYPFXFAMR-KRWDZBQOSA-N 434.460 1.077 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 477080271 BSYLWKQGKYNRMR-UHFFFAOYSA-N 438.510 0.645 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 478862950 XUJIERJWJPPTNQ-GJZGRUSLSA-N 439.493 0.910 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 479666614 XCQPIONTQIZFPY-UHFFFAOYSA-N 449.510 0.992 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488612598 VFAXQYFMJBMROK-IBGZPJMESA-N 444.455 0.698 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C 501174364 NMKAMSDXVFSKQO-UHFFFAOYSA-N 431.514 0.128 30 20 ICED COC(=O)C1(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCS(=O)(=O)CC1 501454296 OVFWVVGDTXLHLK-UHFFFAOYSA-N 440.421 0.976 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 505977351 SDYDNJHXNIRDRX-INIZCTEOSA-N 439.520 0.625 30 20 ICED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 517277190 AJKUXFOOQJAINW-UHFFFAOYSA-N 432.458 0.963 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(F)c(F)cc3F)c2=O)cn1 532620057 JRMYZEDFPYQCHG-UHFFFAOYSA-N 433.415 0.782 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1Cc1ccon1 538841531 HTXGJNYTKDFYCX-UHFFFAOYSA-N 441.425 0.112 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539181555 NGOPYOHCBCTGSA-MRXNPFEDSA-N 443.552 0.993 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3N3CCOCC3)CC2)nc1 569699542 PBIGUNKWNLSPIL-UHFFFAOYSA-N 434.500 0.755 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 581570228 NAXGUQGCHAQQMO-LJQANCHMSA-N 437.500 0.389 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588823387 VBUYGPQDALYDFJ-RBUKOAKNSA-N 449.515 0.294 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)CS(C)(=O)=O 588869893 VFJTWAATVHERSL-RHSMWYFYSA-N 434.518 0.057 30 20 ICED CO[C@H](CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 588870293 GLZCLWNDZRQXJC-LSDHHAIUSA-N 426.395 0.859 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 604043125 OQYIJIVUKMODPY-HNNXBMFYSA-N 448.588 0.835 30 20 ICED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611596666 RHSYBYZBRNVSPH-UHFFFAOYSA-N 442.451 0.823 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 612201698 OEGNTHBEIONHAC-UHFFFAOYSA-N 428.474 0.149 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 725763966 CGZKURIGCSRDEM-CRAIPNDOSA-N 443.573 0.878 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(Cl)c2Cl)c1=O 727163440 ZPZKPKPGEOWMOW-UHFFFAOYSA-N 443.337 0.792 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 728530898 YEYUWLZFNZYHJS-UHFFFAOYSA-N 440.544 0.588 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 729503525 VIQNIZOWWOOHKS-UKRRQHHQSA-N 444.531 0.342 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 747573139 UWUBCYIEECSRMY-IYBDPMFKSA-N 430.509 0.512 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 747850005 JRCSVBUPHVWLAV-UHFFFAOYSA-N 441.575 0.867 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 747993392 JOIVPVHPQBCKFB-UHFFFAOYSA-N 434.518 0.172 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(SC)cc2)c1=O 758039122 AIASUNNFINDFFJ-UHFFFAOYSA-N 427.551 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 758077969 WCNIFVIRFQGJLX-UHFFFAOYSA-N 445.447 0.506 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(Cc3ccon3)c2=O)cn1 765145411 INOFPDUIGIGJLB-UHFFFAOYSA-N 433.453 0.216 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767638468 SFUDGSQRLLIGSQ-CYBMUJFWSA-N 445.453 0.733 30 20 ICED C#CCNC(=O)C1CCN(Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 769024345 DCDKWGNGMQRCMW-UHFFFAOYSA-N 429.517 0.894 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 775792656 HXVCJXATKYUOMX-DLBZAZTESA-N 427.473 0.568 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 776594760 SFGXASLZPXPXTP-UHFFFAOYSA-N 449.533 0.069 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 783480827 VFBPINVDUNMPAC-INIZCTEOSA-N 431.514 0.900 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C1CC1 784918756 VHFNCKJMOYCAIA-OAHLLOKOSA-N 447.513 0.823 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 785007066 OUMOHCKYGOPHSD-UHFFFAOYSA-N 439.476 0.961 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 787003367 WUFLJPPFICFFFD-VQTJNVASSA-N 440.500 0.920 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(N2CCOC2=O)c1 789568178 WNKXFXSKYXDBOK-UHFFFAOYSA-N 425.449 0.528 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327083 DHKPCQCLOSVDNO-INIZCTEOSA-N 437.474 0.324 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 803750698 NWYYDXVGEWTNNZ-UHFFFAOYSA-N 429.565 0.700 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 807402545 IJZSOMHREVJVKQ-UHFFFAOYSA-N 428.474 0.341 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 899577282 DOARFUDICWVNND-JTQLQIEISA-N 448.295 0.671 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 916703404 LYJUTAVNSOLGNO-UHFFFAOYSA-N 444.513 0.615 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 917038934 WQNONBXLAFCVIB-MRXNPFEDSA-N 447.469 0.948 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 918476639 VPYIKUGBKMQGBI-UHFFFAOYSA-N 433.516 0.992 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319396378 PSIOFBQSCRHGFG-CVEARBPZSA-N 433.490 0.303 30 20 ICED C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359147512 IZXTVIPJQDSXBM-UHFFFAOYSA-N 443.899 0.559 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCSC2)C1 1505140217 UXJXVJBBQKRKBP-ZNMIVQPWSA-N 442.567 0.093 30 20 ICED CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1515945205 QSVOUOXFSKGPPT-QZTJIDSGSA-N 437.614 0.946 30 20 ICED CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554602236 MGUQVAXLNLHJMO-DOTOQJQBSA-N 445.549 0.808 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CNc2ncccc2C#N)c1 1625650279 BVPGEURHTYKMCE-SFHVURJKSA-N 441.513 0.941 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nc[nH]n2)CC1 1627899800 WEIKAORGZJYCMU-OAHLLOKOSA-N 431.522 0.751 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696095430 XYSVNQZSSYAULS-AVRDEDQJSA-N 445.568 0.975 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723110391 ZTVSHQHTFXRFKO-XAUMDUMWSA-N 436.582 0.764 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cn2ccccc2n1 1723958225 PRFAXODGNUZVAN-GDBMZVCRSA-N 444.521 0.507 30 20 ICED CC1(C)CN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCO1 1724032587 PFBUTMCUGRINSO-MRXNPFEDSA-N 440.508 0.765 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1764565611 QFCYZRGZIPWKAA-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1764697914 YUNWLTKQNDEZOM-SFHVURJKSA-N 439.520 0.728 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1767439373 MNAVDPTVAUWVIO-UXHICEINSA-N 436.488 0.621 30 20 ICED Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1777742804 DVORAZFRMAQXFW-SZPXKYLOSA-N 434.497 0.770 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1778262302 YEHPCYCVTHDXMC-QHCPKHFHSA-N 441.532 0.258 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779101047 GVNZJDYQOQCICN-JCFVMIBISA-N 442.476 0.930 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1780176032 WAITXLKDSPKLEG-NRFANRHFSA-N 439.476 0.343 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780356487 XDHUCFHMJIIQCC-OAQYLSRUSA-N 431.541 0.758 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1781396273 QAPFOYOIUASOPU-QEEYODRMSA-N 442.513 0.460 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782667757 FMGXAZLNBCICCI-TXBYWVTISA-N 444.532 0.603 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1782851328 YPBZXNDHYPTBKH-AVRDEDQJSA-N 443.504 0.707 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783440364 DRYQCSIDOVDYFQ-UFYCRDLUSA-N 447.557 0.905 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783606391 SMXBOXBPVVCSOA-FHWLQOOXSA-N 433.530 0.515 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4ccccc4[C@@H]3O)[C@H]2C1 1784152148 PEDHFZXXUZQRES-XGOKJXSNSA-N 426.469 0.350 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785216972 UUXGROPTAJOTKX-QSPRXWTASA-N 435.481 0.344 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cccc1=O 1785870435 PVLZVLKJLNZNKT-RSGOWTOPSA-N 446.504 0.508 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939084 JAJKVXDSTRKYJQ-VGWMRTNUSA-N 429.481 0.519 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788489761 KNXAEKPIENDWEL-HSYQKKROSA-N 438.590 0.823 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCNC5=O)C[C@@H]32)c1 1789507815 PFMIWDHOVOJMOY-ZWOKBUDYSA-N 448.483 0.405 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511526 VQVCCQTUYHZPDJ-VDNWNZSNSA-N 429.473 0.767 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)n1cncn1 1790330190 ALVKWTBXYIKSHN-CJCBUOBESA-N 448.487 0.881 30 20 ICED COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1792717976 SMIOCHCRFAZIGF-XGYUAAHDSA-N 444.532 0.790 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792778641 DUZPXCGKXGSLKT-WGLCMCTQSA-N 428.489 0.059 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2 1793342754 OTQYDVZURZDQQY-OYNZLANYSA-N 437.537 0.918 30 20 ICED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)ccn1 1795598146 ICXHHGASZXTBLV-IZZQQSIFSA-N 442.520 0.525 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H](NC)C(=O)O)c(O)n1 1795639887 SCQSBNQKNRZNSQ-QOIYZWAUSA-N 446.504 0.172 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444218 FUBMEECOKJNHFW-WCWWHDIWSA-N 433.530 0.991 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818587 SXLZJDYMOGCGCK-XBNYFLSISA-N 446.504 0.968 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626788 BHUOHDPRYSXYMA-ZSBFGKGUSA-N 427.413 0.940 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1799304870 DMOCMZSGIFMSFH-IIZPIQPGSA-N 441.528 0.800 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1800991634 CTJCIGJUKXVUSM-OPMZPASUSA-N 426.517 0.925 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)ccc1F 1801069540 LMBHAAHIYFRLJX-WGVRVLLMSA-N 428.464 0.356 30 20 ICED CCC[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 1802130877 NQXMQTPOHKPQIX-BASYENTBSA-N 437.493 0.357 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804196824 QMVHIUZKGMHIQR-UGKGYDQZSA-N 446.573 0.621 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1806854970 NVYUWJSLFJMKQG-WMZOPIPTSA-N 436.472 0.662 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1810975241 ALZNJHIDUFFXIK-VUTNTTQYSA-N 425.445 0.953 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)CN1 1812639304 IWPBEAYRMRDGBW-NYHLHCKRSA-N 443.504 0.753 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1CC1)CC2 1819851836 OGLRYERSGBMZJV-GOEBONIOSA-N 433.486 0.963 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827212011 RHSPDQUPQCXAIK-LBPRGKRZSA-N 443.547 0.999 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829768484 AEWGAGYJSOLKTI-FUMRIQNTSA-N 438.484 0.487 30 20 ICED COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829942717 GVXNSLKJMXNWBN-JOCHJYFZSA-N 431.489 0.818 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)n1 1830058243 RTDUWDINQGFFCO-QFIPXVFZSA-N 445.520 0.293 30 20 ICED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830525501 APOXADPFGFGKNK-DYESRHJHSA-N 427.461 0.275 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1831393600 YRCNYTRXPUIDFT-LLBVYWAGSA-N 428.485 0.485 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831419631 PJMIIIHOZNLVLC-JTSKRJEESA-N 433.505 0.680 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831425354 CPSKZJGIULZCFE-VGOFRKELSA-N 432.521 0.881 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831452412 QLGPTMBDNJOXCT-UWJYYQICSA-N 442.578 0.892 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)[nH]1 1831861614 SAJAYMCECRKLMB-QFIPXVFZSA-N 449.471 0.850 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833630175 YGWOFZOQJRSHHK-QVKFZJNVSA-N 437.468 0.890 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1)CCO2 1833999100 JYULBEWMHXDXHW-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3)CC2)CC1 1834714611 ACEKQOHOLLCZMX-UHFFFAOYSA-N 427.553 0.944 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1834755997 HLCWBEAABNBCGQ-QGZVFWFLSA-N 441.257 0.967 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834761350 ZARVOYFNXGSFPU-HRAATJIYSA-N 436.509 0.613 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508366 XXRIAZRVSJNHLN-INIZCTEOSA-N 429.380 0.599 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837244874 YYJDIHPRYWDMNX-WKRVVKTRSA-N 447.557 0.981 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837374800 KGVBDKBOFSMNCL-DYESRHJHSA-N 440.541 0.133 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1837380307 JGTZLAIBRIMFFF-JBYIUTFZSA-N 436.553 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837395059 OOTISXOIQBNODK-YWZLYKJASA-N 438.912 0.773 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837399079 NCLJDZREUINKLL-PYEQPNSUSA-N 436.553 0.488 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1837431297 GQTXEKSCELNEKS-AVRDEDQJSA-N 449.624 0.630 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524616 CPDIWAGYWLKMGX-KPSNGJBRSA-N 446.504 0.989 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837559751 GHDRPDYZALDCTQ-NWBNNPRYSA-N 442.472 0.629 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837564558 XPUYGYAKWODCBM-LWOHLBADSA-N 431.445 0.554 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968951 KLWAZYFSAWUIMZ-ZJHLSYPMSA-N 431.445 0.554 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838310255 BBCNHGKOQMDCIF-AUUYWEPGSA-N 441.916 0.944 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1 1838351647 FVCQKLYSHMTANO-UHFFFAOYSA-N 425.445 0.430 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1Cl 1838738132 SEYFCXCOCGUPAU-IBGZPJMESA-N 432.868 0.657 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839224543 MENJMJNSOCYMGX-BEFAXECRSA-N 441.916 0.794 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237178 SGOZJSUGLACDPO-OAQYLSRUSA-N 447.612 0.786 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccc(Br)c3n1)CCO2 1839559224 VFAPEVZPRPGBKC-IBGZPJMESA-N 447.289 0.800 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663769 NORHBCSTMVQGAZ-JOCHJYFZSA-N 432.521 0.692 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cc3Cl)C2)C1 1840039873 BYGOIZRXVKHXAZ-GOSISDBHSA-N 442.255 0.546 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1840042179 FYMQMSLDOUJPFC-GOSISDBHSA-N 441.362 0.258 30 20 ICED Cc1cccc(C)c1SCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042531 ZPCQBEASZQAPCV-JOCHJYFZSA-N 446.525 0.940 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840172011 LNGVETVCWGIDMG-SZNDQCEHSA-N 432.477 0.025 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434722 KXZGFGBPLHBXCB-GCJKJVERSA-N 434.537 0.627 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818605 LOICSWLZFGOFOB-FDDCHVKYSA-N 443.500 0.985 30 20 ICED N#CCC(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1842622508 VGDDVTATRVKDPJ-UHFFFAOYSA-N 440.485 0.395 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847801449 UVMVQRMCEQBQOY-WDSOQIARSA-N 439.516 0.262 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1847804254 FEZBWBGPQQBHJR-LTIDMASMSA-N 437.537 0.891 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 29464117 TUULJRSRCOUMFG-UHFFFAOYSA-N 432.433 0.208 30 20 ICED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 58910569 QKXCFPCBXDRYIX-UHFFFAOYSA-N 436.534 0.916 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)C[C@@H]2COc3ccccc3O2)c1=O 61355536 OFPXAFSEZKDMSI-MRXNPFEDSA-N 442.472 0.232 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cncc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)c2)C1=O 410142070 OIDNSSDUPNTBPZ-KDURUIRLSA-N 439.516 0.799 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC2(C(N)=O)CCCCC2)CC1 428808672 OGEQAXYFSHUMKU-UHFFFAOYSA-N 433.534 0.169 30 20 ICED C=CCNC(=O)Cc1noc(-c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)n1 445330118 FRIGUOGOJWNFGS-UHFFFAOYSA-N 433.490 0.434 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 446950481 OUTSKLLBPPTLAT-ZDUSSCGKSA-N 436.515 0.497 30 20 ICED CCOC1CC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)(N2CCOCC2)C1 447423957 UIKYWMUXMBGLMG-UHFFFAOYSA-N 432.525 0.834 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 465402965 LPYOTDDMUUUMAK-UHFFFAOYSA-N 438.525 0.937 30 20 ICED N#Cc1ccc(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)nc1 468705440 CHGKOYJBARSNOY-UHFFFAOYSA-N 426.502 0.545 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 472397910 PIHOCKJOJDNUKP-UHFFFAOYSA-N 426.473 0.561 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1OC 472872923 VQTUXRFTEXITKO-UHFFFAOYSA-N 442.476 0.913 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477280703 UMGMENVEGXOIAY-UHFFFAOYSA-N 446.460 0.729 30 20 ICED COc1cc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 482852362 DPXSLWCNVLVKMN-CYBMUJFWSA-N 446.485 0.997 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 489032770 BBWDCATWRBDFMB-RDJZCZTQSA-N 425.510 0.983 30 20 ICED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489276130 GTSGDMLVRJOEAW-GUYCJALGSA-N 445.501 0.747 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC 494737460 RRRQWGNUKDCJQB-INIZCTEOSA-N 425.555 0.965 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 502947572 VSSGDPKNOICPFI-UHFFFAOYSA-N 444.513 0.944 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 504755245 HJGKVFVARLYNRB-CQSZACIVSA-N 440.909 0.803 30 20 ICED C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCS(=O)(=O)CC1 510826015 MMEIWFBPYODDOF-AWEZNQCLSA-N 436.509 0.675 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 522717980 GNIUKVBMKGAARJ-UHFFFAOYSA-N 442.497 0.909 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc2O1 527089135 RVIBZXCFEUKIAR-MRXNPFEDSA-N 426.433 0.222 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 527145139 BLCFDJXOGLSYTE-KRWDZBQOSA-N 437.456 0.224 30 20 ICED CN(C)C1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 534717016 LRWDENDVBQYCHV-UHFFFAOYSA-N 448.593 0.600 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 546780109 FQVKDPVLAJRLLJ-KRWDZBQOSA-N 427.548 0.879 30 20 ICED CN(CCC#N)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 547877046 JHNYHVLVSUQTSK-ZDUSSCGKSA-N 430.508 0.674 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 559347812 REYDYBPXDLTTFZ-UHFFFAOYSA-N 427.549 0.214 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 561413970 VGTZXBMBGVLYMV-INIZCTEOSA-N 429.481 0.137 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 569655015 MNLQZQSKFWJNGI-UHFFFAOYSA-N 446.489 0.538 30 20 ICED CN(CCOc1ccc(Br)cc1)C(=O)CN(CC#N)S(=O)(=O)N(C)C 570321567 LYOYOYCTEOXJBH-UHFFFAOYSA-N 433.328 0.918 30 20 ICED CN(C)C1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 575209767 HTGZXSBCSUOMDF-UHFFFAOYSA-N 443.939 1.478 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 577667826 JMSBDBUSFKXDNM-HNNXBMFYSA-N 436.476 0.874 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 580117458 GXHIKJRUCJLBRB-SFHVURJKSA-N 449.467 0.353 30 20 ICED N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 603918464 RBQQDSYDRTVSJI-UHFFFAOYSA-N 434.499 0.875 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N(CCC#N)CCN3CCOCC3)ccc21 609822086 PHZDLRNTTXISKE-UHFFFAOYSA-N 427.505 0.400 30 20 ICED CCn1c(O)nnc1C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 611212258 INWGFNICPIRXAX-ZDUSSCGKSA-N 432.506 0.948 30 20 ICED C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 670739660 RIFBUVNVBLFLGL-UHFFFAOYSA-N 439.534 0.126 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1=O 726043200 REKPKBWDCFAFJQ-OAHLLOKOSA-N 428.445 0.149 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 728573274 MYJHAQCSATUFQL-UHFFFAOYSA-N 444.491 0.768 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1 733149562 KMXXTRLAMOVNQO-LJQANCHMSA-N 430.574 0.822 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 741236197 DRHORLUYKYEIJO-UHFFFAOYSA-N 439.519 0.385 30 20 ICED N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 742396343 RDLNVDPDLUTLAL-UHFFFAOYSA-N 446.514 0.593 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 742607358 MQHOXDGGKFWMAN-UHFFFAOYSA-N 428.511 0.175 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 745355647 DNTGISKMTJOYSH-ZFWWWQNUSA-N 439.538 0.978 30 20 ICED C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 746045758 JQMGCGMKNNQVBY-CVIUTVQRSA-N 435.550 0.896 30 20 ICED C#CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CCCC)n(CCCC)c2=O)CC1 749876942 SLIWYYMFZDWWOO-UHFFFAOYSA-N 428.537 0.737 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)c1 756763593 CLTPKHGFUDXXGH-MRXNPFEDSA-N 432.498 0.893 30 20 ICED COc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1S(N)(=O)=O 756890928 LKUGJSQHCTWLGX-ZJUUUORDSA-N 430.508 0.893 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnc(C3CCC3)s2)c1=O 758075594 JDNDFFNCOZKRHU-CYBMUJFWSA-N 442.566 0.921 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 758643868 XJOWRJXZWSTTMZ-IINYFYTJSA-N 435.462 0.254 30 20 ICED C[C@H](CC(=O)N1CCN(c2ncc(F)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 759413244 IHDKDDUDFHWWRS-CYBMUJFWSA-N 432.481 0.782 30 20 ICED C[C@@H](CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 759465901 RGENNDZTXQWXIV-ZDUSSCGKSA-N 442.563 0.386 30 20 ICED C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)[C@H]1CCCO1 775469780 GVHRYTPXPYYRMI-HYVNUMGLSA-N 441.531 0.454 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CC(C(N)=O)=NO1 788609340 UIMZGYZIEKWHIM-SNVBAGLBSA-N 425.239 0.845 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 789492601 STIANIMEUYZRDO-CQSZACIVSA-N 438.400 0.123 30 20 ICED C=CCN1CC[C@@H](N(C)Cn2c(=O)n(CC)c3ccc(S(=O)(=O)N(C)C)cc32)C1=O 799143815 QGALAWBYLZPFEV-QGZVFWFLSA-N 435.550 0.749 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 807401659 SYZSTRALVQGZFJ-UHFFFAOYSA-N 428.493 0.586 30 20 ICED NS(=O)(=O)c1ccccc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 807860254 MHRPQXJZFDJBRF-UHFFFAOYSA-N 436.515 0.469 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)NC2(CCCCC2)C1=O 899395188 RICFHTTYTFKUDH-UHFFFAOYSA-N 447.517 0.486 30 20 ICED NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)c([N+](=O)[O-])c1 915935265 BMPQBXPSMIRCLF-UHFFFAOYSA-N 446.445 0.847 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCNc2ncccc2C#N)CC1 918575444 LUIGNCLPNXTDBO-UHFFFAOYSA-N 431.522 0.922 30 20 ICED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)[C@H]1CCS(=O)(=O)C1 919988631 AEFIADKXRJSFKM-AWEZNQCLSA-N 442.515 0.293 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCN(C)CC1 920398024 BAKLBPKPNNYEIY-UHFFFAOYSA-N 428.562 0.329 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 920686373 NMXPKBWLFXJPOZ-OAHLLOKOSA-N 432.502 0.750 30 20 ICED Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1135931546 SPELBMDGASUROT-UHFFFAOYSA-N 444.517 0.573 30 20 ICED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)c(CCO)c2=O)n1 1296161704 OZNOXBCTSWASKT-UHFFFAOYSA-N 434.456 0.882 30 20 ICED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 1296954682 ZZEPYDWJKWPDGB-TZGCNFNXSA-N 440.570 0.948 30 20 ICED CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298914569 DCIPBUWIQNCQEZ-MRXNPFEDSA-N 428.541 0.463 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 1317878929 RCBLWFDKLFMCAC-UHFFFAOYSA-N 441.512 0.759 30 20 ICED CN(C)C1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319365320 QDFLBLCYZJBEOB-IBGZPJMESA-N 426.521 0.905 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCCS(=O)(=O)C2)cn1 1327080262 HAGWBECCMSRJID-TZMCWYRMSA-N 427.552 0.795 30 20 ICED CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1613804402 LYNMIOYUBWGLDA-UHFFFAOYSA-N 443.548 0.658 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(c1nccn1C)c1nccn1C 1629669285 JKNJRYCJWOTCBC-CYBMUJFWSA-N 427.490 0.598 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692666983 YYKLQOIKQGAPSZ-ILXRZTDVSA-N 444.583 0.200 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1695960903 VQGKGABIMXTVTL-XLIONFOSSA-N 446.533 0.486 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCOC2)C1 1712707431 WDEQJMTWYFEGAV-SJORKVTESA-N 438.554 0.778 30 20 ICED Cn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)cn1 1769015977 OHCPPANEEHIEMC-MRXNPFEDSA-N 448.553 0.523 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc(C(F)(F)F)c1 1778941797 SVSOPUSAURLVCO-LJQANCHMSA-N 449.389 0.896 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1778973621 MLLHCPIYAOXSKP-GCJKJVERSA-N 442.553 0.459 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779241412 MYVPNOSZKZHPGI-BXTJHSDWSA-N 435.529 0.634 30 20 ICED O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)=NN1 1779309444 SINYTNMXXONJNU-DYESRHJHSA-N 430.505 0.075 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)c1Cl 1780188353 TYZBPJOHKSZHPJ-JLTOFOAXSA-N 445.863 0.253 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c(C#N)c1 1781176278 ZBXUTYAXOYJEQG-KSFYIVLOSA-N 438.488 0.792 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1781693298 DTCZSWUXLVWEDQ-OPAMFIHVSA-N 434.456 0.332 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1781696524 GQPZOKICQHWBKM-HVETUWLQSA-N 435.521 0.505 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782187818 OYMQVXLEDWHXIT-AEVYOOLXSA-N 437.566 0.289 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)CCO2 1783046351 GLVBWIPAWAKROY-QFIPXVFZSA-N 435.521 0.771 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)c1 1783261608 FQZMHZLBYGUWGI-FDDCHVKYSA-N 444.532 0.044 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(Cl)c3)C[C@@H]21 1783530399 XIBVMCCIJIRIGX-OECAHVLASA-N 448.907 0.892 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1783892514 AAVMMQVVMAYGQN-VFNWGFHPSA-N 445.545 0.641 30 20 ICED O=C(O)CSCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783958668 OAPJYWCGIGBPCB-RZKWFVMWSA-N 429.495 0.163 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cc1 1784122258 JBENSNYBYAZQSC-CAMMJAKZSA-N 448.545 0.555 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCc3[nH]cnc3C)C[C@@H]21 1784486169 YIDJVTUDHCLHJX-DFEOGRTESA-N 434.562 0.969 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1785014853 XSOWGJGWVBMXGB-ULQDDVLXSA-N 445.607 0.311 30 20 ICED O=C(Cc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785423269 YCKMXIIZKSBFDP-ALNZPZHCSA-N 431.493 0.528 30 20 ICED O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787437065 GDLXLOHJOCQMQR-UOIIZVASSA-N 430.452 0.548 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787657320 SKONOOKADNZUCJ-OVWQWFNUSA-N 434.562 0.830 30 20 ICED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)cc1C#N 1792058459 RDRXKKJNBGXUDO-CUWPLCDZSA-N 445.516 0.948 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424704 OTQMUYXPEGGBCU-DMUMMCEESA-N 427.505 0.527 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)C1 1792440832 YNWOLZCIVVMWPU-JLVBRIDZSA-N 448.483 0.740 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1792567624 XQWQDMUILWEZSM-ZLEBYVQHSA-N 436.509 0.326 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc1 1793146630 YVBDKLCVUAKJFJ-NXOAAHMSSA-N 447.513 0.388 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1793372443 YAIDCRZTUJFUKS-FRQROOTJSA-N 437.493 0.581 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)C=C)C3)c(O)n1 1794490761 MIEPFZNIEVQQJE-IHSNIMORSA-N 442.516 0.800 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC2(O)CCCCC2)C3)CC1 1797934307 IZWHCMNMVOBPEX-WKCHPHFGSA-N 444.576 0.487 30 20 ICED Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n1 1799883438 JKQJFZQTBIETKK-CWPLJXCYSA-N 433.472 0.843 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1800181518 RLONPIBEJDPLBS-RMFSNUHRSA-N 443.573 0.564 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C(F)(F)F 1800548230 MIELNHQVFYHTOP-RVMXOQNASA-N 427.445 0.022 30 20 ICED CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)OCC 1801146274 UTFRZMBAAWOIOA-KQKQWAPWSA-N 441.525 0.894 30 20 ICED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1 1802228705 IUPNMGVSEJVSSM-OPMZPASUSA-N 426.469 0.855 30 20 ICED 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)CCN1C(=O)OC(C)(C)C 1802254142 UOYGXPFXYJDIIO-RUEZSYAVSA-N 449.504 0.310 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(=O)NCC(C)C)[C@H]1c1cccnc1 1802483989 UCFDQBOFCQAUAP-OGBOZSPHSA-N 441.532 0.718 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1802578150 PLNPZCCNADVGTI-SXWKCWPCSA-N 448.527 0.795 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(O)n1 1808261142 GFARJWIWXIDOBS-UXPWSPDFSA-N 438.532 0.906 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)Cn3ccncc3=O)[C@@H]2c2cccnc2)c1 1812343602 DTYIXCDWYRQSGV-UTKZUKDTSA-N 431.456 0.858 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nn[nH]c2C(F)(F)F)[C@@H]1c1cccnc1 1812878499 WZYITUIZVANGNS-IAQYHMDHSA-N 436.350 0.626 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2NC(=O)C3=O)[C@H]1c1cccnc1 1812881625 XKFNTMCMPZWSCP-XOBRGWDASA-N 446.419 0.624 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)COCCOCCOCCOC)[C@@H]1c1cccnc1 1812942159 VLFQFFAZBYMYHA-KNQAVFIVSA-N 433.505 0.417 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1814062827 UPFXQLRVAQCTGG-XMSQKQJNSA-N 446.471 0.725 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1814104664 YPDSFIOIDIUBLD-GHTZIAJQSA-N 432.546 0.231 30 20 ICED N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774175 JLFYOFLAPZDBLN-XIJPWPHISA-N 432.554 0.367 30 20 ICED O=C(NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1cccs1 1831209622 QBLMSYRXDZXLGA-OAQYLSRUSA-N 431.514 0.348 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1831427014 RGPCCUVVEMTHKQ-AUUYWEPGSA-N 426.901 0.735 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1831438933 YBFNFFKDLAAKPB-FGSXEWAUSA-N 433.505 0.896 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831609459 OIXQFIKWTWXXOD-SPLOXXLWSA-N 448.907 0.793 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120765 PXOWQHBFFAKEFE-MXAGAPAXSA-N 447.492 0.005 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccnc3Cl)CCO2)C1 1833247041 SZDSODHMYLSADQ-JLTOFOAXSA-N 439.871 0.982 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1833438952 WEBOHKWZVFKSNK-NRFANRHFSA-N 429.477 0.639 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1833898720 GBCPEPHDMACQIV-OAQYLSRUSA-N 448.524 0.092 30 20 ICED Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1834283649 NMEWFJWIDUUKDX-REWVYZQPSA-N 446.504 0.989 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834959387 HHKILQKTUPVZPX-VGOFRKELSA-N 434.464 0.699 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097231 YOKZELIPOSCNMN-HSZRJFAPSA-N 438.484 0.550 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1835099670 QIWOAUZSKRDQFD-XMMPIXPASA-N 445.479 0.851 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835110871 ZPPHRUOWELWUBN-IFXJQAMLSA-N 445.589 0.774 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(-c5ccncc5)[nH]n4)C3)C2)CC1 1835344395 BKGUTVGRACSORA-JOCHJYFZSA-N 436.472 0.845 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1)C(F)(F)F 1835449760 RNJNTFVGFYOZQH-SFHVURJKSA-N 435.443 0.284 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)COc4cccnn4)CC3)CC2)c1 1836170630 JEYOGDBEIFAREC-UHFFFAOYSA-N 437.504 0.941 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)c1 1836222128 OQFZASKFTMOJAT-KNQAVFIVSA-N 429.473 0.816 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837164523 JPESJQKWPWVXMF-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837243662 UDTDEORMCXTLLC-WRGVRERRSA-N 444.550 0.111 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837396864 NWFRWSAUHHPDAZ-AVRDEDQJSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837398473 BIKXJGCJJBJDEK-XMSQKQJNSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1837402019 BXMGZGDCFJTWDA-WCAVRKLYSA-N 447.532 0.878 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837449040 ZEZXSSUBOHFLSV-VFNWGFHPSA-N 433.461 0.346 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837525017 RNUTVSVFVNBWRN-KKRXVXNVSA-N 447.492 0.384 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837564543 WSRCRDAAFQBNBN-IQTGRTGDSA-N 443.460 0.267 30 20 ICED COc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)ccc1[N+](=O)[O-] 1839137321 NDRZGSGIPXDLCU-HXUWFJFHSA-N 432.433 0.516 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839173787 MFQFVANKVAUTNC-LJQANCHMSA-N 438.506 0.426 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n(C)n1 1839227133 KEBCSBZNTKKFNZ-IERDGZPVSA-N 435.525 0.853 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549336 AWILOQSFBUYMBI-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840165931 OFDLYQTXTIMPRX-BTYIYWSLSA-N 435.546 0.777 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840168011 AWIQWFJZJDMFLG-QHCPKHFHSA-N 439.468 0.695 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1840442176 SZMRESSLQHDSLH-CVDCTZTESA-N 444.532 0.599 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840712963 YXUBFCALWAYNNC-KSFYIVLOSA-N 428.489 0.520 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840842294 AJLCGQFMGGNZPF-QHCPKHFHSA-N 440.500 0.210 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C)C2)C1 1840908822 IBOVYTBYMFYYFX-JWAINBRSSA-N 435.521 0.936 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840929053 YSXDJFOEOFAMFI-XXBNENTESA-N 437.581 0.748 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC4(CCCN4C(=O)C(C)(C)NCCC#N)C3)ccc21 1842919928 QWWRMSMONQUAFG-UHFFFAOYSA-N 438.532 0.976 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 435201116 DUPZWBHQASVIJH-UHFFFAOYSA-N 445.541 0.911 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)C1=O 440280557 IPOWMNLWFYZLQU-PBHICJAKSA-N 444.488 0.552 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465428960 WAAFBDUTFYMMRM-CYBMUJFWSA-N 432.448 0.308 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 467607410 JSPWQKGBTCXZNT-ATWWHYTPSA-N 435.531 0.291 30 20 ICED Cn1c(CO)cnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468096820 NUFYVPRQHPWOPO-UHFFFAOYSA-N 435.531 0.409 30 20 ICED COC(=O)[C@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 470005484 YLBZPEUMYJHFNG-HXUWFJFHSA-N 434.518 0.276 30 20 ICED Cc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 479114386 JYHSWPSAXBMYPD-UHFFFAOYSA-N 425.492 0.720 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(n3cc(-c4ccc(OCC)cc4)nn3)C2)C1=O 500505236 WRPBUYUQNTUOFC-UHFFFAOYSA-N 438.444 0.704 30 20 ICED CN(CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)S(=O)(=O)c1ccc(C#N)cc1 505545244 QCNKIGQFDDMYLZ-UHFFFAOYSA-N 441.469 0.869 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 507396068 CIZRGRHTQLKJEA-INIZCTEOSA-N 442.451 0.917 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 508847179 JZEIABDDRUBLOD-UHFFFAOYSA-N 439.563 0.828 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cn1 509777245 OMECMIGKUSTZGZ-UHFFFAOYSA-N 432.487 0.525 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CCN(C)CC1 516372617 MJJNVRRQYBALCJ-UHFFFAOYSA-N 444.532 0.581 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 520382436 FKHMYXCJTBNGFQ-UHFFFAOYSA-N 433.597 0.690 30 20 ICED C=CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 521810614 VZJXVIOXPDKYRN-GOSISDBHSA-N 440.552 0.444 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 530317695 AJSXWFCTEKTGRU-LBPRGKRZSA-N 449.891 0.686 30 20 ICED COC(=O)c1cn(C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)nn1 546809413 NKSXMIWHDYZMPT-UHFFFAOYSA-N 442.480 0.219 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 550499478 SSJACXIWEMRHNI-UHFFFAOYSA-N 427.549 0.457 30 20 ICED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 558075432 LWZBYXOBXPTANV-GJZGRUSLSA-N 443.460 0.765 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 558121160 DTTKCLCHUQFJED-YPMHNXCESA-N 449.459 0.391 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCn3cnc(C#N)n3)c2)CC1 558322754 AUYYJWPBUMEXIB-UHFFFAOYSA-N 432.510 0.298 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 559677966 HQUMFEXKFHZNBK-GFCCVEGCSA-N 429.296 0.799 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2=O)n1 577436855 ZBVIBUNQPAPDCZ-QGZVFWFLSA-N 435.488 0.252 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(N)(=O)=O)cc3F)n2)nnc1N1CCOCC1 583924141 HWSZHRIJQYAXED-UHFFFAOYSA-N 449.468 0.728 30 20 ICED CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 585715210 GTAYLOOQAXPOJC-UHFFFAOYSA-N 426.565 0.544 30 20 ICED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 604483861 VUQUWCCBOZAXCU-UHFFFAOYSA-N 440.469 0.433 30 20 ICED Cc1ccc(NC(=O)[C@@H](C)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 611175494 GPPLHNOWKIPUFD-GOSISDBHSA-N 449.577 0.874 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCOC2)c1 619859540 UWKRLWBYEAEDGM-RDJZCZTQSA-N 446.533 0.961 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 726042497 CNWFAYKJVHRTLJ-CHWSQXEVSA-N 445.428 0.544 30 20 ICED CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402330 FLZTWSFKQMGVPF-LVHCJKAXSA-N 428.536 0.307 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729673636 YXAQHXOPQFBSRS-UHFFFAOYSA-N 445.566 0.353 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)CN1CC(=O)NC1=O)CCCC2 732356802 KZOJPVPMGRUVCI-CYBMUJFWSA-N 443.460 0.451 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C1CCN(C)CC1 732562857 LNVYSKKZWQMNPW-UHFFFAOYSA-N 442.589 0.812 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](S(N)(=O)=O)C1 732665394 YOJLCDBFHCMWAB-JSGCOSHPSA-N 428.536 0.173 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)n(Cc2ccco2)c1C 733564792 OEAXEZSCZVFTFH-UHFFFAOYSA-N 441.400 0.520 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734561823 NJESSLBQHULCCK-IBGZPJMESA-N 444.469 0.907 30 20 ICED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 740075078 CNGZFDCRGHJNMW-UHFFFAOYSA-N 442.519 0.986 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCNc3ncccc3C#N)CC2)cn1 741277112 LXAWAOIQAFZHGJ-UHFFFAOYSA-N 432.510 0.251 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)nc1 741448743 FHIBZJMICKDCHZ-AWEZNQCLSA-N 436.538 0.226 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 747741253 BUPOKTRRNAEPDU-UHFFFAOYSA-N 439.559 0.300 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 761030774 LWRNWRZOZMBZNB-UHFFFAOYSA-N 447.605 0.115 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 765518138 XRYSRERIQPIDPG-BXUZGUMPSA-N 432.424 0.847 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 771295618 IXQMJCROIZSRHO-VLIAUNLRSA-N 435.502 0.664 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 773306170 HLPDKNVPTLBLDH-UHFFFAOYSA-N 425.507 0.863 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)cc1 774449828 YDYZPXLQASFBIN-USIKMKBCSA-N 438.506 0.706 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@H]1CCS(=O)(=O)C1 774779073 ZSXLXMROAHQOKF-HNNXBMFYSA-N 441.554 0.591 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 778601011 WAQGXAPYRTUVTL-UHFFFAOYSA-N 426.473 0.149 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 780049885 CALMFBHDPOWVBG-CQSZACIVSA-N 434.460 0.941 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2OC)c2nccn2C)C1=O 785643974 RCMHNHLMJDVHJB-FUHWJXTLSA-N 425.489 0.880 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NC1(C#N)CCC1 787708476 ATMQMCSPMRUAJQ-STQMWFEESA-N 434.474 0.181 30 20 ICED Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1N1C(=O)CNC1=O 794264308 AIJCMTNFTKILSM-UHFFFAOYSA-N 427.442 0.728 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 802722958 SOCMQIYIGWHRRP-UHFFFAOYSA-N 434.481 0.258 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cc(C#N)ccn2)cc1)S(C)(=O)=O 807188748 OUBNITSQMBZYGA-UHFFFAOYSA-N 438.487 0.488 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 808328733 SHEPQHLOSRHSPM-HOTGVXAUSA-N 429.543 0.083 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 887546165 DRPXIUCPNPYEQK-DZKIICNBSA-N 441.506 0.275 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916876057 YQOSREMVRYIYCE-INIZCTEOSA-N 432.502 0.709 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1117104872 FKSHBPWODRAQTP-NSHDSACASA-N 430.533 0.270 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1315014284 VLRIUCPGKRZBAY-MRXNPFEDSA-N 444.517 0.345 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CCO1 1316535661 XDZYIMMVADRCNK-LLVKDONJSA-N 438.370 0.333 30 20 ICED COc1ncc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N 1674317739 MOJBDBRRWHAXSU-ZIAGYGMSSA-N 438.510 0.465 30 20 ICED COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1697636436 YSNUARZPBJTXAU-ZBFHGGJFSA-N 449.537 0.659 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1722870681 VRBNSANWVOWEGG-HOCLYGCPSA-N 436.542 0.183 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1764582369 ZAGZSVZRIMYECF-MRXNPFEDSA-N 446.533 0.878 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)C1 1770343814 OUECNSALCGHMSO-DLBZAZTESA-N 431.522 0.274 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395472 YYIIFNUOFDJDKO-YLJYHZDGSA-N 440.562 0.244 30 20 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30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c1 1790268850 BCNXHXWAXROUIE-WDSOQIARSA-N 426.473 0.912 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1790878189 IEUGGGHFCWPISK-LUKYLMHMSA-N 446.447 0.672 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791234953 WKNAZUCRZRWJBA-XUFBONQXSA-N 432.517 0.760 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CCN1 1791344517 MVTKBAGOWYRQTA-XWSJACJDSA-N 431.533 0.191 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1792145662 FDHJQGGKEDNALT-ZOBUZTSGSA-N 431.518 0.543 30 20 ICED 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#CC1CC1)C2 1793087899 RRLBLHWXSWDNCJ-WQDJSCAQSA-N 445.516 0.568 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793314322 RZXCGAGYCXIENM-RMFSNUHRSA-N 433.530 0.515 30 20 ICED 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JGAPOTPYWAMSOM-HSZRJFAPSA-N 446.548 0.928 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835676794 ALPUPULHBAUYTQ-NRFANRHFSA-N 430.509 0.137 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837395057 OOTISXOIQBNODK-MGPUTAFESA-N 438.912 0.773 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCCC#C[Si](C)(C)C)CCO3)C2)n1 1837428460 KARQWEPLJUESCL-NRFANRHFSA-N 447.612 0.936 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccn1 1837446594 FBUAHQHXDZGURI-ORHXZUFZSA-N 432.525 0.372 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837488962 WFNCHBBDRXZNSM-HSZRJFAPSA-N 444.532 0.497 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccccc1 1837611025 ANBRAXLJITZPRU-GBXCKJPGSA-N 441.528 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1839175690 ZFBSKAFWIAPHAS-JOCHJYFZSA-N 432.473 0.972 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839225177 AIUKFHRVUDPQPX-OXJNMPFZSA-N 440.497 0.086 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667385 NBNJJMFCQFNARU-HTAPYJJXSA-N 428.489 0.070 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2)C1 1839683958 RXDUXEOFKCWJKU-VWKPWSFCSA-N 442.509 0.578 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1OC 1840162117 MTHIXODHBDBOAK-DJJJIMSYSA-N 425.507 0.487 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646009 ZILFZIGVFNHJPA-QHCPKHFHSA-N 445.516 0.838 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840927195 CPBJWBREPREUOU-QHCPKHFHSA-N 449.596 0.457 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)n(C)n1 1848331133 ZDFRPFCZVKSTBS-BPUTZDHNSA-N 431.493 0.858 30 20 ICED C=CCNC(=O)NC(=O)CSc1nnc(SCC(=O)NC(=O)NCC=C)s1 10798341 YAVJDFGHWQQKFF-UHFFFAOYSA-N 430.537 0.746 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1=O 104865255 RWUZHPWEHJHELV-UHFFFAOYSA-N 436.415 0.804 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1OC 435204024 TVKJKFWUSVNFGM-UHFFFAOYSA-N 429.498 0.134 30 20 ICED COC(=O)[C@H](O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 438207791 ANAFZOVBOBHPSY-LJQANCHMSA-N 449.529 0.731 30 20 ICED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 438729071 AEEXETVVFQMXKL-UHFFFAOYSA-N 427.508 0.435 30 20 ICED COc1ccc(NC(=O)Cn2c(C)nc(C#N)c2C#N)cc1S(=O)(=O)N1CCOCC1 442904093 AHLALZDYZGMHLL-UHFFFAOYSA-N 444.473 0.603 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 447216105 FNBOKWRNVDAOPI-CWLKWCNXSA-N 436.468 0.464 30 20 ICED CNc1cc(N2CCC[C@@H]2CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ncn1 464613691 CMDUJYJTTFBHIP-MRXNPFEDSA-N 443.533 0.796 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 465201737 ZLRYNJHJANNLAQ-CYBMUJFWSA-N 434.547 0.852 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1=O 481150685 AGNKPCQHIAVESK-MRXNPFEDSA-N 444.517 0.939 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 481506043 BPFNYFPIFLZHMS-QAPCUYQASA-N 434.518 0.465 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 491053805 UENGANDSUHZHJM-UHFFFAOYSA-N 434.449 0.877 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCCO2)c1=O 505699749 KSKHSPMEFOVQLK-HNNXBMFYSA-N 427.530 0.303 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC2)cc1 505722466 FVXCSWURALMYGP-IBGZPJMESA-N 438.550 0.748 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 517506537 KHPMYDVKLHWKMI-RBUKOAKNSA-N 448.545 0.327 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 550333789 AXKMTTFOMBIAPS-CZUORRHYSA-N 429.926 0.832 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(C)(=O)=O 551189847 SYVLFNYBSVIFEE-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 553807837 DWLJHISHZLHGEQ-DLBZAZTESA-N 431.468 0.146 30 20 ICED Cn1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(Br)c1=O 557538435 SJDIOQOXJPISBV-UHFFFAOYSA-N 425.264 0.936 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)C2)c(F)c1 557612453 BLJZFYBNTUOHML-CQSZACIVSA-N 433.469 0.175 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 558157733 DGHHVMYKCFULQR-UHFFFAOYSA-N 448.465 0.083 30 20 ICED Cc1c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1-n1cnnn1 559006810 LQMKYYHHKKKTBR-SFHVURJKSA-N 444.455 0.698 30 20 ICED CC(C)(CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 559383719 LTULKWYSZNIYRM-SFHVURJKSA-N 427.505 0.397 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 572687026 LBAIWBJLARNEDC-NSHDSACASA-N 435.366 0.604 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 578169187 RQQBGOJXCDIOQH-NHCUHLMSSA-N 425.533 0.701 30 20 ICED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 581064234 IOJOMTNSEQCBCR-IBGZPJMESA-N 436.516 0.950 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCN(C)CC1 585704754 IFSYMOFLYBBNHM-HXUWFJFHSA-N 441.580 0.426 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 586830980 VSKLTXBLYFQKDJ-OAHLLOKOSA-N 443.460 0.767 30 20 ICED C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(C#N)c1 587719954 SGDTUFWSRWXHKR-YJBOKZPZSA-N 434.518 0.388 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCn2cnc(C#N)n2)c1C 588019275 FKBMVWVUVIYSNN-IRXDYDNUSA-N 446.533 0.324 30 20 ICED COCC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 589038252 IYDRHWNFDPFJSA-IBGZPJMESA-N 441.506 0.773 30 20 ICED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 609101088 GQAJUXTVBHEICN-IBGZPJMESA-N 425.489 0.057 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 609467795 IXYMMYQDHAVULG-UHFFFAOYSA-N 436.538 0.975 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 611561748 GWOQPDZQDFWUNG-SFHVURJKSA-N 428.470 0.896 30 20 ICED CN(CC(=O)NCc1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 671998647 TXPQULFKKGMLRM-UHFFFAOYSA-N 449.485 0.904 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(c2cc(C#N)ccn2)CC1 725767595 BPBPJRMRPISITE-UHFFFAOYSA-N 442.501 0.891 30 20 ICED O=C(NCCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 732466050 JZBLMWUUIQNWCW-ISLYRVAYSA-N 425.445 0.888 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CC(=O)OC)c1 737860398 RNBRNYZKUMRLGM-UHFFFAOYSA-N 448.295 0.513 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 742143663 LVTXOQFUEGLDQV-UHFFFAOYSA-N 449.479 0.982 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)Cc2ccon2)ccc1F 750074930 CWMQFMKTQPQZMB-UHFFFAOYSA-N 446.482 0.127 30 20 ICED N#Cc1cccc(OCCCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 763490790 DGVQRANKLKFIQC-GOSISDBHSA-N 427.548 0.462 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(-c2cc(C)ccc2C)c1C 771890858 INOXIPNUKJZPSH-UHFFFAOYSA-N 444.517 0.897 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCCO1 773802309 ZSASIPQPFJOWNQ-XBVCBVALSA-N 432.502 0.735 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 783346052 BRPCSLJQGSZOCU-UHFFFAOYSA-N 443.547 0.517 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 783546844 DCODJPKHYAEHOF-UHFFFAOYSA-N 425.532 0.676 30 20 ICED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805375787 AUYPMSUYGWMMMF-UHFFFAOYSA-N 434.562 0.920 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812266853 DSBMQIUHKFMTKN-QZTJIDSGSA-N 432.550 0.945 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 856369961 REVCKDITIQEVDP-KBXCAEBGSA-N 438.502 0.832 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)o1 914684664 NLVOBCMPXHBZNC-HUUCEWRRSA-N 443.460 0.222 30 20 ICED C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CCC#C)CC3)c[nH]2)CC1 920767608 ALTLTZWHYPUTDL-UHFFFAOYSA-N 431.562 0.125 30 20 ICED CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1273135115 STEQESQZVQFLLL-INIZCTEOSA-N 442.563 0.403 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1294881636 RGTTUHCBMRAAPD-GOSISDBHSA-N 425.493 0.684 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1297290185 PSUNIVDZYSRTGB-IBGZPJMESA-N 430.557 0.155 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCNS(C)(=O)=O 1298328348 IGTIPDKYLGEFLA-UHFFFAOYSA-N 431.522 0.458 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1318041385 NJDUHSCXYKSJSJ-YXJHDRRASA-N 447.513 0.878 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 1510292976 CAGILVRPJFKRJX-HZPDHXFCSA-N 438.554 0.778 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1541801450 WSHCIJQZYXSXNO-YJYMSZOUSA-N 433.490 0.962 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1611711445 OCWXZLTVODHVPL-GMBSWORKSA-N 434.522 0.525 30 20 ICED C[C@@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1612819454 YEJXBSMSZSJDCG-ZACQAIPSSA-N 439.586 0.834 30 20 ICED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)C)C1 1628816934 RWYHMXDJGJVBME-HKUYNNGSSA-N 449.577 0.530 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[C@@](O)(CC#N)C1 1665214345 CIBYKQZTFSFHTJ-IBGZPJMESA-N 438.506 0.989 30 20 ICED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1691367890 JSPIORMUTSKXQH-KBXCAEBGSA-N 426.543 0.512 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1696100367 ZXNHIZHISRZDFA-WBMJQRKESA-N 432.403 0.337 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CCO1 1711364551 YUXNIHWQOYHLSN-QGZVFWFLSA-N 439.520 0.930 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CCO1 1748210805 KNQGDCFEEAFEOS-QFBILLFUSA-N 439.520 0.489 30 20 ICED COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769175463 XWEZHCJLSMOOHF-GDBMZVCRSA-N 439.586 0.737 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1778968817 WWYWZEAWWYBJOR-IERDGZPVSA-N 435.546 0.881 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1779123034 KOUQINVVZYVSNJ-GWJNGDFSSA-N 446.508 0.014 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779377429 LXALNYZEVXORND-WHSLLNHNSA-N 440.610 0.557 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780802912 MFQDYIDNYBJOJB-FRQCXROJSA-N 431.555 0.736 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(C#N)c1 1781177461 XILZAEZEJFZPHS-VGOFRKELSA-N 426.473 0.075 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1782917611 ROJXLODBLRDIMO-ALQCXSEESA-N 437.493 0.689 30 20 ICED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783683765 OTMXBDBCRHKSDB-HSZRJFAPSA-N 445.516 0.980 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783907157 YNJKZJOXEQQBFC-PNCHPQGNSA-N 449.548 0.848 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1784016178 ONAGBMBEWHVMKY-FHJLPGHOSA-N 441.484 0.828 30 20 ICED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1784411518 FTLZEVZFENGVTL-SNRMKQJTSA-N 428.489 0.225 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1 1785077158 RIMWQBVPNFKXCV-OYHNWAKOSA-N 439.472 0.309 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)c1 1785170627 MVZUBXDHZUKCQQ-ACRUOGEOSA-N 447.495 0.977 30 20 ICED Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1785338036 CBIVFCCSTRMSOI-FHWLQOOXSA-N 430.553 0.762 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C(F)(F)F)cn3)[C@H]2C1 1787246731 DYUYGSYJFKKHMZ-GVXVVHGQSA-N 426.351 0.177 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](S)C(C)C)n1 1793384298 WBFYTKROOUWERX-CYGHRXIMSA-N 436.578 0.831 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793775223 DMTORZNYBCAEJX-OHHNFCFSSA-N 431.533 0.405 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc(OCF)cn1 1794411129 PGCQEOLHDFMNFC-GEFNZJBYSA-N 434.472 0.457 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796522999 HIQVDJQMBDZCQB-MVJTYMMSSA-N 443.504 0.596 30 20 ICED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)o1 1797747501 UINHPISUEDKBCE-VZEXOLIBSA-N 448.476 0.970 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nc(O)n2c1CCCC2 1797985727 ZTIGNDIOTBVXLV-WRGDSQCOSA-N 444.536 0.600 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC3CC3)c(F)c1)C2 1800778924 WCUQIUGRLIISQH-VPTLXERWSA-N 430.432 0.906 30 20 ICED 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 1800981206 KWINXNKCMLDYIJ-AHDPXTMNSA-N 431.555 0.170 30 20 ICED Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1801246996 LYILAVUEGBZUPL-OPVJXMOQSA-N 430.553 0.762 30 20 ICED 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)C1 1801555240 ZHQMPPCGJWTZSA-MHORFTMASA-N 436.553 0.607 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)c(=O)nc1O 1802692239 AXTJMMYIYJDNBG-AEFFLSMTSA-N 438.488 0.908 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)c1 1807483260 QQNWCPAAYGSBRK-UHFFFAOYSA-N 433.486 0.418 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1812668375 JLAIHMASHZPXAB-WMLDXEAASA-N 435.431 0.851 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2)C(=O)O 1815080993 XJEXODOTXQNPKK-QZCWFCMWSA-N 436.538 0.590 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816623382 MUUYJNXASRGEHB-XJKSGUPXSA-N 439.476 0.694 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829801685 HDSGIOZUCXNCKV-VGSWGCGISA-N 429.521 0.998 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1829860016 MQYOUXNAMGLNCC-SYNHAJSKSA-N 426.514 0.158 30 20 ICED COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830490715 WGHSCZGAJNSSJN-JOCHJYFZSA-N 431.489 0.820 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831407436 ZLTPCIWMAIRLIQ-NRFANRHFSA-N 435.477 0.546 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1831413713 FZYAJDBMPNYEFU-KNQAVFIVSA-N 434.537 0.958 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831438106 MMPFFHUSUMCFQW-ZHRRBRCNSA-N 431.489 0.447 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cc[nH]n5)CCO4)C3)c2c1 1831766529 HNQCGLIOLFKVMH-NRFANRHFSA-N 435.444 0.541 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833204070 LLEQXQUJJFMQNR-HZQHCPKGSA-N 449.895 0.058 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC3)CC2)C1 1833448388 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C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837286598 JYTYKXREJUMDNY-QBJJFQHPSA-N 444.532 0.495 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1837398921 KWWPPEDRQFQPTE-WAPODSJJSA-N 430.567 0.175 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1837399458 UJGLWNKSTZUARV-MGPUTAFESA-N 440.928 0.717 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837519285 XLQZQECIIIFLTR-PGRDOPGGSA-N 439.553 0.086 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566729 IRRIMOALWSOWRQ-YVABFXQFSA-N 447.488 0.664 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837661621 NATIODSTWHISSJ-HSZRJFAPSA-N 447.532 0.750 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1837689445 XXMIAAYOTLFKNQ-NJNPRVFISA-N 448.520 0.667 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837819532 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C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840161775 AFDZHVLGLSXNDR-XOBRGWDASA-N 431.518 0.860 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1)c1ccc(O)cc1 1840221488 UQJCMQPWJYUEMX-HYBUGGRVSA-N 443.544 0.907 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840405671 ZOBKFAQLZAHYLZ-HRAATJIYSA-N 426.477 0.723 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840833563 MRXCWFPKUSHWTF-QFIPXVFZSA-N 427.457 0.616 30 20 ICED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1846367698 KJCURLVGWIGHPM-CQSZACIVSA-N 430.534 0.701 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCOCCOC 1847810303 VOQPAHWPSAEOED-QYZOEREBSA-N 428.526 0.476 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409498711 IVWAVVNKIRWNMX-GFCCVEGCSA-N 426.394 0.538 30 20 ICED Cc1cc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nn1CCC#N 439666417 VNTQVRNEMFWRBF-UHFFFAOYSA-N 437.448 1.088 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 444607369 IQHQZMBGPXMJKZ-QGZVFWFLSA-N 436.896 0.967 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)c1C#N 472155976 NCPNFMWWAPYMOM-UHFFFAOYSA-N 431.447 0.755 30 20 ICED CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 478206008 ZMXHOYAWAODNMD-DLBZAZTESA-N 440.460 0.706 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCCSC)c1=O 488992519 KLOFIOMUMGIODL-CQSZACIVSA-N 432.571 0.988 30 20 ICED Cn1cc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C(N)=O 503167548 WXDNLGSOHFXJEK-UHFFFAOYSA-N 430.446 0.755 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(Br)cn2)c1=O 505710991 QBQWJWYETZPOSD-CYBMUJFWSA-N 449.330 0.403 30 20 ICED CN(C)C1(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)Cc2ccccc2C1 506406086 IWDWYKRXMGIOMK-UHFFFAOYSA-N 432.528 0.817 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 514918869 FFSQRNYZFAYAFM-UHFFFAOYSA-N 449.916 0.968 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536562 CMTAYAUIXWQVCV-UHFFFAOYSA-N 433.493 0.422 30 20 ICED CO[C@H](C)c1noc(CN2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 537047896 WCPVRVWEWIUVOE-RTBURBONSA-N 447.584 0.977 30 20 ICED CN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)CC1 538057875 FWVMNLQUVWWGHJ-UHFFFAOYSA-N 443.552 0.851 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541074528 DTVCBWGRGAKUCC-LLVKDONJSA-N 434.499 0.720 30 20 ICED C=CCn1c(Cc2noc(-c3cc(S(N)(=O)=O)c(C)o3)n2)nnc1N1CCOCC1 544250988 DWUSWHPOVCNINM-UHFFFAOYSA-N 435.466 0.490 30 20 ICED C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549646373 LNCASJHISWZLFE-CYBMUJFWSA-N 448.325 0.769 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)n1 550493502 UXSFFQUMRSPNMX-UHFFFAOYSA-N 448.527 0.750 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 555289764 AZOCWFDKRQVNGM-UONOGXRCSA-N 434.588 0.230 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 561703204 KYFFRXRMLVOJLJ-IBGZPJMESA-N 440.500 0.968 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c1 588123958 PVKPZNRDSKEQSW-LJQANCHMSA-N 443.504 0.372 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CN(C)CCO1 589139037 LUJYVQNCMCAHBB-OXJNMPFZSA-N 436.516 0.590 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC 604434430 DMVRBSZKBNDMEG-UHFFFAOYSA-N 444.469 0.638 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608912528 USQDYVXZMKGASD-UHFFFAOYSA-N 436.493 0.683 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610810178 VMVRMDQRYAJAJK-IGCXYCKISA-N 430.490 0.269 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cn2)c1 615100938 LSBSEJFPJFKUCJ-INIZCTEOSA-N 429.458 0.964 30 20 ICED Cc1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 615974494 WGQRJZBHABCQLC-OAHLLOKOSA-N 446.537 0.819 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 725897331 RKOUQGBQRAHTPV-OALUTQOASA-N 432.546 0.938 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 726993249 UTUQEOFQSFHZHX-NRFANRHFSA-N 436.428 0.946 30 20 ICED COc1ccc(CN2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910904 WDTLUOSSQFVVKA-WBVHZDCISA-N 433.486 0.010 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)N1CCN(C)CC1 733977322 KZYMQNDGPKIDRF-WMZOPIPTSA-N 435.594 0.892 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 734413304 UHURTWGYPXWATJ-UHFFFAOYSA-N 448.526 0.565 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735116656 RNQXRCHRCJCMCY-VHEBQXMUSA-N 434.474 0.200 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758051755 XTFGASHEPDKVGI-UHFFFAOYSA-N 444.944 0.946 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 758089365 MBFYPUFDULDLJE-RHSMWYFYSA-N 429.882 0.331 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cn2ccc(C)c(C#N)c2=O)CC1 758205162 KOJMQRATFKJXEE-UHFFFAOYSA-N 448.501 0.989 30 20 ICED COCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758766004 DEJRRQAAVDZELH-RRFJBIMHSA-N 430.527 0.591 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c2ccccc2O1 762003992 AFDPSZLJANOYLA-WOJBJXKFSA-N 434.452 0.998 30 20 ICED CC#CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 762512621 SSQDYVWSSNXQNC-BSBNDGSWSA-N 434.543 0.826 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@@H]3CCCCO3)c2=O)cn1 772332533 SXVLLFHLUWHCPK-INIZCTEOSA-N 427.530 0.805 30 20 ICED CN(Cc1nc[nH]n1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 784943218 ORQUXIIOWWKKNR-JJIBRWJFSA-N 447.521 0.995 30 20 ICED Cc1cnccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786033045 MKZAIFAREVLKKZ-UHFFFAOYSA-N 428.470 0.952 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCOC2 791691447 HIPQGLOXGCAYDX-AWEZNQCLSA-N 432.506 0.722 30 20 ICED CCOC(=O)c1c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]c1C 792783893 FDFJPEXGEUIIQY-HNNXBMFYSA-N 431.474 0.846 30 20 ICED C=C(C)Cn1c(SCC(=O)NCCC(=O)NS(C)(=O)=O)nnc1-c1ccco1 800548850 ALNLISMLBWNEPK-UHFFFAOYSA-N 427.508 0.788 30 20 ICED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 805062780 PSNFAWDYPGNKQO-GOEBONIOSA-N 437.541 0.967 30 20 ICED C#CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 806911247 KNKILIWHAMGTKT-QGZVFWFLSA-N 434.537 0.834 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2=O)cc1 812502764 ONNDIOOUZOLOMW-DOTOQJQBSA-N 444.469 0.372 30 20 ICED CCS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 816127564 YQUPDTXDNHVBJC-NSHDSACASA-N 430.464 0.333 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1303824033 UDANBSUKCDXJCX-CYBMUJFWSA-N 444.583 0.453 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 1343904689 GOHCWTCWIJJDPW-UHFFFAOYSA-N 435.550 0.976 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1360682245 YPIAXWYPHCTKPC-DEBKPEHPSA-N 432.547 0.631 30 20 ICED CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1461976178 PNGKYYAJNLTDOQ-UHFFFAOYSA-N 444.469 0.593 30 20 ICED CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1541513992 LFXQJYWRQXMEFD-HNNXBMFYSA-N 431.584 0.991 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1619553856 GARSQXKICVTQPY-JOCHJYFZSA-N 440.504 0.700 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1698061975 ZSOJIZAPBFEMRL-JKSUJKDBSA-N 426.543 0.572 30 20 ICED CS(=O)(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1712686562 WZYPTZZURKXXTF-MRXNPFEDSA-N 444.517 0.581 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1743482267 NZXIRJHBCIIGPQ-MNEFBYGVSA-N 440.570 0.902 30 20 ICED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1748663411 WHBFGQCAXBWFLS-KRWDZBQOSA-N 445.549 0.679 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1749824933 REGMBSUWWFKBET-HXUWFJFHSA-N 449.533 0.870 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2(O)CCOCC2)cc1 1750384052 LUPSEGVIDDBTMY-MRXNPFEDSA-N 426.477 0.582 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CC1 1751213737 SNDCTBLQZVYIRB-OAHLLOKOSA-N 437.570 0.493 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778571053 IERSAPKYPMCGJN-OYHNWAKOSA-N 427.457 0.499 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1778789633 YVWGUQCGIAWSTI-LAUBAEHRSA-N 430.461 0.375 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1779269948 CCPUPDYJKPNBOU-AMEVOLBXSA-N 435.565 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1779333371 GPJUEDMHHVWPKL-SMASLZHESA-N 445.520 0.276 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779397051 IVPLZYWGMVCADQ-XMSQKQJNSA-N 442.516 0.596 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779446307 CCAJRONWJYJQHW-XRWLCIBQSA-N 430.505 0.739 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1780961602 JWRMAMOSTBJLNU-QFIPXVFZSA-N 426.473 0.216 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781254165 FHPUEHQAEYZTMG-WHSLLNHNSA-N 438.525 0.420 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300620 YGQPTUGKXDMBPO-VXKWHMMOSA-N 447.463 0.686 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1782117131 DPZXGCLAZNQTKJ-QFIPXVFZSA-N 436.424 0.381 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782223541 UEHSFEUINRBYFS-BXTJHSDWSA-N 428.551 0.891 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c1 1783957291 QSCJFSZNVSJDBT-FQEVSTJZSA-N 433.486 0.828 30 20 ICED O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786724638 UINIMKRESSBHBX-PTQOGAHQSA-N 447.557 0.799 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1786858181 GUPSXFZOWRPAIW-BQFCYCMXSA-N 439.520 0.604 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600866 FUZNKFRIUWYKIB-NIXLGWEQSA-N 443.552 0.728 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631714 RMXPCMMGDHVMFB-MUGJNUQGSA-N 433.549 0.579 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c1 1789255810 JDCMNWGSWHYGHU-YYWHXJBOSA-N 442.516 0.492 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)c1ccccn1)C2 1792491246 CNQXWSQESXODGH-VKDSVZAHSA-N 426.517 0.807 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796397981 BWLHYXYVOPZAOU-QVXMBZQBSA-N 428.537 0.013 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797700916 WZIVJIFBNOBXFB-FRQROOTJSA-N 431.468 0.608 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797839904 BEXNFYXCGPYNQM-YKOWFYHYSA-N 442.516 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1ccccn1 1797970609 GXOYZGPGKAUCDN-HUSXULAJSA-N 427.505 0.330 30 20 ICED C#CCO[C@@H](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 1799135118 YYRVAKXKQDVVBC-MDMSPXHWSA-N 437.537 0.870 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1ccnn1 1799326717 ANMGHUPRWAHCQE-NYYTWLDWSA-N 426.452 0.682 30 20 ICED CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883272 FQUIUMXGXGVHRJ-DUXVGFTPSA-N 437.456 0.757 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2OCC[C@@H]2N(C(=O)OC(C)(C)C)C1 1800764275 ZPHVLXNOINSSLA-DOZWFGMRSA-N 447.532 0.624 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1803920267 VFIIYOXIMQHQHE-VGSWGCGISA-N 446.467 0.916 30 20 ICED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)NCCC#N)C3)c(=O)nc1O 1804092533 SPKPBSCCNXCLRB-MUJYYYPQSA-N 430.509 0.177 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804094999 NXOIAOYYAYKLEW-DYESRHJHSA-N 425.489 0.833 30 20 ICED 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#CC1CC1)C2 1804428866 OIDMGRPZMINFBA-YVSFHVDLSA-N 432.521 0.807 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807744019 YDUAAOBFIAENED-MGPUTAFESA-N 441.513 0.966 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CC1 1809667083 ONGQDCCXVQKQPQ-FPOVZHCZSA-N 438.532 0.555 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810360101 DTEARUVOMDYHHY-OECZQKEUSA-N 434.493 0.625 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2c2cccnc2)c1 1811409990 ZLARBCYYXGJMRT-OXQOHEQNSA-N 436.472 0.950 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1814436113 KLTCNISJKMIDIW-TUYSUELWSA-N 430.509 0.592 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(n2)OCCO3)n[nH]1 1817963720 VLZKUXIJHWUGOB-AWEZNQCLSA-N 425.401 0.970 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900105 HBIJIZKPIQHUOQ-BYWZACNXSA-N 443.504 0.870 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC(c3ccccc3)=NN1)CC2 1825671577 JGTNPICIWLQASL-CZUORRHYSA-N 437.481 0.909 30 20 ICED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1828922470 IMSNIJVMTOCZPF-OAQYLSRUSA-N 430.461 0.053 30 20 ICED COc1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830994671 YAQHRFIHSYRGGZ-JOCHJYFZSA-N 430.457 0.172 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831114194 AOISXKPNMGVRKR-OAQYLSRUSA-N 441.444 0.920 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831399243 SIRDHWOPRPVUSG-ZHRRBRCNSA-N 429.448 0.806 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831421707 PLYIZBOOVNKEPM-QVKFZJNVSA-N 437.468 0.890 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1831425235 RVPGBUYIKPCQJM-XQFWAAQXSA-N 431.533 0.776 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833026987 CGKLOMKCJQYHGV-FQEVSTJZSA-N 434.518 0.484 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(=O)NC)C3)C2)c(O)n1 1833696279 YVUPUQXGLPJCEV-JOCHJYFZSA-N 446.504 0.112 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833707590 FYFDKDCBEXGRAY-UHFFFAOYSA-N 434.562 0.402 30 20 ICED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1834049036 JYQMDNMQUZPCTC-JPHKLTHBSA-N 446.504 0.989 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CSCSC1 1835344651 OIJHPHWFJZXGSR-DNVCBOLYSA-N 440.591 0.790 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835643101 XIZVQPDVVVZBPL-WMZOPIPTSA-N 444.598 0.577 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1836484285 RRRKEWHITPOFST-PGRDOPGGSA-N 443.504 0.270 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836969599 AFMCBTBHXHBHDL-VGSWGCGISA-N 448.520 0.309 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837397355 VSAJEYATWPPBHY-HTAPYJJXSA-N 443.504 0.601 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794309 NLVVFQRYSHLWIC-NRFANRHFSA-N 439.428 0.440 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)cc1 1838950912 NMQGGVOQMBBGLA-HSZRJFAPSA-N 446.467 0.985 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838953433 XFQUHMOUTNGKNF-WIYYLYMNSA-N 433.530 0.742 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1839174348 VNOKUNCOPOTWHG-NRFANRHFSA-N 435.477 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839174687 RQNVXTKCYYWBQC-UGKGYDQZSA-N 446.504 0.047 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1839453939 KDNMNQPSKRESCE-KKSFZXQISA-N 439.476 0.184 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4c(F)cccc43)C2)C1 1840039627 AUZNAWAKPNCPAX-QFIPXVFZSA-N 443.431 0.325 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840160557 LFSVBQDERYLCKG-SZNDQCEHSA-N 448.545 0.265 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1840176550 MNONQZNPEHIPPA-QFIPXVFZSA-N 432.473 0.885 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)CCC1 1840814514 NRPOMFFTHOODNM-OAQYLSRUSA-N 427.461 0.170 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1840820795 JZEQZDKULLTJHH-JOCHJYFZSA-N 427.457 0.373 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCN3C(=O)C=CC3=O)C2)c(C#N)c1 1841757501 LXBCFEGEWIJDFR-UHFFFAOYSA-N 436.468 0.628 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)Cc2ccccc2C1=O 1847612787 UYDZVXDNHVODFC-UXPWSPDFSA-N 437.496 0.842 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848217353 KAZMMJOLUXYDHD-RMHZUWNSSA-N 431.493 0.995 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)n(Cc2ccco2)c1C 18580515 JCIYKOJNVUPNGY-UHFFFAOYSA-N 425.401 0.650 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 409557726 MFJXOBYQOSGKDY-UHFFFAOYSA-N 433.538 0.436 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)OC)C1=O 427045212 PKPIIKZUZAOGFZ-HNNXBMFYSA-N 430.392 0.484 30 20 ICED CN(CC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)S(=O)(=O)c1ccc(C#N)cc1 440661899 RCGOPFZASAONJL-SJORKVTESA-N 425.532 0.747 30 20 ICED CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 444505267 GFWPOXKUNVGBTG-UHFFFAOYSA-N 432.506 1.081 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1nnnn1-c1ccccc1 460615372 RWNSIGKTHNXOOR-CYBMUJFWSA-N 428.416 0.931 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3nnnn3C)nnc12 467665160 YYDHDZWBATYUSY-UHFFFAOYSA-N 425.478 0.504 30 20 ICED N#Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 469611524 OYQVRKJBHXIAEM-OAHLLOKOSA-N 428.470 0.754 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 471202281 GZGNSSSRDGIECZ-UHFFFAOYSA-N 442.541 0.352 30 20 ICED CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472172070 LCGAVLPKEQOGEU-UHFFFAOYSA-N 443.577 0.949 30 20 ICED C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 472911462 QBDMBVZHHDCADQ-SFHVURJKSA-N 448.593 0.600 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1 483217162 ADUZUDBKXMHIGY-CYBMUJFWSA-N 431.536 0.323 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)n1 484404826 YNFJZUAMFWWXMQ-ZDUSSCGKSA-N 426.437 0.913 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)CC2)o1 490972196 YJRYQTCKFCWKME-FXAWDEMLSA-N 429.569 0.461 30 20 ICED CCOC(=O)c1cnn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 498661148 VZOLVQDKBNAPRG-UHFFFAOYSA-N 447.473 0.591 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 500718310 LDEZXQKYPPJJJE-QGHHPUGFSA-N 434.250 0.754 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 506221658 FPBUEMBHDXRNEO-IYBDPMFKSA-N 442.563 0.360 30 20 ICED N#Cc1ccc(OC2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 512823940 NQEVHKXUMHCFAA-AWEZNQCLSA-N 438.481 0.553 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC(O)C2)cc1 538781662 PNFFUQVNXVFXOB-NHCUHLMSSA-N 432.484 0.161 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@@H]2CCOC2)c1 549658889 DOAAMDRMIQLPSV-KRWDZBQOSA-N 449.515 0.780 30 20 ICED CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 554157014 AAGNSCPLTMIJSV-AEFFLSMTSA-N 445.495 0.536 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 561006148 XLKJXRJZFZAOKR-MSOLQXFVSA-N 426.521 0.801 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O 567128742 KKPMOXZWMXWFOI-INIZCTEOSA-N 444.517 1.202 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 571807321 YJOYPLSXKHXGCC-DLBZAZTESA-N 440.479 0.761 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2=O)cc1 582688285 WNCIHCPOLYQCPK-SFTDATJTSA-N 432.480 0.894 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)(C)CN(C)C 608912046 AZORKBVNNUVSEJ-UHFFFAOYSA-N 443.573 0.158 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 613103329 ZMJUYNKCVUIBOO-HNNXBMFYSA-N 426.433 0.647 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 619475911 HNGPINZDOGYBIK-UHFFFAOYSA-N 437.503 0.733 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 683040087 JXCPUPCMKWAOGF-UHFFFAOYSA-N 431.537 0.496 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 728209950 BWIKQBWUWWGMJI-QGZVFWFLSA-N 435.550 0.415 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 728570945 PYHHKNOYNBDPFH-UHFFFAOYSA-N 439.438 0.969 30 20 ICED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732911273 YROFEDWCFAPMNB-MRXNPFEDSA-N 441.531 0.295 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 735593812 JYHQLUIAAPEUFQ-SJORKVTESA-N 436.534 0.411 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 736166631 HIMLCHXRWOXQJV-LBPRGKRZSA-N 430.446 0.741 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742798461 NWDOYKWJJKFFAA-AWEZNQCLSA-N 430.490 0.079 30 20 ICED COc1sc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1Br 746600368 NTFFSNQEFLMQAY-UHFFFAOYSA-N 425.289 0.254 30 20 ICED Cc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 746720960 JSNBWCMHHYBTMT-HNNXBMFYSA-N 426.520 0.533 30 20 ICED CC(C)(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 750519042 MQGYKMPHEFRKAX-CYBMUJFWSA-N 444.477 0.797 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CC1 754619713 YRTUCBAEUJTHIR-JTSKRJEESA-N 439.472 0.888 30 20 ICED C[C@@H](CC(=O)N(CCO)CCOCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 757117422 MVERHHLOHMPDEY-LBPRGKRZSA-N 437.440 0.904 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 761684360 XDSGUGCRHOWRLZ-KFIGFNQKSA-N 437.497 0.836 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 766380805 IOKBXJDIFYVBGP-MRXNPFEDSA-N 448.545 0.713 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CCOCC3)C2=O)cc1 767399655 XJCMXRYJQGROHO-IBGZPJMESA-N 430.417 0.357 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O 767675915 LVSYEQUIRFFAPY-CZUORRHYSA-N 431.474 0.697 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 777174620 VFNOGDSJNORQPM-PXLXIMEGSA-N 436.490 0.507 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 782905541 OKVUMGSSOWWFKU-UHFFFAOYSA-N 441.488 0.743 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787759208 MGEOKNBTAHSKMP-KRWDZBQOSA-N 441.536 0.027 30 20 ICED CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788110904 JFARXBGKXZWMSZ-UHFFFAOYSA-N 432.506 0.745 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)n1 789794116 WTWOBHNAQWNSQX-UHFFFAOYSA-N 443.529 0.738 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cn1 803265307 MEQWMMABBBDIBE-UHFFFAOYSA-N 425.474 0.457 30 20 ICED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(=O)NCC#N)c2)CC1 804820447 IDIPACDJOLBBJV-UHFFFAOYSA-N 427.914 0.036 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C1 812163842 PBVILNBXRRWZNR-KRWDZBQOSA-N 434.522 0.893 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250672 VOWPQVIHHSSJAP-UHFFFAOYSA-N 425.461 0.047 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 916780370 RWJCFQHYBCNQHR-GFCCVEGCSA-N 425.410 0.806 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918695384 VUAFTFJIPBEMKJ-UHFFFAOYSA-N 436.515 0.970 30 20 ICED C=C(Br)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 921043684 QHDDCZATICFNCY-CYBMUJFWSA-N 439.353 0.793 30 20 ICED Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1290611940 YRYBDZDLRTVLLI-HXUWFJFHSA-N 447.565 0.819 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 1322633366 LKJBVLKMKZZYFT-WMLDXEAASA-N 430.486 0.768 30 20 ICED Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCS(=O)(=O)CC1 1492949020 OXQKAZZWCVFPNR-GOSISDBHSA-N 431.518 0.976 30 20 ICED COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504851371 JPRFZBNLEOLRBH-SFHVURJKSA-N 430.557 0.269 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1516023667 LXFBOQYPQZFFNG-FXAWDEMLSA-N 446.533 0.486 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539574507 LXDBHKJMBNKXGC-QWRGUYRKSA-N 435.348 0.464 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)c1 1565265695 TYACGCROGGCSIV-HXUWFJFHSA-N 427.553 0.581 30 20 ICED CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCOC1 1619052446 LDOMUODOCMNVJQ-JOCHJYFZSA-N 440.504 0.917 30 20 ICED COC(=O)[C@H](Cc1ccccc1Br)NC(=O)Cn1cc(C#N)c(O)nc1=O 1653206934 QLEHHQIKHRSWEI-ZDUSSCGKSA-N 435.234 0.484 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1712711475 NTNVFCUPULMXBO-HNNXBMFYSA-N 427.490 0.771 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1748134807 WGLMGOVFLTXVQA-FQEVSTJZSA-N 445.549 0.671 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778416109 SQLQSHVSBXWUEV-HLQTZPMBSA-N 425.493 0.873 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1778879503 JFORWEQNCRTIIJ-ZHRRBRCNSA-N 427.505 0.838 30 20 ICED CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1779831804 NAIWTIICVCVUSP-GAMXZPBPSA-N 433.509 0.955 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccnnc4O)C3)C2)ccc1F 1779920468 WDIBFFVCQWSQAI-NRFANRHFSA-N 425.420 0.879 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1780105472 IYEIPJUKLNEQPH-HSZRJFAPSA-N 436.468 0.779 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1Cl 1780192051 QDHOHBUELVHJSY-MGPUTAFESA-N 433.896 0.248 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1780901684 OCAWQAJAPKKNMI-YGKZAACZSA-N 445.491 0.812 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1782013431 LIJRZYKOEACJQC-XMSQKQJNSA-N 437.456 0.687 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1782209606 UPVSOYHWDNRMPH-TYCQWZJGSA-N 432.477 0.630 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C[C@@H]32)C1 1783464805 KEHCTSYMRFBFFR-WBAXXEDZSA-N 425.489 0.891 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556182 OOGKXJWHYIOBSG-OAQYLSRUSA-N 435.477 0.209 30 20 ICED CN(C)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1783566271 SCVZOVMKALGKEP-TZIWHRDSSA-N 433.892 0.861 30 20 ICED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783893414 HPQQAKZLMBNRAO-CKFHNAJUSA-N 431.555 0.674 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784459658 UZQMUFOZHLGEIW-JOCHJYFZSA-N 428.489 0.384 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cc(F)ccn3)[C@H]2C1 1785235514 GKLPVGKEQQSPBS-ZQPXHLQISA-N 444.507 0.991 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1785366497 IDGYZRVUKAQWEZ-JOCHJYFZSA-N 427.505 0.811 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379889 GHJOHOUKUQXQDC-HSZRJFAPSA-N 436.468 0.779 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509891 NSOYIANOSOLJDT-LDFDMIBHSA-N 433.530 0.978 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOC4=O)[C@H]3C2)cc1 1788137268 DBQLHTWVUHONFT-FHWLQOOXSA-N 426.473 0.994 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1cccn1 1788661176 DUWNDSCBMMWVNF-NKWIFXNNSA-N 433.509 0.953 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790788881 JISHCWOLJVHFEP-IUUWJXCHSA-N 447.532 0.483 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1792147029 JMANODMEKLVABT-MPGHIAIKSA-N 425.445 0.659 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)c3ncccc13)C2 1792489951 FIOZWQKOUJYXRU-IBRLJDPESA-N 437.500 0.635 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1792566696 VWTXDADXLHFIGH-PRIBSHHSSA-N 428.533 0.884 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(C)=O)C(C)(C)C 1793193964 HRNVJYYPUYASRT-UKBAYJJMSA-N 437.537 0.636 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793823189 XORLYMAOKHOHTH-ZSBFGKGUSA-N 436.490 0.265 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CC)NC(N)=O)c(O)n1 1796316732 JWOSWDARPPGEOV-DACLVMHWSA-N 445.520 0.556 30 20 ICED CC(C)(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1800773968 MMACJTDFYIMKQJ-ZSBFGKGUSA-N 437.493 0.357 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801443760 XCYFMZFISBWWMW-XFIYOXNOSA-N 447.561 0.354 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1802127441 PFIGYZXMRRHESV-SFNKJDCFSA-N 445.520 0.389 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1804177482 ZHMNTDWXEYCUKX-NQIIRXRSSA-N 436.578 0.293 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810247320 UNXKOEDRTWFXPJ-SVFBPWRDSA-N 430.549 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536436 OJQPFHVPKORLFQ-IUODEOHRSA-N 431.518 0.885 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1826891778 RNWAYLTXLQBQOH-KRWDZBQOSA-N 446.552 0.440 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829519557 LRDXFHACRCCMSA-QRWLVFNGSA-N 438.912 0.773 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1829762429 KCGPUAWZMWEMJA-RMUOZIPVSA-N 446.529 0.299 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)c3)C2)C1 1829770086 DHHOJWGIWBNQDG-XSAUMEDDSA-N 428.489 0.318 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902660 XLOAHIRQNMOYPT-SBUREZEXSA-N 442.516 0.424 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1830177970 RVVOARUXEOAWAP-OAQYLSRUSA-N 447.513 0.464 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1830455944 BHCMIDHJRMUBDT-HSZRJFAPSA-N 425.485 0.926 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1830464662 REAKCCJTNYHLPL-CETSDDCJSA-N 439.512 0.840 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831391602 DFCHAGUBFQRVPZ-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831397297 WRPLQFSMZTWNCY-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831435579 VLEBTVKQMZZBMX-QMHKHESXSA-N 443.500 0.842 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c1 1831609081 LRTDIQJUYGQNET-AOMKIAJQSA-N 428.489 0.448 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1833509480 MURLUYLLTZZOIF-FOIQADDNSA-N 435.481 0.356 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 1833620015 CRFJADIRLIBHAT-HCZHMGAMSA-N 431.581 0.511 30 20 ICED CN(C)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834017066 RLTYXCIHOQIRMQ-UHFFFAOYSA-N 427.505 0.421 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834327409 KTNFNJUCDHBSCB-UHFFFAOYSA-N 427.509 0.115 30 20 ICED CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)c1ccccc1 1835338918 YVNJZODXSHMJQY-QHCPKHFHSA-N 440.500 0.519 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835359930 QBEIRLJFFHGZLO-OAQYLSRUSA-N 431.493 0.047 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835422956 QGOHSLZUZOIYER-JOCHJYFZSA-N 438.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835580217 SQOGBBBMBVVYHZ-HTAPYJJXSA-N 433.480 0.732 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1835682843 WRHQTOITLFUPDY-JVPBZIDWSA-N 430.908 0.649 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873123 WLXVAOSWBNRWPT-HRAATJIYSA-N 444.492 0.600 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)cc1 1837019247 PKJBHVBFFWONEV-HSZRJFAPSA-N 446.467 0.985 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116363 APQKXAPJCIPARM-INIZCTEOSA-N 442.476 0.097 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1837183859 MRHSGRPQKDGMQU-LJQANCHMSA-N 447.289 0.800 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837286067 BLPZWDLEWBXDAD-MGTIRVJESA-N 447.580 0.255 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C4\C(=O)Nc5ccccc54)CCO3)C2)CC1 1837323133 UXDJZXGMKAKQTR-LYQKSFCXSA-N 436.468 0.782 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(-c3ccncn3)noc1C)CCO2 1838494338 WZCYDCARVOLRKX-QFIPXVFZSA-N 439.472 0.923 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1838948979 IZOGRTKYJUAXCE-JOCHJYFZSA-N 444.557 0.677 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1838949746 RFSZICACOORDGH-MOPGFXCFSA-N 441.406 0.942 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047519 SOFCIBBRPAATJB-PZJWPPBQSA-N 447.561 0.683 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1839173891 RYLDIXKSBIBQTN-OAQYLSRUSA-N 437.468 0.744 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1839174818 YFKDXYSJSUWYCH-HSZRJFAPSA-N 445.516 0.980 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839175640 VGMXVNWEHKKHEW-NRFANRHFSA-N 430.461 0.466 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222709 WZRHXTWEULYVES-KVANESHQSA-N 436.509 0.102 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839223035 JPBRUSVQRZUECS-IERDGZPVSA-N 449.508 0.258 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451831 PPWAVQRQMFCEPX-JOCHJYFZSA-N 429.473 0.890 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1839810505 AFOTVWQGYOXCOF-NPFVIJTESA-N 433.505 0.476 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840173328 QLSHSSMHMFJOHP-JOCHJYFZSA-N 426.473 0.812 30 20 ICED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874326 VBBDIWRFAKYMAL-OWCLPIDISA-N 434.562 0.582 30 20 ICED CC1(C)NC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 10453105 RDWAVLXLUICNEW-UHFFFAOYSA-N 447.517 0.502 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 433452721 WRNRAEDPYFCIBL-INIZCTEOSA-N 427.548 0.791 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 438094716 OFQGVHZPZOAQOZ-UHFFFAOYSA-N 441.513 0.828 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 442258836 BEGCOZWKIUZFKV-UHFFFAOYSA-N 436.534 0.841 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 460601026 MKIFJEYXAUGVOL-HNNXBMFYSA-N 435.419 0.677 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 460613208 JTFPAMCWYBEBSH-UHFFFAOYSA-N 444.455 0.766 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 462100127 GGXHVWRQZNGTIJ-UHFFFAOYSA-N 429.506 1.526 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 464691427 YGSLLPLVQMRISZ-UHFFFAOYSA-N 433.413 0.802 30 20 ICED CC[C@H](C)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 467470069 WVVLZDRORYWMSB-JONQDZQNSA-N 438.496 0.521 30 20 ICED CC(C)CN(C(=O)CN1CCOC[C@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 471237612 DHNVFSHNFUZOTE-QGZVFWFLSA-N 440.504 0.793 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 489022278 WVUQXSLDVHMDKE-NVXWUHKLSA-N 442.541 0.804 30 20 ICED COC(=O)C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 494982231 WUSZXWAZXSPHOP-HNNXBMFYSA-N 443.460 0.719 30 20 ICED C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 500002226 RRRRHJINJLJLAW-AZUAARDMSA-N 448.589 0.935 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 500253113 NYTHYXSRTMOPRL-UHFFFAOYSA-N 446.483 0.758 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 513907587 NVIPMSGXMUZOML-UHFFFAOYSA-N 440.481 0.933 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 518550196 NOXQXQMUVDPTPI-UHFFFAOYSA-N 426.454 0.967 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 521907601 WTDMJUAEOMFZQN-UHFFFAOYSA-N 433.538 0.886 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O 524281819 BJZNOGNQDBUBHE-UHFFFAOYSA-N 447.582 0.886 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 527279830 CQZZPSBJSQNDKK-SNVBAGLBSA-N 437.930 0.609 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 533250339 ZPIBQPPAEALXCL-DOTOQJQBSA-N 432.525 0.366 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 553561776 MPNLQZQKGFEKPY-WFASDCNBSA-N 434.440 0.604 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 561703824 FWRIOFFFNDTYAB-SJLPKXTDSA-N 438.488 0.232 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 569128777 LVQRYAOTTBJBBI-MRXNPFEDSA-N 428.532 0.759 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2=O)cc1 582688284 WNCIHCPOLYQCPK-RTWAWAEBSA-N 432.480 0.894 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)CC1 587659194 JBPKSOWGEWOOKM-LJQANCHMSA-N 439.564 0.323 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 603781500 MMSSPKKCOMCDMO-UHFFFAOYSA-N 432.546 0.630 30 20 ICED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 606019068 KKDONWOTKJVHRI-UHFFFAOYSA-N 445.479 0.369 30 20 ICED COC(=O)[C@H](C)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 608864179 INRSXLCNDPTGRQ-MRXNPFEDSA-N 448.545 0.665 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 608890026 UPZGMVXFCVZGGZ-UHFFFAOYSA-N 427.486 0.284 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038130 FZDQZOMLSGQKQT-UHFFFAOYSA-N 436.541 0.556 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2C)c1=O 725762317 KUULJZNEFSBJCR-AWEZNQCLSA-N 433.505 0.658 30 20 ICED N#C[C@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 732910404 PLDJHLFOTFEMIV-LIXSYLKWSA-N 443.525 0.904 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 735580004 JKRHBDCGVTXWJO-DVSFIDLUSA-N 427.509 0.418 30 20 ICED CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 749692012 OVCORWFZRWYGAM-JRCVOMKHSA-N 449.533 0.563 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 755494204 TUSAVRRINZEFHB-AWEZNQCLSA-N 446.476 0.353 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1 756450243 BCPWMYPHYSEZHE-UHFFFAOYSA-N 429.458 0.993 30 20 ICED Cc1ccc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1C 756452523 SGOZQNUXUNFWRJ-UHFFFAOYSA-N 433.490 0.805 30 20 ICED COC[C@@H](Cn1cncn1)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 756614144 NVXXXRAWEJRXSY-QGZVFWFLSA-N 433.490 0.809 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 758075877 AXPXOJLHEBNENC-UHFFFAOYSA-N 433.411 0.322 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1=O 759237279 IRZVVWZZNVFKJS-UHFFFAOYSA-N 446.460 0.338 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)c1 762295087 JPBAQLRHOIJQHT-FUHWJXTLSA-N 430.486 0.624 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 765518147 XRYSRERIQPIDPG-FZMZJTMJSA-N 432.424 0.847 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647440 OEGPDOFHVLEEAU-UHFFFAOYSA-N 425.558 0.849 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770435693 SUODBKCMFMIHTO-FQEVSTJZSA-N 426.517 0.929 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N2CCCCC2)c(F)c1 771897016 AEYPXEFQBMIRLN-UHFFFAOYSA-N 437.497 0.916 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C(F)(F)F)c(=O)n1CCOC 771915080 RKRPSAJYLSERON-UHFFFAOYSA-N 429.395 0.963 30 20 ICED COC(=O)c1cn(CCOC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 774602282 UNUMBGMFXRLDPU-CQSZACIVSA-N 426.389 0.385 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 774769696 AKAJXEGLUUOAOL-FQEVSTJZSA-N 428.537 0.716 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c(C#N)cn(C)c3=O)cc2F)C[C@@H](C)O1 776283898 ZUAKCLQDHRKGQC-OKILXGFUSA-N 429.452 0.488 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)O)cc1C 777301289 JDPYSBNBMWUUSM-WNYOCNMUSA-N 437.518 0.683 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCOCC1 779349249 HRRUHXBNKZFFFK-HOCLYGCPSA-N 437.518 0.930 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 784924439 LAJAQUGXESLTQR-UHFFFAOYSA-N 447.513 0.530 30 20 ICED C[C@@H]1CC[C@@H](C)N1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785727770 JFVXMULSVYUULO-IAGOWNOFSA-N 448.545 0.807 30 20 ICED C[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCN(c2ccccc2)CC1 788017249 VUPWCGIOWPREGL-SFHVURJKSA-N 435.532 0.808 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)n1 804674183 OECWWKUTZBJPQU-GOSISDBHSA-N 426.473 0.620 30 20 ICED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808028992 OQJBXWPOGWOXLU-RDJZCZTQSA-N 428.493 0.585 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cscc2C(F)(F)F)c1=O 811727108 SGFYKDMQXOKBLR-UHFFFAOYSA-N 448.473 0.566 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 893777111 NBBHYGIYLHAXOX-CYBMUJFWSA-N 427.479 0.477 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 901416403 YVQNOFKMOOHUNO-AWEZNQCLSA-N 448.501 0.902 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCNS(C)(=O)=O)c1 916694218 SYJYRFHLKDGYTO-HMMYKYKNSA-N 431.540 0.560 30 20 ICED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916893789 HXJWQWCPQNSKMS-QGZVFWFLSA-N 432.502 0.578 30 20 ICED CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C(=O)C1=O 918608507 KDTQNITTXDPSIN-PGMHBOJBSA-N 435.506 0.129 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1359402123 OPKGDWIBHOMWQN-HXUWFJFHSA-N 441.511 0.901 30 20 ICED COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1504093529 KAEIIPIRUPMLFM-IRXDYDNUSA-N 429.477 0.939 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1546529694 YQULLWIKBBDHDY-HXUWFJFHSA-N 448.524 0.727 30 20 ICED N#CCSc1cccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1596757856 FKXNTODTCCIRHS-MRXNPFEDSA-N 443.572 0.577 30 20 ICED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711404618 NQZODJGLLFGFGC-SFHVURJKSA-N 437.504 0.986 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728804445 LYEWLXOPXAFGTJ-RTBURBONSA-N 440.570 1.000 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1741133850 URGYVGBXLKXMDS-CJNGLKHVSA-N 437.501 0.789 30 20 ICED CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1769586984 KYGNZFVZHGFKIR-OAHLLOKOSA-N 434.522 0.845 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778385745 BMFQTPSOTFHJHQ-IYZQMXKPSA-N 438.484 0.483 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778860959 ZLLSSFRBTHQJMP-HWEMAADUSA-N 434.537 0.686 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779101162 HZNIKNMVEBFSNO-ROMKBHBSSA-N 442.476 0.702 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1780176275 QZCRINQVXVMBOR-JOCHJYFZSA-N 437.456 0.879 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c(C#N)c1 1781174104 GVINIQUZCPYQDH-QHCPKHFHSA-N 435.484 0.972 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1781271163 BKEMSRCWOBXDCE-OAQYLSRUSA-N 434.445 0.756 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814458 UQTUBKHDGBWSJJ-LWOHLBADSA-N 429.429 0.959 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)O)C2 1783269208 KEHKCVHCRDSFNF-PEOGOYOCSA-N 437.537 0.798 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783901814 ZMEVFBCMTDWMRT-CKFHNAJUSA-N 431.555 0.410 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1784504376 BBNRKPOAXXDIGL-FYQPLNBISA-N 442.553 0.627 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)c1 1785077451 XINRTMQXDYWTMV-UVQUFPMPSA-N 439.472 0.355 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1786858438 WCGJQRVZKVQJLQ-ZVZYQTTQSA-N 439.520 0.833 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n(C)n1 1788656727 SAPHJLCAXIWYPC-FIZPHTSVSA-N 433.509 0.851 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c(Cl)c1 1790230052 XXEZQPHWBDROKQ-ZVZYQTTQSA-N 444.923 0.645 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)C[C@@H]21 1790790000 TUDSVUSCXXURSC-CAMMJAKZSA-N 433.530 0.275 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)c3)C[C@@H]21 1791078280 SIUSVDRRQXFIFP-IHPCNDPISA-N 441.484 0.205 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793067226 TVKMCBZQHIUGCB-NYUBLWNDSA-N 441.484 0.263 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1793362249 WPKKKKDZIFFFIM-CVYSASLGSA-N 429.517 0.986 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2cccc(C#N)c2)C3)CCC1=O 1793784308 IYJXNLGIUREXRI-OPMZPASUSA-N 437.500 0.689 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797607728 YJIVAOVPNWHNJV-JPULYRFTSA-N 435.521 0.988 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2C)C3)c1 1798578838 KCSOYJGUZPIOEB-WQDJSCAQSA-N 426.473 0.391 30 20 ICED 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)O)C2 1799322336 GYAGKISYVIQTQX-NQNKBUKLSA-N 425.526 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800030252 QOIPUOHPGVJDFG-LORHWOILSA-N 427.501 0.958 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CN(C)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103394 KPJXVKJISGUGLV-RDGPPVDQSA-N 448.564 0.703 30 20 ICED Cn1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cn1 1801420999 CWTOSUUSYQLDEG-CWPLJXCYSA-N 433.472 0.614 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802843872 FLRPUDPZSDLWPW-QTUASDBPSA-N 431.537 0.668 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814797493 GHZNONBDLOYHGU-UONOGXRCSA-N 449.464 0.375 30 20 ICED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819951585 FTBUXNRZHKPMTR-KFRDDWEOSA-N 432.506 0.360 30 20 ICED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)[C@H]1SC(=N)NC1=O 1822201178 XIUXGXGAEYIADZ-CCUNJIBTSA-N 432.462 0.292 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)C1 1829671760 FYLDGOMUXJSOIG-OAQYLSRUSA-N 429.452 0.905 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1829773517 LUSIGZGGBFLSKQ-NAMKQITDSA-N 431.489 0.527 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462688 GYLLNPSDWCRFQV-GAJHUEQPSA-N 442.516 0.472 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCO3)C2)CC1 1830907054 MZXNGRZXHQZPLS-OIBGTREISA-N 430.417 0.961 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1830953535 VHBMLNDUZAYPDN-DHNIJCFSSA-N 446.552 0.199 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1831396761 QREQKWMQNSGWFH-HXOBKFHXSA-N 438.484 0.738 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831446205 COOCNHMKPRGGHA-OAQYLSRUSA-N 447.513 0.534 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1832294225 WYSPQQYWDPVVTF-OXJNMPFZSA-N 426.514 0.112 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C\c1c[nH]c3ccccc13)CCO2 1832738333 PNBJIQMYRUHKLQ-UZQCKINESA-N 437.452 0.726 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 1834275402 HDDNJLFYGKHVAV-GOSISDBHSA-N 441.362 0.258 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834401781 OUTDFLADOYWZMS-JOCHJYFZSA-N 439.472 0.441 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc1 1835302789 JPQANQCPEKRILI-AUSIDOKSSA-N 440.500 0.226 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1835674994 TVLWKPWQWXCANA-HXUWFJFHSA-N 435.550 0.424 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315700 CHKRRONGQUWOQO-HLQTZPMBSA-N 433.484 0.762 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1837308960 FLWCORQYHNROKA-DYESRHJHSA-N 438.594 0.695 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1837401357 YOYXPKNDHPNSOP-GCJKJVERSA-N 434.537 0.599 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4Cl)CCO3)C2)C1 1838600423 WVJBGPMPBDILIP-OAQYLSRUSA-N 432.908 0.843 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1OC 1838841951 XHXWDYZBXNJESY-ORAYPTAESA-N 425.507 0.487 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1839889150 FKTAZQJAIWIFEG-RDTXWAMCSA-N 432.468 0.362 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]13CCN(C(=O)OC(C)(C)C)C3)CCO2 1840018387 IWIJBMNGDUELMH-RTFZILSDSA-N 447.532 0.723 30 20 ICED COc1cc(F)cc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044130 MVMPEGDSGBRZOM-UHQIAATHSA-N 446.431 0.392 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1840162140 NKSKKLGQSXNDAJ-ADLMAVQZSA-N 439.925 1.000 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840163621 LERYJSRCJVRGCG-YWZLYKJASA-N 437.566 0.107 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1840163799 OEUCTHAZPFKGMQ-LHSJRXKWSA-N 433.530 0.960 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384183 RDXADPMSFUIPDK-WIYYLYMNSA-N 435.525 0.921 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1840714974 NMZYZPMOACIPDU-OYHNWAKOSA-N 439.472 0.260 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840844166 HNRHYMSCGSMZPX-JOCHJYFZSA-N 429.521 0.202 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840909471 SXIJWHALLWUTMQ-HTAPYJJXSA-N 448.520 0.663 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847434967 PIHXMLNXALUHCY-CJGGRQNCSA-N 429.517 0.959 30 20 ICED CCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(CC)CCC#N)CC1 409493747 XMAACGQBGYNJJN-WKILWMFISA-N 434.588 0.438 30 20 ICED CC(=O)NCCN(Cc1ccc(Br)s1)c1c(C#N)c(=O)n(C)c(=O)n1C 409517380 AKSLHPSRQRBQEX-UHFFFAOYSA-N 440.323 0.922 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 442368447 WIPXSMAOVFZZEN-YJBOKZPZSA-N 448.545 0.949 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 444474571 IHWPXXQOAXOAJN-QZTJIDSGSA-N 435.502 0.484 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)n1 462936530 RDFPHILOPNJJOB-UHFFFAOYSA-N 429.456 1.135 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 485074026 QAIWOAUNFDYBBT-QRWLVFNGSA-N 437.518 0.838 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 489018726 GZFUQUUDHHCPIK-ZBFHGGJFSA-N 428.514 0.321 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 494196558 XRBIVHAMABFFCS-GOSISDBHSA-N 433.534 0.437 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1(C)C 496392325 BRPNWYOCOLJPID-FQEVSTJZSA-N 426.565 0.365 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Br 497765679 BEEHPWDGWMPQHY-UHFFFAOYSA-N 448.277 0.209 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 505890258 PUCBFISGHXPDBM-QGZVFWFLSA-N 432.550 0.728 30 20 ICED C=CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 512069379 XHJVHYDWQPYPFN-GFCCVEGCSA-N 446.507 0.246 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC(C)C 515165393 QPELBMPLCBZLPV-UHFFFAOYSA-N 431.514 0.841 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3ccccn3)c2=O)n1 531909479 LKLQBJJFDLQOBG-UHFFFAOYSA-N 435.509 0.590 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCc1ccccn1 532194486 FBZJBUUKJLJWDU-UHFFFAOYSA-N 426.523 0.867 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)s1 532419359 RZWUYOGWLFXVEL-UHFFFAOYSA-N 425.491 0.851 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 539452557 CNXIXIBWQCZZGI-RBUKOAKNSA-N 437.541 0.548 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 548617077 AZUCAKIMYRTBLX-GFCCVEGCSA-N 449.435 0.105 30 20 ICED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 562036181 QTYNHRHYIUZEHH-SSEXGKCCSA-N 431.474 0.482 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCn3cc(CO)nn3)n2)c(Cl)c1 564479298 OAGFMCALOXHIPH-UHFFFAOYSA-N 428.840 0.626 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 579987234 RXYPJDIQTQORON-CTNGQTDRSA-N 428.533 0.717 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581509995 ALRZEDBUBAXILH-IRXDYDNUSA-N 432.502 0.205 30 20 ICED CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H]1Oc1ccccc1 581694106 CRKOKZGGZUSSET-OTWHNJEPSA-N 440.504 0.996 30 20 ICED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585731306 FPCCBCATVIEFHS-UHFFFAOYSA-N 425.493 0.782 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2=O)cc1 588869837 OLUGLVMEFNAFBM-GBESFXJTSA-N 426.473 0.182 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)n1 589392575 TWNLUIKSMNKSFY-UHFFFAOYSA-N 449.393 0.995 30 20 ICED COc1cc([C@@H](C#N)NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc(OC)c1OC 609007281 KLXMVIDFSNMAOR-CYBMUJFWSA-N 441.444 0.596 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611431135 SKUWJRKKTDYBRX-RTBURBONSA-N 444.605 0.871 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1C 619538220 JTBFFKPNTDKPIY-UHFFFAOYSA-N 427.404 0.611 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 685550465 XDRPVECGNCYUCM-UHFFFAOYSA-N 436.542 0.155 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 728570651 JDKSVKKUGOISAX-UHFFFAOYSA-N 426.439 0.611 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)cc1 729251147 XTURMVPTJAUMPS-UHFFFAOYSA-N 446.460 0.595 30 20 ICED Cn1c(N)c(C(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(=O)n(C)c1=O 732398898 QBXYQODYSORHHP-UHFFFAOYSA-N 435.396 0.765 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 733201672 XKZUYOYIOGYJDD-AAEUAGOBSA-N 428.536 0.981 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCCC2=O)cc1 741344136 PKWVXUCMUZNPKE-QURGRASLSA-N 440.456 0.889 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(OCC(N)=O)cc3)nc2)CC1 745986822 GCDXEGKWYWSXHU-UHFFFAOYSA-N 432.506 0.328 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cn1 746363034 IJXFXEGXYPTBSV-UHFFFAOYSA-N 436.881 0.532 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 747796620 VDLKOTWLSDSCFT-OAQYLSRUSA-N 446.529 0.276 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1)c1ccccc1 749862415 QZWHHDLVQYQMEF-INIZCTEOSA-N 449.536 0.846 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 755542848 BEWSXFJMCLXYGH-GOEBONIOSA-N 444.492 0.732 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758060020 XAQIENRGXXEQOO-CYBMUJFWSA-N 447.463 0.799 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 758425869 HQHJEDHQLIQICK-IEBWSBKVSA-N 443.529 0.561 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 758645866 UDPYRBUHBHYGLO-OCCSQVGLSA-N 435.506 0.914 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 761033387 WAGSNWWUZMCXCU-UHFFFAOYSA-N 444.439 0.605 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 771568572 VYURQOIADVYJRC-HXUWFJFHSA-N 442.453 0.839 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)cc1 774449825 YDYZPXLQASFBIN-AWMROSOHSA-N 438.506 0.706 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 777860337 MMSZWXMOOHLHAX-DRBGZVQYSA-N 449.467 0.771 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Br)nn2C)c1=O 782576212 XIZKDLUYMIWOSB-UHFFFAOYSA-N 448.346 0.717 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782904435 BWAKIIAHWOAADV-LSDHHAIUSA-N 439.465 0.861 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 783304510 NLGDYEXIGJCACZ-UHFFFAOYSA-N 437.490 0.582 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1 783463901 JJCSQZAREUDIOA-UHFFFAOYSA-N 436.424 0.264 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)c1C#N 787115669 LSCFMOVZBGTPIE-SFHVURJKSA-N 443.552 0.008 30 20 ICED CN1CCN([C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)c2cccs2)CC1 787754181 LYWGDJDVLREHFX-KRWDZBQOSA-N 441.561 0.648 30 20 ICED CC1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 796421370 ZPHPMQYSLRPJGK-KXKDPZRNSA-N 425.532 0.752 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CSc2n[nH]c3nc(NCC)nc(=NCC)n23)C1=O 799026858 PIEPMMRMTMNSBN-LBPRGKRZSA-N 433.542 0.142 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(COCCOC)cc2)c1=O 808133649 HXGJCJUIVGGVEU-UHFFFAOYSA-N 439.537 0.735 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 808446740 LQAIUUPFTWYWSR-UHFFFAOYSA-N 437.499 0.184 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1ccccc1 917795003 PPTLCLSYJGQXSH-OAHLLOKOSA-N 437.525 0.518 30 20 ICED COc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1[C@]1(C)NC(=O)NC1=O 917879831 KIMPPOZQBXKUQQ-IBGZPJMESA-N 444.473 0.407 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920684641 RCNYMJDODFGKRE-BSDKJSHOSA-N 428.445 0.345 30 20 ICED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1122707721 NBJKKDVBYOTQHO-QLFBSQMISA-N 433.486 0.768 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1140750505 OGELZQNJSMTWCD-ZIAGYGMSSA-N 438.506 0.212 30 20 ICED N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1312008425 PDMIZTVMIFALEB-OAHLLOKOSA-N 441.579 0.940 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318476120 OTFPKMHYDIIGDK-MRXNPFEDSA-N 433.490 0.257 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCS(=O)(=O)C3)nnc12 1322595292 WRCPULOPRKQJQE-CYBMUJFWSA-N 447.542 0.873 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1503680613 XLTKTSRHMSBMCN-FXAWDEMLSA-N 430.534 0.507 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1518915026 JCAVZVSSNXGHFO-QFBILLFUSA-N 440.504 0.916 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC(N)=O)C(=O)C1 1637711116 UEDVFOPKGUAVRO-UHFFFAOYSA-N 439.266 0.254 30 20 ICED COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729982222 NHPPBMNTIVGFCK-HOCLYGCPSA-N 434.522 0.982 30 20 ICED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751811838 YGAQKQIDFCWKTM-KRWDZBQOSA-N 448.553 0.556 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1760607137 NCIBFPOBFAWXIO-UHFFFAOYSA-N 445.549 0.813 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976450 JIWIBHIOOXPGQL-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(F)cc23)C1 1779086016 IZOBJUWCTIZHAY-IIBYNOLFSA-N 428.420 0.918 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134461 GXUMXEWKBJAQHA-SRVLLJOSSA-N 425.507 0.209 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962637 YMFGRLHXCYHEMO-QHCPKHFHSA-N 437.500 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1781269170 CAPPHPXFKAXNCR-QHCPKHFHSA-N 441.484 0.883 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1781801309 BRPQSNKPMPPBCJ-YLJYHZDGSA-N 428.524 0.959 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CC1 1782810122 KOBPJXDESPMMHF-MZLICYQSSA-N 438.528 0.755 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)O)C2 1783269206 KEHKCVHCRDSFNF-MPWIWIEXSA-N 437.537 0.798 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783544475 NFPZTAFADCSIQR-PAODICLVSA-N 433.505 0.474 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)COCCOCCOCCOC)C3)C2)C1 1783679689 NILPEVVUVSQHJG-QFIPXVFZSA-N 440.537 0.479 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1785574391 IVKBRVRVIBMMAR-DMPWYTOCSA-N 448.520 0.012 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1785575698 BOFSFXDTLNFFIQ-HTAPYJJXSA-N 433.505 0.712 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1788606272 GQPKXLZGVMDWBF-USWCGAOUSA-N 426.521 0.941 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1792969833 QVDREFHFZGXWFP-CDKQOSPNSA-N 431.489 0.877 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276145 HXVQAINJFMIXLM-XAPVIXHLSA-N 442.468 0.123 30 20 ICED N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)c1cccnc1 1797741081 YWTMHTJDMGVAAU-RQQPZPJBSA-N 428.537 0.533 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797935677 MRMBYQKYCNNAJV-PDOICOKGSA-N 431.489 0.508 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806082278 ADHQUZGFKAQKCN-QEORTHHSSA-N 428.518 0.659 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807115799 KZVQWHSXFUQKSS-JENIJYKNSA-N 428.537 0.500 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1812329340 QVXAGBMOOLRYET-SUMDDJOVSA-N 431.562 0.610 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1812982730 QLBBTDWQKHRWJQ-GVDBMIGSSA-N 448.520 0.868 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)NS(=O)(=O)CC)n[nH]1 1815163665 GCVBAJKWDWAGJW-SQWLQELKSA-N 439.538 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1823743250 AACBMAVVNYCXGS-JCMVTEASSA-N 430.549 0.991 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)C1 1829671359 ZAGNVYGQFHUYHQ-BOCKYXSRSA-N 431.533 0.810 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829859251 CFTRFYHYECIVKK-SIKLNZKXSA-N 428.489 0.543 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1829895572 ACHFPSZBBIWOSN-CVDCTZTESA-N 440.500 0.083 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1830049804 DOLZJJBIXSEUAE-QFIPXVFZSA-N 425.489 0.883 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830639084 LWRXDWLZHZHCPY-HSZRJFAPSA-N 435.565 0.934 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1C(F)(F)F 1831215395 KMDJVMPNRJEUOT-LJQANCHMSA-N 440.422 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 1831403146 XVYYTQNMAISUJM-UZUQRXQVSA-N 448.491 0.872 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831498790 QFBPQQFQYDZXSI-QUCCMNQESA-N 427.567 0.410 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666159 VNCJVRRIBLGOBS-HOCLYGCPSA-N 427.523 0.022 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnco2)CCO3)c1 1831932484 XZPNLEUIFGJVEG-OAQYLSRUSA-N 426.429 0.939 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCN2C)CCO3)c1 1832064929 JVUQADULYZZAEW-NZQKXSOJSA-N 442.516 0.731 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881614 NTEYMCHXNCBKTF-QHCPKHFHSA-N 444.532 0.785 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833168620 CRAZYOQEMIVRJC-JOCHJYFZSA-N 439.447 0.800 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833169352 OJSDGZRYARAVCQ-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833450367 FDMQNHDGEQUXLI-HTAPYJJXSA-N 432.521 0.746 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1833471399 XMLJVUNMZSDJJM-UHFFFAOYSA-N 436.553 0.993 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834588014 CWYIXVZTICALMB-NRFANRHFSA-N 433.461 0.367 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767731 QWNQNQHWVNKISH-SIKLNZKXSA-N 446.479 0.243 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)cc1 1835410963 ZUDJVDHEMLEVDC-JOCHJYFZSA-N 426.473 0.251 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994257 WIFNHKNUEWCRDI-JOCHJYFZSA-N 433.505 0.288 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041831 AJLMQHXVIRFQRB-OKFCBPFISA-N 435.550 0.614 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837010977 MNLWCUJWJVCYOM-XLIONFOSSA-N 433.534 0.754 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837273360 UTUCLAYOHWXHBP-IIBYNOLFSA-N 432.525 0.544 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1837400732 MWOYZFBMIGLAOZ-JTSKRJEESA-N 448.520 0.518 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486796 QGDALQXTVLUNJP-RDPSFJRHSA-N 447.576 0.626 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837525385 VMLWVRNUXYTQSM-CRESJJQNSA-N 432.477 0.681 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837562445 KVLAQFXLZCTZHK-XUHCNCODSA-N 444.463 0.932 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccccc1 1837616025 SQIJXIZKNFMYSM-GBXCKJPGSA-N 441.528 0.906 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C(F)F)n3)CCO2)C1 1838704065 VYOZXGGJZXDZLL-YWZLYKJASA-N 440.447 0.695 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)c1 1838735993 DJQDMRVJZCRLHZ-IBGZPJMESA-N 432.868 0.506 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1838950330 JWGUXCVBYJRKRT-HSZRJFAPSA-N 449.467 0.436 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)cc1 1838950331 JWGUXCVBYJRKRT-QHCPKHFHSA-N 449.467 0.436 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222583 SHCMTJGUMSBDLC-FZKQIMNGSA-N 440.526 0.451 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)c1 1839419787 VDFRGOBSCZCCOG-IBGZPJMESA-N 431.449 0.933 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5c4NC(=O)C5)CCO3)C2)CCC1 1839574644 VITRBMJGNQAPJB-HSZRJFAPSA-N 438.484 0.945 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818774 WRZODQRUDJPVKQ-VGSWGCGISA-N 431.489 0.676 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840885526 MWAGKMGXUZWVRL-HRAATJIYSA-N 441.525 0.833 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179199 QTDWJXYFOBXKSY-SJORKVTESA-N 436.490 0.993 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NCCC#N)c1 427865435 OMLAOSQEKWHJPR-UHFFFAOYSA-N 437.522 0.522 30 20 ICED Cc1cc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)nn1CCC#N 437353561 DJCXMNWHCLYDFK-UHFFFAOYSA-N 433.266 1.561 30 20 ICED CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)s1 444518276 IEBDXEJOVVITGP-UHFFFAOYSA-N 431.478 0.717 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)c1C#N 472196350 RDQBEQKLMFMNLI-UHFFFAOYSA-N 429.506 0.302 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 478859439 SBIWUQUVWXXWHV-HZPDHXFCSA-N 425.510 0.840 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 504993074 ZZFJXHFGKZXXIK-UHFFFAOYSA-N 429.498 0.357 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 505614972 ZRBOCPBONARYRL-UHFFFAOYSA-N 434.478 0.557 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 512363974 XRQAXUPRKNNLRJ-ROUUACIJSA-N 431.518 0.728 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 514335900 ICTJJIQDASLTDX-SFHVURJKSA-N 425.470 0.788 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 515437968 UZFPDFUGVFKNML-GOSISDBHSA-N 435.956 0.505 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccs3)c2=O)cn1 522390109 ZFQMUVGVEDZLJT-UHFFFAOYSA-N 441.538 0.539 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1C#N 535502036 BQCNTWLIIFJFHB-IBGZPJMESA-N 435.488 0.848 30 20 ICED N#Cc1ccncc1N1CCN(CC(O)CN2CCN(c3cnccc3C#N)CC2)CC1 562379317 CTBAHWDWXNQMEI-UHFFFAOYSA-N 432.532 0.525 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCNC(=O)[C@@H]3Cc3ccccc3)CC2)o1 567294920 KBBTZPWLYNUYGC-FQEVSTJZSA-N 436.516 0.937 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 584188964 DRPMFJZODISPTG-DOTOQJQBSA-N 429.564 0.989 30 20 ICED C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860467 GWRUDBDKFVRBOJ-OAHLLOKOSA-N 429.496 0.905 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587665595 QFEWCSLGWQWNCB-MRXNPFEDSA-N 428.537 0.342 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 588128061 YBINESJBNOFHCP-UHFFFAOYSA-N 431.500 0.859 30 20 ICED CN(CC(=O)NCC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(C#N)cc1 608809167 WDUIITWFXGWIFK-UHFFFAOYSA-N 426.498 0.880 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2F)c1=O 609351250 YHANICVEIRDLRF-UHFFFAOYSA-N 432.452 0.058 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOCC 610245098 QMEDGCGZPAAXGU-UHFFFAOYSA-N 440.525 0.856 30 20 ICED COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC1CCN(CC#N)CC1 611601943 GQHSULHZPLXWSC-UHFFFAOYSA-N 429.477 0.352 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1Cl 730407638 NECCMKYTBDKWOY-VXGBXAGGSA-N 445.906 0.052 30 20 ICED N#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 731238322 WRQORJPPDGIJKO-UHFFFAOYSA-N 431.426 0.690 30 20 ICED COCCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cc2S1(=O)=O 731623206 UPDACEAZZZQBJF-KRWDZBQOSA-N 434.518 0.783 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cn1 732563209 UEPBVEAIDYOYDB-UHFFFAOYSA-N 426.546 0.175 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1 733150284 GQKOFERNQFALKD-GOSISDBHSA-N 426.517 0.722 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCO2 735224301 AFZCUIQYKDQWMV-AWEZNQCLSA-N 442.457 0.912 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742520709 CLDIDLJRBVJQFV-HOTGVXAUSA-N 449.577 0.563 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)N[C@](C)(CC)C2=O)c1 749503568 CFSPAPDXFOQEEY-JOCHJYFZSA-N 426.473 0.580 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nc3cc(S(=O)(=O)CC)ccc3o2)CC1 761032131 YRNYUQLSMHSNMI-UHFFFAOYSA-N 426.520 0.207 30 20 ICED Cc1noc(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 769971393 HVRKXGQCKCROPB-UHFFFAOYSA-N 447.473 0.259 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 781211076 NQMXZVILEDQJLQ-LBPRGKRZSA-N 444.448 0.987 30 20 ICED CCc1c(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 781593801 LJHFKXNNYGPMPL-UHFFFAOYSA-N 445.432 0.324 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CCC 782586425 MCVHYKXSCFWUIA-UHFFFAOYSA-N 436.335 0.621 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccncc2N)CC1 783179839 OFKUDWOTPFUBMF-UHFFFAOYSA-N 429.458 0.225 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 783347217 HRVSSZWSLKJDOQ-UHFFFAOYSA-N 439.559 0.460 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 784699810 XJNXKDJFBCJNRB-AWEZNQCLSA-N 444.448 0.865 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 791396742 UNBZQNVOTKABLE-UHFFFAOYSA-N 428.470 0.408 30 20 ICED Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1-c1nc[nH]n1 798281525 PGZKQXYRZHDPBL-ZVHZXABRSA-N 429.466 0.759 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[S@](=O)Cc3ccccc3)CC2)nc1 805408567 YVMSKTVEOAROAW-PMERELPUSA-N 425.514 0.667 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(Cl)cc1F 807328017 GAKKCJRYFQBGCE-MRXNPFEDSA-N 435.843 0.867 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)n1 807834701 NWQKHVPJDDDJOA-MRXNPFEDSA-N 433.509 0.474 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@]3(c4ccccc4)CNC(=O)C3)CC2)o1 811237426 BATUBMDSKXUIAE-QFIPXVFZSA-N 437.456 0.504 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 812278976 QJWATFHLZYXXII-CYBMUJFWSA-N 429.473 0.345 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250716 XQWLYFSEJFVSLG-UHFFFAOYSA-N 439.488 0.437 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 849070121 DMWNJBCHWBDVLW-GOSISDBHSA-N 439.582 0.141 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)N2CCCC2)CC1 900716062 KZLRBMAJOZINDA-UHFFFAOYSA-N 433.534 0.865 30 20 ICED Cc1nc(SCC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C#N)c(C)c1C 918993380 AOFXQLJKKOOZGM-UHFFFAOYSA-N 442.563 0.912 30 20 ICED C[C@@H](CC(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1139042809 WNTUURUVBLWXAV-LBPRGKRZSA-N 431.522 0.451 30 20 ICED Cn1ccnc1[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1251490217 QWLJZKMBYIHXCO-HNNXBMFYSA-N 429.387 0.921 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1=O 1316128609 JLZBLLMPJYKTGB-UHFFFAOYSA-N 449.519 0.873 30 20 ICED CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)C1CC1 1316346183 ZAEIKVYMVCNJFX-FQEVSTJZSA-N 431.518 0.982 30 20 ICED N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)C1 1555985770 WDGOFRBQWUCEME-GOSISDBHSA-N 446.397 0.744 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)CCO1 1620356062 RIQHSTQHQAHHOV-CQSZACIVSA-N 430.419 0.627 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1712704720 PTHYPULHOQWUQJ-QGZVFWFLSA-N 448.574 0.809 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(C)(=O)=O 1727226319 ZUVNNCMQUQJIAB-MRXNPFEDSA-N 437.570 0.418 30 20 ICED Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1751345793 QAQNLXBBTBROQC-QWHCGFSZSA-N 425.540 0.625 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1770685846 POORZKJJFCYHRX-UHFFFAOYSA-N 435.492 0.725 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1779362424 JPNBFYXLOLUGAJ-QOEHIXHZSA-N 447.496 0.917 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1781696527 GQPZOKICQHWBKM-NPFVIJTESA-N 435.521 0.505 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1782196303 ZGTHCNRSECGUCM-JOCHJYFZSA-N 433.472 0.854 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(O)n1 1783169273 BXRAPUZZMHLZFI-OYHNWAKOSA-N 430.505 0.874 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783222682 JLHSWPCTXUCCDP-MAOUNKGHSA-N 444.440 0.419 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565160 PNRVQRAYDXUEQW-VXKWHMMOSA-N 449.504 0.551 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1784518690 BERBWNCHXBOBAI-FCLVOEFKSA-N 433.530 0.832 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1785574232 CBMSJYHXTFTWHE-PNLZDCPESA-N 436.553 0.731 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n(C)n1 1788655447 GRLNLAISDVTLAL-PPYUBFJKSA-N 449.508 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CC)nn3C)[C@H]2C1 1788941590 ZQWBMGIYMJFOEW-SZWKITOBSA-N 429.521 0.434 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)ccc1F 1789908231 ODMDCEPXHGWSDW-QRFRQXIXSA-N 440.479 0.901 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)c1 1790268939 HHCLSHUUHJGCGH-DKIMLUQUSA-N 439.472 0.058 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911236 XUQZBXXSECELIX-FHWLQOOXSA-N 425.570 0.245 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)Cc3ccccc3)[C@H]2C1 1790952587 HPHMIYQBRIMUKR-VDYRWSSGSA-N 441.528 0.428 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146466 UVSJOLLCIZNNMQ-QTWZMDIBSA-N 442.516 0.784 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1OC)C2 1792490602 FQVKPDSMRLWTSA-HJZKZARXSA-N 445.491 0.825 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793943685 YJJQRPJLQARHJX-YYAJDYIMSA-N 448.596 0.225 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)C3)c1 1798694130 FDEYPJGUJCYXOY-ISIBIEBGSA-N 425.489 0.491 30 20 ICED Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)n1 1799325917 YZLXPPWXGUIEFX-FAQVEIGNSA-N 425.464 0.806 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799839350 VTSSWWACGVCSLS-MXASKKJJSA-N 430.530 0.568 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)c3ccco3)C4)c2c1 1799882920 VLGHIOAHLPPVNC-VLBMKZOESA-N 435.440 0.964 30 20 ICED 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]1[C@H]2COC[C@H]21 1801600786 BJAIZXFIRUEUND-HZFWPQPFSA-N 449.548 0.938 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)c1 1801979130 GLHHAOXZGNCNLP-ALXJQNPVSA-N 431.514 0.987 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C2 1802025133 KXTDAHMIWSXQNJ-TWWGPRNNSA-N 429.492 0.876 30 20 ICED C#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)C1CC1)C2 1802124670 GWIADDWATJNKHL-YYIAUSFCSA-N 433.505 0.472 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1803553512 UESATWNLJMQMFT-ITKSXJDCSA-N 431.489 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](CC)NC(N)=O)[C@@H]1c1cccnc1 1808223454 OMGHWYGQTLWUGN-HENWJRPYSA-N 442.520 0.393 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810348525 LYOLYWHLSXFBLS-UNWVZKJWSA-N 446.548 0.721 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#Cc1ccccc1)CC2 1814801988 NCFAOZHJMDDODO-GJZGRUSLSA-N 425.514 0.700 30 20 ICED CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)C(=O)O 1817369015 SHQUWAQWEYSGKU-NZZJIVAASA-N 433.513 0.936 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818794859 YIZPAUQZWMIHHO-IDTUSYRASA-N 446.577 0.161 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819366349 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O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491104 GIOLHZMASWRRRZ-OFNKIYASSA-N 426.469 0.696 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1832999474 QKNWALJWEDBTGL-FDDCHVKYSA-N 445.516 0.518 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1833234383 CBYFOABAUMEODN-HXUWFJFHSA-N 444.879 0.724 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1833865191 SQIPWRZQOGNOBO-FOIQADDNSA-N 437.497 0.300 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)co1 1834210189 MNTMYXMYYYBDEV-JAQBMENVSA-N 436.465 0.582 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834588015 CWYIXVZTICALMB-OAQYLSRUSA-N 433.461 0.367 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835352338 UODGHXYGUSJVLN-FQEVSTJZSA-N 435.502 0.464 30 20 ICED Nc1nc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2s1 1835787950 JQLSWCJUTLPHNC-HXUWFJFHSA-N 444.469 0.037 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836240184 AKLXAHVAMHMXFH-BFUOFWGJSA-N 427.404 0.721 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nc[nH]c34)CCO2)C1 1836420427 KSSPTYBTPFEMRC-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CCN4C)CCO2)C1 1836570090 PEQJWVZTEYQZSC-HOYKHHGWSA-N 441.528 0.787 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253644 NOIUSRVNTWVUIQ-SFFCAUCYSA-N 427.448 0.489 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1837398771 IGWMSELPCKIJDO-GCJKJVERSA-N 434.537 0.626 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccco1 1837525275 SZSCCMZDKSGSDE-QDLBXXMRSA-N 449.460 0.448 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560865 YAMZUPZPDNJQMO-SMZVVKKCSA-N 448.505 0.362 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838331765 NFYLUYHOGDPBLU-HSZRJFAPSA-N 436.468 0.504 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)nn1C 1838949429 CAFMTOLXSTVFJE-QHCPKHFHSA-N 437.500 0.913 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cccc1=O 1838950173 GODSTITUTBDFLH-QHCPKHFHSA-N 436.468 0.641 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3C)C2)C1 1839173332 KNHZGRDNNCYMIC-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486010 ICLJGCUXZPOGCH-UTKZUKDTSA-N 427.461 0.275 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062820 XXXLNCYBTIETQB-HOGCTVLVSA-N 428.445 0.569 30 20 ICED COC(=O)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)Cc1ccccc1 1840083123 IHOAKOPALCSFFX-QFIPXVFZSA-N 444.488 0.625 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271148 CTMJQHMWWLCFRA-IKVWTGGYSA-N 425.526 0.795 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CSCC(=O)O)C2 1847071548 VFEMRXYVXYHLPD-AWEZNQCLSA-N 439.534 0.924 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 26191003 JDDRSDFAFRLHQS-FGTMMUONSA-N 441.598 0.689 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 304747602 GNVWZXVBKZAJRN-HNNXBMFYSA-N 433.575 0.342 30 20 ICED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 439203822 IVIPMMRYKSSSIJ-LJQANCHMSA-N 438.536 0.952 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 439941741 YTRSSNLGGRBGEL-IDAWXYBZSA-N 449.485 0.177 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460946006 CMQVTSUFEPZBKO-JKSUJKDBSA-N 439.586 0.207 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCN(c2ncccn2)CC1 462089719 BLPSAUAOVXTUMZ-UHFFFAOYSA-N 446.519 1.571 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 464849128 DLLGSACXXOGLEP-ZDUSSCGKSA-N 429.431 0.892 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4cccc(O)c4)CC3)CC2)o1 471168751 LAQIMIYRMDTKPV-UHFFFAOYSA-N 438.488 0.667 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)n1 471823893 QUNOGZVFXLVGNQ-IBGZPJMESA-N 438.532 0.771 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)cn2)c1=O 474360207 YGKGSCVLUXGSFZ-UHFFFAOYSA-N 425.558 0.690 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c1=O)OCO2 478863685 YISQSIOAQAMVQH-GFCCVEGCSA-N 428.466 0.683 30 20 ICED Cc1nsc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c1C#N 484953910 DAYGIZWBFYLWCH-SFHVURJKSA-N 446.577 0.685 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2)c1=O 488151104 WSVVOYSITBLVBB-UHFFFAOYSA-N 431.539 0.080 30 20 ICED COCCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488259553 DYKLYVNAAIPCCJ-RBUKOAKNSA-N 448.545 0.894 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2=O)cc1 488634274 XMPOJRDDOLRRFX-SFHVURJKSA-N 435.440 0.278 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)cnn3C)c2=O)cn1 505683805 LGGOHGILMQMJDK-UHFFFAOYSA-N 425.518 0.185 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2(OCCO)CCOCC2)c1C 506719263 VNHTXUSAFIKRQK-UHFFFAOYSA-N 441.488 0.974 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C 508425493 JGSGKWBYHCGQHD-GFCCVEGCSA-N 446.493 0.872 30 20 ICED Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)N2CCO[C@H](C#N)C2)c1 512190747 AQNZRNCUUBBNNT-GFCCVEGCSA-N 431.312 0.970 30 20 ICED Cn1cnc2c1c(=O)n(CCCN1C[C@@H](C#N)[C@@]3(C1)C(=O)Nc1ccccc13)c(=O)n2C 513979361 BNAHJVOQLOAZQG-JLCFBVMHSA-N 433.472 0.169 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 514931371 MMXKVTGSGOPPEG-UHFFFAOYSA-N 441.513 0.619 30 20 ICED C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)NC(=O)NC1=O 519591076 JMLZKMFXTABVKS-LIRRHRJNSA-N 433.490 0.471 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)C1=O 521260877 MJAVTSVSWBQOSM-IRXDYDNUSA-N 432.521 0.668 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1=O 524010143 NFMBURWNFIUGCQ-CQSZACIVSA-N 431.468 0.732 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1Cc1ccon1 531684070 JOZGIXLZMUYIQN-UHFFFAOYSA-N 432.408 0.797 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CC1 539166493 ADHYVQCKRMOEPQ-UHFFFAOYSA-N 441.532 0.761 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 541418397 SKFXARWBMPSBNW-SFHVURJKSA-N 443.504 0.287 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 546095800 CSXWPAGAGMIIRB-UHFFFAOYSA-N 440.460 0.783 30 20 ICED Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 546904233 YCEYGONCWQGSIY-UHFFFAOYSA-N 430.446 0.780 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)C1=O 562834185 LWXALMHVUCWDAR-OAQYLSRUSA-N 441.576 0.686 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 566729402 LGWUIRXLGOTSQB-UHFFFAOYSA-N 429.428 1.089 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C 566873631 UIVGWYFZEBYHSR-UHFFFAOYSA-N 446.515 0.871 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 574457355 NGBMYDDMVACHKK-RBUKOAKNSA-N 440.610 0.828 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1 585761931 GZLXNTAWTYTKHW-UHFFFAOYSA-N 435.400 0.879 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1C1CC1 590998750 UHYCAFRDVZDYBX-UHFFFAOYSA-N 425.466 0.787 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604537027 GPJIWMYDJQRWOZ-UHFFFAOYSA-N 436.582 0.209 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608889730 WTPSZNJEXOKWTM-UHFFFAOYSA-N 445.501 0.816 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610696929 VWHLWTYAGAVZRB-HNNXBMFYSA-N 435.554 0.820 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1=O 623215383 KAHDRAZMGKSVIL-UHFFFAOYSA-N 444.757 0.995 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)C1=O 623501148 VFKRFFPJWGIOJW-UHFFFAOYSA-N 442.472 0.322 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)CC1 728608633 LOIKOYSMCXXHSD-UHFFFAOYSA-N 432.937 0.781 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742542970 BOWPMGSWILDQPO-CYBMUJFWSA-N 442.563 0.434 30 20 ICED COC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 743929359 RNMIEAOLAFUFDE-OVFHLDOESA-N 438.506 0.312 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NC3CCCCC3)CC2)c1=O 748085203 YOJQPUYQZISJHR-UHFFFAOYSA-N 431.537 0.662 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C(C)C)s2)c1=O 758066787 CNMURFRSRLSQFV-UHFFFAOYSA-N 428.539 0.485 30 20 ICED N#Cc1ccc([C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C(N)=O)cc1 758093619 XCKPBMKSZAXPKG-JKSUJKDBSA-N 437.861 0.621 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 758567417 CVOSSXYBJWERBQ-JSGCOSHPSA-N 442.498 0.152 30 20 ICED CC(C)N1CCN(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 761039282 VTADWGFFBXJLCJ-UHFFFAOYSA-N 433.578 0.742 30 20 ICED C#CCNS(=O)(=O)c1cccc(-c2nc(CCN(C(C)C)S(C)(=O)=O)no2)c1 761771934 PUSOJIVRZBVBIS-UHFFFAOYSA-N 426.520 0.861 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc[nH]n1 770829981 GIPAXZKLLZGTTF-LJQANCHMSA-N 428.405 0.387 30 20 ICED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)c(=O)n(C)c1=O 771897637 ITXZCLPRXCKZEM-UHFFFAOYSA-N 432.245 0.026 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 772929775 FNNBIKYAKBROBG-IWEFOYFVSA-N 445.925 0.965 30 20 ICED O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 777911528 KPXONSGCKNIILM-LLVKDONJSA-N 432.424 0.642 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H]1CCCOC1 780609529 LYRKSTTWPWGDDV-ZFWWWQNUSA-N 443.547 0.909 30 20 ICED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)c1 782961961 LMYWAXBMOQDKJM-HNNXBMFYSA-N 442.505 0.969 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCN1Cc1ccccc1 787111108 XZNGTKJFAFYRIV-FCHUYYIVSA-N 439.560 0.983 30 20 ICED C#CCn1cc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cn1 788212706 SNAXSDWVXVXVOO-UHFFFAOYSA-N 431.518 0.593 30 20 ICED COC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 790910913 VBRFJUXQTHMRMR-INIZCTEOSA-N 436.534 0.457 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1=O 798593141 AVGRWDDUPCGPTK-KBPBESRZSA-N 440.474 0.940 30 20 ICED COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c1 798857953 ZGKLJLTYOHTPBX-QMMMGPOBSA-N 442.251 0.765 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)[C@H]1CCS(=O)(=O)C1 799261310 XHYOEXJXIIDDHJ-MAUKXSAKSA-N 447.513 0.192 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCC(O)(c4cccnc4)CC3)CC2)nc1 809327920 OWLFIBFIQYBANU-UHFFFAOYSA-N 434.500 0.943 30 20 ICED C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C 813774805 MVENSJPGINHUPI-RHSMWYFYSA-N 437.518 0.534 30 20 ICED CCc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C)c3)c2=O)cc1 839250721 KBUHILFPGDTGTI-UHFFFAOYSA-N 437.525 0.461 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1253950511 SPWXTDQZQOFOFD-VXPUYCOJSA-N 447.517 0.623 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1291613235 SXKZGDMRWYAGCM-AWEZNQCLSA-N 442.451 0.521 30 20 ICED CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)NC 1293097629 QTOVWFUYAUADAE-UHFFFAOYSA-N 434.526 0.453 30 20 ICED CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1299565628 WNWQYHPVAHFMLG-LSDHHAIUSA-N 426.543 0.776 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCN2CCOC2=O)cc1 1302994702 RNBIAPIFRSMJSI-UHFFFAOYSA-N 425.449 0.507 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1303947746 WHBPBODCKHDYTE-YWZLYKJASA-N 428.518 0.953 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1313991502 SMULVAXSXNHSJT-LJQANCHMSA-N 439.520 0.490 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1318156580 KPDCBGXEYDDRBE-LXZKKBNFSA-N 433.486 0.488 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1 1325077867 UJVYROBLHXUGHI-IBGZPJMESA-N 440.504 0.833 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1517629281 VQXXIXITWCJXRI-MRXNPFEDSA-N 429.506 0.177 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)F)cc1 1712880658 ODSXRMNBZRLYNY-CQSZACIVSA-N 447.446 0.812 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1742670079 UXEJLAQTEVOZKI-INIZCTEOSA-N 432.554 0.652 30 20 ICED COc1ccc(F)cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1748844204 XKYPNYLCMCHOHQ-WFASDCNBSA-N 438.485 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778163001 YQNGUCZVQWGGRE-UZUQRXQVSA-N 440.500 0.208 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778955049 RIUWIFNEUDKTCX-HTAPYJJXSA-N 434.537 0.223 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779063555 WLAAOBIYMZXAAZ-FQEVSTJZSA-N 431.449 0.460 30 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ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncon2)CCO3)c1 1838319970 YNUJLBOOXANZSY-HXUWFJFHSA-N 427.417 0.334 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423250 KRHAFKXXGBACRU-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(Br)CC3)CCO2)C1 1839207126 KMISVAFLKCHMCE-KBXCAEBGSA-N 445.354 0.943 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839354983 FBTBDIKABQPNNR-QVKFZJNVSA-N 449.435 0.842 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccccc1 1839864533 ZVLAYRDDJFBTLL-YKSBVNFPSA-N 441.528 0.906 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839889131 DOKTXMQYOJNSTJ-GOSISDBHSA-N 426.420 0.767 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1840909064 LXEIGDORUVJSLB-XOBRGWDASA-N 445.463 0.625 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)COCCO)C2)C(C)(C)S 1846302056 XTVOQTGDBYTBAQ-OAHLLOKOSA-N 445.582 0.800 30 20 ICED C=CC[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 1847940535 SNCHVZUJXATEEF-AJNGGQMLSA-N 449.508 0.256 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 409504781 WJRGKPGEMVQSBL-UHFFFAOYSA-N 439.498 0.218 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C 409953132 SCQZZQGLOAGFLJ-UHFFFAOYSA-N 441.509 0.421 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CCN1S(=O)(=O)c1cccnc1C#N 428252992 NPZPRCRVEBHBHG-CYBMUJFWSA-N 432.487 0.304 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 430398683 YNJWDCQRHMXKQH-OXJNMPFZSA-N 433.480 0.973 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)nc1 441927212 CHZXGJFZMYORFD-MRXNPFEDSA-N 440.525 0.012 30 20 ICED C=CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCS(=O)(=O)CC3)no2)cc1 445541379 SLAPPYJVYBDGQD-UHFFFAOYSA-N 440.503 0.000 30 20 ICED Cc1nn(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 448483205 IAZTZKCKRBABSZ-UHFFFAOYSA-N 430.490 0.380 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 448495381 KHBFWGFTADMQRK-UHFFFAOYSA-N 434.435 1.269 30 20 ICED CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c([N+](=O)[O-])c1 463340576 QVMHLPCLOQDWIV-UHFFFAOYSA-N 428.492 0.754 30 20 ICED N#Cc1ccnc(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)c1 468699110 RQOGEQWXGXHEPX-UHFFFAOYSA-N 426.502 0.545 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 469106928 TWOUNLCUYIJKHY-GOEBONIOSA-N 440.547 0.252 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C#N 472296321 PPOITTRINFRVAU-HNNXBMFYSA-N 441.517 0.487 30 20 ICED COc1ncc(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473263177 NPZYLMGUGBWRTH-UHFFFAOYSA-N 443.485 0.742 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)cn1 475627058 XACAZMYYBSFIPC-UHFFFAOYSA-N 449.418 0.611 30 20 ICED COC(=O)[C@H]1C[C@@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 481513839 YETGDIRACPZPJL-FUHWJXTLSA-N 448.545 0.665 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)cc1 485074025 QAIWOAUNFDYBBT-MGPUTAFESA-N 437.518 0.838 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1cccc(O)c1 487338623 XDBBCRNZEWROLU-AWEZNQCLSA-N 430.486 0.867 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3cscn3)c2=O)CC1 489022124 WAJBESOIGDYZAR-CYBMUJFWSA-N 430.555 0.742 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 498082694 SWSYIJNFCAOVFO-DNVCBOLYSA-N 436.940 0.979 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCN(S(=O)(=O)N(CC)CCC#N)C1 499758116 PTKONPSKAIDPJJ-INIZCTEOSA-N 434.588 0.249 30 20 ICED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 503321909 GUBPQKMHEVYVIB-QGZVFWFLSA-N 439.559 0.995 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1 509412643 AXMHJZONZNBOIY-CQSZACIVSA-N 446.551 0.489 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2OC)c1=O 512746642 LQXPTOFKUZJNHD-UHFFFAOYSA-N 435.509 0.906 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 517581554 RWPHKIZLMNPXKW-UHFFFAOYSA-N 438.550 0.688 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 518069766 VJUKZIHDWWZUFF-UHFFFAOYSA-N 425.493 0.347 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 527030417 JWEAIQXBQYDEMZ-CYBMUJFWSA-N 429.473 0.341 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)CC)CC2)cc1 543603814 XADWNCOGPWRSMM-UHFFFAOYSA-N 429.564 0.942 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2CC(N)=O)cc1 547315885 MPBIUUDATSDOCV-UHFFFAOYSA-N 448.460 0.998 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 549550985 OBRCCZOBFQKCCL-MRXNPFEDSA-N 442.541 0.828 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 555033719 XMIRXGFNXMAFLG-QGZVFWFLSA-N 442.545 0.558 30 20 ICED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555272587 PWOZMYBMVYHKGH-CQSZACIVSA-N 426.477 0.685 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 561706377 FBKRXEJRJNECHV-LJQANCHMSA-N 432.484 0.519 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 571815260 BFUNABMSLOZVNJ-CTNGQTDRSA-N 442.541 0.836 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 576072531 MDFHSLWRDRKHIS-ROUUACIJSA-N 437.504 0.092 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 577737189 OBFLVBNJNUDAMU-GFCCVEGCSA-N 434.396 0.936 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NCc2ccccc2)c1 578265831 HJNASVWWUXXHHL-UHFFFAOYSA-N 436.515 0.072 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 590216073 AQDVAIWANILVCW-UHFFFAOYSA-N 429.296 0.799 30 20 ICED CN(CC(=O)NCCCn1nc2n(c1=O)CCCC2)S(=O)(=O)c1ccc(C#N)cc1 603921698 IELOATMBZVLEGT-UHFFFAOYSA-N 432.506 0.080 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 604042778 CXTBTRNSVLLJDM-AWEZNQCLSA-N 431.488 0.624 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 608911271 XUTQVOAGPKXOKT-UHFFFAOYSA-N 442.541 0.174 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)ccc21 609004539 ADMMZBJRQSNLOY-UHFFFAOYSA-N 433.472 0.867 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1=O 726044024 ZDUYPGFMDCXGCD-SNVBAGLBSA-N 434.361 0.450 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 726620549 XAPPFAJJMCPZJB-MRXNPFEDSA-N 435.506 0.805 30 20 ICED CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732155236 ZQPPNENPHAQYMN-VHEBQXMUSA-N 436.490 0.858 30 20 ICED CCOc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732907800 DIHFHUJJQFUYFD-HUUCEWRRSA-N 433.486 0.404 30 20 ICED C[C@H](CC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748374504 FSIUMYXLNMUGDB-ODXCJYRJSA-N 447.517 0.340 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CC2)o1 750131218 DKFBBNMYNVQQEA-MRXNPFEDSA-N 429.477 0.695 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cc(CO)nn1 753011640 FIWWXYIPFSMNOF-MRXNPFEDSA-N 434.522 0.430 30 20 ICED Nc1nsc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 758592668 FUWNYGLRBNTUJV-UHFFFAOYSA-N 435.535 0.288 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)Cc1ccccc1 765102517 TZKCWILGIYQPPW-HNNXBMFYSA-N 435.527 0.956 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 771322735 YKPZVOFKJWTFRA-UHFFFAOYSA-N 435.322 0.463 30 20 ICED CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 773113372 HUEPVPGJMGPWRM-UHFFFAOYSA-N 437.547 0.764 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 773487685 IMJIQHRFWAQJEH-UONOGXRCSA-N 440.464 0.785 30 20 ICED C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 774443363 PMNICOJXLHIYLS-DRFCBZPGSA-N 442.563 0.711 30 20 ICED O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)CCN1 781104271 QIZSCCFJELTOAG-LWYOUWALSA-N 444.561 0.025 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 784866925 CKUXXEXNLPSSAN-QCLUAIMQSA-N 435.506 0.223 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 784925322 YBCMQNGFMUILKU-UHFFFAOYSA-N 446.529 0.197 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccsc1 790439927 YCSGIDSIFABJPT-UHFFFAOYSA-N 432.552 0.991 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 795112081 VRBOSSLHKSYTAK-UHFFFAOYSA-N 444.351 0.904 30 20 ICED C#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 798802875 DYVAUXLSXOLYFM-UHFFFAOYSA-N 430.530 0.902 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(S(N)(=O)=O)cc3)nc2)CC1 811633692 RUZZMUVEOTYPON-UHFFFAOYSA-N 438.535 0.111 30 20 ICED C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C 813774804 MVENSJPGINHUPI-PBHICJAKSA-N 437.518 0.534 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 816849763 HRVCKNBGRXKCKE-UHFFFAOYSA-N 428.474 0.952 30 20 ICED COCCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 843475056 WWYZYMKPRYZAJO-AWEZNQCLSA-N 443.547 0.167 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)cc1 916520886 UWKRVWXJXPTLSA-UHFFFAOYSA-N 439.501 0.953 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916867737 GGCLRYYMQLQVEL-HZPDHXFCSA-N 440.522 0.944 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 918158068 VRLIVAVGOYLBTG-KNTRCKAVSA-N 428.536 0.168 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC2)c1 920621220 NCAGJHHGKKUGDE-KRWDZBQOSA-N 436.534 0.751 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1)C1CC1 920655265 OTNYWLBZOOSALA-RDTXWAMCSA-N 438.278 0.891 30 20 ICED CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1302429009 WHPOHNPOCGPPMD-WBVHZDCISA-N 444.517 0.604 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1303641226 PVPBNKVSOLRFPH-HOTGVXAUSA-N 441.602 0.937 30 20 ICED CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1329005147 SHZKTPLZXWEVTE-IAFNSTAXSA-N 441.554 0.604 30 20 ICED CS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1505144753 KVEICNHFBMQMMT-KRWDZBQOSA-N 427.490 0.904 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1515314565 MBUYXKGZAORMDW-INIZCTEOSA-N 446.533 0.830 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1554503096 TWBUQQKLQNUHIR-SFHVURJKSA-N 438.485 0.953 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1555806743 MFTRYJBQEQYUDJ-MRXNPFEDSA-N 437.547 0.875 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1645168647 JOJYAEYYKDMDSZ-ZNMIVQPWSA-N 443.547 0.212 30 20 ICED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)N1CCOCC1 1741834426 OODWWGYFMYQCPE-MRXNPFEDSA-N 447.565 0.523 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2COCCO2)cc1 1750384306 UROVVGWAWQQRQK-SFHVURJKSA-N 426.477 0.846 30 20 ICED CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750983644 YXXSMJFZDPUUKT-GJZGRUSLSA-N 441.558 0.264 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708698 NUJUDBXBRBPOME-PEBXRYMYSA-N 425.441 0.303 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779103158 NIHBBZCSHHMQPK-GYMQQHCDSA-N 436.425 0.290 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780697410 VILZGODTJJBZHX-IIBYNOLFSA-N 438.525 0.955 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1COc3ccccc3O1)C2 1782009482 MXCRLNDVERREBL-XKDCRVNJSA-N 442.468 0.818 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1O 1782015549 SLIGCRNFCIHUQL-XMSQKQJNSA-N 443.456 0.566 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194227 FCRSZCLWOVRVOY-NRFANRHFSA-N 425.445 0.831 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1)C(F)(F)F 1783208802 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CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C2)C1 1846197148 ZCTWPGRRKPVVFE-UHFFFAOYSA-N 431.489 0.925 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2 1847073968 PHTJJMBAJSGHOS-OAHLLOKOSA-N 441.550 0.541 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847942792 XPNUHIRWZKCIRO-KKUMJFAQSA-N 449.508 0.209 30 20 ICED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 10452867 LCAUZZNCQXBUCH-HXUWFJFHSA-N 445.501 0.112 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 410172410 QFGKDQQARXNWLP-UHFFFAOYSA-N 441.536 0.399 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)n2)cc1 427671570 JAYDUKSRUCDHFA-ZVLUJTKISA-N 444.495 0.762 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 427805513 PIRORMMWGUWAGV-RDJZCZTQSA-N 433.534 0.829 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434825093 AMLZTKMQBPIIOT-ZFWWWQNUSA-N 441.506 0.002 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2C[S@@](=O)CC(=O)Nc2cccc(C#N)c2)cc1 437184429 COMMSOPYEDPNTE-GDLZYMKVSA-N 444.498 0.825 30 20 ICED Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1C#N 443969460 YRCDKANTPLUUCV-UHFFFAOYSA-N 449.558 0.692 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 446384809 BWFRKPNUWBWZMI-OAHLLOKOSA-N 430.461 0.371 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 460578499 SFKKTJVZUNTCDZ-QGZVFWFLSA-N 435.488 1.151 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC(O)(CC#N)C3)CC2=O)cc1 473379913 NXINEROULHHEEP-HNNXBMFYSA-N 434.518 0.557 30 20 ICED N#CCCn1cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 506148972 AHKJLCGCGRQSDT-UHFFFAOYSA-N 436.516 0.967 30 20 ICED C=CCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508863957 MDAFZRBAAKZSJC-OAHLLOKOSA-N 426.477 0.589 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)[C@@H](C)CC#N 509227088 XWPPCBMMIHYNPS-RDJZCZTQSA-N 426.539 0.643 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)CC2)cc1 511117244 WVVXZNBCAYFEGD-MRXNPFEDSA-N 440.547 0.238 30 20 ICED CN1CCC(C#N)(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 521604739 BEZBYFSBHLBQID-UHFFFAOYSA-N 447.561 0.404 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c(C)c1 527030371 QGWVBMKIDPBYDG-INIZCTEOSA-N 425.510 0.511 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 539270832 QEZREXDZAOFWFU-ZDUSSCGKSA-N 429.470 0.086 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 561737396 TXDJBUCWSXCQCK-KRWDZBQOSA-N 435.554 0.446 30 20 ICED O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC#CCO 577871215 LOVAFTSTRBIYCY-UHFFFAOYSA-N 427.910 0.065 30 20 ICED CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 581094164 QCPBZYKUTXEWJX-UHFFFAOYSA-N 429.458 0.743 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 588743845 SGBWNZMNTAAUJM-UHFFFAOYSA-N 427.465 0.776 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589756692 UMUIVDJJTWSZTC-UHFFFAOYSA-N 425.510 0.775 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609127062 FLCAYAUTEXONQD-FQEVSTJZSA-N 434.500 0.882 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 611596526 VINODYHFISLCQO-GFCCVEGCSA-N 434.453 0.362 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)C[C@@H](C)O1 619475560 MWDKNHBBMOTXER-IYBDPMFKSA-N 442.563 0.413 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1cccc(F)c1 685535011 JOZSKHQZCCWMOK-QGZVFWFLSA-N 439.513 0.935 30 20 ICED CN(CCCNC(=S)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C)c1ccccc1 727262035 IDKQVCQKQNZLKH-UHFFFAOYSA-N 428.522 0.697 30 20 ICED COCCCNC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816108 CJPQARPUPYMKPM-UHFFFAOYSA-N 436.581 0.637 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCS(C)(=O)=O 731494673 BXCHVFKLEKWMLS-UHFFFAOYSA-N 449.529 0.207 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H](C)CS(C)(=O)=O)C1=O 735224009 JYERNNKBDAMPHF-HZMBPMFUSA-N 427.504 0.916 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 743213292 VSHZXYLSOCNJPW-MSUUIHNZSA-N 437.478 0.259 30 20 ICED COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743939702 GHVOYIXHAMFAJY-KTNMXJNISA-N 440.522 0.606 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 754453824 ZPPSQVKSJVWIOK-GUNSETOZSA-N 449.558 0.664 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 755956636 BWKZLFLFIYKEBO-UHFFFAOYSA-N 446.551 0.924 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C(C)(C)C)n2)c1=O 758074528 AHWKIMVFGVAGDW-UHFFFAOYSA-N 442.566 0.659 30 20 ICED C=CCNc1ncc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 770107624 MVDRZJUPYKHSNY-ZDUSSCGKSA-N 428.536 0.229 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 770181994 VFNXJVARCQMKCN-KRWDZBQOSA-N 426.454 0.601 30 20 ICED Cc1cc(Cl)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCCO2 771896620 DQHWIBFKTYXCQQ-UHFFFAOYSA-N 426.882 0.901 30 20 ICED CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 783981163 ATZQNGSMKDORSZ-RELWKKBWSA-N 435.550 0.992 30 20 ICED COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 784948618 OMSJNGUQYWNLQA-QGZVFWFLSA-N 437.518 0.998 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 786416259 ULCOCHZLLQLNSK-WCQYABFASA-N 434.453 0.411 30 20 ICED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 792454107 ZSTJIRVMZMKTEG-HNNXBMFYSA-N 436.534 0.488 30 20 ICED CN(C[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1)S(C)(=O)=O 795652508 KGILMNXNIYQOCJ-JXFKEZNVSA-N 433.534 0.886 30 20 ICED COC(=O)[C@H](C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 797292732 ULXWWQHLOZZGDQ-LBPRGKRZSA-N 445.519 0.293 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1=O 800855942 KADCTYCRFALKEC-OAQYLSRUSA-N 435.525 0.738 30 20 ICED C#CCN=c1nc(N2C[C@H](C)O[C@]3(CCOC3)C2)[nH]c(N2C[C@H](C)O[C@]3(CCOC3)C2)n1 804682217 LUDPRSDFDQAWMO-PEYKTXOXSA-N 444.536 0.107 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 811251963 IXAQPLMUGPKIIF-UHFFFAOYSA-N 432.433 0.782 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(=O)OCC)cc1 811833193 QJNYNOKWIKXQBE-QGZVFWFLSA-N 436.486 0.699 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)ccc1F 914657754 WXPLAZQZYWBFHJ-AWEZNQCLSA-N 427.498 0.999 30 20 ICED CS(=O)(=O)C[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 917185125 SRIQUTBOPACQBD-AWEZNQCLSA-N 427.548 0.789 30 20 ICED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1136949239 OOQOXBISWJKDDZ-GBESFXJTSA-N 430.530 0.109 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 1190969049 XUIRXFAKHYGZTM-OAHLLOKOSA-N 448.592 0.804 30 20 ICED CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1313448855 PNQIXCZTYRJCGE-OWCLPIDISA-N 425.559 0.491 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNS(C)(=O)=O 1328176702 GTHLWGGTMMZXOG-AWEZNQCLSA-N 430.552 0.292 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1611124608 NRIYXBGWTSUZJK-ZWKOTPCHSA-N 434.518 0.281 30 20 ICED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1697755835 MMEPQHFCLRATMQ-MOPGFXCFSA-N 428.493 0.819 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705679737 XWJYHXXYXLCQGB-ZDUSSCGKSA-N 438.330 0.979 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN1CCCO 1726406455 QKALSQIUFHRYCB-SJLPKXTDSA-N 425.541 0.810 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778106058 WDAKQQMOYZGDHH-WNQABQSNSA-N 435.569 0.839 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1778968646 UDQTUCUUALQHIG-GCJKJVERSA-N 427.505 0.834 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1778968732 UDQTUCUUALQHIG-PGRDOPGGSA-N 427.505 0.834 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779058742 WIRCJCDNWSNNFW-YTHMNSHZSA-N 446.508 0.636 30 20 ICED CC1=NN(c2ccc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)C(=O)C1 1780796238 JVULWTOVADNYBJ-JOCHJYFZSA-N 438.440 0.331 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1)C(F)(F)F 1781487441 GSCCNBLORHHLTG-RDTXWAMCSA-N 428.411 0.876 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861601 VOTRVNIEWKZIPW-SIFCLUCFSA-N 442.513 0.460 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558616 SLGSDHMEOKKVHN-JOCHJYFZSA-N 428.441 0.324 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784010547 JKXAOPHPYIKYDF-DHIUTWEWSA-N 449.548 0.992 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784115176 GZLALWISAWFSRJ-QFIPXVFZSA-N 445.592 0.792 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnnn4C)[C@H]3C2)c(O)n1 1785463098 KQVMWALUIBXYEY-FNHZYXHNSA-N 440.504 0.941 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1785571532 DUMFUMSHUSYFSK-VLIAUNLRSA-N 449.533 0.898 30 20 ICED COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1785809800 MCXCAGXTUFDPCO-BQFCYCMXSA-N 429.521 0.965 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)[C@H]2C1 1788249946 HBEUGDXARQLKAF-JHWSBEJJSA-N 449.548 0.607 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cc2n(n1)CCCO2 1788351197 KOLWWLFFZCEMFY-PPKZOYOQSA-N 441.488 0.971 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C)nc3OC)[C@H]2C1 1789012198 JMFQXYHYJHKRKC-SMDJPQOOSA-N 442.516 0.850 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789177690 DPJXXMKLDZQNNP-MLCVQOOXSA-N 442.472 0.262 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]32)c1 1789259711 FQPDJIFTOBTUTG-PQTDTLSBSA-N 428.489 0.685 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nn1C 1789400707 FLDJQHHPYPZYGF-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1793350203 XMNPKVXOIYSKTJ-UPHUGPLXSA-N 442.520 0.927 30 20 ICED CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(C)C 1797812719 ZXZZGQRQAQCQFD-LXRZPIJOSA-N 439.509 0.693 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c(Cl)c1 1799749300 OHNKSRNRJRPESM-DRXBFXEBSA-N 443.847 0.930 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)c1 1799798103 ATCIBXGCNYEZAO-FZDIXFNVSA-N 433.530 0.751 30 20 ICED CC(C)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(=O)OC(C)(C)C 1800774637 OATJQRYSXIDPRX-CCWDJLKJSA-N 437.493 0.310 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801118472 OMGCYHOVQONCKK-FAQVEIGNSA-N 445.592 0.552 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)c1ccccn1 1801259362 JWIHOCYXLVTHKB-UGNHIXGNSA-N 439.516 0.697 30 20 ICED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801444020 CXSKEBKHSGTHHD-CCWDJLKJSA-N 446.467 0.859 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1c1cccnc1 1802497388 GYUJRXDKKRTIIM-JDSYDOCNSA-N 429.477 0.302 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810090868 ULIBPOSJQDYFBZ-VYCZESIESA-N 432.477 0.190 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389633 HTFPVKJRNLBTGD-SIKLNZKXSA-N 448.479 0.682 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813023774 ZUCQEBWOELBJJQ-UGNRZPKXSA-N 439.468 0.931 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813044963 GFFYRAUTTDTCFS-JXFKEZNVSA-N 433.472 0.936 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)ON=C(C)C)CC2)C(=O)O 1815085780 LWJAMZFMJWTKKB-DMDPSCGWSA-N 425.511 0.919 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824542151 SWOWWUZHRVZSLI-ICSRJNTNSA-N 429.627 0.847 30 20 ICED COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825775608 KOYMBVTYKBFAQU-CYBMUJFWSA-N 439.490 0.213 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)cc1 1829900851 QCZROZNHZDOFEM-QHCPKHFHSA-N 437.452 0.824 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)CCO2 1830834430 TTYQSCWLIYBMER-VVBPWWLESA-N 448.422 0.613 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1 1831020459 VJPIABVTPDWHGC-JOCHJYFZSA-N 442.472 0.275 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831391977 AJMGBZHNLZKSQN-QVKFZJNVSA-N 427.461 0.066 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CCC1=O 1832380655 QNFUCTWZSQWASE-QFIPXVFZSA-N 439.472 0.236 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832469003 VIFZCDALTOAMQD-REWPJTCUSA-N 426.517 0.803 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833167450 UMPHFNIHTCSUGB-QHCPKHFHSA-N 442.516 0.174 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833470092 VNMKFJTZDYMEGA-OAQYLSRUSA-N 435.477 0.138 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4sccn34)CC2)CC1 1834400266 NYKADKGUTRXMGF-UHFFFAOYSA-N 428.518 0.855 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1834760018 DHEUTRIGPIRFCS-QHCPKHFHSA-N 441.532 0.704 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835609504 PVABTGIUYNVTQZ-QHCPKHFHSA-N 428.533 0.945 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665527 XAWGCBSUGRMAMS-SFHVURJKSA-N 437.614 0.846 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836040613 WSNHRQFZCTYZJX-FQEVSTJZSA-N 435.550 0.424 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2)C(F)(F)F 1837171325 KBJUMCXDQJDCCK-GOSISDBHSA-N 439.394 0.918 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1837395415 ZMJOKJIITHADHX-WZONZLPQSA-N 430.501 0.899 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1837404979 FYEWDLSBFBEVON-XXBNENTESA-N 437.581 0.748 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837633187 IDYSMQLKUIEOQR-QFIPXVFZSA-N 428.489 0.670 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(-n2nccn2)c1 1838631862 XBTDPSLPBPLCMP-IIBYNOLFSA-N 445.545 0.964 30 20 ICED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186354 OGKMOXPGHAZDGU-QFIPXVFZSA-N 432.496 0.648 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1839451265 JIAANBPEWQQQNB-OPAMFIHVSA-N 428.489 0.448 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1839472213 IAKWIWCJGZGGJR-QFIPXVFZSA-N 444.488 0.970 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ncc[nH]5)C4)C3)c2c1 1839487848 ZCBNAXNADMLXPA-OAQYLSRUSA-N 435.444 0.541 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839652628 OTLXXVBUOAVUFU-NRFANRHFSA-N 438.594 0.695 30 20 ICED CC(C)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840002482 UWXXMHFDLHPUEU-HSZRJFAPSA-N 428.485 0.897 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840234160 JCEXJNIOUFVZGB-AVRDEDQJSA-N 438.521 0.605 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840291946 OIXIAEFFEPIWQJ-XLIONFOSSA-N 428.551 0.317 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)O)C3)C2)cc1C#N 1840763731 OUUWPZWJEAFQBA-KSFYIVLOSA-N 431.489 0.796 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1841603234 HYEWQJSHSDPRBH-BBWFWOEESA-N 435.521 0.598 30 20 ICED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2)c1cccs1 1843417980 SDKUQZVCXLKIRY-SNAWJCMRSA-N 439.497 0.944 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1843973556 KIYYESQGAZCTMP-AATRIKPKSA-N 444.557 0.855 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1846964789 MONCGQKFWPUMIX-GOSISDBHSA-N 448.564 0.781 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CCC#N)C3)C(=O)C1 1847122581 WKVPXPBLMIFOLU-UHFFFAOYSA-N 433.509 0.573 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)NC(=O)NC)nnc12 9549632 YRHTZPQOXQEXOI-LLVKDONJSA-N 444.473 0.710 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 106112749 KULXJTLJMIYARA-UHFFFAOYSA-N 427.482 0.902 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)n2)CC1 427034825 LCNSCDPOACBBGT-UHFFFAOYSA-N 435.532 1.304 30 20 ICED COc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 427795570 FEMKGGARWWZNRQ-IBGZPJMESA-N 435.506 0.264 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CC[C@@H](Oc5ccc(C#N)cn5)C4)CC3)ncnc21 428796808 NSKUARFHARKIBG-QGZVFWFLSA-N 447.503 0.432 30 20 ICED C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@@]1=O 429571196 CUFXUUADWOQTEL-OLRZCDJHSA-N 438.575 0.234 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 442339087 BEJLOYCZPCJKKA-OAHLLOKOSA-N 437.416 0.889 30 20 ICED N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1Cc1ccccc1 463737958 URGNLPFIFDTZJV-SFHVURJKSA-N 426.498 0.796 30 20 ICED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 465201467 WUWRGNVKBBKDGC-OKZBNKHCSA-N 425.537 0.718 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 465450395 BTXAGQOVZXZHTD-UHFFFAOYSA-N 442.450 0.084 30 20 ICED COc1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OCC(N)=O 472113289 RLMYACOCLHATEI-UHFFFAOYSA-N 441.492 0.505 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(Cc3ccon3)c2=O)n1 479360148 DIPMDKOXHMWHHB-CYBMUJFWSA-N 438.465 0.458 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccon1 480950046 JJVDSXISNBTXJJ-UHFFFAOYSA-N 446.435 0.490 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 508307362 SYXNXSNKQLMUBZ-UHFFFAOYSA-N 445.505 0.388 30 20 ICED C=CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508481245 OSQNHFIYBXMHPY-CQSZACIVSA-N 428.518 0.912 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)C1=O 508811175 NPUNXYZXRDEYDR-UHFFFAOYSA-N 435.389 0.414 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 523573228 HEELBVZDIGCQEM-UHFFFAOYSA-N 436.541 0.556 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CCOCC3)CC2)nc1 550107604 DGTHWVKHFBHEDK-UHFFFAOYSA-N 448.527 0.750 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 550591654 HRSPMVINALCNPP-DLBZAZTESA-N 429.521 0.421 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)CS(=O)(=O)CC 577912051 ITTLRLFLTIWENN-YJBOKZPZSA-N 448.545 0.842 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 578166048 WGSAKMLZZHCADC-VQTJNVASSA-N 431.489 0.865 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 578276661 XWEOOMVOPWVADN-WOJBJXKFSA-N 439.516 0.099 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1 578467491 SXXNDWWFPPUTQN-UHFFFAOYSA-N 446.458 0.844 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccn2C)CC1 610799098 HMISTIIOMZPPOP-OAHLLOKOSA-N 429.502 0.548 30 20 ICED CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 611003675 NNKMDIVOYVNUMM-CVEARBPZSA-N 449.577 0.980 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c1=O 677123837 RFZCIXMSFNLAIO-UHFFFAOYSA-N 429.546 0.723 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 677497477 WFLREYURAGBTLC-BBRMVZONSA-N 428.532 0.758 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 728466773 RAYPSKRKYJHZKF-USMQXWLVSA-N 449.533 0.565 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795541 MCDHBXLWSBVJAC-UHFFFAOYSA-N 440.573 0.540 30 20 ICED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCS(=O)(=O)CC1 732909756 GIFZIFNMDLHGBI-HNNXBMFYSA-N 434.470 0.777 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 737229201 NGTRMYMKDRYIIW-UHFFFAOYSA-N 449.529 0.727 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)C[C@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 744093977 YETACLOOAOMUOB-CHWSQXEVSA-N 429.520 0.519 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 747735488 XOHJBCSGGYQEDX-UHFFFAOYSA-N 437.493 0.448 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)CC1 747993880 SQFWPVBNXVJZDT-UHFFFAOYSA-N 448.545 0.692 30 20 ICED CO[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1OC 754010870 VRYHTFIZXRWJKU-UEHMLLMQSA-N 438.506 0.310 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 768919433 RDRYKCKCOBMBPK-PKOBYXMFSA-N 442.541 0.724 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 768965758 BZZWHDUVHFIGTL-PTJLRZKYSA-N 429.524 0.394 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783618364 PJQVXEYASQQMSN-OAHLLOKOSA-N 427.548 0.857 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 784827520 DNJHUUJQPULUKC-MRXNPFEDSA-N 447.517 0.803 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C(=O)NO)cc3)CC2)cc1 788254467 LWRKMGOVGUWWFY-UHFFFAOYSA-N 446.529 0.737 30 20 ICED Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 789518367 QQADZELEAFCERI-ISLYRVAYSA-N 444.398 0.946 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ncnn1C 789612747 FQOMQHARJATWFB-XQAVQBLBSA-N 433.494 0.444 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)n1 789793623 OQVGQXOVJNXQPP-UHFFFAOYSA-N 443.529 0.752 30 20 ICED C#CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 798800787 VFKJZTPKEMKQCD-UHFFFAOYSA-N 443.529 0.995 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2CCCOC)c1=O 802723312 HIEIYXSBQITQOE-UHFFFAOYSA-N 447.520 0.918 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](C(=O)OCC)C2)[nH]c(N2CCC[C@@H](C(=O)OCC)C2)n1 804318371 IYJNJMQISVKUQV-IAGOWNOFSA-N 444.536 0.898 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn(C)n2)c1 807438659 WHSFAAGEXNNFEF-JJIBRWJFSA-N 447.521 0.663 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2=O)cc1 808174107 IYXAHPAWHHJBSW-QZTJIDSGSA-N 426.473 0.924 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 916199211 CSPYYLMJYAPMBG-UHFFFAOYSA-N 427.482 0.124 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)n(C)c1=O 916919552 XYMMXMHMLWNVCN-HNNXBMFYSA-N 430.424 0.934 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2c1cnn2CCO 917172935 MAFFOPHBCCCXOS-MRXNPFEDSA-N 431.518 0.888 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 1116022298 VWTAYPHQIFCEGG-LSDHQDQOSA-N 426.473 0.947 30 20 ICED N#Cc1cn(CC(=O)NCc2ccc(Br)cc2N2CCOCC2)c(=O)nc1O 1150052604 IOKVTIFTWCWBAK-UHFFFAOYSA-N 448.277 0.736 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1286969769 RLPSSTLNTRBKSV-CFLQYTFWSA-N 447.517 0.936 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)OC)ccc2c1=O 1336156124 AZPDKUDEVUQZNJ-AWEZNQCLSA-N 437.499 0.283 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1517125336 NYOGVEKBUWKUDR-FXAWDEMLSA-N 431.518 0.840 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1518382253 PYDUYPGFHCGWHW-KRWDZBQOSA-N 447.517 0.622 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1541675856 ZSVQIBNNYRHJLQ-MOPGFXCFSA-N 444.584 0.440 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1555583422 WVAUHHMGUZSUEF-UHFFFAOYSA-N 433.463 0.966 30 20 ICED CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615888109 MZSCOFNACOALBK-OAQYLSRUSA-N 432.548 0.984 30 20 ICED CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1659300141 JSJNAXBVVPJHPK-UHFFFAOYSA-N 433.303 0.854 30 20 ICED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1669216967 MBJYJAWJHPUIFT-UHFFFAOYSA-N 438.528 0.285 30 20 ICED CCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC12COC2 1680779112 SBDHPYTXHUAWMX-QZTJIDSGSA-N 426.473 0.880 30 20 ICED CN1CCC(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)(N2CCOCC2)CC1 1683335435 MZCKCCOOWZJLOF-UHFFFAOYSA-N 427.553 0.581 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1697381235 ILOSEYBRLQOGQY-AWEZNQCLSA-N 436.494 0.240 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1697706885 VOWVKPAZVSKFAO-UHFFFAOYSA-N 432.506 0.156 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1706078648 YWUDCDGVPMKAOS-QWHCGFSZSA-N 425.540 0.712 30 20 ICED CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1712671564 YWIYXQQTAYMDQQ-GOSISDBHSA-N 446.533 0.989 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1722478121 PPHMSUBINGTTAV-GHMZBOCLSA-N 436.332 0.796 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1730423569 UULUQAYOJNXRFB-UHFFFAOYSA-N 446.533 0.593 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1749888691 QLGFEHVFCFLOSA-LJQANCHMSA-N 441.540 0.033 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)C1 1771529598 QRNGLNUCZMUHOY-CRAIPNDOSA-N 426.518 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778242605 UTEWXNYXIWRLTE-VZVPXEAQSA-N 425.485 0.678 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cccc1=O 1779101481 QOEMPRFSTZPQRE-VQHJOYQZSA-N 432.477 0.358 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C1)CCC2 1779106911 NAJVAMFHTPILOL-ASPARNDVSA-N 445.520 0.881 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1779268837 FNDWRGRKMVUOPT-NRVIRDBHSA-N 432.521 0.867 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779692130 WXDQYDQRDKBANW-SOIKWTOOSA-N 430.461 0.341 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020892 RXBKJELGSUKTMR-VFNWGFHPSA-N 444.492 0.575 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1780806705 KYPBCEUQYFEMQI-GPMSIDNRSA-N 431.555 0.736 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CSCC(=O)O)CCO4)C3)c2c1 1782197603 APBLHFPCPIYOQM-HXUWFJFHSA-N 443.485 0.696 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1783558515 ZDWJKBLNNKOKLB-SFHVURJKSA-N 441.362 0.554 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567773 ZGMJEDFOGXSABF-OPAMFIHVSA-N 449.504 0.598 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1783769656 XCECYFFYQDQYND-IIBYNOLFSA-N 438.525 0.422 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784118380 AYFIWVJEBQFPAK-WAIKUNEKSA-N 436.468 0.682 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21 1784494897 KGPPRBHZXDQWJP-OVWQWFNUSA-N 427.498 0.013 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)cc1 1786747300 SAJXRMBMWWBRBT-ACRUOGEOSA-N 426.517 0.874 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600951 MRZMASDTNYTTCC-ONMOMLBCSA-N 435.569 0.743 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(C)C)n3)[C@H]2C1 1789368488 KIXCWHKBWMVBOQ-NHKCJIRDSA-N 429.521 0.916 30 20 ICED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)cc2)CCC1 1791115233 IGZPFZVAICOHCA-UHFFFAOYSA-N 438.396 0.979 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)CCC1 1792142387 BRCGYRBGDNKRBO-IHRRRGAJSA-N 436.559 0.520 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148721 ZOTUBTKOPVSLLX-BJLQDIEVSA-N 428.489 0.443 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1792562366 XOGMRKNRGIXDOU-OSOWDXQVSA-N 435.374 0.838 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796586953 YXZILJUAAHLYRQ-HGKCTWBKSA-N 434.493 0.242 30 20 ICED 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)C1 1797218431 MLDGURKNYQISMC-IEWDOMPSSA-N 449.548 0.871 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1797812345 QVRWQTDNERWATB-OXMUTQJASA-N 442.476 0.462 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1797816049 FCJYANRUSURNCU-UYFBLWBISA-N 445.516 0.709 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)C2 1800451066 NOPNIEFJYVNCAI-YNVMFWSZSA-N 442.516 0.740 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801161159 UIDQAQBZXTVPHP-USRAEIGSSA-N 441.550 0.820 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn(C)n2)C3)cc1C#N 1801847286 LQGTUXKLQVIMBG-IZZQQSIFSA-N 438.488 0.991 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801972204 MKUJTVYSNKAGLH-AGGWBTHJSA-N 426.420 0.058 30 20 ICED CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1803481206 VAKAAMIATJTZRR-BMIJGBIGSA-N 431.493 0.753 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803641574 DZWRJSUNMLQVJJ-OPYNEWBTSA-N 427.461 0.054 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190230 DDFHXIVCIFAUFR-DYESRHJHSA-N 425.489 0.833 30 20 ICED N#CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1806283288 DNBRXUKJVHWDMY-KXBFYZLASA-N 438.513 0.906 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700259 OLQAZWWNZBBBAA-SFHVURJKSA-N 445.651 0.902 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCc3nc(N)n[nH]3)[C@H]2c2cccnc2)c1 1811541063 RDMNSZBLGSIEKM-BEFAXECRSA-N 433.476 0.934 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1823086124 XPPFDJPIMXZJDF-SNUQEOBHSA-N 439.538 0.507 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1826891928 XNDJUHYAWSCYJO-IAGOWNOFSA-N 446.552 0.486 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1830635418 ZLSRWTWLTFPOPJ-FQEVSTJZSA-N 428.551 0.646 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831397187 VHVIMBRVBWWZQP-VGOFRKELSA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1831402509 JDCYAJHWFMFHQN-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1831427971 WNNXHADGAVSZOP-LAUBAEHRSA-N 436.509 0.191 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc[nH]n5)CCO4)C3)c2c1 1831766534 HNQCGLIOLFKVMH-OAQYLSRUSA-N 435.444 0.541 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831815746 MUPXFGMPRZYISZ-OAQYLSRUSA-N 426.477 0.621 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C)nc3)CCO2)C1 1832897155 HYDQQACRNCYQBQ-XXBNENTESA-N 429.517 0.817 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cc1O 1833410185 ZICMUQQYPGKEBP-OAQYLSRUSA-N 443.435 0.520 30 20 ICED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1836833365 RBACSJLJNVCPKD-UHFFFAOYSA-N 433.549 0.820 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836903106 PSFRNYKOLCDPEA-KRWDZBQOSA-N 437.493 0.603 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1837394993 NGGCFFIJIAPUBP-IERDGZPVSA-N 434.493 0.128 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837481498 JQSCTWKFSOAFOE-JLHGSKIFSA-N 447.536 0.307 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1838276284 RJPAUOQONRFQAZ-IERDGZPVSA-N 435.525 0.853 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5[nH]cnc(=O)c5c4C)CCO3)C2)C1 1838468654 LVTYBLYALHKFKP-JOCHJYFZSA-N 441.488 0.367 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(-n2nccn2)c1 1838631860 XBTDPSLPBPLCMP-HRAATJIYSA-N 445.545 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C(F)F)n3)CCO2)C1 1838704064 VYOZXGGJZXDZLL-QRWLVFNGSA-N 440.447 0.695 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951449 QQWOMQHJCUEQMO-ZHRRBRCNSA-N 426.473 0.319 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)ccn3C)C2)C1 1839175564 QIJWKWWEXINBFO-JOCHJYFZSA-N 433.505 0.913 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839225564 NFYWDMHKGFECDG-HRAATJIYSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241648 WECFMITZCBGCRW-DYESRHJHSA-N 435.525 0.826 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839845148 FPHGUSVNDLRGJC-DKZVUGQWSA-N 447.536 0.126 30 20 ICED Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840040083 NJPWBYILTNTJMR-JOCHJYFZSA-N 432.448 0.611 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1)c1ccc(O)cc1 1840222062 BMGTYVBCTNZPHF-GWJPWWOOSA-N 430.501 0.726 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279955 MMOGSMQZVOACNO-DYESRHJHSA-N 428.526 0.823 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCN(CC)CC3)cc1)CCO2 1840774583 NIUBPVSQLYQPKM-XMMPIXPASA-N 440.544 0.532 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)CCC1 1840813139 GYKUODXYZGTRJS-FQEVSTJZSA-N 433.440 0.546 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840855352 FTICYVYOABYKTE-APWZRJJASA-N 431.480 0.959 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)C1 1841432750 XKYNSNUXUPITRF-WBVHZDCISA-N 433.505 0.807 30 20 ICED CN1CCCn2nc(C(=O)N3CC4(CCCN4C(=O)C(C)(C)NCCC#N)C3)cc2C1 1842921108 LNVFVWBGDHDEIF-UHFFFAOYSA-N 427.553 0.817 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 17304843 NNIZGWIEIRMHSP-UHFFFAOYSA-N 430.442 0.363 30 20 ICED CN(CC(=O)NCc1ccnc(N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 25291514 PRKOPZXHMBBQPT-UHFFFAOYSA-N 429.502 0.727 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2cccc(Br)c2)c1=O 30531629 NKLDPSMQGDAWJP-AWEZNQCLSA-N 438.278 0.746 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30596577 XHLLBTCUPSBBSI-HUUCEWRRSA-N 428.536 0.219 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C[C@H](C)O1 36748164 AEOZXDQPLDHTHF-GJZGRUSLSA-N 428.536 0.219 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 110896174 ARFTXNHXVABHIV-UHFFFAOYSA-N 425.489 0.663 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1 439404263 SDCOKVPAWBWCTE-UHFFFAOYSA-N 434.518 0.719 30 20 ICED Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1C 444508963 YYKLGAQOSTVRJM-UHFFFAOYSA-N 437.504 1.135 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 460694288 ZFBUHVRWOKBTHI-MRXNPFEDSA-N 437.460 0.175 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cn1 461314420 YAQMMOZQHNJUOJ-UHFFFAOYSA-N 433.413 0.802 30 20 ICED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471063525 RGCVQUWNVNGUMZ-UHFFFAOYSA-N 435.506 0.264 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)n2)c1=O 479399828 WPPBOOIYONODQB-UHFFFAOYSA-N 428.514 0.522 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 480893667 CFNQUMMURCDCSP-INIZCTEOSA-N 434.499 0.831 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1F 489785353 ZKBIKSVGHHVFHG-UHFFFAOYSA-N 444.432 0.837 30 20 ICED C[C@H](C(=O)N(C)CCC#N)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 498056873 DWONKKRENSSLHU-MRXNPFEDSA-N 436.534 0.915 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCN(S(=O)(=O)N(CC)CCC#N)C1 499758122 PTKONPSKAIDPJJ-MRXNPFEDSA-N 434.588 0.249 30 20 ICED CCOC(=O)CN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505407245 BPTRXSUTJBJKGQ-SFHVURJKSA-N 441.488 0.861 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 506476119 DBOILSAGQIZRMY-UHFFFAOYSA-N 441.488 0.577 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 511905114 OLUUVBOVAVSSBN-CYBMUJFWSA-N 431.880 0.832 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 517055849 VXBHSNRFKCIPCS-CYBMUJFWSA-N 427.914 0.927 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2)o1 527245089 XTTABJFKOVRJTQ-UHFFFAOYSA-N 444.521 0.706 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 531560909 QPQGMOIWNIUWDZ-UHFFFAOYSA-N 426.523 0.637 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1Cc1ccon1 531684055 FYEZAFZHVPNGMQ-UHFFFAOYSA-N 432.408 0.797 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 539234587 IFQYXWYUXLNGBZ-QYZOEREBSA-N 426.583 0.347 30 20 ICED N#CC(C(=O)c1ccc(F)c(Cl)c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 540208295 RMLBALZEIITMEQ-UHFFFAOYSA-N 442.859 0.969 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O 551065354 DCYJJPIHQPTUQT-HNNXBMFYSA-N 439.428 0.296 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 557084123 INPALQFJPZFIHQ-CYBMUJFWSA-N 443.469 0.703 30 20 ICED N#Cc1ccc(=NCC(=O)N2CC[C@H](N(C(=O)CN=c3ccc(C#N)c[nH]3)C3CC3)C2)[nH]c1 557245847 BMKDFJICOHOKJW-IBGZPJMESA-N 444.499 0.180 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 566877322 HFNHQCRUYYNPGQ-BBWFWOEESA-N 427.509 0.554 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 582026141 UZWWUPIFNPVSAN-KRWDZBQOSA-N 448.483 0.532 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)CC1 583532160 NVEMAMSZMCQSIK-LJQANCHMSA-N 430.549 0.351 30 20 ICED CN(C)CCOc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124847 MKCKBZLPUIAQDQ-UHFFFAOYSA-N 442.564 0.380 30 20 ICED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1 589248765 MQEIJNLZZCNOTH-HKBQPEDESA-N 445.501 0.872 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCCCC2=O)cc1 592954206 ZDOAWOSZJBSGNN-UHFFFAOYSA-N 436.534 0.950 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608911588 KPANJAYRARRIHD-UHFFFAOYSA-N 428.470 0.812 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 610081864 MKYKGDHWMKPSIZ-ZIAGYGMSSA-N 446.526 0.358 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222468 XANSKFAGSRMFSH-UHFFFAOYSA-N 438.431 0.705 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613078116 FTYFZKVDFVNGPI-UHFFFAOYSA-N 443.481 0.146 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(CC(N)=O)cc2)cc1 685753734 UYMRVYUFWYYJDT-UHFFFAOYSA-N 444.513 0.776 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1SC 729673274 WMRMWCIKVBSDGW-UHFFFAOYSA-N 435.552 0.712 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732129699 CXFGMNQSTYPBBJ-UHFFFAOYSA-N 428.536 0.046 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495695 RPSYVYCVQKSQCE-UHFFFAOYSA-N 438.440 0.653 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 747570808 KMRMNJHDERRKAE-KJDLQHBPSA-N 445.480 0.167 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 747977742 XTIWQWMDEYRHOM-MXVUGKIDSA-N 437.522 0.998 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)CC1 747993403 KDPFUGSRAIWJOD-UHFFFAOYSA-N 448.907 0.643 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 749561974 QWSIYRWYKYSMSJ-FPHDVWFLSA-N 438.440 0.937 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 754453827 ZPPSQVKSJVWIOK-OFJJUDJNSA-N 449.558 0.664 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758052316 CVGBZDLSOAVFMU-UHFFFAOYSA-N 428.901 0.262 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnccn1 758556920 GSQWIVKQKNUCCN-CYBMUJFWSA-N 437.503 0.435 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2C)c(=O)n1CCOC 759225533 CXGDLQKPZCIEIO-UHFFFAOYSA-N 436.331 0.876 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1=O 762010651 KJZJSMAIVJNHEX-GOSISDBHSA-N 438.440 0.822 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1Cc1ccon1 765145306 ORPTULQLLRUAPY-UHFFFAOYSA-N 427.511 0.919 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)[C@@H](C#N)C(=O)N2CCCC2)c1 782578672 BOBPZZUIQUZGNA-QGZVFWFLSA-N 434.518 0.778 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCc3c(Br)cccc32)c(=O)n(C)c1=O 782906778 CSGGVJRXCQCIGG-UHFFFAOYSA-N 441.307 0.865 30 20 ICED CC1C[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)C1 784249967 CEFQXCNSWKLUQU-HOTGVXAUSA-N 444.488 0.860 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787778794 ROGPXLQSFLUVFQ-ZBFHGGJFSA-N 446.508 0.622 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 789958808 DZVJWBRCGALATQ-WATITHJCSA-N 442.563 0.557 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cn1 791053264 KIAYIXUTDVWRCD-UHFFFAOYSA-N 428.518 0.082 30 20 ICED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2c(C)cnn2C)c1=O 795187282 OBVRJOJJUAPFNS-UHFFFAOYSA-N 439.545 0.467 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccc(F)cc2)c1 795325066 UVOXZZNNNYGFEC-UHFFFAOYSA-N 435.433 0.714 30 20 ICED CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 804994146 ZJUVSVBGOGEFCP-WUKNDPDISA-N 442.519 0.180 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 807299161 KLXSYYGTIJOVEP-CQSZACIVSA-N 425.482 0.906 30 20 ICED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 807828444 NTFJQIUUDHFZLG-OAHLLOKOSA-N 428.493 0.585 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOCC(F)(F)C2)cc1 808958255 YULGNFLQFCIRQH-PXLXIMEGSA-N 444.460 0.932 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)[C@@H]1CCCO1 809309847 HKGALUWAQIBQMP-UXHICEINSA-N 447.557 0.940 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2ccnc(N)n2)C1 810769989 FVEBKPDOUNXWRJ-DZGCQCFKSA-N 430.490 0.809 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 811832631 VZEWNGIFAVZZMI-INIZCTEOSA-N 444.465 0.711 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c(Br)nnn1C 816144284 SFQCFQHTKCABKH-SECBINFHSA-N 428.268 0.859 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1cccc(NC(=O)CCN2CCOCC2)c1 849062608 VCAVHMWYXDAEMH-UHFFFAOYSA-N 432.569 0.345 30 20 ICED C[C@H](C#N)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 920448533 IGDDOCJYHKEZRE-BZYXRLQRSA-N 427.548 0.998 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCS(C)(=O)=O)C1CC1 1286620630 PWTDKWIQQRBPRC-LLVKDONJSA-N 425.964 0.654 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1286883342 MTHDIQLZWWYJMX-LJQANCHMSA-N 426.477 0.813 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1299279827 QNQAEQIDOCXUKI-UHFFFAOYSA-N 443.533 0.855 30 20 ICED CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1301796083 RQBXPOZNOZBJGO-AEFFLSMTSA-N 444.517 0.916 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360206902 LDVJOSJHVIBEDB-DYVFJYSZSA-N 427.506 0.140 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@H]1C 1499164939 RMCBSSZBNWOBCH-IAGOWNOFSA-N 425.541 0.938 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541005246 OIBCLTGXKQPOKH-NRFANRHFSA-N 425.541 0.973 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)N(C)C 1541926528 UAMLGSBMZLROJI-CQSZACIVSA-N 425.559 0.887 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1681228473 ZTJHSDDNSUYSCU-HOTGVXAUSA-N 436.513 0.125 30 20 ICED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)nc1 1683669814 YKFOVDCPZVABOF-FQEVSTJZSA-N 427.553 0.581 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1691237635 WUEGKJUGQILHON-ORAYPTAESA-N 449.487 0.965 30 20 ICED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1698358285 BYVNOUNRHOWWOK-UKRRQHHQSA-N 439.611 0.960 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1741126922 VXSROGLPLJVMIY-CABCVRRESA-N 427.575 0.595 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1751240070 ZBWNWQBUXRGDBQ-JKSUJKDBSA-N 439.586 0.739 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)CCOC1 1767485810 XTYQRMXQUODSJR-APWZRJJASA-N 439.538 0.484 30 20 ICED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOC1 1768227122 JTSYJMQCHLCCCJ-RKVPGOIHSA-N 442.542 0.155 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382884 VAXMMEBPSPNLBE-JOCHJYFZSA-N 427.505 0.654 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)CC2)CC1 1779018864 HZPJXHATOPOWFL-PCCDRTMGSA-N 446.596 0.068 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779067449 STIUISOTEZYLCP-QFIPXVFZSA-N 432.517 0.858 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779102435 YCXAUUDNUVSBLJ-OVIGCCJXSA-N 433.465 0.458 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCN(C)CC1 1779139471 DSUARLDLWRURIB-VZCLOHQVSA-N 431.537 0.164 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780692334 RYPLUHLOGNGCMU-QRWLVFNGSA-N 434.518 0.330 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355180 LPJDQMKHOZWSBB-VGOFRKELSA-N 437.537 0.896 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167518 SJSPFFLZAPWMBD-IECBHUPTSA-N 439.512 0.855 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21 1784482669 PNHZYDLKSGEDCG-CBVHJVASSA-N 438.484 0.967 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1784536820 CUXVGSBPLZRXCT-VPAKFMSCSA-N 426.627 0.556 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785350282 DWCVCBFBNREOSF-JTSKRJEESA-N 430.505 0.856 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)c1=O 1785376755 VRSQKQVADPIFLA-QHCPKHFHSA-N 436.468 0.779 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379423 COWVWOQQRVCBSA-JTSKRJEESA-N 426.473 0.388 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1787512391 ICVYGVGFNBOHRQ-PTQOGAHQSA-N 447.557 0.799 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncsc3Br)[C@H]2C1 1787549405 XWTNGAVGEPRMRG-DCAQKATOSA-N 442.291 0.587 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3ccccn3)[C@H]2C1 1788778324 BJPHJAAOCIVDED-DIXNWWEZSA-N 441.532 0.720 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1791261541 OUGHVDXFDNTNLJ-FHIRATQRSA-N 430.530 0.845 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1791286408 BFGTVNKFNCHZRJ-CHAYTZKSSA-N 447.463 0.906 30 20 ICED C#CCO[C@H](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 1793340222 BHFALQZSJORTDR-ZXFNITATSA-N 432.477 0.404 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795320619 GEXUNDUTCLVJSW-DCXXXQMHSA-N 448.541 0.397 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795619715 OBFYDAXFUFBTHF-YVCBRDFCSA-N 435.484 0.622 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnn2ncccc12 1796277963 IWMCBOQDTYGSNF-ZSTXJBAQSA-N 442.476 0.462 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C 1796386585 HOOGAUCEJZPPMQ-OYNZLANYSA-N 437.537 0.918 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cc2n(n1)CCCO2 1797437764 VGUWKVZPLWTBOF-VZHSUQGRSA-N 427.461 0.581 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1797648578 FEMGBBTWEAJEQG-IPLXSBJHSA-N 441.532 0.953 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2nnc(C)o2)C3)c1 1798576463 FBDKHLXOOSPIMD-CWPLJXCYSA-N 425.445 0.704 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)cc1 1798921229 BCCXKHZXDDZJMR-XEMDLRDOSA-N 448.483 0.405 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)C[C@H]1CO2 1799157063 ZSOYAXDTEYYPMM-QZDIBKHGSA-N 434.493 0.268 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1799304424 PJDJFFBJSXDMBC-YXZMJPADSA-N 447.532 0.486 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCCCC2)cc1 1799597156 DNGAIKQKAVBHPJ-OPMZPASUSA-N 425.485 0.968 30 20 ICED 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)O 1800751253 LKAZONUMGXJUQK-NQNKBUKLSA-N 425.526 0.816 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CNCP(=O)(O)O)C4)c2c1 1800874099 JQTRXZLDQZPCBM-BTTYYORXSA-N 446.404 0.411 30 20 ICED C#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)C2 1802128082 YBIWVIKYGWKXSZ-MDMSPXHWSA-N 436.553 0.491 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1803560458 KUVWEJGIYARXBY-NFBKMPQASA-N 448.564 0.357 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)CCC1 1807950393 HXUHHSYIAQXRLO-PBHICJAKSA-N 447.459 0.221 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1808441145 UCWAZWCPCJRMRH-PXNSSMCTSA-N 442.520 0.437 30 20 ICED NC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810365258 VJNSHOVPTWTVPT-ARTLABIRSA-N 432.481 0.285 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1811795263 MKDFAODLEQTTCD-ZVDOUQERSA-N 434.500 0.866 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1815197332 MVKRAKUTCSJTHA-XJKSGUPXSA-N 439.476 0.694 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)Cn4cnnn4)sc3C2)ccc1F 1815685409 BWAMFGXXNYRTJX-CYBMUJFWSA-N 440.464 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1829770589 ZNPOJUDRZASGFM-ICTHTSFCSA-N 445.520 0.140 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830204890 AZQRWFZDFFJYAG-AQTPXSMCSA-N 436.553 0.858 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1830462279 BAQFBFWUQQIINY-QFIPXVFZSA-N 425.441 0.035 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830470467 WXBIYDFYPMQNIB-OAQYLSRUSA-N 443.891 0.440 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830981904 LMQDUIHMZFYYOA-UTKZUKDTSA-N 434.493 0.410 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)Oc3ccccc3O)C2)C1 1831391951 ADCDUZACKUTCFK-UZUQRXQVSA-N 444.484 0.779 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1831396163 ACIOYTBLIGCJCN-FOIQADDNSA-N 440.447 0.695 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831487824 SCZBEQLHJDXSLK-BBTUJRGHSA-N 436.578 0.362 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)s1 1831488632 YMRKJNXKFQZIGV-SJLPKXTDSA-N 428.580 0.800 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1833147229 XAQYQRLILYQXTM-XJKSGUPXSA-N 448.593 0.910 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833617152 BJFIOERBYIICMY-JOCHJYFZSA-N 438.488 0.887 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356947 CNNGESFKMIJQSN-HSZRJFAPSA-N 445.491 0.989 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797075 IJNYCSOOVXMAKJ-FZKQIMNGSA-N 425.511 0.596 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cnc(O)[nH]1 1835965247 UXQAXFXKKKZYHY-HZHRSRAPSA-N 431.541 0.772 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419057 PSYVHZUGCDTBHP-JLTOFOAXSA-N 436.465 0.364 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296774 KKNOALLNUPAYMQ-KPOBHBOGSA-N 435.502 0.496 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837396596 GPNBZMDEWLRLHR-PGRDOPGGSA-N 432.521 0.439 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491733 WSSHINQSUCFRLI-JOCHJYFZSA-N 430.505 0.487 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837497485 VKKOAPOPCJBZFU-AUSIDOKSSA-N 434.533 0.568 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735171 YDYFSZKSRILLRP-OAQYLSRUSA-N 428.493 0.238 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838996712 BQBGEKJNOOUGLD-ICTHTSFCSA-N 449.454 0.893 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)ccc1F 1839186454 UECPHSHWHKZOBL-KNQAVFIVSA-N 431.464 0.875 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222172 GIYIGCZUWFYDRZ-OXFYSEKESA-N 426.514 0.158 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839349592 FWDKLNDWSDSMMI-NRFANRHFSA-N 433.530 0.775 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839648552 RURLLLFRAZTUKO-QPLBDWIMSA-N 440.500 0.977 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649220 GKZOILSPQOXLBF-JOCHJYFZSA-N 448.520 0.554 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839885206 HBJDOGXAICAAAS-NRFANRHFSA-N 448.907 0.808 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840169497 HXYDSLSZCQESNE-JOCHJYFZSA-N 440.537 0.316 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840442480 FZVLYKASBBUXEX-LAUBAEHRSA-N 434.493 0.410 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840572557 HADUFNCZRDMHIJ-GAJHUEQPSA-N 426.517 0.945 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840840875 RLIVVARESXRGDV-NRFANRHFSA-N 434.514 0.574 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840853064 CONNKXYTVZZEMW-RGEBAEOJSA-N 448.520 0.460 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841031385 MJIUFVYGJJWPOQ-VFNWGFHPSA-N 449.504 0.286 30 20 ICED COC(=O)[C@@H](F)C(Nc1c(C#N)cnn1-c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 10384353 RHFRIZGLZFSCSQ-AWEZNQCLSA-N 440.391 0.971 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 409565720 OMJQPPJKPVTXAF-CYBMUJFWSA-N 426.524 0.205 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1=O 428650187 VEJRIUISKGWGFZ-UHFFFAOYSA-N 425.470 0.814 30 20 ICED CN(CC(=O)NCCNS(=O)(=O)c1cccs1)S(=O)(=O)c1ccc(C#N)cc1 437303652 DROJCTFAPWARTH-UHFFFAOYSA-N 442.544 0.335 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)ccc21 471071363 XZEATNHLHXSEKM-UHFFFAOYSA-N 447.517 0.360 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)c1C#N 472889143 BOYCIYBMBLPCFR-INIZCTEOSA-N 435.488 0.491 30 20 ICED CSc1nc(O)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C#N 473524794 AQLRMWMCJJGQLL-UHFFFAOYSA-N 436.515 0.924 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C1=O 477291638 AKNWJBZSHSMNQH-GOSISDBHSA-N 438.488 0.383 30 20 ICED C=CCOC[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 481762790 BPTCKAZALAXCJZ-GOSISDBHSA-N 439.534 0.307 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 482195033 ZICZYXVSORGWQJ-HNNXBMFYSA-N 441.513 0.673 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2=O)cc1 486480744 REFNGFBHBQFEDT-RBUKOAKNSA-N 426.521 0.546 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 498793652 RNRZFWSDOGWLPC-QGZVFWFLSA-N 443.533 0.579 30 20 ICED C=CCn1nnnc1Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 506943267 GNZJIHCNLSMMQG-UHFFFAOYSA-N 425.496 0.855 30 20 ICED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C[C@H](C)C#N 511705723 WVYYQDJHTLPQST-MRXNPFEDSA-N 436.534 0.772 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 511905157 OYAZBKVWBBSVID-UHFFFAOYSA-N 442.472 0.546 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)CC#N 512059098 QICBHJWODMBACT-YJBOKZPZSA-N 436.534 0.880 30 20 ICED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512749771 NXKYZHGDSLAPJI-OAHLLOKOSA-N 427.484 0.964 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCSC 514491265 AGNMHHJPNIFHMA-UHFFFAOYSA-N 432.571 0.714 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 516699482 XBDWGIAZOWTHKI-DLBZAZTESA-N 442.559 0.959 30 20 ICED CN(CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)S(=O)(=O)c1ccc(C#N)cc1 518870458 HTLYFJAMJKQISV-UHFFFAOYSA-N 430.534 0.647 30 20 ICED N#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 522343716 FAPZTFQFXYFTPW-UHFFFAOYSA-N 434.518 0.489 30 20 ICED COCCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 525596803 CFOFONHQWVDZQP-UHFFFAOYSA-N 442.497 0.972 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1Cl 525686903 QDOISVUWLFOJCW-UHFFFAOYSA-N 448.932 0.332 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 537132580 ICVRHQDVMRXULE-HKUYNNGSSA-N 448.545 0.711 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1ccccc1 554625256 VWNOJTWJQFZXHH-QFBILLFUSA-N 432.484 0.912 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN(C)CC(F)(F)F)CC2)c1C#N 556268083 ANWGHXYKUIHGOA-UHFFFAOYSA-N 429.447 0.249 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nn1 561739544 CHZDQFKZUFWXNL-IXDOHACOSA-N 428.474 0.890 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 561903778 HENQWNNNOSUMRT-IEBWSBKVSA-N 434.924 0.733 30 20 ICED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 565493239 OCCUHMXCHKTKAJ-MRXNPFEDSA-N 425.497 0.945 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)c1 576962221 NTADMOGETABNRL-UHFFFAOYSA-N 433.516 0.778 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 585721073 ZKRAPMUFGAPPAM-UHFFFAOYSA-N 430.509 0.301 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 609005733 WFNDYXJFIKVJST-LJQANCHMSA-N 448.483 0.578 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1F 609450789 SFGDVQDJYCFODO-UHFFFAOYSA-N 430.505 0.473 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610665750 RXOZPBQIRNMPOF-LBPRGKRZSA-N 433.494 0.173 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1NS(C)(=O)=O 612849949 IRKHHNRUGXEPEN-UHFFFAOYSA-N 442.501 0.921 30 20 ICED N#CC1(NC(=O)CN2c3ccccc3N(CC(=O)NC3(C#N)CCC3)S2(=O)=O)CCC1 615170953 GNPGMDVDJBYZNH-UHFFFAOYSA-N 442.501 0.683 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 677112611 BVEGQLHDKXOGJG-LJQANCHMSA-N 447.967 0.824 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(C)c2)c1=O 732663282 NGGFSNDGGBTVBL-UHFFFAOYSA-N 429.567 0.943 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 733150774 UFCUVDWMEUODPZ-UHFFFAOYSA-N 446.573 0.344 30 20 ICED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1OC 733653585 KZYTZICUMRAYQH-INIZCTEOSA-N 442.480 0.417 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)nc2)c(N)n(Cc2ccccc2)c1=O 734600889 JYOYIGVPAJUONS-UHFFFAOYSA-N 433.424 0.967 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1 735591445 WZRSUXIKOZCZOM-SPJFCROGSA-N 435.550 0.894 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccncc2F)CC1 741377524 HPJRZLADERDIOT-UHFFFAOYSA-N 432.433 0.782 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746379647 OKXSPCQPWPVOBF-CQSZACIVSA-N 447.496 0.225 30 20 ICED CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 752141458 YNIRVFIVZAZHAO-GTMGWDBPSA-N 438.506 0.753 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 753666380 XKIYSAWWYZAPJX-HDICACEKSA-N 442.560 0.804 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756920466 OKLOKOJYEMXCBR-STQMWFEESA-N 425.486 0.503 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 759066245 VXTOERLREPVIRN-UCXBAENPSA-N 444.517 0.835 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 770303065 NHUREJRPHJYECB-UHFFFAOYSA-N 441.481 0.287 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 772121225 MMTAGJLUSQXWNH-UHFFFAOYSA-N 427.501 0.664 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C#Cc2ccccc2)CC1 773453114 JFWOWDKVSAYKAJ-UHFFFAOYSA-N 437.477 0.986 30 20 ICED C[C@H]1c2nncn2CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 792358642 SQHJHOIKCGGNPQ-SXNXEAAASA-N 445.505 0.633 30 20 ICED N#Cc1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 797015571 YKYDKNATLGETEB-UHFFFAOYSA-N 433.442 0.759 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 799766118 PMRVTZDQWSTHPQ-UHFFFAOYSA-N 428.308 0.698 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)c1 803404656 FPZYIAGLXQKPJE-UHFFFAOYSA-N 425.463 0.898 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c(Cl)c1 804061127 WLAFGZKYWUIGRM-IAGOWNOFSA-N 431.924 0.840 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)c1C#N 805411153 KTLRBBJPBVWVCI-WJOKGBTCSA-N 442.545 0.314 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 805983808 NOFUPQBEDZWILA-HUUCEWRRSA-N 430.486 0.911 30 20 ICED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815871187 DUJQSRSJZOYGEL-KDCJFMNISA-N 435.550 0.991 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(S(C)(=O)=O)CC1 1293097823 ZAARGDDGQBMSKM-UHFFFAOYSA-N 432.554 0.658 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1301677157 CJVIUDXIGZJBMM-MJGOQNOKSA-N 442.568 0.851 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1316127351 VMENEHGUAFWZQD-QFIPXVFZSA-N 425.537 0.652 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C(C)C)n2)c1=O 1317911519 JLDIBJYTQQRFCW-UHFFFAOYSA-N 448.570 0.498 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCOCC1 1510183796 WSPJCOIBGDFAKQ-CQSZACIVSA-N 426.543 0.560 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1517488555 XRHVACMAZRSOPN-OAQYLSRUSA-N 435.492 0.868 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1552385097 ZZTPXMLWGOPBQV-CRAIPNDOSA-N 448.549 0.996 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1619911997 NOMOOVYMDMFMPV-INIZCTEOSA-N 426.481 0.997 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706870789 IJNUPKNXSKQWQK-LRDDRELGSA-N 448.546 0.155 30 20 ICED CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1746495520 ULIMZXITDVTTMO-LSDHHAIUSA-N 436.538 0.215 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1765292365 RXKLXYIDIMJZCZ-HXUWFJFHSA-N 449.533 0.751 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1778118696 WWJGZSYHNACQJV-FQEVSTJZSA-N 438.550 0.182 30 20 ICED N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779064248 CFLIBMCEHOHPGF-YKSBVNFPSA-N 440.544 1.000 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C4(CCOCC4)c4ccccc43)C2)C1 1780936645 UKFXFTJEHXJUDJ-HSZRJFAPSA-N 437.496 0.545 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(CO)on5)CCO4)C3)c2c1 1782196686 CIHHYVNRKBADQQ-OAQYLSRUSA-N 436.428 0.672 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1783196931 CYLUTFXRYKJSAS-QAPCUYQASA-N 432.420 0.523 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1785379250 RZXKKPLGMBRVOV-JOCHJYFZSA-N 447.455 0.518 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1785572282 KGGYFQKNBDKUOR-JTSKRJEESA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032793 RNLDZSQOQNOXTM-IEZWGBDMSA-N 439.520 0.604 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788681318 SFJIKBSNPCUWNU-HITCNQOXSA-N 437.518 0.255 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(F)c1 1792676468 JUXYBCIPSDZGOP-IBRLJDPESA-N 431.464 0.896 30 20 ICED 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 1793342253 HWTNBGMODCEDIP-DCXXXQMHSA-N 448.541 0.397 30 20 ICED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)no1 1794061876 WCGLZOJBTGDXGV-VPTLXERWSA-N 427.436 0.764 30 20 ICED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796464148 XVNWTPSCOSRVAH-CEQLMSFQSA-N 426.517 0.853 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798484381 CJGYDAOPTILJTM-JTJHWIPRSA-N 431.920 0.980 30 20 ICED O=C(CNC(=O)c1cccnc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798491688 DGEBLQBMMIGGQY-NSUJRSGRSA-N 443.504 0.979 30 20 ICED 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)O)C2 1799232860 HAZONLUDEDRIPN-JCECYMMASA-N 437.537 0.654 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c1Cl 1801120353 ZSFFXRNKKBVRHT-VTEUUUEMSA-N 442.859 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSCC(=O)O)[C@@H]1c1cccnc1 1802496757 CZRNZUYGAVMKIC-BDGDHSELSA-N 446.529 0.764 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803914101 XNXMZZDNBUSGRM-TVTNDZMWSA-N 438.484 0.441 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCC(=O)OC)[C@H]1c1cccnc1 1806369601 LXCNWOADTNWGMT-HUFBTUHSSA-N 428.489 0.899 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807145480 LHNPTZJMWJPTER-FGTMMUONSA-N 443.552 0.816 30 20 ICED Cc1nc2ncccn2c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1809301233 NBMLHZYHFXWNBQ-UZLBHIALSA-N 432.440 0.840 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813576946 YWGSEUNLAAGNFQ-QRTVHMNXSA-N 449.577 0.994 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814054000 FLRKVJHQBSAPKV-GPXDLFJTSA-N 435.506 0.863 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1814218518 NZHUNRWUJLHCRH-BXWFABGCSA-N 443.504 0.489 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1814984404 UAJRCTSDYSLSFS-CYBMUJFWSA-N 443.533 0.594 30 20 ICED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815053724 QWXMDOSVHFAWAS-GJZGRUSLSA-N 440.529 0.762 30 20 ICED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1)C(F)(F)F 1819890705 KXWRPDYSUHMZTE-MEBBXXQBSA-N 434.440 0.824 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1830410918 WWBSFOMEPBVTKT-RDJZCZTQSA-N 435.525 0.959 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209155 SSXQJIVNRKIJQY-RDGATRHJSA-N 437.540 0.913 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831435118 LSBJXXQPTLKAJI-JTSKRJEESA-N 428.489 0.995 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831475559 NGBUNHFTNCMPJA-QHCPKHFHSA-N 449.548 0.056 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831496394 VXHQOCARJKDNFB-JXFKEZNVSA-N 438.550 0.690 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832471178 IGHICYGJKWPQPN-QPPBQGQZSA-N 425.529 0.913 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(-c3ccc(F)cc3)no1)CCO2 1832898410 BZBATNJCLWXZHR-JOCHJYFZSA-N 442.447 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)nn3C)CC2)CC1 1833463255 DDPRZEAMDVWNQY-INIZCTEOSA-N 431.537 0.652 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(OC)cn3)CC2)CC1 1833463704 UTMLODAMJOOYRL-INIZCTEOSA-N 429.521 0.709 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833469595 KBJHKFMWZLWTPF-IBGZPJMESA-N 437.585 0.134 30 20 ICED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cs1 1835099059 YIRKGNROAPQYCJ-NRFANRHFSA-N 426.498 0.847 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1835679367 FLWBEUUQORICMI-UXHICEINSA-N 433.597 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836052291 QWWDEDGUJRDQQI-AVRDEDQJSA-N 432.521 0.439 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)[nH]n1)CCO2 1836281176 WPNKREASWMTLER-NRFANRHFSA-N 434.493 0.552 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)cc1 1836848220 KUORIJPESVNZTA-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837396714 IXPIPEXVVDWLNB-YDHSSHFGSA-N 432.517 0.750 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1837400857 QAPJCWHQHGPQEO-HRAATJIYSA-N 436.509 0.072 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837737955 KGPDVSOFGCDEIO-JBYIUTFZSA-N 430.505 0.377 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838738210 XPAIIBYULQDSLK-ATKOVBFVSA-N 425.445 0.966 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838953232 VIANWNPXYXZAKU-PGRDOPGGSA-N 426.473 0.249 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839160638 LSNBYYBLIFJDDE-UTXAPGEGSA-N 435.502 0.078 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839666041 LXSWGLWSNFGAGU-KSFYIVLOSA-N 443.504 0.206 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839875899 ZQJYGOKWPZKIGJ-AOMKIAJQSA-N 428.489 0.082 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839875902 ZQJYGOKWPZKIGJ-ZHRRBRCNSA-N 428.489 0.082 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1)C(F)(F)F 1840203638 MSOYEHJRLNFQKV-AWEZNQCLSA-N 447.332 0.240 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497056 GGDKYQYEIARWJL-HPARJBSBSA-N 442.472 0.498 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)CCC1 1840813591 ICCNUJRAWINAHI-NRFANRHFSA-N 440.460 0.199 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842731684 FMDAPAYRFQHOAY-UHFFFAOYSA-N 444.528 0.938 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 409520822 MCGVNVOIKAYIHZ-UHFFFAOYSA-N 444.579 0.717 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 437051994 PYOIAIYSLDRLSS-OXQOHEQNSA-N 431.489 0.960 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 441936506 QQKBHRJJMLQRCX-LBPRGKRZSA-N 426.523 0.661 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 461657690 URBKOQJQNNVOGY-UHFFFAOYSA-N 430.490 0.641 30 20 ICED CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465420992 ZPIRTPOKNASVJV-CQSZACIVSA-N 442.501 0.818 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471063488 QPJPNSUKYFEDIM-UHFFFAOYSA-N 447.517 0.312 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 486829581 WEEGAGBOQKAZQB-CQSZACIVSA-N 442.501 0.068 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C 498986158 RKXKHCDHTBUABL-WOJBJXKFSA-N 434.562 0.326 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 501369727 FCMPVRVANOEEBZ-UHFFFAOYSA-N 429.521 0.940 30 20 ICED COC(=O)c1c(Br)ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1C 508326272 QHKSKYOXLQLINE-UHFFFAOYSA-N 435.238 0.762 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 508940999 FXDRFMMGFDGRET-UHFFFAOYSA-N 433.222 0.726 30 20 ICED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)NCC#N)cc2)C1 511057490 LKEUWXSQEOLFDW-KBPBESRZSA-N 428.536 0.271 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c(F)c1 512742691 BQKPWPCWVIKHDY-LJQANCHMSA-N 443.523 0.963 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523577699 CCJZZTZBFRIGFE-UHFFFAOYSA-N 438.509 0.796 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CC(N)=O 535585638 XQVVTFUYRFARMD-UHFFFAOYSA-N 442.884 0.600 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540559877 DBOAQKHFMDFLCX-IEBWSBKVSA-N 444.605 0.742 30 20 ICED CSc1nnc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 584862613 WPXHAHGQJUWHPW-CYBMUJFWSA-N 430.515 0.665 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)CC1 672355505 YYKKJECMWSHQBA-INIZCTEOSA-N 434.541 0.578 30 20 ICED Cn1ncc2c(N3CCN(CN4C(=O)N[C@@](C)(c5cccc(C#N)c5)C4=O)CC3)ncnc21 725768512 LJWJGMWWNSFTEH-QFIPXVFZSA-N 445.487 0.782 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 727755370 VPNRZJYAHHGLRL-MRXNPFEDSA-N 428.474 0.802 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 730071920 CTLWYVGUSWQZEZ-FVOSJULTSA-N 447.517 0.969 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 731851206 LXHMPRQJGXNNSZ-PEZBUJJGSA-N 446.407 0.783 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732561880 APEWEBAXHRAHDQ-INIZCTEOSA-N 426.498 0.706 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)C1=O 746231826 QUMQTOFJKHAQLU-HXUWFJFHSA-N 447.496 0.997 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 753900445 GQEPEPVMHYVZPZ-ZDUSSCGKSA-N 428.461 0.828 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 753989857 SDLHMYPNUHVNGG-MRXNPFEDSA-N 437.518 0.536 30 20 ICED CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(S(C)(=O)=O)CC1 758753123 OKCANXOSVZXQKR-ZFWWWQNUSA-N 429.543 0.811 30 20 ICED O=C(O)Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)nn1 759077881 ZYELOVHGMDHTNU-ZZXKWVIFSA-N 448.457 0.744 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)cc1 763437263 VESQKEMVBCGHKQ-UHFFFAOYSA-N 438.509 0.512 30 20 ICED C[C@H](CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 768735558 ZYJQEEQSSZJECC-CWTRNNRKSA-N 425.507 0.713 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771438557 IUVGIQIYASCUJY-LRTDBIEQSA-N 446.460 0.714 30 20 ICED COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)c(O)c1 771569994 VJOQASSZWYUGOE-GOSISDBHSA-N 447.469 0.860 30 20 ICED Cc1cc2c(c(C)c1Cl)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2 771897578 PPTADIWAXINBOC-UHFFFAOYSA-N 426.882 0.819 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)CC2)cc1 776327604 LGGUUVNOBYYXEM-OAHLLOKOSA-N 444.435 0.944 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 789115243 CVUYNOXETRARJN-SGTLLEGYSA-N 434.474 0.787 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 794645041 LUVUDHLQJHMHFK-UHFFFAOYSA-N 429.448 0.842 30 20 ICED COCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 796485224 IUDSVFGGKKPRKZ-HZPDHXFCSA-N 444.554 0.093 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 799286001 FFTYJLYUOXRZNO-MRXNPFEDSA-N 437.518 0.699 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)ccc1F 804555705 SXWIZYMXBFEDBF-YJYMSZOUSA-N 438.481 0.883 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@@H]1CCCO1 804734723 XGIBAHFWXQSKPQ-CVEARBPZSA-N 441.575 0.734 30 20 ICED C=CCOCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 815180150 ARMDXCGQPJGTSF-UHFFFAOYSA-N 440.518 0.904 30 20 ICED Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)c(=O)n(C)c1=O 884269054 BJKVEVPHUJWBRN-YFHOEESVSA-N 435.458 0.123 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c3ccccc3)CC2)o1 915374994 HTKJFAIZRDYKOV-INIZCTEOSA-N 440.460 0.846 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 918898508 VJXVAXQPELZNGU-UHFFFAOYSA-N 439.490 0.635 30 20 ICED CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1=O 1295939231 TZEKWNKULIQDAM-SFHVURJKSA-N 438.536 0.823 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1302507322 WZOLVEQTAXBNQV-SFHVURJKSA-N 433.469 0.720 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1314645520 YVUJDLYUWPNGFD-JOCHJYFZSA-N 439.520 0.178 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N=C3NS(=O)(=O)c4ccccc43)ccc21 1323009294 ZENLGRXGKYLWJD-UHFFFAOYSA-N 426.454 0.591 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)ccc1F 1335698655 PYPUDHPZZYJNMI-UHFFFAOYSA-N 440.456 0.875 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2=O)cc1 1448843990 KSZIPHNWTZLKCZ-OALUTQOASA-N 431.452 0.916 30 20 ICED N#CCCN1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1467766249 METQATGNKRHQHU-UHFFFAOYSA-N 435.550 0.589 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1521063058 MEAZGVQKVIJHBQ-RHSMWYFYSA-N 444.558 0.603 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1547781527 PPTXFVBZGOPXPV-QGZVFWFLSA-N 441.521 0.626 30 20 ICED COc1cccc([C@@H]2[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC(=O)N2C2CC2)c1 1630030880 ZXPAVWDYWICBPL-IEBWSBKVSA-N 437.456 0.698 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1706070784 NZHYTYXMNWZWER-UONOGXRCSA-N 425.559 0.933 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1=O 1712487474 XGIUIOMFVHPGMY-UHFFFAOYSA-N 446.533 0.546 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1712886105 IVYMGDYROWBENO-XLIONFOSSA-N 447.517 0.178 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)C 1722477715 KMHLGFSBNGFNTF-LLVKDONJSA-N 437.364 0.758 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)C1CCCCC1 1761502363 YMJDPXTWNCUNMO-ZSZQSSIHSA-N 440.570 0.948 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1762413416 KEMSEEOCFRZIKF-CABCVRRESA-N 428.559 0.758 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1770343612 OPPYAMAPJAMSFB-RDTXWAMCSA-N 439.517 0.380 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)CC1 1778266502 IWZQDIDVFJPEAZ-QHCPKHFHSA-N 425.533 0.444 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccnnc1O 1779964852 JZKKFGVALXMKBN-CFHAIPRRSA-N 447.492 0.839 30 20 ICED Cn1c(=O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc2ccccc21 1780335480 XJCNAFOQVACXNJ-HSZRJFAPSA-N 446.467 0.891 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CNC(=N)N)C4)c2c1 1781205042 VOLKXPMZTGGLCK-IIBYNOLFSA-N 438.492 0.045 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781541762 QCOYKBWMLHVWCN-DRSNIGMVSA-N 435.521 0.812 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560867 KTMZUNYECPNSIL-IIBYNOLFSA-N 445.476 0.820 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1782193955 QJEFKVFOQJKSMS-VGOFRKELSA-N 430.505 0.575 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)c1 1785084309 RKIRVQDWRBNWMM-QRQCRPRQSA-N 442.472 0.300 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380676 XQQXDWWZKYSPML-ZHRRBRCNSA-N 443.504 0.475 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786261319 DDSTYNSJLLPGJB-CLWJZODNSA-N 441.532 0.988 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)c1ccccc1 1787092850 ZWTMUNVCHOCOHW-WOZUAGRISA-N 436.516 0.850 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccn4n3)[C@H]2C1 1787844752 PTXNJRQUXVYSEF-ULPAQXSLSA-N 437.500 0.786 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)c(C#N)c1 1789839571 IGYZQDXDLZPSEQ-KNTRFNDTSA-N 440.500 0.368 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C(C)C)n3)C[C@@H]21 1789892398 ODRCSXPYJVFJMJ-ULQDDVLXSA-N 433.509 0.962 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1)n1cnnn1 1789908248 OXVMERTWVHMPQC-CJCBUOBESA-N 441.467 0.467 30 20 ICED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)cc1C#N 1792059067 CGPTVIBHUWUWQE-IEZWGBDMSA-N 443.504 0.607 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1792967826 HZCZQJWGEWRHJD-LROYCAGSSA-N 434.537 0.637 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429343 ZQDFNHKDXJZYLY-CWPLJXCYSA-N 433.530 0.882 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1795600630 BPAQQEUAKVJUQF-UPHUGPLXSA-N 438.532 0.908 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cn[nH]c2cn1 1797580855 VRUCPTYVBQGFNH-CCWDJLKJSA-N 427.461 0.671 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741885 GFDMSAIQJUPETQ-AYWDWDCISA-N 428.537 0.943 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)N1C[C@@H]2C[C@H]2C1 1797784062 IAISRRCYIJALTG-ZJICWGJPSA-N 429.561 0.615 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2 1797814839 ANRGRXVJLXNOOH-XXYRZKQNSA-N 437.884 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cnc1Cl 1798044919 XBSAEIQALZSBOU-YOEGPNAJSA-N 436.871 0.936 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1ccnn1 1800269128 MKBDCTHBEYNHTB-LJGDNWOOSA-N 434.460 0.490 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(C)=O)c(O)n1 1800537287 GOTSHHJEQRXXMM-CWPLJXCYSA-N 430.505 0.635 30 20 ICED O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801257879 HUMLULCGDFOPGO-UPHUGPLXSA-N 427.892 0.963 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1801995697 LUMFWIUUFXJMJL-UPHUGPLXSA-N 446.467 0.883 30 20 ICED 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]1CCCOC1 1802076271 IRDOKKNWIMEHDV-UJWQCDCRSA-N 449.548 0.919 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804086808 BGEGTVRPQYCLPX-WBAXXEDZSA-N 433.534 0.594 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807047801 MHDFQPLROLYCLD-VYCZESIESA-N 432.525 0.481 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810225983 YPVJDNLPUZDOOT-HTAPYJJXSA-N 446.467 0.914 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814230584 MIBZZJHJZZQALO-DYESRHJHSA-N 436.472 0.706 30 20 ICED COC(OC)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828563199 BTCSAJXLKGYRCR-QFIPXVFZSA-N 444.488 0.971 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829712960 HIOSLHVWPCQTJZ-UTKZUKDTSA-N 441.594 0.065 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)no1 1830056495 BKBLVUDFJDLAGR-FQEVSTJZSA-N 433.465 0.318 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831397196 VIMKZZHOKJCVTA-WMZHIEFXSA-N 432.517 0.180 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1831402834 SZCSZNXIQRQESJ-HXOBKFHXSA-N 443.500 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1831403046 VPVBBBGQVGARGP-WZONZLPQSA-N 429.517 0.854 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831404426 NNJJQBDKSSBAPT-OAQYLSRUSA-N 425.526 0.340 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1831406769 DPRPFYWUIWDPQV-QFIPXVFZSA-N 432.521 0.848 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831421709 PLYIZBOOVNKEPM-YCRPNKLZSA-N 437.468 0.890 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831478034 KCPUCQYZPPCSJX-FOIQADDNSA-N 426.514 0.158 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832370769 MCCKVUPBWKJZSE-NRFANRHFSA-N 436.509 0.034 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832408279 YOLSBJOZKLVIPH-WMZHIEFXSA-N 435.565 0.602 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1832456392 QFKDOVADYVJYRB-FQEVSTJZSA-N 431.518 0.947 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4COc5ccccc5O4)CCO3)C2)CCC1 1832502985 XPCUMDQFMGXMKL-CVDCTZTESA-N 441.484 0.977 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834391120 OBOTYPYUGWWCHT-QHCPKHFHSA-N 437.500 0.995 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C1CC1 1834753631 NEUOSQJSJOZLJE-NRFANRHFSA-N 436.509 0.756 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835672521 DHJMTPWLCBCHTQ-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)NCC(C)C)CC2)CC1 1835716143 YTUKALKURMAQLX-IBGZPJMESA-N 436.597 0.903 30 20 ICED CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837268845 QXNYMQXYDPYKGK-PFSBYRDKSA-N 429.473 0.944 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c(O)n1 1837564448 PQQCEDNDPJRTPQ-JBMWNJKUSA-N 442.472 0.878 30 20 ICED CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837598446 AXMGXGGADRPRIC-CVDCTZTESA-N 436.549 0.955 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837428 BUCQDLVVDCPSHF-WNBNNUDTSA-N 447.879 0.912 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838737564 ZHJNXTDAAFWKGF-RXVVDRJESA-N 432.477 0.544 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838805499 NVZWLRFVYCROPO-QFIPXVFZSA-N 440.456 0.731 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1838908380 WXLFMCPPLVGPOM-WIYYLYMNSA-N 447.513 0.205 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CCCN1 1839119391 DBKGKEAXNFKOLL-DHIUTWEWSA-N 426.517 0.699 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839685191 JEWDJGRKOFMUFB-QINHECLXSA-N 443.497 0.805 30 20 ICED COc1ccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1840075333 CAYHURLNCGUPTL-YXMLYAQVSA-N 446.431 0.392 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840163888 RDDDYMXZJCIYQP-FOIQADDNSA-N 431.518 0.656 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361264 USZDXWIYGAFNBS-IIBYNOLFSA-N 434.562 0.890 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1844332343 BOLVSOKFIDQMJX-HNNXBMFYSA-N 427.509 0.080 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 16520642 VFTUREGQLQGUSS-UHFFFAOYSA-N 425.467 0.221 30 20 ICED C#CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 23370781 UDRKETZZZWWLOQ-CYBMUJFWSA-N 436.563 0.919 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)cc1 105457558 OXFBHWWPMNICMA-LBPRGKRZSA-N 435.458 0.273 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1 427657972 UHBMXIGOOSBHCP-IQRCRDAHSA-N 447.470 1.447 30 20 ICED COc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 430362384 WJCZHCMWVZLYNY-CQSZACIVSA-N 436.490 0.511 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 460678641 ZAADVMRQCPDCLC-OAHLLOKOSA-N 449.431 0.319 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 465417188 MOWCQJXABZDKJV-CJNGLKHVSA-N 437.522 0.767 30 20 ICED CCOCCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 469840200 WVECVZWPFWGWGB-UHFFFAOYSA-N 438.550 0.376 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCCN3C(=O)CCC3=O)ccc21 471063166 ZOQBGTWWTOWZQE-UHFFFAOYSA-N 439.472 0.863 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(CC)c2=O)cc1 488117642 LBXXOQMRGDQEMO-UHFFFAOYSA-N 445.566 0.252 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(Cc2ccon2)c1=O 489027960 UMUXAFSTSOJACZ-ZDUSSCGKSA-N 425.470 0.271 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 489191872 NSGNTOFDYNWNFG-QGZVFWFLSA-N 425.532 0.500 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500886412 GHKRKEFMGVWTTA-ZJUUUORDSA-N 439.266 0.832 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 504562886 GYDKPNMYEOVJCW-FQEVSTJZSA-N 449.515 0.248 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2cccc(C)c2)c1=O 512747373 RUHSCGSIAPJTGS-UHFFFAOYSA-N 449.536 0.786 30 20 ICED CC1(C)C(=O)NC(=O)N1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 522846712 QRVDHNALCJFXMO-UHFFFAOYSA-N 427.440 0.844 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1-n1cnnn1 530467426 VUARBYMEWBJCLC-UHFFFAOYSA-N 434.464 0.172 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 540260743 LIYGRLQBRJSXNL-CQSZACIVSA-N 440.526 0.053 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 541139409 RZPANBKCDDRGFX-UHFFFAOYSA-N 438.897 0.781 30 20 ICED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O 543817289 YNZPCLAWMBLFIA-JTQLQIEISA-N 436.303 0.896 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 550808293 UMIWYDVAJFLIHN-UHFFFAOYSA-N 427.505 0.255 30 20 ICED C[C@H]1[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@@]1=O 562899407 IARDUNHFILNPGQ-FYCBBRDGSA-N 438.575 0.232 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)n1 567153398 YUEDWICPUKNTOP-RBUKOAKNSA-N 437.504 0.962 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC1 580809230 DJUHRFBKPSQAKH-FQEVSTJZSA-N 436.534 0.834 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1F 581762070 HFWKMKITRSRZQR-UHFFFAOYSA-N 439.494 0.975 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582456779 JXGXEIULBRYRRI-HNNXBMFYSA-N 425.449 0.173 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 583965653 PZVPWYQNJNSTJU-UHFFFAOYSA-N 448.386 0.792 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCOCC1 585701098 CROHDEJHWHRNQG-GOSISDBHSA-N 444.536 0.545 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 590995593 LQOAKWMUXJNIDY-UHFFFAOYSA-N 430.555 0.420 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1=O 591107667 DWNVFJAZMNREHU-UHFFFAOYSA-N 448.379 0.443 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccn3)c2=O)cn1 608884259 WMQMPPCFOHKNBL-UHFFFAOYSA-N 435.509 0.973 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 615379883 ZZDZUCCGVTZCCF-CQSZACIVSA-N 434.522 0.252 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 673419559 IVTQPJKTBBTUMS-CYBMUJFWSA-N 438.326 0.468 30 20 ICED COCCN1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 729068896 BLCWCXCJHAXOAO-RYUDHWBXSA-N 432.389 0.508 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730722366 ATLJHGITPSYJJH-CYBMUJFWSA-N 441.473 0.282 30 20 ICED C[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1c1cnn(C)c1 742911681 NAJSTXFEGFXGEU-DOMZBBRYSA-N 430.490 0.159 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C#N)cs2)c1=O 748643600 AWEQQUSLPHLMLS-UHFFFAOYSA-N 446.579 0.568 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 755551590 MKZORDMLWPOYAI-JSGCOSHPSA-N 426.437 0.476 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OCC)c2)c1=O 758077469 WJGJOCFVHQRENW-HNNXBMFYSA-N 425.510 0.596 30 20 ICED C[C@@H](CC(=O)N1CCN(c2ncc(F)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 759413245 IHDKDDUDFHWWRS-ZDUSSCGKSA-N 432.481 0.782 30 20 ICED C[C@@H]1CC(=NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)NO1 765374701 BBWTZEQGCZFBJF-CYBMUJFWSA-N 426.470 0.677 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cncs3)c2=O)cn1 767885199 ZOAZBZZORBMOAD-UHFFFAOYSA-N 428.543 0.847 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 768971961 KESLTMQXBXCKRR-CVALACBASA-N 429.524 0.394 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CC(N)=O)c2=O)cn1 772316520 SEXQSBNEPWSVCE-UHFFFAOYSA-N 439.884 0.731 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1F 775821049 WDUIOBAJPBNHJS-KSSFIOAISA-N 446.522 0.756 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 783481964 SFOLUBULBHHJLG-QKLQHJQFSA-N 447.557 0.883 30 20 ICED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786533555 FULISUJNAOSVPB-BMFZPTHFSA-N 437.905 0.701 30 20 ICED N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 787061177 QODDDQRTDBJLIH-OAHLLOKOSA-N 429.414 0.417 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)s1 787727204 XMZGHBISQDOOTH-LLVKDONJSA-N 442.519 0.157 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)o3)CC2)o1 796142940 UHGVNQVFHLGPFC-UHFFFAOYSA-N 440.368 0.301 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 799261309 XHYOEXJXIIDDHJ-CRAIPNDOSA-N 447.513 0.192 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 799939850 PDCVYKHZLYJXII-CYBMUJFWSA-N 429.473 0.345 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807936536 OJCRFBJEAJREPH-XBIZFVAMSA-N 438.575 0.885 30 20 ICED CON(C)C(=O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 813027460 XLXICKVBMLJSKR-UHFFFAOYSA-N 425.449 0.395 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 838249886 ZOXQTRCKUIAMLW-UHFFFAOYSA-N 449.916 0.966 30 20 ICED NC(=O)CNC(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 915201585 UNMOYAWQRQXUAK-UHFFFAOYSA-N 443.485 0.359 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 915477310 WLKJJDIEQZLAPP-KSMMKXTCSA-N 425.507 0.945 30 20 ICED N#C[C@@H](C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1)c1nc2ccccc2s1 917085469 RMLIJJBTTVDHNG-INIZCTEOSA-N 427.530 0.949 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CCN(C)CC1 920398712 IXAKHEPWKMBIFF-UHFFFAOYSA-N 440.573 0.332 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@H]2COC3(CCOCC3)O2)cn1 1116480869 URDDOUGKDFFPJV-GJZGRUSLSA-N 437.522 0.893 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1314529482 GJUSIDFFFQIHFC-GOSISDBHSA-N 430.534 0.772 30 20 ICED C=C[C@@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1321256159 FBMDJXCHMSTQCG-HNNXBMFYSA-N 436.534 0.844 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1515315668 SCVGNQBGRGUPAO-INIZCTEOSA-N 425.493 0.909 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccc2F)CC1 1570696051 ZZUQQYNTZPSXIO-IBGZPJMESA-N 438.481 0.169 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)n1 1693432592 WSVVJSCXRXAJTA-INIZCTEOSA-N 433.538 0.693 30 20 ICED CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1723119719 YVNNHVNCOSOURL-JKSUJKDBSA-N 438.554 0.776 30 20 ICED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729312063 MOTKFCGJIUIRFS-GOSISDBHSA-N 437.504 0.938 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1749083863 LOXJJOYIZHYQCU-ABAIWWIYSA-N 449.375 0.759 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1760667019 QNPWYMWBWACIFG-IBGZPJMESA-N 440.504 0.700 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1760695746 MXORVWILRWWGSI-VSGRFQRGSA-N 444.583 0.118 30 20 ICED CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761567101 MUCGJRUAPULVNJ-HNAYVOBHSA-N 440.545 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779229942 SJXNODMTCFGMKY-WJGWRPCBSA-N 433.549 0.908 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)c1 1780335940 RBTHBRJEDNZJQD-QHCPKHFHSA-N 434.500 0.727 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1781400583 NNHXSULXJCZQEQ-XOBRGWDASA-N 430.465 0.679 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1781966100 HTBUPTWFEUWEAZ-OAQYLSRUSA-N 439.403 0.943 30 20 ICED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CC2)C3)c(=O)nc1O 1783116548 QSFCCAAASIXMNQ-QVKFZJNVSA-N 429.477 0.075 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783395043 SBWQBPKHKZZQJY-IZRJCCQOSA-N 436.509 0.199 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382025 NDWPQXCQKSYENH-UWJYYQICSA-N 433.530 0.881 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n(C)n4)[C@H]3C2)c1 1785595682 XFEARYADPPVZLI-FNHZYXHNSA-N 439.472 0.913 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21)C(=O)O 1786899086 VRGFWPWLYHECTG-QZHFEQFPSA-N 444.488 0.223 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21 1788661298 KBOPKZYVFNYCBS-KODGEYDBSA-N 431.493 0.932 30 20 ICED C=CCC(=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 1789810015 NNXHQPHPNWHAHE-JCECYMMASA-N 437.537 0.770 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nsnc3NC)C[C@@H]21 1789891504 OAGOVYOCMVHXPN-IHRRRGAJSA-N 437.522 0.683 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1)C(=O)O 1790271411 PVJHZDFBXXELFT-KANFNMMFSA-N 428.489 0.523 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790572196 XWJCDYGHDBFIIY-VGWMRTNUSA-N 426.583 0.023 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C[C@@H]21 1791077191 OMDVTUNENHDBMG-IHPCNDPISA-N 436.468 0.613 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791123669 VRFOCERYRBTDJX-VMDVDIMUSA-N 435.521 0.360 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1793342232 BUTMDQAMLRBTKN-JFILPPLUSA-N 426.395 0.737 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnco1 1793567598 CLBOZUYTOOLDNL-JYYAWHABSA-N 432.477 0.794 30 20 ICED 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)CC1 1795411305 DFGPNMCZEKWCRL-IVSAIRAKSA-N 436.509 0.155 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(=O)OC)nc1 1797029673 VGOJJEHRQKGIPF-KHVGYNOKSA-N 426.473 0.978 30 20 ICED CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)CC1 1797818082 HKNJVJFFZFOJMA-FWGWEOLLSA-N 436.553 0.837 30 20 ICED C#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]1CCCOC1)C2 1802127881 ZGCHFLNWAUZRKI-ZSXDVEMLSA-N 449.548 0.919 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1804192310 MCVCGEGKXHFZKS-DENIHFKCSA-N 444.557 0.231 30 20 ICED 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 1804374649 YQOBKVISEDHNSK-JJTUDDRGSA-N 449.552 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2ncccn2)[C@H]1c1cccnc1 1804687932 WLRAIDCWWNGLKP-NBBDWSPISA-N 434.500 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810249708 ODBUHQCPUMEHPT-LWYYNNOASA-N 446.548 0.311 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813576942 YWGSEUNLAAGNFQ-LWTMIWEOSA-N 449.577 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1814435818 DQJGPPLMKDQZJN-XHPSBEMXSA-N 428.497 0.100 30 20 ICED C#CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815856038 KIHNNMPTVRWFSZ-JTQLQIEISA-N 433.515 0.934 30 20 ICED CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1817016148 MBPWMPJSWKMDEH-NEPJUHHUSA-N 435.554 0.784 30 20 ICED O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC3(O)CCCCC3)[nH]n2)=NN1 1819341362 DBHOOVBDOAFTTD-INIZCTEOSA-N 426.477 0.976 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)CNC(N)=O)CC4)c2c1 1823895876 HEDFQBKYJYQTDF-JTQLQIEISA-N 438.473 0.785 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826030632 BDDMYJGTVOEPND-GLXFQSAKSA-N 436.563 0.844 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC)NC(N)=O)CC1 1827557573 GMRJKQPEJAKCPB-ICUWKNINSA-N 433.553 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1829759200 AWHVINHYONHRQA-YAAATUCXSA-N 441.475 0.737 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)cc1 1829900475 FRGIJYNKVZBDAQ-QHCPKHFHSA-N 436.468 0.972 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831486761 GVBXTNLBQUJZGC-VQIMIIECSA-N 440.591 0.980 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832675476 KLGZAIVHIOKQAS-JOCHJYFZSA-N 445.520 0.199 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncccc3C)CCO2)C1 1832773523 FKPFAORDTMTZMV-AUSIDOKSSA-N 429.517 0.817 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1cccs1 1833027501 OTJWKIOREUBKDZ-OAQYLSRUSA-N 431.514 0.348 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833198793 IDSALHNDHNIJGW-RXGUQILOSA-N 446.552 0.447 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834774730 YIXQBIVUDQTVHZ-ABUVZIHVSA-N 436.509 0.034 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835100459 UCUFLMSWDFPBQN-NRFANRHFSA-N 439.428 0.440 30 20 ICED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ncc1[N+](=O)[O-] 1835188557 ZQISRBIDWWDPGZ-UHFFFAOYSA-N 443.460 0.571 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2)C(F)(F)F 1835707889 SYMXBQBWMOBUDO-QAPCUYQASA-N 428.411 0.656 30 20 ICED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765443 JSFUIRGBYNEOKF-VQYZLWMVSA-N 437.541 0.223 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)c1 1835858208 CFCCWFAMLPOFCS-HXUWFJFHSA-N 429.408 0.510 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1836280181 WVNWFRIBUFLUPW-HSZRJFAPSA-N 444.532 0.741 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836868131 HYUSZZMOPRCYKW-VGSWGCGISA-N 439.553 0.227 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1837310869 ZFIZKLMSQAOCRS-KNKQGSTJSA-N 437.537 0.362 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837399145 NJWICMPCQDBWJE-XXBNENTESA-N 446.548 0.863 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440110 CLPSFJXXYASIHL-SGCYSOCQSA-N 429.521 0.932 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837447848 VHAZNOFVMZQEKF-CAAKBRFNSA-N 430.509 0.351 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487186 ZQANHUCNSRLPKU-AUSIDOKSSA-N 434.533 0.733 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837533297 OAKIQLKSSWFFEV-JETGKSLASA-N 439.509 0.398 30 20 ICED O=C(CC[C@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567408 JIEXUTIVAKKWGE-ZWTIIMOHSA-N 433.505 0.972 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968648 FVMXQKBYBFONOE-HSZRJFAPSA-N 446.500 0.541 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CO)c(F)c4)C3)C2)c1 1838743025 XUIFXQWLAVAZLI-QFIPXVFZSA-N 442.447 0.902 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839225598 NYFYRQWOEIOJIY-BCSOALRTSA-N 431.555 0.402 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839681201 HYABXLKRUDMCNX-GUXCAODWSA-N 428.482 0.596 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1839842752 FSQAGKZCUSVBNJ-HOIFWPIMSA-N 445.520 0.264 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839889982 BEWSJWNJWBOOKG-IBGZPJMESA-N 440.447 0.947 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840165572 CEOSXAKRDPZTID-BFUOFWGJSA-N 439.490 0.992 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3cc(C)cn3)CCO2)C1 1840405240 MMGRLVQWRFMZCT-KGVIQGDOSA-N 434.537 0.782 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434677 IQVPXOUKZJFSOJ-GCJKJVERSA-N 432.521 0.074 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436856 BWGJUYUYKDKTBK-PGRDOPGGSA-N 449.552 0.837 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1840465250 MLIZYSFEKQWAPA-FFCJBUTOSA-N 429.477 0.131 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818772 WRZODQRUDJPVKQ-JTSKRJEESA-N 431.489 0.676 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840842415 FQGRDYSJEUHZDG-JOCHJYFZSA-N 427.457 0.501 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 104539398 ZCTURGRNMININT-KBPBESRZSA-N 439.490 0.653 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 106044143 ZWYRZWLDSKRGLW-IAGOWNOFSA-N 435.550 0.858 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(C1CC1)S(=O)(=O)N(CC)C[C@H](C)C#N 410128650 UIVQUBUTOVZGRW-JKSUJKDBSA-N 448.615 0.493 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 428209458 QWVQLFQIYFCCMY-XJGJGRCOSA-N 428.518 1.333 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 430410893 XXZZQGVNTCVICD-MDZRGWNJSA-N 433.509 0.679 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)n2)c(Cl)c1 437332773 AEMJUTMJRRXTGE-GFCCVEGCSA-N 436.881 0.615 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1F 440390047 YGVVECCWMNXENE-UHFFFAOYSA-N 438.440 0.768 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 441700773 MABRCHGHTJCGCJ-UHFFFAOYSA-N 445.483 0.941 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 447809432 YXQIXZUPIREHGJ-ZCNNSNEGSA-N 430.505 0.715 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)ccc3OC)c(=O)n2CC)CC1 461345781 UGOVFIGDNRMTDK-UHFFFAOYSA-N 444.532 0.745 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 463692372 DWLBHVCSZPCFEO-UHFFFAOYSA-N 440.503 0.867 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 491171094 IVEVNTUMMNKXCH-UHFFFAOYSA-N 436.534 0.927 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 492542952 YDDBAUUIOGBMOO-UHFFFAOYSA-N 447.455 0.578 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cnc21 512145510 XTEQJSQCSHAZFO-OAHLLOKOSA-N 440.485 0.433 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 513977908 BGFKIVPKIFBBLF-IXFSTUDKSA-N 425.533 0.805 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1Cc1ccon1 531684023 SAVYARYXKXCDBH-UHFFFAOYSA-N 430.873 0.857 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)CC2)cc1 538223372 KMAWAQOIIDMSGD-MRXNPFEDSA-N 429.506 0.878 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 538670332 YHHRQRSHOJYWCR-UHFFFAOYSA-N 436.468 0.984 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] 541146308 JFKNQWQANBBXMU-LBPRGKRZSA-N 425.405 0.941 30 20 ICED COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 541627406 WWQGVRKZVBWZNL-QGZVFWFLSA-N 432.502 0.961 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 550197365 NAGLYRMSKRPING-UHFFFAOYSA-N 443.441 0.450 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 561898817 WTRFYTWNWOTXOL-INIZCTEOSA-N 438.488 0.797 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC1CCN(CC#N)CC1 609338432 FLEGDDNUSCHCRG-UHFFFAOYSA-N 437.522 0.826 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C 610503682 QDVOCBSKVHHRGS-UHFFFAOYSA-N 443.554 0.351 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 728534974 YQBYBDVTNUKDAP-GQCTYLIASA-N 427.242 0.791 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CC(=O)N(C2CC2)C1 729191415 QKVQOWHWIACDNH-AWEZNQCLSA-N 438.440 0.920 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)s1 731203501 KIKSURUMPZHGJK-UHFFFAOYSA-N 435.571 0.836 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cc1 743936045 YHPSQJNIKAGOMC-WKRZDEFASA-N 448.505 0.021 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cccc21 755547560 PCKCPZNORUILPP-AAEUAGOBSA-N 429.433 0.945 30 20 ICED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1C#N 758866771 IHASYNUKGMFXID-FQEVSTJZSA-N 440.416 0.438 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCCNS(=O)(=O)NC(C)C)ccc2c1=O 760623491 ORAXVADBUBRFME-UHFFFAOYSA-N 425.536 0.433 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762297184 XNKGVKHHXKYKEG-IFXJQAMLSA-N 442.497 0.924 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCOc1ccccc1 767625261 ATCTVSSLTHAGCM-HNNXBMFYSA-N 431.470 0.963 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CC1 767890474 BOVCZONTSDGCPP-UHFFFAOYSA-N 429.477 0.629 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cccnc2)ccc1F 773066956 AJKLKGOGTDEELM-UHFFFAOYSA-N 442.494 0.393 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCCC1 779320347 WGTCQFKINDBOBP-UHFFFAOYSA-N 430.486 0.588 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 783462986 WSXKPLHZENKRFU-UHFFFAOYSA-N 447.495 0.749 30 20 ICED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 786549733 SEHFXHMIBWOOTG-JKSUJKDBSA-N 430.486 0.486 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCSC)c2=O)cn1 794642614 MEZZHNCYRCXMBI-OAHLLOKOSA-N 432.571 0.988 30 20 ICED C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 798805291 GTSZAPBMAKLDHT-UHFFFAOYSA-N 432.502 0.143 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 804497059 UNAKOXFKVNUWPY-WBVHZDCISA-N 427.548 0.436 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c(Cl)c1 806712860 DCKRXKMUGAKSFT-MRXNPFEDSA-N 448.907 0.899 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3c(nnn3CCOC)C2)cc1C#N 815814593 NWSLJKCTNSADRC-UHFFFAOYSA-N 441.448 0.888 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916871419 VRJRMRNAFBUQEG-SFHVURJKSA-N 432.502 0.821 30 20 ICED COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OCC(N)=O 917185855 AKTTWRAVTRMURT-UHFFFAOYSA-N 432.458 0.627 30 20 ICED C=CCN(C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C)[C@H]1CCS(=O)(=O)C1 1116353124 GABTZJVLIMARJT-AWEZNQCLSA-N 430.494 0.066 30 20 ICED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116493999 QUPPTINIRFKMKM-ULQDDVLXSA-N 428.445 0.942 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@](O)(CC#N)C3)CC2)cc1 1163162234 DSERPCGTCGQISH-NRFANRHFSA-N 448.545 0.485 30 20 ICED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1287218196 OUSJFGGBODTKBV-KRWDZBQOSA-N 448.553 0.686 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1305117747 NBMVSQUEAOYFQI-OAHLLOKOSA-N 437.504 0.766 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C(C)C 1314388874 QNACZWQABMTAGI-UHFFFAOYSA-N 443.556 0.827 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359473826 IUFGTCGDHWKQOF-RDJZCZTQSA-N 433.538 0.845 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCS(=O)(=O)CC1 1513918160 OSLHNMHUFOPXFZ-UHFFFAOYSA-N 446.581 0.906 30 20 ICED COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555235981 XASAFNIWHZFRAU-OWCLPIDISA-N 439.524 0.888 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)c1C#N 1625299704 NKSVUINHAMSTSN-KRWDZBQOSA-N 431.541 0.800 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c(=O)nc1O 1641034174 SQUCVVUHYBGXIQ-CQSZACIVSA-N 447.398 0.843 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 1641699171 UHRQWWGIBFDORF-KRWDZBQOSA-N 440.891 0.929 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1698059201 UHHFJUGDPWBPFF-QRWLVFNGSA-N 429.481 0.832 30 20 ICED CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723089415 CDACPQYVRZNNLV-WBVHZDCISA-N 449.581 0.129 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1744092222 ZHJDAZBKINQKQA-SFHVURJKSA-N 442.568 0.899 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1761543380 OXAZFBFQYSHJOS-FQEVSTJZSA-N 425.497 0.797 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1769129385 USXAJYVKUCSUIR-AWEZNQCLSA-N 433.538 0.526 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1769845385 MTWLWGBTHJASDM-INIZCTEOSA-N 434.522 0.999 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1778099074 LCOMBPPEVSOKNX-OQBWYENPSA-N 444.513 0.877 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774092 KSTCFTBFXPFXOM-NRFANRHFSA-N 425.493 0.683 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778782414 WKBTYGCPAUXTJZ-DRSNIGMVSA-N 437.537 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098955 NAKLWIFGQIIBOW-NVZDELEQSA-N 434.493 0.204 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C2 1779329844 DIGVXAMEURFBFW-JXXFODFXSA-N 430.567 0.508 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779333556 DVGZRJZKOVFNBP-GSHUGGBRSA-N 433.505 0.786 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1781271630 ZGDYRADPMOTTEG-NRFANRHFSA-N 432.477 0.454 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1781395438 ALIQLXISGWVBKL-VGSWGCGISA-N 447.536 0.918 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1782015231 BUYXOKDWYUSPNL-DYESRHJHSA-N 447.419 0.878 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cn5ccccc5=O)CCO4)C3)c2c1 1782195941 LYIVJYNXRLMMIS-QHCPKHFHSA-N 446.467 0.740 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]13CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C3)CCO2 1783056316 SXFSMIIZIAREFT-MQNAVGNWSA-N 447.532 0.866 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(C#N)c1 1783178801 QJULQMCCGHRILP-OYHNWAKOSA-N 428.489 0.464 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783344877 XQEQADFESPPCNE-IEJJDJDMSA-N 428.533 0.892 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783602652 ITIKURSNEMLJBC-VFNWGFHPSA-N 439.509 0.849 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1 1783890055 NYCJMUDPMDUSSY-KXBFYZLASA-N 426.560 0.917 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1)n1cnnn1 1783917664 SWUMGSIHRKINTE-TTYHFUOFSA-N 437.504 0.718 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783923536 JNIZCVXVYIWOLS-GOTSBHOMSA-N 443.500 0.937 30 20 ICED CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)o1 1785887095 YENUMTGWPFHQNW-QBESIMBKSA-N 432.525 0.806 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]32)c(C#N)c1 1789843515 RJPSNYGFQPBIDH-KAKWUFLPSA-N 442.516 0.614 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796426046 GMWVQSOSVOHIEJ-IEECTRCBSA-N 430.477 0.590 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818718 ZRLCGXUFRZTSIV-PCYHYHJXSA-N 438.525 0.410 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1799394162 ZWRDDMLOAPYOCR-AFIMGQEJSA-N 432.477 0.857 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800178915 DQOFLKXRESMPDL-YVWYUNDQSA-N 432.477 0.214 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccn(C)c2=O)[C@@H]1c1cccnc1 1802479148 YGYAMXXQDVITJH-IYOIXKLHSA-N 449.511 0.958 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)CN)[C@H]1c1cccnc1 1807046121 SNGNOLDJXIUHQX-ZIFCJYIRSA-N 429.521 0.963 30 20 ICED CCS(=O)(=O)CC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809770858 AQBWUSHTTHIWIE-UHFFFAOYSA-N 426.583 0.934 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(n2)OCCO3)[C@H]1c1cccnc1 1812878486 IMEKUMLCABTFJY-YWZLYKJASA-N 436.424 0.655 30 20 ICED CN1CCCn2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)cc2C1 1822203495 ZVDBWKLQQQGKKA-KRWDZBQOSA-N 439.476 0.836 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822703883 XMSAQVMTJMGSFX-OWCLPIDISA-N 433.578 0.729 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989617 LAPFPFDQJPHJTK-QWHCGFSZSA-N 447.517 0.917 30 20 ICED CN(C)C(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828933844 CDNKAZICGYSIOJ-JOCHJYFZSA-N 441.488 0.440 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1(O)CCC1 1829740190 KLVNTYXENOQPKH-WMZHIEFXSA-N 448.560 0.693 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1830715262 MIIYGGIGPKFQAI-JKSBSHDWSA-N 444.488 0.546 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831427515 RYRVCOKHDMHTDP-ZHRRBRCNSA-N 432.521 0.570 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831427670 XKJPICMIAWEKEB-IERDGZPVSA-N 429.477 0.390 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCNC(=O)c2ccc[nH]2)CC1 1831664445 ABTPDALYEROVLB-GOSISDBHSA-N 428.489 0.842 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)CCO2 1832100991 JEVAKYXEEKXTIK-QFIPXVFZSA-N 432.473 0.345 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833464942 CDSFXMSFVTYKAA-MRXNPFEDSA-N 431.537 0.205 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834732239 KYDLSRWVRJNMIS-FQEVSTJZSA-N 433.597 0.919 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768763 NYQWEQZFZJTXGY-VGSWGCGISA-N 444.488 0.671 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102423 RTILAWVVRLFZBI-DHIUTWEWSA-N 444.484 0.110 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2c1 1835346595 JDEOLOCRFTYYEC-JOCHJYFZSA-N 434.456 0.808 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835354615 QXRMLOLCXFNJNF-OAQYLSRUSA-N 449.529 0.529 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835712773 CAUOZEXYWVOYQA-ZWKOTPCHSA-N 437.585 0.578 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837525970 AOLHATGPCPWQCR-GWYVQQBTSA-N 446.504 0.610 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2)C(=O)O 1837533209 LEVFUOWJODIXSQ-YBZIWPIZSA-N 439.465 0.003 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837562560 NGLGJMFIRRRXRO-IGPUNGKJSA-N 432.521 0.641 30 20 ICED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)C(=O)O 1837884954 SWGUGCNMTYHGML-SFHVURJKSA-N 431.493 0.561 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(CC)n1)CCO2 1838152298 LQUWQRUYXXUZPO-QFIPXVFZSA-N 448.520 0.791 30 20 ICED Cc1cnc2c(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)cnn2c1 1838323427 UGSCRFURIRMWFF-UHFFFAOYSA-N 439.472 0.738 30 20 ICED Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838819030 FAMXCDWCCXBFBO-ZZAWEDPDSA-N 431.537 0.875 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)c1 1838908533 FZYHSIFNHOGBAJ-HSZRJFAPSA-N 440.500 0.641 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435108 MKBHOPVXUBVZGM-JOCHJYFZSA-N 438.488 0.887 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5C[C@@H]5F)C4)C3)c2c1 1839489023 LRTPKZCETDIKKN-HTZUNMPGSA-N 427.436 0.863 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628224 VECLVCIBYROCJE-YCRPNKLZSA-N 429.477 0.619 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1839805860 SZCQHSXJKZRYFG-SBUREZEXSA-N 441.484 0.138 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c1 1839885128 BTMSLYRRLPGBJY-JOCHJYFZSA-N 444.488 0.163 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1)C(F)(F)F 1839894829 UFABZNZIPHBGPW-SFHVURJKSA-N 444.410 0.690 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 1840042984 AMJTYKVRLXGLKO-LJQANCHMSA-N 440.374 0.863 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105792 MGKYVWMEZXJRIN-VGSWGCGISA-N 437.537 0.028 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1840161284 JOUOEOXQMRMGTP-OYAYMSOSSA-N 431.514 0.797 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1840167909 VKGNTKIKNTWGOF-QFIPXVFZSA-N 429.473 0.742 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1)C(F)(F)F 1840181657 HUJNZOYHOKCJDR-IRXDYDNUSA-N 438.399 0.177 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818089 JGDUZNLILMTGRY-IFMALSPDSA-N 431.489 0.410 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840842460 HJXGJTMKRIIUJU-QFIPXVFZSA-N 435.521 0.723 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)c1ccc(O)cc1 1846034948 WJRIUIPZKHKNGC-FQEVSTJZSA-N 443.544 0.379 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846216611 ISWAFLBVULQSQB-BBWFWOEESA-N 435.521 0.598 30 20 ICED CN(CC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)S(=O)(=O)c1ccc(C#N)cc1 428002777 ZNUDXIIHIDANGP-GTWBNLFZSA-N 427.526 0.804 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1 433633798 NFBWEQIYQXZNJC-CQSZACIVSA-N 443.547 0.325 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1OC 435069732 HLADSYTUSUHZRJ-ZDUSSCGKSA-N 438.506 0.709 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1C#N 441712824 GQOXUCGBWFFBCT-UHFFFAOYSA-N 445.457 0.030 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)c1 442018319 WBPZEGIUVJFBMB-SFHVURJKSA-N 433.424 0.838 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)nn1CCC#N 446561440 UYRXMTVPIISRTO-UHFFFAOYSA-N 439.520 1.190 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 447139401 MPZIURYIARMZNB-UHFFFAOYSA-N 441.879 0.795 30 20 ICED COc1ccc(Nc2[nH]nc(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2C#N)cc1 463383818 CTULLDGRYYQIQN-UHFFFAOYSA-N 431.434 0.232 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cnn(C)c1 471106795 CHXYJFNDCKSXNQ-YZGWKJHDSA-N 436.472 0.502 30 20 ICED COC(=O)CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471514270 ZQMLMIQOTBOMKZ-UHFFFAOYSA-N 443.547 0.928 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 473866915 RIDWJRNCJCNKHG-KRWDZBQOSA-N 431.474 0.273 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccon1 480926365 IOQKBYRHMNGJLI-UHFFFAOYSA-N 438.509 0.910 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cc1C#N 480936342 MZSMUZBAMONIRV-UHFFFAOYSA-N 447.476 0.608 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 489022277 WVUQXSLDVHMDKE-DOTOQJQBSA-N 442.541 0.804 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 494088528 DEYZNBNYBKGDGV-UHFFFAOYSA-N 438.487 0.787 30 20 ICED CN1CCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 498161490 CPJUVJLWSDOHHQ-UHFFFAOYSA-N 442.545 0.642 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)C1=O 501918767 HRPTVGFSWGJFGM-CQSZACIVSA-N 425.401 0.613 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nn1CCC#N 504447040 WYLSRVWMNQEACM-UHFFFAOYSA-N 443.552 0.979 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 510020206 RBJFXMGAOMPAPN-UHFFFAOYSA-N 446.533 0.487 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cn(C)nc3C(F)(F)F)CC2)c1C#N 512538147 DDDWTSUQRPRLSG-UHFFFAOYSA-N 438.414 0.318 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)N(C)C)cc1 518410433 PYBULPDPTXADQN-HXUWFJFHSA-N 437.548 0.976 30 20 ICED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 542072401 GERLEHWKHQYEOU-ZDUSSCGKSA-N 428.836 0.988 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCO1 549853252 CULREMDRGPWAJS-ROUUACIJSA-N 426.477 0.859 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 553672055 IOHMEIUVIKRSMO-AZUAARDMSA-N 433.597 0.592 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 555320474 MRLQWDDFSBAZST-UHFFFAOYSA-N 434.518 0.567 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1=O 556196539 BUUACCJNFGLFOZ-IBGZPJMESA-N 431.512 0.309 30 20 ICED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 566816244 ARJZOHWBQSJOJS-LJQANCHMSA-N 439.516 0.935 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cnccc2C#N)CC1 567209948 BXZIEGCFUCHVJB-OAHLLOKOSA-N 440.529 0.700 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 585698209 XDFWUOIJEOMJFL-UHFFFAOYSA-N 447.561 0.369 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603794284 DDDWBHOJMFALNH-UHFFFAOYSA-N 440.525 0.640 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 610702855 VQQGMAPUNVMYFA-HNNXBMFYSA-N 428.518 0.926 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)N3CCOCC3)CC2)C1=O 725766155 UTDDNCIULNIZSY-JOCHJYFZSA-N 425.489 0.854 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C(=O)N1CCS(=O)(=O)CC1 732910454 PUSRKFVOBHIRQG-SJLPKXTDSA-N 429.498 0.494 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 733149183 AIJOKWVYGDKXHR-UHFFFAOYSA-N 446.573 0.759 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)C 746527125 ZSJDWSKQUZVWLX-OAHLLOKOSA-N 444.579 0.584 30 20 ICED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 752138130 OLMQMJNXRZVCLE-OETDOYICSA-N 437.522 0.469 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3cccc(OC)c3)no2)CC1 755244111 RRLULTQKBCAEBI-UHFFFAOYSA-N 429.502 0.731 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 757587311 IGDYWUWVLUUPDE-CABCVRRESA-N 441.496 0.611 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758076333 SIVMUDMPODOPIC-UHFFFAOYSA-N 444.969 0.978 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCCO3)c2=O)c1 763466052 OGUPCZXTMYWWRI-QGZVFWFLSA-N 442.541 0.179 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(N)=O)cc1 769780737 RQCAPXLAMWZRQB-GFCCVEGCSA-N 430.442 0.506 30 20 ICED COC(=O)C[C@@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 770163250 GRPZCDIEYDGWMC-IERDGZPVSA-N 428.445 0.992 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1F 771896639 FIIQNLNCPCFGQY-UHFFFAOYSA-N 433.259 0.688 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C)c1cc[nH]n1 772277298 HDBHSGJKSBFBDK-TZMCWYRMSA-N 425.511 0.756 30 20 ICED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 782105643 CAWWFQIJKIFJJG-UHFFFAOYSA-N 449.515 0.784 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 785165748 YOOLFMLWGSSIFG-PTGBLXJZSA-N 434.518 0.984 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)CC2)c1C#N 788114077 MRGZRIHTRHGCEH-UHFFFAOYSA-N 434.497 0.952 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 789793634 PBLXVGFZINOSSA-UHFFFAOYSA-N 429.502 0.944 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2nnc(S)n2CC)C1)c1cc[nH]n1 789976514 RDUXSZMEKDXQDH-LBPRGKRZSA-N 435.510 1.000 30 20 ICED Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 807652821 ATGIAGXQPGYDAQ-GOSISDBHSA-N 437.504 0.875 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 849001936 CMHZESZAMZHZNW-QFIPXVFZSA-N 428.537 0.909 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 893393460 NKMWGGDXLAFIJB-GFCCVEGCSA-N 443.453 0.404 30 20 ICED COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc(OC)c1OCC(N)=O 916178290 QPMIBDCVWXVVMS-UHFFFAOYSA-N 433.442 0.699 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCCNC2=O)CC1 919109438 XCLZXKJCWHYVGJ-UHFFFAOYSA-N 442.432 0.413 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ncn(C)n1 1288161582 KAMQLXCKPHPAGW-UHFFFAOYSA-N 448.535 0.787 30 20 ICED CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCOC1 1296537472 WMHHQUNVPXHUMY-HXUWFJFHSA-N 448.549 0.987 30 20 ICED CCOC(=O)C1([S@](C)=O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1298065305 NQANGEDKTPIEQL-NDEPHWFRSA-N 441.531 0.028 30 20 ICED CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1313448825 PNQIXCZTYRJCGE-HRCADAONSA-N 425.559 0.491 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2=O)cc1 1318863062 IPTWPUKLMNTWJW-INIZCTEOSA-N 443.485 0.573 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1321993284 BHSGKQQFELHSRG-KRWDZBQOSA-N 430.534 0.482 30 20 ICED CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500878006 ZWKBUYLUMPUJSU-CQSZACIVSA-N 435.558 0.539 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1519115644 IKHKUJIXSJHDSC-UHFFFAOYSA-N 441.536 0.690 30 20 ICED N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCNS(=O)(=O)Cc2ccon2)c1 1521082791 NFVUIIPGHJCVNP-UHFFFAOYSA-N 443.489 0.761 30 20 ICED COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1555572434 YSVBJOOEFANDJX-RDJZCZTQSA-N 439.524 0.458 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1624326069 WZMDWJCRAQDWOI-WFASDCNBSA-N 428.461 0.987 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1643573716 SWEWTVHDRFPELC-GOSISDBHSA-N 442.925 0.650 30 20 ICED CCn1c(CN2CC[C@](O)(CC#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1643573774 VODCEWBVHVHGHO-HXUWFJFHSA-N 433.534 0.928 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)C(=O)NC 1696337773 URUNZTLNZUXUKM-HNNXBMFYSA-N 441.540 0.964 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1751652967 PRDYGBXCQVIBQQ-YLJYHZDGSA-N 447.517 0.444 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015076 PPRWMKZBSLPQJN-WONHMWJISA-N 434.537 0.877 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779106244 YWPLFSLLHHJVRM-RTAJLIBNSA-N 434.449 0.465 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779106938 NTPROBWHXXBBNS-HPNSBFNSSA-N 437.493 0.689 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779872642 BAXSLWSHODVHAY-HSZRJFAPSA-N 448.483 0.523 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1782187380 XOBNLHHMUJNTQU-ZBQZNYHESA-N 438.506 0.589 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782582669 GSVQECXXHQTTLO-NRFANRHFSA-N 427.461 0.911 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666932 QPAJLYRWSJUCPU-HOIFWPIMSA-N 428.489 0.068 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C)COC3)[C@H]2C1 1783672879 RAEMLDJQSVHCRZ-FJIDUMEYSA-N 449.548 0.919 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CSCC(=O)O)C3)C2)ccc1F 1783958682 MSKLSPUVERXHQC-HXUWFJFHSA-N 435.477 0.888 30 20 ICED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1784259747 FIAVYIBDCMVTAS-OAQYLSRUSA-N 430.461 0.295 30 20 ICED Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788631571 OBUNSRBANWHZCY-BZSNNMDCSA-N 430.505 0.599 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)n4)C[C@@H]32)cc1 1790142481 VHBCBKYRDUHRRA-BQFCYCMXSA-N 437.456 0.861 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1792145384 XJMIGGVWGVFISG-BXWFABGCSA-N 437.456 0.726 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)CC)C[C@@H]21 1792259123 YLZBPATVIFBQCQ-CUSZFKRNSA-N 435.521 0.862 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(C)CC2)cc1 1792457673 HMTDWNQHSKNFDT-BOLBYERCSA-N 432.590 0.960 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1795420000 PGCPJKFFVQECIJ-XOIINTDNSA-N 426.433 0.185 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1SC(=N)NC1=O 1796427847 SZFZNFHVQJJVOR-PUVOBFTMSA-N 447.517 0.091 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797062415 HQPFWVGMRYQECB-MPTYRVRUSA-N 446.529 0.859 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740884 ACZMOSBYEDIUBE-YNNUGWCRSA-N 428.537 0.943 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797946421 YAIOWTWHXOOZRY-FDFFUELDSA-N 440.500 0.390 30 20 ICED Cn1ccc(=O)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1798528774 NCIPNNLKGROMNC-OZHCATNZSA-N 432.477 0.118 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c(I)c1 1799842787 LMTFHKMBDANPJX-DRXBFXEBSA-N 440.237 0.833 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)c1 1801765435 RYRRIPKKKNSSKP-JDLLUZBXSA-N 439.560 0.764 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCCN1)C2 1802126760 BSFVZOYCGKRSQT-SOWBTEIWSA-N 448.564 0.635 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)[C@@H]1c1cccnc1 1802476613 LEBJIFHXUJVNTO-QGDHWXTGSA-N 441.532 0.861 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1805169506 ZYWONCRASSEXCR-JPYJTQIMSA-N 446.511 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806922187 MDAGURJRRRSNAV-ADWLJLTJSA-N 439.516 0.568 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808295445 JDUKBVLYCSSBJP-SIIHOXLZSA-N 425.445 0.641 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690673 ICASPIBBYRUSKH-ZDUSSCGKSA-N 438.473 0.692 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N(C)C(C)=O)sc2C1 1817292614 LFEONBKRPPSGPT-RXHJEXLESA-N 433.534 0.780 30 20 ICED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825120344 CWBOICNUBWYWRY-NXEZZACHSA-N 428.478 0.707 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1829029364 CJRXHHKXMDQYFO-YJBOKZPZSA-N 441.488 0.303 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1829748590 BJEZSGFWDPFQQI-GUYCJALGSA-N 429.568 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1829768926 KRMPPHFABCJTQZ-KSEXMQBYSA-N 442.516 0.432 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832051332 SVORDEDYAQZZCN-HTAPYJJXSA-N 435.521 0.866 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4COc5ccccc5O4)CCO3)C2)CC1 1832494088 UFSTXKNNTCJDRS-PGRDOPGGSA-N 427.457 0.587 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793370 KREADRGGGHTXJT-FUHWJXTLSA-N 441.510 0.202 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccc3C)CCO2)C1 1833007855 LTGQDSYNDJUEPP-CVDCTZTESA-N 429.517 0.817 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CCc4ccc(O)nn4)CC3)CC2)CC1 1834604496 XJLGNSBDGWJXBE-UHFFFAOYSA-N 426.521 0.990 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834671796 LLXVWTJPJPTRFI-SFHVURJKSA-N 435.569 0.433 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1)c1ccccc1 1835431870 YMGFQFDZPHRGRE-HYBUGGRVSA-N 441.528 0.728 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1835674335 IUEXTHJVCLGTEC-QFIPXVFZSA-N 447.511 0.501 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837169921 VFBMAYUWMJOSFC-HTAPYJJXSA-N 443.504 0.372 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524338 FZJJVPGNMASGNP-DTKOAWRHSA-N 435.481 0.019 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838475336 ISOFNDJBSCZENX-XMMPIXPASA-N 449.463 0.932 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c1 1838579445 LKQYIIQTTUGPBC-NYHFZMIOSA-N 444.488 0.148 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)c1 1838580542 ITAPQJRACGQRCN-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738218 XXBGBNFKAJXGCF-BTYIYWSLSA-N 439.476 0.247 30 20 ICED CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489456 WXUGKBSCHXVORG-QFIPXVFZSA-N 441.488 0.931 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2C[C@@H]2F)CCO3)c(C#N)c1 1839771296 YOTCMAMSJJCCBU-CNNODRBYSA-N 431.464 0.924 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839877847 KAQWLJKNBLINLC-CFMZITMMSA-N 449.529 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1840045046 NMWORKVQKPQOCJ-NRFANRHFSA-N 430.432 0.402 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345602 XTZNMOJKSGRHTK-KNQAVFIVSA-N 434.537 0.938 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)CCO2 1840797848 OERKJVGUAOBNIF-YWZLYKJASA-N 441.550 0.332 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1840843140 XBJYUZIYLOYFEG-OAQYLSRUSA-N 447.444 0.792 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846594332 DPJUVXYOIGSGGT-MRXNPFEDSA-N 443.504 0.975 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC[C@H]3CCCO3)CC2)cc1 18661932 CGIBUOMKZIKANZ-QGZVFWFLSA-N 435.502 0.797 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1=O 29494914 YCTAUFDCOGIUBV-UHFFFAOYSA-N 448.863 0.997 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)N(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]1C 409499776 IBKQHQDAVGLTTR-GEEKYZPCSA-N 434.588 0.054 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 439945644 SGAQAOKADUDRJR-IYYOBANKSA-N 449.485 0.177 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 440365598 IJFIYAQASWZSQU-QGZVFWFLSA-N 434.518 0.719 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)cc1 441939027 WCADPJBXXOTTBC-SFHVURJKSA-N 439.537 0.617 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCOC1 441960188 YIFFDRWEVFNFQG-INIZCTEOSA-N 437.521 0.686 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446512543 MYOLSJAUIOPTFJ-KBPBESRZSA-N 425.532 0.885 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3nc(=O)o[nH]3)nnc12 447633501 AXKNSDJRZWTHAC-UHFFFAOYSA-N 427.446 0.358 30 20 ICED CN1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460597454 MNORJYAEPFFPJY-IBGZPJMESA-N 436.520 0.706 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 460943985 CANOMJNSYZDSCT-SJORKVTESA-N 425.603 0.681 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 478975386 IBQPLPGXZZBGPN-UHFFFAOYSA-N 431.430 0.161 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480946924 CECQLHZRIPQWPJ-CYBMUJFWSA-N 442.472 0.739 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)cn1C 483518568 MHSXAIIBRKSCKK-UHFFFAOYSA-N 430.534 0.982 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 489011741 XEAUHXVEHPSDPV-ZDUSSCGKSA-N 440.477 0.942 30 20 ICED C=CCN1CCC(N=c2nc(N3CCOCC3)[nH]c(=NC3CCN(CC=C)CC3)[nH]2)CC1 500294358 WXUUABUFDZTSTD-UHFFFAOYSA-N 442.612 0.677 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCCC(=O)OC 501764808 WNXOABQYGNNXIL-UHFFFAOYSA-N 447.488 0.268 30 20 ICED COc1cc([C@H](C#N)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505482478 ZCRSGZTXLIPTLQ-WVVQHKAJSA-N 443.456 0.946 30 20 ICED CCN1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 509489603 VEJHTDHIQXVMCP-UHFFFAOYSA-N 433.578 0.713 30 20 ICED CCN(C(=O)[C@H](C)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@H]1CCS(=O)(=O)C1 513589446 XENRWYOAQCKRTA-OSAWLIQMSA-N 430.530 0.756 30 20 ICED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513785913 WBUSIQHQXQMZJJ-HXUWFJFHSA-N 426.454 0.898 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 516078950 GQSLBEKVDQDCRL-SFHVURJKSA-N 444.555 0.736 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 516745539 UUVAQWFYLLWFGE-UHFFFAOYSA-N 434.518 0.543 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1cccnc1 524342741 YJXBAWRSWYLYBS-UHFFFAOYSA-N 448.504 0.583 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O 527279808 VGFHNOHMUURDFQ-AWEZNQCLSA-N 445.928 0.856 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1CC(N)=O 546609314 URQSOZRXUHPDEW-UHFFFAOYSA-N 440.344 0.947 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c(Cl)c1 548289693 XXYJUYWEZUQRMA-GFCCVEGCSA-N 447.900 0.166 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 555736602 ILWWFTKHATZVMY-UHFFFAOYSA-N 439.324 0.731 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)n1 559396769 PRJAGLUVDKCWMA-OAQYLSRUSA-N 448.527 0.619 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 559440222 OORGXKJGTUEFJG-RTWAWAEBSA-N 427.549 0.696 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 563833417 DJKPBNINAOUKKJ-UHFFFAOYSA-N 427.866 0.597 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccc(C(N)=O)cc1 573537755 WGPULMZNPWFAGZ-UHFFFAOYSA-N 440.506 0.317 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 582367636 FEMQJPNSNSBOHI-ZDUSSCGKSA-N 431.898 0.353 30 20 ICED CC1(C)COCCN1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 584402762 SBKDGDCQYOLCJC-SFHVURJKSA-N 427.505 0.397 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 590284967 RITKYDLNKFLKGR-UHFFFAOYSA-N 428.474 0.149 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 606027555 XOOUTPVZERSOTC-UHFFFAOYSA-N 430.509 0.601 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1C 608912571 VICYFLXEYSZPNH-UHFFFAOYSA-N 426.542 0.596 30 20 ICED C=C(CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 673155196 RIAJLKVXVBATDC-UHFFFAOYSA-N 443.529 0.931 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cc1 684535744 SRDQAFYISWHDEG-QGZVFWFLSA-N 439.537 0.805 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727164851 SFGGUGHIHKJEJZ-UHFFFAOYSA-N 426.889 0.486 30 20 ICED CN(C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 728718386 MNQUJXVGZRNVIR-ZFWWWQNUSA-N 443.909 0.768 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccc2nc(O)[nH]c2c1 729539965 MJVDXVUJNYDCQX-NSHDSACASA-N 443.441 0.989 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 734225619 LMLDWROKKDMMBC-WKRZDEFASA-N 449.533 0.563 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCN(c3cnccn3)CC2)CC1 734750298 PFWLURNISUCLFL-UHFFFAOYSA-N 430.538 0.876 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 740520213 XHJOGYHFGKZIRJ-UHFFFAOYSA-N 445.950 0.782 30 20 ICED C[C@H](CC(=O)OCC(=O)N(C)Cc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 745497571 WMCVXJVKIZHQBJ-CYBMUJFWSA-N 433.490 0.439 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1=O 748792358 LFUUZRVETITFDX-UHFFFAOYSA-N 435.525 0.738 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 749667822 YWZQKFXDVKYMDY-UHFFFAOYSA-N 445.520 0.706 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cccc21 755548096 PCKCPZNORUILPP-YPMHNXCESA-N 429.433 0.945 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC(F)F)c2)c1=O 758056064 SZRCHILFQUNTEP-UHFFFAOYSA-N 447.463 0.800 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CCOC 766388924 TWWJMIYWXVYSHN-UHFFFAOYSA-N 435.933 0.784 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637151 PFUXMJVOTGJRLU-UHFFFAOYSA-N 431.562 0.616 30 20 ICED CC(C)(C)OC(=O)N1CCC(OCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 777313235 GLXYGKKFJSYEDH-HNNXBMFYSA-N 443.522 0.368 30 20 ICED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785080560 FKQBYFUZPDDDHW-WKRZDEFASA-N 449.533 0.565 30 20 ICED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 787516845 WZBKDWAQKLYIIB-HNNXBMFYSA-N 448.487 0.862 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 815860457 LXVFPXSGNZQHMD-UHFFFAOYSA-N 447.561 0.947 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 816755666 GKBGZIFQMHCSIX-HNNXBMFYSA-N 440.478 0.800 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 838207628 DTTDNRDUOPLRRT-UHFFFAOYSA-N 429.546 0.468 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccccn2)CC1 914610110 NOZQWMLRPDPJRQ-UHFFFAOYSA-N 441.513 0.885 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)N2CCCCC2)c1 918262145 JHNZUKSIWINMOQ-QJOMJCCJSA-N 449.533 0.567 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300845613 YPKKVOGHILWKIY-OLZOCXBDSA-N 427.303 0.479 30 20 ICED CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)N(C)C 1359850488 VKUUXUYWLMFOKF-UHFFFAOYSA-N 446.581 0.961 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360206903 LDVJOSJHVIBEDB-GUYCJALGSA-N 427.506 0.140 30 20 ICED NC(=O)CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCOc2ccccc21 1436267782 NOUMIXOFFRDWJW-INIZCTEOSA-N 442.497 0.953 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCC#N)Cc2cccnc2)c1 1625794623 MXJBHVHTRSXQAD-UHFFFAOYSA-N 436.515 0.706 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1706005379 NWXNWODZWAETJW-NRFANRHFSA-N 426.500 0.870 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(=O)N(C)C 1708153057 LHVQFGIOJWTVEE-MRXNPFEDSA-N 446.519 0.729 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccncc2)C1 1731016039 XCONJBMWHVIJOP-APWZRJJASA-N 449.512 0.691 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102968 KWLUZIITUNZMPB-YGOAVPTMSA-N 445.476 0.379 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181677 LLSKPZHZVZCYRJ-HTAPYJJXSA-N 427.505 0.618 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444452 BZZVTOLOCLGMLZ-BVDRTOKDSA-N 433.509 0.659 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780359659 ZARPACDSDCNHBG-CWIOURORSA-N 442.398 0.125 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)cc1 1780412271 JMIDWCIQZDXZQQ-UZUQRXQVSA-N 448.483 0.888 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1784009853 OGUHDOQJKSARTE-PGRDOPGGSA-N 448.541 0.764 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1785575534 CZAMVYSSAXVNDB-ZQMYSKGWSA-N 448.564 0.875 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1788573031 NSQXLVUIVFPNFI-RSJGLCBASA-N 431.537 0.830 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807389 FCNRXVCZZWXUGK-LWYYNNOASA-N 448.608 0.319 30 20 ICED Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789975599 PAUUZIWUAWMVNB-WDSOQIARSA-N 430.553 0.831 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142391 OQZXLPYAIFHWIG-VJANTYMQSA-N 427.505 0.793 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)c1 1790228206 GISYDGCNLCMNBD-YEWFCNIMSA-N 428.464 0.817 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cc5cnc[nH]5)C[C@@H]43)c2c1 1790327108 QVGFWVNPZLSNSF-FNHZYXHNSA-N 433.472 0.994 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1ccnn1 1790643107 UPZXINPFSVSGDJ-UJNZZBMASA-N 448.487 0.881 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1791273229 UPQHEWXRNSNRSB-KQGMHSTHSA-N 429.517 0.722 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1792171993 FVMREXQCFUROPU-XSLAGTTESA-N 437.537 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1O 1792386436 MJTDQHFSFMLWOF-YOEGPNAJSA-N 434.880 0.502 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(OC)c1)C2 1792489806 VCFUQDNBJBGSMW-TXFQXBMRSA-N 443.500 0.765 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836539 KTIRUVNDLLWVMG-WTLGNFPFSA-N 449.891 0.346 30 20 ICED 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)CC1 1795411395 MSXTUIJXPWRLTF-FZKCQIBNSA-N 436.509 0.155 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742271 PSWOIFQJBJLKAY-NIVUTHITSA-N 434.566 0.074 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797760540 KLOBZDZECGKZEI-CWPLJXCYSA-N 445.545 0.011 30 20 ICED 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)[nH]1 1798184304 UIIXCNJFXWUYEH-FQLMCAECSA-N 447.492 0.235 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798415195 PXBYLQKBRPKTDK-IARIHHJXSA-N 446.529 0.532 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(Cl)c1 1799749886 OQRPDKUXVZZITM-DJZPMSPPSA-N 445.863 0.013 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(F)c1)C2 1800777978 NPPXEDQJDCUUOP-VPTLXERWSA-N 429.448 0.717 30 20 ICED 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)no1)C2 1802125802 VAEUNAMDUYGTOX-UMPJEAMMSA-N 448.476 0.500 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1 1802482438 NFMCHYQHYJKOIX-DXJATJGKSA-N 449.511 0.808 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803564947 LYVCXLWMXWSMOB-UWWQBHOKSA-N 440.437 0.403 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810251912 AQUHVRTWXBUEBM-WFXMLNOXSA-N 439.516 0.917 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813174055 ADKBZOUNNAOARD-MBSDFSHPSA-N 440.500 0.995 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n(C)n1 1829901142 WMVQLNOKFAACCE-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1830341810 UECSXDBMMVATIA-IAGOWNOFSA-N 448.520 0.714 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831486445 XQKGZGKAESOSAU-KXBFYZLASA-N 426.539 0.453 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833421594 OWADITDVOQOGHW-QGZVFWFLSA-N 448.612 0.755 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2)c1cccs1 1833717538 MJKHUPVLEGJOGU-YADGQWAMSA-N 430.486 0.980 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834477215 HOLSGVZHDPKXMB-HSZRJFAPSA-N 445.491 0.989 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834599842 SFCTXWRMZPNNMP-CJNGLKHVSA-N 446.577 0.664 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834824120 KCOWCOCCPOPECM-HXUWFJFHSA-N 444.576 0.993 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1C(F)(F)F 1835341294 WCMHHDYOJFHKKG-SFHVURJKSA-N 441.410 0.813 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)CC1 1835345675 UENGLWHAXKCRRJ-IBGZPJMESA-N 428.474 0.460 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2)C(F)(F)F 1835707888 SYMXBQBWMOBUDO-MAUKXSAKSA-N 428.411 0.656 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835712599 OMSZZDCEHMOLOM-QFBILLFUSA-N 434.581 0.657 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1837393444 RLCNKRAVKYENNB-XXBNENTESA-N 431.533 0.962 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837402425 BBMOTJJGMGSENY-VGSWGCGISA-N 448.520 0.144 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1ccccc1=O 1837689434 XUGVGRQFJXHXPH-ZHRRBRCNSA-N 439.472 0.379 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755692 ADPCVLJXDSTKEF-ZHRRBRCNSA-N 448.520 0.586 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1)C(F)(F)F 1837863051 ZVESCCYKBANRMR-UHFFFAOYSA-N 431.459 0.943 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(OCCCO)cc4)CCO3)C2)CC1 1838546538 FLZHBDCAFTUBJD-HSZRJFAPSA-N 443.500 0.822 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733309 YIMLMXQAVXUFIJ-OAQYLSRUSA-N 431.493 0.119 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838842905 ZDRUJUKBGAWAHC-HZQHCPKGSA-N 437.880 0.861 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1839472102 BYRKDYFVRWNSEB-HSZRJFAPSA-N 441.484 0.834 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccc(Br)c4n3)C2)C1 1839810193 KFXBAUXQCOGXGQ-IBGZPJMESA-N 447.289 0.800 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C)CCO2)C1 1839817111 IKLQSPWTYRBVFD-JWAINBRSSA-N 435.521 0.936 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016491 GYQIDRXEUCGQOM-WVQWTBLQSA-N 449.507 0.766 30 20 ICED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840022822 GVKQKBBFFMBEAF-XIKOKIGWSA-N 442.394 0.423 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840169472 GRWBZUKNQDEKEH-OAQYLSRUSA-N 446.460 0.016 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840194833 HEUUPDINSVREOO-XLIONFOSSA-N 430.567 0.540 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840906138 VNZXHDDAIAKYQZ-HSZRJFAPSA-N 427.501 0.595 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1841054066 IFVWSOZNJYYZPZ-XZVRFQMRSA-N 428.533 0.839 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)N(C(=O)OC(C)(C)C)C1 1846449195 ZKKANIZHFQRCRV-HNNXBMFYSA-N 431.497 0.442 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 110263723 SMHQVARYVKBTGG-SFHVURJKSA-N 449.529 0.733 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 428773603 RLZSPKPUGOHIMI-INIZCTEOSA-N 425.474 0.986 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1OC 435203394 QGVPTZIINCEBCT-HNNXBMFYSA-N 443.525 0.571 30 20 ICED N#Cc1cccc(CCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 440140143 VFFMUUNUFACACV-OAQYLSRUSA-N 448.479 0.870 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1=O 440254699 JRLAENFOWOWWMQ-OAHLLOKOSA-N 427.440 0.863 30 20 ICED C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443334098 LPCHISPRIZAKNW-AOIWGVFYSA-N 434.562 0.872 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 443554321 UJAFCWVYMSUFNY-HNNXBMFYSA-N 444.538 0.536 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cnn1-c1cccc(C#N)c1 443690102 NPFDIXFSUHQQTB-UHFFFAOYSA-N 438.488 0.952 30 20 ICED N#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 464798604 KBTBJIOWIHBOSG-INIZCTEOSA-N 435.502 1.000 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465186584 GWRMQJBNGZUJDA-HNNXBMFYSA-N 444.517 0.624 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 465420002 XQJXZYYATHVUJS-AWEZNQCLSA-N 442.501 0.569 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C2)c(F)c1 469019929 QSUIFARDUDTMIW-CYBMUJFWSA-N 449.464 0.453 30 20 ICED C=CCc1cc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc(OC)c1OC 469150127 ZZPULSVCSITQFC-UHFFFAOYSA-N 436.490 0.454 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 471156613 LMAKLOXAMVITDZ-UHFFFAOYSA-N 434.927 0.233 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 478258414 YWLLDALRTGCROC-UHFFFAOYSA-N 425.489 0.133 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@]2(C#N)CCOC2)c([N+](=O)[O-])c1 478663344 UAUJCUNQMQGVMX-KRWDZBQOSA-N 426.451 0.803 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)n1 480511776 MUTYIGUDWJRXNJ-IBGZPJMESA-N 432.484 0.914 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 487169959 YXSZNXRETIXOPI-IBGZPJMESA-N 445.545 0.915 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCCO1 505698937 FBFMUMHCCQSWCO-OAHLLOKOSA-N 429.546 0.550 30 20 ICED N#Cc1ccc(CNC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 519888014 OCTGLYGSNLSQEA-UHFFFAOYSA-N 427.486 0.407 30 20 ICED N#Cc1cccc(CNC(=O)C[S@@](=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 520793810 FQRBLPZRDDJOEL-GDLZYMKVSA-N 448.526 0.398 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 527030459 PLSSWAGIILHANA-SNVBAGLBSA-N 437.930 0.609 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 540966991 FKPJLYDDWMGHKK-UHFFFAOYSA-N 449.537 0.562 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C1CC1 546076504 XBSSDYXJWFZFPY-UHFFFAOYSA-N 443.481 0.248 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 553834556 YPKVABHGVWSTEU-HXUWFJFHSA-N 440.544 0.829 30 20 ICED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 555895307 ZAZMYWYYCZKKCZ-YLJYHZDGSA-N 432.484 0.942 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)nn1 558517540 GLPZSMTZEPITNV-ZDUSSCGKSA-N 449.431 0.319 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 559603368 AHHOFOFQOLFWKS-UHFFFAOYSA-N 438.463 0.596 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 572038006 QMWOJTDMCLOGCU-KRWDZBQOSA-N 448.483 0.532 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)n(C)n1 574428670 CAVGZACQTSTWOQ-RBUKOAKNSA-N 449.515 0.187 30 20 ICED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 578853923 SUYXUVIHAQYTRB-UHFFFAOYSA-N 446.489 0.138 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n1 580503174 ZTDOBVIFESADAJ-UHFFFAOYSA-N 438.366 1.361 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 584320561 ACGHHCHDHRBHBH-UHFFFAOYSA-N 442.501 0.539 30 20 ICED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)C2 585704381 PASQEHWZCZTJHI-INIZCTEOSA-N 435.488 0.844 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CC1 590999085 JPYHNGVLBJGIMA-CYBMUJFWSA-N 441.509 0.685 30 20 ICED C=CCOCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 591118494 AWPIEWLZPOQQMI-UHFFFAOYSA-N 429.882 0.706 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 612348804 VKXLHZCQTCXESF-UHFFFAOYSA-N 425.511 0.282 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 615981789 VLZPRVCUDAXQDL-AWEZNQCLSA-N 432.510 0.510 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1 645072603 RIORDIZKSPIFDF-LLVKDONJSA-N 427.490 0.869 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 732056828 DEMFYHFLDOKOIS-CALCHBBNSA-N 436.534 0.630 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cn1 732796567 GYDPZYMSWDPTCM-UHFFFAOYSA-N 436.497 0.314 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(CN2CCOCC2)cc1 741341125 PLKXQETZOXJMMK-QURGRASLSA-N 442.472 0.917 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)C1=O 741740639 OYUJWFDTFXXUGU-INIZCTEOSA-N 431.470 0.924 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)CC1 744137018 HUPHIPGIVBSHJQ-UHFFFAOYSA-N 429.550 0.489 30 20 ICED NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746109367 NPCQGKCYWZBWNI-SRIJWZPRSA-N 445.907 0.927 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356735 GRVDAWVHHPZOCB-UHFFFAOYSA-N 432.502 0.089 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 757295511 UZJJVVFEEGDHQL-AWEZNQCLSA-N 435.444 0.981 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 758431836 LEJJXECHZJJMDW-HUUCEWRRSA-N 429.543 0.716 30 20 ICED N#CCOc1cccc(CC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 760636944 BEOCGUVCAIHVIT-UHFFFAOYSA-N 429.454 0.911 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 761033497 XXQSWLBRBHOMLI-CYBMUJFWSA-N 429.340 0.861 30 20 ICED COCc1ncc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(N)n1 763347929 PMEHDJSTVGADEX-UHFFFAOYSA-N 429.462 0.927 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCOc1ccccc1 767681966 ULDCHKWDPDSBIY-OAHLLOKOSA-N 431.470 0.963 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 771277045 ICNUKAVVAAFRAX-UHFFFAOYSA-N 442.497 0.668 30 20 ICED Cn1cc(S(=O)(=O)NN=C/C(Br)=C\c2ccccc2)c(=O)n(C)c1=O 771896778 IMQXVZGQSWPOFZ-LZVGRGQCSA-N 427.280 0.784 30 20 ICED C=CCNC(=O)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 777515086 DANDSEFNKMZWRV-UHFFFAOYSA-N 446.323 0.502 30 20 ICED Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 783014024 JNKRCBSBLAVTOA-ZDUSSCGKSA-N 428.478 0.109 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)nc1 788027946 VHCFEWYAFOVYBL-UHFFFAOYSA-N 439.495 0.559 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 793201171 ISEYZMDBZMQVQG-UHFFFAOYSA-N 425.264 0.909 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 799285472 GMLTZGWNGJMEJI-GOSISDBHSA-N 426.473 0.329 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCCCC4)O3)CC2)c1C#N 806699292 IGWKTMQHOBEQSL-MRXNPFEDSA-N 430.509 0.441 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387193 IPBCVLZOQZOGMY-QZTJIDSGSA-N 432.550 0.803 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1C#N 918757002 GKRLWYAYGZKNTQ-FQEVSTJZSA-N 427.440 0.978 30 20 ICED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(=O)nc1O 1290699814 VYXZGBSSSIZBOW-UHFFFAOYSA-N 435.362 0.824 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC2CCN(CC#N)CC2)CC1 1318584798 OVQYJBCIVGGLQK-UHFFFAOYSA-N 448.545 0.978 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)nc1O 1453841801 JFDDUQTUEYLAIA-MGPUTAFESA-N 443.460 0.667 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1468557310 JLBHPRLMQUBOOH-XLIONFOSSA-N 433.534 0.958 30 20 ICED CC[C@@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1513169018 ILDPVXCKNTVIPX-ZIAGYGMSSA-N 425.559 0.933 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 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COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(C#N)c1 1781173245 AXGKEKBXAKJPIF-AVRDEDQJSA-N 426.473 0.218 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781370218 XGMLWTDRHGPLBK-AVRDEDQJSA-N 428.464 0.691 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781650636 XIHHVWBPEKZACC-WOCWXWTJSA-N 428.551 0.669 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1781791660 JMDBBZBUZALMIY-YADARESESA-N 439.560 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858900 OPLYOAIOYNBTNP-ZSDSOXJFSA-N 441.525 0.233 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1782176440 NLRRYNNRKNLYBL-IGMJJTELSA-N 445.582 0.704 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnccc1C(F)(F)F)CCO2 1783556612 AOSIPAPXLGVOLK-LJQANCHMSA-N 439.390 0.951 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783569704 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O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1788638950 VFNFJKBKRGTWSE-UFYCRDLUSA-N 427.501 0.612 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc(OCF)cn1 1794411222 ZTOHPEINVOKSCN-CWPLJXCYSA-N 446.479 0.684 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2nnc(C)o2)c1 1795789792 DJMQIUVTHZKVRT-CWPLJXCYSA-N 425.445 0.704 30 20 ICED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2)c1cccs1 1796895790 QWCGEAZUPVVOAN-HSZOWAIQSA-N 433.530 0.776 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ncccn12 1797005869 UFCIESMFCHABGF-YVSFHVDLSA-N 427.505 0.814 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnn2ccncc12 1797059994 ATZUBOTZOQTBMM-UPHUGPLXSA-N 437.500 0.631 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](S)C(C)C)C3)n1 1797911220 KXDHFJUQAVRDQH-CYGHRXIMSA-N 436.578 0.831 30 20 ICED 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CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806866315 SNDXJVGEOGEMGA-CMKODMSKSA-N 430.461 0.886 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@H]1c1cccnc1 1812531029 VGNSBWGMVZFFOZ-XFKSJGNHSA-N 442.516 0.948 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)[C@H](O)N1CCOCC1 1819446298 MVSPDRSNDUGFKJ-UPLXUCPZSA-N 447.540 0.524 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819720636 IGLWRCSQKVNCHO-SMDDNHRTSA-N 432.502 0.553 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(C)c3)C2)C1 1829771154 IWXMLPCTTMICHV-FUMRIQNTSA-N 443.500 0.629 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c2n1 1830056759 RPVROWGFANCSAT-JOCHJYFZSA-N 440.504 0.966 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339481 SVEFIYWXJJHVMD-HTAPYJJXSA-N 434.489 0.819 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830586716 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VGQIHSQSMOLDPK-KRWDZBQOSA-N 430.505 0.280 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)cc1 1837168993 GVWRINWJUJBNMM-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C(F)(F)F 1837385967 XRVWFFPYOIWWGL-GUYCJALGSA-N 436.431 0.269 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837437645 FPJXZUZBUDRNAZ-BTYIYWSLSA-N 435.546 0.791 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837443931 NHDZRRJTXMNPSP-YQNSVDCASA-N 445.520 0.632 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1cccn1 1837533441 UVECKHSYXNPTGJ-DYHJMRMTSA-N 449.508 0.430 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccncc2O)CCO3)cc1 1837813500 MJUCPBDXEDVCQA-HSZRJFAPSA-N 436.468 0.972 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838594887 AMGLCXPQAYMLGG-SPLOXXLWSA-N 448.907 0.793 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnc4C(N)=O)C3)C2)c1 1838906305 FXYVXIKPJHHJCL-QHCPKHFHSA-N 449.467 0.436 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1838952931 KOLVLFZOUVCBGC-QFIPXVFZSA-N 437.456 0.497 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081177 XZQQZTPFIJEJIO-MSYCTHLASA-N 429.517 0.257 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1839175896 KQCPMXJMRDQYGH-PGRDOPGGSA-N 448.520 0.485 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4ccc(F)cn34)CCO2)C1 1839590720 ONBXOYABUVJLFF-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704844 HYPINWUPDDMAPE-HTAPYJJXSA-N 438.488 0.410 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1839809241 IWOGSAPWJXEFBB-JOCHJYFZSA-N 427.457 0.737 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1)C(F)(F)F 1839891523 JXBRRZHURYQAJJ-LJQANCHMSA-N 447.454 0.964 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(C#N)c1 1840162850 JOTKXJPYQXLHGP-BTYIYWSLSA-N 433.530 0.884 30 20 ICED C=CC[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1)NC(=O)OC(C)(C)C 1840796110 UUVMYELQNXIWRC-IERDGZPVSA-N 440.541 0.261 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)CCC1 1840814615 AZCPIRWQCMOOPY-JOCHJYFZSA-N 438.488 0.422 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820416 OAHMRZZPWIWTCD-WZONZLPQSA-N 444.532 0.734 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1(F)F 1840826892 BPXWZDLGOQROOG-FDKAMJSWSA-N 428.480 0.960 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)CC)C1 1841587070 DSDNGFVERWTRAS-HNNXBMFYSA-N 441.550 0.541 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)cc1C#N 1841962053 AKXSTROSWGUSCU-INIZCTEOSA-N 439.472 0.761 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)c(C(F)(F)F)n1 1843168899 GAIUJIRPUOETDP-UHFFFAOYSA-N 435.410 0.629 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1846998517 DSEHFPSMPKXTIE-HKUYNNGSSA-N 446.548 0.975 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 29709797 UNPQWQLNSBDBIE-MRXNPFEDSA-N 449.577 0.933 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 409542634 BYCRHLPCJRYPMQ-UHFFFAOYSA-N 437.566 0.966 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc(OC)c1 442014109 SFGNZDYXFQAUNB-UHFFFAOYSA-N 442.476 1.563 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CC(N)=O)C3CCOCC3)n2)c(Cl)c1 442141836 UYBPYZAWVLZDPE-OAHLLOKOSA-N 444.879 1.123 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 446140544 VQNPGUAQPFMJCY-AWEZNQCLSA-N 444.517 0.836 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 446793724 QSNOUBRZUWNRNK-WBVHZDCISA-N 425.507 0.365 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 460791687 GOPCIQWLHILQKQ-UHFFFAOYSA-N 438.429 0.596 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 481156662 SJENQDZNYUQFBM-RHSMWYFYSA-N 444.517 0.753 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)cc1 484089091 XEEZIZXDKRXYHQ-QGZVFWFLSA-N 425.532 0.652 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)C1=O 485627288 MITIYBITDHHOMI-AWEZNQCLSA-N 448.501 0.723 30 20 ICED CC(C)[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 488072693 KKPDTKJFSGJICY-IBGZPJMESA-N 433.578 0.663 30 20 ICED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 488810053 PHEBCNQNFKRGEK-UHFFFAOYSA-N 445.457 0.031 30 20 ICED COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1[N+](=O)[O-] 501559513 AOOYHCDACNRIJX-CQSZACIVSA-N 439.494 0.670 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 506655676 LEPLAOMNBSRDDC-GOSISDBHSA-N 439.476 0.834 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 509949494 QPMGCXYSLUMFSJ-ZDUSSCGKSA-N 426.524 0.348 30 20 ICED COCCCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 515975678 BGGMVYILEHUSPP-UHFFFAOYSA-N 436.534 0.883 30 20 ICED C=CCc1ccc(OC[C@H](O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(OC)c1 533056970 KSOWKLRCDCHUBY-QRVBRYPASA-N 440.562 0.251 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377310 UZGWZSKWWZQCEM-INIZCTEOSA-N 448.545 0.913 30 20 ICED CCCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 536763786 WPYLTQODIMTWAG-UHFFFAOYSA-N 444.517 0.716 30 20 ICED C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 537334920 VSPUULJYTDXIPJ-XJKSGUPXSA-N 433.490 0.256 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CCN(C)C3)c2)c1 546589361 QJYPBYQCFCSAGC-XMMPIXPASA-N 435.480 0.994 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N1CCN(C)CC1 550381711 LUUHYFMLHYSXAH-JOCHJYFZSA-N 442.608 0.837 30 20 ICED N#C[C@@]1(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCc2ccccc2C1 555341244 SUTOVWZZTKBSPB-HXUWFJFHSA-N 426.454 0.809 30 20 ICED CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)NCC(=O)NCC#N 573828266 OARLVEPGFDKRFC-CYBMUJFWSA-N 430.324 0.798 30 20 ICED COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 574125248 FUNZNACPYGKJPT-UHFFFAOYSA-N 432.444 0.830 30 20 ICED CO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 578670963 LZOBKOMPQNPRPA-CJNGLKHVSA-N 440.460 0.919 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)CC2)nc1 587640565 LSFBTNYBFZGXSI-GOSISDBHSA-N 426.521 0.219 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c1 589278660 WLDPVVBRUGGVJB-UHFFFAOYSA-N 434.499 0.503 30 20 ICED N#CCn1c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 609881447 PRDFQPQJUPBXAX-KRWDZBQOSA-N 443.529 0.226 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492471 MXCMGKZTMHFFHV-UHFFFAOYSA-N 432.433 0.561 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 672355873 IWAPWMJEZQTDPS-UHFFFAOYSA-N 427.549 0.214 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 678754764 MICKHYCQNBCFPQ-QGZVFWFLSA-N 431.537 0.136 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCOC)c2=O)s1 731203770 VUPLWWRMIAPDEN-ZDUSSCGKSA-N 435.571 0.834 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 734041163 VNFMYEOJLFFHPZ-CQSZACIVSA-N 448.501 0.573 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C 735493368 OYXOWKJIKHCSGE-PMACEKPBSA-N 434.562 0.638 30 20 ICED CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742531367 HQZLLNDODADHMH-OAHLLOKOSA-N 435.550 0.174 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCc1cccs1 743728470 RMMAKIZPNNELCE-UHFFFAOYSA-N 443.554 0.306 30 20 ICED COc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc(OC)c1OC 746432873 MSPJIHSBXMJWDA-UHFFFAOYSA-N 442.476 0.715 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 747733448 SYJKSAKSRCJFNK-OSICKASQSA-N 436.512 0.778 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 747823992 ZBWONRYKBBPKPR-UHFFFAOYSA-N 448.545 0.107 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)CC1 748809715 HUNZKMVUBGPFTR-UHFFFAOYSA-N 432.590 0.723 30 20 ICED C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 749752136 QUDUJPYPJPRXHZ-JBWVZOQYSA-N 437.522 0.598 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 749875071 SXLKAIOGUAJBGI-IBGZPJMESA-N 433.306 0.994 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 750310788 DSTRNRSQKWVTNR-OAHLLOKOSA-N 425.453 0.116 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 759951456 IOZLSAHOJDIMCS-MPUISCFQSA-N 443.551 0.784 30 20 ICED COC(=O)Cn1cc([C@H](C)OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 770705117 KDTKPVOSQOXDSU-WFASDCNBSA-N 440.416 0.832 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)Cc1cnn(C)c1 774271792 PDVMYIGVJASVMD-AEFFLSMTSA-N 447.561 0.985 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCN2CCNC(=O)C2)C1=O 781104002 IHAKNWWUMSRXBK-MRXNPFEDSA-N 449.533 0.203 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 783014407 OOOHINAYIDZFIK-UHFFFAOYSA-N 436.600 0.424 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@H]1CCS(=O)(=O)C1 783480660 LFLAGXJQWZXQAI-INIZCTEOSA-N 427.486 0.937 30 20 ICED COC(=O)C1(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCCC1 795327565 PDXKHUDMEIWVLO-UHFFFAOYSA-N 437.474 0.372 30 20 ICED CCc1oc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1C(=O)OC 800847260 VRJYRPCLPNWSOO-UHFFFAOYSA-N 445.497 0.280 30 20 ICED C#CCN=c1nc(N2CCO[C@H]([C@@H]3CCCO3)C2)[nH]c(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 804544052 FMLOLNVCVHPONE-VJANTYMQSA-N 444.536 0.107 30 20 ICED C=C(Br)CNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 809646447 BJVJUFWRWLYJIG-JKSUJKDBSA-N 435.322 0.726 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812279354 VIGQGMNTSVOODC-UHFFFAOYSA-N 449.508 0.293 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 813981452 BHYVLDZQOYUMKB-UHFFFAOYSA-N 436.471 0.093 30 20 ICED O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 816756661 BRRBWQOACDJMOK-CYBMUJFWSA-N 432.296 1.000 30 20 ICED Cn1c(=O)c2nc(Br)n(C[C@@H](O)COc3ccc(CC#N)cc3)c2n(C)c1=O 818383519 QKKLOVIAPXNBAZ-GFCCVEGCSA-N 448.277 0.702 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844257397 OBGNRCQTLZOHOY-UHFFFAOYSA-N 438.444 0.609 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2-c2ccc(OC(F)F)cc2)c1=O 918716403 UOIZVHUGHDFBLZ-UHFFFAOYSA-N 433.375 0.169 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1519166999 ZZPSSOCTXVLDKN-QAPCUYQASA-N 427.527 0.352 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1554430238 PGGXHFRZJVRQMQ-QGZVFWFLSA-N 435.492 0.983 30 20 ICED COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1554529090 XRNNGLOECRMUIF-UHFFFAOYSA-N 432.506 0.755 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1555529201 LVXMDNABDBIBEZ-UHFFFAOYSA-N 427.509 0.585 30 20 ICED CO[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1618995809 ULZOYOHMXXQQOY-IRXDYDNUSA-N 438.554 0.776 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1626675692 PDWIXODKURYUHK-DYVFJYSZSA-N 425.532 0.651 30 20 ICED Cn1cc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 1632714702 BTXZXKWSQLMZHY-IBGZPJMESA-N 436.516 0.756 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1692541828 WLVUMUDQOFMLSB-WMZOPIPTSA-N 430.557 0.314 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706556246 TZTRVTMBFJCSPE-YJBOKZPZSA-N 443.549 0.393 30 20 ICED CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1749809525 PDWWAPIGAWDNMR-DLBZAZTESA-N 436.538 0.167 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)[C@H](C)C1 1749851045 LTOBOSHNHUTWGN-CQSZACIVSA-N 431.522 0.423 30 20 ICED 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0.431 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786674 DLSNFLYCVYMPAW-YWZLYKJASA-N 449.464 0.387 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844629 RRFKNUZBODDRRL-XZHCTYTHSA-N 449.573 0.464 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783901815 ZMEVFBCMTDWMRT-IQUTYRLHSA-N 431.555 0.410 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783904127 NNTNZJFRPWPVFR-IUKKYPGJSA-N 449.548 0.990 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1785363191 QQNZSEZJWHUZTA-HXUWFJFHSA-N 432.502 0.622 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1785378532 HWWIGDFOKSGNSO-GGAORHGYSA-N 435.484 0.862 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1785572289 KGGYFQKNBDKUOR-VGSWGCGISA-N 443.504 0.837 30 20 ICED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1786358532 SGEREYZAKSUGOG-CYBMUJFWSA-N 435.444 0.599 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1786560282 ISUGGYNBEYDJCC-FHWLQOOXSA-N 430.468 0.769 30 20 ICED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccccn1 1786869888 VSAJPRZBFGUVHI-SSZZMFJQSA-N 425.489 0.773 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788292303 SMHXCZCGXHOOQS-LEUOFYLZSA-N 427.505 0.896 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788601029 DHWMUCKBVBPYBW-IYFOPHGASA-N 444.492 0.240 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907422 HUKLNVWXFAPEPW-SJVNDZIOSA-N 430.480 0.744 30 20 ICED C=CCO[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 1790173657 HUFAMQCNWOYGTM-IMPIEMTGSA-N 441.525 0.400 30 20 ICED 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0.976 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838834408 ZMWDAGDUAYNFIT-KKSFZXQISA-N 436.509 0.072 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839036830 PQTHRZYULJCGBH-VFNWGFHPSA-N 432.452 0.314 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1 1839064364 WEHCYRMUDZRLHV-QPPBQGQZSA-N 425.529 0.836 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1Cl 1839078866 JRNUSLAMQCCDRO-WJPUGNRLSA-N 448.907 0.004 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c(C#N)c1 1839133172 BNLKMGQWRSRPHM-QHCPKHFHSA-N 442.516 0.127 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)ccc1F 1839186330 NCGJEOIVTLOSIV-QFIPXVFZSA-N 439.447 0.800 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371824 QWKMJYLIIALLAY-FXAWDEMLSA-N 440.518 0.828 30 20 ICED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1839867217 UZLFJUVMDWYZOO-JTSKRJEESA-N 445.903 0.284 30 20 ICED Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1 1840043050 FJZJKEJDZSEVOS-QFIPXVFZSA-N 445.472 0.092 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840162019 JJVAZQXNQJWCOQ-ZUOKHONESA-N 434.518 0.667 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269992 JAUAYKQTGPWALK-UBUILKLXSA-N 436.553 0.466 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325837 VZJCWWBSKZZPLP-OAQYLSRUSA-N 434.493 0.308 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840818352 XLZHDQUNWSLTAH-QFIPXVFZSA-N 427.457 0.373 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840900813 TZLQQMYQYRILKE-MHECFPHRSA-N 439.512 0.675 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1)CCO2 1840955539 WFRIIKZSTOQGEN-QFIPXVFZSA-N 435.521 0.723 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)cc1 1841099656 OKLBOOMBJMLMPT-UHFFFAOYSA-N 432.484 0.948 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301460 OYPIHPKEXJNDOX-WTINIBDJSA-N 439.465 0.214 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1cccnc1 1846194629 YAXXCBDCHPLPRJ-GOSISDBHSA-N 442.472 0.939 30 20 ICED COCCN(C(=O)CN(C)Cc1cccc(C#N)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 26325112 CHZMITBYSOFAFQ-UHFFFAOYSA-N 442.520 0.758 30 20 ICED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 427662723 LJPYPAUIWZZOKD-OAHLLOKOSA-N 440.479 1.533 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 436926999 PYESCNBMAJINGG-UHFFFAOYSA-N 436.534 0.865 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 446357198 IURJRDARRYDVDT-UHFFFAOYSA-N 427.513 0.939 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 463195789 GBPCGWZYXKNXAN-LJQANCHMSA-N 431.518 0.962 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C#N 463801340 SFIZDSVOLKMXSY-UHFFFAOYSA-N 436.856 0.952 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 465420003 XQJXZYYATHVUJS-CQSZACIVSA-N 442.501 0.569 30 20 ICED C=CC[C@@H](CC)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 467685330 KKPVWGWFMLVBPS-UKRRQHHQSA-N 425.507 0.841 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1C#N 472279120 RQFHWNHUUXCCAY-UHFFFAOYSA-N 425.405 0.765 30 20 ICED COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472888517 OTAMBBWOGAEUPB-UHFFFAOYSA-N 440.460 0.683 30 20 ICED N#C[C@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCOC1 478650809 LKKIMJQMSTXOHT-LJQANCHMSA-N 438.481 0.238 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O 480946915 ADGQKYQORLMOHX-UHFFFAOYSA-N 442.522 0.678 30 20 ICED C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CCS(=O)(=O)C1 482596201 FOHJASARURROLH-AWEZNQCLSA-N 444.535 0.310 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 483457628 JNRMBNMMWBPPOZ-ZDUSSCGKSA-N 446.576 0.872 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 502121736 KBOXSDIHOVOHOX-OAHLLOKOSA-N 442.540 0.486 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nn1CCC#N 504027137 URHHNKRWFJKMSI-SJLPKXTDSA-N 443.552 0.883 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508840499 LICLWLNISMZMAD-RDJZCZTQSA-N 447.565 0.423 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 510232741 ZGVBGFSBGSKDCS-APWZRJJASA-N 447.561 0.847 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccccc3S(N)(=O)=O)n2)c(F)c1 511325463 MNRRIDKVFPAIFH-UHFFFAOYSA-N 442.432 0.785 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1=O 515708454 LGNICVGEDTUGIF-RTBURBONSA-N 430.574 0.966 30 20 ICED CC1(C)NC(=O)N(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 518027924 WIDHSDVUMREBDP-UHFFFAOYSA-N 427.440 0.844 30 20 ICED COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCC#N)CC2)c(C(=O)OC)c1C 523355953 VOLGWOQCCPZFCL-UHFFFAOYSA-N 443.503 0.670 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 533837620 BQQZDYFVVIDZKC-UHFFFAOYSA-N 438.550 0.660 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 535828402 SEAXGSAKXOXILB-YVEFUNNKSA-N 441.469 0.614 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536419213 FLCQEVDVTFDKDU-QGZVFWFLSA-N 444.517 0.840 30 20 ICED C=CC[C@@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 539322363 OUOYPLYUYOTTDJ-MRXNPFEDSA-N 441.525 0.740 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)CC2)c1C#N 550705937 XUMFJXGUDNZACS-UHFFFAOYSA-N 446.515 0.793 30 20 ICED COCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 571596506 VXJULDIVBVNDJD-LJQANCHMSA-N 428.489 0.824 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2=O)cc1 588869850 ORLVLOQKOZHNJW-HXUWFJFHSA-N 445.479 0.651 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 603857020 MCNSZCQEWBGXHK-AWEZNQCLSA-N 434.522 0.583 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 611078568 IPQOGERAEJNLMM-UHFFFAOYSA-N 436.896 0.463 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 618864051 RDCWKGZPCVTTLS-UHFFFAOYSA-N 438.506 0.807 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)NC1CCCCC1 732466402 NFEBFVGFBCFKNN-FMQUCBEESA-N 432.525 0.289 30 20 ICED CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 752139952 OLPRIAFJLOSOKQ-ACIHENLCSA-N 438.506 0.753 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 754449836 QRDVVUFIOXHQCN-OHZJNBGDSA-N 435.531 0.274 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1CCOC 755626741 CIFIWVFOINJKST-HNNXBMFYSA-N 446.554 0.669 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C#N 757757925 MDCMKQIDIRADFP-OAHLLOKOSA-N 433.513 0.888 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc3ccc(OCC)cc3s2)CC1 761038734 YLMZXKUWLRZMSL-UHFFFAOYSA-N 437.547 0.719 30 20 ICED C[C@H](C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 764553430 CXODWVUIWPQHFI-FBCURVMUSA-N 429.454 0.819 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2nnnn2CC2CC2)C1=O 769748952 HFLJKNYVMBQIKL-BIDVBJRCSA-N 428.522 0.657 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12 782049432 RELZWBNYPGNWSY-UHFFFAOYSA-N 443.441 0.684 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782793107 NLPVVUOJZRWIPO-UHFFFAOYSA-N 429.473 0.346 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 783474788 JHNDXINXXOKPKJ-JTDSTZFVSA-N 433.530 0.888 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783478961 HMJBPJDUCNNIDS-INIZCTEOSA-N 436.486 0.606 30 20 ICED C[C@H]1C[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)C1 784249969 CEFQXCNSWKLUQU-PHZGNYQRSA-N 444.488 0.860 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1=O 785285761 RXKIHJDQPPKDBC-GFCCVEGCSA-N 427.335 0.622 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCC2CC3)c1 787919947 NWZHTRWQNDEPHU-RELWKKBWSA-N 433.534 0.745 30 20 ICED Cc1oc(NC(=O)COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(C#N)c1C 789109249 ADECDBSDZGMLBL-IBGZPJMESA-N 432.433 0.865 30 20 ICED COC(=O)[C@H](CSCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1)NC(C)=O 790001080 GJVRDWUDYKKNBF-OALUTQOASA-N 448.545 0.815 30 20 ICED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nc1 796716201 XGQXEHRNYSAESX-HNNXBMFYSA-N 436.490 0.937 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@H]3C#N)ccc2F)CC1 800933351 ODDWLEIZXXZIGQ-OAHLLOKOSA-N 440.522 0.760 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804019852 UVMRUIHRCSSUFQ-IRXDYDNUSA-N 427.461 0.122 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808238102 RWARQDMNPLKNTG-QZTJIDSGSA-N 441.488 0.512 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387195 IPBCVLZOQZOGMY-ZWKOTPCHSA-N 432.550 0.803 30 20 ICED N#C[C@H](C(=O)CCCN1C(=O)CCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012802 DQRUSUYKOQCZGA-QGZVFWFLSA-N 441.444 0.881 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1257419300 NQZLVYMJGSQQFB-UHFFFAOYSA-N 447.517 0.541 30 20 ICED CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296120723 KLROZNVBLKEYLJ-MSOLQXFVSA-N 430.557 0.269 30 20 ICED CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1303978478 OXDJZUGWQHVYCC-UHFFFAOYSA-N 434.522 0.893 30 20 ICED COC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1315803327 JYZGRDCDYNRFOV-HOTGVXAUSA-N 442.542 0.012 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1452886656 OJUBHDYPCYIBTD-INIZCTEOSA-N 445.549 0.746 30 20 ICED CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1517014741 KJWXCQOYENCAOL-UTKZUKDTSA-N 432.548 0.945 30 20 ICED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539799150 NAYHWUSUQFABCX-CQSZACIVSA-N 430.900 0.802 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1596831686 PMGSKZOOVNIFME-XUWXXGDYSA-N 426.543 0.368 30 20 ICED COC(=O)CN(Cc1cccc(Br)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1640050272 RFVQDDAPHVLIAI-UHFFFAOYSA-N 435.234 0.785 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1696047034 JZYYMJMZLMGDSR-NRFANRHFSA-N 432.525 0.919 30 20 ICED C[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCO1 1724042160 PCEBKBFTZDPDDD-QFBILLFUSA-N 438.554 0.920 30 20 ICED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1=O 1746426569 CAYZPFAJRKGWOX-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1763298047 YUYJFYMFQOVTLX-KRWDZBQOSA-N 445.549 0.861 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1=O 1769896063 GPHGERHLXVZHNM-NRFANRHFSA-N 426.477 0.263 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1770343608 OPPYAMAPJAMSFB-KDOFPFPSSA-N 439.517 0.380 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778354691 RFJMLZQAGDPNFP-DEOSSOPVSA-N 438.528 0.032 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778426711 TZZRQVLEBZZOQN-XBKFQHLESA-N 435.484 0.932 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065605 YSLGNWMZLUEENI-JPYJTQIMSA-N 441.532 0.806 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779335894 LTCTZZCLCLPQJQ-XCGNWRKASA-N 442.520 0.825 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)c1 1780336090 ZXJNDKWSXXDQOB-HXUWFJFHSA-N 440.416 0.100 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782469940 NECPYQOKCPMLPP-WOIUINJBSA-N 429.521 0.384 30 20 ICED CCN(CC)[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1782818088 JXSJGSTZMFTNTR-GGAORHGYSA-N 427.501 0.987 30 20 ICED 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30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835644259 VUQMLAMTHKNPJR-IBGZPJMESA-N 428.555 0.442 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1837398988 LFLOJOKMDNPNQL-MBSDFSHPSA-N 446.548 0.791 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(CC)noc1C)CCO2 1838052866 MBJWXZKBNCZUHT-DYRFGFBLSA-N 446.504 0.474 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595392 NMHHBRRXJZWIHM-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767660 NZICHIHDYPUXHL-QGZVFWFLSA-N 429.399 0.697 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839174924 DWFFQBCSWGQNNW-HPARJBSBSA-N 447.488 0.664 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839225780 UBHUGHDGQOUDMO-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227414 PZCSWHBWXXSGCV-WWMYMODYSA-N 440.541 0.549 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839315988 WCPTVVQXMCKFKY-JOCHJYFZSA-N 448.495 0.883 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361813 GCNJDGYLCLJWGZ-HXOBKFHXSA-N 442.516 0.689 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3onc4ccccc34)CCO2)C1 1839544429 AMORIWGAEXCPDP-OPAMFIHVSA-N 427.457 0.936 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663770 NORHBCSTMVQGAZ-QFIPXVFZSA-N 432.521 0.692 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1839811184 LLZDIWBRPWSOHR-QVKFZJNVSA-N 435.477 0.002 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccccc1 1839859677 YXDILIRSZWUSND-ZJSXRUAMSA-N 441.528 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C2)C1 1840042130 CCOXTSWMJMXOMH-HXUWFJFHSA-N 446.847 0.374 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840067089 SVEITFDHKUWNSS-QFIPXVFZSA-N 433.480 0.922 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1840293364 XFWRHAKITRBVGG-JOCHJYFZSA-N 432.521 0.793 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1840840780 NJCIZEPQDMZIAD-OFNKIYASSA-N 443.500 0.954 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844333995 ZTWNWCJOYAMFBF-INIZCTEOSA-N 448.483 0.749 30 20 ICED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195376 JVYIMFUTYZXTNS-AWEZNQCLSA-N 439.534 0.924 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)n(C)n1)C2 1847070031 CIRYXLMDEQIVAA-AWEZNQCLSA-N 431.493 0.859 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 409567167 JVPGBGPHNWRBRN-UHFFFAOYSA-N 438.550 0.879 30 20 ICED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 432999168 KTCMXDHYEVABQG-UHFFFAOYSA-N 446.323 0.817 30 20 ICED C[C@]1(CNS(=O)(=O)c2cccnc2C#N)CCN(S(=O)(=O)c2cccnc2C#N)C1 443217033 CWQKXSXCFVOILL-GOSISDBHSA-N 446.514 0.599 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCSC 443567789 UJQNVBNYPMRCFK-UHFFFAOYSA-N 433.555 0.547 30 20 ICED CCN1CCC(n2nccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)CC1 446533009 VVQRMTRMJAJUGZ-UHFFFAOYSA-N 431.541 0.553 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cn1 462093113 ONLLXRKTYGWSLD-GOSISDBHSA-N 446.471 0.863 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN3CCCC3)c2)cc1 462855751 QWHCSNSYOOQIJW-IBGZPJMESA-N 440.504 0.833 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 464803914 BKVYZTMMTQGKSG-MISMHTLLSA-N 435.488 0.375 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471682252 GOISLUOVWQHLJX-UHFFFAOYSA-N 446.533 0.487 30 20 ICED N#CCC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 476821792 RCTDZABEGRAVLT-GFCCVEGCSA-N 448.423 0.105 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 478251894 NJFWRQVTUOOJEU-CYBMUJFWSA-N 437.499 0.630 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478858371 VGIWUGPIFSYAHK-AWEZNQCLSA-N 432.571 0.895 30 20 ICED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480296351 UKVNYSIIJGMNGH-IAGOWNOFSA-N 441.531 0.536 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 483117389 IHDFSCHSJLGNKI-ZFWWWQNUSA-N 447.469 0.510 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)cn1C 484573362 OEHOKONOHNQNPO-UHFFFAOYSA-N 434.453 0.211 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1=O 499187675 JNHKFPSBQQKAGJ-CYBMUJFWSA-N 437.250 0.539 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccc1Cl 504748033 KDTCDHNYEDNFAK-HNNXBMFYSA-N 440.909 0.803 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc2c1OCO2 514521169 FJFPJLJXJVMOBS-UHFFFAOYSA-N 425.466 0.764 30 20 ICED N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 515105990 BWECIBINIKQAND-UHFFFAOYSA-N 449.514 0.744 30 20 ICED C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516435142 IEEHMKJQSZATFP-CYBMUJFWSA-N 447.546 0.893 30 20 ICED C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518124497 NBZNDALCDRYCCT-ZDUSSCGKSA-N 447.546 0.893 30 20 ICED C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 520186706 SLUFDONDTIDSKA-AWEZNQCLSA-N 446.471 0.997 30 20 ICED COCCn1c(N)c(C(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(O)nc1=O 532965720 FIKYIMCUKXNJQB-UHFFFAOYSA-N 427.461 0.775 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 543617311 SHHCMTUFLBOXOO-MRXNPFEDSA-N 449.519 0.873 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CC1 549723099 PKLBVQWKBAIANG-UHFFFAOYSA-N 446.455 0.222 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 552884571 DMEOFBSBKHJOTA-QFBILLFUSA-N 427.505 0.254 30 20 ICED COCCNC(=O)CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 556508819 YESMCOSCDWQHJK-UHFFFAOYSA-N 426.477 0.859 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCS(=O)(=O)c3ccccc3)CC2)n1 557085391 XLQBHGBTZJSQPX-UHFFFAOYSA-N 441.513 0.582 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 561706612 HZSNVISTSFFASP-LPHOPBHVSA-N 441.532 0.079 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 569526279 ZHFUAIOKCZYKSG-LLVKDONJSA-N 433.456 0.786 30 20 ICED CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 571716858 NLSHVLFTJYJXCC-AWEZNQCLSA-N 446.533 0.623 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 583638467 YIHBVTOADQQEEC-HNNXBMFYSA-N 429.458 0.480 30 20 ICED C[C@@](CO)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 609483788 DVFLKSGGZSRWTN-QFIPXVFZSA-N 442.541 0.888 30 20 ICED COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611595577 ZBUAQDLLRRLMEZ-UHFFFAOYSA-N 428.424 0.575 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2c(F)cccc2F)CC1 727670533 CDJREIQDKXTGCT-UHFFFAOYSA-N 448.451 0.988 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 729256768 HNSIZULJAOOJBN-UHFFFAOYSA-N 436.534 0.270 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 730099060 YPFFUMPEPLBRMC-GVDBMIGSSA-N 433.534 0.591 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731294505 JWABOYKATRBREB-UHFFFAOYSA-N 441.506 0.778 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1C(=O)OC 743885097 YJMOFWKYBXJGML-UHFFFAOYSA-N 425.401 0.693 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 744007615 JXANTCXARPJRAY-UHFFFAOYSA-N 435.483 0.539 30 20 ICED C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 746045756 JQMGCGMKNNQVBY-ACNSNUFOSA-N 435.550 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 758058538 MINICABUDILXIU-LJQANCHMSA-N 449.532 0.906 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC(=O)NCCO)c1 759925182 ZERNLIKXOUXLNY-JWGURIENSA-N 425.511 0.510 30 20 ICED O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 765489967 OOFPZNXYHGHCOY-QURGRASLSA-N 425.489 0.758 30 20 ICED COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1OC 766990076 FVFAPOYIPHHRIE-UHFFFAOYSA-N 433.442 0.819 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)oc2C)c1=O 767953666 USRVEPWVLZNDEZ-UHFFFAOYSA-N 426.542 0.973 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2nn(CC)c3ccccc23)c1=O 769886688 RAURSJMQSJKYBP-UHFFFAOYSA-N 447.520 0.274 30 20 ICED NC(=O)c1cc(S(=O)(=O)NCC(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)c[nH]1 771365475 YGXCQQFVOSWCAX-UHFFFAOYSA-N 445.375 0.885 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)[C@@H]1CCCO1 773562887 UOGZMJWQTZRQON-ZFWWWQNUSA-N 435.531 0.888 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945263 DMRRMHQFYDGPBK-UHFFFAOYSA-N 426.429 0.716 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 786900819 LETGTTHXMLPRJI-UHFFFAOYSA-N 447.429 0.484 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)OC)CC1 788601185 PPMRRVIQOXKZLA-MRXNPFEDSA-N 436.534 0.601 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 789328972 GUNVEADWTBCMJL-UHFFFAOYSA-N 448.549 0.476 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795189047 ZNUQWVPQXGRGRQ-WMLDXEAASA-N 443.573 0.796 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 797378485 YUIITARALLWALP-RPSCTFGOSA-N 434.518 0.979 30 20 ICED C=CCN1CC[C@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1=O 798602314 QILCLHCCMXENFI-ZBFHGGJFSA-N 434.470 0.954 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc(C(=O)C(=O)OCC)n(C)c2)c1 804975545 PDRYYERNKQYBAC-UHFFFAOYSA-N 431.470 0.694 30 20 ICED NC(=O)N1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 812379874 YRKLWLSYQIFDAN-UHFFFAOYSA-N 426.455 0.558 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2cnn(C)n2)C1=O 814709340 ZXBSUSRUDHJBBE-HNNXBMFYSA-N 429.506 0.614 30 20 ICED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 815337807 BESVFCOUYZOFQV-UHFFFAOYSA-N 428.470 0.952 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(-n4cnnn4)c3)cc2C1=O 916656517 QKLFHNIYOAWBCN-UHFFFAOYSA-N 438.425 0.563 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCC4(CC3)OCCO4)CC2)cc1 917063339 HXHAHKMVUSSQTQ-UHFFFAOYSA-N 448.545 0.666 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 917129071 PSWWNGJVOXTMCX-CQSZACIVSA-N 442.563 0.293 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(N(C)C)CC2)c1 918433189 JWYYNQPSYZGNDB-PYCFMQQDSA-N 435.550 0.991 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(CC(N)=O)C1 1116054277 MFEZWCFHUBCHDW-HOCLYGCPSA-N 435.550 0.206 30 20 ICED N#Cc1cccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 1141242229 SSXSMJWWZOSEPV-UHFFFAOYSA-N 442.501 0.332 30 20 ICED C[C@@H](CCN1CCN(C)CC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255096108 QFFFLJJIRUTVGS-QFBILLFUSA-N 426.521 0.905 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1299075693 VVQRSHQFXYSJPG-INIZCTEOSA-N 431.522 0.328 30 20 ICED CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1301796093 RQBXPOZNOZBJGO-WMZOPIPTSA-N 444.517 0.916 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1318992941 XRJDXKKFCPNSAD-QURGRASLSA-N 431.537 0.696 30 20 ICED C#CCNC(=O)C1CCN(Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC1 1325286323 SZHGVKBDCRDXGS-INIZCTEOSA-N 434.566 0.430 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)F)n1 1511709489 FOMFJBNAAWXOIN-INIZCTEOSA-N 447.494 0.698 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ncc2c(c1C#N)COCC2 1536737039 VVLDGSZWWPNVBL-UHFFFAOYSA-N 431.474 0.638 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCC1 1541908011 IJPQYBQMBDFDOB-CHWSQXEVSA-N 432.572 0.594 30 20 ICED CN(C)C(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1618510609 NZOHYKJWXZOGQY-OAHLLOKOSA-N 426.477 0.865 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)c1ccccc1 1692802020 OBFLZOAQIMUHCK-WBVHZDCISA-N 433.538 0.753 30 20 ICED CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1750531818 QHBWZIBIXCFVFQ-BEFAXECRSA-N 440.570 0.902 30 20 ICED CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762401991 GKHBZEWUXCLVDX-GOEBONIOSA-N 439.586 0.616 30 20 ICED CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1764418013 WOQZWXPBKLYQMU-JKSUJKDBSA-N 438.554 0.920 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768428345 ODFKGFDYAUTTAO-KSZLIROESA-N 431.541 0.453 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CCO1 1771537764 VBMDQKJDLBWUGL-SWLSCSKDSA-N 434.403 0.901 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777966121 BOTWDKLCOLRAPN-GSHUGGBRSA-N 437.537 0.799 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380120 JNENQQFNEJHKSU-JTSKRJEESA-N 445.520 0.033 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1778971831 NIVPWRWQXGBAJH-QMHKHESXSA-N 441.484 0.838 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1)C(=O)O 1779394952 GMKZXEZUEPCMAC-NJNPRVFISA-N 449.548 0.262 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173719 CNNIWIPBFSBIKY-OAQYLSRUSA-N 445.545 0.494 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1780173758 DFSVHOLDTLQBBU-FQEVSTJZSA-N 440.416 0.955 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334854 NZZRPHZNAALDPX-HRAATJIYSA-N 447.492 0.215 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C2 1780735390 VLTHIDMDCYXZTR-VGOFRKELSA-N 437.537 0.924 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1781689109 NOEPYPKSSLSBNK-LRXVAGHRSA-N 447.557 0.809 30 20 ICED 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1840813979 IRESWHUEDCYDRM-NRFANRHFSA-N 429.477 0.429 30 20 ICED Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cnn2c1 1840814092 NRBGDCXRPIEFBA-QFIPXVFZSA-N 438.488 0.802 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840906584 GCJDJFHMRVTJHU-IIBYNOLFSA-N 434.493 0.273 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842057174 CSFKBYPGINOTOX-AWEZNQCLSA-N 442.520 0.478 30 20 ICED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC)c21 1848213176 DVQOXUZZTZFTQF-XIRDDKMYSA-N 442.520 0.967 30 20 ICED CN(C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21)C1(C#N)CCCCC1 16627773 HDAKPFIHXHVVRH-UHFFFAOYSA-N 437.298 0.881 30 20 ICED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409503970 SQACUEHFQGQXAC-SJORKVTESA-N 442.925 0.641 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 410145324 KULCVYWIBOEQFU-UHFFFAOYSA-N 449.577 0.690 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)n1 434422496 ASRKIGCYMYRQSI-UHFFFAOYSA-N 448.418 0.791 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 435207797 NPSHYZMWQFZAPC-KRWDZBQOSA-N 434.518 0.567 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)s1 435427070 LARXTWLCJSHNSV-CQSZACIVSA-N 433.577 0.520 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 436127427 KZJATJZGGPWTHT-AWEZNQCLSA-N 428.898 0.524 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439097689 JWVNOVAKGNFOOR-UHFFFAOYSA-N 426.442 0.698 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 441205677 VAXGRGABRQCGGA-OAQYLSRUSA-N 427.461 0.378 30 20 ICED CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446526962 BRMFGBOCPZAKEC-UHFFFAOYSA-N 429.521 0.767 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)CN1CCC(C)CC1 460589717 BHDYBLJUMUBIND-KRWDZBQOSA-N 425.493 0.595 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 465423192 QJTKUNOKQXPCBK-CYBMUJFWSA-N 439.451 0.865 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472095674 QKSJZNUFVBAECM-UHFFFAOYSA-N 431.522 0.540 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 477092525 SUBGAJJXUQFDRM-UHFFFAOYSA-N 445.530 0.378 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccsc1 479373680 VASLGQGVZNIMIP-UHFFFAOYSA-N 438.490 0.787 30 20 ICED N#C[C@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 482457234 SLMCDSWJPAAINU-INIZCTEOSA-N 438.481 0.190 30 20 ICED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485995035 XVLFJTMJPWXRPQ-KRWDZBQOSA-N 428.470 0.745 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n(C)c1 487133522 XUEQXSHIVGZTPQ-RNODOKPDSA-N 427.486 0.761 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2C)c1=O 488122890 VRXKQMKWEFJVSN-UHFFFAOYSA-N 445.566 0.388 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 491260251 UNQSBNZPNXVDDT-UHFFFAOYSA-N 442.476 0.342 30 20 ICED C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508941005 GAVDSNPNIPSKJY-CYBMUJFWSA-N 432.456 0.333 30 20 ICED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)cc1 513581102 UOLRZFVCBHCJFC-UHFFFAOYSA-N 435.484 0.818 30 20 ICED COc1cccc(C(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 519093770 YTIDEXRVGBNWRG-UHFFFAOYSA-N 430.486 0.734 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)C1=O 522994561 XMEXSCAEGHOSIB-UHFFFAOYSA-N 436.490 0.107 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 533058466 LVKBVTZYVZPOSS-WOJBJXKFSA-N 434.562 0.638 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 539357264 WGOKKICKVCOUSE-CQSZACIVSA-N 448.553 0.695 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542072538 LAXUUSMQSIMPQB-ZDUSSCGKSA-N 434.453 0.362 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 544820631 LRJCMAZMSSYEHG-BBRMVZONSA-N 438.506 0.045 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 545465647 XNZNYNZEQFEQDQ-AWEZNQCLSA-N 449.407 0.646 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCN(C)CC1 550380861 BNNLNDUGAZFTPV-LJQANCHMSA-N 426.565 0.854 30 20 ICED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 555895304 ZAZMYWYYCZKKCZ-XLIONFOSSA-N 432.484 0.942 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 557089433 GHQXORRDVXHKQD-UHFFFAOYSA-N 432.506 0.235 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](Cn4cccn4)C3)C2)c(F)c1 558040527 LJDJOTWTUKNPEQ-MSOLQXFVSA-N 440.479 0.906 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)ncn1 558340589 PYOZUTHVRFOFIZ-LJQANCHMSA-N 448.531 0.739 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C#N 559538399 MOEFTUFDNVDOEQ-UHFFFAOYSA-N 431.518 0.805 30 20 ICED COCCc1noc(CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 561703809 FMBWUDFOPCQFLJ-INIZCTEOSA-N 440.460 0.400 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 561706615 HZSNVISTSFFASP-QFBILLFUSA-N 441.532 0.079 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)c1 564533923 ZCPCYTXZCZDPCV-QGZVFWFLSA-N 428.470 0.593 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)c1C#N 578055735 UQQVXBXQBUMYFK-UHFFFAOYSA-N 444.459 0.340 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCO1 587653687 IQEYALRANYOTFC-QGZVFWFLSA-N 428.537 0.655 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589491844 QVMLOYPECRKSSB-JOCHJYFZSA-N 442.541 0.932 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 728573825 WIVZZSIVXATHFT-UHFFFAOYSA-N 444.491 0.768 30 20 ICED COCCN1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 729068899 BLCWCXCJHAXOAO-VXGBXAGGSA-N 432.389 0.508 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)COc3ccccc3C#N)CC2)ccc1=O 729210104 ZGGLIXNDKUJWAZ-UHFFFAOYSA-N 425.445 0.032 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)Cc3ccc(OCC#N)cc3)CC2)ccc1=O 732502583 ZRXDSSGGJLACSR-UHFFFAOYSA-N 439.472 0.226 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 734293332 QWTLIMZTIXXTTM-UHFFFAOYSA-N 439.471 0.599 30 20 ICED Cn1cc(/C=C2/CC(C)(C)C/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 736433666 INOWEJIYJGVBJY-PVRNWPCDSA-N 426.473 0.338 30 20 ICED CS(=O)(=O)CCOCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 743636362 FSLHNNHMONQNCS-UHFFFAOYSA-N 437.478 0.699 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C(=O)OC)n(C)c2)c1 745979195 UDIQLUUAPXMLMV-UHFFFAOYSA-N 445.497 0.847 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1CCOC 748042539 MCDMBLMMJLKTKA-UKRRQHHQSA-N 431.514 0.538 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc[nH]n1 770831125 GYDJYWOBPIKPGQ-AWEZNQCLSA-N 430.465 0.630 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 780315197 OUEOIBXESBUEFX-QHCPKHFHSA-N 437.588 0.573 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 784866031 HZSOHSAQOAJBGE-UHFFFAOYSA-N 447.513 0.528 30 20 ICED C=C(C)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802601565 YERPWZJEHZZZOT-MRXNPFEDSA-N 443.595 0.761 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)C1 807109371 HDXHTWUTAQYQJL-YGGLWSGOSA-N 434.497 0.908 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CC(C)C)CC1 917765293 ASVSOFOHPLYELO-UHFFFAOYSA-N 445.614 0.998 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1507779272 MJQIPKAAUVDZOJ-SNVBAGLBSA-N 426.362 0.366 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ncccc1F 1510196508 XGULNOGUBANSLR-PXAZEXFGSA-N 441.464 0.943 30 20 ICED N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1521138144 ZGTOZEBPRISGRE-YLJYHZDGSA-N 431.518 0.342 30 20 ICED CC[C@@H]1CCCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1546645484 RDHNUACFKGAIOA-ZACQAIPSSA-N 439.586 0.882 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1625326925 JFWKXMHNRITUKY-GOSISDBHSA-N 438.463 0.344 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(CC#N)C1 1643613064 WZNYLIVPTBUFKP-MAUKXSAKSA-N 427.910 0.750 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1692766740 SWGVAFMKEXOPGQ-OAHLLOKOSA-N 448.549 0.938 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCN(C)C1 1696330375 PWZBEHLQPVKFKE-NRFANRHFSA-N 426.525 0.474 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749104573 XHVGTSOJVSJDJS-NWDGAFQWSA-N 446.327 0.730 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccn(C)n1 1750965216 HMKUNRODVFEIPK-UHFFFAOYSA-N 434.508 0.791 30 20 ICED CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1765589617 PECLQYVDQIOEOQ-UHFFFAOYSA-N 447.565 0.964 30 20 ICED CNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1767642077 JBZVUMYELIUTKH-DLBZAZTESA-N 444.517 0.317 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)ccc1F 1777830522 DGHXZRYFLUIQLE-QFIPXVFZSA-N 449.446 0.821 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1779136333 KMBNODBSCQALDC-UKKLRFBMSA-N 429.477 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2C[C@@H]3C[C@H]3C2)C1 1779245930 TYLXBOASDUVRMX-OOONZPDTSA-N 444.576 0.699 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912849 IDBXISRVGFDISZ-SBUREZEXSA-N 438.532 0.730 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2-n2nccn2)C1 1781042266 YRYAEYBRGFOXQH-XMSQKQJNSA-N 437.456 0.483 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567654 NWQWBUGALGKGTR-QVKFZJNVSA-N 431.468 0.885 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1783557877 MJAOLZFRNVIKOL-JOCHJYFZSA-N 430.457 0.554 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC5CC5)[C@H]4C3)cc2C1 1784386958 NAPVWHWIVXHJOH-CUWPLCDZSA-N 425.533 0.725 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21 1784477674 IZPNTHUBRMVLCN-XJEPWFOTSA-N 445.560 0.796 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1785571124 AKIJHJBVOJUGGE-IUKKYPGJSA-N 448.564 0.827 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)c(O)n1 1785776587 ONVKNGIIPYKSBN-JQFCIGGWSA-N 431.493 0.167 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1786859038 DECYYLOKLQGDLJ-IEZWGBDMSA-N 428.537 0.704 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788603789 UFVNZHJNIFLGPH-MQXWVYJVSA-N 440.566 0.015 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C[C@@H]21 1790793492 KXJIJJBQXMOVGQ-IHPCNDPISA-N 425.485 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cc(C)on1)C2 1792566085 PFCSUKJIJDGHPG-OXOVRFNWSA-N 429.477 0.209 30 20 ICED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793254081 PFILLUZVXWPDOD-NCEYCINPSA-N 438.525 0.411 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713014 DQKVDRRAXAEMBP-ZDUSMZPESA-N 427.505 0.594 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c1 1794090541 ZSUBCMNLKUHPAU-BJWYYQGGSA-N 448.520 0.680 30 20 ICED 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[nH]1 1795695834 ZGQHJWRAZXURGZ-LOUJCGABSA-N 447.492 0.235 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(F)(F)F)cn1 1796067873 SJFPDZBDKRBEGF-NFFDBFGFSA-N 426.395 0.737 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797698024 FMXRZIUBNKOVPB-REGYPHIPSA-N 443.504 0.234 30 20 ICED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C(F)(F)F 1797808542 JCCVQBYCHKFVRK-LPCIQWJWSA-N 437.415 0.418 30 20 ICED 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438.506 0.199 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1831493782 UPXLLJHUZLAIJP-MVVOQFOESA-N 425.595 0.737 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CC2)CC1 1833468416 RVRHXLPCHJILLI-YRPNKDGESA-N 430.593 0.937 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834953003 YOCINSBSVHJHNP-GVFUYMABSA-N 444.532 0.994 30 20 ICED N#Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)cc(C(F)(F)F)c1 1835553211 PNAXNLVORHPDEG-GOSISDBHSA-N 426.395 0.606 30 20 ICED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836167519 BMNICILJNGJYGR-UHFFFAOYSA-N 429.525 0.343 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)CCO3)c1 1836657258 WICBOWOKHKQCNU-NZQKXSOJSA-N 436.468 0.960 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1836856866 AHZAACSMFASDNT-SFHVURJKSA-N 429.517 0.885 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837202439 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CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)c1ccc(O)cc1 1842875091 AEARUTNXZTVIMS-QGZVFWFLSA-N 449.444 0.817 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc(C(F)(F)F)c1 1845513240 OOMXRQIVMPDZCR-HNNXBMFYSA-N 437.422 0.987 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccccc1=O)C2 1847069751 SLYJSPNNKRFODV-QGZVFWFLSA-N 442.516 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(C)(=O)=O)c(F)c1 1847261590 JETJHJNYJYBKAJ-YHLLGKTKSA-N 449.504 0.903 30 20 ICED N#Cc1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 61915178 CDNJVDFPNXTUCU-UHFFFAOYSA-N 428.518 0.904 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 410117883 JTGAAQQVZJYHGX-MSOLQXFVSA-N 425.489 0.782 30 20 ICED COc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N[C@H]1CCOC1 433839458 ROCKPKQQASEUMW-AWEZNQCLSA-N 434.478 1.517 30 20 ICED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442005093 UHNLRAGAPXCALF-INIZCTEOSA-N 447.451 0.767 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 442017434 JLJXVZWSMSFNBC-UHFFFAOYSA-N 430.490 1.409 30 20 ICED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 447283035 OAXNFUSMCNJQAK-HRAATJIYSA-N 426.477 0.819 30 20 ICED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471044537 NHQWHNFAMDKJNE-MRXNPFEDSA-N 427.505 0.733 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)n1 474263576 DMFXIDUGNQZCNL-GOSISDBHSA-N 438.488 0.923 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccon1 480948408 GKEJWTUYZCIXIH-UHFFFAOYSA-N 438.509 0.910 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(Cc2ccon2)c1=O 505666377 XCSPGOOPINRTIZ-CYBMUJFWSA-N 425.470 0.097 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 508256940 ZJNVQYVBPHHRKR-UHFFFAOYSA-N 427.486 0.872 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]12C(=O)Nc1ccccc12 513660205 KMWHUHJCSUOCHC-WAIKUNEKSA-N 433.468 0.909 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1 536598164 PMDJYHLQOMYPAW-JXFKEZNVSA-N 437.518 0.886 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 539688069 OGUKRTZCFYXFMX-UHFFFAOYSA-N 434.518 0.169 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 550592254 RZIJMXQATLZYQR-UHFFFAOYSA-N 436.497 0.588 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCN1Cc1ccccc1 550888182 QBMFLPKNMAYHFE-NRFANRHFSA-N 448.527 0.771 30 20 ICED CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 551395824 UFACZHBDPXPPOO-GDBMZVCRSA-N 433.465 1.294 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 567183079 HSWHCSCPRXYACL-OAQYLSRUSA-N 444.532 0.718 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 568404788 MCXVCCFETHAHNS-IAGOWNOFSA-N 427.505 0.127 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 572209574 CBNKRJIDJGEBGE-CYBMUJFWSA-N 436.515 0.622 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 580672855 SCBOTSWUYVEZHZ-FQEVSTJZSA-N 441.532 0.345 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 582024607 GCQOLVIWIVEEOJ-VPKVUBIPSA-N 426.473 0.576 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 588931938 NUGREUDGALWZCB-QGZVFWFLSA-N 442.563 0.250 30 20 ICED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 590709597 ZSKHMXUCCDPTHF-UHFFFAOYSA-N 448.277 0.587 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897493 XGWSLAMPKVNULK-UHFFFAOYSA-N 443.481 0.099 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2C)c1=O 603794949 HDGRCFCZHSTXPJ-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 608883820 JENKHXGBVKRREV-UHFFFAOYSA-N 438.513 0.455 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 608911910 MZVPXHYEARZWRH-UHFFFAOYSA-N 447.520 0.505 30 20 ICED N#CCc1ccnc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 611655683 BYRMIXQPPYEYCD-HIFRSBDPSA-N 431.430 0.818 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)NCCNc3ccc(C#N)cn3)cnc21 727102219 JYFWZRWUDCPESS-UHFFFAOYSA-N 431.254 0.387 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)CC1 734814751 XKBBOFKLIITUNT-UHFFFAOYSA-N 437.493 0.086 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 740516412 DFWUZHOSQGJWKR-UHFFFAOYSA-N 438.575 0.434 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccnn3CC3CC3)CC2)cc1 746364487 FONPJZOGLLYYKM-UHFFFAOYSA-N 442.501 0.636 30 20 ICED O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 748114519 SMBGKDACOJQINY-UHFFFAOYSA-N 447.538 0.865 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 755542849 BEWSXFJMCLXYGH-HOCLYGCPSA-N 444.492 0.732 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(CC)cc3)s2)CC1 761030643 ZFFGTSBZNKNZDX-UHFFFAOYSA-N 448.574 0.938 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 763454897 SBQRLGBQGTVLLQ-UHFFFAOYSA-N 448.504 0.814 30 20 ICED COCCN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 769148102 ZJGIKUOCSTYJSP-INIZCTEOSA-N 436.534 0.457 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1Br 771896539 BXEURNRJGUSHLK-UHFFFAOYSA-N 433.259 0.688 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1F 775821050 WDUIOBAJPBNHJS-RDTXWAMCSA-N 446.522 0.756 30 20 ICED C#CCCN1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 776594435 GIKWPJFJBCAHQT-HXUWFJFHSA-N 432.590 0.857 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 777385870 VLJXKSSSQKJNNC-JOCHJYFZSA-N 430.480 0.631 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)o1 778900358 UWUPINMRQYRRGU-UHFFFAOYSA-N 443.372 0.997 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C)c1=O 782637356 RTRAPUGNDGQGGE-UHFFFAOYSA-N 436.335 0.505 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)nc12 783216578 LSIKUPDIEZZQOK-UHFFFAOYSA-N 448.486 0.729 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 783351190 WBHZXNVLULGHIW-UHFFFAOYSA-N 431.396 0.942 30 20 ICED Cc1nn(C)c(N2CCN(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)CC2)c1C#N 788044871 PJDSEECEWIUSKD-UHFFFAOYSA-N 441.517 0.775 30 20 ICED CC(=O)N[C@](C)(C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 797515325 PGNHFAJXRKCYFQ-PMACEKPBSA-N 435.502 0.793 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1cc[nH]n1 799022572 JRQWBYINYOXQRD-UHFFFAOYSA-N 433.387 0.611 30 20 ICED N#CCNC(=O)CNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 804821359 MXBORECKXOSGMM-HNNXBMFYSA-N 442.501 0.479 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cn1C 813746679 SZEJZNSQTMXBPR-UHFFFAOYSA-N 431.474 0.548 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 916874579 CVICTEFPEFYMMZ-DAYGRLMNSA-N 437.518 0.960 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1302210717 PUDXDQZZEMCWQV-ACJLOTCBSA-N 426.518 0.927 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC(=O)N1C 1494236702 SIGIJICSECSZEO-CQSZACIVSA-N 433.476 0.637 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCn1cncn1 1509689075 LCNADAMRGLCTFX-UHFFFAOYSA-N 448.535 0.902 30 20 ICED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 1611601562 URCGKVKBPRYPBM-MRXNPFEDSA-N 425.493 0.386 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1711425366 OZHQIFMFLKKABA-UHFFFAOYSA-N 442.505 0.704 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777779569 WFEDIHKCEWINGY-IIBYNOLFSA-N 426.477 0.223 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1779020527 RCEWVCCHHGEJJR-XWRADEMYSA-N 431.541 0.948 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779252278 BQMQFSWQYNHDON-IEYJAJKGSA-N 438.525 0.650 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779429579 WEFRMLXWNSFXIM-YCOPDDRQSA-N 438.525 0.556 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C(=O)NCC(C)C)CCO3)C2)c1 1780173707 BHJBFFASJFJPSZ-QFIPXVFZSA-N 428.489 0.783 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)c(Cl)c1 1781971541 XHUAQRXNPVVXGG-TZIWHRDSSA-N 448.907 0.306 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OCCCO)cc1)C2 1782013564 WCFUZUFDDCYYBB-AUSIDOKSSA-N 444.484 0.663 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)CC#N)CCO3)C1)C2 1782852114 TYUQDWXMJULTRN-QVKFZJNVSA-N 429.477 0.366 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783106120 ABJPVNMFPFZXNA-GCKMJXCFSA-N 425.526 0.914 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1785574836 UEGSRHZGXIRXIA-HTAPYJJXSA-N 436.553 0.685 30 20 ICED Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1785988396 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30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1795600035 PZZFNTHDWPENLD-JLVBRIDZSA-N 427.505 0.271 30 20 ICED NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780994 SYRDDLYNLRYENF-HGKCTWBKSA-N 440.500 0.082 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694722 GEOJCQWKVUDCJC-OREBXVKISA-N 426.473 0.845 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799686447 SUGAZLHQICMJIX-SFVXARGXSA-N 445.516 0.919 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1800127840 BARWKJHQQZHSBR-FZKCQIBNSA-N 436.557 0.967 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801007039 QPSRETVBVCZTEE-KFVVBQDRSA-N 447.463 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NC(C)=O)[C@@H]1c1cccnc1 1802475044 AWSIGXAOOPACLO-GJCIYHRCSA-N 441.532 0.861 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1802920434 ZGUUEDDMICTIOD-DOMZBBRYSA-N 449.389 0.997 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1803549335 XDOWUVGTJDLYSI-XWPNQZOQSA-N 430.505 0.277 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806287492 OMILZNOTTWCSFT-KNQAVFIVSA-N 448.520 0.697 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810880026 KFXGAUGAEHCSCD-PLNGDYQASA-N 429.477 0.591 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883164 VLUBNBGGCKLXFX-DKZVUGQWSA-N 448.479 0.994 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813132976 BIDWXRQSSKVWGX-YVWKXTFCSA-N 440.548 0.895 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCN2C(=O)OCc1ccccc1 1828946058 ACYKTTQEBURDGZ-OAQYLSRUSA-N 443.529 0.698 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1830461703 XLXREJMRONWZCC-QFIPXVFZSA-N 439.472 0.690 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830575412 CRFPTMXCUACCRZ-YABDQXBESA-N 427.501 0.718 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)(C)C 1831095792 MNTCTVXLHDEYIX-PGRDOPGGSA-N 445.520 0.507 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831221223 INEWTNFJQKNCFC-QPPBQGQZSA-N 436.512 0.622 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1831401497 AWYYMTJEBMKQKN-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831412935 IRXFVMFZGLGLOZ-QFIPXVFZSA-N 437.537 0.438 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831427721 YTVPAQWGUQRDQC-VGSWGCGISA-N 443.504 0.699 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183912 KKOIOYZPQXJICC-KRWDZBQOSA-N 438.422 0.625 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1832453347 VWBOPRZEVFMAQO-HXUWFJFHSA-N 438.550 0.519 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832469001 VIFZCDALTOAMQD-NZQKXSOJSA-N 426.517 0.803 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1)C(=O)O 1833490044 CQAAYSASKKFUPL-WMZOPIPTSA-N 428.599 0.575 30 20 ICED Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1834283648 NMEWFJWIDUUKDX-PIVQEWKSSA-N 446.504 0.989 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1834376810 FIQDOIXLVAPKLW-REWVYZQPSA-N 446.504 0.989 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435031 DGPSYVZFKUAVGH-AGJWPYNWSA-N 438.506 0.742 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1834527924 CGJPMEYAFGSTAK-JOCHJYFZSA-N 437.456 0.741 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834769038 WSRBGLIDFJDEGF-WQTXXOFMSA-N 448.520 0.756 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1)c1ccc(O)cc1 1834977947 CEGRQPBOCBTYIQ-XXBNENTESA-N 430.501 0.992 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835167388 QRGCRYCOGPYALX-UZUQRXQVSA-N 444.484 0.453 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835628733 WLJQPVBJPTXAAE-NRFANRHFSA-N 443.435 0.960 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681397 VGOHLJRYHMWBAB-XMSQKQJNSA-N 446.552 0.491 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1835989789 JMTVTQMIUUTYCX-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836076267 CPZWANFIYXFEEX-HXUWFJFHSA-N 438.550 0.828 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836208959 APMVJJORHZCTQI-NRFANRHFSA-N 447.612 0.786 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836868129 HYUSZZMOPRCYKW-JTSKRJEESA-N 439.553 0.227 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1837394557 CPGARSMUQWWRDO-IIBYNOLFSA-N 436.509 0.072 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447960 ZCZIEMXHHMYKTN-BILBAKPPSA-N 442.582 0.029 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837663354 XUCULTRLHQXQTF-NRFANRHFSA-N 434.493 0.950 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837950743 XPRWWNIWJFYJLY-QATSOJGNSA-N 444.488 0.019 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)c1 1838313951 OLSVZFRULNAFAM-NRFANRHFSA-N 425.445 0.644 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905642 QLISWYDIHJHOIN-HRAATJIYSA-N 449.529 0.309 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952142 DKDLXOGEUAWEOG-REWPJTCUSA-N 442.516 0.933 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)ccc1F 1839187292 URCNVALWEYLHHD-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187873 CLBWFZHGFZLUCC-JOCHJYFZSA-N 446.479 0.222 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839229019 XGSMYNCEAZXZMF-KDOFPFPSSA-N 440.526 0.154 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412948 UZNYQHGTTZUWIR-BTYIYWSLSA-N 449.460 0.962 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cncn1 1839422165 GSIBSXCHMMCDGU-VFNWGFHPSA-N 442.451 0.620 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1839424799 CWSXVIATJDJAQF-QVKFZJNVSA-N 446.891 0.418 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452054 DQSCWDOSHIXHAT-UZUQRXQVSA-N 442.516 0.804 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1839894868 VXQFJRRTSKSHQP-BBRMVZONSA-N 440.440 0.139 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCCCC3(F)F)C2)C1 1840042660 HKOHPRCVXHMAPI-QZTJIDSGSA-N 432.395 0.448 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816441 SNHGRVMUPYYXLJ-YZZKKUAISA-N 445.516 0.892 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1841598396 HKTVPCANQYBFTK-QGZVFWFLSA-N 449.548 0.990 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)cc(C(F)(F)F)c1 1842946843 HDMYRMFFBNASPS-OAHLLOKOSA-N 437.422 0.987 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C[C@H]2C1 1846196924 CXEYNBHOJGIBAX-OYHNWAKOSA-N 431.489 0.925 30 20 ICED C=CCNC(=O)NC(=O)CSc1nnc2ccc(S(=O)(=O)N(CC)CC)cn12 11180572 GYVZUFDYMRHAAY-UHFFFAOYSA-N 426.524 0.864 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 437005557 SXWYSILNNCLHFG-AWEZNQCLSA-N 434.522 0.742 30 20 ICED CCCc1c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cnn1-c1cccc(C#N)c1 443697007 ZJYATOSDFLNUMA-QGZVFWFLSA-N 438.488 0.734 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 460579146 ZKIPCYCKNRNHGE-UHFFFAOYSA-N 434.416 1.522 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1 460613630 RKEGWUVGMONCFC-UHFFFAOYSA-N 431.338 0.730 30 20 ICED C[C@H](NC(=O)CNC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(F)cc1 464855056 IMENFJSBAWAZCZ-HOTGVXAUSA-N 439.495 0.991 30 20 ICED COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1 464861140 BJJLBETZXALTOS-INIZCTEOSA-N 437.504 0.964 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 475194676 YUJALMSBRDJCRW-IYBDPMFKSA-N 438.488 0.988 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 482508998 LHIUXZWJKVRNSK-BUXKBTBVSA-N 433.490 0.062 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487521858 WODQQYMNHFKWKQ-MSOLQXFVSA-N 433.534 0.771 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)nc1 488974491 GVPSLSOPYNRLQY-IRXDYDNUSA-N 437.522 0.604 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)c1 500074501 JHLATVBSSUEOAZ-UHFFFAOYSA-N 426.520 0.184 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1C 504107460 ABPYRNOACFITFZ-UHFFFAOYSA-N 427.440 0.236 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 511995120 PJZLPDIXCPSADZ-UHFFFAOYSA-N 429.483 0.963 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)CN1CCOCC1 514307155 MBZXNJUASVWWKB-SFTDATJTSA-N 433.528 0.159 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 522031188 XJPVYFLIQXXUMP-HXUWFJFHSA-N 446.511 0.828 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215714 GMVYDVLMFLIHFI-SFHVURJKSA-N 427.505 0.325 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541146985 ONVDXICDSJYGMC-HNNXBMFYSA-N 430.852 0.699 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 548290362 VRBDTEUCKKJYPK-ZDUSSCGKSA-N 439.518 0.718 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 550407887 YVXYDMMYYQBGNP-IBGZPJMESA-N 440.525 0.943 30 20 ICED C[C@H]1[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@]1=O 562899402 IARDUNHFILNPGQ-YZCUQEPOSA-N 438.575 0.232 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 564373203 UEBLLUSMMGVFBE-AWEZNQCLSA-N 435.558 0.257 30 20 ICED CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1Cc1ccccc1 565132943 NXWZYHSXRVEPSK-OAQYLSRUSA-N 443.511 1.522 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 572438539 UPUBOQOCQVEQDT-LBPRGKRZSA-N 428.492 0.949 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 580384274 NLHXGUUJDZKATP-KRWDZBQOSA-N 442.497 0.633 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 580742837 LYAZMRNRORGYRT-OAHLLOKOSA-N 432.554 0.549 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)CC2)c1 583344260 FDAFYJSGGXRBSW-VQTJNVASSA-N 440.548 0.486 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828962 UNZPPBMXDGTCFJ-UHFFFAOYSA-N 437.506 0.236 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C(C1CC1)C1CC1 609703906 MKRUNNHNTRKLCR-UHFFFAOYSA-N 441.557 0.660 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)s2)c1=O 610503677 METBLQWJNGXVGU-UHFFFAOYSA-N 441.538 0.057 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 615379882 ZZDZUCCGVTZCCF-AWEZNQCLSA-N 434.522 0.252 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C 684535776 UJXMWVVUZBRLQR-UHFFFAOYSA-N 426.498 0.971 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccn2)c1=O 729674111 BRCHSYJGUMUNPO-UHFFFAOYSA-N 439.518 0.735 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NCCNc2ccc(C#N)cn2)c1 730023170 MURJCRIMLKLCGQ-CYBMUJFWSA-N 445.505 0.600 30 20 ICED N#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C(N)=O)cc1 734575259 WPUCCJXWIBBBPH-SFHVURJKSA-N 442.453 0.062 30 20 ICED C[C@@H](CC(=O)NC[C@H]1CCCN1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 753302382 QNBCPKCVXUPPJF-QWHCGFSZSA-N 428.536 0.044 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@H]2CCCN2S(C)(=O)=O)cn1 753751336 AGMWAVKMXPRDCJ-KGLIPLIRSA-N 442.567 0.395 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)Cn2nnc3ccccc3c2=O)c1 754787233 VAZVLNPZDQDINL-UHFFFAOYSA-N 448.258 0.931 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 758639568 FRCALYGPDVROLT-ZFWWWQNUSA-N 433.494 0.914 30 20 ICED C#CCCCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 759057285 QLHNOTZWVFRYRH-UHFFFAOYSA-N 437.518 0.964 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 765511901 FWZLBIUZWTYAFH-BXUZGUMPSA-N 432.424 0.847 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CCC 770601956 FRYLQTHZBRQMGY-CQSZACIVSA-N 430.552 0.987 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C2CCN(C(C)C)CC2)CC1)c1cc[nH]n1 772432860 DOBMYWUNHFQHBO-UHFFFAOYSA-N 434.541 0.711 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)ccc1F 773649763 HXMWTUCNBRIJBV-GOEBONIOSA-N 430.498 0.776 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 775005340 WQYHGUJEDDXZJW-UHFFFAOYSA-N 444.492 0.809 30 20 ICED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 775418372 WMOVZEBIQXJQBW-CYBMUJFWSA-N 438.506 0.477 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCCO1 775789360 CXUYRMWHEPRMKD-WOJBJXKFSA-N 433.530 0.493 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cn1 780107985 SDAWTSBMXDZISW-QGZVFWFLSA-N 442.501 0.729 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCN2CCNC(=O)C2)C1=O 781103835 BWUQGSOVJJUWOW-HNNXBMFYSA-N 448.936 0.711 30 20 ICED CC[C@@H](C#N)Oc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 804459646 XLCPSZNCFPMGAZ-HXLNDQMISA-N 440.460 0.731 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806780499 BSUKWZZPYNCUDO-YWMAMYRUSA-N 433.490 0.275 30 20 ICED NS(=O)(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)nc1 807962979 SOVQGMQLRKLVNE-UHFFFAOYSA-N 434.297 0.585 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[C@H]1CCCO1 809313054 QHWSPXLJKYGXCT-AZUAARDMSA-N 426.517 0.629 30 20 ICED CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)Nc3cnn(CC#N)c3)ccc21 815552024 OBYQSFNMCSIZIT-UHFFFAOYSA-N 446.370 0.985 30 20 ICED Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)CC4(CC#N)CC4)CC3)C2=O)n(C)n1 1189115752 FGPHBPKTFPSABI-KRWDZBQOSA-N 434.566 0.865 30 20 ICED CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCOC1 1314081726 KJLBPVCDZVOICP-FQEVSTJZSA-N 448.549 0.987 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@]2(O)CCOC2)cc1 1521102163 QIAGEWNGCIBCEK-VGSWGCGISA-N 440.504 0.972 30 20 ICED N#Cc1cn(CCC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)nc1O 1584353430 XTXJRHYEXSCEHU-UHFFFAOYSA-N 444.879 0.329 30 20 ICED CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1629133157 XXKVCGFWJLBOGQ-CYBMUJFWSA-N 425.511 0.119 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696057743 PZDAIAOESHLXBK-RTBURBONSA-N 432.460 0.525 30 20 ICED CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1731044693 YXJOAVOAUWRCND-DVOMOZLQSA-N 432.547 0.804 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751003814 ZIAVRHCGQIAMIJ-KRWDZBQOSA-N 447.569 0.183 30 20 ICED CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1764418012 WOQZWXPBKLYQMU-HZPDHXFCSA-N 438.554 0.920 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465797 FVOVYPDFPYEFLW-VSIOZEBNSA-N 425.493 0.645 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778788134 UTLADDXHLMWSGM-GHTZIAJQSA-N 448.451 0.134 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1778890678 YNHYWBKAEKOJER-VGSWGCGISA-N 430.505 0.856 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360755 OAOZRGGTBGTMIS-FJVGUQRGSA-N 435.569 0.887 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](N)c3ccccn3)CCO4)c2c1 1782195826 KURWYZUUIJKRCU-AUSIDOKSSA-N 445.483 0.973 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)c2c1 1782196311 ZOOXDACIXIOLPZ-JOCHJYFZSA-N 448.439 0.998 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3OC)C[C@@H]21 1783530422 ZNYQIPJAWYOEJR-DOCOLBGOSA-N 428.489 0.542 30 20 ICED COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1784291327 YQJPUBARDJIFGY-QRTARXTBSA-N 427.461 0.647 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)N(CC)CC)[C@H]2C1 1784624693 UKVRLAUKIUDHJU-VKKXURQZSA-N 434.581 0.945 30 20 ICED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784643101 APNMPTGUPTVCPA-UPHAJYCBSA-N 435.569 0.600 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccnc4C(N)=O)[C@H]3C2)c1 1785519300 MVOUWDULMJAROY-WDSOQIARSA-N 433.468 0.959 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C[C@H]2C[C@H]21 1785593414 IUVQMFOWHASWBC-LUDNOHBGSA-N 447.488 0.302 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785882681 VXAAPTKTBAHSSI-FCLICNRPSA-N 431.493 0.192 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1786001279 ZIBUMQCGIUOPLD-CUSZFKRNSA-N 445.520 0.920 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509354 OBSVQLIKVZEISM-FCLVOEFKSA-N 427.505 0.859 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)[S@](=O)c1ccccc1 1791077567 JFWSKIWWJCGIRA-RESQJCOASA-N 432.498 0.250 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424040 BYUGGQBHJHSECW-HNJRGHQBSA-N 444.488 0.145 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)c(O)n1 1794492034 SFMUXHQVONJVTE-FVCICTRLSA-N 427.461 0.852 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795410101 LLJZTCJEPWUZNQ-YVSFHVDLSA-N 448.520 0.516 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1Cc2ccccc2CN1 1796371817 AYEGOEGKDJWXLE-WABOFMEASA-N 439.560 0.762 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797908772 HDWAADXYGVXRIC-BMFAXAFESA-N 447.536 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C(/C)C(=O)O)[C@H]1c1cccnc1 1802497793 KFKMJUJBDAHSAU-DIWLPVGLSA-N 426.473 0.977 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccnc1 1802687815 WAIRKNUPXNEJBN-DJIMGWMZSA-N 435.550 0.965 30 20 ICED N=C(N)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810326649 GSDIBHLRRVMYEB-FXAWDEMLSA-N 426.521 0.269 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812524110 DAEICFVFYBZNDV-SCTDSRPQSA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814585446 DGEUNXFZASIQGW-WSROAFLRSA-N 431.518 0.536 30 20 ICED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815854737 WEBYDJNIGKUIPU-JGVFFNPUSA-N 441.560 0.839 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1819907231 NIYOCJFATSSAKT-LEMJRAINSA-N 426.495 0.593 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617474 NGQAVKGSNBWOBY-DZKIICNBSA-N 441.513 0.729 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)N1 1825075394 XORAITLPHYNFLT-SGASUCAWSA-N 443.504 0.916 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826319625 KTMQUXGSHJSGFS-LBPRGKRZSA-N 446.485 0.490 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829955820 CGYKALWMEADFCE-AVRDEDQJSA-N 426.473 0.154 30 20 ICED COc1cncc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831209012 GPOLZMKEBOSXTN-HSZRJFAPSA-N 427.501 0.893 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832043850 DPXXRWTXFHDPFS-JPYJTQIMSA-N 447.532 0.866 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n(C)n1 1833447225 DVEWSPZWNVNKRG-MGPUTAFESA-N 437.497 0.300 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513500 XPUBAMPKKOQHAT-KRWDZBQOSA-N 436.509 0.176 30 20 ICED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833664125 IWTWXPQPPPZDOH-QFIPXVFZSA-N 438.488 0.731 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834326993 LMMUITXQSYFNTR-QFIPXVFZSA-N 430.505 0.189 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834714673 IDNMNHJMTIAUAH-SFHVURJKSA-N 432.569 0.118 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835652076 DQQVSVIHQSACBH-FQEVSTJZSA-N 449.508 0.784 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835827586 XXYNDTXGKORMSH-HFSMHLIXSA-N 436.578 0.882 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)ccc1F 1836350545 DPIJFNOTQKIYJA-HXUWFJFHSA-N 428.424 0.128 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c1 1836397186 LIIWLKFBSGMZTL-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2Cc4ccccc4O2)CCO3)c1 1836657260 WICBOWOKHKQCNU-REWPJTCUSA-N 436.468 0.960 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524833 OSKOBFXSHHWTCF-JAQBMENVSA-N 436.465 0.582 30 20 ICED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)COC1 1837527229 ZAFQETJNUGLIIM-IDESXIGUSA-N 425.482 0.008 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2)C(F)(F)F 1838534891 IZEUNCAUVCPKBP-GOSISDBHSA-N 429.395 0.574 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953092 OLLZGUJEPDCEMN-YADHBBJMSA-N 445.472 0.244 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839174268 QHRJMNKVLSKRJN-NRFANRHFSA-N 434.493 0.308 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839175400 GZMBEYUPUWINOW-PGRDOPGGSA-N 437.537 0.294 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4Cl)CCO3)C2)C1 1839424820 DNFZIWHTJMAFIT-NRFANRHFSA-N 432.908 0.843 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487705 SLPKMPBYIZVLSR-QFIPXVFZSA-N 449.471 0.552 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649364 LWQKYTZKDNZPGC-QUCCMNQESA-N 438.550 0.526 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839886481 CXSGMGMSDYVVGM-LJQANCHMSA-N 431.480 0.817 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)c1ccc(O)cc1 1840028597 DFILIJLYFYMYDH-BOCKYXSRSA-N 430.501 0.726 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840161096 DJRZCJNFOBJDTQ-ODXCJYRJSA-N 433.486 0.210 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818589 KPRGTBLTTVPXRA-MBSDFSHPSA-N 441.484 0.432 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2)C(=O)O 1840820857 NBIIJZJJDNNLMP-NXXUMWEISA-N 443.456 0.424 30 20 ICED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccccc1 1844335646 UCEZBFZUIRCLPZ-KRWDZBQOSA-N 445.483 0.827 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CNC(=O)C(F)(F)F)C2)c(C#N)c1 1846399954 FVOIZYMSRFEQPK-UHFFFAOYSA-N 438.406 0.991 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847041143 KHJRVAFQGINLBE-CQSZACIVSA-N 434.493 0.950 30 20 ICED CS(=O)(=O)NCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 31218683 XVTIQTBBJYSQHC-UHFFFAOYSA-N 428.536 0.014 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434825092 AMLZTKMQBPIIOT-UKRRQHHQSA-N 441.506 0.002 30 20 ICED C=CCOC[C@@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OC 435932489 CNYGNCPICSZHSK-CQSZACIVSA-N 429.495 0.743 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCOC1 441928721 ZWLHIGJPTGWELS-MRXNPFEDSA-N 427.526 0.984 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443016398 WFEZTCQNFZTMMQ-UHFFFAOYSA-N 428.423 0.862 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 447772541 KPMYXGBPUAHTGB-OAHLLOKOSA-N 432.543 0.867 30 20 ICED COc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1[C@@]1(C)NC(=O)NC1=O 462406437 ILOWBYKTROUYSO-HXUWFJFHSA-N 444.469 0.979 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)c1C#N 472200236 HMPGIOUWSSTDDT-UHFFFAOYSA-N 429.462 0.466 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCCO3)c2=O)n1 479365801 OGFASLQJWSXKHU-MRXNPFEDSA-N 442.541 0.910 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 481117325 SDENPTYEPYIWHF-CYBMUJFWSA-N 428.536 0.107 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488665520 MIIPKRVFLYSKOQ-SFHVURJKSA-N 437.456 0.834 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2OC)CC1 491086537 UNAJSWPMSBLRCR-UHFFFAOYSA-N 431.518 0.998 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 491108423 RGWLZZAEJSOXCZ-UHFFFAOYSA-N 439.472 0.917 30 20 ICED CS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1C(F)(F)F 499491885 KTYVDRMOZLUFFR-LLVKDONJSA-N 427.426 0.668 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)C1=O 500447089 KBEOIQXHZCPAGX-MRXNPFEDSA-N 428.489 0.979 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2c(C)cnn2C)c1=O 505655875 CUJGOOYINIOWRJ-AWEZNQCLSA-N 447.586 0.113 30 20 ICED N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 506548636 LJKAYURXHOIDLE-UHFFFAOYSA-N 428.468 0.933 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507525189 CHUNFYQPYHBWRX-UHFFFAOYSA-N 447.517 0.508 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 508120177 OVPVCSZWXMUKCO-SFHVURJKSA-N 440.481 0.743 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508873068 LNPXAZMPMILVIM-UHFFFAOYSA-N 438.492 0.382 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 508965036 VWESMPMWIFDUSN-INIZCTEOSA-N 445.549 0.807 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1 510665491 JLYRNKIBCZEGJT-INIZCTEOSA-N 448.545 0.903 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccon2)c1=O 512720267 JROWSKBMTDTUOA-UHFFFAOYSA-N 438.513 0.724 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)CCO)cc3)CC2)c1C#N 516122585 ZVOCABMAIDYSFB-UHFFFAOYSA-N 449.558 0.898 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 516208503 DDNBLRFDDNHUHA-UHFFFAOYSA-N 427.548 0.951 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 519907914 QCRSUTYJTWMFOL-IRXDYDNUSA-N 435.550 0.146 30 20 ICED C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 521584114 BVLSSAZYUFYNSS-UHFFFAOYSA-N 429.564 0.636 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 524095606 OYDSXXKAUCRSAI-UHFFFAOYSA-N 437.522 0.863 30 20 ICED CN(CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 534105292 CULINVQVNRCMKU-UXHICEINSA-N 442.541 0.930 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 540364528 BNLNZOFWLKKJRO-OAGGEKHMSA-N 439.534 0.724 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 544599584 VMWWETWHEDPQAG-KRWDZBQOSA-N 443.547 0.115 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549644788 WDTJKZKBFJRTNU-QGZVFWFLSA-N 437.504 0.870 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 557418890 GAKCWYPWTKCGAR-UHFFFAOYSA-N 427.549 0.820 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)CN1CCN(C)CC1 560015279 LMWWAVWQDRITQN-QGZVFWFLSA-N 446.983 0.860 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 569640413 FBAOMGCYONAKDS-APWZRJJASA-N 432.484 0.912 30 20 ICED CN(C)C[C@](C)(C#N)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 580506066 PZAGRBDTXIUFKP-FQEVSTJZSA-N 449.533 0.729 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 604119074 CTHPTPKPCXONQK-UHFFFAOYSA-N 445.566 0.775 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1C 604270080 DKTCZFUDQMHMKL-UHFFFAOYSA-N 442.541 0.343 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 612268652 VQDPAUMFZNSXKQ-JOCHJYFZSA-N 427.505 0.839 30 20 ICED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727751361 GNBSFRVKBHNNDL-GFCCVEGCSA-N 436.515 0.592 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 728158289 NEBAJVHRZPHPIW-HXPMCKFVSA-N 436.465 0.758 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1 732178943 XQRHLYUOHQRTLT-UHFFFAOYSA-N 435.527 0.924 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC(=O)Nc1ccc2c(c1)OCO2 741344264 YRRZXLHEHHUGPI-ZCXUNETKSA-N 430.373 0.523 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 742068677 VTWIJPVQFDZSIP-SFHVURJKSA-N 436.553 0.686 30 20 ICED C[C@H](CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742674702 ZQQDIACFAZQOLL-CHWSQXEVSA-N 427.548 0.928 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(C)cc1 743727290 INTCLXQFZADYRW-UHFFFAOYSA-N 449.536 0.856 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 758300619 MEEUZKVKQCIULM-GOEBONIOSA-N 437.522 0.935 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)c(O)c2)CC1 760871306 MWDVPZJVLMWAOW-UHFFFAOYSA-N 441.269 0.894 30 20 ICED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3\CCCN3C)cc1)C2 762516841 TWRGRQAZCMPOBL-XQNSMLJCSA-N 445.505 0.380 30 20 ICED COCCCS(=O)(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 769844003 CRLYSSFZLXGYFX-HXUWFJFHSA-N 449.533 0.267 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(CCOC)c2=O)cn1 772278732 NGFGVLUGVVVUEX-UHFFFAOYSA-N 437.529 0.722 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 774228971 ZMCIFKWKZOVRNN-GFCCVEGCSA-N 440.478 0.208 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 774950204 MBMKTENSYWCKKO-NXOAAHMSSA-N 426.514 0.801 30 20 ICED N#Cc1ccc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c(Br)c1 778124418 NIYKDPVMNZLOAW-UHFFFAOYSA-N 441.263 0.769 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787757202 CKIXDINSMDIYSY-GOSISDBHSA-N 431.456 0.270 30 20 ICED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789810042 IYRLZMCPOXUZPT-BANNAZRQSA-N 438.506 0.094 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCn2cc(C(=O)OC)nn2)C1=O 790017048 XQXUMGMSOPLMJJ-GTOLFZDISA-N 445.505 0.139 30 20 ICED C[C@@H]1c2nncn2CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 792355851 WREVZLHJBJCQGX-GWKQSCENSA-N 445.505 0.633 30 20 ICED N#C[C@H](C(=O)c1ccoc1CC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796808502 BAAAXZZEWHXESF-MRXNPFEDSA-N 425.401 0.887 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)c1 802632814 FSFBTGNWBGGNEJ-AFDUHFSSSA-N 426.470 0.371 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(c3nccs3)CC2)n1 803173882 WIZKVVSOJDCBBA-UHFFFAOYSA-N 430.534 0.733 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)CC1 804975401 DIDVFTQYJKINCX-UHFFFAOYSA-N 427.548 0.525 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 805007465 SEEGKRNWFDDAPD-UHFFFAOYSA-N 449.501 0.129 30 20 ICED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808025631 NNUAZOPMKOGTKC-NVXWUHKLSA-N 428.493 0.585 30 20 ICED CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H]1CCN(CC(F)(F)F)C1=O 810396648 CULXFXHFFHINDH-ZDUSSCGKSA-N 435.366 0.699 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)NC)CC1 822320873 FZCOZBJZMZBXIK-MRXNPFEDSA-N 435.550 0.174 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)nc1 918662808 USOPBDKJMJXWLD-QGZVFWFLSA-N 440.891 0.929 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCO2)C1 1302480177 QVDUPQJIEXEWCH-CKEIUWERSA-N 428.490 0.232 30 20 ICED CCc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C 1320087905 YKZFUEZPKRQCLG-UHFFFAOYSA-N 445.501 0.544 30 20 ICED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322379106 UQVFXQSQOGUDHI-NHRMXYMRSA-N 428.367 0.261 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 1344641512 KSSICGXTRIYPBR-CQSZACIVSA-N 446.599 0.469 30 20 ICED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1359643219 SUOHSYOSIBXPRI-UHFFFAOYSA-N 425.493 0.827 30 20 ICED CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503817228 PZSSTNFAMQOSCV-MRXNPFEDSA-N 446.519 0.777 30 20 ICED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508688367 HIZOJEXXNYTNSD-JKSUJKDBSA-N 449.581 0.619 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 1521102160 QIAGEWNGCIBCEK-HTAPYJJXSA-N 440.504 0.972 30 20 ICED C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541865420 OQGVPSWOAIZJCA-HOTGVXAUSA-N 445.549 0.719 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(Br)cc1C#N)C2 1567623540 XQHHPCBKPUAIDY-UHFFFAOYSA-N 433.266 0.423 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1627778112 KXMFXKPLTYLEHL-DOMZBBRYSA-N 428.461 0.987 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1643404167 VRVPBGZREHMVAE-RHSMWYFYSA-N 442.451 0.400 30 20 ICED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1=O 1710257422 KMMSTWPIQDAVRG-UHFFFAOYSA-N 445.549 0.815 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1712479261 VWMRFLKKWMKMHW-INIZCTEOSA-N 447.565 0.523 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751003815 ZIAVRHCGQIAMIJ-QGZVFWFLSA-N 447.569 0.183 30 20 ICED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N(C)C 1751143620 INCNFUYUFCCUPT-JKSUJKDBSA-N 439.586 0.691 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1761236109 WVEUTXRHQBWGQV-SFHVURJKSA-N 444.584 0.704 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1767848178 YMXANFIBEFYYSO-MGPUTAFESA-N 446.533 0.750 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1770738649 MZJIOFGJVXNMPC-MRXNPFEDSA-N 439.476 0.883 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778755 VDHSOKBSLUUOFK-HLQTZPMBSA-N 425.493 0.873 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nnc(-c3ccccc3)o2)C1 1779426031 JBLSPIHRTDRPBM-OPAMFIHVSA-N 438.440 0.952 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062065 XPRFUNXHCNPUQZ-DEOSSOPVSA-N 443.463 0.585 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5ccc(C#N)cc5)C4)C3)CC2)CC1 1780701949 UZDCBWOQQNCELE-HSZRJFAPSA-N 437.544 0.782 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1C#N 1783168270 XKFSNAWVDSMTQQ-JPYJTQIMSA-N 440.500 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1783528435 WOPKHMREGVTKQK-OSSSZGEJSA-N 448.564 0.375 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C1CC1 1783689231 URUJZEQALXPJDS-XIRDDKMYSA-N 449.504 0.454 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1784503742 FLEULHKGZCEMLL-FZCLSBEQSA-N 443.504 0.515 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1785593915 IRTBUGHTIBWOOV-AHWCRGGASA-N 436.553 0.881 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c(Cl)c1 1786891099 SKUMROAVRGICHC-PLYYQAHHSA-N 447.923 0.398 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21)C(=O)O 1786899085 VRGFWPWLYHECTG-FZDIXFNVSA-N 444.488 0.223 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787527248 YMKVERCPFXDQEQ-BVGULIOJSA-N 438.525 0.267 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788677079 RVVMURRCMRAECS-KBDGVSKDSA-N 441.444 0.480 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789798462 XAQCHTRLSWCMMG-WPVAHCMFSA-N 437.585 0.403 30 20 ICED COc1ccc(CNC(=O)CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cc1 1790653372 VWOPDVBUTBHJDQ-IHPCNDPISA-N 442.516 0.985 30 20 ICED 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)C(F)(F)F 1790882504 MBRLWGYOWJHANF-ZLZRZKQWSA-N 448.467 0.887 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1791258407 NMTXCRHVNVLUGG-XZHCTYTHSA-N 449.573 0.464 30 20 ICED C=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)O)C[C@@H]32)N(C(=O)OC(C)(C)C)C1 1791378875 HVWCKVDFMPTDJH-FPSMNIFISA-N 437.537 0.913 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793384226 PPURRZIVUHAGEM-HRYATBACSA-N 446.573 0.884 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn1C 1794876357 VNBUTMCQJHMYJI-YYIAUSFCSA-N 445.520 0.540 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276128 GZNDWCXLLKKROA-UYZIEWPDSA-N 447.495 0.236 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598843 GAMSYDOGAPMXGC-IKVITTDRSA-N 433.490 0.200 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1799394313 FCDFYVHCIJKBGO-MPTYRVRUSA-N 433.509 0.929 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCN(C)CC2)C3)c(C#N)c1 1800032660 RZYDZGDLLMSGMG-WKCHPHFGSA-N 439.560 0.995 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1802578147 PLNPZCCNADVGTI-JTAQYXEDSA-N 448.527 0.795 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804131164 YXGXFTPSLIFGOL-FCGDIQPGSA-N 428.489 0.726 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807043065 IXGGKLXETIZNPY-ZRCGQRJVSA-N 433.512 0.732 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1810252427 IFMQFMBICSXVKK-BQFCYCMXSA-N 446.504 0.204 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CCC1 1814051741 YYYHKNZZMPOGHS-MAUKXSAKSA-N 446.471 0.826 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)NC(=O)OCC)[nH]n1 1814438383 NPMOHNGICLJCBF-BLZHTEAHSA-N 448.480 0.325 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2 1825661203 JRIHJFKVUXEPNM-ZCFIWIBFSA-N 437.327 0.498 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)S)CC2 1826649589 DNRIGKPELFLYBS-DRCTWCGVSA-N 436.563 0.844 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 1829773143 MGZXCRDUWFVWHS-DOTOQJQBSA-N 426.477 0.718 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829856780 UZZVLYSZLYCPAA-WMZHIEFXSA-N 449.548 0.056 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1831209678 SSAPHEMIYIYVFC-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831399134 PSGQMXJMBLCVGR-MBSDFSHPSA-N 425.485 0.861 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831493232 QXGHRGWGLBGYNZ-CTNGQTDRSA-N 447.561 0.683 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1832447209 QGVOIHHDMBQXGH-NQIIRXRSSA-N 441.594 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)c3ccco3)CC2)CC1 1833085456 WKXZPOBUVYWEJB-LXHZQTKUSA-N 444.532 0.743 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834070144 KFNCRWUMIYHZRD-UHFFFAOYSA-N 443.552 0.649 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1834601022 QWGWZEWQIXOMFI-SFHVURJKSA-N 430.597 0.498 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1834633907 NACKDWPJGAPCKQ-UHFFFAOYSA-N 429.496 0.971 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835365717 SEZHJHNFHJQFSB-VGSWGCGISA-N 448.520 0.663 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835448884 ZINSNRIIBUVDQW-QHCPKHFHSA-N 442.516 0.351 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccccc3C)CCO2)C1 1835862320 LDLBUIONSNAHHC-AUSIDOKSSA-N 429.517 0.902 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140132 FNUFVFYGBJCLMK-GOSISDBHSA-N 431.537 0.528 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4c(c3)NC(=O)CS4)CC2)CC1 1836493826 COJBIYKEMRNIHL-UHFFFAOYSA-N 427.530 0.944 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837011215 OWIOXIUOLTUJPS-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073377 FZHWKCILMUWNFN-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837311438 FFAJXSZHYPUFKD-VGSWGCGISA-N 446.504 0.786 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837566690 HDXMZRLCSXKPLF-JBMWNJKUSA-N 443.456 0.880 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566990 YPYDUDFCDMRPQD-JBMWNJKUSA-N 443.504 0.738 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1838908687 NAERKAQHEYZFTH-HXUWFJFHSA-N 442.501 0.539 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839225728 RKQDFKYRBQAUCN-VFNWGFHPSA-N 444.492 0.829 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)cc1 1839361927 OELOZFXQRMBKAD-OAQYLSRUSA-N 425.445 0.565 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420642 VJPPPHVDRLHYKK-LAUBAEHRSA-N 447.467 0.214 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839514191 CEVNWXDRFSQCKJ-RBZFPXEDSA-N 432.502 0.724 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc4nccn24)CCO3)c1 1839552831 XRWFVSZCDOKIKF-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)C2)C1 1839807198 OZZYEBMNVZRUJV-YADARESESA-N 439.512 0.746 30 20 ICED COc1ccc([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040004 LJCUIRRHGDQEEM-ZHRRBRCNSA-N 430.457 0.343 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842213267 FNUQHHFGICGSPF-HNNXBMFYSA-N 444.488 0.819 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920125 BGGJDNAXQGJMHU-HNNXBMFYSA-N 427.509 0.080 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2C)C1 1845239706 KNKTVQUXKXIBGY-HOTGVXAUSA-N 432.521 0.727 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846644311 PYHQWPUIQUELOK-GJZGRUSLSA-N 433.513 0.907 30 20 ICED N#Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(OC(F)F)c1 437867653 BBHFPDVNBTTWGX-MRXNPFEDSA-N 442.488 0.581 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441956263 RWSOZYSOUULKHA-FQEVSTJZSA-N 447.879 1.545 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 473355318 GZVKZJZKACQDOU-FQEVSTJZSA-N 432.480 0.878 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc1 473968105 HNEPENHDFCYNDM-GOSISDBHSA-N 436.534 0.442 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCNS(=O)(=O)c2cccnc2)c1 475803282 CCXCAVCOGNLNRR-SFHVURJKSA-N 427.486 0.539 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)o1 476049660 LPPHNLINMULICH-KRWDZBQOSA-N 430.509 0.120 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C1CCN(C)CC1 480936784 PFJKEODJYNZRNY-UHFFFAOYSA-N 442.541 0.721 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480956830 FCEMATZJQQESQL-UHFFFAOYSA-N 430.511 0.663 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 482427196 WJAFSJRMYGKLBZ-CZUORRHYSA-N 430.490 0.189 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 488278115 IMLGPVVVXQIJIF-OALUTQOASA-N 425.489 0.692 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(-c4cnccn4)n3C)CC2)o1 489410541 VTAWIVYPXKRNJI-UHFFFAOYSA-N 425.478 0.881 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCN1Cc1ccccc1 490512755 GRCOSWDKKRCJJO-IBGZPJMESA-N 435.488 0.337 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC)cc1 503504994 XODFZDJVGHSYNF-ZDUSSCGKSA-N 431.536 0.371 30 20 ICED CN1CCN(c2ncc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2)CC1 506164265 KNYNTUFJYNKYAQ-UHFFFAOYSA-N 441.561 0.607 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2(O)CCOCC2)cc1 506950502 KYGZWPDFQULXET-UHFFFAOYSA-N 425.507 0.479 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 524282698 GMBJDAZUDNRSEN-UHFFFAOYSA-N 447.472 0.818 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 525910206 IGWMTHLGWSFKIN-HNNXBMFYSA-N 437.416 0.889 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCC#N)CCN2CCOCC2)c2ccccc2O1 527085498 LFRBLZHJOFXKMB-SFHVURJKSA-N 430.461 0.028 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCOCC 532165401 IFAILHHOSOJWCZ-UHFFFAOYSA-N 428.514 0.545 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 549286082 WWWQHLKJPNBCDI-CVEARBPZSA-N 440.570 0.682 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 551380522 YFEKXWZNBYDOPR-FQEVSTJZSA-N 427.549 0.214 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 555028277 DYGQWLUBBJEWIB-UHFFFAOYSA-N 434.449 0.565 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1OCC(N)=O 560054879 PHXHRNQXAHVIKE-UHFFFAOYSA-N 438.444 0.113 30 20 ICED CO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 578670964 LZOBKOMPQNPRPA-CZUORRHYSA-N 440.460 0.919 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 578792762 MTFYZCVCVWOHFP-SFHVURJKSA-N 431.512 0.819 30 20 ICED CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582263178 ICHDCIHERJVPKE-IBGZPJMESA-N 438.488 0.013 30 20 ICED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 582332275 DCJYHBAJKCNICP-UHFFFAOYSA-N 442.563 0.545 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccncc3OCC(F)F)CC2)n1 583720079 QEPPQCZPJPZLOU-UHFFFAOYSA-N 430.415 0.957 30 20 ICED CC[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 588123569 BHRHNLOQRPKTED-NHCUHLMSSA-N 427.549 0.886 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CC1 590999228 SCTYMEDTAPNRFD-UHFFFAOYSA-N 427.482 0.297 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608911327 AHVHJXVQASOMMB-UHFFFAOYSA-N 440.525 0.356 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2Cl)c1=O 610859107 HFIMQZOEHDVOQR-UHFFFAOYSA-N 448.907 0.572 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 612272593 VTNKCNQRYBFJSB-IBGZPJMESA-N 434.522 0.254 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 619539326 JCVVVGKQCYVOHB-UHFFFAOYSA-N 433.917 0.954 30 20 ICED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 726287675 QYUJAKVABNDOTN-UHFFFAOYSA-N 431.474 0.543 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cccc(OC)c2)CC1 728536097 JKGKMWSBUTVSCW-UHFFFAOYSA-N 427.530 0.867 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 731976048 JYMQMWACWQKYKE-FQEVSTJZSA-N 426.517 0.778 30 20 ICED COCCN(CCC(=O)OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733222889 TWJRSRVRBMVHAC-UHFFFAOYSA-N 437.518 0.997 30 20 ICED Cc1cc(OCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 747996334 ZZVWYYVYKOJWQA-UHFFFAOYSA-N 448.457 0.310 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCOc1ccc(S(N)(=O)=O)cc1 749275161 UPLMKPYUWJTVNW-UHFFFAOYSA-N 439.471 0.106 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cc(CO)nn1 753011639 FIWWXYIPFSMNOF-INIZCTEOSA-N 434.522 0.430 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cnc1Cl 760385688 WBFCRWQPJKYCFC-UHFFFAOYSA-N 433.921 0.027 30 20 ICED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 768254910 YCILYQQWMIHGBA-UHFFFAOYSA-N 435.296 0.833 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 769632709 FZOFOHBZURLDJL-UHFFFAOYSA-N 431.426 0.790 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc4c(c3)OCO4)c2=O)cn1 772312344 UKORXUMZQBLTEX-UHFFFAOYSA-N 449.492 0.952 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1F 775821048 WDUIOBAJPBNHJS-KDOFPFPSSA-N 446.522 0.756 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 783548088 YBCORRJNYYGWPG-UHFFFAOYSA-N 436.939 0.692 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCc3cccnc3)c2=O)cn1 794628858 PSWXHQCWBDUFKU-GOSISDBHSA-N 449.536 0.780 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804019849 UVMRUIHRCSSUFQ-DLBZAZTESA-N 427.461 0.122 30 20 ICED CN(Cc1nnc2ccccn12)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808240893 YBCAMIHYOZIOMW-KRWDZBQOSA-N 431.456 0.477 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3cncc3C2)c1 810460951 JMIKPZWPAJETMH-OQKWZONESA-N 430.490 0.677 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)cc1 858005664 VWXHLULEUYIELV-AWEZNQCLSA-N 436.486 0.555 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)c2ccccc2C1=O 919762110 OWNYLLKNDVBFPH-UHFFFAOYSA-N 426.454 0.528 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)CC2)cc1 1144923507 PVXGKZCJKHNPCY-FUHWJXTLSA-N 432.502 0.916 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CCOC 1344416771 YRBSJEMQDYFYBC-UHFFFAOYSA-N 449.536 0.762 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1554435067 MGOBLSJYVJYEGH-UHFFFAOYSA-N 437.504 0.638 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC(=O)N1C 1693830496 QJJIDOQOLMVVBP-BTYIYWSLSA-N 426.477 0.547 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1696929897 JTVKTFUBTPKYBA-IBGZPJMESA-N 431.522 0.328 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1761483471 YWTNIVRAZBIKGP-ZENOOKHLSA-N 448.546 0.298 30 20 ICED CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1766074567 OJVJCOWVKSAZEK-HRCADAONSA-N 425.559 0.349 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)CCOC1 1767483777 PBNPLNGWNFFOFZ-CSODHUTKSA-N 448.524 0.154 30 20 ICED COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1769853685 JBYLLVXGZDJDGU-HZPDHXFCSA-N 442.476 0.386 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017468 PZXFKDQEJXIYEM-FNNTWHHHSA-N 432.525 0.445 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1780175460 JVMLKYKDHWLUBW-FQEVSTJZSA-N 442.501 0.921 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1782054655 FQQRBKMWTDKSOQ-IIBYNOLFSA-N 433.530 0.991 30 20 ICED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782395380 UKLGRBRHDXOXDF-DYESRHJHSA-N 435.521 0.555 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(C3CCN(C(C)=O)CC3)CC1)CCO2 1783051596 FPIBSJHQNDDMFC-QHCPKHFHSA-N 430.549 0.172 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1784018568 UERFAXQJARZTTL-JPYJTQIMSA-N 427.501 0.807 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c1Cl 1784576935 KZPKYCNJMTXZEX-TUUVXOQKSA-N 432.864 0.913 30 20 ICED Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c1F 1785777066 YKBSISVXSKEHFC-JYJNAYRXSA-N 434.516 0.743 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860664 OPJZDYNVMGIADG-VJANTYMQSA-N 435.569 0.553 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4cn5c(nc4=O)SCC5)[C@H]3C2)C1 1789708805 GINJJUIFEGCXNU-WBAXXEDZSA-N 444.557 0.837 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789805489 NCTURYQLLAYHGZ-FHWLQOOXSA-N 436.622 0.665 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(O)C(F)(F)F)C[C@@H]21 1789890351 OXZNXWLZEOXSLY-NUXNZHGMSA-N 436.427 0.789 30 20 ICED COc1ccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(F)c1 1791130962 KMWDAIONNMCZHC-CASRODDKSA-N 430.432 0.915 30 20 ICED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1792485043 FXAXHQJKFSMJLQ-MIFYACCESA-N 442.501 0.977 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(=O)Nc1cc(C)on1)C2 1792564339 VKFDJSBZMJLYPY-OXOVRFNWSA-N 429.477 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1793340663 NHDHLXWQZRMLDG-UGNRZPKXSA-N 442.516 0.160 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851655 MTZVCUNQSKBCEP-YWLDUAJSSA-N 432.477 0.469 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc2c(c1)OCO2 1795318799 FBLYYODCGBGKPC-FCQWJQKHSA-N 428.485 0.976 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527396 OZXRWEWZFWNGFL-AJYBTWMASA-N 430.505 0.406 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796316170 APRPLXCMVZENHB-DMUMMCEESA-N 427.505 0.527 30 20 ICED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)n(C)n1 1796508928 GQICPPSILMEUPN-ZSBFGKGUSA-N 446.508 0.908 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2n(n1)CCCO2 1797437382 AWJLEIPHQNZZRF-OZHCATNZSA-N 447.492 0.398 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797968888 VOGWXYHZKMYAGU-QXGSTGNESA-N 432.452 0.052 30 20 ICED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798751194 GDNHVTZEQRVTNV-FVCICTRLSA-N 447.444 0.918 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CCOC1 1799333816 HLISZYBRLWXYBK-KJOVKWNASA-N 436.509 0.564 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680914 YCGRKXDWGGNIFW-HCZIRCDUSA-N 431.555 0.374 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)c1 1799803676 YINYLGHRKXHJBK-IMLKGASGSA-N 429.473 0.686 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1802126331 GCHCRCYQHFUMKS-LORHWOILSA-N 445.520 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(=O)n2C)[C@H]1c1cccnc1 1805307187 VPYRLWDSOQLTIW-KMOFIXPOSA-N 449.511 0.958 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806920035 BOJBINXDPQCGTB-RXVVDRJESA-N 440.548 0.992 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809679163 QWNWVJKPFJYYLG-REWPJTCUSA-N 425.533 0.665 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1810350351 AHJVVMWAYRTDGE-LGVFNWMJSA-N 449.511 0.923 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815248449 FTVKHIPKUDRCRA-DOMZBBRYSA-N 425.511 0.899 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)C(=O)C(=O)O 1817319386 AMFNEIXARIVKHY-CQSZACIVSA-N 447.496 0.227 30 20 ICED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1)C(=O)O 1819843499 JUAIQGBDHUMZGU-ZFWWWQNUSA-N 448.545 0.816 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2NC(=O)C3=O)[nH]n1 1822201721 RBUFEERQIXQCDR-CQSZACIVSA-N 435.396 0.938 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047872 VDEURZMUNOEOTE-QAPCUYQASA-N 440.504 0.689 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830053021 DSRGJPANQHHGKR-OAQYLSRUSA-N 429.477 0.660 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831200945 TVLMEBIHLCASAQ-JTSKRJEESA-N 439.553 0.322 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831391750 GMBUUGVZCLHNOM-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1831396569 FSMGGTZWOAXNJS-SBUREZEXSA-N 446.500 0.812 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 1831402072 NBCREVBZFIGXNN-SELNLUPBSA-N 430.501 0.949 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831426917 LNXWBEWQHXSMEP-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831522417 ABQKSBUCXPAXFX-JWNTYJGQSA-N 445.516 0.800 30 20 ICED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1833453517 MWYXTUQLEPUAKP-INIZCTEOSA-N 444.598 0.794 30 20 ICED O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)O1 1833512711 IEFJNMIKEGQFQK-IBGZPJMESA-N 446.548 0.365 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530534 HPFUVGKZKUDWTP-HXUWFJFHSA-N 434.518 0.307 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833765938 NGCCSSRZZMFBRJ-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1834765895 MAKIBVSHEQIPDM-GOSISDBHSA-N 437.294 0.757 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835536891 SMYSYULMVIPINA-IBGZPJMESA-N 447.469 0.160 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836139229 IKKXMHRCHWMVRQ-FQEVSTJZSA-N 428.424 0.059 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977868 PIKIAJLZIRAKHG-AUSIDOKSSA-N 446.548 0.863 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1837187268 XFAAPYZULLPUMW-LJQANCHMSA-N 447.289 0.800 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837213954 SKGCGIYAGCIHQO-BLIXFSHQSA-N 426.510 0.622 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1837310766 XUIAJOKGLYVBIQ-NJNPRVFISA-N 436.553 0.919 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1837398508 CKBWNNHOAZEVDG-VGOFRKELSA-N 449.504 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1837400731 MWOYZFBMIGLAOZ-HTAPYJJXSA-N 448.520 0.518 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1837442136 PYKBFUHDRCQAAZ-GVFUYMABSA-N 444.532 0.994 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443490 CGOAFURNXTUVDS-ZOFPFIKPSA-N 436.553 0.488 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837963440 VZYNIIYTBLQMQB-MEDUHNTESA-N 436.456 0.827 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838440284 VXAMTLKPODWSIP-XCLFUZPHSA-N 434.518 0.667 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949394 AKBYABQXHUZSHR-AOMKIAJQSA-N 428.489 0.543 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1839174895 CAINTHHALJNJOF-QFIPXVFZSA-N 447.488 0.670 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186042 WSHQVNSSXYEDAU-QRQCRPRQSA-N 446.479 0.208 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450796 HLRBWNOSJHYZGU-UZUQRXQVSA-N 442.516 0.851 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN(CC)CC)CCO2)C1 1839678368 VJEHZIOIAOKSGE-SFYKDHMMSA-N 439.597 0.994 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1839808116 LVYYYJNOTSXUCT-QGZVFWFLSA-N 426.242 0.686 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839842780 GHNZKJYBNPQESG-AOMKIAJQSA-N 441.488 0.372 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1)C(F)(F)F 1839892794 HCKIBGWWDQLJTH-DYVFJYSZSA-N 436.431 0.269 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)OC)CCO2 1840084249 YXNKYEWRCACCFI-QFIPXVFZSA-N 429.473 0.345 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1840165483 ZWJREMOAPIMBEO-GGAORHGYSA-N 430.501 0.989 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1842919273 MWTGPLLMHBXPBN-UHFFFAOYSA-N 447.561 0.725 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@@H](O)C1 1843983762 LNKSATVCYRPDAF-BTYIYWSLSA-N 449.504 0.286 30 20 ICED C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(c2cc(C#N)ccn2)CC1 29450858 UYOHLLAKGLTQSZ-CVEARBPZSA-N 442.545 0.989 30 20 ICED CN(Cc1cn(-c2cccc(Br)c2)nn1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410423518 CECGQQSTSZUIDA-HNNXBMFYSA-N 441.311 0.931 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 426280056 XULXVIGFEBKLSI-UHFFFAOYSA-N 432.462 0.993 30 20 ICED CS(=O)(=O)C[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 429402299 HBAACOHSJGCIQQ-HNNXBMFYSA-N 447.517 0.821 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc2)C1 438873391 ZIFAXYGKMWSMBM-UONOGXRCSA-N 436.490 0.617 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 440272777 CTSXTIPCFQKHCI-UHFFFAOYSA-N 446.471 1.525 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 443192424 JMZVPCSGUXQNGJ-UHFFFAOYSA-N 438.535 0.019 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 444417525 QJOYVJZRLLBSSV-QGZVFWFLSA-N 440.504 1.498 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 465315788 LTBSCXFKBBVQSD-UHFFFAOYSA-N 448.505 0.355 30 20 ICED COc1cc(OC)cc(N2CC[C@H](CNC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1 465354331 ICHZTUUFUXMZFO-OAHLLOKOSA-N 426.477 1.395 30 20 ICED Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2C)cc1S(=O)(=O)N1CCOCC1 479118195 DTMYDOACXLJACZ-UHFFFAOYSA-N 425.492 0.422 30 20 ICED Cn1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 480602695 BMGQVOGOESHISD-HNNXBMFYSA-N 437.909 0.309 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(-c2ccccc2)c1=O 484567090 GQLVJBJYYXCZHC-UHFFFAOYSA-N 437.550 0.711 30 20 ICED CN1CCN(C(=O)CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 501026679 CYDNHGLLPDKDEN-UHFFFAOYSA-N 441.492 0.802 30 20 ICED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 502641283 CUYZNLHIRGLFPC-OAHLLOKOSA-N 432.282 0.549 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)NCC3CCC3)C2=O)cc1 505512106 APYTUHVEWIPLBN-QGZVFWFLSA-N 447.517 0.599 30 20 ICED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508695878 FKGJLIDQDAGQCR-ZACQAIPSSA-N 440.570 0.792 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 509139883 OATTWOPDQASNPR-ZDUSSCGKSA-N 435.462 0.451 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC=C 515649590 RISGVUCNMCUHDL-UHFFFAOYSA-N 425.510 0.926 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 523081436 MBNFLHBTWAGCGO-UHFFFAOYSA-N 443.525 0.745 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 531755300 DHSGFULTKVIEKQ-UHFFFAOYSA-N 438.431 0.088 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533343422 JCDAZXVAPZSZDC-IBGZPJMESA-N 448.545 0.809 30 20 ICED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533441561 KWDPVMATLLHIKY-ZBFHGGJFSA-N 443.460 0.717 30 20 ICED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 540276637 BTQNISPTQWSRIB-UHFFFAOYSA-N 443.485 0.037 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 545493493 AOJNVMRXQWPSEX-UHFFFAOYSA-N 445.476 0.924 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 557660316 MOZGFIGDXMLZND-MIGBEJBISA-N 447.561 0.425 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 558014834 XEWHWJBEYWJVRB-FQEVSTJZSA-N 437.548 0.967 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)ncn1 558340588 PYOZUTHVRFOFIZ-IBGZPJMESA-N 448.531 0.739 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 563733725 QGQXXCZJAMIMHE-UHFFFAOYSA-N 425.467 0.459 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 571559736 VTQQRRBGULJXIA-CPLUKWAASA-N 447.495 0.130 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCO1 572685500 WOLJNYDZZGROMB-INIZCTEOSA-N 433.490 0.614 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1C 574370940 SQIBJKUCEFJLND-UHFFFAOYSA-N 434.460 1.189 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581780645 NWAKPMJFHPCQQJ-MJGOQNOKSA-N 449.515 0.689 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2=O)cc1 588865214 ZSALCHFMFHMWTD-VQTJNVASSA-N 439.516 0.493 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1C 590984144 XMQDNHXRRGYOEM-UHFFFAOYSA-N 440.294 0.614 30 20 ICED CCCCn1c(=O)nc(O)c2c1nc(Cn1cc(C(=O)OC)cc(C#N)c1=O)n2CC 603444271 VHTXVEYHXFJXLH-UHFFFAOYSA-N 426.433 0.987 30 20 ICED CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 603551206 GSVQZZZSNPGDET-LJQANCHMSA-N 449.577 0.931 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)nc1 604196015 ASHPVVFHQRGNML-UHFFFAOYSA-N 430.490 0.265 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)C1=O 605102268 BYJDPZMQACJXST-HNNXBMFYSA-N 428.445 0.910 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 613103399 CXKRWEGBMUGSMD-CJNGLKHVSA-N 447.459 0.430 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCOC2)c1 619859541 UWKRLWBYEAEDGM-WBVHZDCISA-N 446.533 0.961 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)s1 684535526 QVGHHFZAQHNSME-CQSZACIVSA-N 445.566 0.867 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 729258001 ZVLZUYNVROCYPF-UHFFFAOYSA-N 446.529 0.137 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 731077452 HZFQVMIXOJLUKM-LBPRGKRZSA-N 437.503 0.964 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 735590657 JJGRFCNDZQXPEM-JKRPTORDSA-N 435.550 0.894 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742649988 JTEUJIZVJBUSDM-CHWSQXEVSA-N 428.536 0.031 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746572267 KYNHHOCIPJGMFP-AWEZNQCLSA-N 431.470 0.691 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748783484 QQCOJPNSFFZWSJ-UHFFFAOYSA-N 442.563 0.293 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2n(C)c1=O 749519792 BNWIYLQDDZZZNH-GFCCVEGCSA-N 428.449 0.217 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C 750312866 UNPXTWGTYVECGG-MRXNPFEDSA-N 439.480 0.505 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 751467563 YXITVRQCUDIOPI-UHFFFAOYSA-N 427.473 0.721 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1CCOC 755627195 JYMISUPWLODSPR-HNNXBMFYSA-N 448.570 0.893 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(F)c1 757647423 QHTAXUQJLBFYJV-UHFFFAOYSA-N 429.430 0.978 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 758328564 SOKQCEFPDLKFGQ-QWHCGFSZSA-N 432.506 0.373 30 20 ICED C[C@H](OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)NC1(C#N)CCC1 787725252 UOEXKSKMCBFUDF-WFASDCNBSA-N 426.429 0.411 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)n1 789787780 LRRCMXHIHVFRBG-UHFFFAOYSA-N 436.476 0.723 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1)c1cc[nH]n1 789993140 SFTZTFAXJUIHBN-UHFFFAOYSA-N 429.481 0.886 30 20 ICED COCCN(C)c1ccc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 790163921 FQZLTUWPYCJSGO-UHFFFAOYSA-N 447.565 0.941 30 20 ICED COc1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1C 810427171 AMRCJFQJMOEVHG-PXLXIMEGSA-N 434.478 0.819 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 810480486 CPBUJMKJQZQXHD-WAXGRNCXSA-N 434.518 0.810 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)nc2n(C)c1=O 916965782 IPGWZKSDYKOYJX-ZDUSSCGKSA-N 435.396 0.365 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)c1 1318005164 GWLUGNBTOZWDPR-UHFFFAOYSA-N 430.486 0.929 30 20 ICED CC(C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1360269400 INKKCFXPNLABNI-AWEZNQCLSA-N 431.522 0.913 30 20 ICED COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc(OC)c1OC 1504081851 YFMKOGJEDHSFSO-AWEZNQCLSA-N 430.465 0.788 30 20 ICED Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1510426036 UCTQSLOXMZXLCO-TZMCWYRMSA-N 439.567 0.933 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1557008351 XORNYNLJFGBJOQ-AWEZNQCLSA-N 440.547 0.252 30 20 ICED CC(=O)NCCN(Cc1ccc(Br)s1)c1[nH]c(=O)n(C)c(=O)c1C#N 1612291444 OQYISWSGPATPPI-UHFFFAOYSA-N 426.296 0.912 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)COc2cccc(Br)c2C#N)CC1 1616414483 VGDGVXDUZLGWHL-UHFFFAOYSA-N 437.294 0.897 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCO1 1622367116 RPZDXBWDOLJQPD-HUUCEWRRSA-N 438.472 0.968 30 20 ICED CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1750531819 QHBWZIBIXCFVFQ-DNVCBOLYSA-N 440.570 0.902 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1777983918 QUZMEEIJUUYWPJ-GCKMJXCFSA-N 436.557 0.229 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)c1 1779210018 VXGLEVNGWOFFOG-LFTXJPJQSA-N 437.456 0.795 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937704 ZXOXLRGFCFMMFF-DOQJBMMISA-N 445.520 0.276 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1780739792 YWEDNTATBJEVME-QVKFZJNVSA-N 448.476 0.525 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1783901063 UHXOGIIYEJMXMD-LRDNONRASA-N 445.582 0.799 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380878 ZVPUOJIGIJXCFR-IIMAJNMQSA-N 433.530 0.926 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269576 LLOOOCJLEABJEC-DZKIICNBSA-N 443.508 0.398 30 20 ICED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)cc2)CCC1 1788317065 QLLWNNBXQLOWFW-UHFFFAOYSA-N 442.453 0.674 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1788571436 LIHJJDKIWPZETR-OTRWWLKZSA-N 436.484 0.949 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1cc(=O)nc2sccn12 1789135773 ZQUPIYVAWJNOMH-ZOBUZTSGSA-N 426.498 0.763 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)c1 1789198050 CQHPSZIQOOJNIN-MPGHIAIKSA-N 447.455 0.196 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789389485 QSACQHUGHCLHNA-BQYGTXGQSA-N 431.449 0.375 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792628205 IBDOVHPNSHDAFA-CWPLJXCYSA-N 431.468 0.101 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1793343534 ZAMLPMXIYPITLJ-NSAZKJPHSA-N 439.512 0.660 30 20 ICED 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 1793705856 ICAZAXGLPXQIJN-KVSKUHBBSA-N 433.284 0.927 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(NC(C)=O)c1 1796747546 RGANIVBWKNJGNM-XEMDLRDOSA-N 444.488 0.753 30 20 ICED 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)CN 1796781945 GHOKLWBWPWICKL-FLXSYLCISA-N 435.569 0.607 30 20 ICED 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(c3ccccc3)=NN1)C2 1797709865 FGXFVHCXFHQUMJ-CXUGJCBMSA-N 440.544 0.915 30 20 ICED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(C#N)cc3)CC2)CC1 1798921336 YYZFVHJCSCGCOM-WKCHPHFGSA-N 437.544 0.541 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327177 CNAWTHGJZNYPDI-FHTPNYMGSA-N 447.463 0.445 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 1799823592 JKWMEHXYLBDPQC-CCWDJLKJSA-N 429.429 0.998 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1801166907 IFLYPGVORMUHSY-LJCCNALRSA-N 427.505 0.378 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801356350 XSTYNTNRYTYCBO-IVSAIRAKSA-N 432.477 0.968 30 20 ICED CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819898149 HJEPLCUBRHHVJG-YEHZKWQTSA-N 444.535 0.629 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825198696 JKVYDPRDAMKCGH-UUIRDPAUSA-N 435.506 0.720 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)COC1 1830030730 FEPNKOBIFFUNLU-UFPODPAQSA-N 425.482 0.008 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1 1830051071 VXXCHDTVWBHBDO-XMSQKQJNSA-N 431.489 0.735 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1831425231 RVPGBUYIKPCQJM-RFWXGWTQSA-N 431.533 0.776 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831425392 CYIHYVDMEQYDLZ-VGSWGCGISA-N 432.521 0.809 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2)c1cccs1 1831763412 VSLBGPWPHVYFAM-WUUFJKRQSA-N 430.486 0.980 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832730015 SDUKMLBTIOBOOG-VGSWGCGISA-N 430.505 0.480 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833556620 KRNZESBXYKQJDV-IFXJQAMLSA-N 427.885 0.971 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834357388 ZABOSXCWYBHKCM-NRFANRHFSA-N 433.484 0.573 30 20 ICED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834413570 FPGBFBSQTNQGRX-XZEIMLRBSA-N 429.477 0.685 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccon2)CCO3)c1 1834488359 UHIWBTHFXBCMFS-NRFANRHFSA-N 426.429 0.939 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587433 ODSDRMFQLKQIBA-QHCPKHFHSA-N 443.500 0.556 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)CC1 1835346145 RXVMLUGPYYAHKT-HXUWFJFHSA-N 430.417 0.674 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835351909 FATRZGHKKLHIQY-KNQAVFIVSA-N 426.473 0.940 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835440729 FARJEDLFETVFMJ-FQEVSTJZSA-N 427.567 0.084 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccnn3)CC2)CC1 1835717962 TXCQPWRCKKIIQL-VQIMIIECSA-N 432.569 0.984 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nc4sccn34)CCO2)C1 1837140639 BPMXNTGBXVMVFN-HRAATJIYSA-N 446.529 0.813 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1837300407 DVNBAEDNVDRTNA-JTSKRJEESA-N 431.489 0.924 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440107 CLIUDGKBVXBNQD-GVFUYMABSA-N 449.596 0.646 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560371 OSOFDBUNUQRICH-NWEJRVMESA-N 444.488 0.013 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837664650 UNOLAQOXJPOMOJ-JOCHJYFZSA-N 445.520 0.638 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCN(C(=O)CN)CC2)CC1 1837840356 QMUPROYDZZWJSC-SFHVURJKSA-N 436.553 0.860 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525262 OWVHKJUDERUIBU-OAQYLSRUSA-N 444.444 0.903 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)COC(C)C)C3)C2)c(C#N)c1 1839131201 RTVLFIIHBWWDGB-HSZRJFAPSA-N 445.516 0.991 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223398 USQUSLLRHJRGMQ-JXFKEZNVSA-N 426.514 0.112 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224758 YFDSLZTWFRLFDP-IERDGZPVSA-N 434.493 0.961 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1839421943 URDZDFXEWMNARA-FQEVSTJZSA-N 428.424 0.059 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633970 YRPRZLRGRBGBID-AUSIDOKSSA-N 439.516 0.759 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)CCO3)C2)CC1 1839634557 QDONHTDNUOGWPW-CVDCTZTESA-N 437.500 0.513 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 1840042911 VPWHOXRANGLGJB-FQEVSTJZSA-N 446.847 0.146 30 20 ICED Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)n1 1840043988 GVWUFRBRTFTXKJ-JOCHJYFZSA-N 429.473 0.175 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840291721 BPKMBIAFSNEXKJ-QHCPKHFHSA-N 444.532 0.785 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Oc3ccccn3)CCO2)C1 1840425227 NLCONFXEBWSHEU-IEGUWTFLSA-N 447.532 0.878 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1840843339 KZRAFDPGVAQCAA-FYYLOGMGSA-N 445.491 0.873 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808684 YWHMYXVOMJNWHT-CQSZACIVSA-N 434.456 0.426 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195545 BUEJORUYIJPDGM-GJZGRUSLSA-N 437.468 0.873 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 18038886 HSDZTGANUUMJRD-CALCHBBNSA-N 442.497 0.342 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 111010699 CRHRNPKISHREPM-KRWDZBQOSA-N 438.510 0.737 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 409546167 SSZMUQNHGYVHRY-UHFFFAOYSA-N 428.536 0.676 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1=O 410118165 VISGOXJLECAIEW-LJQANCHMSA-N 448.545 0.398 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(N(CC)S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410414388 RMPPNKOSBRPWTN-HOTGVXAUSA-N 448.615 0.445 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCO1 429983617 CWJWXBFIUMHALH-YPMHNXCESA-N 448.423 0.369 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccsc2)c(=O)n1C1CCC1 430985639 AKJDBVNLWMFFAJ-UHFFFAOYSA-N 449.579 0.456 30 20 ICED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2ccc(C#N)cc2)[nH]1 443408127 JYQOZOQFNKENNF-UHFFFAOYSA-N 446.514 0.920 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCN(C4CCCCC4)C3=O)n2)cc1 443650183 HRVHMDQYLMNWAU-LJQANCHMSA-N 449.515 1.576 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CO1 462447175 VECGHZGIRLZAFJ-CABCVRRESA-N 428.536 0.219 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](CO)O[C@H](C)C3)nnc12 470380158 UNWYQVXPYCZPGF-KGLIPLIRSA-N 429.502 0.931 30 20 ICED Cc1ccc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(N)(=O)=O 472164410 UJPNKVWWRMPAKU-UHFFFAOYSA-N 431.522 0.317 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(=O)NC)CC2)cc1 473286373 CVPQPJJIQLARIJ-UHFFFAOYSA-N 436.534 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1 497977234 QTWDEBWSUOCXBM-KRWDZBQOSA-N 437.491 0.130 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(C)cnn2C)c1=O 505698720 AVYKGFPQXLMSDY-UHFFFAOYSA-N 431.562 0.798 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 508621972 NSDDJBOANNHMII-SFHVURJKSA-N 438.488 0.186 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 509949493 QPMGCXYSLUMFSJ-CYBMUJFWSA-N 426.524 0.348 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2CC)c1=O 512757025 CDNFBQDWWGUCIS-UHFFFAOYSA-N 429.546 0.747 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)n(CCC#N)n1 533000269 OHCFBOZSTSOBQI-UHFFFAOYSA-N 445.568 0.986 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 533692569 KMJSQJAYFGUOMJ-UHFFFAOYSA-N 436.896 0.607 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 535827082 XFSIWFPPQNPMJO-KRWDZBQOSA-N 426.454 0.862 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1CC(N)=O 563489792 OAWYQXZHVWAABN-UHFFFAOYSA-N 436.537 0.834 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)cc2F)c1 567066841 DQJKNNNMZBEUNV-UHFFFAOYSA-N 436.403 1.535 30 20 ICED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 569477210 WFELWRHGONDJOA-UHFFFAOYSA-N 425.493 0.424 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 571783507 FZXBCWFTNKESRT-IRXDYDNUSA-N 438.550 0.917 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CCCSC 579011629 SSHQCQFHFBNBAM-UHFFFAOYSA-N 435.575 0.145 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 588124055 TZTBDLQAULPATA-HXUWFJFHSA-N 438.532 0.040 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588232614 QYGSZSKUNGUXQW-HOTGVXAUSA-N 442.520 0.835 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1 588843621 XYIDPFNOTNOXRK-OAHLLOKOSA-N 432.506 0.904 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 588869786 LLWRCEISOLQZGN-CEXWTWQISA-N 437.500 0.293 30 20 ICED COc1ncc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1C(N)=O 589438640 HOMPVOORWZEKLR-UHFFFAOYSA-N 429.462 0.113 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCCSC 590996125 VPOFNIOYXIEMKH-UHFFFAOYSA-N 432.571 0.714 30 20 ICED CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 603551203 GSVQZZZSNPGDET-IBGZPJMESA-N 449.577 0.931 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 608778778 HBLXCRIGTDSJJT-UHFFFAOYSA-N 430.505 0.473 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828393 SDQXMCFRYFYTQW-UHFFFAOYSA-N 434.477 0.256 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 609952939 GDBMKVWAKBNRTA-UHFFFAOYSA-N 433.578 0.871 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)n(CCC#N)n1 615307084 MOQICUGOYTVNQJ-GOSISDBHSA-N 434.460 0.700 30 20 ICED COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 726889078 QCGPEFHEXSXXJF-CQSZACIVSA-N 435.506 0.453 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 728536264 QVUBQWSMFCKGCB-UHFFFAOYSA-N 442.545 0.570 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1 728572430 CVJFDOJSAQMUCU-FQEVSTJZSA-N 428.533 0.734 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 733149598 MQLKEYKMVBVPSV-QGZVFWFLSA-N 440.500 0.094 30 20 ICED N#Cc1ccc([C@H](OC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C(N)=O)cc1 734565981 XFGGZSAAMSWJEX-IBGZPJMESA-N 445.453 0.768 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1cccc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 744014738 YRYUBIKARYAYJH-GFCCVEGCSA-N 432.483 0.880 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)c[nH]3)CC2)cc1 748224976 BHAHWDOZBLDRMT-UHFFFAOYSA-N 432.458 0.585 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755554613 UKQHDPPSNXANTM-BBRMVZONSA-N 445.476 0.625 30 20 ICED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 757855531 CXGNLUYYQKZILT-CQSZACIVSA-N 431.923 0.486 30 20 ICED N#CCOc1cccc(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 761155961 MBMBRGNBQOAZPG-LJQANCHMSA-N 435.546 0.869 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766014908 FJPWVRPXSZHURQ-OAHLLOKOSA-N 436.534 0.337 30 20 ICED COCCC(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 768353494 XIMQBXDUAAGHSU-AWEZNQCLSA-N 436.534 0.647 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770886265 MPJFXLTZTRXASA-LLVKDONJSA-N 434.424 0.925 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 774858515 HNJFELHDVCMUKN-LJQANCHMSA-N 440.479 0.810 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCC1 777365594 NLMZUOKJZNQTKA-ZDUSSCGKSA-N 428.511 0.642 30 20 ICED N#CC1(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1 784185912 ISHSECOXBQFTCU-UHFFFAOYSA-N 437.474 0.622 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 798228692 PDFPRIWQLBHAEE-BUHFOSPRSA-N 435.430 0.488 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnnn2C)c1 807539065 CHXFDPITOAFNKD-QJOMJCCJSA-N 447.521 0.663 30 20 ICED CN(CC(=O)OCCOC1(C#N)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 809083002 FYTPTTVXKXCPAQ-UHFFFAOYSA-N 427.435 0.848 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)[C@@H]1CCCO1 809305771 JJHBRGSDMKQKII-QUCCMNQESA-N 428.533 0.573 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1 810054443 SMYIINCFSQUDJL-UHFFFAOYSA-N 428.430 0.173 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCc1cccnc1 812278890 JLVAHLWLPOWDME-UHFFFAOYSA-N 444.467 0.468 30 20 ICED N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 812616873 TUSWEGLFNSOYGU-UHFFFAOYSA-N 437.474 0.528 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(C1CC1)[C@H]1CCS(=O)(=O)C1 843375019 GYVBNHIBHNBQEU-AWEZNQCLSA-N 425.532 0.683 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 912523969 MPPOSHRMKDCVCO-ZHZULCJRSA-N 441.491 0.810 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCCNS(C)(=O)=O)C1=O 914557386 PFHXASQWPHEAOB-AWEZNQCLSA-N 428.536 0.702 30 20 ICED N#Cc1ccccc1OCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 917730359 AHHFGGBYHCHUST-DLBZAZTESA-N 436.486 0.675 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(C)C 917765698 WKZBLTFULXKQLZ-UHFFFAOYSA-N 431.562 0.783 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1116144996 LSWWTHNFCZMRJV-OAHLLOKOSA-N 438.531 0.132 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)c1 1166314692 VNYHINJALXDGJT-UHFFFAOYSA-N 446.485 0.270 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1254641477 JTIAIIJWDPTNAX-HXUWFJFHSA-N 427.553 0.581 30 20 ICED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1302508441 NALLFFOCDVFFMD-LJAQVGFWSA-N 449.558 0.875 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1314563508 PKPAJCVLKHZHGX-HNNXBMFYSA-N 434.522 0.893 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNS(C)(=O)=O 1328178689 WYFMOWRZZLUJSS-AWEZNQCLSA-N 430.552 0.147 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1502239282 XKKAHXYADJYDQP-UHFFFAOYSA-N 435.492 0.771 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1503433041 YYEJHVUIFRHCNC-WMZOPIPTSA-N 447.517 0.767 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC(=O)N1C 1512402566 AIWGNASMSHXKFR-HNNXBMFYSA-N 435.492 0.658 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1611711448 OCWXZLTVODHVPL-ZSZQSSIHSA-N 434.522 0.525 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1619598618 PGUKHTNIYJMBHF-RBUKOAKNSA-N 428.493 0.819 30 20 ICED CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695351770 PVWHQXGPWVHTPF-KGLIPLIRSA-N 433.542 0.675 30 20 ICED C[S@](=O)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1731022953 KZBXLQBOUYLWNR-QRYFSLSHSA-N 428.518 0.885 30 20 ICED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1731185286 WZNKOTYEQMNDOJ-UHFFFAOYSA-N 436.538 0.194 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1765656364 JPTRQYXHRFYUSW-UHFFFAOYSA-N 446.537 0.217 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1767627219 YPWQFGMRZFPJQD-YADHBBJMSA-N 440.504 0.843 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)c1 1778576006 PIDXBTCZWJDLQA-JOCHJYFZSA-N 435.440 0.975 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1779019640 BSUCBQRBDCVHGX-ULCBCJLSSA-N 428.537 0.816 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101288 MEJLFVWNFGGEOB-WXRQGEQDSA-N 435.481 0.401 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1779262394 RCUDMLFEUXPXSW-URZJWIJPSA-N 441.440 0.323 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779347052 SFLAPGIQRPENPP-QFIPXVFZSA-N 444.536 0.650 30 20 ICED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1)C(=O)C(=O)O 1780350421 YJFMLZBQIUNOTP-VGOFRKELSA-N 442.472 0.229 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1780438661 JFUUDLHPWCQUDJ-QFIPXVFZSA-N 439.472 0.823 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)c(Cl)c1 1781967833 ANLJKKBBRMFWMP-FOIQADDNSA-N 445.863 0.253 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783600279 JVNNSPYKEGJWTE-JLTOFOAXSA-N 438.481 0.186 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385531 SSXQHDJMEOBSHH-VJANTYMQSA-N 449.548 0.655 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694300 WBIXZZUBUCDHJL-ZVZYQTTQSA-N 446.529 0.523 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789715810 BZRQCSFYSAKUOX-CADBVGFASA-N 441.532 0.825 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)CCC1=O 1792422906 CEGGUGUGHOZEGU-OPMZPASUSA-N 437.500 0.689 30 20 ICED 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)C2 1793594961 HPOQUBSQHFSRCS-SFNKJDCFSA-N 438.569 0.997 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1795597422 JDXDLADBFHPBQL-CWPLJXCYSA-N 430.505 0.642 30 20 ICED 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 1796083814 GTCBCQJZHBLRQN-JJTUDDRGSA-N 449.552 0.134 30 20 ICED C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796412924 PLJNSBWRNIIYHA-LVQVYYBASA-N 434.566 0.815 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(=O)n3O)C4)c2c1 1799883409 GWGHLIRPTVAYQD-HBCWATKFSA-N 448.439 0.351 30 20 ICED CCOc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1OC 1800781154 KKSUFZVNIVEWKU-MFKICJERSA-N 430.457 0.314 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801966516 AXZGCWBPVDNIHR-XEMDLRDOSA-N 436.553 0.705 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC(=O)OC(C)(C)C 1802120304 INWKPBYFRUTEFL-BMFAXAFESA-N 437.537 0.919 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1802124714 GIUPPTBOVXKLLJ-SFNKJDCFSA-N 445.520 0.389 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804183269 MKSKDOKXEYBEPF-ALKREAHSSA-N 429.477 0.230 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1806620515 VIYZUEZKPIKONV-QTJGBDASSA-N 448.523 0.790 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807143872 PHVSZEAYOBEHGJ-PKOBYXMFSA-N 449.577 0.804 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1808658997 FNVFLIVBSOMOGG-OXJNMPFZSA-N 425.445 0.332 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812342844 GBWPVNMDFCCFOF-BBTUJRGHSA-N 439.516 0.917 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812392144 MLLXXYARGKSTRH-UWWQBHOKSA-N 447.492 0.431 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816623380 MUUYJNXASRGEHB-CZUORRHYSA-N 439.476 0.694 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824970561 SEOUQUHEWHCCKM-IRXDYDNUSA-N 434.537 0.731 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 1825077915 ZLSFWHPMFPLINK-WBVHZDCISA-N 426.477 0.718 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1829907663 OHADTYGAKYEVHK-HSZRJFAPSA-N 427.501 0.862 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831115418 OORIJZAQPVFPQW-NRFANRHFSA-N 426.429 0.639 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207289 BPXREIUWHHHXNY-AOMKIAJQSA-N 435.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1831402199 QFYIJAIAJCBMPN-MHECFPHRSA-N 442.512 0.659 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831438053 KYTFTQVRODDLSB-PGRDOPGGSA-N 434.537 0.627 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1831697492 ZBARWBHEMIAULF-IBGZPJMESA-N 431.480 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1 1833075134 WKTXYTAXTNCLFK-LDBCMITESA-N 432.565 0.984 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599964 WOVGCENVGPGYMJ-OAQYLSRUSA-N 449.529 0.359 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1835101688 HYIDJLPVKISZIC-DEOSSOPVSA-N 434.496 0.917 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnc(C)n3)CC2)CC1 1835218840 NRGXOGQBUIUDCE-PLNGDYQASA-N 440.548 0.829 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349754 VOMLCNGPIBKTAM-OAQYLSRUSA-N 436.509 0.661 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835356763 KPOYFDPZMGNNSK-SFTDATJTSA-N 428.445 0.481 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1)C(F)(F)F 1836056664 WZPMZXOCFPHCAP-SFHVURJKSA-N 428.411 0.984 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c1Cl 1836352140 NPFMRBPKMRNPNS-IBGZPJMESA-N 430.852 0.714 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C(=O)c1cccs1)CCO2)C(=O)O 1836520790 RTCJANXNIYPJMP-ALYZIQHUSA-N 448.497 0.974 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)cc1 1836848218 KUORIJPESVNZTA-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1836859102 OJGBNWKGJCKSIL-OXQOHEQNSA-N 437.537 0.174 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837019948 PTUOHQVSYGUFRI-HRAATJIYSA-N 444.492 0.600 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443816 KDTJNBMBYPPZGG-XZEIMLRBSA-N 432.525 0.568 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)c1ccco1 1837525272 SZSCCMZDKSGSDE-JGYVSQDVSA-N 449.460 0.448 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837564335 IIWOKSDCVSLNGI-ZYNADVRWSA-N 428.445 0.569 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3[nH]nc4ccncc34)CC2)CC1 1838049249 OIZHHDSGNPMUKM-UHFFFAOYSA-N 425.445 0.658 30 20 ICED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C 1838149928 LMRMQZHOQMOMDN-DHNIJCFSSA-N 446.552 0.753 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838416181 PCRGPZFIKDMKBD-LSDHHAIUSA-N 449.577 0.912 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185969 UCKQONXHUMWVEZ-NRFANRHFSA-N 435.452 0.315 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839225730 RZSMMSQXGMLCEZ-AOMKIAJQSA-N 447.536 0.780 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839627867 BVBOUSYLNCUBDU-FXAWDEMLSA-N 433.534 0.982 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1840719379 KBJITNOKSPVUGK-IBGZPJMESA-N 426.347 0.262 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802741 BWXGSRDIZHVYPF-IFXJQAMLSA-N 431.555 0.676 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840844347 QEVHKALNBNYZSF-NWVWQQAFSA-N 437.496 0.766 30 20 ICED CCN(C(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1CCS(=O)(=O)C1 18588006 YRYXONREANISEE-HUUCEWRRSA-N 437.518 0.763 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1=S 36823864 JETKPDFCSFPNSX-GASCZTMLSA-N 430.600 0.838 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(-c2cccc(F)c2)c1C 428756203 CVAZCEAYLYNFAG-QGZVFWFLSA-N 438.463 0.686 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)Cc1ccon1 429316542 JAGSOWAIUXEVLX-UHFFFAOYSA-N 434.522 0.739 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 430368082 DOGUDIRXEIJOSU-RTBURBONSA-N 435.546 0.758 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 433878151 FYVKMUDMBCCTFY-ZUZCIYMTSA-N 427.280 0.977 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@@H](C)O1 435435120 AGRPAJWHVNEHBT-BETUJISGSA-N 434.565 0.280 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc2n(C)c1=O 436463670 ZWIDTOYPRKLXOK-ROUUACIJSA-N 446.467 0.869 30 20 ICED C=CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CC1 442399345 CETQINBPANMHMG-UHFFFAOYSA-N 436.534 0.889 30 20 ICED CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc21 465422769 OWLQVIFEXLSMLB-AWEZNQCLSA-N 433.472 0.933 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 467229299 KURHOSKYVCNGDJ-QKVFXAPYSA-N 436.428 0.407 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 467604739 HWVUDSCVDWWXCJ-ATWWHYTPSA-N 435.531 0.291 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480110882 QZHJLUBKUBJCOC-CVEARBPZSA-N 435.550 0.284 30 20 ICED COC(=O)C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 494982234 WUSZXWAZXSPHOP-OAHLLOKOSA-N 443.460 0.719 30 20 ICED C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 499490829 FXHLQSNKWNFRBP-PBHICJAKSA-N 428.536 0.688 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1=O 499996911 OCSFKLSBJTWFOA-MRXNPFEDSA-N 425.489 0.079 30 20 ICED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 502214657 XOXBHLXYZFXLEB-UHFFFAOYSA-N 448.526 0.661 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1 505153364 SUQUMTSBJBWQFP-KRWDZBQOSA-N 441.469 0.456 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 509249169 QFCVUPNJHKJPQV-NVXWUHKLSA-N 426.514 0.912 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 510489781 KYJRKKOSSRRACI-OOKSDGMUSA-N 440.552 0.652 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 510797575 NMVMFWIPACCMGO-ZACQAIPSSA-N 439.607 0.907 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1F 523465910 SVWLFSUYLVROSK-UHFFFAOYSA-N 439.451 0.611 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476845 RPAQAAWXJCDQGC-UHFFFAOYSA-N 428.470 0.636 30 20 ICED Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OCC(=O)N(C)C)c1 526096610 JBKXPTMRQHFXPJ-UHFFFAOYSA-N 441.492 0.669 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)c1C 534929733 FMVLCLKPFCWODG-UHFFFAOYSA-N 431.456 0.978 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 539752088 RXFZHGZEMSKCPK-KRWDZBQOSA-N 428.493 0.971 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 553151750 OPKFRHNSVOAMLO-FQEVSTJZSA-N 440.548 0.266 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 563749712 QHOGAIWUCMABQG-OAHLLOKOSA-N 438.554 0.830 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 575788754 QJJQWXYBLCFXQV-LZWOXQAQSA-N 425.507 0.476 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)CC2)c1 577881764 SZVHRKSXWHIDHI-QGZVFWFLSA-N 436.447 0.663 30 20 ICED CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 580795740 LROZHOCIKRHISD-ZWKOTPCHSA-N 447.486 0.963 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCn1cnc(C#N)n1 588020284 TUYMWOGPVSEBMQ-KRWDZBQOSA-N 434.478 0.040 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 603704542 XEHTUVYDAZKIHG-JTQLQIEISA-N 449.330 0.671 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 606028732 OYWJKHVRVKTPKF-UHFFFAOYSA-N 444.492 0.128 30 20 ICED Cc1ccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1S(=O)(=O)NCC#N 609833370 XQEGNQLXDIOMJH-UHFFFAOYSA-N 440.478 0.513 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 619506630 HVPBEUGQMXQEBE-CQSZACIVSA-N 433.896 0.542 30 20 ICED CN1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 737264382 ZYLQCRWTDCPCPK-PTGBLXJZSA-N 435.550 0.896 30 20 ICED C#CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 747808617 NVHQJUDDHFRNIW-UHFFFAOYSA-N 436.490 0.582 30 20 ICED CN(C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1)S(C)(=O)=O 758779452 VSCJVFPGCFMTHD-HIFRSBDPSA-N 429.543 0.811 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 759505413 TUDNVWFLRUCGTI-MRXNPFEDSA-N 439.476 0.384 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)CC1 761031098 NJKRCEJPUSDSMP-UHFFFAOYSA-N 440.547 0.047 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Br)c2)CC1 766936231 FNOYRPVNYOOIGJ-OAHLLOKOSA-N 430.324 0.748 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)cn1 772318971 XDGOZPSIOODIMA-UHFFFAOYSA-N 434.543 0.370 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)c1 774448934 CMBANWWEBSSIGB-TYIKUYDASA-N 438.506 0.706 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3cnccc3c2)c1=O 782790371 AYJYHSHTBSPSEU-OAHLLOKOSA-N 432.505 0.745 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 799288161 WPDQPSHBPCWSQB-INMHGKMJSA-N 437.518 0.314 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c(Cl)c1 804061129 WLAFGZKYWUIGRM-SJORKVTESA-N 431.924 0.840 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 811473812 MUPVATJXPKCTSI-UHFFFAOYSA-N 442.544 0.401 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 901416409 YVQNOFKMOOHUNO-CQSZACIVSA-N 448.501 0.902 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@@H]1CCOC1 1116377669 MGYLMWDKSXZYND-HNNXBMFYSA-N 443.500 0.899 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F 1191256027 OOSRBYNATSBBFC-HNNXBMFYSA-N 432.495 0.968 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1303803330 MAAMFZYLZOVTNP-HOTGVXAUSA-N 441.602 0.862 30 20 ICED CC(C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1359638022 JLZXNIGGGQOIAF-KSSFIOAISA-N 425.559 0.791 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1503709382 SKWGGCJHRPFXAB-MRXNPFEDSA-N 439.520 0.884 30 20 ICED CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515295359 NPQJIPOXTVQABP-UHFFFAOYSA-N 432.492 0.807 30 20 ICED CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1545204685 UFSATKGHYOFAIN-VFNWGFHPSA-N 441.540 0.954 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1706078649 YWUDCDGVPMKAOS-STQMWFEESA-N 425.540 0.712 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1769845391 MTWLWGBTHJASDM-MRXNPFEDSA-N 434.522 0.999 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206877 GOGTYVJTLPIXQT-XUERSVHISA-N 445.516 0.855 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1779270048 XSFNRAXWZUNVNH-DRSNIGMVSA-N 432.521 0.821 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780022352 REWCEUPHMUDXRE-QFIPXVFZSA-N 425.489 0.968 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1781269312 KIPNGDCISCTTMI-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311867 PUWFAVJKKITELW-KPOBHBOGSA-N 443.566 0.818 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CN1 1781778339 RDBJXHFTPCQBGP-YTOZUOPGSA-N 436.509 0.165 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)cc1 1783443749 FBBVVYYLJCSSQD-TUFLPTIASA-N 438.528 0.997 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567621 UIWSGFJDVAPQKR-OPAMFIHVSA-N 449.504 0.551 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783911137 VWLUWEFKKZNIHU-PKTZIBPZSA-N 449.548 0.992 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784486534 DWKOIRGMEOCPJW-XSLAGTTESA-N 437.537 0.919 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784778967 HNGAVCKQIXTCEA-JTSKRJEESA-N 436.553 0.847 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786859223 YBSWBDXTDKTKHP-NLHOOOQLSA-N 449.552 0.777 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c1 1786891542 YRLXNMWUIQDHHP-WNHJNPCNSA-N 427.505 0.053 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21)C(=O)O 1786897703 PJJRASZICNCYTE-KANFNMMFSA-N 428.489 0.523 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788777602 DZVBSLZTELAQDF-VMXMFDLUSA-N 442.516 0.611 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1789890657 ZTEPFMCWSVPJRU-DUPRYPCISA-N 430.505 0.571 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790566884 RGXWXWJLQWZWSB-LEUOFYLZSA-N 432.521 0.668 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C[C@@H]21 1790788795 CKKIEMPGIZUZJO-FVCZOJIISA-N 425.485 0.661 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)c(O)c1)C2 1793346627 XNNBKQZXTGIJGI-PJKMLTEKSA-N 429.473 0.592 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CN)c1ccccc1 1795676025 YPSKHQDULKDRDQ-JTJHWIPRSA-N 429.517 0.828 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796619137 CWIHNDZMJHILEG-OPMZPASUSA-N 426.517 0.925 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CC1 1797233715 BWOPWLJUTRJVKG-BBIADKPPSA-N 444.963 0.529 30 20 ICED 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1 442080737 OLMPWARSSMDPHC-IRXDYDNUSA-N 436.534 0.982 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465414253 GGHZRJZTISRNEO-AWEZNQCLSA-N 425.449 0.444 30 20 ICED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472250291 NQZRMVFXAOXTBC-HNNXBMFYSA-N 428.584 0.310 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 474285661 WHZJIZDJQSBRFD-CQSZACIVSA-N 448.505 0.099 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 480187816 CJGXMIHJXLDCJR-HIFRSBDPSA-N 428.536 0.155 30 20 ICED Cc1nc(Cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)no1 486337526 CDWWAQWGSRXYSK-UHFFFAOYSA-N 442.461 0.036 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 501984901 PJHZYRIXUQYCRK-ZDUSSCGKSA-N 435.474 0.652 30 20 ICED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508465988 RUUIEWYCCXZXSI-UHFFFAOYSA-N 429.506 0.976 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2-n2cncn2)C1=O 509192078 PMVFQKPDNMVARE-UHFFFAOYSA-N 433.222 0.945 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 512274958 FMNNTKFHFANRAL-WBVHZDCISA-N 436.534 0.882 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(C(N)=O)cc1 517393947 XLNOQBOTBSBEMG-UHFFFAOYSA-N 440.431 0.525 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 527342919 CXOJTSVPQLCAAY-UHFFFAOYSA-N 447.439 0.783 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCOC1 541083026 SHGCVNIKQYTGNH-GFCCVEGCSA-N 448.526 0.945 30 20 ICED COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1NS(C)(=O)=O 558471079 RZPBURRMUIEXDJ-UHFFFAOYSA-N 438.487 0.855 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 562068109 IELLZHYSOHAYNZ-UHFFFAOYSA-N 427.552 0.769 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)n2)cc1 568453252 JZWMILYDTGDZHY-UHFFFAOYSA-N 447.411 1.466 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 578166046 WGSAKMLZZHCADC-PMACEKPBSA-N 431.489 0.865 30 20 ICED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 580263295 HLAXKYJYFUSDJB-UHFFFAOYSA-N 446.489 1.132 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492451 CGZLVDBNGIAMKO-UHFFFAOYSA-N 446.460 0.951 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(=O)N(C)C 618639166 CBHHBWQWHMTNFC-UHFFFAOYSA-N 449.536 0.574 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 684535953 ZMFMOSPDSJEWET-MRXNPFEDSA-N 437.521 0.771 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 725771164 HWIJJRPDDLXFLQ-UHFFFAOYSA-N 426.473 0.447 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 728534494 NHNIZNJSWWFXRG-FHWLQOOXSA-N 428.533 0.246 30 20 ICED CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1[N+](=O)[O-] 729540251 ZMNKXCUTUIZYDP-LLVKDONJSA-N 444.491 0.899 30 20 ICED O=[N+]([O-])c1ccc(NN=C2CCCS(=O)(=O)C2)c(S(=O)(=O)N2CCOCC2)c1 731923621 VNDZAKLBDNQOBK-UHFFFAOYSA-N 432.480 0.592 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)cc1 732909644 CWAROGJAJJLHAO-QZTJIDSGSA-N 431.514 0.813 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 735477935 XXSAORLBBVORDX-OAHLLOKOSA-N 430.490 0.161 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 735593809 JYHQLUIAAPEUFQ-DLBZAZTESA-N 436.534 0.411 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCC[C@H]2S(C)(=O)=O)CC1 741459636 DOKUHNHSZXSUGN-OAHLLOKOSA-N 429.568 0.773 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cnn(CC#N)c2)c1OC 747438643 JUHQBRSEIHFRNP-UHFFFAOYSA-N 435.462 0.697 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625707 DJORDYOZMMFOTQ-AWEZNQCLSA-N 438.506 0.141 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 767677928 HAYSGXYDJAECDE-UONOGXRCSA-N 445.501 0.996 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 767880675 JKVXEEGZNMPVQX-UHFFFAOYSA-N 441.444 0.146 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 780277587 FOHPQJDHWNHFMZ-XLNRJJMWSA-N 449.533 0.517 30 20 ICED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 786569850 GHPLJOHAHXGXLB-CQSZACIVSA-N 435.408 0.863 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)n1 789788246 PUBDESCQAIYKOP-UHFFFAOYSA-N 438.488 0.968 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 793414899 YPHKUPGWVLCCFL-BGYRXZFFSA-N 449.511 0.472 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCCO[C@H](C)C#N)c1OC 801828036 UAFMWOBJCDUMKV-CYBMUJFWSA-N 428.463 0.810 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1C 804945173 STNISQJMJCCHJL-UHFFFAOYSA-N 431.474 0.548 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)C1 807109241 DJBXTHCSWDXCHX-QLFBSQMISA-N 429.543 0.811 30 20 ICED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 808034043 BZYCTJGXFRKGFL-GDBMZVCRSA-N 445.524 0.232 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 808236826 PJYSZQLNTGWXCP-GOSISDBHSA-N 441.488 0.466 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CCC(=O)N2CCOCC2)cc1Br 809124505 ILNSEHSCLAOJRZ-UHFFFAOYSA-N 448.270 0.904 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1C#N 809501449 JREYKXZYWKBRGI-UHFFFAOYSA-N 440.460 0.262 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccc(Cl)cc1 810474021 RHPNLIMOIOHKFK-OAHLLOKOSA-N 435.889 0.976 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 811498615 ZVSAXZOEZJTERO-UHFFFAOYSA-N 435.527 0.610 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 913055118 HKXQMSPSLNZKJH-INIZCTEOSA-N 434.518 0.355 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(OC)cc2)c1=O 916198510 MUGGHMQUMUOTCE-UHFFFAOYSA-N 439.493 0.977 30 20 ICED CC(=O)NCc1ccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 917847893 TUCICXINNQZVAV-UHFFFAOYSA-N 435.483 0.849 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 918803979 DOKRMGOHDCPOAO-VVFCZOMOSA-N 439.534 0.883 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1288652351 PRFAXHTUSQTLOW-NVXWUHKLSA-N 439.586 0.691 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1299303827 XHDODMYRDYTRIS-CQSZACIVSA-N 431.522 0.423 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CCCS2(=O)=O)c1 1316529890 RIXIFMXTRZIKNJ-UHFFFAOYSA-N 443.533 0.554 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CC1 1318220047 CXBXQWBHAIZXGP-GOSISDBHSA-N 441.531 0.859 30 20 ICED C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCC(F)(F)F 1318476503 XXAKKBHRGDNIPT-MFKMUULPSA-N 425.367 0.946 30 20 ICED CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(S(C)(=O)=O)CC1 1319280090 FLQRFNHQHYRJIL-UHFFFAOYSA-N 428.536 0.375 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3(C#N)CCOCC3)cc2)CC1 1472339071 QGMYJEQEFGAOHK-UHFFFAOYSA-N 434.518 0.590 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1477724256 PAPKOULOTGHXKH-UHFFFAOYSA-N 448.593 0.399 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1519165055 MTLZZWPBSHPBHZ-HNNXBMFYSA-N 440.570 0.709 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1554441775 JCDTXBGPMZWQRR-NVXWUHKLSA-N 444.517 0.203 30 20 ICED CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1617568586 QYXBXHRJSXGPCK-INIZCTEOSA-N 429.525 0.778 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)N2CCOCC2)CCCCC1 1653699494 KPRFUNHBKGFEMI-UHFFFAOYSA-N 448.545 0.793 30 20 ICED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N 1663820135 ORHLCIICGTXRFZ-OAHLLOKOSA-N 432.495 0.968 30 20 ICED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1692723539 LPEYDWOXWCOMPD-QGZVFWFLSA-N 441.536 0.974 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N(C)C 1706620431 ZNBVIMCXMIAKLA-UHFFFAOYSA-N 442.499 0.842 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCO1 1748211778 OPGRHDDIQLZTHU-CQSZACIVSA-N 433.419 0.149 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779104876 OZGGDIKGOAFUEE-MXZSFLGVSA-N 442.476 0.930 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1779105123 IJBDSFYCQXTDPQ-MLVQKYMTSA-N 433.465 0.214 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cncn1 1782198097 LCTPCFLKRIBESC-SZNDQCEHSA-N 434.460 0.731 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728471 XLULOPMUSGEYFH-HXOBKFHXSA-N 426.517 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783441726 OMFJBXGFTXOYGS-NYYZSYSESA-N 431.489 0.018 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1784031301 MELNTHFBJJPSRK-FKBYEOEOSA-N 446.592 0.899 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784441842 SSFBKWUNBWQVTC-VGWMRTNUSA-N 433.596 0.213 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1 1786368520 HXWPELHRBWMCKD-WDSOQIARSA-N 433.530 0.916 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)cc1 1786694495 HXMGXIRAODKFJY-WDSOQIARSA-N 445.541 0.916 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653208 XZGSCCLGJBLMOP-IZXYBCOWSA-N 425.526 0.902 30 20 ICED 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](O)C1 1792451683 PWRPODQDOKMLDU-WXQHOCMDSA-N 436.509 0.108 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793220932 MJONTJKUTZIXIR-PNBKFKSVSA-N 445.582 0.826 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795186196 SPLNZAIZFUSFGZ-SFNKJDCFSA-N 438.569 0.997 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c1 1795469471 IIGHEKRWXVGSLW-HATOLVCRSA-N 442.516 0.492 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccco2)no1 1796125399 GAOFHKYNIYPCDG-VQICEPBWSA-N 440.456 0.996 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797059152 RTDSHYYPEJXBHB-JLVBRIDZSA-N 425.493 0.214 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797780220 DCJZYAWEKBOCTP-GGXPGOJBSA-N 431.493 0.376 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1800430783 AWROYTRQGBIBRX-XEMDLRDOSA-N 445.541 0.916 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)c1ccc(O)cc1 1801055989 YHLNIHPZXFIYIK-QSNWEANLSA-N 448.541 0.523 30 20 ICED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804185089 BPWQSSNZQCMSSD-AUSIDOKSSA-N 445.479 0.691 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347734 IURMQIPQRCKDOA-FMKPAKJESA-N 435.431 0.897 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(n2)NC(=O)CC3)[C@@H]1c1cccnc1 1807945022 LHBOBEJQARDGPZ-KKSFZXQISA-N 447.451 0.769 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948256 AYMODTMNXGTVBH-JCKWVBRZSA-N 436.476 0.739 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811791213 PGJFEURDLBHVNA-NSHGMRRFSA-N 446.467 0.871 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811793829 OVDMGCMOINLSGP-FUDKSRODSA-N 449.511 0.923 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1812669355 XWNJWSINBPKRER-PBHICJAKSA-N 435.431 0.851 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1813334636 AXOXDLLPIVQUSE-XKCSPQBFSA-N 448.527 0.971 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2)C(=O)O 1815079951 BLVHESQICGRTJL-ZIFZXTHCSA-N 433.490 0.830 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819706073 JUZXPDQCTFELEC-ZWNOBZJWSA-N 435.506 0.180 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(c2)CCNCC3)n[nH]1 1821701910 IOSTUUWDQCDADC-SFHVURJKSA-N 436.472 0.887 30 20 ICED C[C@H](CN)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1828948437 JNCCNAIFMQBWKH-VGOFRKELSA-N 427.505 0.947 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1829907629 MOUDTBWPOBDDMY-AUSIDOKSSA-N 440.500 0.083 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1830061544 KGCCCSOSJJRGGV-OAQYLSRUSA-N 435.521 0.926 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1830464663 REAKCCJTNYHLPL-IKJKNFHUSA-N 439.512 0.840 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1831386866 KMHZIZVFHSGGAY-XMSQKQJNSA-N 433.505 0.719 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831391287 MFSRSEWIWCYWKZ-VFNWGFHPSA-N 435.452 0.338 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831411573 YLOMQWZTSZBEBR-AVRDEDQJSA-N 447.536 0.716 30 20 ICED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832314687 XAOUEPJDTQIDAT-ZISMNVMJSA-N 441.525 0.787 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833096974 PTNGOHHASZXAAL-IBGZPJMESA-N 428.537 0.986 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187294 LINXLRMZRPEQMQ-DZQSVEARSA-N 443.548 0.942 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1833882869 FHTPBHRPBKDUNZ-FQEVSTJZSA-N 428.424 0.210 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccno5)CCO4)C3)c2c1 1834154343 HNNMGFNYFAGWOS-OAQYLSRUSA-N 436.428 0.806 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834311505 MHAMNJXBJIPXDH-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cn1)CCO2 1834371491 BVXMNOOLLJVLRL-ICTHTSFCSA-N 428.489 0.318 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834764844 FMNTZWHOIQMOGY-LJQANCHMSA-N 439.465 0.213 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192597 OQJCOSSXZGWZRN-VQHJOYQZSA-N 439.509 0.398 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351150 MRHIPGRAULKTNZ-OAQYLSRUSA-N 436.530 0.665 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377424 WFVTZSYKTRRQQA-WWOVWOHCSA-N 435.569 0.400 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835708160 GEUKYNYYWFAWLQ-INIZCTEOSA-N 432.569 0.959 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835817552 GKJAQXMFJQQTBC-QMHWCDLVSA-N 446.548 0.986 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837431298 GQTXEKSCELNEKS-GCJKJVERSA-N 449.624 0.630 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490451 FJPFOJHVBGROFW-AUSIDOKSSA-N 436.549 0.955 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837561317 HCVPPXUTGJPSLJ-FFCJBUTOSA-N 428.445 0.569 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837646377 WKDBPSVNJHNTDC-UNAUUNTCSA-N 444.492 0.083 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838310257 BBCNHGKOQMDCIF-KUHUBIRLSA-N 441.916 0.944 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)cc1 1838951309 KBXMQLBOYXUUAQ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1839362741 LUVUTYBJXNHAQT-OAQYLSRUSA-N 426.429 0.830 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419500 DVHZPWBQFQHPBR-SZNDQCEHSA-N 432.452 0.279 30 20 ICED COc1ccc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c2c1 1840042834 QEMIEIMGKBUHCX-QFIPXVFZSA-N 441.440 0.335 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273130 BYZXAKMBAKTRJH-RWWKDMOOSA-N 436.553 0.276 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)CC2=O)c1 1841009826 NQIAKPXXYSSVQN-HNNXBMFYSA-N 425.441 0.340 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014427 GOUUZNWRYZAYEE-UHFFFAOYSA-N 428.514 0.458 30 20 ICED N#Cc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 61929895 ZCSKHQJGPNRMDP-UHFFFAOYSA-N 428.470 0.834 30 20 ICED COc1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1NS(C)(=O)=O 438755079 QVTZXFJIPPOJHZ-UHFFFAOYSA-N 425.511 0.699 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 443465923 HYOZNXXTVQQKRN-OAHLLOKOSA-N 445.542 0.078 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460394002 LIPGDLSTXCOXPR-HUUCEWRRSA-N 445.553 0.841 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460724826 JBIGEUICEKTKHF-UHFFFAOYSA-N 438.492 0.090 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)ccc21 471037413 JWAIUJYMILIMOR-UHFFFAOYSA-N 437.460 0.477 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 477661534 LXDSGWIGTLAGJU-CYBMUJFWSA-N 442.453 0.754 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 480531823 VQOZHVIRZFWZHM-CYBMUJFWSA-N 436.515 0.913 30 20 ICED CN1CCN(S(=O)(=O)N2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 485738323 NPJYEXUVFZDFND-HXUWFJFHSA-N 446.577 0.163 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 487996711 BZWSUWLIFYKAPE-GOSISDBHSA-N 429.564 0.704 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 488603562 SPGBJZIMDXPZSM-GOSISDBHSA-N 445.435 0.640 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1F 489014946 SCCXSRVYWQBPHJ-MRXNPFEDSA-N 445.538 0.597 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 507396752 FGQNVLWVLDOOEY-INIZCTEOSA-N 425.449 0.173 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)n1 508327602 UUNWEZWNPVBTFS-UHFFFAOYSA-N 426.462 0.351 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 508922643 RNNMDWBTPQPJNM-OAHLLOKOSA-N 433.538 0.766 30 20 ICED CN(CC(=O)NCCc1nnnn1-c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 511993309 GKVWOMFDRWTITR-UHFFFAOYSA-N 425.474 0.513 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 512791054 XQCRCNCWANRAIM-UHFFFAOYSA-N 437.481 0.801 30 20 ICED CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 514527290 WNXWBUXMHCUJDO-IBGZPJMESA-N 433.490 0.112 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OCC(N)=O 515943285 FVEAVXZNKGCUKB-UHFFFAOYSA-N 438.444 0.113 30 20 ICED COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 520438692 NVIBOZOJICWHPZ-UHFFFAOYSA-N 435.550 0.685 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2)c1=O 538931852 KHELGRUJJJQMMR-UHFFFAOYSA-N 445.483 0.726 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)c1=O 540032713 YEWWBZRAYFAPGE-UHFFFAOYSA-N 432.444 0.125 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 566877324 HFNHQCRUYYNPGQ-ULQDDVLXSA-N 427.509 0.554 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)c(Cl)c1 580801849 AJHOZDVOIHWYJE-UHFFFAOYSA-N 431.924 0.841 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC)c3F)c2=O)cn1 619695654 ARAITBQHJUASCR-UHFFFAOYSA-N 427.461 0.512 30 20 ICED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1 733162816 XHSYGIOJUQEJFM-UHFFFAOYSA-N 444.351 0.765 30 20 ICED CCCCNC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831080 PBFXXVYQTOJLAK-HNNXBMFYSA-N 429.433 0.932 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2c(c1)OCO2 735224302 AFZCUIQYKDQWMV-CQSZACIVSA-N 442.457 0.912 30 20 ICED N#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 748320271 AGXCECKOMYAUTK-RDJZCZTQSA-N 446.529 0.975 30 20 ICED NC(=O)[C@H]1CCCN1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748546506 KURLNGWSZYGDNZ-MRXNPFEDSA-N 433.534 0.056 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C 755550466 WALJWYRDENHLKN-CABCVRRESA-N 434.497 0.960 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCOC(C)C)C1=O 758054764 NQSZHTZRXWUPNU-BAOKRACBSA-N 442.563 0.695 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C#N)s2)c1=O 758061230 ZSDYQEHFEZFNDH-UHFFFAOYSA-N 426.523 0.522 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CCO2)c1 762010347 HPRSQDJCMVXFHN-SFHVURJKSA-N 434.456 0.428 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(Cc3ccon3)c2=O)cn1 765146096 SLBJEUDXIGEIHN-UHFFFAOYSA-N 432.465 0.821 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)cn1 772310559 APDXJWNUKCBJMN-UHFFFAOYSA-N 439.472 0.698 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCCO3)c2=O)cn1 794646346 HGKKBRLCRXCLEH-DLBZAZTESA-N 442.541 0.711 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)NC)CC2)C1=O 803282493 LRFWSTMRUIYSIZ-GOSISDBHSA-N 431.559 0.865 30 20 ICED Cc1nc(Cn2nnc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2C)no1 803561230 SUJNOIRWUJNTDD-UHFFFAOYSA-N 444.477 0.784 30 20 ICED Cn1ccnc1[C@](O)(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 810192776 QYWUPXZFMANEHH-MRXNPFEDSA-N 445.423 0.526 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)o1 913173568 IMEXLMZLLCWGIE-LBPRGKRZSA-N 433.442 0.880 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 915092841 NCMRQYCNELQTAG-UHFFFAOYSA-N 435.527 0.448 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)o1 915387291 DVCZREHTQIKJGK-UHFFFAOYSA-N 436.432 0.644 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ncn3nccc3c2=O)c1 1116049984 DDRGKOHVHNJEOM-JWGURIENSA-N 429.462 0.343 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 1141383444 PYZKZLWGTDPPFN-VQCLRJIVSA-N 427.548 0.945 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1301830936 ATNIAYLBJNMQSM-AVRDEDQJSA-N 440.504 0.985 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1303641670 SJHDQRJJZSCPRB-RVKKMQEKSA-N 426.543 0.918 30 20 ICED COCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1318487971 YTNONLDWXVRWEP-DLBZAZTESA-N 448.501 0.425 30 20 ICED C[C@@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1494595761 ZGTBLKRIEFYNMM-HZPDHXFCSA-N 426.481 0.375 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1510176930 HXNVSXRWMROUCC-HZPDHXFCSA-N 439.586 0.739 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1521062763 IZJMOYNVCWZHGE-DNVCBOLYSA-N 432.481 0.769 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1COCCO1 1541674433 ZRKHSQVCIIDAQL-QGZVFWFLSA-N 440.508 0.425 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1618827963 WPGGMPBUQPWGAX-QVKFZJNVSA-N 425.493 0.818 30 20 ICED N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)CC1 1620357063 QSMQBEQJSADSCK-UHFFFAOYSA-N 435.554 0.680 30 20 ICED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1628651180 OPHDPFONFUNIOY-LPHOPBHVSA-N 432.546 0.184 30 20 ICED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 1635595089 QBDACENORRJWOO-HNNXBMFYSA-N 428.514 0.979 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](CO)C1 1637732422 MCECTJPASJVTDV-CYBMUJFWSA-N 438.506 0.165 30 20 ICED CC(C)(C)OC(=O)N1CC(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)C1 1655082609 MQXRZPSZGNXUFO-UHFFFAOYSA-N 435.550 0.964 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705747549 OVOJJCSWZKQAIE-TZMCWYRMSA-N 429.934 0.952 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1761543381 OXAZFBFQYSHJOS-HXUWFJFHSA-N 425.497 0.797 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccc2c1OCCO2 1777934038 AEVHVLQFOCOYAO-WZONZLPQSA-N 442.468 0.982 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1778998830 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C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448277 ZBTORHDDAIFJES-GCJKJVERSA-N 434.489 0.741 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1)C(F)(F)F 1839892036 OTOOXORBIGLBCM-GOSISDBHSA-N 444.410 0.575 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1840044734 ULBMGWRAQFWODM-WMZHIEFXSA-N 426.469 0.336 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccn1 1840162075 LIGRRDNRHZCEFT-XOBRGWDASA-N 437.518 0.647 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840168507 QWHUWMQFNOKMQY-QHCPKHFHSA-N 425.485 0.804 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=C)CN1C(=O)OC(C)(C)C)CCO2 1840251406 BGHBDEFFCAYTTE-JTSKRJEESA-N 433.505 0.642 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1840716694 PZVNJUROWHISHO-KSFYIVLOSA-N 428.489 0.649 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840819573 UFTWDLIJGHQGCC-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691958 XUGAEJGAIZKDME-JYJNAYRXSA-N 434.493 0.557 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 7189333 OVAMIJMEPIIVSQ-CQSZACIVSA-N 425.507 0.621 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCO1 409504320 VCBWRPHLVGWVET-ZIAGYGMSSA-N 432.424 0.865 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 428807637 CRDDDWJRYXSUBX-HNNXBMFYSA-N 426.477 0.388 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)c(C(N)=O)c1C 433676515 WZCKBEIOABAFOZ-UHFFFAOYSA-N 433.472 0.302 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 441712430 GMKWMIYHWPVQCK-IYBDPMFKSA-N 449.533 0.303 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477264115 DRFFHRZRUWALMF-UHFFFAOYSA-N 432.433 0.339 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)cn1C 481073074 OQFUYJOMJKOLKC-UHFFFAOYSA-N 427.483 0.435 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc4c3CCO4)CC2)cc1 483665452 AFTXMJQGUCDWSI-UHFFFAOYSA-N 440.481 0.965 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 484957065 YSQHQARJISDBNY-UHFFFAOYSA-N 445.497 0.623 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486479809 DQEGOSXGVXFCRE-IBGZPJMESA-N 440.504 0.039 30 20 ICED C[C@]1(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)NC(=O)NC1=O 488257913 CSHQWPOGMFYUMU-VGOFRKELSA-N 438.488 0.679 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2=O)cc1 488634067 SSIYFCQJLUJNLY-GOSISDBHSA-N 435.440 0.278 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 497478011 WANLQHSWOFUMNU-MOPGFXCFSA-N 447.561 0.270 30 20 ICED C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@H]1N1CCN(C)CC1 497478822 ZORLZOCZPCPOEZ-FXAWDEMLSA-N 433.578 0.977 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 505184940 QOEGOTWMQSHWFJ-LJQANCHMSA-N 449.467 0.933 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507495835 DDKGDSOZOWAQHG-UHFFFAOYSA-N 425.492 0.643 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1 524281485 ZTXGXVZHKAXFIO-UHFFFAOYSA-N 442.566 0.679 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)n(CCC#N)n1 534266673 CJVDHPFCOXBYKF-UHFFFAOYSA-N 430.490 0.852 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1C 534910340 SKPGIRDTXXWNLE-UHFFFAOYSA-N 430.490 0.451 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 559782820 AWHKGYSDTHMCAA-OAHLLOKOSA-N 448.520 0.336 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 559986847 PBFJYIYRJVVWQD-QGZVFWFLSA-N 448.439 0.623 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cc2ccccc2n(C)c1=O 572138792 RNGFGSASCNYXNV-UHFFFAOYSA-N 441.451 1.554 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 573150389 KQUHDJBIBADRNH-QGZVFWFLSA-N 438.467 1.033 30 20 ICED CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 578670965 LZOBKOMPQNPRPA-XJKSGUPXSA-N 440.460 0.919 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)c1C#N 589438483 BVEKWJLTVTWXRP-UHFFFAOYSA-N 426.506 1.434 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 611643090 HKUJPMHNNJHACJ-HFAKWTLXSA-N 434.301 0.868 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 729008568 GAGUPNLXFUMBGB-UHFFFAOYSA-N 431.445 0.892 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 729267729 FLKMQIQDOYHUGK-UHFFFAOYSA-N 435.955 0.980 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3ccccn3)c2=O)cn1 732562602 GGZHJPCAQQTNFA-UHFFFAOYSA-N 448.552 0.889 30 20 ICED O=C(COC(=O)Cn1ncn2nccc2c1=O)NCC#Cc1cccc(C(F)(F)F)c1 732863467 HQROMCIOHWRPOH-UHFFFAOYSA-N 433.346 0.621 30 20 ICED Cn1cc(C(=O)C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 748429471 IRCBTCXNMXUPKI-UHFFFAOYSA-N 438.400 0.614 30 20 ICED COCCCNC(=O)CN(C)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 749584264 GULCMUFZGJEWHE-INIZCTEOSA-N 438.550 0.751 30 20 ICED N#C[C@@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 756953722 KPXGABLZUALMPP-CYBMUJFWSA-N 444.307 0.835 30 20 ICED Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 757588380 BCZPORKQVTWKBT-OCCSQVGLSA-N 442.476 0.430 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758058933 OJUWDVNZFWOCNP-LLVKDONJSA-N 435.427 0.614 30 20 ICED COc1ccc(Br)c(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 762060927 VAGMCZPQRVSSKJ-CYBMUJFWSA-N 429.292 0.966 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(F)cc3s2)c1=O 763006524 GVMBHXXDFBVTPG-UHFFFAOYSA-N 449.514 0.234 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 777460921 ROTJSZHIPTZSNW-CQSZACIVSA-N 446.501 0.924 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)cc1 781104382 SWIWMRXMGXMGDP-QGZVFWFLSA-N 445.545 0.727 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1N1CCOCC1 782905854 PYDBPTNGQJXMCN-UHFFFAOYSA-N 429.521 0.845 30 20 ICED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787758241 IILODVMHSIZORF-OAHLLOKOSA-N 432.481 0.233 30 20 ICED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789619495 XTGKOBHRHLGZIK-UAHGDZPKSA-N 437.522 0.421 30 20 ICED C#C[C@H](NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C(C)C 799046009 ARCVDBBIAUWGGH-SFHVURJKSA-N 437.500 0.828 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCCO[C@@H](C)C#N)c1OC 801828037 UAFMWOBJCDUMKV-ZDUSSCGKSA-N 428.463 0.810 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)c1C#N 803663888 CVUWXRGROCINRK-UHFFFAOYSA-N 427.484 0.770 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCN2CCOCC2)c1 805974476 SJJXHSHMZUCKDE-OAHLLOKOSA-N 425.507 0.145 30 20 ICED CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 807361017 GXQXQBWNIQWNCU-JCMHNJIXSA-N 438.506 0.896 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1)C(C)(C)C 807534764 MEKPGSAYNUUACN-HNNXBMFYSA-N 428.532 0.608 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)n1 807834700 NWQKHVPJDDDJOA-INIZCTEOSA-N 433.509 0.474 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812279173 NKOLPWPAGQCPDL-UHFFFAOYSA-N 443.525 0.769 30 20 ICED CN(C)S(=O)(=O)CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 812392347 YSHYZGCGTXXJLD-UHFFFAOYSA-N 430.552 0.293 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 815860594 SGNWTYXQCKVCMD-UHFFFAOYSA-N 430.324 0.862 30 20 ICED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918268581 FTCWJLTVSAFKQH-SFHVURJKSA-N 436.472 0.802 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286531408 YTJSFODLTYITBP-LBPRGKRZSA-N 449.375 0.843 30 20 ICED C[C@@H](C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)n1cnc(C#N)n1 1454162721 QJDJPBBIUUHVRK-SFHVURJKSA-N 436.520 0.793 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C[C@@H](C)O1 1462807795 UDMBEXACBPYPIU-HZPDHXFCSA-N 442.563 0.413 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1541946466 WFGZCQOGUNRUAH-SOUVJXGZSA-N 437.526 0.513 30 20 ICED CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1545204686 UFSATKGHYOFAIN-YCRPNKLZSA-N 441.540 0.954 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1618821677 SWPJIKSHODLNCJ-GQIGUUNPSA-N 436.534 0.773 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212965 RUCMFARYNXUQEU-XPTSAGLGSA-N 426.545 0.876 30 20 ICED CC(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1691523350 VILVSGGOELFFHR-CABCVRRESA-N 441.558 0.122 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCS1(=O)=O 1709142231 UXZJEDPDERIPTQ-HNNXBMFYSA-N 445.553 0.253 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778788140 UTLADDXHLMWSGM-RXVVDRJESA-N 448.451 0.134 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779233620 WCSVRCZCRLXCOA-VGOFRKELSA-N 432.521 0.708 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1780726565 WNHLNUUKRCJFAA-GKIWIXTESA-N 438.488 0.697 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2c(C)n[nH]c2C)C1 1780824662 ROEJIAOQBJSNPQ-TWEUYWRPSA-N 443.548 0.941 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1)C(=O)O 1781103131 DDKINMOGASYRTO-NJNPRVFISA-N 446.479 0.888 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c(OC)c1F 1781951460 LIWJGWYOTDKDKG-FQEVSTJZSA-N 438.383 0.514 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782563593 OGIFJBBQHROPOK-HTAPYJJXSA-N 446.552 0.963 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635541 ROMNVBHTJLYKMP-XOWGOQOESA-N 430.509 0.416 30 20 ICED C#CC(=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 1783477935 CEOZHRFGQIASSW-TXTZMMAHSA-N 435.521 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C)nc3OC)C[C@@H]21 1783531080 BKIBPQSMLQPHOD-SMDJPQOOSA-N 442.516 0.850 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558757 YBMZDOMBJFFPOR-FDDCHVKYSA-N 441.484 0.503 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784012873 DUUJZYJWZHOBHO-AXHZCLLHSA-N 439.512 0.855 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1784484526 DNHRNWISVHPKIB-XWSJACJDSA-N 444.532 0.305 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c(C#N)c1 1784597318 KQGXOCNWXOMKCS-VFNWGFHPSA-N 439.476 0.187 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(F)(F)F)[C@H]2C1 1786005165 SJFCATGQHCUZJA-WHOFXGATSA-N 425.363 0.782 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1788631083 IOQWALISBQXQBQ-XWSJACJDSA-N 431.533 0.191 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789508496 XPTSNFCSXHRXKV-QZHFEQFPSA-N 448.545 0.479 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789797222 DMPNEFAKRHNERG-MNAPGUCWSA-N 439.560 0.787 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)cc1 1790579766 QKEKRICEXPNPOU-UFYCRDLUSA-N 435.484 0.337 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791260182 JWBZOXXSTJHGBM-CWVYHPPDSA-N 445.582 0.560 30 20 ICED C#CCCC(=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 1792173734 GRWDDVZHYJIOMA-FKSLSLAPSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1Cl)C2 1792484591 PQTRAIVTUWBMGK-DUGXABPWSA-N 432.908 0.726 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)c(Cl)c1 1797810051 NDIBTGDRQRHUMY-POXQLVPFSA-N 448.907 0.065 30 20 ICED CCOC(=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 1798496101 RUBGHITUNLQSFV-AVDYGHLPSA-N 426.470 0.218 30 20 ICED 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 1799195820 CZDFNDHGBWGYBV-IATJYDTKSA-N 443.566 0.122 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2 1799302055 VWTIJTILQQTTSF-JWWGGVBKSA-N 446.500 0.828 30 20 ICED CC(C)(C)OC(=O)NCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773433 CZLSQZZCOYVEES-CCWDJLKJSA-N 437.493 0.359 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(O)c1 1801121676 QZMJCTQJGGYBSV-ROAZTASUSA-N 427.501 0.773 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804126704 AKZQPAXSQUBMPR-OWLYRPNTSA-N 448.545 0.903 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)ccn2C)[C@H]1c1cccnc1 1811357525 DKYMKWORJYXELP-NBBDWSPISA-N 449.511 0.958 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2NC(=O)C3=O)[C@@H]1c1cccnc1 1812881622 XKFNTMCMPZWSCP-JLTOFOAXSA-N 446.419 0.624 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@H]1c1cccnc1 1813472752 GAOXCKJMPIXOLH-SZVBFZGTSA-N 441.492 0.845 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817250919 WPLCTHBMHSHCLI-ZFWWWQNUSA-N 434.497 0.504 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393186 JEMDIRQAZPQVAM-OHHQFBAHSA-N 429.529 0.713 30 20 ICED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)n1cnnn1 1819781316 QLVFQCYFFHAURM-CAVOBDPNSA-N 431.526 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554518 ZDNIDMZCJBNECR-NWDGAFQWSA-N 431.474 0.668 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC(=O)NC)CCN2C(=O)OCc1ccccc1 1828579602 KZOGFMFBMDOVGA-QFIPXVFZSA-N 426.473 0.208 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1829896708 WJHBEXJWVMLIMF-FYYLOGMGSA-N 439.468 0.884 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1831386660 ICXYGTOIKOJBEH-LAUBAEHRSA-N 433.530 0.668 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1831438404 QDLNSPRGCAYLSI-HMFYCAOWSA-N 433.505 0.896 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1832008258 KBCDSUYFZPPAOR-DRSNIGMVSA-N 433.505 0.726 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832819637 LLHMPTBZCFTNKM-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1833478528 XYBJEISKQRZWKZ-HNNXBMFYSA-N 444.536 0.352 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1835352013 JREAPXWZLRAZEN-VGSWGCGISA-N 429.473 0.977 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(O)c1OC 1835361138 BBYAWQAUASQKIM-NRFANRHFSA-N 433.461 0.783 30 20 ICED Cc1nc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835677275 DTBKPOIUZPMJAD-OAQYLSRUSA-N 433.509 0.643 30 20 ICED Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)sc2nccnc12 1835873932 KHKPYISUQCKMAU-OAQYLSRUSA-N 441.513 0.757 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)N1CCN(C)CC1 1836371329 PJCRFAARFLSKBO-LJQANCHMSA-N 429.609 0.607 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836378182 QQQSNNUEYMWZFK-GOSISDBHSA-N 426.395 0.979 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c(F)cccc34)CCO2)C1 1837055682 MZYLTLWMFAJVIV-QRQCRPRQSA-N 444.463 0.810 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837533701 ZUQCNUVVZGVBBW-DWBVNXOXSA-N 449.508 0.328 30 20 ICED NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403634 BRFOHZSFNJTDBE-VQYZLWMVSA-N 438.525 0.780 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839223034 JPBRUSVQRZUECS-HRAATJIYSA-N 449.508 0.258 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CCO2 1839804169 HLUFOTAWIRDBFH-YQTDCCHMSA-N 444.484 0.815 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1839894870 VXQFJRRTSKSHQP-CZUORRHYSA-N 440.440 0.139 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840161549 SZZCWXRIWGXKPP-YCRPNKLZSA-N 448.545 0.115 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1c(Br)cnn1C)C2 1841054502 IBWWYHYWUACOEV-WAYWQWQTSA-N 436.310 0.858 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 409520848 MHKNTTHXXDCFLP-IBGZPJMESA-N 426.539 0.765 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1=O 410308785 YLUFDODZPXVHKU-INIZCTEOSA-N 448.568 0.895 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)CC1 442298272 WPZXUGWWZZBXJV-UHFFFAOYSA-N 443.548 0.788 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 460952682 PTYMSPJGTXAXDA-HUUCEWRRSA-N 448.615 0.572 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465488530 GTDCRJMNTFPPRI-CYBMUJFWSA-N 436.519 0.156 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1 467548289 LZMOPEIJJJFKAP-CYBMUJFWSA-N 429.498 0.415 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 482176798 LRXNKTUJCZKXTJ-KRWDZBQOSA-N 447.561 0.382 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl 500837165 AJJWSCPCEADMRL-OAHLLOKOSA-N 440.909 0.803 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCCC(=O)OC 501771545 UEIZYZRXBZLKOF-UHFFFAOYSA-N 429.473 0.807 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508509006 YRZMTCWJFXAJCQ-MSOLQXFVSA-N 444.561 0.715 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2n[nH]c(CCCNC)c2C#N)c1 516555395 SGQGADFIDRHGLF-UHFFFAOYSA-N 449.537 0.264 30 20 ICED C=CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 517304052 BNXWUUPJXOFLSC-UHFFFAOYSA-N 434.562 0.920 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1C#N 521444206 SDNVPUCOMMSVKO-SFHVURJKSA-N 435.532 0.892 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2OC)c1=O 522284418 IDJSEXFIVQMKDC-UHFFFAOYSA-N 443.525 0.745 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 525263459 RZJBDHDMLBCQSY-UHFFFAOYSA-N 444.538 0.489 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 553243135 IIRLJJGIYCKVIO-SFHVURJKSA-N 435.488 0.852 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)nc1 557473940 GEISHZKTCKVSJZ-OALUTQOASA-N 427.505 0.646 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 558778230 OBCOODGALATVIG-JKSUJKDBSA-N 448.615 0.351 30 20 ICED CC(C)OC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 572753891 AATSGPSTRWINJI-RTBURBONSA-N 428.489 0.822 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)COCC3=O)c2)c1 582637388 FWYLFVIGHLYGBF-UHFFFAOYSA-N 428.426 0.365 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 584370890 JKYVJTSWGVYRRX-UHFFFAOYSA-N 433.515 0.383 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)nc1 585725832 UOWJIFZCHAJJTR-UHFFFAOYSA-N 441.513 0.628 30 20 ICED CCN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)CS(=O)(=O)CC 587659540 RLDAQAVKJDHFMK-OAHLLOKOSA-N 435.550 0.710 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 604434633 BHQNXWCDOIRQFV-UHFFFAOYSA-N 445.407 0.203 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 730103850 HVQIIDHDKFAUHG-INIZCTEOSA-N 436.490 0.534 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 732468987 SPWVERFYOMCKDW-UHFFFAOYSA-N 431.924 0.972 30 20 ICED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(c2ccccc2O)CC1 741344749 RKVQOJQBMQOBNU-WGLILOHCSA-N 442.472 0.889 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 747741330 DIQZDWWWTHRBOY-UHFFFAOYSA-N 449.529 0.504 30 20 ICED CC[C@](C)(CC(=O)OC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756086441 HJRMOYGITNKFSD-HXUWFJFHSA-N 436.534 0.713 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCCCC1 760403767 MKTUMHKKCAJMAR-UHFFFAOYSA-N 427.504 0.479 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc(C)cc2C(=O)OCC)CC1 761033647 YRESJRFWGBDNPP-UHFFFAOYSA-N 428.536 0.257 30 20 ICED O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 767343326 IDFQXXDPNHRJHW-VHEBQXMUSA-N 425.397 0.702 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc[nH]n1 772268475 UUYIXJJMWLSTNA-CYBMUJFWSA-N 428.449 0.188 30 20 ICED C[C@@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 772984973 PVWXIFIXWQGKKH-MVZUJROASA-N 434.518 0.885 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 786082988 MMUNXEJBEPRDGG-UHFFFAOYSA-N 449.515 0.701 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 793414725 YDUVVSVRVITTEY-UHFFFAOYSA-N 435.550 0.718 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(F)c(OC)c3)CC2)c1=O 802743265 IXQFFEPRWJRBDN-UHFFFAOYSA-N 431.468 0.471 30 20 ICED COc1cccc(C[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)n2nnnc2C)c1 813983035 FGGYTBLKSWELEQ-KRWDZBQOSA-N 427.446 0.546 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 815782858 APJWLMNPUNCQGA-UHFFFAOYSA-N 431.470 0.822 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 912524345 PYOZDRZSYBLKGB-XSFVSMFZSA-N 441.491 0.810 30 20 ICED N#CCn1c(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2ccccc2c1=O 917109804 OXXWNTILEBOFBV-UHFFFAOYSA-N 438.513 0.890 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCN(c3cnccn3)CC2)cc1 919319180 VIODNPXLKPYGKV-UHFFFAOYSA-N 443.485 0.155 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 919417154 NHHHNFBNBSSZNQ-OAHLLOKOSA-N 432.458 0.984 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(OCC(N)=O)CC2)cc1 1116153528 LGVPNDRRJAHHEZ-PYCFMQQDSA-N 437.522 0.998 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1300831072 QUNHZCJSOCQQNQ-WCQYABFASA-N 449.375 0.902 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)C(=O)OCc1ccccc1 1320411100 XYLCGXAWDLIXRI-KRWDZBQOSA-N 445.497 0.726 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN(C(N)=O)C3)nnc12 1327869431 UPGNDRHZEIUJQH-ZDUSSCGKSA-N 441.517 0.839 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1C 1492274018 SAATWJCJKZAXFG-GCJKJVERSA-N 439.520 0.943 30 20 ICED CS(=O)(=O)CCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505130453 IUMCUSFTKDMFMJ-GOSISDBHSA-N 429.550 0.875 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCSC1 1541922423 ITIXXBAXNDZQQF-CXAGYDPISA-N 428.584 0.886 30 20 ICED CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1614407676 MLIASLMGMJJGEF-BZUAXINKSA-N 442.542 0.155 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cn1 1651414225 IMALMSCCJAMBFE-FPOVZHCZSA-N 437.475 0.945 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1696501547 HPXUHAFZAFSTJY-GOSISDBHSA-N 445.549 0.277 30 20 ICED CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1698298146 KWKXKDZWXVHZJA-FQEVSTJZSA-N 431.518 0.982 30 20 ICED CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1745788283 UFDAPPNXZJZLBL-AWEZNQCLSA-N 431.522 0.915 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1778971367 LDPIXRZHGGBRDS-ZHRRBRCNSA-N 443.504 0.348 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779073217 IJQLPYNDHFFCOJ-FDAJGNHISA-N 449.460 0.023 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cn2[nH]cnc(=O)c12 1780020279 MZHGIAUBBYRHJY-NRFANRHFSA-N 435.444 0.288 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780046609 HOXGLJULLDHIGG-KSFYIVLOSA-N 439.472 0.922 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(C#N)c1 1781171033 ICBSVVPRCAAOCM-IVZQSRNASA-N 428.489 0.451 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCc5nc(N)n[nH]5)CCO4)C3)c2c1 1782194913 KYWKJMBVKVMEBW-OAQYLSRUSA-N 449.475 0.211 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)c1 1782750030 CSHBMJQFCOTKSM-OYHNWAKOSA-N 442.472 0.300 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nccn34)C[C@@H]21 1783530527 AVROUIRDICUUGY-SAWCTPMISA-N 437.500 0.786 30 20 ICED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783901748 WYPHJQBWFLUBOL-FXAWDEMLSA-N 448.582 0.221 30 20 ICED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1784261750 IOTUTHFGAQPDBS-FQEVSTJZSA-N 426.433 0.234 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349663 JICMSHBHSAZCPX-QHCPKHFHSA-N 448.564 0.782 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1785443606 OHVWWWFUQBNWOR-JVLSYQRKSA-N 438.525 0.650 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785575169 ZHEQBLKHJBUNNF-KKSFZXQISA-N 446.508 0.025 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)c2ccccc21 1786695615 ALBLBJZXHDENFE-BXWFABGCSA-N 437.500 0.623 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c1 1788556223 CDSFHCVUEITTJT-OWQGQXMQSA-N 425.445 0.036 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652310 BRKZRSZHAJWTTO-DOVXAFDCSA-N 438.525 0.410 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788657630 FLOPHQGAAHOLRB-LIWHVUMVSA-N 427.498 0.158 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)ccc1F 1789906675 SFUVITQXQIDVPG-IEZWGBDMSA-N 426.452 0.511 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C[C@@H]21 1791076751 HSPXCYGWJMMWMA-RCJHGTSTSA-N 427.457 0.317 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)CC2=O)c1 1792428653 HGCUFIBXHSPTFK-HWEQFAERSA-N 447.557 0.956 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CS(C)(=O)=O)c1 1793370204 DHCVIEVQUWVNDO-UEILYKACSA-N 449.529 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccncc1 1793948447 SKEAPUKCGWVGHD-KOVVAMBWSA-N 430.530 0.622 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)c1ccc(O)cc1 1795855366 GMNWTTZRYXMIRU-CROMWVBPSA-N 437.500 0.771 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c1 1798579855 XRXWMDCBJOQIAH-CCWDJLKJSA-N 433.486 0.588 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](N)c2ccccn2)C3)c(C#N)c1 1799237716 ZQYACPBPGRYITI-AAUAJYIVSA-N 449.511 0.794 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1799303508 CWJAYNRNFOBHOU-HGKCTWBKSA-N 434.493 0.242 30 20 ICED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)nn1C 1799883310 XJTSSILZVPWWPI-VPTLXERWSA-N 447.499 0.922 30 20 ICED O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800179477 RGEGUNMKPDIHFV-WMHHYVDGSA-N 447.492 0.233 30 20 ICED C=CC[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 1800778635 KKZAVHKYYKJOJZ-UIVXKWKOSA-N 449.504 0.524 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800807911 CPHGZUHUWVKKFW-OYNZLANYSA-N 435.521 0.360 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801912558 MAGAIZRUZKEXOZ-GEALJGNFSA-N 427.501 0.630 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(OC3CCOCC3)n1)C2 1801988484 FHAOKYINFOWULX-MUJYYYPQSA-N 427.457 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1802499817 UKZQIWKDGNCKNE-GFCSNGQLSA-N 448.545 0.381 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803914043 VUAJVCHJOQXACN-NRJQMVOHSA-N 440.500 0.994 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)CCC1 1811192738 HJXPDLIACIROGU-YJBOKZPZSA-N 433.472 0.984 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1812620802 MHKWXXQMEWSDTH-IVMIDTGUSA-N 431.493 0.753 30 20 ICED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cnccn3)sc2C1 1820025689 FIWGFVYJDXRXMU-DCAQKATOSA-N 434.547 0.982 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CCC4)sc3C2)CC1 1828012690 DJKIRIUVZRSNGA-HNNXBMFYSA-N 444.561 0.913 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)cc1 1829902103 HJIJNZJPUWWGTK-UPVQGACJSA-N 449.511 0.652 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831222872 JTRSSQJVHQPIHS-DEOSSOPVSA-N 439.512 0.595 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832046965 PKSMOPZNNLJXSU-IIBYNOLFSA-N 436.509 0.756 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832535313 WWTQZGZWNUEJPP-HSZRJFAPSA-N 441.484 0.705 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833438953 LDBXWCHBKTXXIF-NRFANRHFSA-N 436.509 0.482 30 20 ICED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833664124 IWTWXPQPPPZDOH-JOCHJYFZSA-N 438.488 0.731 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833689369 NVAMHCYFMMROAG-LJQANCHMSA-N 447.580 0.739 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1F 1833738455 ARVJBKCBDWDMNI-JLTOFOAXSA-N 439.488 0.982 30 20 ICED CS(=O)(=O)c1cncc(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)c1 1833941874 INDFWRHUAWHOIT-UHFFFAOYSA-N 447.561 0.974 30 20 ICED C[C@H](Nc1ccccn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835851102 OOAXYLLHCCPXFC-INIZCTEOSA-N 427.505 0.542 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394599 RKVUDWJFLLRNLK-OPAMFIHVSA-N 443.504 0.372 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836966956 NWZAVNDISASTFV-FQEVSTJZSA-N 436.534 0.655 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837441993 KQSGVRFFJUPOHV-GWJNGDFSSA-N 431.493 0.329 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCCN1 1837531561 PNCUCZVRCYFVFV-QIBDIVDDSA-N 438.525 0.114 30 20 ICED O=C1CCCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565649 XQVAQZYMAVZBMC-YVABFXQFSA-N 446.504 0.167 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)c1 1838536825 ZJSXCKYFMSYCKK-UHFFFAOYSA-N 443.504 0.847 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccccc1=O 1838737958 HIXJISGMUVNTET-AOMKIAJQSA-N 439.472 0.379 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)c1ccc(F)cc1 1839038037 LVHZFMJDCGVQOX-PZJWPPBQSA-N 432.452 0.373 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839450144 YXUFENAWIVXVRQ-HXUWFJFHSA-N 431.449 0.644 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)c4n[nH]cc4c3)CCO2)C1 1839509935 MXDVMCQGAIPBTH-UZUQRXQVSA-N 440.500 0.980 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(O)n1 1839862593 MLPDPXKSYBJZIH-QFIPXVFZSA-N 446.504 0.241 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839906022 GTTZNDRTSOTMCH-YLNCNTMDSA-N 443.500 0.250 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956147 HGDYPUXAGIUSPR-UGKGYDQZSA-N 434.558 0.966 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840324495 TZTAQXZLTNRBKT-OAQYLSRUSA-N 432.525 0.081 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384277 VTXDKZADKBLMIN-QFIPXVFZSA-N 448.520 0.629 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(=O)O 1840838104 NOKVUZPSLFOZSI-DAKPFUFHSA-N 434.489 0.172 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)[C@@H]1SC(=N)NC1=O 1844282525 ACJCLIUQOZZDSW-ZBFHGGJFSA-N 432.546 0.691 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847344527 PULSTHZNSAAAGR-JYJNAYRXSA-N 435.525 0.376 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1848329717 ROHQTYCHORCGRI-IRXDYDNUSA-N 435.502 0.810 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 107523377 VAZXVODTIPPSST-UHFFFAOYSA-N 439.881 0.842 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 410154169 LOISZKYQVUWLBF-INIZCTEOSA-N 448.542 0.675 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)OCC(=O)N2 429842615 HCBMDKVZLLOGFK-LBPRGKRZSA-N 444.473 0.587 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 430916708 BCMIVQVTIISYJY-AWEZNQCLSA-N 425.449 0.164 30 20 ICED CC(C)OC[C@@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433170126 UNMLFRCJORHWLL-GOSISDBHSA-N 438.550 0.109 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 437043657 GDVSXVIIIFKCBP-CXAGYDPISA-N 425.507 0.981 30 20 ICED CNC(=O)Cn1cnc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 439545223 SYUKSXFNGNUYTM-UHFFFAOYSA-N 447.455 1.360 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 462447176 VECGHZGIRLZAFJ-GJZGRUSLSA-N 428.536 0.219 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468721958 FGYRPOJWMVIAEL-UHFFFAOYSA-N 433.490 0.119 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c1 469123914 WAMLETAKNDOSEI-UHFFFAOYSA-N 431.474 0.334 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 477006765 BABVZQDZRZOUNN-GOSISDBHSA-N 435.550 0.878 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)CC2)c1C#N 506410163 ZGNOVMMXNBCITP-KRWDZBQOSA-N 438.536 0.700 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 506865558 FTXCVGNHXFVONG-CYBMUJFWSA-N 435.506 0.506 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508955306 FLKPJICEHFBUCQ-IYBDPMFKSA-N 435.554 0.935 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)C1=O 508978401 IKPPLTZTLNJZER-UHFFFAOYSA-N 434.474 0.777 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514002028 RDHHGDUJKUQBOW-FOIQADDNSA-N 431.518 0.713 30 20 ICED N#CCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 514411099 BKFIHQFQNDADBQ-UHFFFAOYSA-N 437.522 0.969 30 20 ICED N#Cc1cccc(CNC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 521149312 OKIQNOHDBKWGGU-UHFFFAOYSA-N 427.486 0.407 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOCC 522283659 CEKIGJHCXAUCJC-UHFFFAOYSA-N 428.470 0.660 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 527338886 NLDLBTNZVXNYPY-UHFFFAOYSA-N 433.494 0.144 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)s1 532164875 AWUNFZCDWSTNIA-UHFFFAOYSA-N 443.481 0.990 30 20 ICED CC(C)N(CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549409576 USYLCLXBRHTXSP-UHFFFAOYSA-N 438.550 0.110 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)CC1 553330265 CJQAGIDJTMYFFB-UHFFFAOYSA-N 438.532 0.746 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 578871330 KMRKPTCQXXDOBV-UHFFFAOYSA-N 438.492 0.184 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1C 608855454 LFUOZOXBCHHCFT-UHFFFAOYSA-N 440.525 0.785 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 613103398 CXKRWEGBMUGSMD-BBRMVZONSA-N 447.459 0.430 30 20 ICED N#CCn1c(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 729765895 HPGKNANMAVJSTG-KRWDZBQOSA-N 444.513 0.653 30 20 ICED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908497 NDGLNBDFJRGHMN-MRXNPFEDSA-N 441.531 0.295 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cc[nH]n1 772351848 BQOHEYUMYCPYAV-ZDUSSCGKSA-N 426.437 0.092 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(N)=O)c(Cl)n3)CC2)cc1 773757023 IGEDBUDUMMKNQP-UHFFFAOYSA-N 433.877 0.852 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 777216475 ADFZQXYBCLGEOJ-HZPDHXFCSA-N 425.507 0.442 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCNC(=O)c2cc[nH]n2)c1 780880850 WYOYSIRLEDVFJX-LFVJCYFKSA-N 433.494 0.774 30 20 ICED COC[C@](C)(CNC(=O)[C@H](O)c1ccc(C#N)cc1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 780943062 HMYSQAXEGABSLP-QTEQDKRBSA-N 436.468 0.834 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCN2CCNC(=O)C2)C1=O 781104511 WOTMYDVHGWBQLA-KRWDZBQOSA-N 447.561 0.973 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782678187 ZGXBBAOUKWELGZ-UHFFFAOYSA-N 431.430 0.588 30 20 ICED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785282767 DETIJZKBWMJLLP-IZHPTAPOSA-N 435.550 0.989 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)n1 789793960 UJUPRACQHFWXMX-UHFFFAOYSA-N 433.490 0.884 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)cc1 793738147 RSLRTXIXYRDKFM-FQEVSTJZSA-N 436.516 0.980 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794579395 WPXMPPWOZOZGSY-AWEZNQCLSA-N 427.482 0.709 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794638474 FQEXSUJPQFGNGG-DOTOQJQBSA-N 442.541 0.661 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794642223 KDPXBSVDUKNRQA-NVXWUHKLSA-N 440.525 0.742 30 20 ICED CCCCCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 799762001 KJUHGNVLKZHLCS-OAHLLOKOSA-N 430.614 0.421 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 914564811 DZUWKBHHUIKPCA-RHSMWYFYSA-N 429.546 0.488 30 20 ICED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 914819165 LWGPNVMFRXZNTR-HNNXBMFYSA-N 426.477 0.773 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 919757328 LKVBTPAGWRXBOS-AWEZNQCLSA-N 435.527 0.997 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(C)CC2)C1 1117736777 ANFCBFWHDXUTMR-GOSISDBHSA-N 433.578 0.598 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1301407806 QITFBVVCEYJXHS-KNQAVFIVSA-N 442.520 0.647 30 20 ICED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1322426966 FYEYYRNSLDTKNO-UHFFFAOYSA-N 431.518 0.937 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1505121973 QHADSHFUTKPCNS-FXAWDEMLSA-N 431.518 0.982 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1518918993 TUAVPPPWIROVCJ-PXNSSMCTSA-N 447.517 0.218 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1519505710 SMHOHUHXJZJNTK-CZUORRHYSA-N 445.542 0.589 30 20 ICED N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc1 1540615924 SSAPSHHWSSYOON-UHFFFAOYSA-N 442.501 0.332 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1554507080 IKXHMVCRCAJPNT-ROUUACIJSA-N 446.533 0.781 30 20 ICED C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCO1 1612996345 ZOOIOHVCLATBMY-QZTJIDSGSA-N 431.541 0.630 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1711274038 MQAYALIROVACCA-XLIONFOSSA-N 430.534 0.507 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1743198545 OUERRPXUYLRISF-OAHLLOKOSA-N 435.492 0.658 30 20 ICED CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746432073 KQJJKFHBCNJSJU-UTKZUKDTSA-N 432.548 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779017308 LIJZCYJSZHQENR-ZZAWEDPDSA-N 443.504 0.768 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1779065515 VWYOFNROOWZDLY-HHEUTOACSA-N 430.549 0.987 30 20 ICED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccccc1=O 1779263155 BEHPFDFBVZQVKU-VGSWGCGISA-N 429.521 0.521 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781655279 YFZWLOVHAJEQTQ-KYFSNAEOSA-N 442.578 0.651 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781757838 KJHHSVTVPQHOCU-DXLWNWQMSA-N 444.488 0.758 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1782151358 IMGOLFOWLMHKLP-KPZWWZAWSA-N 430.523 0.991 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)c1 1782732438 SWEJMPZVWGCXOI-QHCPKHFHSA-N 434.500 0.727 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]4OCC[C@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1783536923 KCPRDJJNDWRIQF-PMECCGAFSA-N 447.532 0.864 30 20 ICED CN(C)[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1783565510 MCDBLBHRWFDQOC-CTNGQTDRSA-N 433.892 0.861 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)C1 1783888406 JDIDFKLYDGVWII-OYHNWAKOSA-N 447.557 0.915 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1 1783890053 NYCJMUDPMDUSSY-HNAYVOBHSA-N 426.560 0.917 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CC)[C@H]2C1 1783965086 FLNCDLUXTMJFLA-TXTZMMAHSA-N 437.537 0.654 30 20 ICED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785216593 BUKOIVAWNHLXQY-YDYKYGGSSA-N 447.496 0.243 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788612634 RJQXJEHAFPZTMK-ULQDDVLXSA-N 426.583 0.433 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888943 ALYRTGGOZBHFSH-OQUILHJVSA-N 433.465 0.569 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790522988 QTIAECYIFGKERU-IGGJEDBVSA-N 443.548 0.350 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C[C@@H]21 1791073094 LQYWEBRDBJNYHF-XGOKJXSNSA-N 426.469 0.350 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc(OC)c1C 1791079506 PCWKWMFHAVHTJS-QOKNQOGYSA-N 430.457 0.694 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ccc(OC)nc13)C2 1793345670 ZFQRHSHAZJMOCT-ZTENYAIWSA-N 426.473 0.813 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)c(C(F)(F)F)n1 1796028315 MYUOFMKAGUAWKU-DDFAGTSDSA-N 435.366 0.607 30 20 ICED 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CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1F 1833738457 ARVJBKCBDWDMNI-VLIAUNLRSA-N 439.488 0.982 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834239671 XWEABOWECKSZCJ-QFIPXVFZSA-N 449.471 0.552 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835311911 CCUZVICZJQGONA-HFXUHXBXSA-N 440.500 0.662 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)C2)CC1 1835344789 UVKFSJRCQZGJCS-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835364765 DBRVLRIKFDVQRG-WMZHIEFXSA-N 430.501 0.698 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836129887 DFXLQSBMVUFKAR-LJQANCHMSA-N 441.431 0.677 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836178606 SYCSVSOCXROTSA-HSZRJFAPSA-N 443.548 0.752 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836199816 FHLYRWSJUNABBE-NRFANRHFSA-N 434.493 0.157 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836843946 BYMFNCTVHGHBJN-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837306282 ZALMGURAFQMGFZ-NZQKXSOJSA-N 435.565 0.934 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837375144 HVPZETQKRNPWHS-BEFAXECRSA-N 428.555 0.070 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837398994 LIMDTVASWPDQPT-FOIQADDNSA-N 438.912 0.773 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526880 HCOHRIWOFBHDNK-CFFCXZSUSA-N 427.498 0.133 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837562773 PIYNJVKVGFCFIK-HEXBWUFUSA-N 441.484 0.889 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837598448 AXMGXGGADRPRIC-XXBNENTESA-N 436.549 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C)c1)CCO2 1837934944 UKMSAXCPPJLERW-QATSOJGNSA-N 428.489 0.318 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838215618 GTXIOWWMHNAUJL-JCFVMIBISA-N 447.492 0.384 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c([N+](=O)[O-])cc1O 1838602210 UDFBKBDEVSNZNV-FQEVSTJZSA-N 448.432 0.683 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CCCN1 1839122887 KBTCHHWXPHWYRJ-PKTZIBPZSA-N 426.517 0.965 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839222815 BOJMSJPPCJHXPU-KBRIMQKVSA-N 439.431 0.557 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)c1 1839226797 DJBXIJMPRIMZPO-KKSFZXQISA-N 434.493 0.961 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652000 XNDBHQOCEVTJIN-LJQANCHMSA-N 440.447 0.783 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)[S@](=O)c1ccccc1 1839672417 JUNXCGFJYYRMGE-PMDYLXHRSA-N 433.530 0.943 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)C2)C1 1839810908 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1844225174 SWOKLDSJSXOCPL-CQSZACIVSA-N 433.509 0.925 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845439257 VSRKJIXIWOXDBX-HNNXBMFYSA-N 425.482 0.542 30 20 ICED Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCO[C@@H](C#N)C4)CC3)n2)cc1 409545777 ALFJAKPHGIQJBT-KRWDZBQOSA-N 432.506 0.632 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCOC)[C@H]2CCOC2)cc1 427907189 VHTHEHVBGNSNAZ-INIZCTEOSA-N 425.507 0.696 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 428681199 FQLIXIIGUVNAPV-AAEUAGOBSA-N 432.424 0.752 30 20 ICED COC(=O)[C@@H](O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 438207789 ANAFZOVBOBHPSY-IBGZPJMESA-N 449.529 0.731 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(COC)n1 442475306 GMGOFFAUUPQOEN-OAHLLOKOSA-N 445.432 0.651 30 20 ICED CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446530359 IDMKKEXNMIOUHX-UHFFFAOYSA-N 442.925 0.756 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1C#N 472291708 AUCUBEUKUWENTG-OAHLLOKOSA-N 441.517 0.487 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 473844341 SGJJPENJPNBKKZ-SFHVURJKSA-N 430.472 0.836 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1Cc1ccon1 480923953 FLYYKKOYLUPFER-UHFFFAOYSA-N 444.900 0.865 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCC(F)F)nnc12 482912731 AUXMTRFFVWPRBK-UHFFFAOYSA-N 436.444 0.820 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 484090657 DTOXBRWXYRYPRD-ZDUSSCGKSA-N 438.444 0.819 30 20 ICED CN1CCN(S(=O)(=O)N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 485738320 NPJYEXUVFZDFND-FQEVSTJZSA-N 446.577 0.163 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)cc1 499567055 XXJUILUGERHDKT-INIZCTEOSA-N 438.506 0.779 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 500063337 ZGFFQZHSUQCQTE-UHFFFAOYSA-N 442.563 0.364 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 501429190 MSXSSNYGFALRTR-DLBZAZTESA-N 440.500 0.801 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 517506536 KHPMYDVKLHWKMI-OALUTQOASA-N 448.545 0.327 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520905199 HAGKSAJAOCXPMA-UHFFFAOYSA-N 442.563 0.403 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1C 534928905 VJHQEVMWOXLRHO-GOSISDBHSA-N 446.471 0.955 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCCO2)c1=O 535329039 HSBZCWVFHXTQEI-MRXNPFEDSA-N 427.530 0.477 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 540015569 NVFDUPIIHPWTCX-FXAWDEMLSA-N 434.518 0.912 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 541580375 GMPLOCJPWSWECT-CQSZACIVSA-N 448.505 0.208 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 555909307 RSOOFIUDKAPSGF-UHFFFAOYSA-N 438.444 0.894 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1-n1cnnn1 566040714 WPNDDJDAIRGIDU-UHFFFAOYSA-N 437.489 0.895 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)nc1 575336024 XUONPGBEEKKBOG-UHFFFAOYSA-N 436.472 0.616 30 20 ICED COCCn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 576570407 DPHUTUWJVJVBNK-KRWDZBQOSA-N 428.468 0.942 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 580251970 VEEOEFNEACVZHU-KRWDZBQOSA-N 448.483 0.532 30 20 ICED Cc1nsc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)c1C#N 582813584 FMLRTDITOJXBFH-UHFFFAOYSA-N 428.518 0.626 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](c3cc[nH]n3)C2)CC1 603860429 JNZAHFPGACGUIE-SFHVURJKSA-N 442.545 0.994 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 606070797 KRYALTSNNQIQLM-UHFFFAOYSA-N 442.520 0.699 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 610421239 HCDVIQVKROQFFL-HNNXBMFYSA-N 449.464 0.205 30 20 ICED CC1(C)Cc2cc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)ccc2O1 729673075 SHVHDPDYXLQARQ-UHFFFAOYSA-N 429.523 0.695 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2cnccn2)c1 737237237 KCSFAYLPTBAFPR-KOEQRZSOSA-N 445.505 0.456 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 737251350 HQGKTPYGSMCTST-UHFFFAOYSA-N 445.476 0.701 30 20 ICED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 747404135 GXBIRIWGBLKCTD-UHFFFAOYSA-N 426.564 0.266 30 20 ICED Cc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 748840713 AHLLIFJVXJCYOO-UHFFFAOYSA-N 447.860 0.584 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCCOC)cc2)c1=O 758058515 MAXOBINEBXCJCP-UHFFFAOYSA-N 425.510 0.596 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)[C@H](C#N)C1 758327535 WLTVQNAYSJHXRH-ZYHUDNBSSA-N 429.524 0.954 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)n1 758539809 QBAIDKVPQSXEMT-SOUVJXGZSA-N 431.497 0.974 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765842248 UQAHTVQKYUYRNZ-QBEKEKFNSA-N 426.473 0.489 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 767679870 NVGOPANPCBMHKC-LBPRGKRZSA-N 441.487 0.812 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)c1cc[nH]n1 770836195 UFGUGGXXCYPGCM-UHFFFAOYSA-N 435.462 0.872 30 20 ICED CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 774548747 OXJINRWYWVBWHB-FQEVSTJZSA-N 434.518 0.624 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(N)(=O)=O)c1 775986393 FZFBZRDWCUCOEW-HKWRFOASSA-N 431.540 0.690 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 783350446 LTZCDXJBRDPYDL-UHFFFAOYSA-N 434.562 0.874 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 783481235 VRNXKJLVYFTKGG-ZDUSSCGKSA-N 446.934 0.721 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2nnc3n2CCCCC3)n1 785929961 FJNHLMAAYZZIPR-UHFFFAOYSA-N 427.509 0.168 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)o1 793108602 ATNUTKMSCBULEX-UHFFFAOYSA-N 442.461 0.552 30 20 ICED C=CCN1CC[C@H](OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798559999 IQIHDCVCRXDYBK-KRWDZBQOSA-N 438.502 0.589 30 20 ICED C#CCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 799201558 CSGGQGILTYCYMY-UHFFFAOYSA-N 447.561 0.951 30 20 ICED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1)S(C)(=O)=O 807298582 DTQOUKRAYLJLPE-ZDUSSCGKSA-N 426.470 0.797 30 20 ICED C[C@@H]1CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 808963612 LRKCVNMVPXMCHY-OAHLLOKOSA-N 435.502 0.749 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1F 810252537 GKOAEPDWNGJVRD-CQSZACIVSA-N 430.483 0.364 30 20 ICED O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCN/C(O)=C1/N=CC=CC1=O 810382472 ONEZAQAHNJOIGP-PEZBUJJGSA-N 447.300 0.914 30 20 ICED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCN(O)C1=O 816753915 RVOAEVQVSMPFNS-RHSMWYFYSA-N 441.506 0.647 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 918289890 PICLZZVSQPXFBM-JWGURIENSA-N 435.506 0.162 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1C#N 918756984 CPEVHONZLULJKF-OAQYLSRUSA-N 439.476 0.848 30 20 ICED CC(=O)N1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1286854943 WHTCZTBQSQZVCQ-QGZVFWFLSA-N 438.492 0.913 30 20 ICED CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1302427461 KONPBSWJHSNURH-OAHLLOKOSA-N 436.538 0.487 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCN2C1=O 1319087399 YDTZXDIDBZMJAM-HZPDHXFCSA-N 438.444 0.258 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)ccc1F 1320166414 QMWXTIMXOOVKFB-UHFFFAOYSA-N 431.489 0.874 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1330338714 RCORHQFODXMJIF-QZQOTICOSA-N 438.488 0.995 30 20 ICED CN(C)CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1332402477 ZOHQPWUBZXRJFO-PKOBYXMFSA-N 432.546 0.879 30 20 ICED Cn1ncc2c(N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4)CC3)ncnc21 1337951805 LRECYKHFYWEAGS-MRXNPFEDSA-N 430.472 0.937 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502718933 UTZHZZFYEJKKJQ-DYESRHJHSA-N 431.541 0.585 30 20 ICED COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1518286963 LNPQVKHHDHQOAP-OAHLLOKOSA-N 427.465 0.590 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1615844244 QKHSWVHHXMVTRK-KURKYZTESA-N 437.614 0.802 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723951929 FNOBNIYDNFBGIF-QOKNQOGYSA-N 439.586 0.472 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728794715 LAAWOUSOQONZHN-IAGOWNOFSA-N 430.506 0.311 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1729599612 QTYDTUQAAKSHOD-FCHUYYIVSA-N 439.520 0.497 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1747665692 VMUGZXUJOFWMJN-UHFFFAOYSA-N 449.519 0.873 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103736 YCCBGNSNWWXVIC-IEYJAJKGSA-N 438.525 0.650 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779139438 TTWWNGVLMKIENL-ZJHLSYPMSA-N 426.429 0.966 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1781271631 ZGDYRADPMOTTEG-OAQYLSRUSA-N 432.477 0.454 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781398054 KMHZDKAUCVNHRT-FOIQADDNSA-N 449.464 0.387 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781430441 YPBQRNOPONCVHD-YHAFYQSGSA-N 433.509 0.928 30 20 ICED Cc1nn2cc(CC(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)nc2s1 1782011265 SKPRGWRHVNBRLO-FOIQADDNSA-N 445.501 0.244 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636251 YWJRUIPAAWGZFI-HSZRJFAPSA-N 442.516 0.643 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557058 AACYCDCSRRLCIJ-KSFYIVLOSA-N 449.504 0.694 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567760 YRPZWSHMINHSSK-ZHRRBRCNSA-N 443.456 0.219 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1784014289 ONAGBMBEWHVMKY-LTMIRXACSA-N 441.484 0.828 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1784504130 NJMKPQJKBIWUMN-CVYDXHPNSA-N 434.493 0.284 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784517450 IWCDHRYMNDIUOF-LEAZDLGRSA-N 432.542 0.699 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nn1 1789104818 KDTVTIBUHPTLKP-RXYBXQHJSA-N 430.509 0.550 30 20 ICED COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(F)c1 1791076835 MLQLJBBRIJOPJA-IEZWGBDMSA-N 432.448 0.835 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791350968 ITYRZDVNVSGYRO-HYJFEMIMSA-N 440.500 0.443 30 20 ICED 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)C#N 1792631447 LALBZYFUEUDRSR-QKPAOTATSA-N 438.525 0.665 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2 1793342701 MDFPNOZDOPCENR-KOFHJDLBSA-N 431.880 0.853 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)cc1 1794367894 YXDSNMBRAGRWLH-UPHUGPLXSA-N 449.467 0.882 30 20 ICED CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cn1 1795598526 ZIBNTSSMAMPKSJ-JLVBRIDZSA-N 430.509 0.360 30 20 ICED CCNC(=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 1797697652 JSUMSCDRPHWHQI-PQVZQDFCSA-N 448.545 0.784 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818680 YQFKNGTWWHRCQY-YRWYUPRASA-N 433.509 0.638 30 20 ICED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)c(C)n2n1 1798693600 RXVPUFCSBRICRF-CCWDJLKJSA-N 434.460 0.458 30 20 ICED 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)=O)C2 1799232263 XLKNFIKAPSANJF-MHORFTMASA-N 435.521 0.862 30 20 ICED C#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)COC)C2 1802124656 GTEMEROZCQSUAN-JCECYMMASA-N 437.537 0.775 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347738 IURMQIPQRCKDOA-IJEWVQPXSA-N 435.431 0.897 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](N)CN)[C@@H]3c3cccnc3)c2c1 1812070806 VVGMOHINVDLRNJ-RIFZZMRRSA-N 432.488 0.435 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCNC(C)=O)[C@@H]1c1cccnc1 1812654720 MBRYDOUFTDNVQH-OTVNPASYSA-N 427.505 0.472 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1813045710 GWNCRPMTJVZNIX-UGKGYDQZSA-N 446.573 0.621 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1814052197 PGLOEIGFWIATHJ-BRWVUGGUSA-N 429.477 0.846 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2)C(=O)O 1815080994 XJEXODOTXQNPKK-UWUAPECKSA-N 436.538 0.590 30 20 ICED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815248451 FTVKHIPKUDRCRA-IUODEOHRSA-N 425.511 0.899 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1 1820307737 FZMCWXWJRYFZIO-RHSMWYFYSA-N 429.437 0.980 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899654 AUTSMTPZBBJDGT-SJORKVTESA-N 434.537 0.731 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)cc1 1829902750 ZPWGMQHHJNUFIH-NRFANRHFSA-N 425.445 0.300 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830457871 GGEPBFYMCDONRB-JOCHJYFZSA-N 438.488 0.390 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831747612 FKZLYANMDYOEDW-LERHUMBHSA-N 439.494 0.137 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1832448349 VMKRCFBGNQVTHG-IBGZPJMESA-N 429.608 0.411 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)OC)CC2)CC1 1833075926 HDPCIIDOHNEKKS-PLNGDYQASA-N 434.537 0.370 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1833900873 DNXXKVHSSDKFPR-FQEVSTJZSA-N 428.449 0.324 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CNC(C)(C)C)CC2)CC1 1834696180 NJZFPTYYOBOQGA-SREVYHEPSA-N 433.597 0.805 30 20 ICED NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118614 ACAPHIUQGBSRKN-IDOMTICXSA-N 433.578 0.345 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835645233 AHGLVMNPQKRTPQ-NRFANRHFSA-N 436.553 0.816 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672387 AXJGAABDHRQEDC-OAQYLSRUSA-N 430.509 0.137 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094657 ZNHAOMVMLLZHMU-JOCHJYFZSA-N 446.504 0.409 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1C[C@H]2C[C@@H]2C1 1837284267 RXJGIOAJRAXWOY-FZONSQQESA-N 447.580 0.065 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964103 PEGNYXIOFYFIAI-UHFFFAOYSA-N 443.548 0.975 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838036777 HLOCISJUWXEZSS-QRWLVFNGSA-N 442.463 0.921 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060585 ZNDLMPAWOCVJIK-GWYVQQBTSA-N 446.504 0.610 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839227563 UBVAVUUAGPJUHZ-IERDGZPVSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839228832 QFVPJIMXCJLEOV-RYLXDESZSA-N 425.526 0.795 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361528 PWVLUVLQKITFNM-AOMKIAJQSA-N 428.489 0.334 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532469 HISBGUWLNLJIDC-NYNQOQISSA-N 441.488 0.611 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3cccc(Cl)c31)CCO2 1839743138 XWVYMMUVLFWUNI-AOMKIAJQSA-N 446.887 0.914 30 20 ICED COc1ccc(/C=C/C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840044348 UCBVYYNIIFGNRE-YXMLYAQVSA-N 446.431 0.392 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1840045088 QOSXHLSEJFDZMZ-IBGZPJMESA-N 426.347 0.262 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840158579 NWTFSBVDNKQLRE-NBCNXNJRSA-N 433.574 0.818 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840163890 RDDDYMXZJCIYQP-QRWLVFNGSA-N 431.518 0.656 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840233482 LKSSPMCMDSVHPM-ZHRRBRCNSA-N 444.463 0.294 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436609 QEHATPAXKIRZJY-XXBNENTESA-N 448.564 0.609 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716021 RBUXGFIGVDWJRA-HYFFOGBASA-N 428.489 0.518 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840900020 GOEBRECOXYDSFU-HXOBKFHXSA-N 440.500 0.565 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H]3CCCS3(=O)=O)C2)c(C#N)c1 1845914046 QMOLGAMBLYENPA-GOSISDBHSA-N 431.514 0.890 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848346058 DLYKZBGWLQKMJS-PMPSAXMXSA-N 444.488 0.818 30 20 ICED CN(CC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C#N)cc1 109053144 VSEAIHVUMYNWLP-OAHLLOKOSA-N 447.469 0.464 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)CCO1 410421299 VDFQNXBBPCGUOI-MRXNPFEDSA-N 430.486 0.774 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 426806768 DHLXBKSPPMUDQP-UHFFFAOYSA-N 431.460 0.996 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)C1=O 438676088 FTFXYZWFQJUBMK-UHFFFAOYSA-N 444.429 0.193 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)CC1 442272833 OPYNFZRATWRROJ-HNNXBMFYSA-N 438.550 0.705 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 464417942 FCLAQANUUUWCSU-UHFFFAOYSA-N 444.517 0.704 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCc3nnnn3CC3CC3)ccc21 471041180 APEFGVLDEPIZBO-UHFFFAOYSA-N 436.476 0.921 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 474344238 HTKKXBUBVIUERN-UHFFFAOYSA-N 444.582 0.728 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCc3nc(C)no3)cc2)CC1 491247884 ROHVYQMIVNATQN-UHFFFAOYSA-N 442.476 0.342 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 498189471 KAGZIKIFRZCYTQ-UHFFFAOYSA-N 436.472 0.617 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)cc1 501587608 XBTLJLPWWOZFDS-OAQYLSRUSA-N 439.560 0.820 30 20 ICED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n([C@H]2CCN(Cc3ccccc3)C2)n1 508322795 BYGUAXLGQUCLQD-SFHVURJKSA-N 447.503 0.857 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cn1 508653705 LITTYIQUMVXKRR-CQSZACIVSA-N 437.382 0.457 30 20 ICED CCCCn1c(N)c(N(CC)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(O)nc1=O 512469910 UQULVOUZLLNBJV-INIZCTEOSA-N 433.557 0.850 30 20 ICED CC(C)OC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 517995764 BQAIGHFZQDKXNK-RBUKOAKNSA-N 428.489 0.428 30 20 ICED CN(CCC#N)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 518954321 OHRKIUJZUXTCLH-SFHVURJKSA-N 433.534 0.458 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3ccccc3C)CC2)c1=O 520622641 VHAIPTYIGKOCNP-UHFFFAOYSA-N 439.516 0.197 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)s1 532165053 NWJJDSVYPCUQDO-UHFFFAOYSA-N 440.506 0.607 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CS(=O)(=O)N[C@@H](C)CC)c2)C1=O 534209484 SCUKRMZYYUEUBC-ZDUSSCGKSA-N 436.490 0.820 30 20 ICED CN1C(=O)NC2(CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)C1=O 537273909 MAMLHSFSLUEGOI-SFHVURJKSA-N 442.495 0.551 30 20 ICED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 540800038 IBZLECUVTRIIAX-UHFFFAOYSA-N 437.518 0.682 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 540980167 HNFVSFXDYXFXAS-UHFFFAOYSA-N 441.467 0.891 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)n1 541175800 FFSFSGUSUJFSBF-UHFFFAOYSA-N 436.881 0.488 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nccc2c(S(N)(=O)=O)cccc12 543102063 WZVQMTONOZCQDE-CYBMUJFWSA-N 437.485 0.895 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)C2)nc1 553240869 DLTMALBYQJYTET-CYBMUJFWSA-N 443.441 0.188 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 553669509 UTLCMFYKOOJBBE-UHFFFAOYSA-N 447.624 0.982 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 554863169 BQKSXYDIELRIHS-UHFFFAOYSA-N 428.468 0.967 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 555938537 PZRBCAPQLCVABM-GFCCVEGCSA-N 429.296 0.799 30 20 ICED CN(C)CCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 561829348 LKROQVSESOOTJQ-UHFFFAOYSA-N 431.928 1.336 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2=O)cc1 561867308 RAPDQLUYWQHUDS-FQEVSTJZSA-N 443.467 0.672 30 20 ICED C[C@]1(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 569862577 PVMHXHCUXIUHBQ-HXUWFJFHSA-N 441.469 0.208 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589038253 LCNQJHJUSQFEFW-QAPCUYQASA-N 435.488 0.251 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C 609219988 RNJPYPWISGVPCB-UHFFFAOYSA-N 427.526 0.816 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 725904124 PJMCHEUYHIJFFI-UHFFFAOYSA-N 427.482 0.902 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727814226 BMLMXWSGDOKFPC-UHFFFAOYSA-N 427.555 0.977 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 728572380 BJBAIGJTQOVKAE-QHCPKHFHSA-N 428.533 0.638 30 20 ICED C[C@H](CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742605289 YUSLEQCJULRBAH-IUODEOHRSA-N 436.559 0.931 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)s1 745247934 DMQRRBXPMPUITR-QGZVFWFLSA-N 442.519 0.014 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C1CC1 745386835 IXCBCIGLGKSXOY-YCRPNKLZSA-N 426.429 0.268 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 747993478 LQSNCJWRXKNTFZ-UHFFFAOYSA-N 427.429 0.609 30 20 ICED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 750853897 LRJFGSPBCYWJGU-KRWDZBQOSA-N 435.594 0.990 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC1=Nc2ccccc2S(=O)(=O)N1 750875343 SYRUWQUCPBLQRU-UHFFFAOYSA-N 448.482 0.681 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 758573335 DAYQBWBIZFZOMO-KBCNZALWSA-N 443.504 0.852 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 761036847 LIDFPMPUEYTHAO-CQSZACIVSA-N 448.467 0.848 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761227428 RKCKQTPSPYPYFF-UHFFFAOYSA-N 432.410 0.605 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)c1cc[nH]n1 772157634 WEEWCBZRQIVZFF-CALCHBBNSA-N 434.541 0.711 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 780318134 JFPVJLWTOGNBJU-CQSZACIVSA-N 446.489 0.513 30 20 ICED CCOC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 781376152 UZPFEXVKNNCSJY-KBXCAEBGSA-N 437.518 0.980 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 782904696 HKIZOQVBOQROLR-UHFFFAOYSA-N 429.477 0.652 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 783541754 KCFUBRXFSDMNAM-INIZCTEOSA-N 445.519 0.855 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784184185 CJYOOBDECLNVNA-ABAIWWIYSA-N 429.882 0.473 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)c1C#N 788106820 OXAMORXSJZXQIJ-QHCPKHFHSA-N 447.499 0.642 30 20 ICED NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 791276689 ISCQBUCYULUMQP-UHFFFAOYSA-N 434.474 0.220 30 20 ICED C#CCN=c1nc(N2CCC[C@H](C(=O)OCC)C2)[nH]c(N2CCC[C@@H](C(=O)OCC)C2)n1 804318370 IYJNJMQISVKUQV-CALCHBBNSA-N 444.536 0.898 30 20 ICED CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C 835047326 GFXZOYZFGPVENT-UHFFFAOYSA-N 426.477 0.257 30 20 ICED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(C)c(=O)n(C)c3=O)nc2)C1 839397707 CXJQANZKRXRUBQ-ZIAGYGMSSA-N 434.522 0.592 30 20 ICED COc1nc(N)nc(N2CCCC2)c1C=NNc1ccc(S(=O)(=O)NC2CC2)cn1 914698336 UXDRAIQOAPSAQE-UHFFFAOYSA-N 432.510 0.949 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC(F)(F)F 918621517 YGLVBGHXLAVTSU-LBPRGKRZSA-N 434.440 0.935 30 20 ICED CC(C)(C)NC(=O)CNC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918819319 PQDRVKOBEIBEAI-UHFFFAOYSA-N 438.506 0.079 30 20 ICED C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918872106 FEMLHKYUIQODPM-ZBFHGGJFSA-N 437.518 0.980 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920108177 PMIPJISFXLEMBS-CJNGLKHVSA-N 438.462 0.467 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1288652353 PRFAXHTUSQTLOW-WBVHZDCISA-N 439.586 0.691 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 1319187330 MISTXECYLLATLW-WMLDXEAASA-N 430.486 0.768 30 20 ICED N#Cc1cc(N2CCC(NCCO)CC2)cc(N2CCC(NCCO)CC2)c1[N+](=O)[O-] 1347397021 BGTZKOIWSBMUTA-UHFFFAOYSA-N 432.525 0.568 30 20 ICED N#Cc1cc2c(n(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c1=O)CCC2 1559472101 UPPYMFMKFDFZPT-UHFFFAOYSA-N 442.497 0.868 30 20 ICED C[C@@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1627880061 KQERJHBSWFYULK-INIZCTEOSA-N 436.534 0.918 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)c1C#N 1638689813 LOBCAHYSUAWSNQ-GOSISDBHSA-N 426.477 0.536 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2)nc1 1676894558 ZWZMTPFGQYYTGL-UHFFFAOYSA-N 444.521 0.361 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1729221677 LJTZHEVCBZFMBR-CQSZACIVSA-N 431.522 0.423 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCN(C)C1 1741919992 FHCKHQBSNKLYNH-KDOFPFPSSA-N 425.559 0.085 30 20 ICED COCCN1C[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1749864361 NRJYEQLOGVHLLR-ZWKOTPCHSA-N 425.493 0.488 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCSCC1 1761480196 ZQIQZROKXPXKLS-AWEZNQCLSA-N 427.600 0.677 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CCO1 1771537397 NOTHLAOCZYZKJW-VXGBXAGGSA-N 427.437 0.549 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777779567 WFEDIHKCEWINGY-IERDGZPVSA-N 426.477 0.223 30 20 ICED Cn1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)cccc1=O 1779359315 GSHMRKYZWZMCPG-CBWPXHNPSA-N 443.548 0.985 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779377433 MEJNWHWVBPPXMZ-SNMCFTQTSA-N 449.577 0.696 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1780105473 IYEIPJUKLNEQPH-QHCPKHFHSA-N 436.468 0.779 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903357 PJIQPKYCJJPPEK-ORAYPTAESA-N 449.305 0.899 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015391 KYJNBTPAUBQWDL-MPWIWIEXSA-N 432.473 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C[C@@H]21 1783530214 LQJNHBIDLOKMCC-HMKGZXSISA-N 441.532 0.599 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3nn1)CCO2 1783562696 OOIIHYCWBSANIX-FQEVSTJZSA-N 428.832 0.815 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1783928184 FOPXDFPPHJPVLD-FCHUYYIVSA-N 429.473 0.926 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1784199946 CTYIYBURXLRPNS-JOCHJYFZSA-N 425.489 0.968 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1784536348 STMIARRZPJJFAC-OIDVLUPKSA-N 449.577 0.529 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1784590023 XRWMRPJMQZBURP-QRWLVFNGSA-N 428.880 0.769 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1789958402 REWZUCSNROJELL-FYQPLNBISA-N 449.596 0.547 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237815 SNTUYJOFAKWAIB-QPSCCSFWSA-N 441.575 0.418 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CC)C[C@@H]21 1792255344 IVUKTCHEBJVCJF-TXTZMMAHSA-N 437.537 0.654 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411384 LXHIRHNPOOAESG-SCAQPMJSSA-N 436.509 0.421 30 20 ICED 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)CN)CC1 1796781942 FZHLUDWFSYLVGD-YVSFHVDLSA-N 448.568 0.451 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c2c1CCC2 1797048655 SHAODDXIXXGBEL-CCWDJLKJSA-N 430.505 0.621 30 20 ICED CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1 1797785017 ULXCFHPVSCWYJN-XEMDLRDOSA-N 443.548 0.935 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074243 HHTSRFHCOBKADJ-XEMDLRDOSA-N 444.557 0.675 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)C2 1800450901 QWVZEDPQEJWONI-ALXJQNPVSA-N 435.521 0.531 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1800987675 UWBHFURFGQOQHA-XVAUXIKLSA-N 433.574 0.530 30 20 ICED 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)[nH]n1)C2 1802125714 OVYSDKSTGXZEKD-KYHPRHEASA-N 445.520 0.838 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807708019 QTRIQCMVXGTGKC-JPLJXNOCSA-N 430.505 0.320 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)CCC1 1807950396 HXUHHSYIAQXRLO-YOEHRIQHSA-N 447.459 0.221 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CC1 1809667088 ONGQDCCXVQKQPQ-PZJWPPBQSA-N 438.532 0.555 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1810357578 RSFVLWLXNSLIBW-NMGZXGSKSA-N 441.492 0.908 30 20 ICED Cc1c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1812877644 NMAWNEYEXHTXDX-QRWLVFNGSA-N 448.439 0.134 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880914 TWHQRDCFJFINFW-XMSQKQJNSA-N 447.488 0.245 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819453174 LQPMALFHWNAZGC-MQFVPBGYSA-N 431.457 0.618 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819457913 DGABEYMYEQJGMG-UVWXRNBGSA-N 426.495 0.711 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)ON=C(C)C)CC2 1819470435 FUWVZZGTGLWUIV-GLKRBJQHSA-N 441.510 0.921 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831124870 FGDZRGZDBKFBKK-JGYVSQDVSA-N 439.509 0.587 30 20 ICED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1831380399 BUPIRYPYEQIPQL-FAKCTINISA-N 439.509 0.398 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831419285 LZLBMESFAJKVRM-IERDGZPVSA-N 434.493 0.048 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004140 ROSPTGQXUANFKA-LDBYXDLTSA-N 439.509 0.004 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015557 VGQYMPXBYXESKP-QHCPKHFHSA-N 447.532 0.750 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1832293872 PBBVHDHXOUAXIR-QFIPXVFZSA-N 428.489 0.497 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833353601 FNJDQBQMVGDRFM-JOCHJYFZSA-N 441.463 0.890 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833358432 BURSUOCKRKPPEM-JTSKRJEESA-N 432.521 0.809 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833874786 YHSXILFPBYDCRS-KKSFZXQISA-N 434.493 0.256 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1834715144 DUINZLPCYDYHTF-UHFFFAOYSA-N 429.569 0.737 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680598 MKOARCCVTBWBOK-JOCHJYFZSA-N 446.552 0.307 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccn2)CCO3)cc1 1836162143 WDNKKWYNKIEABZ-QHCPKHFHSA-N 437.500 0.844 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168511 BUIVDMKMIAKHDG-OAHLLOKOSA-N 449.577 0.752 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c1Cl 1836352141 NPFMRBPKMRNPNS-LJQANCHMSA-N 430.852 0.714 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118608 XHIWEJFWKBTXHT-VGSWGCGISA-N 428.489 0.995 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491606 QLGIWVOXSQOMQH-HSZRJFAPSA-N 447.507 0.933 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1837533483 WCWNABSYNOWKET-WBUZBYLTSA-N 447.891 0.896 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838098891 BRFIQCZKPCLTNS-NRFANRHFSA-N 426.429 0.565 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742028 MLJUHQXCWAUODT-YCRPNKLZSA-N 426.477 0.723 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1838742502 IOYAKQHYUXITLZ-QHCPKHFHSA-N 449.467 0.907 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838841979 YYVMCQGYSGSMNF-JOCHJYFZSA-N 431.489 0.972 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839175641 VGMXVNWEHKKHEW-OAQYLSRUSA-N 430.461 0.466 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cncn1 1839364229 UCPNKMHDVQXWPK-VGOFRKELSA-N 438.488 0.675 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839641341 FNUZEIWJHOAJLZ-WMZHIEFXSA-N 435.565 0.482 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C2)C1 1839810920 YDBFUNNYXMDWTO-HTAPYJJXSA-N 437.537 0.873 30 20 ICED COc1ccc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c2c1 1840042833 QEMIEIMGKBUHCX-JOCHJYFZSA-N 441.440 0.335 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1840045044 NHSRFPXBONSUFG-HSZRJFAPSA-N 426.469 0.336 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1840368508 UADCSRQSKPKGTF-IQTGRTGDSA-N 430.461 0.694 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716969 ZJRGELJGJXSGBX-GAJHUEQPSA-N 442.516 0.910 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1840842878 HLUBBIPMSIVAGL-QFIPXVFZSA-N 429.473 0.742 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058794 FKXDUKDOIBRLKD-GIEPYWIESA-N 442.520 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1843131474 KSUSKTNQUQXWLE-QGZVFWFLSA-N 437.500 0.735 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1843974320 LZHMMOIEOPGNCL-UHFFFAOYSA-N 441.507 0.607 30 20 ICED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 1845136827 BOHAKJDDELVJRM-UHFFFAOYSA-N 447.536 0.867 30 20 ICED C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 28746651 IBOSOZQFHDHVCH-HXUWFJFHSA-N 441.469 0.991 30 20 ICED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 60630440 QTEZVJLLSQQIRI-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CCc1nc(CN(C(C)=O)[C@H]2CCN(S(=O)(=O)N(CCC#N)CCOC)C2)no1 409483399 GTSZRUBLGSXCCM-HNNXBMFYSA-N 428.515 0.162 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409508148 QIYKSLMWHXMVFV-HNNXBMFYSA-N 430.552 0.728 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 410161579 LDWGMLRJNMSJAQ-KBPBESRZSA-N 426.461 0.968 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)n1 430529677 OTJRPPLTABXDEP-MSOLQXFVSA-N 438.532 0.899 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@@](=O)C1 433256461 PFGNLMZVPUWGIG-DEXQXJORSA-N 438.575 0.092 30 20 ICED COc1ccc(OC)c(CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444501927 LXGXXDBEVZXRIL-UHFFFAOYSA-N 426.477 1.097 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 481153984 GLAXCVOXFXZEJX-CZUORRHYSA-N 432.477 0.825 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)c(C)c1OC 488274473 UHUUJZCYHYHUHT-HNNXBMFYSA-N 443.525 0.571 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 505665318 UATGJEOTPARCIJ-CQSZACIVSA-N 438.513 0.266 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 514491792 PWFVMHJHUBYQME-LBPRGKRZSA-N 428.470 0.807 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 517280443 MIKRFVOCEYWJRB-OAHLLOKOSA-N 446.533 0.966 30 20 ICED CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 522902322 LFGKLSLVTLTUNM-SFHVURJKSA-N 433.534 0.257 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1C 526038186 YJYUYZMRMLRPOV-OAHLLOKOSA-N 441.509 0.211 30 20 ICED CO[C@@H](C)c1noc(CN2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 537047894 WCPVRVWEWIUVOE-OALUTQOASA-N 447.584 0.977 30 20 ICED COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 542267026 PIQUEGVXPSJGKD-LBPRGKRZSA-N 446.445 0.942 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 550243866 UKZYUMIDWQUKRQ-UHFFFAOYSA-N 449.397 0.632 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccccn4)CC3)CC2)n1 550945985 BEFUAUKZCHNVQO-UHFFFAOYSA-N 433.516 0.778 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCc3nc4ccccc4[nH]3)CC2)c1C#N 556226801 ARTVIWSUJVLCTB-UHFFFAOYSA-N 434.504 0.874 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(F)cc1F 562311361 QBKZMJVJSOSAPJ-UHFFFAOYSA-N 428.420 0.830 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 563749711 QHOGAIWUCMABQG-HNNXBMFYSA-N 438.554 0.830 30 20 ICED Cc1nsc(N2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)c1C#N 570034104 VERNLVOEROMLOD-UHFFFAOYSA-N 444.521 0.733 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNc2ccc(-c3ccccc3)nn2)c1 571335456 RDNBCPARGDHGLG-UHFFFAOYSA-N 436.497 1.522 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 583965306 BGPPYSPNLBUPRP-UHFFFAOYSA-N 425.532 0.796 30 20 ICED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)c1C#N 589613962 MCNFJYRCKGDTFH-ORAYPTAESA-N 431.522 0.875 30 20 ICED COc1ccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)cc1[C@@]1(C)NC(=O)NC1=O 608927324 HIJLPYQDSQSLRI-GOSISDBHSA-N 432.462 0.969 30 20 ICED COCCN(C(=O)CN1CC[C@](F)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 615646627 SSERWQKBJFSJMC-NRFANRHFSA-N 444.467 0.496 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1 727867823 BCWHJHTUJIVTNT-CAPFRKAQSA-N 439.519 0.738 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N[C@](C)(C#N)C1CC1 731808971 KSPRNXOQEZKHIG-GOSISDBHSA-N 430.446 0.162 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)(C)CN(C)C)c2=O)cn1 732565111 WYYPVHUCOYVNAL-UHFFFAOYSA-N 442.589 0.496 30 20 ICED C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 735116936 URZZTFRQXJCEIE-SQJPUDIVSA-N 437.456 0.628 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(C)c(=O)n(C)c2=O)n(Cc2ccco2)c1C 735152932 HNESUXZJPFUISS-UHFFFAOYSA-N 439.428 0.811 30 20 ICED CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737306187 MMZDUKLFNRRNJN-QNPFMDJOSA-N 426.429 0.844 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(OC)cc1 753789654 UKLLYPVSMHFZFB-UHFFFAOYSA-N 435.509 0.929 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 758646524 YTGVINYKCSAVED-XHDPSFHLSA-N 434.474 0.950 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)nc2n(C)c1=O 786529511 ASFDVWACJMNWSX-AWEZNQCLSA-N 425.832 0.924 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)s1 787727205 XMZGHBISQDOOTH-NSHDSACASA-N 442.519 0.157 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccsc1 790439306 OSTVXQOBEPSRPB-UHFFFAOYSA-N 443.554 0.577 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCn2cnc(C#N)n2)C1=O 795182792 GOOCIEMRRLXFTB-OAHLLOKOSA-N 443.489 0.935 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2c(C)cnn2C)c1=O 795186803 FCOZPHNBIXTIEF-UHFFFAOYSA-N 447.561 0.033 30 20 ICED COC(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 803568905 XMHYHOTXFKCONK-UHFFFAOYSA-N 437.518 0.981 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804019854 UVMRUIHRCSSUFQ-SJORKVTESA-N 427.461 0.122 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)c1cc[nH]n1 804172286 QOAVXCMEHAGZBV-UHFFFAOYSA-N 427.414 0.379 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnnn2C)cn1 807936476 NPGGEOPYMYSIHC-CQSZACIVSA-N 440.493 0.982 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 808158746 AGRYQUNCDMTWHH-DLBZAZTESA-N 434.562 0.953 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2=O)cc1 812502767 ONNDIOOUZOLOMW-WBVHZDCISA-N 444.469 0.372 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CCC1 814252043 CBEQEXHSWABYCY-UHFFFAOYSA-N 437.472 0.362 30 20 ICED Cc1oc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C#N)c1C 821751679 HGQSVBZSFQEOTJ-LBPRGKRZSA-N 436.446 0.415 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 837349135 LVZIUVYDFOQSBC-UHFFFAOYSA-N 445.589 0.962 30 20 ICED C[C@H](OC(=O)CNc1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 919624571 RKUCOENJEIUTNH-AWEZNQCLSA-N 430.486 0.908 30 20 ICED COc1cccc(OCCN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1137707429 OADRLTRIXRFXCY-UHFFFAOYSA-N 427.461 0.442 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1171843632 UPTJEXKPIOQYCC-GOSISDBHSA-N 429.496 0.527 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1286961566 VZWCRDPWFMWCOP-ZACQAIPSSA-N 441.602 0.985 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1287919174 NPZUVELNIMCGCT-KRWDZBQOSA-N 439.586 0.691 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCOC3)CC2)c1C#N 1304730602 IOKGLSWKIKGKQA-NRFANRHFSA-N 428.541 0.967 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@@H]1C 1499164940 RMCBSSZBNWOBCH-IRXDYDNUSA-N 425.541 0.938 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1502472359 RYHAOOPUYUBQPB-MSOLQXFVSA-N 446.533 0.750 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 1503625613 RXRHGQQRYXQHGW-KRWDZBQOSA-N 434.522 0.893 30 20 ICED CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1505117469 YWIYXQQTAYMDQQ-SFHVURJKSA-N 446.533 0.989 30 20 ICED Cc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cnn1C 1510511361 WTPDHIVHTMYEQO-KRWDZBQOSA-N 448.553 0.441 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1517670932 QDJXAZGXAVOPHG-UZLBHIALSA-N 445.501 0.366 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 1541927347 IWSXGSHCVGCFRG-MLGOLLRUSA-N 425.494 0.092 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1616264065 UKEFZDSDJOMFSM-UTKZUKDTSA-N 428.493 0.889 30 20 ICED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1698322241 UTIVLLUEDYSFMI-SSEXGKCCSA-N 428.518 0.966 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712886440 SLIWWYFAOBCMSU-QGZVFWFLSA-N 436.476 0.781 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)F)cc1 1731183069 MQBZXXMBMCQUES-ZDUSSCGKSA-N 433.419 0.422 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1741804265 YZFJGDWZUJYAHU-KEYYUXOJSA-N 444.583 0.217 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1771345167 BUZJCVBAYPEPRI-FXAWDEMLSA-N 431.518 0.982 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1779024292 BTDIPPBMBXTLPL-NRFANRHFSA-N 431.493 0.963 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168246 GEMABBURQPCROO-NRFANRHFSA-N 447.513 0.917 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190139 LTWNBLIMGCCEEI-DYESRHJHSA-N 448.907 0.806 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)no1 1780697707 UMOGBXRSFCWKLM-QFIPXVFZSA-N 437.456 0.728 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781188062 PCKJTRXYKCRBMZ-YCRPNKLZSA-N 437.493 0.296 30 20 ICED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2)C(=O)C(=O)O 1782752668 SDXZEIVLZIHSFM-HXUWFJFHSA-N 448.863 0.198 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783336205 NSVADXKTYPDPMT-CVDCTZTESA-N 428.533 0.702 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)nn1C 1784240592 GTYAVBJHUUFUAV-JBACZVJFSA-N 442.560 0.949 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1784485336 JQILRCQXBABSRB-JIFZMYKYSA-N 431.533 0.405 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cccnc3)[C@H]2C1 1786860522 FRTBKBWDMVLKFM-NIWGMWRLSA-N 441.532 0.720 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cc(O)n1 1787456510 MTOXEHFCZBKCHB-SZMVWBNQSA-N 429.521 0.971 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833909 PYRXTYCQYSWGNT-RMFSNUHRSA-N 443.573 0.564 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)CCOC1 1793261572 WMNNVXQNWVMOLC-PDPLOHQNSA-N 447.532 0.673 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(OC)nn2C)c1 1794345321 OWFNEEXRLLHGDP-CWPLJXCYSA-N 439.472 0.826 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797183591 HZPBPMYFPDLXNZ-NSAZKJPHSA-N 439.512 0.660 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc2[nH]ncc2c1 1797345855 WRERGASNANXNHA-JKNIJVHPSA-N 442.476 0.690 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1797728754 FJEVYFYOPLFEBR-HGKCTWBKSA-N 428.627 0.672 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)no1 1797826805 RIHBBFZCXNGCKT-OPMZPASUSA-N 436.468 0.354 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800733525 IZWWRFHFTRIGLX-LUDBKSMVSA-N 437.496 0.524 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)c1ccc(O)cc1 1801058044 GZAULLHVHPTYRH-BANDYGIESA-N 439.512 0.615 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1802500249 YIMSNTSCIDYSCL-LHTVMBCQSA-N 437.504 0.628 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804090476 HIWHEUSZYMVRGY-KXBFYZLASA-N 431.518 0.558 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1808439748 CEYMCRKXKWGNCQ-APWZRJJASA-N 437.518 0.641 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324494 XJDHNCMSFABRHF-GHMZBOCLSA-N 441.473 0.138 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(O)O)CC3)c(C(F)(F)F)n1 1815974986 SFZRDRZJULYCJU-SSDOTTSWSA-N 441.391 0.965 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529765 GUXCDXZOGFAYKN-OAHLLOKOSA-N 443.460 0.836 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824461820 KFURJUCGNDVAKR-HOCLYGCPSA-N 427.523 0.022 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825069512 SGJVFRXYZAETKG-YHLLGKTKSA-N 445.520 0.063 30 20 ICED C#CCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)sc2C1 1826649867 FGITWMQRWZNBBW-XJKSGUPXSA-N 428.518 0.939 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827598079 SLRPAPOUBUQHRO-TUYSUELWSA-N 443.504 0.980 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1828888433 FEPMEUPSMFMDCN-IRXDYDNUSA-N 437.537 0.722 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)cc1 1829635456 IDDGRVKXGAHAME-REWPJTCUSA-N 427.501 0.984 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1830457638 BZFBFMTVZBIEAL-XMMPIXPASA-N 449.511 0.980 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831022541 GVIOUJJWZGUGSO-OAQYLSRUSA-N 436.892 0.767 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831525706 VLZXSMNWTKYUDS-NRFANRHFSA-N 426.473 0.775 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C(/C)C(=O)O)CC2)CC1 1833076225 JUTANENOTOSCQJ-PVJUWGOCSA-N 432.521 0.447 30 20 ICED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833767071 QJGCROWOBNJLJN-DHNIJCFSSA-N 445.520 0.632 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)co1 1834210192 MNTMYXMYYYBDEV-YTLJWTSXSA-N 436.465 0.582 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328679 HMVTZZYFDPEUNY-ZDUSSCGKSA-N 434.566 0.130 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)c1 1834440542 YAXAZYWBFPZLIL-QHCPKHFHSA-N 437.500 0.995 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cocn5)CCO4)C3)c2c1 1834511164 ICPSRGFMLKWZGZ-NRFANRHFSA-N 436.428 0.806 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607094 FXGWSEDEQXXYGL-SFHVURJKSA-N 437.541 0.705 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1835356476 ACFHUUWFQKYCOV-OAQYLSRUSA-N 426.429 0.195 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1)C(=O)O 1835778044 LAGAKHAEQLIWMX-OEBVFIGYSA-N 447.536 0.333 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836783960 FZRULLODLQZKFA-HJPURHCSSA-N 443.500 0.842 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CCO2 1836805865 MLDCKCSABOHMTA-NRFANRHFSA-N 429.404 0.465 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291691 OQBGFFWLEDXCSB-PKTZIBPZSA-N 439.468 0.591 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315922 QFYUOWXNYDNSJD-GUYCJALGSA-N 438.399 0.139 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837437648 FPJXZUZBUDRNAZ-YCRPNKLZSA-N 435.546 0.791 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1837656767 HJXPURACKKBZNE-OAQYLSRUSA-N 431.493 0.047 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907134 AZYQWCLFRWJYOH-HXOBKFHXSA-N 442.516 0.933 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839223040 JQZHVFLJIBANGT-UTKZUKDTSA-N 435.525 0.908 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839225528 LUJVGZGKMMCHIB-FOIQADDNSA-N 438.481 0.692 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)ccn1 1839227053 ISCXJZIGHZEHAH-IERDGZPVSA-N 434.493 0.961 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364198 SICPDFPMVABPIA-UGKGYDQZSA-N 447.557 0.937 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1839810462 YFIKTFZBSRJHGM-OAQYLSRUSA-N 434.514 0.112 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)Cc4ccccc4)CCO3)C2)CCC1 1839962122 VCEDLSLTAKDYSB-CVDCTZTESA-N 427.501 0.740 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840158082 GRHPDOVJVDRTQC-QVKFZJNVSA-N 443.529 0.927 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)n1 1840161370 MJYZAQJYZAHKEA-FOIQADDNSA-N 438.550 0.062 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2)C(F)(F)F 1840200445 IDDJJAPFYRJASX-XJKSGUPXSA-N 426.457 0.675 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840342248 MQCQQMXEBUXTID-FNEOHHHZSA-N 430.509 0.161 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](C)CS(C)(=O)=O)c(C#N)c1 1847822391 GVAMLSCARGZPJA-JVPBZIDWSA-N 433.530 0.992 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 428681208 FQLIXIIGUVNAPV-YPMHNXCESA-N 432.424 0.752 30 20 ICED CCOC(=O)C=c1sc(=Cc2ccc(C#N)c(C)c2)c(=O)n1CC(=O)N1CCOCC1 435749220 RVFLLQSLMKLVRD-UHFFFAOYSA-N 441.509 0.121 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 439388043 QJBOHAZHSYTQBB-UHFFFAOYSA-N 448.545 0.966 30 20 ICED C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 466152649 YNCAJNZAENPTQG-SFHVURJKSA-N 448.593 0.458 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 470304336 VKCKVGRRRWWYCV-UHFFFAOYSA-N 445.476 0.924 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 477632082 IWPHMTZILFCKEX-UHFFFAOYSA-N 433.852 0.663 30 20 ICED Cc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N1CCOCC1 480246521 LJFOPMUVADNMSL-UHFFFAOYSA-N 439.519 0.927 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 490406668 GJZXDAZGMNJULU-MRXNPFEDSA-N 445.520 0.581 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 503238212 TXFUSLHURJVRFX-UHFFFAOYSA-N 435.483 0.681 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(N(C)C)Cc4ccccc4C3)CC2)c1C#N 506411137 UQCRFYKSXLXOTH-UHFFFAOYSA-N 449.559 0.464 30 20 ICED C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 506866991 SMZYBUXGBABRRG-UHFFFAOYSA-N 437.453 0.898 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 514552247 SLNJLDXRXAXOEM-KRWDZBQOSA-N 447.513 0.988 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 524281179 KILLNWVEKNRDBJ-UHFFFAOYSA-N 428.489 0.405 30 20 ICED COc1cc2nc(CN3CCOCC3)n(CC(=O)NC3(C#N)CCC3)c(=O)c2cc1OC 525878510 RFIXDRORMJVDDY-UHFFFAOYSA-N 441.488 0.808 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC3CCCC3)n(C)c1=O)OCO2 546781227 MJAGAEBIPDKNBU-UHFFFAOYSA-N 427.482 0.746 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCN(C)C(=O)C1 548850627 PTTRNWHUFGYADA-UHFFFAOYSA-N 446.533 0.430 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)n2)c(F)c1 549790905 BCQBDXRSQJBMIW-HNAYVOBHSA-N 441.463 1.505 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)ccc1Br 550765612 CUPKTSJIZOWDLM-BMLIUANNSA-N 434.250 0.754 30 20 ICED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 551562424 CHPUMQBEEVKHMJ-UHFFFAOYSA-N 448.505 0.633 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 553958119 ZYEBNBXVNGOOEN-UHFFFAOYSA-N 428.537 0.607 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 554647821 LPASVOZOWHQZTF-LJQANCHMSA-N 447.499 0.745 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCS(=O)(=O)C3)CC2)cc1 561993176 FJGWBJLGJRVEPR-MRXNPFEDSA-N 440.547 0.399 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)NCC1(C#N)CC1)c(=O)n2Cc1ccccc1 565870628 DLLHCEGSKQWHAD-UHFFFAOYSA-N 436.472 0.474 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 567972065 MPEYWTKFJKJBFI-UHFFFAOYSA-N 435.437 0.774 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 571815263 BFUNABMSLOZVNJ-TZIWHRDSSA-N 442.541 0.836 30 20 ICED Cc1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc(F)c1N1C(=O)CNC1=O 573854974 YEQPZRLVHGFDLJ-UHFFFAOYSA-N 445.432 0.979 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cncc(C#N)c3=O)cc2)C[C@H](C)O1 578403757 SXPVFMWCWHCCTK-KBPBESRZSA-N 431.474 0.552 30 20 ICED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 578547589 VGSDZLZZUSOXKU-SFHVURJKSA-N 435.488 0.684 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 579895059 DOPAHRSYLBAMQA-HNNXBMFYSA-N 440.547 0.157 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 583225230 YZZVGUIKOVHATC-LEWJYISDSA-N 444.532 0.529 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)CN2CCOCC2)cc1 607721948 NEWPIGGHSUFDLH-IBGZPJMESA-N 426.539 0.698 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 608918963 DCXXTIDSCVQYJY-MRXNPFEDSA-N 429.506 0.489 30 20 ICED N#CCCN(C(=O)CCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 609421113 PKKSLTBIHBNCKF-MRXNPFEDSA-N 434.518 0.523 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 609559676 QHQJRTXAONFFEY-KRWDZBQOSA-N 426.498 0.967 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 611099969 VNTJGGRTEITTOD-CYBMUJFWSA-N 426.481 0.484 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 729671520 JXEANVLDWLYFMF-UHFFFAOYSA-N 431.489 0.366 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)CS(C)(=O)=O)cn1 733200593 GMMMHQNGZJHSJS-FZMZJTMJSA-N 427.552 0.936 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCN1C(=O)CNC1=O 733380675 PYINXCUKQKFNBW-CQSZACIVSA-N 436.490 0.625 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1 735591444 WZRSUXIKOZCZOM-JKRPTORDSA-N 435.550 0.894 30 20 ICED C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742495780 SMLTYKCJHDHXRV-GUYCJALGSA-N 426.498 0.943 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744007664 KTRJRIQGDNUERW-LBPRGKRZSA-N 432.483 0.880 30 20 ICED N#Cc1ccc(-c2ccn(CN3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)n2)cc1 744146614 HKAGGHAKIAVBGD-SFHVURJKSA-N 449.558 0.514 30 20 ICED C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C#N)c1 753660290 ZVJBNASMZWLYGF-SWLSCSKDSA-N 432.458 0.594 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CN1CCc2ccccc2C1 762982209 UVAKVOFSEIHDDD-QGZVFWFLSA-N 428.514 0.261 30 20 ICED CCc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 763155351 RNEXZGBLAVGKAF-BFICXRQZSA-N 447.521 0.996 30 20 ICED CC(=O)Nc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769642377 PUDFTIYZDHBCGL-UHFFFAOYSA-N 430.442 0.977 30 20 ICED CN(Cc1nccn1C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782965844 JVWUIVUPZHUSJT-CJLVFECKSA-N 432.506 0.830 30 20 ICED Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 787476845 GPHLZHKLMMXZAE-UHFFFAOYSA-N 430.472 0.807 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3c(C)cnn3C)c2=O)c1 795194348 IXICOKQAXDWYAK-UHFFFAOYSA-N 447.520 0.188 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804053226 IRDKWTZRGRDBTF-RTWAWAEBSA-N 425.533 0.572 30 20 ICED CN(Cc1ncc(Cl)n1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238246 WLZRLPHGKQHNBE-HNNXBMFYSA-N 428.880 0.821 30 20 ICED Cn1nnc2c1C[C@H](C(=O)[C@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 810534039 DFWODFYAQMQXQL-PBHICJAKSA-N 437.460 0.886 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)nc1 815684942 FDQRXTJJNOFSPI-SFHVURJKSA-N 434.456 0.508 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(C(=O)C(C)C)CC3)CC2)o1 915378260 NHPGIIWJYNIKJS-UHFFFAOYSA-N 431.493 0.941 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCNc3ccc(C#N)cn3)CC2)cc1 917099012 HMBSPTORIACSID-UHFFFAOYSA-N 442.545 0.796 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 917129070 PSWWNGJVOXTMCX-AWEZNQCLSA-N 442.563 0.293 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCNS(C)(=O)=O)c1 918545414 PVEXCWVHGVIUEL-LTGZKZEYSA-N 445.567 0.950 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCC(=O)NC2)CC1 919339300 XCUYAUWQTLQYGW-ZDUSSCGKSA-N 427.417 0.524 30 20 ICED C[C@@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 919350399 YBEMWDBUUJRUGZ-LBPRGKRZSA-N 436.446 0.431 30 20 ICED Cn1c(C=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)nc2c1c(O)nc(=O)n2C 920372563 QUKAHMPYAXSVTJ-UHFFFAOYSA-N 434.482 0.290 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O 1189391826 MGFMKNVJRCYHNS-UHFFFAOYSA-N 439.472 0.130 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 1248733472 YBSJMZOBISGECA-AWEZNQCLSA-N 449.533 0.442 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1288869872 LFLLISUJOHZTAF-IXDOHACOSA-N 439.586 0.882 30 20 ICED COc1cc(CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc(OC)c1 1445467391 XZOKWUGDSLSSRH-UHFFFAOYSA-N 427.461 0.572 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)n(C)n1 1511661613 VSJPZFHAESNYTL-BBRMVZONSA-N 436.542 0.297 30 20 ICED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1519521246 PYHYDKJTBIOWHN-QGZVFWFLSA-N 430.490 0.892 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1611687027 PZCVEOHZJVMPSF-FZKQIMNGSA-N 436.517 0.840 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1645168646 JOJYAEYYKDMDSZ-RRFJBIMHSA-N 443.547 0.212 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CCO1 1731187630 UXKANTLJQCGTCN-AWEZNQCLSA-N 432.506 0.540 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCOCC1 1751930271 KZXGTJDCODNUHW-OAHLLOKOSA-N 425.497 0.212 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1769129840 YEZZZBGZEGRCFC-OAHLLOKOSA-N 439.520 0.917 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1779063617 YSNVNNHALYPLCM-NRFANRHFSA-N 430.461 0.030 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779067705 YLCKHGUODUILTF-FQEVSTJZSA-N 433.534 0.425 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102481 YXLOITMXYNOFKB-PQKFSCNMSA-N 433.465 0.458 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779104878 OZGGDIKGOAFUEE-RXQHMNIESA-N 442.476 0.930 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc(O)[nH]1 1779780278 FFPHITJHJWKYGR-YVTMVBNISA-N 435.481 0.772 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)S)C3)cn2[nH]cnc(=O)c12 1780020298 XKWGSICGOWBAKG-XBHMSOGKSA-N 433.534 0.777 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1780738428 DCUNYXIQWRJCPX-XMSQKQJNSA-N 431.489 0.957 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)CC2)CC1 1781107942 JUARZKSIVKVFIW-OAQYLSRUSA-N 426.521 0.110 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)[S@](=O)c1ccccc1 1781499519 JRESYFMUKSPJJW-CGNKHZFHSA-N 446.525 0.785 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1781689050 IQENCGOFZMYIBD-NTKDMRAZSA-N 437.496 0.749 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1782054659 FQQRBKMWTDKSOQ-KKSFZXQISA-N 433.530 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277049 CAXOTUCBJSCEHM-OAQYLSRUSA-N 430.509 0.391 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1783235573 IQMDSLDKQRJFKW-DYESRHJHSA-N 447.419 0.878 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1784019633 MCIXYVKVOPITHG-XXBNENTESA-N 430.501 0.728 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784110819 URQITVVAHNGHCK-QFIPXVFZSA-N 441.871 0.446 30 20 ICED CN1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784119972 OLCUPERPJWLSTL-WZGQAYNUSA-N 436.553 0.979 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784380694 WPCCDEMBVPVRED-MRHSLFKSSA-N 440.500 0.386 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1 1785077157 RIMWQBVPNFKXCV-NYHFZMIOSA-N 439.472 0.309 30 20 ICED 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ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1841748501 AHDINPGOUKAWRG-GJZGRUSLSA-N 433.513 0.907 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c(C(F)(F)F)n1 1843170036 GJTDRAZHJAURQE-UHFFFAOYSA-N 447.373 0.714 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846001492 RGFSXSNYTASVPS-DOQJBMMISA-N 432.521 0.795 30 20 ICED C#CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 23370778 UDRKETZZZWWLOQ-ZDUSSCGKSA-N 436.563 0.919 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(S(N)(=O)=O)c3)CC2)cc1 31910125 CJTTVDSRAXUYPX-UHFFFAOYSA-N 440.528 0.414 30 20 ICED Cn1ncc2c(=O)n(CC(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cnc21 110532651 NDFIJIKYMNXCKF-UHFFFAOYSA-N 432.400 0.369 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410114979 IPGKJNGVUXPPPM-INIZCTEOSA-N 437.518 0.762 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1=O 410118163 VISGOXJLECAIEW-IBGZPJMESA-N 448.545 0.398 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 410421143 IUXNMLLJVAGNCJ-UHFFFAOYSA-N 440.547 0.779 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1 434809736 PPSNCZTYJXUZNP-UHFFFAOYSA-N 428.497 0.566 30 20 ICED CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 437968548 DLHCCFHXRNCECO-LJQANCHMSA-N 448.545 0.713 30 20 ICED N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 439319543 IIGFSBJNVCDJAG-UHFFFAOYSA-N 438.481 0.937 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 444499779 TUEABCFJOGIJHA-UHFFFAOYSA-N 431.434 0.690 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465492650 NMRBDSSXLIKZDL-AWEZNQCLSA-N 435.531 0.960 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 466803542 BLDCCTHMLOIGED-IAGOWNOFSA-N 435.550 0.782 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 469719264 YMBMDQLPRCVUTH-AWEZNQCLSA-N 447.517 0.275 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480937073 VTPLMTIKAVUTRE-UHFFFAOYSA-N 431.499 0.058 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486621306 RZNMFQAWUDNXJS-GOSISDBHSA-N 437.485 0.828 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489151056 ZNUMXJUYLLBGLW-MRXNPFEDSA-N 441.509 0.515 30 20 ICED CCN(CC#N)C(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 492183251 TUHJLDIFZJGMQT-SFHVURJKSA-N 436.534 0.834 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 501245278 XECVRRFFEKUSRE-NVXWUHKLSA-N 436.534 0.568 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccccc3OCCO)C2=O)cc1 506184501 YCJUTTSDTNTGKS-LJQANCHMSA-N 436.468 0.857 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1C 509967265 DILQLHSYTUNKMM-UHFFFAOYSA-N 432.506 0.780 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)ccn1 518447774 DNTSFQJNWJCCDC-UHFFFAOYSA-N 429.458 0.836 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc4ccccn4c3=O)CC2)cc1 518881313 AUZQMGCQFWPUNB-UHFFFAOYSA-N 440.485 0.291 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1cccs1 522625129 MODUSGYOKVXUEV-CYBMUJFWSA-N 443.554 0.580 30 20 ICED CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 524724390 OHECAUFSBBYBJJ-UHFFFAOYSA-N 429.502 0.978 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 527073316 CNIOFNLYYPESIA-UHFFFAOYSA-N 434.880 0.313 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 531803302 XPVISRQDXQNOBY-LBPRGKRZSA-N 435.400 0.590 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCCO1 534603257 XTFUNADZHYRVQM-OAHLLOKOSA-N 445.566 0.902 30 20 ICED CC(C)(C(N)=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538349315 VSOGVWZUDBCJTF-IBGZPJMESA-N 430.528 0.416 30 20 ICED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549213561 LJAVIFYTJZOOAP-UHFFFAOYSA-N 447.503 0.859 30 20 ICED CCOCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 553806081 BETUVCKJTYGPEQ-SFHVURJKSA-N 431.512 0.963 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 572667129 IDCCZMJKUBECJO-UHFFFAOYSA-N 441.513 0.828 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 580477417 MRUHDTMTNVYZTD-QRTARXTBSA-N 442.563 0.449 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 590983207 LYCRTBUHCQOKSR-UHFFFAOYSA-N 431.901 0.997 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596103967 MQMLSDVVFKFODT-CQSZACIVSA-N 430.494 0.450 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 602253515 UQHGEWQJZBELDD-UHFFFAOYSA-N 448.457 0.404 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 603996869 JMXOFABXQWXDMJ-UHFFFAOYSA-N 425.510 0.835 30 20 ICED N#C[C@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN1Cc1ccccc1 609686453 JODCVXGZGGLHOX-YADHBBJMSA-N 426.565 0.812 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 611003823 KMRSUIVJPUDDDE-CQSZACIVSA-N 448.505 0.078 30 20 ICED C[C@@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 733306099 MGTRUJVKMYRZHN-RHSMWYFYSA-N 432.502 0.989 30 20 ICED CC(C)(C)NC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832964 SFJNBERHMQUJAI-CQSZACIVSA-N 429.433 0.931 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745480209 CROLGKPBOOFMNO-XHSVMWQWSA-N 429.454 0.946 30 20 ICED C[C@H](CC(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497879 XGOFLNGNECWVLW-CJNGLKHVSA-N 445.501 0.976 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 747991658 NDGPTWDUCIHWFR-UHFFFAOYSA-N 440.500 0.614 30 20 ICED C#CCN1CCN(C(=O)CN(Cc2cccc(Br)c2)S(C)(=O)=O)CC1 749872692 AUZAWMHTJPGDNU-UHFFFAOYSA-N 428.352 0.988 30 20 ICED COc1cc(NC(=O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 752743411 KBOCPDWACZUJNQ-UHFFFAOYSA-N 446.485 0.887 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 757295517 UZJJVVFEEGDHQL-CQSZACIVSA-N 435.444 0.981 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OCCOC)c2)c1=O 758041561 XCIVOSDGTWRDBG-UHFFFAOYSA-N 425.510 0.596 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)cc2)c1=O 758054266 KSMLGHJWPDMWBW-UHFFFAOYSA-N 425.535 0.630 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@H]3CCOC3)CC2)cc1 762153748 XRMAPPMXZNOALH-HNNXBMFYSA-N 441.531 0.441 30 20 ICED C[C@@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 768250007 LLXBJBUGJWWSPB-MAUKXSAKSA-N 427.548 0.612 30 20 ICED CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 769542656 ZOLOYIZIGXYYTQ-HNNXBMFYSA-N 444.513 0.793 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774576600 YYPAYUCRWSHOBK-ILXRZTDVSA-N 449.533 0.794 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1C#N 775692185 ZRYWVBVKORZKHN-UHFFFAOYSA-N 427.425 0.489 30 20 ICED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785296567 NUSDMAYJXOXGKL-ZPYMSXFVSA-N 435.550 0.989 30 20 ICED C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1(C#N)CCC1 787565957 QTPWCBBDOXLYMB-ZDUSSCGKSA-N 439.465 0.954 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 790672269 BCHWNZAOZGJXRG-ZFWWWQNUSA-N 427.548 0.785 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc2)C[C@@H](C)O1 793194710 VXNBWWAXOQZOTC-OKILXGFUSA-N 441.531 0.848 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1 795324016 LNYFMWQYLPOXGZ-INIZCTEOSA-N 429.454 0.500 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 795970186 JBFKJKRKWUGOPI-UHFFFAOYSA-N 439.453 0.515 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)N(CC)CC)CC2)c1 808120612 LZGXZQVWZXSUEF-UHFFFAOYSA-N 434.562 0.661 30 20 ICED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(CCC#N)c1ccccc1 825369633 BIPNHUZQRQXILH-CQSZACIVSA-N 438.444 0.312 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 899577283 DOARFUDICWVNND-SNVBAGLBSA-N 448.295 0.671 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)CC2)o1 915370939 XHONFEBTBUIOJX-UHFFFAOYSA-N 436.428 0.607 30 20 ICED CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918428247 ORBZEDZVLHNXEQ-JWGURIENSA-N 437.522 0.423 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCN2CCCS2(=O)=O)c1 918616253 JNQOYTFSONQWJJ-KNTRCKAVSA-N 428.536 0.864 30 20 ICED N#C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1nnc(N2CCOCC2)n1-c1ccccc1 1116506576 YDQRDCAQXONXJQ-HOCLYGCPSA-N 430.490 0.014 30 20 ICED Cn1nc(C2CC2)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1185154730 NEDXBQCDFGYVQN-UHFFFAOYSA-N 435.531 0.864 30 20 ICED CC1(C)NC(=O)N(CCCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 1263135784 HSONDUATLDCSSD-UHFFFAOYSA-N 429.481 0.976 30 20 ICED CC(=O)N1CCN(c2ccccc2CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318860530 OTHGTLYKVOLVCS-QURGRASLSA-N 425.489 0.888 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1501432634 UGFDNDYTUQTEBM-INIZCTEOSA-N 439.476 0.848 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)CCOC1 1502669246 ZEDIFCKVBYGBLQ-OAQYLSRUSA-N 432.525 0.952 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539803777 NJYPVRXEHAPZMR-GUYCJALGSA-N 446.961 0.326 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1696838998 KZYKWMHBBFLRDK-HNNXBMFYSA-N 437.547 0.732 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1723946621 YPJSUSRUKPJOOQ-JCGIZDLHSA-N 425.559 0.085 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1747603867 VYFYGZIOOILRNY-SFHVURJKSA-N 445.549 0.229 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1771348236 SFNVDYYBVGODBG-NVXWUHKLSA-N 449.558 0.875 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)CC(=O)N3)C1 1778921614 DRADGXKHQHTFEG-VGOFRKELSA-N 425.441 0.397 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1779101623 RYIMMWLLLGBZRX-NDLNQOIOSA-N 437.472 0.840 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1779140920 KHDAGQLXPDEXBA-FCEWJHQRSA-N 427.592 0.898 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779198143 CIOOBZKGHXTRSL-OAQYLSRUSA-N 428.493 0.132 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1779423766 YCYAGDHVVZWRKP-WSJUSMGMSA-N 446.504 0.977 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779525164 HYNQYGUBQWDAES-NCFUXCNKSA-N 427.417 0.330 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197909 XJNVCTYPJHQGSQ-JOCHJYFZSA-N 437.456 0.535 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1781264385 YLRZGNKDKOKGRL-IBGZPJMESA-N 428.507 0.232 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)cc3O)C[C@@H]21 1783531275 LJQHREAFOIQIJD-WZKGKYDRSA-N 443.500 0.853 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783661077 BZJWYNSBOGJEPS-JOCHJYFZSA-N 442.553 0.869 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1784744181 LYLNRUDHWXWLIZ-VZSQWMKGSA-N 440.543 0.752 30 20 ICED C=CC[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 1784784418 MRMAHWNTNXDACF-QAETUUGQSA-N 449.504 0.524 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1788659021 FVPKCFCJINGACA-UGCWHGFMSA-N 449.464 0.010 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1789890589 YETZGYWDLUSFTQ-SZMVWBNQSA-N 431.489 0.488 30 20 ICED CC(=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 1790866877 BGAZIDGKOVXRGX-SHWJHDSMSA-N 433.530 0.991 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21)C(F)(F)F 1790880635 IITGPBCVRSDJHM-PYJNHQTQSA-N 426.457 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(F)c1)C2 1792484837 WPFRGRHNUSZEKP-IBRLJDPESA-N 431.464 0.896 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1793349800 JYARGDKBVYCHLN-LWASTNQWSA-N 427.501 0.433 30 20 ICED O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793958756 BOZWHSKMIAHQNA-MEBDHWGESA-N 439.472 0.113 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794088576 PCGXWNNSSGZTTN-MUJYYYPQSA-N 425.445 0.127 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CC2=O)c1 1795416329 IOAUVJPUSIIWKS-DBHNTLKXSA-N 440.500 0.941 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)n1cccc1C=O 1795749158 DJHCDIGNHFHTTM-NVIMLUOISA-N 429.521 0.923 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796286513 YPYBCQANKRYTQZ-JLVBRIDZSA-N 429.477 0.621 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)N(C(=O)OC(C)(C)C)C1 1796298897 AFGQJTKGUDRSQP-YVSFHVDLSA-N 445.524 0.877 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCc1[nH]cnc1C 1797662954 TYPCGFWADIJKMC-NVSIEKKMSA-N 447.561 0.399 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)n(C)n1 1799324749 UEOUTTGFCACDGV-VPTLXERWSA-N 441.463 0.885 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800204098 PVDVYOITWZOZKU-CUSZFKRNSA-N 425.489 0.483 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800985444 IOGQFVJRIDENDA-OHTBPHCPSA-N 442.501 0.092 30 20 ICED 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 1800988680 PRECGPYDLNPTGJ-RMEBNNNOSA-N 431.555 0.170 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c1Cl 1801067995 YPQWFAUJFAVZKK-NFWAQSGPSA-N 430.892 0.941 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c1 1801348041 RVQNXLOVWRYYAQ-UPHUGPLXSA-N 437.456 0.639 30 20 ICED CN(CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(=O)OC(C)(C)C 1802134140 CSSQXSJIBLAZLW-CCWDJLKJSA-N 437.493 0.311 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804089103 FGQBPCSRYBZNJQ-BXWFABGCSA-N 443.504 0.212 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810558239 BNRLHLBZVJQSHL-GEALJGNFSA-N 432.521 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(O)nc2O)[nH]n1 1814437309 RXWZUMUGRYATCA-AFNCTOJWSA-N 441.448 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1815205479 XGTDAXFMWSLWPB-HOCLYGCPSA-N 442.476 0.711 30 20 ICED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815673148 LMWTXHOXQAIEFR-OCCSQVGLSA-N 429.568 0.451 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817359325 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XIFLTHJOLMTYFN-HXUWFJFHSA-N 431.449 0.918 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831195863 ICXMWDKIRNEOGU-FQEVSTJZSA-N 427.567 0.668 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831391975 HJZOQXVBVCSKCY-AOMKIAJQSA-N 430.505 0.017 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1831397645 URZYMZYIVBXNTL-SBUREZEXSA-N 446.500 0.812 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1831407426 ZBYPDVCODLJHDQ-JOCHJYFZSA-N 434.537 0.792 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831491214 ZYAKUVMWNZYAFA-OXJNMPFZSA-N 433.534 0.754 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1832456785 ZZMPHRLIFQTCKL-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833038915 AJOHBCSTUABRMD-XMSQKQJNSA-N 434.537 0.529 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833707441 HDXUMRYZOOJLHT-UHFFFAOYSA-N 440.566 0.020 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977930 PHSKIIAVRACSRF-AGDXKCLUSA-N 433.465 0.076 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328691 HVRVTFHSFPAAEA-UHFFFAOYSA-N 440.548 0.615 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835102288 KPJPVULRZOYSMJ-HSZRJFAPSA-N 440.496 0.838 30 20 ICED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCN1 1835102408 RACDTFLXCGMWLA-WMZHIEFXSA-N 425.485 0.021 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835403176 CDIGLLHTCDKIIB-URXFXBBRSA-N 448.608 0.849 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1835716887 ASQIEUWFKWAHOL-OALUTQOASA-N 434.581 0.752 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@]3(C)CCCN3)CC2)CC1 1836382258 WASYIMJKMYPYGN-IYZQMXKPSA-N 431.581 0.559 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447974 XIIYVZDXSCEHMX-VFNWGFHPSA-N 429.477 0.619 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837403996 YHTNQGPFRFDIRB-XMSQKQJNSA-N 434.489 0.741 30 20 ICED Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441057 PAYBBKHTWBVVAE-PDEZOQIOSA-N 435.550 0.993 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1 1837446946 KXCRHKSGBKZVTE-QDAQPVAASA-N 431.537 0.977 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249097 KDQVESYONJOOTN-QHCPKHFHSA-N 445.491 0.989 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838737552 YXJOHTLBTBVOSR-NRFANRHFSA-N 425.445 0.674 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c(Cl)c1 1839196205 HDLZEXYAMNDLSN-HXUWFJFHSA-N 437.880 0.291 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n(C)n1 1839227132 KEBCSBZNTKKFNZ-HRAATJIYSA-N 435.525 0.853 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273574 JYANAWSPAFIUDM-VFNWGFHPSA-N 449.460 0.962 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1839450800 HNDWDBKYQZEASQ-WZONZLPQSA-N 440.500 0.463 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839806263 HUJMYVYYUBBXIT-JKSBSHDWSA-N 435.521 0.769 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)C2)C1 1839806468 PSZROILTDKIWFJ-SBUREZEXSA-N 447.532 0.866 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839857297 OYWRUQHOHGQORW-NRFANRHFSA-N 433.892 0.284 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)c3F)CCO2)C1 1840791984 OQHKULMYCCKDST-AOMKIAJQSA-N 434.464 0.943 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1840818297 VIKGDIGJCJBHLK-FOIQADDNSA-N 443.566 0.630 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1841748500 AHDINPGOUKAWRG-CABCVRRESA-N 433.513 0.907 30 20 ICED O=C(NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)c1cccnc1 1844299111 BZTNRZUYJFVDEA-BBMHEYIBSA-N 429.477 0.544 30 20 ICED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)NC(=O)OC(C)(C)C 1845067377 NSPWKEPRURELRG-IKGGRYGDSA-N 436.553 0.772 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1846415828 RZMGGAAQVBZQID-IEBWSBKVSA-N 426.517 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/C(=O)NCc1ccccc1 1847259133 WGYQKGGBLVPTGP-WSYFYLNRSA-N 436.512 0.919 30 20 ICED Cc1c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cccc1N1CCNC1=O 427215060 HQCGZYKTZDSRDT-UHFFFAOYSA-N 428.493 0.538 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)C1=O 440274076 GQAZFVONGTXTDA-GOSISDBHSA-N 428.489 0.651 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1OCC(F)(F)F 440380811 KIHVLFDLQPEMCY-GFCCVEGCSA-N 434.396 0.717 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 442915600 XQUQKCNXPZPJND-UHFFFAOYSA-N 434.543 0.973 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 443309806 HRFALGZLSGQZEI-UHFFFAOYSA-N 426.442 0.172 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(CCN(C)S(=O)(=O)N(C)C)no1 460743142 MEODXMIARIBLDW-UHFFFAOYSA-N 432.510 0.667 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 467639021 UNUZMANTSLLHCX-UHFFFAOYSA-N 435.488 0.741 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCCn2cnc(C#N)n2)c1 477535681 WOHCTDSUWAPDFP-UHFFFAOYSA-N 448.509 0.058 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1N1CCN(C)CC1 481170789 KITBJAZDGZPYQD-INIZCTEOSA-N 442.545 0.688 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(c3nc(N)ns3)CC2)c(C#N)cn1CCOC 481435634 AFTHFBCJFMQVFH-UHFFFAOYSA-N 448.509 0.971 30 20 ICED COC(=O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 481513837 YETGDIRACPZPJL-AEFFLSMTSA-N 448.545 0.665 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 484980180 ZAQYSLLETLSYCY-AMMHQNNLSA-N 429.502 0.523 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 486708398 FVLOGTFLFCVTMD-NVXWUHKLSA-N 431.424 0.758 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508803875 ZWWXHXBJTVTHIJ-UHFFFAOYSA-N 426.481 0.285 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508840500 LICLWLNISMZMAD-WBVHZDCISA-N 447.565 0.423 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 508964406 UFAXLDMLILPALM-UHFFFAOYSA-N 449.423 0.056 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCN1Cc1ccccc1 513039575 BELXFXFJJUIEQC-LJQANCHMSA-N 448.483 0.077 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3sccc3C)c2=O)cn1 523180500 TZDUGDMMTHPUML-UHFFFAOYSA-N 443.554 0.751 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 525691577 MGVWGNVPJBDPIO-UHFFFAOYSA-N 435.481 0.913 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 550544260 SZGKPGSJEPIZHM-HNNXBMFYSA-N 431.460 0.664 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554135096 DEIACHQKVMDNMS-GUDVDZBRSA-N 439.516 0.539 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1=O 556984208 CNHJSOWJZDMNIS-XLIONFOSSA-N 428.533 0.769 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)o1 558474027 FQFBPJJCWGHIOH-UHFFFAOYSA-N 425.444 0.545 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 569349160 DGZVWTWEUXXXIV-UHFFFAOYSA-N 440.592 0.736 30 20 ICED CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 571954328 QMYFXPCQCQQBFV-IBGZPJMESA-N 434.500 0.967 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)cc1 573452739 AYKVCDWTBANPRW-UHFFFAOYSA-N 427.549 0.821 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 585774163 NROCCFRQBSEQKW-UHFFFAOYSA-N 427.505 0.107 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1ccccc1 588762526 PMPSIURJZKHWNY-VQIMIIECSA-N 432.484 0.912 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 589326289 DYCNHIVSQRQPKS-UHFFFAOYSA-N 430.486 0.668 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609359089 NMDGRWGPGPWPRB-UHFFFAOYSA-N 427.509 0.302 30 20 ICED CS(=O)(=O)c1ccccc1C(=O)NCC#CCNC(=O)c1ccccc1S(C)(=O)=O 680340119 WFORTYPXDLLLFC-UHFFFAOYSA-N 448.522 0.657 30 20 ICED C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)CCC#N 728922651 RPHOGRBYEWCOGM-MRXNPFEDSA-N 437.518 0.944 30 20 ICED COCCN(C(=O)COC(=O)c1ccc(C#N)cn1)c1c(O)nc(=O)n(CC(C)C)c1N 730894723 VTGDWOBIOPTWNS-UHFFFAOYSA-N 444.448 0.290 30 20 ICED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732441693 OGBRZZLVYSVLMP-FBKQIBBUSA-N 426.477 0.067 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1(C#N)CCC1 736843926 JMWIOBJWJVBQFS-UHFFFAOYSA-N 437.474 0.892 30 20 ICED C#CCCN1CCC(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 740736942 SPJMTGKDMOSRBU-UHFFFAOYSA-N 449.573 0.863 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(N)nc(Nc2ccccc2)n1 744026263 LSACNEBPPNULTI-NHMWIVBRSA-N 447.455 0.926 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749770983 HJDVUEFKLOYDRA-UHFFFAOYSA-N 443.471 0.943 30 20 ICED COc1cc(OC)cc([C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763400049 JTDULLFKYKRGMD-SFHVURJKSA-N 436.428 0.944 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(=O)N(C)C)cc1 764980260 BYBNXYRJOJSKNV-UHFFFAOYSA-N 435.509 0.426 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(=O)N(C)C)c2=O)cn1 767884055 JVZJDJOCTPDBAD-UHFFFAOYSA-N 441.557 0.867 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccccc3)c2=O)cn1 772282004 FOYPZHRDHHXSAG-UHFFFAOYSA-N 435.509 0.852 30 20 ICED COc1cc(OC)c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 790113216 SLXNOPVHZPVZOM-UHFFFAOYSA-N 439.472 0.944 30 20 ICED C#CCN=c1nc(N(C)[C@H](C)C(=O)NC(C)(C)C)[nH]c(N(C)[C@H](C)C(=O)NC(C)(C)C)n1 804623833 XEQZBPDDZFULHV-HUUCEWRRSA-N 446.600 0.817 30 20 ICED C=C[C@@H](O)C(=O)OCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 814546449 CNNGHTOAXVQVIP-OAHLLOKOSA-N 430.461 0.659 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1C 839014181 ZFOBVDKFWZEFOY-UHFFFAOYSA-N 437.525 0.515 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1=O 861829988 VEPNOSRMNVJLCQ-OAQYLSRUSA-N 444.492 0.948 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1Cl 914652760 HBPDBRXXYQSNGD-GXTWGEPZSA-N 439.877 0.729 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 916622083 QATNLDHWBVDRFK-HNNXBMFYSA-N 437.474 0.181 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1 916675820 YODPLOFERQMUBZ-UHFFFAOYSA-N 434.499 0.416 30 20 ICED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 918985889 CTXHXPWRJKGTAU-INIZCTEOSA-N 436.490 0.162 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 1190304424 ZHWQERZTNVOPOT-UHFFFAOYSA-N 440.956 0.490 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCO[C@H](C#N)C1 1318328075 SUIZNGVZRZDMOE-MYGHVRAUSA-N 441.531 0.131 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 1324255137 JBWFUDQMZCDDHN-CABCVRRESA-N 427.486 0.459 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1504411093 OJMSTMBLUDSLPA-INIZCTEOSA-N 434.522 0.498 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](F)C2)C1 1555813323 MOIHQROLCACKLK-QXSJWSMHSA-N 442.517 0.478 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)c1 1565265694 TYACGCROGGCSIV-FQEVSTJZSA-N 427.553 0.581 30 20 ICED C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1612819452 YEJXBSMSZSJDCG-BRWVUGGUSA-N 439.586 0.834 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1709901224 XZTJMJBVHBOVOA-UHFFFAOYSA-N 431.522 0.377 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1710468506 VILHIXAOYGMNFT-ZWKOTPCHSA-N 426.543 0.609 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1711234634 OKRQLZRKVJSZDU-UHFFFAOYSA-N 437.547 0.875 30 20 ICED CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747559069 SBTYZBGQKKBAIZ-ARFHVFGLSA-N 434.522 0.805 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1761502557 PRYPJKCJCMKDEZ-RHSMWYFYSA-N 446.533 0.795 30 20 ICED CNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1767642080 JBZVUMYELIUTKH-SJORKVTESA-N 444.517 0.317 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444924 DONISJOHWLHAII-PEAZMPFGSA-N 442.476 0.702 30 20 ICED O=C1NCc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1779018774 GNRVATVJJFUKDB-HBAGGBEISA-N 439.516 0.845 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779019525 ABUULIIKZUYCHY-VRZFSWRYSA-N 428.533 0.892 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C1)CCC2 1779021212 KBIGONCGFUXYES-ZZAWEDPDSA-N 428.537 0.824 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1779063377 WSWGYSMPCSKYAF-JOCHJYFZSA-N 430.505 0.883 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103172 NRWQNOFSBIKGHC-VDPXPTJFSA-N 429.539 0.504 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058270 UIBYAYZUEJOEPU-FQEVSTJZSA-N 429.502 0.452 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781391076 NULJQCLRKPFRTD-XHDPSFHLSA-N 441.378 0.972 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CCO2)C1 1781401114 VCOHIMICFPHPDS-PXWIGAEESA-N 439.538 0.420 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130830 OKICNLXKVFBNFN-DENIHFKCSA-N 438.488 0.893 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C(F)(F)F 1783201049 QJZNFDKVRGKASP-WFASDCNBSA-N 427.445 0.263 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783491807 OEEQEALLVIYRNE-JKSBSHDWSA-N 435.521 0.912 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564838 NMLFLCOFPADKLU-YCRPNKLZSA-N 435.477 0.161 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccc(Cl)c1 1783565284 JMJVCEVWLHQHFM-CTNGQTDRSA-N 447.875 0.435 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784384953 AYHFVHNUVLQYCF-OKYOBFRVSA-N 449.548 0.655 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1784503634 AEHVOXZLWHRELY-WNHJNPCNSA-N 427.505 0.843 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622261 XKDJZGPHRAUFOT-ZIAURCNTSA-N 429.477 0.849 30 20 ICED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)no1 1785273174 ITKMCFDVYWTXLV-GETUGTSYSA-N 435.481 0.429 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccc(O)n1 1786047146 SAOUQCZLVOXPEG-PPYUBFJKSA-N 432.477 0.910 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1)C(F)(F)F 1790590052 STRJKFAENBACSQ-AVGNSLFASA-N 430.383 0.659 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CN1 1790857644 IJPSZXJDFZWGAR-UZIBTJFGSA-N 431.514 0.603 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834835 DQYYWXKMJWUWOW-CWPLJXCYSA-N 448.596 0.179 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)c(=O)[nH]c1C 1794308403 BOWHFQOHRHDGMR-OPVJXMOQSA-N 435.484 0.704 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1795598098 FIRDWJGICSBGIA-JLVBRIDZSA-N 426.477 0.708 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CN)c1ccccc1)C2 1795598593 LKASRIJQLVCMNF-YRPNKDGESA-N 427.549 0.600 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632311 HLCKGASTGBIVGD-CLWJZODNSA-N 436.629 0.220 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1797742040 CCMWNTQAGRXBBG-BAFQNWIYSA-N 425.493 0.404 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1797742372 RRVZCTFHTJTNGN-KXJCPHRKSA-N 425.493 0.404 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783199 IBGGYAVHEBHGGG-IIZPIQPGSA-N 440.544 0.240 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1797811727 GJIDMPBMTKOEKU-PDJFEZEYSA-N 442.476 0.462 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815005 GQSBGRHXMOHRMF-OJOLTUEWSA-N 438.525 0.410 30 20 ICED CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nn1 1798707000 AFLRXLVOJHZAFG-UFVVLBOUSA-N 431.541 0.708 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccncc1 1800187329 CRPFAYMOLHJEKH-GATNBAKJSA-N 426.517 0.708 30 20 ICED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801446904 AIAHFUZTVZDFEF-BQJWPVKWSA-N 432.546 0.218 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1 1804857879 MHSSWKUWDHZXTI-WAYWQWQTSA-N 425.551 0.511 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)C1 1806002406 APXCWKMERJCFDT-VQIMIIECSA-N 436.505 0.751 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)N1 1806815374 KJVGXGAJGKQNBA-COUBCLOHSA-N 443.504 0.895 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809596762 ACJCIVJJPCZHFE-KAGYGMCKSA-N 429.565 0.926 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810220767 UJXRSTOHTDZAPV-YJBOKZPZSA-N 425.493 0.245 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810347315 DNYJYFRMRBVAAN-WKRCXCSHSA-N 436.578 0.692 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2ON=C(c3ccccc3)O2)[C@H]1c1cccnc1 1812880421 KEHZRGGAKBMGRK-NYDSKATKSA-N 448.435 0.910 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814483283 ZAUUXAZKRQKRIN-SWLSCSKDSA-N 441.517 0.829 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822922669 YNXPAUKVHGNXCZ-NEPJUHHUSA-N 437.522 0.157 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 1826601677 DGKWVVMNFRTOOT-SZZPACECSA-N 429.506 0.595 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828517950 LIODWCMHDLZDHS-JOCHJYFZSA-N 444.488 0.299 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cc(O)ncn3)C2)C1 1829260240 JYBVLWGJCNUYOR-HSZRJFAPSA-N 449.467 0.881 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cnn1C 1829900531 HBQOSEYXRZNKMW-QHCPKHFHSA-N 437.500 0.913 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1830461566 PTHZUPSJTOFQNC-JOCHJYFZSA-N 440.456 0.955 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1)C(F)(F)F 1830955884 QQEKRDGYPOWCHH-GOSISDBHSA-N 430.427 0.846 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831871613 BBDFLYQBOUUCBO-MHRHTVJOSA-N 432.525 0.270 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2)C(F)(F)F 1832167668 ZQHUSCPMVTVTKY-KBPBESRZSA-N 434.333 0.875 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833129723 ICDOMMJPWBHEGL-QHCPKHFHSA-N 443.548 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3nnc(C)s3)CC2)CC1 1833464792 UIGPFEVTWCJHRF-HNNXBMFYSA-N 433.578 0.999 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1)C(F)(F)F 1833765005 QBFYQBZCTFNVRB-CQSZACIVSA-N 445.442 0.275 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918210 KWBBXEJIWZSSND-MRXNPFEDSA-N 443.548 0.957 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1834756197 UWGTZAHAAHHMJU-XYXUZSOXSA-N 426.473 0.229 30 20 ICED Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)o1 1834832085 LCJDZMACOYZHBK-UHFFFAOYSA-N 445.568 0.774 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836966598 FPPWHVALFKDFNA-JOCHJYFZSA-N 448.520 0.718 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837118476 ZSZMETDTVUJFKR-OAHLLOKOSA-N 442.463 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838243303 UAWRYXLPPJWOBA-QEVIJRNUSA-N 432.452 0.149 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423184 GWKMRTKFIMTWSI-XLIONFOSSA-N 433.534 0.754 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838737900 DXSZBNJGXZDDRV-NRFANRHFSA-N 441.492 0.617 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)C)no1)CCO2 1838770624 RMZRARAIDQGLCY-LXHZQTKUSA-N 446.504 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)c(O)c1)CCO2 1839265345 OAUINFFNHSRFOC-FUMRIQNTSA-N 443.500 0.629 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420185 UBMZXFCISHMQRK-FQEVSTJZSA-N 428.424 0.210 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839780844 XCDXASMLAXVVAH-XLIONFOSSA-N 444.550 0.003 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275249 CTMJQHMWWLCFRA-GHQDRPGLSA-N 425.526 0.795 30 20 ICED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840522988 BFVUYTRFZAJNBS-JJTSJLALSA-N 427.498 0.398 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716023 RBUXGFIGVDWJRA-PNLZDCPESA-N 428.489 0.518 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n1 1840819213 WJUZYZMTYATSNP-JOCHJYFZSA-N 439.472 0.441 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1840908491 BWBRXQHYAQWYFA-KKSFZXQISA-N 439.509 0.006 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841598273 ZXVQJALJICOZAK-KZNAEPCWSA-N 449.548 0.846 30 20 ICED CC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1845992154 OBZUEEKQEPBTCS-OAHLLOKOSA-N 442.582 0.928 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@@H](F)C1 1846194792 PWGORHCGEFYQAK-CABCVRRESA-N 437.468 0.873 30 20 ICED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1846370107 WOKNMKSAWPQRRS-LLVKDONJSA-N 436.559 0.363 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CS(C)(=O)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449153 TWEXQPFREZJKPD-HNNXBMFYSA-N 441.550 0.800 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)c1ccc(O)cc1 1848033746 QNFUPXOHHZEQFG-NEWSRXKRSA-N 438.484 0.643 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1=O 410120231 PNTOBWOULUKBRR-KRWDZBQOSA-N 437.518 0.575 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 437716162 JJKSNVGJIQEMSC-HOCLYGCPSA-N 439.476 0.467 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)C1=O 440252940 HFDOZIWLJVQQCR-QGZVFWFLSA-N 444.488 0.351 30 20 ICED C=CCN(C(=O)NCc1cn(CC(=O)OC)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 441527743 ZKAYIXFUWIZBKJ-CQSZACIVSA-N 425.453 0.886 30 20 ICED N#Cc1c(F)cccc1-n1ccc(=NC(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)[nH]1 446265906 HXGRTESDIWVJKX-UHFFFAOYSA-N 438.423 0.426 30 20 ICED CN(CC(=O)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1)S(=O)(=O)c1ccc(C#N)cc1 461946055 YVSYBRQLOORJMJ-AWEZNQCLSA-N 430.490 0.407 30 20 ICED CCN(C)C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464793901 PXDQQOWIQRYSQO-GOSISDBHSA-N 433.578 0.665 30 20 ICED Cc1noc(Cn2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2=O)n1 486017964 OJQKUZQHQBHKMR-GOSISDBHSA-N 432.440 0.991 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 489005227 CSRSJKWIAKASEX-GDBMZVCRSA-N 428.514 0.414 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC(F)F)c3)c(=O)n2C)CC1 489174749 JOUZKGHBDCRDMG-UHFFFAOYSA-N 448.495 0.715 30 20 ICED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1 495272962 SAORPQMDSASAAI-MRXNPFEDSA-N 429.506 0.527 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 498977588 HYXXWDPPGRPEJE-SESVDKBCSA-N 448.589 0.714 30 20 ICED N#CCN1CCC(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 500638388 VSYFBXWSKADGJQ-UHFFFAOYSA-N 426.564 0.663 30 20 ICED CN(CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 500781054 MZUHARUZECPFER-QGZVFWFLSA-N 427.530 0.874 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cccc(OC)c1 505667347 YRPDXZCZUWXYGL-UHFFFAOYSA-N 437.525 0.979 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)nn1 507049844 GQHXMWDWONTEKD-MRXNPFEDSA-N 449.475 0.274 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Br)ccc2N2CCOCC2)n1 508345154 CXYPHLMQDCRKHV-UHFFFAOYSA-N 448.281 0.504 30 20 ICED CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1Cl 508982371 RNTCMEXYVIKHRE-UHFFFAOYSA-N 429.886 0.065 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(N)=O 516119603 XBLLFPYNESTESP-LLVKDONJSA-N 428.470 0.730 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 523036554 GHTHHEVYDXYDFS-UHFFFAOYSA-N 434.449 0.958 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC(C)C)c2)c(=O)n1CC(N)=O 535806531 FJEAPWDQQURZSC-UHFFFAOYSA-N 440.525 0.235 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 550333462 SPGWKVPPEDPWDI-OAHLLOKOSA-N 430.505 0.081 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2C)no1 550810621 KOLCPUFDTJXFCD-KRWDZBQOSA-N 449.475 0.501 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)n2)cc1 556389705 COYKWIBGVNNMDO-UHFFFAOYSA-N 441.455 0.752 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1Cc1ccccc1 557942552 BYVYAYDWMFCCMJ-FQEVSTJZSA-N 433.516 0.798 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccc(S(N)(=O)=O)c1 559444453 OMSKBDWNSXVULI-AWEZNQCLSA-N 442.501 0.127 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)CN1CCOCC1 565368124 UVVUWSLUKYHGQK-JOCHJYFZSA-N 439.472 0.883 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1=O 590428267 GKORXKJWSKBXBY-HNNXBMFYSA-N 427.461 0.299 30 20 ICED Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C)c1 609965193 IUZARSSPNVNGKQ-INIZCTEOSA-N 425.489 0.689 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725764973 GYWOYAMVNWJGBU-ZHRRBRCNSA-N 426.521 0.815 30 20 ICED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 727012634 KLIWICVOYYKREM-GFCCVEGCSA-N 430.442 0.506 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 728533918 CWZQTVBKIYSRBQ-UHFFFAOYSA-N 432.471 0.711 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H]1CCOC1 733721429 GEDIALOGUBOQLD-JSGCOSHPSA-N 429.520 0.519 30 20 ICED C#CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 734104579 OFSGFWPVQXAUNT-UHFFFAOYSA-N 427.482 0.749 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 735861198 YCIIIPULITVENF-CQSZACIVSA-N 446.938 0.878 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)cc1 747796369 DOOUCGQGGWXSOM-CQHJRZBDSA-N 440.547 0.422 30 20 ICED N#CCCN(C(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(Cl)c1 748425890 GZOCZBLYLJCKNA-UHFFFAOYSA-N 425.854 0.674 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 761025599 WGEVUKAJMNTTAZ-CQSZACIVSA-N 433.303 0.200 30 20 ICED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)C2 762516840 TWRGRQAZCMPOBL-KQWNVCNZSA-N 445.505 0.380 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1sccc1C#N 762940310 HUVYFBUGYBJMLI-SNVBAGLBSA-N 436.471 0.567 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 766989369 BSDFYSVLGOIIPA-UHFFFAOYSA-N 428.426 0.737 30 20 ICED Cn1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(-c2cc3ccccc3o2)n1 771892303 PROROGMGAZGQNR-UHFFFAOYSA-N 442.457 0.543 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 785047359 XBNHEHVZZTYEDB-CJLVFECKSA-N 433.494 0.236 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccnc(C#N)c2)cc1)S(C)(=O)=O 793771602 ACFPPPHHRFXOGQ-UHFFFAOYSA-N 438.487 0.488 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 808237894 JZXVSNUGCCIQFX-GOSISDBHSA-N 431.456 0.270 30 20 ICED Cn1c(S)nnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 810396093 YKXFWQBWFPVPSP-LBPRGKRZSA-N 437.489 0.901 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 813947095 WLVKGYLEBZIRIJ-UHFFFAOYSA-N 432.458 0.869 30 20 ICED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813982559 MQMUJFYSUOLPIM-HNNXBMFYSA-N 439.494 0.424 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 813983505 BBOKHRHQKMEYIR-UHFFFAOYSA-N 449.242 0.817 30 20 ICED Cc1nnsc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815732710 VGDRIPPTZPVOMR-RCCKNPSSSA-N 436.519 0.914 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCN3C(=O)CNC3=O)nnc12 914615350 CIKLHSYAKGRMSZ-UHFFFAOYSA-N 442.457 0.417 30 20 ICED COCCN(C(=O)COC(=O)C(C)(C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 915791048 GQRGLIFHHBVXFM-UHFFFAOYSA-N 443.460 0.652 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 917018489 OMPGLLSWXQECDT-QVKFZJNVSA-N 425.445 0.756 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1288826886 WPPVAPKFKBIARB-BBRMVZONSA-N 430.506 0.262 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1288826889 WPPVAPKFKBIARB-XJKSGUPXSA-N 430.506 0.262 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCc3c2cccc3S(C)(=O)=O)c1=O 1338348018 PXKUKYHVVMYFJN-UHFFFAOYSA-N 432.502 0.358 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1360680781 IKLKNXLVXPCZCG-JCURWCKSSA-N 426.474 0.831 30 20 ICED Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1510867229 RYSQUBADUKYCRO-MRXNPFEDSA-N 434.460 0.710 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1541988015 KQZJCXSPFKLYSH-OXQOHEQNSA-N 449.581 0.926 30 20 ICED CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)CCn1cc(C#N)c(O)nc1=O 1596010312 YUHZIOWVFIYMDR-NSHDSACASA-N 425.371 0.585 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1727225307 OUSTVDDBSKAWMB-ZWKOTPCHSA-N 431.541 0.788 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729225887 CANSRHWVXMFIJD-GOSISDBHSA-N 444.565 0.380 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2(O)CCOC2)cc1 1731184410 AAVVEFZJQNMJAR-KKSFZXQISA-N 426.477 0.582 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CCO1 1771537363 MYNUKXKASYCQBU-JKSUJKDBSA-N 436.538 0.312 30 20 ICED COC(=O)C12CCC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(CC1)CC2 1778305957 HXUAEMUSPPEISE-HRTMPFAESA-N 432.473 0.418 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779077093 WDJWEBTZGFNEJB-CRAIPNDOSA-N 432.420 0.523 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)[C@H]1SC(=N)NC1=O 1779137476 ZLZYJICSIWGWPD-VOJQKXQNSA-N 447.517 0.331 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)N1CCN(C)CC1 1780180887 HGAWGLJPTIEKEB-HCLVMJGWSA-N 442.564 0.650 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780804104 NXSWSMYYGAZAQK-NWUWZPLHSA-N 440.541 0.452 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782961752 WUMFFZGSFAGVIS-NQIIRXRSSA-N 447.513 0.588 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3CCN(C)CC3)[C@H]2C1 1783650251 BEZATWNYYFDRAQ-GYMRMKKLSA-N 432.565 0.556 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686056 HMMCFVVBUGXYTI-SIKLNZKXSA-N 442.553 0.725 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783896509 AOJKKCJQJWDBQK-GXNBUGAJSA-N 443.566 0.505 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1784013061 FNOYYRUIKPSACN-CVDCTZTESA-N 427.501 0.855 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)cn1 1787249483 KHGPLBYFXNCHTM-SZMVWBNQSA-N 434.518 0.523 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c(O)cc(O)cc4O)C[C@@H]32)c1 1789344775 DZRIWZWBQBHLMR-YEWDVWPNSA-N 426.429 0.910 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)[C@H]2C1 1791067224 LSUVNBHVVSPMJV-YKPCMBIXSA-N 447.532 0.624 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(F)(F)F)C[C@@H]21 1791074402 ZOVKWIAUULRDLG-WHOFXGATSA-N 425.363 0.782 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1793340797 OMQUPMQEBGZSBP-IHSNIMORSA-N 443.525 0.691 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCNC(=O)OC(C)(C)C)C2 1793349657 FTZSUNTXIKSGDQ-VXIBKDFQSA-N 437.537 0.919 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)c(O)n1 1794205824 TVURFGWMNQELKV-JYYAWHABSA-N 441.488 0.756 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1795083648 JKTPSILPBIJVCI-YVWYUNDQSA-N 434.456 0.614 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795598178 FDAJYWJQMSCEET-CWPLJXCYSA-N 429.521 0.504 30 20 ICED C=CCO[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 1796298667 AURFLEQGVCZFPZ-KSWRQPAISA-N 441.525 0.053 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797808361 CJBSGEIROAHWKF-SNIGYFDUSA-N 446.504 0.751 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798376410 CQUKVDSIUVUWJE-LXTVHRRPSA-N 431.493 0.417 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ccc(OC)nc12 1798483921 UPSAYJZMMORSQV-BKEDOTJMSA-N 426.473 0.813 30 20 ICED C=CC[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 1800491118 OLBFGKPPIXEVQR-FQRJBHLQSA-N 430.505 0.795 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)NC(=O)OC(C)(C)C 1801928100 JXTYZNMHXRPXDR-IVSAIRAKSA-N 448.524 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1802480351 FTLWXDMGRHRJNO-AQZVRURSSA-N 444.561 0.963 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803336773 HDODJWRUYFIXJS-IEBWSBKVSA-N 442.520 0.821 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)C2)N1 1806847645 BATJUWIQUYLHSZ-OUMCLCAJSA-N 449.508 0.345 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CSc2ncccn2)[C@H]1c1cccnc1 1812880164 YCIFUYBLOFSWLT-BEFAXECRSA-N 425.470 0.758 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880913 TWHQRDCFJFINFW-PGRDOPGGSA-N 447.488 0.245 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1814022427 VIGBUNLMKCFYIV-QGZVFWFLSA-N 442.541 0.393 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1814199509 YUSZTBLPPGUPEZ-NBCNXNJRSA-N 448.479 0.994 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)c1 1814767553 CSTOARJPJBUYGZ-ZDUSSCGKSA-N 449.429 0.965 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)ON=C(C)C)CC2)C(=O)O 1815085782 LWJAMZFMJWTKKB-GMXVVIOVSA-N 425.511 0.919 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCCNC3=O)n[nH]1 1818977257 ULJXTTXTILOFOV-AWEZNQCLSA-N 439.432 0.134 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2nccnc2C(N)=O)CC3)CCC1 1828014921 XKXNETTYDSHILN-SNVBAGLBSA-N 425.474 0.952 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834326374 AHKZTMNTVUTEEN-WGAVVDLZSA-N 435.481 0.019 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)CCO2 1835185545 LICKNNXIGNOAHR-OAQYLSRUSA-N 436.530 0.801 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835674733 FQFPOCKHMZVCSJ-QFIPXVFZSA-N 446.552 0.238 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837397251 NYGHTFXMZVHDEJ-SCLBCKFNSA-N 434.436 0.126 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837399142 NJWICMPCQDBWJE-AUSIDOKSSA-N 446.548 0.863 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563321 WHLBSODQFGKNCO-YVABFXQFSA-N 443.504 0.994 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732792 ZZFIKAFIFXBZEV-OAQYLSRUSA-N 440.460 0.459 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1839174041 BTCWEUFRNZXPTE-XMSQKQJNSA-N 448.520 0.485 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839227481 SAEXEWAZLGCYID-LYBQEQRRSA-N 437.541 0.715 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)C1 1839384492 IYABPTMRFCTCHO-IIBYNOLFSA-N 439.509 0.252 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5C[C@H]5F)C4)C3)c2c1 1839489022 LRTPKZCETDIKKN-CMPZQBNXSA-N 427.436 0.863 30 20 ICED Cn1ccc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c21 1840042585 CGOHQGKOMIKPIS-JOCHJYFZSA-N 425.441 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840580007 ZQDSAUMMPFHDMZ-JXFKEZNVSA-N 426.535 0.848 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1840712255 BQGYUQALJSJZAY-QZMQVMSPSA-N 442.516 0.895 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1840714471 VACDMPUDRBYOND-VGSWGCGISA-N 438.488 0.675 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842738156 QKAYSZLTLHWLFZ-ZCCHDVMBSA-N 432.521 0.938 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 21318192 UQAMMMMGRIZEEF-UHFFFAOYSA-N 427.486 0.602 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 410388738 RQMHMBYDHRKDFB-SOUVJXGZSA-N 430.527 0.012 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)n2)c(F)c1 427699030 VRHAWRNMIBWHIX-BAGUOTJOSA-N 447.470 1.447 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 430391674 GVVTZQOJJRJATD-XLIONFOSSA-N 444.536 0.059 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 433069683 SQSMNFCGBPODMS-IBGZPJMESA-N 437.566 0.337 30 20 ICED N#CCCN(CC1CC1)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 439327590 IQMLUGBJHBLLGI-IBGZPJMESA-N 426.473 0.792 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O 440260294 MYRFLXIGRKQIQI-GOSISDBHSA-N 427.505 0.572 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C1=O 440277365 PAZHZYSDEVKOIT-MRXNPFEDSA-N 436.534 0.947 30 20 ICED CCCc1c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cnn1-c1cccc(C#N)c1 443730464 GLTAVTOIQKRCDM-UHFFFAOYSA-N 444.517 0.787 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 444607366 IQHQZMBGPXMJKZ-KRWDZBQOSA-N 436.896 0.967 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 465421977 MKSAKPFFEBLWQD-NSHDSACASA-N 427.852 0.776 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1C 467553370 ZQJXKDPSOKBJFS-CQSZACIVSA-N 443.525 0.806 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 487972065 LTRRHWMRNJWTIM-RBUKOAKNSA-N 443.614 0.051 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2CC)c1=O 489028926 SCLUPXFDPGMXBI-HNNXBMFYSA-N 430.530 0.661 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 490284353 LFWCKTGGZJNXPL-SFNQZPIRSA-N 449.558 0.959 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCCSC)c1=O 512776870 VKRDYNFWFSBENE-CQSZACIVSA-N 449.602 0.533 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 525265696 QIUWHVUNZQYWDG-UHFFFAOYSA-N 448.504 0.393 30 20 ICED O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 533461912 KOLKOEWOUAEJEO-UHFFFAOYSA-N 449.492 0.910 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C 539204610 ADIXBJARPIGEAP-ZDUSSCGKSA-N 425.449 0.539 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541175909 JRKNJKSPXXTUNZ-UHFFFAOYSA-N 438.897 0.780 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 543420511 RLDOHAUPGJWXLH-UHFFFAOYSA-N 437.499 0.897 30 20 ICED COc1cc(C(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1OC 548433392 AYVOFRXNPFXBFV-UHFFFAOYSA-N 430.465 0.710 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCc2nnnn2-c2ccccc2)n1 549678572 HJDAMTPEOQFVIL-UHFFFAOYSA-N 445.418 1.156 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 553869295 KXRDVRDTDKBZKX-JTQLQIEISA-N 437.341 0.515 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 556386876 JMQHPANCGAYODD-UHFFFAOYSA-N 436.472 0.708 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc([N+](=O)[O-])c3)n(CC(N)=O)c2=O)nc1 557615119 RXDNRRQFPYRNPR-UHFFFAOYSA-N 449.448 0.393 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCOCC1 559552054 QPUISAPNASRRRO-SFTDATJTSA-N 427.549 0.696 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 561862445 YSJJNYXKWPRKGO-SPYBWZPUSA-N 437.508 0.664 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)n1 564478720 DXHMMRPOROVJMP-UHFFFAOYSA-N 430.472 0.217 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 568657463 SRLJRBUQDIZZTE-KRWDZBQOSA-N 428.541 0.624 30 20 ICED Cn1cnnc1C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 572556584 SUOQJQKPAXPSMU-SFHVURJKSA-N 435.488 0.705 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)cn2)C[C@@H](C)O1 575198331 FAJNXQHGBQGOHJ-IYBDPMFKSA-N 441.463 0.764 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 580737181 VMOCYQBVULUQSP-NRFANRHFSA-N 446.511 0.909 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 581459132 DDHRGDGINRALHE-OAHLLOKOSA-N 447.459 0.606 30 20 ICED Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4cncc(C#N)c4)CC3)C2=O)n(C)n1 581972203 AUEGQXUHPVKDPX-SFHVURJKSA-N 443.533 0.497 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 585708396 RCUDZKVBQFLLIG-UHFFFAOYSA-N 448.409 0.639 30 20 ICED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 588214509 HSMFOGIZNZBQNY-HNNXBMFYSA-N 443.460 0.719 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604120030 WYMNDICGCSBYLP-UHFFFAOYSA-N 445.566 0.849 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C 604269963 KXFVZMJJIFVGDM-UHFFFAOYSA-N 430.505 0.412 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccncc3)c2=O)cn1 608884549 LWRHRILQXBMBLY-UHFFFAOYSA-N 435.509 0.973 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 609686346 BSJCNHCRUFXAJE-QFIPXVFZSA-N 426.565 0.792 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610798970 SERNQHHUXQUXOE-CQSZACIVSA-N 442.563 0.593 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)cn2)cc1 615310864 BUBMITHACWDJFB-HNNXBMFYSA-N 429.458 0.964 30 20 ICED COc1cc(OC)c(N)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 726208372 YASVGZVGVYOXFI-UHFFFAOYSA-N 429.433 0.960 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 728530896 YBFJEVDJGXIBSV-UHFFFAOYSA-N 426.498 0.975 30 20 ICED CS(=O)(=O)c1ccc(OCCCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910451 PWRYUOVNVMRPBZ-MRXNPFEDSA-N 442.515 0.215 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CC(=O)N(C)C 733163596 OTVUZLWUOJPEQN-MRXNPFEDSA-N 438.550 0.847 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C(C1CC1)C1CC1 734828279 OYXNEQFHUSUGMJ-UHFFFAOYSA-N 441.557 0.660 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2Br)c(=O)n1C1CC1 735294590 AQWYNRXAWIDKCY-UHFFFAOYSA-N 438.303 0.866 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 748526522 KQWDAFAIXOSVDN-QNGOZBTKSA-N 447.473 0.415 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748846975 UGLKAZUNGQULBI-UHFFFAOYSA-N 427.442 0.239 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)cc1C#N 752377438 BHUWVLISDAYAJD-UHFFFAOYSA-N 439.494 0.853 30 20 ICED N#Cc1cc(F)c(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 756592790 PWVIMTNJJKBPAB-ZDUSSCGKSA-N 427.429 0.325 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 763425120 FOLWYCDCMUXBJA-QZTJIDSGSA-N 434.456 0.987 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 767627760 BSQSVDXROBLMQK-LBPRGKRZSA-N 441.487 0.812 30 20 ICED Cc1nn(-c2ccccc2)c(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771899065 XTOBBQDGQTVUMR-UHFFFAOYSA-N 436.881 0.544 30 20 ICED C=CCOc1cccnc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 775114355 VRITXKCEFIUWGN-JKSUJKDBSA-N 438.502 0.998 30 20 ICED C[C@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCOC1 781294852 XMELVTXAXXLIRU-FQEVSTJZSA-N 435.502 0.751 30 20 ICED Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787789718 FFUFGAXJIUOSFY-HNNXBMFYSA-N 429.502 0.768 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 789797127 PZWNEQGFVLWRTI-NGIIGVMLSA-N 447.517 0.177 30 20 ICED C[C@H](CC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 803597474 QNFPXWRIKZWUFM-IUODEOHRSA-N 448.467 0.883 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCCC4)O3)C2=O)cc1 806692871 JBRBCJNVHILGJZ-RTBURBONSA-N 440.500 0.967 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250708 XEPJTPLBFJYVOO-UHFFFAOYSA-N 435.456 0.068 30 20 ICED Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1304292955 YTWKWPUZVJVPKF-MRXNPFEDSA-N 434.522 0.752 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1314674674 WDGUECQWXFTCRE-GOSISDBHSA-N 445.549 0.229 30 20 ICED COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316110224 MZCMFLHANJTMOL-INIZCTEOSA-N 431.522 0.420 30 20 ICED COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 1525127666 ZKJIJANOCQSUEF-HZPDHXFCSA-N 446.508 0.854 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1541804458 WLWQRIJPDYADSY-HIFRSBDPSA-N 429.568 0.743 30 20 ICED C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N1CCOCC1 1611511985 UDEQHRFUUBUNNN-INIZCTEOSA-N 447.565 0.523 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1619598617 PGUKHTNIYJMBHF-OALUTQOASA-N 428.493 0.819 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)[C@H](C#N)C1 1632533152 OCRALQGGFXPZKP-OIISXLGYSA-N 434.468 0.721 30 20 ICED Cn1ncc(Br)c1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1643509320 WRDOKGOKTLSYRQ-UHFFFAOYSA-N 426.296 0.928 30 20 ICED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)cn1 1675541554 KVOBAIFRNPVTOW-FQEVSTJZSA-N 427.553 0.581 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690232065 YBKFLAQPIAVZCE-LBPRGKRZSA-N 432.344 0.932 30 20 ICED COC1(CC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1778142805 MEEXMUNSYHBOHQ-FQEVSTJZSA-N 436.509 0.756 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065491 UGCWSLFCKPMPEC-AVRDEDQJSA-N 429.521 0.443 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)Cn3cncn3)C4)c2c1 1781205117 YVEOQCFUGISWOF-XMSQKQJNSA-N 448.487 0.854 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)ccc1F 1781295547 NHQGETJTEBUBFR-NRFANRHFSA-N 425.420 0.879 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1784023513 VXSNOALPFLQSQG-VGOFRKELSA-N 428.489 0.387 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1784493892 BNUZHOSBOFKSLB-ANULTFPQSA-N 436.597 0.585 30 20 ICED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)n1 1785877065 UZFFRPHKTARUQW-ZVZYQTTQSA-N 426.452 0.662 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(Br)nn4c3)[C@H]2C1 1787148132 RPVPWVIPMNGHQO-IHRRRGAJSA-N 432.278 0.718 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1789955932 SVIOVSGXUVHMES-LLDVTBCESA-N 446.508 0.021 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426398 ZEYKSBNOAWAUBA-AAUAJYIVSA-N 443.500 0.696 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836700 UUHLOYJAWWMVEC-DFYYWFRZSA-N 446.935 0.989 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258929 WPRNNWNGTMVUKO-ZMMAXQRCSA-N 435.521 0.265 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)(F)F)C2 1793344169 JELGYEBKJFXICY-GUIRCDHDSA-N 428.411 0.680 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)cc1 1793610991 JKCHNQPWCQXCNU-FEJSZKPUSA-N 436.468 0.005 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1[nH]nc2ccncc12 1796212973 VWBLWGYDDWGRPJ-CWPLJXCYSA-N 437.500 0.860 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(F)ccc2n1 1797428478 BMBPRLABUFCORV-VQICEPBWSA-N 441.463 0.535 30 20 ICED CCNC(=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 1797700417 LKPOECLXGHLUMH-PJKMLTEKSA-N 445.495 0.537 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797783596 ZVQWONVBDVFWCV-MIFYACCESA-N 431.449 0.220 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)n1ccccc1=O 1797815664 SJRKZRDWUGRCPZ-ZWUUNFGNSA-N 446.504 0.528 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798771227 LWXVJYJZNSYFLO-JLVBRIDZSA-N 447.488 0.811 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)cc1 1799641827 CNMCUOYCYREGQW-HGKCTWBKSA-N 435.440 0.758 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1CCc2nc[nH]c2C1 1801268848 QOXBJUJRANSNKD-QSNWEANLSA-N 440.544 0.803 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801356351 XSTYNTNRYTYCBO-JYYAWHABSA-N 432.477 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803914100 XNXMZZDNBUSGRM-RADWXHQJSA-N 438.484 0.441 30 20 ICED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)C1 1804193617 YGAHQRVVJAPXFH-WIYYLYMNSA-N 446.573 0.784 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807951139 YEKUADODJSRANK-BEFAXECRSA-N 434.460 0.331 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1810565185 NGTQBKZWVSLEDM-QYZOEREBSA-N 427.505 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810864895 ZEMUIFSIOLRQSY-PLNGDYQASA-N 429.477 0.591 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)ccn1 1812877933 RTSMTEFHBXBDCC-UTKZUKDTSA-N 435.440 0.843 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829899050 RNERBNBBXNNQOD-QHCPKHFHSA-N 442.516 0.426 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1830210959 RPGVQHFWDZUWSI-AVRDEDQJSA-N 431.489 0.735 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830773146 ROJZKNHFUPQGJI-AVRDEDQJSA-N 437.537 0.437 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831188275 LQIWMMORBMSGSP-KSFYIVLOSA-N 428.489 0.543 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1831386513 HAGISWRLXAMCQU-YCRPNKLZSA-N 435.546 0.797 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1831399218 RTXJFCNAIUWYLJ-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831407417 YPBXWYYBUHMRJO-QFIPXVFZSA-N 449.504 0.449 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1831421961 XJRVLELEOQMELY-IERDGZPVSA-N 434.493 0.536 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831434677 FOENWDDEOVNPTL-LHSJRXKWSA-N 436.461 0.465 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1832456357 OOXISXOJGSHHHL-MRXNPFEDSA-N 440.440 0.468 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3c(C)cccc3C)C1)CCO2 1832544301 XABBZTNLNGNJHW-DVECYGJZSA-N 439.512 0.746 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cn(C)nc3C)CC2)CC1 1833074440 PEBCEUKBBLIJTE-WAYWQWQTSA-N 442.564 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833482469 NKBGSYIBPLZXBB-IAGOWNOFSA-N 441.594 0.277 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCc3cn[nH]c3)CC2)CC1 1833811240 ZTTKVXQXYHWKFP-WAYWQWQTSA-N 442.564 0.772 30 20 ICED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834338872 ZVHPTKZBJIJEKJ-QFIPXVFZSA-N 431.489 0.752 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834605599 JWAWUGKYJZRUGN-UHFFFAOYSA-N 448.549 0.327 30 20 ICED N[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccc(Cl)c1 1834732681 QXIGCQVCBLRRCZ-NRFANRHFSA-N 446.935 0.999 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834767949 SMUBUWNESMIXEE-JOCHJYFZSA-N 448.520 0.924 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835706780 REWRKHJALMDSJF-ZJSXRUAMSA-N 449.511 0.918 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041832 AJLMQHXVIRFQRB-PDEZOQIOSA-N 435.550 0.614 30 20 ICED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836823117 RLZGYEOSHCBENP-UHFFFAOYSA-N 427.501 0.714 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836873895 GGXZHKAUAIKXFU-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1837303299 PNOMEABGDVRCOV-VGOFRKELSA-N 432.521 0.819 30 20 ICED Cc1cc2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)[nH]c2cc1C 1837346909 HGGVKJKMXXECCT-JOCHJYFZSA-N 440.456 0.338 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1837392578 FATPFFNYIKYPQI-JTSKRJEESA-N 434.537 0.680 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837397838 WJOUFBIYWANHQI-QVKFZJNVSA-N 435.477 0.136 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838594914 CEBYTMBIDLHYNV-HXUWFJFHSA-N 434.880 0.418 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1839174873 BKIQKVMCWGJQIF-OAQYLSRUSA-N 435.452 0.800 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839224527 LSHHHQXZGIDUSM-LAUBAEHRSA-N 437.541 0.526 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(Cl)c1 1839423745 UGQKNEHIHUNAIY-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157659 XBBLWGYRKXFVKQ-AVYPCKFXSA-N 445.582 0.922 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840203843 XBHSMZSAZKAYMH-SFHVURJKSA-N 433.427 0.315 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1)C(F)(F)F 1840409777 DDXAWIJXUGLSHU-QGZVFWFLSA-N 430.383 0.430 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c32)C1 1842056062 JVJUBFXOXPFDLW-HNNXBMFYSA-N 442.520 0.969 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843998384 VAPDHLDFAXZLNL-UHFFFAOYSA-N 427.509 0.115 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1847000828 ZNFIZAJTJJVVJD-INIZCTEOSA-N 449.552 0.945 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1847069812 INQGMGVEFSKWHE-INIZCTEOSA-N 448.520 0.949 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 8630156 CFJDGKWMNHZKLX-ZIAGYGMSSA-N 439.490 0.653 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10453850 OYIJVOKYBVVLSY-UHFFFAOYSA-N 448.526 0.613 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410408649 UJKSRNLMHZLDJS-QGZVFWFLSA-N 426.514 0.913 30 20 ICED Cc1ccc(NC(=O)CN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 437130696 WONVGGIOGRKOQC-UHFFFAOYSA-N 431.456 1.542 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1N1CCCC1=O 446520688 DMIFPCRTDKZNLP-UHFFFAOYSA-N 443.504 0.835 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 462014611 ZWPIPYSJTBQASD-MRXNPFEDSA-N 433.476 1.494 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](n3cccn3)C2)CC1 463432843 IHDGEUQBBSYFHY-GOSISDBHSA-N 428.518 0.535 30 20 ICED N#C[C@@]1(NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@]3(C#N)CCOC3)N2Cc2ccccc2)CCOC1 464449589 TUFGZSPSKPVUCH-PVTAMDAMSA-N 437.500 0.617 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1C 467546646 BITKSWCQPLBKOG-CYBMUJFWSA-N 429.498 0.416 30 20 ICED COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 469256540 TUHYLDFTXXWLBR-LBPRGKRZSA-N 446.445 0.942 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CCC)C(=O)C2)cc1 472529911 WEYLSDCFUDLRMQ-UHFFFAOYSA-N 436.534 0.903 30 20 ICED CC(C)[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)N(C)Cc1nnc2n1CCC2 472971649 UXUOPVGJELUALC-FQEVSTJZSA-N 449.515 0.784 30 20 ICED CS(=O)(=O)CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 478029955 PXSHROKVUQPBIP-UHFFFAOYSA-N 442.563 0.789 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2=O)cc1 478802083 YWXKDFNQEJKDSG-LJQANCHMSA-N 449.467 0.350 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 480189220 SSVHRIIGMRJMTQ-UHFFFAOYSA-N 432.933 0.052 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 489172938 XDYNBIZBORGXHJ-PBHICJAKSA-N 440.547 0.252 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CC1 491124647 VEVWLUDKKOHATQ-UHFFFAOYSA-N 444.532 0.956 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 502440420 KZRDQMKNTJVDDR-UHFFFAOYSA-N 426.494 0.587 30 20 ICED C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCO[C@H](C(N)=O)C1 508793073 OPBQHMCPKJBASA-FQEVSTJZSA-N 439.564 0.781 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 509402797 SMEAFCAKPSKKPK-CQSZACIVSA-N 428.536 0.674 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 509658078 OGECZVSSIJVZPA-AWEZNQCLSA-N 434.474 0.952 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C1CCN(C)CC1 517990189 JIIQUHJHWDRTQG-UHFFFAOYSA-N 440.569 0.751 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 521279217 XSORBISJHFBZHY-UHFFFAOYSA-N 442.544 0.697 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 522854084 TZARJHFSXYDHIF-SFHVURJKSA-N 439.520 0.200 30 20 ICED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 536717129 SVXWJLNIGVEGKJ-UHFFFAOYSA-N 429.351 0.964 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 541401932 QMTILLJQZWTAEY-GFCCVEGCSA-N 428.367 0.801 30 20 ICED C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549644818 WRSWFUNJDSXPKI-INIZCTEOSA-N 440.504 0.979 30 20 ICED C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 556039827 YLULGJXIWWCFAH-MRXNPFEDSA-N 435.488 0.381 30 20 ICED CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 558045040 YGBDRDHGPKHEBW-SFHVURJKSA-N 432.544 0.734 30 20 ICED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 566325967 IUNCJHGXOZZMFA-IBGZPJMESA-N 439.516 0.540 30 20 ICED C=CCn1c(Cc2noc(-c3cc(C)ccc3S(N)(=O)=O)n2)nnc1N1CCOCC1 572799972 BSTNFYOHNHAAEC-UHFFFAOYSA-N 445.505 0.897 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(C#N)c1 587719951 SGDTUFWSRWXHKR-CRAIPNDOSA-N 434.518 0.388 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 604148148 NQAMBGACGBADLC-UHFFFAOYSA-N 427.486 0.640 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 604218708 GFXZTXBQNKVLJB-UHFFFAOYSA-N 433.432 0.687 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 608778774 CIZSYUACDHQOFL-UHFFFAOYSA-N 428.489 0.227 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2)nc1 609138630 HWLLRGJYKCAXRJ-UHFFFAOYSA-N 425.537 0.872 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1S(N)(=O)=O 609944575 YWAPYPFJSUHTPV-UHFFFAOYSA-N 445.476 0.941 30 20 ICED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 619567723 ANINZZBNEDWRSK-CQSZACIVSA-N 442.476 0.861 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C)cc2)n(CC(=O)N(C)C)c1=O 680888000 OTOCDYSPGBKUAN-UHFFFAOYSA-N 449.536 0.909 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732420370 ZUWCNUWONUCEQJ-HNENSFHCSA-N 429.433 0.166 30 20 ICED CCOc1ccccc1C(=O)NCCCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732908448 LLQFWIPDKQGWHG-INIZCTEOSA-N 435.502 0.561 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758640915 JSXFUKFRXGUBMF-CABCVRRESA-N 430.527 0.855 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)c1cccs1 767636079 IKOYMHQKODUVJD-LBPRGKRZSA-N 435.483 0.829 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)cc1 770476288 JJWXZTUBOXPAFC-LTGZKZEYSA-N 437.503 0.794 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCCS1(=O)=O 773114091 WPQHMNJTEQVVHX-OAHLLOKOSA-N 443.547 0.863 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(C)c2)c1=O 779855552 VXMCNEGZUQZYBX-UHFFFAOYSA-N 427.913 0.867 30 20 ICED COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(Br)nn3C)c2=O)cn1 782729368 QVYKGFYNZDQILG-UHFFFAOYSA-N 443.286 0.825 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)c1 783453833 UDZVSTYCEVCVGY-UHFFFAOYSA-N 442.497 0.920 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cc1 784547957 QUESQFHLMLZVOC-UHFFFAOYSA-N 436.515 0.725 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3COCCN3CC(F)F)CC2)o1 786943438 ANMDXKWFICEDHT-AWEZNQCLSA-N 427.408 0.012 30 20 ICED C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCOC2)CC1 802754787 HNZUZELVBXRSCC-QGZVFWFLSA-N 433.516 0.984 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3c3ncccn3)CC2)o1 915386181 OSJZBIQOPFSXJJ-INIZCTEOSA-N 425.449 0.506 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)c1 916516270 IQVZFLBZHQTGLK-UHFFFAOYSA-N 428.518 0.904 30 20 ICED CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)CCOC1 1296570000 MMIQNAIJDCGMAK-NRFANRHFSA-N 432.525 0.919 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncc(C(N)=O)cc3Cl)CC2)cc1 1319505950 FTYOOGTUBCGBNS-UHFFFAOYSA-N 433.877 0.852 30 20 ICED CN1CCN(c2ccccc2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1325888160 BVPNUFPBWANSPX-UHFFFAOYSA-N 427.530 0.905 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CCO1 1503771646 IZMKQZJCEIVNRQ-UTKZUKDTSA-N 426.477 0.573 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508425640 RIQQAKQVQQYKNT-HOTGVXAUSA-N 425.559 0.303 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1541675649 SCXXDQBGFIFAGP-SJLPKXTDSA-N 430.557 0.314 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1548175612 LZKWRCOEDMSNDK-WBVHZDCISA-N 437.570 0.273 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1596043667 SQFITZNCXPNDCX-YCPHGPKFSA-N 425.559 0.743 30 20 ICED CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 1611797523 SCKAZQITBDKGSP-HZPDHXFCSA-N 438.554 0.020 30 20 ICED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769333234 VYNZFJKEGJMUJH-SFHVURJKSA-N 436.520 0.559 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1771348240 SFNVDYYBVGODBG-WBVHZDCISA-N 449.558 0.875 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCSC2)C1 1771361027 IWSBIHATIXGYKU-KEYYUXOJSA-N 444.558 0.806 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779070243 XONGOXRZPUAPDA-LPHOPBHVSA-N 428.507 0.230 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175514 NXTPTBXCBFDLGO-QRQCRPRQSA-N 426.473 0.701 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)ccc1F 1781295548 NHQGETJTEBUBFR-OAQYLSRUSA-N 425.420 0.879 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781780617 BZNBGBBHJIQUOO-LYHRCORUSA-N 440.500 0.587 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4nc5ncccn5n4)CCO3)C2)c1 1781963037 BVCHEDOMIOHWBL-OAQYLSRUSA-N 435.419 0.892 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(C)c1 1782017302 GRKMVRJXVWCVBD-WZONZLPQSA-N 442.468 0.997 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783110999 WIFOTTXUFNYQGX-OXQOHEQNSA-N 427.567 0.700 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1783913273 LTYRTOKXGMIELL-JOCHJYFZSA-N 440.504 0.586 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785168904 FJPHJYNPOZXTDN-UFYCRDLUSA-N 444.532 0.774 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1785422197 CZVQBCWDLBYXGM-HSZRJFAPSA-N 437.500 0.736 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1788655352 CZFVTEPIGQKOIE-RZIYSJGESA-N 446.504 0.969 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788716262 ZNTWETXYFFLLDO-LEUOFYLZSA-N 430.505 0.573 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSCC(=O)O)C[C@@H]32)c1 1789259105 HTOJXWHROCFFOP-WBAXXEDZSA-N 447.513 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCC)nn3)C[C@@H]21 1789890733 JILPYBKPCGMHSV-BQFCYCMXSA-N 446.504 0.978 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1789953365 BORNENPWJSEWED-OTRWWLKZSA-N 431.493 0.575 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C[C@@H]21 1791076559 KAZOCGLGLKKCLA-PJODQICGSA-N 430.848 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccccc3)[C@H]2C1 1792244299 NXEHOUDCLCWHKU-DIZVHYTASA-N 441.528 0.823 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cnnn2)C3)c(O)n1 1794490276 AURXOJSGFFHMKG-ZXFNITATSA-N 441.492 0.357 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797061560 AVSYKKBIKSHXAU-FAQVEIGNSA-N 446.467 0.883 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797742564 XDZUSSSNFQAOLB-VLBSKRNUSA-N 425.493 0.633 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)c(C#N)c1 1799239172 ZJCXGBUFSZIRFU-VPTLXERWSA-N 437.456 0.508 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2ccnn2)C3)c(C#N)c1 1799239385 AIFUXPVNFIZCAY-HEFCWWFNSA-N 438.488 0.552 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c1 1799744907 CRQYOUNPLFMQDU-IVWMJMPLSA-N 439.403 0.703 30 20 ICED C#CC(=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 1800452382 INGZKEAJAQBEBN-KMWNMMNJSA-N 435.521 0.217 30 20 ICED Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1801338304 GRZKAYLXBWQOMQ-YRWYUPRASA-N 433.509 0.871 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1804376775 PLWRCBLVANEYOF-LXTVHRRPSA-N 431.493 0.417 30 20 ICED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1806861804 AVSJCUBQZWDHQB-PXNSSMCTSA-N 433.534 0.817 30 20 ICED O=C(C#CC1CC1)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815851619 ZLBXUHPBJYEGTD-NSHDSACASA-N 445.526 0.934 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774621 KMKVRRMNLYVYBA-FMRLYGOUSA-N 435.554 0.974 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1826037215 AIOPJQWRBQIZAN-SNVBAGLBSA-N 426.462 0.298 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828936644 VUFRYNRUXVUBJI-QFIPXVFZSA-N 426.473 0.160 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1830467972 AQFZAUZRVQWXTA-HXUWFJFHSA-N 430.848 0.845 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831220920 AUAWSHKWYAUCGX-NRFANRHFSA-N 427.436 0.352 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1831387879 SFCAAOVVTLUWAU-VBKZILBWSA-N 439.871 0.982 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831495815 NJINSAMWGVKUIA-UWJYYQICSA-N 435.546 0.810 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832392989 SGQGHFXHBOBJOL-NRFANRHFSA-N 430.432 0.402 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ncc[nH]5)CCO4)C3)c2c1 1833720449 KLBPHPIPLMAECL-NRFANRHFSA-N 435.444 0.541 30 20 ICED Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834315907 FBFKUVGRURHCTE-QFIPXVFZSA-N 431.489 0.752 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715392 APYGEWHUISBXNJ-MRXNPFEDSA-N 434.585 0.351 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)c1ccc(F)cc1 1834766071 VCDGQXXWCUZDJO-PZJWPPBQSA-N 432.452 0.373 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835411622 IANXDEARBBHGMG-JOCHJYFZSA-N 444.463 0.390 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835767756 PXYCAUUSGNWISD-VQYZLWMVSA-N 447.540 0.379 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835840492 SKSRJPIDMURLNF-UZLBHIALSA-N 438.569 0.300 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837233550 CRNLZXWZZLVUNI-UGDMGKLASA-N 447.557 0.716 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525446 WKQJZWKVWVFSQA-NTUGGBQKSA-N 441.550 0.891 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837566953 WEWYSSDHTZKEHS-BAANAVDVSA-N 432.521 0.497 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1838350550 XLHANBQSALGXOW-FQEVSTJZSA-N 426.433 0.069 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccn1 1838722340 ANXJVHKLJQGIAD-VBKZILBWSA-N 437.518 0.647 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839224966 ULJSQGPGZICKMB-LZNRXBQRSA-N 447.536 0.209 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839228831 QFVPJIMXCJLEOV-RJPLPAITSA-N 425.526 0.795 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1839487777 WZGBKHHBVSKSHZ-JOCHJYFZSA-N 449.471 0.552 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839582575 GPSBFHHDEMJHDS-JPYJTQIMSA-N 446.548 0.552 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670765 ZWBBASZTQLWKCB-OAQYLSRUSA-N 432.477 0.211 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260858 DWWRFXAUBDXTJV-JOCHJYFZSA-N 433.505 0.360 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1840479527 ZVWOSDYKGJNWEG-HRAATJIYSA-N 439.476 0.070 30 20 ICED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C5(C#N)CCC5)CCO4)C3)(C1)C2 1840815892 LGIUNLYBKHERDD-HRTMPFAESA-N 431.489 0.480 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840879734 ZWNGKPMJOBVIFQ-CVDCTZTESA-N 443.500 0.820 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840913987 SNNGPUIMCIGJOR-URZJWIJPSA-N 433.505 0.545 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 27507042 JSENPKKKUGMPKP-UHFFFAOYSA-N 431.430 0.161 30 20 ICED N#Cc1cccc(-n2ccc(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)c1 409712176 RTDHSQLJLHTEEG-UHFFFAOYSA-N 444.517 0.515 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 428803244 LDDALUNCJUIXHW-RBUKOAKNSA-N 437.541 0.500 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 432508879 GXYFWXAYNZRRFG-LJQANCHMSA-N 449.577 0.989 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 438063684 RGRDKVREGIGESA-MHORFTMASA-N 430.571 0.649 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCOC1 441919699 CAELEXSIAPKXSM-HNNXBMFYSA-N 431.489 0.351 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)cc1 442243155 UYCVEFDNNUTKCV-MRXNPFEDSA-N 432.436 0.992 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443682455 MCSANWXWTYQRRV-MRXNPFEDSA-N 444.517 0.914 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 461312921 XDHQPUJJEOLBJB-UHFFFAOYSA-N 430.428 0.954 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 482839842 VCPNSKSSLVTHFL-DLBZAZTESA-N 447.561 0.380 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 499338939 YWYHWHUTUCSNPR-UHFFFAOYSA-N 436.534 0.396 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cc(Br)c(O)nc3=O)C2=O)cc1 508115979 AWPRPPZCAURUCE-CQSZACIVSA-N 446.261 0.895 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCOCC1 513195046 WTABAPKYUYLPGJ-HXUWFJFHSA-N 430.440 0.021 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O 513498326 HDGUUJGMBYOQCA-BBRMVZONSA-N 430.436 0.971 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 520926767 XWFDZBCRGNYTGW-UHFFFAOYSA-N 428.474 0.149 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1c1nccn2cnnc12 538102254 IQWAWPZYVJGVNF-CYBMUJFWSA-N 436.480 0.623 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)n2)c(F)c1 546203100 ISLGTVUHVVWJJQ-CQSZACIVSA-N 425.424 0.884 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 551010429 GFDQZBRTZLLADX-UHFFFAOYSA-N 433.534 0.880 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CC2)c1C#N 561666248 HCVOAWYCKOONLW-OAHLLOKOSA-N 440.483 0.178 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccncc2OC[C@@H]2CCOC2)c1 567205537 OBNBDHODENHUDL-MRXNPFEDSA-N 430.486 0.963 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 576034446 HJVATBVINQCVJE-UHFFFAOYSA-N 447.455 0.861 30 20 ICED N#Cc1ccc(N2CC[C@H](c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)C2)c(F)c1 580632151 AIVFRESLXAWHBG-AWEZNQCLSA-N 433.465 0.874 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1S(=O)(=O)NCC#N 610635742 HWIQKXSAHFJGET-LIRRHRJNSA-N 433.490 0.247 30 20 ICED Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n([C@H]2CCS(=O)(=O)C2)n1 610697997 ZXCKHJFAJAYGFL-GJZGRUSLSA-N 444.521 0.955 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 614999767 DBAWAYTVAKQKIW-UHFFFAOYSA-N 442.497 0.975 30 20 ICED CN(CCCNc1ccc(C#N)c(NCCCN(C)S(C)(=O)=O)n1)S(C)(=O)=O 618150521 MZINWXJGIFYHEJ-UHFFFAOYSA-N 432.572 0.340 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1=O 726036487 KHVKPQPGOVUDTG-OAHLLOKOSA-N 428.445 0.244 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCC1CCC1 731649567 PVMCNJKGICYCGK-UHFFFAOYSA-N 442.563 0.341 30 20 ICED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 741443410 SSLMKCJNPNOPIQ-FUHWJXTLSA-N 447.513 0.270 30 20 ICED C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 746045761 JQMGCGMKNNQVBY-VKWHMPGMSA-N 435.550 0.896 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=O 748051256 NHEAUGTZZOOKTI-UHFFFAOYSA-N 443.479 0.665 30 20 ICED N#Cc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 748288070 AWHPBHNYILDFPL-OAHLLOKOSA-N 427.438 0.985 30 20 ICED N#Cc1ccc(OCC(=O)NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 751852053 GKJBNDRUTOKSSL-UHFFFAOYSA-N 426.447 0.996 30 20 ICED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757296158 VKSRDRKDHZTWNE-AWEZNQCLSA-N 437.460 0.657 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 757371245 APAZQAGFUPJGJQ-LBPRGKRZSA-N 439.494 0.790 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2occc2Br)c1=O 758084120 PKKBCLGIFXJQDB-UHFFFAOYSA-N 436.287 0.164 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758501477 RVXCPAICUBAGOJ-HOTGVXAUSA-N 436.513 0.125 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccc2nnc(O)n2c1 770117231 RMCBQVZYIUCQBO-UHFFFAOYSA-N 448.395 0.972 30 20 ICED CC(=O)N1CCN(c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2[N+](=O)[O-])CC1 770124210 JTZNEWNGMWARFL-UHFFFAOYSA-N 427.421 0.771 30 20 ICED COCCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2ccnn2C)c1=O 772277222 GUKPKLMXLNCNNM-UHFFFAOYSA-N 430.436 0.954 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 785529803 YHGDTBWCHDAWRU-LEWJYISDSA-N 428.533 0.621 30 20 ICED CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 787034687 AZMBYDMOGHACCN-MLHJIOFPSA-N 431.514 0.998 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1cc[nH]n1 789997404 IFJADENHKAPSNF-INIZCTEOSA-N 443.460 0.929 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C)c(Br)s1 794922683 LEDYTEFMTFUTGF-UHFFFAOYSA-N 435.325 0.919 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 799287900 VBKXMWDALLPZNY-INIZCTEOSA-N 434.518 0.766 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCO1 800129966 AFXHNTVBLSVFFR-QGZVFWFLSA-N 441.469 0.456 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(S(=O)(=O)N2CCCC2)CC1 800656357 WJPLSRHAWMQUEN-UHFFFAOYSA-N 440.547 0.142 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)n1cnc(C#N)n1 810803548 MIAYQWNJOJLJMU-SECBINFHSA-N 446.898 0.120 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ncc(C#N)cc3C)C2=O)cc1 815337891 DVUDLVJRFKFRCG-OAQYLSRUSA-N 437.412 0.926 30 20 ICED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 857835274 BCZCXTUXXAPIQC-LBPRGKRZSA-N 440.909 0.115 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 887568789 GNXMSQIDVGIXPG-JTQLQIEISA-N 438.487 0.855 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 917156186 ZKFWRLJIOYCSLX-UHFFFAOYSA-N 426.498 0.775 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)ccc1F 918597819 ODYRECXTNKOGEA-UHFFFAOYSA-N 448.476 0.435 30 20 ICED CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1302437953 BEWGSAPCMGFKEO-FQEVSTJZSA-N 431.518 0.982 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1318587728 WODOWVIHXVFLSX-GOEBONIOSA-N 433.490 0.303 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 1510292974 CAGILVRPJFKRJX-HOTGVXAUSA-N 438.554 0.778 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696501526 HJDKBZUENDPPDU-INIZCTEOSA-N 432.554 0.399 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1768545996 XCCWVYOCSSUAAW-QGZVFWFLSA-N 428.518 0.966 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1777711652 GWSNDSNVPJJOIE-DYESRHJHSA-N 448.545 0.932 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100413 VYKMEXZAXKRXEQ-GDZOKYCISA-N 445.538 0.026 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156036 YUYUOEUBOWXVLK-GAJHUEQPSA-N 444.484 0.318 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1780176990 PNIUSPBLSFZPNV-LNPFQXMTSA-N 441.484 0.888 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1780739870 SUEBZTNQEOOHCU-OXQOHEQNSA-N 444.550 0.444 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1781048387 ZRDDCXIIRWBRMC-IUSZMWJPSA-N 436.509 0.647 30 20 ICED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781206738 CSBFECDLOWPRKZ-XMSQKQJNSA-N 438.488 0.698 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1781268845 ZBSAYKCPMCPPTO-QFIPXVFZSA-N 445.472 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782407780 NGXVFTJFTHIHQQ-KSEXMQBYSA-N 438.484 0.483 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(Cl)cc3nn1)CCO2 1783562700 OOIIHYCWBSANIX-HXUWFJFHSA-N 428.832 0.815 30 20 ICED 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 1783995327 PEBOLZNEBDZENH-LXFSFDBISA-N 431.555 0.170 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]3C2)c1 1784601413 XUEOPICJDXGDGE-BMIPRAEKSA-N 428.489 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CCC1 1786759963 DDAQZEFMTDZFKK-QWGSZXSUSA-N 439.472 0.577 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnc2ncccn12 1788004545 SHBJZKPEMHSCIQ-BAVDVLQDSA-N 439.520 0.794 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788600956 NBMJFBRLZWSPNJ-BAVDVLQDSA-N 439.520 0.794 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788637147 JYISZFLXCXDMHH-UFYCRDLUSA-N 445.560 0.677 30 20 ICED Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C(F)(F)F)c1 1791075667 KKJCSXMTSCYYBA-HUBLWGQQSA-N 427.379 0.725 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C)c1 1792099795 VFQYBZIXTOUZFP-SZMVWBNQSA-N 428.441 0.463 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1792832037 IJWBDLXHCPJTLL-UPHUGPLXSA-N 437.504 0.414 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795421153 YKXTUXMRRVWGKK-ICDONNSOSA-N 436.509 0.252 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1[nH]nc2ccncc12 1796212408 IOJUDXYPQFORFV-SXDNJMQMSA-N 442.476 0.690 30 20 ICED 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=CCN1 1796313261 VXMYIELMZGLBIT-PJVZLEMVSA-N 448.564 0.964 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(-c3ccccc3)n2)c1 1796539998 CNNHUFOAQAUAMD-HGKCTWBKSA-N 431.456 0.984 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CC2 1797955590 QUYWUKUHYHSDIK-QDMKHBRRSA-N 428.493 0.914 30 20 ICED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)N1CCN(C)CC1 1798468543 GOZJNPYIOSKKEC-BURNTYAHSA-N 430.593 0.959 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(OC)n(C)n2)C3)c1 1798578478 SOMOQAIPEVDRTC-CWPLJXCYSA-N 439.472 0.826 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@](C)(O)CC(=O)O)c1 1801006362 RZOXDCKRBCHVDX-IALVJMBCSA-N 445.472 0.386 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NC(C)=O)[C@H]1c1cccnc1 1802475048 AWSIGXAOOPACLO-LDRMICATSA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802477509 OVNTVTPKAZJASG-ATHSGRMUSA-N 439.516 0.472 30 20 ICED CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807149392 FTHWEBARUDYGFC-AZUAARDMSA-N 428.537 0.895 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810398139 FDAOGVXNOXLZDD-HMNATIFRSA-N 425.489 0.522 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)[nH]n1 1814438395 NPMOHNGICLJCBF-ZAWACTRJSA-N 448.480 0.325 30 20 ICED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](N)CN)n[nH]2)c(C#N)c1 1818015550 YOVYSDCMEDBCBZ-WMZOPIPTSA-N 425.493 0.811 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1829267480 QFKNCDCRMPDXPQ-QHCPKHFHSA-N 440.500 0.598 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829506935 RHTMDQOPLQJJAG-RDJZCZTQSA-N 427.505 0.847 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3C)C2)C1 1829769172 MPAXXORGKAVRAP-YLNCNTMDSA-N 442.516 0.627 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907320 HGZIJZJECXAARL-QHCPKHFHSA-N 428.533 0.897 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830459313 UUIDDXSWUFNANJ-HSZRJFAPSA-N 428.533 0.947 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831426817 PJELOLAMHSMWOV-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831427720 YTVPAQWGUQRDQC-VGOFRKELSA-N 443.504 0.699 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831485473 VJNRFJWVWPHXOS-LPHOPBHVSA-N 442.513 0.807 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1832456550 SJEICRBJZCKALN-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832471131 GDCFQOOVUABEPN-XWFZLUIHSA-N 433.574 0.818 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)c3ccccn3)CC2)CC1 1833464661 LWLHWYCIRCOXHU-UWJYYQICSA-N 427.549 0.691 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1833513474 UGDGEIGEQUSMOZ-IBGZPJMESA-N 425.489 0.852 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(F)(F)F)c1)CCO2 1833795143 GFGZJPQAMDIKJA-SFHVURJKSA-N 441.362 0.258 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833938432 YUEMORSXXMAKJB-QGZVFWFLSA-N 443.548 0.610 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977655 KRDPLGSBBCCUPX-JOCHJYFZSA-N 428.489 0.245 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016047 PBZBJFJNLGNLBD-UZWDYZERSA-N 432.477 0.681 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)oc1C)CCO2 1834087531 NSQVGNDXHGCVFY-QJKPHDSHSA-N 431.489 0.825 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1835099084 YSLBNRGDHLMFTJ-XMMPIXPASA-N 441.528 0.217 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(-c5cccnc5)[nH]n4)C3)C2)CC1 1835344828 XYUOSZUMMPSJDC-JOCHJYFZSA-N 436.472 0.845 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835677963 RTNHPYPIVPZHAQ-JOCHJYFZSA-N 446.552 0.334 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994258 WIFNHKNUEWCRDI-QFIPXVFZSA-N 433.505 0.288 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997670 ZFWWYRHLRSJTEY-HPARJBSBSA-N 442.472 0.017 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCC5)CCO3)C2)c1 1836979652 TXCSQBQGENDZON-QFIPXVFZSA-N 438.488 0.803 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837107318 CUWHFKIHFWKLBR-HTAPYJJXSA-N 426.473 0.443 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837444176 QSOCADUZYRFWGK-GWJNGDFSSA-N 433.484 0.762 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837837732 KTSIHCNBDJXUKQ-MGPUTAFESA-N 438.912 0.773 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1838805497 NVZWLRFVYCROPO-JOCHJYFZSA-N 440.456 0.731 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838829937 ZNKXYXMMZBWFMH-HXUWFJFHSA-N 436.534 0.865 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1838949493 FLKIHPOHGKEBFP-XMSQKQJNSA-N 426.473 0.154 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839080791 KFHGDYSCAGIKTG-ISJRUSPKSA-N 449.548 0.435 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1839175728 AYOZVZYYUIOAPI-JOCHJYFZSA-N 437.537 0.438 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205985 XQRLGNDITPVYLB-RHSMWYFYSA-N 431.327 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1839223161 OLILRDOMDRGFTJ-WAOWUJCRSA-N 435.525 0.777 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839435132 NVLBJWSZNRUOLG-HSZRJFAPSA-N 435.484 0.751 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cc5cc[nH]n5)CCO4)C3)c2c1 1839722286 KMDONJVBTQTVAS-QFIPXVFZSA-N 449.471 0.470 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810657 KPKGLAFGEDWKJU-KSFYIVLOSA-N 433.505 0.333 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839889441 VBAAXXQEXVEDHZ-QGZVFWFLSA-N 434.509 0.138 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1)C(F)(F)F 1839893072 NNRQOZROEJDFNO-KRWDZBQOSA-N 435.399 0.404 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840007643 KYZUDLFSILMBPZ-ZHRRBRCNSA-N 433.505 0.333 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)C1 1840041557 ULSQEUAOYPFKHV-GOSISDBHSA-N 441.362 0.258 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)CCC1 1840814696 DXOUINWXEJAAOU-BSRJHKFKSA-N 444.532 0.538 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1 1847089063 RNHGVZHKWAIMPJ-JKSUJKDBSA-N 437.537 0.892 30 20 ICED C=CCNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 27636916 KFFGXEUBICWXGP-UHFFFAOYSA-N 443.547 0.690 30 20 ICED COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409578550 UKXRIDKUQVOSLO-GOEBONIOSA-N 439.490 0.635 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 475482451 XTPVATZHHARVEV-UHFFFAOYSA-N 441.506 0.364 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475619091 DJUHFSZUDNHUFS-UHFFFAOYSA-N 426.433 0.589 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 481501740 VAXHQZNPUFOUAO-YOEHRIQHSA-N 436.559 0.791 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 491038708 RVOJOLFIRUBZSF-UHFFFAOYSA-N 447.448 0.141 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CC1 501601034 UHPZQZKYJSNNQQ-QGZVFWFLSA-N 426.521 0.219 30 20 ICED CCc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 502053913 AQGWDYKTQLLMAZ-UHFFFAOYSA-N 449.536 0.557 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nn1CCC#N 504530091 OELDPRJROBTKEW-MRXNPFEDSA-N 429.525 0.589 30 20 ICED C=CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508479080 VXAGNVNSGXCCEK-UHFFFAOYSA-N 427.444 0.518 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 533542139 OTHVWFYAJIMRMC-AWEZNQCLSA-N 429.458 0.834 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCCO1 533884654 KANOGPDEIFQSDS-OAHLLOKOSA-N 433.555 0.806 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)c1 535546122 SLJFENYQYSPAEC-UHFFFAOYSA-N 431.518 0.851 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 537288881 BMAPRRAZUIWKBA-CVEARBPZSA-N 425.580 0.471 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)cc1[C@@]1(C)NC(=O)NC1=O 560059197 FFRQAXCWFVMGPX-HXUWFJFHSA-N 442.453 0.783 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 561783108 IISRFWSTRKSWFS-XKGZKEIXSA-N 448.495 0.719 30 20 ICED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562149853 IFCYEHPUYWTKQG-IBGZPJMESA-N 439.497 0.791 30 20 ICED COCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 568688450 PKICFCLZDQUTHQ-LJQANCHMSA-N 428.489 0.429 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 569405214 XFVPKWSVVXXEAW-BHIFYINESA-N 439.560 0.717 30 20 ICED C[C@H]1CN(c2nc(N3C[C@H](C)S(=O)(=O)[C@H](C)C3)ccc2C#N)C[C@H](C)S1(=O)=O 579419864 UAAQYULJJCEHJD-XGUBFFRZSA-N 426.564 0.977 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)C1 580597642 COJUQRZYYAGKNR-QZTJIDSGSA-N 433.578 0.849 30 20 ICED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 588008899 BXKNXWGDQWVJDZ-KGLIPLIRSA-N 426.420 0.804 30 20 ICED COc1cc([C@H](C#N)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc(OC)c1OC 609008199 SRLHEOLCUSJIPG-AWEZNQCLSA-N 439.428 0.653 30 20 ICED Cc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1S(=O)(=O)NCC#N 609763094 FCNSPZKUOJUEIS-UHFFFAOYSA-N 446.489 0.105 30 20 ICED CCN1C(=O)[C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)CCN2C1=O 610605652 OUHZNXHTPNLRFR-QGZVFWFLSA-N 430.509 0.920 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610665179 CQVCEKAXHPVUPR-RDTXWAMCSA-N 434.497 0.635 30 20 ICED CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)NS(C)(=O)=O 615912997 XZTRCLCETJXEJT-UHFFFAOYSA-N 449.533 0.652 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 731765106 OODSHTQFGLUARM-UHFFFAOYSA-N 444.460 0.723 30 20 ICED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732429732 XYRKZBSWQFIGDS-HNENSFHCSA-N 443.460 0.816 30 20 ICED N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 732910571 QVVMCUXSVRJJTI-CQSZACIVSA-N 427.429 0.441 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCN1C(=O)CNC1=O 733406696 QMAFAWZYERJMRK-AWEZNQCLSA-N 436.490 0.769 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 735068014 CARPDWGEJRHYBL-UHFFFAOYSA-N 449.529 0.184 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 735580005 JKRHBDCGVTXWJO-JVMRMLDLSA-N 427.509 0.418 30 20 ICED COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 735864887 HMIKWGYOMDWETB-AWEZNQCLSA-N 442.519 0.233 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1cnn(CC)c1 743726039 BVCIFAHLXPKDSA-UHFFFAOYSA-N 428.543 0.910 30 20 ICED N#C[C@H](C(=O)CCN1CCCS1(=O)=O)c1nnc(N2CCOCC2)n1-c1ccccc1 744938238 KFBNALKXVLTGFR-QGZVFWFLSA-N 444.517 0.706 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 748119437 CBODPGIEZXSDCI-HNNXBMFYSA-N 431.401 0.329 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3c[nH]c(C(=O)OC)c3)c2=O)cn1 753361303 ZOXPLDFHHHRVHO-UHFFFAOYSA-N 439.497 0.958 30 20 ICED COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 757919558 UONFSWQQVSQCGI-UHFFFAOYSA-N 444.469 0.652 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 758051258 LEVDSZPXSDDQBD-AWEZNQCLSA-N 435.505 0.680 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758773402 RKAKUROZKYFGHP-BFYDXBDKSA-N 434.541 0.740 30 20 ICED CC(C)N1CCC(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 771292858 FWZQMBVGSDUWHJ-UHFFFAOYSA-N 433.578 0.742 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 780042067 AXNITPROGKEGKR-HNNXBMFYSA-N 449.467 0.804 30 20 ICED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cc(Br)nn3C)c2=O)CC1 782698821 XXSAYKXVEIKYSG-UHFFFAOYSA-N 433.335 0.699 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 784866924 CKUXXEXNLPSSAN-LIIAEISMSA-N 435.506 0.223 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CCN1Cc1ccccc1 787111111 XZNGTKJFAFYRIV-YADHBBJMSA-N 439.560 0.983 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(=O)NCCNc3ncccc3C#N)C[C@@H]2C1 787759403 NTIAMKFDBKZNIT-IYBDPMFKSA-N 428.493 0.807 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c1 801553542 YLJXIMNLUIOUQB-UHFFFAOYSA-N 428.518 0.964 30 20 ICED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)Nc1ncccc1O 819803949 RBVZQGXZSNZVEE-NEPJUHHUSA-N 431.474 0.605 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917762243 JYCVBDHLTXFKDZ-CQSZACIVSA-N 429.546 0.701 30 20 ICED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316067048 YLGOVQXILXLARL-MSOLQXFVSA-N 430.557 0.374 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1508427032 XHBXYBOMKOWAFV-RBSFLKMASA-N 429.568 0.743 30 20 ICED CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1510341768 WWANKKGFECOSIA-HNAYVOBHSA-N 440.545 0.733 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1555803318 KSRNXFYEWJUURK-OAHLLOKOSA-N 433.490 0.880 30 20 ICED CC(=O)NCC(=O)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1560056828 WMTMMUCVVRRKFV-SFHVURJKSA-N 446.577 0.127 30 20 ICED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 1611601561 URCGKVKBPRYPBM-INIZCTEOSA-N 425.493 0.386 30 20 ICED COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1711637047 KWUFDUWWKCNNPR-YOEHRIQHSA-N 434.522 0.982 30 20 ICED CS(=O)(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1712685484 ILVYOQBQCUOJQF-KRWDZBQOSA-N 433.469 0.945 30 20 ICED CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1767854353 ZRLIKZCCKNHEKH-HNNXBMFYSA-N 447.569 0.597 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181271 ZIWNOQGSPREFCW-QYWGDWMGSA-N 446.508 0.226 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779229941 SJXNODMTCFGMKY-IFZBRMRXSA-N 433.549 0.908 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c1 1780090400 MJLSKZMTROFHDO-GXJJEBCYSA-N 442.516 0.417 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1780806637 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30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767493 JSNGIFBJTOOZMX-FSTVOOFJSA-N 448.520 0.754 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1835732075 LPIVNQJOZZQDBY-XQNSMLJCSA-N 443.552 0.839 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190658 UJKVFIKLSQLMJD-XMMPIXPASA-N 441.528 0.779 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837241690 PPABAIQAGMMLSL-FERNZSSWSA-N 439.534 0.314 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1837392577 FATPFFNYIKYPQI-HTAPYJJXSA-N 434.537 0.680 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1837394943 LVSLSNLDMABIIT-ZHRRBRCNSA-N 448.520 0.030 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837403409 MGEDPNVJZDKXMT-AVRDEDQJSA-N 443.504 0.601 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837466910 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C=CCNC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 16537104 MILKARJMNOFWMP-UHFFFAOYSA-N 437.474 0.615 30 20 ICED C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 18971064 AJZVUDRVFZEXER-UHFFFAOYSA-N 434.518 0.829 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 409523944 VOMRRJXRGKTNNL-CYBMUJFWSA-N 431.496 0.237 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)ccn2)C1=O 410115357 KXBDPVUCNTWXSN-MOPGFXCFSA-N 439.516 0.799 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1C(=O)Cc1cccc(Cl)c1 410158690 JCSQKBBKJPXOBR-RHSMWYFYSA-N 426.926 0.884 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 430388015 XBKUVNIZYKFFLK-FPOVZHCZSA-N 434.581 0.877 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 434435260 RRVNFIUGSZRPNY-XJKSGUPXSA-N 428.536 0.154 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 435834023 GZAHICCGXKZJFE-UHFFFAOYSA-N 428.468 0.705 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCOC1 441941853 MOBPCHOWRRBKJT-CYBMUJFWSA-N 431.539 0.822 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cc1 441947966 KVZXCOZJZVXDDG-KRWDZBQOSA-N 439.537 0.874 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 442108508 ASYMOPQYISOZIZ-ZBFHGGJFSA-N 437.474 0.364 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccc(OC(F)F)cn3)n2)cc1 447451920 QXHDIOIOVARLDM-UHFFFAOYSA-N 427.371 1.449 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)C1=O 466388773 LRIMFKOATUNLQM-UHFFFAOYSA-N 428.445 0.233 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 468248833 AWRRUEKHKHMWEI-GOSISDBHSA-N 446.467 0.532 30 20 ICED N#Cc1ccc(N2CCC[C@H](N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2=O)cc1 485717103 OAYDTEYOXNYTEA-IBGZPJMESA-N 425.489 0.057 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 501813277 BHGOHMKOAOTOOW-UHFFFAOYSA-N 447.463 0.923 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 504885948 SIKXWOBQOYJTCS-ZBFHGGJFSA-N 437.474 0.445 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 506256850 YWGYRHPKOYAOES-KRWDZBQOSA-N 447.455 0.821 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 509256041 PWZPFEUXKKMYIF-UHFFFAOYSA-N 441.491 0.682 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccccc2S(N)(=O)=O)cc1 511304373 CRRPMBLOJSRRGM-UHFFFAOYSA-N 431.474 0.896 30 20 ICED COCCN(C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 514925168 NYYXWOMOIGTBFO-OAQYLSRUSA-N 448.589 0.728 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 514956194 AYNRTMFSVMJGCF-UHFFFAOYSA-N 448.487 0.606 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CCN(C)CC1 516372406 FECXIYYNFFETKQ-UHFFFAOYSA-N 447.586 0.289 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 522276337 CDQQFFDJKSILIS-UHFFFAOYSA-N 425.510 0.663 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O 527279809 VGFHNOHMUURDFQ-CQSZACIVSA-N 445.928 0.856 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCS(=O)(=O)C[C@@H]3C)nnc12 530385191 JUFODPJSJZXXDH-ZDUSSCGKSA-N 447.542 0.968 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)n2)c(Cl)c1 542061283 VLMNMFLVFVOSBX-UHFFFAOYSA-N 426.824 0.605 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 543241228 KQKWPLCXOJBIFR-IBGZPJMESA-N 431.537 0.910 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)n2)c(F)c1 543940301 MSLSBKKJIUZVLG-UHFFFAOYSA-N 439.451 0.244 30 20 ICED C=CCn1c(Cc2noc(-c3cc(S(=O)(=O)NC)oc3C)n2)nnc1N1CCOCC1 547054078 RUDCFAXRZXMHML-UHFFFAOYSA-N 449.493 0.751 30 20 ICED CNC(=O)C1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 557000306 XBYQLLGQGJLFFY-DAWZGUTISA-N 425.489 0.196 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCOCC1 559552052 QPUISAPNASRRRO-NHCUHLMSSA-N 427.549 0.696 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 564007498 IGTHOSBECSZWOZ-UHFFFAOYSA-N 432.424 0.754 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 564011954 XZALRLGSJNEFAF-UHFFFAOYSA-N 437.522 0.648 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 564408161 XOLIFXBNSATKFM-UHFFFAOYSA-N 428.442 0.927 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 568558912 LMKXIJNLNUDYGM-SFHVURJKSA-N 442.564 0.170 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC1 580809232 DJUHRFBKPSQAKH-HXUWFJFHSA-N 436.534 0.834 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 603715684 UMUCWNUZWJYQHG-UHFFFAOYSA-N 441.410 0.718 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 672221234 FFENZZPZNYEXLR-NVXWUHKLSA-N 429.564 0.989 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730372159 VOUPQFHWSOFHED-ZDUSSCGKSA-N 426.495 0.614 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 735494511 ZGPLRWBHWXTGKH-IHPCNDPISA-N 434.562 0.718 30 20 ICED O=C1C[C@@H](Cc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)C(=O)N1 739815737 WDAXDDTVRRCHHU-CYBMUJFWSA-N 426.454 0.569 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 754118112 IHNNMAACWRVUMA-RISCZKNCSA-N 444.535 0.908 30 20 ICED COCCN(C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 754279834 QFYBKXBEDLITBV-LFMVTYOGSA-N 432.564 0.681 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 755710908 CKISPQYHZLVKJX-INIZCTEOSA-N 447.561 0.270 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)ccc2OC)c1=O 758052605 RJFMXZBYOHLVGA-CYBMUJFWSA-N 445.928 0.859 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2csc(CC)n2)c1=O 758068002 JPOUEHINTDUGFU-UHFFFAOYSA-N 430.555 0.608 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 758077321 VXVXJIWYLGXJFN-UHFFFAOYSA-N 437.521 0.694 30 20 ICED COCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 758766009 DEJRRQAAVDZELH-SOUVJXGZSA-N 430.527 0.591 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 761029397 OWQFWDXSDTZKFB-UHFFFAOYSA-N 447.605 0.115 30 20 ICED NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 766238529 UJDRTFOCKYDCOV-KRWDZBQOSA-N 426.498 0.944 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 766986096 MNEHTUCKQVAROT-UHFFFAOYSA-N 441.425 0.831 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc2c(c1)OCO2 767886774 AWKZZBKJJLHXPF-UHFFFAOYSA-N 438.490 0.866 30 20 ICED CC(=NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 769818280 SNOZBISRFUIBSZ-UHFFFAOYSA-N 431.478 0.926 30 20 ICED COc1cc(C(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc(OC)c1OC 782442201 PZWZZDXIOMTOHW-UHFFFAOYSA-N 441.400 0.806 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 782966032 IVTQPQXUPSGYFI-HNNXBMFYSA-N 426.466 0.828 30 20 ICED C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785064035 BOASUDWGZDGVCE-OMCGBCHMSA-N 428.536 0.321 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)nc12 786999408 RZRDIIPXZLSTGT-INIZCTEOSA-N 428.449 0.063 30 20 ICED N#Cc1ncn(CCN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 795183940 NJJXTUYDECLAII-MLVIZHJXSA-N 438.517 0.756 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 796726647 NIVUUHNHRXWDQL-UHFFFAOYSA-N 443.489 0.300 30 20 ICED C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)n1cnc(C#N)n1 798745647 UYTAAYCKQVZUII-SNVBAGLBSA-N 440.869 0.796 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCCOC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 807001705 CNFLCCZOMOCIAU-INIZCTEOSA-N 438.502 0.698 30 20 ICED COCC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810468166 CYZCSRQHKXBQOR-XQEBGNCTSA-N 440.522 0.606 30 20 ICED COC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 920052779 ULXVLFJNNOKZIS-UHFFFAOYSA-N 435.506 0.805 30 20 ICED CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1314253281 NXCCRWDXHIYNGR-ZGGTZUKQSA-N 431.541 0.523 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1320612627 QNHOSYNBZUSTLC-HOTGVXAUSA-N 432.502 0.063 30 20 ICED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1322899531 WLYPRJRSEPNYGV-UHFFFAOYSA-N 443.471 0.602 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1326308042 KEGLUTSVESDXQL-MJGOQNOKSA-N 448.545 0.810 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1451536842 QHLHEBVTAXSBSY-CQSZACIVSA-N 425.532 0.795 30 20 ICED C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541958083 YSFYEAYYGVZNTI-VPWXQRGCSA-N 431.518 0.817 30 20 ICED CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1611797521 SCKAZQITBDKGSP-CVEARBPZSA-N 438.554 0.020 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1729622540 YSVKNEMOUWHGPR-OAHLLOKOSA-N 439.520 0.917 30 20 ICED CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748294982 NAGRUVPIECUCBB-CYBMUJFWSA-N 431.526 0.081 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1769259014 KPIPISUIJYZHKJ-QGZVFWFLSA-N 441.492 0.158 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934346 PUZGEVHCPNGQJP-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552099 DAECBQMKOUKKOF-VQHJOYQZSA-N 447.492 0.638 30 20 ICED COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779017182 DBQKXIBIMOVQRO-YQNSVDCASA-N 443.504 0.783 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098958 NAKLWIFGQIIBOW-VPQAOKQCSA-N 434.493 0.204 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1779269957 CCPUPDYJKPNBOU-LUBSMZHTSA-N 435.565 0.919 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COCCO)C2)ccc1F 1780766902 ZNAGDERSVMDNIT-DENIHFKCSA-N 433.480 0.763 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792744 XSUATEXMZFUNCL-VXKWHMMOSA-N 429.473 0.812 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c(Cl)c1 1781967869 BQKDOWJYQOQNNI-HXUWFJFHSA-N 445.863 0.207 30 20 ICED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(=O)c1ccccc1 1782009610 QFDKNHWOUZUEOJ-WZONZLPQSA-N 441.484 0.361 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782311873 OHETXEFICNZNAZ-VGOFRKELSA-N 433.505 0.408 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1783048076 OREXLGSGDYLMCB-WZONZLPQSA-N 442.516 0.981 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783602654 ITIKURSNEMLJBC-YCRPNKLZSA-N 439.509 0.849 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccc(O)cc1 1784019325 FNOYYRUIKPSACN-AUSIDOKSSA-N 427.501 0.855 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1784115219 JNCYMLGVLDSXRR-CJFMBICVSA-N 449.507 0.939 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784536225 POXIXQDJSAQIIO-NNPSNHGLSA-N 444.550 0.415 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383127 KUVOONATQDDASX-GSTVHYHFSA-N 426.473 0.807 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C)nc3)[C@H]2C1 1785398085 WNYZFMPPIFQYOA-GRMGMVGISA-N 426.517 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(Cl)c3)[C@H]2C1 1785690810 BNQZXZSXDAGCMQ-OECAHVLASA-N 448.907 0.892 30 20 ICED Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788656984 VARHPWJIBWPSPI-QVUWHEGYSA-N 433.509 0.700 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788676636 RZPOXJIQXDLOOR-GMZFGXKRSA-N 434.562 0.727 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)n1 1788729679 MTUMOFSOMLVORS-ULQDDVLXSA-N 429.521 0.816 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789693070 FSLISSKNSZHRHN-IKICRFKJSA-N 445.447 0.012 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C[C@@H]21 1792170259 QTSAJNULNCITFA-GCPWLZLNSA-N 441.528 0.559 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C3)C1 1792442571 PEBBDXSRHTZEGN-FXKZBUDASA-N 449.548 0.914 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1793380340 OZOZHWLUPWSTGE-JKJDWNRSSA-N 445.582 0.416 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1C 1793917162 ZNUDLENZVOBRLH-YTRCMYEKSA-N 426.517 0.771 30 20 ICED 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)CN(C)C 1795187218 FQBNHLBNDPANRZ-PZPPHJHLSA-N 436.553 0.607 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)c1ccccc1 1795642526 YVSBQYVTRJFYJY-XCRACJGTSA-N 441.528 0.836 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)NCC(C)C)c(C#N)c1 1796466050 MXZLTQKBXZJPGZ-RMFSNUHRSA-N 442.516 0.471 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1 1799259391 JLLKKKCSCXPMOH-BMQTXXJKSA-N 449.548 0.919 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801588705 MMNWNLIIWZXJNY-ZMMAXQRCSA-N 449.548 0.798 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990084 QOZBRZLGLKFOHE-RMFSNUHRSA-N 442.516 0.689 30 20 ICED C#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)C1CC1)C2 1802124668 GWIADDWATJNKHL-YVSFHVDLSA-N 433.505 0.472 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn1C)C2 1802125138 QNPGKMMTGJJLJP-YYIAUSFCSA-N 445.520 0.540 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn(C)n1)C2 1804374044 XBVARPHERDSXFN-FZKCQIBNSA-N 430.509 0.984 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806617625 SIYYQHGNSYNYCC-TXTKFYIRSA-N 433.512 0.732 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807145483 LHNPTZJMWJPTER-OKZBNKHCSA-N 443.552 0.816 30 20 ICED O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807600919 SPADTWKDYNGMES-GYMOSSRVSA-N 441.492 0.908 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811181954 ISZYFCZVOSBNHH-OGWOLHLISA-N 438.488 0.881 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccnc1 1830977333 PIQSJSXMUWCKPR-LAUBAEHRSA-N 432.525 0.182 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1831387321 NXNZXSQECFVPFV-WZONZLPQSA-N 445.516 0.518 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1831393486 MPPNYYXYQSMMMP-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1831398538 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GLWDRVCIEWPVEA-UHFFFAOYSA-N 436.534 0.933 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595739 ZSXSWECRPGTUCM-HXUWFJFHSA-N 437.880 0.901 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)c(C#N)c1 1839131957 KEAZTWZQUORGQS-OPAMFIHVSA-N 430.505 0.161 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839173786 MFQFVANKVAUTNC-IBGZPJMESA-N 438.506 0.426 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487596 CAONCROQOQQQCE-QFIPXVFZSA-N 439.472 0.874 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572299 QKSHIAVKNATUAE-QMHKHESXSA-N 443.500 0.842 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738545 YPNKSPOPIQUFTE-SGTLLEGYSA-N 426.395 0.233 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839780842 XCDXASMLAXVVAH-FXAWDEMLSA-N 444.550 0.003 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#C)CCO2)C1 1839809747 KDHMASJUVPGBAW-FDDCHVKYSA-N 447.532 0.773 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839889649 HFHQEDVPSMFADR-HXUWFJFHSA-N 449.458 0.940 30 20 ICED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044645 PJHOEYVYJCXVAC-ZHRRBRCNSA-N 432.448 0.549 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483297 CLIZRRJXKYMSGH-IERDGZPVSA-N 434.493 0.465 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840621754 VYZRQFZBASFXIK-NQMNLBCASA-N 427.473 0.864 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819081 NNYKWXVIYQVHSS-JOCHJYFZSA-N 439.472 0.441 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840841989 HAXNPVVSGOULGK-GOSISDBHSA-N 428.411 0.922 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195677 QZAWLTPYSMXZRB-OAHLLOKOSA-N 435.477 0.304 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846372052 CSICXOVNHAIFGP-OLZOCXBDSA-N 429.539 0.965 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 434589888 YMNCLWWBILCSRY-HUUCEWRRSA-N 436.394 1.298 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435148462 BDUSNQNQWYYXQV-LLVKDONJSA-N 439.437 0.501 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCOC2)c1=O 441948725 MMZHDCFNRVDHLV-GFCCVEGCSA-N 431.539 0.798 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 472091971 DUJJWDSNERNUQQ-OAQYLSRUSA-N 436.560 0.937 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OC)s3)c2=O)cn1 477015129 VQEDWGDEKKVMRX-UHFFFAOYSA-N 441.538 0.967 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCC[C@@H](C)C3)CC2)c1C#N 477912224 SZRXCTBTKIBHLF-OPAMFIHVSA-N 429.569 0.876 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480952436 IZNSVLAPZBGJDS-UHFFFAOYSA-N 437.437 0.660 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 488985860 RPOUQNRLXZDTOO-CYBMUJFWSA-N 429.454 0.955 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 497951913 RMCMFGMOSXOLBY-PMACEKPBSA-N 444.557 0.628 30 20 ICED CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 500436258 QOASIBBVNZJJRI-UHFFFAOYSA-N 437.504 0.979 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C2CC2)c1=O 502045217 PJAPHAGZRJBLEC-UHFFFAOYSA-N 449.492 0.891 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504755360 IEFCQSYFVJEFDK-HNNXBMFYSA-N 436.490 0.158 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 505699689 JZGCIUSLMGPXOJ-GJZGRUSLSA-N 428.514 0.239 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 509012281 PMFVQAKIIPZVMR-UHFFFAOYSA-N 433.476 0.932 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1NS(C)(=O)=O 538079283 PHKBYOJHVQWHHB-UHFFFAOYSA-N 442.501 0.921 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545498012 WWEQUROVTBCYMA-UHFFFAOYSA-N 427.486 0.953 30 20 ICED C=CCn1c(Cc2noc(-c3coc(S(=O)(=O)NC)c3)n2)nnc1N1CCOCC1 545638464 OTZKRYJDYZRJMC-UHFFFAOYSA-N 435.466 0.443 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 551050261 QGHCGIRTWFINOI-INIZCTEOSA-N 433.578 0.057 30 20 ICED C=CCN(C(=O)NCCn1cc(C(=O)OC)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 556442879 QFDKGHCQURNUGG-AWEZNQCLSA-N 425.453 0.999 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 558099361 SZMXMDKFKMGVBX-KRWDZBQOSA-N 435.554 0.446 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 559601122 WPWRJUFELNWBFZ-LJQANCHMSA-N 428.537 0.465 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)n(CCC#N)n1 569659576 GMZYSNHCKDIZCS-UHFFFAOYSA-N 440.432 0.417 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 573965245 KVEVZKGDCXREJJ-UHFFFAOYSA-N 427.442 0.527 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)cc1 576137653 KDJHAPMKMOGPEK-UHFFFAOYSA-N 441.509 0.824 30 20 ICED Cc1nsc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C#N 580743034 JQQMZBHZJGTSPW-UHFFFAOYSA-N 445.549 0.427 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 581960295 RFJFXUNVJHQDIC-IRXDYDNUSA-N 426.521 0.801 30 20 ICED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 582620728 OBJXUDWCDJYSJH-CQSZACIVSA-N 439.520 1.099 30 20 ICED CCCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 583893557 DZIOJFSANXKMGR-WOJBJXKFSA-N 425.533 0.966 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1 604270284 LMOJGJFKYGLLOV-UHFFFAOYSA-N 441.509 0.513 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828384 RVYWUUNYGPMPDN-UHFFFAOYSA-N 434.477 0.256 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 609354884 FFMXIHCOQLTXGY-MRXNPFEDSA-N 441.492 0.978 30 20 ICED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609938104 FLJAFQKIHUBCTJ-UHFFFAOYSA-N 430.486 0.936 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 610230396 IDKXWWUQOVYULB-GOSISDBHSA-N 440.547 0.649 30 20 ICED C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731861830 PTNBKTVGLMDHSH-TZVDGHKPSA-N 431.493 0.766 30 20 ICED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 744906495 LOIRKLHDDMXJOS-UHFFFAOYSA-N 449.515 0.898 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CCOC 746597366 HEJLGJTWDFKMHS-UHFFFAOYSA-N 427.482 0.568 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 748224255 IUIDMDPUAKZOFE-UHFFFAOYSA-N 432.458 0.380 30 20 ICED NS(=O)(=O)c1cnn(CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 748425361 BNMRNXZLOGJONA-UHFFFAOYSA-N 444.391 0.260 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn(C)c2)c1=O 772304407 VBYIJXGBVVYIPB-UHFFFAOYSA-N 439.472 0.257 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 779560724 SRLXELCIIUDLPT-CJNGLKHVSA-N 446.533 0.868 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)OC)CC1 781531326 BXHUWHPQROUUKF-UHFFFAOYSA-N 430.505 0.982 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 783350664 OHKHLDGWXXKJGA-GASCZTMLSA-N 437.518 0.592 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 783538651 DOCQUJDWXYGKKP-UHFFFAOYSA-N 445.563 0.104 30 20 ICED Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)c1 793194927 CXWMKNVRZJKCGM-UHFFFAOYSA-N 434.503 0.909 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c1 797379687 AKZSFIRTHKEAMB-PTGBLXJZSA-N 449.533 0.552 30 20 ICED C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1=O 798586878 HVMMXSQKDPXMPM-SFHVURJKSA-N 437.518 0.717 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 808566808 CMEJYGNVMSFTMI-HNNXBMFYSA-N 428.399 0.681 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(CO)CO)c1 821571526 SKPFXYJOPICFCT-JWGURIENSA-N 440.522 0.078 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)CC1 842319914 GZWLBODZOKVIIW-GOSISDBHSA-N 435.594 0.990 30 20 ICED CON=Cc1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 853734209 WGIATYTUOHRBFJ-UHFFFAOYSA-N 437.460 0.849 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 857775373 KDYHOERAJCHJAP-LJQANCHMSA-N 441.532 0.633 30 20 ICED N#Cc1cccnc1NCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 918575416 JZXLBAAPVYIZBE-UHFFFAOYSA-N 433.465 0.955 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1116016227 TUIJPKPUBNESLM-UHFFFAOYSA-N 435.506 0.007 30 20 ICED CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1299565626 WNWQYHPVAHFMLG-GJZGRUSLSA-N 426.543 0.776 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1303836483 MDLHDACBKWLZKM-SJKOYZFVSA-N 429.522 0.493 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1318824808 ZTQMVDDOAJJQHT-UHFFFAOYSA-N 431.518 0.553 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1324130155 ZJNXVXRKLAHJBJ-QGZVFWFLSA-N 434.518 0.422 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(CC#N)n2C)CC1 1326862481 CKEGXYKZURQYFM-UHFFFAOYSA-N 439.523 0.111 30 20 ICED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359140784 LYURKFHDQJPATB-UHFFFAOYSA-N 437.932 0.841 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1 1455280203 NKKOYDNTUFNVNP-KBXCAEBGSA-N 431.470 0.962 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1504264700 VYDMAJNVVKYPOT-CHWSQXEVSA-N 437.526 0.945 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nnc4n3CCOC4)CC2)cc1 1518323382 PCWSMMQTXCMSKJ-UHFFFAOYSA-N 431.474 0.824 30 20 ICED COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1619471667 KBSFVEDLVWJAIG-WMLDXEAASA-N 449.537 0.801 30 20 ICED COc1ccc(CN2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1633464424 VOJHDSPVQOVCNF-UHFFFAOYSA-N 425.445 0.480 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(C(N)=O)cc2F)CC1 1656947807 JWMNZSUDQSVCJJ-UHFFFAOYSA-N 446.460 0.708 30 20 ICED N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1661979484 YKIRIJWSXPTYCR-GFCCVEGCSA-N 437.341 0.657 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1698484607 SVFXEEOACKURTQ-YOEHRIQHSA-N 427.502 0.554 30 20 ICED COCCN1C[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712472343 WOXPDPQNVMHSBX-ROUUACIJSA-N 442.524 0.363 30 20 ICED C[C@@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1743368147 UEXGBXWNKKHLQU-HZPDHXFCSA-N 445.549 0.719 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1767840752 MJKWXDXYSJRSPE-HNAYVOBHSA-N 447.496 0.628 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1768318383 NAFCVFDYPDJNFR-PMERELPUSA-N 430.534 0.880 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)c1ccccc1 1778000564 ULTCVRCVJHUUOX-OOICKAIWSA-N 426.561 0.984 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586464 FXBWKJRBWMUFLA-WHSLLNHNSA-N 428.493 0.843 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396484 KRZDIBYCGBAHHQ-NJNPRVFISA-N 433.549 0.710 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)n1cnnn1 1779446325 DEXHVGOQTWZBNN-VZRQTSGISA-N 429.481 0.460 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300354 RCSCAOMULMMFRD-OAQYLSRUSA-N 447.536 0.554 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1781398420 PUJJOXJVQNLIAN-PNLZDCPESA-N 445.520 0.831 30 20 ICED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783033409 QRYQECBHCLFQRZ-JOCHJYFZSA-N 426.473 0.999 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[C@@H]2C1 1783468605 ISPALVRETQMJIY-WHZNHKCRSA-N 447.488 0.017 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783884905 FIWSBBKUNYDYDR-SZNDQCEHSA-N 431.514 0.821 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787263010 NIFSPPKNNMIVLM-QAETUUGQSA-N 427.505 0.896 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc2n(n1)CCC2 1788414357 LWSZIVLUXUAVQF-UZRSVZKRSA-N 428.537 0.894 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788510501 JPBAGRQJWQHMON-FZWBFHRNSA-N 431.581 0.588 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888561 KXJYFNSVTWSJID-STECZYCISA-N 432.477 0.341 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C1)CC2 1791077603 MWBMGKKRUHPYFE-VKRLORBYSA-N 440.496 0.868 30 20 ICED CCC(=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 1793249754 MEXNGUQMDWWKPM-NFWAQSGPSA-N 438.488 0.552 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793346031 XKPLWCPBHHOECM-HCBXPFHNSA-N 425.485 0.737 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1793349096 GKLVZLCPGQQGPI-QZLJAVCYSA-N 438.550 0.361 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1793358449 GBCFSTIFRZRUAV-VWPFQQQWSA-N 432.502 0.550 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c1 1794368248 KPQYOVUHRCZDKD-IVWMJMPLSA-N 439.403 0.703 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1 1798695786 LGKBQUQCPYGTIY-RMFSNUHRSA-N 435.484 0.828 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799184951 TYTLBACHQFXBQV-RZXSNQJFSA-N 425.533 0.397 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC)C(F)(F)F 1800839501 QOFFFAWDPYPANR-SCAQPMJSSA-N 438.443 0.764 30 20 ICED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S 1800907683 IKOVAUIAZGFKMJ-OCVGTWLNSA-N 445.582 0.824 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1801006954 OGZBSQCLQHOFIR-IMLKGASGSA-N 429.473 0.572 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807853930 YAFPJZUKAYWEIU-UGESXGAOSA-N 441.576 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808439946 CYMIGNONWMHBMY-FUHIMQAGSA-N 445.520 0.190 30 20 ICED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1809295153 HBGZWBPTMKEGQB-UHFFFAOYSA-N 427.545 0.556 30 20 ICED COc1ccc([C@H](O)C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812874779 YITGIXFTUDFUMI-YHYVQYDKSA-N 437.452 0.918 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814763331 KXJQKSOLHORBBK-CQSZACIVSA-N 448.441 0.832 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955720 NRJQWYLYACLTJS-MBSDFSHPSA-N 442.516 0.436 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829782458 VPSNMFVTEHFTHL-IERDGZPVSA-N 425.526 0.498 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1830061409 BJEPLRUPAREJTB-JOCHJYFZSA-N 438.488 0.887 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830630334 KGMOODKJBPTQGZ-LAUBAEHRSA-N 426.510 0.359 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966758 SPURFXUDFDAGSY-IIHIVLJSSA-N 427.461 0.188 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2n1 1831213293 KRLUPDQGBNQHKO-QHCPKHFHSA-N 437.500 0.830 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1831393908 RDXKUWVVWZJEOP-VGOFRKELSA-N 433.480 0.732 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831427665 XGPFHPGYEFWRGG-JTSKRJEESA-N 428.489 0.995 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831608111 DBFSPRXGVUHURI-SZNDQCEHSA-N 448.907 0.793 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)cc1 1833114004 JGIAIYPQSNRCPX-DEOSSOPVSA-N 449.511 0.980 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)n1 1833883067 KDFCOLZEVJWLIM-FQEVSTJZSA-N 444.879 0.724 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834027884 HKZYZKKLWCGSDJ-QFIPXVFZSA-N 428.489 0.245 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccno5)CCO4)C3)c2c1 1834154342 HNNMGFNYFAGWOS-NRFANRHFSA-N 436.428 0.806 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1834766001 QKHVFKPJLXJFIT-JOCHJYFZSA-N 441.488 0.892 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)c1 1834876686 IELNMDNXIHACIN-UHFFFAOYSA-N 440.483 0.569 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836212213 ACXPMPTYAOGUJZ-FQEVSTJZSA-N 428.424 0.059 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837093823 DOWQYURBYDIWJZ-XMSQKQJNSA-N 432.521 0.472 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1837393505 SZYIYMYOBUVQLD-HTAPYJJXSA-N 433.505 0.733 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837402931 MGDSMCMEZPNGAB-GCJKJVERSA-N 434.537 0.693 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCC#C[Si](C)(C)C)CCO3)C2)n1 1837428461 KARQWEPLJUESCL-OAQYLSRUSA-N 447.612 0.936 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489018 WYQQLIJRPZYLJY-HSZRJFAPSA-N 444.532 0.347 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837524984 QPWQLJBUKXRWGL-VJIOCRDPSA-N 446.504 0.989 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1837658997 JVJNEUMVOZXUIX-FOIQADDNSA-N 438.550 0.062 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837670749 PSHCWYDGZYSUDD-JXFKEZNVSA-N 427.567 0.667 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741854 FEMIARLKXGNAOY-HRAATJIYSA-N 426.477 0.489 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1838907003 RWFQUQFFBRBNER-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108915 UGRXMCZRAQCGHE-DENIHFKCSA-N 434.581 0.435 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c(C#N)c1 1839131956 KEAZTWZQUORGQS-KSFYIVLOSA-N 430.505 0.161 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839159370 WCIPDDIMVBQMQA-HTAPYJJXSA-N 428.489 0.082 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1839174038 BTCWEUFRNZXPTE-AVRDEDQJSA-N 448.520 0.485 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371825 QWKMJYLIIALLAY-PXNSSMCTSA-N 440.518 0.828 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839842783 GHNZKJYBNPQESG-ZHRRBRCNSA-N 441.488 0.372 30 20 ICED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840211563 GUFJAZBPIJEFQK-QKKBWIMNSA-N 427.461 0.539 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1841600049 CKHINCADNQBAHE-KZNAEPCWSA-N 449.548 0.846 30 20 ICED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@@H]4CCCCO4)C3)CC2)CC1 1844301998 UTPSJJDXAKTXEY-SYVPYPDPSA-N 433.553 0.499 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C(=C/c2ccco2)NC(C)=O)C1 1845440536 TXWZKEDWVIYUMX-UULHPABUSA-N 426.473 0.818 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1845861488 NDFKFRDVWDBMSV-DLBZAZTESA-N 442.516 0.864 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 23470950 SNNCCGBANWXJHG-UHFFFAOYSA-N 444.561 0.993 30 20 ICED Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441971116 KVDPJIYPFXFAMR-QGZVFWFLSA-N 434.460 1.077 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 444404143 QTSNHJKQFWNORG-MRXNPFEDSA-N 427.534 0.734 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(-c2nncn2C)c1 465415437 IDHPBVDZWRXSIA-CQSZACIVSA-N 431.460 0.820 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 469289970 WZMYJEDLNMEFSN-INIZCTEOSA-N 427.548 0.791 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 475466124 LRCGKFBXYDEFFV-UHFFFAOYSA-N 429.470 0.494 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 477792345 FOCJUWLXATWRII-MRXNPFEDSA-N 430.548 0.817 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486914214 YNRKYJAJHKUNJK-GOSISDBHSA-N 439.476 0.440 30 20 ICED CS(=O)(=O)Nc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 502211389 FKAHXEULEZWMSN-UHFFFAOYSA-N 449.514 0.471 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)c2)C1=O 518998687 SCXVAIFVEICYKW-UHFFFAOYSA-N 447.455 0.639 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 521106165 ANZSBWGHWHHODO-JOCHJYFZSA-N 439.560 0.916 30 20 ICED Cn1cc(I)c(=O)n(CCS(=O)(=O)c2ccc(C#N)cc2)c1=O 535887516 GZIXARXSXSTLSQ-UHFFFAOYSA-N 445.238 0.497 30 20 ICED C=CCn1c(Cc2noc(-c3cncc(NS(C)(=O)=O)c3)n2)nnc1N1CCOCC1 546357125 UZKCQQRSLXMCQQ-UHFFFAOYSA-N 446.493 0.708 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1Br 550633331 ZQNIXOIVIVASMG-UHFFFAOYSA-N 448.277 0.209 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)c(F)c1 561149878 UQTDLCYXTVBAEP-INIZCTEOSA-N 426.452 1.218 30 20 ICED Cc1nc(C(=O)N2CCN(c3cnccc3C#N)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 561429768 VCFKXQMWTJDKRS-UHFFFAOYSA-N 432.370 0.942 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 571571937 RGYBOMUKQBEDID-UHFFFAOYSA-N 427.486 0.783 30 20 ICED N#Cc1c(CCCNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)nn(-c2ccc(F)cc2)c1N 590423524 WRXWKRVHKSIKSJ-ZDUSSCGKSA-N 449.512 0.430 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)cc2)c1=O 603793633 SRZNTADWEULBRD-UHFFFAOYSA-N 438.553 0.772 30 20 ICED CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc(OC)c(OC)c1OC 611601955 KVIOAYGWQOVUNY-UHFFFAOYSA-N 448.476 0.932 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 672373207 JTVCXBGSHHSRQB-UHFFFAOYSA-N 446.548 0.544 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCCc2nc3ccccc3s2)C1=O 726042973 QFEXMFBCTYORJG-UHFFFAOYSA-N 430.442 0.475 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 729281517 FKMDGAXJBOOGKJ-UZUQRXQVSA-N 445.564 0.407 30 20 ICED N#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 730503610 IMMHZRMOYSDXDV-INIZCTEOSA-N 432.502 0.728 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 732663734 DOAVKDJAIAGSKG-UHFFFAOYSA-N 429.571 0.525 30 20 ICED C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 735869322 PPBBNDZXMIFRKN-QGZVFWFLSA-N 441.531 0.365 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 737307026 FTOAIIUXIXFHRK-UHFFFAOYSA-N 445.563 0.761 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1F)[C@H](C)O 744852278 VXJMDVBSSXMKCU-BHDSKKPTSA-N 429.832 0.902 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 745354298 SRDWZPALYQUXKO-DFHBCGBQSA-N 427.527 0.690 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC1 749877038 UHNOSLZVDIONPM-LJQANCHMSA-N 433.306 0.994 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 756935906 BSCFOEDTRRSIEM-HNNXBMFYSA-N 435.554 0.077 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C(C)C)c2)c1=O 758069763 XFZGPBIQGJMKDJ-UHFFFAOYSA-N 427.530 0.366 30 20 ICED N#Cc1ccc([C@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C(N)=O)cc1 758093615 XCKPBMKSZAXPKG-HOTGVXAUSA-N 437.861 0.621 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 760879797 YRZWIWBRRZWANM-HMWBCQRISA-N 449.508 0.535 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 766979153 FVKZOQVKILOOAZ-UHFFFAOYSA-N 439.471 0.867 30 20 ICED C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775329772 NKSAKTDPUPMZRY-UXHICEINSA-N 447.557 0.905 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)ccc21 781595932 NUJBPRJGOLPLFX-UHFFFAOYSA-N 444.444 0.841 30 20 ICED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)C 783396112 IMIWXKYXRSMWMP-HNNXBMFYSA-N 443.547 0.514 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 796455691 MKUNBLZWPGVHPS-SSDOTTSWSA-N 427.298 0.632 30 20 ICED CCN1C(=O)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC)CCN2C1=O 802516388 PPQCZMFWOMIKBF-KRWDZBQOSA-N 439.476 0.848 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 804896289 KDMVQNGAYFJJGF-UHFFFAOYSA-N 440.488 0.573 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(N)=O 812280005 YZCBLDCQCNJAGY-UHFFFAOYSA-N 437.472 0.575 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2ncon2)C1 816568862 RZBITFVNZIQSFO-AWEZNQCLSA-N 432.506 0.527 30 20 ICED 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MSXYUKWQFGMWFZ-VELRTKLYSA-N 440.500 0.410 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1833147887 ABFHXJUDOLSEOB-UHFFFAOYSA-N 431.459 0.786 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767548 TWLCHMWYPRSYDS-KSFYIVLOSA-N 448.520 0.613 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918499 DZDVZESGMRRKHZ-NOXFTYBFSA-N 430.501 0.869 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835551336 GPTNOOVEWKFKCL-IIBYNOLFSA-N 440.541 0.261 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835712772 CAUOZEXYWVOYQA-ROUUACIJSA-N 437.585 0.578 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835806278 ABAGBODHBOKCJR-AUUYWEPGSA-N 439.538 0.905 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835970727 IVNFUNZKDKFEON-SFHVURJKSA-N 428.942 0.912 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1)c1cccs1 1836520939 YVHKDRPPXOYVRC-HXOPIXBZSA-N 434.514 0.980 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2)C(F)(F)F 1837288490 GVYMLBWQLIZLNX-GGXPGOJBSA-N 431.455 0.902 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1837493650 PKLSVYQBTCDMPR-ZYRMUBPZSA-N 432.517 0.034 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c(C(F)(F)F)n1 1837960759 SYCRNOSUYHIDMQ-KRWDZBQOSA-N 429.399 0.813 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838737483 UORIFCIPMHMLOL-OAQYLSRUSA-N 435.444 0.313 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1 1838832617 WHYRUKZUSGAYNU-NRFANRHFSA-N 429.477 0.639 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)s1 1839034415 IHNQCAVYUVDURM-NRFANRHFSA-N 447.513 0.837 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)s1 1839035539 VBVVKEFIDVBKOC-BFUOFWGJSA-N 442.559 0.852 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1839072316 MHLVKPUDWVGWSX-STXHMFSFSA-N 443.566 0.771 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205984 XQRLGNDITPVYLB-PBHICJAKSA-N 431.327 0.961 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1ccnn1 1839710841 QXJIMAKLBHGAFE-YCRPNKLZSA-N 442.451 0.620 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839889763 OGHQILRIYIYAPM-YLJYHZDGSA-N 444.523 0.290 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839997502 QPTPWSJTAFHENP-MHECFPHRSA-N 442.512 0.659 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2)C(F)(F)F 1840007147 QALFPATVYINPDB-CTWPCTMYSA-N 446.422 0.905 30 20 ICED Cc1cc(C)cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044188 PFDZFLMFVMOUBG-HSZRJFAPSA-N 428.485 0.780 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1840044491 JUBAIMZCGZVOAG-OAQYLSRUSA-N 446.887 0.916 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1840160287 DFDWDRQMTCKAAP-JTSKRJEESA-N 449.573 0.912 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845768850 SXANYLSEZLSHSO-MRXNPFEDSA-N 443.504 0.363 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847434993 QWMMFFHXGHEEJL-CJGGRQNCSA-N 427.501 0.406 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1847801125 IGCUQECPLQBDNZ-OWSLCNJRSA-N 435.521 0.862 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O 21650824 NHVUYBFJAUZLBJ-UHFFFAOYSA-N 440.378 0.759 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccn2)c1=O 443661230 AOOFPZFZULJXJU-HNNXBMFYSA-N 430.555 0.466 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1S(=O)(=O)NCC#N 446518603 BVHFUXHMGNNEIU-DFEHZGFQSA-N 442.497 0.334 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 460588784 UODAHALAFUVZKH-UHFFFAOYSA-N 427.428 0.693 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCOC[C@H]2C#N)c1OC 465463712 ZAXPWBXASXWMKB-CYBMUJFWSA-N 425.463 0.089 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CN3C(=O)C(=O)N(CC=C)C3=O)cc2)C1=O 468488744 OFDRLCCIGXWSRN-UHFFFAOYSA-N 438.396 0.323 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489020825 YRPYVADKOMCKDL-OAHLLOKOSA-N 443.573 0.340 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2CC)c1=O 489028931 SCLUPXFDPGMXBI-OAHLLOKOSA-N 430.530 0.661 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C 498986156 RKXKHCDHTBUABL-VQTJNVASSA-N 434.562 0.326 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 501281395 KKQVOXOKFXLPLV-UHFFFAOYSA-N 425.493 0.346 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nn1CCC#N 504430609 CXUKIWYLCHJYBT-INIZCTEOSA-N 429.525 0.635 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1CCC#N 504495846 HVSFCHFQDYSVFW-UHFFFAOYSA-N 442.451 0.933 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C 508359031 NBSGJFVBCDJWHO-UHFFFAOYSA-N 442.451 0.957 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@]12C(=O)Nc1ccccc12 514033408 UFNMEISESPBIRC-IFXJQAMLSA-N 449.558 0.420 30 20 ICED Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 556836510 RSNZFDNISOXXAW-MRXNPFEDSA-N 431.518 0.350 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)c(F)c1 557443074 SBDKULSXCINXAB-MRXNPFEDSA-N 441.463 0.343 30 20 ICED Cc1cc(C#N)cnc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 558860184 QQGANEABKXKNPP-HNNXBMFYSA-N 434.499 0.979 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 564068566 VZMQUUXOCWLEFM-SFHVURJKSA-N 433.472 0.309 30 20 ICED CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 569067891 CURPBOXPZHSPIX-UHFFFAOYSA-N 438.553 0.719 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 575788755 QJJQWXYBLCFXQV-OFQRWUPVSA-N 425.507 0.476 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@H]2CCCO2)cc1 580966057 WBNPAHDKPWPRFN-GOSISDBHSA-N 448.491 0.331 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 584077687 ZEUPBXNVPVRCNP-INIZCTEOSA-N 432.510 0.921 30 20 ICED CN(CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CC(F)(F)F 586857514 KKJCKJFZDIZOQZ-UHFFFAOYSA-N 428.415 0.683 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603985731 BCKHPEBURLFQRA-CQSZACIVSA-N 425.510 0.685 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911457 GHGLELHVFBOCNE-UHFFFAOYSA-N 449.330 0.187 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 611644431 FRUNDUSIFVKRKO-LPHOPBHVSA-N 436.534 0.171 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CN3CCCC3)nnc12 646221155 AEPAPUMTNRZPCB-HNNXBMFYSA-N 442.545 0.895 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726584782 HMUWXXWAVJTBBL-UHFFFAOYSA-N 448.549 0.484 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162442 FDUIHDMMKASKSH-UHFFFAOYSA-N 428.562 0.036 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673631 YLICVWWICHAMOJ-UHFFFAOYSA-N 425.557 0.044 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1cccc(OC)c1 732563344 VFGXSINWBKINOK-UHFFFAOYSA-N 435.509 0.929 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCCC(=O)OC)cc2)CC1 732893307 BSTNIORESKWOKW-UHFFFAOYSA-N 429.473 0.945 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)n1 738853850 CMVSBWQXIJMBHR-NSHDSACASA-N 427.442 0.739 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 741095309 KLFCAMSJDKKQAI-UHFFFAOYSA-N 446.464 0.700 30 20 ICED O=C([C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCSCC1 747440496 FDISYELXUUUAPN-ZDUSSCGKSA-N 440.572 0.202 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(C)C(C)(C)C#N 749956105 DITUMMLFFQCWEF-QFIPXVFZSA-N 442.472 0.916 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1=O 749979931 PDPFUOBVSXFCLL-SJORKVTESA-N 447.536 0.975 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)nc1 753166529 GCACJBKGRUSPDB-ZCXUNETKSA-N 428.449 0.273 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccon1 765146839 XLIVNNUHHJZWEY-UHFFFAOYSA-N 426.502 0.326 30 20 ICED C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 774443365 PMNICOJXLHIYLS-JJMFFDHPSA-N 442.563 0.711 30 20 ICED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783424138 BLUKQUJPOKFPJO-ZDUSSCGKSA-N 443.476 0.918 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[nH]1 786091117 JFHBOAKPGKJHMT-UHFFFAOYSA-N 432.458 0.380 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CCOC 790420983 KYMAQHOEPKPPND-UHFFFAOYSA-N 427.935 0.537 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CC)c2)c1=O 794614445 GSOGGCWMZCJNGD-MRXNPFEDSA-N 430.530 0.661 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 799200087 YQTQMXZEILJAAA-OAHLLOKOSA-N 429.458 0.974 30 20 ICED COCC1(S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 811153073 FDCBOOXCCSQSMS-CQSZACIVSA-N 443.547 0.765 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812277005 QDUUWOKXFQTDPY-UHFFFAOYSA-N 439.513 0.679 30 20 ICED O=C(N[C@H]1CCCN(O)C1=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 816755489 BFVKPNYIPZOJTJ-NSHDSACASA-N 427.387 0.856 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 918342671 QNRGCQKLZNXZTM-UHFFFAOYSA-N 442.497 0.403 30 20 ICED CN1CC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919062238 VPZGSYWGYXIJOG-CQSZACIVSA-N 441.444 0.866 30 20 ICED Cc1nn(CCC(=O)N2CCO[C@H](C#N)C2)c(C)c1CCC(=O)N1CCO[C@H](C#N)C1 1254339520 YKENDKOYAMUJDC-QZTJIDSGSA-N 428.493 0.325 30 20 ICED CS(=O)(=O)[C@@H]1CSCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319071261 OGEWIRLKCAERLY-GOEBONIOSA-N 436.515 0.709 30 20 ICED N#Cc1cccc(C2(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1322770773 YECKGHORNPUROW-GOSISDBHSA-N 431.514 0.464 30 20 ICED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 1326381557 PJQMKHMQHCOJRQ-OAHLLOKOSA-N 439.559 0.852 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1519620414 QMPKBACAWZAGRR-QGZVFWFLSA-N 426.449 0.987 30 20 ICED Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523851360 DKDKMCWVPRLMAQ-MRXNPFEDSA-N 439.515 0.114 30 20 ICED CC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1613085390 BOKDWXLTHRUPLP-HNAYVOBHSA-N 440.570 0.902 30 20 ICED CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)c1=O 1615727807 YBRZSUPYRFCBTF-LJQANCHMSA-N 447.499 0.998 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1615844246 QKHSWVHHXMVTRK-RCCFBDPRSA-N 437.614 0.802 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1624985849 CJJOLRMVYFQKCQ-CYBMUJFWSA-N 427.490 0.675 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1706071836 YJSCKOWOZXJOLZ-CABCVRRESA-N 427.575 0.595 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1711318534 VXFCXDMXJZZUHG-IBGZPJMESA-N 431.522 0.328 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c(OC)c1 1711774261 CSRWPQZLDICNDT-AWEZNQCLSA-N 436.494 0.240 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCO2)C1 1770349615 PPYYDOPBHYDURJ-DLBZAZTESA-N 438.554 0.920 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553163 PETODXHOBXMAFH-XZEIMLRBSA-N 427.461 0.821 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1778970936 HAMYSBCOQZZLMM-AOMKIAJQSA-N 442.520 0.758 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779102143 WURMSEMYIKQDGY-DOXZCSRISA-N 435.481 0.401 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779102722 XHIJHZFZSOVQAE-UZWDYZERSA-N 442.476 0.702 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779533737 GSDYDMUGGRCOOU-KXCPTRETSA-N 430.505 0.903 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2)C(F)(F)F 1781805380 OCGLZRCGRWVDMG-KZULUSFZSA-N 441.410 0.822 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3ccc(F)cn13)C2 1782015662 XLSHUJVPZXOYPJ-IIBYNOLFSA-N 428.420 0.689 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783981198 RDQVZXAUNPMICJ-LJQANCHMSA-N 438.406 0.875 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1784496618 AXMXISSNZVNUGS-YGGSFQBMSA-N 433.509 0.878 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1784519799 IWNUVYBPRGGESL-QZHFEQFPSA-N 433.530 0.832 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c1 1785077192 SBNBVDPPCIRQFI-IVZQSRNASA-N 439.472 0.309 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1785422849 OLVHKNKGLDCJCE-JTSKRJEESA-N 435.521 0.866 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc(C(F)(F)F)c1 1785629819 AOHUYQYIDUJYII-GOSISDBHSA-N 439.394 0.689 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1787089939 VVEBVTPSVBGRPM-SZMVWBNQSA-N 428.880 0.358 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787497423 GWFWYMBTBOFXMX-AAEZLKGMSA-N 434.562 0.962 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789098756 QPQOIQXFFKIFIF-ZJOUEHCJSA-N 436.468 0.864 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n[nH]4)C[C@@H]32)c(C#N)c1 1789839628 OIBYJLZVJBWHEN-FNHZYXHNSA-N 439.472 0.832 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936143 VUWUHWVFZIXLSZ-QMHWVQJVSA-N 445.582 0.560 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Oc3ccccn3)[C@H]2C1 1791618782 JYLCOGWRIKDHGN-DIXNWWEZSA-N 442.516 0.687 30 20 ICED 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)CC 1792866992 QWROWTSWLPBDHY-PHGYOMLWSA-N 437.537 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1792972243 DVDQHRSKHUNHKG-OYNZLANYSA-N 436.505 0.675 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)OCC)CC1)C2 1793349905 QTVYDFJLJSUENP-OQIJWPOYSA-N 435.521 0.483 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)c1 1794323349 SOQMPQQHROBJNK-SCAQPMJSSA-N 432.502 0.382 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)nn1C 1798188531 PPZOVMQLQVTXIA-NFFDBFGFSA-N 428.411 0.680 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)ccc1F 1799325094 ALMZTBYDHOGKKQ-FEJSZKPUSA-N 438.459 0.691 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799326912 KTPFSONSPSAZSO-CWPLJXCYSA-N 447.536 0.313 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799625194 PKIFCHYOTKTJLW-JLVBRIDZSA-N 427.505 0.271 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 1799627659 GDNQIYKRKMFKMU-GXDSFMDGSA-N 446.435 0.796 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1803544669 FZKLAPMAGFNKQC-SIXWZSSISA-N 437.456 0.928 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807043062 IXGGKLXETIZNPY-SXWKCWPCSA-N 433.512 0.732 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1807190334 IZAFTAMDYQJULD-GBUJGOBCSA-N 440.504 0.392 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807681943 NOEMCNSFUUNQCV-FXAWDEMLSA-N 426.477 0.889 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812943 LKZXTIOEFWEWLD-RISCZKNCSA-N 441.452 0.433 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819475833 BGYRSGNBTKBNNM-BTKDNQOKSA-N 441.448 0.712 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1830057756 LIFPOTWEQZORBN-JOCHJYFZSA-N 426.473 0.801 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)c1 1830347138 VMDCCQVNOUVILJ-JOCHJYFZSA-N 440.456 0.741 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1831387009 DAOYIHNYMYDHPY-JPYJTQIMSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1831387320 NXNZXSQECFVPFV-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831427977 WOTNNSVVEJNFND-KKSFZXQISA-N 429.477 0.390 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831481911 BVDKQOHUWMGBIK-SUMWQHHRSA-N 429.568 0.604 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1831493980 WOYGIWYMDRPOGI-MMOPVJDHSA-N 437.562 0.820 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncccc3C)CCO2)C1 1832773525 FKPFAORDTMTZMV-WMZHIEFXSA-N 429.517 0.817 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1cccs1 1833027498 OTJWKIOREUBKDZ-NRFANRHFSA-N 431.514 0.348 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833086792 CZUZOXYLOAZRRX-IQTGRTGDSA-N 429.477 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCCN3C)CC2)CC1 1833319433 JLFWPQCJGKILGE-NJRZHNRPSA-N 445.608 0.901 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)o1 1833901220 YHCIAIJZCHNAHC-QFIPXVFZSA-N 439.472 0.996 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767099 LSQCYXMDXJMTDW-URZJWIJPSA-N 448.520 0.613 30 20 ICED Cc1nc2ccccn2c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835306938 QSMIVCACTVZTHE-UHFFFAOYSA-N 437.500 0.916 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835621090 UAKXSOZHQWQWKU-QHCPKHFHSA-N 444.532 0.782 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753260 GCXPHTUNJNDTMS-SFHVURJKSA-N 432.565 0.391 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837173291 RLJJOPMLXNIZRH-KSFYIVLOSA-N 426.473 0.671 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838907034 UZODMGXEKFNMCI-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839036831 PQTHRZYULJCGBH-YCRPNKLZSA-N 432.452 0.314 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1839176446 PEJJIHMXBHYYMV-OXQOHEQNSA-N 444.550 0.066 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186396 QIXOBJRLOFWXPG-UGKGYDQZSA-N 432.496 0.694 30 20 ICED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)COC1 1839775309 VIWQPKMNAPCDEO-HSZRJFAPSA-N 427.501 0.984 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839881748 IADIHECSZWCAEW-MFEFFIJZSA-N 442.516 0.908 30 20 ICED Cc1nc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2s1 1840042598 CXQHJEWYQOZZTF-OAQYLSRUSA-N 443.481 0.763 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1840042661 HKOHPRCVXHMAPI-ROUUACIJSA-N 432.395 0.448 30 20 ICED COc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813823 XMUZFHCHBRBKCL-NRFANRHFSA-N 432.452 0.993 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840861407 LVZFHMBHUCVTAV-NRFANRHFSA-N 430.432 0.402 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842908054 WKGFPOWCJJDJCZ-OAHLLOKOSA-N 434.541 0.499 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O 57934478 GBJPJLADICCPPB-UHFFFAOYSA-N 445.907 0.546 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)n2)cc1 429948035 VOTAAEDOSDPQOT-AUSIDOKSSA-N 448.458 1.558 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 430372759 SQDMUSLGRARNPQ-MSOLQXFVSA-N 444.598 0.595 30 20 ICED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 438793168 GCBNDTFFKLLBJH-LBPRGKRZSA-N 432.506 1.315 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1C 441012006 QHSIKRCTLDLTQF-LJQANCHMSA-N 440.504 0.451 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cnn1-c1cccc(C#N)c1 443691637 UGIBMZNCROAGSG-QGZVFWFLSA-N 435.444 0.398 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 460611197 DGXVTEANXVKUMH-LBPRGKRZSA-N 435.366 0.665 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 470419761 SLVBVSXZYFADOE-IAGOWNOFSA-N 425.507 0.051 30 20 ICED COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OCC(N)=O 480519754 HKAHVVXJLQWTEY-LBPRGKRZSA-N 432.458 0.736 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 482837667 KEKRYLGQONSASH-RRQGHBQHSA-N 425.532 0.793 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)nc3)C2=O)cc1 488595403 MKEHYJVMKNJNCK-LJQANCHMSA-N 448.483 0.646 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2F)c1=O 502043856 BEUQHJITLYYRGO-UHFFFAOYSA-N 427.436 0.692 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 502592028 CYRXXBMMMZKAOW-IBGZPJMESA-N 425.599 0.569 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 515702076 UWERZBSEMAMFAB-FGZHOGPDSA-N 439.560 0.696 30 20 ICED CN(CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C)S(=O)(=O)c1ccc(C#N)cc1 526920593 NVGPHVUQGGQEKC-WMZOPIPTSA-N 448.524 0.641 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cs1 527173904 HCCYKXLZPLJHPU-UHFFFAOYSA-N 445.526 0.745 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@H](S(N)(=O)=O)C1)CCCC2 538964283 KQVSJXKNLOAYHL-GJZGRUSLSA-N 435.550 0.719 30 20 ICED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N3CCC(N=c4cccn[nH]4)CC3)[nH]2)c(F)c1 543931127 NOHGVCXSIDVFRN-UHFFFAOYSA-N 434.435 0.558 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2=O)cc1 550947204 QPTOQSQCDKPEBK-LJQANCHMSA-N 443.467 0.672 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 552902812 RBTPRQIUAHYKHE-BBRMVZONSA-N 432.506 0.650 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 555274848 NMMRDSTXKVGFAO-UHFFFAOYSA-N 437.526 0.632 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c1=O 555426484 ZVPHLXVGMNVDIL-UHFFFAOYSA-N 431.562 0.826 30 20 ICED COC(=O)Cn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 558498554 NDAJHQLNDFYOKI-UHFFFAOYSA-N 431.474 0.967 30 20 ICED CC(C)OCCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 572039107 XQSAFDXREAVOHF-UHFFFAOYSA-N 428.537 0.607 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)CC2)nc1 587654958 VURMVZPBLSWBHG-UHFFFAOYSA-N 435.488 0.898 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 609037584 SPWAZRZTERQVAO-UHFFFAOYSA-N 443.554 0.213 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728534369 KFSIXRDWVFOUPH-UHFFFAOYSA-N 432.546 0.368 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 728570619 HZTIRFHCLRMKLA-UHFFFAOYSA-N 427.368 0.836 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730372158 VOUPQFHWSOFHED-CYBMUJFWSA-N 426.495 0.614 30 20 ICED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908456 LTVZPAAWLBYKOW-KRWDZBQOSA-N 438.527 0.982 30 20 ICED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1C 732908720 PZZYPSHEPZTDOP-INIZCTEOSA-N 447.542 0.942 30 20 ICED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 732908991 VFASPNMIESBNBK-LBPRGKRZSA-N 434.392 0.972 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 743908140 VCRJHZRSVJISQF-UHFFFAOYSA-N 425.482 0.401 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCN(C)C(=O)C1 744990469 ILFOICULYHIQAA-CQSZACIVSA-N 426.429 0.778 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746172397 DXHRVWBKWBVRGT-UHFFFAOYSA-N 448.526 0.664 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)ccc1F 752740789 UOEPTPGXGNSQDX-UHFFFAOYSA-N 441.525 0.589 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H](C#N)C1 754388267 YODNPSFVMOGGKM-AWEZNQCLSA-N 436.490 0.531 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 768734391 MERKDQMDNOGNSL-LJQANCHMSA-N 425.507 0.714 30 20 ICED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 771896792 IOIPBUJTAPRFHX-UHFFFAOYSA-N 429.296 0.939 30 20 ICED COC[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)OC 781541507 UCMHBDWNMGXPTG-HDOZFUISSA-N 426.495 0.216 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)O)cc1C 787553582 OFSFLPHSSZGFAI-INMHGKMJSA-N 437.518 0.825 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 787760672 UVOCWKQHDQSXCD-HXUWFJFHSA-N 436.516 0.541 30 20 ICED Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 790376816 ICAFPHDPRDJRFD-LSDHHAIUSA-N 440.526 0.483 30 20 ICED C#CCCN1CCN(C(=O)[C@@H]2CC(=O)C[C@@H](C)[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 791127432 PMDFNFFXBIQLHD-YMPZKCBVSA-N 440.588 0.553 30 20 ICED C[C@H]1C(=O)CC[C@H]1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796232590 KUJPQKTYYQBQTH-CVEARBPZSA-N 447.513 0.940 30 20 ICED C=CCN1CC[C@H](OC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 798572336 PWHMXLCOLOTCTG-KRWDZBQOSA-N 437.518 0.777 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800777364 XQQKGIWIPYJLSG-UHFFFAOYSA-N 443.533 0.873 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804747589 ILVWBPCYVQKDSV-QGZVFWFLSA-N 441.488 0.905 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 837285329 LFHKBVZDMPPOEV-UHFFFAOYSA-N 437.525 0.916 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 894593792 CBZTUVZKCXBIKT-CYBMUJFWSA-N 447.448 0.820 30 20 ICED CC(C)OC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918247804 COWPPSXJWGPPEM-CJLVFECKSA-N 438.506 0.896 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCCCC2)cc1 918262190 JXGQSCNCMKVEJV-QJOMJCCJSA-N 449.533 0.567 30 20 ICED CC(=O)NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 921165228 OBENZAHFUKZPSW-HAVVHWLPSA-N 437.522 0.470 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1296606235 NMTOISAOOMBQLZ-FHLIZLRMSA-N 427.502 0.807 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCn1cnc(C#N)n1)n2C 1328564851 MRCWSKRETISVQT-UHFFFAOYSA-N 430.494 0.036 30 20 ICED CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1360149682 YRTOFTCUBUZUEY-OAQYLSRUSA-N 444.561 0.897 30 20 ICED CC(C)Oc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1509816938 PBAZOAOAYRDHSY-GOEBONIOSA-N 449.537 0.848 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1517536270 MUNQBYAOSXLMGF-OXQOHEQNSA-N 428.518 0.636 30 20 ICED COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519236241 UMQAGTNYQQFYHH-QRWLVFNGSA-N 433.488 0.337 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)N(C)C 1727608822 XZQJDPAKYBKMBA-AWEZNQCLSA-N 433.542 0.109 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1764188301 SSJHGWMVNDGJOK-GOSISDBHSA-N 446.556 0.089 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)c1 1770749144 YOYGGQBXDXJGQW-INIZCTEOSA-N 429.506 0.164 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 1771534409 AAVVEFZJQNMJAR-IIBYNOLFSA-N 426.477 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778242597 UTEWXNYXIWRLTE-AAZQJQCHSA-N 425.485 0.678 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778859746 MWNCJBLYTYNIFQ-XUJKJYMVSA-N 429.561 0.855 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778958933 ZQRBAFHDEBKHBM-ZHRRBRCNSA-N 427.505 0.904 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1778971209 JOFILARCZXFIBN-BTYIYWSLSA-N 446.529 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=S)NCC)C2 1779340498 XANDQLCWKLHYFI-GCKMJXCFSA-N 440.610 0.557 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CC2)C3)no1 1779432694 XTOCKRHQQUOPNX-IIBYNOLFSA-N 429.477 0.531 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1782187381 XOBNLHHMUJNTQU-ZXYWRSMDSA-N 438.506 0.589 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783452578 NGXNUXJDBXDCLN-UZUQRXQVSA-N 447.532 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CCC)C[C@@H]21 1783531842 ZPRBZWLAMHXXLP-JROFNHFXSA-N 434.537 0.129 30 20 ICED C[C@@H]1[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1783569602 WLYBEBNMRLWJHN-ZMPRRUGASA-N 449.504 0.550 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)cc1 1783602768 LYLJUXREOLZRSF-FHWLQOOXSA-N 445.483 0.832 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C[C@@H]21 1784484882 FENQHYXUHIIOHF-XSLAGTTESA-N 437.537 0.918 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c(Cl)c1 1784583932 LYRBUISNGYZMBC-CSFVBSKPSA-N 432.864 0.913 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537990 OBPLUSCWMGJGJV-KRWDZBQOSA-N 429.589 0.596 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1785575701 BOFSFXDTLNFFIQ-JTSKRJEESA-N 433.505 0.712 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786259152 GNZVHTUTVUUICJ-WFXMLNOXSA-N 447.495 0.272 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cc1O 1788656529 QBGMBCWGBQUBDF-IKWHRECTSA-N 435.481 0.248 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1791476771 PKVNDYURGQGMPL-SNRMKQJTSA-N 444.488 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2 1792490063 IWDKWWVKIBEXKH-PVOANONBSA-N 439.512 0.612 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792492342 BMNZJXMMKPTMGY-YWVIFJGQSA-N 429.481 0.008 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CNc3ccccc3O1)C2 1793344829 UCXOGUUXRRBEPX-ARNOYJHMSA-N 427.501 0.878 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)NCCC#N)no1 1796045869 RVRHLAULZDAZJT-MUJYYYPQSA-N 430.509 0.633 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)CCC1=O 1796443616 UFYVOHQRCNVTII-VDUVZGRWSA-N 444.513 0.685 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797812027 KVBQVJHFLSGJNE-RIGITQAISA-N 442.476 0.690 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798692453 ONCNNPCYDSWCBP-ALXJQNPVSA-N 443.504 0.956 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CN)c1ccccc1)C2 1799304833 AFXKNQOAPKEBMW-JTJHWIPRSA-N 429.517 0.828 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1)c1ccc(O)cc1 1799412249 LJVCKBRDBVASMW-CROMWVBPSA-N 437.500 0.771 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(O)nc(O)c3)C4)c2c1 1799883542 VONSVAZQKYTEGC-HBCWATKFSA-N 448.439 0.758 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800036661 ODTNZWUNSXRBHX-FRQROOTJSA-N 444.513 0.367 30 20 ICED Cc1nccn1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800277737 BTMXLCFKSYUUFS-CWPLJXCYSA-N 433.472 0.843 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(F)(F)F 1800285037 RYZSSOIETUIVCM-JJLQDPRZSA-N 444.366 0.465 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC3(O)CCCCC3)C4)(C1)C2 1800703490 FZZBFCAKHDWVEK-HBNULIMFSA-N 444.528 0.618 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804339967 CHTNLXSSJCWQTP-UWVAXJGDSA-N 443.504 0.668 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812392093 HGQJDDLEOOODPZ-QAPCUYQASA-N 438.444 0.144 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1812675629 VJPOKZUAZAXOGR-KCQAQPDRSA-N 439.394 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1814436111 KLTCNISJKMIDIW-JTGQJZMRSA-N 430.509 0.592 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567168 MWURFZWLRZOJNZ-PCXKXAPESA-N 434.566 0.859 30 20 ICED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](N)CN)[nH]n2)c(C#N)c1 1820836577 YMXDRDXJRQMMFU-FUHWJXTLSA-N 425.493 0.811 30 20 ICED C=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)C(O)O)CCN3C(=O)OCc3ccccc3)C2)C1 1828517846 HZXOGOCCNUMPBO-QHCPKHFHSA-N 443.500 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1829763792 BBTHBHBBMGNJQN-DYRFGFBLSA-N 446.479 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3)C2)C1 1829773463 KJCQBOBNCOKJNW-NOABYQSRSA-N 430.505 0.364 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1830641312 WJCLKYFTXBELQW-OAQYLSRUSA-N 438.594 0.695 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncoc4c3)C2)C1 1831393288 WEPHKLJLBJBIRO-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832893327 WJAKBBMPRQCTBJ-FQEVSTJZSA-N 430.486 0.433 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833235641 SVUUHDUXSHGMEV-OAQYLSRUSA-N 442.451 0.139 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1833464226 RQOOLELPBLXHGU-GOSISDBHSA-N 436.622 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3C)CC2)CC1 1833580582 OWWPGBFBOFRQIR-WAYWQWQTSA-N 442.564 0.772 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833770957 LDMYTUBFRXPMJP-UHFFFAOYSA-N 426.521 0.687 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095933 KIQRCBDBQFNNLX-XMMPIXPASA-N 441.528 0.801 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835677228 CGMCRALPBWLVJW-BHSKHCGUSA-N 448.568 0.196 30 20 ICED Cc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837440745 WPSVJSRBAGQKDQ-GVFUYMABSA-N 443.548 0.861 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1838276285 RJPAUOQONRFQAZ-IIBYNOLFSA-N 435.525 0.853 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838739284 PSZPYKFHLAOLJQ-NRFANRHFSA-N 440.460 0.459 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838907245 GWYGOGBWBSQDNF-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC)c1)CCO2 1838926411 SMVHNCKNAYCCPJ-YLNCNTMDSA-N 443.500 0.624 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222170 GIYIGCZUWFYDRZ-KNBMTAEXSA-N 426.514 0.158 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361812 GCNJDGYLCLJWGZ-GAJHUEQPSA-N 442.516 0.689 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839681251 IUYWYOIUJXFCMZ-ZRGWGRIASA-N 432.539 0.959 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1839807504 DSAQGBRROSEPJO-GOSISDBHSA-N 439.310 0.448 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)s3)C2)C1 1840041208 YIEHFRSJWDBKAH-SFHVURJKSA-N 426.878 0.488 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840162093 LUGKSTIMHYVRMV-VBKZILBWSA-N 431.518 0.860 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840277958 OABAOYDDOFLPAC-DEOSSOPVSA-N 440.496 0.886 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840380916 BMQZSQNKWFLLNB-FQEVSTJZSA-N 442.501 0.539 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840568229 JRNGOJGODOQCIG-QHCPKHFHSA-N 444.532 0.734 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCc5nc[nH]c5C4)C3)C2)CCC1 1840816422 RWMZVZGQRWPAEY-AOMKIAJQSA-N 427.505 0.665 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840842513 KUPYHAUCWVWWBU-JOCHJYFZSA-N 425.441 0.305 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840843113 VHBBIVVLDIJNEU-JOCHJYFZSA-N 430.505 0.157 30 20 ICED CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195415 NYYLNKYWYYDGRU-HOTGVXAUSA-N 449.504 0.598 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1847580307 UTTFEIWRDWTNCT-ZULIPRJHSA-N 447.557 0.902 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccccc3)CC2)c1=O 8190860 KRMZHORHZVSTQQ-UHFFFAOYSA-N 425.489 0.852 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 430372764 SQDMUSLGRARNPQ-ROUUACIJSA-N 444.598 0.595 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436223657 XYXQVCTZIUXMND-QGZVFWFLSA-N 425.489 0.615 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1=O 440279949 HKYVRPAFQHNHHV-LJQANCHMSA-N 441.532 0.648 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnc(N(C)C)n2C)cc1 440316402 SCQQQWCIFFIOHG-UHFFFAOYSA-N 434.522 0.548 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 447006602 MJFBUCRAVBXAQC-KRWDZBQOSA-N 441.532 0.696 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c(F)c1 463767065 WBURYROSOGTVRC-NESDPSEASA-N 426.448 0.945 30 20 ICED Cc1cc(NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n(-c2ncccn2)n1 467600121 KDLZOYMQIAKSMC-RCDICMHDSA-N 442.439 0.781 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 481602621 GOQPIIHIAKGYSZ-KRWDZBQOSA-N 446.547 0.884 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccnc3N3CCOCC3)C2=O)cc1 488633216 ZLIBKBIEKAWDFE-IBGZPJMESA-N 448.483 0.646 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490747926 XGBHUBKYINWDIO-UHFFFAOYSA-N 435.444 0.873 30 20 ICED N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 510932400 NHAMENAAYFNOBT-UHFFFAOYSA-N 439.469 0.755 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)cc1 520102360 AUJCDHMVONWRSW-UHFFFAOYSA-N 448.526 0.493 30 20 ICED CN(CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 521502634 XIRIKRFRIINLLN-SFHVURJKSA-N 434.518 0.419 30 20 ICED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2F)c1 523535874 PYAZYFYZXNKJHX-UHFFFAOYSA-N 427.435 0.949 30 20 ICED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549256437 LNXSKJJUMKAMBP-HNNXBMFYSA-N 444.517 0.072 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1=O 552345297 ROBAZLVTMMBJKB-KRWDZBQOSA-N 432.525 0.366 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 553976744 LORZKFRIUJBIMP-XMMPIXPASA-N 441.576 0.604 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 561858675 SUIAOYWFNOTCDE-IEBWSBKVSA-N 434.500 0.786 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2=O)cc1 563474879 WGGBUQYMQQJZIE-OAQYLSRUSA-N 446.511 0.909 30 20 ICED Cc1nsc(N2CCN(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1C#N 573846803 NDUJADQUDNWQKB-UHFFFAOYSA-N 440.489 0.623 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2=O)cc1 575165662 CWZYLQBFVAOIDQ-DOTOQJQBSA-N 426.477 0.077 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 587640142 IRJRDQAKTBZKRF-MRXNPFEDSA-N 442.520 0.134 30 20 ICED COCC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 589038258 IYDRHWNFDPFJSA-LJQANCHMSA-N 441.506 0.773 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118290 ASIZPHAXQPJMLR-UHFFFAOYSA-N 431.539 0.412 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 609570918 AREMXLVNHGWDBI-UHFFFAOYSA-N 437.525 0.846 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610290331 RBHDFPQKMRXEDG-LMSBXDPUSA-N 439.472 0.625 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 610532059 UKYFMNFPHCXYJK-INIZCTEOSA-N 440.460 0.706 30 20 ICED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 670227597 WMZUINSNYMXXHO-IYBDPMFKSA-N 428.559 0.477 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1cnn(CC)c1 726180660 QVCMHYWJYCBUMW-UHFFFAOYSA-N 439.545 0.495 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)Nc3cccc(C#N)c3)cnc21 727223470 QRTSEZXRDSHZNJ-UHFFFAOYSA-N 445.233 0.946 30 20 ICED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)N(C)CCC#N 728924711 HMEQWPSNUIUKHC-ZDUSSCGKSA-N 427.454 0.764 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 733149028 VOILIKRBCHGDGJ-UHFFFAOYSA-N 425.449 0.381 30 20 ICED COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 733661289 KPPZGNBYZJMMSB-UHFFFAOYSA-N 431.474 0.540 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675111 WUNNSEXAOIWEGG-LLVKDONJSA-N 428.423 0.159 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)nc1 741448744 FHIBZJMICKDCHZ-CQSZACIVSA-N 436.538 0.226 30 20 ICED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 743970335 ZDAIKTOCMXTNBM-UHFFFAOYSA-N 437.518 0.963 30 20 ICED C#CCCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 747405233 XOOPCQGILKGHEQ-UHFFFAOYSA-N 425.576 0.915 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 761023572 IMRDGFNMOAVFOA-UHFFFAOYSA-N 430.914 0.381 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1cccnc1 763460329 IYWDGKVTXJVOGD-UHFFFAOYSA-N 437.525 0.152 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)cc1 763800084 RKILMKZJWHLVPS-UHFFFAOYSA-N 435.527 0.826 30 20 ICED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1N1CCN(C)CC1 765345926 DXURBKKYBDNXHN-SJLPKXTDSA-N 433.578 0.600 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)[C@@H]1CCCO1 773801253 XOAGMBNMXXFWQN-MJGOQNOKSA-N 433.530 0.903 30 20 ICED COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCCC1 793196996 LQTJHWVYWKZECV-UHFFFAOYSA-N 427.504 0.843 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)CC1 796201840 NRVVTIVWOYKJNQ-CVEARBPZSA-N 429.543 0.083 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 800849095 UWAQBQUIDOFBSH-UHFFFAOYSA-N 435.534 0.787 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 803402493 GSKHKCZLFHUOPQ-UHFFFAOYSA-N 426.451 0.411 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 811475360 KBQVQRCVUHRGJD-UHFFFAOYSA-N 442.501 0.539 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 852964036 KTVDTAMYJRMFNM-QGZVFWFLSA-N 449.529 0.289 30 20 ICED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916870678 KHBYEAZIXUPHGL-GOSISDBHSA-N 437.518 0.961 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCCNc2ncccc2C#N)CC1 918135621 RKBDPMXGSRFVFL-UHFFFAOYSA-N 431.497 0.744 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(C)(C)O 1303863954 XCUMJSMDNHXSIG-ZFWWWQNUSA-N 425.559 0.226 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1318041384 NJDUHSCXYKSJSJ-QILLFSRXSA-N 447.513 0.878 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]2CCCO2)cc1 1321776734 MOUWVMXFWCJKRW-HOTGVXAUSA-N 441.531 0.031 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1330904766 SJLPGMYNAOCRDD-VLGSPTGOSA-N 438.893 0.991 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c(=O)nc1O 1470360991 NLRBDYVGXXDRLR-INIZCTEOSA-N 439.472 0.644 30 20 ICED Cc1ccc(NC(=O)[C@@H](C)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1473583787 JRBKPZZFMULDQI-OXQOHEQNSA-N 436.534 0.693 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1555812018 VUKADMGEXSDOBQ-UHFFFAOYSA-N 446.533 0.725 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1611696677 KDUVJOFACVDZJM-XJKSGUPXSA-N 432.572 0.453 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1617341746 PHPFFZGOULJOQO-SFHVURJKSA-N 441.533 0.628 30 20 ICED CN1CCN(C(=O)CN(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1620462707 KDPPICYJXYFTKS-HXUWFJFHSA-N 430.528 0.240 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1692664492 ODGSPCNSIPXTDC-HOTGVXAUSA-N 439.586 0.834 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1711020670 XCNHCVOZFJYYNL-OAHLLOKOSA-N 444.583 0.202 30 20 ICED CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1751238306 ULLPRQGKFPUUCE-BBWFWOEESA-N 439.586 0.737 30 20 ICED COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1770978771 LHMNJMGFJFQDMQ-QFIPXVFZSA-N 442.520 0.899 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098562 JKMIRGXIKPIKLQ-UEXBOALHSA-N 438.510 0.552 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255129 RRSCRYKOPUJBOG-LTMIRXACSA-N 427.501 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782517034 BMWLGGYHNVRJKF-GUEKAFECSA-N 443.504 0.228 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782584294 UQFKZFWPIQXTIM-ZISMNVMJSA-N 442.476 0.930 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497459 OIOBIMDDGGPJHN-BZSNNMDCSA-N 437.610 0.297 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783498413 RROMKSSMZAMDQG-XSLAGTTESA-N 426.583 0.816 30 20 ICED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783523198 DARKGOVXLHNQMJ-LRDNONRASA-N 445.582 0.799 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1 1783565595 OJGWGYCBFFLUCS-JOCHJYFZSA-N 430.457 0.554 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783917418 KZSGKLWHGGZWRL-FHWLQOOXSA-N 428.489 0.827 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1C#N 1785198868 JMQYOYPCMFWXIG-OAQYLSRUSA-N 429.477 0.457 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785353175 GWLOETXIVVSFFI-SFHVURJKSA-N 426.420 0.299 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1785382054 OXRUJMFHUSCXRT-FQEVSTJZSA-N 442.501 0.677 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1785574751 RCIAISRWBVXNOX-JLTOFOAXSA-N 432.481 0.165 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858306 VHBZYLLYOKPMIO-JYJNAYRXSA-N 440.566 0.154 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)cc1 1786886479 YQKGCLZITSWFCE-HAGHYFMRSA-N 441.532 0.063 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787498489 OJWDNCCGQIMNQC-YTFOTSKYSA-N 433.534 0.462 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601742 VGFRENOQAJNJDY-MVLSSTSQSA-N 442.564 0.403 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1788659465 OAOZZGQNDHQVOI-KWJRNONUSA-N 449.464 0.010 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678704 LNEGWDZONHGDKX-DLZZQEDASA-N 432.521 0.983 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)cc1 1790142492 WHTNNJWDXWSKGE-SZMVWBNQSA-N 437.456 0.861 30 20 ICED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)cnc2s1 1792631148 FYBSTUCUOOAHOB-AGGWBTHJSA-N 429.502 0.817 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1793355698 NUBMKUQESNLAHC-JNNRSPCRSA-N 428.489 0.761 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)c(O)n1 1794490383 GIITYZDJAHQWLL-CCWDJLKJSA-N 426.477 0.401 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C3)CC1 1795412623 IQDHLGWMVDOPPF-SSTJLMRISA-N 438.528 0.515 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](N)c3ccccn3)c2c1 1795614359 LLNAXKBWTWLQMU-VZJWBNGJSA-N 445.483 0.733 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795929923 OVVUERSNMGCUBH-KRXQYRFLSA-N 448.545 0.810 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321796 PCSMBKHTRSEDRI-ZSBFGKGUSA-N 433.534 0.139 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)n1ccccc1=O 1797838067 UFWTUAUCSZOSMI-VFMBDBOTSA-N 426.473 0.711 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797892552 BCKVPVAJAWIRMJ-UDUXLDECSA-N 445.516 0.615 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccnc2c1OCO2 1798471462 CRHXLTBFJFGXSD-MTLRUDJWSA-N 446.460 0.543 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798499846 AVJDFUGFPATYLA-IQZZBHSASA-N 425.482 0.769 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)N1CCN(C)CC1 1799183952 DAZADPJLGNXLLJ-RZXSNQJFSA-N 425.533 0.397 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1799392591 AFDGKSBPGICKFE-PNBKFKSVSA-N 444.492 0.335 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2nn[nH]c2c1 1800142981 PZNGKMKIFZTGBP-VZEXOLIBSA-N 442.476 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1802481552 KMNAKFQVZLHALY-QDFBPKLPSA-N 439.516 0.568 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1807144119 WFPRFOAMRXWINH-ULQDDVLXSA-N 428.493 0.478 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)CCC1 1807950395 HXUHHSYIAQXRLO-WMLDXEAASA-N 447.459 0.221 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810091396 WFQIFDJUJMPQGL-MYZZLAAOSA-N 434.493 0.743 30 20 ICED O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)=NN1 1810220826 FOTZTWBNUOFKSC-FHHVKZPOSA-N 442.476 0.492 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)[C@@H]1c1cccnc1 1810247388 WGSGTBCHVMCEGX-LSTDLKDCSA-N 432.521 0.723 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391624 AKJOWEQLAOYFDM-QUCCMNQESA-N 449.467 0.816 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1812648185 HSRWUKMZKBPSMO-MNEFBYGVSA-N 428.537 0.894 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425422 DXRMDDGDKMQEOQ-RDJZCZTQSA-N 444.536 0.693 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425528 JXKAXYQIIVHMTK-QGZVFWFLSA-N 441.536 0.940 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452016 AMFOCUWCLYLDRI-JFMCCSCGSA-N 441.510 0.975 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3c(c1)CCNCC3)CC2 1825670352 ALLOYKIEVGJYES-CQSZACIVSA-N 439.497 0.540 30 20 ICED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CCC1 1827402470 UDOBPAGUVPIIOA-MRXNPFEDSA-N 438.492 0.740 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1829762976 VVSXGVFWPYROCK-CHFIUFFRSA-N 448.564 0.033 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898437 FFCWITKMVDJIPW-OPAMFIHVSA-N 428.489 0.069 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)CCO2 1830707231 OMZVYFTYLZXJOE-WWMYMODYSA-N 440.562 0.951 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831183787 UDPMTDHEACTREE-WZONZLPQSA-N 427.501 0.409 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207389 HKSQKDUDQRAWMQ-MBSDFSHPSA-N 426.517 0.861 30 20 ICED Nc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)sc2nccnc12 1831212724 CNTVLQTWRIPLGB-OAQYLSRUSA-N 441.513 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1831388528 URMHAHCIAGLCDV-GAJHUEQPSA-N 446.500 0.438 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831406586 YMCGJVODQILRNO-NRFANRHFSA-N 436.509 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1831419263 LSPOOIQKDRVZGG-IERDGZPVSA-N 436.509 0.783 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831609704 OWOTUSLXSMYHAQ-OYHNWAKOSA-N 446.479 0.208 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H]4CNC(=O)C4)CC3)CC2)cc1 1833108119 GMWMGXDQHPDZCS-LJQANCHMSA-N 437.544 0.808 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)n1 1834240503 XATYAMXSJGGUAH-HSZRJFAPSA-N 437.500 0.995 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834305870 FAMRUGKHYUMMRT-XILVHTRDSA-N 433.465 0.076 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1835053951 HEPFJHXGXPCYPN-DLBZAZTESA-N 427.615 0.959 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835076091 SVUNIAFDMWNTIH-CQSZACIVSA-N 431.493 0.111 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835365715 SEZHJHNFHJQFSB-VGOFRKELSA-N 448.520 0.663 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835848984 GKBOYDXJPKMEKB-NRFANRHFSA-N 425.445 0.300 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)o1 1836026649 AYHYNHHYZYGJCX-JOCHJYFZSA-N 439.472 0.757 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836168801 QQXDVBVOUPVLNV-JOCHJYFZSA-N 439.472 0.534 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234178 MZLBZOKWXQWWTO-QVKFZJNVSA-N 435.452 0.338 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836723893 STVBTTOQOZEIIE-NRFANRHFSA-N 436.509 0.613 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1837306439 MQTTYZJRYNSZJJ-UHFFFAOYSA-N 433.530 0.872 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837362412 GHACFCKAHRCQDG-NRFANRHFSA-N 448.596 0.370 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837493392 CSLGWPWQYGIPCY-QHCPKHFHSA-N 434.533 0.447 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837531239 ZWEWYFJXJPDUAQ-MEEJOMPNSA-N 438.456 0.753 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1838518382 HQERUQICRGRRBV-NRFANRHFSA-N 427.461 0.745 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1838581999 ZDQDMDOCPZPDIC-UGKGYDQZSA-N 426.473 0.165 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1838908737 PKPJVYBWMWJMRW-HXUWFJFHSA-N 433.486 0.446 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950511 ZDFMUZSZBQJZIA-HSZRJFAPSA-N 439.516 0.910 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839226895 XVIWGFBAVUPXJP-UWJYYQICSA-N 435.525 0.826 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2)C(F)(F)F 1839351856 VJINAPOMBBMMOT-IBGZPJMESA-N 441.406 0.974 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839634681 VNJACSLEMSGWST-KNQAVFIVSA-N 425.489 0.513 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650265 MEUQGICPYGXUPU-HXUWFJFHSA-N 436.534 0.490 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4CCC5(CC4)OCCO5)CCO3)C2)CC1 1839773179 ABBSFBPOWGHIPA-OAQYLSRUSA-N 433.505 0.680 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839838809 OHKQAHDBDRVXRL-VGOFRKELSA-N 430.505 0.480 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)C1 1840041727 DSWBGFIIVONOMY-FQEVSTJZSA-N 446.847 0.326 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840174883 FBLZSJUDGFWQRJ-FQEVSTJZSA-N 440.493 0.875 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840293860 ZGWBAYSLABILFD-JOCHJYFZSA-N 430.505 0.929 30 20 ICED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1F 1840813184 KLFMSLFBWPNMMT-OAQYLSRUSA-N 432.452 0.993 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842832872 ZALPZKIRASPYJA-MRXNPFEDSA-N 432.521 0.729 30 20 ICED N#CCNC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NCC#N)cc2)cc1 111175332 LLPVXGSWWPRMDS-UHFFFAOYSA-N 442.453 0.557 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1=O 440274204 PWYUPUBDSFAASG-INIZCTEOSA-N 447.517 0.341 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 441961485 QVSXSUWTIZQTIU-CYBMUJFWSA-N 428.539 0.909 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 443134119 VYHBKLGRZRZNRW-UHFFFAOYSA-N 431.460 0.584 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 447021226 PXUNGQUDJNVVCD-AWEZNQCLSA-N 429.506 0.724 30 20 ICED Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([C@@H]2CCOC2)n1 468246551 YWJDISNPTUXGRN-MRXNPFEDSA-N 429.502 0.942 30 20 ICED NS(=O)(=O)CCN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 471046256 DJIUZRXLGYGMCC-UHFFFAOYSA-N 432.468 0.079 30 20 ICED CNC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1Cl 472870537 MEFUSCGRSURRPT-UHFFFAOYSA-N 443.895 0.901 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480931925 TUJXXQGVEDSECE-UHFFFAOYSA-N 439.522 0.420 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C#N)cn1CCOC 481339811 AKKZUEXBMVNZRW-ZDUSSCGKSA-N 441.510 0.680 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(C)c1 484256976 GTZOIZLMAZWRAN-UHFFFAOYSA-N 431.493 0.133 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C)c1=O 488980003 IQZUGCRMBJTDTG-LBPRGKRZSA-N 429.454 0.862 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 491037437 QJYGPFTVYSSFQT-UHFFFAOYSA-N 427.505 0.588 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 499782595 WBWQRAGKOKBIGO-OXJNMPFZSA-N 443.529 0.638 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 503630683 TVDFNTWDSVXSEL-UHFFFAOYSA-N 427.505 0.308 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 505633606 KWFQXPNQYCQTLA-KRWDZBQOSA-N 432.440 0.429 30 20 ICED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 506716466 YYVJVBRUPBTOOS-AWEZNQCLSA-N 448.480 0.704 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 517328933 ABJUFPAREGBKRA-UHFFFAOYSA-N 436.472 0.951 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)c1C#N 530416454 QNHSBGIRYLDWTD-UHFFFAOYSA-N 444.517 0.258 30 20 ICED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 534096452 GZMJKYDLPWBOMP-UHFFFAOYSA-N 434.478 0.557 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] 539942194 IYWYANDTUGENRC-UHFFFAOYSA-N 444.469 0.430 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 541411822 QSBBIKUFULLQHH-LSDHHAIUSA-N 438.506 0.356 30 20 ICED N#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 542316077 XEAVBSLMTNUQJV-UHFFFAOYSA-N 449.533 0.666 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)n1 544874027 PVUXVTGFINSSOY-UHFFFAOYSA-N 432.437 0.027 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(F)cc1 551446025 WRSWGVIQWJOJHS-UHFFFAOYSA-N 437.500 0.830 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 551586717 LCMZPAPFZWIKJW-UHFFFAOYSA-N 427.527 0.344 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)c1C#N 555154961 VJLZKVBEYBABJS-OTRWWLKZSA-N 440.529 0.962 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H](C(=O)NC(C)C)C3)CC2)c1C#N 574933491 UFBHAAAOIPRBMG-SJORKVTESA-N 443.552 0.448 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 583225233 YZZVGUIKOVHATC-SFTDATJTSA-N 444.532 0.529 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1=O 583724963 LTFUVYFUNZEBOK-AWEZNQCLSA-N 430.324 0.973 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC(C#N)C1 590491644 GDDVLFBKLYPSKQ-GOSISDBHSA-N 434.518 0.444 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC=C 604120097 YWRJNKKPXFPOMY-UHFFFAOYSA-N 429.523 0.305 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1F 609220367 WIWSQDOKVDCFCF-UHFFFAOYSA-N 428.489 0.227 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 610123749 VIHZJPCLSOFARW-UHFFFAOYSA-N 434.499 0.788 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 613245786 LWSYKOGGIDFUAO-KRWDZBQOSA-N 436.534 0.819 30 20 ICED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 616128684 MXFMYCLCPXIXFH-KBXCAEBGSA-N 430.486 0.911 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577278 LOBRKJQEGXMLIP-UHFFFAOYSA-N 440.481 0.771 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1cccnc1 727813655 BXDOAWXNFZKNNZ-UHFFFAOYSA-N 436.541 0.748 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 729673396 NFCPXOSOMZQOGV-UHFFFAOYSA-N 445.566 0.388 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 732675910 NMEREGDACGKANS-UHFFFAOYSA-N 438.472 0.719 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CCOC)c2)c1=O 743728652 NRTWBRKPJSZFLX-UHFFFAOYSA-N 439.497 0.351 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 744032734 WKGSQMMLVYQBIT-GEQZRMBCSA-N 439.424 0.658 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 746762319 XDXAPWBDJIWNPF-XROPSADXSA-N 447.473 0.466 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 751547152 ILGKLHXIUCJUGR-LJQANCHMSA-N 444.513 0.880 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 756073622 QHXREQAVJNKNFL-HUSAPJIJSA-N 443.551 0.784 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cncc(I)c2)CC1 756972612 AGXVLMZHMIORIR-UHFFFAOYSA-N 426.258 0.584 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(F)c2F)c1=O 758050595 GRKSKIRELIDORM-UHFFFAOYSA-N 442.491 0.488 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758072703 YASXOTNROFRXBG-UHFFFAOYSA-N 447.472 0.742 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cccc(OC)c2)c1=O 758084123 PKTHIECUTFOAFK-UHFFFAOYSA-N 439.537 0.986 30 20 ICED CN(CCCC(=O)O)S(=O)(=O)c1ccc(C(=O)/C=C/c2cn(CC(=O)O)nn2)cc1 759074690 HJSGBQDIQKYYIQ-RMKNXTFCSA-N 436.446 0.744 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 766235342 ZBBRIFCWGLARRI-UHFFFAOYSA-N 428.474 0.282 30 20 ICED CCCCN(C(=O)COC(=O)C1(C#N)CCOCC1)c1c(O)nc(=O)n(CCC)c1N 767400600 AZFIGOMWQVLLKC-UHFFFAOYSA-N 435.481 0.938 30 20 ICED CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 772647333 JGAHHCQOOLJWLH-KBPBESRZSA-N 445.563 0.695 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)o1 775851304 RJAYDVUIWSHRLD-MRXNPFEDSA-N 448.524 0.729 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 775959639 CFCNXGRGOIYQFU-NRFANRHFSA-N 425.508 0.996 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1=O 776222167 BQYXXURPLWBVSC-KECSMTQESA-N 434.493 0.851 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc3cnccc3c2)c1=O 782748841 JTKSYIPUVWWVKH-UHFFFAOYSA-N 425.495 0.034 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNc1ncccc1C#N 787787929 RNXMJIHGJBZUEU-KRWDZBQOSA-N 436.520 0.203 30 20 ICED C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2S(=O)(=O)NCC)n1 788693835 GGCPYYNPNASSGU-UHFFFAOYSA-N 440.547 0.652 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 789958810 DZVUYMNMNGYYOG-IENXAOORSA-N 442.563 0.557 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCO1 800129965 AFXHNTVBLSVFFR-KRWDZBQOSA-N 441.469 0.456 30 20 ICED COCCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 802406207 GNCYVOJKSSLQKO-IBGZPJMESA-N 439.520 0.611 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(C(=O)N2CCCC2)C1 803504730 OQJKXKDXWGBTAC-HNNXBMFYSA-N 433.534 0.912 30 20 ICED Cn1c(=O)c2nc(COC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[nH]c2n(C)c1=O 805589599 KPYIFJDEWMXEDH-LBPRGKRZSA-N 426.408 0.541 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)[C@H]1CCCO1 809307829 CXLIZBHOMMSTDK-DOTOQJQBSA-N 435.427 0.869 30 20 ICED COc1ccc(CNC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1C#N 809504035 DVJGRZIWMFUPRM-UHFFFAOYSA-N 427.436 0.870 30 20 ICED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O[C@@H](C)C(=O)N(C)CCC#N 811678941 JLXWCYXWMRRCDN-KBPBESRZSA-N 438.506 0.359 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)[C@H]2C1 815704441 GZTFFZOKNPRRGV-SAFRBZNGSA-N 433.534 0.600 30 20 ICED COCc1ncc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(N)n1 820042913 HWJQOZRTRIPWBP-HNNXBMFYSA-N 446.533 0.975 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 853721434 DFYLQQGMWSAQCR-ZDUSSCGKSA-N 444.469 0.767 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(N)=O)CCOCC1 917108050 QTGNOTIYJLLETC-HNNXBMFYSA-N 436.534 0.682 30 20 ICED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 920327051 HJLCMINKRVSJAP-JTQLQIEISA-N 430.446 0.333 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 920726964 PMHUQINVZWOVMJ-UHFFFAOYSA-N 441.462 0.564 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CCO1 1303004704 RXPKIWLJODDRJJ-ZBFHGGJFSA-N 430.490 0.432 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316538692 LIVUNAZGRDKHLJ-SCLBCKFNSA-N 437.909 0.877 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)cc1 1317986633 BYKHINJJHXGEGZ-UHFFFAOYSA-N 430.486 0.929 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCCOC3(C#N)CCOCC3)CC2)cn1C 1344810163 WPCQTVRVUBBJQY-UHFFFAOYSA-N 440.522 0.762 30 20 ICED CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503370607 PVBDZTRQMBGJMG-UHFFFAOYSA-N 437.508 0.196 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC(=O)N1C 1544754021 BKQSWBOTVWLQHO-AWEZNQCLSA-N 433.476 0.637 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)CNc2ccc(C#N)cn2)CC1 1565709211 KJPXWCJDOUJAQS-UHFFFAOYSA-N 428.518 0.618 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)N2CCOCC2)cn1 1597722191 YDCKNMZEDRMZDZ-UHFFFAOYSA-N 429.458 0.231 30 20 ICED CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1615706649 ZANCAKZPUJWUKC-YOEHRIQHSA-N 447.569 0.330 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2COCCO2)c1 1620349615 STDMTEJAGFFYFV-GOSISDBHSA-N 426.477 0.703 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2Cc3ccccc3OCC2=O)c1 1641851065 JZMKVLVVKMGCIS-UHFFFAOYSA-N 428.470 0.374 30 20 ICED COc1ccc([C@@H]2[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC(=O)N2C)cc1 1646148940 XOLFBKXWODUUKN-SJLPKXTDSA-N 425.445 0.555 30 20 ICED CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709904435 ZZNJHFUJKBXZHK-UHFFFAOYSA-N 432.492 0.807 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1722862711 LCOAEAJKQYYJKX-CYBMUJFWSA-N 440.551 0.494 30 20 ICED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1729794338 RRQKWEZZJHZSNL-UHFFFAOYSA-N 439.476 0.564 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1748282772 REXZCEUZPKYEID-UHFFFAOYSA-N 438.492 0.137 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCSC2)C1 1771361023 IWSBIHATIXGYKU-GRDNDAEWSA-N 444.558 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1778016821 HASBBDMQFJJDPF-KSEXMQBYSA-N 437.500 0.875 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1779064965 LFNKMHHEJPPLPB-NTKDMRAZSA-N 441.528 0.938 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)c1 1780180758 NLPJCYFDKZRUCT-DNVCBOLYSA-N 427.421 0.959 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780338948 GJAPNBRPGGMJCO-SFHVURJKSA-N 433.515 0.190 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCn5cncn5)CCO4)C3)c2c1 1782198032 ICERXFLESSTCQO-NRFANRHFSA-N 434.460 0.560 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21 1783530353 USSCCGQGHILGJY-WSRLLZAVSA-N 427.501 0.904 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567398 NBCWMPBHBXZSQY-KBJGYGKASA-N 447.488 0.304 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783600857 AUXADBHRXORSHK-TUFLPTIASA-N 426.517 0.995 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783931240 XPLPYBASVNINFA-FGZHOGPDSA-N 447.463 0.686 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1784009812 MEBBZNNGBSFDSM-VAXXYWNWSA-N 439.512 0.998 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1785575186 ZQXOGSUZYZEYET-HTAPYJJXSA-N 445.520 0.630 30 20 ICED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)cn1 1786239975 OKXPSVZEBQXOMW-LNLFQRSKSA-N 442.516 0.777 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369771 LFXQBRHHFCWYIY-LEAZDLGRSA-N 430.480 0.766 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788717924 HIAPTNVWFFARNX-KKIHXHGMSA-N 443.500 0.470 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)cc1 1791344588 JTHZCGKFICGWEE-ANULTFPQSA-N 438.528 0.997 30 20 ICED 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)CC 1792860947 YWRRBHQBVPVXQR-BPKGMFCQSA-N 425.526 0.816 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1793342411 MLCYYPDNQAZSDU-UGNRZPKXSA-N 448.541 0.478 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccc(OC)cc1)C2 1793346909 RUUIZTIKBBSKFE-NSAZKJPHSA-N 430.501 0.840 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793358740 PRJOZSMHKVMJFQ-PDOICOKGSA-N 446.500 0.630 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)c1 1794972684 KTPVUURRLKHNDY-XEMDLRDOSA-N 448.483 0.324 30 20 ICED O=C(CN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1795438459 DOMMYEBCMDZLKY-OPMZPASUSA-N 431.920 0.613 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1795602372 LMFRJNIVEBXTMB-BCDXTJNWSA-N 427.505 0.271 30 20 ICED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cccnc1 1795682610 SBFKBLGCWSVKMC-VLVHOKLOSA-N 440.544 0.760 30 20 ICED 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)CC1)C2 1796394099 HFAFYLLSAUEAJT-FZKCQIBNSA-N 436.509 0.419 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N(C)C)c1 1798883021 SBCJYTPVQPFJTF-NOAIIALASA-N 426.517 0.814 30 20 ICED C#CCCC(=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 1799196507 KJSCSRNCDWAUOE-OREBXVKISA-N 435.521 0.217 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799966839 SZGXZMYHAPFAHA-FAQVEIGNSA-N 435.484 0.983 30 20 ICED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1800494650 SHVUMQZVBAYNKY-WERVVEIQSA-N 442.553 0.484 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774369 XPRXSJYVNQKCOU-UIVXKWKOSA-N 449.504 0.454 30 20 ICED C=CC[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 1800778634 KKZAVHKYYKJOJZ-QOIOWGMHSA-N 449.504 0.524 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779147 VMQBZTJZTHBRCQ-BASYENTBSA-N 435.477 0.064 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1800991966 SROIXGOTDRQGII-CCWDJLKJSA-N 448.483 0.578 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c(Cl)c1 1801734435 SSWVHRKAVNJLMR-BJWYYQGGSA-N 434.924 0.750 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993140 GVRNBJVPJASWQC-ZEBXBMNNSA-N 449.504 0.473 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804192880 RBOIGTKHWQHHHO-MJGOQNOKSA-N 447.561 0.368 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808838231 YECAZEXYTHKRFT-VUNQQRPYSA-N 444.492 0.486 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)[C@@H]1c1cccnc1 1812877963 SFZWVHJRBPFFFS-OPAMFIHVSA-N 447.451 0.858 30 20 ICED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1814566492 VFOWKLPRBZSQDB-HNNXBMFYSA-N 436.538 0.682 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1824490403 NMKYROHUPDAXNA-SIKLNZKXSA-N 446.592 0.809 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831391958 HCZOPDRDVXFTKB-UZUQRXQVSA-N 444.484 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831399540 WIXHLSZIUMWUSP-BTYIYWSLSA-N 447.444 0.409 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831427673 XKJPICMIAWEKEB-KKSFZXQISA-N 429.477 0.390 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1832066509 PILUBQURRUDPIZ-SIKLNZKXSA-N 430.480 0.862 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(C)=O)[nH]n3)CC2)CC1 1834067084 LMMWWVSPXMTISB-INIZCTEOSA-N 429.521 0.836 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nc1 1834376812 FIQDOIXLVAPKLW-VJIOCRDPSA-N 446.504 0.989 30 20 ICED Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)no1 1834715406 BMRDMSWBKWVHGM-UHFFFAOYSA-N 445.568 0.774 30 20 ICED CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835129438 MUXZBJMFHVYHRF-KOEQRZSOSA-N 448.612 0.802 30 20 ICED O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)=NN1 1835701828 SERTXUKPFYYOEC-LPYMAVHISA-N 428.493 0.146 30 20 ICED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765442 JSFUIRGBYNEOKF-CPOKCXMASA-N 437.541 0.223 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)c(C)c3N)CCO2)C1 1835867827 LGVDNHSQUVEHOT-AOMKIAJQSA-N 433.480 0.825 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051574 NQRBMQHMXBKGAZ-UHFFFAOYSA-N 426.521 0.564 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1836858944 FLUVVRXIOCEPOV-JTGQJZMRSA-N 431.533 0.858 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1837223115 VRWZWRJMFIAXES-WIYYLYMNSA-N 432.477 0.544 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837381622 TXLDOOLOVBPXEE-ZHRRBRCNSA-N 443.504 0.336 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1837403711 ZEXJUDCIGXYABV-FGSXEWAUSA-N 434.537 0.782 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccn1 1838722342 ANXJVHKLJQGIAD-XOBRGWDASA-N 437.518 0.647 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ccccn5n4)C3)C2)c1 1838737468 UGIBKOSUIPVBAG-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839073119 NFCOOQRTQYVAKX-NRFANRHFSA-N 438.525 0.906 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)ccc1F 1839189461 LTZUCCDRUGBINV-VGSWGCGISA-N 431.464 0.733 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839491681 VSVOHVLXMBZBKD-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)C2)C1 1839809969 XEAZEWDWPSNOTQ-CTNGQTDRSA-N 433.892 0.607 30 20 ICED C#CC(=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 1839810832 URTFZNOODRSVHE-UNMKOGDSSA-N 433.505 0.189 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986542 RUNDITPMQQOGFP-OXQOHEQNSA-N 445.582 0.922 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840160263 CPSJGYVSXYHVPS-BZNIZROVSA-N 447.355 0.571 30 20 ICED CSc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840304233 ZSYXGYGJAGLBFM-NRFANRHFSA-N 432.498 0.495 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840404035 ZDKSKPSHCLUSKL-AVRDEDQJSA-N 446.552 0.491 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818841 AMDGDOQGXIBMIO-JOCHJYFZSA-N 431.489 0.554 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)c(C(F)(F)F)n1 1842944712 MPMWGFBFBZZVFV-ZDUSSCGKSA-N 438.410 0.382 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1847069870 JNKZZRKOHBUXAO-RDJZCZTQSA-N 434.537 0.973 30 20 ICED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCCCC1 16162341 ZHMLOYWJWGKHKK-ZDUSSCGKSA-N 430.465 0.098 30 20 ICED COC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 439279761 UPPVZGPACVNWSK-AEFFLSMTSA-N 436.534 0.127 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)S(C)(=O)=O 464857900 RRIIZSYDBJTPFQ-INIZCTEOSA-N 437.570 0.035 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CCN(CC#N)CC3)cc(-c3ccc4c(c3)OCO4)nc21 465136727 CNKXPYRSQXHBRE-UHFFFAOYSA-N 448.439 0.711 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C(=O)OC)c2cc(F)c(F)c(F)c2)C1=O 470775626 XQWVPRUUPSHXDI-CQSZACIVSA-N 427.335 0.753 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CC1 477337577 HQNQCGONXAYAEE-NSHDSACASA-N 446.460 0.946 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480937304 OXRSMDDZUAVRMG-LBPRGKRZSA-N 439.453 0.065 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)cn1C 481068702 ILFBDJPJEHPDPI-UHFFFAOYSA-N 443.938 0.949 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)nn1 487515373 KMWXMXKVTCOZME-SJORKVTESA-N 437.460 0.694 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 501293981 BABPMVVVCQRECQ-UHFFFAOYSA-N 443.485 0.607 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H](C(=O)OC)C1 504885945 SIKXWOBQOYJTCS-GDBMZVCRSA-N 437.474 0.445 30 20 ICED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@]12C(=O)Nc1ccccc12 514017115 DSCGNPOXFGOKRT-BFUOFWGJSA-N 444.473 0.149 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 514741338 GGXURESDBCACJS-AWEZNQCLSA-N 434.449 0.516 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 518009425 JEXFWHPGBCHDKQ-IIAWOOMASA-N 436.490 0.174 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2cc(C#N)ccc2C)c1 531320460 PFYLOWWWIINSSW-CYBMUJFWSA-N 443.485 0.857 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)n1 532994811 BESAUSGSYWQWPT-HNNXBMFYSA-N 444.496 0.869 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 541077630 UYOWWGIJGCZPME-UHFFFAOYSA-N 439.493 0.429 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 541741640 MJAHLSLPNPZVQO-UHFFFAOYSA-N 427.548 0.651 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 548850592 KITYYMFOXINHNT-AWEZNQCLSA-N 433.494 0.996 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 549937429 XLTJRYPZYZSMCG-UHFFFAOYSA-N 429.546 0.678 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550817049 HQLHACUBKKYSLP-NXEZZACHSA-N 439.266 0.832 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 552325807 HKXHTICIXILSPM-HNNXBMFYSA-N 426.454 0.558 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)c(F)c1 561786836 YGRAOQOLASVNJM-CYBMUJFWSA-N 441.385 0.973 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 570585506 HVSKNQQNJCDDPW-UHFFFAOYSA-N 438.510 0.594 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 578210009 SRHUPUBHDKOONS-NRFANRHFSA-N 427.549 0.675 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)n(C)n1 579530364 WIAYASGKIBURHS-SFHVURJKSA-N 436.520 0.429 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CC(F)F)n2)cc1 583470908 JJYXROCSCQPKAB-UHFFFAOYSA-N 427.433 1.532 30 20 ICED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124046 TUVGNDWZAMJILP-UHFFFAOYSA-N 440.548 0.490 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCCSC)CC1 590995599 LVJQMHPXAXVUIZ-UHFFFAOYSA-N 446.598 0.923 30 20 ICED CN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 591492448 JLQAKIDUXKUVRP-UHFFFAOYSA-N 428.518 0.300 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 609457499 BPFWXAPQRVSGNR-SFHVURJKSA-N 433.534 0.113 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 614063574 LVWZCBSWOCGSPI-UHFFFAOYSA-N 438.553 0.732 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 617063797 FJIXAQRBFKJESR-QUCCMNQESA-N 425.551 0.865 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 680339388 FSZMRCMTYKLDPB-WOJBJXKFSA-N 442.560 0.519 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CC)c2C)c1=O 728557949 VSDZPMUNJRGHDD-UHFFFAOYSA-N 446.573 0.650 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2occc2Br)c1=O 735295429 XBGWYAYXIVNKKL-UHFFFAOYSA-N 438.303 0.717 30 20 ICED COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743939700 GHVOYIXHAMFAJY-AEWZPABSSA-N 440.522 0.606 30 20 ICED C[C@@H](CC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744145736 CIHGOINMFRIVCC-LBPRGKRZSA-N 444.469 0.324 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cnc([N+](=O)[O-])n1 749076842 UNLLKXRUHULXES-ZDUSSCGKSA-N 436.450 0.883 30 20 ICED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 749635992 WCXIFIKYSDXXAX-UHFFFAOYSA-N 434.453 0.509 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 751108713 XUNGGIIUAVTZJX-UHFFFAOYSA-N 427.910 0.572 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)cc1 752118714 GLKWVDKAYGUBOZ-XQNSMLJCSA-N 447.473 0.446 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359359 PLVMKYYZNJYRDV-UHFFFAOYSA-N 444.538 0.289 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755482985 VUDZCHAMOSSWFR-STQMWFEESA-N 426.499 0.058 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 756975619 JLFLUKREGDHLNX-IAGOWNOFSA-N 431.537 0.017 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758075609 JFKWCOJUJYVKPR-UHFFFAOYSA-N 444.472 0.866 30 20 ICED O=C(O)Cn1cc(/C=C2/CN(c3ccccc3)C/C(=C/c3cn(CC(=O)O)nn3)C2=O)nn1 759075578 HUFYUUOFHQEQEK-LRSUZXNRSA-N 449.427 0.595 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(=O)N(C)C 759694332 POHKOMKLWDLZCR-UHFFFAOYSA-N 448.907 0.596 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 761037241 NQJVZIYPROUICK-INIZCTEOSA-N 442.969 0.651 30 20 ICED C#CCNS(=O)(=O)c1ccc(-c2nc(CCN(C(C)C)S(C)(=O)=O)no2)cc1 761771135 LOUMVMLTSNUAQN-UHFFFAOYSA-N 426.520 0.861 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768747941 DEHUITURQQXAHJ-OALUTQOASA-N 436.465 0.805 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Cn3cnc(C#N)n3)C2)CC1 769144424 VAZNTMAYEAAWSP-HNNXBMFYSA-N 431.497 0.468 30 20 ICED COc1c(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)nn1C 778844874 RCKMHOGUJMBDIN-UHFFFAOYSA-N 440.503 0.933 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782904430 BWAKIIAHWOAADV-GJZGRUSLSA-N 439.465 0.861 30 20 ICED C#CCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 783479875 GRYUTWOBCZWCMC-AWEZNQCLSA-N 425.304 0.987 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cn1 786438830 VUUBWLSRMXEDCW-UHFFFAOYSA-N 428.400 0.954 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)CCN1CCCS1(=O)=O 790869726 VSHQHKTVYORVHC-UHFFFAOYSA-N 425.410 0.808 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)cc1 795193591 RVUXETYGOGZURB-UHFFFAOYSA-N 435.509 0.755 30 20 ICED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)s1 805902458 POBQUJYXPKZPLE-NSHDSACASA-N 438.466 0.839 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCCN2CCOCC2)cc1 805969572 ZASLJSRVLJRFHM-OAHLLOKOSA-N 425.507 0.145 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 808346621 IGHOFHGYCLHUAM-SFTDATJTSA-N 445.564 0.375 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCCO1 809259769 YOCAOMBKHZZCCG-SJORKVTESA-N 426.498 0.986 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3sc(Br)cc32)c(=O)n(C)c1=O 814883450 OBNABZVVLOECBK-UHFFFAOYSA-N 433.309 0.537 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 816129284 QRXXJQKDKGBRPU-HOTGVXAUSA-N 448.457 0.713 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)ccc1F 914470368 DOPOUUPCIZFJLD-OAHLLOKOSA-N 448.538 0.956 30 20 ICED C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918269960 OHWZFWUPHPPWFG-RYPAHKROSA-N 432.506 0.839 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)c1 919021241 YLALHTVPHMSUGJ-UHFFFAOYSA-N 436.467 0.285 30 20 ICED C[C@@H](CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1300940043 OYPINTAVGLSBRN-ZDUSSCGKSA-N 440.547 0.140 30 20 ICED CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1313474003 LQKREPSQELAKER-AWEZNQCLSA-N 425.559 0.935 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315427131 PDTSOAROSRWZHP-MAUKXSAKSA-N 446.533 0.964 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1326382397 GZEFSCKSIMPEIO-HKUYNNGSSA-N 441.532 0.597 30 20 ICED C=CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1328275053 WAIJYRHGMNCYTC-IRXDYDNUSA-N 430.486 0.965 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OC1CCN(CC#N)CC1 1347122137 FSHZMVHNHVLQEW-QGZVFWFLSA-N 443.547 0.299 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCC2 1360676114 LGYQAPIDPDTZMG-ZDUSSCGKSA-N 433.542 0.604 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1360714762 RPBIHMHTLXXXNB-CABCVRRESA-N 439.542 0.020 30 20 ICED COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504851369 JPRFZBNLEOLRBH-GOSISDBHSA-N 430.557 0.269 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ncccc1F 1510196521 XGULNOGUBANSLR-SJKOYZFVSA-N 441.464 0.943 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccn(C)n1 1510218378 MYEMGSUHNWZTTE-YOEHRIQHSA-N 447.569 0.041 30 20 ICED COCCN(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519110436 CSASIVMJFWRUFV-LJQANCHMSA-N 444.584 0.659 30 20 ICED C[C@H]1CN(c2cccc(CN(C)C(=O)CCn3cc(C#N)c(O)nc3=O)c2)S(=O)(=O)C1 1556384980 RXKGTSCXNSZNFS-AWEZNQCLSA-N 445.501 0.655 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1698312522 YOWKFIXCNNDYLB-UHFFFAOYSA-N 427.494 0.190 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1706656290 PYLJCNRLFYOZAJ-UHFFFAOYSA-N 436.563 0.713 30 20 ICED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711404384 JPEYCHONUSJUSU-UHFFFAOYSA-N 437.508 0.130 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740745373 SSBFQJHFPCRRQI-RYUDHWBXSA-N 432.344 0.756 30 20 ICED Cn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1748045235 VKSSVQWULAVNRO-GOSISDBHSA-N 430.469 0.967 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777935289 YJUWTYJRSZCUBP-ROMKBHBSSA-N 442.476 0.702 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120867 DATSXYZKICYXSI-ZHRRBRCNSA-N 435.521 0.722 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ncccn3n2)C1 1778972221 UBUVIQPEUDFDIS-AQOAWAETSA-N 425.489 0.895 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1)C(=O)O 1780169983 XUKYSNOYDMTQJO-UWJYYQICSA-N 430.461 0.073 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1Cl 1780193191 ZXTMPPHOSOOYEP-OAQYLSRUSA-N 441.875 0.912 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1781271846 NRCNRGSNUWFRDG-OAQYLSRUSA-N 439.509 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1782356002 YLFRGKPSFBDSDN-QFIPXVFZSA-N 441.488 0.991 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1783536925 KCPRDJJNDWRIQF-SCYDXJQRSA-N 447.532 0.864 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783558776 YIJYQYVAWKUYIX-AOMKIAJQSA-N 449.504 0.598 30 20 ICED C#CCO[C@H](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 1784481723 VYRYIFIKRDVGHF-XUFBONQXSA-N 434.533 0.984 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c(C#N)c1 1785418652 SQFLTIJORUTHJW-BQEXRTDESA-N 427.457 0.970 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786868216 CSLUGKHJDZOLLQ-CAMMJAKZSA-N 428.537 0.343 30 20 ICED CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)o1 1788655353 DHXDXFDLHZNDPG-LEDXTBFGSA-N 449.508 0.863 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21 1788658629 RWUQGKKEHWIHPY-ODUALVALSA-N 433.461 0.762 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936144 VUWUHWVFZIXLSZ-QXKUPLGCSA-N 445.582 0.560 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c(Cl)cccc34)[C@H]2C1 1790342532 YDVCNCDPQLBYCA-WHOFXGATSA-N 430.848 0.898 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)CC)[C@H]2C1 1790818282 NPQVMUHWAZRUEG-OVWQWFNUSA-N 435.521 0.862 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1791287087 MMAMQKLJZVRKEA-KGYLXKDPSA-N 443.500 0.962 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2[C@@H]1O 1793033549 ULPPJDYTYGWXQP-PRADGEEMSA-N 426.513 0.910 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)(C)C 1793193961 HRNVJYYPUYASRT-NBMJBFSESA-N 437.537 0.636 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793821082 GRKQVIQTPLYGKR-CWPLJXCYSA-N 448.541 0.958 30 20 ICED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795512783 PKPBCSQNEFHOFK-OHTBPHCPSA-N 425.411 0.770 30 20 ICED 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[nH]1 1795690591 VNWWQMIAJVLHCE-LOUJCGABSA-N 449.508 0.788 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444149 BMCISTWQJOBRMM-CUNSRDMBSA-N 433.530 0.991 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)cc1 1797656104 ZYKIDKNYSFUEDG-MIFYACCESA-N 425.363 0.867 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1797712282 APIYNFZJYRGHCM-BSOSLTRSSA-N 446.500 0.979 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c1 1798580230 QESYDTAVSAJUTH-DFYYWFRZSA-N 426.473 0.296 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1ccccn1)C2 1799304141 OZMPDTKVUMGFCP-PDOICOKGSA-N 430.505 0.981 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799355700 ZNALMEUVPGZAPG-QKPAOTATSA-N 443.504 0.938 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)c1 1799803689 ZACYOAAHZMJTAQ-ALXJQNPVSA-N 426.502 0.980 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)nn1C 1799884787 WTOPCCYDRLXILF-HBCWATKFSA-N 449.471 0.694 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801366877 XTKNRWYAVBGQLU-JKBNCDAYSA-N 446.504 0.968 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C3)C2 1801426681 LIZYYFTWRLIQOE-LVQVYYBASA-N 442.472 0.348 30 20 ICED O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)C(=O)N1 1815668307 REMUKWITZBNIQG-PZEXIZOFSA-N 441.448 0.666 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819443812 KPPPYOMGQWFLKF-LPHOPBHVSA-N 447.540 0.334 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1822024215 METOTVGYBGWZOR-JSGCOSHPSA-N 438.469 0.839 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1828268346 WMPNCPUUNJAABU-JSGCOSHPSA-N 440.481 0.962 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830204894 AZQRWFZDFFJYAG-RANHDKPRSA-N 436.553 0.858 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830468449 MBMXPDKPUUIIBM-FQEVSTJZSA-N 429.864 0.580 30 20 ICED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1831386011 NEWZAQQBBDIKCO-HSZRJFAPSA-N 443.500 0.820 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1831398971 NGZXHMNAFDNOMK-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1831414507 XIAXKJDAKQNKHA-QFIPXVFZSA-N 433.505 0.769 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831426493 MGSHRGTUNQXYMU-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832375471 SBOSLBODRUANOY-VGOFRKELSA-N 432.521 0.819 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833385138 CWSBXZIIOFRFMS-UHFFFAOYSA-N 448.568 0.292 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1833675009 PNGMPBSJSUBBDB-FQEVSTJZSA-N 438.456 0.437 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(C)c1)CCO2 1834285259 NAZUIXCLPJZJEQ-JOCHJYFZSA-N 431.489 0.969 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1834346204 GOIDKLZOZDAHKQ-XLKFECATSA-N 436.465 0.582 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834620998 FOHYVGAEWWGOCH-HXUWFJFHSA-N 436.597 0.463 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835765284 NTDQAGZVEKYBPZ-HSZRJFAPSA-N 434.581 0.402 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427191 MDQPKIQYKGLQJK-OAQYLSRUSA-N 437.613 0.630 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837527215 YQSLCYJXFATUDA-IFPAPICYSA-N 439.509 0.541 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837567675 SEYZVEPUOHQHGM-FFCJBUTOSA-N 430.461 0.694 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837567711 UIKXBGYQTHHHAX-GMMGEPQOSA-N 443.504 0.921 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)n2nc(C)ccc2=O)CCO3)C1 1837655257 ACIGMQAXWRHLLU-QHCPKHFHSA-N 444.532 0.709 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnc(Cl)c4)C3)C2)c1 1838732456 SLNOQXDWKUNHNY-LJQANCHMSA-N 430.852 0.714 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)s1 1839035542 VBVVKEFIDVBKOC-YJYMSZOUSA-N 442.559 0.852 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)C1 1839066133 WSJLTBZDMTVUDT-REWPJTCUSA-N 426.517 0.970 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133524 UNQLOPBBTUEATB-QHCPKHFHSA-N 425.485 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839293630 UEKDCHCLLYWLRG-QJKPHDSHSA-N 447.463 0.460 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681202 HYABXLKRUDMCNX-JXXFODFXSA-N 428.482 0.596 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722023 TTXIGAGNNSSFRV-JOCHJYFZSA-N 439.472 0.603 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)(C1)C2 1840003461 SCYBOXILIAHRJM-LZBANZJXSA-N 448.520 0.804 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840161519 RWUWFKDWPYQLFP-RNODOKPDSA-N 435.502 0.406 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)ccn1 1840813820 XIQNHZQDMPAHNG-QFIPXVFZSA-N 441.488 0.804 30 20 ICED C=CCSCC(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1841885350 FVCQRMBRHDTXMS-UHFFFAOYSA-N 430.567 0.805 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1844166237 SMGXPEZCEXUHLG-HNNXBMFYSA-N 434.541 0.370 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccnnc2O)C1 1844612365 HMNVAUSVHQKOKZ-OAHLLOKOSA-N 429.477 0.916 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)CCC#N)C4)csc2n(C)c1=O 1845014073 QYDOLAZEIURDER-UHFFFAOYSA-N 429.502 0.348 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1847071461 TUNBFOOTYMYLNB-JKSUJKDBSA-N 432.521 0.633 30 20 ICED COc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(=O)(=O)N1CCCCC1 14221485 CYFHNCSTAWOIHB-UHFFFAOYSA-N 433.490 0.882 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 410196076 OUEICOAUOFGVTP-UHFFFAOYSA-N 443.485 0.961 30 20 ICED O=C(CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 427001300 ITKDZSGYDSALDO-GOSISDBHSA-N 443.491 0.978 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)CC1 427337566 MWGWABSNFMKVFM-IBGZPJMESA-N 449.515 1.272 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2nc3ccc(F)cc3s2)c1=O 432727997 IQFLIKWQULQKKO-UHFFFAOYSA-N 430.486 0.557 30 20 ICED Cc1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)nn1-c1cccc(C#N)c1 469059353 WAELPLBQVZZYIS-UHFFFAOYSA-N 426.462 0.317 30 20 ICED COc1ccc(C(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 471670552 GXIYYIBMGKTVHV-UHFFFAOYSA-N 426.477 0.696 30 20 ICED C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 481756054 LTJDJHMRVJBOSC-AWEZNQCLSA-N 449.323 0.930 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1=O 487264921 CCIBDNUNWVQDDD-ZDUSSCGKSA-N 449.261 0.647 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488618341 VGOOFYLXXAFDFZ-LJQANCHMSA-N 449.467 0.539 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccsc1 505701541 XYMNJAZKXGRISK-UHFFFAOYSA-N 443.554 0.658 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1 509811879 SQWGOLZXSPXQQA-CQSZACIVSA-N 445.505 0.268 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(C)C 512791189 ZZVWRXWJHKHWNR-UHFFFAOYSA-N 431.562 0.828 30 20 ICED CCC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 519900373 XYELNYLGXNLOPG-HXUWFJFHSA-N 447.517 0.502 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 540364522 BNLNZOFWLKKJRO-JYJNAYRXSA-N 439.534 0.724 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)n2)c(Cl)c1 542965529 YBLYRWUOCKIIDX-UHFFFAOYSA-N 437.913 0.835 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 547977265 SOWQMNUDGZNPTF-UHFFFAOYSA-N 448.545 0.949 30 20 ICED CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549084076 RJMCFCMFOWDKCN-MRXNPFEDSA-N 432.506 0.768 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 550283612 HIWZXVXLNSRECE-INIZCTEOSA-N 443.547 0.515 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 552628801 UPGHVFFTMJKKGZ-ZDUSSCGKSA-N 443.469 0.703 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 553734358 VZFFEBNXWSDCFX-WOJBJXKFSA-N 447.624 0.792 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNC(=O)CC3CCCC3)C2=O)cc1 557326365 DXUCURWWOSAHHF-LJQANCHMSA-N 439.516 0.983 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 559986838 PBFJYIYRJVVWQD-KRWDZBQOSA-N 448.439 0.623 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 564735807 XJEQCSRKFCZWHE-HOTGVXAUSA-N 436.871 0.946 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 565060495 SYMVVZRVRFHFOO-RCCFBDPRSA-N 431.514 0.967 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 576147170 SNIZFVNJTIWMHY-UHFFFAOYSA-N 439.520 1.209 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 579875272 HKMSQKQQZBMVJA-YLJYHZDGSA-N 441.532 0.392 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@@H]2CCCO2)cc1 580966058 WBNPAHDKPWPRFN-SFHVURJKSA-N 448.491 0.331 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588232616 QYGSZSKUNGUXQW-JKSUJKDBSA-N 442.520 0.835 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589161438 VAQNKEJVHOMIBF-UHFFFAOYSA-N 433.555 0.496 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 603729939 YYJXPRIUQFRITF-QZTJIDSGSA-N 440.543 0.668 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 606024693 GDALYXSOIMZUMJ-KRWDZBQOSA-N 429.477 0.782 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)C[C@@H](C)O1 619475559 MWDKNHBBMOTXER-HZPDHXFCSA-N 442.563 0.413 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCN(C)c1ccccc1 726578529 DGVBCABUPAJVNW-UHFFFAOYSA-N 436.541 0.419 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)o1 727010116 MQUICSXHHBSEFV-UHFFFAOYSA-N 436.428 0.348 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(S(C)(=O)=O)cc2)CC1 734751656 WOGGVPCDHFRICO-UHFFFAOYSA-N 437.547 0.867 30 20 ICED C[C@@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742583899 SIJPCYWPAIRUBM-ZDUSSCGKSA-N 442.563 0.386 30 20 ICED C[C@H](CC(=O)NCC1(O)CCC2(CC1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 748365011 OHNMFHMKTLJTLA-CQSZACIVSA-N 437.518 0.668 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754606973 LYOJBXSYXLXWHP-CZUORRHYSA-N 443.460 0.480 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnnn2CC2CC2)C1=O 769756344 CUIGXTUZVAGEML-ZDUSSCGKSA-N 430.494 0.755 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CCOC 770645464 UNUDDJALWSIZHV-UHFFFAOYSA-N 446.485 0.502 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)c1 774448935 CMBANWWEBSSIGB-USIKMKBCSA-N 438.506 0.706 30 20 ICED 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CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)o1 920097732 QNGRBLABHNIAHY-AWEZNQCLSA-N 428.488 0.756 30 20 ICED N#Cc1ccsc1NC(=O)CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920407394 BFMVGLYZECFASR-AWEZNQCLSA-N 446.576 0.083 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)CC2)cc1 1229664593 YCLFUPYINYYAHQ-WMZOPIPTSA-N 431.518 0.728 30 20 ICED CN(C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1503401064 VVLPSSNQMQMWFC-OALUTQOASA-N 439.520 0.947 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1503433040 YYEJHVUIFRHCNC-SJLPKXTDSA-N 447.517 0.767 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccs2)C1 1505140410 JEOUDLIIXFVDIA-LRDDRELGSA-N 441.514 0.558 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1616142149 KMRLXQZRHCTDSQ-FCEWJHQRSA-N 440.570 0.950 30 20 ICED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c(=O)nc1O 1637527846 RNWWEKUVQPZYHT-NSHDSACASA-N 439.241 0.690 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1696483704 OVZSOQZLANKHND-OAHLLOKOSA-N 446.533 0.830 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1697024055 WEWGJOMLJVIUFJ-QZTJIDSGSA-N 446.533 0.750 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1745802402 XDXPKQHDCXIEEA-KRWDZBQOSA-N 446.533 0.878 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1751279095 RBBJGOPUNXEJDV-HUUCEWRRSA-N 435.554 0.783 30 20 ICED O=C1NCc2cc(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1778723237 NDTGMUFQHPSPBU-HBAGGBEISA-N 439.516 0.845 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccco1 1779016886 SOSPRMITNGOGMB-KURUZVKSSA-N 431.493 0.311 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)C[C@H]1CO2 1781064058 ZDZFUQXVTZVIOC-USCONSEESA-N 448.520 0.898 30 20 ICED COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)CC1 1781810771 JPWNNWNTLSXTJA-IIBYNOLFSA-N 434.537 0.735 30 20 ICED C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783523193 DARKGOVXLHNQMJ-ARGWCVDVSA-N 445.582 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21 1783530988 BDJBNKUONGARNZ-QTIVQTDVSA-N 438.488 0.410 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1783896108 BHKRPDVNHYUHKB-HXPMCKFVSA-N 433.490 0.440 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783923547 JNIZCVXVYIWOLS-XZOQPEGZSA-N 443.500 0.937 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784550486 MLEVBDQRIYSUPG-LGIYMUJXSA-N 425.526 0.902 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785379422 COWVWOQQRVCBSA-HTAPYJJXSA-N 426.473 0.388 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1785573239 SZUGXMBNARPMJT-ZHRRBRCNSA-N 443.504 0.837 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(N5CCOCC5)cn4)[C@H]3C2)CC1 1785723270 XXLAMGKQOLKUDQ-QRFRQXIXSA-N 439.516 0.815 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nn1C 1786006121 YFPCQSYLMQUVFR-FIZPHTSVSA-N 433.509 0.851 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)CC1 1786693990 BERIIDFRLRVTBT-RMRKRWHISA-N 441.488 0.276 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788565629 OJLQRDQXEYHDAY-FCLVOEFKSA-N 427.505 0.859 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1788678254 UUMRTOQLJCZSST-CZTDCAEFSA-N 429.433 0.193 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]32)c1 1789343219 TVQJQSCHPIZLTN-GVXVVHGQSA-N 446.357 0.835 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226180 KPQONIKXAXPQPV-CJCBUOBESA-N 445.495 0.998 30 20 ICED 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AXOZTOIDDOGJDM-JTSKRJEESA-N 445.903 0.284 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1831395884 AQOBVRFMXGLVEZ-VGOFRKELSA-N 431.489 0.507 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831499568 WNVDPGXVIRSVAT-CZUORRHYSA-N 441.472 0.076 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1832005534 MGZDXGFAZCNXED-YDHSSHFGSA-N 432.517 0.836 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1833076227 KBHKDEGBDFUJIP-OOFWQKGWSA-N 432.565 0.843 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1833476593 GVYBICAZQUCQNC-QFBILLFUSA-N 441.594 0.726 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1834526861 AHSOKSAXJXGYLE-UQQIOGDDSA-N 446.508 0.027 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715391 APYGEWHUISBXNJ-INIZCTEOSA-N 434.585 0.351 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756422 WKAMZAFRZWIINA-QFIPXVFZSA-N 439.472 0.870 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835709515 RNSCBCVBMIBQRH-OAHLLOKOSA-N 443.552 0.779 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750875 YDCQNRDEZLCNBN-GOSISDBHSA-N 446.592 0.768 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836062582 CKVDOPZNQBNQHA-GOSISDBHSA-N 431.537 0.941 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837382403 ZDQKRAPSVISYSL-KSFYIVLOSA-N 443.504 0.336 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837391361 MKRIRRXYIJCXHU-CVDCTZTESA-N 448.516 0.801 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837399036 MLDBOCFHPWFELS-HTAPYJJXSA-N 443.504 0.372 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C)c1)CCO2 1838937387 DUNDVDABTBSYSN-YLNCNTMDSA-N 427.501 0.923 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(C#N)c1 1839132593 LAWUHLMOEUIVPI-BTYIYWSLSA-N 433.530 0.884 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512673 JCCUTGJMYGVJLT-QHCPKHFHSA-N 436.468 0.819 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)c(O)cc3F)C2)C1 1839809259 VMVCFWLDZVRFFQ-SFHVURJKSA-N 441.253 0.997 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCCO3)CCO4)c2c1 1840015435 RRYZEYJJSAMONS-AVRDEDQJSA-N 439.472 0.684 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1840042745 MXRYDQVZAYFXRH-HSZRJFAPSA-N 442.468 0.099 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840162657 DAQCOGBZWCQPFB-LIRRHRJNSA-N 431.555 0.674 30 20 ICED Cc1cc(C)cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840306862 FZCQFWRURVIZSQ-QHCPKHFHSA-N 428.485 0.780 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840490746 KWTNEYYCCSTLQT-JTSKRJEESA-N 446.552 0.491 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)CCC1 1840815254 GDZHVFNPBYIDPJ-OAQYLSRUSA-N 429.477 0.429 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840821000 VAESPMRRRULIJQ-XXBNENTESA-N 443.500 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840833562 MRXCWFPKUSHWTF-JOCHJYFZSA-N 427.457 0.616 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846644310 PYHQWPUIQUELOK-CABCVRRESA-N 433.513 0.907 30 20 ICED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)NC(=O)OC(C)(C)C 1846934537 IIGQXAYLLLPWNL-MRXNPFEDSA-N 448.568 0.889 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 1847939534 GAEPIRPXKHOLEZ-FHWLQOOXSA-N 449.596 0.905 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCS(=O)(=O)CC)nnc12 110655613 LWIABKSHFJLHGM-UHFFFAOYSA-N 435.531 0.873 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 409564614 BBIIQRZWUGZFQX-UHFFFAOYSA-N 433.534 0.961 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CCC1 431025904 QCRCAAPVFXMZIG-UHFFFAOYSA-N 428.514 0.694 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)CC[C@H]2C)cc1 433551670 VYPSLBUOSYENLV-LOKFHWFJSA-N 427.548 0.801 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCOC2)c1=O 441951562 FMGQZCOMRXWBOZ-HNNXBMFYSA-N 445.566 0.678 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 442368445 WIPXSMAOVFZZEN-QAPCUYQASA-N 448.545 0.949 30 20 ICED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 444740441 WBCVXGMDBXLOKG-QAPCUYQASA-N 443.460 0.453 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 461676695 YENPZANZZAFNDB-UHFFFAOYSA-N 430.490 0.641 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 465413292 DGXFKWVFQYOZRA-HNNXBMFYSA-N 435.488 0.655 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469152816 WJXLSGXLLYSKSV-YCRPNKLZSA-N 430.461 0.972 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 471456188 YEEFKKCWIMQAMX-WMLDXEAASA-N 429.456 0.730 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 472053022 HAHCHBRMBYKJNP-UOVPBQLFSA-N 437.504 0.239 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 505633613 KWFQXPNQYCQTLA-QGZVFWFLSA-N 432.440 0.429 30 20 ICED C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCO[C@@H](C(N)=O)C1 508793077 OPBQHMCPKJBASA-HXUWFJFHSA-N 439.564 0.781 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 508965038 VWESMPMWIFDUSN-MRXNPFEDSA-N 445.549 0.807 30 20 ICED CC(=O)Nc1ccc(OC[C@@H](O)CN(C(=O)NCCn2cnc(C#N)n2)C(C)C)cc1 510626700 DXALWNQVYFGIOW-KRWDZBQOSA-N 429.481 0.968 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CN(C)S(C)(=O)=O)C3)CC2)o1 511105175 IJKPHKXNWPNECF-MRXNPFEDSA-N 438.554 0.107 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 511759342 GXUPRNLQOJAYML-ZDUSSCGKSA-N 436.538 0.769 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 511954733 TWSWNOXKWOLPPS-UHFFFAOYSA-N 448.530 0.221 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC2CCCCC2)c1=O 512732138 AZQKFRZMUGXHHD-UHFFFAOYSA-N 443.573 0.972 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513986058 WAYOTROIVFYNOJ-XOBRGWDASA-N 431.518 0.856 30 20 ICED CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 520874864 LWVCSFSSTNWGNH-SFHVURJKSA-N 434.456 0.445 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C)C#N 538112122 FTVLDLVNWUEYFJ-CQSZACIVSA-N 438.506 0.709 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 543146164 CAUSZGRQNCURHL-UHFFFAOYSA-N 434.861 0.370 30 20 ICED CS(=O)(=O)CCCS(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 572053726 YCHYAUCQVFOWOW-UHFFFAOYSA-N 443.526 0.752 30 20 ICED C=C[C@H](O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 590411653 DZTCKBZOBFAKCQ-KRWDZBQOSA-N 426.495 0.821 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccncc2)c1=O 590995907 AKOYWFMLJKVFFM-UHFFFAOYSA-N 430.555 0.420 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 608884167 MZEKXCQKJFSZOW-UHFFFAOYSA-N 427.511 0.788 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 609471664 PTTSRIIVFHKRRT-UHFFFAOYSA-N 429.525 0.808 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)cc1 610733342 RCTNMPGXAOQLDT-IBGZPJMESA-N 432.546 0.892 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 729505785 MHJHXPZUCNUWTN-ZWKOTPCHSA-N 433.534 0.437 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733015452 ZRIUVCGGUONBLM-AWEZNQCLSA-N 440.434 0.303 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1 741907203 VVZLZZSRKPIFIQ-UHFFFAOYSA-N 427.482 0.898 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(C)c(F)c1 743727174 CLRMNGLQGPYRRK-UHFFFAOYSA-N 441.488 0.439 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 745387804 ROGMECNTBOESMZ-KRWDZBQOSA-N 434.408 0.970 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747095879 VGWZERZKGHQJDV-CABCVRRESA-N 425.530 0.740 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 758567419 CVOSSXYBJWERBQ-OCCSQVGLSA-N 442.498 0.152 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 760520291 HSRUDLFVIUXBII-UHFFFAOYSA-N 431.496 0.359 30 20 ICED COc1cc(C#N)ccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 766242097 STXXMHIDXOWTJJ-CQSZACIVSA-N 442.519 0.233 30 20 ICED COC(=O)[C@@H](COC(C)C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 766807408 BTUORNFYHYUYBW-OAHLLOKOSA-N 425.507 0.930 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)c1 785344474 GTSAAHDAHQTFMS-SUNMQZQPSA-N 448.501 0.746 30 20 ICED CC(=O)OC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 792349430 BHDXMGLKDXTCBS-UHFFFAOYSA-N 437.474 0.276 30 20 ICED CC(C)(C)OC(=O)NCCCOC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 800074993 VWYZRDJRVZAANH-MRXNPFEDSA-N 432.543 0.851 30 20 ICED N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)OC[C@@H]3C2)cc1N1CCN2C(=O)OC[C@H]2C1 804555629 MCSCMFCCYSBZMF-KGLIPLIRSA-N 428.405 0.748 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)[C@@H]1CCCO1 809309843 HKGALUWAQIBQMP-PMACEKPBSA-N 447.557 0.940 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 814572284 CQTHVVPQLQYKEY-QGZVFWFLSA-N 434.518 0.112 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815861144 SEOYITLEDGHPHI-PTGBLXJZSA-N 433.534 0.509 30 20 ICED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 821714717 PXJNGRNIMNLZGV-NSHDSACASA-N 430.442 0.394 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 831425613 DSGKWTQKVJBKCG-HXUWFJFHSA-N 427.440 0.861 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(Br)cn3)CC2)o1 919479768 DQDCSECURDGKAQ-UHFFFAOYSA-N 437.254 0.706 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 919541837 YFQKERGQLAPFFO-ZDUSSCGKSA-N 437.474 0.642 30 20 ICED CCS(=O)(CC)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1185155638 ZLFOYVVZMARNQH-UHFFFAOYSA-N 434.565 0.617 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CCO1 1303004703 RXPKIWLJODDRJJ-HOCLYGCPSA-N 430.490 0.432 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2F)N(CCCNS(C)(=O)=O)C1=O 1319518512 LHZJYAWOSQTVHO-LBPRGKRZSA-N 434.490 0.972 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCNS(C)(=O)=O 1323488444 SMUKUSUVBWDFDH-AWEZNQCLSA-N 431.536 0.766 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)C1=O 1330459821 QFIKMIRLDKAKBT-UHFFFAOYSA-N 433.490 0.459 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503437177 QPMGKUQGWNUDGN-SFHVURJKSA-N 426.477 0.527 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517623949 BQGQBCMPMMMRML-INIZCTEOSA-N 445.549 0.679 30 20 ICED CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1547620732 LEHDHDNSYMONJA-ZBFHGGJFSA-N 436.542 0.614 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1548318560 GJFRKXBUDOXLBI-CQSZACIVSA-N 429.568 0.745 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1548322388 LIYDNGFIVLMGSE-OAHLLOKOSA-N 446.533 0.830 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(=O)nc1O 1627955250 LEFYCLGRWVBGHC-UHFFFAOYSA-N 433.827 0.988 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1=O 1712493688 QNWNHAMAXAEDOI-QGZVFWFLSA-N 441.536 0.974 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731182053 KJARMSNYRXLMJM-VQTJNVASSA-N 449.508 0.891 30 20 ICED CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1760848690 KLQZIMLFYWNPMH-UHFFFAOYSA-N 447.565 0.917 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccn(CCOC)n2)C1 1778241275 UMOURAFSKVXFSD-SFGWALBWSA-N 432.521 0.695 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065608 YSLGNWMZLUEENI-WZONZLPQSA-N 441.532 0.806 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104925 POHAPNIXJGFHNN-GOBHLQCFSA-N 445.520 0.310 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c1 1780173085 VQVJUZFSURCQDX-PGRDOPGGSA-N 426.473 0.631 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5c[nH]c(=O)cn5)C4)C3)c2c1 1780251692 OLIDCSFNHJEDHO-OAQYLSRUSA-N 433.428 0.275 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3cccc(F)c13)C2 1782015706 ZEPDLXYIIAEQAM-QVKFZJNVSA-N 428.420 0.918 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5c[nH]c(=O)cn5)CCO4)C3)c2c1 1782196818 LFBCUNWBTVOHDB-OAQYLSRUSA-N 433.428 0.275 30 20 ICED CN(C)[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1782826595 LRZUGJKQPBXFQI-TZIWHRDSSA-N 433.892 0.861 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782849935 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441.525 0.400 30 20 ICED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CC1 1790886375 BZQBTHOAELHTLB-BZSNNMDCSA-N 432.517 0.618 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1cncn1 1791610644 IIVOGPXBZKFYMR-UPRBYTDTSA-N 434.497 0.348 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1792145544 OHDHNKSAXBXCES-LXZJYRNTSA-N 440.500 0.443 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793263298 UOMIOCZQHRNLRP-PDPLOHQNSA-N 447.532 0.361 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1793357365 OJVMTSPOXAPMSR-XPCVCDNBSA-N 441.326 0.977 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c1 1795966595 CPSQMPAGCIWVOM-MUJYYYPQSA-N 436.405 0.543 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1797743977 KOZIAOPQJIVNEZ-YCPLQKHPSA-N 430.509 0.176 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1797839901 BEXNFYXCGPYNQM-DZCHITDISA-N 442.516 0.689 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)n1ccnn1 1799885638 VRGUVLWOGFDFRU-FRQROOTJSA-N 434.460 0.490 30 20 ICED COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1800557528 JJUOTANMDYHSQA-XOIINTDNSA-N 437.456 0.591 30 20 ICED 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)C1 1801139652 CYQAHHFLYZCVAZ-MFCZKXCZSA-N 449.504 0.311 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)c1 1801763456 BEJTVDVALZNADF-DEYWJSPQSA-N 433.530 0.952 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1801989580 QGTILNHZOWSHPM-CWPLJXCYSA-N 449.467 0.334 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1802477532 OZIZBZRXHSWPAK-ZTWVJJDTSA-N 441.488 0.398 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1803552880 IVCHHUVJZKNHNV-HHXXYDBFSA-N 431.562 0.610 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1808845806 OXXFZJGBWGXILR-WMEZAQDKSA-N 432.525 0.481 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810283454 AMTWVPHROABDNN-ZYHUGZTASA-N 426.521 0.838 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810347307 DNYJYFRMRBVAAN-OEMYIYORSA-N 436.578 0.692 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813227331 QYVVXPHQOFDLCE-BVSLBCMMSA-N 428.533 0.932 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)c2cccs2)n[nH]1 1815922515 MCLXYQJCOIJRKJ-CYBMUJFWSA-N 429.458 0.981 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819368200 JCLRRKBHPAJEJH-HUUCEWRRSA-N 429.477 0.900 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1819468879 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C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015234 NUJAWIAMCUAIMG-QHCPKHFHSA-N 445.516 0.526 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834763421 HTSFLGATKMJAQT-FQEVSTJZSA-N 431.449 0.644 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835490779 GJTRFFZWIJDSFZ-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675519 UERQMUALERUEHZ-JOCHJYFZSA-N 436.553 0.707 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1835990332 XPNVEIJOBYQXKM-YVABFXQFSA-N 443.504 0.521 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1836025275 LUCZYSSREKWVGT-QFIPXVFZSA-N 446.504 0.076 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836027653 MYOAMSVLMHSSLW-LXHZQTKUSA-N 446.479 0.078 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)cc1 1836162142 WDNKKWYNKIEABZ-HSZRJFAPSA-N 437.500 0.844 30 20 ICED 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ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451148 BIJJUARVCZFMAP-QHCPKHFHSA-N 442.516 0.805 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1)C(F)(F)F 1839893144 PHGFPKFEDHBVSE-QGZVFWFLSA-N 444.366 0.363 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1840169587 APGXILVJLYZGFY-JOCHJYFZSA-N 425.489 0.911 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486720 UJALKFVFWORGCO-TYNOOCNWSA-N 430.505 0.519 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc(C)s3)CCO2)C1 1840517669 QWMBUFMPTASSHO-KYNLDRKZSA-N 433.530 0.959 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840588519 GSRCVCORMYLGFF-GBXCKJPGSA-N 448.560 0.958 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818608 LOICSWLZFGOFOB-WZONZLPQSA-N 443.500 0.985 30 20 ICED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2)NC(=O)OC(C)(C)C 1846305209 WAZXLIIKQUWBFL-CHWSQXEVSA-N 429.539 0.965 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846980225 CRRLZELIINQYSQ-GOSISDBHSA-N 444.488 0.984 30 20 ICED Cn1nc(NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC(F)F 426930603 CBKAQAXBKDMCDM-APBUJDDRSA-N 430.371 0.832 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)n2)c(F)c1 434421765 XZGHRJKLFUEHHQ-UHFFFAOYSA-N 448.418 0.791 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 441963027 RUGDLCSUTUNYFP-LBPRGKRZSA-N 426.523 0.661 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 446768156 XQHVCXKAKFTERQ-UHFFFAOYSA-N 431.474 0.797 30 20 ICED N#C[C@@]1(NC(=O)[C@@H]2CC[C@H](C(=O)N[C@]3(C#N)CCOC3)N2Cc2ccccc2)CCOC1 464449590 TUFGZSPSKPVUCH-YDLSIGKMSA-N 437.500 0.617 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 467565249 TYCNEBSXZURXRQ-ZDUSSCGKSA-N 441.509 0.652 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C#N)c1ccc(Br)cc1 468625239 LYPPLDOVMPMPMO-CQSZACIVSA-N 445.339 0.964 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 470458624 KLGAZQSNCYMVHJ-UHFFFAOYSA-N 430.490 0.370 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O 474969583 PWRLMIFIGYBOEZ-GFCCVEGCSA-N 443.378 0.880 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 475919679 MHGDGJDCRFHFSL-LJQANCHMSA-N 448.545 0.560 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 476743226 HMMJTJQKLXFHEQ-AWEZNQCLSA-N 442.501 0.068 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 481775899 HFGFCASXLYTTCA-RVKKMQEKSA-N 440.518 0.959 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)CC1 491078052 GYQNRMMGGFXSSW-UHFFFAOYSA-N 442.520 0.164 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501899707 MHLLGOUHPFDADX-OAHLLOKOSA-N 440.485 0.473 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 505153502 VHZFRQPGCVYHTJ-KRWDZBQOSA-N 430.428 0.784 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 505217837 FIELTNYRQXTHHZ-UHFFFAOYSA-N 448.505 0.631 30 20 ICED C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508480643 IWYIBTOLOHGIPO-UHFFFAOYSA-N 440.504 0.979 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508721838 AWGGRCDXLGGMNN-IAGOWNOFSA-N 436.582 0.499 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 518018103 OMANEUMHPQFRRY-UHFFFAOYSA-N 437.522 0.625 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(OC)cc2)C1=O 518302338 OHTZRYBCWCMAPP-AWEZNQCLSA-N 432.458 0.512 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 518395208 GEEZSTBEUNOBNQ-IBGZPJMESA-N 426.521 0.315 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 532832025 NUVRJPULXWSIDJ-UHFFFAOYSA-N 437.522 0.720 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 536040866 ZEWHMWWJMRJRTR-UHFFFAOYSA-N 438.550 0.660 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC34CCS(=O)(=O)CC4)CC2)cc1 548519558 USAHUBRMMOQCPJ-KRWDZBQOSA-N 437.543 0.606 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1F 552730442 JBJAPCURLFKPPQ-LLVKDONJSA-N 440.478 0.911 30 20 ICED Cc1nc(Cn2nnc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)c2C)no1 552732806 IXYAAOBXIAVQQE-SNVBAGLBSA-N 430.450 0.503 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)n1 565336976 ZYZORVAMYOULAB-UHFFFAOYSA-N 445.439 0.768 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCc4ccccc43)CC2)nc1 582809044 DLBWSBQHMIUBDB-UHFFFAOYSA-N 439.541 0.934 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 586752547 RMAOUABYTLHPCC-UHFFFAOYSA-N 437.541 0.607 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654987 WMKNRYOJUUDWGD-SJLPKXTDSA-N 426.521 0.801 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1F 604270264 KACNCPGDHZTBOD-UHFFFAOYSA-N 446.504 0.173 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 611643103 HKUJPMHNNJHACJ-ZETOZRRWSA-N 434.301 0.868 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 617063795 FJIXAQRBFKJESR-AZUAARDMSA-N 425.551 0.865 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCN(C[C@H]2CN(CC)CCO2)CC1 669815894 GSAIEZPCDLFXJM-GOSISDBHSA-N 443.552 0.830 30 20 ICED O=C([C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 729369072 RLVPRCMCRXTFTO-INIZCTEOSA-N 434.518 0.355 30 20 ICED CC(=NNC(=S)NC[C@@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816757 OCIJHWOICYWXSX-HNNXBMFYSA-N 448.592 0.779 30 20 ICED C#CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 733162851 ZPKDDZAEDARZHQ-UHFFFAOYSA-N 438.506 0.782 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3scnc3C)c(=O)n2C2CC2)CC1 743726870 WPXQOQVYWWSMJZ-UHFFFAOYSA-N 429.571 0.677 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 748042528 LWRYHALBPRKMNN-ZBFHGGJFSA-N 443.525 0.634 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 748765345 BSNPUJLBVHOURN-IAQYHMDHSA-N 431.898 0.671 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCS(C)(=O)=O 748791673 WFZDYNYQWRRQNC-UHFFFAOYSA-N 435.552 0.616 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(=O)N(C)C 751139116 XUXREELBJZDTQW-UHFFFAOYSA-N 436.537 0.681 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 755554618 UKQHDPPSNXANTM-CZUORRHYSA-N 445.476 0.625 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(CC)s2)c1=O 758090318 PRAUJZRRHRGHOB-UHFFFAOYSA-N 441.582 0.229 30 20 ICED O=C(O)Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)nn1 759077467 YTJPCPJNYOKSCU-CXOKCQFOSA-N 448.457 0.887 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c1 768791250 MAJMKTFHWIYUEA-UHFFFAOYSA-N 433.530 0.699 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C)C(=O)OC)C1=O 769135199 OEIDBWQIXZQGFG-JTQLQIEISA-N 434.380 0.032 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 769218675 WUORQIUWKFUIER-UHFFFAOYSA-N 429.410 0.594 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc[nH]n1 770814360 ZLAIOROQFOXUCX-UHFFFAOYSA-N 449.489 0.227 30 20 ICED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 771513942 ORYSQLKOBKLFQL-SFHVURJKSA-N 434.294 0.884 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)cc1 771570061 XPXNFVVKQNLABV-GOSISDBHSA-N 432.454 0.956 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 783478954 HJQRXUDBEOEFIO-HNNXBMFYSA-N 436.486 0.848 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2CN2CCOCC2)n1 789788250 FTTCQRIADABVHG-UHFFFAOYSA-N 439.516 0.962 30 20 ICED C#CCCN1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 790835780 LJPUYHMJMVAJKO-UHFFFAOYSA-N 441.575 0.346 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)o1 791264883 UJIZEFTUSZTDRZ-LLVKDONJSA-N 433.442 0.769 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805383013 YSIGUOQUMSWURP-UHFFFAOYSA-N 434.562 0.922 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1 810444864 JNLQGZWWMKYSRG-UHFFFAOYSA-N 432.424 0.754 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 816128405 IBEXJKVGULZLQB-ZIAGYGMSSA-N 434.430 0.837 30 20 ICED C=CCn1c(S)nnc1-c1sc(NC(=O)CN(C)S(=O)(=O)N(C)C)nc1C 816842199 HSOHXDRSHFOMMR-UHFFFAOYSA-N 431.569 0.861 30 20 ICED C#CCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916564016 OVMHONLBXUBXFN-QGZVFWFLSA-N 439.559 0.308 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)OCC)CC2)cc1 918290844 HAUDLMJTGGKYEA-UHFFFAOYSA-N 438.506 0.732 30 20 ICED CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294257499 NTBOQWLHKNJOGA-OAHLLOKOSA-N 449.585 0.929 30 20 ICED CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 1330436609 MQJRISYTCAJNSB-HOTGVXAUSA-N 433.490 0.256 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)c1C#N 1450542980 LWYDCJVFNSRYTO-ZDUSSCGKSA-N 449.558 0.945 30 20 ICED CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1512643742 XRODPGADOLTTTM-OAQYLSRUSA-N 443.556 0.818 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1513922912 MXTPNSMIGGNCEB-SFHVURJKSA-N 436.520 0.280 30 20 ICED COC(=O)C1(NC(=O)COc2cccc(Br)c2C#N)CCS(=O)(=O)CC1 1538233031 WEPZXTRPGQYMOU-UHFFFAOYSA-N 445.291 0.936 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1547573478 YYPGRKDHLMUXGE-GOSISDBHSA-N 441.533 0.628 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1557189060 ZJCHKDLPXIETOS-FQEVSTJZSA-N 435.502 0.751 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1596043666 SQFITZNCXPNDCX-LZWOXQAQSA-N 425.559 0.743 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1618693380 KKSYYIGLQKCABG-GOSISDBHSA-N 435.492 0.529 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ncccn2n1 1638232230 XZXBBSJPLXEOBL-AWEZNQCLSA-N 427.490 0.894 30 20 ICED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)cc1=O 1639532431 KLYZUAORYXBJQQ-GJZGRUSLSA-N 426.452 0.718 30 20 ICED N#Cc1cc2c(n(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c1=O)CCC2 1656914640 LJACMNPGTHURJD-UHFFFAOYSA-N 444.488 0.881 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1742283398 IUSARRMRDDYHRH-YLJYHZDGSA-N 447.517 0.444 30 20 ICED CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761206002 VTCUBQIGVMCNHG-MRXNPFEDSA-N 437.570 0.970 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200006 FAPIMWNWNWJELE-CWTRNNRKSA-N 433.490 0.440 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1783056071 MFQNNJJRBSDALC-HXOBKFHXSA-N 447.532 0.723 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783556864 FHSHWORTYIYDMN-VFNWGFHPSA-N 445.497 0.015 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1784482824 GOTDCLOJNJWCJP-FYQPLNBISA-N 440.537 0.074 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc(O)nc(O)c1 1787293308 KCUBYIHAROOAJS-NTWUHEJNSA-N 448.476 0.615 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4CCN(S(C)(=O)=O)CC4)[C@H]3C2)C1 1788109187 BNRRNHPGWDXGLM-WDSOQIARSA-N 439.578 0.604 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653141 VZNQFONCHZTHKM-DSMOLAGKSA-N 425.526 0.902 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658357 JZMJMNORCMXXKU-IJXOQYMPSA-N 448.524 0.423 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)[C@H]2C1 1789221336 LSKDWMZYZHYRIW-JQFCIGGWSA-N 443.412 0.211 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)cc1 1792558742 AHBAJOOEMQSOAP-DMUMMCEESA-N 431.514 0.268 30 20 ICED C#CCO[C@@H](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 1793570581 QLBBPBDGDVMXGP-IECFSIQFSA-N 437.537 0.939 30 20 ICED COc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1 1794052869 ABGGOXARZVSSTR-RMFSNUHRSA-N 443.548 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(=O)OC(C)C 1794313420 HTTDMFSAIBAURR-VXIBKDFQSA-N 443.500 0.888 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798578351 DFGWWRDEWYKMQO-UEILYKACSA-N 443.504 0.478 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2)c1nn[nH]c1C(F)(F)F 1798709345 JDROOTCIGGRBTE-KVSKUHBBSA-N 433.284 0.927 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c1 1801067949 VLGIXNFPQNVTGY-REGYPHIPSA-N 426.473 0.296 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803570873 JCHANGSUSASYKF-KUDFPVQQSA-N 426.473 0.604 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803643262 IFUBTCDHVDCBNI-YESZJQIVSA-N 428.493 0.478 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806866318 SNDXJVGEOGEMGA-WSTZPKSXSA-N 430.461 0.886 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814053999 FLRKVJHQBSAPKV-GGEBOZFWSA-N 435.506 0.863 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770929 SKIZRHPGQXFQEI-OTGIAGGSSA-N 441.579 0.962 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1822920761 RKTPDKHQIMMMKZ-PWSUYJOCSA-N 449.489 0.163 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4c(c3)CCNCC4)sc2C1 1824643561 ZDDINYFCOMEBLZ-AWEZNQCLSA-N 439.497 0.540 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318917 WJNYJVQNBSJTPZ-RISCZKNCSA-N 432.502 0.553 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2)n1cnnn1 1826979099 STFXECKKSRGWDO-HVHIRKTFSA-N 431.526 0.775 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCN(C)C5)C3)C2)C1 1829672004 JTTPBRHOGJYQOJ-HSZRJFAPSA-N 443.548 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)(F)F)C2)C1 1829762304 CSJNSTNKQLACHE-IZRJCCQOSA-N 443.491 0.983 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1829764828 XPIKEYAATMXMSY-NYPGBQQYSA-N 448.545 0.309 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 1829773145 MGZXCRDUWFVWHS-NVXWUHKLSA-N 426.477 0.718 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829794257 OPQGFGJEBNZBIT-NRFANRHFSA-N 447.561 0.722 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)nc3)C2)C1 1831387324 OECXFNWBIZAEHN-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1832446868 JPPWVQGETHSDEN-CRAIPNDOSA-N 434.580 0.043 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832717452 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O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837441151 UUPIYZOQMZFLIK-HLQTZPMBSA-N 433.484 0.762 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488506 IHFCKOMNZHJCTM-JOCHJYFZSA-N 430.505 0.189 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524618 KTMZUYAUGMURRP-HVHIPWAVSA-N 434.493 0.624 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838513445 RYEMOLAIKUHAQZ-HXUWFJFHSA-N 429.502 0.960 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1838579444 LKQYIIQTTUGPBC-IVZQSRNASA-N 444.488 0.148 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1838834025 DYVYEDSLKORQON-FFCJBUTOSA-N 445.476 0.211 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085038 UDPGYXXNAWWAJW-PWHSHALESA-N 431.533 0.647 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223419 VKGUVKLSSITIAI-DNVCBOLYSA-N 445.538 0.150 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1839361581 SEPKIORKKJSXNT-QFIPXVFZSA-N 437.456 0.632 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)o1 1839361783 DBLOQTINCRACHT-QFIPXVFZSA-N 439.472 0.757 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839841076 MCDNILQFXUCETO-VFNWGFHPSA-N 434.493 0.980 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1C 1840043468 AJOFYTVQUAVVBQ-JOCHJYFZSA-N 443.456 0.111 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840171398 DRYYRXJAXCHYJA-IIBYNOLFSA-N 441.525 0.295 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203879 XVFRNYYUKKPGCZ-HNNXBMFYSA-N 443.369 0.333 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817911 ALYNBLOTOZZYKR-NZQKXSOJSA-N 445.516 0.800 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1847069213 LYKKHKUJJRFVQX-AWEZNQCLSA-N 427.523 0.151 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1 10150884 UYAMVZAGWFZDHF-LJQANCHMSA-N 439.465 0.812 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409522148 QPQURXZBWOMVRK-KRWDZBQOSA-N 442.563 0.585 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 409522896 ZLBYSTDXPWQKBL-OAHLLOKOSA-N 436.490 0.090 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 409556054 MUCOLJYOCIMECD-KRWDZBQOSA-N 445.563 0.791 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)C[C@H](C)O1 432495226 HGJTVANUFZLUGF-HOTGVXAUSA-N 435.550 0.736 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 448451562 FXRFPNCCBLMHLZ-BXUZGUMPSA-N 432.424 0.895 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1 465218953 GUGVEYDIWUYBEM-HNNXBMFYSA-N 429.506 0.547 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 465485116 XWXJMSOEFDWLDE-ZDUSSCGKSA-N 427.490 0.438 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 467296873 BJSQGGKVNGKIHV-UHFFFAOYSA-N 439.520 0.512 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472199793 FJARVXAEUPQXEU-UHFFFAOYSA-N 436.563 0.851 30 20 ICED N#CC1(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCN(Cc2ccccc2)CC1 482540326 XIYJEWCCICPWFF-UHFFFAOYSA-N 445.501 0.331 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C3)cc2C1=O 487666065 LWGQGJFEQXEZNT-ZWKOTPCHSA-N 443.500 0.927 30 20 ICED CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(S(C)(=O)=O)CC1 488276503 ZWYAMYPBGWUQMX-GOSISDBHSA-N 433.534 0.725 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 490555198 LARWEYUAHGDGGD-APWZRJJASA-N 444.517 0.763 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498957255 PBGBPGMVODAHKG-RYQLBKOJSA-N 427.592 0.427 30 20 ICED C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512197518 QYMQHNGTJBDJDH-ICSRJNTNSA-N 445.589 0.950 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1C 526038185 YJYUYZMRMLRPOV-HNNXBMFYSA-N 441.509 0.211 30 20 ICED Cc1ccc(-n2nc(CCCNS(=O)(=O)c3cc(C(N)=O)n(C)c3)c(C#N)c2N)cc1 530968421 QQVFOENJZHLIKT-UHFFFAOYSA-N 441.517 0.983 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccc(C(N)=O)cc1 532420028 LONCIOLQMSKOPH-UHFFFAOYSA-N 440.506 0.317 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CC(N)=O 533498966 HBDKGCOVRTTXJN-UHFFFAOYSA-N 447.520 0.486 30 20 ICED N#Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(C#N)c3)CC(O)C2)c1 534580224 XUQRELPFDKKYED-UHFFFAOYSA-N 432.484 0.986 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)nn1 546564016 MGYJHQKSEAVWQM-OAHLLOKOSA-N 446.489 0.421 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 552663718 IQZDQFGUNDQOBZ-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)Nc1ccn(CCC#N)n1 556182150 RVTMPDGYWJQSTK-UHFFFAOYSA-N 448.505 1.411 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 557733404 VVLIFTSVLKWOAL-IBGZPJMESA-N 428.581 0.865 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 564115393 NJZKMIIGLSESEM-KRWDZBQOSA-N 438.532 0.804 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c1 583842214 IXXIZOCVPNFLBO-FQEVSTJZSA-N 442.541 0.896 30 20 ICED Cc1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 609413172 VUEYCIVXPDUNPW-UHFFFAOYSA-N 428.536 0.293 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)nc1 610291981 PLOXKMDAEPCQIE-UHFFFAOYSA-N 427.486 0.611 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 672355629 GIKMZFSMACLVNV-GOSISDBHSA-N 426.583 0.606 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2OCC)CC1 728590253 YTYVWUOTCVSSFC-UHFFFAOYSA-N 444.351 0.904 30 20 ICED N#Cc1cnn(CCOC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1N 731772421 XOPKEVZQMKPTER-AWEZNQCLSA-N 445.457 0.517 30 20 ICED O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCCN/C(O)=C1/N=CC=CC1=O 741219390 LPZGSUXCWVXRNM-VXPUYCOJSA-N 449.485 0.654 30 20 ICED N#Cc1cccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 748238254 IDCNMHHPRWBLKZ-UHFFFAOYSA-N 427.438 0.718 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c[nH]1 753357664 IRBDFTFOCVSWBO-UHFFFAOYSA-N 444.513 0.042 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 767677925 HAYSGXYDJAECDE-KBPBESRZSA-N 445.501 0.996 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)C1 771075309 HSQUVFABHYXOMX-CQSZACIVSA-N 444.535 0.832 30 20 ICED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCCCC#N 771891320 LSASLTBICHDXLN-UHFFFAOYSA-N 435.462 0.088 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 777287774 OFBKKVFHMTXTOQ-JJIBRWJFSA-N 449.533 0.637 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790869900 XYPIPNPSWJQTTG-CYBMUJFWSA-N 446.407 0.509 30 20 ICED C[C@H]1c2nncn2CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 792355858 WREVZLHJBJCQGX-SXNXEAAASA-N 445.505 0.633 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c1 797379674 AKZSFIRTHKEAMB-NKFKGCMQSA-N 449.533 0.552 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC1(C#N)CC1 797780086 HEGAEHKDIAGLRE-JQPKSGMCSA-N 425.532 0.800 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 803447695 XODOJLWBLBFWLK-ZDUSSCGKSA-N 441.453 0.150 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)CC1 807390673 KDZAVWQBBJYKKM-INIZCTEOSA-N 445.524 0.889 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 809591118 ASLCVGLLCAQFMN-DEOSSOPVSA-N 441.576 0.461 30 20 ICED C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 816674880 MUZOHPKVZUCCLJ-SFHVURJKSA-N 435.546 0.417 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 917770185 GUAXIZACVDOSGU-UHFFFAOYSA-N 443.525 0.603 30 20 ICED CC(=O)NCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)s1 917984053 BPEZRFXVCXKUPS-UHFFFAOYSA-N 435.483 0.960 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1299301759 OLXXUEWVGAHZFJ-OAHLLOKOSA-N 431.478 0.007 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1303836481 MDLHDACBKWLZKM-PXAZEXFGSA-N 429.522 0.493 30 20 ICED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1315195220 KGEWUHPIKCTKIK-DJIMGWMZSA-N 439.586 0.736 30 20 ICED Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCS(=O)(=O)CC1 1492949021 OXQKAZZWCVFPNR-SFHVURJKSA-N 431.518 0.976 30 20 ICED COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1504110034 NPVWWBJMDYNFBF-WBMJQRKESA-N 438.485 0.813 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1641541118 OGELZQNJSMTWCD-KGLIPLIRSA-N 438.506 0.212 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1691004900 VUYBBMBUYSMFNM-QLFBSQMISA-N 429.568 0.601 30 20 ICED CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691323125 OZBBOSYPSKJLKN-VJEWJGBVSA-N 433.582 0.953 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncn(C)n1 1723909697 IQXHBXWWZWCSQZ-ZDUSSCGKSA-N 429.510 0.573 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1741906688 UIEWQPGLSLUOMW-HNNXBMFYSA-N 448.549 0.938 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1748201678 GQHKILBEPYYUGV-JOCHJYFZSA-N 440.504 0.843 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1760301067 RCSHVHCIRMNAIY-GHMZBOCLSA-N 435.348 0.512 30 20 ICED Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)n[nH]1 1762309041 XWRUNYCIWKTOLA-UHFFFAOYSA-N 435.492 0.781 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1766441785 LHNFWYGTPLYZQB-RXVVDRJESA-N 444.561 0.897 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951398 NBLJKXBYNPLFKB-NRFANRHFSA-N 425.493 0.455 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778955060 RIUWIFNEUDKTCX-VGOFRKELSA-N 434.537 0.223 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106350 OCVGIHUEAYIBIK-NSAAROSYSA-N 433.509 0.878 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779325090 LNPCYSHZUDQHSW-VGSWGCGISA-N 428.537 0.994 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2 1779336566 RCOBTQPTUOVZHH-VDVULAQNSA-N 439.553 0.225 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379745 FAPLCIKZGUCFFJ-HXUWFJFHSA-N 431.449 0.460 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1781112054 NYJZPKXLQAUVML-VWKPWSFCSA-N 436.509 0.348 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1781321552 VHHSCUWJTUGMGF-WMZHIEFXSA-N 430.501 0.728 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C1 1783196923 CYLUTFXRYKJSAS-CRAIPNDOSA-N 432.420 0.523 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]21 1783531486 RZDNGXKNEFWSCQ-OIMABFAESA-N 429.521 0.407 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1783533304 UHBGSOVRZMITED-PMSLMXJFSA-N 427.505 0.247 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783926878 ILMFAWFAWIJPOI-RBBKRZOGSA-N 436.505 0.131 30 20 ICED O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1785167267 HKFFSPFQIAQWBF-FKBYEOEOSA-N 446.507 0.843 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1785378788 QLJDIHDRXUGNKN-GBXCKJPGSA-N 449.511 0.732 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382022 NDWPQXCQKSYENH-DYESRHJHSA-N 433.530 0.881 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c(O)n1 1785774145 PVYIFIACAHNSRY-WBAXXEDZSA-N 441.492 0.186 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513651 NLBPTZOASDXFTE-QOSFWDOTSA-N 433.530 0.993 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1790571655 LKFOPOYCUCGBJL-FHWLQOOXSA-N 443.573 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NNc1ccccc1)C2 1792486381 KGFOLJMSBSXELK-MICTXERYSA-N 441.532 0.440 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])C2 1793345281 QKNSACITGAYJJD-MFCZKXCZSA-N 444.488 0.902 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1793345294 RCLRANFSABMVFF-AMVTXUCVSA-N 443.456 0.771 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1SC(=N)NC1=O 1796427841 SZFZNFHVQJJVOR-ICACMEBCSA-N 447.517 0.091 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1ccccc1 1797665565 VDBMMIDVZVLXEZ-YGWRDHKESA-N 426.517 0.935 30 20 ICED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818700 ZITABABOPPRYPM-UWGQQRPDSA-N 429.539 0.219 30 20 ICED C=CC[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 1800485555 LNOGVNKGTPVUOM-YSWKBACZSA-N 443.544 0.968 30 20 ICED C=CCC(=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 1801000106 JNJPXTSWUKYPFK-FSNPWBFUSA-N 437.537 0.770 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1803296001 FQMDCJUKWOFADR-FTRFTSBKSA-N 434.500 0.979 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803450797 QUHIOAVXGCPTNR-UZLBHIALSA-N 431.456 0.546 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807143870 PHVSZEAYOBEHGJ-IEBWSBKVSA-N 449.577 0.804 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)[C@H]1c1cccnc1 1807744719 ZKPIBPMDUZYPGW-QSNWEANLSA-N 438.484 0.576 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(F)(F)F 1812715910 ADKIANDPZIRWPA-FUHWJXTLSA-N 444.454 0.493 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817295288 VAJCREZOLAEVFW-DXRSZSRVSA-N 429.529 0.713 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C)CC1)CC2 1819710884 FMKOQWILEALJIS-WMLDXEAASA-N 435.594 0.876 30 20 ICED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn2[nH]cnc(=O)c12 1820121303 NHSBWTFKWAVPBD-CQSZACIVSA-N 437.416 0.448 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821463623 NLGVXQUHCQAVMU-GZTOBOFZSA-N 428.474 0.311 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCS(C)(=O)=O)CC2 1822930113 CDWNICVYDPKOAI-GFCCVEGCSA-N 443.547 0.999 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1829781706 BGOIVDFJJLYHOP-IBGZPJMESA-N 447.469 0.160 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829860781 UOQYJJCOUAHHDE-KNQAVFIVSA-N 428.489 0.543 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)c(F)c1)CCO2 1830295749 INIHTIXOCCPZTD-FQEVSTJZSA-N 438.839 0.566 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1831418251 ALFSSWASWGVOEX-FZKQIMNGSA-N 425.511 0.241 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831687000 GTWJHAAJQCPRPA-IIBYNOLFSA-N 425.526 0.196 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1833234382 CBYFOABAUMEODN-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1834408446 IEFNDCHOVOJBAE-OAQYLSRUSA-N 434.493 0.482 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1835098225 CBNWWSICWHMVTN-DEOSSOPVSA-N 445.479 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835677229 CGMCRALPBWLVJW-IBUSPFOHSA-N 448.568 0.196 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836786291 FSQZLIZCXIPGEO-XQNSMLJCSA-N 449.552 0.909 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837070630 NMXAJXVEDJLNKE-QGZVFWFLSA-N 426.583 0.497 30 20 ICED O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)=NN1 1837356356 OYVVHPQMANBTPH-OAQYLSRUSA-N 444.875 0.024 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1837394529 CIVNBCNZQXDCNP-VGOFRKELSA-N 433.505 0.733 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837488810 SNRVTVRNCQPZPY-QHCPKHFHSA-N 445.491 0.989 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530931 UKGXSBICHLEWML-FGFLLGFSSA-N 439.509 0.587 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837562776 PIYNJVKVGFCFIK-UZXXWRCNSA-N 441.484 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908513 YIFGHDWTYORMHG-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605337 ZLYNCQZUSNNYFF-NRFANRHFSA-N 443.460 0.325 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)cc1 1838949907 CIGJWRCNOYYQGI-HXUWFJFHSA-N 427.486 0.981 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186039 WSHQVNSSXYEDAU-IVZQSRNASA-N 446.479 0.208 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839294819 MEYBQWLEMQGKNN-JOCHJYFZSA-N 448.495 0.883 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ccc2O)CCO3)c1 1839447867 AYUSMIQBEZTGLE-OAQYLSRUSA-N 426.429 0.681 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1839810752 PNHUMNLZPYHEKB-JOCHJYFZSA-N 429.473 0.345 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839846662 ZKKYKFIGESMODE-IIBYNOLFSA-N 448.476 0.425 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)CCO2 1840045426 JTIFCRABOIZJRN-VGOFRKELSA-N 435.521 0.866 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410513 JEEYDVLXYFSSEI-JOCHJYFZSA-N 437.456 0.497 30 20 ICED N#CCC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1842623811 GJBOEXQDQCAQTF-HKUYNNGSSA-N 426.473 0.875 30 20 ICED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582139 UGAAILCVGCLWIV-UHFFFAOYSA-N 425.518 0.736 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2CCN(C(=O)OCC)CC2)C1 1846978507 XMGSSSIYWBKHAB-SREVYHEPSA-N 432.521 0.917 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138507 ZIRWUSOBHUVPEP-OALUTQOASA-N 433.468 0.964 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](O)CS(=O)(=O)c3cccs3)NC[C@@H]2C1 305217770 TWDVESPXTMHHGR-KGLIPLIRSA-N 444.579 0.763 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 409521599 MRRRWIXJLRWHNU-UHFFFAOYSA-N 445.523 0.690 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1=O 440265406 AHKKAVRFSFOYBE-GOSISDBHSA-N 428.489 0.651 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccnc1 440395586 YPUGZEATPRGNSN-UHFFFAOYSA-N 449.492 0.278 30 20 ICED CN(CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 440515978 ZVSNDINBMQUPMV-QFIPXVFZSA-N 442.541 0.932 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1C 442140219 RKPCMKJMAFNKDQ-IVZQSRNASA-N 449.471 0.794 30 20 ICED CCCn1c(=O)nc(O)c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cnc21 465264662 IJYZFLKPNQJDQF-CYBMUJFWSA-N 434.460 0.920 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 465421166 JWXBPMQJZHCTLM-ZDUSSCGKSA-N 435.423 0.744 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1 467061123 BXPZZOUIBDHMAN-OAHLLOKOSA-N 427.465 0.802 30 20 ICED COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472192291 LONNRELPSCJWJR-UHFFFAOYSA-N 433.490 0.663 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccon1 480926761 LODCIHLUZMHURE-UHFFFAOYSA-N 444.538 0.972 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C2CCN(C)CC2)CC1 481252155 OBJRGRYYSRWDMD-INIZCTEOSA-N 433.578 0.900 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 505701302 WJQCUGSEODSUBO-HOTGVXAUSA-N 442.541 0.630 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCCCN1CCCC1=O 507352248 ITCNYHIHRYNIDN-UHFFFAOYSA-N 446.533 0.819 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 513572356 IGSSCIRIJMWOHO-UHFFFAOYSA-N 431.511 0.821 30 20 ICED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 518510985 OACLLHRTIKDZRM-QZTJIDSGSA-N 443.614 0.708 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2C)c1=O 523742972 JSHVASQLGXKDDF-INIZCTEOSA-N 429.542 0.909 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C(C)C)c1=O 527280001 YJOYQMOFVBCGOI-UHFFFAOYSA-N 429.546 0.849 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 533715268 FYSMCWOSPYSMOQ-UHFFFAOYSA-N 449.479 0.586 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542085753 RFJBCOITTBMAFC-UHFFFAOYSA-N 443.895 0.662 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 542473038 ZEZUQXGVSQUESV-UHFFFAOYSA-N 431.478 0.318 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552580723 ADEKRYRUDDCKKF-FXAWDEMLSA-N 429.521 0.334 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)C1 554413172 DNKZZGNKSACSCH-ICSRJNTNSA-N 442.564 0.855 30 20 ICED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 556167770 TZSQZRISUNCFHX-HOCLYGCPSA-N 429.477 0.975 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 571334776 ROXDVSOARFZVCK-UHFFFAOYSA-N 430.461 0.960 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 584077688 ZEUPBXNVPVRCNP-MRXNPFEDSA-N 432.510 0.921 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)CC2)c1C#N 584564096 AKYVZKRGJOVAPE-UHFFFAOYSA-N 428.518 0.962 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)CS(=O)(=O)CC 588871341 WYBWSTIZILLNFH-YJBOKZPZSA-N 448.545 0.447 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 604145699 SZYMQTPJBJIGDH-UHFFFAOYSA-N 427.461 0.257 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 609282883 DOXMFNFSCRWFLR-CQSZACIVSA-N 437.522 0.473 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 612267507 AVIOZCNNTLAOJP-PGRDOPGGSA-N 426.473 0.792 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 615614454 LPBFTCGLXOIETF-UHFFFAOYSA-N 441.448 0.621 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1=O 623230582 CDDRPTLJNMYDSO-UHFFFAOYSA-N 436.827 0.740 30 20 ICED C=C[C@@H](O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 646636063 QLGVJRBOGSFNQE-CQSZACIVSA-N 431.898 0.305 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 673739731 WNSNAZZDDLQQIM-OAHLLOKOSA-N 432.502 0.812 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 729766491 QPBFRDROVIQUAP-UHFFFAOYSA-N 442.490 0.283 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 732154880 VLEWHMAOYBNWGN-RTKGTMKWSA-N 432.477 0.611 30 20 ICED CN(C)CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 737306292 MXLXKEAFNBLBBD-ISLYRVAYSA-N 449.895 0.862 30 20 ICED CC(C)CNC(=O)N1CCC[C@H](CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 741442779 ODDZKEIEEQYOMW-HZPDHXFCSA-N 426.539 0.420 30 20 ICED C[C@H](CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742602249 SYTFTUYDNSISNR-GFCCVEGCSA-N 443.485 0.358 30 20 ICED C#CCN1CCN(C(=O)CSc2nc3ncccc3c(=O)n2C[C@H]2CCCO2)CC1 749875001 SOZFFEUOOCENLP-MRXNPFEDSA-N 427.530 0.840 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc(O)cc2)CC1 749900888 ZWVPJBMWPFTZCY-UHFFFAOYSA-N 443.481 0.883 30 20 ICED CN(C)C(=O)CN1C(=O)C(=NN[C@H]2CCS(=O)(=O)C2)c2cc(Br)ccc21 750912204 USFOLOWPYQDXCK-NSHDSACASA-N 443.323 0.365 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C#N 752205014 XUDXWCXRJZWOOZ-UHFFFAOYSA-N 425.405 0.512 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 756893319 TWXCZDULKAXGSH-BZSNNMDCSA-N 449.552 0.575 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 758056504 VWRIKRZWYLQCED-UHFFFAOYSA-N 445.447 0.958 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 758480267 QWMILMXSPZHHOA-HOCLYGCPSA-N 443.570 0.554 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccc(C(N)=O)cc1 769203921 FKZUVPURYAKHJE-LBPRGKRZSA-N 430.442 0.506 30 20 ICED CCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F 771888862 HSFAUTFRTGUHMA-UHFFFAOYSA-N 432.405 0.397 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772309994 CVJPYDUAGLMTFK-UHFFFAOYSA-N 439.562 0.939 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)n1 788819431 KDSYSROTKDEYOY-UHFFFAOYSA-N 434.518 0.418 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 789792897 BAGJQKWNPGBAQK-UHFFFAOYSA-N 436.516 0.891 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nnc(CC#N)n3C)C2=O)cc1 794471071 OBRCLIXHLMKRGP-GOSISDBHSA-N 429.462 0.480 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806863781 RHFFFDOIUTVMJK-SJORKVTESA-N 448.483 0.517 30 20 ICED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N 808237223 HDSKHRZWIYEEDB-LJQANCHMSA-N 431.452 0.972 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCNC(=O)CC2)CC1 815419092 NQTJIXZVBNFPBE-AWEZNQCLSA-N 441.444 0.914 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 815861058 OTKGNSMNBVMXFH-UHFFFAOYSA-N 439.516 0.510 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)c1 821172548 BEGXIDAJTMABQJ-INIZCTEOSA-N 428.470 0.605 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CCOC 838211619 LZBCDFRXOCSEQK-UHFFFAOYSA-N 428.333 0.629 30 20 ICED O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCN/C(O)=C1/N=CC=CC1=O 1116025761 REINGESBLFDEBG-ZCXUNETKSA-N 438.531 0.718 30 20 ICED 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C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967946 HESXQMBFGNHBOX-UHFFFAOYSA-N 434.497 0.181 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838529246 STFLKXLVPVUUAZ-QFIPXVFZSA-N 433.505 0.438 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756082 SUAATNCPWGWRHQ-HRAATJIYSA-N 433.509 0.141 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839222464 OETGZXWIKVRZJJ-DENIHFKCSA-N 438.569 0.976 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451562 BCCROQOUVWGBHQ-QFIPXVFZSA-N 431.489 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552288 RSFVNKIVLWGTHL-JPYJTQIMSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839697290 ORNMKQSQFXZWGO-HNRFISEJSA-N 434.562 0.790 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)CC1 1839762107 WPRJVJBTFVHLSU-OXJNMPFZSA-N 439.509 0.587 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839890012 CDDFROBXDOHKRT-GOSISDBHSA-N 430.448 0.998 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1)C(F)(F)F 1839893430 YNGPZZDDFFSVSX-GOSISDBHSA-N 439.394 0.918 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840291419 UVSCKLICRULFNE-QVKFZJNVSA-N 435.477 0.002 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840404728 BPCJQZQZWKXZEE-BMUPIEFHSA-N 446.552 0.681 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1845254993 WMPHOAUCGYSCEX-CQSZACIVSA-N 433.534 0.896 30 20 ICED COCCN1C[C@@H](C(=O)N=[S@]2(=O)CCCN(C(=O)c3ccc(C#N)nc3)CC2)CC1=O 2088596053 ASEMVZWIENLQDT-ZYSBOAIWSA-N 447.517 0.289 30 20 ICED CN(C)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 31506802 KSHZIYYHJWXMQY-UHFFFAOYSA-N 433.534 0.785 30 20 ICED C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 410017798 UYDWXUCXUPXLRR-FMKPAKJESA-N 432.448 0.409 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 438309632 ZJRHAVQWUDFQQY-UHFFFAOYSA-N 447.477 1.552 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 468287687 RQUVGKOPKKDDEC-GOSISDBHSA-N 435.550 0.230 30 20 ICED CCCN(C(=O)[C@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 472153119 IRXKCFMVONSRQB-DLBZAZTESA-N 436.582 0.536 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C1CCN(C)CC1 474358667 TTZXLGODPWIRBT-UHFFFAOYSA-N 425.558 0.909 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478738229 MZNPTLPGQKNGTO-INIZCTEOSA-N 427.530 0.671 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 482192143 MBTHSGWRCUQIBE-CYBMUJFWSA-N 436.515 0.913 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 482808670 DEIHSUAXPKWXCW-KRWDZBQOSA-N 449.519 0.304 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 501920015 LLMJBZAHXHBAJF-IUODEOHRSA-N 435.462 0.355 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 517119120 JKDGRIIZAILEEH-UHFFFAOYSA-N 431.449 0.783 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 517257819 HBNVAFMHUJZRJS-GOSISDBHSA-N 437.504 0.480 30 20 ICED Cc1ccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1S(=O)(=O)NCC#N 517573787 JMAPEQOSGAZPLG-UHFFFAOYSA-N 435.550 0.469 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 523734027 PQIXCPYYDAZJQZ-UHFFFAOYSA-N 436.515 0.944 30 20 ICED COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 533903925 YVITYCZMKDWDDE-CQSZACIVSA-N 433.486 0.921 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 547271235 KXEGASUKHKMXDM-HNNXBMFYSA-N 446.489 0.734 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 547948017 BPLHSBYKIIKISF-UHFFFAOYSA-N 448.907 0.749 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C1)CC2 550154639 OCGJYLFUJVDOPL-QGZVFWFLSA-N 444.447 0.971 30 20 ICED CC(=O)N1CCC(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 553551144 RIOYYOYRIHUVGA-IBGZPJMESA-N 425.489 0.545 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 556422644 OGVTXMCIOYZJNA-PKOBYXMFSA-N 431.518 0.631 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1F 558526685 SIUQYJDHZPOBEA-UHFFFAOYSA-N 439.451 0.611 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C2 560188308 UZXLBVOPLJVOLK-UHFFFAOYSA-N 444.517 0.941 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 561476373 CIBSKQHFHBVQID-LBPRGKRZSA-N 448.364 0.814 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 567183078 HSWHCSCPRXYACL-NRFANRHFSA-N 444.532 0.718 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 568429136 CZMHUHARRWIWKA-AZUAARDMSA-N 442.564 0.855 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 572651730 PXBJXFDFLKULPM-UHFFFAOYSA-N 430.461 0.960 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc2c(c1)OCO2 577418609 DCWFJXWFWQIBFY-UHFFFAOYSA-N 435.461 0.885 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CCN1Cc1ccccc1 579739967 IICFBJZCECMSBU-NRFANRHFSA-N 448.527 0.771 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1 588843620 XYIDPFNOTNOXRK-HNNXBMFYSA-N 432.506 0.904 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1C 609563968 IXRMKEOSYRFTSE-UHFFFAOYSA-N 442.566 0.090 30 20 ICED C=CCn1c(SCC(=O)c2c(O)nc(=O)n(CCOC)c2N)nnc1-c1cccnc1 670372201 JCAQZGUMRFHBTJ-UHFFFAOYSA-N 443.489 0.992 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccs2)c1=O 684535581 SDORKSNVVXSDQK-ZDUSSCGKSA-N 431.539 0.558 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOCC 725763988 CZJNVIGHXHSOSQ-UHFFFAOYSA-N 431.562 0.716 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC 730802114 ZMTZLWPKDWGAEU-UHFFFAOYSA-N 437.468 0.490 30 20 ICED COc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)NC(C)C 731861388 ZUNDAUFBRPVRRH-ZPHPHTNESA-N 436.490 0.638 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCSC)c2=O)cn1 751832483 QDITYPRSCKEBBL-UHFFFAOYSA-N 447.586 0.241 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 758077008 LEUUXRJQJMTEQW-AWEZNQCLSA-N 437.521 0.903 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCCO1 758098758 VBKNDOHSTLPNGH-INIZCTEOSA-N 429.546 0.725 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O 759241687 XDMNWTQXPRDJKP-HUUCEWRRSA-N 430.461 0.827 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 773238287 SJGJYFUXEXFPLM-UHFFFAOYSA-N 442.497 0.633 30 20 ICED COCCN(C(=O)COC(=O)c1ccc(C#N)o1)c1c(O)nc(=O)n(CC(C)C)c1N 796153960 LESIZXWLVBPWSI-UHFFFAOYSA-N 433.421 0.488 30 20 ICED Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1-c1nc[nH]n1 798281012 CVLSGFUJFTYFDZ-ZVHZXABRSA-N 429.466 0.759 30 20 ICED C[C@@H](C(=O)OCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)n1cnc(C#N)n1 798741897 FKIGIGLICPWSNN-RBZFPXEDSA-N 439.432 0.228 30 20 ICED COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 807029350 DIUDUZLZRBBRTP-ZUOKHONESA-N 434.424 0.397 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 815861108 QVIIRCFHYYZZSA-UHFFFAOYSA-N 431.512 0.894 30 20 ICED Cc1cc(C=NNC(=S)NCCCN2CCOCC2)c(C)n1CCN1CCOCC1 915942836 SDHVKCKIIMDHHU-UHFFFAOYSA-N 436.626 0.957 30 20 ICED CSC[C@H](C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122506322 KBYSOIOQJMXBPN-ZFWWWQNUSA-N 429.564 0.190 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc2c(c1)OCCO2 1287502819 YMWYUJUDSJWYGR-UHFFFAOYSA-N 430.442 0.251 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1302585481 ORJVUMDXOXCBFT-INIZCTEOSA-N 447.492 0.511 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1316101272 GDWYRXUWMAALSR-JYJNAYRXSA-N 426.543 0.633 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1322846482 NFVNBCDPJQRAQH-MRCUWXFGSA-N 426.477 0.153 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1360794014 KAFQLYSTAJTJJS-JOCHJYFZSA-N 437.504 0.767 30 20 ICED N#Cc1ccccc1OC[C@@H](O)CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1647861169 OUGISNUMNODWEI-FQEVSTJZSA-N 444.557 0.894 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1691004899 VUYBBMBUYSMFNM-KFWWJZLASA-N 429.568 0.601 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746462107 VETBBVIGAFEDOL-PKOBYXMFSA-N 427.557 0.681 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1747427111 JSXNWWNZEFWDNJ-QGZVFWFLSA-N 433.538 0.664 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1769845646 QNZATKVFUQWKTQ-MRXNPFEDSA-N 433.538 0.888 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785341 URMVQGNVNLXSDV-IERDGZPVSA-N 443.508 0.986 30 20 ICED CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1778796671 SWVXKMDPIDPFJK-AFOQQOFXSA-N 439.509 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1779336661 SNKHGRWSDVKAAJ-YJPQMCDFSA-N 441.525 0.138 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779428553 OEUSIDFQZGMSAD-ZUSGQUMZSA-N 448.524 0.711 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779946970 DBWCEQCSJLGGCA-VBKZILBWSA-N 432.502 0.791 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3[nH]nc4c(Cl)cccc34)C2)C1 1780943541 VAJRSKICFLSSHY-HXUWFJFHSA-N 430.848 0.677 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1781269452 SSQAAHJDVOGONS-OAQYLSRUSA-N 427.461 0.682 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)ccc1F 1781302315 MXTIBECRGKIIHO-NRFANRHFSA-N 426.452 0.752 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCO2 1781401112 VCOHIMICFPHPDS-HLBODDRNSA-N 439.538 0.420 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)ccc1F 1782959837 LQTDUJNEXCQTHO-GHTZIAJQSA-N 449.504 0.647 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CCC1=O 1785376866 XVLHRZCGQHZIKV-JOCHJYFZSA-N 439.472 0.375 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccnc1 1788652349 BVJYYVKHQCLTDI-JCBINLFSSA-N 433.509 0.953 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788776023 ZBDHHWIKOWWKKQ-MUGJNUQGSA-N 428.489 0.303 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C(C)(C)C)nn3)[C@H]2C1 1789354492 BNVRKVBZEYSNHY-LZPLBESISA-N 444.536 0.485 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936157 WLOOSQDPDUZNQI-YVSFHVDLSA-N 425.526 0.818 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1792257811 MPCZVROFWTUODD-JONQDZQNSA-N 446.508 0.315 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)cc1 1792423795 WCCDPFPEQSLQGZ-IRJINJETSA-N 434.496 0.942 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792888881 IWJHAZQTLKGNOJ-XGUBFFRZSA-N 447.479 0.673 30 20 ICED 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)C#N)C2 1793086265 RTDMGHUEESCWQW-FZKCQIBNSA-N 438.525 0.401 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414748 KIZDIUHTHTZSLX-LAVAIGHBSA-N 448.541 0.261 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1797783118 DHDBGPWKNRRCFP-HATOLVCRSA-N 426.517 0.697 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1802476514 IWPQGQKMXMDTLC-HTJWAQAGSA-N 435.484 0.893 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1803556769 MVIKEXSVBUQCMB-UWJYYQICSA-N 443.504 0.622 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1803560463 KUVWEJGIYARXBY-OFNKIYASSA-N 448.564 0.357 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807143871 PHVSZEAYOBEHGJ-MJGOQNOKSA-N 449.577 0.804 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810326334 BICWAUCJHMTSBO-WIYYLYMNSA-N 437.504 0.473 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1810567628 SGTCIMIUKQLJNX-YZGWKJHDSA-N 438.488 0.752 30 20 ICED NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1812631379 DUSVBTIFBVCERU-BMIJGBIGSA-N 431.493 0.882 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813426487 BAVMYYFYNWYVPC-VPVLLMPFSA-N 437.504 0.628 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)ON=C(C)C)CC2 1819470436 FUWVZZGTGLWUIV-LYOVBCGYSA-N 441.510 0.921 30 20 ICED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)[C@@H]1SC(=N)NC1=O 1827671642 BXNOKBFFCVYUFE-JDFRZJQESA-N 434.518 0.497 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630075 QFTGBWFLGADJEB-JOCHJYFZSA-N 438.488 0.390 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)on3)C2)C1 1829765405 VWLJTAZFIWJPJC-LXHZQTKUSA-N 446.504 0.726 30 20 ICED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1831386012 NEWZAQQBBDIKCO-QHCPKHFHSA-N 443.500 0.820 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1831393535 NDXCXQGXWNXCFA-GAJHUEQPSA-N 441.484 0.865 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831402634 NKOPAALOFPPIED-AVRDEDQJSA-N 432.521 0.074 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832150882 NKRNTCGRCGSYBJ-CVEARBPZSA-N 426.457 0.675 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1C(=O)O 1833606733 SKGGNUWVMSWFLX-HXUWFJFHSA-N 433.465 0.536 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710791 SVWPNLBXYLUIET-UHFFFAOYSA-N 449.552 0.093 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C)n1 1835672704 IJEJHRKJHPNTDV-OAQYLSRUSA-N 432.525 0.080 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836109863 OHYITNZEQVVVQX-QFBILLFUSA-N 440.591 0.980 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491608 QLGIWVOXSQOMQH-QHCPKHFHSA-N 447.507 0.933 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817925 RXQKPFOMZQZKHX-CMEFWWCBSA-N 448.476 0.386 30 20 ICED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1837882098 ISBQGJYBTIBJSS-FQEVSTJZSA-N 441.532 0.763 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838095460 GPRIGEAZJAFGOG-XRLXATLGSA-N 427.461 0.567 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403959 JECCSCIOSKSMBL-FNNTWHHHSA-N 435.477 0.602 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426906 JVISAOUTMQEMAR-IERDGZPVSA-N 444.492 0.600 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838460138 GHXNTWGLFXJRGI-UZUQRXQVSA-N 438.484 0.738 30 20 ICED CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CCC1=O 1838905550 LZWUQZGEGWQBEC-JOCHJYFZSA-N 439.472 0.236 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838907213 FIILAXPTJFZZPO-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839158855 LJCOJFQISBZEFF-HTAPYJJXSA-N 428.489 0.082 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1839223158 OLILRDOMDRGFTJ-DBXWQHBBSA-N 435.525 0.777 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839225576 NKHYOPMZALOHOZ-HRAATJIYSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839227863 MAXTZFYFEVHERR-OPAMFIHVSA-N 447.536 0.780 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228582 ISLBOMAQCYJKEH-BXWFABGCSA-N 431.555 0.358 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4cc(C)ccn34)CCO2)C1 1839600568 IRXITLKJVPUIHR-WZONZLPQSA-N 440.500 0.751 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839846663 ZKKYKFIGESMODE-KKSFZXQISA-N 448.476 0.425 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285752 ZHKGMYSIEDDVBK-LEGPSTSBSA-N 439.843 0.803 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)CC2=O)c1 1847217218 RROQTDLNQLIMFE-WBAXXEDZSA-N 425.441 0.338 30 20 ICED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 10206147 NCRBMDABLFDVTG-UHFFFAOYSA-N 425.445 0.394 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 17743480 OHGTULMNHGLCAL-UHFFFAOYSA-N 449.514 0.744 30 20 ICED N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 23434831 ZMPAULAXROBGAB-UHFFFAOYSA-N 439.497 0.985 30 20 ICED COC(=O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 27562525 BXTJSFWIJBQPQJ-QGZVFWFLSA-N 434.518 0.419 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 116541918 RMGXURYIXKCGHM-JOCHJYFZSA-N 435.440 0.903 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 410160210 DDIZIFNQNSQYIU-CHWSQXEVSA-N 431.540 0.238 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 442494646 LAMSCPWTRCWHGC-HSZRJFAPSA-N 438.532 1.544 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447787746 RKCVAKQYUBWRTG-SFHVURJKSA-N 449.536 0.914 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 460611153 IYHLJGWKIORQGA-UHFFFAOYSA-N 445.365 1.039 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C#N)CC2=O)cc1 461862021 UPYYUCFAMHMTCW-WBVHZDCISA-N 434.518 0.821 30 20 ICED NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c[nH]1 462020653 OWTWNXQIYLCOSW-UHFFFAOYSA-N 428.392 0.579 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463384972 PCJNQUAACHJDGM-HOTGVXAUSA-N 428.536 0.469 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 464427368 QAAYZZXNNBXLFB-UHFFFAOYSA-N 439.519 0.432 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 480785947 KVXOVWWABLINSX-YUNKPMOVSA-N 441.469 0.918 30 20 ICED C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508511411 UKMLZUWUMOUWBT-UHFFFAOYSA-N 442.495 0.701 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2cccnc2)c1=O 512776526 PBHAGSSVYUXXMR-UHFFFAOYSA-N 448.552 0.889 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 518301259 WJEXFXSUWULFSV-RTBURBONSA-N 443.523 0.963 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)S(C)(=O)=O 518506754 ORMDENQLDSPZAL-CQSZACIVSA-N 429.502 0.304 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)C1=O 521260876 MJAVTSVSWBQOSM-IAGOWNOFSA-N 432.521 0.668 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 522535948 NQFBQRULMHLWGT-UHFFFAOYSA-N 449.448 0.155 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(C)(=O)=O 546903703 OPPKBALQJWMXQW-UHFFFAOYSA-N 442.501 0.636 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)CCO1 550513854 GAFSHHBADQIYIU-KRWDZBQOSA-N 449.515 0.538 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2=O)cc1 550947203 QPTOQSQCDKPEBK-IBGZPJMESA-N 443.467 0.672 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@H]2CCOc3ccccc32)c1 564533922 ZCPCYTXZCZDPCV-KRWDZBQOSA-N 428.470 0.593 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2=O)cc1 567511407 SXBYQNNLAWOLSR-LJQANCHMSA-N 443.467 0.672 30 20 ICED COc1cc([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1OC 585720677 ZUBIGVIAOJIIHI-LBPRGKRZSA-N 444.492 1.158 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 587653622 HPTARTRSQMGTPM-IBGZPJMESA-N 447.499 0.745 30 20 ICED CC(C)N1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 589465715 HUFQQHQDKYDRIK-UHFFFAOYSA-N 433.578 0.854 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604496596 AOZYUEKGIICKGC-QGZVFWFLSA-N 442.520 0.253 30 20 ICED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 608912165 OIDROIWFFCTZTC-UHFFFAOYSA-N 436.493 0.485 30 20 ICED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n12 732664543 QKNISSBZVYBPLS-ZDUSSCGKSA-N 430.542 0.096 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 747570802 KMRMNJHDERRKAE-FYLWIRDISA-N 445.480 0.167 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 749665485 CJCZQYKRMRGAJY-UHFFFAOYSA-N 431.493 0.270 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C#N 752406463 XIZYJNBIMXYWNL-KRWDZBQOSA-N 443.460 0.961 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCC(=O)N(C)C)C1 752738750 BIJIYIXELYVCHZ-INIZCTEOSA-N 436.534 0.600 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 758055389 OHLPIJGHEGIJCV-CYBMUJFWSA-N 435.505 0.657 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758079775 RBIZZDYJZQTXLH-UHFFFAOYSA-N 445.504 0.091 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758584602 HZEOHTVWSXAGTM-UHFFFAOYSA-N 441.557 0.581 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 763457454 AZBLTFQDHOZOIB-QGZVFWFLSA-N 444.557 0.331 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 769885450 KWJBYWIQEJNYLV-UHFFFAOYSA-N 449.536 0.568 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C)[C@H]1CCCO1 773788817 CAXVUXYZOVURLU-DOTOQJQBSA-N 437.518 0.960 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 782118965 XMESOZWRBOCEPM-UHFFFAOYSA-N 436.534 0.006 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 782969524 XNEWQXVXHXLLJC-OAHLLOKOSA-N 426.466 0.828 30 20 ICED N#CCCN(C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 785663430 PDTXVVAZKDZHQI-GOSISDBHSA-N 428.489 0.657 30 20 ICED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787353 JIJQRYAKDKOZJY-QZTJIDSGSA-N 427.553 0.498 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 795816074 GCOQFHBWCJTPMJ-RTBURBONSA-N 444.513 0.115 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cn1 801287471 YVKBCKWLOIFJIY-IBGZPJMESA-N 446.467 0.532 30 20 ICED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)s1 805902457 POBQUJYXPKZPLE-LLVKDONJSA-N 438.466 0.839 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCN(C)CC1 842277708 OQVSXPVVEUWWDQ-GOSISDBHSA-N 435.594 0.894 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1 917155305 QADXBXXLTSMRMD-UHFFFAOYSA-N 425.489 0.520 30 20 ICED CCN1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C(=O)C1=O 918537763 YLMHGJQPVGAJMJ-UHFFFAOYSA-N 432.380 0.073 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286969732 QZEKLRWPUONOMF-RDJZCZTQSA-N 433.538 0.845 30 20 ICED COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccccc1 1455279182 SSLLVULRNUVFDQ-MRXNPFEDSA-N 431.470 0.852 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475884 HWBCDVATSKHKOA-GUYCJALGSA-N 435.531 0.391 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1=O 1504915176 ZVLODNZVELUNJR-UHFFFAOYSA-N 440.504 0.653 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1505145790 SIBHAHCIYYNBHH-INIZCTEOSA-N 429.506 0.177 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541928053 VHYXLXCKUYSKFV-SWLSCSKDSA-N 448.546 0.298 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1547766052 YFDQRDMCLBKDTO-UHFFFAOYSA-N 448.535 0.757 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1555813913 VIFYQEQABFIHMV-YOEHRIQHSA-N 438.489 0.019 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1608474081 MPZFLVHVBGTONL-BEFAXECRSA-N 437.570 0.828 30 20 ICED N#CCC1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1620357689 MBWXTYPVXOLJLB-HXUWFJFHSA-N 430.534 0.944 30 20 ICED CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706255975 QCZVMOPNUHAYLA-QZTJIDSGSA-N 431.541 0.600 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)CCO1 1712886469 UIROKNMGLRTCPN-ACJLOTCBSA-N 434.547 0.866 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CCO1 1748210798 KNQGDCFEEAFEOS-APWZRJJASA-N 439.520 0.489 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160733 QCTACAZDMCLABC-PDQMUUICSA-N 438.481 0.188 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382708 PVOAZXVVTFFEAE-LJQANCHMSA-N 437.447 0.672 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779061435 XZFAVGXLEKYLQI-QHCPKHFHSA-N 427.501 0.989 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1779269300 CWXLMBFYSUIMQV-PHNWRZMHSA-N 426.473 0.951 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1781738814 KYXUYBOJEMSIHE-JXHRLWIKSA-N 434.581 0.877 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1782056801 LCWHHURRCFOCDM-LJQANCHMSA-N 436.405 0.035 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2)C(F)(F)F 1783206776 UKSXZVKDVHCMBR-GOSISDBHSA-N 437.378 0.652 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785247012 GGNIUBPQKQEWPJ-DFEOGRTESA-N 430.505 0.153 30 20 ICED Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c1F 1785763026 XNCHRAVVHKVGSX-VCARWTRWSA-N 437.472 0.980 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384861 IVHIHBXLTJBREL-TUUVXOQKSA-N 433.534 0.983 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)[C@H]2C1 1788510253 DSRTUQXZXUDGSU-GTYQWKCWSA-N 433.549 0.816 30 20 ICED 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BZJNXJWEXMTTCE-KHNCNGADSA-N 431.489 0.742 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CCC1 1814051734 YYYHKNZZMPOGHS-CRAIPNDOSA-N 446.471 0.826 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CC1)CC2 1819855643 QGNLMOCQXLGAOY-OCCSQVGLSA-N 434.474 0.854 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820193275 VNJHXBKIMPAHML-XPKDYRNWSA-N 438.550 0.779 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nn[nH]c3C(F)(F)F)sc2C1 1821647748 GOBPVEXJWKDXQU-LURJTMIESA-N 428.352 0.594 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821713803 QLWLOIWRGJTNTL-IUODEOHRSA-N 425.511 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1824495468 WJFPKYSJSPDOGG-WBVHZDCISA-N 427.505 0.847 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829856776 UZZVLYSZLYCPAA-AUSIDOKSSA-N 449.548 0.056 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1830707027 MZPUNUWANXJPKY-OZQHCQBDSA-N 438.521 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831391285 MFSRSEWIWCYWKZ-BTYIYWSLSA-N 435.452 0.338 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1831392413 LJRGBDWWXOUVJD-JLTOFOAXSA-N 440.447 0.466 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(C)[nH]2)CCO3)c1 1831857113 QYBVHIVQBBFVPP-QFIPXVFZSA-N 439.472 0.982 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833401552 REYIOAZECHMAIR-NRFANRHFSA-N 449.529 0.359 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833663139 PACWDBNHNXKSED-AUSIDOKSSA-N 446.548 0.791 30 20 ICED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1834049038 JYQMDNMQUZPCTC-MBIGCVILSA-N 446.504 0.989 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716131 FHRBJRYNFBTCGW-QGZVFWFLSA-N 446.596 0.531 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)CC2)CC1 1835043055 JZIOZWPBDGQZCJ-UHFFFAOYSA-N 442.472 0.126 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1835682871 WYZVMWYNJJCQRU-QFIPXVFZSA-N 444.536 0.181 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835753220 DWWORWKBBAOQKT-UHFFFAOYSA-N 443.548 0.999 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835811753 FFSHTZAIQRFDEI-RFWXGWTQSA-N 431.533 0.776 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837173290 RLJJOPMLXNIZRH-AOMKIAJQSA-N 426.473 0.671 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837294898 QHLCUMXOZPWXRZ-UGKGYDQZSA-N 442.472 0.727 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563358 XCQFEICQLZFQAM-JNVMUYNCSA-N 434.493 0.022 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838531407 HVHDBAYIOLGAPU-DEOSSOPVSA-N 435.480 0.507 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1OC 1838841950 XHXWDYZBXNJESY-DJJJIMSYSA-N 425.507 0.487 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1838907211 FIHBEJNFZKHGSR-OTXOCUIESA-N 438.528 0.968 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1838908379 WXLFMCPPLVGPOM-RXVVDRJESA-N 447.513 0.205 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1839173366 LOSIKSMFTWXKNU-KRWDZBQOSA-N 440.390 0.853 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)ccc1F 1839186600 FAMBDBUFMQOJQW-QFIPXVFZSA-N 439.447 0.800 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205825 PUAAPLUFHYTMOV-YOEHRIQHSA-N 429.311 0.409 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224625 WCIWHUFMHOJKDO-BGJVTSJYSA-N 425.482 0.363 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1839420488 LXYAVZIZMDINCP-QFIPXVFZSA-N 444.463 0.390 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839811495 YULIPGIPEKVVFD-VGOFRKELSA-N 435.521 0.936 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3OC(F)F)C2)C1 1840044849 AQMVJCUWIRJGCC-HXUWFJFHSA-N 438.383 0.446 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840161868 DERXITUFJOHVHE-BDJLRTHQSA-N 436.456 0.827 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840231904 IZAGLBPDYBFBAR-PGRDOPGGSA-N 426.473 0.154 30 20 ICED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819221 WTTKTNDAEISDMQ-JOCHJYFZSA-N 430.505 0.345 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)ccc1F 1840834200 CQHCKLIAOPKJIN-JOCHJYFZSA-N 429.448 0.675 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1847069814 INQGMGVEFSKWHE-MRXNPFEDSA-N 448.520 0.949 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213248 DJTDLUMZCZHSMB-OSMBCOQSSA-N 430.505 0.768 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)C1=O 440257121 OLYOLEVLCSGGRQ-OAHLLOKOSA-N 426.470 0.260 30 20 ICED CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465420991 ZPIRTPOKNASVJV-AWEZNQCLSA-N 442.501 0.818 30 20 ICED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471006752 OITQWNMDDFBYDA-CQSZACIVSA-N 432.502 0.854 30 20 ICED CCCN(C(=O)[C@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCS(=O)(=O)C1 472153133 IRXKCFMVONSRQB-IRXDYDNUSA-N 436.582 0.536 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 491084601 ZRPRXEVYQGACFS-UHFFFAOYSA-N 427.505 0.194 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 509193598 CRELRHDUJIDFSF-KLHDSHLOSA-N 434.588 0.434 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 513264098 UPAKSSCBCBPSPL-UHFFFAOYSA-N 436.396 0.738 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 513977910 BGFKIVPKIFBBLF-PNCHPQGNSA-N 425.533 0.805 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1 513980394 SLGDVOSHLKKKTJ-SZNDQCEHSA-N 449.496 0.911 30 20 ICED COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C 515906058 BJPOTPIQZOWPFH-AOSWFRPUSA-N 426.473 0.827 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 522191823 WHKZBQIYZAHBBD-UHFFFAOYSA-N 449.577 0.813 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 522275598 VBEMYLXUHSGGHA-UHFFFAOYSA-N 427.486 0.092 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 532412044 RFWSEBFBWMUAES-UHFFFAOYSA-N 435.594 0.852 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 532452581 KGYNIRWWEQAQGT-GFCCVEGCSA-N 427.442 0.920 30 20 ICED C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 533065372 IZLSJRWFHYZXLH-DZGCQCFKSA-N 427.548 0.287 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)cn1CCOC 537435313 WHKIYBVTDIBQBY-XOUADPBQSA-N 444.444 0.284 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 541418595 XAXDIXUVPBMHTJ-OAHLLOKOSA-N 438.506 0.451 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 552034693 ICTHIOXJPLKYDN-UHFFFAOYSA-N 434.478 0.295 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 553395271 FLLCEYJTFDHCIU-UHFFFAOYSA-N 426.525 0.169 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 588019929 UKQOXPAHGBHMOM-NVXWUHKLSA-N 446.533 0.388 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2=O)cc1 588866456 YVHDTRCNOOMUEI-IPMKNSEASA-N 426.473 0.576 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)C1=O 589316086 MMKJFVOLWFMWGQ-UHFFFAOYSA-N 427.442 0.874 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)c1 619837111 BQMAUESNRZTJMU-UHFFFAOYSA-N 427.848 0.942 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670204590 NKAJLBLNZIUDBL-UHFFFAOYSA-N 434.526 0.430 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccnn3C)c2=O)c1 726580925 HTIQHRHNXAFIKO-OAHLLOKOSA-N 447.520 0.268 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 732664575 RDTJSQKRJUYYMH-UHFFFAOYSA-N 447.586 0.148 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1 733150515 LMFGOXVBLWSZQM-UHFFFAOYSA-N 448.589 0.969 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746572381 NQLUKSRPEZUNRU-CQSZACIVSA-N 431.470 0.691 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 747737831 KSGADJQQBDNORZ-UHFFFAOYSA-N 437.478 0.032 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356590 DTIVGSJDKRWJCW-UHFFFAOYSA-N 444.513 0.233 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C1 755552320 MZZMOGNFZURNEP-SWLSCSKDSA-N 436.490 0.904 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 758988597 OLCGOKGZEZHJET-UHFFFAOYSA-N 431.456 0.742 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2cccc(I)c2)CC1 760525035 SKUBEYVSVQXTFB-UHFFFAOYSA-N 425.270 0.727 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)c1 762295085 JPBAQLRHOIJQHT-AEFFLSMTSA-N 430.486 0.624 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 780257936 WUFXGWYSNPBENM-KRWDZBQOSA-N 425.470 0.667 30 20 ICED COCCCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCS(=O)(=O)C1 782966860 LEBYPSNQUMEZCR-AWEZNQCLSA-N 427.454 0.719 30 20 ICED CN(C)CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785074393 QGJYPKMBQCMYHR-XLNRJJMWSA-N 439.538 0.132 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785659002 RPPFYSAWZALGNP-INIZCTEOSA-N 446.529 0.965 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc(C(N)=O)nn1 805942312 ZFXKMOYOZXKSMX-CYBMUJFWSA-N 434.478 0.218 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[C@H]1CCCO1 809309923 PSBCWFWNABPQTF-VXGBXAGGSA-N 431.440 0.893 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCC1 814252273 MNZQWTLOEWVEGJ-UHFFFAOYSA-N 437.525 0.938 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821736023 UBPPILRKXQXPFT-UHFFFAOYSA-N 444.469 0.609 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 856708298 IJUOVBTVCWUBCY-XOBRGWDASA-N 447.517 0.767 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1288726876 WQYOVMNJZDTEIY-FOIQADDNSA-N 432.550 0.753 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1305252392 SQEAYRMKJVIZPD-YCRPNKLZSA-N 426.477 0.547 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1316102586 XLLASAMWTVHOEZ-HDMKZQKVSA-N 427.527 0.087 30 20 ICED Cc1c(NC(=O)[C@H](C#N)C(=O)CCN2CCCS2(=O)=O)c(=O)n(-c2ccccc2)n1C 1344560202 ZJWXYNNIROBZPY-MRXNPFEDSA-N 445.501 0.557 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1596832545 WKMZMSZJUNPXEA-GDBMZVCRSA-N 426.543 0.633 30 20 ICED N#Cc1cn(CCC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1624281455 PGPBOYHFJVIZEY-KRWDZBQOSA-N 431.880 0.742 30 20 ICED CCS(=O)(=O)C1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640661140 NIUAPBCLUGVZDQ-HNNXBMFYSA-N 427.548 0.785 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC(=O)N1C 1693833281 MCOJUUVWZJPQBC-MAUKXSAKSA-N 426.477 0.811 30 20 ICED CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1710271178 RNXGWDVHIBHGQP-VQTJNVASSA-N 441.584 0.895 30 20 ICED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1711853382 KFVFURGDCPICOD-GOEBONIOSA-N 449.537 0.801 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1723772283 KIEDSGHTMLZXFI-IVZQSRNASA-N 436.520 0.997 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1746736402 UOUAWIHSIVRIQS-DBXWQHBBSA-N 434.541 0.506 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1747624384 XANHODVVBZDRPT-QGZVFWFLSA-N 431.518 0.982 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1769846059 WNAIEXLCQJHYLJ-HNNXBMFYSA-N 427.527 0.088 30 20 ICED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCS(=O)(=O)CC2CC2)c1 1771532039 NBHLOEIAEOMOHO-UHFFFAOYSA-N 428.518 0.968 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)c1 1780597926 ZYCQWXUJGIRZFV-NRFANRHFSA-N 446.529 0.427 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1781060558 HXCJCNLTJGYVGM-MPWIWIEXSA-N 448.520 0.754 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1782851333 YPBZXNDHYPTBKH-PGRDOPGGSA-N 443.504 0.707 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C(F)(F)F)n1 1783562716 PCKPALDEOQUVMX-SFHVURJKSA-N 436.346 0.504 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783887302 YHBHPZUNSRYTJH-STXHMFSFSA-N 443.566 0.771 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1784482188 GTSTYHGKYUGXAB-QZWWFDLISA-N 432.477 0.330 30 20 ICED C=CCO[C@@H](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 1784501044 DBINGOMFMAWOQQ-CYDGBPFRSA-N 440.390 0.912 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1785596118 LMZMGURWBXMTBP-YHFSLCLQSA-N 446.548 0.814 30 20 ICED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)CC1 1786728992 JUNHFVNHWXSDJZ-AYSOLLAVSA-N 445.564 0.316 30 20 ICED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1787052833 HODQIAHWQHUTTG-GETUGTSYSA-N 435.481 0.429 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787072603 DPCPXOIQJUIAOK-ULQDDVLXSA-N 446.577 0.830 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[S@](=O)CC)[C@H]2C1 1788491881 HRUHPSMWXVMDSL-ZDCJXRPDSA-N 428.551 0.634 30 20 ICED 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CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680917 YCGRKXDWGGNIFW-SGPHBRAGSA-N 431.555 0.374 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)c(Cl)c1 1799749578 YMCDJXAXKIPHES-ZDFLXESQSA-N 433.896 0.008 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884276 PXJDAVBNDHLUSN-NFWAQSGPSA-N 436.472 0.328 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c(C#N)c1 1800032611 NHEMXSKPXOWTPM-ISJRUSPKSA-N 442.516 0.398 30 20 ICED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801444579 PCLBOIQFZWZPDU-FLXSYLCISA-N 444.557 0.218 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c1 1803683510 FVYLZAACDLOGKQ-DVWBAYGPSA-N 428.533 0.852 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806282327 WWKRCJXXYJICSU-SOLBZPMBSA-N 431.493 0.887 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806854858 LJBMNQSOSKRMBB-MISYRCLQSA-N 449.515 0.862 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806920037 BOJBINXDPQCGTB-WIYYLYMNSA-N 440.548 0.992 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807603760 WONXWWMQNGGRNW-YLJYHZDGSA-N 426.477 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807681953 NOEMCNSFUUNQCV-YLJYHZDGSA-N 426.477 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808439942 CYMIGNONWMHBMY-ABSDTBQOSA-N 445.520 0.190 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284368 NKLRXGHZDASFDI-HBMBXEBUSA-N 440.552 0.399 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813573782 IUJXMZQDSUHDHM-IEBWSBKVSA-N 449.577 0.804 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(C)(=O)=O)CC2 1814976507 RKCGPWXQWFFHPU-NSHDSACASA-N 427.552 0.382 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195553 BWVDRDJCSHMNTK-QFBILLFUSA-N 441.532 0.898 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1829782461 VPSNMFVTEHFTHL-KKSFZXQISA-N 425.526 0.498 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830912016 PAGVJEGFWYRWNJ-LXEPCSFTSA-N 425.463 0.976 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1831426925 MGZAQMOXWQSJKE-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832468815 RQVVDVWFIMDWFO-RDPSFJRHSA-N 438.528 0.803 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833496598 PXZKBLQBABISMN-NRFANRHFSA-N 430.461 0.438 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(OC)OC)C3)C2)c(O)n1 1833696221 VYYRVJWCKMAUHP-JOCHJYFZSA-N 449.504 0.595 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnn(C)c3C)CC2)CC1 1834278929 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C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837396600 GROIZUOOPYCMTD-VGOFRKELSA-N 436.553 0.298 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837486894 SOSVXBYCBUZRJG-HSZRJFAPSA-N 433.549 0.237 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837526058 BJVCXLIVOUDVFQ-YIPJSWNASA-N 448.476 0.386 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837753970 ARNGMHSGQHZCCN-NRFANRHFSA-N 431.493 0.545 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838336755 NUGVXPTYERSGAK-QHCPKHFHSA-N 443.500 0.089 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)n1 1838594949 AHVISJJIVGTXCO-HXUWFJFHSA-N 444.879 0.724 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1838621250 IPMDDSBHXZGORH-IRXDYDNUSA-N 445.516 0.474 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCCCC4)C3)C2)c1 1838734784 KHILQCMCPWANFX-QFIPXVFZSA-N 429.521 0.832 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838950092 BBRBSAWTCGSZTI-NRFANRHFSA-N 425.445 0.562 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839224262 QEXBPSXIILGLJW-QRWLVFNGSA-N 435.481 0.356 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487328 BSJDCBMGNXOUPY-JOCHJYFZSA-N 449.471 0.552 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)C(=O)CC4)CCO2)C1 1839527776 QODIAUUZQVPIKL-BXKMTCNYSA-N 440.496 0.924 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc(Cl)n3)C2)C1 1840042318 NJNSXKKEPASHLG-SFHVURJKSA-N 442.255 0.546 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1840044422 XCXXGYZLLIZFKE-QFIPXVFZSA-N 428.441 0.170 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840173013 WITTUDOVCVNQGP-IIBYNOLFSA-N 440.541 0.261 30 20 ICED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1840927194 CPBJWBREPREUOU-HSZRJFAPSA-N 449.596 0.457 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c(O)n1 1844294275 CYTWXHIHGVAUIV-FQEVSTJZSA-N 430.505 0.373 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@](C)(O)CN2C(=O)OC(C)(C)C)C1 1846229658 PIUZJTHXGITAGM-HYFFOGBASA-N 449.548 0.989 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 409527927 IRTVWRXCLYCPHH-UHFFFAOYSA-N 430.552 0.241 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1=O 440254698 JRLAENFOWOWWMQ-HNNXBMFYSA-N 427.440 0.863 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1=O 440260765 ZVSKDURZPDSRLS-IBGZPJMESA-N 441.532 0.187 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)CC1 441667069 PXVPQGKNDKNFGG-RTBURBONSA-N 432.546 0.750 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1F 442369067 JMGZSIDTYGURHY-UHFFFAOYSA-N 427.439 0.201 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 460611572 VMIJWFYFGWWLEL-GOSISDBHSA-N 437.504 0.957 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cn1 460732109 ZUBXSUDMLLFJGC-PYTWLRIVSA-N 445.439 0.001 30 20 ICED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 464424799 HUJOLDKQQAFILN-UHFFFAOYSA-N 439.515 0.970 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 464853140 DNKMFQGDWDVFME-HNNXBMFYSA-N 443.533 0.748 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 465157224 OAPXFYLCEFRRHA-GFCCVEGCSA-N 435.448 0.036 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCOC3)c2=O)n1 479362374 RGNYOJDYIRZKDK-HUUCEWRRSA-N 441.509 0.459 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 481586679 MQLIGIXUXGQHRD-LLVKDONJSA-N 449.279 0.803 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 482559700 PAYMUJNOTAYZLR-UHFFFAOYSA-N 428.539 0.861 30 20 ICED N#Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]c1C1CC1 485994743 UCEYBJZUGLFHRB-UHFFFAOYSA-N 437.503 0.980 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 507829922 ZAKWZIIVZPOFQW-DYESRHJHSA-N 443.552 0.244 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532362646 IXKDUSZOTNWJLX-UHFFFAOYSA-N 449.536 0.867 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3Cc4ccccc4O3)CC2)cc1 532642453 IAGVSQIIGVOMBJ-LJQANCHMSA-N 440.525 0.984 30 20 ICED COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCCO 534626872 PARVNNZGQJOVKJ-AWEZNQCLSA-N 433.486 0.921 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 541877675 VNPZINACSDCJKR-ZIAGYGMSSA-N 443.512 0.792 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1=O 552350105 SKRBYUWWURGCQY-GOSISDBHSA-N 441.536 0.446 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 553598797 ISOHDUXAUPVXIC-UHFFFAOYSA-N 428.537 0.607 30 20 ICED CNS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 558399153 AZSILJYROZPARA-UHFFFAOYSA-N 434.522 0.638 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 561006149 XLKJXRJZFZAOKR-QZTJIDSGSA-N 426.521 0.801 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 563919733 CNDULQAFTGKNMY-CYBMUJFWSA-N 436.515 0.622 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 573044048 JFAMVONXPGCGKO-GOSISDBHSA-N 439.520 0.318 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581688971 WZVZNTHNIKPDFB-BNAFRMMHSA-N 444.557 0.971 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 588108469 YZXRIBWQHAUBSI-HNNXBMFYSA-N 443.460 0.624 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2-c2ccccc2Br)c1=O 589890410 GONJDTTTWOBYHK-UHFFFAOYSA-N 446.265 0.330 30 20 ICED CC1CCN(C[C@H](O)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609710333 AKJYYTUUSBAUBH-MOPGFXCFSA-N 427.505 0.972 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611380502 BMQHARQCZQPDCK-UHFFFAOYSA-N 440.464 0.576 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)C 616404637 DQATXGFTDHSYDU-QGZVFWFLSA-N 442.520 0.386 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNc2ccc(C#N)cn2)C1 728208410 IPEKXSUWHZOQHV-MRXNPFEDSA-N 431.522 0.922 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 728772523 YYUMFXNUNIUBQA-CYBMUJFWSA-N 446.407 0.509 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 731863455 WQVYFZCSESEAKL-OGLOHFSISA-N 441.444 0.105 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 731863457 WQVYFZCSESEAKL-RURFIKTLSA-N 441.444 0.105 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 733148949 QOSGPDIBMXLSKT-UHFFFAOYSA-N 427.530 0.610 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CCC(N)=O)n1 735476430 DRXMCCVHOOWUKO-CQSZACIVSA-N 432.506 0.850 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c1cc(Cl)ccc1F)[C@@H](C)O 744852280 VXJMDVBSSXMKCU-ISTVAULSSA-N 429.832 0.902 30 20 ICED C[C@@H](OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)N(C)CCC#N 744878887 AXOFZPIVJIOHLC-GFCCVEGCSA-N 429.520 0.811 30 20 ICED C[C@H](CC(=O)OCCN1C(=O)NC2(CCCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497877 XDQDRJYYZFNGTK-CYBMUJFWSA-N 448.501 0.912 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(CCOC)c1=O 748786551 SAXFZIDDXROIHF-UHFFFAOYSA-N 432.458 0.112 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCc2cc(C#N)ccc2Br)n(C)c1=O 755511009 OUPCXICQUPGXMN-UHFFFAOYSA-N 432.234 0.811 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H](C#N)C1 755538598 SPQCEBMQUGRTKZ-IAQYHMDHSA-N 444.427 0.615 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 758058535 MINICABUDILXIU-IBGZPJMESA-N 449.532 0.906 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)N(CC#N)c1ccccc1 762942695 MSLDQMSMFPXSSZ-CQSZACIVSA-N 444.469 0.552 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(Cc3ccccn3)CC2)n1 787142546 AVLOQGVEOBSNHU-UHFFFAOYSA-N 438.532 0.667 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797033575 BWHBGTGNWQXAOM-UHFFFAOYSA-N 433.440 0.795 30 20 ICED CCOCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 799558219 DYYQEZKVGMNBJL-UHFFFAOYSA-N 435.502 0.751 30 20 ICED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 805062863 SHHZPDPDNPHMRE-UHFFFAOYSA-N 436.557 0.102 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 807899816 QMBHVDUMZAMVSU-HNNXBMFYSA-N 439.559 0.532 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1=O 914459814 OJXDEYWBPFROJF-NRFANRHFSA-N 444.492 0.948 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 915473426 VTIVMFFKHBTFCK-LIRRHRJNSA-N 425.507 0.899 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286969772 RLPSSTLNTRBKSV-LIVBEALHSA-N 447.517 0.936 30 20 ICED CO[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1315271062 LGJSGPNEGLGUPF-OXQOHEQNSA-N 447.517 0.883 30 20 ICED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318975287 RHSJBKRBGHTNED-XUTLUUPISA-N 433.553 0.846 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)sc2nc3n(c(=O)c12)CCC3 1356016775 ILPDJKRMBOYFOT-NSHDSACASA-N 434.499 0.292 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359473827 IUFGTCGDHWKQOF-WBVHZDCISA-N 433.538 0.845 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1471539057 UWDRGFITXAXJQC-FQEVSTJZSA-N 434.562 0.386 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1499329852 TYIBRVZHLXUUJD-AVRDEDQJSA-N 439.520 0.510 30 20 ICED CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCS1(=O)=O 1513310386 URCSPZSSGXEGPF-AWEZNQCLSA-N 425.559 0.828 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CCO1 1620355899 OPXIPRPVYVTMLS-BBRMVZONSA-N 427.440 0.527 30 20 ICED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1 1722796667 NWJGEYJERPWEJJ-UHFFFAOYSA-N 428.541 0.305 30 20 ICED CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N1CCOCC1 1723331637 TYERIWSTVGFQKT-UHFFFAOYSA-N 438.536 0.929 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1760696642 SCPWIGUDBRMKCT-DRMAHVMPSA-N 440.570 0.758 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)n1 1778843337 BNNDRHUNOSNWNS-NRFANRHFSA-N 442.907 0.855 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1778974305 YBQHIJKESVXHOG-HTAPYJJXSA-N 445.520 0.033 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779416815 ZPGFDFZIMQBBRM-DAVBRLECSA-N 435.565 0.919 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1779522106 RYYKQBHKPJZPOH-JOCHJYFZSA-N 435.440 0.733 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779556594 OPBBZKUMHNLVSA-QTQZEZTPSA-N 440.541 0.452 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1780112257 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0.617 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970267 GEDKPYMVPWDCMM-PTJKWTKHSA-N 447.488 0.991 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839222219 HGVCHGTUKNRKPO-XMSQKQJNSA-N 438.569 0.976 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1839228558 HVGPHLPSPRTFRU-GHTZIAJQSA-N 435.525 0.921 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839240547 HHXWIDVNMPSZJD-GCJKJVERSA-N 434.537 0.599 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)c1 1839451275 JXEAGKHPHIWLCV-JOCHJYFZSA-N 439.472 0.871 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)c1 1839451971 ZZWNBWYUKVNIMR-HSZRJFAPSA-N 442.516 0.269 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1840040130 PDGNURDHJUFDTK-ABHNRTSZSA-N 430.379 0.263 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840293358 WBGGNZMUHWYCDI-JOCHJYFZSA-N 446.504 0.962 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381280 SLKCXGCZDCRDDV-KSSFIOAISA-N 440.526 0.154 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1840717174 LHFNTWFWSBVOIY-QVKFZJNVSA-N 429.477 0.052 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)O)C3)C2)cc1C#N 1840763732 OUUWPZWJEAFQBA-OPAMFIHVSA-N 431.489 0.796 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840845079 FSTTWSKJPQXLLO-NRFANRHFSA-N 435.521 0.914 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1846560935 TYHHRTTWYHFBLY-LJQANCHMSA-N 441.532 0.359 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 16559309 OJCZBAILCWFHGB-GFCCVEGCSA-N 442.453 0.952 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@@H]1CCOC1 441966969 QZZZOAOJVGWAJP-HNNXBMFYSA-N 445.516 0.660 30 20 ICED Cc1ccc(NC(=O)[C@@H](C)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N1CCOCC1 444418415 UQJIAFINKRZZQY-MRXNPFEDSA-N 446.533 1.565 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 444501407 IDKFGSPGUYMXGR-UHFFFAOYSA-N 433.472 1.130 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)n1 444508193 RVFVCFIQWVGEIO-ZDUSSCGKSA-N 425.367 1.310 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2 469496639 XIMGWFZRSJACPF-UHFFFAOYSA-N 439.476 0.156 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 469519880 AKHZUGFZBSJVSY-QGZVFWFLSA-N 431.518 0.790 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1N1CCOCC1 480113002 KVYHWZGZEUDWJA-OAHLLOKOSA-N 429.502 0.773 30 20 ICED COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)n2C 489822767 DYWSCZCVESLVCH-UHFFFAOYSA-N 433.472 0.814 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)cc1 494456399 XMXDXSHTKDREIF-GOSISDBHSA-N 426.477 0.677 30 20 ICED N#Cc1cccc(C2(NC(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)c1 497853190 MZWYLNJZIHXMGU-UHFFFAOYSA-N 433.534 0.888 30 20 ICED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502268332 GGJJKNDOCSSPNX-YOEHRIQHSA-N 443.460 0.765 30 20 ICED C=CCn1nnnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 505837969 KKDUDPZVYPXLAL-ZDUSSCGKSA-N 438.535 0.999 30 20 ICED C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 508798533 UNMGZFLAMQFPMZ-FQEVSTJZSA-N 439.564 0.780 30 20 ICED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508849241 QAHGUSLTTSVGES-UHFFFAOYSA-N 433.476 0.469 30 20 ICED CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510172494 LCTUYDNTGMETMO-RHSMWYFYSA-N 442.563 0.355 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 512794369 APRIFFKZVSVYFR-UHFFFAOYSA-N 427.446 0.338 30 20 ICED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@@]12C(=O)Nc1ccccc12 514017117 DSCGNPOXFGOKRT-ORAYPTAESA-N 444.473 0.149 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 520241594 BTYYMJCKOOZPNJ-LJQANCHMSA-N 428.537 0.465 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CC(N)=O)c1=O 526038049 JOBKUWBIKFOKJC-UHFFFAOYSA-N 439.472 0.698 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 526038126 HKJOGXGSXNCISM-INIZCTEOSA-N 441.509 0.040 30 20 ICED Cn1cc(C#N)c(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 534243096 QQMUMCRLERUNPX-HNNXBMFYSA-N 436.472 0.788 30 20 ICED C=CCOc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1OC 537616580 FZDRZWJKNGUDHO-SFHVURJKSA-N 437.562 0.681 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 552628800 UPGHVFFTMJKKGZ-CYBMUJFWSA-N 443.469 0.703 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2=O)cc1 558054031 SCYOZOKSUDAMGO-HXUWFJFHSA-N 439.516 0.493 30 20 ICED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 568780876 DPVYBOCHKVQXPY-UHFFFAOYSA-N 428.518 0.856 30 20 ICED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 578547588 VGSDZLZZUSOXKU-GOSISDBHSA-N 435.488 0.684 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)CC2)c1C#N 583407334 YDHXXEHKXYFTBZ-MRXNPFEDSA-N 446.577 0.810 30 20 ICED CC[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 588123571 BHRHNLOQRPKTED-SFTDATJTSA-N 427.549 0.886 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 610244874 KSFFQSAVYZNVNA-UHFFFAOYSA-N 426.498 0.466 30 20 ICED N#Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 611626459 HXHDTBLFTBGNGS-RDJZCZTQSA-N 430.442 0.907 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OCCOC)CCN2C1=O 612244225 ZWLIOQQXNSVKJF-HNNXBMFYSA-N 429.433 0.017 30 20 ICED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 616128685 MXFMYCLCPXIXFH-KDOFPFPSSA-N 430.486 0.911 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 674482752 YCTYQPZZKWTLEW-ASSNKEHSSA-N 442.476 0.769 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 728466774 RAYPSKRKYJHZKF-XBYUIDQRSA-N 449.533 0.565 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 732154167 PEOONNXYRAMMGV-ZZEZOPTASA-N 441.469 0.561 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732561882 APEWEBAXHRAHDQ-MRXNPFEDSA-N 426.498 0.706 30 20 ICED Cc1nc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 732767063 SJYQRUYNIDMFKA-UHFFFAOYSA-N 432.506 0.541 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 733277482 GDYMVLLBOHBLEQ-CYBMUJFWSA-N 428.536 0.046 30 20 ICED CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 733671945 ZYICYAHYNXKUBQ-VGLIXDPASA-N 435.550 0.848 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n(C)c2n(C)c1=O 756882208 FNUJOXWEGRYJPY-AAEUAGOBSA-N 430.465 0.065 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757896708 HCEYDAQQSKICLT-CYBMUJFWSA-N 444.535 0.728 30 20 ICED CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 767081491 PTJXNKFJHVFVQG-NXVVXOECSA-N 428.511 0.832 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 767840433 JUTJHNFDTKTHGV-RBZFPXEDSA-N 441.469 0.723 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767888856 UQAFUAJFHOBYPD-UHFFFAOYSA-N 431.499 0.058 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1)c1cc[nH]n1 772269289 ZGFYHUMANUULCC-OAHLLOKOSA-N 429.481 0.831 30 20 ICED Cc1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1-c1ccccc1F 772481768 VPERAKYKNZCIJP-ZCXUNETKSA-N 426.408 0.901 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cc[nH]n1 772642202 UWJIPJDYZKCBPU-KRWDZBQOSA-N 427.461 0.953 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CCCC#N)CC2)cc1 776118345 HRBVKCIDTLSOPL-UHFFFAOYSA-N 429.520 0.846 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 784848833 BPYJKDRYWJOCGL-INIZCTEOSA-N 448.545 0.774 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790427416 CWHJYFGXEDOZCS-GFCCVEGCSA-N 429.527 0.348 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccsc1 790434683 SEXJLGSXNDKCAG-UHFFFAOYSA-N 441.538 0.609 30 20 ICED Cc1nc2sccn2c(=O)c1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 803230917 DCTQBMRCMYHGFX-UHFFFAOYSA-N 432.483 0.889 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc(Br)cn1 803574375 XOHTZIBFEDATQA-UHFFFAOYSA-N 426.296 0.891 30 20 ICED CS(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 805329606 QPRKKSLHWNRYOD-UHFFFAOYSA-N 438.483 0.862 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805383315 WCHPQLUSKLOXOX-UHFFFAOYSA-N 437.562 0.835 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2ccnc(N)n2)C1 810770188 IMKPIEVAEKWGHN-HIFRSBDPSA-N 430.490 0.809 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 811042961 SKTNVXJLIGEZGQ-ZBFHGGJFSA-N 433.490 0.712 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 813984462 RSZKSHNVUPUZLU-UHFFFAOYSA-N 434.499 0.859 30 20 ICED Cn1cc(S(=O)(=O)NN=C2COc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 814883171 CSBJIAHBONHPSV-UHFFFAOYSA-N 447.242 0.061 30 20 ICED CN1CCN(c2cc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccn2)CC1 916689292 YQKOCYYAERWMBD-UHFFFAOYSA-N 442.545 0.578 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1251843056 NUVUZXUYKRSYHV-IAGOWNOFSA-N 430.486 0.941 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1302481020 WVJRXPHEUQAIQE-HZPDHXFCSA-N 435.554 0.783 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1320664281 HZHBZEGGXMINRM-UHFFFAOYSA-N 431.541 0.802 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1321819099 RBADSAWFMBEZQZ-HZPDHXFCSA-N 433.490 0.303 30 20 ICED N#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 1321942403 YKTMMZVTLKSIFO-INIZCTEOSA-N 442.519 0.255 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CCO1 1503772738 NNTDXHNWLRJZGI-QGZVFWFLSA-N 439.520 0.930 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539803775 NJYPVRXEHAPZMR-CXAGYDPISA-N 446.961 0.326 30 20 ICED NC(=O)COc1cccc2c1CCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1569370950 GUVWEUYSLLTTHF-UHFFFAOYSA-N 442.497 0.959 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1619912796 MLDVXDXDMARUGO-CRAIPNDOSA-N 427.527 0.436 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1698494722 YMFYMFIQGRJVLZ-DOTOQJQBSA-N 444.517 0.822 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1706055688 VAMGPAUOBLBOBY-SFHVURJKSA-N 441.492 0.158 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCNS(=O)(=O)c1ccccc1 1722862339 VSJHUASGFZUOTR-OAHLLOKOSA-N 433.538 0.991 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1771532724 LBCSEMOHWOUHLJ-INIZCTEOSA-N 431.447 0.719 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823520 MBDQGAWBNZSAKR-IIBYNOLFSA-N 441.492 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)NCC(C)C)C1 1778111872 HSFMALCFDSQVGA-GUEKAFECSA-N 434.537 0.131 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1778261754 JKDHDFRLTRCLBJ-QFIPXVFZSA-N 445.951 0.903 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779100877 FSDPEFTWVNGYLM-ILBGQUFFSA-N 438.481 0.188 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779362370 GHFHNRHXUYHJJP-BOVFSGPISA-N 446.508 0.487 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1780230709 DFXMDNZYPLKBDN-RXPVHBRLSA-N 445.476 0.909 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1F 1781417302 RPAUOPNGOPZBJD-YADHBBJMSA-N 445.447 0.095 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CC(C(=O)OC)(C2)C3)C1 1781956908 KGRKUXFTWZZSLV-XYIZVHGESA-N 432.517 0.882 30 20 ICED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)C#N)C3)c(=O)nc1O 1783112370 HKAJDJOTUWAGTR-QVKFZJNVSA-N 431.493 0.321 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1783207482 LQYKLDLCDWSFAG-RHSMWYFYSA-N 436.383 0.430 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 1783535728 SFXPRCMQTSPIIU-BRXVOJRQSA-N 445.491 0.770 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376191 LPDLOKWOKAYSEW-NRFANRHFSA-N 447.513 0.673 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378423 BTUUTXSUGIFCRB-AOMKIAJQSA-N 428.489 0.634 30 20 ICED O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787015256 FZJYAHJUMCPGJM-UFYCRDLUSA-N 441.528 0.527 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638094 QRNQWLZOVWEDJA-CTXVOCDESA-N 440.493 0.052 30 20 ICED CC(C)(C)OC(=O)C(C)(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789686974 RHKZUGYEZDBRJN-JYJNAYRXSA-N 436.505 0.812 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1792173785 JWBSBIRATYUBQM-MHORFTMASA-N 437.537 0.655 30 20 ICED CC(C)(C)OC(=O)N1CCC=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1793875325 QUGATWCXJPCGEX-HGKCTWBKSA-N 447.488 0.231 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c2c1CCC2 1797045661 CLEITKGHRIEMGM-JLVBRIDZSA-N 428.537 0.394 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)cc1 1797164959 KNCAFWPAUKLDOI-HATOLVCRSA-N 440.500 0.923 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)cc1 1798097314 QVKBKZCAUGKNKH-UPHUGPLXSA-N 449.467 0.882 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn(-c4ccccc4)n2)C3)c1 1798693523 JHXGTCUFBJCGSX-HGKCTWBKSA-N 431.456 0.984 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1799304481 WXVIONIXXGPAMF-JLVBRIDZSA-N 433.509 0.746 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H](O)CN2)N(C(=O)OC(C)(C)C)C1 1799923141 PDLRAJMBSOCSQK-QSMSVPEVSA-N 448.564 0.913 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1800991522 JNOUDJOTKKJCFQ-OPMZPASUSA-N 426.517 0.925 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801966833 JYEMSLDKJZMUEF-ALXJQNPVSA-N 432.521 0.839 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979553 VZQCVXSFUHBLMB-FZKCQIBNSA-N 436.509 0.155 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808210044 GHQVDWLTGYXGKJ-URLQWDBASA-N 427.486 0.202 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810333400 KTHFWDXLCKDPIW-AQCRLBJHSA-N 440.544 0.509 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811540273 DBPKHPHNKZRIRZ-YZGWKJHDSA-N 438.488 0.752 30 20 ICED CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)CC1 1818911961 LYAJCWCBXNWIIJ-SFHVURJKSA-N 444.584 0.931 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452425 NRVATCRXNDQKMM-HUVBRDCKSA-N 449.512 0.524 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830462766 MKLPZPFEXHCMMW-HSZRJFAPSA-N 442.516 0.473 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468114 DHMDLWZFQMTHKL-OAQYLSRUSA-N 443.891 0.888 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c[nH]c1C 1830942017 FHJLMLMSMGGNSV-QFIPXVFZSA-N 446.504 0.803 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1831414128 RLHFNYNYRHKCOT-NHCUHLMSSA-N 442.509 0.041 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831424162 DOCKUZVBRPGSLO-ZHRMCQFGSA-N 443.544 0.748 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831428006 XDCCSWHQMVAASV-HRAATJIYSA-N 429.477 0.390 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419679 NUJOSHTYINIAAK-FPOVZHCZSA-N 441.594 0.800 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1832455898 ATJHFWIYUXHLED-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015702 VMONPAOPSYNCPQ-QRWLVFNGSA-N 436.534 0.274 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833199569 UIBCBLUWVCJWPV-SPEDKVCISA-N 434.537 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1 1833468814 XDIUTVHTFBMCCQ-KRWDZBQOSA-N 443.548 0.889 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833907173 HRZIIJQZKPECSR-WAYWQWQTSA-N 441.532 0.364 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1F 1835096581 DANCDRAUXLNQNS-QHCPKHFHSA-N 440.475 0.989 30 20 ICED COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835672685 HNEBYASERSSRLW-JOCHJYFZSA-N 445.520 0.442 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccnc1 1835675500 SMZUNLDPHRZGRW-UTKZUKDTSA-N 432.525 0.182 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)o1 1836019889 ZDZQDUBOXBRJLZ-JOCHJYFZSA-N 439.472 0.491 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837375150 HVPZETQKRNPWHS-KXBFYZLASA-N 428.555 0.070 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837403995 YHTNQGPFRFDIRB-PGRDOPGGSA-N 434.489 0.741 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837447132 UZWWBQXOCCRPNO-GYKAXZBASA-N 434.537 0.482 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837524428 HTDGWNFAYLBTLG-WNKTYHFFSA-N 433.465 0.076 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561621 YIQWQKLFGMNDPN-UYYUJSNXSA-N 433.440 0.639 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)cc1 1837964744 RUROPCUIQSGCHW-QHCPKHFHSA-N 439.468 0.956 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838337809 FIRLNSWLHXOQKP-HSZRJFAPSA-N 436.468 0.770 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838733235 USHGXNUEYMFBGG-YVHKJVDXSA-N 444.488 0.546 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838737553 YXJOHTLBTBVOSR-OAQYLSRUSA-N 425.445 0.674 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1838830553 DMROORSEHSGYGJ-OAQYLSRUSA-N 440.460 0.459 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1839175734 BEOCWZKUPYZAGS-AVRDEDQJSA-N 438.521 0.769 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839225909 YNVUUFCTYGSBKP-UZLBHIALSA-N 436.513 0.730 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421985 WIGNPBCXYQYQNG-SPLOXXLWSA-N 432.452 0.292 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839642672 XDELTDKAQLPXLN-HXOBKFHXSA-N 444.532 0.977 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1840042738 MHKQDDSXYUDZLD-OAQYLSRUSA-N 445.859 0.979 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840254948 QGONNNJZRWWHTE-KKSFZXQISA-N 438.546 0.987 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CCO1 410388850 SOVKUTZFOGGNKY-KBPBESRZSA-N 434.396 0.527 30 20 ICED Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 430065185 KJCTWSLADYMBHC-OAHLLOKOSA-N 431.460 0.913 30 20 ICED CN(C)c1ncc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 435558238 MAYGLLMXBLTMAO-UHFFFAOYSA-N 431.522 0.574 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 440287563 AFFXTTCCHBWSAX-HNNXBMFYSA-N 429.458 0.882 30 20 ICED Cn1ccnc(N2CCC[C@H](NC(=O)N3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)C2)c1=O 440347646 WOFABZHGCIALCF-PBPSECFOSA-N 447.499 0.804 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C3CCOCC3)n2)c(F)c1 442141178 SZYFXCLIOOVBLF-HNNXBMFYSA-N 428.424 0.608 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(C)s2)CC1 446735492 OZYDJTAPUNRAIT-UHFFFAOYSA-N 430.534 0.686 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 460595786 GMKOPSJMXURWCC-MRXNPFEDSA-N 437.504 1.098 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2cscn2)CC1 460604000 XPLXEKLTPPXWPD-UHFFFAOYSA-N 436.501 1.187 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(N3CC[C@@H](NC(=O)NC)C3)cc(C#N)c2[N+](=O)[O-])C1 466465544 MTIWPKKBCAHONE-KGLIPLIRSA-N 430.469 0.482 30 20 ICED C=CC[C@H](CC)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 467685326 KKPVWGWFMLVBPS-DZGCQCFKSA-N 425.507 0.841 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1 468941705 MPLSRPRZRPAAJP-UHFFFAOYSA-N 445.505 0.365 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)N(C)Cc1nnc2n1CCC2 472971652 UXUOPVGJELUALC-HXUWFJFHSA-N 449.515 0.784 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480220667 RHFHGSNDNOWBBT-HNNXBMFYSA-N 428.470 0.636 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 480611391 KMKVCVCMRKIJCX-MRXNPFEDSA-N 434.971 0.791 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n(C)n1 487492337 PBXDFYJHRBJSPM-ZWKOTPCHSA-N 435.488 0.806 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)nn1 487515371 KMWXMXKVTCOZME-IAGOWNOFSA-N 437.460 0.694 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(CC(C)C)c2=O)o1 488053298 FWYZQMATKDJIQX-UHFFFAOYSA-N 449.554 0.227 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488607895 GOWPZVCSVPDHLP-GOSISDBHSA-N 440.481 0.818 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 488652650 YPFYWDKYYVSAPK-QGZVFWFLSA-N 447.451 0.769 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 507501145 MEXRFYXLRFEVSK-RYUDHWBXSA-N 444.560 0.658 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](C)S1(=O)=O 509776338 VQSKRHRBSRSUIU-XJKSGUPXSA-N 430.490 0.561 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 511411765 CGASMCQSPMYFIO-UHFFFAOYSA-N 446.526 0.363 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 523476405 MTDWDCKVPMZAMI-ZBFHGGJFSA-N 445.541 0.928 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 524282946 UPJYMQZURVAADM-UHFFFAOYSA-N 439.324 0.731 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 531802540 ZYKIZNYZIZDSST-HNNXBMFYSA-N 431.460 0.664 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCCO2)c1=O 533883404 VMXRCWQBIOZWAX-MRXNPFEDSA-N 429.546 0.723 30 20 ICED CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 543239829 NIDXVZUGMUPJLF-UHFFFAOYSA-N 445.505 0.376 30 20 ICED N#CCC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 543811569 SRFLNCBSOHWAEW-UHFFFAOYSA-N 448.545 0.916 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(N)=O)C3)n2C[C@H]2CCCCO2)cc1 550050830 VOJWYRUZQYLVQY-MSOLQXFVSA-N 426.477 0.988 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 577139203 LRNCUDPTTAOSOE-QUCCMNQESA-N 449.502 0.273 30 20 ICED N#Cc1cncn(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1=O 589258280 BRCGNXLUBXTGIB-UHFFFAOYSA-N 427.486 0.879 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(O)cc1 589390952 TWTVRGJAGQZTIS-MRXNPFEDSA-N 431.470 0.690 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)cc1 589400661 PMVYNUCPMBZJNR-HNNXBMFYSA-N 434.905 0.950 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911652 NZFFECSHISLGSI-UHFFFAOYSA-N 438.431 0.443 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 609450348 GVJAETBNIKCTBB-UHFFFAOYSA-N 444.532 0.329 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 678754763 MICKHYCQNBCFPQ-KRWDZBQOSA-N 431.537 0.136 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCOC)C1=O 726403561 LBJIDUAJTMRTJU-LVHCJKAXSA-N 428.536 0.307 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NCc1ccccc1 729540135 QSZXXUXVSBGXCH-CQSZACIVSA-N 444.469 0.794 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732909360 AFLLBFQZQCOWTC-YPMHNXCESA-N 425.413 0.284 30 20 ICED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 733160955 IMFBUOIIBBSLCI-UHFFFAOYSA-N 435.546 0.882 30 20 ICED NS(=O)(=O)c1ccc2c(c1)N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 736101451 VMVGRTVRVRDSTA-UHFFFAOYSA-N 434.499 0.352 30 20 ICED Cc1noc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 737269130 OVECYOOGTPSYCB-HAHDFKILSA-N 434.478 0.488 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1 741914713 JVKXCFGGKLHHSL-UHFFFAOYSA-N 441.509 0.923 30 20 ICED Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCN(C)CC2)c1=O 743726213 ITGLRFVZZWZIHR-UHFFFAOYSA-N 431.587 0.969 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC[C@@H]2CCOC2)CC1 751709660 NZPBPFIGASXOAD-MRXNPFEDSA-N 435.502 0.751 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 754437053 HDKPLGAEISUJQS-QGZVFWFLSA-N 425.470 0.273 30 20 ICED C#CCNC(=O)CN1CCN(Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 766873847 ZKWPVPDWNUPQPK-UHFFFAOYSA-N 425.415 0.409 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O 767675908 LVSYEQUIRFFAPY-BBRMVZONSA-N 431.474 0.697 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C=C)c2)c1=O 772309923 BTOJKMJLFBCQRX-UHFFFAOYSA-N 425.514 0.274 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@H]3CCCCO3)c2=O)cn1 772332534 SXVLLFHLUWHCPK-MRXNPFEDSA-N 427.530 0.805 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@@H]1CCCO1 773793611 KLRDYFOHWLVTOW-CVEARBPZSA-N 435.502 0.715 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 779623600 DWBKXPQOLVFMDD-HXUWFJFHSA-N 430.574 0.621 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCC1 784244671 PPQFMAANFLISEH-HIFRSBDPSA-N 425.438 0.055 30 20 ICED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCN1C 785296565 NUSDMAYJXOXGKL-ZBPLQYIKSA-N 435.550 0.989 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)n(C)c1=O 786545507 CPMRHVWJIJGSJE-CQSZACIVSA-N 442.863 0.502 30 20 ICED O=C(NO)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 791277697 VVJCQKYEUSUOQG-UHFFFAOYSA-N 437.449 0.896 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 794540828 LDUWSYGXFNENII-DOTOQJQBSA-N 435.502 0.200 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@@H](Oc3ccc(C#N)cn3)C1)C2=O 794831705 HYSXINYELYEZKR-JERHATOGSA-N 426.477 0.938 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2c(C)cnn2C)c1=O 795197578 NHWYJEWBMUIMRG-UHFFFAOYSA-N 432.461 0.700 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)c1cc[nH]n1 796873837 MRXQFJPNIXYGPO-UHFFFAOYSA-N 425.492 0.514 30 20 ICED C#CC[C@]1(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 809608433 RUFKGCMNLJQIMQ-MGPUTAFESA-N 441.550 0.541 30 20 ICED N#Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 916159742 UCLVOCXBDPVOCD-UHFFFAOYSA-N 429.502 0.600 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NCc1ccccc1 916886470 INJQGGJUBCILJI-KRWDZBQOSA-N 430.486 0.685 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)c1 918584970 RKMFDSCLPNIHOL-UHFFFAOYSA-N 443.481 0.682 30 20 ICED N#Cc1ccc(N2C[C@H](c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)CC2=O)cc1 1255961672 ZJUXPMYHMXZBCL-CQSZACIVSA-N 429.458 0.261 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1303850770 YVYHKSLTLRWLHF-JJRVBVJISA-N 444.583 0.453 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1314086830 UNKURDOWQFYIHR-YJBOKZPZSA-N 426.543 0.562 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1315937280 VHLJFXKTJPCJQD-YLJYHZDGSA-N 447.517 0.218 30 20 ICED CS(=O)(=O)[C@H]1CSCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319071262 OGEWIRLKCAERLY-HOCLYGCPSA-N 436.515 0.709 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3nccc(Oc4cccc(C#N)c4)n3)CC2)CC1 1472654813 MRQVBCWSJXHXQP-UHFFFAOYSA-N 443.533 0.755 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(=O)NCC2CC2)cc1 1521102230 RNZAKZMXNVOBDP-KRWDZBQOSA-N 437.504 0.957 30 20 ICED C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593866660 ZNLALHCXCAEUFO-UHFFFAOYSA-N 431.888 0.492 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1 1628652835 VFKMVFMRGVVTOE-IBGZPJMESA-N 426.498 0.796 30 20 ICED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1691368209 PNYXAFWXWNTNRB-OAHLLOKOSA-N 426.543 0.512 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)CC1 1692849429 YXXHMGGTQHEATD-UHFFFAOYSA-N 429.525 0.813 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1697023389 ILKBHLZBNGGZHV-UHFFFAOYSA-N 446.533 0.752 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750077730 WTDVYHYLEKJRMC-RKVPGOIHSA-N 428.559 0.614 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1752312043 IXNNIWUDMFEJKS-HNNXBMFYSA-N 431.518 0.982 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1767822776 IPPUHHFORBEMAU-QGZVFWFLSA-N 438.536 0.999 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1771356560 NOAJGTFRRJFTSY-UHFFFAOYSA-N 428.518 0.968 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055397 IFJYHYGMGAFQHF-QFIPXVFZSA-N 434.456 0.428 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/O[C@@H]5CCCCO5)C4)C3)(C1)C2 1779105846 NWKOCOPBPDMINM-WKXZVRHJSA-N 449.504 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779332551 UMJNBFBPPWKOCE-HZQHCPKGSA-N 429.502 0.926 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)C(=O)O 1779362395 HYVPLRPTAUQPAU-PTOHSFHKSA-N 437.541 0.035 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779433986 WVOFQGCUHURXHF-AQOAWAETSA-N 448.520 0.818 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442862 MXUSPHXCXSVMOB-XRWLCIBQSA-N 430.505 0.903 30 20 ICED COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1OC 1780251313 GNEHQNDMLSNKJQ-QVKFZJNVSA-N 431.445 0.314 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1781269572 ZZIJHIMKLWSJHX-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194751 HLCCJTAYMGYOGP-IVZQSRNASA-N 448.487 0.806 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046729 USCITSGYOHKFEH-YSOJOAIGSA-N 441.550 0.111 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783133936 NZWLRPHASIVFDP-AYPBNUJASA-N 442.516 0.976 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)(C1)C2 1783444660 VUEARAGBHUKPOK-LZBANZJXSA-N 432.521 0.441 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1784740855 OLDAXKXRLHJKOE-OAQYLSRUSA-N 433.530 0.755 30 20 ICED C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785440562 OWGRKLKWQPHQKH-OWROOQFPSA-N 430.553 0.971 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787250722 WEBJZJPBSDSOBT-WDSOQIARSA-N 433.530 0.633 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789904721 PLZACTJYBFTOPL-ZVZYQTTQSA-N 426.452 0.662 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422926 FQZQPHXUWCJARP-XCRNZQRYSA-N 426.517 0.995 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1793831396 BOZAVHGFEBMDDY-YYIAUSFCSA-N 448.568 0.934 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886448 BOLQVAPGAFNZJA-NYSWEBBMSA-N 439.582 0.522 30 20 ICED 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427.457 0.587 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1836857361 MUGUNYNSKAIMPM-IBGZPJMESA-N 435.565 0.746 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)cc1 1836893403 QZBAWWBPLBAXFP-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837374738 IPXVLYJJNDBNRD-VCBZYWHSSA-N 430.571 0.105 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1837394655 GOHXDUZLDBBJMG-XXBNENTESA-N 446.548 0.791 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837397165 RQTGYYIVYBVFTI-XMSQKQJNSA-N 444.488 0.866 30 20 ICED O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567407 JIEXUTIVAKKWGE-OIUBOPETSA-N 433.505 0.972 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628577 KYKAYUFKOJPYQU-HXUWFJFHSA-N 433.417 0.970 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826420 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CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 519898970 MJNMJCGPCCKVED-NRFANRHFSA-N 427.549 0.629 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2)CC1 527339745 ZORXAUHQZGMAPY-UHFFFAOYSA-N 438.536 0.641 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)CC2)nc1 530603449 WLYJEYUOIPTSDY-UHFFFAOYSA-N 447.455 0.292 30 20 ICED COc1ccc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] 532311786 GQVGBOHVZIIFDZ-ZDUSSCGKSA-N 439.432 0.732 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 532505305 AIQUMOJGGIWTRF-OAHLLOKOSA-N 435.550 0.141 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 532703843 FUJWMWSDRZJFES-OAQYLSRUSA-N 435.594 0.945 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 537713163 LQJAJDQWFQCNOR-QGZVFWFLSA-N 441.469 0.881 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCOCC1 543917726 NCUJKAZRYZKZGC-UHFFFAOYSA-N 429.408 0.908 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 550333788 AXKMTTFOMBIAPS-CJNGLKHVSA-N 429.926 0.832 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551543984 YSCHDHAJEYNOAJ-UHFFFAOYSA-N 436.472 0.755 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 552892106 USKNWYKNAAERPC-SFHVURJKSA-N 441.532 0.632 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 553354406 QQJOTMSJFABUSA-SFHVURJKSA-N 446.467 0.532 30 20 ICED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 563231517 GVYRDALAKYLSBL-WMZOPIPTSA-N 435.488 0.449 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1 565125354 AOVYCQQMVNEUNF-RDJZCZTQSA-N 441.550 0.706 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Oc1ccc(F)cc1 579894962 YXKJPSDBMVOXEX-QGZVFWFLSA-N 435.433 0.712 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 581095617 WFUOGYYMMIRYHR-MBOZVWFJSA-N 441.532 0.785 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 590284981 YDLRFKPBISBFQT-UHFFFAOYSA-N 447.499 0.172 30 20 ICED COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 590709573 NTEQQFDDJZVOKB-UHFFFAOYSA-N 427.461 0.149 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C#N)C1 609268611 GSRHGOIFVMDUCN-HIFRSBDPSA-N 449.938 0.173 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 610799871 CDRFORIWBZNAPA-UHFFFAOYSA-N 434.543 0.096 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 613245787 LWSYKOGGIDFUAO-QGZVFWFLSA-N 436.534 0.819 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 728532575 CERXEHICBJPPBQ-SFHVURJKSA-N 446.935 0.847 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 728772524 YYUMFXNUNIUBQA-ZDUSSCGKSA-N 446.407 0.509 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1 729009038 OZOKVGNDQBJXBH-UHFFFAOYSA-N 431.445 0.892 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 734041329 WSSPGXNFJRYJKB-HXPMCKFVSA-N 434.474 0.039 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCC1=O 739115052 ACTQQXGASCGPRT-AWMROSOHSA-N 435.506 0.175 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(CCn4cncn4)CC3)ccc2c1=O 740748436 IUVQQLWGULOELZ-UHFFFAOYSA-N 425.518 0.921 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(C2CCOCC2)C1=O 746899493 KIZPLAWSBMKEKQ-MRXNPFEDSA-N 435.502 0.828 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 747962305 QGMOTMLXUBRIDL-UHFFFAOYSA-N 433.528 0.826 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 756029625 JHXQXCOEPRXOKF-XSOQZJFOSA-N 443.551 0.784 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2C)c1=O 758078473 MWTNXYLHXFHRRB-UHFFFAOYSA-N 438.528 0.658 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CCOC 758559596 OHLUNVYQRWKRKM-UHFFFAOYSA-N 441.557 0.581 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc(C#N)ccc1O 759718611 ZJAHTDKOBRTWJY-HNNXBMFYSA-N 437.499 0.984 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 761032539 JRLRJXXDIHQTSW-UHFFFAOYSA-N 437.953 0.980 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 761033868 ZWOWSZVWABZMAB-HNNXBMFYSA-N 426.514 0.266 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)nn1 762708460 UMLUDSMLUHFPGE-ZDUSSCGKSA-N 430.396 0.908 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CCC1 771081206 VCAKIVVCVGDKAH-NADMHLTPSA-N 444.513 0.930 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 772116855 ZUEUMYIFHXMQDV-HSZRJFAPSA-N 440.500 0.849 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCc1ccccn1 772302874 LIMLCPGLXQWFNX-UHFFFAOYSA-N 432.509 0.650 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)NCc1ccccn1 773976521 XHMMIRZFDFHFTA-UHFFFAOYSA-N 429.502 0.723 30 20 ICED Cc1c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cccc1N1CCOC1=O 782904928 JJOAKZKUVAOVRY-UHFFFAOYSA-N 429.477 0.965 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@H]1CCS(=O)(=O)C1 783481180 OJEKXNCJWCBMHO-SFHVURJKSA-N 441.509 0.792 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 787374860 IDARMNPULKQEJQ-USJSMJIESA-N 443.522 0.844 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)CC2)o1 796280826 SQQYKYUNLCZKEK-UHFFFAOYSA-N 439.476 0.753 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)n1 804569234 DRDHWZJMKRUWLX-INIZCTEOSA-N 437.500 0.888 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1CCCO1 809311203 GQQWQHDNMLBQFG-SJLPKXTDSA-N 432.908 0.720 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 878407019 IXGGPTRKRJOIKK-SJLPKXTDSA-N 449.529 0.503 30 20 ICED CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915373985 RHHFBPHISZTMJN-UHFFFAOYSA-N 425.445 0.996 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cn1C 1138163469 LPEXDDKNBWINHU-UHFFFAOYSA-N 427.490 0.595 30 20 ICED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286959919 IRYRAXSFIKOBBM-HUUCEWRRSA-N 446.537 0.803 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1290634916 XULATJIDKINEPD-VQTJNVASSA-N 447.565 0.819 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1292122840 YTTYUMIAWPDCLO-LDJQZATESA-N 445.568 0.913 30 20 ICED CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1295075275 OYVXBMRJKREEQY-JKSUJKDBSA-N 439.524 0.637 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[C@@H](C)C(=O)N2CCC(C(=O)NCC#C)CC2)CC1 1325280181 VOBMGUQDTXCQEW-HDICACEKSA-N 442.560 0.235 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(O)(CC#N)C2)c1 1338863285 VUPZOLFANFMDNC-UHFFFAOYSA-N 432.296 0.474 30 20 ICED C=CCOC[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)O 1345172065 CEOVACBIMGHSKQ-INIZCTEOSA-N 440.522 0.078 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1513169010 ILDPVXCKNTVIPX-UONOGXRCSA-N 425.559 0.933 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1519607672 YQOJDAUAQLBPDE-UHFFFAOYSA-N 446.533 0.752 30 20 ICED C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1541806692 QXFQHWDPRJOVSK-CQSZACIVSA-N 431.522 0.867 30 20 ICED CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1617981277 STMHKWYJTJRHLX-FQEVSTJZSA-N 439.501 0.793 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)c1 1621611490 WLVLZMYICGALDH-UHFFFAOYSA-N 435.549 0.721 30 20 ICED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706556243 TZTRVTMBFJCSPE-CRAIPNDOSA-N 443.549 0.393 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(C)(=O)=O 1727226318 ZUVNNCMQUQJIAB-INIZCTEOSA-N 437.570 0.418 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1729596870 NJYVQBXTLGDVKW-QFIPXVFZSA-N 425.537 0.652 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)c(F)c1 1751234527 LIERHSNQUPYFNU-DGCLKSJQSA-N 426.449 0.944 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1763932891 NBSBSOBDRSFNCD-BHYGNILZSA-N 428.541 0.711 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccn3n2)C1 1777814849 ZEORBJJEZOYJKB-GSHUGGBRSA-N 425.489 0.895 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017176 COCLQJAABJIULF-VQYZLWMVSA-N 432.525 0.445 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cccc1=O 1779101478 QOEMPRFSTZPQRE-HVHIPWAVSA-N 432.477 0.358 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779395813 GLSFPMWOMRLHGT-XMSQKQJNSA-N 447.532 0.651 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1c[nH]c(=O)cn1 1780123351 WMBJQMIMSMUSHH-AVCWCNGXSA-N 447.492 0.426 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1781107852 DMOMAXAPVKUFGK-QHCPKHFHSA-N 437.544 0.782 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1)C(=O)O 1781174530 PDDAHGABNRCAPN-PGRDOPGGSA-N 444.488 0.002 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1781695592 KRSKHSWFTBDOOG-JXKFMYIUSA-N 425.529 0.769 30 20 ICED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1Br 1781903001 REKFZUUOZIQBQX-MAUKXSAKSA-N 436.310 0.050 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782205803 DCQYEZCQRGQUJN-LXYDUGDFSA-N 449.504 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(OC)c3F)C[C@@H]21 1783531045 ISYMTIXLHIMEHA-BVZCXFIXSA-N 446.479 0.681 30 20 ICED COc1ccc([C@H]2C[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1784432411 BWYQGROGBYBWLO-ZDNSCYFHSA-N 426.469 0.866 30 20 ICED 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 1784478623 CHJOXLYMDSRKRU-LNMJFAINSA-N 449.529 0.117 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785169528 QCCAABLGRCKASA-BZSNNMDCSA-N 432.546 0.710 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1785425372 NGWVEGSGRZGEFR-IMRHEYAYSA-N 449.548 0.990 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1786858065 BMNXCRNEYXOICG-BQFCYCMXSA-N 439.520 0.604 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nnc(Br)n4c3)[C@H]2C1 1787148364 OIOSBBSYSATMPW-IHRRRGAJSA-N 447.293 0.999 30 20 ICED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)CC1 1788190534 HIIKZDWLNPEVMY-FKBYEOEOSA-N 439.560 0.328 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C[C@@H]32)c1 1789345227 SAJWZZPOXVSMKM-VKESLTNKSA-N 439.516 0.881 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CSC(=N)N)C[C@@H]43)c2c1 1790328103 MWGASCDIUZNPLI-NOLJZWGESA-N 441.517 0.655 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1791811346 CNRTYSFFUNOKKE-GOSISDBHSA-N 437.456 0.679 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1793344410 NQHSUGXBFSQIMS-YKQMIWISSA-N 427.457 0.349 30 20 ICED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)n1 1794591555 DDOFPPOQVPZADK-GNXNZQSNSA-N 449.393 0.618 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nccc2nc[nH]c12 1796237636 BYQWCDAPAQHDCX-VCLYVLIWSA-N 442.476 0.690 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549734 PVUFQBIRGKWDAZ-UKBAYJJMSA-N 427.501 0.706 30 20 ICED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797809834 HDBMKSBNTATGON-MOPJNSFFSA-N 438.510 0.312 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nn1 1797837964 DATBKONYQNHQRD-VZHSUQGRSA-N 427.461 0.791 30 20 ICED 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CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC3CC3)[C@H]2c2cccnc2)CC1 1803452377 MSSSHFBLLSSEDB-ZJSXRUAMSA-N 437.544 0.665 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804182652 HODKEUUKTRQVQA-DYESRHJHSA-N 443.504 0.622 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806810899 XZLVFXUESWTCEA-LMMKCTJWSA-N 426.521 0.648 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1810236006 PHXNEWOCFJPBRK-RWQQGDIJSA-N 429.521 0.833 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357393 FUONSKGMPKFZOX-ZIFCJYIRSA-N 438.475 0.949 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1812668600 MMBSUIIZPPCGAY-DZKIICNBSA-N 435.431 0.897 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1812877488 MGNBXPJTDJYIQB-MGPUTAFESA-N 436.424 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC)NC(N)=O)[nH]n1 1814437373 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C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832844316 NMMSSSARLOISHV-HTAPYJJXSA-N 433.480 0.648 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3)CC2)CC1 1833098072 JEDPKFDAURJRGW-WAYWQWQTSA-N 431.581 0.512 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1834742750 WQUYLLLBKSZHQN-CRAIPNDOSA-N 439.557 0.422 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(C)c1)CCO2 1835036545 QDXIREYCFGEXJV-WEHRJKGCSA-N 441.528 0.852 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339847 VHXMMLFHIYRTDC-JTSKRJEESA-N 427.505 0.752 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cc(F)ccc5n4)C3)C2)CC1 1835344413 CIWYSITXYWZLQT-NRFANRHFSA-N 427.436 0.847 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835827590 XXYNDTXGKORMSH-SLYNCCJLSA-N 436.578 0.882 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1837391424 QMECVEXGFGOQIL-AUSIDOKSSA-N 437.581 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1837400271 BITAUDNHPMKSQO-HTAPYJJXSA-N 449.552 0.676 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838451928 JQJFBNOCZODHFW-HSZRJFAPSA-N 443.548 0.855 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838451936 JQJFBNOCZODHFW-QHCPKHFHSA-N 443.548 0.855 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1838908378 WXLFMCPPLVGPOM-NQIIRXRSSA-N 447.513 0.205 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1839420702 YJQBPIQCZOEZEN-HXUWFJFHSA-N 428.424 0.059 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)c(Cl)c1 1839424333 BSFYBPUPQSMYCN-HXUWFJFHSA-N 437.880 0.291 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1839478907 YLOKHFZSIZQXLT-JOCHJYFZSA-N 438.488 0.950 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839642061 CJMWLDVIVBNPLN-UTKZUKDTSA-N 425.526 0.292 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1839897944 XKJSCQDIQJPODV-QFIPXVFZSA-N 448.516 0.095 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)c(Cl)c3)C2)C1 1840042219 HDSMZGJSPVXGBJ-GOSISDBHSA-N 442.255 0.546 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1840161171 GMFQYULZJZKVGO-JKIFEVAISA-N 435.637 0.804 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840199486 BOIIGKNKZUSXSZ-TXPKVOOTSA-N 431.555 0.358 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840840362 OHFUYVZPXDSMCQ-SFHVURJKSA-N 428.411 0.922 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840853303 GZRSQRBITKEOEM-KGVIQGDOSA-N 439.553 0.321 30 20 ICED Cc1cn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc(C#N)c2)c(=O)nc1O 1847472685 GMSARQJPWMWXOJ-OALUTQOASA-N 435.484 0.964 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)n1cnnn1 1847941794 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CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)n1 477032652 IUJIGECLFBMEIU-UHFFFAOYSA-N 426.498 0.400 30 20 ICED CN(CC(=O)NCc1cccc(N2CCOCC2)n1)S(=O)(=O)c1ccc(C#N)cc1 477404009 KYVZWEAWIHANTQ-UHFFFAOYSA-N 429.502 0.727 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 480523666 GNKJGWFEABVQGV-GOEBONIOSA-N 442.563 0.545 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 481276918 PPLABENUIWPWSS-YJBOKZPZSA-N 435.550 0.284 30 20 ICED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 488222324 UDSLTRCWYQOBNW-ULQDDVLXSA-N 430.571 0.346 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488661369 YEIKSZBSEKTNHX-KRWDZBQOSA-N 449.467 0.782 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CC1 491246608 IHFOCTNWYDRQHG-UHFFFAOYSA-N 443.548 0.828 30 20 ICED COCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 500235467 KAJUXLNLQNEZIH-CYBMUJFWSA-N 444.307 0.921 30 20 ICED Cc1ccc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc1S(=O)(=O)NCC#N 518690455 LAZXFZDHKIJVDT-UHFFFAOYSA-N 429.502 0.623 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)c1 524282318 CQRVKMKLAZURKL-UHFFFAOYSA-N 448.504 0.570 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 524890987 QDKHSGCGLDJIAI-UHFFFAOYSA-N 449.558 0.692 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 531990067 PSHABMPMPOOPHF-GFCCVEGCSA-N 427.442 0.920 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C 532211197 PBXUMQNSNTUBML-OAHLLOKOSA-N 438.550 0.957 30 20 ICED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532576677 BNTIDJYBEUQWIC-HUUCEWRRSA-N 447.517 0.962 30 20 ICED C=CCc1ccc(OC[C@H](O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(OC)c1 533056971 KSOWKLRCDCHUBY-QYZOEREBSA-N 440.562 0.251 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCCO1 534602864 AMUJWFLVNVROAL-INIZCTEOSA-N 445.566 0.902 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)CC1 536988615 HSSYRFSPMQRXBE-NRFANRHFSA-N 432.613 0.745 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 542011526 UYSRKTMUIIGJPL-UHFFFAOYSA-N 434.499 0.873 30 20 ICED Cc1nc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)CCO2)n[nH]1 554159975 RWVZTVQDHWJIAB-QAPCUYQASA-N 441.467 0.809 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)cc1 555294624 YEYBYMXWEVKMMU-UHFFFAOYSA-N 433.461 0.857 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2)nc1 561101249 NXEVYPMYWFRUPS-KRWDZBQOSA-N 428.470 0.942 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)cc1 577447095 CPIZQXPUFKWYHJ-UHFFFAOYSA-N 444.517 0.946 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 603996897 KWGQLXJOAIDRFS-CYBMUJFWSA-N 425.510 0.834 30 20 ICED CCC[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 609487311 KKFGMKUQOIDSLC-HXUWFJFHSA-N 436.534 0.713 30 20 ICED C[C@H](c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1)N1CCOCC1 609936338 PIJUTKQTBDXQBD-CQSZACIVSA-N 425.493 0.944 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615631939 IDUOGRBEWRFQHO-OAQYLSRUSA-N 430.484 0.299 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 619565325 CRWXTIBQJMKPPA-BBRMVZONSA-N 443.547 0.514 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 728573035 JAQHBLYVJLZTPV-QGZVFWFLSA-N 449.577 0.067 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 729256961 OQMAZPYJSMUIPS-UHFFFAOYSA-N 427.480 0.588 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730724270 LNMRZEOSEQYUAQ-LVHCJKAXSA-N 437.503 0.458 30 20 ICED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 734236192 UPYMOBLLRFKVBA-UHFFFAOYSA-N 428.474 0.646 30 20 ICED Cc1noc(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 737278787 PXJUAXJUVYOFDF-JLPGSUDCSA-N 448.505 0.878 30 20 ICED CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(CCOC)c2)c1=O 743727519 PIKYNDSZOWZZEG-UHFFFAOYSA-N 437.525 0.939 30 20 ICED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)cnc2n(C)c1=O 746941179 HEOJLFKYIQHSSF-UHFFFAOYSA-N 427.804 0.953 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 755552327 NAMWHIQJFHJWCE-ABAIWWIYSA-N 441.444 0.726 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)cc(F)c2)c1=O 755628039 OQZMADKSDPGLPM-GFCCVEGCSA-N 437.468 0.489 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ccncn2)CC1 755652022 ROQZCZZJRPVUTI-UHFFFAOYSA-N 443.485 0.357 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 758078868 CZPTWELWMHXHSB-UHFFFAOYSA-N 439.493 0.350 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@H](C#N)C1 758354940 USYZBCZTTPTINR-HZPDHXFCSA-N 443.508 0.771 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)CC1 758765360 YFGUMVCWAQGYPP-ZWKOTPCHSA-N 448.568 0.941 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCN(C)CC1 763604760 PNFDGAMKUXMCLS-KRWDZBQOSA-N 449.577 0.372 30 20 ICED COC(=O)c1nccc2c(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cccc12 766806214 OIGMDDUGXHMXQH-ZCXUNETKSA-N 430.442 0.826 30 20 ICED C[C@@H]1CC(=NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)NO1 773539675 YCVWRSSNWJPZRK-SKDRFNHKSA-N 436.412 0.856 30 20 ICED C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1CCCO1 776226625 UGDAMXKJHOLMJZ-ROUUACIJSA-N 434.518 0.875 30 20 ICED O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)CCN1 781104272 QIZSCCFJELTOAG-NPNYCVGBSA-N 444.561 0.025 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)nn2C)c1=O 782585514 DUODQZQHVBWIBJ-UHFFFAOYSA-N 436.335 0.597 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 782908050 XOCDBVBMFDANMY-UHFFFAOYSA-N 437.500 0.910 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(I)ccc1-n1cnnn1 783535467 DTIDLCKETLLSAX-UHFFFAOYSA-N 447.258 0.598 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 784847948 CWRDBSWGMYCUKY-OAHLLOKOSA-N 436.534 0.630 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790870262 VYAYVHMATBLTKR-LLVKDONJSA-N 425.410 0.806 30 20 ICED COCCN(C(=O)COC(=O)c1ccnc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 795976932 QEUAZAPQOPJDRU-UHFFFAOYSA-N 444.448 0.290 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CC(F)F)c1 797368133 NYEGETAYNNCZSP-QNGOZBTKSA-N 432.449 0.524 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC1(C#N)CC1 797780083 HEGAEHKDIAGLRE-FGLWMGOFSA-N 425.532 0.800 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 798063192 FGXZKPMZPIBRLI-UHFFFAOYSA-N 444.513 0.599 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 803265532 WUFRYKLZYCKYAY-UHFFFAOYSA-N 429.502 0.528 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 837284700 DXNJLGIWTVPLBU-UHFFFAOYSA-N 435.509 0.767 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCOC)c2=O)cc1 838179423 XKQPGUWACQVGMJ-HNNXBMFYSA-N 429.542 0.773 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1=O 917456866 MFXZSJUDCHPUGI-UHFFFAOYSA-N 428.449 0.232 30 20 ICED C#CCCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1116110800 JTCDDINHEREZDE-LJQANCHMSA-N 449.573 0.832 30 20 ICED CC[C@H](CNS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1273135121 STEQESQZVQFLLL-MRXNPFEDSA-N 442.563 0.403 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1291223645 KYUIGTIXJQDYTQ-HOCLYGCPSA-N 428.518 0.918 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C[C@H](C)O1 1462807792 UDMBEXACBPYPIU-HOTGVXAUSA-N 442.563 0.413 30 20 ICED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516972864 MRYNDUPZZBKZED-UHFFFAOYSA-N 437.508 0.082 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539803589 JQHMVPGCLQPEDL-CYBMUJFWSA-N 436.904 0.001 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539803948 OZNBJPXWPQSDTL-ILXRZTDVSA-N 449.961 0.604 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c(=O)nc1O 1557600277 JFACCWJDHRAVTG-LJQANCHMSA-N 431.452 0.978 30 20 ICED COc1c(C)cnc(CN2CCC(N(C)C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1C 1585081291 MASFXDVNBSSGAZ-UHFFFAOYSA-N 440.504 0.964 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1696951256 RZIAGEGZYHREOY-INIZCTEOSA-N 435.492 0.868 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1764304805 WERDYPPVQAGBBH-HUUCEWRRSA-N 428.559 0.900 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1766880691 OFFHZEYQQZABQE-UHFFFAOYSA-N 433.520 0.809 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951939 OFHSBMMOTDWHQQ-YIPJSWNASA-N 442.476 0.702 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1778974934 UMKRCHKRPNEMHE-PRCFCKQXSA-N 444.532 0.603 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1779037994 MWQWPFSVYIEYEL-HXUWFJFHSA-N 433.509 0.625 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1779123144 PVOALRSCRVDDIJ-JOCHJYFZSA-N 437.456 0.728 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779410753 SILCLJIRINQHTC-UEVCKROQSA-N 435.565 0.919 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C3)c1 1780088693 ACFJOYWLGPCHPG-WIYYLYMNSA-N 449.529 0.739 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1780168984 XKCPMZUKLZDEDR-QFIPXVFZSA-N 438.440 0.723 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334855 NZZRPHZNAALDPX-KKSFZXQISA-N 447.492 0.215 30 20 ICED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780755350 GPAMGRSDTNECND-DENIHFKCSA-N 430.480 0.890 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)CCO2 1781264401 YXPAGQUAHFNXBL-JLHGSKIFSA-N 436.505 0.915 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1781400072 HJDXUWOGIJVVRG-VQIMIIECSA-N 444.554 0.043 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542444 FVMIIZIEOYRFDJ-FZKQIMNGSA-N 431.436 0.255 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782665857 BZKKVBQVAAFFAV-JKSBSHDWSA-N 430.505 0.621 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)C1 1783461551 XGXHEXPAVGHUQM-JDFRZJQESA-N 434.518 0.398 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 1783530539 BTTRDOZFJUJEQK-LYGXWFJISA-N 441.532 0.361 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)C[C@@H]21)C(=O)O 1786897679 NYKKJZGNVFXDNM-IKICRFKJSA-N 448.907 0.868 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788450523 NMMGWRASKPJYIM-BZSNNMDCSA-N 439.520 0.604 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789797376 KERCAFIPJOIJQV-XSLAGTTESA-N 428.524 0.813 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1789952476 INLMVVZHQNKURC-QEOTZNIISA-N 431.555 0.448 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c1 1790859203 ADGJDYRATIZUOV-CBVHJVASSA-N 426.473 0.296 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cc(C)cn3)[C@H]2C1 1791590509 GBHMOFXGKGRNKI-OOAFSNHKSA-N 429.521 0.591 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCN(C)CC2)cc1 1792457675 HMTDWNQHSKNFDT-PHXBYCTMSA-N 432.590 0.960 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1795599515 PCIJVQBRWZWEOS-XEMDLRDOSA-N 439.520 0.143 30 20 ICED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796464529 GLCDTINFAUKHEV-RKLKBWSTSA-N 433.530 0.849 30 20 ICED 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](CC)NC(N)=O 1796760682 IXUPZDISHDZYOS-QEOTZNIISA-N 449.552 0.988 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797925037 VRDIKTNPWBJMDL-HCBXPFHNSA-N 426.517 0.995 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797939558 MBBWZOHNMWNWSD-WGVRVLLMSA-N 429.904 0.972 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798925749 JEHAKRFYSVPCEZ-VTYHHJSWSA-N 445.516 0.831 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1800911199 HLQHWZRXCCMLMM-BASYENTBSA-N 439.509 0.609 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c(Cl)c1 1801120720 VRRAWDLABNXIAA-VTEUUUEMSA-N 442.859 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1802482410 LXLFMYPZMCRRAJ-JTTZZOPQSA-N 425.445 0.953 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1804128511 VMZKMSPBNWUABI-QDMKHBRRSA-N 448.443 0.015 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccnn1)C2 1804373572 FXVUYYCTSBKNBX-YVSFHVDLSA-N 430.509 0.833 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccnc1 1812881663 YXGGKZGJFHYOCI-KSFYIVLOSA-N 448.435 0.820 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1817321045 ZGUMZMZWIYQXEA-INIZCTEOSA-N 440.508 0.941 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819361347 VYJLKLGNGPIQHN-UONOGXRCSA-N 432.481 0.527 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826315608 PWCXGLZXTWHYHH-GFCCVEGCSA-N 444.517 0.262 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826867662 HARHMKHEQFGXEJ-CFHLNLSMSA-N 429.506 0.595 30 20 ICED C=CC[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829288915 PZZMCNMEZHMJDW-GAJHUEQPSA-N 445.516 0.961 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630181 XPMYUNXSBFWXOU-HSZRJFAPSA-N 445.516 0.610 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829768493 AEWGAGYJSOLKTI-KSEXMQBYSA-N 438.484 0.487 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1830342830 JNXNVAIKAGOUCL-MSOLQXFVSA-N 436.553 0.708 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1831391778 GMSJODXMAOMJJE-SBUREZEXSA-N 440.500 0.682 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1831414338 ULTAJIZJGDFCCR-XLIONFOSSA-N 430.567 0.540 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831432556 ASEPQHWXWKYMKO-KSFYIVLOSA-N 431.489 0.447 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831438419 QTJIKCCCHAGWCR-DENIHFKCSA-N 434.537 0.938 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832872955 JZSOPSPYRJVRQX-OAQYLSRUSA-N 431.493 0.141 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833091570 HZSIHPUNRVEVPR-NRFANRHFSA-N 434.493 0.157 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833173659 PBQPJRQDETZKPU-HRAATJIYSA-N 435.908 0.772 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833628575 VSCHPLJJLZZNBR-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835775493 SLYJBZKTMRZFJU-BAIPJPNRSA-N 427.501 0.777 30 20 ICED COc1ccc2oc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2c1 1836821897 HMUIEHZQFNXDAY-JOCHJYFZSA-N 442.424 0.599 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836885504 XGSIFRQBRXSXNP-HXUWFJFHSA-N 431.518 0.719 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837490640 JPWWXEXTAPCKAX-JOCHJYFZSA-N 428.489 0.245 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837668559 NVHIEQACRBTOQP-QFIPXVFZSA-N 433.505 0.360 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)c1 1838908463 AVKCVBSHUGGCMZ-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839175069 OAUCCIXOPKXIQR-JTSKRJEESA-N 438.521 0.525 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(Br)cccc4n3)C2)C1 1839808763 ZSYYCIWMFJJIBF-IBGZPJMESA-N 447.289 0.800 30 20 ICED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044643 PJHOEYVYJCXVAC-KSFYIVLOSA-N 432.448 0.549 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840433456 USZIBRWOQXULDB-GCJKJVERSA-N 448.520 0.485 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840906580 GCJDJFHMRVTJHU-HRAATJIYSA-N 434.493 0.273 30 20 ICED Cn1c(=O)n(CC(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)c2ccccc21 1842920505 SUEJHNUUTJMYHZ-UHFFFAOYSA-N 438.532 0.825 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)O[C@H]2C1 1846149541 OIPMUURTWLWPNR-OAGGEKHMSA-N 447.488 0.302 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847784669 LPXDGOVECOADNV-IKGGRYGDSA-N 425.551 0.215 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10770722 WGIOJJGJFDUYII-CYBMUJFWSA-N 427.454 0.781 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 31221987 NPGUURCAWJHBRT-UHFFFAOYSA-N 435.550 0.505 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(C3OCCO3)CC2)CC1 110079521 ISBRQGCGZKNQOS-UHFFFAOYSA-N 448.545 0.476 30 20 ICED C=CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 410067193 MZYVDDXECUXNGC-HIFRSBDPSA-N 438.955 0.475 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 430377629 JAZSZBFFXFUJFD-KNQAVFIVSA-N 440.544 0.817 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 430415177 DWTMVRWTKNRORU-GOEBONIOSA-N 442.563 0.382 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 435508927 ZYAWHUPRJXBHNP-OAHLLOKOSA-N 436.490 0.094 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 438762072 FXSBLZHLDTZDPZ-UHFFFAOYSA-N 442.564 0.636 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 444567787 HPKOYIPTFGMZQD-HNNXBMFYSA-N 448.480 0.844 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 446675492 GYEQAKWNLPPLTL-KRWDZBQOSA-N 447.561 0.647 30 20 ICED CN1CCN(C)[C@@H](CNc2cc(C#N)c([N+](=O)[O-])c(NC[C@@H]3CN(C)CCN3C)c2)C1 462835879 SJAQCZRCYGPQJI-RBUKOAKNSA-N 430.557 0.782 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 463797164 GWYRCQXZOBFEIC-UHFFFAOYSA-N 429.418 0.068 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 465419128 VSNZBUIPOLQILB-LLVKDONJSA-N 427.852 0.776 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 480940169 UDFAXAMCEQVHNN-UHFFFAOYSA-N 441.494 0.145 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 481496853 UMVDKIWTGHEXCJ-PBHICJAKSA-N 436.559 0.791 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2C)C1=O 482170590 OSFUNEVCKSLQPG-UHFFFAOYSA-N 428.445 0.407 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 484573605 VRSQRGIEDXRMJA-UHFFFAOYSA-N 430.490 0.380 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)CC1 491076942 MLHOTGJUHXVJQS-INIZCTEOSA-N 429.521 0.600 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 499004170 TZKLXJJGMHKRFI-UHFFFAOYSA-N 434.294 0.706 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1 500966224 PIPXAWDRDIMWQP-UHFFFAOYSA-N 440.478 0.664 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)c1 504883778 WCODVPQXAYGBHS-UHFFFAOYSA-N 449.463 0.475 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1 508019706 XBQZPCBYQSCLIP-BTYIYWSLSA-N 442.476 0.912 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1C 512313396 NCSNOEKWFDMELL-UHFFFAOYSA-N 444.517 0.756 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 531648321 BJGJJUNECQPEMQ-IBGZPJMESA-N 440.525 0.984 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n(CCC#N)n1 532998680 OOBFSTMSHYDIOR-IRXDYDNUSA-N 443.552 0.692 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 538348644 CMTJAUIBVHFEBM-IAGOWNOFSA-N 439.607 0.859 30 20 ICED C=CCc1cc(CNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)cc(OC)c1OC 541138388 KRYXXLZATNTNFF-UHFFFAOYSA-N 430.465 0.367 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCO1 548758348 FXXPRAJUJLFBOU-ZDUSSCGKSA-N 432.424 0.932 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c(Cl)c1 550463164 LEQIQAAAZNVBIG-UHFFFAOYSA-N 446.916 0.183 30 20 ICED N#Cc1ccc(CN2CCCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 590831512 JPZMTNSKAWZYCI-SFHVURJKSA-N 433.534 0.079 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 604168844 JKZQRHGQMUMFLO-SFHVURJKSA-N 434.456 0.142 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606086914 SCTTZOUJEAFRCE-LJQANCHMSA-N 426.498 0.960 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 727873188 HWWSUMDWGBBCOP-UHFFFAOYSA-N 429.520 0.812 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 728548223 APJSRWAZZUKMFD-UHFFFAOYSA-N 428.470 0.456 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 732413455 RSPKUPKIXCTXMI-ISLYRVAYSA-N 449.489 0.355 30 20 ICED NC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 735480621 OJYNRMXCBSAHSZ-UHFFFAOYSA-N 427.486 0.173 30 20 ICED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 743182529 RKQRRVQQMLPAEA-FOCLMDBBSA-N 425.442 0.724 30 20 ICED C[C@@H](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 743286224 VMTDKTLLVOOEHS-LBPRGKRZSA-N 433.490 0.790 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn(CCOC)c3)c2=O)cn1 743726898 XYDJPPCGJFKVAY-UHFFFAOYSA-N 440.529 0.686 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 748786357 RZWFKUIHVQKRSL-UHFFFAOYSA-N 427.442 0.332 30 20 ICED C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 756275076 IYTNURIDTGIPIF-IUODEOHRSA-N 430.479 0.201 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 758070307 SRYDLVUCUHYMSX-UHFFFAOYSA-N 441.509 0.596 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 771480760 GAKWHDOFSYFCQD-RPBSFSNWSA-N 441.444 0.105 30 20 ICED CCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 774771932 IIUYGVZDVKPUOI-UHFFFAOYSA-N 431.603 0.100 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 782478194 JHXWMCQVTCWDIH-RYPAHKROSA-N 449.533 0.565 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 792470208 HUXGHQPHBHPFCJ-UHFFFAOYSA-N 434.445 0.859 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 795155126 CBIVPMDYFYEYBL-AAEUAGOBSA-N 430.508 0.522 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 799257333 IVTJDRVTHDRMCU-GXTWGEPZSA-N 443.460 0.856 30 20 ICED C[C@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1sc2c(c1C#N)CCC2 815260123 KBLNTUDFCFINIA-QWRGUYRKSA-N 426.520 0.894 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 918957565 XAOXSMVJKMGAIS-OAHLLOKOSA-N 437.518 0.825 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1119328451 VTJOTMRPAYDJOX-UHFFFAOYSA-N 429.502 0.979 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c(=O)n1C 1189869503 YAIRIMIQOBODBS-UHFFFAOYSA-N 437.287 0.778 30 20 ICED CCN(C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1251343040 QCXBJQWCMRTYNQ-RDJZCZTQSA-N 433.486 0.490 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1305207987 YGUVIWHTKJKEHT-INIZCTEOSA-N 446.533 0.989 30 20 ICED N#Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)ccc1N1CCC(O)CC1 1318790716 LMZVHIAMSDNOMC-NVXWUHKLSA-N 446.529 0.493 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CO[C@H]2CCOC2)CC1 1318910666 ONWIZGLQKKXHHI-AWEZNQCLSA-N 430.417 0.804 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC1OCCO1 1633540496 JVXAAKSCHOXURY-ZFWWWQNUSA-N 425.507 0.524 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1=O 1712486956 WFRUQWMOKUTLOM-UHFFFAOYSA-N 439.520 0.980 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CC1 1760620245 KAUZZDVRBAVIIY-UHFFFAOYSA-N 436.520 0.259 30 20 ICED CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1765607748 XLTGVGHACWQBTR-QGZVFWFLSA-N 442.568 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777972337 INUVGPXNRFDINI-UZQCKINESA-N 435.484 0.932 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1777984984 TTYDDWWVYGEUME-JBYIUTFZSA-N 448.564 0.646 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1778877558 AGFYJTVAKVYHAP-RXVVDRJESA-N 439.578 0.315 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019795 UHSRFWBXUMSSQC-YQNSVDCASA-N 439.520 0.953 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061452 YNGZWEYGAZLMLX-QHCPKHFHSA-N 433.549 0.677 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccco1 1779105777 UTELQZGQXNZWRW-UZWDYZERSA-N 448.476 0.368 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1779276387 XHQWMSQJTQNJFT-MIZPHKNDSA-N 437.581 0.555 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779960031 ARTBTMZGCBKTMA-NRFANRHFSA-N 425.493 0.455 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782668513 HEVHKXHGKBHGGZ-HRAATJIYSA-N 432.546 0.949 30 20 ICED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1783223178 ZBJUBJBQDDUOCF-NRFANRHFSA-N 427.457 0.720 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495632 VVWWGRCDFHRJRF-XGOBVKBUSA-N 437.496 0.765 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C[C@@H]21 1784486798 PXHDXZBUZDMJJG-XPSJOHQASA-N 441.528 0.823 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784536222 POXIXQDJSAQIIO-ATIWLJMLSA-N 444.550 0.415 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1788656436 OXUANUDAMUVKKI-LWCMMPBVSA-N 432.477 0.442 30 20 ICED Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cs1 1788658380 QKFAWRUKNLMXLU-QNJAAANCSA-N 437.522 0.848 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907005 IINFHJYTZPTMCC-QRFRQXIXSA-N 433.480 0.883 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1792172420 GBTSZROKPLGWAR-BZSNNMDCSA-N 425.551 0.051 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1792257409 FEJUIVOEFSUUNP-OWLYRPNTSA-N 445.520 0.920 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793161671 POIJOBYWLJCMLT-RMFSNUHRSA-N 426.473 0.533 30 20 ICED C=CC[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 1793593039 YHFJESFMFNOFSW-QKPAOTATSA-N 441.525 0.664 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)c(O)n1 1794823477 NDLLYDFHVQMABE-MUJYYYPQSA-N 441.488 0.709 30 20 ICED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795993998 HXRZRUDGIPUDNF-BAESOJJISA-N 426.395 0.946 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797390111 MCJUJWUJWAOCRN-JLVBRIDZSA-N 427.461 0.442 30 20 ICED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)o1 1797746145 WXMJETKPKHNICR-JLVBRIDZSA-N 431.493 0.723 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 1798580742 HIGHWDLBCCJWKU-BKFWEMOKSA-N 441.484 0.648 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1 1799219870 DHRCAURCWDGNJT-GIFQPEHOSA-N 448.564 0.635 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(I)cnn1C)C2 1801000030 BDULZTGVJGSTCO-GNXNZQSNSA-N 444.273 0.804 30 20 ICED O=C(/C=C/c1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801446751 BHXZVVOCGRADKC-GOXRVTLOSA-N 429.477 0.608 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989888 MESZTZZBJPTTHO-NYUBLWNDSA-N 428.489 0.441 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804183086 KONNLLYNHPQQTK-HNAYVOBHSA-N 431.518 0.558 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)c1 1811409991 ZLARBCYYXGJMRT-UZLBHIALSA-N 436.472 0.950 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773855 AKMQWSJYESHVKU-MIUBOFOBSA-N 435.554 0.120 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821714807 ASDFCAPXCNCSOP-KBPBESRZSA-N 435.481 0.518 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)COCCO)C2)C1 1829266601 ZTZGNVJBGKPZLB-QFIPXVFZSA-N 429.473 0.081 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)C1 1829671365 ZAGNVYGQFHUYHQ-GWJPWWOOSA-N 431.533 0.810 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)cc1 1829898358 ACSZZZNVYCZNII-QHCPKHFHSA-N 437.500 0.913 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)no1 1830056496 BKBLVUDFJDLAGR-HXUWFJFHSA-N 433.465 0.318 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831265063 GAMLRIJRQSCXIC-NRFANRHFSA-N 433.892 0.284 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C)n3)C2)C1 1831387626 RKNVEMCWIZYPMT-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1831406831 HIXRZTPJMWPSDW-NZQKXSOJSA-N 446.548 0.911 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(F)(F)F 1832160603 LWRZLAXONPUVSD-DLBZAZTESA-N 430.383 0.270 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)C(F)(F)F 1832161169 BDVUAYVLXXIVQD-OALUTQOASA-N 441.406 0.942 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833040644 SAZSCJGEZGCUEH-OAQYLSRUSA-N 426.477 0.470 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1833074846 BIYZJDLJISXHIE-ARJAWSKDSA-N 441.532 0.364 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833123446 UCQNWBDLXGWPBB-LPHOPBHVSA-N 434.581 0.657 30 20 ICED NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833240365 XPVPNESJNAMLPP-UHFFFAOYSA-N 445.951 0.931 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833472821 HRTUZAASKXIIOG-IAGOWNOFSA-N 443.610 0.830 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834567160 XUILYYYUIDNZKN-UHFFFAOYSA-N 439.553 0.730 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1834715481 IFVRFKXMLQPACJ-UHFFFAOYSA-N 448.568 0.292 30 20 ICED N[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835098693 OLOYIPQOCSUFEX-RDGATRHJSA-N 448.523 0.980 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1835102381 SNFBJVDFHZQWKR-QFIPXVFZSA-N 425.441 0.289 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835679877 BPADJBRAHNRXSN-HSZRJFAPSA-N 439.516 0.910 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835767637 IJLNVZWTGBVNNX-HLQTZPMBSA-N 447.540 0.379 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cncnc3C)CC2)CC1 1835969212 WBFKGOIUCIUFDA-PLNGDYQASA-N 440.548 0.829 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836129892 DIZLAXKZJJMOHA-JOCHJYFZSA-N 431.489 0.659 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169507 UPZACQBSRDRRSU-HNNXBMFYSA-N 443.552 0.779 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836908070 QUKQFUAYXXRYDU-MRXNPFEDSA-N 435.569 0.778 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836969597 AFMCBTBHXHBHDL-JTSKRJEESA-N 448.520 0.309 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1837207518 AVCKUAYDCJSAKM-HRAATJIYSA-N 441.525 0.500 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486308 AEWVRZHFXWSEIN-MBSDFSHPSA-N 449.548 0.056 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837525612 NZYBNOAFZVXQIF-GIXQHCNUSA-N 439.484 0.864 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527799 WQFGLEWJRBWAOH-JJOCEZFHSA-N 425.482 0.341 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837646436 YKFIHKNUFGHNHP-HTAPYJJXSA-N 438.488 0.556 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)c1 1837956217 NPICUQCEOGNKAD-HRAATJIYSA-N 434.493 0.961 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)cc1 1837964743 RUROPCUIQSGCHW-HSZRJFAPSA-N 439.468 0.956 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580623 NXGLQMJLJVWKFK-JOCHJYFZSA-N 447.488 0.300 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795828 QQBABFKJNLJMMP-MGPUTAFESA-N 431.518 0.656 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1839072317 MHLVKPUDWVGWSX-SXGZJXTBSA-N 443.566 0.771 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(C#N)c1 1839132599 LAWUHLMOEUIVPI-YCRPNKLZSA-N 433.530 0.884 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C)cc(C#N)c4)CCO3)C2)CC1 1839453373 HXODWOVCUDDNKM-JOCHJYFZSA-N 441.484 0.890 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1839496483 LZNLMVFPGFEEAW-HXUWFJFHSA-N 446.847 0.374 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512580 FOOCLXPZCPTLLU-OAQYLSRUSA-N 425.445 0.709 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016490 GYQIDRXEUCGQOM-NGXZDTIWSA-N 449.507 0.766 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1OC 1840162118 MTHIXODHBDBOAK-ORAYPTAESA-N 425.507 0.487 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1840167721 IXDGELWEBAJMKN-YYFZDKIDSA-N 436.534 0.049 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840293498 FMNAHWVQBXWWHF-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1 1840352860 OPZKIVISCAOUCF-QDAQPVAASA-N 431.537 0.977 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1840813700 PTRZJRVZHNULBI-OAQYLSRUSA-N 445.476 0.462 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847941984 IFFLTOMSUOYBTR-ILXRZTDVSA-N 449.508 0.209 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8881244 NRMBVKLQPBRIRJ-UHFFFAOYSA-N 425.463 0.648 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)ccc1OCC(F)(F)F 64297200 VUOYZGHVRFNTQD-UHFFFAOYSA-N 434.396 0.590 30 20 ICED COC[C@H](CNS(=O)(=O)c1ccc(C#N)s1)NS(=O)(=O)c1ccc(C#N)s1 435445569 XGDYVUGQNKGMAP-JTQLQIEISA-N 446.557 0.825 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 445071389 ARABWEWPMWGMEO-LBPRGKRZSA-N 437.293 0.281 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 460587808 REVDXDVKXWEMTN-OAHLLOKOSA-N 431.456 1.207 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 460762179 BCHGCDRLGCCMMN-UHFFFAOYSA-N 438.536 0.918 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)CC2)c1C#N 473001022 OTTGXGFOVUALMG-UHFFFAOYSA-N 445.483 0.886 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCc1cccnc1 474349322 WJMVBJSEPAILJF-UHFFFAOYSA-N 449.536 0.517 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 475804757 CGGWBLCNTSDSKT-UHFFFAOYSA-N 445.505 0.381 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCSC 478863813 JTQVTMWWYDVWOA-UHFFFAOYSA-N 449.602 0.706 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c1C#N 484980185 ZAQYSLLETLSYCY-CWCFIDOXSA-N 429.502 0.523 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490039810 JZIWODSHTNCKEZ-AWEZNQCLSA-N 442.505 0.234 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2=O)cn1 498681347 DQXGNRVOVSWIJJ-CQSZACIVSA-N 431.250 0.914 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CCC(N)=O)CC2)CC1 502514286 BVQIEFRSSNUKRD-UHFFFAOYSA-N 447.561 0.369 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccon2)CC1 508830396 YQMUMZUVXWUPSS-MRXNPFEDSA-N 437.526 0.107 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 515856310 QZGRAWLURYEFBW-HFXUHXBXSA-N 440.500 0.572 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1=O 517815223 QAZDWSNDRJSRFT-UHFFFAOYSA-N 431.424 0.915 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cscn2)c1=O 523733267 QYDKQNMRBWOCMK-UHFFFAOYSA-N 447.586 0.070 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 538273018 CNXAFGYVODTMBF-RTWAWAEBSA-N 443.523 0.858 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 539234585 IFQYXWYUXLNGBZ-QRVBRYPASA-N 426.583 0.347 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 541163550 APIRZCMFWNZHGI-UHFFFAOYSA-N 445.928 0.880 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(NC(=O)CCC)c2)CC1 551200172 FRRLGZYSJOIHDE-UHFFFAOYSA-N 429.521 0.488 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 558239865 ZSDRBYQAXVHLIY-LMMKCTJWSA-N 439.516 0.933 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CCN1Cc1ccccc1 561108408 LHZZVTPFXFQOHT-KRWDZBQOSA-N 434.435 0.976 30 20 ICED C=CCn1c(Cc2noc(-c3cccc(S(N)(=O)=O)c3C)n2)nnc1N1CCOCC1 573602906 UPTMDMREUQPVCK-UHFFFAOYSA-N 445.505 0.897 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)n1 577112518 RZSKVFVPSRGEJR-UHFFFAOYSA-N 448.483 0.713 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 581375279 XHWRULFZFSGQPJ-UXHICEINSA-N 435.532 0.742 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 582701049 SLRBYWUPLUOHRD-NSHDSACASA-N 429.501 0.821 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCCC3=O)C2=O)cc1 585688996 LVDHDNLYSBBEMB-LJQANCHMSA-N 439.516 0.684 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 603793574 ZHSLYPIQWBHQCR-UHFFFAOYSA-N 438.553 0.356 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCN(c2ncccn2)CC1 604101945 DCDXNDWEFFHWQO-UHFFFAOYSA-N 433.520 0.879 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 609087676 FYGANMUGLCVNLA-UHFFFAOYSA-N 434.403 0.999 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 611174437 ISOKRBJGTZYPDQ-UHFFFAOYSA-N 441.504 0.329 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 727010560 DHLXGIHTRYBEOG-UHFFFAOYSA-N 444.469 0.720 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 728534493 NHNIZNJSWWFXRG-CEXWTWQISA-N 428.533 0.246 30 20 ICED CCOc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 743731431 QUDGGOLFYUIOOG-UHFFFAOYSA-N 435.509 0.813 30 20 ICED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 744410646 QZZSCIFKUDPISI-UHFFFAOYSA-N 445.541 0.639 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCOC1 749869258 HDMPDJSBQJEAKP-OAHLLOKOSA-N 429.546 0.751 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1C#N 752408072 MAGIPGYYITUQGN-AWEZNQCLSA-N 441.448 0.934 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 753990922 QNCXZOWRTQOBNX-GOSISDBHSA-N 437.518 0.536 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758084551 BGPMYMXHSIMJHF-YOEHRIQHSA-N 431.898 0.577 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758085616 ZLWJUXGCHXKKAF-UHFFFAOYSA-N 429.885 0.954 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c1C 761967070 GECIEHJUADTVEO-UHFFFAOYSA-N 433.490 0.477 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1ccccc1 763436163 DSLLPFKFMJUIBM-UHFFFAOYSA-N 436.537 0.757 30 20 ICED C[C@H](CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 765347383 GDMRSQBGDUNMCS-LMMKCTJWSA-N 447.605 0.988 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 766477336 IAVLZWIOPJUJCX-UHFFFAOYSA-N 438.506 0.924 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)CC2)o1 766950021 JVFDRJSEKUCUHT-IEBWSBKVSA-N 427.509 0.825 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 767677873 BWKANLUCVREQOZ-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 768965756 BZZWHDUVHFIGTL-CVALACBASA-N 429.524 0.394 30 20 ICED COc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 769638558 AVPUTVAIMJLEEX-UHFFFAOYSA-N 447.469 0.713 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772328754 GMRCHLPIKUMWCF-UHFFFAOYSA-N 425.510 0.516 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1)c1cc[nH]n1 772658773 XJTRYGXUKMRNKX-FOGNVHKLSA-N 436.494 0.242 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 772723243 KSDNKFYWMIZURK-UHFFFAOYSA-N 434.492 0.489 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778130844 LQMRJIKNAPVJMQ-NSHDSACASA-N 433.364 0.747 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@H]1CCCO1 785642677 HVVJSKPAEHALQS-OTWHNJEPSA-N 426.473 0.940 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)C1=O 787748620 RAPHFVLVNZTJKI-RBZFPXEDSA-N 428.445 0.956 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)N(CC#N)c1ccccc1 789116186 CTPGLHZYCVGYEZ-FQEVSTJZSA-N 428.445 0.702 30 20 ICED C#CCCN1CCN(C(=O)[C@@H]2CC(=O)C[C@H](C)[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 791127429 PMDFNFFXBIQLHD-MDNUFGMLSA-N 440.588 0.553 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 793723859 NXHJPXDHUSXPQS-SFHVURJKSA-N 427.549 0.771 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(C)C)c2=O)cn1 794578831 FNKPLQKVEVGEGZ-QGZVFWFLSA-N 444.557 0.907 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 799261311 XHYOEXJXIIDDHJ-QAPCUYQASA-N 447.513 0.192 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 799287600 RZMSZTAEYDFNHR-INIZCTEOSA-N 446.508 0.363 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1)c1cc[nH]n1 803576974 RRWTUHJNRQNUAI-UHFFFAOYSA-N 449.489 0.187 30 20 ICED C#CCN=c1nc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)[nH]c(N2C[C@H](C)O[C@]3(CCOC3)C2)n1 804682218 LUDPRSDFDQAWMO-UWSKWSKGSA-N 444.536 0.107 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@H](C)C1 807319149 UFCDVTLBXLNIBI-VGLIXDPASA-N 435.550 0.991 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 807382139 YRPBZRUQRKWCGE-UHFFFAOYSA-N 437.474 0.474 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)CC1 807391137 XXSJDPRIOUBQGD-MRXNPFEDSA-N 431.497 0.499 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 807468863 BXMADVZGGYLQGS-PXNSSMCTSA-N 436.516 0.887 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 810988880 ZMXYOEPRTGAVJX-UHFFFAOYSA-N 430.284 0.447 30 20 ICED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC(C(N)=O)CC1 856694064 NCLGTGJBBSJDRB-CYBMUJFWSA-N 436.490 0.148 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nc3ccccn3c2=O)cc1 918610112 HDUGXIRHQWMEPA-OQKWZONESA-N 428.474 0.948 30 20 ICED CCN(C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 919315362 ADRNEDREBMPBCA-MRXNPFEDSA-N 442.515 0.052 30 20 ICED CNC(=O)[C@@H](NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 919319251 YNBHBNQIAJAXMO-FQEVSTJZSA-N 443.481 0.620 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 921167547 TUEVAKLYLOPTNS-UHFFFAOYSA-N 427.530 0.675 30 20 ICED Cn1c(N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(C#N)c(=O)n(C)c1=O 1187073822 RPTRSUKBRQXCIH-ZDUSSCGKSA-N 427.427 0.973 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1286969773 RLPSSTLNTRBKSV-WIBUTAKZSA-N 447.517 0.936 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1302497632 ZERJCRCYHUXAEW-MSOLQXFVSA-N 446.533 0.750 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1307858807 UVVXMJPQNNMHKH-MOPGFXCFSA-N 445.495 0.288 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1337818650 AGIXWEBURAZFFB-UHFFFAOYSA-N 425.493 0.747 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCC1 1510217431 JAZOWAUYZRVMCI-HOCLYGCPSA-N 437.570 0.370 30 20 ICED CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1540947253 GWESXRXPMKQFEU-IBGZPJMESA-N 442.568 0.851 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1613558643 ITKGTTSPZBFUCS-SFHVURJKSA-N 443.549 0.966 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1692526658 YGJCYGQFTDGTSY-FQEVSTJZSA-N 429.456 0.771 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1696623175 PLRIUBSZWHBSTG-IBGZPJMESA-N 431.522 0.410 30 20 ICED C[C@@H]1C[C@H](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCO1 1742942900 IUMAEQYORXOZMB-KLHDSHLOSA-N 426.543 0.822 30 20 ICED Cn1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1769025660 VOZLVKHKEHENLH-LPHOPBHVSA-N 448.553 0.523 30 20 ICED COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1769248066 RBCOOGUIHMDWDT-UONOGXRCSA-N 425.449 0.984 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1770748847 SGRUTBIPOWATBA-JSGCOSHPSA-N 427.431 0.637 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778787069 WSVAAZQATYIUAV-UTKZUKDTSA-N 446.460 0.075 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778845849 SMROCUKNANGPCE-QFIPXVFZSA-N 437.504 0.654 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778859740 MWNCJBLYTYNIFQ-FDGPYGQJSA-N 429.561 0.855 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1778885797 MKVVHHHMUZGAGH-NFBKMPQASA-N 432.565 0.749 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779018572 ATAHBKQDKISHSN-GWJNGDFSSA-N 425.493 0.645 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779137417 YJDVBPIGTSAKRQ-FFCJBUTOSA-N 438.444 0.591 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1780169771 XILDJBPQPUEWOV-OAQYLSRUSA-N 428.445 0.463 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1780173649 BCUPGOUGMOWDHK-KSFYIVLOSA-N 438.488 0.938 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc5c(n4)NC(=O)CC5)CCO3)C2)c1 1780334896 PUFVJYSVDGNFFO-JOCHJYFZSA-N 434.456 0.923 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780696630 WACCVFUPUJTBQH-HSZRJFAPSA-N 425.533 0.639 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781336881 FEMJIKYWEYQUFN-YCRPNKLZSA-N 436.509 0.396 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783888829 MNIRIWGRCZPDKA-CKFHNAJUSA-N 431.555 0.410 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c(C#N)c1 1784475608 DCRMORFWDFMPCZ-ZHRRBRCNSA-N 438.488 0.792 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cnnn1 1784601166 CNLMTDHFKFJNOB-XCLFUZPHSA-N 435.448 0.126 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(Cl)c1 1785067646 ZALMBZWYVBGONJ-ZVZYQTTQSA-N 434.876 0.959 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)c(O)n1 1785774215 NWOVKVHIYRINPW-SNRMKQJTSA-N 433.505 0.508 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCCC4=O)[C@H]3C2)ccc1F 1786732234 YFHMZSCTNRUWCB-QRFRQXIXSA-N 442.491 0.842 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788292299 SMHXCZCGXHOOQS-DKIMLUQUSA-N 427.505 0.896 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1788677124 XJCFNOIJRVLOAW-XPLYWSEASA-N 428.445 0.391 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789798460 XAQCHTRLSWCMMG-HVTWWXFQSA-N 437.585 0.403 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)CC1 1790652825 RSTIFWFNQUONSG-DZKIICNBSA-N 429.433 0.040 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(CC)CC3)[C@H]2C1 1792291384 UHEJAWIUWBBTIZ-YJTGKBQXSA-N 432.565 0.556 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793351273 NBEZUGRDJXFBOJ-LJCCNALRSA-N 445.520 0.167 30 20 ICED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)cn1 1794338519 YVAAAVNFNAHJQF-MBTWDSIQSA-N 427.461 0.791 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)cn2[nH]cnc(=O)c12 1795277595 KPSIFYHJPXZSSA-RMFSNUHRSA-N 445.479 0.586 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)c1 1796306723 IYRAQUVFIRAAKP-NBMJBFSESA-N 425.514 0.788 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1SC(=N)NC1=O 1796427852 SZFZNFHVQJJVOR-WMINRCGGSA-N 447.517 0.091 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796979443 CQIRGABBUNOIQF-DFYYWFRZSA-N 440.500 0.119 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2 1797811104 GWLLQFIDGSSTNR-ZPCQFCQYSA-N 431.489 0.839 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798595121 TURNPXTTXNJEFI-MIFYACCESA-N 440.460 0.431 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 1801836706 IVPXJLAXNLJKQK-AMVTXUCVSA-N 431.445 0.845 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(=O)n2C)[C@@H]1c1cccnc1 1805307183 VPYRLWDSOQLTIW-ADTVPTKKSA-N 449.511 0.958 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)CC1 1809666522 WQSNBAXNPMTGEX-QPPBQGQZSA-N 437.544 0.665 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809695441 QOFBCGHREGLGBE-INIZCTEOSA-N 448.568 0.617 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1813267747 NZJVWFLVCIKBTG-YEYWNVNCSA-N 447.492 0.972 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCNC(=O)c2ccccc2)[C@@H]1c1cccnc1 1814027114 CZLWXPYRBQBWLG-CVDCTZTESA-N 448.479 0.996 30 20 ICED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814761793 IRVNMLZDNKGVBM-JTQLQIEISA-N 434.480 0.699 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)O 1819773945 DBDWPIMYSFXOKK-QZCWFCMWSA-N 436.538 0.590 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)s3)C2)C1 1829766414 XLLVTLCUAIDRQQ-FBQMEGEOSA-N 434.518 0.380 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2)C(=O)O 1829909092 NOIVHGAOHHLQKC-RSAMLISRSA-N 427.457 0.588 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243576 QKYIWPRORPMKDN-HXOBKFHXSA-N 446.500 0.438 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1831402101 NYZCJPBTRYQIEJ-MPAHJKEMSA-N 428.485 0.900 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1833075238 YKSHIYIPPXAHRS-TUYSUELWSA-N 445.564 0.107 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594456 UWNJIXUYHOVWCL-LWOHLBADSA-N 429.429 0.422 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1835100151 CAEREWIIULBOBV-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399914 CGKOGSRHVWMSTN-DEOSSOPVSA-N 448.608 0.849 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)c1ccc(O)cc1 1835534275 ZZWRWWONRBHHFS-LJFZDNNRSA-N 443.544 0.940 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1835681435 ZAALETBXOMVVQT-QFIPXVFZSA-N 429.521 0.362 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)cc1 1835695872 QTJNNVOEWDYHEO-LADGPHEKSA-N 449.511 0.652 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](N)c4cccnc4)CCO3)C2)c1 1835834648 PWRIZTCVADKNSB-GCJKJVERSA-N 438.488 0.441 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836986395 UFWPJCFBGWFLEH-WZONZLPQSA-N 442.516 0.977 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837241898 WDKCQZSNJXUDRO-WRJQPZMLSA-N 442.582 0.073 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837485962 RLNKIWOSGQJVHH-IIBYNOLFSA-N 428.493 0.427 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564184 BOWDMMKOVZWCEI-FFCJBUTOSA-N 427.461 0.567 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C(F)(F)F 1837678929 CLKVVMIPJKGZHQ-KDOFPFPSSA-N 435.443 0.866 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c1 1838580425 ANQRZYUSGLFURX-JOCHJYFZSA-N 439.472 0.684 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1838953149 QEJMJAWAWMDKHH-NQIIRXRSSA-N 447.513 0.205 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839104400 QXNBRICESDKVOG-YZUZCNPQSA-N 448.608 0.847 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1839173390 MPIFRPVANAHAAC-DYESRHJHSA-N 434.493 0.410 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839437392 VCFMEBJRAVGCQN-FOIQADDNSA-N 431.518 0.656 30 20 ICED CC(C)[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840039699 DNNCNVQTWJVIIL-JTHBVZDNSA-N 428.485 0.971 30 20 ICED C[C@@H](Sc1cccs1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042163 FMULVHGKBAUOOS-KUHUBIRLSA-N 438.527 0.773 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1C(=O)O 1840158327 JGQDMAGNTPMOLM-DJJJIMSYSA-N 440.522 0.551 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716020 RBUXGFIGVDWJRA-HOIFWPIMSA-N 428.489 0.518 30 20 ICED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842562494 WOXCHPSUGIFUEC-UHFFFAOYSA-N 432.484 0.948 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc(C#N)c2)CC1 1847469470 CDKXMVQGYUIKOK-VXKWHMMOSA-N 437.544 0.857 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 25962558 XJAOITKRGAMIID-UHFFFAOYSA-N 444.469 0.930 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)CC1 29857531 BKGLXWPKBXEBKA-UHFFFAOYSA-N 444.555 0.878 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCOC1 441943067 RXNHNNABGQMMMG-OAHLLOKOSA-N 425.510 0.760 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@H]1CCOC1 441966970 QZZZOAOJVGWAJP-OAHLLOKOSA-N 445.516 0.660 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443482028 IIQBYUZQWSMXQV-UHFFFAOYSA-N 443.323 0.680 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 460761692 XYSWFUNELPQQRH-UHFFFAOYSA-N 435.473 1.439 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C(C)C 466980899 LBPDCBYEJDROEL-QGZVFWFLSA-N 433.557 0.357 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCC(=O)OC 474334600 CBNYIMKBKDCFSQ-UHFFFAOYSA-N 428.514 0.596 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 480225807 WZGTWPODKJUAMC-UHFFFAOYSA-N 430.505 0.020 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 480445547 JCFLKSRJRUUZQZ-UHFFFAOYSA-N 434.504 0.521 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O 480656682 BVSJQSKLZSUDHB-ZDUSSCGKSA-N 426.454 0.637 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](CC)CO)CC2)cc1 494359340 ZCLFGDRBDZHZRZ-KRWDZBQOSA-N 438.550 0.347 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1F 497573249 PZNVHZSQBJLKSY-UHFFFAOYSA-N 448.476 0.899 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 499147522 OXNTUJPYSTUDRL-UHFFFAOYSA-N 431.449 0.632 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 508798797 XJOJQVXRMVHLBR-UONOGXRCSA-N 432.572 0.079 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509252911 DIEBOMIXOMZHNB-OAGGEKHMSA-N 434.588 0.246 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)nc1 509953447 AVVJIMKGGPJXPN-PBHCIXSXSA-N 446.529 0.795 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 540753679 KULXCLJBYBKVFR-UHFFFAOYSA-N 442.494 0.001 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 542329895 KJBNYQQPBONMJX-UHFFFAOYSA-N 446.485 0.617 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 554348810 MNHQWFKUUMUXSR-OKILXGFUSA-N 433.494 0.769 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CCOCC3)CC2)c1 555727635 PQXGOZKPTUSXRU-UHFFFAOYSA-N 448.527 0.750 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 559440223 OORGXKJGTUEFJG-SFTDATJTSA-N 427.549 0.696 30 20 ICED COc1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(S(C)(=O)=O)c1 559984334 DJNKCSWQLPPIGE-OAHLLOKOSA-N 444.469 0.984 30 20 ICED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1c1nccn2cnnc12 569772967 IFWUIGHCBWQOEP-AWEZNQCLSA-N 440.489 0.012 30 20 ICED COc1cc(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)ccc1C#N 574947494 HBODJFBSDYZKJW-UHFFFAOYSA-N 436.472 0.604 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 584866372 SSPVJSNHJCFOKO-CQSZACIVSA-N 425.507 0.862 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 588864673 NGCMCLIXMFLQCN-AWEZNQCLSA-N 437.378 0.360 30 20 ICED Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1C#N 589613964 MCNFJYRCKGDTFH-YJYMSZOUSA-N 431.522 0.875 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C1CC1 590997454 SSUMDNLJHRMRQS-UHFFFAOYSA-N 443.525 0.918 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 609507693 FVBKNFOVHPNZGR-QGZVFWFLSA-N 448.549 0.755 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 610664227 IFFLPKFDCMKAQD-UHFFFAOYSA-N 433.432 0.687 30 20 ICED Cn1nc(Br)c2c(NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)ncnc21 726739510 OAVVPXNCDQNTPO-UHFFFAOYSA-N 433.230 0.258 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(OC)nc1 726962066 PAAVDEMFSSNQBE-UHFFFAOYSA-N 439.522 0.873 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 728530510 INQYGZOMSZLUDC-LJQANCHMSA-N 446.573 0.289 30 20 ICED C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 728891473 UBJYZXQRESTIQS-ZDUSSCGKSA-N 427.454 0.764 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C 745540054 IFIGPSBCZXYXMX-QWHCGFSZSA-N 426.495 0.923 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 746256613 SEEGDYHRFNAEDO-ZREAOVPFSA-N 437.500 0.853 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 748557461 KCWLUMWEEBFJBI-UHFFFAOYSA-N 443.504 0.300 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(F)c2I)CC1 749921975 SNQIJADTARJKJX-UHFFFAOYSA-N 429.233 0.938 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 752624794 XZRRDPUWEXBULM-QGZVFWFLSA-N 442.516 0.340 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758077177 SFRXSNFOILSYRN-CQSZACIVSA-N 427.530 0.149 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 758093699 XDILMSAGZNXVOX-INIZCTEOSA-N 429.546 0.488 30 20 ICED C[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NS(=O)(=O)c1cccnc1Cl 760572681 DSEAFRHHXGOTMF-WYFZMLARSA-N 441.897 0.435 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2F)CC1 762189258 ADLQDOQFHWFJKW-UHFFFAOYSA-N 429.233 0.938 30 20 ICED C[C@@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)NO1 765380286 ZKFQMJGNHGTNBR-ZWNOBZJWSA-N 437.927 0.660 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc[nH]n1 770836728 ZTSWHKHURDVBML-LBPRGKRZSA-N 437.478 0.942 30 20 ICED C[C@@H](NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 772983315 LAXQSFLIWIOALA-FZFLATATSA-N 434.518 0.885 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)[C@H]1CCS(=O)(=O)C1 773654659 DFFPCGBQBDFXQM-HNNXBMFYSA-N 436.440 0.953 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 783481971 SHVUIXJQGNFDPL-OAHLLOKOSA-N 449.510 0.469 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 785164421 LMUVKDCVLRVXBI-UHFFFAOYSA-N 437.518 0.964 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)n1 789787660 AYHNKNNUVHCFPD-IBGZPJMESA-N 440.456 0.459 30 20 ICED CC(C)[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 794522839 FFPFWCFXCAFPHC-GFCCVEGCSA-N 431.515 0.145 30 20 ICED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 802143743 ZMBGKYFCXJVXKB-IAFNSTAXSA-N 435.506 0.569 30 20 ICED CS(=O)(=O)c1nnc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 803218408 WZDSHONVXWJYST-UHFFFAOYSA-N 430.489 0.114 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 810271004 JLJVKIYTJCOOBK-UHFFFAOYSA-N 431.436 0.972 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)c1cn(CCC#N)c3ccccc13)c(=O)n2C 825369808 DVZGBCXSMPLNSU-UHFFFAOYSA-N 448.439 0.728 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)o1 913173567 IMEXLMZLLCWGIE-GFCCVEGCSA-N 433.442 0.880 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)N(CCC#N)c1ccccc1 914655877 RDNXYJJYTOLHMC-LZLYRXPVSA-N 447.513 0.901 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)o1 915377539 PCGLDUKYZNLEKD-OAHLLOKOSA-N 429.477 0.838 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnn(C)c1 916821313 INAWIYTWTDROLT-CQSZACIVSA-N 439.519 0.523 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 918798190 LBQHHYXHCRLZNN-IIYDPXPESA-N 445.925 0.919 30 20 ICED Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ccc(C#N)cn3)CC2)c1=S 1115878835 MGYPBUNECLHJPM-OAHLLOKOSA-N 433.563 0.900 30 20 ICED COc1cc(C=NNC2CCS(=O)(=O)CC2)ccc1OCC(=O)N1CCOCC1 1116484042 ZTGNVPJYKQUPIQ-UHFFFAOYSA-N 425.507 0.434 30 20 ICED Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC23CCOCC3)cn1 1183496417 YUFJPDMLABWPRA-IBGZPJMESA-N 443.529 0.993 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286620338 JQBXRIIIBRANJI-PWSUYJOCSA-N 431.906 0.910 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 1288983203 MNSALXNPSMAUJU-UHFFFAOYSA-N 429.525 0.926 30 20 ICED Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cnn1C 1304104493 JMLWPNMFXJLRPM-UHFFFAOYSA-N 440.533 0.989 30 20 ICED CC1(C)CN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C[C@@H](C(F)(F)F)O1 1335317168 VTKKEBGASHXRST-INIZCTEOSA-N 447.506 0.988 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2F)C[C@H](C)O1 1347319253 CTDCPHFHVWTZII-GJZGRUSLSA-N 441.529 0.687 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1663336887 KDIOUGSPBXIERQ-SNVBAGLBSA-N 437.341 0.657 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCOCC1 1707912111 UPIIEEWAZOJIGB-IRXDYDNUSA-N 425.541 0.932 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1731004386 PJAMCKFSCSIFHA-MRXNPFEDSA-N 437.547 0.875 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCNS(C)(=O)=O 1763043827 JAWKUCHHCPVHIW-CYBMUJFWSA-N 431.526 0.081 30 20 ICED CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768291285 JAVZPBGWTRUMPP-OAHLLOKOSA-N 447.569 0.718 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1770460969 NUBBRWHIQJKMOS-OXQOHEQNSA-N 447.517 0.156 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778352838 YHYODBCLFWNXKA-QHCPKHFHSA-N 432.565 0.749 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779104291 IDZHIVFGDRRBGD-KABCZVCOSA-N 442.476 0.702 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCN(C)CC1 1779139474 DSUARLDLWRURIB-ZOFPFIKPSA-N 431.537 0.164 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779203701 NNMMGBKOAGSPGU-WRWLIDTKSA-N 433.465 0.078 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1781785033 PDNSXBMXFXGQHO-QHCPKHFHSA-N 436.468 0.511 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1782192848 XAFAIUSLFAJINQ-NRFANRHFSA-N 435.444 0.812 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)c1 1782750028 CSHBMJQFCOTKSM-IVZQSRNASA-N 442.472 0.300 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783397038 SSLTUMSOVZIOGH-NRFANRHFSA-N 437.541 0.623 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[C@@H]2C1 1783468604 ISPALVRETQMJIY-OLMRKFRDSA-N 447.488 0.017 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C[C@@H]21 1783531068 ANBZPFAOCQVINZ-UVWMWBFKSA-N 435.912 0.525 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784925669 TWCGZSGWHVJIKH-KOIKXXGWSA-N 426.473 0.087 30 20 ICED O=C(COc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785147165 RRWPVOCKJMHORB-RZIYSJGESA-N 446.504 0.969 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1785574229 CBMSJYHXTFTWHE-HOIFWPIMSA-N 436.553 0.731 30 20 ICED CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1787669020 ALLKFWGVPBZGBH-ACJRDWDUSA-N 448.524 0.981 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681040 JVRWZNFUUNVNRM-INUKELLVSA-N 425.507 0.113 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)[S@@](=O)c1ccccc1 1790601038 SGLNMCITBYKLPK-XYEDJNQMSA-N 432.498 0.250 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1791132353 JMFQHTOAJAJOBX-CGBFIWBNSA-N 446.610 0.990 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1793351677 BQCLARFNBUHGBF-QUXXCFOZSA-N 433.549 0.960 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1793832037 QHZLQVDTDQSLHC-QKPAOTATSA-N 433.513 0.781 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 1793896084 NSXORMQACXPSRD-JWVYWZTKSA-N 431.558 0.734 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)c1 1795449854 MRVYSDLUBOXPGB-UPHUGPLXSA-N 426.473 0.392 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598908 FJSXFWSFOQERRG-HGKCTWBKSA-N 448.593 0.823 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c1 1796349152 DUFMMXDRFSFPCJ-DRXBFXEBSA-N 427.392 0.416 30 20 ICED O=C(CC(F)(F)C(=O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796351299 BZGVPNAXJXHODZ-RMFOBOGVSA-N 433.408 0.215 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797691199 SCFHBQXVVKCYMB-REGYPHIPSA-N 446.935 0.989 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)C1 1797781344 XHNCYDOMMMGEQO-BKZNIZDZSA-N 446.544 0.864 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797786172 PFRLWDKJDSEDHA-YRPNKDGESA-N 436.505 0.839 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1797786908 OCUPMMKHRNIGGL-QEOTZNIISA-N 430.523 0.025 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815680 TXHAMQUQLCWBTC-ONCPSPAUSA-N 434.497 0.033 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)ccc1Br 1799707983 GDOZJQBIBHBPMB-YWVIFJGQSA-N 449.309 0.007 30 20 ICED Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)n1 1801992356 HDKDZBIPKYWRBT-VPTLXERWSA-N 425.445 0.461 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802475480 GSXLKKJYXGPROS-FLNVOPPSSA-N 442.520 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802475483 GSXLKKJYXGPROS-KSALOMHHSA-N 442.520 0.217 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)C2)cc1 1804942797 CTXMFGHLGOLXKW-IBGZPJMESA-N 425.533 0.925 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1820892836 GBFRHTANXFEFAJ-ZIAGYGMSSA-N 446.464 0.509 30 20 ICED CN1CCN(C2(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)CC2)CC1 1822202077 CLQPKPQVIBAWAN-MRXNPFEDSA-N 428.493 0.270 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829643824 RVYMUMJIHKYJID-GSUMYJRQSA-N 441.475 0.737 30 20 ICED Cc1ccc(OCCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830207505 QPXCKNDJNXXUOU-QFIPXVFZSA-N 430.457 0.308 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCc1ccccc1F)CCO2 1830698022 AZXTVKQCEQRTIB-QFIPXVFZSA-N 432.448 0.693 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831386949 CEKXLBHPHSQHLA-MBSDFSHPSA-N 440.500 0.372 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccc3C)C2)C1 1831387330 OQARRSFZFAAAKY-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831424100 DOCKUZVBRPGSLO-NSXLHWASSA-N 443.544 0.748 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831881503 SNDYVILWYRCOKU-JOCHJYFZSA-N 433.505 0.438 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832150885 NKRNTCGRCGSYBJ-HOTGVXAUSA-N 426.457 0.675 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1832455937 CUUZBOZCEPHHHV-DNVCBOLYSA-N 428.555 0.070 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832880188 BCDNUPXBPORODB-VGOFRKELSA-N 432.521 0.803 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cnn1C 1834424851 KWCHORAOSZDPHK-OMJZWIOZSA-N 449.508 0.328 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665481 GBEIPQTWVFGDFP-OAHLLOKOSA-N 430.486 0.495 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1)C(=O)O 1834740396 KAXYBSDPXCECDE-AEFFLSMTSA-N 428.599 0.575 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835069701 WNRZGCSGEMUGLP-AWEZNQCLSA-N 431.493 0.111 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835167387 QRGCRYCOGPYALX-SBUREZEXSA-N 444.484 0.453 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(-c5ccccn5)[nH]n4)C3)C2)CC1 1835344846 YZNBHOJNYMDROS-JOCHJYFZSA-N 436.472 0.845 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835361216 GDNHAAOECORNQJ-JOCHJYFZSA-N 438.488 0.950 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835712799 DHCPKNPRZFSSPK-LJQANCHMSA-N 434.581 0.754 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835964530 PLYOKRYCFIZDMA-UHFFFAOYSA-N 433.509 0.810 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866210 AZVXTCNJAYKEES-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837503480 VLDOKXDASLFGSX-KLHJMIIUSA-N 440.493 0.150 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564318 HJCYJDXSJHUGLX-XBSIZZRFSA-N 444.492 0.083 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567658 RGWGARBLIKRAMY-ICILYHDOSA-N 448.520 0.460 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535113 UPUCOMJKFVQPGJ-LJQANCHMSA-N 425.432 0.667 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1)c1ccccc1 1839163227 FOOCDUMWTFVGIR-ZCVJKFOLSA-N 441.528 0.775 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1 1839173534 WUUHZOSPBGIHOW-RRMPHLOHSA-N 426.510 0.359 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1839175265 YJYXWUNXYGPQBB-QFIPXVFZSA-N 447.488 0.670 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)ccc1F 1839187291 URCNVALWEYLHHD-NRFANRHFSA-N 427.436 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559523 MPYHOQLFYRAQIB-JTSKRJEESA-N 426.473 0.443 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2C1 1839620514 HPPGHSPXSXZRMB-HSZRJFAPSA-N 441.532 0.202 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(C#N)c1 1840162851 JOTKXJPYQXLHGP-QVKFZJNVSA-N 433.530 0.884 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840455635 RXRNJIBMJQDMKA-HTAPYJJXSA-N 428.489 0.999 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c(F)c(Cl)c1)CCO2 1840755766 VCIDEAJBUGENSG-LJQANCHMSA-N 442.802 0.776 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1840841938 CXMYPERSBQAUIT-OAQYLSRUSA-N 426.477 0.225 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)CC1 1842884062 RUXXWQFNPQDIPI-UHFFFAOYSA-N 447.540 0.214 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)CC2=O)c1 1846194536 NTWBDFHSSNNJGF-OAHLLOKOSA-N 425.441 0.340 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846203767 LCUCGADQMLEHBK-XSWJXKHESA-N 447.488 0.037 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1847000829 ZNFIZAJTJJVVJD-MRXNPFEDSA-N 449.552 0.945 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1847069743 SGJYZGUHCKULIV-SFHVURJKSA-N 448.564 0.829 30 20 ICED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 19027375 PVTPETYGNHACOH-UHFFFAOYSA-N 436.486 0.541 30 20 ICED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 60629534 HNHDJRRCCMGIIB-UHFFFAOYSA-N 427.486 0.785 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 439217767 SKYSXXFLCHQCGH-SJORKVTESA-N 434.518 0.701 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)n2)c(F)c1 439974107 PCPZKAFRARSFCV-UHFFFAOYSA-N 443.357 1.221 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1=O 440261011 WKLNSXRATKNBKY-GOSISDBHSA-N 428.489 0.872 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCN(C)CC1 440392846 SITWCGBAZJIPJM-UHFFFAOYSA-N 425.514 0.670 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 447367665 NRTUZEVJZDDAPP-HNNXBMFYSA-N 430.490 0.812 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465466795 ORGJHYXDQLJRHO-AWEZNQCLSA-N 442.501 0.566 30 20 ICED CN(CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 477830709 VHTOMKVAKQLHHF-UHFFFAOYSA-N 447.561 0.239 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1nc2n(c1=O)CCCC2 480490231 ZHWYYISADFYGAT-AWEZNQCLSA-N 432.506 0.126 30 20 ICED C[C@@]1(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)NC(=O)NC1=O 488257917 CSHQWPOGMFYUMU-VGSWGCGISA-N 438.488 0.679 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 489172955 XDYNBIZBORGXHJ-YOEHRIQHSA-N 440.547 0.252 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1C 502056168 HOBMYSJEHKJFFW-UHFFFAOYSA-N 437.525 0.515 30 20 ICED C=C(C)CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(CO)o1 512192325 DLNJXABMAQIRIY-UHFFFAOYSA-N 434.537 0.153 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2cccnc2)c1=O 512775801 CPKFUXGIBMDUOZ-UHFFFAOYSA-N 434.525 0.546 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 518216958 RYDOPLWWZDUDJZ-HNNXBMFYSA-N 428.536 0.341 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 520505586 SWRHFRGBRYYSLY-UHFFFAOYSA-N 427.486 0.872 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 530318070 FYLHFCIFKUWYOM-NSHDSACASA-N 449.891 0.686 30 20 ICED COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 541627404 WWQGVRKZVBWZNL-KRWDZBQOSA-N 432.502 0.961 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 558994451 YBPIEPCENRAENX-UHFFFAOYSA-N 440.508 0.675 30 20 ICED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 561706562 HIJLHMZKKNSONU-RTBURBONSA-N 434.500 0.974 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 564615787 CZEUCEUSKLJZKV-UHFFFAOYSA-N 447.415 0.729 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 570611144 UHJTXPIPCPVVOS-RBUKOAKNSA-N 428.514 0.588 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 588775434 HMXFJTGBRBZMGE-WOJBJXKFSA-N 430.505 0.139 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 590215435 HRXNKOBYBPIHJT-LBPRGKRZSA-N 429.296 0.799 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 609739291 RNKFOZRQERPZBH-UHFFFAOYSA-N 442.516 0.571 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609955202 LKDRPWWBDVKFHY-DZGCQCFKSA-N 431.518 0.873 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 613103400 CXKRWEGBMUGSMD-CZUORRHYSA-N 447.459 0.430 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccc2nc(O)[nH]c2c1 729539964 MJVDXVUJNYDCQX-LLVKDONJSA-N 443.441 0.989 30 20 ICED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 731926760 DPPSKTDXAUNITD-UHFFFAOYSA-N 443.551 0.106 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 732089861 QZMZJXXLDSULLL-KBPBESRZSA-N 433.494 0.253 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 732958591 PDMSEEUHYURPQC-UHFFFAOYSA-N 431.290 0.798 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733884995 OKDDTDRFTHDYQP-VXPUYCOJSA-N 448.501 0.445 30 20 ICED CCN=c1nc(NCC)n2c(SCC(=O)NC[C@@H]3CCCN(CC#N)C3)n[nH]c2n1 742184641 ZUAGYVNHCDLRLW-ZDUSSCGKSA-N 432.558 0.249 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)c1 743919714 LWNHPITXOYUEPO-VKWHMPGMSA-N 433.534 0.791 30 20 ICED COc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)cc1OC 745981754 RAECYVQCBKEMER-UHFFFAOYSA-N 432.458 0.870 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746148383 BAJOJXUNCXWNMN-ZCXUNETKSA-N 435.481 0.098 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)c2ccc(S(=O)(=O)NCCO)s2)C1=O 751669521 WQRYSQNOLXSEQF-NSHDSACASA-N 441.512 0.914 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)ccc2Cl)c1=O 753788705 OGWSMTJHBXEJET-UHFFFAOYSA-N 443.337 0.792 30 20 ICED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 759177091 YDCNNEXOOAVOSD-UHFFFAOYSA-N 438.502 0.883 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761043730 YCIKPPGCTUAPAG-UHFFFAOYSA-N 426.470 0.987 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)nc1 761855581 PMERKEGTKKJMMK-UHFFFAOYSA-N 433.555 0.776 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 764295722 XYGJQOUDQAAOQU-IKBYJFNHSA-N 449.489 0.101 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765842257 UQAHTVQKYUYRNZ-UAFUQJIBSA-N 426.473 0.489 30 20 ICED COCCN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 768879522 XQLDUGGAIZHEIF-FXBPSFAMSA-N 437.522 0.822 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1CC1CC1 771556673 NHGYQORTBLNLEK-HNNXBMFYSA-N 431.522 0.997 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1cc[nH]n1 772545437 DFWXGQXEIWOBEU-OCCSQVGLSA-N 434.453 0.569 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 780302687 SGQWWFIXYPQPLO-UHFFFAOYSA-N 448.448 0.833 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)n1 789787921 NUGGRENWMGZTQG-UHFFFAOYSA-N 440.504 0.670 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)c1 792414298 YDFFBYWOKNSLFM-FSXJBPCSSA-N 434.518 0.933 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C(C)C)c1=O 794581171 ITNIBLYSHHSRJR-UHFFFAOYSA-N 438.513 0.870 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)o1 796141122 IFAJGKILNCZLIA-UHFFFAOYSA-N 448.413 0.749 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797034534 LTNITJVYAKDBHE-UHFFFAOYSA-N 429.412 0.989 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C(C)C 799273640 ZAZWKTLYKUARCJ-QAPCUYQASA-N 449.529 0.973 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 799284612 KMFDCBBZGZQQAW-CYBMUJFWSA-N 444.225 0.907 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 799782227 ZTAYBJHWBJTKHB-ZDUSSCGKSA-N 444.535 0.728 30 20 ICED N#Cc1nc(F)ccc1OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 808044792 IDMFRKIBEXAHSR-UHFFFAOYSA-N 434.449 0.808 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cccnc1C#N 813167788 DEOAMISJSNLXRE-INIZCTEOSA-N 437.499 0.778 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839303988 VYTRTZYVGKYMJS-UHFFFAOYSA-N 435.509 0.767 30 20 ICED COC(=O)CCNC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 844146275 BNIMXUXABIRUHP-UHFFFAOYSA-N 444.469 0.657 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 862424621 VZBSBGIOGPJDEC-CYBMUJFWSA-N 447.469 0.256 30 20 ICED C#CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 915314447 GNRWXDAMMRYOTP-UHFFFAOYSA-N 435.550 0.604 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3nnc(O)c4ccccc34)CC2)o1 915379209 YYAHCECNCGJFEM-UHFFFAOYSA-N 436.428 0.938 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 916440742 QFZGLWFJIHXDTB-YGMPWRRSSA-N 428.536 0.862 30 20 ICED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916895914 WOJATHNDDXAYAN-KRWDZBQOSA-N 432.502 0.578 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1286969137 OGLLGSNRPKOFBS-RHSMWYFYSA-N 434.522 0.961 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)CC1 1323534409 XHZWFIAUFNUMFZ-AWEZNQCLSA-N 426.495 0.569 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1504538879 XSEGUURLXHOVMM-JOCHJYFZSA-N 440.504 0.700 30 20 ICED CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1588158831 ZXGFTEICWUQJJF-GOSISDBHSA-N 448.545 0.665 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1620352478 RTDSUKWNEDXTLW-FQEVSTJZSA-N 428.518 0.923 30 20 ICED CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1664280419 MPLFPTOWFROVDA-HOCLYGCPSA-N 442.538 0.110 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1740811227 OGYJYSOCHQFNPO-CQSZACIVSA-N 430.962 0.191 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1743095739 NNPHXCSDXCYPRB-OWCLPIDISA-N 425.559 0.349 30 20 ICED COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1748663412 WHBFGQCAXBWFLS-QGZVFWFLSA-N 445.549 0.679 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1752447266 LTSNTJSJPLKNJX-CKFHNAJUSA-N 432.506 0.538 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1760301070 RCSHVHCIRMNAIY-WDEREUQCSA-N 435.348 0.512 30 20 ICED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1763499825 TZRYKIHEGFPVLB-PXNSSMCTSA-N 431.518 0.982 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@H]1SC(=N)NC1=O 1778078416 TUGIPEZIVNESPM-DNNRVTFUSA-N 432.546 0.716 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779178112 ZVHLBZSPCVYFLO-DKICVRJWSA-N 435.550 0.379 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1779336651 SNKHGRWSDVKAAJ-KGWSRGFLSA-N 441.525 0.138 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1781096920 VRFDQHJAMMVZIA-UZUQRXQVSA-N 443.523 0.777 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854208 RCELMCXDCDZQJT-STXHMFSFSA-N 427.498 0.251 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1783054237 CQUIDXMXMIOGGR-DBHNTLKXSA-N 433.505 0.474 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783189297 YGNNPGWCHGJNRO-IFXJQAMLSA-N 447.479 0.913 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1783196934 CYLUTFXRYKJSAS-YJBOKZPZSA-N 432.420 0.523 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c(O)n1 1783285060 ZRFNEEWFGGPVCV-VGOFRKELSA-N 445.520 0.702 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1785079915 REIONUPYWOSBQD-YBOAYWMSSA-N 444.488 0.822 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccnc4C(N)=O)[C@H]3C2)cc1 1785515518 VRWKPPKVSYIIPK-IHPCNDPISA-N 447.495 0.888 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)c1ccc(O)cc1 1786809473 AIMBIKDCCWCXEE-ZULIPRJHSA-N 441.532 0.352 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787453353 YQJPXGDTJMUNEF-UGTAXJHQSA-N 425.529 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790545969 RCHLPIAZXVQUNT-ITJSPEIASA-N 438.528 0.771 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790564412 RADMYTQCLIOQJB-SZMVWBNQSA-N 444.536 0.376 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790584474 AWNAQGGSBXCXOC-STEXWYFWSA-N 442.516 0.218 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652337 KJULZXGBTLUWLB-OVWQWFNUSA-N 448.476 0.327 30 20 ICED 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)CCO1 1793082972 NCYGFOSLWFBSGN-QMHWVQJVSA-N 443.566 0.530 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1793340898 QIOUZRIZGZLVNF-PHXBYCTMSA-N 435.484 0.780 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2 1793342699 MDFPNOZDOPCENR-JRATXPSKSA-N 431.880 0.853 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1793350024 WHCDVXWQHPJKQF-NTNQKNOYSA-N 433.436 0.904 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1793533208 YVJCMZBYQJICBI-JONQDZQNSA-N 427.571 0.234 30 20 ICED Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793885937 DFQNRRIFUSBZQO-HNNVEQLNSA-N 434.493 0.953 30 20 ICED 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[C@@H]3CCC(=O)N3C1)C2 1797713970 FECJQRHBMUAOET-CZLFUSQZSA-N 433.549 0.550 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1798472092 ZKHFVIAFORKCQJ-YRPNKDGESA-N 448.516 0.818 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799149667 QKTDLVVVGHLACV-CURYNPBISA-N 447.532 0.486 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1800547342 OKGNKIBSXCKIKN-YALNPMBYSA-N 439.463 0.258 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1800992662 RJWKRRRJAJQEHV-XEMDLRDOSA-N 433.530 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358088 KDCCIVUOZZAYOB-MUJYYYPQSA-N 446.460 0.904 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1804644358 MHOHDOBKSYZBFJ-KLCWCRIBSA-N 434.500 0.979 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1808835840 BVUVCDIYRJGFMH-IDHHARJASA-N 444.492 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1811192669 GGOGERJCAWZSBV-RFWKKBFOSA-N 435.484 0.893 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1814971298 HTTPATVUANJCKA-QWHCGFSZSA-N 432.550 0.863 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817247870 XYUUSPBRJSQOOQ-XUYYYJLXSA-N 429.481 0.707 30 20 ICED CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770928 SKIZRHPGQXFQEI-MDBUFAAASA-N 441.579 0.962 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)c1 1825455018 FYMOWMNWRCDVNJ-SFHVURJKSA-N 447.513 0.806 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCN2C(=O)OCc1ccccc1 1828994391 AMCSUQGWGZXXRZ-JOCHJYFZSA-N 437.456 0.814 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632150 RFDGAWQHBTUPCR-QFIPXVFZSA-N 438.488 0.688 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829765115 HBGMLRKSEUSNOT-WWOHXHCDSA-N 437.496 0.353 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830417757 HNXMIRCWPWWBTK-RDJZCZTQSA-N 438.525 0.950 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830576089 UATATIPLPZBDGJ-FQVRHNBASA-N 432.904 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831392915 IEQGNIPGNCABMI-OLSDNLPYSA-N 446.525 0.982 30 20 ICED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487700 DWWAVVLRAIZZKQ-QHCPKHFHSA-N 441.572 0.944 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831492672 MSJIQUJQEWMQLE-UAOQYHQXSA-N 426.583 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1833469286 PONKBYAOJOUPJS-HNNXBMFYSA-N 425.551 0.414 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834130811 HWJFYAQEQBPFRI-KKSFZXQISA-N 434.493 0.961 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(CO)on4)CC3)CC2)c1 1836187726 CFIHWNBMPRECOH-UHFFFAOYSA-N 426.477 0.866 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)c1 1836893335 MPWDMXFHQMOWJM-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2)C(F)(F)F 1837288492 GVYMLBWQLIZLNX-JEWRLFTDSA-N 431.455 0.902 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1)C(F)(F)F 1837319495 AHLGPYSFALFBCY-CQSZACIVSA-N 448.316 0.667 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837466571 BPNJNNXWPNGURK-OAQYLSRUSA-N 445.545 0.112 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524678 FLFNUBXTHWACIN-IQFRNVLWSA-N 437.493 0.010 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524705 GHUHHNDPYDAXIP-LTSQEINCSA-N 427.498 0.254 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837682008 LWHRLKNTFYRNSE-UTKZUKDTSA-N 435.546 0.785 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1838042009 LLLGKAFJSPUYJH-QFIPXVFZSA-N 446.552 0.334 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c1 1838579000 YEQPXCQVRRTIAG-QFIPXVFZSA-N 429.473 0.673 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839074581 SYTGVBAZRKUXSW-LIRRHRJNSA-N 431.555 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1839173124 BDZVSRWOSDBTPQ-AVRDEDQJSA-N 438.521 0.911 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1839174283 QTHBGNJIDSVPRS-OAQYLSRUSA-N 448.476 0.192 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223549 ZIKOZNKLKGCJLB-YWZLYKJASA-N 435.481 0.356 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572013 YXUVSKNLNVUZNE-JOCHJYFZSA-N 426.473 0.801 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)C2)C1 1839808135 LOGCSXBJHZXQBU-QFIPXVFZSA-N 441.484 0.535 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccccc1 1839859674 YXDILIRSZWUSND-QPPBQGQZSA-N 441.528 0.776 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c1 1839879952 ZZEZGZBQWJWEFE-QRQCRPRQSA-N 444.488 0.161 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840168013 BBCVRAZIAMZBFS-QHCPKHFHSA-N 441.484 0.891 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840485672 JBRHPJDNGTTXAB-ZDUIWUOISA-N 442.520 0.228 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840798669 AHKZGUJZEAXGSI-QFIPXVFZSA-N 428.489 0.567 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1840843797 LZWUKTYPJWXKLF-DUBROFONSA-N 429.473 0.626 30 20 ICED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1)C(=O)O 1843168868 CJMGRFKJGUJFIG-ZDUSSCGKSA-N 439.394 0.852 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1845251423 UBGGHMSVJHFPRC-GJZGRUSLSA-N 426.514 0.876 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)c1ccc(O)cc1 1845810879 OFOJCPVUCDMUAO-KRWDZBQOSA-N 441.484 0.636 30 20 ICED CN(CCOc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1)C1CCOCC1 410142999 OJZSARMKBUWWDT-FQEVSTJZSA-N 438.550 0.735 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)cc1 442240235 MUPFSPKCGVAXKD-UHFFFAOYSA-N 427.424 1.298 30 20 ICED Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446530007 GJBKGDXCOMEORX-UHFFFAOYSA-N 429.521 0.845 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NC(C)C)C1 460951636 LSLLOSKCYBJVHX-ZIAGYGMSSA-N 434.588 0.371 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462069095 BJSNYJMCVJHXJR-UHFFFAOYSA-N 433.490 0.871 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477226748 ZWLNWGJTBHPSLZ-UHFFFAOYSA-N 432.433 0.409 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 490406275 GJZXDAZGMNJULU-INIZCTEOSA-N 445.520 0.581 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cnc21 501855132 LQGGINVOHXSEMW-KRWDZBQOSA-N 440.485 0.605 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N(C)[C@H](C)CC#N)c(=O)n2Cc1ccccc1 505148876 NJQWYXHXSIQEPI-MRXNPFEDSA-N 438.488 0.815 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)OC)C1 508841385 QNJJFTDPQGJJLJ-MRXNPFEDSA-N 435.506 0.760 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN3CCCCC3)CC2)cc1 512394331 BXZNGXMZYWBGHG-LJQANCHMSA-N 434.562 0.922 30 20 ICED Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c2ccccc21 521951149 PDWYTEOJQKZBIY-UHFFFAOYSA-N 437.481 0.952 30 20 ICED CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527090156 GTFFQYQIGUYBKA-UHFFFAOYSA-N 441.492 0.994 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1C 532843106 FJKIFBHNPBTNDU-UHFFFAOYSA-N 441.431 0.843 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)n1 538030737 SEXJVIZTRFBJOH-UHFFFAOYSA-N 443.552 0.995 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542086226 UXUBWSABQJYEKO-UHFFFAOYSA-N 443.895 0.616 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 548289683 WBAPIFRGZUFZQX-OAHLLOKOSA-N 443.481 0.963 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNC(=O)CC3CCCC3)C2=O)cc1 557410138 XCRWHLZVQADCRH-IBGZPJMESA-N 439.516 0.588 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1=O 557717899 GQOUWZMGOVYKES-UHFFFAOYSA-N 442.881 0.020 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 559925065 SYNTYBMEXHQDPV-UHFFFAOYSA-N 436.534 0.716 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)CC1 569703791 CEXDVRZMLQTDFR-JXFKEZNVSA-N 441.532 0.833 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 569861066 RZZMDMVFSAHPNV-UHFFFAOYSA-N 428.536 0.157 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 571241320 VZHXJJBWHDBJPN-DNVFCKCGSA-N 440.500 0.966 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 578178263 KBCYGUFLZHSKAE-UHFFFAOYSA-N 432.487 0.525 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 579534328 ZMPBCMRESURKIQ-CQSZACIVSA-N 443.489 0.104 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 609815034 KGKHBSQFJWFRGX-UHFFFAOYSA-N 432.484 0.941 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1 610245045 DETFFLNMCGJHGV-UHFFFAOYSA-N 440.525 0.103 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 615154489 QCRCJYARHQRFRC-INIZCTEOSA-N 427.548 0.096 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(OC)CC2)cc1 674321164 SWFBRLJAUHVTQO-UHFFFAOYSA-N 438.550 0.659 30 20 ICED C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 726481679 VIBIYAXXRBDXBM-MRXNPFEDSA-N 427.573 0.499 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(CC=C)c(S)nc3c2)CC1 728608880 UZUWPEFIDHIYSE-UHFFFAOYSA-N 425.514 0.378 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674497 IORMGSAOVBFTRJ-UHFFFAOYSA-N 433.555 0.858 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 733148736 JZRKCKCQHYDMOC-OALUTQOASA-N 446.548 0.252 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc2c(c1)CCC2 743726932 YIFJDZGGMJAVQF-UHFFFAOYSA-N 449.536 0.480 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2Cl)c1=O 758059699 SPOPGORYJKCTHE-CYBMUJFWSA-N 445.928 0.859 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 761031268 PGRJLZRYFBIEFD-HXUWFJFHSA-N 434.562 0.834 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCCO1 773791046 BHSUTJVUNZTBFY-MPRODGEMSA-N 432.502 0.735 30 20 ICED COC(=O)[C@H](C)n1cccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 774588473 IUKAVBXYPAANGB-HNNXBMFYSA-N 434.522 0.999 30 20 ICED N#Cc1ccc([C@@H](O)C(=O)NCC2(NC(=O)[C@H](O)c3ccc(C#N)cc3)CCOCC2)cc1 780940374 ULNOWTACMPWKPM-NHCUHLMSSA-N 448.479 0.979 30 20 ICED CN(CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccnc1 787060383 MIYRIMWAHGHAHZ-MRXNPFEDSA-N 431.430 0.636 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)c1C#N 788104868 AFNIANZWVYJZEL-UHFFFAOYSA-N 445.524 0.328 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 789405599 ZBWOFFCKEBBSBM-CYBMUJFWSA-N 439.428 0.554 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)cn1 791288470 RCOXIQOAJNRDSW-QHCPKHFHSA-N 430.468 0.995 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 792469876 DCCOMBAVWSZJCE-UHFFFAOYSA-N 434.445 0.859 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)oc2C)CC1 797886360 RTAVBBDMYOGLSK-UHFFFAOYSA-N 436.446 0.754 30 20 ICED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 804992174 ZOBYCICQRBWNHR-UHFFFAOYSA-N 427.504 0.067 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 808902623 XZBNXQDCYSPMSI-UHFFFAOYSA-N 443.552 0.224 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 810982025 KBQBSFHCPPTONZ-UHFFFAOYSA-N 428.488 0.646 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 811805926 VSLXJYJSVKDJQQ-UHFFFAOYSA-N 440.469 0.998 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(F)ccc2OC)c1=O 812273725 HOBSWFFSNDKQAW-UHFFFAOYSA-N 433.505 0.979 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CC1 1251811219 ZKNQKMAQPWACES-UHFFFAOYSA-N 445.321 0.927 30 20 ICED CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1288037941 LTLSPTFBSHSHTR-UHFFFAOYSA-N 425.493 0.783 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1288170248 OGQVLLMAQUVSFM-HNNXBMFYSA-N 432.506 0.597 30 20 ICED CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N(C)C 1302808828 RLUVMPPZTXHOCK-ARFHVFGLSA-N 427.575 0.593 30 20 ICED C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCCCC1 1320672790 CXTHHPUTYJXZNH-RDJZCZTQSA-N 426.473 0.972 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1454881766 ZAOFKTXNNZFDEU-WBVHZDCISA-N 434.493 0.382 30 20 ICED Cc1cc(O)nc(N2CCC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1471857795 YYRQGNIHQVYJPF-ZDUSSCGKSA-N 430.490 0.314 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1541988016 KQZJCXSPFKLYSH-UZLBHIALSA-N 449.581 0.926 30 20 ICED CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552695543 PBPJAPPDQXZRSI-KRWDZBQOSA-N 428.541 0.445 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1593885513 NRELLAULPMRLOQ-AAEUAGOBSA-N 434.950 0.182 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1615844243 QKHSWVHHXMVTRK-KSZLIROESA-N 437.614 0.802 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1627170105 IQQVQYVROAGEBJ-UHFFFAOYSA-N 445.501 0.830 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1 1629991514 MFUOMRATCASYKU-MDASCCDHSA-N 426.498 0.953 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1698490345 SOZBZVMOWXFGIF-ROUUACIJSA-N 436.582 0.767 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1706075229 LACCLFHGABCKEL-DZGCQCFKSA-N 429.568 0.601 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c(OC)c1 1711774262 CSRWPQZLDICNDT-CQSZACIVSA-N 436.494 0.240 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712882655 JUTOPMSDKLWBDN-MRXNPFEDSA-N 440.595 0.901 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778384133 WCAMVAIOVXHNCW-QHCPKHFHSA-N 448.483 0.646 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778724096 CHGLVGYWFDVOBY-MBSDFSHPSA-N 427.501 0.947 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(Br)nc3)C2)C1 1780874039 GJNLIQLUOPHIQN-SFHVURJKSA-N 436.262 0.305 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1781693691 ZUKYFAROJSLULT-OIMFZILRSA-N 449.548 0.751 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963393 GTEVBBNBLYSUJK-NQIIRXRSSA-N 432.452 0.292 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1783531048 JGXGSNLKXCSVEM-YPHDOGSUSA-N 445.545 0.407 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1784479005 RZMALCBTAZLNIP-QAETUUGQSA-N 433.530 0.496 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1C#N 1785195913 DTRHNWRGOYAMKU-JOCHJYFZSA-N 439.472 0.665 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1791271143 HKCVCSIQTWUBEH-JPLJXNOCSA-N 426.517 0.983 30 20 ICED 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)OC)C1)C2 1792490077 JVTGTHNWEKJSSD-USEFFRPZSA-N 447.532 0.414 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1792964249 RIVKQWTUINKUFH-TXTZMMAHSA-N 434.537 0.447 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1793361254 HNBYEHPETXWAQW-VXHSXNFHSA-N 432.473 0.997 30 20 ICED N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccn1 1795611458 FFWXAINKRIIUEH-LHOFUHHFSA-N 431.493 0.200 30 20 ICED CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)ccn1 1796746134 ZJSZEWAIWIKERR-IZZQQSIFSA-N 442.520 0.525 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1C[C@H]2C[C@H]2C1 1797636373 ROPNFWSWEUESRA-OFHCRSGKSA-N 448.527 0.978 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1798394590 NFRRJGMDEZMQHD-MHORFTMASA-N 441.594 0.869 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751892 GNRZGJWIDLSIIU-WTLGNFPFSA-N 448.907 0.566 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnn2c1OCCC2 1799935137 DSIHIDATGIFHKP-XEMDLRDOSA-N 442.516 0.567 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)CC2=O)c1 1800982047 VOPFYXGTUYYSDK-PEJGYKSESA-N 447.557 0.956 30 20 ICED 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)S 1800990788 ZFEXDJGWOKVCET-RBGFHDKUSA-N 425.551 0.811 30 20 ICED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994604 WJCGQOFMQFOLGA-CLWJZODNSA-N 433.530 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1802476511 IWPQGQKMXMDTLC-FPWSIBOVSA-N 435.484 0.893 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1803553513 UESATWNLJMQMFT-LXGVVRJTSA-N 431.489 0.742 30 20 ICED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c(O)n1 1805138117 ZJVLHWPSJXCJQG-CRAIPNDOSA-N 426.473 0.931 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1815198237 CRECJQYWOMQLLE-GXTWGEPZSA-N 425.449 0.643 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H](NC)C(=O)O)CC2 1822922644 XVDLHVNUNRKCAK-DGCLKSJQSA-N 438.506 0.627 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826928397 ISCNHWTXIINBPU-AHHGJTGPSA-N 433.553 0.057 30 20 ICED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)[C@H]1SC(=N)NC1=O 1827671641 BXNOKBFFCVYUFE-DXCKQFNASA-N 434.518 0.497 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1829894288 JCRVKLSILKENHX-QFIPXVFZSA-N 437.537 0.294 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1830469616 CPEYPYYBJGWZCY-NRFANRHFSA-N 436.892 0.157 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831209327 VDIDPECYZNFQDJ-DNVFCKCGSA-N 432.517 0.836 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831281244 PGTIPXMZAQLLRY-OPAMFIHVSA-N 428.489 0.520 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831491092 VGPQVPORWAYEAR-VQIMIIECSA-N 427.523 0.845 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831492523 KWGFTFOHLDPWBV-BBRMVZONSA-N 442.456 0.503 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666160 VNCJVRRIBLGOBS-ZBFHGGJFSA-N 427.523 0.022 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022568 BYXZFCZKKNEYHM-MBSDFSHPSA-N 445.516 0.526 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833705321 DBOMKTMGXJVRQR-QVKFZJNVSA-N 438.500 0.511 30 20 ICED CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833888338 MZWLNQOMICEBSF-QHCPKHFHSA-N 443.548 0.996 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834821002 RRHVCHMSAASQDB-GOSISDBHSA-N 428.533 0.458 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccn(CCOC)n3)CC2)CC1 1835184488 CFFFMAXLWAUWDJ-GOSISDBHSA-N 445.564 0.753 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652961 WCPVXSJWLCNHCS-KDOFPFPSSA-N 429.543 0.260 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835667902 CXECVVVQORTEMM-HNNXBMFYSA-N 448.572 0.692 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050799 KONNAXOIXLHFHF-UHFFFAOYSA-N 440.548 0.954 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1837397836 WIZRMAHBWDJGPH-XMSQKQJNSA-N 434.537 0.382 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837400970 RVNIDGZQHIOUBJ-KSSFIOAISA-N 445.354 0.943 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837440831 AGOXFLHSAUMKHK-VZBSEDMKSA-N 439.900 0.870 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837441228 XOZIWPNCXMROIQ-SGCYSOCQSA-N 429.521 0.932 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491291 MQYINJWYYWWGPV-FDDCHVKYSA-N 449.548 0.008 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837559668 ARBXXCSRIBGMPX-WHEDMDOKSA-N 431.449 0.089 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561412 JPKHLCPAXCZBMO-YVABFXQFSA-N 442.472 0.872 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc(Cl)n4)C3)C2)c1 1838737975 IDHNKGYILROOGD-LJQANCHMSA-N 430.852 0.714 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951100 YKBXZOFVMHDZKG-UTKZUKDTSA-N 429.477 0.075 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084975 RYLQAGQHTDFQCI-ROYATCLZSA-N 425.551 0.162 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839173727 INKXMXOZVWUHES-QFIPXVFZSA-N 447.488 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1839176304 HCFNBPZCJBWEDK-GDIGMMSISA-N 432.876 0.877 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839225230 CJTLHFNYFUQFNB-RXPVHBRLSA-N 436.509 0.079 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1839810283 OWBKVNVYIUCPPJ-JOCHJYFZSA-N 430.480 0.527 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840294934 VJEBJLTWMIMKIU-HSZRJFAPSA-N 446.592 0.416 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457879 YFMZBLDSNLUIGT-GCJKJVERSA-N 432.521 0.439 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)ccc1[N+](=O)[O-] 1840757963 JHCUKBRVOLEQLP-FQEVSTJZSA-N 432.433 0.977 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2nnc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)n2c1 14300484 MRYIQIWPKNHFSU-UHFFFAOYSA-N 449.518 0.180 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 63656069 OWRAVPGNWNZYDV-OAHLLOKOSA-N 430.548 0.955 30 20 ICED CN(CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 435368211 GWJRQFSQBMBEEP-UHFFFAOYSA-N 441.556 0.971 30 20 ICED N#Cc1cccc(C2(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 435582190 BOJAMGYNTOPMQM-GOSISDBHSA-N 430.530 0.037 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436214465 ACGYTBPASWFXQX-MRXNPFEDSA-N 432.546 0.944 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 442029398 QZIUUKGFSQKRLC-INIZCTEOSA-N 425.445 0.202 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 460584827 NUEJOAZOVHCRCB-GOSISDBHSA-N 429.440 1.086 30 20 ICED CN(CC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 469284111 VTQKDJSGYPACMB-MRXNPFEDSA-N 440.547 0.205 30 20 ICED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c(OC)c1OC 474213665 PTQMXFKMVJTQCZ-UHFFFAOYSA-N 426.495 0.560 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(CC)c2=O)n1 477013417 XBPLNBZQRHOMRE-HNNXBMFYSA-N 428.514 0.522 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC)c2=O)n1 477026178 VEJHOYKCMURYPK-UHFFFAOYSA-N 441.557 0.391 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 478753754 MBSQKLDSLPIJEA-WBVHZDCISA-N 442.541 0.975 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1cccnc1 479384486 DGRKEJRICNDEAV-UHFFFAOYSA-N 447.520 0.756 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 480933203 JVPUKVKLJVCZAM-UHFFFAOYSA-N 425.495 0.907 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 488977205 IIIGSWOHOWYVKC-OAHLLOKOSA-N 442.493 0.590 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)c1 491426026 AWKAYNZFXNITMK-UHFFFAOYSA-N 446.471 0.889 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 494522466 HWMSJQRRWOATCE-HNNXBMFYSA-N 435.506 0.470 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)c1 501591845 DMLQFQMWOSVWCT-GOSISDBHSA-N 426.521 0.219 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cnn(CC)c1 505666836 YBGOXWGXDRSTKF-UHFFFAOYSA-N 425.518 0.187 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 507362085 UCJHTSUWVIONML-MRXNPFEDSA-N 436.476 0.874 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C 514497095 IDZLJHAOTNDLMA-UHFFFAOYSA-N 449.916 0.875 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)CC2)c1C#N 515343386 KGKAHRLDXPDBRX-UHFFFAOYSA-N 446.515 0.793 30 20 ICED CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 527087289 CQIFFJPEFTYDJS-UHFFFAOYSA-N 436.534 0.882 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 532506941 VWOCPJRFNCGSBI-CYBMUJFWSA-N 433.511 0.871 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 547419765 CNRFXKQYATUDND-INIZCTEOSA-N 444.517 0.058 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N1CCOCC1 550665985 SGLCKPUDXXJENE-OAQYLSRUSA-N 429.565 0.921 30 20 ICED CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 551189059 BGAWDSOXHIUHTA-ZDUSSCGKSA-N 435.893 1.229 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 553151751 OPKFRHNSVOAMLO-HXUWFJFHSA-N 440.548 0.266 30 20 ICED CC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 554157020 AAGNSCPLTMIJSV-SJLPKXTDSA-N 445.495 0.536 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 558778226 OBCOODGALATVIG-HOTGVXAUSA-N 448.615 0.351 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 566522845 UYHFDOXXBRBGET-UHFFFAOYSA-N 438.454 0.992 30 20 ICED CNC(=O)Cn1[nH]c(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[nH]2)cc1C 567003563 MTNBRCITJNVHKC-UHFFFAOYSA-N 440.851 0.069 30 20 ICED CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 568062616 JZFFSTIITFJBNM-WMZOPIPTSA-N 434.518 0.417 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 582081688 UWLCNPVZPYWFHY-UHFFFAOYSA-N 444.311 0.105 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 584245853 TXXWEKGEWGVFBZ-HXUWFJFHSA-N 429.565 0.414 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 610216587 SKWSEDWXEVSRIK-IBGZPJMESA-N 434.522 0.629 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 727406321 MIUDYBWDSSNETF-GFCCVEGCSA-N 436.515 0.511 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1 731726032 PVEKGNRAHSZUDK-IBGZPJMESA-N 436.424 0.621 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 733149314 FHKPSMBKZFZIBD-RGEXLXHISA-N 425.468 0.402 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H]1CCOc2ccccc21 742144687 STSYYMMOJGUTEK-SFHVURJKSA-N 447.520 0.820 30 20 ICED N#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 748320270 AGXCECKOMYAUTK-NVXWUHKLSA-N 446.529 0.975 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CN(c2ncccn2)CCO1 774626561 JPVMJXXYPOBODA-ZBFHGGJFSA-N 431.474 0.464 30 20 ICED COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2cn(Cc3cccnc3)nn2)NC(=S)N1 783937452 GOCFGKJSEZJGMO-MRXNPFEDSA-N 435.469 0.945 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cn2)CC1 786315197 WIXXRGWHEYUSJV-HNNXBMFYSA-N 445.480 0.223 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[C@@H]1CC(c2cccnc2)=NO1 790869794 IOGMBKOXQOMYAM-PMACEKPBSA-N 432.440 0.399 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 794645757 QPDNQMAHRRWVEF-CQSZACIVSA-N 440.477 0.730 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1=O 913144618 XUXHNEFMWYTQII-UHFFFAOYSA-N 443.479 0.488 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)ccc1F 914595432 QSMUBYGEGIHYKP-UHFFFAOYSA-N 433.527 0.834 30 20 ICED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916873323 SWCALKZZIOAKKH-CQSZACIVSA-N 427.479 0.554 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 917081266 YIROONIZUYOVTD-MRXNPFEDSA-N 446.533 0.716 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 917354313 PMSXBJOJDFVLFU-UHFFFAOYSA-N 448.888 0.899 30 20 ICED CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918470282 FGSGSUZDLBLHSX-XQNSMLJCSA-N 437.522 0.470 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc(OC)c1OC 918729738 IQULNUUFEDBFLT-UHFFFAOYSA-N 428.470 0.050 30 20 ICED Cn1cc([C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1212261663 LBOJEYISLOOXLB-HRCADAONSA-N 440.526 0.182 30 20 ICED CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1294839436 TYHMLRKGLAIEJC-KDOFPFPSSA-N 425.559 0.935 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1314674130 JHUAUSGXDVJVSG-INIZCTEOSA-N 445.505 0.349 30 20 ICED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1316536184 NBKRAHBKHZPAJB-JKSUJKDBSA-N 441.579 0.745 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)CC2)c1C#N 1337160255 PGBXGGMLRIHALC-CQSZACIVSA-N 446.533 0.222 30 20 ICED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CCNS(C)(=O)=O 1346076509 CTMUNJSWTBBGOG-UHFFFAOYSA-N 427.552 0.910 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1504532179 NRHBLNLROJUFCW-UHFFFAOYSA-N 425.493 0.590 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1545777400 ZJJFWPBOTNYJCH-DOTOQJQBSA-N 429.525 0.936 30 20 ICED Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nn1-c1cccc(C#N)c1 1556191817 RVMIUVXSWPZSEI-UHFFFAOYSA-N 425.474 0.922 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1566409862 NNHHQAGWTINIEW-MRXNPFEDSA-N 429.525 0.938 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1742283396 IUSARRMRDDYHRH-PXNSSMCTSA-N 447.517 0.444 30 20 ICED CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747416709 GGNDBMZGODTQEE-GOSISDBHSA-N 429.550 0.875 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1760301333 YITMSMHUWVMSHQ-IINYFYTJSA-N 435.348 0.499 30 20 ICED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1764823959 QPMGJRLEWNVOMW-INIZCTEOSA-N 446.533 0.878 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1777985014 VXOPBNSTKHAFCS-ONXXKREJSA-N 436.557 0.419 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ccncc23)C1 1778682333 UGLKCKAAQNMWJI-ZWDAVXSWSA-N 425.489 0.895 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1778973104 ZCWLGPMWMNGQHG-YCRPNKLZSA-N 429.477 0.452 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779021245 LSWBUHSTLRMBRZ-XOWGOQOESA-N 430.509 0.416 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(C#N)c1 1781175085 YIORDXQHMASARA-QFIPXVFZSA-N 439.472 0.873 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781839037 MGYKQVPNPFKGKI-TXTKFYIRSA-N 437.581 0.555 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)O)C1 1781995721 VCOPJERWXXEUCM-PEOGOYOCSA-N 437.537 0.798 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057446 QYFCSWYJIOQMLV-UTKZUKDTSA-N 430.461 0.375 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783110997 WIFOTTXUFNYQGX-OXJNMPFZSA-N 427.567 0.700 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789358675 IRPRQHIEAZSXJE-VOAKCMCISA-N 429.399 0.455 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1789953116 LOLVAHVWCOZMBB-XSLAGTTESA-N 426.583 0.816 30 20 ICED C=CCC(=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 1791274533 MBMUTOIIVAAOKQ-ATIWLJMLSA-N 437.537 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2 1792489469 YSKPNWAYDGLZEX-XXUKVSDYSA-N 425.485 0.438 30 20 ICED 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)C2 1793594962 HPOQUBSQHFSRCS-ZMMAXQRCSA-N 438.569 0.997 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)c1 1793835122 DIAAWGYGUBOZME-NYYTWLDWSA-N 439.472 0.069 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N(C)C(C)=O)C3)c(O)n1 1794490077 UUMCEWUSXYKYOF-REGYPHIPSA-N 444.532 0.976 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 1795599219 YVDKXSNGLKUMPT-MIFYACCESA-N 430.534 0.881 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1797915238 YPVNIBMMIPBGFZ-CEQLMSFQSA-N 434.581 0.733 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2ON=C(c4ccccc4)O2)C3)c1 1798692595 VCRLQADQXPTBGK-UTAOTPEMSA-N 435.440 0.824 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1799374166 YJZUTMCKENNFHI-HPNQWNLUSA-N 428.464 0.450 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1800547000 OXWNGDHZEAQJRA-QKPAOTATSA-N 432.420 0.282 30 20 ICED CC1=NN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cc2)C(=O)C1 1800778840 SGFYPLNMXIXGLU-VPTLXERWSA-N 438.440 0.090 30 20 ICED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)cnc2s1 1801980901 RVXIDRGOKMFNRA-MIFYACCESA-N 441.513 0.962 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819396511 XRYAQMUZQWGMPQ-QPNANDPSSA-N 441.492 0.799 30 20 ICED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029099 MUVIEYNRFJPAAO-HNNXBMFYSA-N 429.468 0.900 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1823515496 LXRLJMRDFDWPJX-OCCSQVGLSA-N 435.481 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1829765511 YUARZMGIINCXLD-RMUOZIPVSA-N 433.530 0.605 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=S)NCC)CC1 1831090285 WZFHPFXDBFSVBJ-GIFJBRJJSA-N 449.621 0.949 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831463336 CYDMLCZATYGPML-XLIONFOSSA-N 428.551 0.317 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096042 MSMZVXAORBRQJZ-AVRDEDQJSA-N 448.541 0.175 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354863 HDSWMVJWUAGAGL-KKSFZXQISA-N 436.509 0.756 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1835358420 BGSMMNQVMNFNDL-OAQYLSRUSA-N 432.452 0.914 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1835674671 CZYCVWMYFGOROK-AVRDEDQJSA-N 436.553 0.684 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)cc1 1835706779 REWRKHJALMDSJF-XUZZJYLKSA-N 449.511 0.918 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835970718 IVNFUNZKDKFEON-GOSISDBHSA-N 428.942 0.912 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1836199615 RLXAIIRZIJRGDF-OVRHDEQLSA-N 432.525 0.120 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836784887 UKNRAJCJARGBPH-QMHKHESXSA-N 441.484 0.290 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1837242872 MIPLIMMLSYOFFV-BCSOALRTSA-N 431.555 0.402 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccccc1 1837615974 RRUCHZIZWUWQIN-URXFXBBRSA-N 441.528 0.776 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033552 IOUSREUKRSNFJQ-IFXJQAMLSA-N 426.420 0.387 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)s3)CCO2)C1 1838155379 IUTYTRYHJINMQK-ACJLOTCBSA-N 427.910 0.905 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838195522 MPVCNTFAMLOPQD-MBSDFSHPSA-N 446.548 0.791 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839227572 UDBJLBHDVFOCKV-VFNWGFHPSA-N 448.476 0.681 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497099 SBKFDHVRRSOGKH-VGOFRKELSA-N 428.489 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c(C)cccc34)CCO2)C1 1839595684 NFPBPTPWVFPVIV-HXOBKFHXSA-N 440.500 0.980 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1839807356 URBSYHDSYTWPEH-HRAATJIYSA-N 431.514 0.186 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1)C(F)(F)F 1839892864 INVCBXIAHAPXQM-RDTXWAMCSA-N 443.426 0.852 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840293708 QGFGEVGIWGUHRW-JOCHJYFZSA-N 425.489 0.993 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840819539 QIKJGQYIHLEREX-JOCHJYFZSA-N 439.472 0.290 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)CC1 1845137437 UXBHXTJAGPZVJC-HNNXBMFYSA-N 434.541 0.017 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847109952 ASVRGEVEEWSWNR-OAHLLOKOSA-N 435.525 0.555 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 9801299 LXTXEPDVTMHWFX-HNNXBMFYSA-N 432.458 0.984 30 20 ICED CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 26708332 HTNKILIVCCHIAX-OAHLLOKOSA-N 445.545 0.980 30 20 ICED CCOC(=O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31255438 LTDVHAIOIBXJED-GOSISDBHSA-N 448.545 0.809 30 20 ICED O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C(=O)N1CCN(CC(F)F)CC1 64303607 MTJDXANUSQMXKI-UHFFFAOYSA-N 443.476 0.505 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 410120842 MQYNOWSKACEYRT-AWEZNQCLSA-N 428.536 0.184 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)C1=O 440279715 HOBKYKXLHHDMLF-MRXNPFEDSA-N 434.518 0.620 30 20 ICED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)CC(C)(C)C)n1cnc(C#N)n1 442816947 LKOBJFMRBJPURI-RDBSUJKOSA-N 426.485 0.472 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)cc2)c1=O 461370902 KEKHPYIGLVQEEH-UHFFFAOYSA-N 425.510 0.604 30 20 ICED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 476557444 ZTZCSPSNCJSUDS-MOPGFXCFSA-N 445.497 0.646 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccon1 480923185 ASPKEAJMCMGMMJ-UHFFFAOYSA-N 430.511 0.582 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 501984888 PJHZYRIXUQYCRK-CYBMUJFWSA-N 435.474 0.652 30 20 ICED C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1C1CC1 503755421 ZNAYFRDYOQQYHU-HNNXBMFYSA-N 425.580 0.765 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 509988363 XALMQFXZDDVPMX-JEYLPNPQSA-N 432.506 0.860 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 511423149 MPLIDMLDDLEGBR-UHFFFAOYSA-N 448.530 0.107 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)C1=O 516485298 FDOSEKWMAPYDFE-UHFFFAOYSA-N 447.455 0.639 30 20 ICED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 517189515 BCFHBQOZLGBQDZ-UHFFFAOYSA-N 441.513 0.463 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C1CCN(C)CC1 518714618 VRIFQHCIPSVEDH-AWEZNQCLSA-N 446.598 0.892 30 20 ICED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 519848156 VWHKFLSEOJUFQF-YWZLYKJASA-N 439.516 0.933 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1F 524396766 YHASEYFNSQZXEM-UHFFFAOYSA-N 435.423 0.664 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n(CCC#N)n1 533458184 LGAYYALFEQMDLZ-UHFFFAOYSA-N 449.515 0.777 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] 536116941 MWRTUFDTKDOUCD-UHFFFAOYSA-N 442.453 0.184 30 20 ICED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542932327 SJZIHDVDKJNTLH-UHFFFAOYSA-N 443.525 0.899 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 544161862 NGQUTSUMMCEEKJ-HNNXBMFYSA-N 440.460 0.567 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)n2)c(F)c1 546203088 ISLGTVUHVVWJJQ-AWEZNQCLSA-N 425.424 0.884 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)c1 552901136 JPWRCGMSQYAFJH-SFHVURJKSA-N 441.532 0.632 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)C1=O 559861735 BRXYDTIWIDDJLQ-QGZVFWFLSA-N 444.467 0.988 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2)c1=O 560052629 AOWKNLALGSGNNF-UHFFFAOYSA-N 432.444 0.125 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)CC2)c1C#N 563568692 UFDXOIWQDVKLCB-MRXNPFEDSA-N 439.524 0.615 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 570965366 KEVRPBJVLZIHDE-QGZVFWFLSA-N 441.467 0.311 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)CC2)c1C#N 576073151 MRPRMXBCAICUPK-APWZRJJASA-N 438.532 0.920 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ncnn3-c3ccccc3)CC2)c1C#N 577107907 WWMFCZZUDLDHSM-UHFFFAOYSA-N 433.476 0.146 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 577321006 SRGSTWLKRNPFDZ-UHFFFAOYSA-N 435.506 0.105 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3c4ccccc4C[C@H]3C)CC2)c1C#N 581900589 GVCKBPDTAUWQQV-MRXNPFEDSA-N 435.532 0.816 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 603888304 RDAGDSWVWWOADX-AWEZNQCLSA-N 428.536 0.280 30 20 ICED Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1C#N 609430692 MJXJNPDFCCOZOA-UHFFFAOYSA-N 441.469 0.739 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 729256536 UAQGXRGYKKNERY-QGZVFWFLSA-N 432.468 0.875 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1sccc1C(N)=O 729358503 WZYOEMFQNAEYMO-SNVBAGLBSA-N 436.471 0.567 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 732466989 RTJJLRZPOCJYAQ-XTPAXOCXSA-N 446.552 0.345 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(F)c2)c1=O 732663489 VCCAKOMJGPVJBI-UHFFFAOYSA-N 433.530 0.774 30 20 ICED N#C[C@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 732909015 VUOTUGVKDDTVEX-OAHLLOKOSA-N 425.894 0.816 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1OC 746180933 QZIRVURKUOPZAO-XUTLUUPISA-N 442.472 0.905 30 20 ICED CS(=O)(=O)Cc1ccccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749435715 HHRHRWCNQXXOBD-UHFFFAOYSA-N 435.527 0.976 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758053506 UMUUZCQNKSLPIU-UHFFFAOYSA-N 438.465 0.585 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 767625326 AWNRVPLLAFWGLL-LBPRGKRZSA-N 443.437 0.982 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 783461583 AWHZHOBCHMLHEQ-UHFFFAOYSA-N 440.481 0.683 30 20 ICED CCc1c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cnc2c1c(=O)n(C)c(=O)n2C 784366063 ICKDEEXIPHPXIQ-UHFFFAOYSA-N 435.400 0.172 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 785253142 FCMPQPRYKHHSDK-AWEZNQCLSA-N 431.478 0.335 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)C1=O 785643976 RCMHNHLMJDVHJB-WMZOPIPTSA-N 425.489 0.880 30 20 ICED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787352 JIJQRYAKDKOZJY-HDICACEKSA-N 427.553 0.498 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H](CO)O1 787905323 DSFYVKDQPKVYLX-XTZAVPODSA-N 438.506 0.046 30 20 ICED Cc1nn(C)c(N2CCN(Cn3nc(C4CC4)n(CCC(N)=O)c3=S)CC2)c1C#N 788045466 VXGUHJVMUOHBKO-UHFFFAOYSA-N 429.554 0.860 30 20 ICED CNC(=O)c1ccc(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 793188397 AEWKTVBKZGUPLF-UHFFFAOYSA-N 431.474 0.936 30 20 ICED Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)cc1C#N 793392602 OTGNKDYILLYSAG-UHFFFAOYSA-N 443.528 0.881 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 800101396 ZIAQPGPTDBPTFC-LBPRGKRZSA-N 443.425 0.418 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 800114871 JGDAEBIZAYYKNS-JKSUJKDBSA-N 443.570 0.866 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)ccc1F 804555702 SXWIZYMXBFEDBF-BFUOFWGJSA-N 438.481 0.883 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 816456749 NKMLXEZZNGHHBX-HNNXBMFYSA-N 443.489 0.813 30 20 ICED CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 916238786 GUJTYTGLUZLQQM-INIZCTEOSA-N 443.547 0.673 30 20 ICED CC(C)N(CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 917149741 MLTCVXDRLWXRHX-HXUWFJFHSA-N 449.533 0.502 30 20 ICED CNC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918441321 ZEYXZDUXWIJJMO-KQWNVCNZSA-N 437.522 0.470 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1306863607 NQRZWEHFECAJRM-ZDUSSCGKSA-N 432.424 0.896 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@H]1CCS(=O)(=O)C1 1318113342 JBHYRPCHLLIADI-INIZCTEOSA-N 444.579 0.331 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)F)n1 1511709494 FOMFJBNAAWXOIN-MRXNPFEDSA-N 447.494 0.698 30 20 ICED Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cnn1C 1611876218 NDSMQEAGHMOHEJ-GUYCJALGSA-N 447.569 0.155 30 20 ICED Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1 1629027749 RNWIJYACSXQQRU-HNNXBMFYSA-N 425.445 0.267 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)n1 1693433417 YMOPMXYJARCGHY-QGZVFWFLSA-N 433.538 0.693 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1706625373 LERAONBCRQIGAL-KRWDZBQOSA-N 443.483 0.643 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1731008201 YDTCSHAZIZMETL-UHFFFAOYSA-N 438.517 0.978 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1749853445 ZYVHOOCMHUZGCM-UHFFFAOYSA-N 433.476 0.638 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnnn1C 1764180567 CZEJHSCOPNDOJU-INIZCTEOSA-N 426.529 0.550 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778377336 YRCUUUFQTSWSTF-JOCHJYFZSA-N 443.504 0.711 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1779359193 WKKZIZBJKILTFC-CYGKLBIGSA-N 429.521 0.919 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181622 BOYJURCYUFHTGC-MAODMQOUSA-N 432.477 0.630 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597220 MPWJTTRJPJJUIJ-HJPURHCSSA-N 448.483 0.610 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780635901 FKMBMKKOPQOIDJ-VLVHOKLOSA-N 436.597 0.727 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1)C(=O)O 1781011580 VVTQKVPUVCWLJK-DNVFCKCGSA-N 442.516 0.943 30 20 ICED Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc2nccn12 1782350840 KBXSYNUWZIVOTK-QFIPXVFZSA-N 439.520 0.763 30 20 ICED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783133735 CGRXAJYGSJKBDX-DENIHFKCSA-N 428.489 0.587 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)CCC1=O 1784979866 XOWLGRAFXVOVMG-RXYBXQHJSA-N 432.525 0.046 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1785014811 RVIHSAHXHYEZNX-XSEXMBABSA-N 440.591 0.688 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1785362748 KAWSHBGNVSAIJV-PEBXRYMYSA-N 441.488 0.516 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1785708807 SLRJEXBDBHHFCP-KKSFZXQISA-N 435.521 0.912 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1cccc(N2CCOCC2)n1 1787656105 GEHKSNLRQKSSRE-ZJOUEHCJSA-N 438.528 0.925 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1788575481 KJHOSXQTMGJEBK-QZHFEQFPSA-N 429.517 0.952 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccc(O)nn4)[C@H]3C2)c1 1790588554 BIPVKWZBUMRVIX-BZSNNMDCSA-N 437.456 0.726 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)C[C@@H]21 1790790568 MMVDBYBMLWNYJZ-LNLFQRSKSA-N 437.500 0.589 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791283984 XRDDCWIFGWMGNF-UFJVTBDRSA-N 426.510 0.155 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)n1cnnn1 1792148427 FJOWTVOVWQOFCA-XPYUAMARSA-N 439.476 0.164 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1792171298 NPBNOJJUMKIXGC-XSLAGTTESA-N 437.537 0.655 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1792172661 AZZXBWDAWPKXID-SZMVWBNQSA-N 439.472 0.685 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793366682 QPUYVGYTQPMIIB-DEYWJSPQSA-N 433.530 0.371 30 20 ICED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793381514 HAQROLWAPFNGAN-XEMDLRDOSA-N 428.489 0.441 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793775856 OATVTYDHTZWCFZ-OHHNFCFSSA-N 433.549 0.958 30 20 ICED Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cn1 1795772353 IOYNNXALNRLIHG-BBIADKPPSA-N 437.500 0.893 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797249005 XYFMGNJQCVJUAQ-KGSLCBSSSA-N 425.529 0.890 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799048189 AHPDGNFQNLDRKY-NYCLONFESA-N 428.464 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1802476298 HBIYPRHBGQUCBY-RJQFULPZSA-N 436.472 0.755 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1803543399 BWXLYAJJCSPLEV-OXFYSEKESA-N 440.460 0.931 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1804175274 DLVWTPQLVLJVQN-QAPCUYQASA-N 434.518 0.550 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815599773 PVLPPWOTQHVMDW-GXTWGEPZSA-N 433.469 0.755 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817247272 YIUVPTIDVLJEEX-ZFWWWQNUSA-N 432.529 0.276 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634800 YUANBYWQYYLRGP-HTAPYJJXSA-N 428.489 0.082 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1829900838 PKQVQWCLCGSTCB-FQEVSTJZSA-N 427.486 0.722 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1831392391 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YBVHSCHLIXMYIL-UHFFFAOYSA-N 438.550 0.456 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525688 YUFWCYHRXYSNHB-PIVQEWKSSA-N 446.504 0.989 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837690104 KGCQFFXWOATEBP-UZUQRXQVSA-N 440.500 0.248 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn5nccc5c4)C3)C2)c1 1838737037 FRNKDMQUNWZPIE-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827043 NVBDHOKXIUJGAJ-FOIQADDNSA-N 436.465 0.566 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2)C(F)(F)F 1838835645 RVOHPDPTGFSYBO-KRWDZBQOSA-N 432.399 0.617 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)c1 1838906184 WIGPCGVWYBMPNA-FQEVSTJZSA-N 427.486 0.981 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559724 YLQFPBHRTXBNDW-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839699765 TZSHHUOQXDHUPN-VZRKHXGSSA-N 436.530 0.827 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C2)C1 1840042129 CCOXTSWMJMXOMH-FQEVSTJZSA-N 446.847 0.374 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840144979 RIAVVKZWFKDZDB-GSHUGGBRSA-N 435.521 0.972 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840407974 ACXKRZCYLXBOBU-NRFANRHFSA-N 434.493 0.295 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840431865 TXLJRCMDYMUBFO-FGSXEWAUSA-N 434.537 0.549 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840584750 WDXHEKAYMULIMQ-YDFXHXAFSA-N 435.521 0.118 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840819798 FSDDWYNSHJGGFQ-OAQYLSRUSA-N 441.444 0.136 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841298681 QVNSUQRBSZGBTB-QGZVFWFLSA-N 449.548 0.774 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847308767 YOJNVQPQUVPZTR-YSSFQJQWSA-N 432.484 0.911 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/N2CCCCC2)c1 1848326541 SRCDLOCAWDTQQZ-QVEFSTLPSA-N 433.534 0.772 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 26048581 HXSWJSFLVMLWDK-UHFFFAOYSA-N 445.501 0.291 30 20 ICED CC1(C#N)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 435931102 SHJRSSNQZKHYPN-LBPRGKRZSA-N 432.424 0.990 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 439376631 FZRUPPGBCLFNHA-INIZCTEOSA-N 433.476 1.332 30 20 ICED COc1cc(CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc(OC)c1 444514949 QPGQFQWYQJGNJO-UHFFFAOYSA-N 426.477 1.097 30 20 ICED CN1CCN(CCNc2cc(C#N)c([N+](=O)[O-])c(NCCN3CCN(C)CC3)c2)CC1 461450889 BRRTZRONTHVCDG-UHFFFAOYSA-N 430.557 0.785 30 20 ICED CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 462020986 SXOFMYDVBAEWHX-UHFFFAOYSA-N 444.517 0.912 30 20 ICED CN1CCN(C)[C@H](CNc2cc(C#N)c([N+](=O)[O-])c(NC[C@@H]3CN(C)CCN3C)c2)C1 462835880 SJAQCZRCYGPQJI-RTBURBONSA-N 430.557 0.782 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)cn1C 471062777 UKCYADLARGFDFT-GOSISDBHSA-N 426.502 0.816 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1NC(C)=O 472851666 HTYRFVWSRLSATR-UHFFFAOYSA-N 439.476 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccccc3S(=O)(=O)CCN(C)C)CC2)c1C#N 472998012 YUBMWFADKUNOJE-UHFFFAOYSA-N 444.561 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 481496855 UMVDKIWTGHEXCJ-WMLDXEAASA-N 436.559 0.791 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 484625400 VTGFNTUIALZRPP-UHFFFAOYSA-N 445.925 0.960 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)CC1 491123626 NDTKGJRXTMPNJH-UHFFFAOYSA-N 446.504 0.645 30 20 ICED C=CCc1cc(CNC(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)cc(OC)c1OC 504445223 ISOJWEGYOFXLLG-UHFFFAOYSA-N 429.477 0.938 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 506971514 MFFNQRGTQNRIEE-UHFFFAOYSA-N 437.522 0.720 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 508134962 OQWQEXDSLZLHGM-NXHRZFHOSA-N 444.513 0.205 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 509410114 JGZQHCALYGMRBN-CQSZACIVSA-N 444.535 0.243 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 511104505 HFIZRXJORGNZDP-UHFFFAOYSA-N 437.499 0.843 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 530317952 TWOCONPRAVQAPV-HNNXBMFYSA-N 446.550 0.832 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 538254152 MXYCQVVVFULBPV-CQSZACIVSA-N 449.537 0.960 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C 543863110 JFDOKZINXJXBAR-UHFFFAOYSA-N 429.498 0.418 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3nn(CC)c4ccccc34)c2=O)cn1 546726049 JCYNUALKEYCNKA-UHFFFAOYSA-N 447.524 0.734 30 20 ICED CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 548915404 XXMRDSOQYAAJTF-JKSUJKDBSA-N 436.534 0.568 30 20 ICED N#CC1CCN(C(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 550616647 VRAPQKTULZPIQN-UHFFFAOYSA-N 434.518 0.227 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 550689109 MIFVIELHEDATAK-OAQYLSRUSA-N 433.512 0.998 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 561655026 MYPWYNAZDZRYSZ-UHFFFAOYSA-N 436.469 0.609 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 574457356 NGBMYDDMVACHKK-RTBURBONSA-N 440.610 0.828 30 20 ICED COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 588127354 DNUXCWXFRMRSHI-UHFFFAOYSA-N 427.505 0.013 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 588947767 KAXNMTLAQOKGOI-MRXNPFEDSA-N 448.321 0.775 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(CC3CC3)CC2)CC1 603856608 LCWMGNLGDPDNPC-UHFFFAOYSA-N 431.562 0.419 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911862 TWGGIHRDRLLKIX-UHFFFAOYSA-N 434.433 0.689 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 611644428 FRUNDUSIFVKRKO-APWZRJJASA-N 436.534 0.171 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 731888881 KSPHGEURVOSORF-HTXNQAPBSA-N 436.465 0.866 30 20 ICED N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 731971549 YZXVDVVVOMJPLB-UHFFFAOYSA-N 432.458 0.356 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(CCCOCC(F)(F)F)CC1 732466227 NSNHGFLFBPKFPR-FOCLMDBBSA-N 433.431 0.809 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 733149801 RDOIZRVCURTTSX-INIZCTEOSA-N 446.935 0.985 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 733275447 JSYIQOMEYXQFRZ-ZDUSSCGKSA-N 427.548 0.929 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 743942115 AWODEVQFMLKBIJ-XKAFOEQXSA-N 445.545 0.911 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 745355645 DNTGISKMTJOYSH-UKRRQHHQSA-N 439.538 0.978 30 20 ICED COC(=O)CN(CCN1CCOCC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O 746379859 LBPZRWXUUCVKIW-UHFFFAOYSA-N 429.477 0.087 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758070215 SOTAZYLMEIOTEJ-UHFFFAOYSA-N 446.510 0.559 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 761034554 QOWHVCOZLKAEPR-UHFFFAOYSA-N 431.468 0.823 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNc2nccc(N3CCOCC3)n2)CC1 762607007 JLPACLKONNUVHG-UHFFFAOYSA-N 434.526 0.906 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)c1 778815840 SGKMMHSLWSPTGB-IVXBMDAGSA-N 444.517 0.766 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 780031416 LHCFMNUKROPOKZ-KRWDZBQOSA-N 437.481 0.909 30 20 ICED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782633852 AMGAMHASJSOIQA-UAHGDZPKSA-N 435.506 0.175 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2nc(-c3nccn3C)cs2)n1 789788366 IKWCPZMXSVOBFP-UHFFFAOYSA-N 427.490 0.987 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1cc[nH]n1 793469803 RZRHESDIJPPEPG-NSHDSACASA-N 433.387 0.611 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnn(CC(F)(F)F)n1 799453702 UEPCYYJSEMNCCG-UHFFFAOYSA-N 432.384 0.798 30 20 ICED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 803863276 DPXVMENGUDJSAZ-SECBINFHSA-N 438.849 0.951 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 807544036 STIAYLBHADABPM-ZDUSSCGKSA-N 438.481 0.987 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 811833941 ZPXQRAXFCYDQAI-UHFFFAOYSA-N 438.483 0.481 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCOCC1 914757107 LPUIHDWMRFOYAY-INIZCTEOSA-N 436.534 0.505 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 914994913 RIIPRKRIZKFBJL-GJZGRUSLSA-N 426.477 0.806 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 919757420 PGFCKZCPWGUURL-AWEZNQCLSA-N 435.527 0.997 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1=O 921187966 WASXBCLLYMUBRL-UHFFFAOYSA-N 443.479 0.027 30 20 ICED CNC(=O)N[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1176122204 SJMDRUKIVLOKKB-HNNXBMFYSA-N 441.492 0.848 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1286960407 NAQXGBSJUCGNRT-NEPJUHHUSA-N 425.481 0.978 30 20 ICED N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(=O)nc1O 1291621315 QNJHSTNJMLEKES-UHFFFAOYSA-N 435.362 0.824 30 20 ICED CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1293097379 IYYCUPCWHWWVDG-HXUWFJFHSA-N 448.524 0.727 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1299226458 MXNATRWUGYGIJB-NRFANRHFSA-N 427.509 0.368 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300844647 QALYLGUMZGGEOC-CYBMUJFWSA-N 434.298 0.794 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1305246369 RVORVBCGNVJKDU-QRQCRPRQSA-N 440.504 0.827 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@@H]2CCCS(=O)(=O)C2)cn1 1327080250 HAGWBECCMSRJID-JSGCOSHPSA-N 427.552 0.795 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 1443057963 WTJDTYGMSVSXFB-KRWDZBQOSA-N 442.563 0.061 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 1503681164 JCHCTDFCPHOXTO-INIZCTEOSA-N 443.533 0.377 30 20 ICED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCOC1 1504055440 MVVIURLJDIBFCY-DAYGRLMNSA-N 442.542 0.012 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@](O)(CC#N)C2)c1OC 1639943678 YLETZVQSTAHZQV-LJQANCHMSA-N 439.490 0.215 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1692786146 RXMSYTLRBIRGTO-ABAIWWIYSA-N 430.897 0.880 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729343790 RNAZQCBWYPZZHT-INIZCTEOSA-N 430.538 0.408 30 20 ICED COCCN1C[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863253 UKDWQJYLNDUMJS-JKSUJKDBSA-N 429.525 0.854 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1771535562 QUNWYSIRNLKFMO-INIZCTEOSA-N 436.538 0.169 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@@H]1SC(=N)NC1=O 1778078415 TUGIPEZIVNESPM-DFIRMOIBSA-N 432.546 0.716 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115652 ZJPCUEZWZZSJJK-OXJNMPFZSA-N 443.566 0.079 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779065512 VNZIPGWPRQGTGW-QHCPKHFHSA-N 442.516 0.808 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779107474 VKHACSRENYOQTG-FWMUBMEISA-N 438.510 0.256 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1cncn1 1779363678 IEYXBKYKDDNDSC-HRZKFCDQSA-N 431.541 0.825 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780804100 NXSWSMYYGAZAQK-DZKDUJFISA-N 440.541 0.452 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782666603 NYTSPFQXXCSLIH-QFIPXVFZSA-N 437.456 0.267 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1783528434 WOPKHMREGVTKQK-HZMCUPMLSA-N 448.564 0.375 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1783564759 GBSOHZNMANYUKM-BBATYDOGSA-N 440.378 0.061 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783566629 GBCNJBCPPSDECK-OAQYLSRUSA-N 432.404 0.534 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783898761 BGUONQGKXRTWNE-PNHOKKKMSA-N 443.566 0.818 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382023 NDWPQXCQKSYENH-LAUBAEHRSA-N 433.530 0.881 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787871522 PUCLKECRLGGCAD-FKKBTLCVSA-N 440.500 0.687 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1788574978 QJXPUKDDTLRLBS-UOVPBQLFSA-N 427.505 0.896 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)[C@H]2C1 1788620125 HBLGKBZORMHFDU-YBDOCMJZSA-N 426.494 0.942 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)no1 1788629821 GAIVOEJLZBLCNH-BZSNNMDCSA-N 430.505 0.599 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788638767 DJMAYWUDRCTVFH-ZOBUZTSGSA-N 445.476 0.610 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)N1CCN(C)CC1 1789798660 XRZPGAPJQXELAZ-MNAPGUCWSA-N 439.560 0.787 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446065 JGZOJUDMDXQFDT-IKPIXVSQSA-N 448.545 0.784 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(Cl)nn1 1798036435 FVTQBRZSWLGKFB-XXYRZKQNSA-N 437.884 0.862 30 20 ICED CN(C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1Cl 1800779167 WWFJHZMCHUOKFY-ILWKUFEGSA-N 433.892 0.620 30 20 ICED Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1801338303 GRZKAYLXBWQOMQ-RUVFXVMISA-N 433.509 0.871 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806078031 HWMFNJVMHIJZIJ-MAUKXSAKSA-N 435.488 0.891 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1811890485 JTIKRSBLNRJUBF-BJLQDIEVSA-N 446.467 0.871 30 20 ICED Cc1nnc(CCC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)s1 1812873937 HRFVHJLKRKXYIL-QRWLVFNGSA-N 427.486 0.968 30 20 ICED Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)c(=O)nc1O 1814484544 GBCYVQNXPRLNKN-LLVKDONJSA-N 428.474 0.630 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596422 DZPYYCGJHDIXFQ-KBPBESRZSA-N 432.481 0.527 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825077865 YQLJQEDJHOPSGG-IRXDYDNUSA-N 448.520 0.714 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C)C2)C1 1829766406 XDDHOWWYGCKUFK-XSAUMEDDSA-N 428.489 0.318 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1829773750 SPNPBAVMYRYCQL-WMBKRSAYSA-N 429.876 0.226 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902702 YZGQMVATEKWMIP-AVRDEDQJSA-N 443.504 0.004 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829908017 VRZIDUMIRMREDZ-JTSKRJEESA-N 438.488 0.410 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c(C)n2n1 1830056584 GPVKUFCLJVWBGG-OAQYLSRUSA-N 441.492 0.361 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830739828 RVBFZNRHGHDULB-HRAATJIYSA-N 438.525 0.907 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1831393724 OBUSCZPPATZUFG-AOMKIAJQSA-N 431.489 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1831398409 ASYKMMFOLXCHOR-OPAMFIHVSA-N 444.463 0.582 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1831409593 VSKHQFKQZPZBKO-DYESRHJHSA-N 440.541 0.133 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831610606 UAJJDFIILXCQAJ-KSFYIVLOSA-N 428.489 0.334 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nc1)CCO2 1831944049 XFPNQNVKDZWRNV-YXSMGJEKSA-N 444.488 0.019 30 20 ICED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832999714 ZAXQMDICHJMAKH-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(N)s3)CC2)CC1 1833076039 NUOMIUXLAAMPSA-ARJAWSKDSA-N 446.577 0.769 30 20 ICED C[C@H](NNc1ccccc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833085699 KIDIVNZEJHAZKV-KRWDZBQOSA-N 441.532 0.651 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n(C)n1 1833447223 DVEWSPZWNVNKRG-FOIQADDNSA-N 437.497 0.300 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1833484251 UKADFLHCSURESG-INIZCTEOSA-N 438.594 0.933 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985929 LSNHTNNOFSEIAW-HSZRJFAPSA-N 427.501 0.850 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccnn3)CC2)CC1 1834716381 WHRCZKZOVKHQLK-UHFFFAOYSA-N 427.553 0.944 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797176 DOZMBDPQBKLEEW-HNNXBMFYSA-N 441.536 0.815 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835146501 SYIXHCBFYRXSFP-JOCHJYFZSA-N 448.541 0.720 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835345443 MTIWBFUDHXHTSO-QFIPXVFZSA-N 442.472 0.632 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835674257 HTPIQUBASTZFSH-DEOSSOPVSA-N 438.528 0.776 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836170237 XHXSMWJZORCBDM-JOCHJYFZSA-N 430.505 0.038 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837402387 GXFSGJINGFXOHM-MBSDFSHPSA-N 445.516 0.429 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837524810 OBYNCIANRDGJMP-LQWCGFJLSA-N 447.492 0.005 30 20 ICED Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1837554789 YEEGWDIZZRYQKP-IOUFHMPJSA-N 445.520 0.735 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)CCC1 1838405309 QJGWMBIWMFXWKO-HXUWFJFHSA-N 434.537 0.329 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n[nH]1 1839223884 KACFKLBOKZERFE-FOIQADDNSA-N 435.481 0.483 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1839228125 SYMCWWRZZJZFGY-RFWXGWTQSA-N 447.532 0.847 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839354984 FBTBDIKABQPNNR-VFNWGFHPSA-N 449.435 0.842 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccc4o3)CCO2)C1 1839499994 JUZGYTUODDBJJT-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840018624 BSAVQHMGAVFQIS-PAODICLVSA-N 448.520 0.469 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840158977 UJHJICBCISAUKQ-YWZLYKJASA-N 431.518 0.656 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1840359252 HXSPXDKQKRKZOD-QFIPXVFZSA-N 438.488 0.504 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875367 LSWXWZIDKPQNHM-JQCHEVPKSA-N 439.509 0.398 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1844235759 WJJIDCPUKJVWSH-CJNGLKHVSA-N 430.505 0.769 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cc2)CC1 62087868 HLUJBBQXUSJLIK-UHFFFAOYSA-N 441.513 0.749 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)CC1 427337567 MWGWABSNFMKVFM-LJQANCHMSA-N 449.515 1.272 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 429301063 KJIASZZWCOWLET-BWNADHONSA-N 427.461 0.498 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)NCCC)Oc3ccccc32)C1=O 440283950 PUTRGBZFKQJMID-SJLPKXTDSA-N 428.489 0.552 30 20 ICED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444576050 ZVTXPTVIFZMIHS-KRWDZBQOSA-N 438.488 1.182 30 20 ICED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(OCC(=O)N(C)C)c1 446526972 OCUIWEQZCFIPPB-UHFFFAOYSA-N 445.520 0.475 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 477343791 WGUCRWKWEFHFPC-INIZCTEOSA-N 444.444 0.244 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)n1 479365286 NTIHTESLPYBEPO-UHFFFAOYSA-N 430.555 0.848 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 486012293 ZAOVINZCXWVNKJ-QGZVFWFLSA-N 432.440 0.035 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 489173239 XJJSHCCJOGJJQR-YOEHRIQHSA-N 440.547 0.252 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 489339318 XXHOTQRJKRZSQV-KOAZEORRSA-N 449.558 0.774 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O 499942130 XETQJQVAQHIWDB-RDJZCZTQSA-N 425.576 0.983 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 501846175 WSUNGRKNDFPDHE-CQSZACIVSA-N 443.485 0.310 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C 504042731 HGCKEYWHPXIYQJ-HNNXBMFYSA-N 441.467 0.672 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 504999660 VYVJYJZNCGONDA-UHFFFAOYSA-N 432.506 0.789 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccccc2S(N)(=O)=O)n1 511330320 ZFROEFMPXXZFPQ-UHFFFAOYSA-N 442.432 0.785 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)CC1 513060575 XXUDFRLNBFZWNM-UHFFFAOYSA-N 428.514 0.131 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 515394530 GIVBBAGNHVHGQF-UHFFFAOYSA-N 437.382 0.843 30 20 ICED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 541799753 MLDXNTJUFWHNGO-UHFFFAOYSA-N 428.470 0.730 30 20 ICED CC[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)N1CCOCC1 543005209 MMUXYJBARPLONU-HNNXBMFYSA-N 428.424 0.575 30 20 ICED CCOC(=O)c1cnn(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C#N 544678059 WIYXEZKPALHFEZ-UHFFFAOYSA-N 435.462 0.829 30 20 ICED Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1S(=O)(=O)NCC#N 552465853 SMSKWHUNMKZYFR-UHFFFAOYSA-N 443.485 0.607 30 20 ICED C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 556039825 YLULGJXIWWCFAH-INIZCTEOSA-N 435.488 0.381 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)nc1 556223346 QTNJZHZERFTQFN-UHFFFAOYSA-N 425.829 0.779 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 556422641 OGVTXMCIOYZJNA-HKUYNNGSSA-N 431.518 0.631 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558055667 MLZARUFBZSRLBR-QFBILLFUSA-N 441.532 0.473 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 559565297 OTJYUKGURIOGSN-UHFFFAOYSA-N 444.498 0.968 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 566827129 RBINGLUHYJQRDW-IBGZPJMESA-N 442.497 0.762 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 567548742 PIYKITVDJPDUHN-UHFFFAOYSA-N 430.490 0.648 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 570348704 CKIIDWLNGXXVAO-QGZVFWFLSA-N 443.533 0.579 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1 576198932 FLAVUJIXVCRHJV-OKILXGFUSA-N 443.547 0.466 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(C4CCCC4)CC3)CC2)c1C#N 581075418 WGORDUCLIHJALF-UHFFFAOYSA-N 427.553 0.772 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1F 583604417 SFYYWGQSTDPZMU-ZDUSSCGKSA-N 445.472 0.042 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 587687912 CHXOWLVKEXPBNC-DLBZAZTESA-N 429.521 0.421 30 20 ICED C[C@@H]([C@@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCOCC1 588062485 ZVYARSPGQBAWRL-CABCVRRESA-N 430.509 0.298 30 20 ICED CO[C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 588870279 GLZCLWNDZRQXJC-CABCVRRESA-N 426.395 0.859 30 20 ICED N#Cc1ccncc1N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 589874545 ZHXXYRXHOYEJSY-UHFFFAOYSA-N 426.502 0.545 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CC1 590998530 OZBUTPNZGRNQOS-UHFFFAOYSA-N 442.516 0.335 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 619683338 UFFPODNIABAZKO-LBPRGKRZSA-N 434.396 0.936 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 726042501 CNWFAYKJVHRTLJ-STQMWFEESA-N 445.428 0.544 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccncc3)c2=O)c1 726579638 LYEGSVUGWUMBCC-UHFFFAOYSA-N 444.516 0.931 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 732971605 RRDUTBUFPZSNEL-UHFFFAOYSA-N 449.501 0.592 30 20 ICED COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737305076 NDSNYGLNLNYYKA-ODENVGOISA-N 440.522 0.342 30 20 ICED COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743939701 GHVOYIXHAMFAJY-CHOFAJOMSA-N 440.522 0.606 30 20 ICED CSC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749753376 YDYIKOLHDOYPBX-HDOZFUISSA-N 442.563 0.668 30 20 ICED C=CC[C@@H](CO)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 754247283 VHJNQCZADGPSTB-ZDUSSCGKSA-N 435.524 0.027 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC2(CS(C)(=O)=O)CCOCC2)cc1 756632978 DYYLXMJGMYZOMM-UHFFFAOYSA-N 429.516 0.596 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSc1cccc(C#N)c1 759056390 TTZKCUJRXSNQIK-UHFFFAOYSA-N 448.526 0.966 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771412548 OLZPPPWEZLLCOF-VOJFVSQTSA-N 436.262 0.897 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)cc2Cl)c(=O)n(C)c1=O 771892405 RMZQEEIOFRWISV-UHFFFAOYSA-N 435.687 0.812 30 20 ICED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Br)c1 776187189 BRLHNZGXOHAIGE-UHFFFAOYSA-N 445.295 0.558 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 777361013 UMCWDUVTNNBAQD-UHFFFAOYSA-N 430.446 0.318 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 785284798 MJUSRGZBMUVBDT-WEBKGQRMSA-N 429.429 0.868 30 20 ICED COC(=O)CC[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 791754199 RHYLYZXBRJHOFW-WCQYABFASA-N 425.463 0.115 30 20 ICED Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 793809659 PZRHZOHBLMQGFX-UHFFFAOYSA-N 430.472 0.807 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3nnc(CC#N)n3C)C2=O)cc1 794471077 OBRCLIXHLMKRGP-SFHVURJKSA-N 429.462 0.480 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2c(C)cnn2C)c1=O 795186943 HHASIQBCFUCFGT-UHFFFAOYSA-N 427.486 0.011 30 20 ICED C#CCC[C@H](O)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 799072994 YOIAQQDHEFUAGM-AWEZNQCLSA-N 445.335 0.974 30 20 ICED CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCNC1=O 799846430 KEZFARBWHPBDHM-OAZPQLMHSA-N 435.506 0.175 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 805739452 OCRRJCVUWONXET-HNNXBMFYSA-N 430.509 0.879 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCSC 812278773 JFKZTSRVVVCBEI-UHFFFAOYSA-N 441.529 0.973 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1C#N 815680048 COEAGSSAGCATID-CQSZACIVSA-N 437.478 0.557 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 895060483 BNFNELWNCZDAGS-CQSZACIVSA-N 439.490 0.573 30 20 ICED CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916311502 LOKVQWQTYDEZGN-INIZCTEOSA-N 425.580 0.648 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 918330147 MZSRNSVIMOCGBR-UHFFFAOYSA-N 431.470 0.993 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)N3CCCCC3)CC2)cc1 919671336 YMXKJPMBWLKVDA-UHFFFAOYSA-N 440.547 0.806 30 20 ICED CN1CCN(CCCN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1116064652 YWNVSNOBZKLTNG-LJQANCHMSA-N 426.521 0.859 30 20 ICED CN(Cc1cnn(C)c1)C(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116065836 IPECZQIPAKQCRT-KRWDZBQOSA-N 438.444 0.699 30 20 ICED NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1116181321 QCDTYMBIHNWNHA-UMIVRTMYSA-N 425.489 0.921 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 1138108262 LIVSFBQWGQYMQH-DOMZBBRYSA-N 426.470 0.979 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1286961562 VZWCRDPWFMWCOP-BRWVUGGUSA-N 441.602 0.985 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1541946055 PBWKILZSOGEMPK-HIFRSBDPSA-N 434.526 0.126 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1654309630 XWPOYRDUTPMWPC-UHFFFAOYSA-N 439.969 0.874 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1697022547 IJPHFCBCZDDXPG-QZTJIDSGSA-N 446.533 0.750 30 20 ICED CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1723087372 SQUCGKLETHZMAE-CQSZACIVSA-N 425.559 0.791 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1745801459 LQXFANDGMQMGJZ-HNNXBMFYSA-N 425.493 0.922 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C(=O)NC 1760301287 WRDPAMRSGWQYLY-KOLCDFICSA-N 437.364 0.615 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115216 QFNZSWGEABUBMK-QFBILLFUSA-N 447.623 0.442 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778710733 KMRWOCHHNKMSMU-WAIKUNEKSA-N 441.484 0.838 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779062463 KLPXNEZWZHTOMU-QFIPXVFZSA-N 429.473 0.228 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176875 MWAKYBHSZBRKBK-QYWGDWMGSA-N 431.493 0.016 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181679 LLSKPZHZVZCYRJ-JTSKRJEESA-N 427.505 0.618 30 20 ICED CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1779623600 MGORFWVUOKDBRK-VQHJOYQZSA-N 433.509 0.955 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786362 ZWLTYPUURLYYOG-QFBILLFUSA-N 438.506 0.541 30 20 ICED COc1ccc(OC)c(CCCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783566048 XGSLVJUNSOHWIA-HSZRJFAPSA-N 444.484 0.944 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CN1 1783628136 MMENYNPFEIIHHK-VGMXSGEXSA-N 445.541 0.993 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1783847971 DHDMDNYCNIOAHP-VEBLIYQASA-N 445.516 0.430 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786846757 JJUDQDMVZORJKS-FJIDUMEYSA-N 436.553 0.622 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291267 SNNSZWGDARWQDT-BPUTZDHNSA-N 431.493 0.368 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176916 HQNLFDZZOGWAPK-SZMVWBNQSA-N 425.489 0.728 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832512 VSNLLAIIKYGPET-DMUMMCEESA-N 427.505 0.527 30 20 ICED CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794470442 GREBBFMFUQMPDK-QQAVIKJWSA-N 428.537 0.823 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c(Cl)c1 1796349120 BHHHXNKCJCIFPM-DRXBFXEBSA-N 443.847 0.930 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444152 BMCISTWQJOBRMM-KQMKRTKOSA-N 433.530 0.991 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1798261508 YZYMVBZQYZTABC-IZZQQSIFSA-N 428.537 0.633 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)c1 1799150250 HMGCLFNJKYRMDD-WNSDDWSPSA-N 425.489 0.491 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2)C(F)(F)F 1800550267 ZKTFADJBGXAHAY-DRXBFXEBSA-N 437.378 0.411 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@](C)(O)CC(=O)O)c1 1801006497 CBBJPYXNQKDBBJ-IMLKGASGSA-N 429.473 0.686 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801529654 BZHHGKNMLGIDDY-CWPLJXCYSA-N 438.933 0.716 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cc1 1801993142 GWRMPLSSHIDVAX-BJWYYQGGSA-N 432.498 0.749 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1803546931 CCLLXMAFXLGZIH-UKPHBRMFSA-N 425.445 0.641 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c(O)n1 1805138118 ZJVLHWPSJXCJQG-MAUKXSAKSA-N 426.473 0.931 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)CCC#N)[C@H]2c2cccnc2)CC1 1806866836 PQGMMEODKSZDFA-SIKLNZKXSA-N 426.521 0.555 30 20 ICED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810356976 KVECQCSMXXORSF-JWPHWMAASA-N 431.493 0.753 30 20 ICED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)n1cnnn1 1819781329 QLVFQCYFFHAURM-RLXLQZHTSA-N 431.526 0.775 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)nc1 1825565735 QAAUHQWEPUVYBY-SFHVURJKSA-N 447.513 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)CC1 1829111351 PFBVDKCDDHMBIX-PXNYIJGASA-N 448.564 0.616 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831394181 YPMSSHRGLHSUTN-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831399543 WIXHLSZIUMWUSP-YCRPNKLZSA-N 447.444 0.409 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831433673 LRCNNDXVNUWPAP-HRAATJIYSA-N 441.525 0.559 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831434527 YRTXLWZUHXFFMC-QVKFZJNVSA-N 447.467 0.530 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1832456212 LCTQAFWRJLTINI-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832880187 BCDNUPXBPORODB-JTSKRJEESA-N 432.521 0.803 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015700 VMONPAOPSYNCPQ-FOIQADDNSA-N 436.534 0.274 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833709685 RVUZEXJWYGDSFJ-QRWLVFNGSA-N 439.488 0.739 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)o1 1833902607 HUNMPHJWYIPAKO-ZJHLSYPMSA-N 445.476 0.523 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969255 OBFUAAGQJYWYJV-OAHLLOKOSA-N 443.504 0.398 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834330388 JOJSNDCITVBMLO-JOCHJYFZSA-N 439.472 0.441 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465749 PLYNUQQMJFEOQP-SMHWIJLPSA-N 438.506 0.742 30 20 ICED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834872930 NGIRENDOKMDPMO-QFIPXVFZSA-N 439.472 0.874 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973305 PLVSLOGRADAWFT-AWEZNQCLSA-N 442.524 0.210 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1835673052 SWBVKGVHDZZLPG-QHCPKHFHSA-N 442.516 0.608 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380664 AOFYDYYCBZBESA-OAQYLSRUSA-N 449.529 0.110 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1836859384 XSUCJDJTPCHNNE-KRWDZBQOSA-N 435.521 0.866 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837562831 RKUMMXAVHNZINM-SWHKHVPSSA-N 432.502 0.854 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837661623 NATIODSTWHISSJ-QHCPKHFHSA-N 447.532 0.750 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838417007 ACMPZDSMNBFZRX-HXUWFJFHSA-N 430.486 0.239 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nonc5c4)C3)C2)c1 1838737561 ZDVSXSLGTLWWHZ-OAQYLSRUSA-N 436.428 0.806 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1OC 1838839919 IMDZCUOMRGBEGG-QFIPXVFZSA-N 429.473 0.582 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1839808669 XONIGFNLEDBLQK-QHCPKHFHSA-N 426.517 0.423 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1840157242 ISTAKHJJQKEROS-CKJXQJPGSA-N 436.530 0.991 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820599 ADEBVHNBFTWRKP-FNNXTJRKSA-N 429.473 0.944 30 20 ICED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1840928833 QBBFULWRLMNLSI-NHMXVPMISA-N 446.548 0.887 30 20 ICED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623112 HKNIWIKXCVQUCY-HNNXBMFYSA-N 435.525 0.865 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc3cc(C)ccn3c2=O)C1 1843786263 RXUHSEPKEPIORZ-WAYWQWQTSA-N 435.484 0.678 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844286230 BWSPPLJNOHDPHC-GOSISDBHSA-N 434.489 0.383 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302959 YDIBUFDZZIXSEY-NIQDBXHUSA-N 447.448 0.489 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845103812 KHRMLRLUXCIPOB-IKGGRYGDSA-N 435.521 0.456 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)COc2ccccc2C#N)c(N)n(Cc2ccccc2)c1=O 11213188 FMJCECNBQHKZFH-UHFFFAOYSA-N 448.435 0.854 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 33015373 LWQBYHQITPSTSY-MRXNPFEDSA-N 435.550 0.551 30 20 ICED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409503966 SQACUEHFQGQXAC-IRXDYDNUSA-N 442.925 0.641 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 428687724 WUBOHLMZBCAFOW-YPMHNXCESA-N 432.424 0.752 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 435656643 STJJUDWDBUYNPS-UHFFFAOYSA-N 439.451 0.611 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1 439390701 ZSDURYYLSOXRFE-UHFFFAOYSA-N 426.521 0.194 30 20 ICED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1O 442849484 HKXRQZZCDSRRPA-UHFFFAOYSA-N 427.442 0.992 30 20 ICED COCCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)nc1=O 444768326 CWTYMSVASPFVNH-UHFFFAOYSA-N 446.895 0.707 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461373251 OUGQEEWZAXVMEK-CQSZACIVSA-N 438.509 0.630 30 20 ICED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1CCN(CC#N)CC1 464985292 LGAGFLZNOWEANQ-HNNXBMFYSA-N 436.534 0.866 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 480187815 CJGXMIHJXLDCJR-DZGCQCFKSA-N 428.536 0.155 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 481156888 OUNGZZBFIFIHOQ-CZUORRHYSA-N 432.477 0.825 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 485036589 VSHVHUVBLAZIHM-YCRPNKLZSA-N 431.445 0.560 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2=O)cc1 486490593 SQLBRWYCWYNLQZ-KRWDZBQOSA-N 446.489 0.066 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2cccnc2)c1=O 488990068 XPVZEMWPFGGTLV-QGZVFWFLSA-N 449.536 0.873 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 494117717 WGTCEQBSEDJVAJ-HNNXBMFYSA-N 436.534 0.947 30 20 ICED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)[nH]1 502530619 NORZTPOMJVWASW-UHFFFAOYSA-N 441.488 0.569 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn4c(n3)CCCC4)CC2)cc1 503449602 RBAXSSSEXYBIQM-UHFFFAOYSA-N 435.531 0.786 30 20 ICED N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 507427085 FQNPJQQIDGOHJP-MRXNPFEDSA-N 436.515 0.889 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc2O1 517138734 YVUVFYSBZGDPPI-OAQYLSRUSA-N 449.511 0.989 30 20 ICED CCc1nc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 517679000 UZGDNDUSHIEXCG-UHFFFAOYSA-N 432.506 0.469 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 537046414 JOEVSJKXDKWCFF-YPAWHYETSA-N 446.640 0.991 30 20 ICED N#CCCC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 556625303 FZUBPICYYZJGED-SFHVURJKSA-N 438.488 1.232 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)c1C#N 558544841 QIHURJCUQVHTMW-UHFFFAOYSA-N 438.473 0.586 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc21 558640455 WDNDBYSTLKIGLW-UHFFFAOYSA-N 447.499 1.470 30 20 ICED COC(=O)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Oc1ccc(Br)cc1 561424338 AXLWOCATRZHPNC-ZDUSSCGKSA-N 437.250 0.751 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](C)O)cc1 566611908 QMSRHEXTKKZOLV-OXJNMPFZSA-N 443.529 0.638 30 20 ICED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 576992124 VTKXBNBJOBPGAH-CYBMUJFWSA-N 435.296 0.588 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 579423590 GMVAWCIEBHKBGO-UHFFFAOYSA-N 427.526 0.984 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(Br)cc1F 588708422 XJEJNMKZWLRYEP-UHFFFAOYSA-N 439.201 0.593 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O 589160273 DRJDGFODMJQUOM-UHFFFAOYSA-N 439.584 0.639 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCNS(C)(=O)=O 589161661 WTEUVKBBTUKEAK-UHFFFAOYSA-N 437.518 0.326 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610808642 RWKXOOGVBDJDJZ-LLVKDONJSA-N 440.478 0.328 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1=O 613979433 OROLFGBCWKUSIY-HNNXBMFYSA-N 444.488 0.747 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726201557 YJNPYRSGLQEBGE-AWEZNQCLSA-N 439.538 0.681 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 730776267 YCBGIVHTDILLCZ-KRWDZBQOSA-N 445.907 0.439 30 20 ICED NC(=O)c1c(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)sc2c1CCC2 741340616 MITUTANYAWNDJG-FBMGVBCBSA-N 432.458 0.734 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754439609 YKMJYZMXAWJDCT-INIZCTEOSA-N 429.477 0.416 30 20 ICED CCCCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771890134 NYBDQEUXGNJWIN-UHFFFAOYSA-N 438.506 0.974 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(C[C@@H]3CCOC3)c2=O)cn1 772311631 OUSDRQWTYKQFDP-HNNXBMFYSA-N 427.530 0.663 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H]3CCOc4ccccc43)c2=O)cn1 772312830 XZJJAKADPCGRFT-QGZVFWFLSA-N 433.493 0.828 30 20 ICED C#CCN1CCN(C(=O)Cn2c(=O)c(Br)cn(Cc3ccccc3)c2=O)CC1 773176971 CXNUVMAXAOYTKY-UHFFFAOYSA-N 445.317 0.598 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778821603 GERGRPNMWFOUOE-CXAGYDPISA-N 431.474 0.697 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2=O)cc1 780279817 AHAOQHFWUKJANT-QGZVFWFLSA-N 430.428 0.784 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782857282 LGBCQNZLTTXMST-NSHDSACASA-N 431.430 0.323 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)cc1F 786560256 ARRMWHRNNBGPAD-ARYPMIFLSA-N 431.395 0.842 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787607047 BBUFSHCPIZJUDK-CYBMUJFWSA-N 439.490 0.866 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c1C 791047783 FJKRZYIOVYSDCJ-UHFFFAOYSA-N 428.518 0.978 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)c1 802632815 FSFBTGNWBGGNEJ-CQHJRZBDSA-N 426.470 0.371 30 20 ICED CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806781175 LKRPKTGVIPJMDX-QURGRASLSA-N 440.548 0.972 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 808236827 PJYSZQLNTGWXCP-SFHVURJKSA-N 441.488 0.466 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 808556762 PLTZBTPXUDJMDJ-UHFFFAOYSA-N 447.445 0.915 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C#N)n3)CC2)cc1 811254052 YKYBYEOJNHWXKY-UHFFFAOYSA-N 444.469 0.652 30 20 ICED C#CC[C@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 820064704 KAAHWYYLRNYDCM-GFCCVEGCSA-N 449.298 0.723 30 20 ICED C[C@@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)CCO1 914579633 AJFCNZAYVDQIRC-OAHLLOKOSA-N 437.521 0.617 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1298133017 JKMYAJUZZIFNLC-AWEZNQCLSA-N 438.460 0.821 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCOCC2)C1 1302478567 JTZOEVKJJXUCKM-CRAIPNDOSA-N 442.517 0.480 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C#N)cc1)c(=O)n2CC(C)C 1318594831 HWOJMOAIGZGCKA-UHFFFAOYSA-N 438.488 0.850 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)nc1O 1453841787 JFDDUQTUEYLAIA-FOIQADDNSA-N 443.460 0.667 30 20 ICED COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1711637044 KWUFDUWWKCNNPR-PBHICJAKSA-N 434.522 0.982 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1742713346 NGOAAQZCZCKNSW-LPHOPBHVSA-N 428.541 0.837 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1778973363 JDWWCJFAXDOLJA-HRAATJIYSA-N 448.476 0.160 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(F)F)cc3F)C2)C1 1780142974 XVHXXOOBNSGVCV-IBGZPJMESA-N 426.347 0.959 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781399699 FITHZCRDQTXKTO-SCLBCKFNSA-N 442.563 0.478 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1781792253 WMKRKHGWNOLGFM-WIYYLYMNSA-N 431.514 0.773 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781839400 WAHOLSWIRRNRIA-AUSIDOKSSA-N 439.597 0.779 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C[C@@H]21 1783531836 ZMHPUPSCNGXXQD-PNFIJAFNSA-N 430.549 0.165 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783910361 VOKNLCFUODDPER-UFYCRDLUSA-N 441.532 0.742 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784486740 MPQJLBTUJSYRQY-WBKMXMRLSA-N 425.485 0.955 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)c1 1785031360 BAYPSXKFNLSIEM-SZMVWBNQSA-N 439.472 0.012 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785576077 GOCRUOFUSDVLIL-VGOFRKELSA-N 434.537 0.295 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786868217 CSLUGKHJDZOLLQ-PBWTXFEYSA-N 428.537 0.343 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1788572450 BKWBRXUESOZRDR-VPAKFMSCSA-N 431.533 0.962 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C1)CC2 1791077602 MWBMGKKRUHPYFE-IGGJEDBVSA-N 440.496 0.868 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1794244498 HMMQLYSOQJFRPJ-JONQDZQNSA-N 429.498 0.823 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796718426 DTBOVSRFAWSELY-VWPFQQQWSA-N 434.449 0.793 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nonc2c1 1796882389 GXXWBGPOMACIHX-JLVBRIDZSA-N 426.477 0.708 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)Cc1ccccc1NC2=O 1798434656 YBDDKZKUHIICBL-YVWYUNDQSA-N 434.456 0.614 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)[C@H]1CCCS1(=O)=O 1798497084 LJLWUZQEQFRJBF-UCMABDKGSA-N 427.523 0.731 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(C(F)(F)F)c1 1801233162 NEXVKYMECQTATD-HBCWATKFSA-N 439.390 0.711 30 20 ICED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)C1 1802405043 CVYLBNYSWQLLBB-KDOFPFPSSA-N 434.460 0.493 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806634536 XZLVFXUESWTCEA-JENIJYKNSA-N 426.521 0.648 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668456 FSOQNSRWPTYURE-UWVGGRQHSA-N 444.477 0.086 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819706886 RIEDKBJWHIEPNC-SWLSCSKDSA-N 446.529 0.943 30 20 ICED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)C(=O)C(=O)O 1821714808 QBQICABYUCIYHZ-QGZVFWFLSA-N 437.456 0.997 30 20 ICED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1826502043 ZRQTXWCUCYGZHC-OGMBXEEDSA-N 439.494 0.940 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1829881213 QIMIGSZYYRTMJH-NRFANRHFSA-N 436.509 0.661 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898970 PXADLKWZVVWABP-AMHTUMDSSA-N 429.517 0.964 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829907998 UWFYQGCMCIOLIV-HTAPYJJXSA-N 438.488 0.410 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830458833 IWVBOIKGDCPWMR-HSZRJFAPSA-N 443.500 0.900 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1831405774 JHRPMQAKSPMDRV-ZWKOTPCHSA-N 438.443 0.739 30 20 ICED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831481071 DPJDUODOVQJECI-NRFANRHFSA-N 439.597 0.876 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832295709 OTTAVMHBFAHPKF-XZEIMLRBSA-N 434.493 0.023 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1832462397 KBKMOENAQKRBER-HXUWFJFHSA-N 425.551 0.375 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835335677 NYGMSAZNXAEOOL-NIBLFHJUSA-N 437.415 0.924 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)CC1 1835346696 PHPUZGFFJHUFOQ-HXUWFJFHSA-N 428.424 0.242 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835817551 GKJAQXMFJQQTBC-KKLQWCBXSA-N 446.548 0.986 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836973446 SQMGLCUYHWKIHC-JOCHJYFZSA-N 430.505 0.929 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837566814 NLNHNGFEAQVXBV-VMYBJKTBSA-N 434.493 0.956 30 20 ICED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)ccc1F 1838075607 UOXIKMKBZVBUIP-FQEVSTJZSA-N 431.512 0.524 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)CC1 1838306666 XWNRUTIAHRJFPI-UHFFFAOYSA-N 425.445 0.658 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759073 TWBMHPCFTSHMAF-VGSWGCGISA-N 449.552 0.676 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3OC)CCO2)C1 1838877889 FJTPBJGFJZSQSI-GAJHUEQPSA-N 446.500 0.812 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n1 1838906172 VMSIKYKWFWDKLU-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1839172381 QNQQMRZAYOOWEF-LAUBAEHRSA-N 438.521 0.503 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CSC)NC(=O)OC(C)(C)C)C2)C1 1839811179 LJVZYROWXJIGQG-MGPUTAFESA-N 441.550 0.332 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839846282 NXSRYOFDLBHJLI-IUKKYPGJSA-N 444.532 0.869 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(F)c3)CCO2)C1 1840525271 CAOHNNSADJBTFO-HXOBKFHXSA-N 448.491 0.872 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840820045 VOVMCNZHYAUQCJ-FQEVSTJZSA-N 427.417 0.090 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1841599682 HPNPJDSIPOYRMY-QGZVFWFLSA-N 437.500 0.735 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)=NO2)C1 1846123788 ZKJGHZFULAWZPX-UHFFFAOYSA-N 446.460 0.044 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@H]2OCC[C@H]21 1846197061 OOYFGAQFCHPZFC-HDMKZQKVSA-N 447.488 0.302 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)N(CCC#N)CCOC)cc1 409534460 JLKOOWDERNKGQR-UHFFFAOYSA-N 432.568 0.914 30 20 ICED C[C@@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4(C#N)CCC4)c3c2)C1 438912183 NUIVEERCWAQQAW-CQSZACIVSA-N 432.506 0.843 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1=O 439410446 NYZIDCCVOVJCHT-OAHLLOKOSA-N 440.522 0.871 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCOC1 441958660 QXMPRROAGIMJAN-INIZCTEOSA-N 443.500 0.447 30 20 ICED CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1(C)C 443129132 MZBVAKKYCGJJHC-UHFFFAOYSA-N 443.939 1.478 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2nccnc2C)CC1 443148075 XIOMFYRXONHUJN-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)c1cccc(C)c1C 444611864 SCOOHDVCMLWYET-LJQANCHMSA-N 430.505 0.930 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)c(F)c1 478775230 JWFGBTGQXLNTKR-UHFFFAOYSA-N 439.447 0.526 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)NCC1CCC1 482157624 MLLHMGIJYMQCHZ-ZDUSSCGKSA-N 428.536 0.061 30 20 ICED N#Cc1cc(F)ccc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 489576317 FGPDDGPXBURADG-UHFFFAOYSA-N 438.506 0.851 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 491056036 XWYVIOKAQIORJW-OAHLLOKOSA-N 430.505 0.794 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 494723765 RRISYJULHUYNJU-UHFFFAOYSA-N 439.457 0.172 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 508770532 UZPXNBOUDIHGGM-KRWDZBQOSA-N 440.456 0.770 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COCC2CC2)C1 508938864 NSYUBCNXUXBDNT-IAGOWNOFSA-N 441.554 0.429 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 515087104 IYLFNXLINFPZIJ-IBGZPJMESA-N 440.500 0.573 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 516374886 CRZJJBCMGZHYMY-UHFFFAOYSA-N 438.553 0.990 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1=O 520510446 VYQLFYBQYQVLNJ-UHFFFAOYSA-N 433.852 0.889 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 522027964 DGUYSXYDOBHCBK-VQIMIIECSA-N 427.505 0.349 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1Cl 527030925 WOHGTROABPHZIN-CQSZACIVSA-N 445.928 0.856 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 537172135 BAPJIQYOWVEWLO-MSOLQXFVSA-N 431.562 0.780 30 20 ICED C=CC[C@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 538219732 KYEVMBBKXNJOCI-AWEZNQCLSA-N 428.507 0.639 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 539234583 IFQYXWYUXLNGBZ-FHWLQOOXSA-N 426.583 0.347 30 20 ICED CN(C)C1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541145402 ZCYJIPNIMXLLNQ-UHFFFAOYSA-N 427.484 0.964 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCC#N)cc2)C1 541385971 KSVNNHCBIMCXRJ-CQSZACIVSA-N 436.490 0.619 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 544566288 UWYQZTABWHIFTD-UHFFFAOYSA-N 442.563 0.588 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 550770276 KGLYVYSUHGGWRR-UHFFFAOYSA-N 438.463 0.596 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)C2)nc1 551430370 YOAUIXSTQXCBFV-MRXNPFEDSA-N 426.454 0.901 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1(S(C)(=O)=O)CC1 554284964 AJCJAVOOEFMNCG-AWEZNQCLSA-N 440.547 0.540 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 558997538 JNTPELDDZFMPLM-CQSZACIVSA-N 448.615 0.715 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)n(-c2ccc(C#N)cc2)n1 560191339 STVRLBCBHQLDIB-UHFFFAOYSA-N 438.488 0.643 30 20 ICED CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 560671251 NGKSMIBKGFRFCZ-UHFFFAOYSA-N 436.516 0.859 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 568320559 BZCNKMVMRMNDBN-MRXNPFEDSA-N 443.895 0.830 30 20 ICED N#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 609334559 MQVQOSIOODMAEW-UHFFFAOYSA-N 440.469 0.793 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 674480970 QBRVGZCZRQADEN-QKKBWIMNSA-N 427.461 0.378 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 726043760 RGVLTHPKFGHOOY-ZDUSSCGKSA-N 442.428 0.660 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnc(C)s3)c2=O)cn1 726180488 MGKKQUISRAXKOA-UHFFFAOYSA-N 428.543 0.908 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccccc2C(F)(F)F)c1=O 729671010 FVIWHGDCABWUHB-UHFFFAOYSA-N 427.429 1.000 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 730070085 NQJGWDJBAPGSTE-UHFFFAOYSA-N 434.562 0.983 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 732466429 NUYPLBSFMACHLL-VXPUYCOJSA-N 445.451 0.585 30 20 ICED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 733667440 ZEECGXMWIMJIPE-XLNRJJMWSA-N 449.533 0.519 30 20 ICED COC(=O)[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(C#N)cc1 740178590 MYFSCXXCXQOWNE-YOEHRIQHSA-N 433.442 0.481 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(CC#N)c1ccccc1 745356518 KTGWNCYYOMCKOV-AWEZNQCLSA-N 433.490 0.804 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)[C@H](C#N)C1 756757562 CLYVKGKIRFASAZ-CHWSQXEVSA-N 426.499 0.808 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 758049639 JNVJYEXZJMSKBY-GDBMZVCRSA-N 425.510 0.915 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637117 OKGBRNCHQCXJTD-UHFFFAOYSA-N 429.546 0.369 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 776145558 CTIZECROMFBWFT-UHFFFAOYSA-N 438.531 0.955 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 796148167 IIOGKRJTALCWRT-UHFFFAOYSA-N 428.426 0.713 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 799267414 KRBWAGMKIQXVQG-SFHVURJKSA-N 427.505 0.572 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)CC2)o1 914684840 ZWAPNHFRMCMONR-UHFFFAOYSA-N 432.458 0.764 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCOC 916198567 OZVMTDJODLLBCI-UHFFFAOYSA-N 431.514 0.221 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916240430 JTYLKYIVBSFHNG-UHFFFAOYSA-N 426.476 0.533 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC 917769971 BEYWJIGQBADWEC-UHFFFAOYSA-N 429.498 0.357 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1299135268 XOITUIFEJHAJNQ-LPHOPBHVSA-N 439.520 0.489 30 20 ICED CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359927150 OUOFTWYJXPYDHS-LJQANCHMSA-N 435.554 0.994 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1508381995 YZCSEOIKGZMYAP-KRWDZBQOSA-N 432.506 0.203 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CCOC)CCO1 1696963488 QXAWKORMFXFCAI-LJQANCHMSA-N 441.536 0.736 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727293579 QRERVCGCPZQWFH-NVXWUHKLSA-N 436.582 0.908 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nncn1C 1744090713 HRAPSHQFUJSSCW-INIZCTEOSA-N 426.529 0.550 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCS(=O)(=O)CC2CC2)c1 1750381269 NJTJECQASHOGQL-KRWDZBQOSA-N 428.518 0.953 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1767483814 PJTREMPJVBRWGO-PGRDOPGGSA-N 448.568 0.894 30 20 ICED Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1769052672 TVEMOSPNZWBZEY-UHFFFAOYSA-N 427.494 0.075 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952202 XMLVKEFEPSXHIV-DUYDGHCJSA-N 425.493 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777956731 RLYOLWDJCAOPDS-KOIKXXGWSA-N 427.505 0.211 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780170055 YDNWCOIEURITDV-UWJYYQICSA-N 429.477 0.457 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781087763 IOERJJQQKSLUOF-YADARESESA-N 439.560 0.567 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c(C#N)c1 1781172879 IBKIUAOOAVZLKI-OAQYLSRUSA-N 426.429 0.947 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1781269745 KIKVVHSSGGNXRT-PNCHPQGNSA-N 447.532 0.727 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1781270694 SXQGZIOANCMLJJ-JTSKRJEESA-N 431.489 0.749 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)CCO2 1783917620 MEZCGGDWPSBPOY-OAQYLSRUSA-N 446.529 0.247 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784118369 AYFIWVJEBQFPAK-HJPURHCSSA-N 436.468 0.682 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(O)ncn1 1784666058 ADDLRGFLUJNLHI-OLJJCBBESA-N 433.465 0.305 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cc1O 1785376712 ZBGOGZQJBPXIIF-OAQYLSRUSA-N 425.445 0.520 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)[C@H]2C1 1788249943 HBEUGDXARQLKAF-AQBJMCTPSA-N 449.548 0.607 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955441 KDBSBQFTNAMEKR-DFEOGRTESA-N 435.525 0.924 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790869358 IUBTUQPKPIAWAU-FBVAEJEDSA-N 428.489 0.441 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CCN1 1791344513 MVTKBAGOWYRQTA-VJANTYMQSA-N 431.533 0.191 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1792183560 KMHHEQYYODSKOZ-OKYOBFRVSA-N 435.569 0.553 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CC2=O)c1 1792427246 BRKBNLVZBNVTBW-FSTVOOFJSA-N 440.500 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1792490786 NNWWIQBUGWBBBH-IBRLJDPESA-N 438.484 0.243 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730381 GJQFRQHMNBTTEB-YFKTTZPYSA-N 441.378 0.732 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797788529 LNABHRNDHWTBHS-YHDCXSKOSA-N 436.505 0.839 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)N1C[C@H]2C[C@@H]2C1 1797812290 PKMCAAOARNFPOX-RDYNPDFASA-N 434.537 0.445 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)ccc1O 1798951097 BPRKDMHIIFXEBA-HGKCTWBKSA-N 430.505 0.886 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c1 1799799045 LZDFLSMDMQCTDX-XEMDLRDOSA-N 438.444 0.875 30 20 ICED Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n1 1799883255 DYEVSHACTXGVLS-YVWYUNDQSA-N 433.472 0.614 30 20 ICED O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801262229 YRTMFQSHXDGDCB-FAKDNFGVSA-N 429.502 0.758 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1802023602 IFFQMEGEVYWWCY-QWCYLASJSA-N 425.529 0.625 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2 1802124744 HGFYAMWMGBOJMB-IVSAIRAKSA-N 432.477 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)COCCOC)[C@@H]1c1cccnc1 1802480273 FOOGYQLNMSAHPP-NOABYQSRSA-N 430.505 0.609 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2(C(=O)OC)CC2)[C@@H]1c1cccnc1 1802489756 LTMICDQLMXVFRT-ZLQADLMRSA-N 440.500 0.899 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807693313 VEBLIKZMMZMQDH-VJANTYMQSA-N 428.537 0.092 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCNC(=O)C2)n[nH]1 1822476772 RXDZKTIUXSDQTB-VGHLEMBNSA-N 428.493 0.786 30 20 ICED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1)C(F)(F)F 1824677195 MGEOUUVKHQDVSY-MRVPVSSYSA-N 434.396 0.717 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3F)C2)C1 1829762868 UOMNDIMCXTVDBP-XQQSMPNESA-N 437.493 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1829769478 VAPGZQJOOARVPM-DYRFGFBLSA-N 431.464 0.754 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1829903738 CJNPTOCIQYSSSR-JOCHJYFZSA-N 440.456 0.351 30 20 ICED COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830225460 SKIJOVOAQALOBW-HSZRJFAPSA-N 428.485 0.944 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1831387617 RGHHIGGNXURMCC-WZONZLPQSA-N 445.516 0.518 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831409210 NLDZDQFMVLTIMY-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831418911 ICHPHOZPCVTYCQ-IERDGZPVSA-N 425.526 0.196 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831525710 VLZXSMNWTKYUDS-OAQYLSRUSA-N 426.473 0.775 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cn1 1833435060 QFCBJOFREPWRBN-IIBYNOLFSA-N 449.508 0.746 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc4c(c3)OCO4)CC2)CC1 1834540432 ZAQDVHFGHRBINT-UHFFFAOYSA-N 441.484 0.617 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccncn3)CC2)CC1 1834715310 SEXLAUKAYLFQBC-UHFFFAOYSA-N 427.553 0.944 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c(O)c1OC 1835361139 BBYAWQAUASQKIM-OAQYLSRUSA-N 433.461 0.783 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680448 IBSFFQGUYOMEIR-VGOFRKELSA-N 446.552 0.491 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1835718797 XXSWLZKFKJXUBE-CRAIPNDOSA-N 433.557 0.379 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836189674 BSBKNDPRQINXSH-IGPUNGKJSA-N 426.473 0.793 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836422622 BELCIAJCYTYQEY-UHFFFAOYSA-N 430.557 0.132 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5c4NC(=O)C5=O)CCO3)C2)CC1 1837136799 QKBZOFFRYUQIGS-JOCHJYFZSA-N 438.440 0.195 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1837400733 MWOYZFBMIGLAOZ-VGOFRKELSA-N 448.520 0.518 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837402422 BBMOTJJGMGSENY-VGOFRKELSA-N 448.520 0.144 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486797 QGDALQXTVLUNJP-YKSBVNFPSA-N 447.576 0.626 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488507 IHFCKOMNZHJCTM-QFIPXVFZSA-N 430.505 0.189 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352465 JJFIVWFXLVBMIY-OAQYLSRUSA-N 448.476 0.065 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838733232 USHGXNUEYMFBGG-DRSNIGMVSA-N 444.488 0.546 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907055 WHNWVCIOBXKVLH-OPAMFIHVSA-N 428.489 0.495 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccno4)C3)C2)c(C#N)c1 1839131470 GIJSAKUCWMRABG-QFIPXVFZSA-N 440.456 0.868 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131898 GOFKBSYAXIGXGQ-QHCPKHFHSA-N 444.532 0.565 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1839175623 URBGWHRTIMZKCP-QFIPXVFZSA-N 431.489 0.590 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4)C3)C2)ccc1F 1839186329 NCGJEOIVTLOSIV-JOCHJYFZSA-N 439.447 0.800 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)c1 1839372820 HWIDPJAZOPAIBI-NRFANRHFSA-N 442.428 0.387 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810549 CWURFESONCNCGP-VGSWGCGISA-N 435.521 0.723 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13CC[C@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009832 WUBGAGXYKYWRAP-RTFZILSDSA-N 447.532 0.723 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CC1 1840165959 PNJZOYSZLXCUNG-FOIQADDNSA-N 443.566 0.630 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccc1)CCO2 1840349031 WMFWHUYWCCYUGB-NOABYQSRSA-N 430.505 0.364 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840494243 UPNJIKMMTXQECU-VGOFRKELSA-N 448.520 0.718 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840819540 QIKJGQYIHLEREX-QFIPXVFZSA-N 439.472 0.290 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1840845001 YNRVEZACRWJXGF-QHCPKHFHSA-N 428.485 0.886 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)N(C(=O)OC(C)(C)C)C1 1842947917 XGCXYWOTVXDMLR-CVEARBPZSA-N 449.552 0.348 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 12696707 SMWXILUWIKIMKR-UHFFFAOYSA-N 448.501 0.969 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 409523959 VQIGOQBAGVGAMR-CQSZACIVSA-N 445.523 0.627 30 20 ICED C[C@H](O)CN(C)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 439992701 JVSJEONLJMFCCB-AWEZNQCLSA-N 428.468 1.125 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCOC1 441946946 DCHZOJGMGREMBO-INIZCTEOSA-N 445.516 0.741 30 20 ICED N#Cc1cc(NCCN2C(=O)CCC2=O)cc(NCCN2C(=O)CCC2=O)c1[N+](=O)[O-] 462829895 OZYHHJYWAZWCQZ-UHFFFAOYSA-N 428.405 0.588 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488609524 ITPNIRNOIZAXKU-INIZCTEOSA-N 438.444 0.324 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)C2=O)cc1 488672744 HOAHEGJMRLVGJE-LJQANCHMSA-N 446.467 0.944 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 491258677 LMCFDFMSBHRQHZ-UHFFFAOYSA-N 428.468 0.705 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 503127286 RMULAVKGAMHUHG-INIZCTEOSA-N 446.533 0.962 30 20 ICED N#CCCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 505201169 MSROSXCZGBGQAX-UHFFFAOYSA-N 427.486 0.758 30 20 ICED Cc1nn(C)c(NC(=O)C(=O)NCC(=O)NCC#N)c1-c1ccc(Br)cc1 508958140 CEMNQHAMYWHJOB-UHFFFAOYSA-N 433.266 0.853 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 515263982 VCJIDQSPINOLAY-UHFFFAOYSA-N 448.487 0.936 30 20 ICED CCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 519900372 XYELNYLGXNLOPG-FQEVSTJZSA-N 447.517 0.502 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1 520335052 YTUIJOZAXBXZLT-UHFFFAOYSA-N 443.525 0.539 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1C 521861273 JJMYJAFEZSWGCD-HNNXBMFYSA-N 434.497 0.803 30 20 ICED CCn1cc(C#N)c(=O)n(CC(Cn2c(=O)c(C#N)cn(CC)c2=O)C(C)(C)C)c1=O 541783083 NXEQIMYPMMEVPV-UHFFFAOYSA-N 426.477 0.479 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1S(C)(=O)=O 542061886 KDPRZPVDGLRBOL-LBPRGKRZSA-N 434.453 0.314 30 20 ICED CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 556298852 HFKUSUFFDGHJOQ-INIZCTEOSA-N 430.490 0.893 30 20 ICED C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(C#N)cc1 565112089 GZNDOWYDTLDVFR-OAHLLOKOSA-N 433.468 0.624 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 570438301 CLPIZJCWDFPXQF-UHFFFAOYSA-N 430.446 0.489 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CC(N)=O 572174798 HLEHZPRFYFXCLU-UHFFFAOYSA-N 442.444 0.281 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2=O)cc1 575165665 CWZYLQBFVAOIDQ-RDJZCZTQSA-N 426.477 0.077 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 579296403 WVTLGYOGDDFVFM-AWEZNQCLSA-N 429.458 0.834 30 20 ICED CN(C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588868393 LAWHCGMQOYETKK-HXUWFJFHSA-N 425.533 0.966 30 20 ICED CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609444470 KDSQVTHNHXAZBM-LJQANCHMSA-N 428.514 0.994 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1C 613083452 MBATWLMCTSGMAH-UHFFFAOYSA-N 427.404 0.611 30 20 ICED COCC#CCN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 677817536 PMFYMVOHZKNSMM-UHFFFAOYSA-N 429.926 0.881 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 726334053 QSWBFYVSJPFOIR-HXUWFJFHSA-N 441.469 0.725 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@H](C#N)C2)c1 729980119 LTUDEZBUEPAEDJ-NSHDSACASA-N 432.296 0.738 30 20 ICED CCOc1ccccc1[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(C)=O 732910256 NGWRRUPEXBDWGR-SJORKVTESA-N 435.502 0.618 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 739174488 ZLFJHRPYSCNITE-UHFFFAOYSA-N 427.442 0.072 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743728796 XXHXUPCLMVIBQC-LBPRGKRZSA-N 433.511 0.537 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 743891938 TYKARJSTXBOVED-UHFFFAOYSA-N 425.420 0.619 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744878737 UQJIZZOUKPAZDM-LLVKDONJSA-N 445.519 0.451 30 20 ICED C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccccc1C#N 753653588 JJWWIGXZMLKXMK-OCCSQVGLSA-N 432.458 0.594 30 20 ICED COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 753997162 YJVKJMGKIILHIM-IBGZPJMESA-N 449.467 0.999 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758760713 PFSQPJNOZHONBQ-IAGOWNOFSA-N 436.557 0.941 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 765908043 QIYHLWFAFIPEJL-XQEBGNCTSA-N 447.517 0.271 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1)c1cc[nH]n1 772157640 WEEWCBZRQIVZFF-IRXDYDNUSA-N 434.541 0.711 30 20 ICED CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 775430398 OXPUOOISWJKHPG-HYEKCJMVSA-N 436.513 0.363 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)cs2)c1=O 782600189 GLGXBYAPYHNTQT-NSHDSACASA-N 441.962 0.925 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 784833088 FZEJTCOZTHUYMG-NSHDSACASA-N 440.434 0.685 30 20 ICED N#CCN(C(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 786996875 MPVABAOTUBQICX-LJQANCHMSA-N 428.489 0.800 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 787775322 CWMUTFVKDDRCTC-UHFFFAOYSA-N 436.516 0.754 30 20 ICED CNC(=O)NCCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796742735 CKRVQFAETSOFML-MRXNPFEDSA-N 435.506 0.828 30 20 ICED COC(=O)c1cc(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744399 KKKKPSWDQMJMHK-QWRGUYRKSA-N 429.389 0.854 30 20 ICED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808025632 NNUAZOPMKOGTKC-RDJZCZTQSA-N 428.493 0.585 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916775134 LMOGVMDHNHKCCW-UHFFFAOYSA-N 430.398 0.838 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)C1=O 919743489 RKNIQLKVSYSPLZ-NRFANRHFSA-N 446.508 0.892 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1116326124 OJRMRIYVLWBTPH-UHFFFAOYSA-N 435.502 0.391 30 20 ICED C=CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 1116588967 NFJXMNZLWZKHOG-SFHVURJKSA-N 437.518 0.777 30 20 ICED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1318516876 MWNCYTPSTQAQNZ-ZZEZOPTASA-N 448.568 0.638 30 20 ICED CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1360715639 WXZJFUACGUCORW-ZJIFWQFVSA-N 426.543 0.678 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl 1515068648 YIYAAEYCUBERPJ-GFCCVEGCSA-N 447.922 0.170 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCC1 1541908012 IJPQYBQMBDFDOB-OLZOCXBDSA-N 432.572 0.594 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1559942467 YEHULRKUWKYATF-SFHVURJKSA-N 442.925 0.650 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(NS(C)(=O)=O)C1 1640691041 YXRQDGATYPLACD-UHFFFAOYSA-N 432.296 0.858 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCS(=O)(=O)C2CCOCC2)[C@H](C#N)C1 1686529550 ZWFWYTAOUZUSNG-UKRRQHHQSA-N 430.527 0.638 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCO1 1722845805 YRBSDRBOODAEQT-UGKGYDQZSA-N 439.520 0.225 30 20 ICED CN(C)CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1729339193 SQPFPGPKFUGKKR-ROUUACIJSA-N 439.520 0.947 30 20 ICED CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1750531821 QHBWZIBIXCFVFQ-KXBFYZLASA-N 440.570 0.902 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1777986980 CEACHMLWXMKTSX-VFNWGFHPSA-N 444.513 0.546 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778138080 PSTFBYJPHWUKRM-DVSDUFGPSA-N 435.521 0.504 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1778762975 LXZUAKJPHBSTMT-KSEXMQBYSA-N 437.500 0.875 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428818 QDKJZXPECTYWTO-LXSUBRDJSA-N 438.525 0.554 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1782013730 DIEQHKAVKJXDCS-OXQOHEQNSA-N 433.392 0.949 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cncn2)C1 1782526319 OZNHZJSSTKDNJC-XHAXUSEASA-N 430.509 0.211 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783197906 WDDRFFRTSCVLLX-IFXJQAMLSA-N 437.447 0.636 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)(C1)C2 1783442931 BYBRGKOURQULDQ-IWAAJCSBSA-N 444.528 0.858 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1784031446 HCQFZSIZIHPZQI-ULQDDVLXSA-N 429.454 0.459 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc(O)ncn1 1784666730 XSYGIVPGEXRQNZ-BQFCYCMXSA-N 428.489 0.474 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383128 KUVOONATQDDASX-UPMCQBDUSA-N 426.473 0.807 30 20 ICED Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)nc2s1 1786695365 WKSXBDMQZYZEAQ-BPUTZDHNSA-N 428.518 0.925 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789767415 IEVCRXJDYYTMPP-HLXURNFRSA-N 431.533 0.405 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)n3)C[C@@H]21 1791073953 FYTQLSQFFXGGOT-QEJZJMRPSA-N 439.390 0.711 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C)n1cnnn1 1797730617 QVZBXCFHCMCRCE-VXIBKDFQSA-N 432.601 0.875 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccnc(Cl)n1 1798080513 JPXFWBTYULFNOD-CWEBUXBASA-N 437.884 0.862 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)cc1 1800391923 IERBYLHEYIUKQP-RDGPPVDQSA-N 431.514 0.533 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCC(=O)OC)[C@@H]1c1cccnc1 1802482122 MCEIKTNXLJVDTE-GUEKAFECSA-N 428.489 0.899 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804353968 MGNBCKWVADXCBW-WSTZPKSXSA-N 446.467 0.871 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)N1 1806635401 IYFYYEUQROGRPR-JKNZDCDFSA-N 426.521 0.838 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1806949162 OSDIVXQKYAXVND-SYYKKAFVSA-N 428.533 0.848 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812883165 VLUBNBGGCKLXFX-NBCNXNJRSA-N 448.479 0.994 30 20 ICED CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)C(=O)O 1817369023 SHQUWAQWEYSGKU-ZULXWNRWSA-N 433.513 0.936 30 20 ICED O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817615342 WDUIBNUFFDJGQF-MQFVPBGYSA-N 431.457 0.618 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1829629585 AWIIJNXSYZYDND-QHCPKHFHSA-N 437.500 0.844 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCOC4)C3)C2)cc1 1829908100 BCRFWIVOPHSFHH-NZQKXSOJSA-N 427.501 0.984 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830767724 CUEXGVOFUMPFFO-PGRDOPGGSA-N 435.569 0.209 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831425552 AWRPXOQTOAWQNH-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831425836 FMZQFDGVILFYQZ-JTSKRJEESA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1831498837 RBNDGVGEKRPDBU-UHOSZYNNSA-N 432.539 0.013 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022566 BYXZFCZKKNEYHM-FDDCHVKYSA-N 445.516 0.526 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncccc3c1)CCO2 1832039353 XFFXIGHPYOKIGW-HSZRJFAPSA-N 437.452 0.322 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)C3(O)CCC3)CC2)CC1 1833065668 HMZMIOJCQOTHPY-XFHJGTJQSA-N 446.592 0.968 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)cc1 1833522443 VGWSANCHFOXDLC-HXUWFJFHSA-N 427.486 0.722 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(O)n1 1833699353 ZXUJASZPZBUFCF-NRFANRHFSA-N 442.476 0.408 30 20 ICED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834653958 FNPSEHHCQIIJJD-OEAKJJBVSA-N 437.614 0.656 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C)cc1)CCO2 1835076624 SMAIMIBYBXJGDH-XXXZYALBSA-N 441.528 0.852 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095790 DWMBKUXXNRGDAM-XMMPIXPASA-N 441.528 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835121252 OXUXEKDHBOWSPH-TUYSUELWSA-N 447.580 0.283 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4-n4nccn4)C3)C2)CC1 1835345939 LSEHSKMZIVZASA-JOCHJYFZSA-N 436.472 0.641 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1O 1835346281 ZENXCJLTOFFEMH-JOCHJYFZSA-N 442.472 0.724 30 20 ICED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835387141 VYNTUHXHSJWNNT-LYSGITKLSA-N 435.546 0.895 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2)c1ccc(O)cc1 1835534273 ZZWRWWONRBHHFS-DRMXPCRNSA-N 443.544 0.940 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835602221 NQPFEISNVBAQSP-HYVJGQCMSA-N 444.532 0.767 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677340 GBXGXXQTWUJVDG-OAQYLSRUSA-N 432.525 0.378 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835949225 DQSFKQNDBBJHRL-JBYIUTFZSA-N 431.489 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836643428 DDNNTEGENWRHEZ-DHJUGAMNSA-N 428.485 0.485 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684783 KPFJYQHHAZHALE-NFBKMPQASA-N 442.516 0.257 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837150594 QKMHWUKDGJVDNX-QFIPXVFZSA-N 445.541 0.919 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428312 AFXSBZOQCTVLQK-NRFANRHFSA-N 447.612 0.936 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1837489529 LMSFZIRLHVXZLX-QFIPXVFZSA-N 430.505 0.038 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837794970 KRHUQPSYBYRJPW-LJQANCHMSA-N 437.493 0.784 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837843462 ICBFMXVUDAHFKI-NRFANRHFSA-N 433.484 0.573 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c1 1838580950 WUMASRDDLMUHSN-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c1Cl 1838598371 CTYPACJMMJOWEX-HXUWFJFHSA-N 445.863 0.158 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732245 JIVCGYNAZYZCFO-HXUWFJFHSA-N 428.449 0.012 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742923 RKUJHKCAMFYMFX-UWJYYQICSA-N 431.493 0.261 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838905973 JNVDLYLCWORNPM-QFIPXVFZSA-N 438.440 0.748 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)nn1C 1838949428 CAFMTOLXSTVFJE-HSZRJFAPSA-N 437.500 0.913 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839223211 PLZSJJTZIVJAJE-IERDGZPVSA-N 441.525 0.976 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839226682 UMNJAXVDAHEHLF-UTKZUKDTSA-N 439.509 0.753 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273573 JYANAWSPAFIUDM-QVKFZJNVSA-N 449.460 0.962 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1839419650 NUOXKVWNKNGNOG-QFIPXVFZSA-N 439.447 0.800 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451147 BIJJUARVCZFMAP-HSZRJFAPSA-N 442.516 0.805 30 20 ICED COc1cc(C)c(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839465088 AWHZCJCLKHUYPR-JOCHJYFZSA-N 430.457 0.470 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2)C(F)(F)F 1839519033 QUSBQRAYQYSTQN-SFHVURJKSA-N 444.410 0.854 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc2nccn12 1839549025 PIUULPBWASIWIB-QFIPXVFZSA-N 449.471 0.621 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)CCC1 1839652477 HBUIONNDUVASNC-OAQYLSRUSA-N 429.477 0.265 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839655019 ZMCXQSMJLWZYJL-OAQYLSRUSA-N 445.545 0.112 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(F)(F)F 1839891759 WDQQECCSAZFFMN-MRXNPFEDSA-N 447.370 0.366 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1840041773 HVHZXOIOHSDKLE-FQEVSTJZSA-N 429.385 0.093 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840161592 USWFQJZLOIOCFC-PNHOKKKMSA-N 435.502 0.496 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)OC)CCO3)c(C#N)c1 1840211309 ZRQBWUKVEGCHJS-OPAMFIHVSA-N 431.489 0.601 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1841612795 UPUCRTJINNNROV-CABCVRRESA-N 438.525 0.550 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842949844 UJNHUXBHDSQBFD-LSDHHAIUSA-N 438.525 0.722 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845223183 YCLGDMGZFKUKGM-INIZCTEOSA-N 431.493 0.979 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 438733555 PMZNOCXHNABYFR-DZGCQCFKSA-N 438.531 0.597 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440383025 TXPIGDYVWUMKPU-UHFFFAOYSA-N 436.497 0.855 30 20 ICED CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 440898639 FGQJUUIYYNIOAE-INIZCTEOSA-N 440.504 1.517 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1occc1C 460604342 YUSSUKIPOWHDND-UHFFFAOYSA-N 435.444 1.224 30 20 ICED CC[C@H](C)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@H](C)n1cnc(C#N)n1 467470070 WVVLZDRORYWMSB-VGWMRTNUSA-N 438.496 0.521 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 478939652 XDOYLKAHSZQVAB-SJLPKXTDSA-N 436.534 0.175 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 480499315 OUZZFROPTXEINJ-LBPRGKRZSA-N 449.514 0.430 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486596447 BJMPGGQIONSZSC-SFHVURJKSA-N 448.526 0.546 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 490058998 VGESDPVVWLHKNG-KRWDZBQOSA-N 428.489 0.638 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1=O 520509514 OGOOTCZJQNFWDA-UHFFFAOYSA-N 427.505 0.600 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 537446944 ZSJRHSFGVRVWIK-UHFFFAOYSA-N 436.534 0.997 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c(C)c1OC 562878782 OYJZYBUHCHDEBN-UHFFFAOYSA-N 429.498 0.449 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 565125355 AOVYCQQMVNEUNF-WBVHZDCISA-N 441.550 0.706 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 580734384 ARLOYHDRAPDJMC-QUCCMNQESA-N 427.549 0.212 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1C 618460654 FDGPBCZRKLZAQN-UHFFFAOYSA-N 442.541 0.343 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 619451498 KRVMGHMFCRLGBB-UHFFFAOYSA-N 436.515 0.202 30 20 ICED Cn1c(N)c(C(=O)COC(=O)c2occc2COc2cccc(C#N)c2)c(=O)n(C)c1=O 726692519 XMHGJLJTCKCJNY-UHFFFAOYSA-N 438.396 0.750 30 20 ICED CSc1cccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 732910200 LFVPEPDRGTZDDG-BBRMVZONSA-N 435.527 0.727 30 20 ICED C#CCNC(=O)[C@@H](C)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 733796347 DSNVZWSLOHQCCM-OAHLLOKOSA-N 442.379 0.978 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(C=O)cc2Br)CC1 742642533 QIRLCJOVDKNWEU-UHFFFAOYSA-N 436.306 0.924 30 20 ICED C[C@H](CC(=O)N[C@H]1CCCc2c1cnn2CCO)/N=C1/NS(=O)(=O)c2ccccc21 743310051 WTJDAWOOPATHBD-CJNGLKHVSA-N 431.518 0.886 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NC(C)C 746527123 ZSJDWSKQUZVWLX-HNNXBMFYSA-N 444.579 0.584 30 20 ICED N#Cc1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)cccc1S(N)(=O)=O 754977270 QLDYQNUISFUDDT-UHFFFAOYSA-N 425.514 0.917 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756232984 YRWLOUJCTXXZPU-DSIZOQBWSA-N 425.416 0.700 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc2n(C)c1=O 757587471 JXFZHDFCRAQWQM-GXTWGEPZSA-N 428.449 0.121 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 758060045 XSKTZAAVXPQOPP-UHFFFAOYSA-N 449.532 0.618 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 758078074 YDWZYGKZENBHOQ-UHFFFAOYSA-N 447.438 0.924 30 20 ICED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770869019 QDRJSTCBKXFSJW-QGZVFWFLSA-N 430.486 0.965 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)ccc1F 771892654 TYEMGKRPXLAFAH-UHFFFAOYSA-N 433.259 0.688 30 20 ICED CON=CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 774347607 DBPXOVVXXDBWBB-UHFFFAOYSA-N 432.886 0.390 30 20 ICED COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 774588478 IUKAVBXYPAANGB-OAHLLOKOSA-N 434.522 0.999 30 20 ICED C#C[C@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775797540 DQVMQHMNRQAFTA-IRXDYDNUSA-N 437.518 0.425 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 780065198 DHXXLHQTBYLXAW-OLZOCXBDSA-N 437.499 0.928 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCn2cc(C(=O)OC)nn2)cn1 790016494 LPRXVSRHVMOFPY-ZDUSSCGKSA-N 434.482 0.049 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCSC)c2=O)cn1 794642609 MEZZHNCYRCXMBI-HNNXBMFYSA-N 432.571 0.988 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@H]1CCCO1 804104442 JKXMORVCJHEFNC-UYAOXDASSA-N 427.501 0.642 30 20 ICED COCC[C@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 809015738 NDCAYSGASCLZQE-LJQANCHMSA-N 440.497 0.727 30 20 ICED N#CCOc1ccccc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 920413305 NMIXVDNYTYJNEP-HZPDHXFCSA-N 436.486 0.940 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 1290865225 NBAAHNROPVPXKY-QGZVFWFLSA-N 438.584 0.989 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297777105 HSROJFRFEPTVHR-INIZCTEOSA-N 433.538 0.962 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 1321333703 AUPXBMTXMDXGDF-FXAWDEMLSA-N 431.518 0.087 30 20 ICED Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 1321960835 PUIBGYZKQUJHOF-LBPRGKRZSA-N 437.503 0.228 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)CC2)c1C#N 1466921999 SLGSOVVSHAQLEU-UHFFFAOYSA-N 428.927 0.925 30 20 ICED N#Cc1cn(CCNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c(=O)nc1O 1470361265 QJIWKCSBCLAPDS-UHFFFAOYSA-N 437.313 0.989 30 20 ICED COc1ccc(OC)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1504299740 MIJKKDOOVKWDMC-PBHICJAKSA-N 447.517 0.974 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1508427027 XHBXYBOMKOWAFV-KFWWJZLASA-N 429.568 0.743 30 20 ICED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 1516676233 WSTDWOKGCMIZOC-SDDRHHMPSA-N 425.488 0.532 30 20 ICED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1565661787 MXFQNDOKLLYAJD-CABCVRRESA-N 427.324 0.850 30 20 ICED COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC 1619597522 UTJPIVWILBYNDI-GOSISDBHSA-N 428.493 0.949 30 20 ICED COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1697818989 WDXGCPYWEVUOHZ-YOEHRIQHSA-N 434.522 0.812 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1=O 1712478842 IQKDPPCWPJOCPN-GOSISDBHSA-N 426.477 0.527 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1722863811 MSVPWLSURQYJIW-CABCVRRESA-N 425.559 0.349 30 20 ICED C[C@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1743368146 UEXGBXWNKKHLQU-HOTGVXAUSA-N 445.549 0.719 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1747467117 FXSUSRBJSVMPLO-AZYRPFHASA-N 443.533 0.711 30 20 ICED Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1777742803 DVORAZFRMAQXFW-RBDKEGKMSA-N 434.497 0.770 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777988945 QQYHCHZFWXDREM-NRFANRHFSA-N 427.461 0.682 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118140 VQVHSVGBCVZSKD-UZLBHIALSA-N 427.567 0.700 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779066122 CLIJBIRGNHFIIB-QHCPKHFHSA-N 437.500 0.871 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099101 ALIUDLLOAOOURM-XZYKOBSISA-N 438.525 0.508 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381391 ZZVFCTBAXYCSRR-HOTAGGJMSA-N 436.425 0.290 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1781264650 KIUZCDAFWXRTIA-FQEVSTJZSA-N 425.551 0.375 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2 1782009748 XMFCCLLYCOHHPI-JDCWHPJTSA-N 440.496 0.884 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccnc3nc1O)C2 1782015245 FJVODHMPWBEKST-OPAMFIHVSA-N 438.440 0.551 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782450813 UMLIRMFTOFCYJO-DYESRHJHSA-N 431.541 0.464 30 20 ICED CC(C)N(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1783554552 BTAWHJKDSGESLZ-OAQYLSRUSA-N 437.493 0.550 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)ccc1F 1783958679 MSKLSPUVERXHQC-FQEVSTJZSA-N 435.477 0.888 30 20 ICED CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784021684 SGMWFOVDBOWDPH-LKDLHRMNSA-N 425.526 0.902 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cn1 1784759449 MAOSANQFWIRURU-BZSNNMDCSA-N 429.521 0.965 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788824 GULLHNJJJPWNJR-VGSWGCGISA-N 434.537 0.295 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631347 MEIQNJNDUHIHQX-XWSJACJDSA-N 433.549 0.579 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21 1788658276 ILIZFDIFYRBEQG-FJFMGBJNSA-N 435.477 0.894 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)cc1 1790579265 HSABXNQVSJQLJH-ACRUOGEOSA-N 449.511 0.727 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792507377 VUBWCIXEVPQRKG-GNBUJSLZSA-N 442.564 0.863 30 20 ICED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1793987030 PXBDQNWHJNIXBQ-FTBGXLHUSA-N 429.521 0.694 30 20 ICED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)[C@H]1SC(=N)NC1=O 1796881785 YLXRCLSAIDDQPL-LIGIIDDXSA-N 434.566 0.899 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797811777 VYWOWQAILHCUSM-DQSPCUGLSA-N 436.425 0.050 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798459356 FOCFEYYOPCWJKE-PNBKFKSVSA-N 429.477 0.125 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800154888 NUKICSQRIXTZKH-LXDWIVHCSA-N 440.544 0.915 30 20 ICED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c(Cl)c1 1800691098 OVZUFHOVUJTOBC-BJWYYQGGSA-N 434.924 0.750 30 20 ICED 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 1800983923 APQYOIQJVMZSJV-AHDPXTMNSA-N 430.571 0.136 30 20 ICED 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 1800988879 YCGXMMXHLQKTKU-USRAEIGSSA-N 431.555 0.170 30 20 ICED COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1802083501 AYZRDGNIVBVRAR-REPLKXPHSA-N 438.569 0.976 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810357114 OLRMYJHKUBOCCP-YYLIGAKGSA-N 443.504 0.895 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1811406973 ILADFPNJHYPTKA-LAUBAEHRSA-N 446.471 0.968 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)c1 1811407774 OIZLJOKIJMAGEH-UZLBHIALSA-N 435.488 0.765 30 20 ICED COc1ccnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1OC 1811651003 UZAYOLBCPQYLFA-MGPUTAFESA-N 438.440 0.901 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1814063387 DYXXSHZBGJIYSE-NVJIOZQYSA-N 449.511 0.761 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318916 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1831397117 UNYAGZNEUWBBCP-QMHKHESXSA-N 441.484 0.038 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831432714 MDTKPKFZLNYDKH-ISJRUSPKSA-N 449.548 0.435 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831631110 YJHAMTUPQVVRPX-ZHRRBRCNSA-N 431.489 0.919 30 20 ICED COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832999715 ZAXQMDICHJMAKH-QHCPKHFHSA-N 427.501 0.893 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192591 LQGUIOFRTVZVJO-IQTGRTGDSA-N 428.445 0.569 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565749 LXRBDFQHJOHVKM-LJQANCHMSA-N 425.570 0.794 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835146450 QDNXWXCBVYKWFZ-OAQYLSRUSA-N 436.530 0.883 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339849 VHXMMLFHIYRTDC-VGSWGCGISA-N 427.505 0.752 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cs1 1835673140 XKKKSVZNZXCGLM-HXUWFJFHSA-N 435.550 0.803 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1836071319 IGRFLXZNXYRKOF-KQBANSRISA-N 431.449 0.089 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CSc4nc[nH]n4)CC3)CC2)c1 1836170570 CLKCOAWVQBPSAW-UHFFFAOYSA-N 442.549 0.982 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1837311473 GARJTNMGTUGYOP-YHYVQYDKSA-N 438.521 0.827 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837561648 ZGVQQXTZKKPGOK-IQTGRTGDSA-N 429.429 0.422 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564352 IZYUPYQWKJCMEH-HPARJBSBSA-N 442.472 0.167 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1837791735 BPDVZPJRICLLSJ-SFHVURJKSA-N 431.581 0.925 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1838492189 GTGLHYDUOLQFSH-XOBRGWDASA-N 447.517 0.828 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1839460129 GFDMKXMZFIFEQC-QFIPXVFZSA-N 427.457 0.737 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839481862 CBOMPCVUKPTDNB-LJQANCHMSA-N 428.405 0.455 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629978 CHRALXKBPJMFTE-GCJKJVERSA-N 443.504 0.601 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1839807209 PJCGJKWYRRRNIX-HSZRJFAPSA-N 426.517 0.383 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1)C(F)(F)F 1839892042 PBUIEXUHPFQAQN-KRWDZBQOSA-N 432.399 0.617 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840293965 FIBCNSWYXCNJIH-QFIPXVFZSA-N 425.489 0.993 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384182 RDXADPMSFUIPDK-RXVVDRJESA-N 435.525 0.921 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cc1 1840646741 QIMAPTHBTPLLPB-VWLOTQADSA-N 447.491 0.907 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916096 PWKWBNNWRPMREP-NWFVXXGESA-N 447.532 0.864 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1841745111 BNFLMAZFERUALF-HNNXBMFYSA-N 437.541 0.930 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c(O)n1 1842297064 NZPFUSOOQNOUMA-UHFFFAOYSA-N 449.471 0.768 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)c([N+](=O)[O-])c1 14211316 NPACWKUWQFREDT-UHFFFAOYSA-N 437.434 0.687 30 20 ICED C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409585107 ZMHHKUMWIFSXSO-DOTOQJQBSA-N 432.506 0.884 30 20 ICED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 434693532 GBEUUZFCXAGOIO-BXWFABGCSA-N 436.534 0.744 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1=O 440257095 OICDGIQSKNZEAN-SFHVURJKSA-N 444.557 0.988 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1C 440304122 FXFBIDPSQAAEDW-UHFFFAOYSA-N 426.868 1.452 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 441943610 URVBGGBAMQWSCH-AWEZNQCLSA-N 440.481 0.660 30 20 ICED CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc2O1 443750673 CXIHKLDSNYYKSH-LJQANCHMSA-N 437.518 0.790 30 20 ICED CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1(C)C 447290175 JZQKDHIWHJTGHT-KKSFZXQISA-N 429.452 1.504 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1C#N 461202675 SGAUVGDIZYERJX-INIZCTEOSA-N 432.550 0.153 30 20 ICED C[C@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 468929589 KHCJCOHKRFETPO-MRXNPFEDSA-N 436.534 0.915 30 20 ICED COc1ccnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1 481796590 AVHWNJVMLHPRQK-OAHLLOKOSA-N 429.502 0.977 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 490284350 LFWCKTGGZJNXPL-CQGGRAHPSA-N 449.558 0.959 30 20 ICED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 499999815 WCJRWWODRZDUTE-YOEHRIQHSA-N 438.550 0.991 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3CC)c(=O)n2CC(C)C)CC1 512791048 XOIMLIQLFKHYAL-UHFFFAOYSA-N 442.589 0.449 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3cccc(Br)c3C#N)CC2)CC1 519793778 TUGCPMBJOJWWQM-UHFFFAOYSA-N 428.356 0.935 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)c2ccccc2)CC1 543809253 LEGOPWMHALXUIB-LJQANCHMSA-N 428.514 0.714 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c1=O)OCO2 544732162 VZPVEMMIHHHGCK-UHFFFAOYSA-N 425.466 0.764 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc(S(C)(=O)=O)c1 551189618 ODUNQBSNFYGHGT-UHFFFAOYSA-N 443.485 0.653 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 553672058 IOHMEIUVIKRSMO-UYAOXDASSA-N 433.597 0.592 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccnc3N3CCOCC3)CC2)c1 559692669 FXVGYCCLMNSHJI-UHFFFAOYSA-N 435.488 0.150 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)n1 566767876 RCMXQPNHNCKXMJ-OAHLLOKOSA-N 437.847 0.944 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 566859952 ATNUHUHNPZZIRL-HNNXBMFYSA-N 425.532 0.606 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 576334881 ZESAKYJUWRKPMM-IBGZPJMESA-N 427.549 0.677 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 578169188 RQQBGOJXCDIOQH-RTWAWAEBSA-N 425.533 0.701 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)nc1 578564170 KKOWMCCQBMWNAR-CRAIPNDOSA-N 447.451 0.863 30 20 ICED COc1cc(NS(C)(=O)=O)ccc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 580945149 ZHXNQQHZSAFVJN-UHFFFAOYSA-N 438.487 0.855 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C(=O)N1c1cnn(C)c1 589038855 YTFUAGINRLVDNI-WBVHZDCISA-N 435.488 0.509 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168942 NIGVEWVELWIDRD-UHFFFAOYSA-N 436.472 0.708 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 608553258 PASANRHCCHNZRL-DYVFJYSZSA-N 439.476 0.976 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 609050068 JBKPIIPTRIMGMK-UHFFFAOYSA-N 435.423 0.664 30 20 ICED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(CCC#N)CC1 611173580 BENBNIBKVFONIM-KRWDZBQOSA-N 435.550 0.566 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2=O)cc1 617091859 HYXDKHYUOYBYIL-INIZCTEOSA-N 433.424 0.745 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 619825825 IGRZYTLKLYSBRQ-UHFFFAOYSA-N 431.522 0.638 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)c(F)c2)c1=O 731494635 AFCYFTGQINDZAL-AWEZNQCLSA-N 433.505 0.658 30 20 ICED C[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC(=O)NC1CC1 733832317 IHLDVJBGESQJCA-XHDPSFHLSA-N 427.417 0.683 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 736556469 LNWIFCRVSBAZLE-UHFFFAOYSA-N 445.463 0.459 30 20 ICED COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)NC1CC1 740458148 IDEIYRHZEMBYII-ZCXUNETKSA-N 449.489 0.784 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1CCOC 740852799 HHCOJOMUUSUUPQ-UHFFFAOYSA-N 438.509 0.370 30 20 ICED C[C@H](CC(=O)OCCCn1cnc2c(N)ncnc21)/N=C1/NS(=O)(=O)c2ccccc21 745497839 UJXGXUUAYZXDRN-GFCCVEGCSA-N 443.489 0.859 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccon2)C1=O 747454677 VSQNQODIACTRQT-UXPDKRSESA-N 437.503 0.458 30 20 ICED CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 748984178 VMPZFDJXSKFONN-OAZPQLMHSA-N 435.506 0.175 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)CC1 750002660 JUNLAXMXKSWIFO-KRWDZBQOSA-N 434.566 0.163 30 20 ICED COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1-n1nnnc1C1CC1 754182587 GJFAJENIKSEWIC-UHFFFAOYSA-N 447.459 0.982 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 761024546 PJRIJPOGOCQHSH-HOTGVXAUSA-N 436.534 0.109 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 761030237 FIFUROBMSNXNLX-QGZVFWFLSA-N 433.534 0.416 30 20 ICED CC(C)(C)c1ccc(C#N)c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 767196910 YBRLBSLTAFWAGC-HNNXBMFYSA-N 426.564 0.890 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767681917 TZJRHKNESTZERL-QWHCGFSZSA-N 444.469 0.894 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCOC 772279980 UCRHGVJAETUXFW-UHFFFAOYSA-N 431.514 0.139 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 783348191 YRCQDMRHKNGKQA-UHFFFAOYSA-N 449.938 0.535 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787759974 QOWYVCSMVYYGBS-GOSISDBHSA-N 431.456 0.665 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788107732 WEUHDVVCPNEHII-UHFFFAOYSA-N 426.502 0.474 30 20 ICED C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cn1 788211506 HFPZPQWECBKQEZ-UHFFFAOYSA-N 431.518 0.533 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3oc(C(=O)OCC)c(C)c3c2)CC1 788887240 SVBIJGWWTSGJMT-UHFFFAOYSA-N 447.513 0.974 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc[nH]n1 789957814 XPEAGCALLBUCMT-UHFFFAOYSA-N 430.421 0.951 30 20 ICED C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327940 MXTRBFKOLAUKKI-CYBMUJFWSA-N 431.474 0.608 30 20 ICED C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 799081858 PKIFOSMJGBVHHA-AEFFLSMTSA-N 435.546 0.961 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 799285999 FFTYJLYUOXRZNO-INIZCTEOSA-N 437.518 0.699 30 20 ICED C[C@H]1C[C@@H](C)O[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 800299813 NVOWPAOOIBFUGG-QMTMVMCOSA-N 435.502 0.748 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 803106303 UTDRCUUTVUKJKM-JSGCOSHPSA-N 448.505 0.716 30 20 ICED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805778884 LLPLUNNZDUGJBK-QGZVFWFLSA-N 436.871 0.866 30 20 ICED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808028990 OQJBXWPOGWOXLU-NVXWUHKLSA-N 428.493 0.585 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 838243200 PALHNRGXLBTUIG-OAHLLOKOSA-N 437.525 0.670 30 20 ICED CC(C)[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 876701833 YNMOARPJQYRYKW-GOSISDBHSA-N 437.518 0.932 30 20 ICED Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)nc1=O 917009899 BYDBSORCCYJBQU-AWEZNQCLSA-N 426.389 0.065 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(=O)N(C)C 918730251 UYRVSUSNDKVDFE-UHFFFAOYSA-N 448.907 0.596 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 920399459 QLFVNDSJTIGPLJ-UHFFFAOYSA-N 440.573 0.309 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 921130447 LJTLATXTQATKJM-UHFFFAOYSA-N 433.328 0.966 30 20 ICED C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1288901203 RZHIAOSUZGXFDR-JOQOYGCGSA-N 437.547 0.878 30 20 ICED CC[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297793429 PUFFJEVZBWVLIS-ZYSBOAIWSA-N 442.549 0.871 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)cn1 1298818859 NZWVOSBRASQDBJ-INIZCTEOSA-N 442.505 0.386 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)CC 1305742075 RSCMVWMNNLUOAM-UHFFFAOYSA-N 425.559 0.876 30 20 ICED CCN1CCN([C@H](C)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818312 MPMNRBRCEOXODB-VQIMIIECSA-N 426.521 0.905 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359151064 MCKJMTDJEBASEH-AWEZNQCLSA-N 430.962 0.143 30 20 ICED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1463631926 YQBNRWODASRFEI-MRXNPFEDSA-N 434.971 0.743 30 20 ICED Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1511565351 LEBJPPNVNALXNW-BXUZGUMPSA-N 425.540 0.625 30 20 ICED COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1519113634 XMRCYEJKLVTJJA-QAPCUYQASA-N 428.534 0.590 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1541803993 PAEXXFBZSPCPOV-AVNFZHSVSA-N 444.583 0.260 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1548329061 XTTFOFMZUMMFNT-CXAGYDPISA-N 427.506 0.343 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1636784437 QOYCLAIGROMUSI-INIZCTEOSA-N 447.561 0.557 30 20 ICED CCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1696176728 MCJFIQHEUONAFH-HZPDHXFCSA-N 432.506 0.751 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1698490342 SOZBZVMOWXFGIF-MSOLQXFVSA-N 436.582 0.767 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1711363275 MTAAKALSMLRHOY-KRWDZBQOSA-N 426.477 0.309 30 20 ICED CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712695162 LJHVYFHAFDWOMT-DLBZAZTESA-N 444.517 0.551 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)CCOC1 1728796468 WDXXYPFCODDENW-QZTJIDSGSA-N 442.517 0.408 30 20 ICED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1747974260 QWOKPLKPISJDSZ-UHFFFAOYSA-N 448.549 0.542 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1750387696 ZAHNLJJLNHMYTJ-MJBXVCDLSA-N 427.431 0.842 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778091313 OPUQLLKXBUUWDA-HDMKZQKVSA-N 433.596 0.244 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104543 BGGRHFCOUCOKSO-BFBBCPQRSA-N 429.539 0.459 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781052464 JDTWSTKZVNHZAU-IXFSTUDKSA-N 445.564 0.499 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781736846 GBRRUNFEUWNFSL-QFIPXVFZSA-N 427.457 0.055 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)c1 1782058127 HBZABYJZUFANBE-YADARESESA-N 439.560 0.946 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666192 HJUUVGRBWJPFBR-HZUJVAHNSA-N 434.562 0.984 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)C(F)(F)F 1783208562 CLIFIKPUSKKZTE-HNNXBMFYSA-N 437.465 0.795 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378516 HKQLCWCTUBXNBA-KKSFZXQISA-N 429.477 0.214 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199634 LEGCXVBKOKJJMI-XSDIEEQYSA-N 426.517 0.781 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1788573335 SJCILNZSXDIOKQ-VGWMRTNUSA-N 426.583 0.023 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788788906 MWJXUURQODNNHX-OVWQWFNUSA-N 430.505 0.557 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791108418 PEIQTAMCTYVNSL-PJVZLEMVSA-N 449.548 0.750 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1791267188 AEDJNENIJJQSMV-IEZWGBDMSA-N 433.530 0.882 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145771 VTSHJDRJVYTXSX-LNLFQRSKSA-N 443.504 0.188 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)C2 1792489994 DFRGNXBCGDTKGY-JQZHVSJNSA-N 445.516 0.190 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1793354491 XEJOGXRTZXEUEC-RDPOXOKHSA-N 429.517 0.939 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793384041 MEUVKTQDNUXULS-JJTUDDRGSA-N 430.523 0.025 30 20 ICED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1795355034 AXRHQSOTZBVXAM-OPMZPASUSA-N 431.489 0.362 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@H]1CCCCO1 1797791000 GEJKHUMHZZQNCJ-UFIVBPFWSA-N 437.562 0.694 30 20 ICED CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797811353 LOOQRNPBYKYOTN-QEYORNDXSA-N 434.497 0.591 30 20 ICED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=N/O[C@H]3CCCCO3)(C1)C2 1797816454 KMRKHPXQSQKZDF-CSSDOOHLSA-N 449.504 0.448 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1798550252 OTRMTTHWPVMZIO-DXFUESDRSA-N 441.536 0.705 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1799393055 SGUIAAQLFGXJII-VWPFQQQWSA-N 447.517 0.760 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800672892 MHBABCFKCWUFPP-XEMDLRDOSA-N 449.548 0.799 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OCC(F)(F)F)n1)C2 1800773312 JXQZBXNVEQZMSH-DPIQGUFMSA-N 441.362 0.314 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1Cl 1801733963 WPSZCPFRUUTARD-BJWYYQGGSA-N 434.924 0.750 30 20 ICED 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)CCO1 1802235755 NCYGFOSLWFBSGN-RBZJEDDUSA-N 443.566 0.530 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190237 DDFHXIVCIFAUFR-UWJYYQICSA-N 425.489 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCc3nc(N)n[nH]3)CC2)C1 1804856162 RYMMRFMVFWTFQN-ALCCZGGFSA-N 429.525 0.409 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811532560 HQNFOAIDHJBUNB-KXBFYZLASA-N 435.444 0.153 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1811888927 ALGVNLCTDVVCMN-QZNHQXDQSA-N 449.511 0.923 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812388778 PTVKKBKCODPIRM-XLIONFOSSA-N 446.504 0.613 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389631 HTFPVKJRNLBTGD-DENIHFKCSA-N 448.479 0.682 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)C1 1829668790 CTZFRLQMYAONQJ-HSZRJFAPSA-N 425.485 0.966 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 1829765205 MJLLUZJFRVZRRH-KSEXMQBYSA-N 445.491 0.683 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1829766384 VVGBYKGAGLXILS-ICTHTSFCSA-N 445.520 0.140 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1829769468 ULRYBELDLXBDET-LXHZQTKUSA-N 447.463 0.460 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c[nH]c(C)c1C(=O)OCC)CCO2 1830942300 IOFLTPQLANHRSE-QFIPXVFZSA-N 431.489 0.522 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831418418 BYXFSWVKJWMKOP-DHJUGAMNSA-N 446.500 0.874 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831434680 FOENWDDEOVNPTL-SZNDQCEHSA-N 436.461 0.465 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197865 BXVINDXPACMDKC-HTAPYJJXSA-N 443.504 0.479 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1832461009 NYFORRGWRJSSQD-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1833074854 CARAHAHTGMRGGE-ARJAWSKDSA-N 442.520 0.226 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304416 GPVLSKCGINLFAL-UZLBHIALSA-N 436.534 0.205 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1834605924 XLRZGKFJSJEUIF-UHFFFAOYSA-N 425.493 0.924 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834769553 LDOOZFGGHRSFLA-MNQSQUENSA-N 441.484 0.676 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835351911 FATRZGHKKLHIQY-UGKGYDQZSA-N 426.473 0.940 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835626192 HAUOYLQZNXLHIK-OAQYLSRUSA-N 425.445 0.821 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506289 XUZFUFRCVNINSZ-REWPJTCUSA-N 428.533 0.601 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868782 DXHBOJOQYLYLJC-FQEVSTJZSA-N 431.518 0.719 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441003 MBNBHIMGHWCRLN-XOWGOQOESA-N 432.525 0.445 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488576 LHAVHBZSTWATPH-QHCPKHFHSA-N 442.516 0.554 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CCC1 1837533245 MAWISBCTZSGWCW-XZYKOBSISA-N 434.493 0.666 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cccn1 1837533444 UVECKHSYXNPTGJ-WBFUMKGTSA-N 449.508 0.430 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837564559 XPUYGYAKWODCBM-ZJHLSYPMSA-N 431.445 0.554 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1Cl 1838598021 KLFAMXKFHQGJOM-HXUWFJFHSA-N 434.880 0.547 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnc4S)C3)C2)c1 1838732743 AKTNUPGLAVVJOT-FQEVSTJZSA-N 427.486 0.954 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734959 QNIZINNKZFBSMS-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn5ccnc5c4)C3)C2)c1 1838736921 BTVAOPHOIHOEMV-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839174122 HFJRTSIYGVWFME-NRFANRHFSA-N 434.445 0.219 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361518 PLEBSYHJXBVQTI-MBSDFSHPSA-N 425.485 0.861 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361714 ZUKRSIGFBYNBDR-SBUREZEXSA-N 442.516 0.737 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2)C(F)(F)F 1839762651 YBQOYYHOVVNVDL-KRWDZBQOSA-N 434.411 0.905 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839859824 IHALNIZTRZCKMU-FQEVSTJZSA-N 434.880 0.418 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2)c1cccs1 1840535730 YTCCOKRAVNSOEY-LMAONABESA-N 434.514 0.980 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)CCC1 1840812790 LJHQSYCFOXEHKM-OAQYLSRUSA-N 430.461 0.160 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840842073 LLEWUPRBNZSEBC-NRFANRHFSA-N 444.513 0.548 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916095 PWKWBNNWRPMREP-MIVHDCIWSA-N 447.532 0.864 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1841098910 GFSYXMIGWPYAED-UHFFFAOYSA-N 430.530 0.035 30 20 ICED Cc1c(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)cn2[nH]cnc(=O)c12 1844656506 ZEMUIUHADWEXDN-UHFFFAOYSA-N 437.500 0.847 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 428774076 UVHMMRNEZLHUNM-GOSISDBHSA-N 428.537 0.465 30 20 ICED C=CC1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 429980545 RXEGPZJGSUDYQW-INIZCTEOSA-N 437.518 0.795 30 20 ICED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 439567180 WNZHGIUDEUQHCL-CQSZACIVSA-N 437.522 0.378 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCC(=O)OC 440393809 XNCZJBAQSLEJGV-UHFFFAOYSA-N 428.470 0.357 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 460713139 FPXJYTNPBGUCCD-MRXNPFEDSA-N 435.488 1.436 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cn1 460741000 YYJVGOITFBMANE-UHFFFAOYSA-N 442.432 0.807 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)c1C#N 472195538 QBJCWDLFYFITHC-UHFFFAOYSA-N 431.522 0.675 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 479835101 FJNWOSJDWANZRM-OAHLLOKOSA-N 434.518 0.322 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2CC)CC1 480287754 LYBOIXBCYHRSRY-UHFFFAOYSA-N 441.513 0.505 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 484980183 ZAQYSLLETLSYCY-BTAUDXDXSA-N 429.502 0.523 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 489173224 XJJSHCCJOGJJQR-PBHICJAKSA-N 440.547 0.252 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 498054942 WBPQTIJREOXZSY-UHFFFAOYSA-N 444.535 0.244 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 502121732 KBOXSDIHOVOHOX-HNNXBMFYSA-N 442.540 0.486 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 507410453 XRUZQHQQHTUNGH-QGZVFWFLSA-N 432.477 0.618 30 20 ICED CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 509018153 VQVAARWRQHZGEB-UHFFFAOYSA-N 435.506 0.334 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 510797574 NMVMFWIPACCMGO-GVDBMIGSSA-N 439.607 0.907 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCO1 521590096 LXLRYRDFVLJEKH-MRXNPFEDSA-N 432.502 0.501 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)C1=O 525066025 CBEVTGHZLYLCST-QGZVFWFLSA-N 441.488 0.768 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)cc1[N+](=O)[O-] 538909917 GWURJAQBSMNOQS-UHFFFAOYSA-N 439.494 0.672 30 20 ICED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 550482496 BRPOTDWIKXTASR-UHFFFAOYSA-N 440.460 0.582 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cn1C 550978217 HYBCUYWDIZATJX-AWEZNQCLSA-N 444.517 0.311 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)c2nnc3n2CCCCC3)CC1 552980703 LCIGNUUTGQTRRU-MRXNPFEDSA-N 431.541 0.018 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554135095 DEIACHQKVMDNMS-CEXWTWQISA-N 439.516 0.539 30 20 ICED CN(C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCN(S(C)(=O)=O)C1 559975342 ZKOGGGABCRBLDA-IBGZPJMESA-N 426.498 0.912 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)C1=O 561138747 ZTYKBISSFYBOAB-UHFFFAOYSA-N 427.505 0.239 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 564067245 OLBRPWAKOJYPNE-SFHVURJKSA-N 433.472 0.309 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1S(=O)(=O)c1cncc(C#N)c1 571604249 IGKBPTHQYOPTLT-CYBMUJFWSA-N 432.487 0.304 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 572535626 KFMHAELGERZCRL-APWZRJJASA-N 430.490 0.189 30 20 ICED COc1ccc(CN2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2=O)cc1 588126247 FZRRCPHTPIVJBH-UHFFFAOYSA-N 427.505 0.360 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C1CC1 590998938 WZVJANOTYZQFNL-UHFFFAOYSA-N 442.516 0.335 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(O)cc3)CC2)cc1 608985374 NPQLBVKKWOEXEF-UHFFFAOYSA-N 428.470 0.527 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 728314444 QLJRWXRPJSKHOA-UHFFFAOYSA-N 429.498 0.991 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)CC1 728533120 VUOHQMFQMQRMFB-GOSISDBHSA-N 446.573 0.440 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 729118954 LLGBSIYFYXCANG-CQSZACIVSA-N 426.491 0.493 30 20 ICED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 747818256 KVXRYIONZJDNLT-IBGZPJMESA-N 426.561 0.985 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3cnc([N+](=O)[O-])n3)CC2)cc1 749080642 WKPZLPRIGKUQST-UHFFFAOYSA-N 434.434 0.702 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 749375434 GHMDCUWYEWNVDO-HXUWFJFHSA-N 427.480 0.248 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)c(F)c2)c(=O)n1CC(N)=O 758070234 JAFXPDLWOQHFRS-UHFFFAOYSA-N 426.351 0.502 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(F)ccc(C3OCCO3)c2Cl)c(=O)n(C)c1=O 761827261 BCWLRLSEBIZLRZ-UHFFFAOYSA-N 446.844 0.234 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1CCOC 761836769 RMWBBJGJKYVMTQ-UHFFFAOYSA-N 434.543 0.156 30 20 ICED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H]1N1CCN(C)CC1 765345923 DXURBKKYBDNXHN-AEFFLSMTSA-N 433.578 0.600 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 777350644 MVYYWZKRBYVXRL-ZDUSSCGKSA-N 430.527 0.888 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)cc1 778810767 OVNHGTJIMSLMJJ-VYNQKWRLSA-N 444.517 0.766 30 20 ICED Cc1nnc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)s1 780283246 QNVPUAAQJGTMDK-HYARGMPZSA-N 436.519 0.914 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 787374856 IDARMNPULKQEJQ-KFPLHUSVSA-N 443.522 0.844 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C)[C@@H]1CCS(=O)(=O)C1 799261275 VUPIXTANLPXBTB-CQSZACIVSA-N 436.486 0.848 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 804890392 OYJXUMMJQIICBE-UHFFFAOYSA-N 445.545 0.046 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccncc1 805982551 FEEVQEMMHFMNMI-CABCVRRESA-N 430.486 0.911 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1=O 808195308 HAKONJRUXMRXMF-HNNXBMFYSA-N 427.509 0.827 30 20 ICED COc1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1C 810427167 AMRCJFQJMOEVHG-JCMHNJIXSA-N 434.478 0.819 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O 916940108 RXKJDAOCGBBBBO-SNVBAGLBSA-N 432.799 0.574 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 918798984 YVOWHGWBGSLHRG-BLLLJJGKSA-N 431.898 0.673 30 20 ICED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 928404481 LXPXEJWTDQYNQP-CYBMUJFWSA-N 438.506 0.359 30 20 ICED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1294877145 TXZCWNBHODVZBX-AWEZNQCLSA-N 433.538 0.923 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1296596416 WLSVBRPAIRVMON-OAQYLSRUSA-N 432.525 0.919 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1298743859 RKIBRAPXATTYOS-UHFFFAOYSA-N 428.522 0.778 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)CC2=O)cc1 1320382163 WVRDVGSNVUXDQT-KRWDZBQOSA-N 430.530 0.633 30 20 ICED N#Cc1ccc(-c2nnc(CN3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)o2)cc1 1324297973 MBMJLFMMJOZTPO-KRWDZBQOSA-N 444.517 0.029 30 20 ICED CCN(CCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1515710315 NEHYARTXNNFQHI-UHFFFAOYSA-N 437.570 0.812 30 20 ICED CNS(=O)(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1517632879 KBRVYMIFPGGFES-AWEZNQCLSA-N 447.569 0.502 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1752447276 LTSNTJSJPLKNJX-KSMMKXTCSA-N 432.506 0.538 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778786656 HRZAPKDXHVSNFR-DYESRHJHSA-N 430.461 0.261 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1779068178 HEOJSYWCPIVBTJ-FCEWJHQRSA-N 430.523 0.266 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365497 FDKVZALKSNSBTO-FJVGUQRGSA-N 433.553 0.663 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1780175864 NHUZGJPUCMWVLS-YADHBBJMSA-N 445.472 0.626 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780895774 SUEUVEHIMIEMNN-BTYIYWSLSA-N 434.514 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782547043 PPKKRFGTSJQMBS-LXHZQTKUSA-N 441.463 0.775 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784990 BLJBWUJRXFUXSU-NRFANRHFSA-N 448.476 0.569 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782960452 SPWFIUQCNXSPKI-UTKZUKDTSA-N 438.546 0.092 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783115012 DHIPJESLCCWXHE-YCRPNKLZSA-N 432.546 0.934 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497709 QUQHPZSNSNXCIK-FHWLQOOXSA-N 425.595 0.998 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784370476 GPKYZHVHVBYLPC-YLJYHZDGSA-N 435.550 0.206 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622255 XKDJZGPHRAUFOT-MZHSLKDJSA-N 429.477 0.849 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787504574 QMVLJUGZULMYND-NBOOPKSLSA-N 447.623 0.346 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788715965 PTIGZEPVFIGXIH-FZCLSBEQSA-N 431.493 0.801 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1790876948 OGNTXSQLYJJKKW-KKUMJFAQSA-N 425.432 0.493 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1790878228 NETVHUNYNZXXLH-BZSNNMDCSA-N 442.507 0.342 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1cccn1 1791640815 DVHRBQNPDQHDFO-RUMYPKPLSA-N 433.509 0.953 30 20 ICED C=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)N(C)C)C2 1793595136 LPYRPYDDCDNQHX-QKPAOTATSA-N 438.525 0.134 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1794949634 PRXSBVHNCANVPT-CWPLJXCYSA-N 428.489 0.387 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cccnc1 1795606163 SPUGYUOMTVMIRY-LJCCNALRSA-N 430.505 0.981 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)c(C(F)(F)F)n1 1795999587 WNNRHLDJWAMGQN-DRXBFXEBSA-N 449.393 0.467 30 20 ICED C#CC(=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 1797309502 CVHIYMNKIBRKES-VRJGGCKTSA-N 435.521 0.217 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)cc1 1798484352 RFBGOHUBLSKYAL-XAPVIXHLSA-N 426.517 0.780 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800202483 QRQTXTNTLMROPW-APWQULEDSA-N 444.532 0.363 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1800590905 QQQMWUGLVJORFC-QKPAOTATSA-N 437.541 0.750 30 20 ICED 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)C2 1802124728 HYUPGZPJFHJCLO-DMUMMCEESA-N 448.564 0.588 30 20 ICED C#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]1[C@H]3COC[C@H]31)C2 1802125927 CVGAQVYMFVPUJE-HZFWPQPFSA-N 447.532 0.385 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1802126603 LDXTXFWNLWFXAE-YVSFHVDLSA-N 432.477 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806898001 AABDXPPCFNBMQG-OCOIBCLLSA-N 441.532 0.278 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1813576944 YWGSEUNLAAGNFQ-MMEOWQQISA-N 449.577 0.994 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1815194818 MENWEXMVWOCUTC-ZBFHGGJFSA-N 427.461 0.755 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820970321 YQZUZUOCBPRBFZ-JSGCOSHPSA-N 444.429 0.928 30 20 ICED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824957543 JKMJTYMTMHSZEP-INIZCTEOSA-N 445.549 0.965 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COC1CCCCC1)CCO2 1830370946 UPQUTZOGUDUVIT-AXKGWLQCSA-N 449.548 0.651 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccnc1 1830977324 PIQSJSXMUWCKPR-DYESRHJHSA-N 432.525 0.182 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831486760 GVBXTNLBQUJZGC-QFBILLFUSA-N 440.591 0.980 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831609453 OIXQFIKWTWXXOD-LHSJRXKWSA-N 448.907 0.793 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2)c1cccs1 1831763414 VSLBGPWPHVYFAM-YADGQWAMSA-N 430.486 0.980 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832675715 AXIZKGDZZKGGCV-SGCYSOCQSA-N 445.520 0.389 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccnc3Cl)CCO2)C1 1833247042 SZDSODHMYLSADQ-VBKZILBWSA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCSC)CC2)CC1 1833469407 UPBHGNWLMSRZAY-LPHOPBHVSA-N 425.595 0.710 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833650795 XKKVVEJCDVDVIB-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833767148 UJFIGQWAVAKCFB-VGSWGCGISA-N 433.505 0.733 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2)C(F)(F)F 1833902801 UHJMMFGBTMDMNV-QGZVFWFLSA-N 432.399 0.929 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1834524682 OLEFLTRWRSXRCX-HSZRJFAPSA-N 436.468 0.607 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)CC1 1835346142 RXVMLUGPYYAHKT-FQEVSTJZSA-N 430.417 0.674 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CN4CCN(C(C)=O)CC4)CC3)CC2)C1 1835510387 LJAPIWQTSWBESD-UHFFFAOYSA-N 445.608 0.688 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835804245 SHBTXNJGCOQLOF-VLIAUNLRSA-N 438.550 0.677 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158680 QLGJCMSHGKMTTE-DEOSSOPVSA-N 441.528 0.779 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C)n1)CCO2 1836305494 JKNQKYAYKVUESP-IYZQMXKPSA-N 442.516 0.627 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837308951 FFQTXGNCJPBHNC-REWPJTCUSA-N 434.581 0.459 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837398997 LIMDTVASWPDQPT-MGPUTAFESA-N 438.912 0.773 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550335 ZFROMOYLROAPMH-QVKFZJNVSA-N 434.493 0.381 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838581573 AJLOEJRKZPWMNL-QFIPXVFZSA-N 430.505 0.636 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)cc2NC1=O 1838588046 LKGPLYLDLVVKDR-QRQCRPRQSA-N 442.472 0.780 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)c1 1838738038 NGMBKHHPIUUWRJ-NRFANRHFSA-N 439.428 0.394 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1838907532 XXYQYPHNDUYVKY-HXUWFJFHSA-N 440.416 0.573 30 20 ICED CCOC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839444930 PBSYZRYRCPCMMN-QFIPXVFZSA-N 444.440 0.021 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cn[nH]c5)C4)C3)c2c1 1839488175 BWCXNMDGTRCYEH-OAQYLSRUSA-N 435.444 0.541 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839685190 JEWDJGRKOFMUFB-JXXFODFXSA-N 443.497 0.805 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839885862 WNLRUPICFOMZLK-JOCHJYFZSA-N 446.479 0.222 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1840043381 VALOWXVTTAJWAM-XMMPIXPASA-N 449.463 0.907 30 20 ICED COc1cc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840043636 LNYGMDPCMFUPFP-JOCHJYFZSA-N 446.456 0.170 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077849 ORLSAIGBYOREBM-JOCHJYFZSA-N 440.537 0.316 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840088246 ULYRSKQFMMPCCZ-ZHRRBRCNSA-N 435.521 0.769 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)CC1 1840158042 GLRHGVJYLDYGRH-NLDJYOPPSA-N 428.551 0.741 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)CCO2 1840772479 VAWMADDPFAXBJT-HXUWFJFHSA-N 440.493 0.875 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841894359 QGXWDHXHTJUCCC-UHFFFAOYSA-N 446.529 0.114 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283412 ANSSAIFKMAEASW-QGZVFWFLSA-N 435.521 0.732 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846649230 YMPGZFXIXPVQNZ-LSDHHAIUSA-N 431.497 0.354 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 30571811 IOXYORLMELCHIF-UHFFFAOYSA-N 446.427 0.897 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 409532603 CCIWJPZRUZIYSA-HNNXBMFYSA-N 430.552 0.274 30 20 ICED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 427719740 LNBNFELSQGTVBU-INIZCTEOSA-N 437.504 0.848 30 20 ICED CN(C)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 427736325 WJXVPADDYHRJKE-MRXNPFEDSA-N 442.563 0.069 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 441952796 MWNCHMOATQUCBZ-CYBMUJFWSA-N 428.539 0.907 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442057405 NNDZAWGBNRNZEH-CQSZACIVSA-N 428.468 1.125 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1=O 443332495 HOAQCEYQTQNSOB-UHFFFAOYSA-N 432.452 0.762 30 20 ICED COc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1N1CCCC1=O 446532492 QONBFQNMBKLFMS-UHFFFAOYSA-N 443.504 0.835 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 465421195 KAEGKOQJFHUCDY-AWEZNQCLSA-N 442.501 0.569 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 465491008 BPQVASXNIGVJCR-NSHDSACASA-N 427.446 0.602 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)n1 479365960 ORJHYBZWBYCYMA-UHFFFAOYSA-N 437.481 0.475 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 480525829 KMHLUDSYHKQRIC-GOEBONIOSA-N 442.563 0.545 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)o2)cc1 502736011 DXFWDFKXDNKTAO-RBUKOAKNSA-N 445.497 0.958 30 20 ICED N#Cc1ccccc1CSCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 504216706 XSISVDDRAXKFAV-UHFFFAOYSA-N 445.545 0.504 30 20 ICED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc21 508302715 DKOFJPPOBICKNB-UHFFFAOYSA-N 425.449 0.676 30 20 ICED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508878857 BXFJPVFQRGVCKO-UHFFFAOYSA-N 433.476 0.469 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 511965955 WEKFDQHXZALCQB-UHFFFAOYSA-N 440.528 0.957 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C1CCN(C)CC1 517991639 IWAWNUKDHWOOAS-UHFFFAOYSA-N 446.598 0.812 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)CCO1 518225515 NVKDBHUGXMUKBR-CQSZACIVSA-N 440.508 0.191 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 536976475 ZZWDGSBRHSPTHI-UHFFFAOYSA-N 445.505 0.376 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545490936 VZDHKGYNXSPFLW-CQSZACIVSA-N 442.501 0.068 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 546595300 UDSXKVFBMVPBRF-MSOLQXFVSA-N 437.504 1.146 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1=O 546779741 SKPMOONMZTZXEM-CQSZACIVSA-N 435.593 0.637 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)cn1 547881495 ICRWCMPMMJPVDZ-UHFFFAOYSA-N 436.471 0.347 30 20 ICED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 549363958 XPUJUOZALQEQEJ-UHFFFAOYSA-N 425.493 0.922 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1=O 550729911 FHGMOIMSXXUBMF-IBGZPJMESA-N 441.532 0.451 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1C 551544047 HUTHQEUJMHJSHP-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 565909460 RRNYPFFBVOICHN-KRWDZBQOSA-N 430.486 0.860 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 569022971 WFSROTROEZBNTO-UHFFFAOYSA-N 428.541 0.889 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)n(C)n1 579530363 WIAYASGKIBURHS-GOSISDBHSA-N 436.520 0.429 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)CC2)n1 584073150 QXMNABLKNKPMQF-IBGZPJMESA-N 438.532 0.899 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603796544 HUGXYBDTENALQG-UHFFFAOYSA-N 429.498 0.372 30 20 ICED O=C(CN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1)NC1CC1 606026854 APSDFOAVFJTIBB-UHFFFAOYSA-N 431.496 0.843 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(C#N)cn1CCOC 614215624 LUERGIDYWNNRFI-CQSZACIVSA-N 441.510 0.728 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)C[C@H](C)O1 619475558 MWDKNHBBMOTXER-HOTGVXAUSA-N 442.563 0.413 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)C1=O 671062084 KKODACATCVMEAV-IAGOWNOFSA-N 430.505 0.624 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nnc([C@H]3CCCO3)o2)c1 727509232 IOTXGAMIXWJWJH-CQSZACIVSA-N 434.430 0.628 30 20 ICED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cnc2n(C)c1=O 730404318 WDACRTICKMPUMJ-UHFFFAOYSA-N 433.833 0.276 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCS(=O)(=O)C1 733957410 YQSQMKLJJOBTHI-AWEZNQCLSA-N 427.548 0.979 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)c1 747796797 FRMWCGKOEAHTTC-AFDUHFSSSA-N 440.547 0.422 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 750614702 GJKFSLRFPKHGFY-UHFFFAOYSA-N 434.543 0.755 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2O)CC1 755243443 KZJXCUWCVZPVHS-UHFFFAOYSA-N 427.242 0.504 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)ccc1F 757139594 JCWOMLCYSVWZDD-ZFWWWQNUSA-N 433.527 0.738 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ncn1 757198412 FZURWWPBPSGMBC-JJIBRWJFSA-N 430.490 0.853 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)cc2)c1=O 758050573 GOHDCNOOPNLCHR-UHFFFAOYSA-N 436.537 0.219 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758052383 DFJLIBUPQAMYHV-UHFFFAOYSA-N 434.456 0.044 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 769886186 KTXCPODSIDAPQV-UHFFFAOYSA-N 434.568 0.598 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 782987255 NZGDWKUIRISGMQ-UHFFFAOYSA-N 436.577 0.740 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 784848836 BPYJKDRYWJOCGL-MRXNPFEDSA-N 448.545 0.774 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc2)C[C@@H](C)O1 793194711 VXNBWWAXOQZOTC-ZIAGYGMSSA-N 441.531 0.848 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)CC1 796201855 NRVVTIVWOYKJNQ-JKSUJKDBSA-N 429.543 0.083 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797412007 ABSZVISSMGNZRG-UHFFFAOYSA-N 447.520 0.767 30 20 ICED C[C@H](C#N)OCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 801848600 KKUBNLCEGJNCTM-OAHLLOKOSA-N 441.481 0.911 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](N1CCOCC1)C(F)(F)F 804710127 YBYDWWRXTDJRTA-HNNXBMFYSA-N 448.467 0.885 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 856369963 REVCKDITIQEVDP-KSSFIOAISA-N 438.502 0.832 30 20 ICED C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 914898992 FUDQPTGLDQWXDI-JTQLQIEISA-N 426.520 0.894 30 20 ICED CC(C)COCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915523344 OAFPQJONQCZNEO-UHFFFAOYSA-N 437.518 0.997 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CC1 916926900 DVSFGYZFBPZTMR-KRWDZBQOSA-N 432.502 0.287 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n(C)n1 1290574748 YVPBGVZDVJOEAK-QGZVFWFLSA-N 448.553 0.441 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1=O 1296120491 RSCTWHDLZIFGHV-UHFFFAOYSA-N 435.492 0.964 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)c1ccco1 1303405133 IUPVAYJZPWNJTQ-MRXNPFEDSA-N 440.508 0.616 30 20 ICED C=CC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1320264321 BFLUSIVHGWIBBL-SCLBCKFNSA-N 425.463 0.536 30 20 ICED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 1320886984 CCQSYLYXNJIATI-UHFFFAOYSA-N 436.534 0.588 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1337475834 IVAVJOUPYOWAKC-UHFFFAOYSA-N 434.499 0.859 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1509686175 XMNSTUUDCRFWKS-MRXNPFEDSA-N 425.541 0.960 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541005247 OIBCLTGXKQPOKH-OAQYLSRUSA-N 425.541 0.973 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCC(=O)N3CCOCC3)CC2)c1C#N 1543002053 LMFIYSKASZJQHF-UHFFFAOYSA-N 427.513 0.076 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cnccc2C#N)CC1 1556823427 WRAHFFNLKXVHSL-DYVFJYSZSA-N 435.531 0.391 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cn1 1644037317 OQGKRKIAPSLKFW-UHFFFAOYSA-N 441.513 0.527 30 20 ICED Cc1oc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(C#N)c1C 1653604097 WWDCFRGMOZNVGV-LBPRGKRZSA-N 431.540 0.685 30 20 ICED CCOc1ccc(NC(=O)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1672546540 QHOIQOQNTIIROD-IBGZPJMESA-N 438.506 0.989 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692779157 IYBOHMCHDKNAIM-CYBMUJFWSA-N 444.583 0.596 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)[C@@H](C)C1 1741046161 YCGPADYMMLZLLS-INIZCTEOSA-N 437.504 0.733 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)n1 1751853845 RNZBVVYKEFCHQF-GOSISDBHSA-N 428.541 0.979 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1767727082 NTGFLTYRXXDAFV-KRWDZBQOSA-N 441.492 0.205 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)CCO1 1770752089 QHJXDDQOKMAXJU-GOSISDBHSA-N 437.504 0.836 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCN3CCOC3=O)C2)c1 1778780574 XZWVJPVMPWLVML-DYESRHJHSA-N 429.477 0.856 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1778970737 FBWBXDZHBWURDW-KSFYIVLOSA-N 441.488 0.106 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019510 PWNVVMRRRQNWQK-NXUSNIPQSA-N 429.525 0.579 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107419 UGMWOQNGDIYZHL-BHJOUFRFSA-N 447.536 0.938 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)cc(OC)c2)C1 1780086313 QZUODOOBFPZUOY-XMSQKQJNSA-N 428.489 0.830 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1780172492 NXQMPGJOXJDCKQ-GHTZIAJQSA-N 447.513 0.588 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1780433047 IPDQHGRRMKUDHY-JOCHJYFZSA-N 430.505 0.571 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=C)CC(=O)OCC)C1 1780734564 SJKHOSDIRPEAKA-PWPXAWQVSA-N 447.532 0.868 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CN1 1781778337 RDBJXHFTPCQBGP-IADDMXAUSA-N 436.509 0.165 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cnnn1 1782198817 WEVVTXXAUSJATH-RBZFPXEDSA-N 435.448 0.126 30 20 ICED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1782392430 VUGNZCYUZSHHSF-XMSQKQJNSA-N 428.489 0.971 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782458331 PWQVXVDYWZBRBY-QJKPHDSHSA-N 441.463 0.775 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(N(C)C(=O)OC(C)(C)C)nn1C)CCO2 1783048769 JKYIHEGUHAHOCG-NRFANRHFSA-N 431.493 0.868 30 20 ICED C#CCO[C@H](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 1784477467 CSGIUSQZDXKCOJ-MUJBESKKSA-N 434.533 0.984 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1784482956 WPGGOMMPDDDYFJ-RESYIPQXSA-N 425.529 0.719 30 20 ICED C#CC(=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 1788095684 UMWATPHCGKZDEQ-JCECYMMASA-N 435.521 0.217 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 1788572785 NGWXSZSGBPLBSQ-CAMMJAKZSA-N 434.537 0.696 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789908463 WLFUBTZONOTELV-ZVZYQTTQSA-N 432.452 0.576 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1790829218 JKSMENJELWGALC-XSLAGTTESA-N 427.567 0.604 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286669 GCVAEBBDCCZPDO-UHMUHUCWSA-N 427.498 0.383 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793840648 PUNROXFNZJGZAS-RFGKEDTNSA-N 430.501 0.989 30 20 ICED 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[nH]1 1795690593 VNWWQMIAJVLHCE-UMPJEAMMSA-N 449.508 0.788 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797449082 AFYNISYATAXWLB-BCEDRHLLSA-N 429.473 0.812 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1797818222 MCGPTEBXZQOKMZ-YGIWGEJLSA-N 431.493 0.528 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)ON=C(C)C)C2 1798475099 UCMXWJKUQMHNFT-SOGIYBJLSA-N 425.482 0.920 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798486302 RNSYKXLAKSBVDP-VSLSJCOYSA-N 433.530 0.776 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)[C@@H]1CCCS1(=O)=O 1798497080 LJLWUZQEQFRJBF-MNUGDMRMSA-N 427.523 0.731 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798590214 OFMBCXCNEGXTQA-HIRMHNASSA-N 448.907 0.566 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cccc1=O 1799883391 DLGNNGPJLCZZNE-YVWYUNDQSA-N 446.467 0.650 30 20 ICED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1799885363 DSHMSAHOWQQMIV-XOIINTDNSA-N 437.456 0.591 30 20 ICED C#CCCCC(=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 1800994526 ZXNHSSGRKFVQJD-IHEQNBGGSA-N 449.548 0.607 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2)c1ccc(O)cc1 1801054718 WOAHASSNMILRSV-SUQDKLLUSA-N 427.501 0.613 30 20 ICED 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]nc1C)C2 1802125581 IURFFQWRDVCJEH-CYGHRXIMSA-N 445.520 0.838 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1803509192 NOUMATKZCUBUIX-HYVNUMGLSA-N 433.534 0.719 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)[C@@H]2c2cccnc2)CC1 1806850433 YUKDDSLETLZVLI-PKOBYXMFSA-N 445.545 0.817 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1811887872 RYGRLQQBMKCGSB-DYXWJJEUSA-N 434.500 0.866 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)cc1 1819892373 ZZXYXHYKDYWTRQ-MGPUTAFESA-N 441.513 0.891 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1824495456 WJFPKYSJSPDOGG-DOTOQJQBSA-N 427.505 0.847 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824668657 XZPXGUGALMQZBQ-TVQRCGJNSA-N 428.536 0.553 30 20 ICED COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825775610 KOYMBVTYKBFAQU-ZDUSSCGKSA-N 439.490 0.213 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830639085 LWRXDWLZHZHCPY-QHCPKHFHSA-N 435.565 0.934 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1831391400 AIGNXTJEKOFLDB-QMHKHESXSA-N 441.484 0.290 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 1831403144 XVYYTQNMAISUJM-SBUREZEXSA-N 448.491 0.872 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390338 UZHWAFOXALZVDE-HRAATJIYSA-N 449.508 0.258 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1C(=O)O 1833606660 RZNOCLHYKXPJJR-OAQYLSRUSA-N 445.476 0.536 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)CC1 1835346795 SYQGSDZUXDKARD-QHCPKHFHSA-N 439.516 0.144 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835433607 XSNJSQUGRFUCKQ-FQEVSTJZSA-N 434.880 0.370 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1835680476 JAVIPTVRKLFHNS-QFIPXVFZSA-N 448.495 0.883 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835718193 WSFNYBUWESNYQQ-LPHOPBHVSA-N 434.581 0.657 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837396164 CSIHPYAEWUDHRF-JTSKRJEESA-N 443.504 0.372 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837503484 VLDOKXDASLFGSX-UQASEVPWSA-N 440.493 0.150 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837527731 UIOOZGAXOCLPOQ-WCNTUGILSA-N 449.508 0.571 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1OC)CCO2 1838288994 PFDVQIRDEKDHKK-OLEQZPESSA-N 449.529 0.685 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)c1 1838579097 BHWFSZOFAWNGEY-REWPJTCUSA-N 442.516 0.731 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ccsc5n4)C3)C2)c1 1838736935 BZGGTLNBDKWCKP-FQEVSTJZSA-N 440.485 0.979 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1838905860 CVCQLCSMNOZUEB-NRFANRHFSA-N 439.428 0.143 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1839175056 MXULRBBFSSYESA-JOCHJYFZSA-N 448.520 0.791 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OCc1ccccc1)CCO2 1839185035 LNIMVJOCTDCVRD-FDDCHVKYSA-N 443.500 0.639 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840158770 QPGXAFFJCPPXIY-YWZLYKJASA-N 439.603 0.881 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201742 GYHUJYJGEXSYMN-BBRMVZONSA-N 441.472 0.076 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223164 FUSDHLZKGUFMHO-AOIWGVFYSA-N 427.501 0.408 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)C(=O)C1 1841542754 YPQOETRDLNKNKS-UHFFFAOYSA-N 444.532 0.683 30 20 ICED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843423353 OYXZKCQSZZKDMN-JKSUJKDBSA-N 449.504 0.598 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CCc2ccc(C#N)cc2)C3)CC1 1843972374 HFOOUAAWHQHZNY-UHFFFAOYSA-N 437.544 0.858 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)NCC)C1 1844232194 JHCDLZIKRMHFCN-JKSUJKDBSA-N 449.552 0.814 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)no1 1844309264 NNLXQJBIDFWHEU-NMONLQQWSA-N 433.465 0.445 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC3CC3)csc2n(C)c1=O 1847747405 KFFXDQWKCDVVRF-HOTGVXAUSA-N 440.525 0.456 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 16729065 AHHQUHXIIKXECA-UHFFFAOYSA-N 434.499 0.352 30 20 ICED N#Cc1ncn(CC(=O)NC[C@H](O)COc2ccc(I)cc2)n1 427087724 YMACRNHGNKPLBN-NSHDSACASA-N 427.202 0.310 30 20 ICED CC(C)[C@@H](CN(C)S(=O)(=O)c1cccnc1C#N)NS(=O)(=O)c1cccnc1C#N 428376017 RTUCQBQVMYTDOI-MRXNPFEDSA-N 448.530 0.844 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 432702055 DWAWGTIIGVBEIR-UHFFFAOYSA-N 441.488 0.197 30 20 ICED CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N(CCC#N)CCCN(C)C)CC1 438764407 OOIZEIIWNISMIB-UHFFFAOYSA-N 442.564 0.983 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440378756 LIRLRGSXOUFPTC-UHFFFAOYSA-N 426.498 0.995 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1Cc1ccon1 461344161 VYAHICGEHKEJBE-UHFFFAOYSA-N 440.456 0.899 30 20 ICED COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472193417 MACJPNCHOCUPLK-UHFFFAOYSA-N 448.461 0.806 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478847526 GFIXNZGVNVBVMC-CQSZACIVSA-N 444.513 0.095 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1=O 479236088 RUNBYDRXBNRTRG-ICSGCJEQSA-N 433.472 0.971 30 20 ICED N#Cc1csc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 481042027 VDJAPXRUKGDWNP-OAHLLOKOSA-N 443.550 0.727 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 488278114 IMLGPVVVXQIJIF-MOPGFXCFSA-N 425.489 0.692 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCCO2)c1=O 505700242 NXLSKJWGBFGXJG-INIZCTEOSA-N 443.573 0.796 30 20 ICED N#C[C@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@]12C(=O)Nc1ccccc12 513661622 UCIDCIPQQMBPPA-QMHKHESXSA-N 433.468 0.512 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 516692717 VMGXSUCMPULQCS-INIZCTEOSA-N 428.532 0.523 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNC(=O)C3CC3)nnc12 521039159 OJBATDJYMJWFMW-UHFFFAOYSA-N 426.502 0.965 30 20 ICED N#Cc1ccccc1N1CCCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 532964085 XWTBFTUFZHHSCU-FQEVSTJZSA-N 445.589 0.402 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 552751125 XOCKTFPJSVWPJI-SFHVURJKSA-N 437.548 0.935 30 20 ICED CN1C(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccnn1C 557303092 ONIPSMFNFJFWET-DNVCBOLYSA-N 430.490 0.000 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 558482266 VBRAYROITKNHMD-UHFFFAOYSA-N 428.536 0.157 30 20 ICED CN(C)S(=O)(=O)c1ccc(OCCn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 569421838 XTMJDNKFRKWPLV-UHFFFAOYSA-N 446.529 0.881 30 20 ICED CN1CCC(N(C)CCN(C)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587654692 PMACUYKOVJFJPK-UHFFFAOYSA-N 441.580 0.523 30 20 ICED CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 588737059 VQQSHQIHYBXKDF-UHFFFAOYSA-N 436.538 0.548 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)cc1 598366616 XUOODWXTIWLNFV-OAHLLOKOSA-N 425.507 0.601 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](N3CCCC3)C2)CC1 603852019 GKMWZQRIQIEKAS-FQEVSTJZSA-N 445.589 0.951 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1C 610004082 XCFFCKCQGKDKPE-UHFFFAOYSA-N 427.526 0.816 30 20 ICED CCN(C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O 731350148 LJXOSCRSBYWJHR-UHFFFAOYSA-N 442.563 0.388 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 732468571 WLXNVMHJYNONHW-ISLYRVAYSA-N 433.415 0.959 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCS(C)(=O)=O 735068075 CYMCYSQMARDPPI-UHFFFAOYSA-N 449.529 0.207 30 20 ICED CN1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 737262972 QFKBIHWDXOSTQD-PTGBLXJZSA-N 435.550 0.896 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c1 747932560 YLPFXXXAOVUQCI-QBNCKDSPSA-N 428.445 0.842 30 20 ICED C#CCN1CCN(C(=O)CN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)CC1 748818139 VRVFDHGGHCGOOA-OAQYLSRUSA-N 430.549 0.873 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)ccc1F 757031090 DYWLSJXRDUMGHY-UHFFFAOYSA-N 448.494 0.140 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)[C@@H]1CCS(=O)(=O)C1 783479394 JUNKMBCCDWFQCG-MRXNPFEDSA-N 428.470 0.239 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)C2=O)cc1 785982242 NLOUHHURNKVYMF-LJQANCHMSA-N 443.467 0.672 30 20 ICED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789619493 XTGKOBHRHLGZIK-GTMGWDBPSA-N 437.522 0.421 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccoc1CC(N)=O 796917289 SBEJFNASJRJRMH-UHFFFAOYSA-N 438.396 0.844 30 20 ICED COC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 797371445 IAYKWHWYHSAVMG-AKKXKAEUSA-N 440.522 0.342 30 20 ICED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 799001611 PPIKNGRNLCXFMR-OFJJUDJNSA-N 449.558 0.571 30 20 ICED CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 807361104 JBQHACFYXGNRRQ-JCMHNJIXSA-N 438.506 0.896 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCOC 838237185 WKIAEUFSEFYVTL-UHFFFAOYSA-N 445.497 0.323 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCCCC1 914651863 CLQCFAMDEZHDOQ-SOUVJXGZSA-N 425.507 0.296 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 920788081 QEYRISHZQRTTIR-MRXNPFEDSA-N 438.440 0.968 30 20 ICED CN1CCN(c2ncccc2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 921167532 STGHXYCTTWXXNL-UHFFFAOYSA-N 442.545 0.578 30 20 ICED N#Cc1cccc(-c2nnc(CN3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)o2)c1 1322860705 CYMBCPJMXLDRAA-QGZVFWFLSA-N 444.517 0.029 30 20 ICED COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1504754816 IOGIMBSZVKPGSL-UWJYYQICSA-N 425.493 0.818 30 20 ICED CCC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1514330453 ZYEPXZOFIGTLFH-HYVNUMGLSA-N 439.586 0.880 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1COCCO1 1541674432 ZRKHSQVCIIDAQL-KRWDZBQOSA-N 440.508 0.425 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1541928190 XOPLSKNNQVRWSJ-UGSOOPFHSA-N 441.533 0.779 30 20 ICED CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1552867332 MKUQYAQMMWASPN-QZTJIDSGSA-N 430.557 0.232 30 20 ICED COc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1653530640 RABXKJBMQBMNBJ-UHFFFAOYSA-N 428.517 0.719 30 20 ICED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695501518 FZHXYYAGSWSGRJ-MRXNPFEDSA-N 437.508 0.580 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1710156836 UFBSQNGAASUFEF-DOTOQJQBSA-N 439.586 0.834 30 20 ICED CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1726816322 AEIAYASMCUBBJX-DYESRHJHSA-N 428.493 0.841 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1749251712 IHKUQZXCMIDDNU-ZDUSSCGKSA-N 428.950 0.701 30 20 ICED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CC1=O 1749863602 XCBUDXRWGGIDQR-KRWDZBQOSA-N 437.504 0.590 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1751095814 ZQSPJLXWGHNXDS-UONOGXRCSA-N 429.568 0.886 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(C)(=O)=O)CCOC1 1767473404 NTJKLKIGDNPRCX-APWZRJJASA-N 438.554 0.151 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O 1769078077 WDRVSEYJYKFHFQ-MRXNPFEDSA-N 444.517 0.442 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778556228 LIUZXVKFKXTZNW-NRFANRHFSA-N 432.477 0.619 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020135 YZSYFKQPRBHGTJ-CITAQQGHSA-N 435.525 0.817 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428822 QDKJZXPECTYWTO-PCHRSSRASA-N 438.525 0.554 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782447118 FKUGCLFKMGZRNX-FPSSLUBQSA-N 430.509 0.041 30 20 ICED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1783146907 ZLGRASLXBDVVEH-JOCHJYFZSA-N 428.489 0.925 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c(C#N)c1 1783288637 WBCFKPGXBNONKO-XMSQKQJNSA-N 443.504 0.292 30 20 ICED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1784511952 NQVASEGMIWHJIZ-VGWMRTNUSA-N 429.539 0.673 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c(O)n1 1785772831 TTXONTUMCOWFCL-MGHWNKPDSA-N 444.488 0.608 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562352 LCOIFKCNFIWDEL-BURNTYAHSA-N 427.501 0.169 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786859077 IGNXFOXOYJMQDS-YDHLFZDLSA-N 433.469 0.193 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4cncc34)[C@H]2C1 1788419712 YXTUFPSVOAMYGR-UYBBGVAXSA-N 437.500 0.786 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792718177 YMVVGZSMTKEJLV-IWHJRJLKSA-N 443.500 0.177 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795301377 ANSVNIDDDGXNLB-AFIMGQEJSA-N 426.560 0.758 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597275 BLFULZZFMMUDEH-GNBUJSLZSA-N 442.564 0.863 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796298705 CVOMCUJUHNCIKZ-IVSAIRAKSA-N 443.566 0.381 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1796445373 VLPXVQKIAUTJQL-YCFTYVRXSA-N 441.509 0.939 30 20 ICED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797815487 QSQZUSXDSDFPFP-SJSYYZABSA-N 432.477 0.822 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799190485 BTERIZICGYNIPD-CEQLMSFQSA-N 434.581 0.339 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324991 UWBQDBNSTHBRRK-SHJAMOMRSA-N 430.480 0.744 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@@H]1c1cccnc1 1802479913 CTRACOYXNLBPDF-GUEKAFECSA-N 438.488 0.880 30 20 ICED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1802578051 OKFJJHHWQVAJSU-KNQAVFIVSA-N 430.472 0.888 30 20 ICED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1)C(F)(F)F 1825328518 FCWNQUHHSZUJLT-NSHDSACASA-N 436.456 0.460 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)cc1 1829898357 ACSZZZNVYCZNII-HSZRJFAPSA-N 437.500 0.913 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1829898603 JXRQSJOUIOGRKO-QFIPXVFZSA-N 442.472 0.009 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465345 DUKLLBIHUCHXRJ-NRFANRHFSA-N 436.892 0.767 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1831397135 UPYVWCTYDFMEHR-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831399502 VNRPWNZPYTZBGW-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1831433127 QOPUQMCCHUBXKO-IERDGZPVSA-N 435.525 0.694 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1831434498 YHHDSLHYDMIBDF-QXFGJNNOSA-N 436.505 0.377 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022558 BRUPLANMUSSQEY-HSZRJFAPSA-N 447.532 0.750 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749220 FPPDYSAISLHHNP-KKSFZXQISA-N 446.529 0.467 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3cnn(C)c3)CC2)CC1 1833464837 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NMECJQULWIUSFD-QFIPXVFZSA-N 430.505 0.157 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1838301988 PBKRTWQRDKNQOD-AWEZNQCLSA-N 449.577 0.947 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1)C(F)(F)F 1839891596 NPTGTLWFKDIYLJ-KBPBESRZSA-N 434.333 0.875 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1)C(F)(F)F 1839892092 SYFJLLSIHXMPGI-KRWDZBQOSA-N 444.366 0.363 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1839924178 VRTJGCYVPKDNDY-UMQOZUHOSA-N 428.485 0.900 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840167766 LYEMLEOBQPSIGU-NRFANRHFSA-N 432.477 0.572 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840172730 FWBKNCZLGYFLBS-FQEVSTJZSA-N 437.518 0.272 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371859 FWRZTNRRDIISLV-ZWDAVXSWSA-N 447.536 0.126 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840431500 ISCIUMOONRKNFV-PBPYGMEZSA-N 446.552 0.447 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841598271 ZXVQJALJICOZAK-FGTMMUONSA-N 449.548 0.846 30 20 ICED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N 11399190 HHMSISQKJPCCHL-UHFFFAOYSA-N 448.501 0.829 30 20 ICED CN(CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 25921133 BCUVKZUKBOGUHN-UHFFFAOYSA-N 447.517 0.550 30 20 ICED Cc1cc(N2CC[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)ccc1Br 409499297 HFXCCYGZJMNRNJ-ZFWWWQNUSA-N 443.323 0.922 30 20 ICED Cc1ccc(-n2nc(CCCNS(=O)(=O)N3CCO[C@@H](C#N)C3)c(C#N)c2N)cc1 409560874 HVAHLXFTCFVIKZ-INIZCTEOSA-N 429.506 0.626 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410156464 YKHVIIXDQDQQQN-LPHOPBHVSA-N 447.561 0.704 30 20 ICED C=CCCCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429902057 KUDWCPPBFMLMDC-HNNXBMFYSA-N 425.507 0.795 30 20 ICED CCC[C@@]1(C)C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445893534 LELQIAKFSNAOBQ-NRFANRHFSA-N 447.561 0.382 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n(Cc2ccccn2)n1 446528745 XDCWRCRUUQYPOE-UHFFFAOYSA-N 425.493 0.648 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461365949 UVPKGMMQYNKGFE-UHFFFAOYSA-N 437.468 0.839 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463630302 QHAWWEVFMAZGQO-UKAVVXHISA-N 445.479 0.917 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 464013753 ICPGPERMXDFCRE-HNNXBMFYSA-N 447.430 1.447 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 464954227 WZTVLYCYCCEQAD-KRWDZBQOSA-N 436.524 0.181 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)cn1 467151761 MUIFCIKQCUVDIZ-AWEZNQCLSA-N 446.514 0.599 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1C 467549522 AQYIZRXZGSRWMO-CYBMUJFWSA-N 427.482 0.192 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](NC(=O)NC)C3)nnc12 468723228 HVXURTLPMNPQLV-CYBMUJFWSA-N 441.517 0.852 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)cs1 480932369 IQQZZPSEIVJQRW-UHFFFAOYSA-N 427.511 0.837 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 486651241 MMFPACVIUMGBQL-MRXNPFEDSA-N 439.453 0.167 30 20 ICED Cn1cc([C@@H](CO)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 494806307 CCUAMDMQXBJGJR-MRXNPFEDSA-N 425.449 0.512 30 20 ICED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501109580 IWXCABTUAPPMOF-WBVHZDCISA-N 427.530 0.920 30 20 ICED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 519848126 VWHKFLSEOJUFQF-FOIQADDNSA-N 439.516 0.933 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 540364531 BNLNZOFWLKKJRO-OWCLPIDISA-N 439.534 0.724 30 20 ICED C=CCn1c(Cc2noc(CN3C(=O)N[C@@](C)(C4CC4)C3=O)n2)nnc1N1CCOCC1 545640184 KHISSCFXPMFMQY-FQEVSTJZSA-N 442.480 0.495 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)n1 551662284 MLFFFSNQBMPCBL-AWEZNQCLSA-N 445.277 1.568 30 20 ICED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555272584 PWOZMYBMVYHKGH-AWEZNQCLSA-N 426.477 0.685 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)n(C)n1 556067579 UIRRZJWZGRTULM-KRWDZBQOSA-N 447.503 1.213 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCCn3cnc(C#N)n3)c2c1 561275233 SKMDGTSYDFJWMO-UHFFFAOYSA-N 443.489 0.864 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 570753402 DBBHEOHZROFMLY-WOJBJXKFSA-N 440.548 0.486 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)n1 571488491 JRDNHWBFWDQJAH-OAHLLOKOSA-N 445.439 0.834 30 20 ICED Cc1nsc(N2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)c1C#N 575098408 ITWRPLBKTVIWGG-UHFFFAOYSA-N 430.538 1.206 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2OC[C@@H]2CCOC2)cc1 577111357 PSWZTUZYFRZDRT-MRXNPFEDSA-N 430.486 0.963 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 583216623 RDAHKNSYOLHVPQ-UHFFFAOYSA-N 441.513 0.560 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 583457183 RDQVYAHGNUSJLI-UHFFFAOYSA-N 440.525 0.138 30 20 ICED Cn1c(NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(C#N)c(=O)n(C)c1=O 603864521 ANDPGRHGEQAMBC-CQSZACIVSA-N 433.490 0.025 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 606123631 CGIYIAVAPVNTQI-HXUWFJFHSA-N 432.480 0.878 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 610683396 XBQNIXNECXWTIT-HNNXBMFYSA-N 443.533 0.818 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1Cl 618093546 LWCVSXVHKBAXNX-UHFFFAOYSA-N 446.960 0.988 30 20 ICED C[C@@]1(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 726166137 ANDPUGCJLSOSGX-FQEVSTJZSA-N 441.469 0.096 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CC1 728570822 NSBRUISJUTWBRY-FQEVSTJZSA-N 428.533 0.734 30 20 ICED C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)CCC#N 728922650 RPHOGRBYEWCOGM-INIZCTEOSA-N 437.518 0.944 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 731127312 BQWGWEMJXLRABI-UHFFFAOYSA-N 446.441 0.640 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 734293359 RSJNLXOGNQUZSI-UHFFFAOYSA-N 426.462 0.421 30 20 ICED C[C@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742526883 IKGXBKZOWDVBQI-KGLIPLIRSA-N 442.563 0.434 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C1CC1 745386833 IXCBCIGLGKSXOY-QVKFZJNVSA-N 426.429 0.268 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1 746353815 JOCQTIKSFJETKS-UHFFFAOYSA-N 430.490 0.836 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754619766 ZDWZKAXEHICPAA-HNNXBMFYSA-N 429.433 0.091 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2OC)c1=O 758061850 KHHOMQOEOJSTTA-UHFFFAOYSA-N 436.537 0.219 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sc(C)nc2C)c1=O 758062969 ZLVPKBDKEVGPLJ-UHFFFAOYSA-N 441.582 0.284 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 758076792 QYGXTSWJDMNEQY-UHFFFAOYSA-N 425.535 0.627 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C1CCN(C)CC1 760375280 JWARIJZVCBYGQE-UHFFFAOYSA-N 431.949 0.782 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)c1 760395425 VBGDCYPBESKXCX-SPZKXHQHSA-N 432.449 0.570 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc(OCC#N)c2)CC1 760625935 QFLCALTYAAYAKV-UHFFFAOYSA-N 430.505 0.734 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 765893612 JLTOBZGLMVXBCI-VERWNPAXSA-N 449.533 0.469 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 766505627 MFASKZXKQLBPJD-UHFFFAOYSA-N 431.474 0.589 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)[C@@H]1CCCO1 773797741 RYGQIKJXFYPSKX-OALUTQOASA-N 448.545 0.248 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 774226457 NUEKEROUXBZBSL-UHFFFAOYSA-N 444.492 0.962 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774580499 DMCAQLCWNFWQPD-KQKOXZCGSA-N 447.561 0.696 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@@H]1CCCO1 775789357 CXUYRMWHEPRMKD-UXHICEINSA-N 433.530 0.493 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782858182 QTBOLVYMRCDYOW-UHFFFAOYSA-N 431.430 0.276 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 783482535 YFAAMUOKJUIOSE-CYBMUJFWSA-N 446.266 0.879 30 20 ICED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785205500 MCNZTOXHVFTQPC-OYQZECFLSA-N 442.563 0.663 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)CC2)o1 786575074 DMUJHCXLJWVWBM-CYBMUJFWSA-N 443.382 0.600 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCCF 800643519 LGZSNRHLOMZNQY-AKVJFXEFSA-N 441.485 0.028 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c(F)c1 802574663 UDANYOKPAZNIKC-CQSZACIVSA-N 443.472 0.784 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 802764345 BHTWLEPPZCXSLF-CQSZACIVSA-N 431.474 0.581 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 807302963 AFVXLBHTLULOQI-CYBMUJFWSA-N 439.387 0.715 30 20 ICED Cc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 807398977 GQAJUVRQRWSQDY-CSZWZMAYSA-N 433.494 0.742 30 20 ICED CN(C)C(=O)OC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 815864409 YCVLPFHMTCOTQS-UHFFFAOYSA-N 425.449 0.826 30 20 ICED COCc1ccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918872761 PHRPCYDDXKLRHP-UHFFFAOYSA-N 431.470 0.731 30 20 ICED Cc1ccc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1C 919133141 WUQYUBPKTZOOAD-UHFFFAOYSA-N 433.490 0.805 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1306262499 YIFXCVOGKZEMGP-QXATTWAWSA-N 440.504 0.983 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(C)(=O)=O 1495726167 ZGGCQIGUYLHNBI-AWEZNQCLSA-N 449.585 0.581 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1541693683 LABKYXGTIOHKIS-UHFFFAOYSA-N 437.508 0.952 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1548308209 IHNPIKIWZJAFLW-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CC(C)(CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1682080912 SGBIOMYBRIASLH-UHFFFAOYSA-N 442.563 0.787 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683533179 UGLONORHJIEQFA-UHFFFAOYSA-N 434.566 0.750 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692666987 YYKLQOIKQGAPSZ-QLFBSQMISA-N 444.583 0.200 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C1CC1 1692797777 ZCUWACZMWLJODA-CHWSQXEVSA-N 431.526 0.600 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722483637 IKSWBVYAVHHUPW-GFCCVEGCSA-N 447.359 0.656 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1726405908 JBHBENJTSGEOAY-GDBMZVCRSA-N 445.553 0.245 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1760696645 SCPWIGUDBRMKCT-JEWRLFTDSA-N 440.570 0.758 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765585547 FULQZIIACPMZQS-INIZCTEOSA-N 430.557 0.755 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1766871144 UXPSMRYDCVFJLT-IBGZPJMESA-N 449.512 0.726 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1cncn1 1779363680 IEYXBKYKDDNDSC-NZGYFVJWSA-N 431.541 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[n+]([O-])cc2)C1 1779939847 NXDYIMJIUZMVNX-RAUXZBOGSA-N 428.489 0.306 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1780175863 NHUZGJPUCMWVLS-VXKWHMMOSA-N 445.472 0.626 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400857 YGUMGWQTAIUHDL-RRMPHLOHSA-N 448.524 0.088 30 20 ICED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604591 YSVAVVIORCQCBS-ACRUOGEOSA-N 426.517 0.949 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)cc1 1784280096 JVSSMSNHSYKAIZ-FHWLQOOXSA-N 426.473 0.798 30 20 ICED C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1785436902 BNGQSYGTKALNNL-VJANTYMQSA-N 430.553 0.781 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cn[nH]c3)CCO2)C1 1785574575 NMVZOZYYWGFVLV-HRAATJIYSA-N 431.493 0.770 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717687 JDFFQFRVVQDLHN-GAJHUEQPSA-N 444.484 0.720 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3-c3ccncc3)[C@H]2C1 1785751705 SYFLIPRIEQAKLY-VKRLORBYSA-N 437.500 0.899 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786725663 DGTNQZAGGWGSPE-ACRUOGEOSA-N 436.597 0.586 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511567 YSUXMUKBVQFGPO-MUGJNUQGSA-N 428.489 0.303 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790567966 PXTHRYBSQHZZER-SZMVWBNQSA-N 446.504 0.604 30 20 ICED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](S)C(C)C)c(C)n2n1 1793383981 KAKNRQISSMSNDQ-DACLVMHWSA-N 432.550 0.899 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n(C)n2)C3)c(O)n1 1794488517 GKFPZWZVUHDCGD-HBCWATKFSA-N 441.488 0.862 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818604 VGMPXJWKNHRVLD-VOGREWSDSA-N 433.509 0.871 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1798496279 ZTOJZQYNSJYRQS-SJAPTTFASA-N 449.552 0.318 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)C(=O)C(=O)O)c1 1800262205 NFVGHGJHPNZVSA-UEILYKACSA-N 442.472 0.060 30 20 ICED C=CCC(=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 1801000436 RMEWIDHLFGKVBL-JLVBRIDZSA-N 448.520 0.918 30 20 ICED 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[nH]n1)C2 1802128982 WWXMJLOCRFCKJT-LORHWOILSA-N 445.520 0.458 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2)C(C)(C)S 1802181094 MJAXEYATBSPQNV-AIEDFZFUSA-N 443.614 0.512 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1803733867 CYGYDQHJTJTGGD-WUDFEMJASA-N 436.472 0.755 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804353964 MGNBCKWVADXCBW-HBFSDRIKSA-N 446.467 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806383404 RROXWTMNRWFDAR-PLNGDYQASA-N 442.516 0.391 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695163 JNGXQDCDUBDHFY-NFMTXTLNSA-N 428.537 0.282 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1808228432 DHUHUAIYHAVOPE-BZSNNMDCSA-N 443.552 0.816 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815778326 XOCODHMOMOKWOX-PNMHFREASA-N 433.494 0.876 30 20 ICED CC(=O)Nc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)ccn1 1817909491 XHYNZBFFNQAURO-GFCCVEGCSA-N 427.442 0.810 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829749379 WYGJIZDOHXOBQB-ACJLOTCBSA-N 425.511 0.241 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1829773589 NZIRLZBHEBHRAX-VPVLLMPFSA-N 445.520 0.067 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1830243737 VWQKKRJQUPIXJO-HSZRJFAPSA-N 428.485 0.813 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456086 DKGLUQDFQHXKSI-JOCHJYFZSA-N 431.489 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1831398537 GKPDTHSKRCTNIA-NYHFZMIOSA-N 444.463 0.810 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1831399511 VSLMMQVBCMCOMK-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831477737 CPUCTMXSYWSQKX-JOCHJYFZSA-N 428.489 0.543 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c1F 1831485341 BKRUKQWIBFVRNR-QFBILLFUSA-N 428.530 0.892 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1833833920 CXCQUIOJMWPYNT-QFIPXVFZSA-N 437.456 0.632 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN(C)C)CCO3)c(C#N)c1 1834945303 ZPIAEPXTBMAQMV-QFIPXVFZSA-N 430.505 0.127 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3COCCN3C(=O)OC(C)(C)C)CC2)CC1 1835064203 RXKPARHSTUOFBZ-IBGZPJMESA-N 448.564 0.827 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835694075 BRCINYMDGOFHEA-UNMCSNQZSA-N 432.521 0.521 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1837392590 FJBOHQPLOBSLEN-JTSKRJEESA-N 433.505 0.028 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440629 QKCIGTDEOFTSME-KADOOAIWSA-N 435.569 0.399 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1837497487 VKKOAPOPCJBZFU-CVDCTZTESA-N 434.533 0.568 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)co1 1837525581 XOFAGVORSNRADB-YTLJWTSXSA-N 436.465 0.582 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838403771 BSTQGQAXEFZGMH-LJQANCHMSA-N 445.507 0.847 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1OC 1838840201 ZRSVKXMXVOFVEJ-OAQYLSRUSA-N 432.477 0.719 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953088 OLLZGUJEPDCEMN-FGZHOGPDSA-N 445.472 0.244 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839174637 ORPWSHUAPWUIEJ-LJQANCHMSA-N 438.506 0.305 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839223700 FTHNXTMIENPCBC-QRWLVFNGSA-N 439.488 0.739 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840042425 UZQAFFKGTJNCQK-JOCHJYFZSA-N 441.440 0.335 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106797 YYUVNCCDIRYIQF-UTKZUKDTSA-N 438.525 0.256 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)cc1 1840380917 BMQZSQNKWFLLNB-HXUWFJFHSA-N 442.501 0.539 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497280 QZJYSBKMTAOOFY-SGCYSOCQSA-N 445.520 0.258 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840842266 YPCQXFKJQMUASZ-QHCPKHFHSA-N 438.484 0.417 30 20 ICED COCCn1c(N)c(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O 21406859 ZCZHQSPYQPRWDY-UHFFFAOYSA-N 440.504 0.027 30 20 ICED COc1ccc(CCC(=O)N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409589346 PFQSCEQQWUKLMB-LJQANCHMSA-N 436.534 0.631 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CC)C[C@@H](C)C#N)c2)CC1 437397533 ZUIUCFLWFVOVHF-INIZCTEOSA-N 435.550 0.959 30 20 ICED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 440251853 DAVBWGROCDNCHY-HIFRSBDPSA-N 443.547 0.561 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@@H]1CCOC1 441929661 QTELVXRWTHUBJE-INIZCTEOSA-N 445.516 0.660 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC2(O)CCOCC2)cc1 442575392 YFROPHTYPYEFIE-UHFFFAOYSA-N 425.507 0.432 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1 446195149 HPVPSWUPCLIIMM-UHFFFAOYSA-N 439.476 0.683 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 462014609 ZWPIPYSJTBQASD-INIZCTEOSA-N 433.476 1.494 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(F)c1 463067842 FUXNEXSFRFHWPT-LSDHHAIUSA-N 444.506 0.666 30 20 ICED N#Cc1c(CCCNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn(-c2ccccc2)c1N 463324828 SBNWYHYEIGPTBU-JYBIWHBTSA-N 448.483 0.537 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1=O 466517750 KERQWCKHPMBZAH-HNNXBMFYSA-N 427.548 0.557 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467296264 AZJZNVILEFWCKD-HNNXBMFYSA-N 432.550 0.613 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2CC2CC2)cc1 473317365 HAMJALBGOXWDMO-UHFFFAOYSA-N 433.494 0.145 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC(O)(CC#N)C3)CC2=O)cc1 473379914 NXINEROULHHEEP-OAHLLOKOSA-N 434.518 0.557 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)c1 478302997 BEHLNVVDWUTFQC-QGZVFWFLSA-N 449.577 0.799 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)n2)c1=O 479389977 IMYSEACZMCLSRI-UHFFFAOYSA-N 428.514 0.475 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 480185983 VRZKDYHXPXRRLD-ZFWWWQNUSA-N 428.536 0.155 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 486077599 NURDJGPNTNQTNA-CYBMUJFWSA-N 436.515 0.531 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 490358121 BHARTNWTKOPCAI-QGZVFWFLSA-N 430.505 0.581 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 501994678 PWQUXPYUXAEKNE-UHFFFAOYSA-N 437.525 0.916 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 503273082 TWVPPXBVWZDDGR-UHFFFAOYSA-N 441.532 0.698 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 506713906 ZDHRMEHRRBQEBX-UKRRQHHQSA-N 448.480 0.656 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(F)cc2I)n1 508333473 RWEWFDJYCZMMEJ-UHFFFAOYSA-N 428.165 0.648 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCn3cnc(C#N)n3)c(Br)cc21 511384284 OSLNWWZSGMYDNY-UHFFFAOYSA-N 440.283 0.081 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC(F)F)c3)c2=O)cn1 523864577 VLGRBOIXDHQJSD-UHFFFAOYSA-N 445.451 0.966 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)c(C#N)c2N)cc1 530748455 LXXGZKQVTTZXGR-KRWDZBQOSA-N 444.561 0.802 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1 536598165 PMDJYHLQOMYPAW-OXJNMPFZSA-N 437.518 0.886 30 20 ICED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nn1CCC#N 540816662 XUKZNSZLFPFUJS-HZPDHXFCSA-N 439.542 0.609 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)n1 541146728 MNRIYPDSJNNXMA-ZDUSSCGKSA-N 437.865 0.266 30 20 ICED C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 542030621 JEKVTBFLUQEKIH-OCCSQVGLSA-N 448.480 0.944 30 20 ICED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545489945 QCWYYPUYBZFTEV-UHFFFAOYSA-N 427.486 0.785 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 552892105 USKNWYKNAAERPC-GOSISDBHSA-N 441.532 0.632 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 560429537 JXKPVOUCKYZIQU-UHFFFAOYSA-N 436.493 0.703 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 564628895 XGRMMIODUYPSRW-UHFFFAOYSA-N 448.504 0.393 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)c1 582918123 ORWWJSSJHMQKBE-NRFANRHFSA-N 448.527 0.619 30 20 ICED CNC(=O)Cn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 604183032 CNRSHFYPORNDDE-UHFFFAOYSA-N 430.490 0.540 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 604197349 WGMAZAPFJVHABA-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 604465474 XDOGDYDLDLYJAQ-UHFFFAOYSA-N 428.517 0.517 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 728530892 XVZRPLDDGGFAIK-UHFFFAOYSA-N 438.463 0.053 30 20 ICED N#CCCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 729250017 DYWUPLPXGZRCJO-HNNXBMFYSA-N 446.485 0.870 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 733368880 CCGQFHMHCKATLV-OAHLLOKOSA-N 448.526 0.336 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 741140821 RMZFKWFOYXQZJI-PMERELPUSA-N 433.530 0.239 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCC1(N2CCOCC2)CCCCC1 741341848 SGTYUXIWKWDFAW-QZQOTICOSA-N 448.520 0.597 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1=O 760787281 CIGNRFQMOBCESS-UHFFFAOYSA-N 444.517 0.950 30 20 ICED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 761031286 PTFPZNNMDGSYTQ-OAHLLOKOSA-N 432.340 0.274 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCNC(=O)C2)CC1 761217642 GYCMOMSFYTWWCN-ZDUSSCGKSA-N 427.417 0.524 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)n1 763298643 AZQXWCYCEQVCPF-UHFFFAOYSA-N 430.530 0.625 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 774433448 HYNXTIFZKLOVAW-XQNSMLJCSA-N 448.509 0.021 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 783349838 CMNHTQNFETVBKM-UHFFFAOYSA-N 442.497 0.940 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 783360048 ZZNVFXFJPFHZKZ-MRXNPFEDSA-N 427.436 0.817 30 20 ICED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCS(=O)(=O)CC1 786417230 HNWOPWRXEAMQNT-INIZCTEOSA-N 433.486 0.696 30 20 ICED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)[C@H]4CCCOC4)n(C)c3=O)ccc21 794595969 PPTSYSBTFKMJDT-INIZCTEOSA-N 437.521 0.855 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc3c(c2)OCCCO3)n1 803623891 NVPYSVAJTNTMMK-UHFFFAOYSA-N 426.473 0.969 30 20 ICED CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 804994145 ZJUVSVBGOGEFCP-MSUUIHNZSA-N 442.519 0.180 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387192 IPBCVLZOQZOGMY-MSOLQXFVSA-N 432.550 0.803 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOC 814249480 QMZGCZFGJUYMOI-UHFFFAOYSA-N 425.461 0.047 30 20 ICED CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 815617464 OBNYXPWMKJWVGK-UHFFFAOYSA-N 425.449 0.606 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 913241590 IGYPBALZWXTHTF-LBPRGKRZSA-N 433.442 0.880 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 920408889 JZUWVBOAJPBZRH-QGZVFWFLSA-N 440.547 0.021 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1116040533 RAGRRSWQVDXGAD-ZZEZOPTASA-N 428.493 0.304 30 20 ICED CCOc1cccnc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1177699102 PNXRCHMBUCZFGC-UHFFFAOYSA-N 429.502 0.868 30 20 ICED CCN(C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1251343038 QCXBJQWCMRTYNQ-DOTOQJQBSA-N 433.486 0.490 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1299292803 JQXAKVHMEVJOTR-HOTGVXAUSA-N 432.506 0.467 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)CC1 1460631880 LAPCEJJSTSGENB-HZPDHXFCSA-N 425.580 0.600 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1517023470 LWXDFIXWHCAZAY-QGZVFWFLSA-N 443.533 0.519 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS2)C1 1519563061 KDIDQURLYODBKH-KFWWJZLASA-N 442.567 0.235 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 1541945768 LIGHAHWUKLTSGS-HUUCEWRRSA-N 426.543 0.702 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1624766593 FKUDQTWKEQRQCY-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)C1 1698309620 RRMQXFYIRBAULY-OAHLLOKOSA-N 429.506 0.034 30 20 ICED C[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCO1 1724042158 PCEBKBFTZDPDDD-APWZRJJASA-N 438.554 0.920 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1767727083 NTGFLTYRXXDAFV-QGZVFWFLSA-N 441.492 0.205 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777966393 KJSOVHWAJBAQDN-UJKGCTCZSA-N 445.582 0.704 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559644 INOADUXVYVJLIS-JOCHJYFZSA-N 428.537 0.945 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779101045 GVNZJDYQOQCICN-CWZGJQGVSA-N 442.476 0.930 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc(C)[nH]n2)C1 1779455861 VLUDEOSHNLUYDZ-LHTVMBCQSA-N 429.521 0.633 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)C(=O)O 1781298520 KAHJXGZBUYTFBX-UTKZUKDTSA-N 432.452 0.132 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1781309162 SMECBAIYGZWRAT-VXKWHMMOSA-N 448.520 0.804 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c(Cl)c1 1781968471 PXUZNXVBKGGAST-FQEVSTJZSA-N 445.863 0.207 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782010132 FFRYJGRNGMBKOR-AUSIDOKSSA-N 441.484 0.789 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C(C)(C)C 1784315747 ZDHCJUURZIXLCT-HPAQIXTCSA-N 449.596 0.989 30 20 ICED COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1785198244 OTPUELFLCBXAOI-WDSOQIARSA-N 443.548 0.894 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1785425031 XLENJGLADPLSNZ-JKSBSHDWSA-N 435.521 0.458 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1785576079 GPIWALJQPWLGBK-FSPMIEBCSA-N 449.504 0.764 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1785708805 SLRJEXBDBHHFCP-IERDGZPVSA-N 435.521 0.912 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCC2 1788414212 HRZFLJPWIQZHCF-KKHGDKKTSA-N 445.520 0.952 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccnc1 1788652351 BVJYYVKHQCLTDI-QMRQPPODSA-N 433.509 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1789892484 WCIQMQUWIIEQPH-IHRRRGAJSA-N 432.420 0.586 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791132294 ICTOOAFBXHPXQG-MUGJNUQGSA-N 440.537 0.074 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1793346750 LMUHAQPUPDIBBC-GEALJGNFSA-N 427.501 0.630 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1793594677 DCJPFGYWXSHSHA-KYHPRHEASA-N 448.524 0.337 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797249088 PYWFRSSWOQVQDB-FLNBYBTLSA-N 433.574 0.795 30 20 ICED NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783737 DRJKPMWGLOWRAQ-UPHUGPLXSA-N 439.512 0.687 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1797808943 SACMIDPEJDPDPS-NNYDRLTOSA-N 432.477 0.579 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C 1798279816 NHQZUOQXAOYYLA-YVSFHVDLSA-N 448.568 0.804 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798925800 OUOZOKOCUNTNFG-RMYQPGKMSA-N 447.495 0.975 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-c2ccc(O)nn2)cc1 1799842296 NKVQBZGOUINZAN-VPTLXERWSA-N 436.424 0.140 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CO2)C1 1800708299 HLMOXBGXKOGRIY-XLMAVXFVSA-N 448.520 0.516 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801737190 GYVXJWHAHJODCG-DVWBAYGPSA-N 428.533 0.852 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993521 VTZBOOZXJAQKKS-SLNSOSNZSA-N 431.489 0.826 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1802124590 BNIPSERMTIGEPB-JYYAWHABSA-N 432.477 0.794 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807024002 KUVICKZCBSOFKX-QGPMSJSTSA-N 440.437 0.403 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)C(=O)O 1807203543 AIKPJUUECCYIQF-YQVWRLOYSA-N 444.536 0.432 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1812669357 XWNJWSINBPKRER-WMLDXEAASA-N 435.431 0.851 30 20 ICED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399514 NQAAKHOEMVZFOM-HNNXBMFYSA-N 426.481 0.596 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1829773070 ACMZPOPRRKRZMH-AAZQJQCHSA-N 448.564 0.174 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1830050451 LSYISVVBXDGPAC-NRFANRHFSA-N 449.529 0.710 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1831394204 YTNGUDRHUKIQSK-NJNPRVFISA-N 431.489 0.356 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831411539 WGWJUBHVYHTQPY-JOCHJYFZSA-N 446.504 0.459 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831412454 PIYWEASHCYRSFV-HSZRJFAPSA-N 445.516 0.838 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831426444 LUUHJJUFEQPWEX-VGOFRKELSA-N 428.489 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832701512 MBKHNIHFBVEKGE-DYESRHJHSA-N 433.530 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nsnc3NC)CC2)CC1 1833070309 UDXLVWTZPSIKGW-CQSZACIVSA-N 434.566 0.803 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]nc3C)CC2)CC1 1833075522 WDYWTJGBUKAEQZ-PLNGDYQASA-N 428.537 0.762 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)c1cccc(Cl)c1 1834765867 LKTPMPZMQRXJRQ-TZIWHRDSSA-N 448.907 0.887 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835407988 RHQXPTRFYMRVDU-HSZRJFAPSA-N 425.485 0.117 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cn[nH]c5cn4)CCO3)C2)c1 1837197547 TZFKHBRUTDSPFF-OAQYLSRUSA-N 435.444 0.541 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1(F)F 1837447505 PRQUXXMDCQZFEO-LNDUNRGASA-N 428.480 0.960 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C1(O)CCC1 1837486641 LJUQAOCRTJIBIZ-AUSIDOKSSA-N 448.560 0.693 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531387 LJEXCVSGJKWMTF-DUGKDEJRSA-N 436.465 0.582 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccccc1 1837611028 ANBRAXLJITZPRU-YKSBVNFPSA-N 441.528 0.776 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)c1 1838579573 RIFFSUXLJIWJSE-FQEVSTJZSA-N 443.485 0.802 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc5ccccn45)C3)C2)c1 1838733078 NCDSJRUSSZDQIC-HSZRJFAPSA-N 448.483 0.847 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n[nH]1 1838950303 IDVJRBZNIXHOPH-QFIPXVFZSA-N 437.456 0.868 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1839420212 WAKFMFYGYRVHPN-OAQYLSRUSA-N 425.420 0.871 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n(C)n4)C3)C2)c1 1839451544 ZUAFXUYTCQHYGI-QFIPXVFZSA-N 439.472 0.690 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042224 HEKDEMQZVFRLOJ-OAQYLSRUSA-N 434.565 0.582 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Cl 1840044935 IIJZXSZNSOCUFC-HXUWFJFHSA-N 436.848 0.507 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840254946 QGONNNJZRWWHTE-IERDGZPVSA-N 438.546 0.987 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840566410 LTYWEZXRBASLSF-KRAMAXKOSA-N 440.541 0.312 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845231131 WADYFOWRQIEAQV-HNNXBMFYSA-N 431.493 0.979 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCCNC(=O)c2cccc(Br)c2)CCO1 409589637 UZXGYBQCQHQRDL-CQSZACIVSA-N 431.312 0.628 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1CCCC1 410391662 VQXLBGWKBGLOTQ-HLLBOEOZSA-N 448.615 0.397 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428268449 QUOIQWIRRBXPJB-UHFFFAOYSA-N 427.552 0.769 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433526243 UXDIMKDNHWUBIJ-UHFFFAOYSA-N 435.437 0.774 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 435752071 IYBAVFYZRRVIFF-UHFFFAOYSA-N 444.488 0.459 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3occc3C)c2=O)cn1 440378415 GFYHIXAJPCWETP-UHFFFAOYSA-N 439.497 0.379 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440383579 ALWSTAKJQSKPPB-UHFFFAOYSA-N 442.497 0.603 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 464819231 BCZGXEKNPDFZTI-INIZCTEOSA-N 443.533 0.855 30 20 ICED N#Cc1cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1F 468280459 HUYCNXDFYIFGJV-UHFFFAOYSA-N 438.506 0.851 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 480430319 VWNJVIQDLGRHEO-MRXNPFEDSA-N 442.545 0.688 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nc1 484779377 DRGKMSFDRQSULX-HXPMCKFVSA-N 426.458 0.867 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 494122287 BFJYBBQHVVGWLU-FRFSOERESA-N 434.518 0.557 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)c1 497928537 WNDUTJGUISYVRN-LJQANCHMSA-N 435.436 0.524 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 498060790 DJRHZIONMLGBKQ-INIZCTEOSA-N 435.550 0.238 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O 499412220 CRRCBVDDAAKVKJ-GFCCVEGCSA-N 429.351 0.538 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccccc3OCCO)C2=O)cc1 506184500 YCJUTTSDTNTGKS-IBGZPJMESA-N 436.468 0.857 30 20 ICED N#Cc1c(CCCNC(=O)NCCNC(=O)c2cc[nH]n2)nn(-c2ccc(F)cc2)c1N 508740949 WMZKOKPGAMFUSI-UHFFFAOYSA-N 439.455 0.850 30 20 ICED C[C@]1(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 521519305 PIMRSSBDBWOIGC-LJQANCHMSA-N 427.442 0.530 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CCO1 523070899 TYWITBALVMDCER-QGZVFWFLSA-N 425.445 0.190 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cscn3)c2=O)cn1 523864782 BZBSVIMDUVGMMP-UHFFFAOYSA-N 428.543 0.847 30 20 ICED Cn1cc([C@H]2CN(CC(=O)NC3(C#N)CCC3)CCN2CC(=O)NC2(C#N)CCC2)cn1 526135464 MYJPHEVUPXYFHF-GOSISDBHSA-N 438.536 0.204 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 535352275 ZYYWHHYHDXZUMP-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCC#N 549712591 PIVKAMVFEJOKFJ-UHFFFAOYSA-N 438.506 0.805 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 550368422 AGFXSGYNCBARFG-UHFFFAOYSA-N 433.553 0.904 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 553616008 VOGJSLCYWICJOY-IBGZPJMESA-N 444.605 0.697 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)n1 555377934 MBSAHWLKHWJFSK-UHFFFAOYSA-N 438.440 0.324 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)nc1 556327169 ITDLQEUDZSUIIQ-WMZOPIPTSA-N 447.451 0.777 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1c1ncc[nH]1 574431662 ZALAXKAKYQYAMW-RTBURBONSA-N 449.515 0.404 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 576495522 WWOFEKNGEZQDFA-DYESRHJHSA-N 445.545 0.038 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 581375278 XHWRULFZFSGQPJ-PMACEKPBSA-N 435.532 0.742 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 582030737 FCASKYQDTOUXKY-UHFFFAOYSA-N 434.522 0.991 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)CC2)nc1 587641877 XIDIBUNSBZBCKP-UHFFFAOYSA-N 433.516 0.778 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 588208158 FPXQXEQWGGDBST-CYBMUJFWSA-N 426.477 0.199 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 603875947 KRNZAIHFHUJVLG-UHFFFAOYSA-N 438.488 0.726 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 608828451 UJQPYIGKFAPLIW-UHFFFAOYSA-N 436.518 0.865 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(N)(=O)=O)CC1 728153561 FNLRVARMMRTGCB-HNNXBMFYSA-N 442.563 0.563 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)c3cccc(OC)c3)CC2)c1=O 728908409 JTGUQBVJLGCHGG-GOSISDBHSA-N 441.532 0.889 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 730071921 CTLWYVGUSWQZEZ-PDNPPFGYSA-N 447.517 0.969 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1=O 732186620 VCSLWVNHLCIMRB-KRWDZBQOSA-N 445.907 0.892 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742245192 FXZDAQWDNNUIGD-GOSISDBHSA-N 432.436 0.653 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1=O 749021679 HPOBEIVBAZVWMQ-GOSISDBHSA-N 439.516 0.643 30 20 ICED CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 753479210 UXPHXTOJOBGSLA-CJLVFECKSA-N 437.522 0.423 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 754292652 JMMQNHCMQUMTAY-KRWDZBQOSA-N 426.539 0.047 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2=O)cc1 754421636 QJQYVIVUAKLURB-AZUAARDMSA-N 430.468 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(Br)cn2)c1=O 758050167 DFNFXUXVBTVHFL-UHFFFAOYSA-N 429.299 0.506 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(Cl)ccc2F)c1=O 758056955 YVBYKCVUFGXADA-GFCCVEGCSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 758070588 VGEMJCVUOBNSSC-UHFFFAOYSA-N 441.509 0.598 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cscc2Cl)c1=O 771913571 KLFRLBBJUOAJJK-LLVKDONJSA-N 441.962 0.925 30 20 ICED CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 774293907 AOMUSMPBNAHILD-HNNXBMFYSA-N 431.518 0.864 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)nc12 783280768 CVSPSINRZVVYFZ-IBGZPJMESA-N 446.423 0.825 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@H]1CCS(=O)(=O)C1 783479442 KRJBLSPUKIIMQV-IBGZPJMESA-N 446.573 0.724 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 783482455 XVORMDVDFRDCLI-NSHDSACASA-N 428.413 0.729 30 20 ICED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 784007382 FTYDOVCDQFDOLH-WYOZQYPVSA-N 449.533 0.565 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O)c1cc[nH]n1 789957519 RXAGQYIFOYNFOD-GFCCVEGCSA-N 437.478 0.942 30 20 ICED C[C@@H](C#N)OCCN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 801910813 BJCDWFVQQIQUTD-LBPRGKRZSA-N 428.898 0.906 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 804387620 DFCJWHNRSSDTSW-CYBMUJFWSA-N 430.490 0.267 30 20 ICED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 804550361 FLQUSBWNIVOWKM-UHFFFAOYSA-N 429.502 0.306 30 20 ICED NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804889381 AFARDEOEWNXEGT-HNNXBMFYSA-N 434.905 0.981 30 20 ICED CC(C)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1 805612888 DBGIBKWJSGSPFM-UHFFFAOYSA-N 448.545 0.809 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCCC4)O3)C2=O)cc1 806692862 JBRBCJNVHILGJZ-MOPGFXCFSA-N 440.500 0.967 30 20 ICED O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCN/C(O)=C1/N=CC=CC1=O 810382372 NPORHDHPFOJJIT-VXPUYCOJSA-N 428.470 0.761 30 20 ICED C#Cc1ccccc1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 811261574 ZFXQKLGLSWYGQE-UHFFFAOYSA-N 445.497 0.892 30 20 ICED CSC[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 813984001 LLGBEANPYLTPNU-ZNMIVQPWSA-N 436.515 0.665 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249388 NRXVQCDEXMUTJM-UHFFFAOYSA-N 425.461 0.045 30 20 ICED CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@@H]1CCN(O)C1=O)n2CC(C)C 816690770 BZBKAFBYOGAIRP-CYBMUJFWSA-N 434.497 0.794 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C(=O)NC)c2ccccc2)c1 918957129 SGDZXSIIIAWVOX-IBGZPJMESA-N 445.497 0.911 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3c3ncon3)CC2)cc1 1319905095 YYVKVDLYJISTDL-KRWDZBQOSA-N 431.474 0.942 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1440877787 ODQAKFOPRXDJKH-CXAGYDPISA-N 435.531 0.391 30 20 ICED CC(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1509281064 SVLQHEUIGYXCJZ-CVEARBPZSA-N 426.543 0.776 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1510156828 LSFOXWWMCDICEQ-PBHICJAKSA-N 434.522 0.812 30 20 ICED N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1654251448 MLMUBLZRUKUFFT-UHFFFAOYSA-N 430.889 0.272 30 20 ICED CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1655930829 WJDNKMCONQQCHW-UHFFFAOYSA-N 437.547 0.835 30 20 ICED CCOC(=O)C1(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1659432697 LDHCSNBUMBJDNO-UHFFFAOYSA-N 441.531 0.680 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)c1ccccc1 1692802014 OBFLZOAQIMUHCK-DOTOQJQBSA-N 433.538 0.753 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1708153759 ZYKMNJPLUOIREB-MCFFVMPBSA-N 440.504 0.936 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380129 JNENQQFNEJHKSU-VGSWGCGISA-N 445.520 0.033 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)n1 1778849331 PDXBMVCUPOXFAO-HQMUEHRGSA-N 444.517 0.650 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1778972052 SEXCYTOPCGZARO-VFNWGFHPSA-N 434.493 0.715 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779103558 WQBIAFKJJROYHM-MXZSFLGVSA-N 442.476 0.702 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1779134846 NISABJWEYNJAGU-XUHCNCODSA-N 439.472 0.353 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1779220933 LFPQBJYBWQQOSS-ZHRRBRCNSA-N 438.488 0.938 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779279978 IDDVWIONDXBWAJ-OYHNWAKOSA-N 428.464 0.760 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2)[C@@H](O)N1CCOCC1 1779414965 ZTFVMWZNWPVHPI-AGILITTLSA-N 441.528 0.203 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779654205 GNGRMGKYHQMWSX-ACJLOTCBSA-N 428.411 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781057958 WWIUKEMDVYVCRR-PNCHPQGNSA-N 447.532 0.727 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)ccc1F 1783288605 UFJHTSYLQPZYEZ-DYESRHJHSA-N 431.468 0.422 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1783531222 JQELGFNJCSIDRY-MLCVQOOXSA-N 442.472 0.262 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643049 DEILGQRBIRZOEU-HSZRJFAPSA-N 427.501 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785263202 PHBRSOPRESXAEA-LXHZQTKUSA-N 431.464 0.620 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cccn3)[C@H]2C1 1785437908 MSKPXHGTOPECOZ-REAYBDLQSA-N 429.521 0.357 30 20 ICED Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nc1C 1785573872 VSBTVIVZCRVIDD-ULQDDVLXSA-N 444.536 0.674 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1785596115 LMZMGURWBXMTBP-OIDISNMWSA-N 446.548 0.814 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787489819 MRNUTJYIKHEEQA-QAETUUGQSA-N 432.477 0.330 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cn2ncccc2n1 1788015024 KVGQRYYFYDRZMQ-YMZMDHBOSA-N 439.520 0.794 30 20 ICED C=CCC(=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 1789810016 NNXHQPHPNWHAHE-TXTZMMAHSA-N 437.537 0.770 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1789953852 LEMCMFBBZLSHHW-FHIRATQRSA-N 433.465 0.569 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1791269014 RJGADRZFDYIUHB-FHWLQOOXSA-N 439.578 0.441 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1792536294 RJUZFMXFWSAKGR-PIKOESSRSA-N 428.489 0.685 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793824408 ICVBEHZLGKLJHD-DRXBFXEBSA-N 429.589 0.356 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797560633 NITCXLJCCFCOKU-ALXJQNPVSA-N 425.493 0.214 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797712172 SMBKJERRESCNSS-OCVGTWLNSA-N 431.518 0.863 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2 1797811776 VPTHZUBPTQXUOR-GEOOHVNFSA-N 434.468 0.882 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)nn1 1798371961 YRJKGHVCCSSFOL-VPTLXERWSA-N 439.447 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)c1cnccn1 1798548748 LYXCNLZPKJPGBR-GSBMDQOXSA-N 440.504 0.092 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745107 RBRJVWHSEKWBTC-FRQROOTJSA-N 437.493 0.581 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800545616 FORXTOIOKHMHFF-BJWYYQGGSA-N 426.508 0.567 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1801379790 XEJFUCQGRJGMMJ-SUNSWJJASA-N 427.505 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1802482826 RSMBPEWJPSXLKQ-AWWPTUBISA-N 436.516 0.922 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803542818 JSMYBPVAZDLXBV-SIXWZSSISA-N 449.471 0.171 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804183088 KONNLLYNHPQQTK-KXBFYZLASA-N 431.518 0.558 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187043 LBOYTXQPYNGKHE-JTDSTZFVSA-N 443.504 0.212 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190233 DDFHXIVCIFAUFR-LAUBAEHRSA-N 425.489 0.833 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806586445 UFHAMUFYGSTTGO-SSDVNMTOSA-N 429.477 0.482 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)CCOCCOCCOCCOC)[C@H]1c1cccnc1 1808821000 VPJMBSICISNSLL-NFBKMPQASA-N 447.532 0.807 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809825697 MMEQBYANPIBWLH-GOSISDBHSA-N 441.532 0.761 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811789964 AJCCDUDEDXNIGI-RXVVDRJESA-N 446.467 0.825 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)C(F)(F)F 1812682105 JNIGVBKCTJSJJK-SJLPKXTDSA-N 444.454 0.493 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813229367 MDHLHSHQVOZNPU-REWPJTCUSA-N 430.549 0.568 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NC(=O)C=C)[nH]n1 1814437807 KADLHQYGIAGBMI-SYMMMWLZSA-N 428.493 0.951 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901967 XMMKUFQLVKYBKQ-QGZVFWFLSA-N 446.552 0.440 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628876 YRKPKONGOSNDCV-GAJHUEQPSA-N 442.516 0.459 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)c3)C2)C1 1829769552 ZSKTZCMZFCQEBI-XBKFQHLESA-N 443.500 0.624 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1829861243 JOUDJIDTFRVJTH-NZQKXSOJSA-N 442.516 0.737 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830204896 AZQRWFZDFFJYAG-WPSCODHKSA-N 436.553 0.858 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830877766 OARWOGWWJVTHKU-UNMCSNQZSA-N 431.489 0.410 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1830979550 DQDGVPQRINNCJC-XXBNENTESA-N 444.532 0.599 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831184925 JKQAOBWEAGOAPE-JNVMUYNCSA-N 434.493 0.070 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831276553 PKWPWETTXAJOFS-FQEVSTJZSA-N 434.880 0.418 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831427979 WOWVAQHNOWNAAG-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1831428041 XZTUCPDGSQYMAY-KKSFZXQISA-N 448.476 0.959 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1832447044 PGZSGTKPDQORLL-CBGDNZLLSA-N 440.562 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832590046 CRZFSBGTHSUCJQ-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833387672 AXWNDIIFLQFNNV-AOMKIAJQSA-N 448.520 0.030 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665480 GBEIPQTWVFGDFP-HNNXBMFYSA-N 430.486 0.495 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1)C(F)(F)F 1834736366 ODBRZQFUNNDHMA-OAHLLOKOSA-N 433.475 0.269 30 20 ICED CC(C)Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(C)n1 1834946878 JZOAHDOGGVSSQU-UHFFFAOYSA-N 443.548 0.892 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)[C@@H]1C=CCN1 1835051554 YZMHPSYOODVMFO-WUQWGJGYSA-N 433.553 0.615 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835124112 MTPUJGMXHOESNN-AVRDEDQJSA-N 426.473 0.215 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1835352012 JREAPXWZLRAZEN-VGOFRKELSA-N 429.473 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835717784 LETATHQFASDXFF-GOSISDBHSA-N 446.548 0.056 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1835754704 PLIDFWYTMFVNPK-UGSOOPFHSA-N 443.566 0.371 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837397726 ZKPGKVPOXBNKLH-MBSDFSHPSA-N 442.516 0.977 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431380 LATQDJQYFHWSRC-OAQYLSRUSA-N 437.613 0.630 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486591 KGGUDGJBHIYFFC-NOXFTYBFSA-N 436.549 0.548 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837488735 OAPLBKMENVTBMK-JOCHJYFZSA-N 431.489 0.752 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837573796 FHEMHPOQTBORSH-JKIFEVAISA-N 435.637 0.804 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1)c1ccccc1 1837612521 GIESYQZQWLODDX-WMZHIEFXSA-N 441.532 0.123 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccccc1 1837615975 RRUCHZIZWUWQIN-XUZZJYLKSA-N 441.528 0.776 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1837807510 PSJJKIWJBZXSRN-KRWDZBQOSA-N 426.627 0.941 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837970725 VYNGSLYSTUOYHR-OAQYLSRUSA-N 436.461 0.351 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)ccn1 1837979115 FVBRWTRJWYSYJX-IIBYNOLFSA-N 434.493 0.961 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951310 KDGCKTUCPJTVMA-HTAPYJJXSA-N 438.488 0.556 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1839420517 NRFALPHRDFPUKR-NRFANRHFSA-N 427.436 0.733 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570246 CRQPEYWMVJHSRG-AUSIDOKSSA-N 442.516 0.977 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccs4)on3)C2)C1 1840042416 UMZCLPBNNYOUAP-HXUWFJFHSA-N 445.453 0.561 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840361485 YHNVKMKYAAQHAZ-FDDCHVKYSA-N 446.548 0.954 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1840714126 VNYYJGNFDDAQTL-KSFYIVLOSA-N 438.488 0.826 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)CCC1 1840814009 JULYSJPGAHYKSR-KRWDZBQOSA-N 433.383 0.242 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844286336 JBFUZJLWFXKNHS-SUMBUIOXSA-N 439.465 0.214 30 20 ICED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)NC(=O)OC(C)(C)C 1846932658 IUVSDUOAZKXSCD-AWEZNQCLSA-N 433.509 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1847263733 MCOIMCBSGZLPLW-LUNKNMTDSA-N 442.428 0.997 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 10808572 RRLLKNXIQOHHNW-UHFFFAOYSA-N 447.517 0.844 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(Cc2ccco2)CC(F)(F)F)c1=O 105162324 WGSODTVDQBRXNM-UHFFFAOYSA-N 428.367 0.728 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426367115 VCRCOFPXAWCVHO-JKIFEVAISA-N 429.477 0.415 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 442282318 BMYBDUJUTAFJKZ-UHFFFAOYSA-N 449.577 0.328 30 20 ICED C[C@H](C(=O)NC[C@H](CC(C)(C)C)NC(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 442816763 LKOBJFMRBJPURI-MCIONIFRSA-N 426.485 0.472 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)n1 472158651 PXXOYBUIGDJVRE-PMACEKPBSA-N 440.548 0.527 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477226767 ZWZJOWCSCGMJPZ-UHFFFAOYSA-N 446.460 0.799 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 480222401 ZXVJDVVPFIQXQI-UHFFFAOYSA-N 446.960 0.535 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480797967 IAYLFQGNAYHCDX-AWEZNQCLSA-N 442.563 0.545 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OC 481775890 HFGFCASXLYTTCA-MPGHIAIKSA-N 440.518 0.959 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 482144373 VLLZXCAVNFQHLZ-CQSZACIVSA-N 435.506 0.820 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(C)cnn2C)c1=O 505689823 JUHCKLRBGCBUKG-UHFFFAOYSA-N 442.589 0.419 30 20 ICED Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1S(N)(=O)=O 513701557 VSVAILYMUZTFKM-UHFFFAOYSA-N 448.526 0.661 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)N1CCOCC1 519852602 UOYYQBJFLPEFAT-UHFFFAOYSA-N 448.549 0.676 30 20 ICED N#Cc1ccc(CNC(=O)CN2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 520173119 MBQKOXYBPRWOCF-UHFFFAOYSA-N 430.512 0.980 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(COC)o2)c1=O 531684063 IEXUXXOPTDMLCW-UHFFFAOYSA-N 431.514 0.811 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 539191956 WDDPWENEFNPQRR-UHFFFAOYSA-N 441.410 0.846 30 20 ICED COc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(NS(C)(=O)=O)c1OC 539356137 NGSLWHGUEVBZCR-UHFFFAOYSA-N 436.494 0.957 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 551143728 MMTCTNKTDLUFTN-HXUWFJFHSA-N 433.516 0.778 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1NC(C)=O 553013775 UMYBSPVTLXOHAT-UHFFFAOYSA-N 436.472 0.885 30 20 ICED C[C@@H](C(=O)NCCCNS(=O)(=O)c1ccccc1Br)n1cnc(C#N)n1 561321276 WNUFDZZLGJKFSX-NSHDSACASA-N 441.311 0.958 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 564261647 FIMMBZMRGUGLCJ-INIZCTEOSA-N 438.488 0.797 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 570611138 UHJTXPIPCPVVOS-MOPGFXCFSA-N 428.514 0.588 30 20 ICED CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576425317 FEXNCMMKFMRXPQ-HXUWFJFHSA-N 437.500 0.959 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c1=O 577414273 GZTNORKBQSTRPR-UHFFFAOYSA-N 431.456 0.988 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 581095618 WFUOGYYMMIRYHR-QKLQHJQFSA-N 441.532 0.785 30 20 ICED CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 603551983 WTBYPEMHYBRXLH-FQEVSTJZSA-N 449.577 0.931 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 603587125 JBIDEMXJSQANNB-NZSAHSFTSA-N 448.520 0.570 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1C 604270488 SMXUJIAYTFHZSP-UHFFFAOYSA-N 440.569 0.951 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911571 JXQQSFFMRJEYAN-UHFFFAOYSA-N 439.324 0.730 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 609199931 ZYDNCHKSDZHJDS-MRXNPFEDSA-N 429.525 0.843 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 611492493 ZJTGRVOJAYXXCB-UHFFFAOYSA-N 430.505 0.473 30 20 ICED COc1ccc(NC(=O)C(=O)NCC#CCNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 681339268 MQCCOBMBUXCJLM-UHFFFAOYSA-N 438.440 0.517 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCN1CCCC1=O 727956608 HQSOCBUTUYQNFE-UHFFFAOYSA-N 426.429 0.922 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)cc1 744560940 JXRJFUBJUACNKL-UHFFFAOYSA-N 428.492 0.020 30 20 ICED Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 747911575 RQFHMZKCLKPJJD-CYBMUJFWSA-N 442.476 0.526 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 750966556 JDLARTHURFOSDM-OAQYLSRUSA-N 430.428 0.617 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761009251 CSBKYMPTDRHNHP-UHFFFAOYSA-N 426.470 0.987 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1=O 762097021 OTKWAVSBZRTXJC-UHFFFAOYSA-N 438.410 0.136 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1Cc1ccon1 765144052 DIWWNZCKVDXBDT-UHFFFAOYSA-N 445.526 0.367 30 20 ICED N#Cc1c(CCCNC(=O)C2=NN(CCO)C(=O)CC2)nn(-c2ccc(F)cc2)c1N 765471417 NLRBVYWSUYLJIL-UHFFFAOYSA-N 427.440 0.485 30 20 ICED CCOC(=O)CN(C)C(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 783903050 NFDKKDJYQBVCCH-GFCCVEGCSA-N 425.463 0.068 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 784866257 NGJSRENYQRRWMB-INIZCTEOSA-N 445.497 0.294 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 787003371 WUFLJPPFICFFFD-WOJBJXKFSA-N 440.500 0.920 30 20 ICED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 788636587 RRPLYJDTWKHKSG-UHFFFAOYSA-N 430.280 0.717 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NCc1cccc(C#N)c1 789118663 OHJYKUDHPOXEKL-FQEVSTJZSA-N 428.445 0.333 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)[C@H]1CCCO1 809307998 IMIVIYDSKRKMCY-PCCBWWKXSA-N 439.560 0.739 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250656 UTPYZVLPJCMXPK-UHFFFAOYSA-N 440.435 0.541 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 916640597 YNYCLSVFZVKODH-UHFFFAOYSA-N 433.494 0.686 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 917750568 RZYQEPKCXPDXQP-SILNSSARSA-N 439.519 0.738 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299317694 QKPINZMJEKQWIG-UHFFFAOYSA-N 447.569 0.020 30 20 ICED C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1303627404 JYCAIXCYLCLQQH-HUUCEWRRSA-N 446.537 0.945 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1502618556 JREYUEPYRQYAPL-DYESRHJHSA-N 433.557 0.833 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 1731184409 AAVVEFZJQNMJAR-HRAATJIYSA-N 426.477 0.582 30 20 ICED CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770260206 QBLISJVODNTXKS-QGZVFWFLSA-N 431.518 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1778973623 MLLHCPIYAOXSKP-PGRDOPGGSA-N 442.553 0.459 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1cccnc1 1779134845 NISABJWEYNJAGU-NWBNNPRYSA-N 439.472 0.353 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175307 WWWRCSFZWHNLTF-OXQOHEQNSA-N 434.518 0.920 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1780596970 IAPPSFWJDZZBSV-QFIPXVFZSA-N 437.456 0.728 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1782060867 MGKPEAGDVBFQTE-IBGZPJMESA-N 438.406 0.989 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccnnc5O)CCO4)C3)c2c1 1782196956 SWVBLLGUSDMXES-OAQYLSRUSA-N 433.428 0.687 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054241 CRJNFKWIPMABNO-DWKCODDLSA-N 447.532 0.864 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757216 XPXUYJCLGMUGCC-DRRDTLGUSA-N 436.509 0.358 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783909039 NNTNZJFRPWPVFR-IEGUWTFLSA-N 449.548 0.990 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1784439400 WJNWRBGEBGLMOV-YXMSTPNBSA-N 435.612 0.248 30 20 ICED C#CCO[C@H](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 1784477424 AAGSIQMVBBMIOF-VOAKCMCISA-N 438.374 0.360 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1784485420 LZBVNAZMHZNPJE-VOAKCMCISA-N 429.399 0.455 30 20 ICED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)no1 1785274101 MHMFSQDQTNQLTM-ZVZYQTTQSA-N 449.471 0.962 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)CC1 1785328449 FKOGCMODCRFXAF-RMRKRWHISA-N 441.488 0.276 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785381921 IXEIKRBRQPOKGA-JOCHJYFZSA-N 437.456 0.636 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1785427684 UKLICDMNKHYVGJ-VXKWHMMOSA-N 435.521 0.602 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1785571122 AKIJHJBVOJUGGE-IEGUWTFLSA-N 448.564 0.827 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1785631773 JGMIKLPSZOYLSG-VGOFRKELSA-N 428.489 0.387 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789173138 YKCGRHSONUBNCY-FZCLSBEQSA-N 443.504 0.515 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)n1cnnn1 1790330306 GTPLMDINHCJCDB-GKEYINFOSA-N 449.475 0.276 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(C)=O)[C@H]3C2)c(C#N)c1 1790846777 CDYCHUCQULKXQK-VDGAXYAQSA-N 428.489 0.225 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]3C2)c(C#N)c1 1790868278 MSTWJFMOVIAHIJ-XWIOLROMSA-N 442.516 0.614 30 20 ICED 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0.033 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1837870060 NGGBFNNDQCKPHA-UHFFFAOYSA-N 431.541 0.559 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)c(C#N)c1 1839131882 FOGRMCIAAINHGI-OFNKIYASSA-N 443.500 0.745 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227128 KDCCVLWZWMVUBE-FIKGOQFSSA-N 425.526 0.817 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(NC(C)=O)c3ccccc3F)C2)C1 1839809139 GHOLJNYWYYKWLW-YADHBBJMSA-N 431.464 0.267 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839908587 NWQVJBNVMNPSCE-GVFUYMABSA-N 444.532 0.863 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ccccc4c3)C2)C1 1840041392 KOSUHRIVNDXYSK-XMMPIXPASA-N 436.464 0.927 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC=C)CCO2)C1 1840176640 OPMXIOGYEKGPBN-JTSKRJEESA-N 435.521 0.936 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840195097 OPPLKFWGCAIQIE-DENIHFKCSA-N 447.557 0.671 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1)c1ccc(O)cc1 1840220042 UQJCMQPWJYUEMX-RDPSFJRHSA-N 443.544 0.907 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840293864 ZISRCVMDJTYDCJ-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497623 LLRRJEKKWWJLCO-LJQANCHMSA-N 425.432 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647365 FAJKTGUFWFUJJT-KSFYIVLOSA-N 446.504 0.656 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816407 QWLYJCTXPMNRAM-QFIPXVFZSA-N 429.521 0.730 30 20 ICED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1841005629 CLTXXAJMSKVBRS-UHFFFAOYSA-N 431.456 0.739 30 20 ICED C#CCCCC(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1846373971 FTNWHIQRNABYLI-UHFFFAOYSA-N 442.541 0.848 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 110299125 KRKDDPMBBCLOCP-UHFFFAOYSA-N 442.495 0.801 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 428687723 WUBOHLMZBCAFOW-WCQYABFASA-N 432.424 0.752 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 434521424 BVHICNNNXBVYFH-UHFFFAOYSA-N 436.538 0.946 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 437729376 GZMHFBCDWMNLTE-UHFFFAOYSA-N 444.513 0.894 30 20 ICED CCCc1c(NC(=O)C(=O)NCCNS(=O)(=O)CC)cnn1-c1cccc(C#N)c1 443732933 NQKQAJLQEXPAHO-UHFFFAOYSA-N 432.506 0.690 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469730670 CCDSJOVHVNBQEK-GOSISDBHSA-N 433.578 0.842 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 470821239 OHQBIWVCGTUPLT-UHFFFAOYSA-N 441.510 0.934 30 20 ICED COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472189742 GWHXTJLGGGRPDA-UHFFFAOYSA-N 433.490 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 479875228 VMIOPFJHWCZSOH-KRWDZBQOSA-N 447.561 0.382 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 480525830 KMHLUDSYHKQRIC-HOCLYGCPSA-N 442.563 0.545 30 20 ICED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 486121440 OOVBPPKJTIWSOJ-MRXNPFEDSA-N 433.515 0.627 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 488983603 ROHASGLFCSEXRM-CYBMUJFWSA-N 448.460 0.876 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3cscn3)c2=O)CC1 489022361 WAJBESOIGDYZAR-ZDUSSCGKSA-N 430.555 0.742 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 490358120 BHARTNWTKOPCAI-KRWDZBQOSA-N 430.505 0.581 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2SC)OCCO3)CC1 491201242 NFPHCMCVXGEAJV-UHFFFAOYSA-N 434.518 0.565 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)cc1 491820641 QLXHQLXUIFKCEV-UHFFFAOYSA-N 436.534 0.813 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](COC)(C(=O)OCC)C1 508473098 NAUBVDNMYCXGQB-KBXCAEBGSA-N 429.543 0.870 30 20 ICED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508873944 PGHWLXCHRNJRGO-UHFFFAOYSA-N 444.561 0.935 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)nc1 509953448 AVVJIMKGGPJXPN-RZZCCWGQSA-N 446.529 0.795 30 20 ICED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)NCC#N)cc2)C1 511057492 LKEUWXSQEOLFDW-ZIAGYGMSSA-N 428.536 0.271 30 20 ICED N#Cc1c(CCCNC(=O)NCCN2CCNC(=O)C2)nn(-c2ccc(F)cc2)c1N 512692367 BMVFGDJSPJEVSR-UHFFFAOYSA-N 428.472 0.129 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C)c1=O 512728123 CVBPRSKBHKPINS-UHFFFAOYSA-N 437.481 0.576 30 20 ICED Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1S(=O)(=O)NCC#N 518217209 VOPQWWARALGPDF-KRWDZBQOSA-N 435.550 0.469 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 518642179 YZULIDUDNLZNLU-UHFFFAOYSA-N 439.455 0.508 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)CC1 518724377 XDLDDQVTVCHFOH-UHFFFAOYSA-N 426.546 0.035 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 530414333 AQFCVGDCYPDNBS-UHFFFAOYSA-N 444.517 0.599 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531852228 FQETTZHMVXIKSB-UHFFFAOYSA-N 437.550 0.711 30 20 ICED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543008986 QSODWTQZGQTRAS-HNNXBMFYSA-N 427.484 0.964 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)nn1 546563391 FQKBXACJRVVSTN-OAHLLOKOSA-N 446.489 0.652 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CC1 554158514 KFVDEOZIVUBYNR-IBGZPJMESA-N 445.539 0.666 30 20 ICED O=C(NCC#CCO)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 564297957 KZUFJEOQMMKEGF-UHFFFAOYSA-N 435.271 0.335 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)CC2)nc1 566073524 GTPWKUFJUSYWNG-UXHICEINSA-N 440.548 0.486 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cc1 569892063 ITRRLYQTZRQZGV-LJQANCHMSA-N 426.498 0.843 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C)CN1S(=O)(=O)c1cncc(C#N)c1 583112897 LDJAOEYCNWNBAK-OKILXGFUSA-N 446.514 0.692 30 20 ICED CC(C)N1C(=O)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 584313414 PIFYORLNZVSMEC-GOSISDBHSA-N 439.516 0.633 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 610199900 NUPDIERHAMCIHY-UHFFFAOYSA-N 436.476 0.844 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2occc2C)c1=O 610358230 IJGNRCNCYWDFGT-UHFFFAOYSA-N 444.557 0.515 30 20 ICED COc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1-n1cnnn1 610376728 KLNUQNIIZQNSEN-UHFFFAOYSA-N 447.459 0.661 30 20 ICED N#C[C@@]1(F)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 615524584 ZRFVWNIQUVFDEM-CJNGLKHVSA-N 430.483 0.621 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1C#N 679753252 KXUPXPWEBDMSBU-UHFFFAOYSA-N 436.493 0.538 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3ccccc3)o2)c1=O 727163675 FVJSSEQIZNKZNO-UHFFFAOYSA-N 440.506 0.746 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CC1 729042761 JGIVWWACTCEASC-UHFFFAOYSA-N 440.508 0.913 30 20 ICED CCNS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731642855 JIJCRFSRNQGBSI-UHFFFAOYSA-N 428.536 0.014 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)ccc21 735765995 ZFSKCVPPDGFKDA-UHFFFAOYSA-N 426.454 0.702 30 20 ICED C[C@H](CC(=O)NCc1ccc(S(N)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 742486191 NIZJBOFTYZVIEF-SNVBAGLBSA-N 442.544 0.529 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)C[C@@H]1NC(=O)NC1=O)CCCC2 751576014 DMYMIWCXCBGJHC-WFASDCNBSA-N 443.460 0.497 30 20 ICED C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NC1(C#N)CCCCC1 753656068 WWCNIXPWDATLGZ-UONOGXRCSA-N 438.506 0.426 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[nH]c21 756891630 GGJPIBVGLWZUJD-QWRGUYRKSA-N 431.453 0.170 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758039335 CCCSSMSAROBRFY-HNNXBMFYSA-N 428.539 0.879 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 758567396 CVOSSXYBJWERBQ-GXTWGEPZSA-N 442.498 0.152 30 20 ICED CC1(C)NC(=O)N(Cc2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)C1=O 763309835 VWDPZUSDCICCKG-UHFFFAOYSA-N 432.462 0.571 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N=C3C[C@H](C)ON3)CC2)cc1 765383296 GDSROTCCGFXNHG-AWEZNQCLSA-N 438.506 0.547 30 20 ICED N#Cc1ccc(NCCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc1 776061831 PCFLPJFRDJEFFE-UHFFFAOYSA-N 431.478 0.603 30 20 ICED CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 784717967 LRSOIXLAYNZYLQ-VLGSPTGOSA-N 438.448 0.502 30 20 ICED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788338123 GZKVNJOKRMUBFT-UHFFFAOYSA-N 439.476 0.472 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3cnn(C)c3)c2=O)CC1 794610427 DILJBKKDPPQKPS-INIZCTEOSA-N 441.557 0.409 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CC(C)(C)OC1=O 795682115 FXRBGBVZULKMGG-MRXNPFEDSA-N 434.518 0.417 30 20 ICED C#CCC[C@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 799073556 MHRNQMATMKHMGO-KRWDZBQOSA-N 439.509 0.329 30 20 ICED CCOC(=O)CON=C(C(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1cc[nH]n1 801336494 MHHIMCWUYATAEQ-HNNXBMFYSA-N 441.444 0.938 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(NS(C)(=O)=O)C1 801459196 PXVTZVUNIGYAHX-SSDMNJCBSA-N 442.563 0.480 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CCCO1 809309820 HJBPGEKAZUCQJK-NJAFHUGGSA-N 437.493 0.392 30 20 ICED Cc1nsc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C#N 810891611 DRQXKVQCAGTNEY-UHFFFAOYSA-N 430.515 0.711 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815552411 AFZXXESCIHYPRP-UHFFFAOYSA-N 438.387 0.045 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 857752479 PJKIFQTULZNFFS-SWLSCSKDSA-N 428.894 0.554 30 20 ICED CCS(=O)(=O)NCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916694907 XAOPKUHVRISPSG-HKWRFOASSA-N 431.540 0.560 30 20 ICED N#C[C@@H](C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917075858 XRRYURNRSDNPHL-HNNXBMFYSA-N 441.513 0.476 30 20 ICED CCOC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918265627 UKVDDLZHVJKRLT-CJLVFECKSA-N 438.506 0.897 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 918992110 SJNPBFQZJHPCPI-AWEZNQCLSA-N 438.506 0.218 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CC(=O)NC3CCCC3)CC2)c1=O 920087152 YIVXOSHVLAUJLW-UHFFFAOYSA-N 431.537 0.662 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1286536984 UYGRDSBTRBNDAF-OLZOCXBDSA-N 449.375 0.318 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)CC(F)(F)F 1286960411 NAQXGBSJUCGNRT-RYUDHWBXSA-N 425.481 0.978 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301017655 LPXVBRKXDYOXGE-CQSZACIVSA-N 447.993 0.287 30 20 ICED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N(C)C 1303722303 MZBFUEAMIGLPPS-DOTOQJQBSA-N 439.586 0.691 30 20 ICED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1323532692 KXGRORHAVCODLU-CQSZACIVSA-N 442.494 0.347 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCN1C1CC1 1462159428 DOYJUTHDLPAXCY-WOJBJXKFSA-N 425.533 0.958 30 20 ICED Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1543085674 VVZZMIUGFVTESJ-JKSUJKDBSA-N 436.542 0.521 30 20 ICED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1=O 1547623409 RWESQHFIJGTVRI-ACJLOTCBSA-N 437.501 0.560 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCC(F)(F)F 1614023806 LLRVUNWPWGDVCT-UHFFFAOYSA-N 439.446 0.759 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CC1 1727608395 XFTORBVWJQRQBN-AWEZNQCLSA-N 430.538 0.794 30 20 ICED CN1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1767515226 LZRPDGVTJIXFKM-KUHUBIRLSA-N 431.522 0.065 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778085259 IWXBUDSVUGQBHG-YZZKKUAISA-N 449.548 0.848 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1779319574 QORUNJUAZZIPCD-NQIIRXRSSA-N 448.907 0.806 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300623 YGQPTUGKXDMBPO-YADHBBJMSA-N 447.463 0.686 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1781396549 RCPLSVHIQQRDGK-BTYIYWSLSA-N 442.476 0.334 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccc(F)cn3n2)C1 1781434117 ANKQHQNECMVLDL-JLTOFOAXSA-N 429.408 0.084 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](N)c3ccccn3)CCO4)c2c1 1782195827 KURWYZUUIJKRCU-CVDCTZTESA-N 445.483 0.973 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cncn1 1782530465 UYGAUZTWTNFUEO-GPRAMGILSA-N 448.524 0.882 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cnnn1 1782604262 ZPTCOMCIIMOZAC-KHEABUANSA-N 449.512 0.277 30 20 ICED COC[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 1787471753 ODOARVJOCVLUFJ-YXMSTPNBSA-N 445.582 0.824 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788611074 JODSWAMZYZRDDF-FHWLQOOXSA-N 443.573 0.564 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](C(=O)OC)C1 1792972244 DVDQHRSKHUNHKG-ZQOJQMTGSA-N 436.505 0.675 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793352180 ARBAVMTTYAHPPF-JHDGKUDLSA-N 442.560 0.956 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1793359009 YQXORKZHFPXVMP-PNBKFKSVSA-N 429.477 0.125 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCC)cn1 1794340115 CVFHEJFONFJPQM-CCWDJLKJSA-N 432.477 0.588 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797691413 VIIXWCZTWJFNLJ-DEYWJSPQSA-N 427.505 0.398 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1797740951 IWUPSDVKFDQEKZ-HZJZVWOPSA-N 425.493 0.633 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798434912 LSBRVECCWMRBEQ-KZRJEWPESA-N 443.552 0.567 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1799393472 IJWSWLZJCDBYBC-AYDFFVQHSA-N 430.465 0.439 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1799682407 KSZHQKZQTIGMIZ-ZMMAXQRCSA-N 444.488 0.605 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC(c3ccccc3)=NN2)c1 1800154735 IYGYBTKORDKGMS-SHJAMOMRSA-N 432.484 0.856 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc(Cl)cc1[N+](=O)[O-] 1800779466 HHXQKVIUQJORPS-KSPBDQMDSA-N 435.820 0.848 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)c1 1801300731 JWYNOOQYHOUCDV-FVCICTRLSA-N 430.465 0.811 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1cncn1 1801360081 QUAZKQHUUDAOCH-NYYTWLDWSA-N 426.452 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1802481163 HCMTYAHEMYSBQC-VKRNSVOSSA-N 430.534 0.572 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803543358 BGXRGLIAXCMOOS-NRJQMVOHSA-N 438.484 0.441 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1804127019 UHNSPXHYAKPKEZ-BCDXTJNWSA-N 436.468 0.890 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)N2CCCC2)[C@H]1c1cccnc1 1812875527 XOQHZHGNPRWDED-VGSWGCGISA-N 426.473 0.578 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814560416 BAPJVICLSUQGIG-CQSZACIVSA-N 434.566 0.669 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276033 NQKUETILYLNHQD-GHMZBOCLSA-N 432.593 0.799 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1819716254 ZZGHUEKYOLTZHB-GWCFXTLKSA-N 433.538 0.961 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830654921 HXCOLGCKSAANRN-FDDCHVKYSA-N 442.516 0.924 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831424929 ODSBHLQUGXHWNU-ZHRRBRCNSA-N 447.488 0.514 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831495857 OOOMBXKTQNNPKQ-WIYYLYMNSA-N 436.578 0.933 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831690468 JPMRHCWEBFYFPQ-XMMPIXPASA-N 441.528 0.657 30 20 ICED CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832314571 USYYCHBNCHTWGA-HSZRJFAPSA-N 436.549 0.957 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(C)noc1C)CCO2 1832551333 JRAQZTUOVTWROW-QJKPHDSHSA-N 446.504 0.149 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834740653 PISDRRVVYXKVOB-QGZVFWFLSA-N 426.583 0.540 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)CCC1 1836115918 SNNMBODVHIOWHM-HXUWFJFHSA-N 431.518 0.719 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)/C=C\C(=O)NC4CC4)CC3)CC2)c1 1836169569 VZDRVGDWHFBZAY-ARJAWSKDSA-N 438.532 0.906 30 20 ICED Cc1c[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1836543399 ZQPLYLDRPSYDHZ-YIPJSWNASA-N 434.493 0.922 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837243254 QAZLEGQENGRHAN-DFXYEROKSA-N 433.530 0.787 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837489090 ZGWNEUKMNOFTCU-QFIPXVFZSA-N 428.489 0.245 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531246 ZZXFEVKILIBHRP-QUWKVSOCSA-N 449.508 0.177 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817932 RXQKPFOMZQZKHX-YIPJSWNASA-N 448.476 0.386 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)cc1 1838953174 REKYRYJIPFMWAY-QHCPKHFHSA-N 436.468 0.972 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1839175084 OUOCNVXNFUMPDT-BDNZGDGKSA-N 447.488 0.962 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839227485 SAEXEWAZLGCYID-ZGYKXIANSA-N 437.541 0.715 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629980 CHRALXKBPJMFTE-PGRDOPGGSA-N 443.504 0.601 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077982 WVYLXWXYEOPYQI-DENIHFKCSA-N 442.553 0.725 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840161869 DERXITUFJOHVHE-BZNIZROVSA-N 436.456 0.827 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840167731 JDIXZSBZHKREKH-ZJSXRUAMSA-N 425.529 0.961 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840168922 YMXOBLHAYMPINB-XZOQPEGZSA-N 441.484 0.981 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1840442178 SZMRESSLQHDSLH-XXBNENTESA-N 444.532 0.599 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1840819636 XMEIHQQRRXFDJR-KNQAVFIVSA-N 429.473 0.572 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1841055603 GTDMBVQRYKGKNS-PLNGDYQASA-N 441.513 0.801 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C1CC1 12598164 UALAJGCQTUBUAF-QGZVFWFLSA-N 427.504 0.734 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 19420021 XYDZNAQEFLBEGP-NRFANRHFSA-N 444.444 0.167 30 20 ICED CN(C)CCN1C[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 303595170 WFZZBXZEKLGGHC-HNNXBMFYSA-N 426.477 0.865 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 428798506 UGMOZYWHHWEMJF-INIZCTEOSA-N 425.555 0.917 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 432573564 MOFNAVZMFNWJAG-UHFFFAOYSA-N 427.505 0.670 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)n2)cc1 434589889 YMNCLWWBILCSRY-LSDHHAIUSA-N 436.394 1.298 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)n2)c(F)c1 441742555 MGIWTOOYTWOYSP-RBUKOAKNSA-N 440.479 1.316 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)c1 442000800 QXXZKOOXQHWJRJ-INIZCTEOSA-N 433.424 0.458 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc1 444553321 QUVLCZGRFYTAJR-UHFFFAOYSA-N 430.486 0.782 30 20 ICED COC[C@H](CNS(=O)(=O)c1ccccc1C#N)NS(=O)(=O)c1ccccc1C#N 445749300 LSDJJINAJOFTAW-INIZCTEOSA-N 434.499 0.702 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 460614294 VGFDLDVJNUNGHH-QGZVFWFLSA-N 437.504 1.397 30 20 ICED Cn1c(CCC(=O)N2CCOC[C@@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 461629970 HNQPWEIMINOMIO-HNNXBMFYSA-N 447.517 0.278 30 20 ICED CC(=O)N1CCN(CCNc2ccc(C#N)c(NCCN3CCN(C(C)=O)CC3)n2)CC1 472361268 RHIKKAJHNNDISN-UHFFFAOYSA-N 442.568 0.105 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 476141905 HTLSLSWQBBRENW-UHFFFAOYSA-N 442.501 0.539 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 476760188 NXJRSJPMSNOEGL-ICSRJNTNSA-N 432.496 0.608 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)cc1 503276842 UZTONQGNUVQRNE-UHFFFAOYSA-N 446.533 0.499 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 504836139 XZAACPGZNHXJNJ-UHFFFAOYSA-N 445.549 0.551 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccccc2C#N)c1=O 505698956 FEKCBMXFPBWICR-MRXNPFEDSA-N 445.504 0.921 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 506713903 ZDHRMEHRRBQEBX-DZGCQCFKSA-N 448.480 0.656 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC[C@H]1Cc2ccccc2O1 506942289 GWJWYNWCVGLHOA-OAHLLOKOSA-N 440.485 0.815 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCO3)c1=O 515699744 XFGKUAXTZHZMRY-UHFFFAOYSA-N 441.509 0.847 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nc(C)no3)ccc2C)CC1 530682897 LWQFKOKKJJKLGV-UHFFFAOYSA-N 426.477 0.738 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O 532828521 LANCEIBITHDJJA-CQSZACIVSA-N 440.481 0.980 30 20 ICED C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1S(C)(=O)=O 537367429 DJNCLPUNEHSRFZ-LPHOPBHVSA-N 437.541 0.500 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 540000926 KSZWESWWDRFHNN-INIZCTEOSA-N 425.555 0.965 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 557445757 CYOAJFNXSLYXDC-TZIWHRDSSA-N 425.533 0.966 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 559924605 MQMSDLUZBSFLDM-UHFFFAOYSA-N 439.513 0.134 30 20 ICED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 561453875 WZDMVOXZDGULME-OAHLLOKOSA-N 442.476 0.292 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 564071370 UDFMESUGDLWMGU-SFHVURJKSA-N 432.488 0.987 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 571988350 AXYQCMXKUMXOSF-UHFFFAOYSA-N 428.426 0.946 30 20 ICED C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)c2ccccc21)n1cnc(C#N)n1 575091712 TXZVWPWVSHMTJV-ZIAGYGMSSA-N 430.432 0.815 30 20 ICED N#Cc1ccc(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 577913092 XZFVAJXMGZBTBP-UHFFFAOYSA-N 428.518 0.837 30 20 ICED CO[C@@H](C)c1noc(CN2CCCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)n1 578338850 AWTFFSKJOKNBDG-HNNXBMFYSA-N 426.477 0.999 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)nc1 587659647 VWDUQYYIJZYQLO-UHFFFAOYSA-N 432.484 0.914 30 20 ICED CCO[C@H](C)c1nc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 588124682 GJGILVLXQZLYFX-MRXNPFEDSA-N 448.593 0.989 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)C1=O 600284480 MLTWXVJRFBHXHN-UHFFFAOYSA-N 444.473 0.419 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 728532822 LEWGUDXUFPSOHM-UHFFFAOYSA-N 446.573 0.297 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)NCCOC)CC1 728534935 XXRBCAXZXZDJIW-UHFFFAOYSA-N 432.546 0.049 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 728589333 AZBNQNBKMPNIEV-UHFFFAOYSA-N 435.731 0.553 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739154765 DSJXAUSYGNRVOM-HNNXBMFYSA-N 435.440 0.588 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 743881807 YHHQEEQYVXPGCN-UHFFFAOYSA-N 440.479 0.895 30 20 ICED CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2O1 751988541 IBKJFENNSLQZCH-OTZFSBHDSA-N 435.458 0.358 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755185104 LEIRHNHJHLRDJM-OLZOCXBDSA-N 426.470 0.446 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 758078789 AAPGBAXEUPGYFK-UHFFFAOYSA-N 437.521 0.694 30 20 ICED CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 761068871 BTKORBIJRLFRGW-GTMGWDBPSA-N 438.506 0.896 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766052244 LYOABSKDSYJYIG-UHFFFAOYSA-N 429.414 0.389 30 20 ICED CN1CC[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 772514240 RIPQXLFVYCVFAE-ZDUSSCGKSA-N 427.417 0.476 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777946217 ZRWGJFRONVPAKW-UHFFFAOYSA-N 444.444 0.246 30 20 ICED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)n1 782135618 JAWPIOSNHPDNNI-UHFFFAOYSA-N 432.412 0.540 30 20 ICED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785282773 DETIJZKBWMJLLP-ZPYMSXFVSA-N 435.550 0.989 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(F)c1 802552305 RQONGGMYZUMGGI-UHFFFAOYSA-N 425.399 0.910 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3S2(=O)=O)CC1 804920726 SCVZHPPPLDMSLU-UHFFFAOYSA-N 426.292 0.371 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cnccc3C#N)CC2)cc1 805714867 IASWWANPQRNGRY-UHFFFAOYSA-N 444.469 0.652 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c1 806712496 XPFQWGYURUABHT-LJQANCHMSA-N 429.473 0.966 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOC1(C#N)CCOCC1 809084419 HHDSEFVUOQSUQD-UHFFFAOYSA-N 427.479 0.292 30 20 ICED CC[C@@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 810581872 YJPBGIFFMJHBQO-RRFJBIMHSA-N 427.523 0.988 30 20 ICED CN(C)c1ncc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1C 811629696 BQRQLHNLYXLLRJ-UHFFFAOYSA-N 437.482 0.861 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 918238743 NHJLZSUJHHZJBF-QJOMJCCJSA-N 449.533 0.567 30 20 ICED CNC(=O)COc1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 918353257 FJQZUUBTZIZVEX-UHFFFAOYSA-N 444.513 0.947 30 20 ICED CC1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1291181479 JEWHGTCPCCBQKO-DLBZAZTESA-N 439.586 0.739 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1318156582 KPDCBGXEYDDRBE-QRTARXTBSA-N 433.486 0.488 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCO[C@H](C#N)C1 1318328073 SUIZNGVZRZDMOE-FFYLZMLBSA-N 441.531 0.131 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1465804942 ZDUPLCWKDKLHBX-HUUCEWRRSA-N 432.481 0.830 30 20 ICED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1518710195 YPOHKKHCVPIJJC-KEYYUXOJSA-N 430.506 0.335 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)CCO1 1521137562 PNFXJRUWOUGSRY-KRWDZBQOSA-N 426.456 0.911 30 20 ICED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539593073 REWDVPGYTGSODS-UHFFFAOYSA-N 437.346 0.845 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1547730536 NGHHLEFMTDVSEY-FVJLSDCUSA-N 432.548 0.945 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1548175608 LZKWRCOEDMSNDK-RDJZCZTQSA-N 437.570 0.273 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1618690307 OGEYNOSPEHFJRI-DAESXHAQSA-N 426.477 0.308 30 20 ICED CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618843838 MFWMBRYDKQPOBY-AWEZNQCLSA-N 445.553 0.472 30 20 ICED CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)C1CC1 1620163600 DWJJPHHDFXIIKB-FQEVSTJZSA-N 431.518 0.982 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1639194435 QHRLOIKFJSKYJQ-QVKFZJNVSA-N 426.498 0.881 30 20 ICED N#CCc1ccnc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1673549635 POYRPERDUKOABA-UHFFFAOYSA-N 429.506 0.816 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1752313187 VWWHXAFLMIYIOX-FOIQADDNSA-N 431.518 0.982 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1766868119 ISFGCBDEVMEUHO-NRFANRHFSA-N 425.493 0.909 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1767772039 NDDRNLRJHKIRKH-UHFFFAOYSA-N 438.536 0.553 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767847353 JXEALVCBCYGLAW-GOSISDBHSA-N 440.533 0.543 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176870 MWAKYBHSZBRKBK-CKJXQJPGSA-N 431.493 0.016 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1780168478 HMHCJWGMLFOAGG-HSZRJFAPSA-N 442.516 0.733 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cnnn1 1781302228 LOJCZWSAEQONAX-JLTOFOAXSA-N 427.440 0.317 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCn5ccnn5)CCO4)C3)c2c1 1782198916 ZJROQAZLFCAZPA-NRFANRHFSA-N 434.460 0.560 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1783919547 KYORKAGGWLWPFI-ZVZYQTTQSA-N 428.876 0.547 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787961945 MADHUZSSGJEUQO-OWCBBSPXSA-N 432.546 0.789 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)nn3C)C[C@@H]21 1789890132 FTPXTSIFXUYXJE-ZOBUZTSGSA-N 434.493 0.531 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145698 SFRURHGYSFQLQD-WBKMXMRLSA-N 425.485 0.955 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)cc1 1792425637 QNNCBUCGGWWNPL-BBIADKPPSA-N 435.484 0.337 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793345564 WPFXCEWRGGWVLA-PDOICOKGSA-N 444.484 0.077 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1793571717 KAUZQYBGJKDTEI-OYGISIJKSA-N 432.477 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)cn1 1794457498 RMJMOCZACMENFG-RHNHGDFNSA-N 427.505 0.209 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1794949191 GFYJIHYBLKNVOY-SXDNJMQMSA-N 433.465 0.217 30 20 ICED COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1F 1795598540 ZXEYOXFOHYBESF-SCAQPMJSSA-N 433.484 0.714 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1796184682 XLVSLKMXYKFKLZ-BJWYYQGGSA-N 431.456 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N2CCCC2)ccn1 1796580601 JYLSNOHYJRIWCL-DCXXXQMHSA-N 426.517 0.923 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)ccc1F 1799327250 LELXCLVASLRFCP-FAQVEIGNSA-N 439.447 0.698 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCCCC3)cc1)C2 1800779757 VAQVSYHTGYISAH-OPMZPASUSA-N 425.485 0.968 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2)NC(=O)OC(C)(C)C 1801930371 BHBUTEXHVGAJNP-KCYAQADSSA-N 425.526 0.816 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803914099 XNXMZZDNBUSGRM-NRJQMVOHSA-N 438.484 0.441 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1804888500 OAGDCVCYJHVFQK-RXPVHBRLSA-N 438.488 0.699 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CN4CC(=O)NC4=O)CC3)C2)cc1 1804941839 PFVUSRROEQWEEW-UHFFFAOYSA-N 437.500 0.884 30 20 ICED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810356975 KVECQCSMXXORSF-BAZDFHSESA-N 431.493 0.753 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)cc1 1811888930 ALGVNLCTDVVCMN-XJUOHMSHSA-N 449.511 0.923 30 20 ICED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768349 ATLPCMWIGAMKRV-VIFPVBQESA-N 438.393 0.991 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1823089347 KAHCWKZWDKOMIQ-GHMZBOCLSA-N 439.494 0.399 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nc4ccc(F)cn4n3)sc2C1 1824394555 WIOTWRWLYSCYCJ-JTQLQIEISA-N 428.405 0.639 30 20 ICED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824960294 ILJMWRXIWGHHTF-IBGZPJMESA-N 427.611 0.812 30 20 ICED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)C1 1828811450 ZKTSYKVQOVDQNV-QHCPKHFHSA-N 439.516 0.914 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461737 ZAKMZVHELVVSFE-VGSWGCGISA-N 428.489 0.082 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462310 BMIPQAUTGMNBGM-JOCHJYFZSA-N 444.488 0.303 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830634375 MYWYLVWFNMDEMQ-OFNKIYASSA-N 445.516 0.800 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1831402996 VCZPSEQVXOZLEB-SBUREZEXSA-N 443.500 0.753 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831434678 FOENWDDEOVNPTL-QKKBWIMNSA-N 436.461 0.465 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1832458717 XDZOGWDBOQJQNI-FQEVSTJZSA-N 426.535 0.871 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1F 1833705353 FIYIGILBPHIKHX-WVYFQRGSSA-N 447.467 0.650 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nccn2C)CCO3)c1 1834397533 RSANVKKUSQRECU-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834740793 VQCSQQUEMBEOHM-LJQANCHMSA-N 438.569 0.604 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834760643 QBBBWJRVKFPMMM-FQEVSTJZSA-N 435.502 0.003 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834848512 QLUIMOHLVUUQMI-HSZRJFAPSA-N 443.500 0.900 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccc(F)cc1 1835359159 YGTJDGGDXPFPRS-UNMCSNQZSA-N 446.479 0.763 30 20 ICED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752352 BYSCWPRUHRANPA-UHFFFAOYSA-N 432.565 0.393 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836611576 PZBXJVIWPRZHLB-NGXITPROSA-N 437.512 0.974 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836882836 IPPOQNNALHSXSP-HXUWFJFHSA-N 445.626 0.226 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3cc(Cl)ccc13)CCO2 1837086661 GCCHXCLQOCRGPW-HXUWFJFHSA-N 446.847 0.374 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837442013 LWJHYZHBWUFHDX-IIHIVLJSSA-N 432.525 0.120 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443487 CGOAFURNXTUVDS-OGPLKVJOSA-N 436.553 0.488 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C1(O)CCC1 1837559868 BYYQPNHVHKOFIM-DXBMSLSTSA-N 433.505 0.706 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1838350551 XLHANBQSALGXOW-HXUWFJFHSA-N 426.433 0.069 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1838951525 UIHPLMANELPEEF-QFIPXVFZSA-N 442.472 0.471 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)CCO2 1839471908 RJZQHBNBRPJJSN-FQEVSTJZSA-N 433.417 0.315 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839845151 FPHGUSVNDLRGJC-ZWDAVXSWSA-N 447.536 0.126 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840196305 RIXPBLLFXQNEMK-KNQAVFIVSA-N 432.542 0.609 30 20 ICED O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314912 LJCHGWAEUPVGCW-LSHDLFTRSA-N 441.513 0.807 30 20 ICED N#CCCN(C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1cccc(Cl)c1 10207958 XMLWTHMMEJSQDN-UHFFFAOYSA-N 447.923 0.590 30 20 ICED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NC(=O)NC1CC1 10606137 JZQXMZNAFGSQHF-ZDUSSCGKSA-N 448.501 0.879 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 60635922 IYISWDUZCBVAIA-UHFFFAOYSA-N 445.457 0.030 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 409533290 DLVSGQGIFXKVGG-OAHLLOKOSA-N 425.536 0.591 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409551636 TWYGVNXBZICBGS-GOEBONIOSA-N 430.552 0.837 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)cc1 410207359 WTEGEFKCNUAXPW-UHFFFAOYSA-N 443.485 0.961 30 20 ICED Cc1nc(C#N)c(C#N)n1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 428908048 SPKQZDYAVDNIEB-UHFFFAOYSA-N 428.474 0.272 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 429301064 KJIASZZWCOWLET-DZDAQESYSA-N 427.461 0.498 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 430371416 PQSDTQQHHSIUAB-OXQOHEQNSA-N 438.532 0.954 30 20 ICED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 448521294 NWNUPTSWDDSKSZ-SFHVURJKSA-N 428.518 0.779 30 20 ICED N#CCC1(O)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 476825713 QNDWXCOYIUPDRC-ZDUSSCGKSA-N 448.423 0.105 30 20 ICED CCc1nsc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482408141 NZPKVAJVTNJHQP-CYBMUJFWSA-N 434.547 0.988 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 484213188 RWMKUMBERNYPER-INIZCTEOSA-N 438.444 0.487 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488665517 MIIPKRVFLYSKOQ-GOSISDBHSA-N 437.456 0.834 30 20 ICED C=CCc1cc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 497340580 SQBASMUGRBHMTJ-UHFFFAOYSA-N 441.488 0.886 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505665030 PZCQMXBGXSNSGI-CQSZACIVSA-N 444.513 0.014 30 20 ICED COCCOc1ccc(Br)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508324452 YSZNXNLVPUDEAC-UHFFFAOYSA-N 437.254 0.692 30 20 ICED C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508492621 WTORJKUKWFYJMW-LBPRGKRZSA-N 434.298 0.379 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513300985 KNJYTRACFLFDDQ-CYBMUJFWSA-N 448.480 0.750 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 527030418 JWEAIQXBQYDEMZ-ZDUSSCGKSA-N 429.473 0.341 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(CC(N)=O)CC1)CCCC2 532743261 QARUEQJVWJLPKS-MRXNPFEDSA-N 428.537 0.459 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)C1=O 535095074 JVOJRZQPHWBTLU-MSOLQXFVSA-N 433.553 0.759 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542072441 HFWWHSCOSBYACC-LBPRGKRZSA-N 430.852 0.387 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)n1 545902373 GBJMZFQSSDTKJB-UHFFFAOYSA-N 448.504 0.883 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1 550156920 RQWYHRKTJFABPW-UHFFFAOYSA-N 442.497 0.688 30 20 ICED N#C[C@]1(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCc2ccccc2C1 555341240 SUTOVWZZTKBSPB-FQEVSTJZSA-N 426.454 0.809 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)cc1 557872773 QIHZISPHEHSSST-KRWDZBQOSA-N 448.526 0.447 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 567308556 YBSYIXGKJOEGBQ-INIZCTEOSA-N 446.537 1.230 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)cc1S(=O)(=O)N[C@H]1CCOC1 574591238 JGRLKUHETDCFAC-HNNXBMFYSA-N 438.506 0.852 30 20 ICED CSc1nnc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 584862614 WPXHAHGQJUWHPW-ZDUSSCGKSA-N 430.515 0.665 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 610425290 ZAFAWGQIKIONFW-SFHVURJKSA-N 436.534 0.834 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726180398 IFOQBRABHFMGBT-UHFFFAOYSA-N 426.527 0.662 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577516 QTMHPCMIINNTRC-UHFFFAOYSA-N 428.520 0.694 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 732495344 XKBSOUFKJBVPHQ-CTNGQTDRSA-N 448.479 0.971 30 20 ICED COC[C@@H](C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733714723 JOIMQYSOELVGRI-CYBMUJFWSA-N 431.536 0.766 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741184161 WDFITBYRNKGXFD-UHFFFAOYSA-N 428.489 0.826 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 743909052 PLBSRVPUBLWYLX-OAHLLOKOSA-N 441.481 0.381 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)n3ncc(C#N)c3N)CC2)cc1 746888934 NCBOFZHTIFIIDZ-UHFFFAOYSA-N 430.490 0.599 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 758079677 PITHCLGDNSRYKR-UHFFFAOYSA-N 441.509 0.596 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758321620 CAMOEAQBCCFDBQ-UKRRQHHQSA-N 429.543 0.859 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 767625578 BKORRBYKOWZJRH-YOEHRIQHSA-N 443.481 0.888 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)C1 771466305 ZFAXTTVONCLQQJ-UHFFFAOYSA-N 434.474 0.721 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3c(Cl)cc(Cl)cc32)c(=O)n(C)c1=O 771897804 RTGHMYNIRKATNB-UHFFFAOYSA-N 433.273 0.856 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 772113399 NUOZYKSVRPMCAV-QFIPXVFZSA-N 426.473 0.763 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@@H]1CCCO1 773787789 BMHBXBWFUKBTFH-UXHICEINSA-N 441.532 0.132 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 783462606 RSTMQPKFHZMQAA-UHFFFAOYSA-N 444.469 0.741 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)NC1(C#N)CCC1 787594211 ZVDOVBHXLADWKZ-AWEZNQCLSA-N 448.501 0.586 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 788278179 DOXOBRBDGRYGPB-LJQANCHMSA-N 438.506 0.230 30 20 ICED C#CCn1ccc(CN(CC)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 788913117 GSFNONCJLJWUTL-UHFFFAOYSA-N 434.478 0.935 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3nn(C)cc3C#N)ccc2F)CC1 800904818 LYQRUBOMNWJHIJ-UHFFFAOYSA-N 434.453 0.536 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)n1 804674184 OECWWKUTZBJPQU-SFHVURJKSA-N 426.473 0.620 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@H]1CCCO1 809308854 KNMHUNDRTLRLJV-NHCUHLMSSA-N 441.528 0.986 30 20 ICED C[C@H](OCc1ccccc1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 811645470 NMPNQAXOSVNIPF-NSHDSACASA-N 448.423 0.886 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 815861656 SQMCSEYCXGXLFR-UHFFFAOYSA-N 436.534 0.490 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 815882986 RWMKNHHLPCPKER-UHFFFAOYSA-N 428.461 0.781 30 20 ICED C[C@@H](CC(=O)N1CCC(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 817039654 HSJHLEJKBFATGE-ZDUSSCGKSA-N 427.548 0.787 30 20 ICED N#C[C@@H]1C(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)=CC(=O)n2c1nc1ccccc12 915215681 FAOBHIFTBWNVHV-QGZVFWFLSA-N 448.483 0.227 30 20 ICED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916871066 PDBVFGCZJXURDG-GOSISDBHSA-N 437.518 0.961 30 20 ICED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)n(C)c2n(C)c1=O 920607060 YKGYMSLHFDGAGP-UHFFFAOYSA-N 429.820 0.896 30 20 ICED Cc1nnc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1C 1300162674 LBPLRKZJPDVMKA-CYBMUJFWSA-N 431.522 0.289 30 20 ICED CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318475580 DKIUGRVTONVVCA-QGZVFWFLSA-N 426.477 0.044 30 20 ICED C=C[C@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1321256160 FBMDJXCHMSTQCG-OAHLLOKOSA-N 436.534 0.844 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1323953231 QKPFUZKASRESOC-HUUCEWRRSA-N 428.474 0.422 30 20 ICED CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359492500 OHBGOJVRNXXYEF-QGZVFWFLSA-N 442.568 0.853 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1360240986 XEIAVMLVZRQXGG-SFHVURJKSA-N 444.584 0.704 30 20 ICED C[C@H](C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)n1cnc(C#N)n1 1454162695 QJDJPBBIUUHVRK-GOSISDBHSA-N 436.520 0.793 30 20 ICED CC(C)(C)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1470624131 NVFZIRIRHIGFOF-KRWDZBQOSA-N 433.534 0.974 30 20 ICED CCOC(=O)CC1(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1474815259 QTCDLTREHDEZGS-UHFFFAOYSA-N 441.531 0.680 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555985734 VMAXQYYWRKRZSD-RBUKOAKNSA-N 437.472 1.000 30 20 ICED COc1cc2c(cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1)C(=O)NCCC2 1654016534 VECSNXGHKMCGSO-UHFFFAOYSA-N 436.534 0.608 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690346243 OGCQLZYERMONFX-OLZOCXBDSA-N 432.934 0.030 30 20 ICED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1731009710 XWBHAFASJPRXTB-UHFFFAOYSA-N 439.519 0.008 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1742834915 WRNNPMXZBROBKM-QGZVFWFLSA-N 430.538 0.604 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCC1CC1 1744092221 ZHJDAZBKINQKQA-GOSISDBHSA-N 442.568 0.899 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750387716 ZHNOGESQWVDYDN-ZNMIVQPWSA-N 430.431 0.774 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 1771535563 QUNWYSIRNLKFMO-MRXNPFEDSA-N 436.538 0.169 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1778885799 MKVVHHHMUZGAGH-NZQKXSOJSA-N 432.565 0.749 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1779065283 YLJYKTKFQNXHHY-OAQYLSRUSA-N 432.546 0.918 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C1)CCC2 1779106914 NAJVAMFHTPILOL-RORQMLAVSA-N 445.520 0.881 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780029809 JOKNNRMGNUMNKV-IIHIVLJSSA-N 429.477 0.726 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c1 1780173886 JAZNPTVFVOONSS-HXUWFJFHSA-N 440.416 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC34CCCN3CCC4)C[C@@H]21 1783531496 SKDHIGNETFDNKM-YJTGKBQXSA-N 444.576 0.843 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1783766742 OOKCXLLOBAEIFW-IERDGZPVSA-N 448.524 0.577 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1783896121 XZQCELULLLGVCU-FZKQIMNGSA-N 427.548 0.388 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784370475 GPKYZHVHVBYLPC-XLIONFOSSA-N 435.550 0.206 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)cc1 1786721323 RMZDUZRAPQGPAY-ACRUOGEOSA-N 426.517 0.413 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)C1 1786857244 DEGRGJLUDYCAQD-VMXHOPILSA-N 448.564 0.837 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601650 QNLHSJXLKQXYOX-LVPXVQOHSA-N 446.552 0.595 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789259585 YQPPZACTGUQDIL-WBAXXEDZSA-N 430.461 0.516 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1790145169 MHMQNWNFKPDHHN-LWYYNNOASA-N 445.541 0.923 30 20 ICED CC(=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 1790867660 ADHOEZZWKITLBO-SJVNDZIOSA-N 430.480 0.744 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1790873091 AWKWJZIZVNCZSA-IEZWGBDMSA-N 438.488 0.554 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1790877691 LOMHXIAMIRKILX-OBJOEFQTSA-N 436.419 0.222 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1793263295 UKDKYVMGLNSJDV-FEJSZKPUSA-N 433.464 0.733 30 20 ICED C#CCO[C@H](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 1793340050 HZWYFTHPYFYJTH-RKGSWTEASA-N 434.533 0.984 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1794006140 YZTZRXPEYRNCBG-XEMDLRDOSA-N 438.444 0.761 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2nc[nH]c12 1796236137 ZHOJZLJPYDBWGE-MIFYACCESA-N 425.493 0.443 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1797839665 SLTNFFQQZGCPLH-IITUFWFWSA-N 427.461 0.581 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883261 FPAALNPJVNSQEP-HGKCTWBKSA-N 449.515 0.920 30 20 ICED C[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 1800907059 WGSIDGYCRJUALB-SBJFKYEJSA-N 445.582 0.559 30 20 ICED COC(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)Cc1ccccc1 1801992992 CCOLCQHXMOGVEI-BCDXTJNWSA-N 427.457 0.981 30 20 ICED C#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 1802124392 ABYVWMRHSRGHOI-AJYBTWMASA-N 429.517 0.906 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807708012 QTRIQCMVXGTGKC-CGBFIWBNSA-N 430.505 0.320 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810290389 ITMBFEJMEYZBTF-GBGMXLPASA-N 449.577 0.994 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810398138 FDAOGVXNOXLZDD-CNWAHWARSA-N 425.489 0.522 30 20 ICED CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1812621600 UBGZZABPTHXDNY-DENIHFKCSA-N 426.517 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCNC(C)=O)[C@@H]1c1cccnc1 1812654721 MBRYDOUFTDNVQH-WVUNDPPESA-N 427.505 0.472 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)N3CCOCC3)n[nH]2)c1 1819447204 PBSKLSCEDOFWHY-JXFKEZNVSA-N 427.465 0.566 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(F)cn3n2)n[nH]1 1821598114 OOLJIXXPBWGUNA-ZDUSSCGKSA-N 425.380 0.985 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828957211 IWUKDSDZGKQCOQ-MSOLQXFVSA-N 436.461 0.189 30 20 ICED C[C@@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829341239 ZKOMQLCPUWQESC-JLTOFOAXSA-N 437.518 0.068 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)C1 1829670785 KFEFOXMUPHGCER-JOCHJYFZSA-N 425.489 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1829769486 VPYFSUNBTJWDDJ-QEVIJRNUSA-N 432.452 0.149 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1831392765 OFQBWODQPVRTSL-DMPWYTOCSA-N 430.505 0.568 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831402793 RMOGRGIEFKHRSK-ZHRRBRCNSA-N 434.464 0.426 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831414116 RHXDYIJBIDIAAY-MBSDFSHPSA-N 446.548 0.954 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831485994 QESQQOZJQQOVSF-TZIWHRDSSA-N 442.626 0.035 30 20 ICED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1834526328 HDGGVCWLNCVATO-OXXSMZSFSA-N 449.552 0.366 30 20 ICED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834621518 PFTSMHALUQIBLY-HKOYGPOVSA-N 448.612 0.362 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)[C@@H](C)CC)CC2)CC1 1834681121 CQMBLTHALKFUOF-WJBDPIGGSA-N 433.597 0.790 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717157 PFNKXFALEJXSMO-MRXNPFEDSA-N 434.585 0.364 30 20 ICED COc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc(OC)c1OC 1834755718 JUAHLPVLZGKZFU-QFIPXVFZSA-N 447.488 0.625 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834755825 DLAVLMRYEDMMHU-JLHGSKIFSA-N 448.520 0.826 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1834766913 DPFRMJMGWNTIQP-XIKOKIGWSA-N 441.410 0.513 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1ccccc1=O 1835100122 AXTWNTGBHHZBLU-CPJSRVTESA-N 449.507 0.917 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1835731906 QTDNSPHITUEWHM-HKOYGPOVSA-N 442.564 0.977 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158916 ZCDGJKKDFJFJDT-JOCHJYFZSA-N 431.489 0.590 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837195972 FDZCINRCNYBACL-AVRDEDQJSA-N 443.504 0.601 30 20 ICED CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837262904 SWCQTSXCVCCHPV-YAVOEMAOSA-N 425.482 0.522 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837396870 NWFRWSAUHHPDAZ-XMSQKQJNSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837403411 MGEDPNVJZDKXMT-GCJKJVERSA-N 443.504 0.601 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565548 VWZXOOKHUWLNCU-PHZJZFOFSA-N 432.477 0.195 30 20 ICED COCCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838140212 SUEAMWPTFVWEBB-UHFFFAOYSA-N 432.477 0.230 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)c1 1838739565 ZGQNMUXBJLKRMS-JOCHJYFZSA-N 437.456 0.369 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741856 FEMIARLKXGNAOY-IIBYNOLFSA-N 426.477 0.489 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838749695 BSJHQFGQJFPQRR-GOSISDBHSA-N 425.570 0.484 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c(C#N)c1 1839131444 YOQYHWMBDFOQFI-QHCPKHFHSA-N 443.500 0.602 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839222217 HGVCHGTUKNRKPO-GCJKJVERSA-N 438.569 0.976 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)c1F 1839224221 PCJHFXBLLGCJGO-VBKZILBWSA-N 439.488 0.982 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)c1 1839419997 HNLDZSPMDBQDBF-IBGZPJMESA-N 431.449 0.933 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c(Cl)c1 1839424285 YMXVFMMOQPRTEJ-LJQANCHMSA-N 431.836 0.978 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc2c[nH]nc12 1839511929 BAOCLQIBUOBECW-OAQYLSRUSA-N 426.429 0.029 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(C)=O)CCO3)C2)c(O)n1 1839857713 JZXPHOSFPVARNA-QFIPXVFZSA-N 446.504 0.112 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840168186 CLKLGQQJNXGJHV-HSZRJFAPSA-N 444.532 0.547 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1840845196 NGGODQAQEHEZLE-WZONZLPQSA-N 447.532 0.773 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c(O)n1 1842296063 CTGGRZCGNJPZRO-HNNXBMFYSA-N 427.461 0.321 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 15026230 ABIGWKRMWOOQEI-UHFFFAOYSA-N 430.486 0.320 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(C#N)cc2)c1 19355187 HEOLVJZQSYUDRT-UHFFFAOYSA-N 429.454 0.964 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 434010274 GAKALJBYZIGVPA-MRXNPFEDSA-N 427.548 0.791 30 20 ICED C=CCC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 435732588 PWDDFWJNBDPGSZ-GOSISDBHSA-N 425.489 1.504 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 438717560 BEMQWKSLFTUVQE-INIZCTEOSA-N 436.859 1.549 30 20 ICED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 441656914 PNBCPIBAZKJFQJ-UHFFFAOYSA-N 425.449 0.173 30 20 ICED Cn1cc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@H]2CO)cn1 444752029 SEWQSRNFZYCWPQ-FHWLQOOXSA-N 428.562 0.898 30 20 ICED CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447365976 IHKBHYMMXNRRKA-ZDUSSCGKSA-N 433.465 1.247 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 465423556 RMJSWRVKENZHOC-UHFFFAOYSA-N 443.547 0.467 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470843187 CYSSGWRNKVDHBW-UHFFFAOYSA-N 433.534 0.785 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4ccc(S(N)(=O)=O)cc43)CC2)o1 471168017 GJHHGFZEKGETOM-UHFFFAOYSA-N 444.517 0.604 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)c1C#N 471701660 QMJZEYHCBQIYAF-SPLOXXLWSA-N 427.509 0.750 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 473874415 HEFPECXLMGBASN-FSAOVCISSA-N 432.480 0.973 30 20 ICED N#CCC1(O)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 476827799 UEEYHVJEJGTIMJ-HZMBPMFUSA-N 434.301 0.604 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 477792331 FOCJUWLXATWRII-INIZCTEOSA-N 430.548 0.817 30 20 ICED COc1ccc(OCCCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 480459387 COYUPOUQSLUEOL-UHFFFAOYSA-N 440.504 0.843 30 20 ICED C=CCn1c(SCC(=O)c2c(O)nc(=O)n(CCOC)c2N)nnc1-c1cnccn1 488915488 VXEYDNSMVIXVFF-UHFFFAOYSA-N 444.477 0.387 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 500009016 BXHAKOHIKWQSPE-SFHVURJKSA-N 436.534 0.365 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505667144 YYLFCCRUOPHWBB-UHFFFAOYSA-N 443.573 0.940 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)nc1 505690611 UCBBBRZZFKCUNR-UHFFFAOYSA-N 436.497 0.150 30 20 ICED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 514761444 RPGLVKYJSYUYKC-MRXNPFEDSA-N 428.518 0.981 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 524274829 AQIPDRWSSAVMND-UHFFFAOYSA-N 426.454 0.161 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CC(N)=O 532017045 ILQCCWJFVVJOSA-UHFFFAOYSA-N 445.504 0.239 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1=O 552163607 IZJYDQSPUPVITP-RBUKOAKNSA-N 442.516 0.457 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)n1 559845442 NQDXDUIBNALLEW-UHFFFAOYSA-N 436.881 1.567 30 20 ICED C[C@H](O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C 561788300 OURFIDYKCJQJLA-BQFCYCMXSA-N 431.512 0.696 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)cc1 573269482 KEYPWTBIUUQXBD-DLBZAZTESA-N 434.518 0.701 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 573431686 SVVDKJIGOOQSTJ-UHFFFAOYSA-N 434.500 0.755 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 579875271 HKMSQKQQZBMVJA-XLIONFOSSA-N 441.532 0.392 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2=O)cc1 588866455 YVHDTRCNOOMUEI-GBESFXJTSA-N 426.473 0.576 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C1CC1 604434330 QBBKLLDJVKQUMG-UHFFFAOYSA-N 428.426 0.173 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 725897328 RKOUQGBQRAHTPV-MOPGFXCFSA-N 432.546 0.938 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccnn3C)c2=O)c1 726580648 AGFOKHODHMBVEF-UHFFFAOYSA-N 447.520 0.270 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 726620547 XAPPFAJJMCPZJB-INIZCTEOSA-N 435.506 0.805 30 20 ICED C#Cc1cccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2CC(=O)NC)c1 741448783 FYTMZDJXMIUBSZ-QGZVFWFLSA-N 429.546 0.803 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 742734205 UNLHMWOABAIEKM-UHFFFAOYSA-N 426.433 0.199 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1cc(S(N)(=O)=O)cn1 748425729 FBVYHUUTFVPMTK-ZDUSSCGKSA-N 435.462 0.418 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 754436170 BYSFFRWYEUHXGH-QGZVFWFLSA-N 425.470 0.273 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2CCS(=O)(=O)CC2)C1=O 755564182 YLHNAJZKWJGXNF-UFIXSJTLSA-N 438.575 0.885 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758049924 NVAATPWADDMAQE-UHFFFAOYSA-N 434.433 0.864 30 20 ICED N#CCOc1cccc(CC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 760624782 FBVGBOISKRSACF-KRWDZBQOSA-N 435.502 0.006 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763460272 FTNJYCJKRMJSMO-UHFFFAOYSA-N 443.573 0.171 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 766978225 WZNJXGZGDWIUSH-UHFFFAOYSA-N 431.474 0.941 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1)c1cc[nH]n1 772489913 ZNVVKBKTSXRUJI-UHFFFAOYSA-N 449.489 0.502 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)CC1 778598353 AVNPZXCJXWXFIN-UHFFFAOYSA-N 440.500 0.539 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CCOC 779849192 BRPOGLLEMFNQFF-UHFFFAOYSA-N 435.933 0.784 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 783542729 WCABBAMQIQYIBG-UHFFFAOYSA-N 432.520 0.047 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788318637 GKJCNBQBUGQQNK-UHFFFAOYSA-N 425.493 0.408 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)nc1 788334571 WXCJPIXKKVFPPK-UHFFFAOYSA-N 434.500 0.755 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C#N)s2)c1=O 794582186 TVUUXZMILHLIFQ-CYBMUJFWSA-N 429.523 0.988 30 20 ICED C#CCC[C@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 799078808 LHWLAVBQPMLKAU-IBGZPJMESA-N 449.573 0.807 30 20 ICED C[C@@H](CC(=O)OCc1nnn(CC(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 799493651 KLIHYGICSFNOAD-VIFPVBQESA-N 432.384 0.796 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cc(C(=O)OC)nn1 803644790 SVBQYRXJAJCBPY-AWEZNQCLSA-N 448.505 0.478 30 20 ICED C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 805062779 PSNFAWDYPGNKQO-GDBMZVCRSA-N 437.541 0.967 30 20 ICED C=CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 916522597 FTERTVAXKRQSMN-OAHLLOKOSA-N 437.518 0.915 30 20 ICED CN(CCS(=O)(=O)NCCNc1ncccc1C#N)S(=O)(=O)c1ccc(F)cc1 917897076 RLHDJDDERYFQLW-UHFFFAOYSA-N 441.510 0.744 30 20 ICED COc1ccc(C[C@](C)(CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1154291059 ILVPKYSDHBXZAO-OAQYLSRUSA-N 447.513 0.852 30 20 ICED CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309044911 UZMOGULBSSAYLH-UHFFFAOYSA-N 433.303 0.902 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 1323780674 AODGOEGVKVMGSD-INIZCTEOSA-N 439.559 0.900 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN(C(N)=O)C3)CC2)cc1 1327051574 LBHLTVLOCXJMPW-INIZCTEOSA-N 433.534 0.866 30 20 ICED N#Cc1ccc(F)c(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1466788487 IXRGOYHSEDEIAY-ZDUSSCGKSA-N 430.483 0.364 30 20 ICED CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503556361 UYCZEVMAZABHCN-OXQOHEQNSA-N 431.518 0.839 30 20 ICED CC(C)Oc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1509816944 PBAZOAOAYRDHSY-ZBFHGGJFSA-N 449.537 0.848 30 20 ICED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1554467814 FUDLLOCUZZAACS-OAQYLSRUSA-N 428.493 0.843 30 20 ICED C[C@H](CC(=O)NCCS(=O)(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1598081739 WZVNWWPOEWATFB-CYBMUJFWSA-N 428.536 0.046 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1635116926 POSDWQRWWARCTI-LBPRGKRZSA-N 431.474 0.529 30 20 ICED N#Cc1cn(CCNC(=O)c2cn(-c3ccccc3Br)nn2)c(=O)nc1O 1641968265 XYCIYCUIWPSLLX-UHFFFAOYSA-N 430.222 0.594 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1696964239 XKCJVUJGAGLKSJ-LPHOPBHVSA-N 439.520 0.489 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N2CCOCC2)CC1 1722863816 MSVPWLSURQYJIW-GJZGRUSLSA-N 425.559 0.349 30 20 ICED COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1730728856 KHSRORDCBCRFQZ-QAPCUYQASA-N 427.575 0.597 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1741924021 SHAUWVIKJOFMBM-KBXCAEBGSA-N 443.549 0.441 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1760667291 VKJMTTUEVKBMKY-GOSISDBHSA-N 446.533 0.593 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766749739 GKEJKUBUSDFUGO-YXERLDLWSA-N 444.565 0.927 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779101942 VJZZIFUANQGBJI-CFFCXZSUSA-N 434.449 0.058 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1779125019 VZJPDFTYNZMJNK-HSZRJFAPSA-N 436.468 0.594 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779534859 WUCAOINZXYZXKT-YCRNBWNJSA-N 445.560 0.890 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(O)n1 1781042435 AEJXRWKUOAKTAE-SGXKBVARSA-N 430.505 0.072 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781350957 HRSQMIFFXQZQQH-VFNWGFHPSA-N 436.509 0.396 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1781693693 ZUKYFAROJSLULT-PMECCGAFSA-N 449.548 0.751 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@@]3(CN(C(=O)CC#N)CCO3)C1)C2 1782852120 TYUQDWXMJULTRN-YCRPNKLZSA-N 429.477 0.366 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782955226 YSHCAMWCIWQQGV-RXVVDRJESA-N 431.514 0.508 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c[nH]c1C 1783557404 GYCGNZHYOZDZBH-QFIPXVFZSA-N 445.472 0.350 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1785574461 KSOCIOKLAQTPEZ-VGOFRKELSA-N 436.553 0.733 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n[nH]4)[C@H]3C2)ccc1F 1786940683 LDONGAIJCUUMCI-YEWWUXTCSA-N 427.436 0.962 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788570655 GESSNNCOUBGRKU-XLAORIBOSA-N 425.595 0.588 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)cc1 1792426194 MYTWWQGVYOMBRQ-FEJSZKPUSA-N 436.468 0.005 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(OC)cc1F 1794449683 IELCHQSWOLVFMK-PXAQZEHQSA-N 432.452 0.291 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)c1ccc(O)cc1 1795465188 SZHNSYWWIVGMIU-UGNRZPKXSA-N 427.501 0.567 30 20 ICED 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]1C=CCN1 1796316581 PAEYOVJVMBJRLO-XHVNAKISSA-N 446.548 0.573 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796370577 CZWSUFBFUNPIAX-PLACYPQZSA-N 439.560 0.572 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)c1 1797889032 NBROGPZKNMRMRH-XEMDLRDOSA-N 449.467 0.804 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798519193 NORFVEDQFXGAAL-NIWVWWPQSA-N 433.461 0.832 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1803544483 WKUGJTCZIMSQOA-SYYKKAFVSA-N 428.533 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)n3)CC2)C1 1804853876 VIMBSDWLHLDDCD-PLNGDYQASA-N 429.477 0.591 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807048683 QYIVGXJXQSCAMI-LSTDLKDCSA-N 431.537 0.253 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CC1)CC2 1820019979 KGBNLZPDEPZAFF-NWDGAFQWSA-N 439.501 0.967 30 20 ICED CN1CCCn2nc(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cc2C1 1825671888 UAYLPEKMRQLXID-GFCCVEGCSA-N 442.501 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826873029 MIRZECNCRKMQTC-MJRGOJFPSA-N 430.553 0.304 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1829266250 RLAOWVWLBMERGF-HTAPYJJXSA-N 426.473 0.206 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829355769 AGXRSVJPKKFNPU-AVRDEDQJSA-N 429.521 0.301 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830756240 BYHUBDFJXZQZSL-HYBUGGRVSA-N 447.576 0.626 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831392208 BZQYHLXFOXBOHN-VFNWGFHPSA-N 435.452 0.338 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1831397257 WOJTZBDZJXNBMD-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)CC1 1831933516 DITTXMQZMNWKJZ-RJCMGOLDSA-N 430.549 0.991 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)CC1 1832249199 PIJHPZUBGMROHN-HNNXBMFYSA-N 437.346 0.102 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833184889 KBGXIKMSVPHZHE-HSZRJFAPSA-N 443.548 0.752 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)c(O)n1 1833700166 PWJNMLDLNQNCSF-ZHRRBRCNSA-N 446.504 0.110 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2)c1ccc(O)cc1 1834723503 UWQYHBACEMHTPL-WMZHIEFXSA-N 428.485 0.935 30 20 ICED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834759987 CNOPPIMYBSTTQI-MRXNPFEDSA-N 426.271 0.166 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1835102461 SYRNAWBJEIUGAH-XMMPIXPASA-N 435.480 0.838 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1835674303 ILJMCVYJIPTYFN-QFIPXVFZSA-N 431.537 0.686 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)n1cncn1 1835732562 KIFLGJKSMVLRCO-LSPPGFKNSA-N 444.584 0.882 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cccnn4n3)CC2)CC1 1836077773 JUSXIDBJURIIJT-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1837303280 OSMIYKWRIIOZDG-WAOWUJCRSA-N 442.578 0.892 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316040 UISSNDXXWXRCOH-CZUORRHYSA-N 442.456 0.503 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837318812 BTHDNDUBTZFFSS-KRWDZBQOSA-N 444.366 0.062 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487188 ZQANHUCNSRLPKU-WMZHIEFXSA-N 434.533 0.733 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837639420 HAHOXNNMCNDZAQ-RXVVDRJESA-N 435.525 0.353 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837655282 BMODZVOXMOVKGA-FZKQIMNGSA-N 429.926 0.889 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949578 JPZHPBKRCMXJER-IIBYNOLFSA-N 449.529 0.309 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839175071 OAUCCIXOPKXIQR-VGSWGCGISA-N 438.521 0.525 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1839175736 BEOCWZKUPYZAGS-PGRDOPGGSA-N 438.521 0.769 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n(C)n1 1839223380 UDSTYCDVVJSGMH-QRWLVFNGSA-N 437.497 0.300 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839228855 QYAMKHOMHAJHSS-KSFYIVLOSA-N 446.504 0.656 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362460 UZPAMNICRPBQDF-JOCHJYFZSA-N 431.489 0.486 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])CCO2 1839462569 XIIWDEWJXGADFQ-HXUWFJFHSA-N 431.401 0.085 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622764 SXFXNLJDEQFPIZ-HSZRJFAPSA-N 443.548 0.592 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1839886962 RRTUMTOOQNCRNL-YOEHRIQHSA-N 438.493 0.335 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1840162473 YHDSAHYRUPHLJO-ZUOKHONESA-N 434.518 0.960 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956772 PUFSPFXYMWMYBT-LIRRHRJNSA-N 443.566 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1841052975 LHJAMCPHZTXVBV-IXIPZQGVSA-N 436.512 0.921 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c(O)n1 1844595251 KULRIPGPBXYOTE-UHFFFAOYSA-N 436.472 0.926 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@H](O)C1 1846195999 YYOGFRSZJCHYQH-VFNWGFHPSA-N 449.504 0.286 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1847080803 CZQCQCBENFPABO-ZCCHDVMBSA-N 449.552 0.252 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCNC3=O)nnc12 9549416 OAUQPEDFIHZAOE-UHFFFAOYSA-N 442.457 0.417 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 15515916 BRAZNZFYRNVEAD-UHFFFAOYSA-N 426.495 0.022 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)c2ccc(OC)cc2)c1 16557849 NUQAKBPIXKAQRZ-UHFFFAOYSA-N 430.438 0.720 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CC1 108100756 IFXTYHVWAVTACB-UHFFFAOYSA-N 434.566 0.043 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 108508521 HGYBQFVGRIETGQ-HXUWFJFHSA-N 449.577 0.598 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 409519481 GRWCSTGPTYLCHV-CQSZACIVSA-N 445.523 0.627 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1 426806826 LEMUVGVRVQNLTA-UHFFFAOYSA-N 427.446 0.740 30 20 ICED Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 431460689 XZPAMNWXFJFBCV-UULLZXFKSA-N 435.531 0.558 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441943524 TZUQSURKOIRSDY-QGZVFWFLSA-N 425.510 0.308 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2Cl)c1=O 447271351 NMUKVCHKBISDQQ-UHFFFAOYSA-N 438.962 0.113 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 467558769 CMAMOUGEOGAESF-AWEZNQCLSA-N 443.525 0.898 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1CC 467559888 LYVGFNAUOZFHIA-AWEZNQCLSA-N 441.509 0.675 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@@H]1CCOC1 477185870 JGLMBIRMTHRSFE-HNNXBMFYSA-N 445.516 0.660 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccon1 480953949 PUUXXNCCJKGDOB-UHFFFAOYSA-N 428.495 0.618 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)Cc2ccccc2)CC1 489646541 HOMFUWLHEYRIQG-UHFFFAOYSA-N 442.541 0.886 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 490345074 BNABJRLBABBCLU-SFHVURJKSA-N 444.532 0.972 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 507278416 LNQVPYKUCBCGEP-VQTJNVASSA-N 446.573 0.875 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 517135466 ZWZFHVYIYAXEKY-UHFFFAOYSA-N 429.502 0.886 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 517429161 ZISMQQQDHRDBDI-UHFFFAOYSA-N 438.506 0.873 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccc(Br)cc2)C1=O 522249342 LLYWNDAMUPOMSX-UHFFFAOYSA-N 437.250 0.272 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)N3CCOCC3)nnc12 537376476 ZDWQGMJTTOEPSJ-UHFFFAOYSA-N 442.501 0.297 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 555244174 CPSUFMCGXYRQPI-GOSISDBHSA-N 447.584 0.753 30 20 ICED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 582134641 MVEBGLQPLGYRCY-UHFFFAOYSA-N 445.472 0.953 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 583530063 LJBFGWGSFFIUMA-OAHLLOKOSA-N 435.475 0.106 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 603785084 VIGGQWLVONBIJO-UHFFFAOYSA-N 427.529 0.759 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828022 CIMURUSULHBDTD-UHFFFAOYSA-N 448.479 0.942 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCO1 609282846 YIFYBAOUGBADGT-ZDUSSCGKSA-N 426.882 0.814 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 619835438 RZXOXVGYZYJILX-UHFFFAOYSA-N 429.458 0.880 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn(C)c3)c2=O)cn1 726180428 JOTXJAXVJJYTRR-UHFFFAOYSA-N 449.496 0.261 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)CC1 728530423 DMLRQIXLJSYSFF-KRWDZBQOSA-N 443.573 0.692 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 728608691 PPJZWJHDERXEDS-UHFFFAOYSA-N 427.324 0.134 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCNC(C)=O)cn1 730723808 MOYKOKJTHZGOCK-CQSZACIVSA-N 430.494 0.789 30 20 ICED CN(CCn1cccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732485283 BSZCVOUUOLOOSP-OQKWZONESA-N 432.506 0.793 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 732797496 PZXYJKVZEODTTE-UHFFFAOYSA-N 436.497 0.024 30 20 ICED COC(=O)Cc1nc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 736110747 FAOJZWXTQPACPR-LBPRGKRZSA-N 434.478 0.612 30 20 ICED C[C@@H](CC(=O)OCCCn1cnc2c(N)ncnc21)/N=C1/NS(=O)(=O)c2ccccc21 745497840 UJXGXUUAYZXDRN-LBPRGKRZSA-N 443.489 0.859 30 20 ICED CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1[N+](=O)[O-] 749274168 AOUBPHDGVOEVDQ-UHFFFAOYSA-N 444.491 0.899 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 751644781 MNJYDEBUEOHZEV-MCIONIFRSA-N 437.499 0.304 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)c[nH]1 753361060 YBVLUAFJCTXRBQ-UHFFFAOYSA-N 430.530 0.956 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758069718 RNOXFFUPOZBZFE-UHFFFAOYSA-N 425.510 0.898 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)n(C)n1 758547082 VAQYBICZLUFDNR-QLFBSQMISA-N 431.497 0.892 30 20 ICED CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 761068869 BTKORBIJRLFRGW-GHOZOMOVSA-N 438.506 0.896 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 766370773 ZUDJWNKYPJMRRS-LQFHHUIYSA-N 437.522 0.556 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCn1c(=O)nc(O)c2ccccc21 766985951 LAEYPWPGOQDTNG-UHFFFAOYSA-N 428.426 0.878 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)ccc1F 775504541 OUESZCXMMOMWKL-CQSZACIVSA-N 427.498 0.999 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 777945783 AMADFYBKLMUQEK-SNVBAGLBSA-N 432.433 0.561 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@@H]1CCS(=O)(=O)C1 783480661 LFLAGXJQWZXQAI-MRXNPFEDSA-N 427.486 0.937 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)NC3(C#N)CCC3)CC2)c1 784214331 VVJFAJUNSAWZDX-UHFFFAOYSA-N 434.518 0.553 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)cc1 799846020 FGOGWGJHWUUBNF-OTECNADQSA-N 440.547 0.465 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800903875 LPLKIEDASNRGQH-GJZGRUSLSA-N 431.559 0.818 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 802564794 ISTZMOZJXAWTPI-AWEZNQCLSA-N 441.456 0.538 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4)cc3)CC2)c1C#N 803351496 QFEMRLWTHGJRIO-UHFFFAOYSA-N 432.488 0.751 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806124906 WHNGGGXAHPJCRI-CYBMUJFWSA-N 442.437 0.577 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1 820174220 HRWMXYORTIGTAJ-GOSISDBHSA-N 446.485 0.843 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 895786319 RXJKSULKBUMZTB-KGLIPLIRSA-N 442.494 0.636 30 20 ICED CNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 917524623 BPFXKQYWYIHKCX-MRXNPFEDSA-N 435.550 0.030 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 917688883 XMNJNIPOGLUYRK-YGMPWRRSSA-N 428.536 0.862 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 919250904 AMLLAMMVYJQPRQ-UHFFFAOYSA-N 432.525 0.122 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919665367 ULNUAUUFIAEDCK-GDBMZVCRSA-N 449.485 0.485 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)C1=O 919743490 RKNIQLKVSYSPLZ-OAQYLSRUSA-N 446.508 0.892 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1116489066 WNLUBZDTFLAIBN-YWZLYKJASA-N 449.533 0.992 30 20 ICED CCN(C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1251343041 QCXBJQWCMRTYNQ-WBVHZDCISA-N 433.486 0.490 30 20 ICED CC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291373025 KIEAFBMTEOPRIF-CRAIPNDOSA-N 426.543 0.512 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1292134385 SPJHNMVFPDXFAX-IEBWSBKVSA-N 446.600 0.951 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1301408660 XIMPHQVAEGUQGQ-OALUTQOASA-N 429.477 0.996 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCN(C(C)=O)CC2)C1=O 1318155272 AWENZHUEXCICNY-INIZCTEOSA-N 431.518 0.864 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1=O 1318672607 BWEPTMZOLAPMBM-LBPRGKRZSA-N 435.462 0.035 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(Cn4cnc(C#N)n4)o3)CC2)cc1 1346627042 VOFQYYURFPVANF-UHFFFAOYSA-N 428.478 0.396 30 20 ICED COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519236242 UMQAGTNYQQFYHH-YWZLYKJASA-N 433.488 0.337 30 20 ICED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1538746750 XRGNXKNQXXWMAX-ZIAGYGMSSA-N 438.506 0.476 30 20 ICED N#Cc1ccc(OCC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 1540823736 VHPNSGNRIYRSHX-GFCCVEGCSA-N 444.307 0.509 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1554504122 URHHJCDDHAFORF-DLBZAZTESA-N 443.533 0.613 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1564689792 KVBAKKIFQLUFJW-GOSISDBHSA-N 431.518 0.479 30 20 ICED N#Cc1cn(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)c(=O)nc1O 1596195823 MRLKCFZSMOUINK-AWEZNQCLSA-N 432.234 0.283 30 20 ICED CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1617691242 SWBUOZLNGLPVIM-IBGZPJMESA-N 444.584 0.516 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 1663924644 UIFVJXYRBMYGAM-UHFFFAOYSA-N 440.956 0.490 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 1706937641 PHEOVILSKLLXEV-MRXNPFEDSA-N 448.553 0.707 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1722865297 ZHTAPEQAWFEZKN-JKSUJKDBSA-N 440.618 0.510 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1731011810 VQFRCTKDMWZLEF-QGZVFWFLSA-N 446.533 0.989 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767064227 TZSPNARDBLLJKH-PXNSSMCTSA-N 431.518 0.840 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779064298 DQPAKRZKDOJWEA-QHCPKHFHSA-N 426.517 0.938 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1779336657 SNKHGRWSDVKAAJ-WSOZGMELSA-N 441.525 0.138 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1779423765 YCYAGDHVVZWRKP-VHDNZURFSA-N 446.504 0.977 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779445639 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C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789768257 FLRHXKSZWUDBJK-MJUPKGCFSA-N 447.576 0.940 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1789891331 OGDKZPKKHYHBNC-SZMVWBNQSA-N 441.488 0.832 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1789912124 NBEBOASXRRMULM-HAGHYFMRSA-N 444.532 0.796 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C[C@@H]21 1791074292 ONQCOPIIMKEPBD-JQFCIGGWSA-N 441.419 0.088 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccc(C)cc13)C2 1792488825 XVZXZRLHGGOTJC-BEWPNNSKSA-N 437.500 0.704 30 20 ICED 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)CC 1792866991 QWROWTSWLPBDHY-KNTMXKOESA-N 437.537 0.816 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2C[C@@]24C(=O)Nc2ccccc24)C3)c1 1798694968 PCYQJDQBXFEWGV-YXUVSNDUSA-N 445.479 1.000 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799149684 QKTDLVVVGHLACV-ZIKOTGLESA-N 447.532 0.486 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1801992609 OZGNCTIEFUMPKF-HATOLVCRSA-N 448.479 0.939 30 20 ICED 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)COC1)C2 1802125397 UODGELQTPAUIMT-YVSFHVDLSA-N 435.521 0.529 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810246185 UIEQVEFJWFEJDA-GJYPPUQNSA-N 443.504 0.212 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1)C(F)(F)F 1810362346 XMSKOMMKWYAUMQ-MDZRGWNJSA-N 442.438 0.857 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)cc1 1815053725 QWXMDOSVHFAWAS-HUUCEWRRSA-N 440.529 0.762 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425457 HBYCWUBLWRXXTC-DOTOQJQBSA-N 444.536 0.693 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821602950 DXYMHJRGRWJVGD-QFYYESIMSA-N 432.462 0.633 30 20 ICED C[C@@H](CN)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805800 DWFOETUCONTNCB-JTSKRJEESA-N 427.505 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1829766076 KAPOHYKMKANENS-QJKPHDSHSA-N 430.505 0.262 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1830457574 AUULLRFDNMAMEG-XMMPIXPASA-N 449.511 0.980 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830760903 ROJZKNHFUPQGJI-GCJKJVERSA-N 437.537 0.437 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)c1ccccc1 1831144891 XJNMZFMGLJIVFK-DEOSSOPVSA-N 439.512 0.628 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1831397289 QETPBOPGKOQRRM-WZONZLPQSA-N 429.517 0.861 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1 1833464985 DUTDYVMXVZUQDP-LJQANCHMSA-N 446.592 0.999 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833703205 ZYJYKELZIMGJHH-OAQYLSRUSA-N 438.500 0.920 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834399420 RLLJLXNQDZNCHI-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768762 NYQWEQZFZJTXGY-VGOFRKELSA-N 444.488 0.671 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835056281 AGMKFBLTBQKJNJ-KRWDZBQOSA-N 429.525 0.518 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835341305 WHIYSUIOBDWDPO-QFIPXVFZSA-N 428.489 0.783 30 20 ICED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835390187 ILIHIZFBFVHSTF-JOCHJYFZSA-N 430.505 0.345 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1835673168 XYBZVIIXNOGKTF-YQTDCCHMSA-N 441.532 0.833 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1835745727 GOGQBZUDZAYYSK-ROUUACIJSA-N 442.564 0.887 30 20 ICED O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CCN1 1835781931 UOCNWSKBKMQUSD-HIQXPHMNSA-N 443.548 0.796 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1837399663 YTXLGRPIESIDFD-ZFXLNCEJSA-N 435.565 0.356 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837402980 MQMQZUQBJJTSBV-JTSKRJEESA-N 437.537 0.028 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837440497 LOXIQJLFIHFDJG-HHPVHHTKSA-N 436.553 0.874 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837442025 MHWIMOSLEXCRBC-HLQTZPMBSA-N 433.484 0.762 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837525869 QQHYPKUPNCFTEQ-DOXZCSRISA-N 439.534 0.993 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567903 XVSWMXCRLXQSLH-RNVZNFDCSA-N 443.504 0.688 30 20 ICED CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n[nH]1 1838695340 RIGWTIBMVULTBE-QFIPXVFZSA-N 446.552 0.885 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1839174966 GNMJMQXTSCBRNB-CROMWVBPSA-N 449.548 0.292 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(Br)CC2)CCO3)c1 1839207130 KWXSVZLLFSZSJS-KRWDZBQOSA-N 437.294 0.884 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839227247 OCTJPMAWPSDFHH-LZJOCLMNSA-N 448.524 0.534 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424919 IBPNIBBRPDICKM-QKKBWIMNSA-N 448.907 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839699763 TZSHHUOQXDHUPN-FLTJSSMESA-N 436.530 0.827 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1)C(F)(F)F 1839892074 RCLCVLUSYKRXFT-GOSISDBHSA-N 429.395 0.574 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC13CN(C(=O)OC(C)(C)C)C3)CCO2 1840007642 KYZUDLFSILMBPZ-OPAMFIHVSA-N 433.505 0.333 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)nc2s1 1840158447 LTAOHEZTRNGRFL-XIKOKIGWSA-N 439.563 0.416 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840158746 QBYXLXZWKDXCRV-BZNIZROVSA-N 436.456 0.827 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840163211 FJHSAZKOXUCWJN-KLHJMIIUSA-N 432.546 0.527 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840193706 QLFVUYJRNLOOSJ-OAQYLSRUSA-N 447.513 0.640 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840449753 KBNOSKWFBNLCOK-JBYIUTFZSA-N 433.505 0.896 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647364 FAJKTGUFWFUJJT-AOMKIAJQSA-N 446.504 0.656 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)c1 1840715455 BNNNRPUBXRIUAU-VGSWGCGISA-N 431.489 0.393 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840840285 JSZYTKOFXMGGPI-JOCHJYFZSA-N 431.558 0.976 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840840421 RFROAXCPJCDBNC-XUZZJYLKSA-N 425.529 0.913 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)c1 1842189391 YVNGUQPAWWPNNY-LPYMAVHISA-N 433.534 0.774 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)NCC)C1 1844232192 JHCDLZIKRMHFCN-HOTGVXAUSA-N 449.552 0.814 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1=O 26640398 NENLTBVBHIDPPS-LJQANCHMSA-N 426.473 0.820 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 409592869 UGVRDDGNTGRLGV-UHFFFAOYSA-N 443.957 0.685 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 436818020 UAFAPKPKPVSRRS-MRXNPFEDSA-N 437.504 1.098 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 446526479 KYEKYKBFAMKWIP-UHFFFAOYSA-N 443.504 0.172 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2OC)c1=O 461342652 ODUYRTWSVPGLNZ-UHFFFAOYSA-N 431.489 0.829 30 20 ICED N#Cc1c(CCCNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn(-c2ccccc2)c1N 463324827 SBNWYHYEIGPTBU-HNBVOPMISA-N 448.483 0.537 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463630303 QHAWWEVFMAZGQO-VURPSTOHSA-N 445.479 0.917 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 464803916 BKVYZTMMTQGKSG-WBOSRHFRSA-N 435.488 0.375 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 467672545 XJTOQFJSZXIHRH-INIZCTEOSA-N 437.518 0.762 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 472387466 MZVAZDSTHHBYIW-VLIAUNLRSA-N 425.470 0.818 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(C)C 479401178 VSYKOCXTNSERSK-UHFFFAOYSA-N 430.530 0.625 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 480966247 YKWPSFFWRRFUHB-UHFFFAOYSA-N 437.437 0.660 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccs3)C2=O)cc1 487149938 IWELIXVUGDCDQP-MRXNPFEDSA-N 447.542 0.998 30 20 ICED COCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488278622 IVOAEKODBCCIRZ-QZTJIDSGSA-N 434.518 0.504 30 20 ICED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1C#N 489126213 HMXJDOWKTZPCAC-UHFFFAOYSA-N 446.514 0.833 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)n2)cc1 491344630 BTDWNZDJSXYTBJ-KRWDZBQOSA-N 449.446 0.736 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1OCC 495076472 ZLJZGUNMUYHSAT-UHFFFAOYSA-N 448.505 0.480 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)NS(=O)(=O)N(C)[C@@H](C)CC#N 509237856 JFWMHVQNBHHEDA-XHSDSOJGSA-N 436.604 0.490 30 20 ICED CCCCn1c(N)c(N(CC)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(O)nc1=O 512469916 UQULVOUZLLNBJV-MRXNPFEDSA-N 433.557 0.850 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccnn3C)c2=O)CC1 516376107 BHEWFEMWSXTKRD-UHFFFAOYSA-N 440.573 0.472 30 20 ICED CCN(C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 519511475 ZUDFTYJCAUOZRE-UHFFFAOYSA-N 442.563 0.451 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522540262 IGNXJUJLNWRAJH-UHFFFAOYSA-N 432.505 0.864 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 523080167 OLGNSXRIALYKMH-UHFFFAOYSA-N 441.509 0.800 30 20 ICED CN(C)CCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 531570797 RALAQHRKOVOFOU-SFHVURJKSA-N 441.575 0.440 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OCC)n2)c1=O 531909750 MJZPTZHGHUDBHK-UHFFFAOYSA-N 430.530 0.768 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 537037028 KDFSADRMVFMHLO-QZTJIDSGSA-N 425.541 0.327 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 539647827 IVRYZLWJXRLBSZ-CQSZACIVSA-N 433.484 0.996 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)c1C#N 554353520 DLPQMLHLZBWRIU-RBUKOAKNSA-N 443.552 0.008 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 564485533 CQEOGZGBPNVXQK-LWYYNNOASA-N 432.480 0.996 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 570348703 CKIIDWLNGXXVAO-KRWDZBQOSA-N 443.533 0.579 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)o1 588109795 CVZPAUMPCDMURT-UHFFFAOYSA-N 438.487 0.838 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608910995 BCQXNVNUDHNZDE-UHFFFAOYSA-N 430.917 0.610 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccs1 727814824 MLRRMBPYUUVPJG-UHFFFAOYSA-N 443.554 0.213 30 20 ICED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732911272 YROFEDWCFAPMNB-INIZCTEOSA-N 441.531 0.295 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 735847408 PKGIKKICWVWODW-VXPUYCOJSA-N 426.429 0.616 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)NC2(CCCC2)C1=O 741826777 UYIZAHFGSQFFHL-UHFFFAOYSA-N 434.474 0.523 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C 745540053 IFIGPSBCZXYXMX-OLZOCXBDSA-N 426.495 0.923 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 753708371 SAGDPEHHSQPQGV-GDBMZVCRSA-N 425.532 0.683 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 758049745 KJSKXKKSHGROHQ-UHFFFAOYSA-N 446.872 0.370 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762942402 VPCWUUFLEYENRI-KBPBESRZSA-N 425.507 0.809 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCCO3)c2=O)c1 763466050 OGUPCZXTMYWWRI-KRWDZBQOSA-N 442.541 0.179 30 20 ICED CO[C@@]1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCOC1 764451543 LEXKZUYETYTCFW-NDWLXSOOSA-N 438.506 0.360 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 765640256 BKFBSSYCDWPVDX-LBPRGKRZSA-N 425.492 0.105 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3csc(S(C)(=O)=O)c3)CC2)o1 767043229 HEFJDEZZXZZOPV-UHFFFAOYSA-N 438.487 0.825 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 776800124 VUVULJZRSBLNCI-UHFFFAOYSA-N 426.340 0.921 30 20 ICED CC(C)(C#N)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 781955865 ULNJFCVMKHTJMI-UHFFFAOYSA-N 429.543 0.812 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782482953 NBYFAMHDQQXWRQ-WYOZQYPVSA-N 449.533 0.565 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H](C)CO 786023829 YFKROGQVBYMNFM-BBDGKBCFSA-N 440.522 0.028 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788536741 NLZARXHEMDCPIB-HNNXBMFYSA-N 434.497 0.705 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C(C)C 799272393 FZPGHSHAXGRINB-MRXNPFEDSA-N 437.518 0.819 30 20 ICED C[C@H](C#N)OCCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 801816835 UFABNZGLFWOSPZ-GFCCVEGCSA-N 426.451 0.930 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C(F)(F)F 807303333 HGWYWYUNOVQCCL-GFCCVEGCSA-N 440.375 0.605 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCCSC 812277784 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CSCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1783972944 ONNZBFRARLBGPF-DYESRHJHSA-N 443.529 0.992 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784496616 AXMXISSNZVNUGS-RSLVCRIZSA-N 433.509 0.878 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)CCC1=O 1784979579 CXTWOTMUZXWIHU-XPLYWSEASA-N 429.477 0.286 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccc(O)nn1 1785845770 OZLKFYMLRKYNAF-BQFCYCMXSA-N 428.489 0.474 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(OC)CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1788122251 ZISSOSUXGYEDQY-ULQDDVLXSA-N 435.521 0.625 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(Cl)cccn34)C[C@@H]21 1791075785 ZPTLEIWZUYXHIV-XEZPLFJOSA-N 430.848 0.669 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Oc3cccnc3)[C@H]2C1 1791650613 VQCIEVHSVOUFLS-HQAXBYDXSA-N 442.516 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(OC)nc1)C2 1792484593 PVEJWZONRUZIGX-GUGIZKONSA-N 442.516 0.471 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c3n[nH]cc3c1)C2 1792490483 AQRBXGBERJJWOQ-PMBNNVTJSA-N 437.500 0.933 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832461 PPKFETKXLCHQRO-BWKKGPAXSA-N 426.517 0.947 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792884492 CZCXWXQFRJHSTG-JYYAWHABSA-N 443.566 0.381 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1793343144 MGOVUYMRHYOEOE-MPTYRVRUSA-N 444.513 0.306 30 20 ICED C=CCO[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 1793353922 HZQJEKJBJJMHBS-SIRPWMCASA-N 441.525 0.053 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CCC1 1794113766 CYXMBDUFMJVBES-ZJOBFFGXSA-N 441.488 0.276 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796426584 KCXSPZRLGLNPOL-DEPYFDJDSA-N 439.538 0.179 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nc1 1796728451 FVNLGFJWKIQQHE-UPHUGPLXSA-N 427.501 0.992 30 20 ICED Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)cnc2s1 1797062574 OKESPFWGQYGPMU-AGGWBTHJSA-N 429.502 0.817 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1797808731 PDBHLPQEWZXGSH-RHNPYBAZSA-N 437.884 0.862 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cn3c(nc2=O)SCC3)CCC1 1799074871 ZFTXUWSBMYQAFD-SCAQPMJSSA-N 443.529 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1799307027 WDWGYPNYAANBSQ-JTJHWIPRSA-N 430.501 0.689 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F 1799308203 RTTLNPRNNFQDQB-HGKCTWBKSA-N 437.418 0.800 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777277 NZGWBHXKPUEPDV-RCJHGTSTSA-N 449.504 0.454 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)n(-c2cccc(=O)n2C)n1 1800986193 ZQVMAAMFZQQZEH-ZTENYAIWSA-N 445.545 0.401 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079457 SCJRXZWTGLXWIQ-LAUBAEHRSA-N 432.484 0.755 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1810236003 PHXNEWOCFJPBRK-QFHJOOASSA-N 429.521 0.833 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3snnc3c2)[C@H]1c1cccnc1 1811345876 ZZVGWPHJXWDPKN-FZKQIMNGSA-N 436.453 0.889 30 20 ICED COCCOCCOCCOCC(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1812941627 RUMOTAPCSMEXOA-UGKGYDQZSA-N 448.520 0.697 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1817320999 YZSMPEDEGWJRKU-HNNXBMFYSA-N 441.492 0.609 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830219365 CVDZVZVPBWQEHO-GGAORHGYSA-N 430.501 0.989 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830757338 WERWWDLJZDBOBA-RWTMDTCBSA-N 432.521 0.639 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3cccc(Cl)c3)C2)C1 1831392392 DCAFOGBZLDJGLV-WVBUVRCRSA-N 449.935 0.835 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1832548041 NJUKHTADLBTZDH-JLHGSKIFSA-N 433.505 0.545 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(O)O)CC1 1832916709 BVNCNNOPVFFXQC-IAGOWNOFSA-N 437.537 0.833 30 20 ICED C=CCCc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c(O)n1 1834028414 IZPGWSZMBIYJHS-FQEVSTJZSA-N 444.580 0.377 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344764 SOYAMVONVWJIBS-GOSISDBHSA-N 441.410 0.813 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1835354828 FUNNDOUUCQHVOU-JOCHJYFZSA-N 442.472 0.745 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1O 1835361121 ALMVDBSYFQQURZ-OAQYLSRUSA-N 430.461 0.724 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835714053 QIDHABKRPLQCON-LJQANCHMSA-N 446.548 0.844 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)CC1 1835806097 QTDOCTVRBQWQDP-QZTJIDSGSA-N 430.553 0.524 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837397794 UZOFDCDICMJNPI-CVDCTZTESA-N 437.581 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1837398481 BMZGNEIRRWIBHP-XMSQKQJNSA-N 434.537 0.855 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837398492 BWBGBNKIQGARAV-VGOFRKELSA-N 443.504 0.372 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837489906 YHRYDWGJUVDOOI-DEOSSOPVSA-N 441.528 0.779 30 20 ICED CCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533438 UFRDDYKGYKLLOG-ZXRHXNHJSA-N 427.498 0.398 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837559874 IZIADWNPTVJOBI-HPTBBYBNSA-N 446.548 0.887 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817775 OJEHMMCVICYFOX-HSZRJFAPSA-N 443.500 0.556 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838195521 MPVCNTFAMLOPQD-JPYJTQIMSA-N 446.548 0.791 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c1 1838427131 XPXDZYZITJQNIQ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838972887 YVKSYBUVIMNDKK-KSFYIVLOSA-N 432.473 0.509 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c(C#N)c1 1839131058 JWEVJZQPTGNEHZ-GGAORHGYSA-N 445.516 0.583 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1839174232 NYGGWRVWEBBWHO-NRFANRHFSA-N 435.477 0.816 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186463 VLJSVCAZRAVCJF-JOCHJYFZSA-N 432.496 0.696 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1839227680 JAJUXEDEAGCCLZ-IERDGZPVSA-N 433.509 0.700 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c(O)cc(O)cc4O)CCO3)C2)CCC1 1839374040 DGKFVNXDAWTHGJ-OAQYLSRUSA-N 431.445 0.567 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412857 OSUDNTXSNPNWJN-HXUWFJFHSA-N 432.433 0.920 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1)C(F)(F)F 1839892309 GJHGSGRHKNWRTP-SFHVURJKSA-N 439.394 0.918 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038246 NJNLYVUTUJIRDL-NWVWQQAFSA-N 437.496 0.766 30 20 ICED Cc1ccc2[nH]cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840041161 VXKUOIUOULVCMQ-HSZRJFAPSA-N 439.468 0.563 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1840842626 QMRXHVRHJUMDBV-QHCPKHFHSA-N 427.501 0.886 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C#CC4CC4)C3)csc2n(C)c1=O 1841541303 IVCQBWVXEFDFTE-UHFFFAOYSA-N 440.525 0.458 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCN(C)CC2)C3)c(O)n1 1842297553 PUYMGHUSTPECAS-UHFFFAOYSA-N 427.549 0.970 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@H](O)C1 1843983764 LNKSATVCYRPDAF-VFNWGFHPSA-N 449.504 0.286 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C#N)C(=O)C1 1847350525 WLKHKKXWAZFMSE-HOTGVXAUSA-N 447.536 0.817 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 29203975 YRVUPUAYVHDDJN-UHFFFAOYSA-N 425.449 0.770 30 20 ICED Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Cn4cnc(C#N)n4)CC3)cccc2c1 426465662 AZZOEHHDFPXZTN-UHFFFAOYSA-N 425.474 0.540 30 20 ICED COC(=O)[C@@H]1CCO[C@H]1C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 428723688 TYCJMXDOASNNFN-XLIONFOSSA-N 445.520 0.793 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 431539566 QNZDEHUSBRDMHV-UHFFFAOYSA-N 448.545 0.940 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCN(C(C)C)CC4)CC3)CC2)o1 441062685 MJFAEGXNLZAXOC-UHFFFAOYSA-N 443.596 0.994 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 442318187 BBTDSZHLVJGWMS-LUKYLMHMSA-N 443.456 0.493 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 442899155 IWOPVIQLJWMFRW-GFCCVEGCSA-N 437.337 0.912 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 443413493 AGFFXSOSVSRTSP-UHFFFAOYSA-N 432.487 0.578 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 460671252 KSIDSOQGCFPEHM-AWEZNQCLSA-N 431.522 0.319 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478856500 NYXJEHXIHNXVBS-UHFFFAOYSA-N 447.586 0.412 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCc4sccc4C3)CC2)c1C#N 478915109 UFQMYZKNFQGQIU-UHFFFAOYSA-N 441.561 0.485 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1 489192432 CMMRCDJPFBPCLB-HNNXBMFYSA-N 427.482 0.032 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCNS(=O)(=O)c3cccnc3)C2=O)cc1 489271537 SVZAAIYTWXXKSQ-GOSISDBHSA-N 427.486 0.539 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 492585021 WFNSDVMAMALMRL-UHFFFAOYSA-N 431.456 0.911 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 498194160 KKSSIZPFHMRSCZ-UHFFFAOYSA-N 446.464 0.288 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 505831385 HOKAXQYYVGBNON-NQYLQCIDSA-N 434.518 0.906 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 505855976 SUQGMGZHXOFLDV-CQSZACIVSA-N 436.476 0.567 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508880593 MCJVDPPKBUNYKT-UHFFFAOYSA-N 434.464 0.627 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1 510256775 LRPKOSYKRYSBBZ-UHFFFAOYSA-N 449.514 0.697 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2=O)n(C)n1 516218574 ATKHHSQLZQMXBQ-CQSZACIVSA-N 433.432 0.041 30 20 ICED CN(C)CCn1c(=O)oc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc21 519857653 FLUNWULSAXBKGU-UHFFFAOYSA-N 443.485 0.945 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1 522075776 VFPMHONRCKFKEA-UHFFFAOYSA-N 443.525 0.539 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523182241 BTZJWIPWZDMIJW-UHFFFAOYSA-N 435.509 0.208 30 20 ICED CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527088248 QYFJVMQMNDURLD-UHFFFAOYSA-N 436.469 0.826 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C 531699876 PNACPUUQALPYJL-OAHLLOKOSA-N 438.550 0.957 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 539375441 KGDJKOGOSGBPDE-OAQYLSRUSA-N 442.539 0.431 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 542297915 DZSYFXBQYHCPEM-GOSISDBHSA-N 430.461 0.372 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(N)=O 547329049 OPNZSKQEQHCNQV-UHFFFAOYSA-N 448.932 0.013 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 550323787 RPDCOGIHGBKFCN-UHFFFAOYSA-N 436.472 0.616 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552939108 AAVNIYJPKWIBKT-RBUKOAKNSA-N 427.505 0.002 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 558403035 QVYHMYDEOANNJC-VXKZXEGRSA-N 427.548 0.800 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)Cc3ccon3)CC1)CC2 559473605 NKMSBNPWYAVGJG-UHFFFAOYSA-N 429.458 0.110 30 20 ICED CN(C)CCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[nH]2)[nH]1 577109389 CTGVPKHGVITZOL-UHFFFAOYSA-N 426.868 0.576 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 603439812 ZFGGKNHCLOICDW-UHFFFAOYSA-N 435.531 0.714 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)CC2)c1C#N 615988028 PJKWXRGVIBQRNK-UHFFFAOYSA-N 437.570 0.684 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 674195274 QLMUSMKBAXJRSG-UHFFFAOYSA-N 438.488 0.962 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O 729673216 IUMXHRUHSNMBOC-UHFFFAOYSA-N 433.555 0.291 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(OCC(=O)O)cc2)CC1 734751629 VRPOJJZHDCCNJT-UHFFFAOYSA-N 433.490 0.927 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c1 743943278 ZMKWAUWZBRFFNB-BUVGWWEQSA-N 445.545 0.911 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)OCCCO2)c1 754036988 RZGWVSGZFYENDT-CJLVFECKSA-N 438.506 0.707 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H](C#N)C1 757899074 SWPBUKHDZYAFFH-LLVKDONJSA-N 435.462 0.350 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc(OCCOC)c2)c1=O 758052859 SUFLAUUUDJFOAU-UHFFFAOYSA-N 439.537 0.988 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)c(F)cc2F)c1=O 758074952 CXKZEQQSGOTDBZ-UHFFFAOYSA-N 435.427 0.616 30 20 ICED COc1ccc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 759823416 INPKXQDVMWHYEK-HNNXBMFYSA-N 443.441 0.672 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)cc1 770476294 JJWXZTUBOXPAFC-PGMHBOJBSA-N 437.503 0.794 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 771213236 NSKFQQDPBJLYKV-UHFFFAOYSA-N 433.440 0.831 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 775792670 HXVCJXATKYUOMX-SJORKVTESA-N 427.473 0.568 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CCCC#N)c2)C[C@@H](C)O1 776118779 VMEVYPXBKJVRKJ-ZIAGYGMSSA-N 429.520 0.848 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 783481538 PUZQVXCGBGYXJQ-GFCCVEGCSA-N 444.412 0.662 30 20 ICED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 784007379 FTYDOVCDQFDOLH-IHLBYEDJSA-N 449.533 0.565 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)c1 787757444 DJUGNIMLECIBBD-MRXNPFEDSA-N 438.488 0.894 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)o1 793153046 CMFQFLWBPWPUPO-UHFFFAOYSA-N 443.485 0.862 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1CCOC 795187244 MFXQQZNXMVXGHO-UHFFFAOYSA-N 428.333 0.629 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c(OC)c1 805444166 ROMAZDLPVDHAAF-BZROSYFNSA-N 442.472 0.837 30 20 ICED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 811732478 SAZYLYBZWFCMCT-FQEVSTJZSA-N 430.465 0.767 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274131 VORFSIGWJDENLU-NSHDSACASA-N 437.472 0.421 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCCCS(N)(=O)=O)CC2)cc1 816845774 BUIOJFXSJWQOBT-UHFFFAOYSA-N 442.563 0.630 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 917427368 VDVUPCSOCIRHTA-AWEZNQCLSA-N 437.474 0.868 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920108181 PMIPJISFXLEMBS-XJKSGUPXSA-N 438.462 0.467 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 921163665 WGUIAUSCUXUQHT-UHFFFAOYSA-N 440.481 0.422 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1212055028 WRYDTLQJIATXAE-UHFFFAOYSA-N 448.592 0.948 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@@](C)=O)CC1 1288820519 ZXHGIPAVRXXLSC-PFUSGODGSA-N 428.584 0.929 30 20 ICED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1319706418 LFQXCHRAMBOKHR-CZUORRHYSA-N 442.515 0.050 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCNS(C)(=O)=O 1503464121 MDULLPDLKMOQAW-UHFFFAOYSA-N 431.522 0.458 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1510151681 OIQHUBCAVBCVNG-MELADBBJSA-N 432.572 0.451 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)C1 1510288984 QACQTSDJTTYUMX-LJQANCHMSA-N 435.554 0.680 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1517514373 MTFMIZWYCKYKBC-INIZCTEOSA-N 446.533 0.736 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)n(C)c1=O 1524677695 MPHVNYAHGOLMPE-MRXNPFEDSA-N 431.456 0.945 30 20 ICED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1648679041 QIUATMRMFRLLPL-INIZCTEOSA-N 437.518 0.665 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1709842893 NWJIFMXLBNIQQD-UHFFFAOYSA-N 425.493 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1779074901 DRVAWQCFYBGGBZ-RJNMZEQYSA-N 437.562 0.935 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)ncn1 1779100308 AUWHJIXUVTUXMF-YHTQYMMHSA-N 447.448 0.147 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779105270 SUCAKZMJLAZDNW-LYBQEQRRSA-N 442.476 0.702 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780601648 NKWICZRRTWFVTG-FQEVSTJZSA-N 444.538 0.862 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)C1 1780610709 UECFSUVGRXFETK-QOKUDNMUSA-N 447.532 0.912 30 20 ICED 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 1781115807 UMXCZJNZJRQBIR-YYQBIWNASA-N 443.566 0.362 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c(C#N)c1 1781174380 NJYJEMGVDWEISL-JOCHJYFZSA-N 437.456 0.749 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1781271470 SXMJOCWWCMVWCQ-MGPUTAFESA-N 426.466 0.887 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781425270 DQZQYKFACVPNJO-IERDGZPVSA-N 446.508 0.025 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783197883 IYSXWBOUULPHGZ-SFHVURJKSA-N 426.420 0.299 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)Cc3ccccc3)C[C@@H]21 1783532804 HOSJDOULFHGZEB-VDYRWSSGSA-N 441.528 0.428 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncsc1Br)CCO2 1783562058 ZSMLKNVBNHKYFC-HNNXBMFYSA-N 428.264 0.437 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1783584428 WVKOPUCYCJLJQR-IWFBPKFRSA-N 442.516 0.831 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn(Cc4ccc(F)cc4)c3=O)[C@H]2C1 1785685857 IDHGVWFOMVSXCO-WDSOQIARSA-N 438.459 0.657 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857153 BHNYDVFUJHFUSS-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]32)n1 1787637144 PDWFDKFLCIDBOB-DFEOGRTESA-N 435.525 0.924 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)OCO4)[C@H]2C1 1787805474 WLFMNKDCBMKJJQ-IZYOTDRFSA-N 441.484 0.867 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788614853 HDQSIJKKTLWOAY-VGWMRTNUSA-N 427.571 0.251 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1788652300 AVWYGXYNABHDEL-WFUOXRDYSA-N 433.465 0.305 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=Cc4ccccc4NC(=O)C3)[C@H]2C1 1789157636 HRZGUMKVHJIRDU-IEZWGBDMSA-N 437.452 0.480 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(O)c1OC 1790163477 IYTPKHBYWKSOST-NOLJZWGESA-N 432.429 0.091 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790522852 CSOLPLSSPFPYNO-VKRLORBYSA-N 445.564 0.903 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791433998 PWWQOKLYKKDWCX-VGWMRTNUSA-N 434.493 0.806 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792717267 HMFYIBSJRQSHKT-QQXMDYFESA-N 432.517 0.891 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1793343535 ZAMLPMXIYPITLJ-UYZIEWPDSA-N 439.512 0.660 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2noc(C)n2)c1 1794058851 CZKSSHOHNADVFB-CWPLJXCYSA-N 425.445 0.704 30 20 ICED 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)c1 1794752515 VXTBWKLKHMLXED-MHORFTMASA-N 445.520 0.540 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796923504 KLCUZGJBDSSSEK-CCWDJLKJSA-N 430.534 0.864 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796980619 AADMZEPLHAYMNJ-CWPLJXCYSA-N 444.557 0.999 30 20 ICED COC(=O)C12CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)(CC1)CC2 1797268765 UBXQSIDSVWFBHT-UWDKCCGDSA-N 432.473 0.178 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1ccccn1 1797977180 DKOOQPGITFODLA-PDOICOKGSA-N 430.505 0.981 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1C 1798322980 XYLFCADGKABPGR-TYGXFAMMSA-N 433.509 0.715 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccnc2c1OCO2 1798471519 IHZBXCRFLWJJKK-TVBFOXHISA-N 426.429 0.726 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN(C)C(C)=O)C3)c1 1798573862 WWRKYCPVWFSLDG-RMFSNUHRSA-N 428.489 0.638 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694631 KERKWGWLEGDWEC-AMVTXUCVSA-N 436.472 0.303 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)ccc1Br 1799711181 ZEBXNHWPUUAZIN-ZSBFGKGUSA-N 446.257 0.612 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ccc1F)C2 1800774814 PGCXVVNDMKRYRY-YQYWCBKUSA-N 439.237 0.879 30 20 ICED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N)C(=O)C(=O)O 1804133622 COPYGJNHDOCISJ-MUJYYYPQSA-N 428.445 0.118 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2ncccn2)[C@H]1c1cccnc1 1804687928 WLRAIDCWWNGLKP-AWWPTUBISA-N 434.500 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805265346 WYGWITORSPYFHN-OLIFAPLXSA-N 436.472 0.755 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807117306 FDAROPOWMAUXKA-AYBZRNKSSA-N 429.525 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1807195942 FKQOPPUTXNOFDK-SVCJXAEHSA-N 443.504 0.009 30 20 ICED CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1)C(=O)O 1809835925 FMKPWMQMVIWOQH-GOSISDBHSA-N 433.549 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810246200 UMEQUBFJAUWFBE-NBOOPKSLSA-N 443.504 0.259 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810292598 ZXOXAVQHOVJAMT-VIZHLDOVSA-N 425.493 0.435 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810346610 CXRVQCSREWPNGJ-QFUCXCTJSA-N 434.562 0.657 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)c1 1811540880 NYCKWACQUIYHEF-BEFAXECRSA-N 444.455 0.804 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1811543606 AFRNZQWDDGYXND-KKSFZXQISA-N 432.440 0.526 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813224956 GLLWVBRRWGLYLO-LAUBAEHRSA-N 425.489 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)NC(=O)NCC)n[nH]1 1819348399 OWCYOLNDMIVSDR-JMBLZNSLSA-N 445.524 0.968 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1822030277 STYFIPZIQINHCM-FOIQADDNSA-N 441.513 0.891 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)cc1 1822160589 KQPHFBFRQFALRO-CYBMUJFWSA-N 438.469 0.792 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826015165 HKHDNBFLJUQBJZ-YUMQZZPRSA-N 441.560 0.839 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1827273656 XHBHUUNJCOWAGV-INIZCTEOSA-N 448.501 0.159 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1830061658 QOJGURWRKSSOGN-HXUWFJFHSA-N 432.433 0.920 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808201 UMMIWEDGHNIMGZ-FDDCHVKYSA-N 442.512 0.919 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C 1830950181 VMKAQYYTPNNUCD-JOCHJYFZSA-N 446.552 0.009 30 20 ICED COc1ccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207585 SKWGUZSVQPRZCO-HSZRJFAPSA-N 428.485 0.944 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831388780 XHUCOLOKQXYPPX-HTAPYJJXSA-N 432.473 0.266 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1831402189 QCJSJQQPGMJUAG-CROMWVBPSA-N 448.516 0.237 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831871617 BBDFLYQBOUUCBO-XZEIMLRBSA-N 432.525 0.270 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832873230 NQTWMSMKJDZHCZ-JTSKRJEESA-N 448.520 0.182 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833861536 KAMWGKMXKGFLTA-QHCPKHFHSA-N 438.484 0.550 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1835682959 ZSRNXPKEBBXGQK-NRFANRHFSA-N 432.525 0.081 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836051681 LSQYVBKNQMMCDX-UHFFFAOYSA-N 442.564 0.787 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(Br)cn13)CCO2 1837183858 MRHSGRPQKDGMQU-IBGZPJMESA-N 447.289 0.800 30 20 ICED O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567502 OGPLRRKAWAAXQA-YGPNGPECSA-N 443.504 0.832 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837670752 PSHCWYDGZYSUDD-UZLBHIALSA-N 427.567 0.667 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837770411 JHQCNIKTIYQVIY-OAHLLOKOSA-N 431.555 0.831 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2)C(F)(F)F 1838835646 RVOHPDPTGFSYBO-QGZVFWFLSA-N 432.399 0.617 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnn5c4)CCO3)C2)c1 1839561401 WHNNIXCBTCBKSX-QFIPXVFZSA-N 434.456 0.918 30 20 ICED Cc1cc2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c2cc1C 1840042282 LFTHRWSUWDAHAR-QFIPXVFZSA-N 440.456 0.338 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840161249 JCRJMKOIDRIBTJ-XIKOKIGWSA-N 439.925 0.771 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840842871 HHFVRMWCMIDMCR-HSZRJFAPSA-N 444.484 0.319 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CCCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1845959349 GYPXPEUKOMPERP-HNNXBMFYSA-N 434.541 0.370 30 20 ICED O=S(=O)(/N=C1/CCCN1)c1cccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 60060254 HMVKBFMYMQKFGF-UHFFFAOYSA-N 447.502 0.934 30 20 ICED COCCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 65949764 YFFSDKQBWGHMNL-UHFFFAOYSA-N 425.493 0.063 30 20 ICED N#Cc1ccc(O[C@H]2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 428811797 KMLQXQZFSUZDAE-KRWDZBQOSA-N 429.502 0.413 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CCC2)c1=O 430983531 FUCYUSQYTOKQMM-UHFFFAOYSA-N 445.545 0.133 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)O1 435158473 TZEDRZPYTARRIJ-IYBDPMFKSA-N 425.493 0.704 30 20 ICED CCc1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 438096677 RJANLOWVQDWCGD-UHFFFAOYSA-N 428.474 0.382 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1=O 439365740 QOUNMTNWZLWLLZ-MRXNPFEDSA-N 442.476 0.818 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 441428653 LPWDLLHROYBWAD-QGZVFWFLSA-N 431.493 0.932 30 20 ICED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)C1=O 443323820 SIQBGJTZIKJMJH-UHFFFAOYSA-N 439.350 0.938 30 20 ICED CN1C[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)Cc2ccccc21 445182179 DVLCLRDARMEBMC-SFHVURJKSA-N 429.484 1.561 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N(C)CCCO)CC1 460607319 NHKILKDZIRORDM-UHFFFAOYSA-N 425.493 0.691 30 20 ICED N#Cc1ccc(F)c(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 465974951 WCQVXGWYBGZZOC-UHFFFAOYSA-N 425.486 0.538 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468435364 MKZMRWOWMQGQMA-UHFFFAOYSA-N 438.488 0.991 30 20 ICED COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 469314884 IWROBVHKKQRUSN-UHFFFAOYSA-N 426.451 0.618 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480791713 ZVQZOCZGWKBSFL-OAHLLOKOSA-N 435.550 0.332 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-] 481847037 LAGXICDAXRJZAX-UHFFFAOYSA-N 442.432 0.657 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 505859595 YYJDVXOBLOIOBS-UHFFFAOYSA-N 438.535 0.493 30 20 ICED N#Cc1cc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)ncn1 514906358 VEBZGXHHCXKQIY-UHFFFAOYSA-N 434.865 0.843 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 516424766 PLEZCNPRLSZCOQ-UHFFFAOYSA-N 436.472 0.708 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 518157955 AEXUBZZOYMBARX-UHFFFAOYSA-N 445.545 0.634 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 519836830 DLDNGJFUPWWRGC-UHFFFAOYSA-N 429.296 0.799 30 20 ICED COC(=O)CN(CC#N)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 523128679 KBSUJIHNZBOKHP-UHFFFAOYSA-N 445.501 0.681 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CC(N)=O 524281181 KLMLDVPJAWEKKX-UHFFFAOYSA-N 447.900 0.548 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 530317907 LHHYIBCBUVKOMH-INIZCTEOSA-N 441.509 0.040 30 20 ICED COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 540871097 DGZKJUWZVVJSJQ-UHFFFAOYSA-N 436.534 0.802 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CC1 541696876 FZVGSIHNCULFSA-UHFFFAOYSA-N 444.517 0.021 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 543145378 FYNIGDBKZJUNLQ-UHFFFAOYSA-N 436.877 0.757 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)CC1 549831561 ZLORPIFLLKXXPF-RTWAWAEBSA-N 441.511 0.955 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 550790919 RKSRVSFEJPZEQL-UHFFFAOYSA-N 427.553 0.136 30 20 ICED CCOc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC 558114745 QBPUXUMUUCPHKP-UHFFFAOYSA-N 440.504 0.973 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1OC 559717385 DOUCYKAZRMXPBZ-UHFFFAOYSA-N 439.472 0.944 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 561703825 FWRIOFFFNDTYAB-WMZOPIPTSA-N 438.488 0.232 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)ccn2)CC1 564474771 XOOUWOGTJKUMOG-UHFFFAOYSA-N 445.487 0.541 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 577109058 DROGVCZAYVLAEU-HSZRJFAPSA-N 445.483 0.831 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 577682029 LNVGZKSPGKEXKR-SFHLNBCPSA-N 444.532 0.174 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 581960294 RFJFXUNVJHQDIC-IAGOWNOFSA-N 426.521 0.801 30 20 ICED CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 611172745 CHGRHTVKHAAVMK-OAHLLOKOSA-N 435.550 0.947 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(F)c2)c1=O 684535851 WXPZVQOPZKEIRQ-HNNXBMFYSA-N 443.500 0.636 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(c2ccc(C#N)cn2)CC1 725770130 QKKFFHKQEONEIF-UHFFFAOYSA-N 442.501 0.891 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(Cl)c1 727165001 UUHWMYFNUIDDBK-UHFFFAOYSA-N 438.918 0.148 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730724274 LNMRZEOSEQYUAQ-SYLQMPFCSA-N 437.503 0.458 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 731723918 MTNCQTWYDUVPNG-HXUWFJFHSA-N 435.436 0.731 30 20 ICED C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccccc1C#N 753653576 JJWWIGXZMLKXMK-GXTWGEPZSA-N 432.458 0.594 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 755549625 TYRGGOKRFFVEKS-HIFRSBDPSA-N 448.501 0.830 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 758051363 VNJNBDOVXOXGFR-UHFFFAOYSA-N 443.912 0.567 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2CC)c1=O 758066414 HZQUCVRJSKTJFO-UHFFFAOYSA-N 427.530 0.194 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)CC1 759015077 VNVDQVWAEKLEDT-NRFANRHFSA-N 431.537 0.632 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CC3)s2)c1=O 761840592 JLYRUWRVWYMZAL-UHFFFAOYSA-N 448.570 0.546 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCSC 763452041 DBNHBGUXHPQAID-AWEZNQCLSA-N 434.587 0.656 30 20 ICED CS(=O)(=O)c1ccc2c(c1)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCO2 763874997 GSTGXNAAPPDRCU-UHFFFAOYSA-N 435.483 0.554 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768747931 DEHUITURQQXAHJ-MOPGFXCFSA-N 436.465 0.805 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1 769179288 CWYGOMRKZRWNEK-UHFFFAOYSA-N 429.414 0.600 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1cc[nH]n1 770831518 IHRJAWMXPJGRGO-UHFFFAOYSA-N 427.461 0.607 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 773432312 GCRWOEKSDWVRDH-UHFFFAOYSA-N 445.501 0.212 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)Cc1cnn(C)c1 774271797 PDVMYIGVJASVMD-WMZOPIPTSA-N 447.561 0.985 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)c1 779478564 DVGXTFCYRCOCIL-QRWLVFNGSA-N 429.498 0.759 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c1=O 782274631 AZSXGEGOQNHSHK-IRXDYDNUSA-N 447.536 0.975 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 783346126 CAMPSPHUUANHDB-UHFFFAOYSA-N 433.508 0.112 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 783480040 IASOUYCYLDECSK-MRXNPFEDSA-N 447.513 0.661 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C 786430973 CIZDMSLADKJTSV-UHFFFAOYSA-N 439.520 0.512 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)n(C)c1 787053717 RKJAOPIBPRNCJW-HNNXBMFYSA-N 433.446 0.822 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 787754116 CAOCTXNDKNJPFV-LJQANCHMSA-N 434.500 0.831 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 789147637 KIQMCFXOQIKDMC-VXKWHMMOSA-N 426.561 0.998 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 838247825 YNRZBSMGPATIML-UHFFFAOYSA-N 447.488 0.066 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCCCC2)cc1 918262188 JXGQSCNCMKVEJV-HAVVHWLPSA-N 449.533 0.567 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1251902506 PEEMRKHCXRAGLD-UHFFFAOYSA-N 434.543 0.861 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1296649513 HFWMDUBQOMPJAM-AVRDEDQJSA-N 445.568 0.879 30 20 ICED CCCc1n[nH]cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1318015927 NEWZOMDCNFYTFM-UHFFFAOYSA-N 445.501 0.924 30 20 ICED C#CCN(C)c1cnc(-c2noc(C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cn1 1324725659 XDUIOCCSLHITBU-LBPRGKRZSA-N 429.462 0.110 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 1336556211 FDZLTVWUVVOYJC-UHFFFAOYSA-N 438.431 0.752 30 20 ICED N#Cc1cnn2c(O)cc(CN3CCC(NS(=O)(=O)NCC(F)(F)F)CC3)nc12 1459979521 JBIXYVINBVRJSW-UHFFFAOYSA-N 433.416 0.257 30 20 ICED COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504896294 LNMNZLAGFZWTJN-HNNXBMFYSA-N 425.497 0.424 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc2c(c1)OCO2 1509697027 QNCBOVZKVVLVQI-HNNXBMFYSA-N 428.449 0.953 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1Cc2ccccc2O1 1510220968 NZPNZAVESWVCHV-IMJJTQAJSA-N 432.506 0.621 30 20 ICED CCN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1515297202 ZRHXTFMJZXWKPT-AWEZNQCLSA-N 436.476 0.399 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1541679229 UQVNTQIDMNIGSW-QGZVFWFLSA-N 425.493 0.504 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)n1 1543066873 KTWIIFJOOZHEDU-IRXDYDNUSA-N 433.538 0.836 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1711418242 INLUKILBTKSXIU-MRXNPFEDSA-N 441.521 0.836 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1723621437 NYJRKJKPJZQGLK-KRWDZBQOSA-N 446.533 0.738 30 20 ICED CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1728218593 MZVNEZYSPKXWPT-GOEBONIOSA-N 449.537 0.849 30 20 ICED CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750526719 SFFUZWULJQZXSJ-CVEARBPZSA-N 438.554 0.020 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CCO1 1771537765 VBMDQKJDLBWUGL-WFASDCNBSA-N 434.403 0.901 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715910 ZNPRSQFCSNWQCA-DYESRHJHSA-N 448.545 0.769 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccco1 1779016887 SOSPRMITNGOGMB-VSIOZEBNSA-N 431.493 0.311 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779061220 SELMDSDJUKJODN-DEOSSOPVSA-N 445.560 0.918 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1CCN(C)CC1 1779066324 QIKNOLGUKHNJPF-YKSBVNFPSA-N 446.592 0.151 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779101417 LCCLVHUMLUGOPL-DRDNUIKESA-N 442.476 0.702 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779313309 OABKRVCBUHSMGF-IKSNEBHTSA-N 449.529 0.468 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779941173 CBMCRICAZIKLED-VTJXTGGHSA-N 446.508 0.504 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780167165 FMLHUDKFDMHDRD-KNQAVFIVSA-N 428.489 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCN(C)C2)C1 1780568067 FSJUNBCLZYSBOV-AZUGSPFDSA-N 432.565 0.701 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=C)CC(=O)OCC)C1 1780738455 HPLXYEGOVWTKOJ-GSHUGGBRSA-N 435.521 0.700 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1781093836 BRLLDTNFTBWZOI-DVECYGJZSA-N 439.560 0.832 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCC1=O 1781296569 ZWAHNAIOITVKIV-QFIPXVFZSA-N 441.463 0.678 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814424 SQGBZHPXWGUCCK-CMQXEDBBSA-N 449.460 0.776 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1781960668 WANGYDDIHVFKHW-OAQYLSRUSA-N 439.403 0.943 30 20 ICED CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(=O)OC(C)(C)C 1782010643 SNWGPUBITIJCQP-QVKFZJNVSA-N 437.493 0.455 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCSC(=N)N)CCO4)C3)c2c1 1782194872 OVZQJYFHTFOKAO-HXUWFJFHSA-N 441.517 0.895 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1782917621 ROJXLODBLRDIMO-NXOUIPOBSA-N 437.493 0.689 30 20 ICED CN(C)[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1783565511 MCDBLBHRWFDQOC-FPOVZHCZSA-N 433.892 0.861 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1784147228 IZKLNVJHMLNZHU-KSFYIVLOSA-N 449.504 0.551 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1785020154 LPACHLXJRZCSAO-QBYUYEEZSA-N 443.566 0.728 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785143032 MMKPFFJELZUWFW-WDSOQIARSA-N 429.521 0.722 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn(C)n4)[C@H]3C2)c(C#N)c1 1785876500 FSMWPQQOHDUJRH-SNRMKQJTSA-N 438.488 0.531 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCCC4=O)[C@H]3C2)c1 1786731973 TVBJJBAGWVNKGZ-VDGAXYAQSA-N 440.500 0.783 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc2ncccn2n1 1787936995 BGUWQLBCARHESD-QBESIMBKSA-N 440.508 0.189 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1788655477 HAVGCBZNYLGGHL-ALNZPZHCSA-N 431.493 0.528 30 20 ICED CCOc1ncc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788980085 JBRYOQINFSPSBA-RCBQFDQVSA-N 435.864 0.815 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1789223836 CWFZZZAZFMTPGT-KKHGDKKTSA-N 446.504 0.508 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791083444 OGCGNVLQJNCNMW-QAETUUGQSA-N 449.504 0.454 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145264 GKMFGAAZGIVQTN-WMEZAQDKSA-N 428.489 0.428 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)cc1 1792425684 VSRXBJYZSHUQBY-RCLSDMTESA-N 445.541 0.658 30 20 ICED O=C(COc1ccc(O)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1792779280 FFBHXDKDEOKMJX-JMNZSAOUSA-N 447.488 0.890 30 20 ICED COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1C 1795597999 QTCVDGLJGQFUDM-BCDXTJNWSA-N 429.521 0.884 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)c1 1795639016 DCENPXXTRAVUET-YJTOSLPHSA-N 427.505 0.110 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1795731544 QFCARJRNSYEAHS-HGKCTWBKSA-N 447.455 0.001 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)no1 1796419296 FBCNVVJOEAAJHC-HBCWATKFSA-N 426.433 0.415 30 20 ICED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444144 BFQHIBMBIHVLCW-YDXRZFBYSA-N 433.530 0.991 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)c1 1796574051 IIMRPURRTRFKTG-CLLJXQQHSA-N 436.407 0.389 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797785128 HMXTVVLYBVSKAO-KGSLCBSSSA-N 440.540 0.878 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)c1 1797809143 CDAHVWLKOOEDOH-AUJACXKFSA-N 442.516 0.167 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(=O)C=C)c(O)n1 1797943265 KRMQFLGVZLOCDY-IHSNIMORSA-N 442.516 0.800 30 20 ICED C#CCCCC(=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 1799196133 GVIZGZOOOICEHY-STEXWYFWSA-N 449.548 0.607 30 20 ICED 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)S 1800990783 ZFEXDJGWOKVCET-IBEHDNSVSA-N 425.551 0.811 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2)c1ccc(O)cc1 1801055428 TZBFSKBGSSUVFT-XWQURZDVSA-N 427.501 0.615 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1803555380 WMQJMRPQQPBYGS-WFXMLNOXSA-N 431.537 0.663 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807041710 DFPAUOFPWKNLQL-LVCYWYKZSA-N 431.537 0.663 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1807147465 KWMMLMOAZJUICH-YJBOKZPZSA-N 425.493 0.245 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1810246745 NIGHVINKMSKEMQ-VUHPKUFZSA-N 431.537 0.253 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1 1814433701 BVXJRMCFLFXWAE-XHPSBEMXSA-N 430.465 0.712 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1829749017 MJGROTVBSSPDCE-LJQANCHMSA-N 439.538 0.633 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829903352 PWMABLNXUJCMDM-UVDDSOTQSA-N 447.557 0.716 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830061684 RYIXLZVECLEWLP-QFIPXVFZSA-N 444.488 0.970 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831125644 WIKLPCRPTVPUML-QHCPKHFHSA-N 434.533 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1831391459 BXILWSCIJIEGGK-MHECFPHRSA-N 441.528 0.787 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831393563 YAFKZUMNKKXHQI-QVKFZJNVSA-N 428.445 0.331 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831403977 FUPAUEBZXLXEQK-YLJYHZDGSA-N 446.566 0.106 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831490688 IQJKILOEBMGZAO-YLJYHZDGSA-N 433.534 0.754 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)nc2s1 1832103993 CBMGSOGBZFPGEI-FQEVSTJZSA-N 444.517 0.402 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246486 HRKSUKLKRDZZLK-OAHLLOKOSA-N 439.362 0.348 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833705323 DBOMKTMGXJVRQR-VFNWGFHPSA-N 438.500 0.511 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1835346716 QYANCDOEBUZFDJ-CVDCTZTESA-N 437.500 0.513 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835353846 FHMXGDVNJOFAHE-IBGZPJMESA-N 432.868 0.985 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673056 UGLRFGGCDHDLHD-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836051671 ZVFCQFVQNHZHEK-ARJAWSKDSA-N 441.532 0.364 30 20 ICED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cc1C 1838149201 FCIFWOSZRMUKNA-QFIPXVFZSA-N 446.552 0.563 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838514324 AOKUZWWYHBDAPZ-XMSQKQJNSA-N 435.521 0.804 30 20 ICED CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131271 UYIHQEDUEVXJIH-SIKLNZKXSA-N 431.489 0.337 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)no1 1839361598 SVYQWIUGEXULLK-JOCHJYFZSA-N 439.472 0.757 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnoc5)C4)C3)c2c1 1839487877 JXJSOMXWSGEHAW-OAQYLSRUSA-N 436.428 0.806 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1)C(F)(F)F 1839894430 BWASLQVPLYDDAC-CZUORRHYSA-N 426.457 0.675 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1840163805 OEUCTHAZPFKGMQ-SZNDQCEHSA-N 433.530 0.960 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC=C)CCO2)C1 1840176642 OPMXIOGYEKGPBN-VGOFRKELSA-N 435.521 0.936 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840178494 KJVAXHCXSIZWMY-XZOQPEGZSA-N 444.484 0.110 30 20 ICED Cc1cc(C)cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840306861 FZCQFWRURVIZSQ-HSZRJFAPSA-N 428.485 0.780 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)CC2=O)c1 1841009827 NQIAKPXXYSSVQN-OAHLLOKOSA-N 425.441 0.340 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c(O)n1 1843007772 KLEHRTAYCLAOAA-UHFFFAOYSA-N 449.471 0.768 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1845253669 XDKNTEIVJGIMFZ-HNNXBMFYSA-N 428.555 0.662 30 20 ICED Cc1nnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)c1C 29429740 YXBDYFDYCKJYDC-UHFFFAOYSA-N 436.519 0.123 30 20 ICED Cn1ncc2c(=O)n(CC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cnc21 31796037 YHIVEDJZNRNBAO-UHFFFAOYSA-N 449.450 0.658 30 20 ICED COC(=O)Cn1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 438342960 VBWZMNRNDWLJAO-UHFFFAOYSA-N 425.405 1.530 30 20 ICED N#Cc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 441670484 RHZSGMNXAVGBRA-UHFFFAOYSA-N 442.453 0.457 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 443075306 WNXKOBQLARTXQJ-UHFFFAOYSA-N 432.424 0.936 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 443201738 IOZLFTCLFLWEGR-MRXNPFEDSA-N 448.526 0.546 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCSC 443676835 VORORKZDBBAYMI-UHFFFAOYSA-N 440.550 0.958 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 446061890 MIKIXIISFUEEAP-HIFRSBDPSA-N 434.497 0.883 30 20 ICED COC(=O)c1ccc(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460587351 CLIGVVGSBSADGM-UHFFFAOYSA-N 432.440 1.531 30 20 ICED N#Cc1ccnc(N2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)c1 462289797 BPEXEWOFINQICC-KRWDZBQOSA-N 440.485 0.055 30 20 ICED COC(=O)Cn1cc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 462427716 AIHXKJDBJOWFFI-UHFFFAOYSA-N 443.489 0.607 30 20 ICED Cc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 468805965 DKIMATNIBGSVDD-UHFFFAOYSA-N 448.342 0.880 30 20 ICED N#C[C@@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 479820205 CIMDKADMZJQECE-CQSZACIVSA-N 428.430 0.834 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1 491088053 WJKNREHTNALIPV-UHFFFAOYSA-N 444.532 0.938 30 20 ICED CN(CC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 495757021 DBWVMEJHSFIBLG-SFHVURJKSA-N 448.545 0.809 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 497792198 UBZNFYQZUWLZCD-YLJYHZDGSA-N 449.515 0.689 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1 502056172 HPSNFGLCSDKWKK-UHFFFAOYSA-N 437.525 0.678 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N3CCOCC3)C1)CC2 504804732 REPJBTSITRWNNQ-KRWDZBQOSA-N 432.502 0.100 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C2CC2)cn1 508036480 FMZFCIJVCNXFCA-QGZVFWFLSA-N 432.487 0.255 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[nH]c21 508122969 YULXMRNUKUAPGD-AWEZNQCLSA-N 435.444 0.478 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC2CC2)CC1 508800187 DTDHDMBMUMHEEE-UHFFFAOYSA-N 448.531 0.779 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 512274956 FMNNTKFHFANRAL-RDJZCZTQSA-N 436.534 0.882 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 520930591 DAXGOVTVALYCHK-UHFFFAOYSA-N 443.529 0.995 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 522284463 OULAILZYAJEANG-UHFFFAOYSA-N 449.479 0.586 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 542348268 KIUNNWAJXFPPMZ-UHFFFAOYSA-N 429.477 0.928 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 556387255 KSNRHFZJTLQAHJ-UHFFFAOYSA-N 448.483 0.713 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)CC1 557704839 KQVMCSGVEDOLSV-CVEARBPZSA-N 425.580 0.457 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2cnccc2C#N)CC1 557747576 XEJJIVVQLPRXGE-UHFFFAOYSA-N 431.474 0.580 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 562138876 GDWLKGLQPHWRGR-UHFFFAOYSA-N 447.455 0.561 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 564252571 MTDIQZOELOVIKD-UHFFFAOYSA-N 438.506 0.452 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 576495531 WWOFEKNGEZQDFA-UTKZUKDTSA-N 445.545 0.038 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589038250 LCNQJHJUSQFEFW-MAUKXSAKSA-N 435.488 0.251 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C(=O)N1c1cnn(C)c1 589038853 YTFUAGINRLVDNI-NVXWUHKLSA-N 435.488 0.509 30 20 ICED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC2CCN(CC#N)CC2)cc1[N+](=O)[O-] 589400510 SDIFRWZBLRYDSX-UHFFFAOYSA-N 438.510 0.798 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 609351027 BILKFADHMIBESS-UHFFFAOYSA-N 434.468 0.305 30 20 ICED COCC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611429151 ULXRETUFMDHQCY-FQEVSTJZSA-N 431.512 0.762 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)CC2)c1C#N 616005570 XPHVCZPCNFXCPZ-UHFFFAOYSA-N 437.439 0.607 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1=O 684988495 XXVXNYQCIADXIH-QGTPRVQTSA-N 437.518 0.064 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3ncc(C#N)c3N)CC2)cc1 731772021 ITGMWFLHLNTRND-UHFFFAOYSA-N 428.474 0.853 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CC(=O)Nc4ccccc43)CC2)o1 733611987 PUSISDCCOUEESJ-UHFFFAOYSA-N 438.444 0.505 30 20 ICED C=CCOCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 745530467 OKBVRLVOQDULKI-UHFFFAOYSA-N 429.495 0.650 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752256946 LZJQWQKKIBZWJI-CCEZHUSRSA-N 432.911 0.713 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 756909217 LWEDNKATGAMYMG-HNNXBMFYSA-N 440.508 0.535 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccn2)c1=O 758052905 TVEHOWWNGVPWCF-UHFFFAOYSA-N 444.472 0.851 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 758060736 KZCWSJZMTDGOKG-UHFFFAOYSA-N 440.550 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(CC)c2)c1=O 758061819 JSXHKGZTKMBEJV-UHFFFAOYSA-N 427.530 0.194 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)nn1 759410004 XUTMTPOXRJAMGD-UHFFFAOYSA-N 430.396 0.908 30 20 ICED Cc1ccc(N(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)[C@@H]2C=CS(=O)(=O)C2)cc1C 762475180 JLRJLTWKHVRLDA-QGZVFWFLSA-N 428.470 0.379 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOCC)c2=O)cn1 772302991 NSZHRQWVNCFAIA-UHFFFAOYSA-N 427.530 0.805 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cn1 772318894 WEQUWYZRULUNQG-UHFFFAOYSA-N 432.509 0.626 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc(S(N)(=O)=O)c2)c1 776628641 SNTPZFOQZGCHFJ-QNGOZBTKSA-N 437.503 0.794 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CCOC 782302881 PZOAAKMYFADNTK-UHFFFAOYSA-N 439.896 0.614 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 784925125 QYOSKKLXDZKNJU-UHFFFAOYSA-N 446.529 0.055 30 20 ICED CC(C)(C#N)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 785078425 NFAPRGCOCVXAKP-UHFFFAOYSA-N 438.462 0.911 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CCCO1 799259968 KZOORRNBKYDRDA-CABCVRRESA-N 437.294 0.916 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)n1 804117672 DWIGUOYDARLJKJ-GOSISDBHSA-N 439.516 0.895 30 20 ICED C#CCN(C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CCCC1 806412798 FNAUPWZXPWOGGX-UHFFFAOYSA-N 446.573 0.643 30 20 ICED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 807832482 OKPVEEPPRWEZSG-OAHLLOKOSA-N 428.493 0.585 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cn(C)nc3C(F)F)c2=O)c1 812277756 YBXPTFZWMJZAQM-UHFFFAOYSA-N 439.447 0.800 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccc(Br)c(C#N)c2)nn1 821618603 NWLUSNAGNQOMEF-UHFFFAOYSA-N 441.267 0.119 30 20 ICED COC(=O)[C@@H]1CN(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1142390122 LXLJJXSUAMHWTI-GOSISDBHSA-N 448.545 0.522 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccnc1 1288862244 IECAHVRSAPMOHD-CRAIPNDOSA-N 444.565 0.703 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453960421 XSBKZBYHJDFVSC-IFXJQAMLSA-N 431.518 0.931 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1541801449 WSHCIJQZYXSXNO-ORAYPTAESA-N 433.490 0.962 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1554507078 IKXHMVCRCAJPNT-QZTJIDSGSA-N 446.533 0.781 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c(OC)c1 1554869044 LXILPJIRBTVYAM-INIZCTEOSA-N 442.476 0.550 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1C(F)(F)F 1661973732 QZOFZUAIMRDXGM-LLVKDONJSA-N 426.442 0.913 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690229468 WYYTYZMSLGRMNW-STQMWFEESA-N 444.355 0.900 30 20 ICED CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748390437 XOUMXBPMSPZDOY-CZUORRHYSA-N 427.513 0.504 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779021734 UPCUIZFZMWIENO-PIUNUONSSA-N 430.509 0.581 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779073215 IJQLPYNDHFFCOJ-AZYJHZSQSA-N 449.460 0.023 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)ccc1Br 1781902216 DHLLWQYHRBXIRC-SFHVURJKSA-N 449.309 0.247 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21 1783530982 AZYBXWAMDYYEMZ-FCPZNUGYSA-N 430.480 0.601 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CCO2)C1 1783897360 RKGLZFPOFARGGV-KZULUSFZSA-N 430.523 0.991 30 20 ICED COc1ccc([C@H]2C[C@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1784432409 BWYQGROGBYBWLO-VRCPBSEVSA-N 426.469 0.866 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612696 MTMAVUOPCJCCDA-JZKQVHKSSA-N 445.582 0.799 30 20 ICED N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786849879 TVSYGIWFXHOLQJ-ULQDDVLXSA-N 436.578 0.681 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1788656966 TYZRWWBCAXUFDL-IDEMRGQUSA-N 433.509 0.851 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788672176 XCGQUHBBJBCMBJ-CVYDXHPNSA-N 449.508 0.493 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652335 KJULZXGBTLUWLB-CVYDXHPNSA-N 448.476 0.327 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1[N+](=O)[O-])C2 1793345046 IBSURWVUMDOYPD-RACNMONISA-N 445.472 0.774 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1cccc1C=O 1795747570 BJCOHBAKVPZNAX-VXIBKDFQSA-N 429.521 0.733 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cc1 1796489204 HEIGSLJAOYAYOD-RPUPUWCGSA-N 441.528 0.765 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797461914 SUUKHULOBHZQLO-ALXJQNPVSA-N 425.493 0.214 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798464757 LFUAUTBJDGWNAE-YALNPMBYSA-N 443.504 0.107 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2C)C3)c(C#N)c1 1799238513 HZGMQPBUOHRJGY-YZIUBNRHSA-N 440.500 0.320 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800153593 QQFHWSZYFNZHOH-SQFBREILSA-N 426.517 0.933 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)CC2=O)c1 1800982043 VOPFYXGTUYYSDK-NKGVLGIYSA-N 447.557 0.956 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800997523 CXORJSGUFNENBH-VPTLXERWSA-N 427.505 0.187 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nnc(Br)n3c1)C2 1801988890 QHZHOSAWSJWFAV-CLLJXQQHSA-N 446.261 0.832 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802926221 QVFUVDNDHWLMIP-GVDBMIGSSA-N 448.520 0.868 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803560467 MYGJFVZAMYSHGQ-ILWGZMRPSA-N 446.548 0.721 30 20 ICED C=CCSCC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700024 AIMVGJNPINXBNV-UHFFFAOYSA-N 443.635 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1807509791 VROMWHBAHCBAEP-AWWPTUBISA-N 436.516 0.922 30 20 ICED NC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808419431 PLFZUIBZGYVXQC-QMDRAINUSA-N 427.530 0.874 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810247321 UNXKOEDRTWFXPJ-ZJOUEHCJSA-N 430.549 0.993 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819427054 VGPVMHZUYLFHJV-MRXNPFEDSA-N 426.477 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829617862 IOXQYFKXGDDYNG-HTAPYJJXSA-N 445.472 0.632 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C)c3)C2)C1 1829769240 OMLWMHCJODISKQ-XBKFQHLESA-N 427.501 0.923 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831184926 JKQAOBWEAGOAPE-OAOKJSIISA-N 434.493 0.070 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831212679 BNIZFCLWGJXLGS-HSZRJFAPSA-N 426.469 0.828 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1831221270 ITOXRNPOBVQXNN-JOCHJYFZSA-N 426.448 0.957 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831221618 UFUXCBNTBVKGDS-WVQWTBLQSA-N 449.507 0.766 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1831385713 DYZBSILHWGWIQE-VLIAUNLRSA-N 437.880 0.549 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1831421974 XRQZSZQIOHLFSL-HTAPYJJXSA-N 432.521 0.809 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831483081 JXWIFYMTRCEBSJ-MJGOQNOKSA-N 431.624 0.446 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1834761073 UPMZGYOFNKFFES-OAQYLSRUSA-N 425.445 0.149 30 20 ICED COC(=O)C12CCC(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)(CC1)CC2 1834761191 SQDSMLLFHUTWBZ-HRTMPFAESA-N 433.505 0.870 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)NC(=O)CC5)C3)C2)CC1 1835342345 RAFMAAINGSHRRC-QFIPXVFZSA-N 439.472 0.340 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)c(C)n2n1 1835356938 CFSUWOQWXDJYFR-HXUWFJFHSA-N 427.465 0.115 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)c1ccccn1 1835681096 PUQSMTFAKNDILJ-MBSDFSHPSA-N 443.548 0.923 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1835731470 RBXMJLHJCKNENN-PCLIKHOPSA-N 429.569 0.996 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1835990582 XQIREDUFOIZDRT-OAQYLSRUSA-N 426.477 0.323 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)o1 1836025813 TXOPESIXFHVTNJ-OAQYLSRUSA-N 425.445 0.562 30 20 ICED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1836122920 MUWNYOVZJHLDEN-UHFFFAOYSA-N 441.532 0.888 30 20 ICED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1OC 1836274372 TUNKOJNQDZWLPZ-UHFFFAOYSA-N 443.500 0.977 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1C[C@H]2C[C@H]2C1 1837287240 PBJVELAALOHQIE-XFNOLROGSA-N 438.528 0.968 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837525658 YCPBCCKFGNIPKM-OKQJOYLDSA-N 449.508 0.328 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)[nH]1 1837526139 SQKVAFWNMOPWBN-DTKOAWRHSA-N 435.481 0.317 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837772030 HXHPDEKHTWBDFZ-SGTLLEGYSA-N 431.461 0.632 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733093 NHTWSECYYDKNOG-OAQYLSRUSA-N 426.477 0.621 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ccnn5c4)C3)C2)c1 1838739994 CPFGWWIDBWOYGM-QFIPXVFZSA-N 434.456 0.918 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905899 FHHVEHCIFRRTLN-LAUBAEHRSA-N 429.477 0.075 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1838908870 YXDWFKLIBCOKGH-AVRDEDQJSA-N 426.473 0.154 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)cc1)CCO2 1838964518 KKRABAUCFCWAAB-AXKGWLQCSA-N 443.500 0.624 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839225601 NYFYRQWOEIOJIY-SKBDVJSQSA-N 431.555 0.402 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273471 FUUITLGMKORHDF-QVKFZJNVSA-N 447.444 0.409 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1839472212 IAKWIWCJGZGGJR-JOCHJYFZSA-N 444.488 0.970 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)c2c1 1839486299 RYKLXDAQMGYGOY-QHCPKHFHSA-N 433.468 0.918 30 20 ICED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487928 MKGGIPKQFAPDFN-NRFANRHFSA-N 427.461 0.541 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810806 SUMYFBRRYQKKRA-BDLQGWJCSA-N 447.532 0.864 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985934 AVBSEQYTHFSDII-IIBYNOLFSA-N 439.509 0.006 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013986 BZDYZKOYVWSRQN-JVIUNVGKSA-N 425.482 0.151 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062157 NYRFWHZLZNIDAZ-YIPJSWNASA-N 448.476 0.386 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840293460 CPCBZJOUSZZWGD-JOCHJYFZSA-N 446.504 0.363 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840431498 ISCIUMOONRKNFV-GIFRWZEPSA-N 446.552 0.447 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487810 KXSZIUWTVXPREZ-OQBWYENPSA-N 431.493 0.747 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497710 QWVRXXQNKIGHIW-HRAATJIYSA-N 434.493 0.587 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c1 1840713704 ONKKCLWDXPVWTR-AOMKIAJQSA-N 438.488 0.826 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840844345 QEVHKALNBNYZSF-DKLXNKCPSA-N 437.496 0.766 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1842778339 LATQSVZHFZFKIG-UHFFFAOYSA-N 430.408 0.834 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C1 1846366045 NBQJUTFUYXYWLF-HNNXBMFYSA-N 434.493 0.629 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 10849563 SIESYOLDULIUJA-CQSZACIVSA-N 436.490 0.695 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 24263603 BRGANRDHMZFYRD-CYBMUJFWSA-N 425.467 0.301 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 105460420 XZZARMVEBULIHV-UHFFFAOYSA-N 429.454 0.781 30 20 ICED C[C@H](C(=O)NCC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 409921448 GKWIDPJYPVZVSM-INMHGKMJSA-N 446.475 0.799 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1=O 410113591 TVAJRSBERKKSHF-LJQANCHMSA-N 448.545 0.398 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426367116 VCRCOFPXAWCVHO-KEYYUXOJSA-N 429.477 0.415 30 20 ICED CCCN(C(=O)CN1CCO[C@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 436134063 USOHILNUQVRDFY-MRXNPFEDSA-N 426.477 0.547 30 20 ICED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 437476119 UUSBQTABGNQYIC-UHFFFAOYSA-N 441.511 1.306 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)C1=O 440280558 IPOWMNLWFYZLQU-RHSMWYFYSA-N 444.488 0.552 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1F 446530296 HFNMVMGNPPPFMS-UHFFFAOYSA-N 430.444 0.123 30 20 ICED N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448509304 CDBVBKDBGMTXME-UHFFFAOYSA-N 442.545 1.075 30 20 ICED CN(C)CCc1ccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 467172764 XZIIPZXWWFPTTE-UHFFFAOYSA-N 431.500 1.557 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2CCN(c3ncccn3)CC2)c1 473445516 ZDAZBQWUCAQMJX-HXUWFJFHSA-N 433.516 0.778 30 20 ICED COCc1noc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 474267972 QVUAAPKQISUZES-UHFFFAOYSA-N 448.505 0.053 30 20 ICED COCCC(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 475413118 BRCKVQCVTHNYCM-UHFFFAOYSA-N 425.449 0.093 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)n1 479383486 MESSVFUQPDVPMZ-ZBFHGGJFSA-N 441.509 0.601 30 20 ICED Cc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 481022070 SXISJCWGLMZRNB-UHFFFAOYSA-N 426.520 0.834 30 20 ICED COc1ccc(CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 481159541 WGUWGONTXTYNAZ-CQSZACIVSA-N 430.486 0.666 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 481769954 VMBZQQFXPXHQEA-ZBFHGGJFSA-N 427.523 0.920 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cc1 490268622 GQVJOXUZVIZSKE-MRXNPFEDSA-N 447.407 0.980 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](C#N)c2cccc(Br)c2)n(C)c1=O 496345407 WIOLTCJUZRGWLC-CYBMUJFWSA-N 445.277 0.967 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 499020697 BCCBSIANYKSFGN-LBPRGKRZSA-N 429.296 0.799 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 503896609 XNOIUJQGAUKFJN-SFHVURJKSA-N 448.526 0.940 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 510324152 OXULNCQTLNCQOJ-AWEZNQCLSA-N 448.505 0.919 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCNC(=O)C1 512465802 LMULOMDGRARZIS-UHFFFAOYSA-N 425.283 0.646 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513504619 FGRDGZDEQCNGEZ-UHFFFAOYSA-N 427.440 0.230 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 516119132 CUROLEVDHWDKKP-UHFFFAOYSA-N 428.536 0.157 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 516145549 GHNOTQJZQUMQIQ-UHFFFAOYSA-N 426.523 0.680 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 521753894 RIDYBRQYUIOJEO-WBVHZDCISA-N 436.534 0.800 30 20 ICED COc1ccc(NC(=O)CN(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 534098436 MEBAJSUOXCVRIL-UHFFFAOYSA-N 435.506 0.784 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCCO2)c1=O 535331683 GQBNKJQLXFFTPP-INIZCTEOSA-N 427.530 0.338 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)NCCN2CCNC(=O)C2)n(-c2ccc(C#N)cc2)n1 551437971 LJHYXAHFJHRDNI-UHFFFAOYSA-N 437.504 0.528 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 553561574 MPNLQZQKGFEKPY-IUODEOHRSA-N 434.440 0.604 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(C)C)c1=O 559152051 ATDWEOPJWAVBBA-MRXNPFEDSA-N 444.557 0.907 30 20 ICED CN(C)C(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 559563540 MMJNUELBHKNHPG-HXUWFJFHSA-N 447.495 0.794 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cc1 566532253 CYCJSQSPBLHIFZ-ZDUSSCGKSA-N 425.413 0.671 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H](N4CCNC4=O)C3)n2)c(Cl)c1 570781428 AYOPVDOQFVOMHW-CQSZACIVSA-N 441.879 1.352 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 577242712 HEXQYPHWLVQCHM-INIZCTEOSA-N 444.579 0.542 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 577753766 FIISDFZUYVFNET-LJQANCHMSA-N 428.537 0.465 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 579983265 LSTSYKSMMJDBSS-GXTWGEPZSA-N 430.552 0.539 30 20 ICED Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588871280 SCCKXBHUIJPIBJ-MOPGFXCFSA-N 434.500 0.915 30 20 ICED CN(CC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 603577498 BOGBLOWTEJLYPA-FQEVSTJZSA-N 441.469 0.872 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c(C)c1 604270327 WAJOMOVRJIIJJZ-UHFFFAOYSA-N 426.542 0.643 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)CC1 728572566 KBXGRBHYUOCZDK-UHFFFAOYSA-N 439.604 0.821 30 20 ICED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 731158028 YMLVAQBUDCWYPK-UHFFFAOYSA-N 447.477 0.753 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cn1 732562856 LMTBQPFVQRGQQV-UHFFFAOYSA-N 428.562 0.421 30 20 ICED NS(=O)(=O)c1ccc(F)c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 734551139 JMFODLCKUJBHGN-UHFFFAOYSA-N 440.478 0.218 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1 735044643 OBJUKCLNOMQNKP-QGZVFWFLSA-N 435.546 0.389 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 735494513 ZGPLRWBHWXTGKH-YSIASYRMSA-N 434.562 0.718 30 20 ICED COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1OC 752374669 HTXDMNZZAOUROA-OAHLLOKOSA-N 445.497 0.882 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753358435 MZXFFJZORXICRE-UHFFFAOYSA-N 444.513 0.186 30 20 ICED COC[C@H](Cn1cncn1)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 756614143 NVXXXRAWEJRXSY-KRWDZBQOSA-N 433.490 0.809 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758472696 JEPUVUDGOVZIPX-WBVHZDCISA-N 436.557 0.987 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1=O 761397096 KCXYUHNKQJROKF-UHFFFAOYSA-N 447.425 0.765 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 764298938 NRQXZIMJAGMDFL-HDOZFUISSA-N 449.489 0.101 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncs2)c1=O 767883331 HNMFUPLVVXZAOW-UHFFFAOYSA-N 436.584 0.481 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C1CCN(C)CC1 767959693 TUJGAQNITKRZNI-UHFFFAOYSA-N 444.557 0.652 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486525 MLRPDUTXFJKTRH-CYBMUJFWSA-N 433.450 0.963 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCCSC)c2=O)cn1 772301045 VLLUFBUHESQFTO-CQSZACIVSA-N 447.586 0.614 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(CC)c1)c1cc[nH]n1 772658777 XJTRYGXUKMRNKX-INCQDFKNSA-N 436.494 0.242 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)[C@@H]3CCCOC3)CC2)cc1 780603327 CXFRXCOHBHIEOF-QGZVFWFLSA-N 441.531 0.584 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782244899 KRUHMQCWEPLQPK-UHFFFAOYSA-N 436.515 0.801 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C1CC1 782336173 OLIOOUMDNCQRFQ-SIXWZSSISA-N 439.465 0.301 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783880106 GYBSMOANEOANAT-JTQLQIEISA-N 433.450 0.067 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 793020432 JAZIDMWPYPRQCA-NHYWBVRUSA-N 445.451 0.925 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)ccc1F 797996667 XSSRHTDWQJUFJC-UHFFFAOYSA-N 436.469 0.330 30 20 ICED CCCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1N 808053666 FBNVIEDQXUTODD-UHFFFAOYSA-N 449.562 0.441 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)CC2)nc1 808219919 UCOKRIIVUJOYMO-FQEVSTJZSA-N 446.511 0.909 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 810172077 FBWIXQRNEPOSDQ-UHFFFAOYSA-N 431.470 0.718 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1286969140 OGLLGSNRPKOFBS-YOEHRIQHSA-N 434.522 0.961 30 20 ICED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCOCC1 1288673891 WNVISPGDHPASGD-KRWDZBQOSA-N 439.520 0.728 30 20 ICED CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294910226 KBUIDYNFJICDBJ-UHFFFAOYSA-N 425.541 0.997 30 20 ICED CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315163537 OGDBGVRMFWYJSM-GOEBONIOSA-N 426.543 0.776 30 20 ICED N#Cc1cc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)ccc1N1CCC(O)CC1 1318790717 LMZVHIAMSDNOMC-RDJZCZTQSA-N 446.529 0.493 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1360248360 PJXHIOBQSXCQKP-ZIAGYGMSSA-N 445.446 0.408 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1541804380 VIZCTRPVHVZJHX-KFWWJZLASA-N 429.568 0.743 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1541928187 XOPLSKNNQVRWSJ-ACJLOTCBSA-N 441.533 0.779 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617428772 OOZIUSSZIBIDMQ-MKTHODDLSA-N 442.549 0.591 30 20 ICED C[C@H](C#N)N(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 1659340840 YWCXNFZQYYPRSB-OAHLLOKOSA-N 434.518 0.667 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccn1C(F)F 1692787885 YJYVYPNMQGJMLO-BMIGLBTASA-N 432.432 0.970 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1723615988 CUTVUVOUZFIHQE-DLBZAZTESA-N 449.581 0.560 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747443751 MBZMGSYKWVTWTB-MRXNPFEDSA-N 430.538 0.456 30 20 ICED C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1751090175 YECNWYALAQMYKO-CQSZACIVSA-N 432.510 0.699 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118134 VQVHSVGBCVZSKD-JXFKEZNVSA-N 427.567 0.700 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107121 YGLVAAHDUHBOBW-HVHIPWAVSA-N 432.477 0.358 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1779336667 SNKHGRWSDVKAAJ-YUWJWYLASA-N 441.525 0.138 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1781244992 OGIFSVYIBLHINS-KZULUSFZSA-N 439.394 0.550 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793941 XMWKORSRCCFQCZ-ZHRRBRCNSA-N 427.505 0.904 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1782058785 HLIXZOKGGSVSQS-RXVVDRJESA-N 431.514 0.887 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782959932 BKMSMKJAECDUHN-WIYYLYMNSA-N 447.513 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(OC)n3)C[C@@H]21 1783530401 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30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)nn1C 1788676488 CJODVJRZYWNONP-FUMCDGHESA-N 427.505 0.963 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)ccc1F 1789907315 QKQQRNGQGVWHDB-QRFRQXIXSA-N 442.491 0.842 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078185 YLDFGYAUVHWWJR-NXOAAHMSSA-N 449.504 0.454 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1791279593 PFQSEVLGZLLVRE-KGYLXKDPSA-N 443.500 0.696 30 20 ICED Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791693954 SPZHWBDMRLJLBC-WZOKNAEPSA-N 446.504 0.717 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)N(C)C 1792701878 GZRDUEBCFLNCRK-YVSFHVDLSA-N 449.552 0.812 30 20 ICED COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1 1793263001 ZCOJOLCCOWCUQS-OPMZPASUSA-N 426.469 0.855 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793379879 FCAJVCHXLXOLTI-FSDCSDTHSA-N 441.575 0.643 30 20 ICED 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)CCC#N 1795416630 DRUPYEWFPRNNQV-OSBBLCOHSA-N 438.525 0.808 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797742061 CQZHYKPFAXRBIM-WABOFMEASA-N 439.560 0.762 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)c([N+](=O)[O-])c1 1799821717 SGTXGNOOKNTRTA-ZSBFGKGUSA-N 430.417 0.888 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800130956 TWOUCVKTIXHKEF-LJCCNALRSA-N 446.552 0.723 30 20 ICED C=CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1804012439 AETCUHKOTHIKCY-LVQVYYBASA-N 436.557 0.967 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)nc2)[C@@H]1c1cccnc1 1807917341 RIBRJEGBRGFXOA-JXFKEZNVSA-N 426.498 0.974 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813573778 IUJXMZQDSUHDHM-HKUYNNGSSA-N 449.577 0.804 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1814019149 ZSDLNDQSVNQNAP-IIBYNOLFSA-N 440.525 0.757 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4nc(CO)[nH]c4c3)sc2C1 1818156004 YSIZEFLFWIKVJI-NSHDSACASA-N 439.453 0.826 30 20 ICED Cc1cc2nnc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)c(C)n2n1 1818250833 BFYSFWZRSPLIIK-LLVKDONJSA-N 439.457 0.511 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1820893341 YILLCRBPAIIGLQ-AWEZNQCLSA-N 446.464 0.463 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1821595141 DIGBGMLWHPAJSE-SNVBAGLBSA-N 427.446 0.120 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801134 WZGCTPCIYHKEGK-NVXWUHKLSA-N 429.454 0.369 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1829751181 KYCRBGIMTKQPOZ-QGZVFWFLSA-N 427.552 0.569 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907666 OHLWVOJBNGPSKS-QFIPXVFZSA-N 428.489 0.083 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830575411 CRFPTMXCUACCRZ-XPJNUEMQSA-N 427.501 0.718 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830646121 RXLZPQMRDUTKER-QFIPXVFZSA-N 431.489 0.136 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831386658 BVNGFKMHMBIUBB-YADARESESA-N 439.512 0.986 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1831388524 UOBYWHOOSDAUFQ-MBSDFSHPSA-N 442.512 0.919 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831492244 JDVJHMNVBIUTIV-YLJYHZDGSA-N 433.534 0.754 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@@H]2F)CCO3)c(C#N)c1 1832128089 YOTCMAMSJJCCBU-DXIQSLLYSA-N 431.464 0.924 30 20 ICED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1833000142 JKKUBAGRZXNSMR-QFIPXVFZSA-N 428.489 0.783 30 20 ICED C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107348 AGAAUNVCMVBKJC-QGZVFWFLSA-N 425.533 0.807 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833146019 MENPPFPVNWEABK-UHFFFAOYSA-N 431.497 0.913 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833169351 OJSDGZRYARAVCQ-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834069241 AMSHDWHAUHDACA-WAYWQWQTSA-N 442.520 0.226 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1834376811 FIQDOIXLVAPKLW-ROZQTZPBSA-N 446.504 0.989 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1834450332 BQKNXYDZTZPVMK-JOCHJYFZSA-N 439.472 0.441 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1834760790 QZYKQXJHBFJYDO-HNNXBMFYSA-N 429.296 0.889 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918497 DZDVZESGMRRKHZ-JXHRLWIKSA-N 430.501 0.869 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835310120 MTPUJGMXHOESNN-XMSQKQJNSA-N 426.473 0.215 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1835342195 SWNUCKWYEROARM-JOCHJYFZSA-N 438.488 0.720 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1837397459 QKFXPAAWXYBIGB-JXALWOEJSA-N 445.560 0.758 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837481497 JQSCTWKFSOAFOE-HYFFOGBASA-N 447.536 0.307 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(F)(F)F 1837560176 RQOMEVAQOSWQCT-GNNTYVBISA-N 447.410 0.468 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835447 KIMFBYLGFHNUSW-HNNXBMFYSA-N 431.470 0.922 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474112 ACQOXBGDWWQMDY-QFIPXVFZSA-N 447.488 0.863 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1C 1839226544 AFECDRAYMPAAQW-IERDGZPVSA-N 435.525 0.853 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241651 WECFMITZCBGCRW-UWJYYQICSA-N 435.525 0.826 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1839364028 IHYIADSJKZUKGF-QFIPXVFZSA-N 438.488 0.504 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)CC1 1839762106 WPRJVJBTFVHLSU-JXFKEZNVSA-N 439.509 0.587 30 20 ICED COc1ccccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040348 WEHQUYBJXDUOSS-JOCHJYFZSA-N 430.457 0.172 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201743 GYHUJYJGEXSYMN-CJNGLKHVSA-N 441.472 0.076 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840904806 XURJIUHIJXFLEA-QFIPXVFZSA-N 428.489 0.485 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 16519430 ADGWEWFBLLNYQF-UHFFFAOYSA-N 445.339 0.767 30 20 ICED N#Cc1c(CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)nn(-c2ccc(F)cc2)c1N 409560055 AGRXZNIOWLXVLI-OAHLLOKOSA-N 433.469 0.457 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1C#N 435843818 GVNHAKGQQPSSJY-UHFFFAOYSA-N 441.492 0.797 30 20 ICED C[C@@H]1CN(c2ccc(C#N)c(N3CCS(=O)(=O)C[C@H](C)C3)n2)CCS(=O)(=O)C1 436379680 RIOKCABGTPUUQS-HUUCEWRRSA-N 426.564 0.695 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4ccccc4O)CC3)CC2)o1 436845678 UCDIKOKGBAEZCC-UHFFFAOYSA-N 438.488 0.667 30 20 ICED CN(CCC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 444034954 VNXFURSIZHPVAW-UHFFFAOYSA-N 437.522 0.921 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3nnc(C)n3CC(N)=O)CC2)cc1 444404040 KLIZYCNOPBKUHZ-KRWDZBQOSA-N 443.533 0.582 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@H]1CCOC1 461338851 CEHVBDNIKIECRP-CQSZACIVSA-N 443.500 0.899 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 465212629 FMYBVJVDFCOZMR-LBPRGKRZSA-N 435.535 0.738 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 487165582 VVMWWMCEALOBKP-HXUWFJFHSA-N 439.516 0.940 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1 488652351 GXIBSGBSJRFPQF-DHMKHTPVSA-N 431.522 0.997 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 494122288 BFJYBBQHVVGWLU-LXZKKBNFSA-N 434.518 0.557 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 498082695 SWSYIJNFCAOVFO-HNAYVOBHSA-N 436.940 0.979 30 20 ICED N#Cc1ncn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 499484156 HKIXMPIQPHTZQZ-UHFFFAOYSA-N 434.865 0.939 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(CC)S(=O)(=O)N(CC)C[C@@H](C)C#N 499495129 WYBPKDAZVPRRGD-HOTGVXAUSA-N 436.604 0.351 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc2c(c1)OCO2 512785299 GNTHAGILRAHJTD-UHFFFAOYSA-N 449.492 0.649 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)CC1 519565195 WITDOAKWQKTTJO-SFHVURJKSA-N 427.505 0.047 30 20 ICED C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H](C)c1cccc(-n2cnnn2)c1 521791850 GKXFKNHSMROMQW-AWEZNQCLSA-N 446.471 0.997 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 544166145 OJVJVZMIEHAIPZ-UHFFFAOYSA-N 431.493 0.191 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 551457394 KDSKRAYQASRVGV-UHFFFAOYSA-N 444.398 0.941 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cn4cccn4)on3)CC2)cc1 553268499 OCSOPUSWINUSEW-UHFFFAOYSA-N 426.458 0.938 30 20 ICED CCNC(=O)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 555567002 ZGFZCOSYSXYRJP-IBGZPJMESA-N 435.550 0.141 30 20 ICED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 559326412 LCXGMZRXJGOARK-INIZCTEOSA-N 425.580 0.471 30 20 ICED Cn1cc(C(=O)NCC2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 562097294 MNHZTADDCMLPNG-UHFFFAOYSA-N 444.517 0.239 30 20 ICED N#Cc1cncc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 570328761 WSHWCAXSJKYSHY-UHFFFAOYSA-N 426.451 0.914 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588871373 ZMUWQYYNIJRNAQ-GOSISDBHSA-N 438.488 0.396 30 20 ICED C[C@H]1CC[C@H](N(CCO)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 589261297 MTKDOCHHDSKVQK-HKUYNNGSSA-N 434.562 0.874 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603792366 ARRLELGPKYLRBZ-UHFFFAOYSA-N 429.498 0.379 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C 604270044 NPYNSAUUUXHKJQ-UHFFFAOYSA-N 428.514 0.036 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 604602628 CCUAGWUOBHAWSJ-UHFFFAOYSA-N 427.479 0.867 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)CC1 729282126 YRPXJTYLZVLXFZ-UHFFFAOYSA-N 426.546 0.826 30 20 ICED C[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742603325 HWVANZSGAOMEHF-MRXNPFEDSA-N 433.534 0.578 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC 744598296 WWHPWGBINFPLIQ-ZSEKCTLFSA-N 428.445 0.929 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1OC 746111766 NHACTJKDZORECE-MRCUWXFGSA-N 442.472 0.905 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 748225876 SYMJXYWRQWUXJN-UHFFFAOYSA-N 447.429 0.484 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 751045204 UXWQXAHQHPPUOZ-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(Cl)c2F)c1=O 758050145 COQPGUJGWJDETC-LBPRGKRZSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(C)C)c2)c1=O 758056521 WIVFCYMANYYSRZ-UHFFFAOYSA-N 437.521 0.692 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(F)(F)F)c(F)c2)c1=O 758068559 QNOPYPPDYBMIJF-UHFFFAOYSA-N 439.390 0.872 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 769164052 YAIXCJMQIRORED-UHFFFAOYSA-N 431.426 0.790 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 771074257 BPQWDFPEJOORJL-UHFFFAOYSA-N 444.535 0.832 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776753456 RLWRPDFSXCJLLD-GFCCVEGCSA-N 433.892 0.990 30 20 ICED NC(=O)c1cn(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779549437 TZXKVFYPFVWZAI-UHFFFAOYSA-N 445.505 0.059 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1CCOC 782602126 WFYUCJTZGYFMMT-UHFFFAOYSA-N 448.570 0.546 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@H]1CCCO1 785642675 HVVJSKPAEHALQS-IPMKNSEASA-N 426.473 0.940 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794607893 MQPUJXJMVQFYGP-OAHLLOKOSA-N 432.571 0.895 30 20 ICED COCCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 802406208 GNCYVOJKSSLQKO-LJQANCHMSA-N 439.520 0.611 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 808132048 BBIOOLVGLUVRIS-UHFFFAOYSA-N 426.498 0.188 30 20 ICED CO[C@@](C)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 812659353 HJTWLBBGUKBQGU-HXUWFJFHSA-N 435.502 0.749 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)N(CCC#N)c1ccccc1 914655879 RDNXYJJYTOLHMC-XYJFISCASA-N 447.513 0.901 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 917034319 HXAOOXCDJMMJOY-SFHVURJKSA-N 448.487 0.812 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C1CC1 917792013 SZQUGLYNKWTFIV-UHFFFAOYSA-N 447.520 0.967 30 20 ICED COCCOc1ncccc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 920597046 VKCRRNZZFHYFAZ-UHFFFAOYSA-N 429.433 0.781 30 20 ICED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 921218625 ZYJGWENZZDAANL-OAHLLOKOSA-N 429.495 0.649 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130080297 SVWHIHHCPXCQKG-BBRMVZONSA-N 432.864 0.845 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1299236800 PGOSAXWZHULQJL-GOSISDBHSA-N 437.504 0.780 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnc3n2CCCC3)C1=O 1318175279 GZTATZLEEIWHAR-AWEZNQCLSA-N 441.517 0.981 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1325013040 WXMVTNKJMMYRNR-UHFFFAOYSA-N 431.521 0.971 30 20 ICED N#Cc1cn(CCNC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c(=O)nc1O 1477962957 LXJVUODSHHJMRV-SFHVURJKSA-N 426.477 0.063 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1511362166 IYWIDBNUWBMICO-DOTOQJQBSA-N 447.521 0.092 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1516977124 WCTLIYMNAIYVHW-UHFFFAOYSA-N 445.549 0.072 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c(=O)nc1O 1641968186 UZNBUUQGKLKINU-NSHDSACASA-N 446.261 0.752 30 20 ICED CN1CCN([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c2cccs2)CC1 1677114908 NMKRJBHXWJGKJF-OAHLLOKOSA-N 431.522 0.170 30 20 ICED CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712695164 LJHVYFHAFDWOMT-IRXDYDNUSA-N 444.517 0.551 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1769488839 LKLJKVDWGFMTGO-KRWDZBQOSA-N 434.522 0.560 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779333047 UIYBTPLHSIRRLU-PMAPCBKXSA-N 431.533 0.935 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)nc2s1 1780331135 MWNIAFIZTHXSIM-HXUWFJFHSA-N 439.501 0.985 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1781044262 ZVPIHWITPWQDAK-XARGGIHNSA-N 425.529 0.736 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1781396555 RCPLSVHIQQRDGK-VFNWGFHPSA-N 442.476 0.334 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781791932 NJTYMYXDBVXAKS-OAQYLSRUSA-N 429.546 0.680 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860607 IQJRSZBRQFVAFM-ACJLOTCBSA-N 433.452 0.871 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010810 FTTSYBYETWWZIC-DCLXLUIPSA-N 439.512 0.645 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1782851332 YPBZXNDHYPTBKH-GCJKJVERSA-N 443.504 0.707 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[C@H]1CNc3ccccc3C1)CCO2 1783562097 BQMJMLBPBJXCFZ-UZUQRXQVSA-N 425.485 0.969 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1784483188 NZZZLYXHXQKZMH-UZSDIVCKSA-N 440.544 0.401 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc(=O)cco1 1786284951 WNRDBOURSHMILJ-WTHQAZKYSA-N 433.461 0.762 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)c1 1786693998 BMPMGYAJYUGWGN-JQFCIGGWSA-N 432.502 0.382 30 20 ICED CC(C)c1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)no1 1786857961 JCTBNYVNOOPPLW-ULQDDVLXSA-N 446.552 0.997 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)c1ccccc1 1787092849 ZWTMUNVCHOCOHW-TUFLPTIASA-N 436.516 0.850 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C)c1 1791079504 PCGSTDLMPDSHNM-SZMVWBNQSA-N 428.441 0.463 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)n1cncn1 1792148659 RWTMPOJPEDHJPJ-CAIZAGQASA-N 438.488 0.769 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1793312870 ZIVCKJHBINTYKO-UYTYNIKBSA-N 427.567 0.672 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c(=O)[nH]c1C 1794309550 IMJAVJFQCNLDDS-QEYORNDXSA-N 447.492 0.119 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799149003 LUAVPKGJLAFPAQ-HSHRSBJYSA-N 434.537 0.778 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1799390434 RQDOWFDWECOHHH-ZXFNITATSA-N 436.534 0.868 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nccnc2C(N)=O)C3)c(C#N)c1 1800033483 YRRRGNSXIRSRGX-BJWYYQGGSA-N 448.483 0.950 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1cnnn1 1801440201 VZBGDZYAJKFNGV-ZSKVKKPNSA-N 427.440 0.077 30 20 ICED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)c(=O)nc1O 1801971511 OEPLOVYSNHXLAM-IZZQQSIFSA-N 437.456 0.032 30 20 ICED CN1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)C1 1801991702 ICQRBKAHQKEMBQ-NXWNEQKCSA-N 426.517 0.868 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1803548325 JZOCRUGYVRRFIU-QSOKESPWSA-N 432.477 0.190 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]1c1cccnc1 1812645036 FQWWRLJJLHKAHZ-LESYIBIPSA-N 427.505 0.470 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3snnc3c2)[C@@H]1c1cccnc1 1812877518 KCAXFPLAZRFIOZ-FZKQIMNGSA-N 436.453 0.889 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(n2)OCCO3)[C@@H]1c1cccnc1 1812878475 IMEKUMLCABTFJY-FOIQADDNSA-N 436.424 0.655 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819394571 OTXNXIQYXCIMGU-TZUJUMENSA-N 447.540 0.524 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)[nH]n2)c1 1820306356 CCLWZIDPRRGUAG-HNNXBMFYSA-N 446.431 0.960 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1826894287 KZDWXVGZLFDWMH-TZIWHRDSSA-N 449.596 0.539 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CSC)C2)C1 1829762353 HCFDHJRESNOJGD-NGXITPROSA-N 439.578 0.690 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902661 XLOAHIRQNMOYPT-UZUQRXQVSA-N 442.516 0.424 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830062750 ALGGNSZENDIKPN-UKKYDJSUSA-N 445.472 0.823 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1831396356 KQKXKPDNGNEVKX-SLYNCCJLSA-N 440.562 0.741 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1831670337 SNRILERCJMZZIT-INIZCTEOSA-N 448.501 0.159 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1833468025 JDCYWMPCSSZFTD-QGZVFWFLSA-N 434.537 0.439 30 20 ICED CC(C)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1833698054 ONASFJZRKKUOQA-UHFFFAOYSA-N 432.565 0.766 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006374 LSFFUGIDHCBSPS-UZWDYZERSA-N 432.477 0.681 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593962 KSSCGHLNDXKXIL-RJGDLVSHSA-N 449.460 0.239 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3snnc3C)CC2)CC1 1835179853 ADMGVOWXTSASDE-PLNGDYQASA-N 446.577 0.890 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835341336 XLWUMEGTACVPIQ-HSZRJFAPSA-N 442.516 0.892 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1835674110 FSZBBBZLFMAEOZ-NRFANRHFSA-N 448.545 0.912 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1835781684 JDSLVKHRHWLWGZ-BRABVMKYSA-N 429.521 0.406 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835881280 PBLAGLJMAKSEBV-ZMZPIMSZSA-N 437.547 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836861652 ZSQFBSAPEAWJRS-WOJBJXKFSA-N 448.608 0.659 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1837392275 AAYRSODSQRTEGX-PGRDOPGGSA-N 434.537 0.301 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486826 RCTNNDOZMOENTI-QHCPKHFHSA-N 444.532 0.497 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cccc1=O 1838950172 GODSTITUTBDFLH-HSZRJFAPSA-N 436.468 0.641 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839104820 KSEPRJFPFNTPIL-FXAWDEMLSA-N 444.523 0.290 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1839176445 PEJJIHMXBHYYMV-OXJNMPFZSA-N 444.550 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538167 WHSYHJYMCRNYLS-VGOFRKELSA-N 426.473 0.443 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c(n3C)-c3ncccc3OC4)C2)C1 1839807447 AWBDHNDQPJHUAO-QHCPKHFHSA-N 436.468 0.683 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(N)=O)CCO3)cc1 1839861119 GMCNDAKHAVEZMA-JOCHJYFZSA-N 428.489 0.213 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840157814 BLSHFNDHIFMWMW-CKJXQJPGSA-N 439.578 0.552 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)cc1C#N 1840763044 DUXIADFAWYXJJA-QHCPKHFHSA-N 444.532 0.977 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)CC1 1845137945 YMEJIDGFBZSZCO-UHFFFAOYSA-N 448.524 0.399 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)cc1 26158168 ORPVBDLHPJYVLW-UHFFFAOYSA-N 433.490 0.571 30 20 ICED COC[C@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 433964771 MDGTXNFVBLDWCI-FQEVSTJZSA-N 436.534 0.653 30 20 ICED N#Cc1cccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)c1 435053754 VTXLXGCOBNJSOM-UHFFFAOYSA-N 428.470 0.815 30 20 ICED N#C[C@@H]1COCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 461839794 BESFIEIKPPLGES-CQSZACIVSA-N 434.474 0.520 30 20 ICED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465122364 PDNNLWOWFHQVGF-AAEUAGOBSA-N 433.494 0.357 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3F)c(=O)n2C)CC1 477192762 VKCKVNYXEHZFIJ-UHFFFAOYSA-N 445.476 0.161 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 481156661 SJENQDZNYUQFBM-PBHICJAKSA-N 444.517 0.753 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2ccc(Br)s2)C1=O 482977453 LHDWOSUWBUKISL-UHFFFAOYSA-N 430.280 0.808 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 491070030 QQPUXPVBBCNPIS-UHFFFAOYSA-N 449.511 0.327 30 20 ICED CS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1C(F)(F)F 499491890 KTYVDRMOZLUFFR-NSHDSACASA-N 427.426 0.668 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 523182267 CRNPADQMJFKXRV-UHFFFAOYSA-N 449.492 0.626 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)C1=O 523706155 GQOHFQJFYWZKBQ-UHFFFAOYSA-N 437.474 0.294 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 535551384 UIEONFUMWNGFOX-DBVUQKKJSA-N 442.541 0.977 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1=O 560675075 JTSFAMHCRMRNQQ-HXUWFJFHSA-N 444.532 0.259 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 610808575 LCVYHGHCYSRVIS-LBPRGKRZSA-N 434.499 0.462 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 619835218 GFASMCYUCZDDAW-UHFFFAOYSA-N 447.517 0.404 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H](C)c1cccs1 726584288 PZEPDANXXCBZRA-CYBMUJFWSA-N 443.554 0.580 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O 727162647 QAQWQVQVSWKGSS-UHFFFAOYSA-N 428.562 0.013 30 20 ICED Cc1ccc(OCC(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732467416 UZUGYSPLWRQCIG-QZQOTICOSA-N 441.488 0.754 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745435075 XYLKNRGSJQKKTD-LBPRGKRZSA-N 425.463 0.106 30 20 ICED COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 750815021 MWNCMAAEYXPXTG-HNNXBMFYSA-N 427.454 0.521 30 20 ICED CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759497085 OJDZLYRWKMTGSZ-QWHCGFSZSA-N 449.476 0.845 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCO[C@@H](c5cccc(C#N)c5)C4)CC3)ncnc21 761761042 AXBBLCAKHUOUJK-HXUWFJFHSA-N 446.515 0.957 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)c1 767212224 RFNXUFFORRJDFY-UHFFFAOYSA-N 436.467 0.952 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637849 CMLAVVIDJMMDOD-UHFFFAOYSA-N 441.557 0.489 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)Cn3nnnc3CNC(=O)OC(C)(C)C)CC2)o1 769857821 YJFAVVUHOJEZJL-UHFFFAOYSA-N 431.457 0.215 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1)c1cc[nH]n1 772269288 ZGFYHUMANUULCC-HNNXBMFYSA-N 429.481 0.831 30 20 ICED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@@H]1CCCO1 775332922 UJVSMXOPYFJANX-IRXDYDNUSA-N 438.502 0.635 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 781050588 XVDBQKIWUZDYBE-SJLPKXTDSA-N 425.470 0.900 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 785394278 WLLIGUDCJHIWSK-LJQANCHMSA-N 437.474 0.478 30 20 ICED C#CC[C@]1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 788281459 MPPVRDWRDDFLMG-JOCHJYFZSA-N 432.521 0.729 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1=O 793473924 GNNYSZBUVUYNJH-STQMWFEESA-N 426.445 0.769 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 794582656 XEPOLKKDVSLXOK-AWEZNQCLSA-N 429.498 0.459 30 20 ICED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(Br)c(S(N)(=O)=O)c1 797402456 BVQUVKXQSKBFOY-UHFFFAOYSA-N 426.256 0.678 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1=O 798546498 YXQRWQSQWLFVJX-NVXWUHKLSA-N 447.513 0.869 30 20 ICED C=CCN1CC[C@@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1=O 798602311 QILCLHCCMXENFI-GDBMZVCRSA-N 434.470 0.954 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799584088 BHLWCWYDAGIJOS-NXVVXOECSA-N 443.432 0.069 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 913174158 XSTZHYXVFNVBSH-CYBMUJFWSA-N 437.474 0.180 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccc(O)cc1 917207342 WONPFQGNVDXUBK-UHFFFAOYSA-N 430.486 0.757 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)o1 919034050 KKNWOWUMJURYBY-UHFFFAOYSA-N 427.460 0.423 30 20 ICED CN(C(=O)COC(=O)c1cncc(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1)C(C)(C)C#N 919346090 AHKSKLQMAHCXFM-UHFFFAOYSA-N 443.460 0.916 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 1115833189 LOVYPBJOWFTIJZ-AWEZNQCLSA-N 427.548 0.836 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1288214371 YDYLLYQQEALDOS-UHFFFAOYSA-N 437.508 0.952 30 20 ICED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(=O)nc1O 1294885337 RUVZBRLIAINYLJ-LBPRGKRZSA-N 426.351 0.687 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539803949 OZNBJPXWPQSDTL-KFWWJZLASA-N 449.961 0.604 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1541935472 ODNSEHXLGRFYDJ-WMLDXEAASA-N 426.543 0.560 30 20 ICED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1552682500 ZSEJNIFOHIHPJZ-UHFFFAOYSA-N 439.520 0.980 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CCN(c2ccccc2C#N)CC1 1631461902 RLCJMAZUTJGVFK-UHFFFAOYSA-N 435.550 0.477 30 20 ICED COCCN(CCOC)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1670211534 NEDHENYCCBWHIO-UHFFFAOYSA-N 448.549 0.910 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1748053097 ODYBFWGOAGAFBM-PXNSSMCTSA-N 430.534 0.507 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(=O)NCC2CC2)cc1 1750382857 LOVNAIJALIIIJT-UHFFFAOYSA-N 437.504 0.814 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1760374984 ZXMZGBSVRFLNNG-RHSMWYFYSA-N 431.946 0.980 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1766877801 HNKQSEIBMFYOLQ-QGZVFWFLSA-N 425.493 0.338 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1767435031 LFWJEXPQBBLOKM-IBGZPJMESA-N 440.570 1.000 30 20 ICED O=C(O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105256 JNVJEQFVYCOMQU-HFIMWOPNSA-N 429.495 0.163 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105597 FRCJOEWANUHALR-KPSNGJBRSA-N 444.488 0.758 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1779139024 JIDZFFWJIWTJNQ-KQBANSRISA-N 429.433 0.103 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779323893 VIUQSLFJPJSBEP-PEOGOYOCSA-N 438.569 0.781 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779440095 MAOPAXUXVXAYIW-CUKRGZBSSA-N 432.477 0.665 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1781309390 WSIRIORVFUVWFN-RTWAWAEBSA-N 436.509 0.804 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728469 XLULOPMUSGEYFH-GAJHUEQPSA-N 426.517 0.252 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783444005 NKBZOEYWOAEZKG-ACRUOGEOSA-N 426.517 0.997 30 20 ICED C#CC(=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 1783475576 FYXDHWCSROGJIN-SVQXRNPESA-N 433.505 0.331 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCn4cncn4)C3)C2)ccc1F 1784343077 VWYNRCZPEPWYDT-OAQYLSRUSA-N 426.452 0.752 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1785572482 LEYUEOIMLSQOMS-ZHRRBRCNSA-N 445.520 0.780 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3CCOC)[C@H]2C1 1787627687 CYLNPCPNFHLYIK-CAMMJAKZSA-N 434.537 0.696 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CNC(=O)O5)C[C@@H]43)c2c1 1790328256 JLRWXCNJLHJMNG-CSFVBSKPSA-N 438.444 0.136 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n(C)n1 1794343922 KXBVGOFKOJSTCT-CWPLJXCYSA-N 430.505 0.331 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1795418055 ZZHMIUXTXWFJBO-IIZPIQPGSA-N 426.517 0.781 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796334726 NFNWWGBLDYTHGA-HIRMHNASSA-N 445.520 0.458 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c1 1796343099 BJCISNORNGJMKZ-HGKCTWBKSA-N 437.456 0.595 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c1 1796346794 AFFQVQGNVHCKRX-XOIINTDNSA-N 439.428 0.285 30 20 ICED CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797808376 CUVNJKYOAFPHHJ-JBXAFTOGSA-N 445.520 0.880 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)c(O)n1 1798731232 MUISUMFRKXLGOW-HBCWATKFSA-N 442.472 0.903 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)n1ccnn1 1799885639 VRGUVLWOGFDFRU-LJGDNWOOSA-N 434.460 0.490 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800206166 IRBKPLFREGHVJG-UGNRZPKXSA-N 426.517 0.983 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c1 1800393161 RXNDHXAMXYQAAW-NBMJBFSESA-N 447.513 0.347 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCC12CN(C(=O)OC(C)(C)C)C2 1800709700 DJNQTSOUBLNHBL-ZMMAXQRCSA-N 447.532 0.483 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)cc1 1800987151 JKISJJDUJWSICG-RACNMONISA-N 449.573 1.000 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995816 SNWIONISBCCFPZ-CWPLJXCYSA-N 445.545 0.011 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC(=O)OC(C)(C)C 1802120306 INWKPBYFRUTEFL-VXIBKDFQSA-N 437.537 0.919 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1803450121 BZQDZQOXBQPQNG-SIKLNZKXSA-N 444.557 0.926 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1807193854 HUXRDRBJUUIUFX-IIAWOOMASA-N 427.427 0.799 30 20 ICED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C3)CC2)c1 1810488161 NZSMARWAOHEECQ-UHFFFAOYSA-N 446.471 0.843 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1811532733 KOOYMFIGDMHONS-HTAPYJJXSA-N 446.467 0.916 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812342847 GBWPVNMDFCCFOF-WFXMLNOXSA-N 439.516 0.917 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812587852 SHFXWEFVIGIMAX-DHSIGJKJSA-N 436.476 0.739 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnn2c1 1812879609 CJMCZKWNNRWKLI-OXJNMPFZSA-N 432.440 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1 1814438209 QTWQTECUCRJGPQ-IDTUSYRASA-N 425.449 0.657 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]cnc5n4)sc3C2)CCC1 1815335697 KXVROTLRXFVCNZ-JTQLQIEISA-N 438.473 0.794 30 20 ICED C=CCCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(O)n1 1817061019 LGWXVYVHRZVXTJ-JSGCOSHPSA-N 430.534 0.874 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817294487 AMAJKNJOMNGPQI-XQGSKJQDSA-N 446.512 0.771 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819769639 CDLJJQFSWKUOKH-NLTBIBMSSA-N 447.521 0.079 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1822027337 JYSKSBWTHRNITB-UONOGXRCSA-N 426.502 0.833 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1826933682 PQJKSFYPQZXYDX-VQTJNVASSA-N 446.592 0.898 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCN2C(=O)OCc1ccccc1 1828665222 QRBBZYDDXHBWLE-JOCHJYFZSA-N 436.472 0.514 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630209 ZCEDEPNUGWFHMO-JOCHJYFZSA-N 438.488 0.390 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1829895574 ACHFPSZBBIWOSN-XXBNENTESA-N 440.500 0.083 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352927 UQKFPDLZKYLMIV-MONBJTKQSA-N 445.516 0.198 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833677365 GFPMWTSSMMZBOY-QKKBWIMNSA-N 434.468 0.535 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)CC1 1833785109 IPLJYSIUVYBRKT-UHFFFAOYSA-N 429.481 0.667 30 20 ICED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1834406750 KOUANKWPSXHTKT-PIUNUONSSA-N 432.525 0.445 30 20 ICED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834714639 DIUCGXSENHOAON-UHFFFAOYSA-N 430.557 0.282 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835167385 QRGCRYCOGPYALX-GAJHUEQPSA-N 444.484 0.453 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835364657 DHAQLIYPYKTWJH-JOCHJYFZSA-N 428.489 0.762 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731496 UPYYBOFWBNWXTH-ZDSQJECRSA-N 448.612 0.897 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1835990515 UACZBMIHOVMCOF-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1837209628 XVMJJIVAOXGECJ-LLGFUMIMSA-N 439.509 0.276 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1837394531 CIVNBCNZQXDCNP-VGSWGCGISA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1837396406 CUNGEEDZYWKVBL-FHJLPGHOSA-N 446.548 0.912 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837399075 NBCGDENZHKCXEN-XXBNENTESA-N 442.516 0.977 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837441865 HSMXZPKTWYCVLU-ABUVZIHVSA-N 436.509 0.034 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1C 1837443858 SKZVCXMKROWJAX-IGPUNGKJSA-N 431.537 0.875 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837488555 JVHQXKADOXBDCA-JOCHJYFZSA-N 428.489 0.245 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488734 NWCXBIQZTRJRED-QHCPKHFHSA-N 429.517 0.794 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1837677963 KYSVYQVAJGIPSK-LLGFUMIMSA-N 440.541 0.549 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CSC(=N)N)CC2)CC1 1837826165 GARXRJINMIMFAY-UHFFFAOYSA-N 438.598 0.894 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1838043128 GEGGUKATKGHOOG-YVABFXQFSA-N 443.504 0.765 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420168 SLVQCYPUNVSEBU-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839785681 YXPLJTKPUZMDPK-YLJYHZDGSA-N 426.535 0.214 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839887661 FDHHOHXZUFFAGE-FQEVSTJZSA-N 444.523 0.292 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840157623 VYXPUKZKABTRRA-DLMMLCEKSA-N 447.557 0.634 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840161894 FCFIYBRNWCZFGS-SGTLLEGYSA-N 438.531 0.144 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840172392 KMMXFRNVJDFZFH-NRFANRHFSA-N 436.530 0.883 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384549 ATADXCNLKJKYTR-VCOZGABYSA-N 446.552 0.591 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624047 CQJFTNHPFOXRAI-AWEZNQCLSA-N 436.513 0.445 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1845137903 TWXQKZHUSNWFTH-UHFFFAOYSA-N 444.488 0.819 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1)N1CCN(C)CC1 1845582239 IFSYIWTUPPSRGT-INIZCTEOSA-N 435.532 0.887 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 409531435 UICBRSMCLKSLEW-UHFFFAOYSA-N 427.502 0.489 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)n1 430222062 TUKUQZVNNAOVBS-OAHLLOKOSA-N 426.452 1.145 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCC1 430985031 QWVUQRYHIYDAFN-UHFFFAOYSA-N 428.470 0.809 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434997426 ZZPNSRIDQVACPP-UKRRQHHQSA-N 438.506 0.709 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)s1 435423843 SJLQWISRHXERHU-UHFFFAOYSA-N 441.512 0.742 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 443674664 MTLGOTXROIZQPS-UHFFFAOYSA-N 446.579 0.568 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 462017293 WEZPWBLMFBTCHJ-UHFFFAOYSA-N 436.480 0.966 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 462103095 PJOVLFUNJYCCLT-UHFFFAOYSA-N 436.476 0.746 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C 467296128 ZCWWFMYLEXOACQ-UHFFFAOYSA-N 439.520 0.512 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 474344312 IMWJTWROFATKRX-MRXNPFEDSA-N 444.557 0.694 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 478840450 AKMNYPUMQLWQAK-UHFFFAOYSA-N 426.502 0.753 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCO[C@H]2C)cc1 485166933 KDMBSIICSKAOGA-YOEHRIQHSA-N 425.507 0.430 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)CC1 489029090 YDUFJSPGJWKRGK-AWEZNQCLSA-N 438.509 0.750 30 20 ICED C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 499671980 VXWIMVBUSSCBHV-ZMSDIMECSA-N 430.548 0.224 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500886408 GHKRKEFMGVWTTA-UWVGGRQHSA-N 439.266 0.832 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1CCC#N 504062444 WIWJTEAMKUUXCD-LJQANCHMSA-N 449.515 0.993 30 20 ICED COc1cc([C@@H](C#N)NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc(OC)c1OC 505527261 SGMJGPPHERMQKK-CQSZACIVSA-N 441.444 0.446 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 505657162 CPDSPIHSCBBAGB-LSDHHAIUSA-N 428.514 0.097 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(CCOC)c2)cc1 506879892 YEIYDRXRCBDIEH-UHFFFAOYSA-N 435.506 0.591 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C 508425500 JGSGKWBYHCGQHD-LBPRGKRZSA-N 446.493 0.872 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cn1 508653703 LITTYIQUMVXKRR-AWEZNQCLSA-N 437.382 0.457 30 20 ICED C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 508798534 UNMGZFLAMQFPMZ-HXUWFJFHSA-N 439.564 0.780 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509167921 UZFYOZWRKALDGQ-XHSDSOJGSA-N 434.588 0.246 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 509255804 QSZPOBVYLNHKCW-UHFFFAOYSA-N 430.450 0.965 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2-c2ccccc2)CC1 514305703 DMRHSLWKHBBFMY-UHFFFAOYSA-N 445.548 0.961 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 518067611 YTGPQUJRVAQSJR-UHFFFAOYSA-N 432.452 0.235 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)C1=O 523410748 VYINDBQHRCTAIQ-UHFFFAOYSA-N 428.445 0.021 30 20 ICED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 538592495 DLNLJQJDSZEKRW-UHFFFAOYSA-N 438.550 0.586 30 20 ICED Cc1nnc([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 546103496 CPNCACWGHGKLIC-ZDUSSCGKSA-N 434.547 0.902 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 550777519 FVJPZMMNKLSMJA-UHFFFAOYSA-N 439.441 0.536 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)c2nccs2)CC1 552869669 RNOKAZSCIMWKNE-GOSISDBHSA-N 427.530 0.795 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 561630536 UADAQQFISWHYDI-LBPRGKRZSA-N 430.900 0.698 30 20 ICED Cc1nsc(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)c1C#N 567432383 RVOBDTSTRRXKRK-UHFFFAOYSA-N 444.521 0.733 30 20 ICED N#Cc1cncc(S(=O)(=O)NCC2(NS(=O)(=O)c3cncc(C#N)c3)CCC2)c1 570889896 XPIVNAVPWXUERF-UHFFFAOYSA-N 432.487 0.399 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 577252146 SFGZJPCYYRNWER-GOSISDBHSA-N 427.486 0.539 30 20 ICED CC[C@H](O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 583517636 GJFOIUZDCQAHDB-MSOLQXFVSA-N 431.512 0.697 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 587654953 VTFUPDGWGGYWFB-UHFFFAOYSA-N 444.499 0.654 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 603581386 YFBZEGRTEDXHST-NTDBWNAOSA-N 429.587 0.401 30 20 ICED Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 608868083 VJPYFZDOEMYVDY-UHFFFAOYSA-N 436.515 0.417 30 20 ICED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611429051 OFLBODAYUUSOHX-FQEVSTJZSA-N 430.528 0.288 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)n(CCC#N)n1 615307093 MOQICUGOYTVNQJ-SFHVURJKSA-N 434.460 0.700 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1=O 623229724 UEGKCGUNIPLFIA-UHFFFAOYSA-N 432.502 0.622 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)COc3cccc(C#N)c3)CC2)ccc1=O 727772664 IPJIDHHXKSVYIJ-UHFFFAOYSA-N 425.445 0.032 30 20 ICED CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737295120 RVUJBOBWFDABGY-JWGURIENSA-N 438.506 0.897 30 20 ICED CN(CC(=O)OCC(=O)NCc1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 746556664 UFKVKWWFPCBGHN-UHFFFAOYSA-N 426.454 0.799 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)cc1 746812533 DWNPKPIXZFZSLO-CGUCZKFASA-N 449.533 0.552 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 752404007 ICWKJYLPTNZNMW-UHFFFAOYSA-N 442.476 0.512 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CC(C)C)c2C)c1=O 758066646 AAAXWPPFSMWGKQ-UHFFFAOYSA-N 440.569 0.883 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)c1 777511845 RQAHYZCVYCMAPF-UHFFFAOYSA-N 441.575 0.778 30 20 ICED C[C@H](OC(=O)C1(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)CC1)C(=O)NC1(C#N)CCC1 785334322 AGCJTHKSBIQWRO-KBPBESRZSA-N 430.461 0.755 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1 787649412 CMIFWLWERIYBGE-UHFFFAOYSA-N 431.426 0.837 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 787789989 HUWDGCMEWBRVEM-UHFFFAOYSA-N 442.501 0.338 30 20 ICED C#CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCCC1 788050091 PKFNOJYUIIXNLY-UHFFFAOYSA-N 447.561 0.054 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H](C)n1cnc(C#N)n1 798822586 ZJUQSANQZGGGIB-GFCCVEGCSA-N 435.400 0.634 30 20 ICED C#CCN=c1nc(N2CCO[C@H]([C@@H]3CCCO3)C2)[nH]c(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 804544050 FMLOLNVCVHPONE-QGFMHUBQSA-N 444.536 0.107 30 20 ICED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)cc1 807586612 NDMLBNGSEFHGIE-LJQANCHMSA-N 432.484 0.832 30 20 ICED C[C@@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccc(F)cc1 815260773 UWHNHYCTXWBSCK-KGLIPLIRSA-N 426.470 0.920 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(CO)CO)c1 821571525 SKPFXYJOPICFCT-CJLVFECKSA-N 440.522 0.078 30 20 ICED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 915386600 PDDLDIJBGBYMJT-UHFFFAOYSA-N 442.475 0.228 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(CN2CCOCC2)c1 918623140 QQROBTQPIVPFHH-UHFFFAOYSA-N 428.514 0.874 30 20 ICED CNS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1299306999 YEOKKQMTLFFGMY-CQSZACIVSA-N 429.506 0.715 30 20 ICED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1302370376 NNMJHWDXWOFDQM-UHFFFAOYSA-N 434.522 0.581 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1315067899 SFQTYBWAEHAGRR-KRWDZBQOSA-N 445.549 0.679 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1505141072 YSEJQBULFPNKAG-HXUWFJFHSA-N 446.533 0.486 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C 1510067245 XCINGQDKABEIKJ-GDBMZVCRSA-N 425.559 0.301 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1516023678 LXFBOQYPQZFFNG-YLJYHZDGSA-N 446.533 0.486 30 20 ICED CCN1C[C@@H](c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2C)CC1=O 1519542336 GSPLKHCBJZYSLK-INIZCTEOSA-N 443.533 0.533 30 20 ICED COc1ccc(NC(=O)NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1643944586 VQRWPAFGLDYRJK-UHFFFAOYSA-N 425.445 0.909 30 20 ICED N#Cc1cn(CCNS(=O)(=O)Cc2ccc(F)cc2Br)c(=O)nc1O 1664544653 WLYVKHVDYMTRHO-UHFFFAOYSA-N 431.243 0.842 30 20 ICED COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729982218 NHPPBMNTIVGFCK-GDBMZVCRSA-N 434.522 0.982 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C1CC1 1747193858 OIWSWVVIQUEYNL-HNNXBMFYSA-N 439.524 0.718 30 20 ICED COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063142 QBQOQMUCBLGKHR-JOCHJYFZSA-N 431.489 0.963 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1ccccc1=O 1779102774 IYBTWETVTLJOJX-QDMNVLIFSA-N 446.504 0.768 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137111 REWYZEQXSRDOSM-UKKLRFBMSA-N 429.477 0.685 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779375156 BPTNMQXDZGGQLJ-DYESRHJHSA-N 440.610 0.967 30 20 ICED CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1779831805 NAIWTIICVCVUSP-HVHIPWAVSA-N 433.509 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cncc(O)c2)C1 1782039155 SCNNBALTMPQISZ-RAUXZBOGSA-N 428.489 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783665741 COSOXSVTQUAEQH-AVRDEDQJSA-N 442.553 0.459 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccc(O)cc1 1784013472 DOSAUTSROPADGR-JTSKRJEESA-N 427.505 0.202 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1784147231 IZKLNVJHMLNZHU-OPAMFIHVSA-N 449.504 0.551 30 20 ICED 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 1785574398 IVKBRVRVIBMMAR-ZMPRRUGASA-N 448.520 0.012 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n(C)n1 1786027359 KESTUKAGIQCQGU-FIZPHTSVSA-N 433.509 0.851 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c4nccc-4c3)[C@H]2C1 1787329112 BLECZQAVQGLHIS-UOSUDSKPSA-N 437.500 0.966 30 20 ICED CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n1 1787669165 MBUVCHOUPIXGLC-GYUYVIAWSA-N 431.541 0.924 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1788659018 FVPKCFCJINGACA-AGBRKEKVSA-N 449.464 0.010 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788721774 OQQQTXQLFJEPKC-OWSLCNJRSA-N 431.541 0.176 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=C)CC(=O)OCC)C[C@@H]21 1789892118 KCZSPLQHDXSDIP-BZSNNMDCSA-N 436.505 0.985 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789952838 UWXOENSCVXXSNU-VGWMRTNUSA-N 429.539 0.673 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1791260598 XVAIJHRHDMVBMI-CWVYHPPDSA-N 444.598 0.527 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 1792258138 TYWQIJMKEBKZSQ-FJIDUMEYSA-N 437.537 0.919 30 20 ICED 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]1CCCN1C 1793642588 OWMGNBVKNIJAFT-MTHXSQLBSA-N 448.564 0.587 30 20 ICED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795976897 BGBDAWYXRWPRPR-QHBPRCKVSA-N 449.393 0.916 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)c1 1799150248 HMGCLFNJKYRMDD-ISIBIEBGSA-N 425.489 0.491 30 20 ICED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239684 GMLIBOMDPNTEQY-GLNSEAPUSA-N 447.557 0.858 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl)C(=O)O 1799749303 OKJJCJOAQCPZME-VLWCASSMSA-N 434.880 0.478 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800231715 AITHQVUPAVMHPK-IOOFMRIOSA-N 441.481 0.667 30 20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778833 SLNIDRDJHJQTLP-SPCJURDBSA-N 449.504 0.357 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1802488387 VSVPINFHGHECPX-BDGDHSELSA-N 436.472 0.343 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1 1802500251 YIMSNTSCIDYSCL-VPVLLMPFSA-N 437.504 0.628 30 20 ICED O=C(COCCO)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1808612602 GUFJTLGOEOHVOM-DXFJERJXSA-N 434.493 0.625 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1814052415 UMUJVFIIQVXNFY-GBESFXJTSA-N 427.505 0.932 30 20 ICED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815249332 SBYFHSWZNUVFBX-MAUKXSAKSA-N 427.571 0.643 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)ccn3C)sc2C1 1821305224 NNTUOOUXKHPDKT-FMFIFOJESA-N 441.513 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)n3cnnn3)sc2C1 1826966204 LXORVQLQNCZXAD-QHDQMSKJSA-N 430.494 0.161 30 20 ICED Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1830917130 JIECNGVRWMYALX-QHCPKHFHSA-N 443.548 0.671 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831112571 KQFBCMSLGKHSKL-QFBILLFUSA-N 440.500 0.908 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831188274 LQIWMMORBMSGSP-AOMKIAJQSA-N 428.489 0.543 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831596705 RJKHWPBCJMLZRI-HXOBKFHXSA-N 442.516 0.459 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832408280 YOLSBJOZKLVIPH-XXBNENTESA-N 435.565 0.602 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832589977 APGITGJTSREGBO-QFIPXVFZSA-N 431.558 0.976 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(-c4cccc(F)c4)n3)CCO2)C1 1833354337 ZCNCBHKZVXWCSY-VLIAUNLRSA-N 449.508 0.795 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833427272 QQVKWJWZJBREGV-LIRRHRJNSA-N 445.589 0.774 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(O)n1 1833699354 ZXUJASZPZBUFCF-OAQYLSRUSA-N 442.476 0.408 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1833706780 PEMWZAAJIYLVOM-IBGZPJMESA-N 440.610 0.628 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1833900874 DNXXKVHSSDKFPR-HXUWFJFHSA-N 428.449 0.324 30 20 ICED O=C(Cn1cccn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834882277 RQULBPBPLIWICH-ZHNJOBQTSA-N 446.552 0.984 30 20 ICED C[C@H](Nc1nccs1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835105847 KFLFNBDNBHBWNI-AWEZNQCLSA-N 433.534 0.603 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n1 1836062254 JRALKMZGCFEEDA-HSZRJFAPSA-N 437.500 0.799 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190656 UJKVFIKLSQLMJD-DEOSSOPVSA-N 441.528 0.779 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971797 HQKKUDGIIPQIRV-HRAATJIYSA-N 449.508 0.537 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837399073 NBCGDENZHKCXEN-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnc1 1837440823 ZXAUWNRQWBJFBI-YGOAVPTMSA-N 432.525 0.372 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489896 XSDQNXNTPMBYIK-HSZRJFAPSA-N 444.532 0.118 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837701124 CZRPPZXQFBKJNZ-GAJHUEQPSA-N 440.500 0.513 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1837955405 PONJSKFLVIMODI-SGCYSOCQSA-N 445.520 0.632 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)nc5cccnn45)CCO3)C2)C1 1838499166 TUKXDZWKSRQOOP-QFIPXVFZSA-N 439.472 0.126 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c1 1838578886 RJYWSQMOJYXQEW-QHCPKHFHSA-N 442.516 0.733 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccn4C)C3)C2)c1 1838580450 CTUJKTNSXYWCLZ-QFIPXVFZSA-N 439.472 0.684 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1 1838907566 ZHPBLMSWDDCAHG-QFIPXVFZSA-N 437.456 0.741 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1839174933 FJWKDVYMQNUMTK-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1839174967 GNMJMQXTSCBRNB-KEXUJGGDSA-N 449.548 0.292 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1839176137 XVOYBPZHICWDFJ-OXJNMPFZSA-N 426.535 0.848 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186701 JUISXCLSGOCKNK-NRFANRHFSA-N 442.451 0.139 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839228857 QYAMKHOMHAJHSS-ZHRRBRCNSA-N 446.504 0.656 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1839761939 KYDPUSVRSGXSQL-QFIPXVFZSA-N 441.484 0.972 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839862234 UOEBXVOHGJTMDX-OPAMFIHVSA-N 428.489 0.520 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1)C(F)(F)F 1839894436 CAUKPOGIGWAJRO-DLBZAZTESA-N 438.399 0.177 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCSCC3)CCO2)C1 1840923992 XLFOYWUPDBSVSV-NRFANRHFSA-N 438.594 0.868 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)CC1 1845137223 WHRKUVHLZMZFNT-UHFFFAOYSA-N 447.540 0.214 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 409550330 RAJNZFFTWMEOSN-GFCCVEGCSA-N 444.564 0.334 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 410149349 IPHFOOQWQDEABH-UHFFFAOYSA-N 429.587 0.502 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 432708368 MZZUYXPQNPMRGP-UHFFFAOYSA-N 448.549 0.661 30 20 ICED Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441375289 HTRNKCJFBACVIP-IBGZPJMESA-N 443.467 1.145 30 20 ICED N#Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 467779874 HQRYBSPECAJMQH-AEFFLSMTSA-N 444.469 0.949 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 470200278 LLXOKXKDEQBNBR-AWEZNQCLSA-N 429.506 0.453 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490472709 UGFHYEHUJWYUCV-UHFFFAOYSA-N 436.490 0.417 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)cc1 490544945 MVUXBSURJIRCJU-UHFFFAOYSA-N 437.481 0.801 30 20 ICED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(Br)c1 496342100 PQPJTPLWLABODU-CYBMUJFWSA-N 440.279 0.535 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3c(N)nc(C#N)c3C#N)cc2)C[C@@H](C)O1 504190314 UUVBSDQTPPKWPK-BETUJISGSA-N 443.489 0.645 30 20 ICED CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)c1C 508370964 PXQXTCQWGVCUFZ-UHFFFAOYSA-N 436.432 0.576 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 514309039 YMHNNPDGAKPIJY-HOTGVXAUSA-N 436.509 0.818 30 20 ICED CCCCn1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)n1 515252193 MJTJTGXVZCKJDO-UHFFFAOYSA-N 426.525 0.870 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 515971817 CXPBEMLYJSNQAB-UHFFFAOYSA-N 441.488 0.601 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523476756 ICSLAUOIRQVODD-UHFFFAOYSA-N 446.485 0.120 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C1CCN(C)CC1 531755436 RQNZOXAKCRBSCK-UHFFFAOYSA-N 436.459 0.843 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 538348645 CMTJAUIBVHFEBM-IRXDYDNUSA-N 439.607 0.859 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 551065744 HXPWKZDZVIEJNG-HNNXBMFYSA-N 443.485 0.967 30 20 ICED CC(=O)NC[C@H]1CCn2ncc(C(=O)[C@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)c2C1 552048178 JPQBLXVZZINLIT-HOCLYGCPSA-N 445.487 1.004 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)CC2)c1C#N 557888358 VTMFSIRAUFWMHB-CYBMUJFWSA-N 426.525 0.347 30 20 ICED N#Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cnc1C(F)(F)F 558901651 PEKNYYLDLLIBSN-UHFFFAOYSA-N 425.367 0.115 30 20 ICED N#CC1(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 566597747 BIBYIWPYXPNWLN-UHFFFAOYSA-N 447.499 0.726 30 20 ICED Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 574831529 UUEYNUBZXGFUEC-SFHVURJKSA-N 432.502 0.928 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1 577566980 KAGTWBOUDFLRKV-UHFFFAOYSA-N 431.405 0.671 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 579138972 ZZFHHFPCKZDVIY-RBBKRZOGSA-N 440.592 0.613 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 579290757 JNLWIBRBVUQQPS-UHFFFAOYSA-N 427.552 0.965 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 584196729 GFTIFNYFGLJKJG-KRWDZBQOSA-N 433.940 0.481 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cn1 587727093 AIJJYUXASVQFCY-KDOFPFPSSA-N 429.502 0.950 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038396 OIXKXNWVYNEJMB-UHFFFAOYSA-N 447.520 0.304 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 727755369 VPNRZJYAHHGLRL-INIZCTEOSA-N 428.474 0.802 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCc1ccc2c(c1)OCCO2 741343309 KUQSHRXZFNASNG-CEGCDYRFSA-N 443.456 0.965 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 747495903 YBVYEPJLONWEAS-UHFFFAOYSA-N 425.463 0.932 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)C(C)(C)C#N 748765347 BSNPUJLBVHOURN-XHDPSFHLSA-N 431.898 0.671 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 754387124 CQAHDVZVRYTLCT-AWEZNQCLSA-N 440.526 0.368 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)[C@@H](C(=O)OC)C1 780352156 NGAQBSLXXXHUQK-XNRPHZJLSA-N 426.429 0.938 30 20 ICED CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1 781592221 PDKPPXZVLXRNRW-UHFFFAOYSA-N 427.435 0.998 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782248799 BCJDTJPSSPIPEO-UHFFFAOYSA-N 432.483 0.168 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 782986846 GHIHQJNDSFZNEZ-UHFFFAOYSA-N 426.538 0.336 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2nc(O)cc(CC)n2)c1)[C@@H]1CCS(=O)(=O)C1 783479601 FELJFQOGYOEYFR-QGZVFWFLSA-N 442.497 0.999 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 784866926 CKUXXEXNLPSSAN-XLOANJQZSA-N 435.506 0.223 30 20 ICED C=CC[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccncc1 787183626 KKSMGHIFCWOIHG-IBGZPJMESA-N 435.484 0.703 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)cc1 787972096 OVJNGVMTFPNMIR-ZGIZLIOWSA-N 444.460 0.666 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 788627375 RUTDQQOPFQZYPE-UHFFFAOYSA-N 439.335 0.767 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCCO3)c2=O)cn1 794646350 HGKKBRLCRXCLEH-IRXDYDNUSA-N 442.541 0.711 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(Cl)nc3cc(Cl)ccn23)c(=O)n(C)c1=O 794924584 XRIQPMBKSUAUPZ-UHFFFAOYSA-N 431.261 0.351 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 796149084 XCGGCPHJQATGSL-SFHVURJKSA-N 425.397 0.819 30 20 ICED Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1-c1nc[nH]n1 798281010 CVLSGFUJFTYFDZ-OYKKKHCWSA-N 429.466 0.759 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(NS(C)(=O)=O)C1 801460905 YIQSRMBMNRBCRQ-PIMMBPRGSA-N 442.563 0.336 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2ccnc(N)n2)C1 810770190 IMKPIEVAEKWGHN-UKRRQHHQSA-N 430.490 0.809 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 811252335 SVSUPVNMARGTFA-UHFFFAOYSA-N 430.442 0.770 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 837370211 URJCSIHIQYYVPZ-UHFFFAOYSA-N 438.513 0.607 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665540 VXMACCZRPODGCV-OAHLLOKOSA-N 437.518 0.777 30 20 ICED C[C@]1(c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 914771242 LIIGOYBSDBGJDK-HXUWFJFHSA-N 441.469 0.809 30 20 ICED N#C[C@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc2c(c1)OCCO2 916966759 UBXTYGFLYSIHCK-CQSZACIVSA-N 441.421 0.950 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 918332958 KOYFUSZWHVCNIL-UHFFFAOYSA-N 433.515 0.941 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=O 919243068 NYETUXHAHDGEOB-FQEVSTJZSA-N 429.408 0.792 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)ccc1F 920460631 HRPLKDZMCHCRNR-ZDUSSCGKSA-N 433.527 0.691 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1303809031 OGJHGZBKYZZAPT-FOIQADDNSA-N 447.565 0.463 30 20 ICED CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314538025 ITJGOXNOQVQHSE-SFHVURJKSA-N 446.581 0.751 30 20 ICED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1316366373 LYGXLHWGKGFRCB-DHMKHTPVSA-N 428.518 0.951 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)CC2=O)cc1 1320382167 WVRDVGSNVUXDQT-QGZVFWFLSA-N 430.530 0.633 30 20 ICED CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1503272863 LRXHSEVQOOGVKI-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1518644715 NJQOYWVTCIKSFC-ROUUACIJSA-N 448.549 0.854 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1570311722 UBIDDRDNUMAPDF-UHFFFAOYSA-N 425.532 0.500 30 20 ICED C[C@H](CC(=O)N1CCCC[C@@H]1CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1641075890 QBLSAOJRKXTZHP-ZIAGYGMSSA-N 427.548 0.929 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1692784431 OZEXSNMSPXTEHU-RNCFNFMXSA-N 441.411 0.009 30 20 ICED Cn1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1696863051 CSRAUMHMPCJZGQ-INIZCTEOSA-N 434.526 0.133 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1708153764 ZYKMNJPLUOIREB-ZMPRRUGASA-N 440.504 0.936 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1712705300 MRKNENMTEOJFFJ-UHFFFAOYSA-N 443.533 0.425 30 20 ICED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1768522428 KKGWVASTTWWZJV-SJORKVTESA-N 446.533 0.809 30 20 ICED CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1778796676 SWVXKMDPIDPFJK-VZXDHSFBSA-N 439.509 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122584 FOGRFIXEDKLDFU-KKSFZXQISA-N 434.493 0.116 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779877095 OTMZQRYRDWIBPV-QFIPXVFZSA-N 434.456 0.399 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1780169578 SUZZBZOZJLKEMJ-QFIPXVFZSA-N 426.473 0.633 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1Cl 1780190355 XQVWZPSLNUKLEV-FQEVSTJZSA-N 443.895 0.988 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1)C(=O)O 1780802622 XKSGUAVUXAHJEM-QCBUCWTNSA-N 426.514 0.364 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780808308 VDTQXUJJJVQFCH-RZQQEMMASA-N 441.598 0.785 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1781169642 XOUSQLLYCMHPJF-YVHKJVDXSA-N 437.537 0.894 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1781268210 JEYBALJCSYBAKT-AVRDEDQJSA-N 430.505 0.291 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cn1 1782010109 KDOKHFGQNBAGHT-IIBYNOLFSA-N 429.429 0.084 30 20 ICED Cc1nc2sccn2c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010212 HNJTUZUWFMUHMY-JLTOFOAXSA-N 430.486 0.920 30 20 ICED Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015589 URJCAHJRBPYKLN-OPAMFIHVSA-N 442.447 0.997 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783600286 JVNNSPYKEGJWTE-XOBRGWDASA-N 438.481 0.186 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783661552 JIANTPDBANFYIJ-ZLFGVDQTSA-N 447.532 0.864 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21 1784482901 ISSRUDKIGFCWMA-LEAZDLGRSA-N 434.533 0.938 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785590969 IUVQMFOWHASWBC-DUQZYUJVSA-N 447.488 0.302 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785713845 SOSVXOASBXPLTK-DSPQJCBJSA-N 427.548 0.397 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(Cl)cn3)[C@H]2C1 1785818719 HJTCBNGEEFFDKQ-OECAHVLASA-N 433.896 0.582 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786842666 LPEBUNZIMGOWAF-OZZMQFRTSA-N 445.545 0.307 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5cccn5)[C@H]4C3)c2c1 1787104281 VYERWLQWWNXXGF-IEZWGBDMSA-N 433.472 0.925 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)n(C)c1=O 1787644804 OHHTVDWKDFGEDU-UHFFFAOYSA-N 449.471 0.481 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258086 GSHIXYIIMTUPLY-ZWOKBUDYSA-N 441.532 0.804 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788510504 JPBAGRQJWQHMON-XUFBONQXSA-N 431.581 0.588 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788575021 RPKSRDNHNNXWBG-XDQVBPFNSA-N 436.427 0.645 30 20 ICED CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)C(C)(C)C 1788602276 WGANQBQPVRZARV-PSWCBXJISA-N 449.596 0.989 30 20 ICED Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788629963 KWKBQOLZYODKRY-UFYCRDLUSA-N 428.533 0.870 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(OC)n1)C2 1792484159 DJMZNBMUDWQLFB-QVRRELRWSA-N 442.516 0.471 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1792486699 UTNPUGNELSJDMQ-XRWXCUELSA-N 436.512 0.939 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833438 QCCYOIWEHJWFEC-XAPVIXHLSA-N 442.516 0.232 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795777162 VUKLSLYDHOXUDW-FEJSZKPUSA-N 436.468 0.389 30 20 ICED 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)Cn1cnnn1 1796298820 XFDXVRQFPILYKO-UTBLSDIXSA-N 445.524 0.781 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336518 OIBYEUQKUSMHGE-ZMMAXQRCSA-N 435.521 0.625 30 20 ICED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445375 VNNGZHFJMAIFMY-RKLKBWSTSA-N 433.530 0.849 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)c1C(F)(F)F 1796601770 IYJSTXFJFKGIRU-YIYPIFLZSA-N 428.411 0.680 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3sccn23)c1 1798414846 QVICRFSEBLBMLD-FVCICTRLSA-N 438.469 0.473 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566694 WYTHEJVCJOTTQC-CWPLJXCYSA-N 448.541 0.958 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799150175 HHPSPJXTORNIHR-DZCHITDISA-N 442.516 0.689 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325924 ZSEFFUJWZGXDDW-HIRMHNASSA-N 431.468 0.276 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1799394164 ZWRDDMLOAPYOCR-ZXFNITATSA-N 432.477 0.857 30 20 ICED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(=N)N)C3)N(C(=O)OC(C)(C)C)C1 1802506649 HZSGGYMBYNCIGS-FZKCQIBNSA-N 434.541 0.673 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803452273 JIBSEHFJVKXVAX-URVUXULASA-N 441.484 0.996 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1803545939 RIBXZTWPLFSTPA-MDYRTPRTSA-N 435.484 0.933 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804353587 KPQMDONMORIBNN-WSTZPKSXSA-N 446.467 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cnncc3C(=O)O)CC2)C1 1804855809 AYVBIEOJAZPWCZ-PLNGDYQASA-N 441.488 0.878 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)C1 1806009416 JJNIWFPPPJCAAY-YLJYHZDGSA-N 443.548 0.726 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810332105 RDUNHNCUXUHXIQ-CNNODRBYSA-N 438.528 0.922 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)c1 1811190773 MDMLXTHLTJGAHR-HNAYVOBHSA-N 444.455 0.804 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819393472 ZCPSMBVFJJAUJR-OZMNXJMBSA-N 432.529 0.466 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773852 AKMQWSJYESHVKU-BIMBYPIRSA-N 435.554 0.120 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)NC(=O)C=C)sc2C1 1820134249 JNHLFDJPZRPDKC-WACGGTQYSA-N 431.518 0.604 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830466737 KQJIGCCFQZENKD-OAQYLSRUSA-N 444.875 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1831386372 GFZDETQLOOYMAF-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1831388677 ZYUXNAUMGVEVRF-XOBRGWDASA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1831391746 UXIKBZRVUHAEBN-JXHRLWIKSA-N 430.501 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831396869 RZTKOPDTBCSAAI-JTSKRJEESA-N 441.488 0.146 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1831409350 PEJNWQHUBCDTPF-DZCCDHAISA-N 435.565 0.766 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831411036 KFNROVQBVRASJY-FQEVSTJZSA-N 436.465 0.976 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831425934 XDWBSKNCAJACER-IIBYNOLFSA-N 435.477 0.057 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831463337 CYDMLCZATYGPML-YLJYHZDGSA-N 428.551 0.317 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1831609089 LRTDIQJUYGQNET-ZHRRBRCNSA-N 428.489 0.448 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832815115 NOCQXGLTIYZAFG-OAQYLSRUSA-N 434.493 0.308 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)s1)CCO2 1833414204 KKBPNUOYLXEGEL-QEVIJRNUSA-N 449.529 0.685 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833474111 ZOOZYLQNMHHNDB-INIZCTEOSA-N 448.524 0.954 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833873534 QFKJRFBPLHAUBR-HTAPYJJXSA-N 433.505 0.028 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833874443 JTMIAPXULPTTIA-IBGZPJMESA-N 425.432 0.667 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1835098220 BPEAFCKQYAWBCD-XMMPIXPASA-N 435.480 0.356 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cc2NC1=O 1835359884 MTWMYUCDIFKCFK-QRQCRPRQSA-N 442.472 0.780 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CN)c2ccccc2)CCO3)c1 1835818115 KVZNSWYCYYVGSR-AUSIDOKSSA-N 437.500 0.699 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835841695 HQWFBWLXUNZUGE-IBGZPJMESA-N 436.538 0.077 30 20 ICED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)CCC1=O 1836168939 RKTNRTXPSMSFPX-UHFFFAOYSA-N 439.520 0.680 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836995184 ZYQUXBUDUGNWPM-HSZRJFAPSA-N 441.484 0.891 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316041 UISSNDXXWXRCOH-XJKSGUPXSA-N 442.456 0.503 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837399190 NWHGOHDLLPNJPH-XMSQKQJNSA-N 432.521 0.472 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837566955 WEWYSSDHTZKEHS-ZWTIIMOHSA-N 432.521 0.497 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(-c5ccccn5)[nH]n4)CCO3)C2)CC1 1838050493 MOEMRWJFFHKCQB-JOCHJYFZSA-N 436.472 0.845 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732561 VUVNPBAAOSTGSK-HRAATJIYSA-N 426.477 0.489 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791592 GRPGAKBJHRZRSW-JOCHJYFZSA-N 438.488 0.887 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839224318 IDPANURWCRBEKX-HRAATJIYSA-N 434.493 0.967 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839225726 RKQDFKYRBQAUCN-BTYIYWSLSA-N 444.492 0.829 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1839361580 SEPKIORKKJSXNT-JOCHJYFZSA-N 437.456 0.632 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362461 UZPAMNICRPBQDF-QFIPXVFZSA-N 431.489 0.486 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810901 XJWDUSQNGMXHBF-PDIWNELESA-N 447.532 0.723 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839811809 PSPPFZPGMLADQS-LJQANCHMSA-N 425.457 0.035 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)C1 1839811895 VKSLMHJEUZJSNI-PNLZDCPESA-N 435.521 0.769 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1840465251 MLIZYSFEKQWAPA-IQTGRTGDSA-N 429.477 0.131 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548017 HXVWRJOTKRZSAG-HXUWFJFHSA-N 430.567 0.870 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780713 LQKJFDLILLRCTC-CQSZACIVSA-N 427.523 0.151 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1C#N 1846877802 XRDFQKXYHYLWBH-INIZCTEOSA-N 439.472 0.761 30 20 ICED CN(C)CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 410329902 KREHUJDOPBRFEG-UHFFFAOYSA-N 448.593 0.600 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@H](NS(=O)(=O)N(CC)CCC#N)C1CCCC1 410427728 QWBVLLSEUVTAAV-KRWDZBQOSA-N 448.615 0.685 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)n2)cc1 427031354 QNBGPIMKKVNMSD-UHFFFAOYSA-N 445.487 1.086 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CN(c3ccccc3)C2=O)cc1 441325840 QUASPYZRWYOHMF-GOSISDBHSA-N 442.497 0.963 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 463200446 UAZQNSQWQQEFLO-SFHVURJKSA-N 427.486 0.682 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 465321961 JVLUBOHYCULNCX-OAHLLOKOSA-N 441.467 0.706 30 20 ICED COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465414982 HDWDMPFXQVNBFK-GFCCVEGCSA-N 426.408 0.950 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 470810342 HZVVCRYRJAFHPE-KRWDZBQOSA-N 437.481 1.000 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480957708 VKKLOBVQVDJNNG-LBPRGKRZSA-N 430.511 0.662 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480958623 WBPZEFBLIBCTAO-UHFFFAOYSA-N 445.482 0.945 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)cc1 491197626 FKISPBBIFBESSO-UHFFFAOYSA-N 429.521 0.554 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 502337492 KGFLHBWFTCZILV-UHFFFAOYSA-N 426.442 0.500 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2cccs2)c1=O 505657108 GFLYJEOIPCJZNR-UHFFFAOYSA-N 425.539 0.843 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 507501144 MEXRFYXLRFEVSK-NWDGAFQWSA-N 444.560 0.658 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(OC)c1OC 510629631 PSAKBTIIUMRFQD-UHFFFAOYSA-N 443.464 0.343 30 20 ICED CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 516213209 JEKKFCRRSBTUHG-UHFFFAOYSA-N 433.303 0.854 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C 519563147 FXQZTLOFGDEXMA-CQSZACIVSA-N 428.464 0.835 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C(C)C)c1=O 527030630 VJIWBSGAQSFVPV-HNNXBMFYSA-N 430.530 0.832 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 536556111 OHUHMGHGPGJKCT-UHFFFAOYSA-N 432.506 0.589 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCOC1 549823780 ZHYOGYAPPSQTQU-CYBMUJFWSA-N 449.479 0.490 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCOC2)c1=O 549937377 UTPIVMDMMFTQEB-MRXNPFEDSA-N 444.557 0.907 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 550333787 AXKMTTFOMBIAPS-BBRMVZONSA-N 429.926 0.832 30 20 ICED CN(CC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)S(=O)(=O)c1ccc(C#N)cc1 552609820 UAEAAIYLBXTPPK-INIZCTEOSA-N 428.536 0.061 30 20 ICED CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCn1cnc(C#N)n1 553525092 QOEQJEJRZMDSQB-CYBMUJFWSA-N 426.499 0.505 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 577298100 FZGJCPIMVCRCND-UHFFFAOYSA-N 440.504 0.701 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)c1 587659487 PKPCFUKGWWCYPM-UHFFFAOYSA-N 449.515 0.791 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1 589360974 YVPKOVWMVKWDQP-UHFFFAOYSA-N 442.497 0.963 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1C 590983147 CMRCOQKBRLBMGO-UHFFFAOYSA-N 449.916 0.527 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993699 BKVHAQOBHGBCEK-UHFFFAOYSA-N 436.472 0.746 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1F 609450808 UGPJFXPDIFBMJH-UHFFFAOYSA-N 442.516 0.571 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)cc1 610733343 RCTNMPGXAOQLDT-LJQANCHMSA-N 432.546 0.892 30 20 ICED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 731353008 HIOVAFMKSKJMAQ-UHFFFAOYSA-N 446.529 0.196 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C1CCN(C)CC1 743726279 LHIPTKYUDPNXAV-UHFFFAOYSA-N 447.586 0.207 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 749667676 WAZDBWJARWJBIG-ROUUACIJSA-N 443.548 0.685 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 754118111 IHNNMAACWRVUMA-FZMZJTMJSA-N 444.535 0.908 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 755597272 WKYALUSQZJPWBM-KRWDZBQOSA-N 432.546 0.367 30 20 ICED CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2S1(=O)=O 757152712 UXPICQBKSAVIKL-CYBMUJFWSA-N 440.485 0.864 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 761030008 CJSGQWXLJNLJAT-UHFFFAOYSA-N 433.559 0.910 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)s1 765144921 MEECNTWGRMPVNQ-UHFFFAOYSA-N 443.510 0.073 30 20 ICED COC(=O)c1cn(CCOC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 774602281 UNUMBGMFXRLDPU-AWEZNQCLSA-N 426.389 0.385 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)n1 787504417 YBIHNQVOVJASFS-UHFFFAOYSA-N 433.490 0.632 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1cc[nH]n1 789950568 QXNKJIRSDWODQI-UHFFFAOYSA-N 448.524 0.240 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 798559939 AKVUEQKAPWILEC-BPUTZDHNSA-N 428.894 0.794 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287134 IQSDRXYSBLGOCV-CQSZACIVSA-N 431.522 0.319 30 20 ICED N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 803849494 IZZFARXMZAOASH-UHFFFAOYSA-N 439.453 0.515 30 20 ICED C#CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 809644345 WUOZJIOKFGTBNS-IBGZPJMESA-N 429.539 0.558 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCN(C(=O)OCc3ccccc3)CC2)c(=O)n(C)c1=O 814883674 WJTDICJUXUOWDE-UHFFFAOYSA-N 449.489 0.151 30 20 ICED COCCc1ccc(OC[C@@H](O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1166529557 VSWHUVPCOBJNLH-INIZCTEOSA-N 447.513 0.470 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1299384285 INYJPSFMIXLOIX-YCRPNKLZSA-N 426.498 0.881 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)N3CCOCC3)CC2)C1=O 1318151765 QJJCMJMABSIHDO-OAQYLSRUSA-N 426.477 0.353 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN(C(N)=O)C3)CC2)cc1 1327051575 LBHLTVLOCXJMPW-MRXNPFEDSA-N 433.534 0.866 30 20 ICED CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503816486 IPPBXRZOINYZFL-UHFFFAOYSA-N 448.535 0.640 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505320266 VYWWIUKUDMIPSJ-INIZCTEOSA-N 444.517 0.490 30 20 ICED CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1546550257 QWSBDYVBMDIQDD-FXAWDEMLSA-N 431.518 0.840 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1690328372 KLIDOPIQNJNCRQ-KBPBESRZSA-N 429.934 0.743 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1706838201 JOQRHAQYDOGBPB-CQSZACIVSA-N 434.522 0.686 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1712704726 QBQSAVHFAFRNMS-MRXNPFEDSA-N 429.506 0.177 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773360 YHOFCLLEQIASET-HTAPYJJXSA-N 425.489 0.828 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1777984985 TTYDDWWVYGEUME-NJNPRVFISA-N 448.564 0.646 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779053633 ALVKPDIQRDNLTI-IERDGZPVSA-N 429.525 0.389 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779102716 XHIJHZFZSOVQAE-QNZROTIXSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1779419601 DEDUKWLXHBIGHT-QRZWHDCESA-N 446.504 0.977 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c(C#N)c1 1781176091 VZBGKKMGWFGEOI-BTYIYWSLSA-N 439.476 0.187 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1781271844 NDLOSFRPCFRUIG-ZHRRBRCNSA-N 430.505 0.854 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CCO2 1783054027 QVSIRFXRSDCKNJ-SIKLNZKXSA-N 445.541 0.611 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1784479099 PKNCGMVHWMYEOO-QKKBWIMNSA-N 434.460 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCCC3)[C@H]2C1 1786575271 VHQZCGZUKDFJMZ-GRMGMVGISA-N 432.565 0.701 30 20 ICED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857262 DVZMVVGCOXDGMT-IHRRRGAJSA-N 435.554 0.455 30 20 ICED Cn1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788661275 JGYIOVUZYWVSBY-LZAHIWBNSA-N 433.509 0.471 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661381 OSJUEPRKWRUDIT-FNWFUWEKSA-N 443.566 0.609 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cn1 1789345091 WERFFNUTBUPWNS-BXWFABGCSA-N 437.456 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1789891141 ABPPPSKAGNMFML-BZSNNMDCSA-N 439.578 0.524 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c1 1792833384 KXOXPXNFCVVATQ-UPHUGPLXSA-N 449.467 0.882 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1793340056 IVAGBXVFPHQKRY-SQFBREILSA-N 425.485 0.808 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1793356893 CYTYLBOXFMFVIF-ZJOBFFGXSA-N 434.449 0.793 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323735 XQBOGPCNCZKDBJ-YWVIFJGQSA-N 437.447 0.431 30 20 ICED N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)c1ccccn1 1797783396 ORDMISGCMYDDBL-JWWGGVBKSA-N 426.517 0.370 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n(C)n2)C3)c(C#N)c1 1799238175 AGJOYXJPBBCBQQ-VPTLXERWSA-N 439.472 0.452 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)OC(C)(C)C 1800322775 KGPHFLHFGUFBJY-CSHUHZATSA-N 443.504 0.467 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1802684072 TULWZHSLXWHBNF-MAUKXSAKSA-N 435.488 0.891 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1802685843 PSGPLNBHGARZBN-XJKSGUPXSA-N 435.448 0.077 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1803550631 PPQMNIQJNMIANL-YVNJGZBMSA-N 441.576 0.762 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1803566954 PSSRGMKXKDZOEI-CBQOVEMMSA-N 429.565 0.926 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1807610830 ZDJGKGBCWLWCIB-SIKLNZKXSA-N 430.472 0.888 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1811795260 MKDFAODLEQTTCD-IRFCIJBXSA-N 434.500 0.866 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812636168 VYVKAOHEACVQBE-MNRBKGIESA-N 425.489 0.082 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813227334 QYVVXPHQOFDLCE-ILWGZMRPSA-N 428.533 0.932 30 20 ICED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)n1cnnn1 1822857407 ZGBBTMCVYWRWPL-HIFRSBDPSA-N 428.501 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1823748597 YBNYWSISTMMOBM-GUMPUFBISA-N 448.564 0.115 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826933359 LAQVSSQOAAFPDQ-YEUFIRJSSA-N 431.537 0.911 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826933647 ORCWKIQNRGAPDM-TZVXIOESSA-N 434.585 0.671 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829635136 AADFUMVENRYRNK-HSZRJFAPSA-N 442.516 0.473 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1829901423 AIUPDGPXCLWJME-QHCPKHFHSA-N 440.500 0.180 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831340362 ONTAAHIBCDGXPW-HXUWFJFHSA-N 435.502 0.063 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831433601 JXPXGVFTALQWCD-IIBYNOLFSA-N 434.493 0.162 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831434890 IDCWJDWQIQQLGZ-JTSKRJEESA-N 443.504 0.699 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832344498 NMZAKFMHPLZWMU-HHPVHHTKSA-N 436.553 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1835821485 VRPPQLWTFKZMKQ-QZTJIDSGSA-N 434.581 0.901 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836451111 PIHOZECPVMXTCA-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836643434 DDNNTEGENWRHEZ-LLBVYWAGSA-N 428.485 0.485 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836880011 KDSHZMBMDJGCGQ-NVXWUHKLSA-N 440.566 0.538 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c(F)cccc34)CCO2)C1 1837055680 MZYLTLWMFAJVIV-NYHFZMIOSA-N 444.463 0.810 30 20 ICED Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(=O)[nH]c1C 1837266942 UWYZSRFKXFQTPB-UHFFFAOYSA-N 430.461 0.087 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428796 GHNGEFZWVONMQS-NRFANRHFSA-N 437.613 0.582 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)C 1837564195 BXFSOJXLEKHNIJ-KCTLCGQASA-N 449.504 0.743 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837682006 LWHRLKNTFYRNSE-DYESRHJHSA-N 435.546 0.785 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838405767 PZPFQWNRVDYTRJ-SGSZHJQISA-N 448.524 0.806 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc[nH]c3cc1F)CCO2 1838575497 FXTYAXLXVCXWPA-OAQYLSRUSA-N 429.404 0.465 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951099 YKBXZOFVMHDZKG-LAUBAEHRSA-N 429.477 0.075 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)c(C#N)c1 1839131881 FOGRMCIAAINHGI-NFBKMPQASA-N 443.500 0.745 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839174249 OUTUXLSJFABHAU-OAQYLSRUSA-N 434.493 0.308 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1839174969 GNMJMQXTSCBRNB-RTXPOLOASA-N 449.548 0.292 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839419592 JZJPMEHIFNAFMB-QFIPXVFZSA-N 441.463 0.973 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448756 SIALSFHROCYLRV-VFNWGFHPSA-N 435.477 0.969 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839514194 CEVNWXDRFSQCKJ-ZUOKHONESA-N 432.502 0.724 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1840043840 WXSQOQPRPADHDN-JOCHJYFZSA-N 438.440 0.235 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050921 ZTWFNJVJNFFPOI-QLDGJZPUSA-N 436.505 0.520 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840160555 LFSVBQDERYLCKG-QKKBWIMNSA-N 448.545 0.265 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840173336 QUNUVZZXNOEVEQ-FQEVSTJZSA-N 432.502 0.711 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4COc5ccccc5O4)C3)C2)CCC1 1840812222 GIWMNMVUHHKWIV-CVDCTZTESA-N 441.484 0.977 30 20 ICED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840813379 VYQGUZPRBGDNPD-JOCHJYFZSA-N 427.505 0.911 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1846416347 ZRKDQYZPVPRUHX-KNQAVFIVSA-N 441.528 0.743 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1847101576 KZUMWCAKYPPSJR-CQSZACIVSA-N 436.513 0.445 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(N)=O)C3)nnc12 65175083 YQYATBLTSSBSPU-AWEZNQCLSA-N 428.474 0.035 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 409550415 FFWLMDWJTDHBBT-LBPRGKRZSA-N 433.512 0.726 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3ccccc3S(N)(=O)=O)CC2)o1 432997452 LOLYNUMXFGJYAB-UHFFFAOYSA-N 432.506 0.283 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](CO)COC(C)C)cc1 433632713 OWOKZFOPYJIBSB-MRXNPFEDSA-N 427.523 0.676 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1 442353501 UAZBXJJIBFYIGE-GDBMZVCRSA-N 425.507 0.742 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443748153 MLTASPSEJFLXFK-OAHLLOKOSA-N 444.517 0.785 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(I)cn1 446454327 BTVBAYQYOFAHRM-UHFFFAOYSA-N 439.217 0.551 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 468905253 HLKNQVUOJDDTCX-INIZCTEOSA-N 432.524 0.813 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(OC)nc1 479397664 KVBJPYALXGOREI-UHFFFAOYSA-N 449.492 0.511 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1Cc1ccon1 480952316 OREADIUOPYINNS-LBPRGKRZSA-N 444.538 0.970 30 20 ICED COc1cnccc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 485085683 LOTOYPDAYBYHSN-UHFFFAOYSA-N 432.444 0.830 30 20 ICED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)cc(F)c2OC)CC1 501886089 HFBZDFOKZHYVNA-UHFFFAOYSA-N 443.497 0.620 30 20 ICED COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508339224 HZORWPPTRNQFCJ-UHFFFAOYSA-N 427.465 0.528 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508800116 DPAOUTXEPDQCCL-LJQANCHMSA-N 442.568 0.695 30 20 ICED C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508842349 XFIBCFBPIXKJEF-UHFFFAOYSA-N 437.508 0.593 30 20 ICED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]12C(=O)Nc1ccccc12 513660204 KMWHUHJCSUOCHC-QMHKHESXSA-N 433.468 0.909 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 523463138 XABFADPMESZZCO-MAUKXSAKSA-N 443.573 0.878 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c1 523806427 PDDSFHMOPDLDOZ-UHFFFAOYSA-N 440.481 0.885 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2CC)c1=O 527279905 UNNGMKSSRRWDNZ-OAHLLOKOSA-N 430.530 0.661 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C1CC1 531598342 RRUXFFWJAWLIKI-UHFFFAOYSA-N 435.509 0.696 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543000647 XKWSCUNYMJVJQF-ZDUSSCGKSA-N 434.453 0.362 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CCSC)c2nnc3ccccn23)C1=O 550230339 ASIUWPSZBHVNCD-LSDHHAIUSA-N 430.534 0.885 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCCO2)c1=O 550836628 OZOJZQJPFZXHLV-KRWDZBQOSA-N 441.557 0.821 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1 552936661 HXIBIHDYAPVBHC-GOSISDBHSA-N 443.548 0.084 30 20 ICED CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 557022313 ODNGTAJWJRNNJL-UHFFFAOYSA-N 436.516 0.859 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 560024263 JGICXVCSQJRZLP-HKUYNNGSSA-N 447.499 0.745 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2=O)cc1 567511406 SXBYQNNLAWOLSR-IBGZPJMESA-N 443.467 0.672 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 567511575 ZSIJJIGXFJPNGP-SFHVURJKSA-N 435.488 0.237 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)cc2F)c1=O 614973024 WHCBFUIDNLHWKS-UHFFFAOYSA-N 448.907 0.572 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 619695065 VYCXKOCSYYGVRS-CYBMUJFWSA-N 431.489 0.898 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(OCC(N)=O)cc3)cc2)CC1 727972050 QLQSHTKUCYIYOP-UHFFFAOYSA-N 431.518 0.933 30 20 ICED C[C@H](OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)N(C)CCC#N 729250354 OGGVFKYRBDORGK-HUBLWGQQSA-N 431.898 0.671 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 746127336 YBMWTMLIKMRJJF-QZQOTICOSA-N 430.436 0.792 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 747993383 JBSZZFCYXMWITD-UHFFFAOYSA-N 428.489 0.389 30 20 ICED N#Cc1c(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cccc1S(N)(=O)=O 755027146 PEDYNIFLULOTPH-CYBMUJFWSA-N 426.454 0.707 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cn2)c1=O 758040279 ICNOEXATARUFNJ-UHFFFAOYSA-N 429.299 0.482 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758644399 ZXTXRMDVKMXMRD-SWLSCSKDSA-N 444.535 0.632 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)c1 759198234 DVSPQEIBJWUBTJ-UHFFFAOYSA-N 431.474 0.454 30 20 ICED C#CCCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 762295444 ZIOBEZNGSCIBLH-UHFFFAOYSA-N 434.562 0.595 30 20 ICED N#Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)cc(N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] 763393392 MECLJZBTHGLHNR-GJZGRUSLSA-N 428.405 0.748 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777899077 JJMUNYCXQLUAJB-LBPRGKRZSA-N 445.475 0.915 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)cc1 781104381 SWIWMRXMGXMGDP-KRWDZBQOSA-N 445.545 0.727 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 782137302 OXZCNQMIEUEZOI-UHFFFAOYSA-N 431.424 0.650 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)[C@H]1CCCO1 787562035 JUMBPPMXBUUGPF-WOJBJXKFSA-N 442.516 0.261 30 20 ICED C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 790871012 PXCCIFQBGNEGPH-IAGOWNOFSA-N 428.532 0.475 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 794645480 MUMXRCQDHBDSKK-OAHLLOKOSA-N 438.553 0.900 30 20 ICED COCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 796485223 IUDSVFGGKKPRKZ-HOTGVXAUSA-N 444.554 0.093 30 20 ICED C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 798362413 GKBROECTDMWIRQ-BAYIIJMGSA-N 436.559 0.928 30 20 ICED CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC#N 799854846 XXSZKEVKVYPYRH-INIZCTEOSA-N 441.531 0.626 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808036408 CZHSJRWMKRUFGP-FUHWJXTLSA-N 442.520 0.975 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1F 810252532 GKOAEPDWNGJVRD-AWEZNQCLSA-N 430.483 0.364 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 854190036 UOBRNVXJWNPOPU-VIFPVBQESA-N 425.186 0.562 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919319229 YABQZQVXSLAPSB-AWEZNQCLSA-N 436.486 0.816 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 1286891224 GNNNMAOGSAZWTM-UHFFFAOYSA-N 425.541 0.973 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1 1306863602 NQRZWEHFECAJRM-CYBMUJFWSA-N 432.424 0.896 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CN2CCN(C)CC2)C1=O 1318334079 ZIMJXUCGDQRDCQ-PBHICJAKSA-N 446.577 0.489 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1503680618 XLTKTSRHMSBMCN-XLIONFOSSA-N 430.534 0.507 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1510195381 VRCCEEMJYOLNBR-KJNKAVKDSA-N 434.563 0.877 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1568995071 KEGJEJZEOBOXGA-UHFFFAOYSA-N 439.490 0.678 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1619548475 QKRYXSVKFGYBGF-UHFFFAOYSA-N 437.504 0.638 30 20 ICED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1648679042 QIUATMRMFRLLPL-MRXNPFEDSA-N 437.518 0.665 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1723615991 CUTVUVOUZFIHQE-SJORKVTESA-N 449.581 0.560 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1728601707 IKKMKFXHUHFFPB-ZWKOTPCHSA-N 438.584 0.989 30 20 ICED Cn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1748045238 VKSSVQWULAVNRO-SFHVURJKSA-N 430.469 0.967 30 20 ICED CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1765607747 XLTGVGHACWQBTR-KRWDZBQOSA-N 442.568 0.899 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1767845812 ZCBYVOHKNBAFTQ-FOIQADDNSA-N 446.533 0.750 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1777896689 JHDJJDNASMDMNU-QJKPHDSHSA-N 438.488 0.340 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1778876940 KHOJNBOXNYUBDC-SQGPQFPESA-N 427.567 0.913 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)ncn1 1779062097 DECRGSRAUHHPBD-QFIPXVFZSA-N 442.472 0.317 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)ccc1F 1781299715 BCRWUBSDWOLZCS-QFIPXVFZSA-N 444.463 0.912 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1781959981 BBIONCWOPRKGSC-OAQYLSRUSA-N 426.404 0.854 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782157071 PCXKJKGEGIFNJW-QNFHRHJVSA-N 432.473 0.344 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644607 HWMIPHKAFPEINQ-PDIWNELESA-N 449.548 0.990 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1)C(=O)O 1785080464 XXAZOQWMVGSJEQ-QXATTWAWSA-N 428.489 0.820 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)c1 1785217720 GJLWGPWUOBKCNE-QRTARXTBSA-N 427.421 0.285 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787072248 FKBJTQZIMCWVCL-YPHDOGSUSA-N 445.545 0.407 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1)N1CCN(C)CC1 1789573789 UMVRQVUOJNQTCU-MNAPGUCWSA-N 439.560 0.787 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790227467 BIKIHFFYWCWHED-CBVHJVASSA-N 428.464 0.911 30 20 ICED COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]43)(C1)C2 1791015851 BGXBXZPPAGVMBL-YYTPORGASA-N 446.548 0.591 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]32)c(=O)nc1O 1792130650 VDFYFNMHPIKAAT-JKQORVJESA-N 438.550 0.191 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792714723 CFBSIVGCOZWWDS-HRQSHJORSA-N 446.500 0.828 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C2 1793349537 BCOKXUJVMUFPEN-BOLBYERCSA-N 449.548 0.871 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)cc1C#N 1793421519 VXBDRPWQWULBOG-NBMJBFSESA-N 442.472 0.657 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)c1ccc(O)cc1 1795465187 SZHNSYWWIVGMIU-DCXXXQMHSA-N 427.501 0.567 30 20 ICED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O)NC(=O)OC(C)(C)C 1800754343 JKVDKFYCWYCAMV-UJHHCITNSA-N 425.526 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)NCC(C)C)[C@@H]1c1cccnc1 1808444470 GFTMYNGCRJVZCS-OGBOZSPHSA-N 441.532 0.718 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc3snnc3c2)[C@@H]1c1cccnc1 1811345880 ZZVGWPHJXWDPKN-UGSOOPFHSA-N 436.453 0.889 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(n2)OCCO3)[C@@H]1c1cccnc1 1812878480 IMEKUMLCABTFJY-MGPUTAFESA-N 436.424 0.655 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1814106319 AUJPIZVBRSBPAI-NFBKMPQASA-N 425.533 0.665 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1822922280 GLYFYBQXOFQDRP-LBPRGKRZSA-N 434.522 0.404 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1822925933 AZKZQBDWQCTCMG-NSHDSACASA-N 431.474 0.962 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310410 XKBSNSJWPZUTRS-FDDCHVKYSA-N 438.484 0.208 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2S)CCO3)c1 1829797307 KKXHAYLUVWVYLI-FQEVSTJZSA-N 427.486 0.954 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208594 OBTMMKSHRSDTJZ-FDDCHVKYSA-N 447.532 0.866 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1831392395 LJEVAJQALBXECG-SBUREZEXSA-N 428.485 0.825 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831424053 BLUCPYYNVLYAJR-YCRPNKLZSA-N 437.468 0.890 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831452378 PVZZARIAXVWISB-RVKKMQEKSA-N 436.596 0.078 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n(C)n1 1831484903 IINGJQNOGDZKCK-APWZRJJASA-N 426.539 0.453 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831488026 VDFONCBFSGCSRW-FCEWJHQRSA-N 442.607 0.424 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c(C#N)c1 1834106104 MMQDFVRREZXIDR-JOCHJYFZSA-N 439.472 0.603 30 20 ICED COCCOCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714622 BDOUSTNGUJUCSF-UHFFFAOYSA-N 437.585 0.503 30 20 ICED O=C(Cn1cccn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834882264 RQULBPBPLIWICH-OLCUMFGGSA-N 446.552 0.984 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095766 CKTBKEKWNAUFOF-QFIPXVFZSA-N 446.525 0.401 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835587341 DLGURAWOJBUNAL-JWNTYJGQSA-N 428.533 0.931 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834429 NQADDCYGCIFZKS-SFGWALBWSA-N 447.536 0.729 30 20 ICED CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1835896589 NKUSUMUJPPVCIJ-DENIHFKCSA-N 431.537 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836027656 MYOAMSVLMHSSLW-QJKPHDSHSA-N 446.479 0.078 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836047554 PZPSYJYPIFVBMZ-GOSISDBHSA-N 448.593 0.715 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837441706 AETORDRCYFCZJC-DGEAWOGYSA-N 442.516 0.797 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837447385 MJTQVHOEPDFSRB-NMWDDECMSA-N 446.552 0.591 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837599792 XLKHZPVNIIBFSN-PVFZMYLSSA-N 441.525 0.785 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883104 SURWHXYGAHSAMC-MRXNPFEDSA-N 430.496 0.789 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837955324 MLIOMUOZEBLVRO-PGRDOPGGSA-N 433.505 0.733 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4[nH]cnc4-c4cccnc4)CCO3)C2)CC1 1838495990 OXVBAKJSCVUDRK-QFIPXVFZSA-N 436.472 0.845 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c1 1838581872 TUHBQHCECYLTHS-NRFANRHFSA-N 440.460 0.377 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649749 IUUKGIQYFHAHRZ-FFCJBUTOSA-N 428.445 0.569 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1OC 1838839918 IMDZCUOMRGBEGG-JOCHJYFZSA-N 429.473 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838909269 UPSWANQAQBJBNQ-ICTHTSFCSA-N 431.464 0.754 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419499 DVHZPWBQFQHPBR-SPLOXXLWSA-N 432.452 0.279 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(Cl)c1 1839865034 DZKMHMDCCOMIPZ-FQEVSTJZSA-N 434.880 0.547 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839887704 MVSQOIGRCHZGMS-LJQANCHMSA-N 441.431 0.677 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840540653 BMQGYMMNHCYITP-AVRDEDQJSA-N 429.473 0.430 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840845310 SUJYPVHIZPDRGT-WZONZLPQSA-N 427.501 0.675 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841745457 DIHQLIWNSUAAGV-KBPBESRZSA-N 449.508 0.257 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058644 XCXYYDGVRLJRGU-CQSZACIVSA-N 444.488 0.706 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844286231 BWSPPLJNOHDPHC-SFHVURJKSA-N 434.489 0.383 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2CCOCC2)CC1 28177440 XYVAPBWXWGKYSG-OAHLLOKOSA-N 431.562 0.912 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 434936718 HPZBWJGLPJGDNI-GOSISDBHSA-N 429.521 0.457 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 435097984 ITFZWVHOVUQOLB-KRWDZBQOSA-N 426.539 0.650 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(=O)OC)nnn2Cc2ccccc2)C1=O 439276030 PWBRSAJUNRLOIN-UHFFFAOYSA-N 426.389 0.028 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccc(C#N)o3)c2=O)CC1 440392012 PSKBFCKUKDBGIU-UHFFFAOYSA-N 437.525 0.767 30 20 ICED O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)N1 442138424 PCGKYXWNFLNHHS-MWTRTKDXSA-N 431.452 0.914 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(F)cc1F 472863026 MEAUWQZFRVVHAY-UHFFFAOYSA-N 446.414 0.952 30 20 ICED CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472894590 FPXYQSKQJIUHPZ-UHFFFAOYSA-N 438.488 0.993 30 20 ICED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 473381972 ICISPMXYLILSFZ-DOXZYTNZSA-N 430.505 0.964 30 20 ICED CN1CCN(C)[C@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 477616776 SVPNVNOILWVSCJ-QGZVFWFLSA-N 428.516 0.943 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCC[C@H](C)C3)CC2)c1C#N 477912221 SZRXCTBTKIBHLF-KSFYIVLOSA-N 429.569 0.876 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)cs1 480951568 MGCKQGOZJZNLQF-UHFFFAOYSA-N 443.510 0.073 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490025910 JEGKIAYPBAPFNQ-AWEZNQCLSA-N 442.505 0.377 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505667073 YVRHLGWTZCGTSL-INIZCTEOSA-N 444.557 0.877 30 20 ICED COCC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 505973432 JKFBMJGEFSRJJO-UHFFFAOYSA-N 449.533 0.212 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508418649 YYTKLXSDDCVIOY-QGZVFWFLSA-N 441.536 0.929 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 518723222 JDVAHFFRHFXMTQ-UHFFFAOYSA-N 438.553 0.990 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 521497542 JQZISGTXVXOVMN-RBUKOAKNSA-N 437.500 0.783 30 20 ICED CC(C)(C)NS(=O)(=O)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 524327115 DLCGAOHCQBGCES-OAHLLOKOSA-N 435.506 0.597 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)c1 531842344 OCQZYCGMOVZCPO-UHFFFAOYSA-N 427.486 0.611 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 536359949 ODBVATVLHFKOHV-QGZVFWFLSA-N 440.547 0.238 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 554614788 PMAJDCOZSXFHQC-UHFFFAOYSA-N 426.525 0.929 30 20 ICED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 556625301 FZUBPICYYZJGED-GOSISDBHSA-N 438.488 1.232 30 20 ICED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O 560429498 GMQCRJGAXYPKRV-UHFFFAOYSA-N 427.511 0.193 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(CC#N)CC2)ccc1OC 562427890 NTPGSCNPWLIMCM-UHFFFAOYSA-N 438.506 0.711 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 570611145 UHJTXPIPCPVVOS-RTBURBONSA-N 428.514 0.588 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 577664126 DQVMZJFCKGFAOU-KKUMJFAQSA-N 428.559 0.442 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 582618656 IQKGEWNUZTWQIO-KRWDZBQOSA-N 430.557 0.918 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 589631552 YRHAGEIAJSSEHR-UHFFFAOYSA-N 438.513 0.829 30 20 ICED CC(=O)c1ccc(S(=O)(=O)CC(=O)N(CCC#N)CCN2CCOCC2)cc1F 604746022 WKQQIUFUNSVQNG-UHFFFAOYSA-N 425.482 0.876 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606125713 SOFIRCIKBAVFQS-LJQANCHMSA-N 433.468 0.273 30 20 ICED CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609419790 ZTCAZTZNHDYPJX-SFHVURJKSA-N 426.477 0.911 30 20 ICED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 615307183 PTYRJQKSDHLNMB-SFHVURJKSA-N 434.460 0.700 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 619778158 BHPCOZBHXZNUKE-UHFFFAOYSA-N 440.547 0.155 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCOCC1 726279178 QWKUMZSJYHAFMT-INIZCTEOSA-N 436.534 0.457 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 732156520 PEWBEJVHIAHLCR-NXHAUGRDSA-N 426.429 0.453 30 20 ICED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911109 YFFRDAZVOMXIAR-HNNXBMFYSA-N 447.542 0.888 30 20 ICED CC(C)(C)NC(=O)CNC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830298 GWYSAKMUINBECA-HNNXBMFYSA-N 443.460 0.337 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037109 NFYJABSUELNDDZ-SJQORLFUSA-N 425.441 0.573 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746538180 PZUMHNORPQNIPD-UHFFFAOYSA-N 429.454 0.899 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756888596 BWLODLDOFRDYMD-MGPQQGTHSA-N 434.584 0.923 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 758991622 ZKMANKWVZJRALN-FOIQADDNSA-N 434.899 0.892 30 20 ICED C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCN1c1nccn2cnnc12 771169464 DPVVQQWJMSTNKJ-MRXNPFEDSA-N 445.487 0.928 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1cc[nH]n1 772119455 AULCITNOXXALOI-UHFFFAOYSA-N 429.481 0.157 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 780065199 DHXXLHQTBYLXAW-QWHCGFSZSA-N 437.499 0.928 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 781662917 HGVILPNRWPWXPN-UHFFFAOYSA-N 433.555 0.555 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 783478563 FMAHLSSQSGJJBO-KRWDZBQOSA-N 445.497 0.792 30 20 ICED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785211253 VVPPVWLPCIMOJM-ACIHENLCSA-N 437.522 0.278 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCOCC3)ccc2C)CC1 797535414 WBEIUUMBRUXUSI-UHFFFAOYSA-N 429.521 0.217 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 799078607 COFQIGBQMLNDTP-GFCCVEGCSA-N 433.324 0.878 30 20 ICED C#CCNc1nc(NC[C@H]2CN3CCC[C@@H]3CO2)nc(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 804396579 JWPHAPRKIKXBHN-MKXGPGLRSA-N 442.568 0.467 30 20 ICED Cc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 807399091 IBCBVROYYABJER-NSGIVPQISA-N 433.494 0.742 30 20 ICED Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1290130344 QYIMYFXDBLFFBI-KRWDZBQOSA-N 429.550 0.979 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CCO1 1299154545 GXPMOHXJWNYUSJ-SFHVURJKSA-N 436.476 0.646 30 20 ICED COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1316061842 SMUVSVHEKWTNAD-UHFFFAOYSA-N 434.522 0.847 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1327069600 XOKDSLAQAAAKMN-HNNXBMFYSA-N 429.502 0.631 30 20 ICED N#Cc1ccc2c(n1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1530439495 XEYDCFBPYGZOOQ-UHFFFAOYSA-N 425.470 0.667 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1556824090 UREAQFOPPFZBMK-QEORTHHSSA-N 436.515 0.722 30 20 ICED N#Cc1cn(CC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(=O)nc1O 1611107445 MQOWYRZHGXKCQK-CYBMUJFWSA-N 435.362 0.757 30 20 ICED CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615100598 MGLYWJRVCYRRIP-INIZCTEOSA-N 437.508 0.301 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN1CCCO 1726406456 QKALSQIUFHRYCB-WMZOPIPTSA-N 425.541 0.810 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1746537276 TWADCZOBYQAZSE-MRXNPFEDSA-N 441.521 0.512 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CC1 1778355314 SXEZZIZARFXARA-HSZRJFAPSA-N 439.516 0.166 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1 1779096141 NLLGESHEJYCEBI-FHZYATBESA-N 442.516 0.408 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1779227075 NAIPHSHMJNUDGT-YOXWTLATSA-N 448.907 0.802 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1)C(F)(F)F 1779559283 CTKAXEGPZDZQOG-IIDMSEBBSA-N 435.443 0.770 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(O)n1 1780244488 XJZNFBJOONFNNC-JOCHJYFZSA-N 439.472 0.746 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172968 MCZYINVXLHWAJO-MWTRTKDXSA-N 440.500 0.630 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1781265112 JMBSHKSSOCZNQN-NRFANRHFSA-N 449.529 0.817 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784092 CHUPAMNGXQVMHQ-IIBYNOLFSA-N 448.545 0.524 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]4C3)c(C)n2n1 1783683946 KHAUBPNAMPPTGG-JYJNAYRXSA-N 425.493 0.884 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783888673 AOJKKCJQJWDBQK-VPCSNGCSSA-N 443.566 0.505 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)nn1C 1784240633 JUOWZISKZUPMHY-FUMCDGHESA-N 427.505 0.963 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NO3)[C@H]2C1 1784405920 PKKRPXZOOBXLAR-DKKFBQAASA-N 425.441 0.247 30 20 ICED C[C@H]1[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1785741006 PQYVOSDIRWMBQS-WCJKSRRJSA-N 449.504 0.550 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)C(C)(C)C 1786857148 AEYGIQAIDBFWHG-CADBVGFASA-N 449.596 0.799 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176837 YICBTECFGVAAPJ-ZVZYQTTQSA-N 449.471 0.438 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OCCCO)cc3)[C@H]2C1 1789235664 VSFHYPYGAZLZMZ-WDSOQIARSA-N 430.457 0.129 30 20 ICED Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790648561 ZDBOJEQSCLAEPL-TUQLCGPMSA-N 433.509 0.700 30 20 ICED COC[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 1791259068 NGSCMZDCXWUUFL-QXKUPLGCSA-N 445.582 0.824 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2 1792484160 DMXFURSYACUZME-YJZLYRTKSA-N 430.480 0.601 30 20 ICED C#CCO[C@@H](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 1793340049 HZWYFTHPYFYJTH-GXUNQHPWSA-N 434.533 0.984 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2 1793345481 PWWFLCQBIHDYMS-KMQSCTNJSA-N 440.544 0.926 30 20 ICED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(F)(F)F 1793691474 DJSMAKKMXJXMJI-LPCIQWJWSA-N 437.415 0.418 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602696 YGDUGFUOHJJQMR-XEMDLRDOSA-N 430.553 0.451 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1797810959 DMUGNRVBQFCXGA-SXDNJMQMSA-N 442.476 0.690 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1797811059 FOVGDSCUPXAMMD-INAUSIBBSA-N 436.553 0.981 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797816043 FCJYANRUSURNCU-QRFGGRCUSA-N 445.516 0.709 30 20 ICED Cn1c(=O)c2c(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC#N)C4)csc2n(C)c1=O 1799832255 ZWQNIABZSJKTCK-QDMKHBRRSA-N 443.529 0.783 30 20 ICED 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)Cn1cnnn1)C2 1804405229 ALLVBOPEYVFJSH-UTBLSDIXSA-N 445.524 0.781 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC#N)[C@@H]2c2cccnc2)CC1 1806866834 PQGMMEODKSZDFA-KNQAVFIVSA-N 426.521 0.555 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487867 MGHXNEQXZLMPKG-OAHLLOKOSA-N 443.508 0.231 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812877757 QNKUPELWCVRCBI-UZLBHIALSA-N 425.445 0.332 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825250725 KPJSYYLDOACXRO-SCZZXKLOSA-N 427.433 0.865 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)n1cnnn1 1826977959 IJNXKOZHFHXOBG-VWTWBZIUSA-N 448.509 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3)C2)C1 1829773464 KJCQBOBNCOKJNW-OTVNPASYSA-N 430.505 0.364 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1830468606 PBNXJXPVMGUVCK-KPLVRAHFSA-N 432.904 0.919 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831628814 CQIBCVSUQALIQZ-GAJHUEQPSA-N 445.516 0.848 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419305 WIKUFSRHKCDJRK-OAQYLSRUSA-N 439.578 0.765 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833496599 PXZKBLQBABISMN-OAQYLSRUSA-N 430.461 0.438 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cocn1)CCO2 1834513082 JQKWODXUECXVLM-NRFANRHFSA-N 426.429 0.695 30 20 ICED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCC1=O 1835095721 AESQJRZNNGNBCQ-HSZRJFAPSA-N 438.484 0.103 30 20 ICED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778381 JPRNNIHIGDDZNJ-OEAKJJBVSA-N 446.552 0.541 30 20 ICED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)cn2[nH]cnc(=O)c12 1836090483 KQBNZBABZJOMSK-AWEZNQCLSA-N 446.577 0.835 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837399042 MLDBOCFHPWFELS-VGSWGCGISA-N 443.504 0.372 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)no1 1837488596 MHBUFRWUESFWHA-JOCHJYFZSA-N 446.504 0.076 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524834 OSKOBFXSHHWTCF-MTPZKLCPSA-N 436.465 0.582 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837806150 VRTDBVKZYMYZBI-CMQXEDBBSA-N 449.508 0.626 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838115694 JDYWJHBOFDREHK-JOCHJYFZSA-N 438.488 0.887 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649966 UQILIYMRNGLMHV-OMJZWIOZSA-N 448.476 0.386 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1)C(F)(F)F 1839670484 KKOGOZBUVXTESJ-QGZVFWFLSA-N 446.382 0.136 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1)C(F)(F)F 1839894093 IDWIFHUMCXDULS-SFHVURJKSA-N 446.378 0.992 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1cccn1 1840441686 DSJNTWKDQWPASP-JYTGYTCASA-N 449.508 0.430 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)ccc1Br 1845458934 KBPZJTRJCQKKBB-HOCLYGCPSA-N 433.306 0.861 30 20 ICED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 11437519 SLIKEWLSHORMKD-UHFFFAOYSA-N 440.222 0.579 30 20 ICED NS(=O)(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)CC1 32667865 WZJFQKYSTZJBDZ-UHFFFAOYSA-N 429.524 0.011 30 20 ICED CC1(C#N)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 435918084 TWAXIKXXSKHVEE-CYBMUJFWSA-N 432.424 0.990 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 441610165 ICPXQSABFQZUQV-UHFFFAOYSA-N 439.520 1.203 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N 443969488 YSMOCJDBJIPDLA-HZPDHXFCSA-N 442.563 0.527 30 20 ICED Cn1ncnc1COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 447014631 DAQCRADJXXJJSV-UHFFFAOYSA-N 434.522 0.631 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 472170622 IMCIEZXJTWRGHF-GOSISDBHSA-N 448.593 0.681 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2C)CC1 476159214 QQQKNLQKJFVDMK-UHFFFAOYSA-N 448.495 0.715 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2sccc2OC)c1=O 481588793 PKFMGFPLHVACLF-ZDUSSCGKSA-N 431.539 0.964 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 486726192 YRKKWLSPFKGTHT-RDJZCZTQSA-N 431.424 0.758 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 492774443 QVFVZGCGOTVJHB-QGZVFWFLSA-N 438.536 0.526 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 520363799 TWGSUNVSYHOKBE-UHFFFAOYSA-N 433.486 0.954 30 20 ICED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1)S(C)(=O)=O 521320819 NJWRTJGOJMDOQT-AWEZNQCLSA-N 445.505 0.207 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OCCN(C)C)c1 535696524 MXNVHXJHDGJFFX-HNNXBMFYSA-N 431.518 0.877 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 549628198 IWQDTWJXIWTTTL-UHFFFAOYSA-N 441.491 0.331 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 551065695 FYFZBCSFCNKBGN-QAPCUYQASA-N 436.424 0.900 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)S(C)(=O)=O 551189912 HNXSJAPRDYPQNR-UHFFFAOYSA-N 442.501 0.636 30 20 ICED CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 559669556 BULPLAXFZRKYJI-UHFFFAOYSA-N 438.536 0.806 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 565446077 ZPCSEORKGXTCAZ-VPKVUBIPSA-N 426.473 0.182 30 20 ICED N#Cc1cnn(-c2ccccc2NC(=O)Cn2cc(Br)c(O)nc2=O)c1N 588834919 FWQFSSUQHUFWTL-UHFFFAOYSA-N 430.222 0.990 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 588851206 CWRJSJFQLCKPST-VFNWGFHPSA-N 429.477 0.527 30 20 ICED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc(C(=O)N(C)C)c1C 590709004 OBLCDHXTPXYFSR-UHFFFAOYSA-N 447.473 0.306 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606125712 SOFIRCIKBAVFQS-IBGZPJMESA-N 433.468 0.273 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)c1 609955675 IBRJXOKZBJBEEX-UHFFFAOYSA-N 443.481 0.606 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610289650 JDUKXVHMCDMNES-QKMNUUQDSA-N 426.448 0.697 30 20 ICED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 727010238 RTBALPKVCQGFRQ-YLJYHZDGSA-N 435.502 0.549 30 20 ICED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)CC1 728570937 POKOZONCVWSLTN-NRFANRHFSA-N 439.516 0.177 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CC1 728572627 MCJYMGWKKXALDS-UHFFFAOYSA-N 446.577 0.460 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1 729687434 KGHJCSFRRNNFDW-UHFFFAOYSA-N 436.368 0.423 30 20 ICED COC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)NC(=S)N1 731594736 KIGTYJMWMRQWHF-AWEZNQCLSA-N 435.414 0.983 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H](C)O)cc1C 734562257 QFGJPUBDQCQBGV-CCKFTAQKSA-N 445.497 0.973 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037523 XLEIMNXIPDVWGZ-XLSIIYIISA-N 439.468 0.615 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1(C#N)CCCCC1 745353287 HQUDICVCKXOIMF-ZDUSSCGKSA-N 425.511 0.590 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 749743911 PGJMBKQGNAJHMB-RYPAHKROSA-N 447.517 0.317 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755547692 AYMMVVPVTVPYPU-AAEUAGOBSA-N 434.453 0.411 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC2CCS(=O)(=O)CC2)C1=O 755567516 YZDBXHWDDBWZGI-AWEZNQCLSA-N 440.547 0.983 30 20 ICED CN(C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1)S(C)(=O)=O 758779454 VSCJVFPGCFMTHD-ZFWWWQNUSA-N 429.543 0.811 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761836879 SRZLSQVLNXEZGF-UHFFFAOYSA-N 446.554 0.252 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CC 766053239 RVFLNKNLGNYKAI-UHFFFAOYSA-N 429.414 0.551 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 777918628 AZTQVUJUBGJJOX-UHFFFAOYSA-N 436.446 0.702 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 787777164 YNXQXHSRUYXODB-HXUWFJFHSA-N 436.516 0.889 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800903874 LPLKIEDASNRGQH-CABCVRRESA-N 431.559 0.818 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 810165858 FKRSBSNVMJEUSE-XDJHFCHBSA-N 431.540 0.512 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)C)CC2)cc1 918433534 NNKOQJQBCGANBL-PYCFMQQDSA-N 435.550 0.991 30 20 ICED CN(C(=O)COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1)C(C)(C)C#N 920649547 HKTGJZIGRXOZFJ-ZDUSSCGKSA-N 426.267 0.844 30 20 ICED N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CCCN(S(N)(=O)=O)C4)CC3)n[nH]2)cc1 1146298128 JQLJHICTIBIRKX-KRWDZBQOSA-N 443.533 0.512 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccncc2)C1 1555813784 SFBDYUMPEIYNIN-SFHVURJKSA-N 445.549 0.989 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC2CCS(=O)(=O)CC2)c1 1555987005 XJDGBNRHLQXAEG-KRWDZBQOSA-N 428.518 0.953 30 20 ICED N#Cc1cn(CC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c(=O)nc1O 1556394490 QLVWJZXOVVMTOB-UHFFFAOYSA-N 425.445 0.986 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585342882 ZIGSYKFTCDFOMV-MRXNPFEDSA-N 445.907 0.762 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1611767399 MAANXAAJHPDCOD-RVKKMQEKSA-N 441.579 0.745 30 20 ICED N#Cc1cccc([C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1644855802 MZROSQRAXUOUIR-LJQANCHMSA-N 442.497 0.929 30 20 ICED Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1693331298 NWQBUOLQICMOGN-JSGCOSHPSA-N 439.567 0.933 30 20 ICED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1745788356 WDBYFUKYPFFOCG-MRXNPFEDSA-N 425.493 0.957 30 20 ICED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1749619942 XOXJXWDLPTWXSB-OAQYLSRUSA-N 428.493 0.843 30 20 ICED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1752428896 SJHGWNGNXSBMQJ-INIZCTEOSA-N 447.565 0.523 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)CC1 1761546871 KKJOQWQECOZDAP-JKSUJKDBSA-N 438.554 0.920 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1769234461 TWEGXTLHKPQBEB-UHFFFAOYSA-N 446.533 0.736 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1770749230 WERUOOFYHDOTFS-KRWDZBQOSA-N 443.489 0.781 30 20 ICED Cn1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c2c1CCC2 1777960229 LUWZXGMFYLBVLL-JOCHJYFZSA-N 428.537 0.634 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778571055 IERSAPKYPMCGJN-QRQCRPRQSA-N 427.457 0.499 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1778999333 UVZSOSCZEMZTFX-HRAATJIYSA-N 448.596 0.466 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779019403 OVJNCGCEFHQTJA-AGKSWIAYSA-N 445.564 0.689 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779073224 IJQLPYNDHFFCOJ-IWERERLVSA-N 449.460 0.023 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1780101616 GXHXHVRQYPGNOT-RETMYHCQSA-N 432.477 0.358 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C\C(=O)NC2CC2)C3)c1 1780180738 KPVVHOVEWAWVMU-RAUXZBOGSA-N 425.489 0.849 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783052825 IBRQTPYAYHLSDN-JOCHJYFZSA-N 430.505 0.990 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C2)C1 1784313838 GZEBAHZCRKQADE-KKSFZXQISA-N 431.493 0.309 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(C(=O)OCC)CC3)C[C@@H]21 1784486842 RLYJVEQGYFLPQS-LEAZDLGRSA-N 449.548 0.873 30 20 ICED 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 1785574392 IVKBRVRVIBMMAR-MCFFVMPBSA-N 448.520 0.012 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1789894764 BXLRYUBIYXFQDV-FHWLQOOXSA-N 443.500 0.888 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)c1 1790228505 UICMQQHDXNJGPP-IEZWGBDMSA-N 426.452 0.972 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1791022179 LQLAGOIJEIOIJT-MHORFTMASA-N 447.532 0.625 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1792489982 CMYUDVICIXQJPV-YYWDGARSSA-N 447.532 0.368 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1793345635 YJCHPTWHKJKLJA-ROPHOZQPSA-N 430.501 0.689 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1795598433 WEGGPUXEIBOWDK-WOUAJJJCSA-N 442.516 0.698 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C 1796449247 CKBIMRNOEPHKRO-NRUGXNMXSA-N 435.521 0.529 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797927064 RJTQFSXQYGKWHB-FJRSDJNYSA-N 438.525 0.410 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C)C(F)(F)F 1798466764 RSJCJYYAFXHEGJ-DABQJJPHSA-N 439.394 0.653 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)no1 1798494594 RZDCGLIPRGSSSZ-PAQAWKDFSA-N 447.492 0.880 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1799393486 JLKZVAXJIYMAON-AMVTXUCVSA-N 443.504 0.970 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1802413385 DPYUNNQUMABTLJ-FQEHYLHMSA-N 435.477 0.085 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1806613716 OWXSWWKDMZANJA-CVDCTZTESA-N 445.479 0.691 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806854862 LJBMNQSOSKRMBB-SXLOBPIMSA-N 449.515 0.862 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1807050037 WJOWZCDTUAGQGL-OFQRWUPVSA-N 427.427 0.799 30 20 ICED C[C@H](C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)n1cnnn1 1807151796 OVINJDKTCZNPFO-NXHRZFHOSA-N 439.524 0.617 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810287621 CKCIMMPKCOQWRZ-WQMWYORESA-N 426.521 0.695 30 20 ICED NC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810358632 SOAJXHCPOBWMGI-JWPHWMAASA-N 431.493 0.882 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810361470 RTBJZFPQRQWNDK-GYSADTRGSA-N 431.493 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1812329338 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CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830634374 MYWYLVWFNMDEMQ-NZQKXSOJSA-N 445.516 0.800 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1831216450 QRLMXHQKNGPMAG-XZOQPEGZSA-N 439.468 0.591 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1831396698 PWTRRBJVLSJIBQ-OPAMFIHVSA-N 426.473 0.671 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1832056612 SNIABQKODCKMBN-NZQKXSOJSA-N 426.517 0.651 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832804498 RQBPCMMFXNOBKI-HXUWFJFHSA-N 433.465 0.441 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832941642 ARCCSJJFARLLDC-NRFANRHFSA-N 434.493 0.308 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427702 PQCBHRUOLCLRRQ-MRXNPFEDSA-N 438.594 0.299 30 20 ICED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833666239 VGVWCVMLKZYACG-JOCHJYFZSA-N 427.505 0.911 30 20 ICED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CCC1=O 1833689209 AIQFKIMDWOGOSS-UHFFFAOYSA-N 439.520 0.680 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834575219 TWGKCVYMCHOQSP-HTAPYJJXSA-N 431.489 0.507 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180119 FDKQKPGYEWHLSS-DZQSVEARSA-N 443.548 0.942 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447116 GOFCBQDMJZUOQO-BTYIYWSLSA-N 427.461 0.066 30 20 ICED COc1cccc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837130378 JEZBGZWIJIWEEV-UHFFFAOYSA-N 429.473 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147794 UHUOTOQSBNSGEC-QMHKHESXSA-N 441.484 0.038 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1837403611 WOFWNBZOENSMBS-HTAPYJJXSA-N 433.505 0.237 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837442068 NPCJFPWCVARYSO-GQBVICOWSA-N 436.553 0.731 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837493560 KOKYPPAHFTXIED-QFIPXVFZSA-N 448.516 0.095 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837531237 ZWEWYFJXJPDUAQ-IHSVQVTCSA-N 438.456 0.753 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837565300 RIGZVZZRGCLDMH-WYZSGPTCSA-N 431.489 0.722 30 20 ICED O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567501 OGPLRRKAWAAXQA-XOBIUNJKSA-N 443.504 0.832 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(Br)n1)CCO2 1838378774 IHUZTUPQWKQNAQ-GOSISDBHSA-N 438.278 0.556 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3OC)CCO2)C1 1838877891 FJTPBJGFJZSQSI-SBUREZEXSA-N 446.500 0.812 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)c1)CCO2 1838937073 OGEJJQXJOGBFAW-LJQANCHMSA-N 440.374 0.863 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)cc1 1838950482 YFNWDPRSOPLVAN-FQEVSTJZSA-N 427.486 0.981 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049152 AJSDSXPBTZJYTK-VGSWGCGISA-N 427.505 0.940 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1839085768 OTCNURYXNXLFLU-STSQHVNTSA-N 444.532 0.538 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1839228266 XWQNMAHNVGDNTM-QVKFZJNVSA-N 444.492 0.829 30 20 ICED Cc1cccc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c12 1839597387 YKMWZOAAJJMRTK-OAQYLSRUSA-N 426.429 0.029 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704846 HYPINWUPDDMAPE-VGOFRKELSA-N 438.488 0.410 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1)C(F)(F)F 1839891597 NPTGTLWFKDIYLJ-KGLIPLIRSA-N 434.333 0.875 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840159880 PVEMDNBZIXJPCU-QRWLVFNGSA-N 431.518 0.656 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840163725 NDGNXZDOUAUYJR-YWZLYKJASA-N 431.518 0.656 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840232332 UQZKYKNMDUBFLW-CVDCTZTESA-N 440.500 0.349 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840825955 XKMITFBDEJSNSG-OALUTQOASA-N 428.480 0.770 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916098 PWKWBNNWRPMREP-YTSMVRMISA-N 447.532 0.864 30 20 ICED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1)NC(=O)OC(C)(C)C 1842809280 YKHPTCIOBYNBCW-CQSZACIVSA-N 434.493 0.950 30 20 ICED CC[C@H](C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 29194056 QDNPEGLVJUJMHY-HNAYVOBHSA-N 436.534 0.568 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1=O 410308786 YLUFDODZPXVHKU-MRXNPFEDSA-N 448.568 0.895 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1F 433634358 PCGOIAKQIDLWJH-UHFFFAOYSA-N 434.515 0.434 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)cc1 445175102 SLYTWKWIMJJXRL-ROUUACIJSA-N 429.473 0.964 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 465483524 NOUOIGGFFVRHLW-AWEZNQCLSA-N 429.506 0.812 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)C2)n1 469158998 NYXRAKLPCKVSSI-INIZCTEOSA-N 444.521 0.129 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 471860620 YBQPITHDVQLPKC-UHFFFAOYSA-N 442.524 0.687 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475194682 YVDCPWJZDKSUFM-AWEZNQCLSA-N 425.507 0.383 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCCN(c3ccccc3C#N)CC2)n(C)c1=O 478900041 JHMCMOFLQKFDGN-UHFFFAOYSA-N 435.488 0.434 30 20 ICED CC1(C)COCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 481416809 QTLZUTGAWMBHOP-UHFFFAOYSA-N 435.550 0.685 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486481274 UXYCQNPQLLDRDQ-DLBZAZTESA-N 427.461 0.122 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 487972063 LTRRHWMRNJWTIM-MOPGFXCFSA-N 443.614 0.051 30 20 ICED Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 489089002 PQGHQULIGOXUKS-UHFFFAOYSA-N 445.457 0.470 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498957254 PBGBPGMVODAHKG-JQHSSLGASA-N 427.592 0.427 30 20 ICED CN(CC(=O)N(CC(F)F)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 505144101 WGCDHXATRUNJET-UHFFFAOYSA-N 449.501 0.850 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 508350626 RQLHFPRYDKSFCB-UHFFFAOYSA-N 433.476 0.813 30 20 ICED C=CCn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508892152 BUFWVCSYZNOGIK-UHFFFAOYSA-N 440.483 0.661 30 20 ICED CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 508972502 YAXOEKKICMNFNH-UHFFFAOYSA-N 435.506 0.334 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 511964118 KUDVZRZFYBTLTK-UHFFFAOYSA-N 449.470 1.000 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 512169590 IAQIMZJJSNCTHZ-KRWDZBQOSA-N 434.543 0.993 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 514913954 CWYJGTDTIIVUSE-UHFFFAOYSA-N 428.470 0.809 30 20 ICED N#C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CCO1 519279778 LIVSDRAADZTEMJ-AWEZNQCLSA-N 428.430 0.834 30 20 ICED COC(=O)CN(CCN1CCOCC1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 521927076 UWIXNYFAFLDLAP-UHFFFAOYSA-N 428.493 0.484 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 531588778 QVIVGRYFQRQSEP-UHFFFAOYSA-N 436.896 0.607 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)n1 541139930 ZWYURRAALYPHRV-UHFFFAOYSA-N 429.824 0.394 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)CC1 549831560 ZLORPIFLLKXXPF-NHCUHLMSSA-N 441.511 0.955 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3nnc4n3CCCCC4)C2=O)cc1 550071047 VHVLYQPIMYMZFK-KRWDZBQOSA-N 435.488 0.410 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 566996412 ZRGPZZZALZPLON-UHFFFAOYSA-N 439.515 0.737 30 20 ICED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 568428624 MJYKSXQPTAYWPT-UHFFFAOYSA-N 444.473 0.831 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 569405215 XFVPKWSVVXXEAW-FSSWDIPSSA-N 439.560 0.717 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N1CCC(Oc3ccc(C#N)cc3F)CC1)c(=O)n2C 579142785 AERJZBMCLVWBGO-UHFFFAOYSA-N 440.435 0.514 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 581161905 VKPXBBULFLJDPS-UHFFFAOYSA-N 443.467 0.991 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589491846 QVMLOYPECRKSSB-QFIPXVFZSA-N 442.541 0.932 30 20 ICED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 603133852 IFZJMINELLQREB-UHFFFAOYSA-N 437.504 0.875 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)o1 609268505 ZSZJTHMRXOURHA-CQSZACIVSA-N 425.463 0.608 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 609311845 SQZLKYBSUWIVJJ-UHFFFAOYSA-N 444.469 0.427 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 610210785 SDFPABPSXATHJR-UHFFFAOYSA-N 449.577 0.427 30 20 ICED CCCCN(C(=O)CN1CCN(CCC#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 611175351 FHANJPXINGQPKB-UHFFFAOYSA-N 433.557 0.851 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 728532916 OJUYJDIEBPETNY-UHFFFAOYSA-N 431.294 0.537 30 20 ICED COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)NC(=S)N1 731594739 KIGTYJMWMRQWHF-CQSZACIVSA-N 435.414 0.983 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 731764469 XNURPUKWMNIRQM-UHFFFAOYSA-N 446.464 0.799 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 733150657 SDPDUEUEMQCFAP-UHFFFAOYSA-N 438.525 0.410 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H]1CCOC1 733721430 GEDIALOGUBOQLD-OCCSQVGLSA-N 429.520 0.519 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 734226087 SPLWGKDSHFOWRD-RNWAHURQSA-N 449.533 0.563 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)c1 737239110 BKCLSFPAOUVGJT-JCMHNJIXSA-N 438.506 0.896 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCc1cccc(C#N)c1 746559556 HCMDYYPRCALNAR-UHFFFAOYSA-N 446.485 0.391 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn(CCOC)c2)c1 747786489 ICBNAMDBWPPRQC-UHFFFAOYSA-N 432.502 0.565 30 20 ICED CC(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 752331755 AIKCQDKZGBCOOW-ZDUSSCGKSA-N 430.450 0.407 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)c1 753657484 ILOYTHNVCWMIEF-INIZCTEOSA-N 444.465 0.711 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 753831695 RAWQCZQIYBJKJX-UHFFFAOYSA-N 440.525 0.876 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cs1 754994245 XQSIMRSSPLKDIM-UHFFFAOYSA-N 427.533 0.482 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOC(C)C)C1=O 758054768 NQSZHTZRXWUPNU-OBAOGOGRSA-N 442.563 0.695 30 20 ICED CNS(=O)(=O)c1cccc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 761726805 NEBICJMXQOBWFT-UHFFFAOYSA-N 433.471 0.883 30 20 ICED CO[C@]1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCOC1 764455376 ZNFMGJHYILGQKB-ODENVGOISA-N 438.506 0.360 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc[nH]n1 772519614 ZJKYKTFBWXJHHI-AWEZNQCLSA-N 428.405 0.083 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 772573309 NRDZXNIYHQFZQO-UHFFFAOYSA-N 439.559 0.621 30 20 ICED COCc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)co1 775078044 NKIQYMKSKALJOX-UHFFFAOYSA-N 448.457 0.383 30 20 ICED O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 777911529 KPXONSGCKNIILM-NSHDSACASA-N 432.424 0.642 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCOCC 777946627 GMSVCNOVPSXMSK-UHFFFAOYSA-N 446.460 0.799 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 783012412 GLZOKOVBSCFPHY-UHFFFAOYSA-N 434.540 0.298 30 20 ICED N#Cc1ccc(N2CCC[C@@H](OC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785656188 JOPBUIHEJVQUJA-AZUAARDMSA-N 440.500 0.778 30 20 ICED C=C(Br)CNC(=O)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 787179315 QVFRHWUSOCYANR-UHFFFAOYSA-N 428.283 0.851 30 20 ICED COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802458151 PJCUFRSRFXLVEF-PBHICJAKSA-N 434.522 0.984 30 20 ICED COc1ccc(OC)c([C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810348537 XBWGYRQVULVUCY-KRWDZBQOSA-N 436.428 0.944 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)s2)c1=O 838290195 OVXMNRZIZZPQOG-NSHDSACASA-N 441.962 0.925 30 20 ICED C=CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1116350101 SJDFXFBWFPNQER-LSDHHAIUSA-N 430.552 0.165 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 1116473982 UQBZTJNZZOIXFC-FQEVSTJZSA-N 446.596 0.115 30 20 ICED C[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OCc2ccccc2)C1 1148392923 NTYCLNIWBHRJJU-OAQYLSRUSA-N 425.445 0.986 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CC1 1288861348 ZGXZDOHTFIEKAZ-AWEZNQCLSA-N 430.538 0.892 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1316101273 GDWYRXUWMAALSR-OAGGEKHMSA-N 426.543 0.633 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318476119 OTFPKMHYDIIGDK-INIZCTEOSA-N 433.490 0.257 30 20 ICED C=CC[C@@H]1NC(=O)N(CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1=O 1320895903 WKSBCVLYUNAUQZ-AWEZNQCLSA-N 431.492 0.288 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1321884923 ZRYCVWQUPGDFJV-LQWHRVPQSA-N 446.529 0.695 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1436253276 UMGJREBWPYXZSK-VXGBXAGGSA-N 444.435 0.594 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1 1455280208 NKKOYDNTUFNVNP-RDTXWAMCSA-N 431.470 0.962 30 20 ICED CN1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503682806 YEZRIACOGUYSOI-NQIIRXRSSA-N 444.561 0.755 30 20 ICED COc1ccc(OC)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1504299742 MIJKKDOOVKWDMC-WMLDXEAASA-N 447.517 0.974 30 20 ICED COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1698064027 SVRQDLJXURZGQT-FQEVSTJZSA-N 449.533 0.466 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1706073835 URSNVUUCIIEJDW-JLTOFOAXSA-N 447.517 0.862 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)CC1 1740823100 XIXCHLKACFMDHC-HNNXBMFYSA-N 448.977 0.132 30 20 ICED COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1768200176 RVNOMURORYPEHZ-UHFFFAOYSA-N 434.522 0.845 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1770412580 KZLVJQNJIKGEJQ-JKSUJKDBSA-N 446.533 0.964 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1779019628 BSUCBQRBDCVHGX-CQXWKZFQSA-N 428.537 0.816 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779100538 BFMQFXYGUJPBFV-KABCZVCOSA-N 442.476 0.702 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1779102110 WURMSEMYIKQDGY-CFFCXZSUSA-N 435.481 0.401 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccccc1=O 1779102771 IYBTWETVTLJOJX-KJVBMENBSA-N 446.504 0.768 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779104769 NWNHWZUUEDYHOU-VXTZTNHISA-N 438.525 0.068 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1779429574 VZSNSTBJENGEDL-NCGMZSNXSA-N 435.521 0.922 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173747 CTWZYLKMOGRIQF-SIKLNZKXSA-N 444.488 0.161 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781240284 FHPUEHQAEYZTMG-QYWGDWMGSA-N 438.525 0.420 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c([N+](=O)[O-])c1 1781413810 DQUICESLGYVBDU-FQEVSTJZSA-N 431.401 0.064 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CN5CCOC5=O)CCO4)C3)c2c1 1782195073 VMRVBVJCHKGNSN-OAQYLSRUSA-N 438.444 0.330 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1783054324 GQBZZVHTZKDRDI-IIBYNOLFSA-N 433.505 0.476 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 1783528544 WTXOXAIKCRNVCK-VIXCZISXSA-N 443.500 0.609 30 20 ICED CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783565926 SCAAECQRDIKERZ-QVKFZJNVSA-N 437.493 0.598 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090847 YGDKENYEXNNYNT-YCRPNKLZSA-N 446.508 0.814 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1784786541 ZJWKARRDXAWYIE-FJIDUMEYSA-N 438.569 0.997 30 20 ICED C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)C(F)(F)F 1784875058 YGZBTUYPLSSJHH-QDOVLLSLSA-N 431.411 0.992 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1788601073 JHVOQJCVINMQDN-RJFXPXJYSA-N 448.499 0.847 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c1Cl 1789267921 IGMIXTSHHAHERJ-LLLHUVSDSA-N 447.923 0.398 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789272589 XMDVFABEEATXDL-XIRDDKMYSA-N 440.460 0.576 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509421 UDIFARCMWLANGT-LSTDLKDCSA-N 430.461 0.216 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4C)[C@H]3C2)c1 1789942316 SKRKRHDINUXYIF-KNTRFNDTSA-N 440.500 0.781 30 20 ICED Cc1cnn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c1 1795887338 MQMRMQMGPHPNEN-CWPLJXCYSA-N 433.472 0.843 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1[nH]nc2ccncc12 1796212942 SVVSEHJVHNQXLG-HZJZVWOPSA-N 425.493 0.633 30 20 ICED N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)c1cccnc1 1797811867 ZFJGTOFCHSYMDH-SVDQLPMDSA-N 445.520 0.590 30 20 ICED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)CC1 1797816821 SZAXVZQKIDZERP-IJOJXHKHSA-N 437.493 0.448 30 20 ICED 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#CC(=O)O)C2 1799322405 IYJXORBTFWDSBP-RCJHGTSTSA-N 449.504 0.524 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799683745 MHPIBLISTBQJGB-OWVAZHOYSA-N 442.513 0.220 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)N(C(=O)OC(C)(C)C)C1 1800781053 FZLBCGVRUGSFOV-RCJHGTSTSA-N 447.488 0.230 30 20 ICED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801442875 JTGTYVSTSMHLOV-QTTPAESDSA-N 432.477 0.326 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)c(O)n1 1802914817 NCGCVTIUMHENMG-YJBOKZPZSA-N 426.473 0.931 30 20 ICED NC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810358634 SOAJXHCPOBWMGI-LQASZQKZSA-N 431.493 0.882 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(F)cn3n2)[C@H]1c1cccnc1 1812291490 DMFKKVNAZDIRTE-IFXJQAMLSA-N 436.403 0.671 30 20 ICED O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)CN1 1812639131 GSBISGNNZSTWAM-DXIQSLLYSA-N 438.528 0.922 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)[C@@H]1c1cccnc1 1812878504 JATIRXGNLKYZCT-TXTKFYIRSA-N 432.480 0.890 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1814986164 XKEVVTXPYVAVTA-QWHCGFSZSA-N 432.550 0.863 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819425688 UFCZEHHHBMNXGF-MRXNPFEDSA-N 426.481 0.787 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829918961 KFPPODSFIHWWPH-CVDCTZTESA-N 434.533 0.711 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1830060226 KBKLUNRGRUYYDB-OAQYLSRUSA-N 426.477 0.278 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831632349 NFNMNWOTCXIPBX-QRQCRPRQSA-N 441.488 0.787 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)C(F)(F)F 1832800599 VMQLRNXSKJHFBC-MRXNPFEDSA-N 447.370 0.366 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1 1833074008 XZXZYILRGVYVEN-ARJAWSKDSA-N 440.548 0.449 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)c1F 1833738456 ARVJBKCBDWDMNI-VBKZILBWSA-N 439.488 0.982 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)C1 1834325849 QJANFINHBPEING-UHFFFAOYSA-N 440.548 0.778 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1834756273 SCEBIEJKVJEWHZ-IERDGZPVSA-N 446.529 0.467 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1834766081 VIQOAOGORGUFFD-JOCHJYFZSA-N 427.505 0.668 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672975 PGWLQGSPUKVZFP-HXUWFJFHSA-N 436.488 0.209 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169557 VSKOQKAWIKFGKJ-OAHLLOKOSA-N 426.521 0.762 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190103 JGZJVIYWKFVKGI-GWYVQQBTSA-N 446.504 0.610 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836589848 DIRPVJITSAKLIY-VXKWHMMOSA-N 435.521 0.723 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837019952 PTUOHQVSYGUFRI-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1)C(C)C 1837212461 AKEYBIMYPIOLQT-QKLQHJQFSA-N 430.567 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837399449 UESJFZJFLNOSRZ-AVRDEDQJSA-N 443.504 0.372 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837527592 QPUZBINNZVIHFS-HCQBAUJFSA-N 448.520 0.933 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837694809 PEJSFEFBBTYNJU-WZONZLPQSA-N 425.485 0.185 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837746873 OIQVAIJECZDESS-XOBRGWDASA-N 432.502 0.733 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838120941 OENRUJZKYUYPLT-QRWLVFNGSA-N 431.518 0.656 30 20 ICED CCOc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1 1838561054 YLOYRLIZELQECZ-UHFFFAOYSA-N 430.461 0.576 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1 1838829831 UBPBKVYFFJWFMG-YLJYHZDGSA-N 438.550 0.900 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839174123 HFJRTSIYGVWFME-OAQYLSRUSA-N 434.445 0.219 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1839174767 VYXBRXHBKMSTDF-QFIPXVFZSA-N 433.505 0.913 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839224837 PXHYAKVGGKZSDF-VFNWGFHPSA-N 444.492 0.829 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)C2)C1 1839806260 HRIYQSKGQWPXOB-URXFXBBRSA-N 439.512 0.757 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840159036 VRVOTTLWYBALTN-QRWLVFNGSA-N 431.518 0.656 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840160167 AOULCFBBVHSUQV-KPZWWZAWSA-N 440.478 0.387 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1840167719 IXDGELWEBAJMKN-DKICVRJWSA-N 436.534 0.049 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840293058 FAGUSSNLWPBVLH-JOCHJYFZSA-N 432.521 0.793 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840318859 FDWCWMCLQQRDNW-QFIPXVFZSA-N 444.488 0.303 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1840714470 VACDMPUDRBYOND-VGOFRKELSA-N 438.488 0.675 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840716660 PKICBAURAKQLJW-ZHRRBRCNSA-N 425.441 0.472 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800512 KMRSEFAJUDJZEV-HSZRJFAPSA-N 427.501 0.676 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1840909063 LXEIGDORUVJSLB-VLIAUNLRSA-N 445.463 0.625 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844738861 ONSNBYGQWOMRIB-AWEZNQCLSA-N 425.445 0.534 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCn2cncn2)C1 1846547804 LZLVTXLHILZSMZ-MRXNPFEDSA-N 430.509 0.788 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)CCOCC1 1847711151 MDHOKPDMDAXYBF-HOTGVXAUSA-N 449.504 0.598 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)[C@H](F)C1 1847724923 JLPWUJCQXWGHKR-WCVJEAGWSA-N 437.468 0.871 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)c1ccc(O)cc1 1848033748 QNFUPXOHHZEQFG-WDSOQIARSA-N 438.484 0.643 30 20 ICED O=C(NCC#Cc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 61661081 IJURAOHNIVXOEW-UHFFFAOYSA-N 427.530 0.884 30 20 ICED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 437535234 KXSSJBLAGMSYDH-CQSZACIVSA-N 437.460 0.958 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 442349651 LGPRCVIJPZVRAI-UHFFFAOYSA-N 446.460 0.973 30 20 ICED CC[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1OCC(=O)N(C)C 444502424 OUTAFLFNOLEMRR-INIZCTEOSA-N 426.477 1.470 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccn2)CC1 460602371 SHELVOZIYUJRLO-UHFFFAOYSA-N 445.487 0.541 30 20 ICED COc1cnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)nc1 462124468 VDIXPTNVHZGQMB-LLVKDONJSA-N 428.434 0.949 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)cc(OC)c1OC 471092795 OUTWRJQOCBPWFY-HEFCMCLBSA-N 443.460 0.725 30 20 ICED CCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472050764 BKBPASAFHOQXBK-UHFFFAOYSA-N 445.549 0.930 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 478303254 BZJIPFHGIVZOFT-KRWDZBQOSA-N 449.577 0.739 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)n1 479373071 GFDHBXQFFSHCCT-UHFFFAOYSA-N 438.431 0.907 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 489022280 WVUQXSLDVHMDKE-WBVHZDCISA-N 442.541 0.804 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(N)=O)C3)nnc12 497446569 YQYATBLTSSBSPU-CQSZACIVSA-N 428.474 0.035 30 20 ICED N#Cc1nc(N)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1C#N 504164232 JDXMQJPBSSNHDH-UHFFFAOYSA-N 427.490 0.700 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC1 505011860 AXFPTKGJUQAXOS-UHFFFAOYSA-N 436.516 0.746 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)C(=O)C1 508745250 FZZKCIUEWJPQLT-UHFFFAOYSA-N 448.549 0.676 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 510216343 WOMPQJICUMGHKO-UHFFFAOYSA-N 449.467 0.782 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 512371350 HAPXIDKZXXSKDS-SJORKVTESA-N 431.518 0.728 30 20 ICED CN(C)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 517108923 DIIKMNODASRZKQ-UHFFFAOYSA-N 442.501 0.491 30 20 ICED CCNC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 517592896 QOPKBKQORNFHEN-UHFFFAOYSA-N 433.534 0.833 30 20 ICED Cc1nc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)no1 553102138 BMJNXYBTDRXYSL-QGZVFWFLSA-N 429.550 0.966 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCN2CCCC2)CC1 558181668 WLSUOEVXOGNJDO-UHFFFAOYSA-N 429.521 0.762 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(OC)c1 558460192 PAEFYOCCGFZYAJ-QGZVFWFLSA-N 436.534 0.893 30 20 ICED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 573756816 KZCWDJHOYXDSCK-WMLDXEAASA-N 427.505 0.537 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 578345181 XSKWNIHVXYFBRR-UHFFFAOYSA-N 430.490 0.641 30 20 ICED CN(CCn1cc(Br)cn1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 581342470 QVJYPMGBZPODJU-UHFFFAOYSA-N 426.296 0.954 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 608912194 OVMZYVSVTUHJLX-UHFFFAOYSA-N 432.452 0.235 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccc(OC)nc1 610245074 JRNXNJGMLCDDMI-UHFFFAOYSA-N 436.493 0.698 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3ccccc3C)CC2)C1=O 726038768 RDNDWFZQGPQEOA-UHFFFAOYSA-N 442.472 0.159 30 20 ICED C#CCN1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 729812282 QVBUOTZAFATFQH-IBGZPJMESA-N 433.530 0.794 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 731861710 KXYJPMIPEXGRHR-NXHAUGRDSA-N 438.440 0.718 30 20 ICED COc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)c(OC)c1 732155029 XHCQOVSKBNJODZ-OMEIHDDLSA-N 428.445 0.699 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(F)c3C#N)CC2)cn1 751445948 KLDQLVWNGNELJS-UHFFFAOYSA-N 427.483 0.562 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 757059439 FMLTYEBKFFJNTK-CQSZACIVSA-N 439.501 0.466 30 20 ICED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1C#N 758866784 IHASYNUKGMFXID-HXUWFJFHSA-N 440.416 0.438 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758952055 SKIBZZXNGFEDPJ-UHFFFAOYSA-N 443.481 0.075 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccon3)c2=O)cn1 765146453 UZYGSXCRPGEDFZ-UHFFFAOYSA-N 438.513 0.724 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766253552 CRHQJTGVGYGDJL-GOSISDBHSA-N 446.529 0.619 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 767625312 AWNRVPLLAFWGLL-GFCCVEGCSA-N 443.437 0.982 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1cccc(C#N)c1 767681980 UMGRWWIGEAPZOI-CQSZACIVSA-N 426.454 0.956 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(C)c1=O 771892335 ZDXRBEDHGDJUDJ-UHFFFAOYSA-N 433.402 0.565 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 773337824 LQXRLHSTZJKMFA-UHFFFAOYSA-N 445.497 0.878 30 20 ICED C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 776089174 RACSCNCAVHINQB-OAHLLOKOSA-N 441.531 0.365 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 783481912 RJKZZLAVJKHHMA-KRWDZBQOSA-N 449.529 0.521 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 784925149 RPQGTUCDQYPQQD-IRXDYDNUSA-N 431.514 0.908 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 787780693 ZXLYXOUWUGRMAT-UHFFFAOYSA-N 440.479 0.898 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2cc(Cl)cc(S(N)(=O)=O)c2)c1 798563544 AUAZICHRBBSAFH-UHFFFAOYSA-N 443.890 0.881 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799284959 RWAHMJCAYBVXOH-ZDUSSCGKSA-N 425.283 0.510 30 20 ICED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 807828443 NTFJQIUUDHFZLG-HNNXBMFYSA-N 428.493 0.585 30 20 ICED CC1([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)OCCO1 808237484 TXVJYLORTOFGJI-MOPGFXCFSA-N 440.500 0.777 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3cncc(C#N)c3)ncnc1-2 810045998 CLSYAIWXUODWPM-UHFFFAOYSA-N 437.283 0.156 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 814573987 VYKJTICPHVZTKU-HKUYNNGSSA-N 449.529 0.976 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856697657 YTPSPTPQEWTTST-LJQANCHMSA-N 433.490 0.378 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 914850725 QXKHUKQBVWYQLM-UHFFFAOYSA-N 441.469 0.917 30 20 ICED N#Cc1cn(CCNC(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)c(=O)nc1O 1167528073 XVQKTEPIAMWQQI-LLVKDONJSA-N 432.234 0.825 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1286883341 MTHDIQLZWWYJMX-IBGZPJMESA-N 426.477 0.813 30 20 ICED CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1360149681 YRTOFTCUBUZUEY-NRFANRHFSA-N 444.561 0.897 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1503828979 JZQNPWYWNPESSM-MRXNPFEDSA-N 441.517 0.969 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1518918987 TUAVPPPWIROVCJ-FXAWDEMLSA-N 447.517 0.218 30 20 ICED CCOc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nn1 1585401727 UBWQCDMZXUGDRJ-UHFFFAOYSA-N 430.490 0.263 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1707833309 RKWVIWSIMMCWTO-CYBMUJFWSA-N 426.403 0.547 30 20 ICED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1712464508 NHZMNMJBIQGEKV-CQSZACIVSA-N 436.542 0.519 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1741055970 WCJJKJUFWHUYTL-QFIPXVFZSA-N 439.520 0.464 30 20 ICED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1748415746 CMDDMGHGCQCSAO-IAOVAPTHSA-N 437.570 0.490 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1767439375 MNAVDPTVAUWVIO-WOJBJXKFSA-N 436.488 0.621 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778384068 UNDRQQGWKCSBOR-QVKFZJNVSA-N 446.508 0.261 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1778999921 NQIBGRHEWRJTOU-UTKZUKDTSA-N 436.629 0.460 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779333925 JPHKXVPKFDAWGZ-DRSNIGMVSA-N 446.504 0.875 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779692129 WXDQYDQRDKBANW-AVBTWRTFSA-N 430.461 0.341 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779695660 BDLVLLJTRJVPHZ-DRSNIGMVSA-N 446.504 0.875 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CO)o2)C1 1779710940 MJJOXSGYBVCZQS-YTWXUOMVSA-N 431.489 0.758 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cnc2c1 1780333925 ARJSMCIZVKIYMW-QHCPKHFHSA-N 446.467 0.960 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(-n3cncn3)c2)C1 1781128280 JGZQOAMHGDOFDK-XMSQKQJNSA-N 437.456 0.483 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1781960338 KXOOMIWLNAMSNA-FQEVSTJZSA-N 442.407 0.946 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782666480 IZXJWDXAULDYDA-JOCHJYFZSA-N 437.456 0.024 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782709809 RZUCFKGBLROGON-MWRMKQMVSA-N 441.481 0.907 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C)CCO2 1783049321 UHPIWAKEFFYBGL-YVHKJVDXSA-N 435.521 0.769 30 20 ICED C=CC[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1783871900 UISGVMKFOQVFNR-VGWMRTNUSA-N 441.525 0.136 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1783921959 PBRSXJIATFMYLH-CAMMJAKZSA-N 429.904 0.807 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784545187 CRKAQEHMMHDZIS-JTSKRJEESA-N 429.521 0.961 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785554944 GFBBWFKOVPHDDI-PMAPCBKXSA-N 427.501 0.673 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)C(=O)O 1786894262 QIVYVBBYOJGFEL-WNHJNPCNSA-N 447.919 0.734 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]3C2)C1 1787392463 FYYCWHZAQWMFPS-DKIMLUQUSA-N 437.537 0.818 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 1788572938 UISKHCYXJNBJFG-PBWTXFEYSA-N 434.537 0.696 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)cc1 1789759612 JYBJMFOCTYNPNU-SXYSDOLCSA-N 426.517 0.193 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1792493689 OZYFASVMWARORM-WCXIOVBPSA-N 429.583 0.896 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1795082340 HQAKUIWHELQQIX-BZBKMWRSSA-N 429.218 0.131 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nc2nccn12 1797839664 RZLPDNUKVJGCBI-WSOVOLMPSA-N 436.472 0.953 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)c1 1798578482 SVURSJHATSIBBZ-XOIINTDNSA-N 440.416 0.715 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn(C(F)F)c2=O)C3)c1 1798693708 GUGDOKKLTKKPOP-YWVIFJGQSA-N 431.399 0.960 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCCOC3=O)cc1)C2 1800779489 LBWVQBGLNHILJW-CWPLJXCYSA-N 441.440 0.325 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1800991454 BOBNLBTYRBHSNR-BKEDOTJMSA-N 428.489 0.386 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1802035017 GJRQEIRWWGKYCM-PCYHYHJXSA-N 438.525 0.410 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1803544700 LORCNMKYQKAZRQ-FPAYPSAMSA-N 435.546 0.806 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)OC)C2 1804376682 PXNZMXLFTHNBFD-FZKCQIBNSA-N 436.509 0.897 30 20 ICED N#CCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807737374 KSUSYPKXIWIACK-SCLBCKFNSA-N 428.474 0.466 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1813265323 QABGCTIFNXEEAA-FUHWJXTLSA-N 430.509 0.725 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)c(=O)nc1O 1814035016 BMYVUTRMVXLFKW-RXVVDRJESA-N 435.484 0.772 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3ON=C(c4ccccc4)O3)sc2C1 1819592556 FBGQCEOIQACRRR-BLVKFPJESA-N 440.437 0.878 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1825250247 JCIHYTIZMGYJIK-VIFPVBQESA-N 438.393 0.991 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)C1 1829675273 UYQKDHUYFSBVLQ-LJQANCHMSA-N 439.559 0.269 30 20 ICED O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CN1 1829949070 SDFBNXYFFWOKAI-WMZHIEFXSA-N 425.485 0.021 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C(=O)C5CC5)CCO4)C3)c2c1 1830602809 HLWZHWWOIKEKCW-JOCHJYFZSA-N 437.456 0.484 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1830634389 CMMHABKKMRMVHI-DYESRHJHSA-N 442.578 0.892 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830641266 UGYMUYXDKNSODG-JOCHJYFZSA-N 443.504 0.414 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831195838 GZUMUJQXBNVWKW-UYAOXDASSA-N 429.583 0.704 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831391744 GMBUUGVZCLHNOM-BTYIYWSLSA-N 427.461 0.066 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831418535 CHKWKBHMOALPIS-JPYJTQIMSA-N 442.516 0.924 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831435018 JBEJKDRJWXEMMT-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1832455910 BQUSCQIWVPSGHX-JOCHJYFZSA-N 445.541 0.919 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1832457624 ZPYJSTXKGLOWMQ-HXUWFJFHSA-N 435.502 0.800 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474520 DJAUYWRDAABDHA-JOCHJYFZSA-N 438.440 0.341 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1834398073 OONWTAQQGPPGFF-CQSZACIVSA-N 442.520 0.478 30 20 ICED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1834406587 FXISMTXXZGVTDS-VQHJOYQZSA-N 449.508 0.502 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834848237 KYJWRNXZUZAEHK-QFIPXVFZSA-N 429.473 0.510 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1835673028 RPTHPGCSVBFUAG-LJQANCHMSA-N 439.900 0.680 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041870 BRHTXHISPYSYQG-SWHKHVPSSA-N 432.502 0.854 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c(Cl)c1 1836213058 UFUCEGFAAKRZIF-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C[C@H](NC=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1836403933 SAHSPDZUXOMLQY-INIZCTEOSA-N 443.523 0.946 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1836858493 PCTRARCNOBNNKF-MRXNPFEDSA-N 447.492 0.828 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836868461 VVUUFDUIFLKXGI-UZLBHIALSA-N 439.553 0.727 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1837071721 ZGONSCBUBWMIJB-GOSISDBHSA-N 443.566 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155279 DRRLKGJNVVAGQA-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1837300420 DVNBAEDNVDRTNA-VGSWGCGISA-N 431.489 0.924 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837398608 GDFFWWWJWWRUOZ-NTKDMRAZSA-N 448.560 0.715 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837490932 GFGUYVCAMOXOJR-QHCPKHFHSA-N 445.491 0.989 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524585 JVQUMDDNAHKZSE-CHKZVEJASA-N 435.481 0.019 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837527778 WEDBBUCWMMITCR-HUPWQOHGSA-N 425.482 0.151 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964070 MMQYUGZZEIQSOV-HLQTZPMBSA-N 448.524 0.806 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838067471 KMRWORRSFYZEID-KRWDZBQOSA-N 430.509 0.945 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1838580537 IMVLRWKEHWIJAZ-JOCHJYFZSA-N 439.472 0.534 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453506 OLLDUOHBZAZSFF-KSFYIVLOSA-N 428.489 0.461 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnc[nH]5)C4)C3)c2c1 1839487311 AQZHPXHLNSLKSC-OAQYLSRUSA-N 435.444 0.541 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(Cl)c3F)C2)C1 1840044921 HCQNNKYBDNDWFL-LJQANCHMSA-N 442.802 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1845189039 LMPQFORUSXTSOA-HNNXBMFYSA-N 425.482 0.542 30 20 ICED COCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(C#N)cc1 58397634 NVVAXAONIIONHZ-UHFFFAOYSA-N 443.548 0.010 30 20 ICED COCCN(C(=O)CN1CCC(C#N)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 60893678 RJELLUYXKVQGEP-UHFFFAOYSA-N 440.504 0.382 30 20 ICED C[C@@H](c1nc(-c2cccs2)no1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410121864 KVVFWOUAUZMDSO-UONOGXRCSA-N 438.535 0.946 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 431965096 PQCPFZGHZQSIPG-UHFFFAOYSA-N 435.488 0.781 30 20 ICED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 431991673 LLBYOARICXTRGP-UHFFFAOYSA-N 435.488 0.781 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)C[C@H](C)C#N 437392895 DLQCGMFWXCXPSQ-CQSZACIVSA-N 437.522 0.188 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cn2)C[C@@H](C)O1 438753403 HWULUKROUOUUFX-IAGOWNOFSA-N 447.540 0.151 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)OC 439451332 YEIRADRICLFIGD-MRXNPFEDSA-N 440.522 0.224 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 444796603 BBGPVGBUDIYQSN-QGZVFWFLSA-N 431.541 0.853 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 446125143 FRZSDWWKEPKZEV-UHFFFAOYSA-N 427.526 0.999 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 467134564 YDYHXXWBRRVGNO-UHFFFAOYSA-N 432.430 0.661 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C1=O 477291641 AKNWJBZSHSMNQH-SFHVURJKSA-N 438.488 0.383 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482376862 HLJODAWLPUBUJF-ZDUSSCGKSA-N 448.526 0.722 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 482833177 DRFWPWHOFXLQFI-OAHLLOKOSA-N 442.497 0.915 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 491018795 LXXIPHQEYQSGGX-UHFFFAOYSA-N 447.923 0.852 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 491261172 XQZKORQVXDPKGT-UHFFFAOYSA-N 433.534 0.039 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 497457374 BTAFXLVBOOWFBJ-UHFFFAOYSA-N 427.553 0.134 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1 508367672 YLQVIHVJSYPOSA-UHFFFAOYSA-N 435.419 0.974 30 20 ICED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(C)c3=O)s2)cn1 509383389 IBQRSOAQOKADMC-UHFFFAOYSA-N 441.538 0.271 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 520241593 BTYYMJCKOOZPNJ-IBGZPJMESA-N 428.537 0.465 30 20 ICED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1)S(C)(=O)=O 521320820 NJWRTJGOJMDOQT-CQSZACIVSA-N 445.505 0.207 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)nc1 522017409 DDRSNKJQLHEHKD-UHFFFAOYSA-N 448.527 0.750 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCS(=O)(=O)CC2)CC1 533300074 ZVUDBCIVXUDBDP-UHFFFAOYSA-N 433.490 0.575 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 538254151 MXYCQVVVFULBPV-AWEZNQCLSA-N 449.537 0.960 30 20 ICED Cc1c(C(=O)N2CCN(c3cnccc3C#N)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 553356138 RGRRZDSKSQOEMS-UHFFFAOYSA-N 430.446 0.780 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNc2nccc(C(F)(F)F)n2)cc1 558527201 BSVGTDDMKCKIFL-UHFFFAOYSA-N 428.396 0.874 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 603795816 UOSKMQJVPDTJQZ-UHFFFAOYSA-N 445.516 0.837 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccccn2)c1=O 604269872 GWNRYWDYMLVNOI-UHFFFAOYSA-N 433.493 0.535 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)s1 610425276 XIYWZOHWFYBQTF-INIZCTEOSA-N 441.579 0.355 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 674997442 ODYXDUGMRYERDH-QZTJIDSGSA-N 437.518 0.838 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 728536383 YGIFRNJRPDXJLP-UHFFFAOYSA-N 429.498 0.761 30 20 ICED CCNS(=O)(=O)CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 731646585 IHNWNVQOINUXKC-UHFFFAOYSA-N 430.552 0.341 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)NCCNc2ccc(C#N)cn2)c1 735511659 ZHERNROEGMCMNU-UHFFFAOYSA-N 432.506 0.789 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3c(c(O)nn3C)c2C)CC1 742250518 IVQYKZFPURBNPV-UHFFFAOYSA-N 426.521 0.507 30 20 ICED C[C@H](CC(=O)N[C@@H](c1ccccc1)c1nn[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 743317700 WQHFRQNBDSCMOR-PXAZEXFGSA-N 425.474 0.923 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746353247 AILBFCPCRMIPFA-UHFFFAOYSA-N 430.490 0.623 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1 749873293 FWZBHHHJIOVLRF-JOCHJYFZSA-N 426.473 0.436 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 761030009 CJSNUWOYAATFFV-CYBMUJFWSA-N 429.340 0.861 30 20 ICED CCOc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1OC(F)F 771896660 GCKYDUKGCFCSRS-UHFFFAOYSA-N 432.405 0.397 30 20 ICED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 776117081 ICKXTLNAWCBJPM-CQSZACIVSA-N 430.464 0.498 30 20 ICED C=CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 777515469 RGFZVIKXXHWNON-UHFFFAOYSA-N 431.470 0.926 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CC[C@@](F)(C#N)C2)cc1)S(C)(=O)=O 786135835 NVNVEBVOQODECS-MRXNPFEDSA-N 448.498 0.438 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)NC(=O)OC(C)(C)C 804045313 NOQYQVVXTRPEQR-YOEHRIQHSA-N 443.504 0.805 30 20 ICED COCC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810468894 XUQQTFRAUPGCKK-HDHZYAPQSA-N 440.522 0.606 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 834848814 ITBBMTJTLGBVED-OAHLLOKOSA-N 444.531 0.343 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 918238742 NHJLZSUJHHZJBF-HAVVHWLPSA-N 449.533 0.567 30 20 ICED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 1248733479 YBSJMZOBISGECA-CQSZACIVSA-N 449.533 0.442 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(CC(N)=O)C1 1318459018 DGBNBVYUVCMDMN-HOCLYGCPSA-N 435.550 0.350 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1554505560 XEYVOGYMPKCCCL-IRXDYDNUSA-N 443.533 0.613 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1615973717 VYCKIJNCRJZTTJ-MRXNPFEDSA-N 431.522 0.423 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1619877864 RYKWLRZQJWBAMT-HXUWFJFHSA-N 425.537 0.916 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1620169244 JYNBCXUYBBDTIA-IAGOWNOFSA-N 431.522 0.417 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1722480064 OJBIJUAOFJYMIM-GHMZBOCLSA-N 435.348 0.464 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1779107600 UUFNCCSBRSNIQC-ZISMNVMJSA-N 442.476 0.930 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779318909 MXZRFVHAUPGYNJ-UGKGYDQZSA-N 428.489 0.461 30 20 ICED Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422869 QGKXINNDYCEUER-SZPXKYLOSA-N 434.497 0.770 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1780169279 PEAMCNQUMQRNED-YCRPNKLZSA-N 449.529 0.691 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1780804029 MTFJRNHMZMQAAR-BXTJHSDWSA-N 435.529 0.634 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)ccc1F 1781779382 KNTVKCHBQWJVPN-LYHRCORUSA-N 442.491 0.890 30 20 ICED O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1782314071 JOKOWETWDHNHEZ-NTKDMRAZSA-N 435.480 0.477 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782409443 ZTDDSTHKCBIPAT-QHCPKHFHSA-N 439.516 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC(=O)OCC)C[C@@H]21 1783530547 DCBQALISWIDJIA-GVVOSDJISA-N 437.493 0.386 30 20 ICED C[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2)C1 1783782315 WGOBHWSHQGKPDN-ARGWCVDVSA-N 445.582 0.799 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783785384 JUTNKASQGWHLOK-VFNWGFHPSA-N 439.509 0.849 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1783918341 RRWUYGGCWBBHMY-WDSOQIARSA-N 427.892 0.963 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1784594808 GVALKGRSLMNYPR-DROOOQRISA-N 430.490 0.565 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c(C#N)c1 1784597313 KQGXOCNWXOMKCS-QVKFZJNVSA-N 439.476 0.187 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1788638916 TYKPWYCJYSZPFU-IEZWGBDMSA-N 431.489 0.459 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCO4)C[C@@H]21 1791076428 CSJHIZWIKOCVTQ-BJLQDIEVSA-N 426.469 0.622 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cncc(O)c1 1791110442 VEQYPHYCBHIRGV-MMZWMSHMSA-N 432.477 0.910 30 20 ICED C=CCC(=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 1792451161 FZFSZLFUJVSFOG-FSNPWBFUSA-N 437.537 0.770 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)CC2=O)c1 1792485462 GKBOTMVJMFCRMY-XYVMCAHJSA-N 439.468 0.774 30 20 ICED COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797781284 FUPOIYFCMPCOQQ-UPHUGPLXSA-N 427.501 0.992 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)c(Cl)c1 1799752106 YVOMKJXYYMWGEN-BAAGSCJXSA-N 448.907 0.065 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1800110698 WKAGSCHLCCMQER-BASYENTBSA-N 439.509 0.977 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)C2 1800980689 CWILGCGKXWNWAN-PHXBYCTMSA-N 432.590 0.960 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992812 YLHDILBNHGUKBP-VQQMMKBISA-N 442.516 0.831 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806848119 AVNUOJROJBZRGJ-HNNXBMFYSA-N 434.493 0.325 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1812669736 KHCLPJYZXBCGTI-BZSNNMDCSA-N 438.475 0.949 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OCC)sc2C1 1819457911 DGABEYMYEQJGMG-GLKRBJQHSA-N 426.495 0.711 30 20 ICED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1)C(=O)C(=O)O 1819957514 VJAZYDYGCNMIGX-FEQLDZPWSA-N 447.473 0.310 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823116656 HVUASAHWQKZYAQ-AXYUZHTFSA-N 433.494 0.876 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905242 YCPBSCWPPSRYDX-DOTOQJQBSA-N 435.525 0.959 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1829755348 ACZMREANTGSCEA-FZKQIMNGSA-N 440.526 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1829773264 FSSHMYGJHJUIRF-NYPGBQQYSA-N 448.545 0.309 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898905 MPVVXSIZPTYAMY-NFBKMPQASA-N 429.517 0.964 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1830243314 IWLUGRJARRZDQD-QFIPXVFZSA-N 431.489 0.949 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833451400 VXIIUAYNNJNRBL-INIZCTEOSA-N 429.583 0.584 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NCC=C)CC2)CC1 1833464437 ZNSKZIIZPQZJKL-MJRGOJFPSA-N 430.549 0.455 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985930 LSNHTNNOFSEIAW-QHCPKHFHSA-N 427.501 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834481320 NBAAKFFHBMQZQO-NRFANRHFSA-N 435.452 0.800 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835122637 KRROTRNBJZXHHC-JXFKEZNVSA-N 436.597 0.998 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835480112 ZGQKOCMLOVHEBY-UHFFFAOYSA-N 449.640 0.788 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1835673066 UZAGADPUZAOVMW-QHCPKHFHSA-N 428.533 0.967 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835793769 RTPDFFVKBVNPBT-HNNXBMFYSA-N 427.509 0.080 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 1837081139 GLABXFPZEZOZIU-HXUWFJFHSA-N 442.468 0.913 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1837401355 YOYXPKNDHPNSOP-AVRDEDQJSA-N 434.537 0.599 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837402492 BQYJAPOEVMQNBE-VGOFRKELSA-N 448.520 0.309 30 20 ICED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835575 CTEUSNWRQWIGQS-UHFFFAOYSA-N 429.454 0.513 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906436 IWLQDZSTFMCHQY-XYXUZSOXSA-N 427.457 0.748 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907056 WHNWVCIOBXKVLH-ZHRRBRCNSA-N 428.489 0.495 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1838951806 JFIRPHRLDFXNCU-OAQYLSRUSA-N 426.429 0.422 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839173592 AMLLJVDXTCWCJM-NRFANRHFSA-N 449.508 0.438 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1839362878 VFTGJXAVYVKTOI-NRFANRHFSA-N 425.445 0.565 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1839364020 HXVXEGCYRSCPJC-OAQYLSRUSA-N 447.513 0.640 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452290 TZWNRWHBLZXDRY-XMSQKQJNSA-N 443.504 0.384 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840042126 CAAOCSGXTBLXJK-HYBUGGRVSA-N 438.480 0.728 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3occc3Br)C2)C1 1840042882 TZWTVVORBBVBHX-QGZVFWFLSA-N 441.234 0.200 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840589383 IQHDNGVPWHIHNC-AVRDEDQJSA-N 438.521 0.769 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840819395 HZNMKZHFEINQEL-KGVIQGDOSA-N 429.473 0.164 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819936 OWRRISMJHWNTLI-QFIPXVFZSA-N 439.472 0.739 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820414 OAHMRZZPWIWTCD-JPYJTQIMSA-N 444.532 0.734 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840841339 RAEROWYMSFUPEX-JOCHJYFZSA-N 448.541 0.720 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1841099633 OYWWRLPLBRNSFW-UHFFFAOYSA-N 430.530 0.730 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C(C)(C)C#N)C2)C(=O)C1 1841139616 WCGKMVYKRNYTKC-UHFFFAOYSA-N 447.536 0.819 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1841748782 PNZGPELDHHHOIG-OAHLLOKOSA-N 446.504 0.584 30 20 ICED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2)NC(=O)OC(C)(C)C 1846934923 WCJWYDXSHZFBQP-OAHLLOKOSA-N 433.513 0.736 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)n1 426480257 RGBPONQQGXAFPZ-UHFFFAOYSA-N 438.554 1.157 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c1=O)CCC2 447416360 ALXOTSZBSLTRRC-UHFFFAOYSA-N 444.488 0.881 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CCC2 460655135 IUYMGAJOILMJKQ-QGZVFWFLSA-N 448.487 1.423 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 471193860 HSDIBLKPHWCDNQ-UHFFFAOYSA-N 448.504 0.935 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)c1C#N 471675079 AACWXZHBDSOOTR-UHFFFAOYSA-N 439.432 0.583 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CCN(C)CC1 478852033 ILXVPGBLIZQLMK-UHFFFAOYSA-N 442.589 0.983 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C#N)cs3)c(=O)n2C2CC2)CC1 481983641 RSYWSVCBGDYOGJ-UHFFFAOYSA-N 439.566 0.845 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 499782594 WBWQRAGKOKBIGO-JXFKEZNVSA-N 443.529 0.638 30 20 ICED CS(=O)(=O)NCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503112916 STBZDNUSQAOAII-GOSISDBHSA-N 433.534 0.630 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 505949630 VQPGEZKZFTTZPN-UHFFFAOYSA-N 425.474 0.457 30 20 ICED N#CCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 506457110 UKNZHALZYAUYPZ-UHFFFAOYSA-N 429.340 0.480 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 508661464 JQTXKPKPEHWCPE-MRXNPFEDSA-N 436.534 0.567 30 20 ICED COCCCN(C(=O)Cn1cc(C#N)cn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 509744887 HHCIWLBWIRIPPH-UHFFFAOYSA-N 437.460 0.717 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCOCC1 513195045 WTABAPKYUYLPGJ-FQEVSTJZSA-N 430.440 0.021 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514030249 CPRWBLMTFPBJKR-NVVBAYIOSA-N 438.532 0.984 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC 514523382 TYXJVJYYZNYHKI-UHFFFAOYSA-N 431.514 0.985 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCCO1 536086150 BJXKZMQVWHRJPW-KRWDZBQOSA-N 442.541 0.448 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 536795306 JMWIVJHSSIQWJM-VDERGJSUSA-N 429.433 0.464 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543930659 OZIVBAHFUPNCLK-LBPRGKRZSA-N 436.881 0.486 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(CN4CCN(C)CC4)CC3)CC2)o1 544488496 HOOGTHOJVPASOF-UHFFFAOYSA-N 443.596 0.853 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 558481446 QLWUWYWHXNTGGH-UHFFFAOYSA-N 449.514 0.640 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 569408685 YMPGPLWPTWRBIA-KRWDZBQOSA-N 447.565 0.928 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 570533045 ODYBNHOBEZLMQD-IBGZPJMESA-N 437.500 0.687 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 574600826 MCWOLWOKMYHYKC-UHFFFAOYSA-N 443.533 0.176 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCN(CC(C)C)C3)CC2)c1C#N 580373509 ANXPLQATAGABKO-SFHVURJKSA-N 429.569 0.733 30 20 ICED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 581579670 KGBYTPAKKDEOSH-UHFFFAOYSA-N 436.803 0.917 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1S(=O)(=O)NCC#N 588001158 XJEXGIZTVSIUFJ-KUHUBIRLSA-N 433.490 0.390 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 588123677 FVUNBUGUNZWOPY-UHFFFAOYSA-N 433.940 0.967 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 604137317 KKARXSPYLQVCHJ-HXUWFJFHSA-N 434.452 0.827 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1-n1cnnn1 604218625 AKTUDSHFNJUITF-UHFFFAOYSA-N 447.459 0.995 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 609351104 LCLZUVAMDJCZLI-UHFFFAOYSA-N 440.431 0.815 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(OC)nc1 609351242 XOQINUGNZUVAQR-UHFFFAOYSA-N 428.420 0.830 30 20 ICED CC(C)(CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)NS(C)(=O)=O 609470538 HQOREMJZYOLKLT-UHFFFAOYSA-N 433.538 0.886 30 20 ICED Cn1c(CCC(=O)N2CC[C@](F)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 615607372 IKSZLWGJTJDLAM-FQEVSTJZSA-N 449.508 0.991 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 728530457 GFCMQXHKVMWAPS-UHFFFAOYSA-N 441.351 0.476 30 20 ICED CCOc1ccccc1[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(C)=O 732910255 NGWRRUPEXBDWGR-IRXDYDNUSA-N 435.502 0.618 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H]1CCOc2ccccc21 742144686 STSYYMMOJGUTEK-GOSISDBHSA-N 447.520 0.820 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742661279 LZMLCXXLZLUGHE-LBPRGKRZSA-N 428.536 0.044 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1=O 743392476 MSWRGYXOFOUKSU-MRXNPFEDSA-N 435.525 0.833 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)cc1 747796689 DOOUCGQGGWXSOM-IGCAKMCNSA-N 440.547 0.422 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)[C@@H](C#N)C1 754380976 YAIOVNRVRIABSG-JTQLQIEISA-N 442.270 0.683 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 755519039 FWUCPKSQJMXNBF-LTGZKZEYSA-N 435.506 0.129 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756232986 YRWLOUJCTXXZPU-LUVWLHFXSA-N 425.416 0.700 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 767638604 YTJKUAVOPDYXJH-QGZVFWFLSA-N 449.529 0.590 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 769020306 CCPOXIXFKLMIFK-JOCHJYFZSA-N 431.537 0.161 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783013786 GTWFPJPYEMNFHR-LLVKDONJSA-N 445.423 0.532 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 783480174 POHSNQLYFYZRMO-LJQANCHMSA-N 432.546 0.416 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)O)cc1C 787553586 OFSFLPHSSZGFAI-ZOBUZTSGSA-N 437.518 0.825 30 20 ICED Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)n1-c1ccc(C#N)cc1 787999454 PSHLFJFNHHGKTM-SFTDATJTSA-N 442.541 0.882 30 20 ICED C#CCn1ccc(CN(CCOC)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1 788695228 HKRGFTDOFDXUNY-UHFFFAOYSA-N 444.513 0.981 30 20 ICED CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 807361018 GXQXQBWNIQWNCU-PXLXIMEGSA-N 438.506 0.896 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)n1 807754523 LDDIBWFYXLDTHX-MRXNPFEDSA-N 444.923 0.935 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)CC2)o1 915377600 SJDPWNFQOCTDKG-AUUYWEPGSA-N 433.490 0.501 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1=O 915637204 AMFLZAULVOWWSF-QGZVFWFLSA-N 428.515 0.401 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC 916198026 ATUKZHUJLPYKNG-UHFFFAOYSA-N 430.486 0.884 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 920249899 YRIAPVBONLHULB-MRXNPFEDSA-N 428.532 0.264 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1129604798 KWGUAEDSLXYVAL-UHFFFAOYSA-N 429.458 0.517 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1171843633 UPTJEXKPIOQYCC-SFHVURJKSA-N 429.496 0.527 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cn1 1321907236 CPLIIUKBGHDYMZ-KRWDZBQOSA-N 443.533 0.587 30 20 ICED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503375919 ZTNASGWDQKIDTI-UHFFFAOYSA-N 437.508 0.082 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1505121976 QHADSHFUTKPCNS-YLJYHZDGSA-N 431.518 0.982 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c(OC)c1 1554869045 LXILPJIRBTVYAM-MRXNPFEDSA-N 442.476 0.550 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 1595918173 NAJDTDOQWWLNGH-GFCCVEGCSA-N 444.307 0.461 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1731179024 LIVBUGAQUUEWAR-RTBURBONSA-N 430.465 0.808 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CCO1 1731187536 ROXOBKFBZRZSPV-QGZVFWFLSA-N 434.497 0.772 30 20 ICED CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1747411732 UJFQIJODYKQAJX-CZUORRHYSA-N 432.572 0.453 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1760689463 XNQLYFZEQVZHLD-CKEIUWERSA-N 429.616 0.921 30 20 ICED CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766254453 ZSGCDCGKZHSRDH-UHFFFAOYSA-N 432.492 0.855 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1778821045 NSQINPSHZQLLNX-UFMXKRPASA-N 429.539 0.504 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn(C(F)F)c2=O)C1 1779584668 AFTKXXHPMBGMCL-JLTOFOAXSA-N 437.399 0.459 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780635898 FKMBMKKOPQOIDJ-DZCCDHAISA-N 436.597 0.727 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701363 DWGZDIHJGDHLLI-VGOFRKELSA-N 444.488 0.845 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2)C(F)(F)F 1781809416 KQWCIZZOEHJZTH-RDTXWAMCSA-N 428.411 0.876 30 20 ICED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783683768 OTMXBDBCRHKSDB-QHCPKHFHSA-N 445.516 0.980 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784118372 AYFIWVJEBQFPAK-MWTRTKDXSA-N 436.468 0.682 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc([N+](=O)[O-])ccc3F)[C@H]2C1 1785006077 OXSQUHSRPBGIKO-NUTKFTJISA-N 433.392 0.344 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1785571529 DUMFUMSHUSYFSK-VBKZILBWSA-N 449.533 0.898 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)N1CCN(C)CC1 1789799256 FKDSBDHOPZPKIB-ODVIVBQDSA-N 445.564 0.314 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791892975 QXYLJSQRJRYBLI-QHWWWDCYSA-N 440.500 0.237 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2csnn2)c(C#N)c1 1793500958 GVKWUJWNOPBVDV-CCWDJLKJSA-N 427.486 0.864 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)ccc1F 1794210750 YSPZZELBCVOORG-IVSAIRAKSA-N 427.436 0.476 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797758908 HLSXYLAQGZIEKJ-IZZQQSIFSA-N 429.546 0.440 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797775715 GIMTZSQIOONBKZ-XLMAVXFVSA-N 429.525 0.148 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(=O)oc2)C3)c(C#N)c1 1799237450 JYHIZSBVRNDJBC-OPMZPASUSA-N 437.452 0.966 30 20 ICED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)CC1 1799326835 IDMFSMUBDYNCPJ-HGKCTWBKSA-N 429.448 0.783 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1799390921 CRKPZJJVGIGOBU-BKEDOTJMSA-N 435.481 0.702 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)cc1Cl 1799455084 WJWBBQZBPKDOKI-VTEUUUEMSA-N 442.859 0.817 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1801991767 OLNNFVGSCPOBGK-FAQVEIGNSA-N 448.479 0.939 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804093703 FXTYPTQQVFCROE-BEFAXECRSA-N 435.444 0.153 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806904408 AIPTXKXUZYGJNX-ZJOUEHCJSA-N 430.549 0.993 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)c1 1807058237 JWMQUULTYVUBGR-OXQOHEQNSA-N 435.488 0.765 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807148794 ZVHOGJKSVXABDF-WSTZPKSXSA-N 440.548 0.990 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948257 AYMODTMNXGTVBH-JOQOYGCGSA-N 436.476 0.739 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)[C@@H]1c1cccnc1 1812878501 JATIRXGNLKYZCT-SXWKCWPCSA-N 432.480 0.890 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817357537 HUPJETULJUFEIO-DOTOQJQBSA-N 444.536 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@](C)(O)CC(=O)O)n[nH]1 1822404256 MSKMWQXHLBUFQX-VDCAWRILSA-N 447.492 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccncc2=O)CC1 1823749034 DIZMQRNFPVNDCV-LIXSYLKWSA-N 441.532 0.721 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CC(c4ccccc4)=NN3)sc2C1 1824437796 BYDXUWNOZACGEK-BBRMVZONSA-N 437.481 0.909 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824459117 JDLLLPQQNBOXGH-LMMKCTJWSA-N 441.594 0.972 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnn1C)CCN2C(=O)OCc1ccccc1 1828644189 YVTZGKJZIDERHI-QFIPXVFZSA-N 436.472 0.514 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)cc1 1829907626 MLHTXSZDXUPOJH-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830708172 ZFVMSJITAIUDLP-BZDHPDOMSA-N 436.505 0.070 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccc3)C2)C1 1831396253 IGGZEVSJLMQCSV-SELNLUPBSA-N 429.517 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1831399484 VJGIHINYQNWWHT-YOEHRIQHSA-N 429.311 0.409 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831596779 RJKHWPBCJMLZRI-UZUQRXQVSA-N 442.516 0.459 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832767713 WJIOMVMTGSNKJA-JPYJTQIMSA-N 447.532 0.662 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833339638 ORTCFQHOMBBIOB-JOCHJYFZSA-N 428.489 0.914 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1F 1833671136 LCTJCLZMNSPTLE-QFIPXVFZSA-N 448.495 0.626 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565132 JOSSODSYXQMEHL-PLNGDYQASA-N 436.553 0.079 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc2c[nH]c3nccc-3c21 1834763807 ZNPOQFXYUIZXRG-JOCHJYFZSA-N 436.472 0.990 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835406907 FALCDSMRXPZZSJ-HSZRJFAPSA-N 434.581 0.274 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835621089 UAKXSOZHQWQWKU-HSZRJFAPSA-N 444.532 0.782 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835667307 BOPTZNCUDQZIQY-QFIPXVFZSA-N 430.505 0.393 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835667801 QVIRJPZNAWRFMC-IBGZPJMESA-N 428.480 0.770 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1837310039 RYVKTNXUPJLKEW-CBGDNZLLSA-N 439.509 0.276 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837399648 YOXISCZCKIOLJF-FOIQADDNSA-N 442.463 0.921 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCC(CO)CC4)C3)C2)c1 1838732554 VMHLWUZUTDPUKJ-CWZMJNCASA-N 430.505 0.755 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186803 ORMFSQORSHRFBK-NZQKXSOJSA-N 444.507 0.790 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839607120 KJCKCVMNLLECOF-JOCHJYFZSA-N 439.424 0.098 30 20 ICED NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839861283 NTLLDNDUGKWIIK-OAQYLSRUSA-N 433.892 0.413 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1839870119 TZKNJVVMHKNOLN-BREAHSJASA-N 447.513 0.080 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839956145 HGDYPUXAGIUSPR-KNQAVFIVSA-N 434.558 0.966 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)Cc4ccccc4)CCO3)C2)CCC1 1839962121 VCEDLSLTAKDYSB-AUSIDOKSSA-N 427.501 0.740 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007196 RNZNJQUJXBXMFA-MHJFOBGBSA-N 442.459 0.998 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(O)c1OC 1840163493 IYOBWRSKIYQFCJ-ZUOKHONESA-N 440.518 0.798 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840169213 RIESVSUIMCNYRH-SFYKDHMMSA-N 431.533 0.647 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)CCO2 1840962761 GOFVCYYXSQAZFW-YVHKJVDXSA-N 435.521 0.722 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 108508518 HGYBQFVGRIETGQ-FQEVSTJZSA-N 449.577 0.598 30 20 ICED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)C2)nc1 427289601 VTZFODHHBQWUJX-HNNXBMFYSA-N 430.442 0.610 30 20 ICED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 437437144 VHTMHCSFNSHADA-UHFFFAOYSA-N 441.511 1.306 30 20 ICED CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 438235565 KQBOFIJTFJWKPN-UHFFFAOYSA-N 425.492 0.596 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1 442080743 OLMPWARSSMDPHC-SJORKVTESA-N 436.534 0.982 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460692405 UCPYDOSWAZUAMJ-CQSZACIVSA-N 425.449 0.173 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 463345449 PISVURFYAUBPFW-UHFFFAOYSA-N 433.533 0.475 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)CC2)nc1 468453639 ZQJVQHFQYDYNGO-UHFFFAOYSA-N 430.472 1.075 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)C2)n1 471419261 NWTCSIWVHQMUTD-SFHVURJKSA-N 438.536 0.991 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1Cc1ccon1 480923046 BCVORLGBFDPWAD-UHFFFAOYSA-N 440.481 0.220 30 20 ICED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 485729688 BDJZGHIMPJHKIQ-XLIONFOSSA-N 433.578 0.663 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2=O)cc1 487136377 JXBUNPHIULNBPR-GOSISDBHSA-N 437.504 0.743 30 20 ICED CC1(C)C[C@@H](NC(=O)Cn2cnc(C#N)n2)C[C@](C)(CNC(=O)Cn2cnc(C#N)n2)C1 496613770 COGMCSPHNLVUDE-VLIAUNLRSA-N 438.496 0.131 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)s1 506134840 DPVMEXCAPMPTPN-UHFFFAOYSA-N 426.545 0.774 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 511339304 DHNXCZUQRNDKTF-SNVBAGLBSA-N 443.334 0.330 30 20 ICED Cc1ccc(C(=O)NCCc2nnnn2-c2ccccc2)cc1S(=O)(=O)NCC#N 513864110 QHDHOROGAVTPNK-UHFFFAOYSA-N 425.474 0.745 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 516607630 WZLYQXQQGJIBAC-UHFFFAOYSA-N 432.424 0.896 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 519202191 DZRIOOSKOBWVNI-IRXDYDNUSA-N 435.550 0.683 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 519899037 UJJSUDDLXOKVDV-KRWDZBQOSA-N 429.496 0.527 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1 521553696 DWQRAAKPVCYMNV-HOTGVXAUSA-N 438.550 0.657 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 545294522 BGCLAZJRRNJQHR-UHFFFAOYSA-N 436.472 0.755 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1C 551543336 PRRBAVFOHXCMOZ-UHFFFAOYSA-N 442.501 0.505 30 20 ICED C=CCSCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 559434858 RSQHSIPFOHQAGH-UHFFFAOYSA-N 427.548 0.359 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)c1C#N 563242403 SQRYKPIRIWCXPJ-UHFFFAOYSA-N 426.568 0.874 30 20 ICED N#Cc1ncn(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 570303405 WJGAMQNQMKTHBQ-UHFFFAOYSA-N 434.478 0.186 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)ncn1 572925582 NKQQUCVCSZBHJQ-QGZVFWFLSA-N 428.518 0.974 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(F)(F)F 574587921 RTACIVVXRSQKPZ-CQSZACIVSA-N 434.444 0.607 30 20 ICED C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccc(OCC(=O)NC2CC2)cc1 585721593 IZNXIIYJZZMTDH-OAHLLOKOSA-N 427.505 0.625 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 585728214 WAYAHTKWXWXXFF-UHFFFAOYSA-N 440.592 0.805 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)C[C@H](C)O1 603560195 FOUUURKRRNPZBQ-OALUTQOASA-N 449.577 0.905 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606078101 SEXBIRCOJDZKBU-UHFFFAOYSA-N 447.495 0.617 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C(=O)N1c1cnn(C)c1 610532040 NABUDYGNTIDEPF-DYVFJYSZSA-N 447.459 0.180 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611596271 ZAGZAHLFQQXEIB-UHFFFAOYSA-N 434.453 0.362 30 20 ICED CCS(=O)(=O)NCCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 726771384 OTTQIPFTVPSEPM-OAHLLOKOSA-N 444.579 0.585 30 20 ICED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 728106327 WEWQDQMWSUARQF-UHFFFAOYSA-N 435.462 0.829 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 728536332 WCBUHBOTALSZSY-UHFFFAOYSA-N 444.491 0.990 30 20 ICED CCNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 731753676 PBLQTRIKKVCBBE-HKWRFOASSA-N 431.540 0.560 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 731861708 KXYJPMIPEXGRHR-DPHDRGAJSA-N 438.440 0.718 30 20 ICED COc1ccc(CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c(OC)c1OC 746354088 CWUJVYVDIPMVLX-UHFFFAOYSA-N 442.476 0.715 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)c1 746788531 DXTKZPRITULGKN-XKBVJOOISA-N 435.506 0.223 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 747993397 JWJWZBJPTNXZJI-UHFFFAOYSA-N 434.518 0.300 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)cn1 751821192 WKZOUJWHQDJOKX-UHFFFAOYSA-N 435.575 0.143 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 758300628 MEEUZKVKQCIULM-ZBFHGGJFSA-N 437.522 0.935 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccn(C)c3)c2=O)cn1 763459401 AVXOQTQMZYOFNS-UHFFFAOYSA-N 448.508 0.866 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1)c1cc[nH]n1 772157637 WEEWCBZRQIVZFF-IAGOWNOFSA-N 434.541 0.711 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 783351266 WVXGYMWDXGBVDD-SFHVURJKSA-N 445.545 0.986 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)c1 787774942 MPKMNYDUDXENSQ-ZDUSSCGKSA-N 430.490 0.267 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 796455791 NYAHYKKJESFRCG-GFCCVEGCSA-N 425.488 0.772 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccon1 814250498 RRFBOJIAKOBFNS-UHFFFAOYSA-N 446.439 0.213 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 815861376 FNQVQVZBBYVTCP-UHFFFAOYSA-N 434.562 0.678 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 820711980 USDOSYVGKLBVKQ-HNNXBMFYSA-N 448.592 0.946 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 914653397 PSALLAXUDGGXNY-XIRDDKMYSA-N 431.470 0.242 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCOC 916198660 RWTZYVUQVBTTLH-UHFFFAOYSA-N 429.542 0.829 30 20 ICED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916888969 GNQMGYFUVPFNND-SFHVURJKSA-N 440.481 0.446 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 919315399 CJJZVHQTCOYNOA-KRWDZBQOSA-N 444.465 0.972 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3n[nH]cc3I)CC2)c1C#N 1116754282 OMXOHAHOSORTHB-UHFFFAOYSA-N 425.234 0.890 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1160051097 IPPIOOFEEBPMJH-OAHLLOKOSA-N 429.502 0.575 30 20 ICED CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1302681832 WGNSFAMZEVZRMV-FQEVSTJZSA-N 445.549 0.544 30 20 ICED CO[C@H](Cc1ccccc1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1315176832 JOJVMVFSPQQPNA-JQHSSLGASA-N 448.549 0.875 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1316102590 XLLASAMWTVHOEZ-RKVPGOIHSA-N 427.527 0.087 30 20 ICED COC(=O)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1318742897 NVOCLNCXLGIFLS-KRWDZBQOSA-N 428.445 0.944 30 20 ICED C#CC[C@]1(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1324125983 SLUSRBWOEYXUQB-IFXJQAMLSA-N 428.507 0.626 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1504345877 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TZSPNARDBLLJKH-FXAWDEMLSA-N 431.518 0.840 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1770344759 VYWHWIDAPVYWPU-VQIMIIECSA-N 433.513 0.987 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCS(=O)(=O)CC2CC2)cc1 1771532315 WMZNDVNAANIZMC-KRWDZBQOSA-N 428.518 0.953 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1778974310 YBQHIJKESVXHOG-VGSWGCGISA-N 445.520 0.033 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)OC)C2 1779331475 XUUWGISJLUJPBF-GCKMJXCFSA-N 442.578 0.980 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300352 RCSCAOMULMMFRD-NRFANRHFSA-N 447.536 0.554 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783577155 PNZQDCYIAYCWCM-VFNWGFHPSA-N 435.477 0.304 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783611494 QAHOSGYYMZTDOX-VWKPWSFCSA-N 436.509 0.490 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783662255 XLJSWCQMSNLMHO-WIYYLYMNSA-N 428.526 0.477 30 20 ICED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1783666474 LASUAWHKCAFEOG-NQIIRXRSSA-N 443.541 0.687 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783767887 GQKAREGLONVYJA-SPLOXXLWSA-N 449.508 0.162 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783884895 FIWSBBKUNYDYDR-SPLOXXLWSA-N 431.514 0.821 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(C(F)(F)F)n3)[C@H]2C1 1785283056 ZDLPVQXLYMTWJV-QEJZJMRPSA-N 439.390 0.711 30 20 ICED O=C(CN1CCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786732338 HZRZNVMGPQXUSV-FHWLQOOXSA-N 431.533 0.287 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1789495291 AWOQBRWLXWGVGF-LJQANCHMSA-N 433.549 0.980 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1790875007 AWRISEXYUSOBRA-AJNGGQMLSA-N 437.509 0.505 30 20 ICED C=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 1793600080 SCJMAUBSHXKQQS-KRXQYRFLSA-N 435.477 0.133 30 20 ICED O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795847826 SROAEYCJCXUSKL-KXJCPHRKSA-N 431.493 0.071 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nccc2nc[nH]c12 1796237789 LDCJQEKGCPYGOV-HGKCTWBKSA-N 437.500 0.860 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797739847 IGXXRQGKQTYLCL-ZPCWHLROSA-N 434.537 0.637 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797814939 FDWPKTXHNXFYKX-HIZVEDGSSA-N 446.508 0.396 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1SC 1798326981 KGMPKBJNIHZOPS-GZHYHUHOSA-N 430.530 0.865 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1801006952 OGZBSQCLQHOFIR-AXRVMRSRSA-N 429.473 0.572 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C(=O)C(=O)O)c(C#N)c1 1801330559 NWPYRQZHEWABTL-BJWYYQGGSA-N 442.472 0.291 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801363067 JFHNPBZQYYLCDY-VXIBKDFQSA-N 429.521 0.720 30 20 ICED 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)CC)C2 1802138422 BZQXBWWDDJKJIB-PHGYOMLWSA-N 437.537 0.816 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1804175444 JPKBJZPQQGUEFJ-HRAATJIYSA-N 428.514 0.932 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1807145581 NRHLZHMVVWDCCZ-PZJWPPBQSA-N 442.564 0.701 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ncnn3c2)[C@H]1c1cccnc1 1807416999 ICNAFPNYBJGTCA-HTAPYJJXSA-N 432.440 0.461 30 20 ICED CNC(=S)NCCC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809775155 KQBBSLHCQOXBIK-UHFFFAOYSA-N 436.626 0.983 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1810333201 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1831392888 PVZPQPMNTKUUOA-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1831419270 LSPOOIQKDRVZGG-KKSFZXQISA-N 436.509 0.783 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)c(=O)[nH]c1C 1831485057 MOUIKGRNBSMQJS-OXQOHEQNSA-N 438.550 0.411 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)C#N)CC3)CC2)no1 1833149510 NJRIJRYERCRJHX-UHFFFAOYSA-N 444.536 0.834 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784597 RYXPBPGIPKMRRL-INIZCTEOSA-N 446.508 0.401 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc(C)nc1C)CCO2 1834070696 DMYMEXWICUWDOW-RMUOZIPVSA-N 448.545 0.688 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768686 JTIQSLSLGMRUOS-IIBYNOLFSA-N 436.509 0.756 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ncc1[N+](=O)[O-] 1835342300 QAFBXOYCSAYNGT-HXUWFJFHSA-N 429.433 0.672 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835918991 ZWMJEJMMLOJANP-VGSWGCGISA-N 440.504 0.503 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686823 AXZNNDRKNHROKY-QPPBQGQZSA-N 443.544 0.920 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836880890 PXKUWEZJLGLUSF-AEFFLSMTSA-N 428.599 0.532 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)cnn2c1 1836950468 NEGULORPHVGKBI-JOCHJYFZSA-N 438.488 0.802 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836994778 BLEWAQBFAUTWIK-JTSKRJEESA-N 428.489 0.995 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1837492869 YJAPXWBNHWNHPM-JOCHJYFZSA-N 430.505 0.107 30 20 ICED Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524200 BPMYNICXQJVECF-PTJKWTKHSA-N 446.504 0.989 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837674259 COLROXGGVMUIJC-IVEDSDBVSA-N 448.520 0.460 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803906 YUBSSFXYELVSOX-HXUWFJFHSA-N 437.581 0.890 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837906418 PWFDQGAHDFRUDV-GWJNGDFSSA-N 433.484 0.762 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403961 JECCSCIOSKSMBL-ODAUKNCYSA-N 435.477 0.602 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838738211 XPAIIBYULQDSLK-GMKGHPLGSA-N 425.445 0.966 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c1 1838906154 UMKOGCMZOWOWAB-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(OC)c3)CCO2)C1 1838929724 GFWSNVBEADNMAD-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839030216 DTODRENQAAWTKK-VLIAUNLRSA-N 439.509 0.929 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1839175057 MXULRBBFSSYESA-QFIPXVFZSA-N 448.520 0.791 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839349273 MSFDQYATJFUAMJ-QHCPKHFHSA-N 445.516 0.838 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839610102 VTCIQRCOHBGMNC-QKKBWIMNSA-N 433.530 0.960 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625110 CGLBMOGLZKBQEF-NRFANRHFSA-N 429.452 0.742 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037127 SOAZEDUJULHTRJ-IMRHEYAYSA-N 438.484 0.657 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840083423 BBWLYOFJJFCPJZ-KNXBSLHKSA-N 433.505 0.476 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840162656 DAQCOGBZWCQPFB-KUHUBIRLSA-N 431.555 0.674 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)CCC1 1840812221 GIWMNMVUHHKWIV-AUSIDOKSSA-N 441.484 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845103813 KHRMLRLUXCIPOB-IXDOHACOSA-N 435.521 0.456 30 20 ICED C=CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 24270943 UWDKKEKHPYFQBC-SFHVURJKSA-N 426.491 0.996 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447224555 XUSFWOAISWEQMB-CQSZACIVSA-N 435.912 0.836 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480790365 VUTXPKWGEVLCKH-ZDUSSCGKSA-N 436.515 0.450 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 481080474 NARNKMHSIXVHCB-UHFFFAOYSA-N 436.943 0.745 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)NCC1CCC1 482158222 PHFQDMQHZMDBOD-CYBMUJFWSA-N 428.536 0.061 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)C2=O)cc1 487172638 MRAVTTWAHXVQSB-OALUTQOASA-N 445.545 0.869 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 490802207 JYEIRZUVTTUAFW-SFHVURJKSA-N 425.493 0.610 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 498091108 MOVRURSJHKXJFI-UHFFFAOYSA-N 436.472 0.617 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)c1 501592516 DMLQFQMWOSVWCT-SFHVURJKSA-N 426.521 0.219 30 20 ICED C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 504021073 PIZTVIHCJPAZBO-UHFFFAOYSA-N 436.534 0.465 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2ccccn2)c1=O 505662120 LUVVWSJUUZMLSS-INIZCTEOSA-N 449.536 0.698 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508642368 WWPRYYGHLBIVEG-SFHVURJKSA-N 440.504 0.432 30 20 ICED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 508710302 VFFSLXUDORLUEI-MRXNPFEDSA-N 435.550 0.286 30 20 ICED C=CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508724100 NQZDKTVXCMPOGE-UHFFFAOYSA-N 437.508 0.941 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 516733006 BZSUXAVDXZGOQK-UHFFFAOYSA-N 443.485 0.824 30 20 ICED COCCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 518757279 MUPGPVQYPNRFMH-UHFFFAOYSA-N 427.509 0.057 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)CC2)cc1 520227830 BJVWZEXPQWHNPB-UHFFFAOYSA-N 449.496 0.927 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 524282245 YFFSMSLIYQEWGB-UHFFFAOYSA-N 449.330 0.187 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)o1 527246691 MHUQPPRWUZGZDG-UHFFFAOYSA-N 427.465 0.765 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 531173666 VRVXTTKDGDGQHX-UHFFFAOYSA-N 440.503 0.601 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 531802580 RUZXMKLDQIMEBH-AWEZNQCLSA-N 433.472 0.933 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C#N)cn1CCOC 539638002 LVKKXHGECNJEGG-PYTWLRIVSA-N 440.456 0.928 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541139826 BSVDSXBHAFAFAQ-UHFFFAOYSA-N 442.451 0.965 30 20 ICED COC(CNS(=O)(=O)c1ccc(C#N)cc1)CNS(=O)(=O)c1ccc(C#N)cc1 542238964 SSMUMCDIEDTNNZ-UHFFFAOYSA-N 434.499 0.702 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548289959 BWBJLESGEDZEOF-OAHLLOKOSA-N 446.550 0.832 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 550276957 JKRRAFGEKPFGJC-NRFANRHFSA-N 427.549 0.675 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1ccccc1 554625255 VWNOJTWJQFZXHH-LPHOPBHVSA-N 432.484 0.912 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCCC2)CC1 555783642 NBEPXMLCQVZHTO-UHFFFAOYSA-N 427.549 0.345 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n(CCC#N)n1 560340984 RNEWMCYPSUXSBU-UHFFFAOYSA-N 439.432 0.937 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 570300049 QZMBJZLCXDWJTF-UHFFFAOYSA-N 441.532 0.346 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc(OC)n2)c1=O 583668660 KZCGXXUONCIUEF-CQSZACIVSA-N 429.498 0.459 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cc1 584320736 KLADNXKAUOYNHW-UHFFFAOYSA-N 434.499 0.851 30 20 ICED Cn1cc(Br)c(=O)c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 589487237 JWRCBFOHFIUVGZ-UHFFFAOYSA-N 425.264 0.936 30 20 ICED COc1c(C#N)ccc(=O)n1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 590582118 DJZIBQNXIHAXKN-UHFFFAOYSA-N 446.485 0.697 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 728536289 SHBUHUMPBQMDCL-GOSISDBHSA-N 446.573 0.614 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCNS(C)(=O)=O)C1=O 735225219 HOHHLRWDRPNFKC-AWEZNQCLSA-N 442.519 0.422 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(Cc2cccs2)CC1 741342256 UKZQOBYLGYURHJ-VXPUYCOJSA-N 432.502 0.852 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 744007715 LNQSTNUGGFESGY-UHFFFAOYSA-N 425.426 0.963 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)cc2OC)c1=O 758089259 KNHPYRWFIXHTBI-UHFFFAOYSA-N 425.510 0.835 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758951993 SAEQJXBWBXLTMW-UHFFFAOYSA-N 445.497 0.321 30 20 ICED COC(=O)[C@H](COC(C)C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 766807407 BTUORNFYHYUYBW-HNNXBMFYSA-N 425.507 0.930 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CC(N)=O 767889988 GASBOPHUKBOTMJ-UHFFFAOYSA-N 445.570 0.538 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1cccc(C(=O)N2CCOCC2)c1)c1cc[nH]n1 772146554 SVSFGIAGEVQHEV-UHFFFAOYSA-N 443.460 0.482 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3cccc(C)c3)c2=O)cn1 772282677 JMYZOCGRBYXAHF-UHFFFAOYSA-N 447.520 0.866 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1cc[nH]n1 772530179 HMFQGKWNDARLRH-UHFFFAOYSA-N 443.460 0.929 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 773228613 CNESMZAPFVSVLQ-UHFFFAOYSA-N 425.445 0.716 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CCCO1 773801914 YHTMZVJWYIVBPJ-GHTZIAJQSA-N 442.516 0.595 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 774956347 PWKMVJXSWZCGRX-AWEZNQCLSA-N 446.403 0.877 30 20 ICED N#Cc1cccc(OCC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 777479273 LFJPZYONNYIZAF-UHFFFAOYSA-N 429.454 0.898 30 20 ICED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782130094 QITGAQJXBBHDRH-CYBMUJFWSA-N 431.474 0.521 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782855561 DAIMXZVUBSIWAH-NSHDSACASA-N 431.430 0.323 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c1 785290891 OECGCZOBQLJNOS-RNWAHURQSA-N 449.533 0.565 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)nc2n(C)c1=O 786559926 YODKYPHRJZXLPN-ZDUSSCGKSA-N 427.367 0.549 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801305166 GDKPMGMIXVKCSN-MRXNPFEDSA-N 425.482 0.183 30 20 ICED N#Cc1nc(F)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 808047143 GNUNTFWEJZYDIP-UHFFFAOYSA-N 449.420 0.912 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 810271389 SBDQHHMUNLXXIL-UHFFFAOYSA-N 442.335 0.715 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)cc1 811830741 CKSISMRMXSQHPE-UHFFFAOYSA-N 437.474 0.056 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1 894105542 CRFDTFMOLMIEMR-UHFFFAOYSA-N 427.442 0.549 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 901417052 PEGDNDWIHYEVOW-ZDUSSCGKSA-N 441.510 0.371 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)cc1 916193456 AGEAGYJFMNQKPW-UHFFFAOYSA-N 436.493 0.568 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 1116759353 VVEQLMQDMPMHTP-SFHVURJKSA-N 445.487 0.525 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301953155 QSSDADKAHFMWJT-SJORKVTESA-N 432.573 0.955 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC)CCOC1 1502689037 URPWXFRSTNOYNX-ROUUACIJSA-N 426.543 0.609 30 20 ICED COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519118625 YHNBNSQMRXMBOU-UHFFFAOYSA-N 427.557 0.974 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1554528015 KXQKTEYDPUOEDN-OXQOHEQNSA-N 445.501 0.366 30 20 ICED N#Cc1cn(CC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c(=O)nc1O 1583199458 VZHQDAXFBITBMN-UHFFFAOYSA-N 427.383 0.757 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1619553427 POVKENICPCBHBG-UHFFFAOYSA-N 425.493 0.636 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1741946256 ZGDAMGHAWMSOIF-CABCVRRESA-N 439.542 0.020 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778057186 VSFVBOUGLOKQFO-YUNKPMOVSA-N 442.501 0.333 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778414846 GGXKZBXPCWGSDL-ZMTYOYNLSA-N 442.476 0.930 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781051224 OYAWITNTYDEEJE-HHUKSHRSSA-N 444.532 0.076 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)c(O)n1 1781421588 KWGAFOWIWABIRA-NRFANRHFSA-N 426.477 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C[C@@H]21 1783531344 UCSDPSQMOHPEMS-VDYRWSSGSA-N 440.544 0.567 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1783564727 FDGANBOVSIHKKK-QFIPXVFZSA-N 444.463 0.355 30 20 ICED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784642435 ZDMNVSRKWYYFKY-BZSNNMDCSA-N 435.569 0.410 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785197984 QBDRJZYLEZORJJ-QFIPXVFZSA-N 428.489 0.925 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787474667 IZKIVXDVEYWLRN-MUGJNUQGSA-N 444.532 0.441 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N(C)C)o3)C[C@@H]21 1789890200 JOGRKSJFVFWJGF-JYJNAYRXSA-N 434.493 0.843 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1789891545 BTOGRFJDYIIEQY-ULQDDVLXSA-N 436.505 0.819 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791133010 JSWFRPMDBAJJAB-BZSNNMDCSA-N 425.526 0.586 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSc4nc[nH]n4)[C@H]3C2)cc1 1791554310 HKSLKTWOVIKRIC-BZSNNMDCSA-N 440.529 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791709391 HDNQSUOUNMREHZ-SNRMKQJTSA-N 429.521 0.591 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424702 OTQMUYXPEGGBCU-AJYBTWMASA-N 427.505 0.527 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1793340326 RVLSRBWNQZPRPG-RDPOXOKHSA-N 427.501 0.387 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(NC(C)=O)cc1)C2 1793343445 XSKSYTALEJBJCF-HCBXPFHNSA-N 427.501 0.815 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1793361571 PUFVLPHNLCQSBD-SQFBREILSA-N 426.517 0.933 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(=O)n3O)c2c1 1794359690 OSYARYMBEAAEOF-HBCWATKFSA-N 448.439 0.351 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1)C(F)(F)F 1794428792 CJYKIAXAGFBDOS-JJLQDPRZSA-N 447.435 0.807 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421111 UTJZEFKMMIHFFB-KRXQYRFLSA-N 434.493 0.806 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1795602598 SSJNCWSVSCRQKS-OAFZBRQQSA-N 428.537 0.386 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)n(-c2cccc(=O)n2C)n1 1795934390 MFEQXVPRTCHSBM-ZTENYAIWSA-N 445.545 0.401 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(Br)n1 1796691999 ZKRHCYJVKSJZLZ-YFKFIEJBSA-N 428.264 0.197 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2nonc2c1 1796884702 RVGUMISGSURWTM-VZEXOLIBSA-N 443.460 0.955 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)ccc1F 1797626263 SVQRHIIBIQNISR-YVWYUNDQSA-N 441.467 0.163 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1797729789 KPZYBSYNPKKHBQ-CWPLJXCYSA-N 446.628 0.960 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797759017 VFKIMYNCHGRGLD-ZSBFGKGUSA-N 433.509 0.385 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)n1ccccc1=O 1797934484 YWIQHTOQBAQFFB-VFMBDBOTSA-N 426.473 0.711 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365084 KSTJDFKOMCTNSB-CLWJZODNSA-N 437.537 0.655 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCn3cncn3)C4)c2c1 1799886219 PLCKFVKJGSXONQ-CCWDJLKJSA-N 434.460 0.320 30 20 ICED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c1 1800761810 WXWYOUFHDMDSJI-ACDBMABISA-N 444.557 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)[C@H]1c1cccnc1 1802476612 LEBJIFHXUJVNTO-JDTNKDIWSA-N 441.532 0.861 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1802684086 TULWZHSLXWHBNF-YJBOKZPZSA-N 435.488 0.891 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802926219 QVFUVDNDHWLMIP-BRWVUGGUSA-N 448.520 0.868 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803564201 QVAOIPTZVVIPKF-IDHHARJASA-N 429.477 0.230 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccn(C)c2=O)[C@H]1c1cccnc1 1803831303 TVGWCANGLDFMBV-YYNCDVECSA-N 449.511 0.958 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815249333 SBYFHSWZNUVFBX-QAPCUYQASA-N 427.571 0.643 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819888936 APRMLIFXDAOJFK-SGTLLEGYSA-N 430.490 0.219 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821651270 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1837107319 CUWHFKIHFWKLBR-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CCO2)C1 1837288276 FQKZUXOQQKGUOW-BOSXTWCSSA-N 427.492 0.994 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837393458 RTPYRXRUJKMTMK-GCJKJVERSA-N 433.505 0.490 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1837402093 CSDNWOPOIPAKRS-VGSWGCGISA-N 442.553 0.805 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837526144 BUEDMKALDVRWGN-WCNTUGILSA-N 449.460 0.239 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1 1838346973 BQNRCJHLNCXZDQ-HSZRJFAPSA-N 436.468 0.607 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(OC)cccc3OC)CCO2)C1 1838880885 PWXXMYDRZQOQHG-HXOBKFHXSA-N 446.500 0.812 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838907214 FIILAXPTJFZZPO-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839116456 FUDOFSOUVHOKHO-CVDCTZTESA-N 433.549 0.500 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5CC(=O)C5)C4)C3)c2c1 1839488746 CYCYUWJVIOMBTH-QFIPXVFZSA-N 437.456 0.484 30 20 ICED Cc1nc2ccncc2cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042123 BYHDRNKDFUTBIC-JOCHJYFZSA-N 438.440 0.096 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)C2)C1 1840044993 LWNHYTGWFVEJLG-QFIPXVFZSA-N 438.440 0.235 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840158861 RQLXGQJGILBFNA-RNCFNFMXSA-N 432.392 0.116 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164355 GTVOASIMVRFJMZ-MFCZKXCZSA-N 426.535 0.517 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840900259 KJQZEHSBUANKGT-HTAPYJJXSA-N 428.489 0.565 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902389 CJNHCMWALFFZQH-WZONZLPQSA-N 427.501 0.675 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845132762 XWRKQZICFJMZSY-MRXNPFEDSA-N 431.489 0.975 30 20 ICED COC1(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 1846195571 HOZZPGIUKISUMT-UHFFFAOYSA-N 435.477 0.304 30 20 ICED N#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905942 QJOHUCBMBBEBGS-UHFFFAOYSA-N 446.529 0.828 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n(C)c1=O 436165201 NAWKPBJICMBLPV-UHFFFAOYSA-N 441.879 0.308 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1C 438614485 XNDHIMKULQTTGT-UHFFFAOYSA-N 432.506 0.780 30 20 ICED C=CCNc1ncc(C(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)s1 438831987 KYDJVCUUSAINNB-UHFFFAOYSA-N 427.474 1.332 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 440261757 ZRERAAOCIHHLIX-OAHLLOKOSA-N 438.506 0.129 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)C1=O 440266836 KKWYMUQVQZYOLR-QZTJIDSGSA-N 428.489 0.788 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 441930015 RBVKHUYOXLVKCE-CQSZACIVSA-N 431.489 0.351 30 20 ICED CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 441943915 HMSIKCMRBONBHC-UHFFFAOYSA-N 430.433 0.981 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 464849127 DLLGSACXXOGLEP-CYBMUJFWSA-N 429.431 0.892 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1=O 467675576 ZWNDODXSDYEEHS-WDSOQIARSA-N 435.546 0.673 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 476211726 ORWNXQRTWUNREN-UHFFFAOYSA-N 430.486 0.884 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480797968 IAYLFQGNAYHCDX-CQSZACIVSA-N 442.563 0.545 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 492774437 QVFVZGCGOTVJHB-KRWDZBQOSA-N 438.536 0.526 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 499805252 WADCPNQHGQJKSN-LJQANCHMSA-N 427.505 0.940 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)n1 508324386 YMBMCFITQNSHGC-UHFFFAOYSA-N 438.469 0.879 30 20 ICED N#CCSCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 514808579 MMIGATGBLRQKIB-UHFFFAOYSA-N 444.922 0.761 30 20 ICED COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 518310179 QVOFJNOVDAHYNM-UHFFFAOYSA-N 433.486 0.875 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOCC 522283553 ZNHLVWQXCCPMPE-UHFFFAOYSA-N 430.486 0.884 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2)c1=O 523476825 PTJYHKKYFUERQB-AWEZNQCLSA-N 433.505 0.740 30 20 ICED CNC(=O)Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 538987113 MWHYURPATBZERE-UHFFFAOYSA-N 431.478 0.039 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C(F)(F)F 540470880 UPOYOOCWYIBAJZ-JTQLQIEISA-N 426.442 0.771 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 549258355 LBHHOHGKOFECMT-IRXDYDNUSA-N 442.586 0.867 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 553265816 DQHWUMOJMXDCDS-UHFFFAOYSA-N 431.512 0.963 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC1 553734356 VZFFEBNXWSDCFX-PMACEKPBSA-N 447.624 0.792 30 20 ICED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 554786837 ZRYVSXIOCJXRPF-IBGZPJMESA-N 427.442 0.293 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 557705121 KYBFZUZCNNCDCJ-FRQCXROJSA-N 427.505 0.395 30 20 ICED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 571465482 XQTXWPRKIGTGSU-UHFFFAOYSA-N 437.508 0.307 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccncc1OCCN(C)C 576429788 DOGJPRXHPIQIBT-OAHLLOKOSA-N 431.518 0.877 30 20 ICED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 580487216 MVIVJNFTSJZUKE-ZDUSSCGKSA-N 436.515 0.622 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 580927927 CDOKFINQSSEMDK-UHFFFAOYSA-N 426.523 0.981 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581688972 WZVZNTHNIKPDFB-CTSKOVJTSA-N 444.557 0.971 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)CC2)nc1 587659365 MHCPJJWUEJBLOM-HXUWFJFHSA-N 440.548 0.752 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590909937 WQJQCUZHJAHDCJ-UHFFFAOYSA-N 449.916 0.968 30 20 ICED CCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 603446496 YBMZPMRKWARGMB-INIZCTEOSA-N 427.548 0.995 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038031 CJNVNSDPFPIZLX-UHFFFAOYSA-N 449.536 0.598 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726575621 LWTWCYMFMJVDJK-UHFFFAOYSA-N 435.509 0.850 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1 730586171 AUJDYLAWRZXEHX-UHFFFAOYSA-N 429.491 0.823 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NCC#N)CC2=O)cc1 731234774 OXCLGKKDADNCCY-CQSZACIVSA-N 436.490 0.253 30 20 ICED C[C@@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 733306098 MGTRUJVKMYRZHN-PBHICJAKSA-N 432.502 0.989 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 742143953 ORTYTOKCVUCBRI-UHFFFAOYSA-N 448.566 0.829 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 751823854 STUAGJXESYZPQV-UHFFFAOYSA-N 435.600 0.085 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 756893322 TWXCZDULKAXGSH-RCCFBDPRSA-N 449.552 0.575 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(-c3cccnc3)c2)c1=O 758060803 ONRKZSOEPMBEPR-UHFFFAOYSA-N 444.516 0.871 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758779386 UWGHLLOQYFNRGS-CABCVRRESA-N 436.513 0.124 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766050910 FUWKCRPOPVUAAV-UHFFFAOYSA-N 447.429 0.012 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 766560340 QFBDGZKIQAJOSB-UCXBAENPSA-N 444.517 0.835 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 768971963 KESLTMQXBXCKRR-PTJLRZKYSA-N 429.524 0.394 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 776222166 BQYXXURPLWBVSC-FYNSEHBKSA-N 434.493 0.851 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)c1 783453816 SVHJSFSIJYFQHN-UHFFFAOYSA-N 442.497 0.913 30 20 ICED C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785206649 RLRUOLSBBAVMNU-COZWDZLBSA-N 442.563 0.663 30 20 ICED C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 785647509 MYDRXZLSZVKYSA-LJQANCHMSA-N 427.442 0.335 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OCC)c(C)cc2F)CC1 795843045 LPJSRZMXUHCASK-UHFFFAOYSA-N 439.509 0.757 30 20 ICED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 808171032 VGUUGPRFVZUDML-KRWDZBQOSA-N 434.518 0.451 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2=O)cc1 808174108 IYXAHPAWHHJBSW-ROUUACIJSA-N 426.473 0.924 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(CCS(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 809701398 XLOCPKCDLJEUKA-IBGZPJMESA-N 428.555 0.212 30 20 ICED Cn1c(S)nnc1Cc1csc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 810056308 MBKXSVUKOKVUDS-UHFFFAOYSA-N 449.543 0.940 30 20 ICED Cc1c(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cnn1C 813951933 ULVQUYOCHYNUQZ-SNVBAGLBSA-N 425.492 0.051 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 815861750 YISUMSMGJBBDBW-LJQANCHMSA-N 442.516 0.864 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)cc1 816757320 PZWSOUNKEVVULF-QGZVFWFLSA-N 425.507 0.982 30 20 ICED COCCCn1c(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc2ccccc2c1=O 920370511 YHRKQNMUEROFNW-UHFFFAOYSA-N 438.448 0.565 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1116150532 NZUJIJOHEFPQKP-UHFFFAOYSA-N 436.537 0.268 30 20 ICED COCCN(C)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301733409 ZFDYULDVFVKDGW-HNNXBMFYSA-N 438.492 0.901 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2(C#N)CCOCC2)c1OC 1319516896 GBUPOEVYXPMHLV-UHFFFAOYSA-N 439.490 0.527 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCCO1 1341193763 XOSMZAXIVQREDI-INIZCTEOSA-N 427.530 0.501 30 20 ICED COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1504907315 UGWJQHNQFBDOMK-WMZOPIPTSA-N 425.493 0.488 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1510153762 DVGMNVWLSXAUAJ-LIRRHRJNSA-N 434.522 0.548 30 20 ICED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1519899877 PJOFCRMKCCFTAE-ZIAGYGMSSA-N 444.583 0.529 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1541801447 WSHCIJQZYXSXNO-BFUOFWGJSA-N 433.490 0.962 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCSC1 1541926560 UPJRHLZMTZUOLX-SUMWQHHRSA-N 428.584 0.886 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541928054 VHYXLXCKUYSKFV-WFASDCNBSA-N 448.546 0.298 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCC=CO2)C1 1555813097 KWIWSSVCCHDVFO-RLFYNMQTSA-N 440.501 0.746 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CCO1 1555992321 NIUDVJPTTRTOIF-OXJNMPFZSA-N 446.895 0.742 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C3CC3)[C@@H](C)C#N)CC2)cc1OC 1654165616 RKXMDTGJJMPMNA-HNNXBMFYSA-N 436.534 0.913 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CCN1S(C)(=O)=O 1698453790 PERGVNXFVLYVQR-AWEZNQCLSA-N 441.521 0.464 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1730420158 ZABLSDXCERMUTN-JOCHJYFZSA-N 440.504 0.917 30 20 ICED CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1743868268 KILCDODVVDMYHW-ULQDDVLXSA-N 441.602 0.937 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1748278685 UFEGHRWBGJUUPU-UHFFFAOYSA-N 427.509 0.633 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)c(F)c1 1751234519 LIERHSNQUPYFNU-AAEUAGOBSA-N 426.449 0.944 30 20 ICED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1767961377 IVGGZFCXPORRCO-UHFFFAOYSA-N 448.505 0.662 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976633 MIQSOJRTRZIGSP-AIQWMZONSA-N 442.476 0.702 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778850533 DNSUWUHEMAFKJH-NRFANRHFSA-N 439.476 0.100 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779423504 QAPSMYNTXHBAEN-SIDJUTGSSA-N 447.492 0.426 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780427773 UUCDIGCCLQYDHT-NRFANRHFSA-N 432.477 0.828 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)COCCO)C4)c2c1 1781206799 HHBPOGGDJBYAEC-XMSQKQJNSA-N 441.488 0.571 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781370220 XGMLWTDRHGPLBK-PGRDOPGGSA-N 428.464 0.691 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781786864 COXHWJUFQZQLOE-HVUASRLOSA-N 438.525 0.554 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1783417342 ZESSGNCUEAZPDN-XLQQFJOYSA-N 439.512 0.852 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)[C@@H]2C1 1783566205 RELUKGPQPDNVQN-WHZNHKCRSA-N 447.488 0.017 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1)C(C)(C)S 1783778234 SDDRVTAHVOXZCA-KUHUBIRLSA-N 430.571 0.377 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1785378787 QHKNBMZCUNMYAZ-QFIPXVFZSA-N 428.489 0.099 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786795714 KJFJZRMUKILCPR-FJIDUMEYSA-N 436.553 0.622 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc1C(F)(F)F 1787744588 BXQVNCWAJBRXOQ-OBJOEFQTSA-N 427.379 0.725 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788565209 AHNCCINIQPAKSA-FCLVOEFKSA-N 427.505 0.859 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637116 HKASUYFFTRQDBN-VJANTYMQSA-N 438.590 0.779 30 20 ICED O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789708748 DOUZKGQMTOSEFO-SZMVWBNQSA-N 442.541 0.285 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1789953626 GRPJDCFXHCHIMG-DFEOGRTESA-N 447.536 0.915 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1790877834 CWJKJJKTWZFQQC-HTVCTNPSSA-N 444.504 0.980 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792484434 GPNUVDHCFUPVLM-TXJLERAZSA-N 436.512 0.939 30 20 ICED CC(=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)C 1793197673 MZCFWIBSVKPGMD-RRGZJZOKSA-N 432.521 0.839 30 20 ICED O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793713172 MLUBFRBUUDZCCC-HNTQOGNASA-N 436.472 0.733 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1796042741 CNGSKMCBXUJUBL-QDMKHBRRSA-N 427.509 0.160 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797136833 KLNHLFWLTJMTLI-YVSFHVDLSA-N 447.623 0.202 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)n1ccccc1=O 1797934479 YWIQHTOQBAQFFB-SHLSCGKVSA-N 426.473 0.711 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cc1O 1799883402 FRCIOYHCMAHOAA-IVWMJMPLSA-N 435.444 0.391 30 20 ICED 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]3CCO[C@H]31)C2 1800454925 RKMWIWRSRGDKLU-YGPNDZQQSA-N 447.532 0.481 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 1800778587 JGZVFIVLIHQOMP-CWPLJXCYSA-N 425.441 0.326 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1800980373 GTRVZEWMGDLLHX-ZUMXRPEOSA-N 431.514 0.581 30 20 ICED 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(CC)COC1)C2 1802129128 ZGYVYCVDDZSKGT-XMTFNYHQSA-N 449.548 0.919 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804126703 AKZQPAXSQUBMPR-NRSFXHEJSA-N 448.545 0.903 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1804128526 VJGOSBDKCDMPQG-MUJYYYPQSA-N 434.456 0.778 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813338198 GJRJZIXUPJFAPB-UZKOGDIHSA-N 436.516 0.971 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596427 DZPYYCGJHDIXFQ-UONOGXRCSA-N 432.481 0.527 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817317940 JBYARTRZUADYCN-HOCLYGCPSA-N 449.512 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819705875 HGTACGMQFYRTPO-GWCFXTLKSA-N 435.506 0.180 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1819907227 NIYOCJFATSSAKT-ADMJRKOCSA-N 426.495 0.593 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=S)NCC)CC1 1823749434 ORCDORAZLGVRSO-CNZFZVQHSA-N 449.621 0.949 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824769042 MFVGLKBFKMIRPN-HKUYNNGSSA-N 429.517 0.960 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196873 LBBGCGULRRCYLR-NXOUIPOBSA-N 433.513 0.822 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1829903680 BRWDWUITZHQGMM-NRFANRHFSA-N 426.429 0.565 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)c1ccccc1 1831143651 MUBYYNJBDCMMSE-QHCPKHFHSA-N 442.516 0.765 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831341268 PBRZZPMZBLDRJT-OAQYLSRUSA-N 449.529 0.371 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1831392105 JBEGERQLSACZOR-UZUQRXQVSA-N 438.484 0.738 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1831397841 XXSDQQRYBTUTLS-JPYJTQIMSA-N 429.517 0.861 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1831413735 GLMPNQCVAHAPBU-KNQAVFIVSA-N 439.553 0.730 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1831427069 SRLKUYCYVPLHOJ-LZJOCLMNSA-N 433.509 0.325 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831485213 RTBQSJSSCGFOJA-AEFFLSMTSA-N 441.510 0.202 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831628816 CQIBCVSUQALIQZ-SBUREZEXSA-N 445.516 0.848 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833554754 IONJRAOEANHPPT-UHFFFAOYSA-N 445.520 0.877 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)o1 1833901219 YHCIAIJZCHNAHC-JOCHJYFZSA-N 439.472 0.996 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C(F)(F)F)o1 1834218878 QEHJBYOTEVCJHK-GOSISDBHSA-N 444.362 0.765 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587432 ODSDRMFQLKQIBA-HSZRJFAPSA-N 443.500 0.556 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834753124 BFXZKLOTECVFCV-NRFANRHFSA-N 436.509 0.661 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1834756446 XKZHPEPGMBMROR-HXUWFJFHSA-N 430.486 0.433 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835123998 ZZGXZCANSIOZCQ-AVRDEDQJSA-N 449.624 0.773 30 20 ICED Cn1ncc2c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)cccc21 1835419600 PQPXHCVYDIJZBS-UHFFFAOYSA-N 437.500 0.847 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)c1ccc(O)cc1 1835534276 ZZWRWWONRBHHFS-MFSJNOQSSA-N 443.544 0.940 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835680160 GFANDZVLDKTTEO-QHCPKHFHSA-N 439.516 0.910 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1835681368 UDMJFCLQPDXDDZ-QFIPXVFZSA-N 444.536 0.147 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488773 QYDPODRABFSZIK-JOCHJYFZSA-N 430.505 0.189 30 20 ICED N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562404 KJOXLCOSSWFSOQ-SKFLCBSZSA-N 437.522 0.172 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625590 ANVYFBGXTFYIEJ-IIBYNOLFSA-N 432.477 0.068 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625749 JNBMHUPCMJKUKC-OXJNMPFZSA-N 436.534 0.431 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924061 HCHYPZBSNGJSEG-FOIQADDNSA-N 438.912 0.773 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1cccc1C=O 1837926234 KLEFKLGQAVUKPI-MRXNPFEDSA-N 429.473 0.948 30 20 ICED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1Cl 1838308552 NPNMMIGPSVETJQ-UYYUJSNXSA-N 449.895 0.856 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737133 JSHLOYUBFPSJOQ-QFIPXVFZSA-N 449.471 0.621 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742155 VJXYJOYCHZKMCM-SIKLNZKXSA-N 429.521 0.829 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953192 RNIMFTIVLQFKIO-HXUWFJFHSA-N 435.502 0.063 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839784430 WNCVTORZVUQWFD-WIYYLYMNSA-N 447.513 0.205 30 20 ICED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840022820 GVKQKBBFFMBEAF-KZULUSFZSA-N 442.394 0.423 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062155 NYRFWHZLZNIDAZ-XGVOGHQPSA-N 448.476 0.386 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840140176 ROTJEXPPOBNFPZ-GSHUGGBRSA-N 433.505 0.748 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840609171 UKIBTDZTJFZTRN-QTDGGUCWSA-N 425.485 0.829 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840885529 MWAGKMGXUZWVRL-KKSFZXQISA-N 441.525 0.833 30 20 ICED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846231465 UUTDFXGNYYBBMI-XOBRGWDASA-N 435.477 0.038 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846649228 YMPGZFXIXPVQNZ-GJZGRUSLSA-N 431.497 0.354 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2c(c1)NC(=O)CS2 1847262140 JBKBJXZIYYEFJG-HFZJXRFXSA-N 441.513 0.800 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(=O)n(C)c1=O 10781522 RYXQGFLXCWIKOV-CYBMUJFWSA-N 428.445 0.850 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 14144223 AGLYMEALMDQBOE-UHFFFAOYSA-N 434.478 0.597 30 20 ICED COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039210 UOEMPGQFXQGVQJ-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)c1 431991333 JPZDQGASAUDQDU-CYBMUJFWSA-N 443.485 0.857 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)c1 440498152 XDQIYRNEGPDEBD-GOSISDBHSA-N 433.420 0.733 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 443025078 JMECWKGHMQDHGM-ORAYPTAESA-N 446.510 0.629 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443705952 HEJVPWCIXABQSZ-OAHLLOKOSA-N 430.490 0.524 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 474331429 MRXDGMUIUKDTAE-UHFFFAOYSA-N 433.493 0.788 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478844957 TVBYWADZBGKXAS-UHFFFAOYSA-N 439.472 0.133 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265943 OZEBLGMOARKWOF-UXHICEINSA-N 438.532 0.607 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 489123306 UYMIICAVXOUOKL-UHFFFAOYSA-N 426.542 0.190 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490385736 LBTKSIHYYJWVAZ-CQSZACIVSA-N 435.912 0.836 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1=O 500369815 WKZHCFYCHCCIFZ-LJQANCHMSA-N 434.452 0.700 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 508343571 ACSSAZHGSKRVSB-UHFFFAOYSA-N 428.424 0.648 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)CCC(=O)NC 508841780 UMXWBZOPEDLOJY-UHFFFAOYSA-N 448.549 0.724 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(OC(F)F)cn3)CC2)c1C#N 511064875 RJOVUNPVWROKFS-UHFFFAOYSA-N 433.419 0.562 30 20 ICED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 520139597 QAEXZXCJTTVMLE-HNNXBMFYSA-N 434.518 0.322 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cccs3)c2=O)cn1 522384103 IHBKMQMIYAJTPT-UHFFFAOYSA-N 443.554 0.833 30 20 ICED Cc1cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 523123869 CXFBXVKNEKPUOI-UHFFFAOYSA-N 436.447 0.914 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 543753098 YOKGGXBFEYVHHF-UHFFFAOYSA-N 438.492 0.210 30 20 ICED CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc2O1 548042719 WJDFIGYQRZKPTO-MRXNPFEDSA-N 447.473 0.785 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNC(=O)CC3CCCC3)C2=O)cc1 557410139 XCRWHLZVQADCRH-LJQANCHMSA-N 439.516 0.588 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 565648103 CFVDFMVYIALNMW-GOSISDBHSA-N 437.504 0.639 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 565649473 UPAPEFFDELDURH-UHFFFAOYSA-N 449.308 0.707 30 20 ICED Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 574718704 QUPJKNJBLOBEOU-YLJYHZDGSA-N 434.500 0.995 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 579275769 NTDNHBIZQIVLDM-MBSDFSHPSA-N 440.500 0.572 30 20 ICED C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccc(OCC(=O)NC2CC2)cc1 585721592 IZNXIIYJZZMTDH-HNNXBMFYSA-N 427.505 0.625 30 20 ICED C=CCc1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 589250667 OAHXRXAPMDNCQP-UHFFFAOYSA-N 440.566 0.809 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 610952604 ZGVWKAKLAICXRF-OAHLLOKOSA-N 431.460 0.664 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 671828864 LKTPAHNAOCWOFB-MRXNPFEDSA-N 449.502 0.354 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725764970 GYWOYAMVNWJGBU-AOMKIAJQSA-N 426.521 0.815 30 20 ICED CSC[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 731392091 RSXRGGVIMCDZMU-AWEZNQCLSA-N 425.532 0.933 30 20 ICED CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)C(N)=O 742244907 AVXBWTZCHHEXJS-ZOAKPAGHSA-N 437.522 0.598 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521402 IDOMREZQRMUCMC-UKRRQHHQSA-N 448.501 0.934 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C3CC3)s2)c1=O 758053409 ICUWKUOYFWCHOO-UHFFFAOYSA-N 428.539 0.533 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 761036842 LHIPZBRHPYDQSH-UHFFFAOYSA-N 425.467 0.017 30 20 ICED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 761218576 AOYMUJQVCXUUMO-CQSZACIVSA-N 444.465 0.705 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 761230766 KKXWRNOCFNHOBN-IRXDYDNUSA-N 449.481 0.505 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc2c(c1)OCO2 769212661 OUISOEZTMQYIBW-UHFFFAOYSA-N 431.426 0.425 30 20 ICED C=C(Cl)COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771897716 QNKQKHVLYQDNTG-UHFFFAOYSA-N 426.882 0.918 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 772710416 NDKBXERPZANDIH-UHFFFAOYSA-N 430.504 0.491 30 20 ICED CCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 774771967 IPTIBYPVMVBBFM-ROUUACIJSA-N 446.614 0.961 30 20 ICED Cc1ccn(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 784296530 YKJDPWCIAVMDCA-UHFFFAOYSA-N 430.486 0.895 30 20 ICED C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793196978 OSJWQSRDXYRFNX-INIZCTEOSA-N 442.856 0.996 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)ccc1F 805364343 KVHGZBFKCYIQMW-CYBMUJFWSA-N 433.527 0.786 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 812038043 FJBZVCOQXQRHTB-IGCQWYOMSA-N 432.477 0.823 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273713 HARXLVKWSSZZHI-UHFFFAOYSA-N 425.461 0.257 30 20 ICED CCOC(=O)c1c(NS(=O)(=O)c2n[nH]cc2C(=O)OC)c(C#N)cn1CCOC 912560362 LUZPAYXXHMSNEU-UHFFFAOYSA-N 425.423 0.493 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 921131524 OYMANYBZVGEMGP-UHFFFAOYSA-N 445.339 0.586 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@](O)(CC#N)C3)CC2)cc1 1163162235 DSERPCGTCGQISH-OAQYLSRUSA-N 448.545 0.485 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 1170290531 NYZDCTXOQJOIJJ-UPTPFMHGSA-N 447.627 0.896 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)C1 1519530589 PCJKRUCRYBXAPC-APWZRJJASA-N 433.513 0.987 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)[C@H](C)C1 1540997188 AUOSFUGDFQMTAA-OAHLLOKOSA-N 425.493 0.874 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1555555186 MUFVOPXDJRERAW-UHFFFAOYSA-N 433.557 0.991 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1610315906 UKTSDJFVJBOZRD-SFHVURJKSA-N 448.549 0.956 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc(C#N)cc3=O)cc2)C[C@H](C)O1 1644037171 JJHVZFHCETXSAP-KBPBESRZSA-N 431.474 0.552 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1694780809 MZOIKQUUNPGDJK-RDJZCZTQSA-N 428.518 0.966 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1697024056 WEWGJOMLJVIUFJ-ROUUACIJSA-N 446.533 0.750 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1722478124 PPHMSUBINGTTAV-WDEREUQCSA-N 436.332 0.796 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1767822775 IPPUHHFORBEMAU-KRWDZBQOSA-N 438.536 0.999 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779070234 XDQVVIXFAOIEQH-GHTZIAJQSA-N 440.493 0.294 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779260461 JVXNXCKIURUHGR-WPVDLGPGSA-N 428.489 0.098 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779347004 DVRVKRCKQAUWCU-QFIPXVFZSA-N 446.504 0.878 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381388 ZZVFCTBAXYCSRR-FRCMGPSKSA-N 436.425 0.290 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779877266 SYMDFTXRGQOFFO-JOCHJYFZSA-N 434.456 0.513 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1780176991 PNIUSPBLSFZPNV-NXHTTZLHSA-N 441.484 0.888 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc5c(n4)NC(=O)CC5)CCO3)C2)c1 1780334898 PUFVJYSVDGNFFO-QFIPXVFZSA-N 434.456 0.923 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1781397059 UTNDVTVEORJKBV-YCRPNKLZSA-N 444.492 0.575 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781655274 YFZWLOVHAJEQTQ-BIZBXSGISA-N 442.578 0.651 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195360 YZPKMHXDTGKXID-FPTDNZKUSA-N 438.488 0.793 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cccnc3)C[C@@H]21 1783531316 PRIMFVINYARXTF-HQAXBYDXSA-N 441.532 0.720 30 20 ICED CC[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 1783580664 UWJBYTZTWPOXIB-CACUDANYSA-N 438.525 0.410 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1785377459 INLSSCZTDZCTCE-JTSKRJEESA-N 426.473 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccccc4n3)[C@H]2C1 1787839864 ZVFYWLGATOEYPQ-SAWCTPMISA-N 437.500 0.786 30 20 ICED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)c1ccccc1 1788710685 PHFCHKXURQHLKF-MUGJNUQGSA-N 426.517 0.832 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1790175845 MRLZMFGTDZFWIF-ILXVDBEPSA-N 447.492 0.323 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3O)[C@H]2C1 1790263324 JDZVRFOKSMYXHH-FNHZYXHNSA-N 430.505 0.973 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792142295 ZDPGFXXYQVODNW-DWRORGKVSA-N 439.516 0.873 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCOCCOCCOC)C2 1792569957 VCHZONKPLDAVRD-UOWARQBLSA-N 437.537 0.553 30 20 ICED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1C 1793130220 MXEGLNRHWSJZOX-OPMZPASUSA-N 428.533 0.559 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793231100 KKTSGYOLUHBQNL-RCLSDMTESA-N 443.544 0.921 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1793369830 QDZZLHUSUPUYPM-FZDIXFNVSA-N 433.530 0.637 30 20 ICED 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)N(C)C 1795460590 CIARQTGMESZRFT-FZKCQIBNSA-N 438.525 0.134 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140315 SFQWMSKAMYXYQD-IZZQQSIFSA-N 425.551 0.051 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CSCSC1 1797840785 FRYBNKXCSWXJOP-VIQHNZTISA-N 427.592 0.657 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(C)=O)C3)c(C#N)c1 1799239438 HNYGULHYJBNFLJ-OPMZPASUSA-N 428.489 0.225 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C3)c(C#N)c1 1800031872 QEQRILKKIBNCAL-DFGXFYAUSA-N 439.472 0.346 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H](O)Cc1ccccc1 1800635024 VTEIPIAGFNRUIB-UINAKDQVSA-N 445.516 0.709 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1802042402 URTTUUZPGZPULZ-SVGPFZOTSA-N 437.537 0.781 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1811889315 CUFIETUYUYCERU-WIYYLYMNSA-N 446.467 0.825 30 20 ICED Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2nccn12 1812171460 XHVKANRMUHWGJQ-OXJNMPFZSA-N 432.440 0.840 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)CC1 1814472674 YGSREWBELZQSPQ-AWEZNQCLSA-N 430.534 0.523 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817317941 JBYARTRZUADYCN-ZBFHGGJFSA-N 449.512 0.748 30 20 ICED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)C(=O)C(=O)O 1819480638 BXGVLADURXGJBB-LKKXKRCMSA-N 444.448 0.657 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3ON=C(c4ccccc4)O3)sc2C1 1819592557 FBGQCEOIQACRRR-BUXKBTBVSA-N 440.437 0.878 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1829765248 ORVSMRMVRIOBJK-HZQHCPKGSA-N 434.518 0.000 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1829769480 VCGWSLBQCLTBFA-GFCSNGQLSA-N 436.509 0.102 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1830178750 LXUGRKFSUIEMAX-QFIPXVFZSA-N 446.525 0.574 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830675673 HZWCJZZEPMTZTR-UPWIVDSGSA-N 440.500 0.619 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1831228822 MIZRPANCJWDVRI-HTAPYJJXSA-N 429.473 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccccc3)C2)C1 1831391336 NPSBQSLXRRRKCA-XXBNENTESA-N 430.501 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831424311 HBFIGSDJXUUDTE-YCRPNKLZSA-N 429.477 0.619 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831726933 DUVNUSGCSUATPP-JOCHJYFZSA-N 437.456 0.367 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1833080958 WZCDBWIRNNCTJM-HSZRJFAPSA-N 437.500 0.762 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1833469230 MWAMRTAPOXJSHD-LPHOPBHVSA-N 439.578 0.174 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977934 PHSKIIAVRACSRF-OVIGCCJXSA-N 433.465 0.076 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)c1 1834450333 BQKNXYDZTZPVMK-QFIPXVFZSA-N 439.472 0.441 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1835677917 PYZILXVDOYYXMA-OAQYLSRUSA-N 431.493 0.139 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837328067 IRYOKLXMXYWLMU-OAQYLSRUSA-N 432.546 0.821 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837366967 KOFNLMMIUTUOQO-OAQYLSRUSA-N 443.891 0.866 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443751 QJKPEQLVIKTKRW-YQNSVDCASA-N 429.521 0.932 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837445971 DCFRFYCQKIFQEB-IGPUNGKJSA-N 446.504 0.640 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837446466 BXTMMQZZZIQASF-RWTMDTCBSA-N 446.552 0.681 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490393 BVWNFHDCNRMRDO-CYFREDJKSA-N 448.560 0.715 30 20 ICED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562734 OMJHHQDVWQOFBB-UYYUJSNXSA-N 447.517 0.816 30 20 ICED N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccn1 1837562754 OYSIZOQHOWJTKB-LVJFVWMNSA-N 441.488 0.250 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564316 HJCYJDXSJHUGLX-HDGHWJFNSA-N 444.492 0.083 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)CCC1 1838405303 QJGWMBIWMFXWKO-FQEVSTJZSA-N 434.537 0.329 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756133 VNSLKLXTESJTNX-KKSFZXQISA-N 435.525 0.694 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1839174102 FZRKWUUERDXRPX-NRFANRHFSA-N 432.477 0.364 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839224099 DVYYJGWSVZYOFW-KDOFPFPSSA-N 429.543 0.260 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(C)c1)CCO2 1839307782 ZIERYTGGXQARNE-KSEXMQBYSA-N 443.500 0.629 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1839420487 LXYAVZIZMDINCP-JOCHJYFZSA-N 444.463 0.390 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1)C(F)(F)F 1839892165 XFCHRTCSQGKXTC-SFHVURJKSA-N 442.394 0.369 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840171001 IJLNXYQGYDEROV-DHJUGAMNSA-N 445.516 0.198 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840180599 FGLHSZDWCAUHOT-FGZHOGPDSA-N 445.472 0.244 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840180817 XUXDYBDCXGLEIL-WTNAPCKOSA-N 438.521 0.827 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197068 OYNDQZACVSQBSQ-QRQCRPRQSA-N 431.489 0.925 30 20 ICED C=CCNC(=O)NC(=O)CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 18379052 BDZSZYYRZZELHS-UHFFFAOYSA-N 428.478 0.564 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 409524742 ZVVSMXIOHVNHMV-CQSZACIVSA-N 444.535 0.100 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 409575655 LOSQJCUPMLSRRE-OAHLLOKOSA-N 430.552 0.523 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)CC2 443119600 ZDXBVLIMGPUVDO-UHFFFAOYSA-N 434.424 0.820 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 446530737 OEDOZVQJURKKQD-UHFFFAOYSA-N 443.504 0.172 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)COc1ccc(F)cc1 460573027 IQCWHBYOLQLJSQ-MRXNPFEDSA-N 438.419 1.081 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 460620138 ROQSXORSKNRZPN-UHFFFAOYSA-N 441.455 1.001 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n1 460694859 ZQDGXLNENHWHFE-HNNXBMFYSA-N 433.432 0.123 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460696714 WDUWNISEOVHSTP-UHFFFAOYSA-N 443.423 0.832 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 462096507 IXQDLBJHRUVZKO-INIZCTEOSA-N 429.506 1.479 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc1 467553030 IGPCURUIFIMLGF-GFCCVEGCSA-N 427.482 0.169 30 20 ICED N#C[C@H]1N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[C@]12CCCCO2 468120541 KWDVQLHPNPSTQO-WIYYLYMNSA-N 446.529 0.875 30 20 ICED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 471238375 IJQOANUKUZQTGR-CYBMUJFWSA-N 430.889 0.536 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)n1 479366748 QMJHQFQOAVXPDS-UHFFFAOYSA-N 446.554 0.038 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccon1 480962170 MATSATSAZQFQPD-UHFFFAOYSA-N 446.510 0.282 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 490411868 SYAWTCMHYSLNGX-INIZCTEOSA-N 443.504 0.287 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 491053761 UASYLABTSGNFKT-UHFFFAOYSA-N 449.939 0.865 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)nc1 513125478 FTNYQKRDJDHQGY-UHFFFAOYSA-N 447.542 0.998 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)nc1 516484654 JHAGZSHQKLAQRS-UHFFFAOYSA-N 448.483 0.713 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCC)CC2)cc1 516735707 UCGSEVYPSLEYPA-UHFFFAOYSA-N 441.532 0.720 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1F 526038159 QERQPKVSUVUYCN-CQSZACIVSA-N 429.473 0.341 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532197099 CKKKAXJVDAHRSA-AWEZNQCLSA-N 444.473 0.877 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 543352140 PXVUNSLEIYTYIT-UHFFFAOYSA-N 429.477 0.882 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 543767230 UNEFQKGZOYVVSI-UHFFFAOYSA-N 425.424 0.838 30 20 ICED C=CCn1c(Cc2noc(CSc3nnnn3C3CC3)n2)nnc1N1CCOCC1 547048517 FZGNFJVXTBXXNC-UHFFFAOYSA-N 430.498 0.888 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@@H]2CCCO2)cc1 549854484 NTVGDCRMTAJULL-IBGZPJMESA-N 449.515 0.923 30 20 ICED COc1ccccc1OCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 555655276 DZBORSDRRYNIPU-UHFFFAOYSA-N 426.477 0.453 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 558528769 ZAJKDFHHTQEBIC-AWEZNQCLSA-N 437.382 0.457 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 558963544 OKFUVCAJUYJRNZ-NWDGAFQWSA-N 438.476 0.969 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 585760587 NJBZCRZNSZMMIE-UHFFFAOYSA-N 432.506 0.645 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)nc1 587659578 STIKHSYPNWDCAF-UHFFFAOYSA-N 444.499 0.654 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 603747763 ZMMWXYIFELOXSH-LJQANCHMSA-N 449.577 0.931 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669809510 QXRLSMJYXBXTNJ-OAHLLOKOSA-N 429.510 0.625 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 726577469 QBXZJTRAHRTTEM-UHFFFAOYSA-N 436.518 0.941 30 20 ICED C[C@@H](OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 728719196 QPUBIHITLXEUCY-INWMFGNUSA-N 443.909 0.768 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2)C[C@@H](C)O1 731772750 WPHROPGZYGNZKO-ZIAGYGMSSA-N 433.490 0.992 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 734039689 WUCULQTVQOKAGU-CQSZACIVSA-N 442.453 0.740 30 20 ICED C[C@@H](CC(=O)NC(C)(C)c1noc(CN(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742611627 CYFKANBFBSZFSC-LBPRGKRZSA-N 434.522 1.000 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 743900335 GSMLWNQYPDWAFY-UHFFFAOYSA-N 428.445 0.578 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCCN3C(=O)c4ccncc4C3=O)C2=O)cc1 744219536 GTRWZEVFZXDEDV-KRWDZBQOSA-N 447.407 0.998 30 20 ICED N#Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 748289742 YPCCSCMPQLRKPR-OAHLLOKOSA-N 427.438 0.985 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nc3ccccc3[nH]2)CC1 752883128 MMITVWPRWLSJLV-UHFFFAOYSA-N 438.513 0.946 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 755628483 SADKFLFHDNKOLT-UHFFFAOYSA-N 435.452 0.196 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758057067 DGPVOAHAIHHGRL-UHFFFAOYSA-N 447.520 0.384 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 758079794 RWQUZXKAJXYROD-UHFFFAOYSA-N 427.457 0.053 30 20 ICED CCOC(=O)c1nn(C)cc1[C@@H]1NC(=S)NC(C(=O)OC)=C1C(=O)c1ccncc1 769855067 OFWDILBWXCXCSA-ZDUSSCGKSA-N 429.458 0.821 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 771284031 KAQIDGZLZNHTHY-NEPJUHHUSA-N 425.413 0.284 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)C[C@@H]1CCCO1 781513708 ANWHKXIYPRIOPY-AWEZNQCLSA-N 443.547 0.911 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)n1 787109336 RFMYVFQLVMKHIW-HXUWFJFHSA-N 431.537 0.251 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797412017 ADHQXSKHUQAZRK-UHFFFAOYSA-N 445.504 0.543 30 20 ICED C[C@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 799863477 WRGSIAMRKNDLNW-ABAIWWIYSA-N 449.508 0.860 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 803861255 XCSAQCMUMGNBMI-MLZJXEJWSA-N 438.506 0.718 30 20 ICED N#CCCNC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 825249080 QMUUWVUGUUUJGW-UHFFFAOYSA-N 425.463 0.479 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3S(C)(=O)=O)CC2)o1 914684685 PLYSFFLJOWOMJW-UHFFFAOYSA-N 432.458 0.764 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2(O)CCOC2)cc1 1302990140 ZOHIHFSDOYJJSZ-NRFANRHFSA-N 426.477 0.439 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1315066023 YCJQTQOMGQUORD-GOSISDBHSA-N 448.549 0.996 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1319824435 BWQHSSVKCUDLOZ-CRAIPNDOSA-N 426.516 0.064 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CCO1 1475371026 LIWYANLDKHHLNL-WFASDCNBSA-N 436.303 0.798 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1509683472 HYLVCJUSPLGTPV-SFHVURJKSA-N 444.584 0.704 30 20 ICED C[C@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1627880062 KQERJHBSWFYULK-MRXNPFEDSA-N 436.534 0.918 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)C(=O)NC 1696338051 URUNZTLNZUXUKM-OAHLLOKOSA-N 441.540 0.964 30 20 ICED CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1696475625 UGYIVKWNDZSTMI-CYBMUJFWSA-N 432.572 0.453 30 20 ICED CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1697174473 SFDNUEHKWKRJIY-IMJJTQAJSA-N 426.543 0.774 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1770740790 NPHXIPRQDGKKOM-UHFFFAOYSA-N 447.517 0.505 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc21 1778380461 WUHNTLMWGZIUON-XMMPIXPASA-N 447.495 0.512 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779017546 QURTVMPTRMCEBM-PXYXSCDOSA-N 425.493 0.873 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1779315464 NGQBUTUEHBGGGI-UTKZUKDTSA-N 448.907 0.806 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360622 FYLLCENCPKIJSZ-IKWZFNDKSA-N 435.569 0.887 30 20 ICED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1779897222 BYXBVFMFXXUWDY-XCKVFWMBSA-N 433.465 0.458 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)c1 1781779443 AEKZJHOUSHPNFP-QXATTWAWSA-N 428.464 0.961 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782184594 PPIXYGPGRVOPIC-IBGZPJMESA-N 427.373 0.003 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218058 QCVVQWORCOQYEB-XIRDDKMYSA-N 449.464 0.280 30 20 ICED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1785467571 JNODWYCQQZWHFG-YEWWUXTCSA-N 434.460 0.470 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1785571146 ARMAMUCLADWSMK-QVKFZJNVSA-N 431.493 0.770 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787603372 BUEFTLMLFPGLAL-XPYUAMARSA-N 429.473 0.500 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788604215 XAHXTVCBIFZOKO-OXTUAAPVSA-N 444.536 0.731 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1788629790 AVMIKKWWUCIWRE-FHWLQOOXSA-N 426.517 0.697 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21)C(F)(F)F 1790882927 YBVJBHLATVZPLZ-ULQDDVLXSA-N 444.498 0.865 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1ccccn1)C2 1792490149 MGVFZDOGKOOTIX-YHOXAOFOSA-N 427.505 0.330 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)NCc1ccco1)C2 1792565969 LGZOJPUFOLYAQM-HPWLTNHLSA-N 440.500 0.949 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793255236 WGMAVAABUOECHM-WGVRVLLMSA-N 428.489 0.441 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795874485 CXYATSYIIOWSHE-ZMMAXQRCSA-N 445.520 0.389 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797759212 CZCIQXXENWGXSL-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3sccn23)CCC1 1798415629 ABYHHNQCNMHBBV-YWVIFJGQSA-N 427.486 0.653 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494948 ZZFBXZPVGPRRIU-SFJGZRAYSA-N 425.555 0.638 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1OC 1798767320 PFLKWZUYAXYOJD-BAFQNWIYSA-N 445.520 0.774 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)cco2)C3)c(C#N)c1 1799237585 TUAWMSIFCHHDIS-FAQVEIGNSA-N 437.452 0.966 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2)c1ccc(O)cc1 1801054717 WOAHASSNMILRSV-FSWZZPBRSA-N 427.501 0.613 30 20 ICED 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[nH]1)C2 1802127972 TXQZCPIHAHJIEC-LOUJCGABSA-N 447.492 0.235 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)C1 1802198715 VSKNHGRLMNBHRX-QDMKHBRRSA-N 436.484 0.839 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1802487351 HTAXWIWKJINBKL-AQZVRURSSA-N 436.472 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1802488424 WXUBUXPYPZDWAY-GLPQSPQZSA-N 439.472 0.740 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803450795 QUHIOAVXGCPTNR-OXQOHEQNSA-N 431.456 0.546 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804339965 CHTNLXSSJCWQTP-MBOZVWFJSA-N 443.504 0.668 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)CCC1 1810357018 LNTJYLVXYJEYCK-QWFCFKBJSA-N 427.505 0.432 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810357391 FUONSKGMPKFZOX-LMMKCTJWSA-N 438.475 0.949 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]3c3cccnc3)c2c1 1814227164 AHROQSISEMWWFQ-YWZLYKJASA-N 446.471 0.817 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324025 RLLQMVOCXNDMCA-WDEREUQCSA-N 443.489 0.691 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819843927 PGUROMKKXYATRT-KGLIPLIRSA-N 447.561 0.347 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196871 LBBGCGULRRCYLR-FXDLTUPKSA-N 433.513 0.822 30 20 ICED Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c(C)n2n1 1830056583 GPVKUFCLJVWBGG-NRFANRHFSA-N 441.492 0.361 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3OC)C2)C1 1831387832 LRIIPXXDGOSBNF-WZONZLPQSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1831391751 UXIKBZRVUHAEBN-NOXFTYBFSA-N 430.501 0.869 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)[nH]1 1831861612 SAJAYMCECRKLMB-JOCHJYFZSA-N 449.471 0.850 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(F)cc1F)CCO2 1832141408 UKTMPNXGTYXBMP-XAFBZQIESA-N 434.395 0.522 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833490031 ZQWRPGVTHMIXIL-RDJZCZTQSA-N 439.582 0.111 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(C)c1)CCO2 1834278843 XYRQBMVJJIFINT-XSAUMEDDSA-N 428.489 0.318 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756167 SUVADHPLMXBIKI-HRAATJIYSA-N 436.509 0.826 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797714 ZGESGRHYKIBGKJ-UHFFFAOYSA-N 439.520 0.406 30 20 ICED O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CN1 1835097261 RTVCJWCWEIHXJL-AUSIDOKSSA-N 425.485 0.021 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1835351992 IOXKDLDXLKFPDD-UPWIVDSGSA-N 440.500 0.619 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835840490 SKSRJPIDMURLNF-OXQOHEQNSA-N 438.569 0.300 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837242875 MIPLIMMLSYOFFV-SKBDVJSQSA-N 431.555 0.402 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1837431526 SFCAFPAXOJVXTA-OAQYLSRUSA-N 440.613 0.503 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837488759 QEICSFKDEVUSJH-HSZRJFAPSA-N 427.501 0.850 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837525021 RNUTVSVFVNBWRN-WWCXEQRYSA-N 447.492 0.384 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837527851 YEFBUWDJCKDFMB-HVHIPWAVSA-N 439.509 0.398 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837675925 DHEQCWQPVUCHHU-GAJHUEQPSA-N 442.516 0.933 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cc(Cl)n1)CCO2 1838242831 UOOUQGNWOGZUKS-SFHVURJKSA-N 442.255 0.546 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838349084 GLBVCULAEXCTRU-FFCJBUTOSA-N 443.460 0.267 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c(C#N)c1 1839133537 VDSLIYXAMQMYIY-MBSDFSHPSA-N 443.500 0.602 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839224100 DVYYJGWSVZYOFW-KSSFIOAISA-N 429.543 0.260 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839228826 QFVPJIMXCJLEOV-FRVUEHSBSA-N 425.526 0.795 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c(Cl)c1 1839424097 OCZPQUCQIJUVSL-HXUWFJFHSA-N 445.863 0.158 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516176 DJWVJUXDPYQYGT-IIBYNOLFSA-N 434.493 0.327 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)c1 1839629915 UVKLULHVDLBEOF-NRFANRHFSA-N 435.444 0.541 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1840168535 SRTOJLYTVNVMBJ-QFIPXVFZSA-N 425.489 0.911 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1841583013 LRGJKPANBWGVPF-ZDUSSCGKSA-N 444.517 0.579 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)cc(C(F)(F)F)c1 1841961884 INDCUEPFQIZVBG-CQSZACIVSA-N 449.389 0.992 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](C)N2CCN(C)CC2)C3)c(C#N)c1 1845139453 SHNWQFZBZCMCLT-SFHVURJKSA-N 439.560 0.949 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1847071459 TUNBFOOTYMYLNB-HZPDHXFCSA-N 432.521 0.633 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1847080788 BXUFNQDRDCZXOB-UZUQRXQVSA-N 448.564 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)n(C)c(=O)n2C 1847262395 WTNGNNIZQCMTGJ-OPDSQHBBSA-N 437.500 0.551 30 20 ICED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2cc(Br)ccc2c1=O 1847850212 ZAQFNDULDYHVMX-HOTGVXAUSA-N 429.274 0.994 30 20 ICED N#Cc1ncccc1S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)CC1 428414452 PUCYJQLOKFRHFC-HDJSIYSDSA-N 446.514 0.788 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccccc2Br)n1 429778809 HAGNWBNWHCYWLY-ZDUSSCGKSA-N 434.294 1.465 30 20 ICED Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1S(=O)(=O)NCC#N 434376685 GWZIJTAFFFBOJH-INIZCTEOSA-N 427.486 0.836 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 441225315 DZLVXPXORYHWGY-OAQYLSRUSA-N 442.476 0.769 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 441970156 JGXSCRLMKIXKAZ-INIZCTEOSA-N 434.460 1.326 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCSC 443555054 WSJZDYPIMOKCCE-UHFFFAOYSA-N 432.571 0.632 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 446674867 DXACZULORWNYNF-QGZVFWFLSA-N 432.546 0.628 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cn1 460732110 ZUBXSUDMLLFJGC-WRFANHODSA-N 445.439 0.001 30 20 ICED Cn1nc2c(cc1=O)CN(CC(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CC2 462961726 BJHSOXFTJAUVJM-UHFFFAOYSA-N 449.471 0.607 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc21 465193263 NTQOKBMWSUOHLZ-HNNXBMFYSA-N 447.499 0.724 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 465267474 QDSITPQQUVDOFW-AWEZNQCLSA-N 438.448 0.793 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 468288202 URTQIBQKAZGELL-OAHLLOKOSA-N 431.474 0.066 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)[C@H]3CCCO3)nnc12 468651214 BCWKSSLRDOIDEV-GOEBONIOSA-N 429.502 0.978 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 468905395 HLKNQVUOJDDTCX-MRXNPFEDSA-N 432.524 0.813 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c(C#N)cn1CCOC 481354128 ZIGIZPXXCIHKSF-CYBMUJFWSA-N 427.483 0.468 30 20 ICED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485636839 QSXDOPYIXZZITO-UHFFFAOYSA-N 444.473 0.683 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)OCO2 487880097 RDEQRXVEMLXEQE-UHFFFAOYSA-N 437.412 0.756 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 488991780 YOMOTWSIOIDSPG-UKRRQHHQSA-N 441.534 0.988 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 491246994 MIIGBKRSXOLBEW-UHFFFAOYSA-N 430.896 0.911 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 497695568 HEUOXTWWPHQRNB-HXUWFJFHSA-N 437.548 0.967 30 20 ICED C[C@H](O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)C1 501951981 YJPCCWKEQRWHJN-IRXDYDNUSA-N 442.520 0.842 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Cl)c2)c1=O 523081463 AXPMUEGVOYUKOO-UHFFFAOYSA-N 435.933 0.865 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc2O1 527089134 RVIBZXCFEUKIAR-INIZCTEOSA-N 426.433 0.222 30 20 ICED C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1S(C)(=O)=O 537373374 YVYGNYMXMPCURF-HOTGVXAUSA-N 425.580 0.423 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c2ccccc21 547434137 HAUAAJIXPNPDMQ-UHFFFAOYSA-N 437.525 0.883 30 20 ICED CCN1CCN(C(=O)CC2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)CC1 553175640 WRIWTYGAXYKPSQ-QFIPXVFZSA-N 446.640 0.945 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N 569124410 CUPUBVJYCXFDAQ-MUJYYYPQSA-N 436.604 0.254 30 20 ICED N#Cc1cnn2cc(CNCCS(=O)(=O)N3CCN(c4ccccn4)CC3)cnc12 570948625 RRBXTMZSFDYINV-UHFFFAOYSA-N 426.506 0.238 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 584689447 OHCFRIYLJVRAOV-UHFFFAOYSA-N 435.527 0.958 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589038228 LCNQJHJUSQFEFW-CRAIPNDOSA-N 435.488 0.251 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 590998569 VBSXALIYTBYDMB-UHFFFAOYSA-N 427.482 0.282 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC)c(C#N)c3)c2=O)cn1 610245145 YWPDXXIVAAWOQJ-UHFFFAOYSA-N 434.481 0.245 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC(NC(=O)COC)CC2)c(C#N)cn1CCOC 614215660 VTJMSRKDPLQJKG-UHFFFAOYSA-N 435.481 0.942 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3F)c(=O)n2C)CC1 619695395 HNSRSBGLKRSQCU-UHFFFAOYSA-N 430.505 0.262 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CN3CCCC3)nnc12 646221156 AEPAPUMTNRZPCB-OAHLLOKOSA-N 442.545 0.895 30 20 ICED NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726398176 AUEMWAJWQKJJRF-OAHLLOKOSA-N 429.502 0.664 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)n1 726877266 DEQLZSWJOLEIMZ-AATRIKPKSA-N 445.530 0.849 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)c1 735824828 SJDUDKSCOHEDQD-GOSISDBHSA-N 447.538 0.823 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)ccc2F)c1=O 758087889 AQEHKRIJXJRMMN-UHFFFAOYSA-N 438.528 0.658 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 759950331 HTCRSCMGBQUDNY-OQCHKFKFSA-N 443.551 0.784 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1 765161537 XEPRPAFANGNCCC-UHFFFAOYSA-N 433.471 0.790 30 20 ICED C[S@](=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 775987552 KAFRMBKGHSWQJX-WRGVRERRSA-N 435.569 0.531 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 782969523 XNEWQXVXHXLLJC-HNNXBMFYSA-N 426.466 0.828 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 783347135 HBYKQYCDEJTULF-UHFFFAOYSA-N 431.536 0.371 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C 783350953 SJSBXKUMMRELGU-UHFFFAOYSA-N 431.536 0.802 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c1 785003209 BTOVXXQBEIPKHE-KWUYDORLSA-N 449.533 0.598 30 20 ICED CCn1ncnc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797378427 WIMRRUAVMZPGNR-HZHRSRAPSA-N 433.494 0.366 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)CC1 799252908 HBYHOVCNBZOYDW-IBGZPJMESA-N 440.500 0.531 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 799287542 RKVQMCBLTVJHLT-INIZCTEOSA-N 434.518 0.766 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(COC)cc(C(=O)OCC)c2)CC1 815449320 LERPBPMXDRJORX-UHFFFAOYSA-N 429.473 0.936 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 916520805 RJQQNFTXUOXHMV-UHFFFAOYSA-N 433.494 0.686 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1162640734 VEDKWEKYZAODHW-OAHLLOKOSA-N 449.533 0.258 30 20 ICED CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1287096608 ZVMBBQNLKMMFSY-DNVCBOLYSA-N 440.545 0.733 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1292122842 YTTYUMIAWPDCLO-QXATTWAWSA-N 445.568 0.913 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1297687457 VYJVYJMVUHOWIB-UHFFFAOYSA-N 434.522 0.688 30 20 ICED COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1315114884 RPVDUSXZCSEIQC-KGLIPLIRSA-N 441.558 0.963 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1=O 1321428205 WOMHHZIAQLIHRV-IBGZPJMESA-N 437.500 0.949 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CC1 1541005361 RMIXMXMTIMJNHB-GOSISDBHSA-N 428.541 0.523 30 20 ICED Cc1nc(=NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)n(-c2ccc(C#N)cc2)[nH]1 1641300661 OKEBNWCBAYEXNH-UHFFFAOYSA-N 438.469 0.817 30 20 ICED Cc1cc(O)nc(N2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1645360225 OWHRTLOPHLUAJU-CYBMUJFWSA-N 430.490 0.314 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1655722516 OHMKFUAZNWCMOF-GFCCVEGCSA-N 430.280 0.763 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cc1F 1723956162 QUDZGDXVPLEKLG-BXUZGUMPSA-N 426.449 0.944 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1742713349 NGOAAQZCZCKNSW-VQIMIIECSA-N 428.541 0.837 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1748053091 ODYBFWGOAGAFBM-FXAWDEMLSA-N 430.534 0.507 30 20 ICED CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750526721 SFFUZWULJQZXSJ-HZPDHXFCSA-N 438.554 0.020 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760300194 BKBYAUUJVQYTPX-LBPRGKRZSA-N 449.375 0.856 30 20 ICED CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764536824 BSCATAZUHUBALW-QGZVFWFLSA-N 428.541 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2snnc2C)C1 1778237290 XSJHWLLCSBRMBT-JTTZZOPQSA-N 433.534 0.832 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778845734 BHLKAQCKGDAZSX-NFBKMPQASA-N 436.597 0.731 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1779000194 RUZLJHNUGPQHEX-IBGZPJMESA-N 428.627 0.912 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020142 YZSYFKQPRBHGTJ-PYCLYAJHSA-N 435.525 0.817 30 20 ICED COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101143 HZAFYYZAQLHFFW-DTKOAWRHSA-N 436.465 0.794 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237909 VOSSDJVTDGMOBY-HXOBKFHXSA-N 446.548 0.690 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1780172509 NXQMPGJOXJDCKQ-WIYYLYMNSA-N 447.513 0.588 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cccc(=O)n3O)CCO4)c2c1 1782192581 MCICPQQBEMXEKQ-JOCHJYFZSA-N 448.439 0.591 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)C1 1784082045 QQMPJFRIUDVLGY-PJVZLEMVSA-N 448.564 0.837 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1784485441 LYHOBQNYYWJYNY-HPZZRFSDSA-N 429.502 0.718 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1784616477 MNNFYQMANPWITA-QHCPKHFHSA-N 436.468 0.988 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376167 KWDQREKILJUWAN-JOCHJYFZSA-N 428.489 0.682 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1785574841 UEGSRHZGXIRXIA-VGSWGCGISA-N 436.553 0.685 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398735 WYWLITCJGYXDKZ-HILJTLORSA-N 436.578 0.566 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1788573413 XAIRPPCMWOKKEO-LAQRGFTBSA-N 448.520 0.266 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789930002 XONMQVYNDUYGQX-QXKUPLGCSA-N 445.582 0.560 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](S)C(C)C)C[C@@H]32)c(=O)nc1O 1792130652 VDFYFNMHPIKAAT-QBYUYEEZSA-N 438.550 0.191 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1793357695 XHSZPGCOSMCMLW-OAFZBRQQSA-N 440.500 0.728 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1795417951 RIHBBUYPGVXARP-FVCICTRLSA-N 435.444 0.078 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnn2ncccc12 1796278295 UFEHPXXOYLNLJF-KXJCPHRKSA-N 425.493 0.404 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1796321194 OUMSETXUEPSAER-WQDJSCAQSA-N 443.504 0.146 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cc(C)cnc12 1797417272 HHDOHOFWDQAPRD-DFVPARBNSA-N 438.488 0.099 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1797710851 NUAOIOXBRMEEIM-PJDNKZPLSA-N 445.516 0.919 30 20 ICED Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811801 XGVDYSNSSNCDRW-KOHDCPCVSA-N 437.522 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc2cnccc12 1798454878 RAZUMNBSVGOKJD-VQNZHGJDSA-N 435.484 0.691 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)nn1C 1798760652 JESJBXIUIABGRP-HBCWATKFSA-N 427.436 0.956 30 20 ICED CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239687 GMLIBOMDPNTEQY-GYYSWGFYSA-N 447.557 0.858 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1799390197 HLLWHTZBKNXZAB-GGXPGOJBSA-N 433.509 0.525 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298902 UXAWRYAOOJPEJF-XVAUXIKLSA-N 433.574 0.530 30 20 ICED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1800836848 OCGKHALHBLPTQZ-NBMJBFSESA-N 432.583 0.600 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c1 1801120517 IOSXZMXKWDRRFA-NMZZKHSVSA-N 436.468 0.442 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1801992367 AXPCKSFRNFYPJK-FEJSZKPUSA-N 435.484 0.949 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1802497413 HLEKBZBFIORABC-QEMYTCDYSA-N 439.516 0.472 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)N(C(=O)OC(C)(C)C)C1 1804478503 BMCMTPMBNLLOQD-FZKCQIBNSA-N 435.525 0.859 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2nc(C)no2)[C@@H]1c1cccnc1 1807516600 AWFPYKBCNMVSDK-JZXMRFPWSA-N 438.488 0.880 30 20 ICED COCCn1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1808659000 FNVFLIVBSOMOGG-UZLBHIALSA-N 425.445 0.332 30 20 ICED C[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)n1cnnn1 1810290454 XTICWHNELPTIAX-PUTBAROASA-N 439.524 0.807 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814982224 MFYFBOPTVCMKFG-OCCSQVGLSA-N 432.550 0.958 30 20 ICED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819881870 OHWWHHUSJBWMDC-SJCJKPOMSA-N 426.564 0.625 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1829755347 ACZMREANTGSCEA-ACJLOTCBSA-N 440.526 0.451 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907319 HGZIJZJECXAARL-HSZRJFAPSA-N 428.533 0.897 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831219033 NGQSAPQSLRZKNG-OAQYLSRUSA-N 429.429 0.784 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831491341 AEGGLHPLYVPRRV-PXNSSMCTSA-N 433.534 0.754 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cn1 1831952605 IKTOJPZLXOJFSS-HRAATJIYSA-N 434.493 0.961 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832046025 GJFLCRTUKKOVIV-OPAMFIHVSA-N 448.520 0.756 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832893328 WJAKBBMPRQCTBJ-HXUWFJFHSA-N 430.486 0.433 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1833753337 WNXFOYFNXOIZQP-JOCHJYFZSA-N 430.505 0.744 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1C(F)(F)F 1835342303 QBCANWCBXVKBNG-SFHVURJKSA-N 441.410 0.813 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835364862 JBJQNXCMLJWQQU-NRFANRHFSA-N 436.509 0.615 30 20 ICED C=CC[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1835556191 XYSOTJDTKVREMC-HRAATJIYSA-N 440.541 0.261 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1837394602 DSHHURFGWVKUAS-WMZHIEFXSA-N 446.548 0.791 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490901 SPROZNNXUZHWRQ-HSZRJFAPSA-N 440.500 0.655 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837880875 HGUJZOITGFBJQX-QFIPXVFZSA-N 437.456 0.497 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)cc1 1838952638 CJFMWPYDHQWRLO-QHCPKHFHSA-N 440.500 0.641 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186240 HYUDJGPZQCRQOI-QFIPXVFZSA-N 449.479 0.359 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1839228445 DOQDEODGPBUNJX-YVHKJVDXSA-N 447.536 0.772 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1839420614 UAAHTJPWDGUNCA-LJQANCHMSA-N 435.481 0.394 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497200 ZBVKKRKVKZMNIA-VGSWGCGISA-N 426.473 0.443 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(N)=O)CCO3)c1 1839861432 XONAAYFDKDHGSI-JOCHJYFZSA-N 428.489 0.213 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1839870120 TZKNJVVMHKNOLN-DJPJLMHDSA-N 447.513 0.080 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839889481 WTENQEXAXYTDEE-MAUKXSAKSA-N 427.452 0.582 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840168260 DZKJGKPANDVAEE-UPWIVDSGSA-N 443.500 0.712 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840346721 LNOOXUOQVIGQRA-XXBNENTESA-N 448.564 0.920 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840483663 ZATVXSJIGHIOEO-OAQYLSRUSA-N 425.445 0.178 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3Cc4ccccc4C3)CCO2)C1 1840941687 AZSBMGUPNGOMEK-KOSHJBKYSA-N 426.513 0.896 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NCc1ccccc1 24072131 SFURTDWACHHRTG-AWEZNQCLSA-N 444.469 0.794 30 20 ICED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 105947688 PVXCXCORVQKWHI-ZACQAIPSSA-N 435.550 0.857 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426367117 VCRCOFPXAWCVHO-ZQIUZPCESA-N 429.477 0.415 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 429625325 NICLDSFRBPWTFA-UHFFFAOYSA-N 425.902 1.351 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 437037646 CHCYKYQYAPITGQ-YJBOKZPZSA-N 437.518 0.743 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441952653 DBMSVIWAGOZXHU-FQEVSTJZSA-N 431.424 1.030 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@@H](C)O1 445526886 CPPGFUHQWKLJFQ-BETUJISGSA-N 428.461 0.948 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 463067840 FUXNEXSFRFHWPT-HUUCEWRRSA-N 444.506 0.666 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)[C@H]3CCCO3)nnc12 468651213 BCWKSSLRDOIDEV-GDBMZVCRSA-N 429.502 0.978 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)c2ccccc21 471995361 LKBQEGVPKAXKES-UHFFFAOYSA-N 437.525 0.880 30 20 ICED CSc1nc(O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 476900172 FTYGEJMVGQQHLU-UHFFFAOYSA-N 447.498 0.754 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc(OC)n3)c2=O)cn1 479400675 RTQDRBVBSVMLCS-UHFFFAOYSA-N 449.492 0.488 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc(CO)nn4)C3)n2)c(F)c1 479612066 OKOLLCYSUIGDDA-HNNXBMFYSA-N 438.423 0.769 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 492379595 XNKNLYHVOPIJPP-KRWDZBQOSA-N 449.533 0.959 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](S(C)(=O)=O)C3)nnc12 504192690 ZPNXSCCKMSMQLV-CYBMUJFWSA-N 447.542 0.968 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 507503447 HHHSAUPOUZFOBW-UHFFFAOYSA-N 425.474 0.457 30 20 ICED N#Cc1ccc(OC2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 512823942 NQEVHKXUMHCFAA-CQSZACIVSA-N 438.481 0.553 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@]12C(=O)Nc1ccccc12 513973895 FOAFDDNXWNANDU-RBZFPXEDSA-N 425.470 0.618 30 20 ICED Cn1cnc2c1c(=O)n(CCCN1C[C@@H](C#N)[C@]3(C1)C(=O)Nc1ccccc13)c(=O)n2C 513979362 BNAHJVOQLOAZQG-PEBXRYMYSA-N 433.472 0.169 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 516292534 VWMGZKHMPPYPPR-UHFFFAOYSA-N 447.543 0.988 30 20 ICED Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 530566120 YUNNDCSMOXWJPP-UHFFFAOYSA-N 430.446 0.780 30 20 ICED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 536197817 MCJFIVSFZUGYKW-UHFFFAOYSA-N 432.506 0.986 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1OC 562157044 MCSCUAXRYHLUBZ-OAQYLSRUSA-N 429.477 1.401 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 568429138 CZMHUHARRWIWKA-QUCCMNQESA-N 442.564 0.855 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n[nH]1 572877205 PNGQFAJAPDQMIP-LJQANCHMSA-N 449.515 0.592 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 576987530 HTQCMTUXAQXIOQ-UHFFFAOYSA-N 427.486 0.653 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 581286671 RFTQXTYUOSFSJS-QGZVFWFLSA-N 435.554 0.446 30 20 ICED N#Cc1ncn(CCNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 583709868 VOKVJGDOXUQVQI-UHFFFAOYSA-N 448.505 0.576 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 584245852 TXXWEKGEWGVFBZ-FQEVSTJZSA-N 429.565 0.414 30 20 ICED C[C@@H]1CC[C@@H](N(CCO)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 589261299 MTKDOCHHDSKVQK-IEBWSBKVSA-N 434.562 0.874 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 590897602 FONDLCTWKSQMOJ-CYBMUJFWSA-N 428.470 0.658 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C(C2CC2)C2CC2)c1=O 609703698 CBWARVNFHFQZBE-UHFFFAOYSA-N 439.541 0.366 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(=O)N(C)C 611114818 IBEIAMTZRTXZCI-UHFFFAOYSA-N 434.468 0.305 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CC(NS(C)(=O)=O)C2)c(C#N)cn1CCOC 619796566 JCZABCFDYCMASC-UHFFFAOYSA-N 427.483 0.385 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 728531844 SMVYLRMROIKNGW-OAQYLSRUSA-N 437.544 0.745 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 729257283 ZXHCCTFKRONIAQ-MRXNPFEDSA-N 432.546 0.295 30 20 ICED COCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 742637571 FJKJGRGYQAZYFJ-UONOGXRCSA-N 443.547 0.166 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 743891830 QFLYIYQBNWJSLM-UHFFFAOYSA-N 430.480 0.789 30 20 ICED C[C@@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 749325879 FVLXLLPUULXDFW-SNVBAGLBSA-N 437.503 0.913 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 754926750 DCNSINLFIAREJR-UHFFFAOYSA-N 446.533 0.328 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCOC[C@@H]2C#N)c1 756951947 HXIVIJOULJBCDS-NSHDSACASA-N 432.296 0.738 30 20 ICED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766982309 OEYHSGSQVGSGSW-AWEZNQCLSA-N 429.520 0.966 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769211885 GJQFXZZRPRHPSK-UHFFFAOYSA-N 444.469 0.720 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CCOC 769636772 IXUVEVQBBWJVRO-UHFFFAOYSA-N 429.546 0.392 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772278730 NFFQDQXZCSUUBU-OAHLLOKOSA-N 445.541 0.527 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1=O 778585162 TUYYLZXRHBJEMA-HZPDHXFCSA-N 435.525 0.736 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250751 YHKYIWYYBATBDH-UHFFFAOYSA-N 446.510 0.559 30 20 ICED C#CCN(C(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2)[C@H]1CCS(=O)(=O)C1 783478570 FOBFMIJVWKYANI-INIZCTEOSA-N 426.498 0.948 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cncn4)nc3)C2=O)cc1 787258006 ORLCGMVRRQKIDV-GOSISDBHSA-N 444.455 0.462 30 20 ICED C[C@@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCCCC1 789108751 GRYASGZLZOQHAK-KUHUBIRLSA-N 434.493 0.876 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CCOC 790419490 BRFXFAMDLJXKTR-UHFFFAOYSA-N 441.962 0.927 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)CC1 792906133 LYNYQYCNLYWRBM-GOSISDBHSA-N 430.553 0.791 30 20 ICED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2CCF)cc1 797815535 UINBKEHEKSGQDU-SYLQMPFCSA-N 428.511 0.772 30 20 ICED COc1ccc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(C)C 798739846 CVQODKDKHLLCSD-NSHDSACASA-N 436.450 0.152 30 20 ICED C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H]1CCCO1 800942919 LOLZKRJTQZBOOK-MSOLQXFVSA-N 437.493 0.589 30 20 ICED C=CCSCCNC(=O)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 803209618 VSCWYHPTKWSUKA-UHFFFAOYSA-N 442.343 0.063 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCCO1 809309922 PSBCWFWNABPQTF-RYUDHWBXSA-N 431.440 0.893 30 20 ICED C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccccc1 817228513 VOFKWBBWMDCMLM-VCBZYWHSSA-N 445.497 0.834 30 20 ICED C[C@H](OC(=O)CSCC#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 915387866 QNPLALQVRKQREK-ZDUSSCGKSA-N 427.504 0.834 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 916420530 NXZIMDLCPANOGQ-HNNXBMFYSA-N 445.453 0.336 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1OC 916924524 VHKWFVVTVFRHEJ-OYHNWAKOSA-N 442.472 0.792 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917781781 UWDWQVCKEYPOAE-UHFFFAOYSA-N 447.520 0.749 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 919009396 CQROFSQHKDJCBF-QFIPXVFZSA-N 442.472 0.917 30 20 ICED C[C@H](OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1)C(=O)N(C)CCC#N 920653900 XCFHVUMFXXUYHX-FZMZJTMJSA-N 426.267 0.844 30 20 ICED CC(=O)NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 921165537 SPQCCTPYDGZUDK-QJOMJCCJSA-N 437.522 0.470 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1318350100 ADQKPJIBYVJJQZ-GOSISDBHSA-N 431.518 0.085 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCOC1 1319401440 YZVBNYHZGZTRSB-CVEARBPZSA-N 444.557 0.907 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCOC1 1319401443 YZVBNYHZGZTRSB-JKSUJKDBSA-N 444.557 0.907 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1324394090 FFMOQQKSXNQKRH-QGZVFWFLSA-N 447.517 0.551 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)ccc1F 1324407824 GTGXVAQERNZNQW-UHFFFAOYSA-N 446.504 0.173 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)CC2=O)cc1 1325053206 XMWUHALLVLTERP-PKOBYXMFSA-N 446.529 0.564 30 20 ICED CC(=O)N[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1453847249 ZBTUMGHMZAJULG-HNNXBMFYSA-N 448.277 0.967 30 20 ICED CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1505102069 LZBQXJBCJLDRGA-QGZVFWFLSA-N 431.518 0.982 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1Cc2ccccc2O1 1510220980 NZPNZAVESWVCHV-NUEKZKHPSA-N 432.506 0.621 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCOCC1 1510222801 QLSHJWIJCXHPEC-GDBMZVCRSA-N 426.543 0.824 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)c1 1519512698 SRBAESXLRYSYBN-HZPDHXFCSA-N 433.490 0.493 30 20 ICED Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c(C)c1C 1611708059 IUKNWHFIBBETFQ-UHFFFAOYSA-N 445.545 0.998 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1705971665 ZUYNDASGMOLQOW-PBHICJAKSA-N 437.570 0.887 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COc2ccccc21 1706889769 IPBXLLQWOQOVQT-SOUVJXGZSA-N 432.506 0.793 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712455497 ZDAIXDIOFRZHHG-OAHLLOKOSA-N 436.542 0.327 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1751004121 RWJLLIYWGAGWOW-QGZVFWFLSA-N 429.506 0.873 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1778844380 GENCBEHFUIQTAD-QFIPXVFZSA-N 437.504 0.654 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1778881848 AYCBPTUMVLQCAG-VFNWGFHPSA-N 426.477 0.630 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779102017 AMLCMPKYLFDSRB-IANVCVOOSA-N 442.476 0.702 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(=O)[nH]c1C 1779102445 YJKSLCVILJUMOD-CUKRGZBSSA-N 447.492 0.359 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1779105419 UOFLEBVVXSJCIC-QVJBMNGWSA-N 439.900 0.895 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1)C(F)(F)F 1779126343 OKYYUINATAHUDK-KRWDZBQOSA-N 430.383 0.661 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c(C#N)c1 1781171281 OUXDGCVDGVMOLR-QFIPXVFZSA-N 442.472 0.391 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781790283 OQVFWARGYRHSIB-LAUBAEHRSA-N 430.461 0.261 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1782763775 BXVDZGJXYQLPJZ-VFNWGFHPSA-N 426.452 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1783819621 DWYUIMHVWYPNSX-ADHGMGHFSA-N 437.537 0.918 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1783890413 YNFRGMBMADXHQS-WYSJICDVSA-N 435.546 0.314 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1784482960 WPGGOMMPDDDYFJ-UGTAXJHQSA-N 425.529 0.719 30 20 ICED O=C(CNC(=O)C(F)(F)F)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784892174 ULMFYQSGKVYBDK-CIUDSAMLSA-N 437.312 0.545 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785329436 URCGSZQEWFCMLY-JPYJTQIMSA-N 427.501 0.675 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1785383120 KLLJOTKGFXCAKR-WIYYLYMNSA-N 447.513 0.344 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785646809 KXHWYVPCLQAYGJ-GEYUMRBSSA-N 427.461 0.791 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1785730009 XREMLGMPANYNOJ-ZHRRBRCNSA-N 448.520 0.756 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c([N+](=O)[O-])c1 1791078212 OXRNCUPWRKHTEZ-ZVZYQTTQSA-N 445.428 0.214 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnc3C)[C@H]2C1 1791701342 ZMCRCMMCPOTDPT-FRJKIUFFSA-N 429.521 0.591 30 20 ICED CCOC(=O)c1c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c[nH]c1C 1793127348 LZMXHRDVFJLOLM-VPTLXERWSA-N 445.472 0.110 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 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20 ICED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#Cc2ccccc2)cc1 1799613594 NHRSBBIIHXQNND-BJESRGMDSA-N 432.524 0.576 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c1 1799801220 OHIGPEVFMXHMTG-OPVJXMOQSA-N 426.473 0.912 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800950071 DEUCKPXPXMOIJY-RHQZKXFESA-N 446.548 0.613 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1803566956 PSSRGMKXKDZOEI-KAGYGMCKSA-N 429.565 0.926 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804130236 DQHCMNKBCBHCFJ-QOIOWGMHSA-N 430.461 0.640 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)S)[C@@H]1c1cccnc1 1810343848 VOJOXTBPFNSLNA-PBZHRCKQSA-N 437.518 0.901 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811446226 ZFIOZNJZDIFCSR-ZEUIOTOJSA-N 436.472 0.343 30 20 ICED COc1ccnc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1OC 1811651004 UZAYOLBCPQYLFA-QRWLVFNGSA-N 438.440 0.901 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@](C)(O)CC(=O)O)[nH]n1 1814439574 PXKJIBVYQQPACJ-KFOCPZAJSA-N 447.492 0.876 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c1 1815067214 VPAHEAFYRNEACE-FZMZJTMJSA-N 444.492 0.972 30 20 ICED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)sc2C1 1822725412 TUZXIFQTDHZQRU-MBNYWOFBSA-N 434.518 0.916 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H](NC)C(=O)O)CC2 1822922643 XVDLHVNUNRKCAK-AAEUAGOBSA-N 438.506 0.627 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829228283 XTUBZQKOSXHQOW-QFIPXVFZSA-N 429.473 0.081 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1830464501 HOIZPLWUQYSORZ-REWPJTCUSA-N 427.501 0.984 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3cccc(Cl)c3)C2)C1 1831392390 DCAFOGBZLDJGLV-PERKRYKHSA-N 449.935 0.835 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831421729 PXANVZLRFZGCIT-YWZLYKJASA-N 438.456 0.444 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831435353 QMIKZCTUTZEJBF-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831492127 IWOLMHPHMPLAMM-WMLDXEAASA-N 427.483 0.342 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832659828 GQUYGPCNGZZRDX-OAQYLSRUSA-N 432.477 0.201 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1833824385 KTWBNCSZXKKEGA-XZEIMLRBSA-N 446.508 0.154 30 20 ICED CN1CCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)CC#N)CC4)CC3)cc2C1 1834400669 QJFWYNAYTIVSRX-UHFFFAOYSA-N 427.553 0.817 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cn1 1834530533 FYTZMEXGDWBGSL-YWZLYKJASA-N 435.481 0.356 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834703924 LZLDGDIYLFGSKH-QHCPKHFHSA-N 442.516 0.608 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706355 XLWOFYMVQUZRKJ-INIZCTEOSA-N 435.573 0.199 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715132 CHKQMOXJHSEJHX-QGZVFWFLSA-N 448.612 0.707 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(-n5cnnc5)cc4)C3)C2)CC1 1835342502 DWEZYRNSPZNSCR-QFIPXVFZSA-N 436.472 0.641 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1835354743 ZELRFZQTQCAXTG-LJQANCHMSA-N 430.490 0.647 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672734 KFGRLEZOJDDZAA-XMSQKQJNSA-N 446.552 0.257 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835761984 ZFCCUSSJXARGGS-KKSFZXQISA-N 425.526 0.498 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1836152676 XXAKKLGTGJVJMO-IERDGZPVSA-N 439.476 0.070 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CCO2 1836805870 MLDCKCSABOHMTA-OAQYLSRUSA-N 429.404 0.465 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4nncn4c2)CCO3)c1 1837018824 GQRXHEADIAUPMU-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837432789 OCTAOLMEOTYMJX-FQEVSTJZSA-N 438.601 0.162 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837490903 SPROZNNXUZHWRQ-QHCPKHFHSA-N 440.500 0.655 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837564472 QRTVONYUQJSXAY-UYYUJSNXSA-N 447.879 0.912 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(C(F)(F)F)c1)CCO2 1838184711 XMNSEJXBAYAWFN-SFHVURJKSA-N 441.362 0.258 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838275579 DOJQJAJVBQSTNO-XMSQKQJNSA-N 434.537 0.626 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CC(=O)N5)C3)C2)c1 1838737478 UKLYODUNTCQOCC-HSZRJFAPSA-N 449.467 0.765 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1839174365 XMFPHMOVRJPESE-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2)C(=O)O 1839189695 ZLVKTWUOLUAPAP-YDBYVANFSA-N 445.447 0.727 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350830 BPKSBHSBTRRWNV-MBSDFSHPSA-N 445.516 0.429 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)c1 1839421416 ODIAMRXANBRYFG-OAQYLSRUSA-N 425.420 0.871 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839582576 GPSBFHHDEMJHDS-MBSDFSHPSA-N 446.548 0.552 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839652687 RABOCJZQHRVNTE-OAQYLSRUSA-N 440.610 0.919 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839840471 CBSUDJKFTRULCY-XLIONFOSSA-N 443.566 0.081 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840007539 IHEPRYSKPRLZHY-ZHRRBRCNSA-N 448.520 0.613 30 20 ICED COc1ccc([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840039996 LJCUIRRHGDQEEM-AOMKIAJQSA-N 430.457 0.343 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)C2)C1 1840042549 AJWIIQPUGCBDCD-NRFANRHFSA-N 447.394 0.604 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)nc2s1 1840158445 LTAOHEZTRNGRFL-KZULUSFZSA-N 439.563 0.416 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840160421 GVQWGJIQRXBBOF-SZNDQCEHSA-N 446.529 0.322 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1840820574 XMEIHQQRRXFDJR-UGKGYDQZSA-N 429.473 0.572 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 31596579 WNCBOIPZVYQXFQ-UHFFFAOYSA-N 442.563 0.813 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 32705182 BIIWKPDUONJIFV-UHFFFAOYSA-N 441.469 0.640 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(CC(=O)NCC)CC2)ccc1F 109120118 WETFFJYUTLOCDW-UHFFFAOYSA-N 426.514 0.574 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1CC 429802926 LJMFWTFTQQIMMS-UHFFFAOYSA-N 435.509 0.929 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)OCC(=O)N2 429878571 SUBFTULHUYGXBK-UHFFFAOYSA-N 446.489 0.451 30 20 ICED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 439337289 RIGPKNTZPFEZHK-AWEZNQCLSA-N 437.522 0.473 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(COC)cc3)c(=O)n2C)CC1 461359675 CDVWVBSHLRKNHG-UHFFFAOYSA-N 426.542 0.260 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1C 462434477 FCTXXYSSRASISE-UHFFFAOYSA-N 442.360 0.927 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 470824632 POSFPLDJZNJJCR-MRXNPFEDSA-N 441.469 0.466 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(OCC(=O)O)c(F)c3)CC2)c1C#N 472341791 AGCGSOYUTYMRIJ-UHFFFAOYSA-N 437.453 0.714 30 20 ICED CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 478135921 PSABNLUZZCZDPS-CVEARBPZSA-N 440.460 0.955 30 20 ICED N#Cc1ccccc1OC1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 479168116 QQYBIEZHHODBBR-UHFFFAOYSA-N 438.492 0.789 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CC)CC1 489175129 BPSQRCNLHYLCQA-UHFFFAOYSA-N 426.542 0.605 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1F 498221564 ZOUQCKHZRWSYNM-UHFFFAOYSA-N 446.464 0.288 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 506959639 DVBCVQLPKLJLMI-UHFFFAOYSA-N 447.517 0.604 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 508029969 ZTHALRYIFMUFKT-UHFFFAOYSA-N 433.512 0.921 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 508116198 BKFBHWPYZLAOAM-AZUAARDMSA-N 439.516 0.351 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 510693537 BENSDHDEBLSQKF-CQSZACIVSA-N 430.552 0.896 30 20 ICED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 531257108 ZPUXBFYDQXKUOY-LJQANCHMSA-N 443.529 0.508 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 536610469 PZVQRZWFMRZVMB-SFHVURJKSA-N 448.545 0.980 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)CC2(C#N)CCCC2)c1 546069862 ZZJFLLBFASBBEX-CYBMUJFWSA-N 428.536 0.925 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 551698064 KOLUHFYXVLAELA-UHFFFAOYSA-N 443.485 0.375 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCCCC3=O)C2=O)cc1 553619519 XZYWGJIDIPIJHZ-SFHVURJKSA-N 425.489 0.689 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 556421693 ZKTYLWJHUBFWSF-QFBILLFUSA-N 431.518 0.631 30 20 ICED COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 556565942 IVQRCMQKHFTMTF-HXUWFJFHSA-N 447.499 1.564 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(N3CC[C@H](NC(=O)NC)C3)c([N+](=O)[O-])cc2C#N)C1 557653032 NZHDVSSEUAJVJB-KBPBESRZSA-N 430.469 0.482 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)CC1 557704850 KQVMCSGVEDOLSV-JKSUJKDBSA-N 425.580 0.457 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCS1(=O)=O 562141956 BQMILCOCCPRALJ-UHFFFAOYSA-N 430.490 0.893 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1OC 562177590 ZCCMZFZWUULXAH-QGZVFWFLSA-N 445.497 0.993 30 20 ICED Cc1cc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)ccc1Cl 562933288 DSOFKGHKVUQCOM-CQSZACIVSA-N 441.897 0.494 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2CC)CC1 603994109 OIOKXGMLMYOWNF-UHFFFAOYSA-N 438.553 0.532 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270323 VXTYTYAXNFWOGP-UHFFFAOYSA-N 432.933 0.679 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 605254469 NPSUZRNCVVXLGL-UHFFFAOYSA-N 435.484 0.989 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)c(F)c(F)c3)c(=O)n2C)CC1 609074468 BUFDXKSJDXHQMU-UHFFFAOYSA-N 436.459 0.531 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610697799 GXJZBODKHCJMHK-LBPRGKRZSA-N 433.469 0.555 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ccncc4)c3)C2=O)cc1 617091888 OUXSGQARPJQLQI-LJQANCHMSA-N 429.440 0.995 30 20 ICED COCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402261 DOPMEFQTGHLPIV-ZJYNUGOYSA-N 440.547 0.449 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 728105704 MYDBKMPJXVWVKU-SNVBAGLBSA-N 426.451 0.574 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 733147445 OBTNBUHSGSOXEK-LTGZKZEYSA-N 431.496 0.746 30 20 ICED C#CCNC(=O)C1CCN(Cn2c(=O)c3c(C)c(CCC(=O)OC)c(C)nc3n2C)CC1 734243563 IDIHWEUBMRAKES-UHFFFAOYSA-N 441.532 0.876 30 20 ICED N#Cc1ccc([C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(N)=O)cc1 734564133 XTDZAEXKJQFKQS-GOSISDBHSA-N 429.454 0.963 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 742142703 QJUDGLOIHKCBEB-HNNXBMFYSA-N 444.517 0.551 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1CCOC 761837317 VLNVNKTXYWBGKW-UHFFFAOYSA-N 448.570 0.546 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1Cc1ccon1 765146064 VQENGHPBDYMQQI-UHFFFAOYSA-N 436.497 0.190 30 20 ICED CCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 765582986 DIDNVQIESUKYEJ-UHFFFAOYSA-N 425.423 0.093 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(F)(F)CO)c1 768335286 DCDGNXMCTZMWPK-HAHDFKILSA-N 446.476 0.962 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)ccc1O 771890407 QELFMXJWVLCVED-UHFFFAOYSA-N 431.268 0.255 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)[C@@H]1CCCO1 773806971 WIJKZAJZQFTOJS-LPHOPBHVSA-N 428.489 0.318 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1F 775821047 WDUIOBAJPBNHJS-KBXCAEBGSA-N 446.522 0.756 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 778793030 RIHHQUHPSAVPKA-INIZCTEOSA-N 431.474 0.617 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c(=O)n(C)c1=O 781126586 BDOLWTGHZCKFTI-SJORKVTESA-N 445.545 0.650 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 786911387 DVIBXBVAABYCKY-UHFFFAOYSA-N 435.531 0.714 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 791052236 UOWQOSNJZJGVSM-UXHICEINSA-N 447.561 0.270 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794612126 FEDXCSQHKDEVOS-INIZCTEOSA-N 444.557 0.795 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 799841069 PSTZCSLAKWHBIS-UHFFFAOYSA-N 438.412 0.900 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)C1 811041741 HCCAMCHTXORSCI-OCCSQVGLSA-N 426.470 0.979 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 916711975 VNGHLPJGCSQUPP-HMMYKYKNSA-N 431.540 0.560 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 918969282 DRTXAQYBTXMXDN-UHFFFAOYSA-N 438.483 0.838 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1116037495 VHMWKZWNWGQLJP-CZIZESTLSA-N 432.502 0.173 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1494478030 INTIVIGHLVFVOC-GASCZTMLSA-N 434.522 0.892 30 20 ICED CS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505152416 JLHOQDWMZBRWEQ-LJQANCHMSA-N 443.577 0.789 30 20 ICED CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1516356426 ULNTTYRLILPQLR-HIFRSBDPSA-N 435.510 0.459 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541703806 ZLYYHIGJRKYJPO-OAHLLOKOSA-N 425.493 0.920 30 20 ICED N#Cc1cn(CC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)c(=O)nc1O 1637527845 RNWWEKUVQPZYHT-LLVKDONJSA-N 439.241 0.690 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 1679945130 UIZDJEIJGVNSAW-HOCLYGCPSA-N 441.554 0.955 30 20 ICED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1696475626 UGYIVKWNDZSTMI-ZDUSSCGKSA-N 432.572 0.453 30 20 ICED CS(=O)(=O)CCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698305052 MKVCDSUOVYRKGN-SFHVURJKSA-N 429.550 0.875 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1741082314 RPGSHWYZKLCHKJ-KRWDZBQOSA-N 425.493 0.922 30 20 ICED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1760810915 TWPTZYXLQMMDDF-RBSFLKMASA-N 426.543 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778780812 KPSKKIRVWYRILR-NRFANRHFSA-N 427.461 0.911 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CCc5nc(N)n[nH]5)C4)C3)c2c1 1778854903 YCVOOOCMDDURIN-NRFANRHFSA-N 449.475 0.211 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1778999924 NQIBGRHEWRJTOU-UWJYYQICSA-N 436.629 0.460 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779073216 MYNNFDHOAGFMGT-UGKGYDQZSA-N 443.456 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1779260460 JVXNXCKIURUHGR-JUOHCQIYSA-N 428.489 0.098 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979201 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N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1781963092 AYPZSXPORVUJEY-LXHZQTKUSA-N 426.448 0.976 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)CCO3)C2 1782015334 HSAHAPAEYRAVTQ-AUSIDOKSSA-N 426.469 0.766 30 20 ICED C=C[C@H](O)C(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 1788573769 KVMBXSGNWPNZKS-HLXURNFRSA-N 447.576 0.940 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)c1ccc(O)cc1 1789918296 CWRDLOMHZLBJEM-WAGURGNTSA-N 444.528 0.878 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955250 LRHJVYIJBMEPFU-XAJHFOFHSA-N 425.530 0.475 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790369865 HGDOWXRAFXMNOT-DKIMLUQUSA-N 432.521 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)cc(OC)c1)C2 1792489698 JDWKGJDCJRSLBU-GWUNTCDZSA-N 443.500 0.765 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H](NC)C(=O)O)C3)c(O)n1 1794490013 MWJJCYZTFYIHMQ-QOIYZWAUSA-N 446.504 0.172 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cccc1=O 1794588974 GGLXBSABEBXUHU-YVWYUNDQSA-N 446.467 0.650 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(=O)c1ccccc1 1795055958 RLJMTVWVMXWBRL-QRGLFUDGSA-N 429.473 0.988 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 1795598088 DGZVNNKWQMCBGJ-HNJRGHQBSA-N 426.517 0.862 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)N1C[C@H]2C[C@H]2C1 1797634152 HEKOOGZGEMGAOE-CAWNFDQDSA-N 434.537 0.445 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797775780 JZAHKCOMIGVTNW-DLWUMMNFSA-N 446.508 0.396 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1797818541 PYAXWQOTLKNZTE-LQGWMBBRSA-N 432.477 0.448 30 20 ICED 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N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNC(=N)N)[C@H]3c3cccnc3)c2c1 1807061207 MHYJKOYYBUDTCE-FOIQADDNSA-N 445.487 0.632 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807145009 FPQDSEDWGYXDGY-AEFFLSMTSA-N 425.497 0.056 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1810097163 GXSLGGDXDVBSCO-HHXXYDBFSA-N 440.460 0.665 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2c(O)cc(O)cc2O)[C@@H]1c1cccnc1 1812880679 SGQIKOLVGGEFKZ-ZUOKHONESA-N 425.397 0.606 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)c(=O)nc1O 1814036054 XMCRCGZFFZKZQV-WMZOPIPTSA-N 438.488 0.908 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2)C(=O)O 1815076274 IGUKTSYRQBTNGW-WCQYABFASA-N 436.538 0.400 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712551 OTJAHOKPYQGZTM-CVEARBPZSA-N 445.589 0.873 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)C1 1829662954 AYKCEHFDNVNFST-QFIPXVFZSA-N 430.505 0.557 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829798832 MJWMOIMGTJLGOG-NRFANRHFSA-N 449.529 0.950 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)COC1 1830038292 LGKNEFKXPKRBEK-JOCHJYFZSA-N 429.473 0.430 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(C)n1)CCO2 1830912930 OTERLZJOKWWRJW-YLNCNTMDSA-N 442.516 0.247 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1830953832 YGPWGXOPMHSZQY-HPARJBSBSA-N 443.504 0.440 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831212681 BNIZFCLWGJXLGS-QHCPKHFHSA-N 426.469 0.828 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1831413146 NXOYXGBGCNGTNQ-NRFANRHFSA-N 438.521 0.769 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1832452992 NJPJFIVDLDAOES-IBGZPJMESA-N 425.507 0.810 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762467 BYQSDKRVIQINRR-RBUKOAKNSA-N 445.564 0.925 30 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30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838070513 BTXKQVLXSKCLNJ-NRFANRHFSA-N 425.445 0.565 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1838356004 YFWCKFMFJNXJEX-QFIPXVFZSA-N 429.473 0.343 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CCO2 1838692356 NZIDPCCBLRFJBN-JOCHJYFZSA-N 438.440 0.235 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nc5ncccc45)C3)C2)c1 1838736362 ZTBNQJWXERHBCR-NRFANRHFSA-N 435.444 0.541 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(C)c(C)c1Br)CCO2 1838770547 MGTGJAJFPALGRW-QGZVFWFLSA-N 425.283 0.194 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839029294 BYEXFXLJPIQJKR-NRFANRHFSA-N 432.452 0.914 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1839224925 SCJBSZDNBBLCDG-IFXJQAMLSA-N 439.538 0.905 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cnnn1 1839363946 FGJCPFULFQKFQX-IERDGZPVSA-N 439.476 0.070 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839808440 RJSMIQJZDCQJMC-YADHBBJMSA-N 435.521 0.723 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)C2)C1 1839810632 JWAAZEQGEKBPMK-VGSWGCGISA-N 429.473 0.391 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839845149 FPHGUSVNDLRGJC-NBCNXNJRSA-N 447.536 0.126 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839888137 AESQHTWVJMPEEU-KRWDZBQOSA-N 443.407 0.459 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908913 GPVQDSMFGWLFHI-QHCPKHFHSA-N 446.500 0.901 30 20 ICED Cc1ccc(OCCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840039818 AVHXRDNRIFGDPM-QFIPXVFZSA-N 430.457 0.308 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1840042746 MXRYDQVZAYFXRH-QHCPKHFHSA-N 442.468 0.099 30 20 ICED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840130764 UURNJLGUMKTURD-JPYJTQIMSA-N 434.533 0.757 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378792 GPURRVYLOGJAIY-WMLDXEAASA-N 429.568 0.308 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCc3cccnc3)CCO2)C1 1840510296 VAPAINYBOYRBPJ-XXBNENTESA-N 429.517 0.899 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c(O)n1 1840569322 SSISQYPGODTGCN-HSZRJFAPSA-N 444.532 0.537 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCSC3)CCO2)C1 1840862763 IPKLDYBMYCNZBH-UTKZUKDTSA-N 438.594 0.868 30 20 ICED O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540455 ISZQPLGQCIABAS-UHFFFAOYSA-N 434.500 0.796 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1841583690 JQSKKSNJIVUSMR-OAHLLOKOSA-N 434.518 0.468 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1844726073 RGQMUBLRIWOQMI-UHFFFAOYSA-N 446.529 0.809 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1847802616 GNDXJFHEDBJSCR-ATIWLJMLSA-N 435.521 0.597 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1(C#N)CCCCC1 18393173 PZVDHLRWFWLEHF-UHFFFAOYSA-N 438.506 0.545 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1C 437332587 NKJGTAWZUWYZMA-INIZCTEOSA-N 430.490 0.579 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 440336959 XSSQAWQYIWBQMX-LBPRGKRZSA-N 433.465 1.246 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC(C)C)CC1 440384897 NVHPNPRTHAUTFS-UHFFFAOYSA-N 439.541 0.698 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@@H]1CCOC1 441961904 RJVUMPZSZMVLSH-KRWDZBQOSA-N 441.553 0.829 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 444570986 LYMTXYGSBMDOIR-HNNXBMFYSA-N 441.467 0.706 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@](C)(O)C(=O)OC)nnc12 460102092 ICIHHMMVGPEUQL-LJQANCHMSA-N 431.474 0.363 30 20 ICED Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460583245 FQHQHKMTRPOOMC-KRWDZBQOSA-N 434.456 1.250 30 20 ICED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 465480737 XIFHJAIALFSZLA-OXQOHEQNSA-N 434.500 0.985 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1C#N 472201443 PAGBHBGYYIQEFV-UHFFFAOYSA-N 448.461 0.791 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C(C)C)c2=O)cn1 478847202 BSBYHVGFMRSGGA-UHFFFAOYSA-N 437.529 0.674 30 20 ICED C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCS(=O)(=O)C1 482596202 FOHJASARURROLH-CQSZACIVSA-N 444.535 0.310 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)OCO2 487852497 YVVSEIWSKZVLJF-UHFFFAOYSA-N 437.412 0.756 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 502320222 SCLJQIRTDSVCEE-UHFFFAOYSA-N 431.496 0.300 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 506628188 ZVFUTGHQRAFZEO-CYBMUJFWSA-N 443.485 0.340 30 20 ICED Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 544936301 HVOOCFDZQPYLIK-UHFFFAOYSA-N 426.451 0.838 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 553266936 AGHAXVBEUSCHNS-MSOLQXFVSA-N 441.488 0.859 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 564460705 HDOOPSMGPKMKIP-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2)c1 568970072 CMPSIPVPGTWDOS-LJQANCHMSA-N 447.499 0.304 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)ncn1 569135979 QLYLERJRWKYKPA-IBGZPJMESA-N 448.531 0.739 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 569230144 PFTYPCPQUDMXBZ-UHFFFAOYSA-N 439.560 0.487 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(F)(F)F)O1 588868246 BEJGXUMIKBLUMG-DAXOMENPSA-N 438.406 0.954 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 603795391 NPSALPDYEWCQKI-UHFFFAOYSA-N 428.514 0.093 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 604168843 JKZQRHGQMUMFLO-GOSISDBHSA-N 434.456 0.142 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828350 QTDWCNGXFWOOIW-UHFFFAOYSA-N 431.477 0.198 30 20 ICED CC1CCN(C[C@@H](O)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609710335 AKJYYTUUSBAUBH-RBUKOAKNSA-N 427.505 0.972 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)n1 675630196 DRRFQQFIXRMBBQ-UHFFFAOYSA-N 428.514 0.520 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCCN(C)S(C)(=O)=O)C1=O 726112590 GFCWLJLILPKBHJ-GALDBLJUSA-N 441.579 0.342 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(CN2CCOCC2)cc1 741341123 PLKXQETZOXJMMK-DQRAZIAOSA-N 442.472 0.917 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742555304 YOQSOGVXJWDMAF-OAHLLOKOSA-N 441.513 0.883 30 20 ICED CCc1nc(CN2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 742650811 WQEDRXWDCJNDLU-CQSZACIVSA-N 446.533 0.794 30 20 ICED Cc1nnc(S)n1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 743500276 VMNORPZYXYGBOQ-UHFFFAOYSA-N 434.547 0.964 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCc1ccc(C#N)cc1 746558888 BFADDYSQWBBAOK-UHFFFAOYSA-N 446.485 0.391 30 20 ICED CN(C)Cc1ccc(C(N)=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 749792010 UGGUQIXUDXKFNN-UHFFFAOYSA-N 432.569 0.444 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCCO3)c2=O)c1 763464702 CCDBKWJTHZSEAP-KRWDZBQOSA-N 426.542 0.943 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 771239704 DCAMPXWHKMDXAN-AWEZNQCLSA-N 437.435 0.951 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)c(Cl)c3)n(CC(N)=O)c2=O)cn1 773281626 KLUSKGMJTVADEU-UHFFFAOYSA-N 445.863 0.307 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c(C#N)cn(C)c3=O)cc2F)C[C@H](C)O1 776283891 ZUAKCLQDHRKGQC-KBPBESRZSA-N 429.452 0.488 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 783480093 IHEOVNCAZRDPLP-MRXNPFEDSA-N 430.486 0.527 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 786744612 WGSDLZQQJCOIKP-UHFFFAOYSA-N 448.553 0.894 30 20 ICED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787755961 XOPNDKDUGUAAFC-UHFFFAOYSA-N 431.474 0.080 30 20 ICED C#CCn1ccc(CN(CC)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)n1 788824976 HCVGSNIVVUWSIM-UHFFFAOYSA-N 433.534 0.757 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 794581321 KHLVIJDYTICLHL-OAHLLOKOSA-N 443.481 0.963 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 796123505 XBZRBPPGUQTPAB-SFHVURJKSA-N 432.525 0.222 30 20 ICED COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC)CC1 802394741 MPKZBSWWESQKFN-UHFFFAOYSA-N 427.509 0.348 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H]1CCCO1 804105420 RGDSSMOYGGNXNE-JKSUJKDBSA-N 436.306 0.982 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@H]1CCCO1 809313019 RCWXJMRJWILPNJ-TZIWHRDSSA-N 438.528 0.407 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 814251024 BQMSECOEUWNVLF-UHFFFAOYSA-N 441.557 0.948 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 895504261 YDTGRMNUMJRCPM-LBPRGKRZSA-N 443.453 0.404 30 20 ICED N#Cc1cccnc1NCCNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 916641298 RXEFZXKLKOYAGR-UHFFFAOYSA-N 438.517 0.962 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 918332921 ISZPXIOURCEJKI-UHFFFAOYSA-N 433.515 0.941 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)c1 918406740 YQHCTFLKGJMEBD-UHFFFAOYSA-N 433.472 0.177 30 20 ICED CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1296204524 KZVGTFQPMGHCIA-MSOLQXFVSA-N 437.614 0.804 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1299292797 JQXAKVHMEVJOTR-CVEARBPZSA-N 432.506 0.467 30 20 ICED COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1300184528 YZIFJDJEYZIVMI-OAHLLOKOSA-N 427.465 0.703 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1492606005 RXFMCZABYJXOQC-PBHICJAKSA-N 433.538 0.959 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1504538884 XSEGUURLXHOVMM-QFIPXVFZSA-N 440.504 0.700 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1617313928 MVHJSROSFANIBS-MRXNPFEDSA-N 430.490 0.892 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1619567936 QNXKNIYSJVRMEN-GJZGRUSLSA-N 428.559 0.879 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1620355402 JARCHSOLKZPHLA-CHWSQXEVSA-N 440.430 0.084 30 20 ICED Cc1nnc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n1C 1659719947 MKVOZDWYBIUVIP-HXUWFJFHSA-N 440.527 0.794 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1661932199 MFECILBOOFUPPM-UHFFFAOYSA-N 433.527 0.900 30 20 ICED Cn1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)n1 1696862617 SUDPLPLJYIMOGB-HNNXBMFYSA-N 426.506 0.975 30 20 ICED CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1710361116 YINFUZNALUUXIN-UHFFFAOYSA-N 447.521 0.644 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1747194699 MAXDCJCFGAMAJI-WMZOPIPTSA-N 431.541 0.486 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1747544861 PKGZPTCRXCTNLN-JOCHJYFZSA-N 439.520 0.178 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1760374978 ZXMZGBSVRFLNNG-PBHICJAKSA-N 431.946 0.980 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100415 VYKMEXZAXKRXEQ-HROAAPEASA-N 445.538 0.026 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102805 JNQJUVPOBHGMDX-CRPRFYFPSA-N 435.525 0.817 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779225766 DOTMAHTZROSFAD-QRQCRPRQSA-N 448.487 0.806 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779347051 SFLAPGIQRPENPP-JOCHJYFZSA-N 444.536 0.650 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnc1)C2 1779421296 HOSMPFXWECPJNC-YAWNYYQCSA-N 433.509 0.926 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780094709 VJCCUYGKOGWSNS-HXUWFJFHSA-N 429.385 0.061 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)c1 1780335939 RBTHBRJEDNZJQD-HSZRJFAPSA-N 434.500 0.727 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1782184577 YJVWFARNXGGBNV-LPRVAIFDSA-N 435.550 0.427 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782203474 VYFRZSJNUDBSQQ-WWEWDKITSA-N 426.510 0.707 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1782357705 SNOQHSAUCKBJBR-AUSIDOKSSA-N 441.532 0.948 30 20 ICED COc1ccc(CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1 1782994705 UAHIXYDYYDXPEN-JOCHJYFZSA-N 430.457 0.554 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21 1783530281 PJPGRYLIRYHGRY-DNOWCQPISA-N 427.501 0.558 30 20 ICED CCN(CC)[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783564731 FDXVKTZICRUKGY-FYYLOGMGSA-N 427.501 0.987 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1784503542 DAERYFSNBRDHCQ-VJANTYMQSA-N 446.548 0.858 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380673 XQQXDWWZKYSPML-OPAMFIHVSA-N 443.504 0.475 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OCc3ccccc3)C2)C1 1785428762 KGLAQSWKWGJJEA-YDHSSHFGSA-N 441.484 0.222 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785596582 MMHNJNJDTNMVKQ-KBJGYGKASA-N 447.488 0.374 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)n5[nH]cnc5n4)[C@H]3C2)cc1 1786976641 BIWGFVLUSDZOHE-BQFCYCMXSA-N 447.455 0.196 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493635 AANHDYMZWKUWBR-AKCLSAJKSA-N 444.517 0.282 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC34CCCN3CCC4)[C@H]2C1 1789820365 RVZBHFGQRRHYER-YJTGKBQXSA-N 444.576 0.843 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(C)n2)c(O)n1 1794590101 APEHRNOIJHDRKQ-XOIINTDNSA-N 426.477 0.551 30 20 ICED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)c1ccc(F)cc1 1795411435 PPWWSSUPHFTKJZ-NBMJBFSESA-N 428.464 0.896 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C 1796611369 SSRATYHSTGCYON-KYHPRHEASA-N 445.520 0.838 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796869091 VKOFWTIVYZQWGO-NTNQKNOYSA-N 426.473 0.297 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1798398065 UIPHVZMNRAABQJ-IVSAIRAKSA-N 432.477 0.968 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cn2[nH]cnc(=O)c12 1798464759 LHVKHGAKJPOYGD-XOIINTDNSA-N 435.444 0.048 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)c1 1798580255 RTTDLBCPDPXKDQ-HGKCTWBKSA-N 435.502 0.205 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799149006 LUAVPKGJLAFPAQ-YYCWZVFASA-N 434.537 0.778 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799683744 MHPIBLISTBQJGB-KSXIZUIISA-N 442.513 0.220 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]3OCC[C@H]3N(C(=O)OC(C)(C)C)C1)C2 1800454999 YJYLBVHBQOXIPN-ZGRIBIJBSA-N 447.532 0.624 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1801164484 VIPGWNKZFGHELZ-XEMDLRDOSA-N 433.530 0.882 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1803546929 CCLLXMAFXLGZIH-KMFMINBZSA-N 425.445 0.641 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1808596521 JRKLIQSWDJFSNI-YWZLYKJASA-N 436.424 0.671 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225985 YPVJDNLPUZDOOT-JTSKRJEESA-N 446.467 0.914 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812348613 LXERZBFYGSYIAH-WJPUGNRLSA-N 449.467 0.389 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1814218520 NZHUNRWUJLHCRH-JTDSTZFVSA-N 443.504 0.489 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668395 YYDRCMHILDDRSK-GXTWGEPZSA-N 433.469 0.755 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822206027 SYCHMGFECDRBNZ-BBRMVZONSA-N 438.444 0.703 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1829266459 VZUYJXHPKXWBRK-HSZRJFAPSA-N 449.467 0.469 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(N)=O)CCN2C(=O)OCc1ccccc1 1829305457 BFOWHFRKIGMENS-QFIPXVFZSA-N 426.473 0.337 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829856756 USHPECWGKIRUJU-UWDDZFTESA-N 434.493 0.070 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831423979 AJNNOKLKXUMDAO-OPAMFIHVSA-N 432.521 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831424158 DOCKUZVBRPGSLO-VNZMSGEBSA-N 443.544 0.748 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833330560 GZBQZBMHDMRXPP-NRFANRHFSA-N 427.461 0.414 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1 1833465536 IXVJDJNJVLVBCF-KRWDZBQOSA-N 438.532 0.953 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(O)n2)CCO3)cc1 1834187291 XGAVPJMIBFSGOD-QHCPKHFHSA-N 436.468 0.972 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834399557 WXNMTCVRCAPDGI-QFIPXVFZSA-N 441.463 0.744 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2)C(F)(F)F 1835707890 SYMXBQBWMOBUDO-YJBOKZPZSA-N 428.411 0.656 30 20 ICED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767753 PXSQZSLWMAELKK-OMNSNBSWSA-N 437.541 0.175 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836013778 AKWWDVLDPKWMME-LRHHQANISA-N 448.520 0.933 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327389 PHQZKLNSXYTMHF-FAXNTMFHSA-N 431.514 0.797 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1837403145 OETOYLFMRMHZTP-YYDVJCTNSA-N 437.581 0.889 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837637542 VGFZQOROZDCPTF-YAQIIAKESA-N 430.461 0.212 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837861723 IUHVLWRZZZFJBV-MRXNPFEDSA-N 436.557 0.626 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)ncn4)C3)C2)c1 1838738161 UEJPBFPFAUVZBR-LJQANCHMSA-N 430.852 0.714 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839225353 GZYCPZYUOMKBFN-IERDGZPVSA-N 433.509 0.700 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1cccs1 1839235762 MBZCDOUBISUCTA-YADGQWAMSA-N 445.501 0.235 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C(=O)OCC)CC3)CCO2)C1 1839761654 UYSAFPSBDZWSNZ-IIBYNOLFSA-N 438.521 0.359 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1)C(F)(F)F 1839893714 LFEUYINGMAYTKV-QFBILLFUSA-N 448.486 0.197 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840293709 QGFGEVGIWGUHRW-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c(O)n1 1842297156 ATJABGZALKOHDX-UHFFFAOYSA-N 436.472 0.926 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC(N)=O)C2 1847069938 UJTMSYVVOGVDIM-CABCVRRESA-N 435.525 0.553 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)n2)c(F)c1 439359998 ZUNGTDBSCHFOPE-QGZVFWFLSA-N 440.479 1.535 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(C(F)(F)F)c2)c(=O)n1C 448109647 WOJFYAZPMPXGBQ-UHFFFAOYSA-N 429.395 0.870 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 465135576 ZFNXXFMBWJHHRF-CQSZACIVSA-N 431.456 0.657 30 20 ICED C=C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 465340014 GPOZWYPTTZVANZ-HNNXBMFYSA-N 436.534 0.937 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 472043788 QXBFPJMCFQRBNI-CRAIPNDOSA-N 441.488 0.859 30 20 ICED CN(CC(=O)N1CC[C@@H](OCCN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 478904684 YWXGZUZPVZEDFG-GOSISDBHSA-N 436.534 0.128 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 484380746 FSSODOLKIYKPFT-INIZCTEOSA-N 447.459 0.606 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486482476 YKWHTJVDXDJFSF-SFHVURJKSA-N 433.534 0.630 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 506198239 AIQIDAZSEZENDI-RDTXWAMCSA-N 442.497 0.981 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)CC1 512467232 AXFGWGWOEPUUOG-BDTNDASRSA-N 446.640 0.801 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)CC2)c1 518794275 XPUNFOZOUJMGRY-UHFFFAOYSA-N 436.457 0.327 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1S(=O)(=O)NCC#N 534990777 UWMBHCYWQUTMAR-UHFFFAOYSA-N 427.486 0.790 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 539429314 DXTYRCJVMIYPFU-YJBOKZPZSA-N 428.532 0.617 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542072075 CYZDMRIEWQGPQN-CYBMUJFWSA-N 434.453 0.219 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 549995172 VTXNBVCFSNVKHT-OAGGEKHMSA-N 426.543 0.776 30 20 ICED CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c([N+](=O)[O-])c1 553776289 IUJREHULURLGHK-UHFFFAOYSA-N 440.459 0.974 30 20 ICED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 554730960 VZZCPAOPUXOPIY-UHFFFAOYSA-N 441.506 0.598 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(-n4ccnn4)cc3)CC2)c1C#N 571923932 HMBSYTAPTWSJNX-OAHLLOKOSA-N 447.503 0.707 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 603581385 YFBZEGRTEDXHST-MTNOOBJLSA-N 429.587 0.401 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2ccc(C#N)o2)c1=O 608474594 VILQYIQGHPFEPV-UHFFFAOYSA-N 426.498 0.971 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610808670 WVZWKDPIMKRGLG-LLVKDONJSA-N 440.478 0.328 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 728530808 UMOYEGBHIUAVOF-UHFFFAOYSA-N 442.335 0.360 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(=O)(=O)CC 731696434 PZSDGZVDGLPQTC-CQSZACIVSA-N 431.536 0.766 30 20 ICED COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 735224828 DBAVTUVYKWNDBO-INIZCTEOSA-N 448.501 0.778 30 20 ICED CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 744566149 YLZDTOLYQABWEY-UHFFFAOYSA-N 429.502 0.914 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 747819968 FCVWUNFSTAWNIH-QHCPKHFHSA-N 439.516 0.422 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@@H](S(=O)(=O)NC)C3)nc12 749794159 UYKDDCODRFEYGW-CYBMUJFWSA-N 434.547 0.947 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 751091210 ZIWWPDZNBNLRKM-NXVVXOECSA-N 437.430 0.065 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1=O 752800756 QHQMYRMXUBCSDR-JKSUJKDBSA-N 435.525 0.736 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755546723 NCTAZLDOVSXQJJ-BBRMVZONSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758075478 IGNPVTGWCXHBON-UHFFFAOYSA-N 431.433 0.988 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758120991 XKSANFXZDHPTQA-QGZVFWFLSA-N 441.557 0.774 30 20 ICED CN(C)C(=O)COC1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 761631521 XQGKKIPSKKJWKB-HEHNFIMWSA-N 437.522 0.820 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 764298939 NRQXZIMJAGMDFL-IKBYJFNHSA-N 449.489 0.101 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 766364577 MURCYVVIAZDVEX-GICLCMKGSA-N 437.522 0.556 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(Cc2nnc3n2CCCC3)c1 773237003 SSSLAXQOCVCHLV-UHFFFAOYSA-N 440.489 0.536 30 20 ICED C[C@H](CC(=O)N1CCC(C)(C)S(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 773665173 XRCCBEXLXAUBSQ-CYBMUJFWSA-N 427.548 0.929 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 784352024 PFZZYNNTCYWXNG-UHFFFAOYSA-N 444.469 0.300 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2csc(N)n2)CC1 788970852 HYVDTGHXBVIPGC-UHFFFAOYSA-N 435.487 0.287 30 20 ICED CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 793794416 ZGPCCDPFZXBEJA-GOSISDBHSA-N 438.569 0.629 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 795155129 CBIVPMDYFYEYBL-YPMHNXCESA-N 430.508 0.522 30 20 ICED NC(=O)c1cc(Br)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 799770926 OVCICSQNAHFGPY-SQFISAMPSA-N 443.279 0.353 30 20 ICED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802552339 SKKCPNXSMDJJOQ-OAHLLOKOSA-N 447.583 0.030 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2cnccc2C#N)c(N)n(Cc2ccccc2)c1=O 805718550 GPFMCOUESUUHMR-UHFFFAOYSA-N 433.424 0.967 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 807305130 RVFQVEORULFBFR-GWCFXTLKSA-N 436.412 0.854 30 20 ICED COc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1C 810428641 IKDXXYOIYVRFQY-JCMHNJIXSA-N 434.478 0.819 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 811092639 JIKYLPBZSOYUHL-JCURWCKSSA-N 435.462 0.146 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C1 812163843 PBVILNBXRRWZNR-QGZVFWFLSA-N 434.522 0.893 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 814572278 CQTHVVPQLQYKEY-KRWDZBQOSA-N 434.518 0.112 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 916177879 IHABMPKYUPYOAA-UHFFFAOYSA-N 434.499 0.859 30 20 ICED CCOC(=O)c1csc([C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 920327053 HJLCMINKRVSJAP-SNVBAGLBSA-N 430.446 0.333 30 20 ICED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1315073160 KFDMUTHALGTGCX-MRXNPFEDSA-N 441.514 0.261 30 20 ICED Cn1ncc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 1320731406 IIEYUYVKLBUXFO-UHFFFAOYSA-N 446.514 0.535 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c1 1444264726 QORPPULYNYJORU-UHFFFAOYSA-N 427.486 0.753 30 20 ICED Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)cn1 1503658564 VIJXDYWKEABLND-UHFFFAOYSA-N 440.533 0.921 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCC1CC1 1616910884 LAVJBEXOQZPARW-UHFFFAOYSA-N 441.540 0.581 30 20 ICED Cc1nc(=NC(=O)Cn2cc(Br)c(O)nc2=O)n(-c2ccc(C#N)cc2)[nH]1 1654344074 UVCRLRPPQACRRM-UHFFFAOYSA-N 430.222 0.533 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1696951257 RZIAGEGZYHREOY-MRXNPFEDSA-N 435.492 0.868 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1729779782 XUSVMXSSWGYEAE-KKSFZXQISA-N 427.461 0.879 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1741674853 JMEHGTVDZVUOSH-UHFFFAOYSA-N 425.497 0.098 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750388269 NCDGUBQAPQGVGP-MRXNPFEDSA-N 430.463 0.822 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1751984304 YZOZXPGNGLLFBP-INIZCTEOSA-N 437.504 0.733 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1761474236 YCNGRFZXMXIEOM-UKRRQHHQSA-N 444.583 0.453 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1764994310 VLVHBUAEYWOZKA-INIZCTEOSA-N 431.522 0.423 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104195 CLROPMRPPGLDSY-KRAMAXKOSA-N 433.509 0.928 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779395226 MLWARRSRQYWANS-DYESRHJHSA-N 430.505 0.941 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)NC=O)C3)c1 1780091318 BWPGHRYKFHCEAO-VQPPSCEASA-N 428.489 0.829 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO3)c(C#N)c1 1781172426 PQUBEYASWYRJNY-QMHKHESXSA-N 442.516 0.806 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1781862310 ZKHLVTSSQMYXJK-PXAZEXFGSA-N 437.415 0.778 30 20 ICED CC(C)(C)c1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cn1 1782010391 RXHVAEHEVUPVHI-VGOFRKELSA-N 428.489 0.990 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192922 ZLTZPKIUGHKHHJ-QFIPXVFZSA-N 438.488 0.793 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1783207485 LQYKLDLCDWSFAG-YOEHRIQHSA-N 436.383 0.430 30 20 ICED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1783216394 GPAFYDNBCQGKOF-JOCHJYFZSA-N 441.484 0.892 30 20 ICED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)Cc4ccc(OC)cc4C#N)CCO3)C2)CC1 1783216395 GPAFYDNBCQGKOF-QFIPXVFZSA-N 441.484 0.892 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564836 NMLFLCOFPADKLU-VFNWGFHPSA-N 435.477 0.161 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)cc1 1785170739 WYJTWIDLSWSZLS-ACRUOGEOSA-N 447.495 0.977 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786799171 WGVKXIXZMNTGOM-WNHJNPCNSA-N 446.935 0.264 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)C[C@@H]21)C(=O)O 1786900047 SHQZPBZKZNUOFM-OITRIXBGSA-N 442.516 0.970 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)Cc4cscn4)[C@H]3C2)c1 1787398402 ZCJOFEWDSJRJDF-MBGYTDRXSA-N 428.518 0.506 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788346820 RNEMNMYZPPKCAW-JDHQYPSRSA-N 443.504 0.117 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749227 LVIDETLKLATLAH-QUSNUVHPSA-N 429.539 0.344 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791267621 NFVCMZBDBNOJSB-FJIDUMEYSA-N 437.537 0.655 30 20 ICED O=C(O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791301920 LWKISSAQMCRSGK-HKHUCDFUSA-N 426.539 0.256 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333702 WYSOPKRSFWBOAZ-DOWNOZBLSA-N 437.537 0.914 30 20 ICED CC[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 1792538590 NBBZZXUUCJHQDU-LORHWOILSA-N 438.488 0.552 30 20 ICED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797782735 MQHSUTQKQUQGLF-CWPLJXCYSA-N 431.489 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@@H]1CCCCO1 1797790999 GEJKHUMHZZQNCJ-LTUXPVQVSA-N 437.562 0.694 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818603 VGMPXJWKNHRVLD-RIXZCIFLSA-N 433.509 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1ccccn1)C2 1799304140 OZMPDTKVUMGFCP-LJCCNALRSA-N 430.505 0.981 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c1 1801067948 VLGIXNFPQNVTGY-DFYYWFRZSA-N 426.473 0.296 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(=O)c1ccccc1 1803416046 PBLKYAKCPORGQS-WMZHIEFXSA-N 448.479 0.948 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CC1 1804091043 MSUPJVBZNQSPNY-BJWYYQGGSA-N 448.520 0.265 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@H]1c1cccnc1 1804808671 TXTMKKPXPFOQJR-OXFYSEKESA-N 435.484 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807048680 QYIVGXJXQSCAMI-DFEOGRTESA-N 431.537 0.253 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695222 JREXQKUGYIPQKK-AQCRLBJHSA-N 440.544 0.509 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2CS(C)(=O)=O)[C@H]1c1cccnc1 1812526064 PWWWVTBPDOUICG-JXFKEZNVSA-N 426.498 0.974 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1814982181 KLUWWAPBVGEGRR-LLVKDONJSA-N 429.506 0.734 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1815062600 NFPFTWLPCAXPEV-BIMBYPIRSA-N 435.554 0.120 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026742 OBZXWCZYXCLOSS-RDJZCZTQSA-N 438.529 0.489 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824769043 MFVGLKBFKMIRPN-IEBWSBKVSA-N 429.517 0.960 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1829764431 LMBJGZYJADYFOY-KKHYBRAUSA-N 437.493 0.816 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829798010 QZWCLJKNJPZXEG-DUYDGHCJSA-N 447.561 0.912 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1831403068 WFXOCIROINULAY-JBYIUTFZSA-N 431.489 0.344 30 20 ICED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@H](S)C(C)C)CCO4)C3)(C1)C2 1831497528 DNPOTJNVRAVHGJ-DTBAYKQASA-N 440.562 0.741 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832471181 IGHICYGJKWPQPN-ZJSXRUAMSA-N 425.529 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3ccn(C)n3)CC2)CC1 1833075897 FOPBWFJKYCZNJE-PLNGDYQASA-N 442.564 0.393 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1833509483 MURLUYLLTZZOIF-YWZLYKJASA-N 435.481 0.356 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1833802504 LYEHUIXHICCLEK-XLKWYTADSA-N 435.550 0.993 30 20 ICED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834337659 FDLIOYLNGKQEME-YTLJWTSXSA-N 436.465 0.582 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1835342196 SWNUCKWYEROARM-QFIPXVFZSA-N 438.488 0.720 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1835362575 NQNYDZSXBZJKCO-QFIPXVFZSA-N 426.473 0.945 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835678009 UPRYFDSFCIXMAK-HTAPYJJXSA-N 436.553 0.298 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835712598 OMSZZDCEHMOLOM-LPHOPBHVSA-N 434.581 0.657 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836258420 IAVWSMYQFPSTAS-UHFFFAOYSA-N 432.546 0.788 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1837393555 VHYPZDJRSGIRGV-WMZHIEFXSA-N 431.533 0.962 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837402325 ALZCHAOLJAAIFU-MBSDFSHPSA-N 445.516 0.429 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559755 GSGPZOZLHSZFFF-ASPARNDVSA-N 432.521 0.639 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838829893 XRGZANKMGZHYII-IERDGZPVSA-N 434.493 0.536 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c1 1838904588 OGDFGOAWKJKNAJ-KNQAVFIVSA-N 425.441 0.955 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839224546 MENJMJNSOCYMGX-DNVCBOLYSA-N 441.916 0.794 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839841614 UFHPMVFRVHTNGQ-BTYIYWSLSA-N 429.477 0.717 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CC1 1840165962 PNJZOYSZLXCUNG-YWZLYKJASA-N 443.566 0.630 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1840169588 APGXILVJLYZGFY-QFIPXVFZSA-N 425.489 0.911 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cc3ccccn3)CCO2)C1 1840330798 QGFLZFMRWKKNMI-YCRNBWNJSA-N 429.517 0.755 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)cc(C(F)(F)F)c1 1841961883 INDCUEPFQIZVBG-AWEZNQCLSA-N 449.389 0.992 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1844235761 WJJIDCPUKJVWSH-XJKSGUPXSA-N 430.505 0.769 30 20 ICED CCS(=O)(=O)c1ccc(N2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 63992775 ZMPVBQQMWPZPED-UHFFFAOYSA-N 431.518 0.830 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 409543890 NYVFDYNYVZYCJQ-CYBMUJFWSA-N 436.506 0.997 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cncc(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)c2)C1=O 410142072 OIDNSSDUPNTBPZ-OALUTQOASA-N 439.516 0.799 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)C1=O 438392081 ZZLUWHHYEGKVQL-CQSZACIVSA-N 449.533 0.862 30 20 ICED C=CCNc1ncc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)s1 440406351 XFGPGWBHLFKPFO-UHFFFAOYSA-N 427.474 1.332 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 447172109 ORACUZWCWFVZQS-QGZVFWFLSA-N 434.562 0.920 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 447809430 YXQIXZUPIREHGJ-VAMGGRTRSA-N 430.505 0.715 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 461668088 DGCIYZORMDZFJJ-UHFFFAOYSA-N 430.490 0.641 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 461997147 XHJFTHBZFFPYFI-UHFFFAOYSA-N 430.490 0.002 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC#N)CC1 465146938 MXNNSSDGBLZNFI-INIZCTEOSA-N 426.926 0.541 30 20 ICED CN(CCCNC(=O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)S(C)(=O)=O 471003106 CILWKPADYSIONR-GOSISDBHSA-N 441.985 0.920 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471046184 CTTOJGYZKYSXPA-UHFFFAOYSA-N 441.488 0.525 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)c1C#N 472889144 BOYCIYBMBLPCFR-MRXNPFEDSA-N 435.488 0.491 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1Cc1ccon1 480948376 BMBVECUZKIYNFG-UHFFFAOYSA-N 429.527 0.994 30 20 ICED CCOc1ccc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 481819785 WSMCIAPLWIWBKT-UHFFFAOYSA-N 426.477 0.115 30 20 ICED N#CC1(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN(Cc2ccccc2)CC1 482637098 JRLNASFEAPPAII-UHFFFAOYSA-N 444.517 0.066 30 20 ICED C=CCN(C(=O)Cc1cc(S(N)(=O)=O)cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 486235321 YKQQZQNQKKRPNG-AWEZNQCLSA-N 429.506 0.967 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502051282 QNUGZAPEBZMNOU-UHFFFAOYSA-N 435.575 0.052 30 20 ICED CS(=O)(=O)Nc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 502222241 YZHPYCMLDQXANZ-UHFFFAOYSA-N 449.514 0.471 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 503731590 UNCYPTZMTZVDAB-OAHLLOKOSA-N 440.441 0.782 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)c(=O)n2C 508400988 JZLGSBJHABRUAC-UHFFFAOYSA-N 437.460 0.207 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 517983303 QNDDRETXPCHVCP-UHFFFAOYSA-N 441.557 0.227 30 20 ICED COc1ccc(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 519620828 DVYRAIRFVOJTCH-UHFFFAOYSA-N 444.517 0.684 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1S(N)(=O)=O 523035957 KBPFCXAWSQYEIO-SFHVURJKSA-N 441.513 0.818 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)c1C#N 559704164 VTTVSNZCBHZBBK-UHFFFAOYSA-N 433.476 0.146 30 20 ICED Cc1nsc(N2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1C#N 573853671 WWYWNUVVNOGADH-UHFFFAOYSA-N 425.474 0.231 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2=O)cc1 575165666 CWZYLQBFVAOIDQ-WBVHZDCISA-N 426.477 0.077 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 583643704 UVFKOAFAIOEVPD-LSDHHAIUSA-N 426.543 0.292 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 588866572 LYKKWCUZINFRSD-QKLQHJQFSA-N 441.532 0.737 30 20 ICED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 603445993 OZACYYBOMFQWHH-CYBMUJFWSA-N 436.515 0.704 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cs1 726576871 CMOCAHVWGQMACM-UHFFFAOYSA-N 443.535 0.397 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1=O 726967376 UWPSIFHAVJRWMJ-UHFFFAOYSA-N 447.442 0.237 30 20 ICED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 727160426 FEHWGBWGXSVRFC-UHFFFAOYSA-N 446.916 0.183 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 730530343 AXKPTRZKYOPYBU-HZHRSRAPSA-N 429.462 0.523 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 730683655 IPUXXZWFPUAFER-MOHJPFBDSA-N 446.533 0.542 30 20 ICED CC(=NNC(=S)NCCN1CCOCC1)c1cccc(N2CCCS2(=O)=O)c1 741161234 MHPMOYCMBKGSAP-UHFFFAOYSA-N 425.580 0.747 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752666100 SKOPKEJLEBMNEK-YPKPFQOOSA-N 447.926 0.505 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 755534937 FXEFZZRYAMOLKA-WFASDCNBSA-N 426.437 0.476 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(I)c2)CC1 763349492 DWRAMSKMWFIMDS-UHFFFAOYSA-N 429.233 0.938 30 20 ICED O=C(NCCCO)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 769333953 FWMGDYDLYKKALS-UHFFFAOYSA-N 436.534 0.243 30 20 ICED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 773949320 UZBNDVNVRDTLOU-ZDUSSCGKSA-N 428.461 0.780 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 777350636 MVYYWZKRBYVXRL-CYBMUJFWSA-N 430.527 0.888 30 20 ICED COC(=O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 779548855 ARLAIEMRRLJJEQ-UHFFFAOYSA-N 436.534 0.603 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 783480527 KDTYZNZCHSCSIJ-QGZVFWFLSA-N 433.530 0.968 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@H]1CCS(=O)(=O)C1 783480787 UPGHQIOYNXGIEP-LBPRGKRZSA-N 437.430 0.344 30 20 ICED COCCOC(=O)c1c(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)sc(C(N)=O)c1C 786439983 IJYKNMCYNFIVKV-QGZVFWFLSA-N 426.426 0.361 30 20 ICED COC(=O)C1=NOC2(CCN(CC#CCN3CCC4(CC3)CC(C(=O)OC)=NO4)CC2)C1 790081034 VQKBNHCRTYBMPW-UHFFFAOYSA-N 446.504 0.558 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 796285157 GELMACAJFLAJCM-UHFFFAOYSA-N 433.465 0.915 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 806710538 RWRMTCOYKDFHFG-LJQANCHMSA-N 428.489 0.241 30 20 ICED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915777363 HJMRNVWRMBKVBH-UHFFFAOYSA-N 446.489 0.379 30 20 ICED N#C[C@@H](C(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916998989 ZMRGIZLDWUVDME-NSHDSACASA-N 430.373 0.943 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 918254827 BSNURLODZHUMBT-QJOMJCCJSA-N 432.506 0.841 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 919033781 AWYSXKUXOOLJSI-MRXNPFEDSA-N 429.454 0.500 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 919131238 AGMNZHAGZLBISE-OAHLLOKOSA-N 433.490 0.885 30 20 ICED C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286632293 IIZVIWPGRWUXTM-UHFFFAOYSA-N 445.955 0.997 30 20 ICED CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299534135 QIFZGDCWLOVTSQ-OAHLLOKOSA-N 441.540 0.789 30 20 ICED Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1510426033 UCTQSLOXMZXLCO-OCCSQVGLSA-N 439.567 0.933 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1562780623 INQISIOHCSMZQV-AWEZNQCLSA-N 434.444 0.607 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1722845770 YLZWLCJVEQRSBR-INIZCTEOSA-N 447.446 0.539 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779055895 BGGXGXKBABPQDH-YDIXPIFQSA-N 426.477 0.819 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779107682 XMVFWFULDLFQBS-VPOOYJOPSA-N 431.493 0.768 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1779319575 QORUNJUAZZIPCD-RXVVDRJESA-N 448.907 0.806 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]cc3[N+](=O)[O-])C2)c1 1779602411 CWRKUDZIMQJUDF-DNVCBOLYSA-N 427.421 0.959 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C)C1 1779871349 DKILSVBQNRHOFT-FQPQFMITSA-N 427.505 0.771 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CCO2)C1 1783195630 YIEDTDKUMWTZQO-JKDFXYPNSA-N 430.477 0.830 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1783972950 ONNZBFRARLBGPF-LAUBAEHRSA-N 443.529 0.992 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784380748 XLDKIOHFMIXIBX-QRFRQXIXSA-N 445.541 0.633 30 20 ICED Cn1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)cn1 1784576673 UPJXLLKBCDUODX-JOCHJYFZSA-N 433.472 0.854 30 20 ICED C=CC[C@@H](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 1784786258 SRWXEZCGZVIUMG-OYSTVDSJSA-N 448.564 0.964 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1785346547 BXNGWGAIZODDIQ-NRFANRHFSA-N 435.525 0.283 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493637 AANHDYMZWKUWBR-QSCHEVOUSA-N 444.517 0.282 30 20 ICED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1788594086 QIJYVNFYVBCLCI-BQFCYCMXSA-N 432.597 0.893 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789258337 FHSRQKAQOWDSMP-VTCANLHHSA-N 440.500 0.851 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1789955632 MPZLQCUWNLQNIN-SRIISGBFSA-N 437.566 0.794 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1789959432 IYDHENWJNDPJIB-QAETUUGQSA-N 449.508 0.038 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc(C)c1C(=O)O 1790318925 LEEZOJJKCHRLAA-XIRDDKMYSA-N 428.441 0.683 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1791439847 YSPVVMZAZBAMMC-DNCCFGNJSA-N 434.562 0.962 30 20 ICED NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794268565 CNVNMPPWBZHNCI-HGKCTWBKSA-N 440.500 0.082 30 20 ICED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1C(=O)O 1794434615 XGPYLRDDNKYTMB-ZSBFGKGUSA-N 440.460 0.879 30 20 ICED COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794581605 RAXSFNZSTRDRQE-HGKCTWBKSA-N 430.505 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccc1C=O 1795746186 QWJTWFMIGLLLQM-GMYCFHGXSA-N 428.489 0.310 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1797644931 KBPDSHMBDLFKNO-AJYBTWMASA-N 439.578 0.075 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798470484 KVUJJGOIBFQBAR-MIFYACCESA-N 429.477 0.295 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494952 ZZFBXZPVGPRRIU-ZNLWLASDSA-N 425.555 0.638 30 20 ICED O=C(COc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798496576 CGXBGIDQDVBULE-PTQWQHRMSA-N 433.465 0.728 30 20 ICED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1cccc(Cl)c1 1800778893 VNRHBGXNAUWPOW-HRYATBACSA-N 447.875 0.195 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804095457 PRKMBEXNPPTXCE-RHSMWYFYSA-N 435.431 0.851 30 20 ICED 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)CNC(=N)N)C2 1804405840 SBODBBPPPNLECV-AHGCPEOQSA-N 434.541 0.577 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNC(=N)N)[C@@H]3c3cccnc3)c2c1 1807061217 MHYJKOYYBUDTCE-QRWLVFNGSA-N 445.487 0.632 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1810344365 XEAFWBYRWOSKPS-SFHLNBCPSA-N 429.473 0.996 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811541091 RJILGLMSLQWOSQ-DSKINZAPSA-N 438.488 0.252 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1814976292 GENHYOIEMJSLQD-GFCCVEGCSA-N 432.554 0.177 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818803016 SSSDALZRYQRNLA-OAHLLOKOSA-N 449.577 0.812 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819898019 GJRWZAOJQDLLGU-KDIOZZRJSA-N 434.482 0.271 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828916032 KPHGXUBBNWNXEL-WZONZLPQSA-N 438.484 0.350 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1829763776 AHNJWQQOVYNLHL-DYRFGFBLSA-N 428.489 0.318 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1830455947 BHCMIDHJRMUBDT-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCC(C)CC1)CCO2 1831092606 GDQBGRBABBVQGK-CHFIUFFRSA-N 448.564 0.033 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831184924 JKQAOBWEAGOAPE-HLESVKLYSA-N 434.493 0.070 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1831392506 FCJCUUMSDXOBRM-SVMVAKDDSA-N 430.505 0.377 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnccn5)CCO4)C3)c2c1 1833978745 MOUZAMPBWSLDCH-QFIPXVFZSA-N 447.455 0.608 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834028820 ZXYSUWZUWMDEJB-AGDXKCLUSA-N 433.465 0.076 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834109604 OAUNVSMMYKFZKR-NRFANRHFSA-N 425.445 0.430 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1835714334 KXSZYZPOQMIDHJ-LJQANCHMSA-N 447.580 0.739 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CN)c2ccccc2)CCO3)c1 1835818118 KVZNSWYCYYVGSR-XXBNENTESA-N 437.500 0.699 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3C=CCN3)CCO4)c2c1 1836481041 NINUQUVDZLKIGM-AVRDEDQJSA-N 436.472 0.033 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837446322 HKGNFVJIZAJGQQ-DUYDGHCJSA-N 431.493 0.329 30 20 ICED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCC1 1837446495 CGKASXVARNNYGV-GQBVICOWSA-N 436.553 0.874 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)co1 1837525574 XOFAGVORSNRADB-MTPZKLCPSA-N 436.465 0.582 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531214 DVJZVPBTSOYBRM-RORQMLAVSA-N 448.520 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1838386375 GWEANKNTCUPISL-QAPCUYQASA-N 434.541 0.806 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838415830 ZJMHQBVXLUJSNR-LJQANCHMSA-N 431.474 0.130 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953197 TXIRDTALSQZHJA-UPMCQBDUSA-N 426.473 0.668 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccc(F)cc1 1839039471 JMJBCLFRDAPARA-IFMALSPDSA-N 446.479 0.763 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1839174326 TXTPQSJPBRWPOK-NRFANRHFSA-N 435.452 0.800 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c1 1839453907 JLFNGTHNRFYMGR-VGSWGCGISA-N 438.488 0.789 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)[nH]1 1839487324 BNMASAXRTIVXIG-JOCHJYFZSA-N 449.471 0.850 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546983 VDFPUCJNCFTUFO-HTAPYJJXSA-N 441.488 0.146 30 20 ICED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840524144 AMGJZFJQUCQXMY-JOCHJYFZSA-N 441.488 0.931 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840820639 BYTQFDQPDFACSK-JOCHJYFZSA-N 427.457 0.698 30 20 ICED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)ccc1F 1843009408 SFHJCJMQQWOFPT-UHFFFAOYSA-N 435.419 0.488 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)C1 1844623580 IMBINUBTFAUJKI-UHFFFAOYSA-N 425.470 0.114 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCO1 409497384 DRJNYDDCPAMRGY-MRXNPFEDSA-N 446.526 0.428 30 20 ICED CC(C)CN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 436123861 MOIFPKSVEOPLJU-KRWDZBQOSA-N 440.504 0.793 30 20 ICED CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 439644134 QZSLCOZCBPZLQL-GOSISDBHSA-N 449.533 0.212 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCSC 443572654 GDMRWTKBUFDBQW-UHFFFAOYSA-N 447.582 0.937 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 443679873 IQBNLMLBPIQPFC-UHFFFAOYSA-N 430.511 0.963 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 448112874 HHMITKIOFYNRSE-UHFFFAOYSA-N 433.534 0.860 30 20 ICED C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 464603247 UTJHOPWXHIPNHJ-JKSUJKDBSA-N 429.477 0.927 30 20 ICED CCCn1c(=O)nc(O)c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cnc21 465264663 IJYZFLKPNQJDQF-ZDUSSCGKSA-N 434.460 0.920 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 465414063 FOFCBSWDNPJKAW-AWEZNQCLSA-N 433.472 0.916 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 467229302 KURHOSKYVCNGDJ-XUSGNXJCSA-N 436.428 0.407 30 20 ICED N#C[C@H]1N(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCC[C@@]12CCCCO2 468632130 OCYUMPMPRWLWIC-APWZRJJASA-N 434.474 0.696 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1Br 470795075 IIIOJUKHCFRPMR-UHFFFAOYSA-N 448.342 0.880 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)c1C#N 472871839 QBQAIPODASXEMA-UHFFFAOYSA-N 433.476 0.527 30 20 ICED C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474856082 YPONRZPEMUNBNE-AWEZNQCLSA-N 428.536 0.397 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 478864164 ZEGBFHYSUHKQCE-HOTGVXAUSA-N 442.541 0.832 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1=O 498509568 LSFIXBDSPFPWBG-CQSZACIVSA-N 449.261 0.425 30 20 ICED N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 507427082 FQNPJQQIDGOHJP-INIZCTEOSA-N 436.515 0.889 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)[C@H](C)CC#N 509227085 XWPPCBMMIHYNPS-NVXWUHKLSA-N 426.539 0.643 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 519439553 URPVTJMKTKUWID-AWEZNQCLSA-N 443.529 0.826 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2C)c1=O 523078748 LMQORKAIAQWXTK-UHFFFAOYSA-N 433.505 0.660 30 20 ICED N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533494035 UFHKGMIEQMHZIG-UHFFFAOYSA-N 431.474 0.585 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1-c1ccccc1 545365435 HKRIPEFTIFIIIP-UHFFFAOYSA-N 435.461 0.885 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 545369015 RNDQFIYARIGUBR-UHFFFAOYSA-N 425.466 0.615 30 20 ICED C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549327012 JPQCJQVXFIUOFJ-UHFFFAOYSA-N 438.452 0.765 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 549995174 VTXNBVCFSNVKHT-PMPSAXMXSA-N 426.543 0.776 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)n1 559828445 KFKVOJMNLKVOCA-NRFANRHFSA-N 448.527 0.792 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1cncs1 578680974 CJZMVTFFMNQISO-OAHLLOKOSA-N 442.567 0.907 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 731808232 MCTCJRYVZLGOPD-UHFFFAOYSA-N 436.453 0.790 30 20 ICED NC(=O)c1ccccc1N1CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 732565014 XARXETOCXXEDDH-CQSZACIVSA-N 441.513 0.609 30 20 ICED CN(C)CCNC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733169333 XDDAVEGGQWOOGU-UHFFFAOYSA-N 449.577 0.422 30 20 ICED CCCCNC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831081 PBFXXVYQTOJLAK-OAHLLOKOSA-N 429.433 0.932 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 746363351 UUKGYAPMVFKJBL-UHFFFAOYSA-N 442.501 0.367 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 748126198 MYANUMSHBYNOLE-OCCSQVGLSA-N 445.881 0.019 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 749326195 KFAPFUVHYHFQEG-FVRSWCFKSA-N 425.511 0.783 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 749505248 YKDZUIZOAQWQFQ-HSZRJFAPSA-N 438.484 0.580 30 20 ICED C#CCOCCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 755441093 PFTWKSYRSVVNRM-UHFFFAOYSA-N 441.893 0.544 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776120 LSDLYIKNYQBYMH-UKRRQHHQSA-N 429.543 0.859 30 20 ICED C#CCCN1CCC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 760369699 WYVVPHQZKAUUBM-HXUWFJFHSA-N 448.589 0.820 30 20 ICED C#CCN1CCN(C(=O)CN2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)CC1 775862663 GUZGYCUPDDVEBM-IBGZPJMESA-N 449.596 0.649 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 783348328 XZVSNUYWGLRGBX-UHFFFAOYSA-N 443.485 0.200 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccnc(C#N)c2)CC1 795975982 LALMYAYAZLTNPD-UHFFFAOYSA-N 433.446 0.248 30 20 ICED C#CC[C@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 798279591 CNJVQXBXGHGMMI-FOIQADDNSA-N 441.550 0.589 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 799286094 CXAJELVHXCZSFQ-AWEZNQCLSA-N 425.507 0.553 30 20 ICED C[C@H](CC(=O)NCC1(S(C)(=O)=O)CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 803585199 HICILEXEJNRAKR-CYBMUJFWSA-N 427.548 0.977 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)n1 807754522 LDDIBWFYXLDTHX-INIZCTEOSA-N 444.923 0.935 30 20 ICED CC[C@H](CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1)OC 809943307 BRBLWDSIBRJLHQ-ZWHOUUFJSA-N 442.563 0.695 30 20 ICED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3snc(C)c3C#N)CC2)C1=O 811785496 AETSZGRVUXVPGJ-IBGZPJMESA-N 428.522 0.994 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812266855 DSBMQIUHKFMTKN-ZWKOTPCHSA-N 432.550 0.945 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 815861070 PIXRIXRBFICYQU-UHFFFAOYSA-N 438.326 0.691 30 20 ICED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1141917893 IGRLUYLJDCRUSG-MAUKXSAKSA-N 439.559 0.398 30 20 ICED COCCn1cnc2c1c(=O)n(C[C@H](O)COc1ccc(C#N)cc1)c(=O)n2CC(C)C 1317765248 BRKITICHLMPNKZ-KRWDZBQOSA-N 441.488 0.974 30 20 ICED CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1359639143 SYUJAMWQTSJQFW-MRXNPFEDSA-N 446.533 0.850 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1360681381 QHLAMMCSWRUNID-YVEFUNNKSA-N 439.521 0.725 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1541810384 QQWRGDQQCQKLOO-CQSZACIVSA-N 431.522 0.552 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1555803603 UKWIWSBVPRGQOC-MRXNPFEDSA-N 429.506 0.465 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1611711828 UGZIOWMHMRZCKW-HOTGVXAUSA-N 439.586 0.739 30 20 ICED CN(C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1617691990 ZVENMYDSALQMQA-SFHVURJKSA-N 425.541 0.737 30 20 ICED COC(=O)[C@H](Cc1ccncc1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1637552455 JTJKRHMHAKHVNS-CJNGLKHVSA-N 430.486 0.799 30 20 ICED CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691109360 ISPPCXVHROIPKG-INIZCTEOSA-N 425.493 0.568 30 20 ICED CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691210884 CQMKJWDSBOKTMS-KRWDZBQOSA-N 442.568 0.882 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1693885720 YXMVIADSMSZLBN-BTYIYWSLSA-N 426.477 0.595 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1741133572 SAKFIMWRZAEXEL-CVEARBPZSA-N 440.570 0.902 30 20 ICED CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1746495516 ULIMZXITDVTTMO-GJZGRUSLSA-N 436.538 0.215 30 20 ICED Cn1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)n1 1767488423 VMRXBZQLQTYHJW-KRWDZBQOSA-N 448.553 0.523 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779139463 DKSBBQFOXPWXEA-NYNQOQISSA-N 436.472 0.814 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c(C#N)c1 1781171036 ICBSVVPRCAAOCM-NYHFZMIOSA-N 428.489 0.451 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)c1 1783631065 TWSJHEZOLQSZIK-FVCZOJIISA-N 440.500 0.686 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@@H]43)C2)C1 1783643081 QCXYJVBAXCXITI-MOOKXKAQSA-N 447.532 0.722 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090842 YGDKENYEXNNYNT-BTYIYWSLSA-N 446.508 0.814 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(C)n(C)n3)[C@H]2C1 1784241126 GWCCCIBGUFLFTR-WDSOQIARSA-N 432.521 0.760 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21 1784482671 PNHZYDLKSGEDCG-XIVBQZFQSA-N 438.484 0.967 30 20 ICED Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786857976 KGHICQUFSANREY-FHWLQOOXSA-N 430.553 0.762 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787398657 MQELMONHARMADM-DNPYSEFNSA-N 445.545 0.705 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788628596 WEJAVKFAFWEIQF-ACRUOGEOSA-N 447.576 0.387 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n(C)n1 1788630271 WLMIVHUIXYBOPV-LNLFQRSKSA-N 444.532 0.721 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788724717 GDNLYGUDZNHNJL-VBPVYKCXSA-N 431.541 0.366 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1792186626 SQCFKJMSZHFYNU-HTFNNOMWSA-N 435.569 0.743 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c1 1794360087 NOBFXFWGIUOBBP-HBCWATKFSA-N 426.404 0.613 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)ccc1Br 1795539006 ZSLQPXFRRXQLJV-YWVIFJGQSA-N 449.309 0.007 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323660 ORHHJWGESCDSDA-ZXFNITATSA-N 446.508 0.021 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(F)F)cc1F 1798557242 IOVJCQRIMJVIBY-YQYWCBKUSA-N 426.347 0.718 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)c1 1798695884 RDVJPSJKLQDHEM-PZPAOMODSA-N 438.440 0.920 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799304121 NKTXMHONLSDFOF-UEIBBUKUSA-N 437.493 0.614 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)CC1 1800030144 GEJRZJUWPWWQEY-QDMKHBRRSA-N 436.509 0.476 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)OC(=O)OCC 1800231592 WCEUBKDLLBTTLH-MPTYRVRUSA-N 426.466 0.647 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800293361 XGZHBSTZLTUVTM-RRZZWSPOSA-N 441.528 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OC(C)(C)C 1800600063 KYPKAJHWCHYKCU-KRXQYRFLSA-N 439.509 0.977 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2)c1ccc(O)cc1 1801058410 WOAHASSNMILRSV-SDLUEBNPSA-N 427.501 0.613 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3ccc(O)cn3)c2c1 1801463716 UIPPNUSPTDQCOM-USGNIVHTSA-N 446.467 0.981 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)CCC1 1801976511 DHSHIRNFZISNNB-ZJOBFFGXSA-N 441.488 0.276 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1801995623 CVSLAKLRKFHJKO-FAQVEIGNSA-N 435.484 0.983 30 20 ICED C#CCCC(=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 1802024471 LDCQFASVCDLUCZ-JMEXBRRFSA-N 449.548 0.750 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2 1802124745 HGFYAMWMGBOJMB-JYYAWHABSA-N 432.477 0.794 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc(OCF)cn2)[C@@H]1c1cccnc1 1805034737 RRAKLGPTPDWQKJ-LIRRHRJNSA-N 427.392 0.585 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807112469 KUUZXFUOLALHBK-RXVVDRJESA-N 428.537 0.910 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810357105 OLRMYJHKUBOCCP-JYZJQWRGSA-N 443.504 0.895 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175701 UZATVDDJWYOCBB-WWMYMODYSA-N 440.500 0.586 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1813177768 TYPWWBDIVYGLIJ-HRAATJIYSA-N 432.440 0.526 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813227339 QYVVXPHQOFDLCE-NNWRFLSQSA-N 428.533 0.932 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)S)CC2 1819861743 HRRKDHGCTATHDO-WLTAIBSBSA-N 429.520 0.868 30 20 ICED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819881866 OHWWHHUSJBWMDC-PXAZEXFGSA-N 426.564 0.625 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)N1 1825075468 ZTLCGRGIGFAFSP-XDSIONBOSA-N 446.552 0.676 30 20 ICED Cc1cc2nnc(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)c(C)n2n1 1825667797 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1838010594 JUIPGDKQGNOBBU-XNQWGTPPSA-N 434.497 0.946 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1838074563 XQDTXKBFOQJWNO-FQEVSTJZSA-N 429.521 0.465 30 20 ICED Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838394956 HXJFLEGEGNSVQZ-QFIPXVFZSA-N 431.489 0.752 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cs1 1838732391 OAEWNQGKRWMYHT-HXUWFJFHSA-N 429.502 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N(C)C)c3)CCO2)C1 1838922890 OUIKPSGPXZVGPK-WZONZLPQSA-N 429.517 0.861 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)ccc1F 1839186599 FAMBDBUFMQOJQW-JOCHJYFZSA-N 439.447 0.800 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839435110 MKBHOPVXUBVZGM-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840028979 OSBLZMABFZEQCN-MRUHUIDDSA-N 441.525 0.293 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(F)cc3F)C2)C1 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Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 439779987 JDPDKFAKBNTQLR-KRWDZBQOSA-N 439.476 0.469 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)C1=O 439842915 PSTFUQDMUIPPCR-UHFFFAOYSA-N 437.430 0.182 30 20 ICED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 440132681 LSAALKLTEZFTIO-OAQYLSRUSA-N 440.460 0.896 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCOC1 441920823 FAASZQGOZGAOMK-HNNXBMFYSA-N 442.497 0.882 30 20 ICED N#C[C@@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCOC1 478650807 LKKIMJQMSTXOHT-IBGZPJMESA-N 438.481 0.238 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)OCO2 487846745 YWAHJUKEKMGTJE-UHFFFAOYSA-N 437.412 0.756 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cc1 491604298 KXTAJAYRBBHTFQ-UHFFFAOYSA-N 437.518 0.840 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 497903467 MXMYJKZONMYODU-UHFFFAOYSA-N 428.428 0.610 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503120481 ULBJMGDIGACXCN-RTBURBONSA-N 427.505 0.938 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 505607549 JUOQYFXXDQRDLJ-UHFFFAOYSA-N 434.478 0.557 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 508134949 OQWQEXDSLZLHGM-JQHSSLGASA-N 444.513 0.205 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CC(C)C)CC1 514646004 RRRPIQXLFODRNY-UHFFFAOYSA-N 425.558 0.628 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 516049636 OUUCRSIAXCAZAX-UHFFFAOYSA-N 441.469 0.129 30 20 ICED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 519302752 ODRSDBQTGWECTG-IAGOWNOFSA-N 429.587 0.318 30 20 ICED C=CCN(C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 540551776 SIYZBJXZWKWYMC-OAHLLOKOSA-N 431.536 0.818 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CN1CCNC1=O 541697130 MEOQTLZLOHOOEX-HNNXBMFYSA-N 448.487 0.549 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(CC(N)=O)c1=O 556027068 WQXKDYZZYVDTHY-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 557804949 MDTZHJOBXLFPIK-AWEZNQCLSA-N 436.577 0.739 30 20 ICED Cc1ccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 561338371 KOCIZVBORIQBOZ-OAHLLOKOSA-N 434.440 0.790 30 20 ICED COc1cc(NC(=O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc(OC)c1 570323453 IAEAJABFFGGLBZ-UHFFFAOYSA-N 449.427 0.850 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)NCc3ccccc3)CC2)nc1 579638261 MEDNCPIWKYKNJC-UHFFFAOYSA-N 427.530 0.661 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 582135872 QNJQNHUAVQVADR-CQSZACIVSA-N 442.501 0.127 30 20 ICED COCCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(C#N)cc1 604493152 CYLPDMHEFJRVEC-FQEVSTJZSA-N 434.562 0.338 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 615315199 IEOPSMVXYCBAFX-IBGZPJMESA-N 429.521 0.830 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCc1cccnc1 619696008 PXHDWYWCXWICSD-UHFFFAOYSA-N 438.484 0.944 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 728572573 KHBMGALANTWNCG-SFHVURJKSA-N 427.549 0.401 30 20 ICED Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)c1 732154889 ZBBCBBMBUABROJ-ZZEZOPTASA-N 434.518 0.923 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 732495351 XKBSOUFKJBVPHQ-TZIWHRDSSA-N 448.479 0.971 30 20 ICED N#Cc1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734038167 DCWCYMXPRGULDA-GFCCVEGCSA-N 448.482 0.802 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 735567219 FRRJLRHFBQNWKF-XEFZIOHMSA-N 437.522 0.868 30 20 ICED C[C@@H](CC(=O)OCC(=O)Nc1nnc(C2CC2)o1)/N=C1/NS(=O)(=O)c2ccccc21 745495911 JOWNRTIELYOGQV-JTQLQIEISA-N 433.446 0.946 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(C2CCOCC2)C1=O 746899492 KIZPLAWSBMKEKQ-INIZCTEOSA-N 435.502 0.828 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 748042527 LWRYHALBPRKMNN-HOCLYGCPSA-N 443.525 0.634 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 749031795 BLRHQIIPSMROFY-UHFFFAOYSA-N 435.488 0.822 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=CC(=O)Nc2ccc(F)cc2F)CC1 749790712 XMBOUYMAHOGHCN-UHFFFAOYSA-N 439.463 0.965 30 20 ICED COCCN(C(=O)CON=CC(=O)Nc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 754278340 SULIFKMWZKFJLR-ZDUSSCGKSA-N 433.433 0.568 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755536633 LIDSOSGTEYBQEQ-HIFRSBDPSA-N 433.465 0.921 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756920465 OKLOKOJYEMXCBR-QWHCGFSZSA-N 425.486 0.503 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(=O)N(C)C)c2=O)cn1 764983021 SRSJWYIGZRVPHH-UHFFFAOYSA-N 449.536 0.909 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 770836198 UGRXRSGTJFJKQZ-UHFFFAOYSA-N 429.499 0.014 30 20 ICED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)c1 781103843 CHGKSHYUCJFENF-SFHVURJKSA-N 439.541 0.700 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 783011801 CZUDFAHWACDYDC-UHFFFAOYSA-N 426.520 0.064 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 783478564 FMAHLSSQSGJJBO-QGZVFWFLSA-N 445.497 0.792 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)cc1 785290024 JWOUKKOMROMAHM-JZZHWFMQSA-N 444.460 0.666 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(N2CCOCC2)s1 785526891 QPOZHYXSLCTBGA-UHFFFAOYSA-N 435.531 0.725 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)n1 785881589 MLJDUTPRDWTRHO-HDICACEKSA-N 433.553 0.495 30 20 ICED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 794593295 BBJBNBQTDHIZCA-GFCCVEGCSA-N 444.425 0.762 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 795155128 CBIVPMDYFYEYBL-WCQYABFASA-N 430.508 0.522 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)[C@@H]1CCCO1 803453805 TXNZZIJTMZEOPF-UXHICEINSA-N 447.557 0.862 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)nc1 804084165 OLSSQEKFSYDPMB-UHFFFAOYSA-N 436.520 0.205 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 805968240 DZWDQOCGJNLIIC-INIZCTEOSA-N 428.493 0.531 30 20 ICED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915444504 AAFIYGYIENHQDQ-UHFFFAOYSA-N 426.447 0.150 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 915477311 WLKJJDIEQZLAPP-NJSLBKSFSA-N 425.507 0.945 30 20 ICED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 916157222 IBXWKKZMBMEICK-FQEVSTJZSA-N 426.454 0.971 30 20 ICED CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919076220 AQHNAIXTVNNAHZ-ZDUSSCGKSA-N 429.433 0.913 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1128961930 IQWXIFRYTZUSGC-UHFFFAOYSA-N 449.529 0.945 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1297733631 ZYYNSJXQSSOYBT-KRWDZBQOSA-N 429.522 0.530 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CC1 1298012969 ALJCMWQGOCIXLR-UHFFFAOYSA-N 433.520 0.993 30 20 ICED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N(C)C 1303722305 MZBFUEAMIGLPPS-RDJZCZTQSA-N 439.586 0.691 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1305246368 RVORVBCGNVJKDU-OYHNWAKOSA-N 440.504 0.827 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1501218066 PDFRIXDLKZLHAV-KRWDZBQOSA-N 425.493 0.970 30 20 ICED N#Cc1cnc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c(F)c1 1642022238 ZWCBGWSCCNXISQ-UHFFFAOYSA-N 432.481 0.835 30 20 ICED Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1693415781 UDCFOYXPRFYAOG-HNNXBMFYSA-N 435.554 0.818 30 20 ICED COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1698070296 JXRRTALORGHAMI-UHFFFAOYSA-N 441.517 0.943 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1779042390 QEMHUXLGCYVHFU-OAQYLSRUSA-N 445.545 0.251 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062526 LNXLELREURMGIK-JOCHJYFZSA-N 428.489 0.627 30 20 ICED N[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779064244 CFLIBMCEHOHPGF-GBXCKJPGSA-N 440.544 1.000 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1779183820 OGWJVSSQSAPFJH-MZLICYQSSA-N 440.544 0.606 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861607 VOTRVNIEWKZIPW-SXGZJXTBSA-N 442.513 0.460 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)CNC3=O)C2 1782010493 RKFATCICPOGFII-VGOFRKELSA-N 425.441 0.146 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782665271 XVNGITVBRBWSIM-NRFANRHFSA-N 425.420 0.398 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1782917615 ROJXLODBLRDIMO-FXDLTUPKSA-N 437.493 0.689 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1783138397 PPLZXDQDVKJUJC-DYESRHJHSA-N 429.477 0.119 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558799 YQSKRPBDPFXJMV-QVKFZJNVSA-N 435.477 0.374 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1783767074 STINCTQVRIEINE-JLTOFOAXSA-N 434.497 0.718 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1784535140 VGUTURJYZWCVSG-LSTDLKDCSA-N 434.562 0.746 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1785075840 IMZMZUZCODCYAW-VPKVUBIPSA-N 427.505 0.350 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)cc1C#N 1785196763 OIBVYXVEZQRMJQ-OPAMFIHVSA-N 428.489 0.923 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788449064 KCFXNNIZANUNPV-SKNOTLCPSA-N 438.488 0.181 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789935082 BROLWDHHPUJGGH-RDGPPVDQSA-N 449.548 0.655 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790584582 MBLSJJIHRWRDHB-VKESLTNKSA-N 444.532 0.771 30 20 ICED NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cc1 1791895153 ZIMSAQBINWNANG-NLHDIRNGSA-N 441.532 0.851 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145695 HOHYYVXHXHGAHO-BJLQDIEVSA-N 431.489 0.580 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CC)C[C@@H]21 1792255342 IVUKTCHEBJVCJF-AVEIZBFRSA-N 437.537 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncc(S(C)(=O)=O)c1)C2 1792562974 AZOPURQFWZXIFW-ZNDSHVIBSA-N 446.529 0.595 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cn1 1794953101 SMCUJVATTOSCQP-VPTLXERWSA-N 437.456 0.639 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)c(Cl)c1 1795532777 AONCWVXWKWEANU-VLWCASSMSA-N 433.896 0.008 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797712687 ROMBLMDDMGFJRE-JTJHWIPRSA-N 443.544 0.969 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797713077 FCZRBWSDHHNWPF-DLTLXFJOSA-N 441.484 0.598 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)n1ccccc1=O 1797742075 JPOUWEMDSGXVON-KVUKLVBKSA-N 429.521 0.471 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797976178 DKOKEFPWIBKMRN-AYWDWDCISA-N 428.537 0.943 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1cnnn1 1799327586 ZUEJNFSGMUDQCH-XJTZBENFSA-N 427.440 0.077 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CNc3ccccc3C1)C2 1800775839 JHMZGCUNIVLIBA-SAQZZPNQSA-N 425.485 0.729 30 20 ICED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1800839910 WSRFAEQLGAZYKM-VTYHHJSWSA-N 445.516 0.831 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)CNC3=O)C4)c2c1 1800873794 STCNVEKPEXGLSS-BTTYYORXSA-N 435.444 0.238 30 20 ICED 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)CC2)C3)C1 1801052249 PVBWKHIGLLPUKO-CPBBTPEFSA-N 448.520 0.252 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2)C(=O)C(=O)O 1801331748 ZENORJJDBNIVTD-BTTYYORXSA-N 438.444 0.229 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1802477524 OZIZBZRXHSWPAK-FOGAVDIQSA-N 441.488 0.398 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(=O)c1ccccc1 1803416044 PBLKYAKCPORGQS-AUSIDOKSSA-N 448.479 0.948 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804339958 CHTNLXSSJCWQTP-FUHIMQAGSA-N 443.504 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1806911282 LWPJMQWKHLVAQM-NWSQWKLXSA-N 441.576 0.763 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]3c3cccnc3)c2c1 1807061219 MHYJKOYYBUDTCE-YWZLYKJASA-N 445.487 0.632 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807117354 FIWYDAGUPVEFMW-PXNSSMCTSA-N 442.520 0.437 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810357102 OLRMYJHKUBOCCP-DGRWFSIQSA-N 443.504 0.895 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1 1815669807 UYXZZJWHPZELQK-QGZVFWFLSA-N 433.534 0.546 30 20 ICED Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cn2[nH]cnc(=O)c12 1821224820 MFMYRQPEFWVYCD-SNVBAGLBSA-N 440.441 0.101 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821714814 ASDFCAPXCNCSOP-ZIAGYGMSSA-N 435.481 0.518 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1829266917 GNHWAAXKMOLSPR-GAJHUEQPSA-N 440.500 0.596 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1831397646 URZYMZYIVBXNTL-UZUQRXQVSA-N 446.500 0.812 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1Cl)CCO2 1832272561 FYBSFTRUDHDVPS-FQEVSTJZSA-N 438.839 0.566 30 20 ICED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834517258 JVQIARLDBJFFNO-NRFANRHFSA-N 433.509 0.589 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)cn2)CCO3)cc1 1834584688 RENIKWVXKWKAGQ-QHCPKHFHSA-N 436.468 0.972 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781889 RZZRFENVRISJQJ-BRABVMKYSA-N 431.537 0.795 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H](N)c4cccnc4)CCO3)C2)c1 1835834649 PWRIZTCVADKNSB-PGRDOPGGSA-N 438.488 0.441 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1836859569 OGGGBLQBDGFKQR-CQSZACIVSA-N 433.465 0.968 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193383 IYYBFWJHVGDFCH-YCRPNKLZSA-N 429.477 0.619 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440070 BMXKENAPUDXHIV-DIVQNALZSA-N 449.596 0.646 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440864 CGQHRLSSSPKJNA-HLQTZPMBSA-N 430.509 0.327 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837488523 IQHKXMDCGSGOJK-HSZRJFAPSA-N 445.491 0.989 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564393 LAPAGIICNOIPEO-RFIJMWEFSA-N 445.520 0.627 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837598445 AXMGXGGADRPRIC-AUSIDOKSSA-N 436.549 0.955 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793080 VLNKGRULHQFGKO-YOEHRIQHSA-N 427.483 0.342 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838477880 OYKYNMGREPTGTQ-AOMKIAJQSA-N 447.488 0.453 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1839174515 HDUYUTSXZVJOOI-QFIPXVFZSA-N 431.489 0.590 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839224147 FVIYQJSJLQUQDV-MMOPVJDHSA-N 433.509 0.339 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839694404 LRKSOARUVCWICC-YCRPNKLZSA-N 434.562 0.158 30 20 ICED C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1839748709 LLYKTRSUWGPQRO-HTAPYJJXSA-N 430.457 0.388 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1839811186 LLZDIWBRPWSOHR-YCRPNKLZSA-N 435.477 0.002 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003958 SHCREIVMTQEQDC-HRTMPFAESA-N 433.505 0.523 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)C1 1840039843 IPDGWEKIGQOQJJ-ZOJXTTQQSA-N 446.422 0.900 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840199961 QKLWHKSQGIFAPE-OXQOHEQNSA-N 444.550 0.066 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840483182 VIHKADNWJRQPSX-HPARJBSBSA-N 442.472 0.376 30 20 ICED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1cccs1 1843418152 NYPDFVJZFCKGIH-SNAWJCMRSA-N 439.457 0.130 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)C2)c(=O)nc1O 1845582891 BAPXBJLSDRRXDG-UHFFFAOYSA-N 447.455 0.523 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C(C)(C)S 1846302050 WVAWSVZGQWKKFH-OAHLLOKOSA-N 439.534 0.880 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1=O 29494873 XEAIWFSRWGRSKJ-UHFFFAOYSA-N 436.852 0.853 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 410163766 ZYSUWLOZKPCKSI-MSOLQXFVSA-N 429.587 0.406 30 20 ICED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC(=O)N1CCC[C@H]1C(N)=O 427127482 VVOWYBKOZNHIBC-HNNXBMFYSA-N 449.581 0.771 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)nn1CCC#N 437065013 LCQJPXAXDMPMME-MJGOQNOKSA-N 448.483 1.220 30 20 ICED CCOC1CC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)(N2CCOCC2)C1 444157117 GBEDXYDZDIZNKE-PDDLGQBUSA-N 443.552 0.838 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c1=O)CCC2 447424389 WUXLGWFWLIKYBQ-UHFFFAOYSA-N 440.525 0.883 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCOCC1 460605323 JSDXUKRYRRRNSL-SFHVURJKSA-N 425.493 0.941 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 464215767 RYTMUKHRDKRJKE-UHFFFAOYSA-N 439.519 0.304 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1OCCC(N)=O 465420810 JEEFGQRMQMRWIF-AWEZNQCLSA-N 437.460 0.278 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1 467612844 KAGRSOKKQXUQDB-ORAYPTAESA-N 435.506 0.993 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)CC1 477646829 FLNJCZVMODLHAC-RBUKOAKNSA-N 438.532 0.863 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 479370708 KDKOZVYLDMZBBN-UHFFFAOYSA-N 427.526 0.984 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 479817536 RDOGAWSRNQFOSK-ZDUSSCGKSA-N 436.515 0.231 30 20 ICED COC(=O)C1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 481163247 INKAXEVKGVPOPX-UHFFFAOYSA-N 436.534 0.570 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 484645810 SMIZWCXBIZPNON-UHFFFAOYSA-N 430.511 0.916 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2=O)cc1 488648818 MDJDZGNAVDXCHV-IBGZPJMESA-N 429.440 0.995 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 490411872 SYAWTCMHYSLNGX-MRXNPFEDSA-N 443.504 0.287 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 506906738 CPVSOVZASMCQFD-QWHCGFSZSA-N 442.519 0.532 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 510505970 ZRKZUSNJSDNEJO-OALUTQOASA-N 425.537 0.868 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 512428628 WWCZSVRKTZWXCG-ROUUACIJSA-N 444.513 0.566 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 524281297 PPWYLLGTDVXNBT-UHFFFAOYSA-N 447.582 0.804 30 20 ICED COc1ccc(Cn2ccc(=NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)[nH]2)cc1 526096712 AZWCTBMLQFWUGR-UHFFFAOYSA-N 436.476 0.569 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)c1C#N 535502455 QTKABUBPYBVAPH-UHFFFAOYSA-N 438.535 0.768 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)CC1 550781285 CRMYNTUIZCGIBT-UHFFFAOYSA-N 426.565 0.935 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 556413947 PIQXBEGHQSHVLH-UHFFFAOYSA-N 428.492 0.766 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 560425957 QNFBJVCJKOEOSL-UHFFFAOYSA-N 447.586 0.067 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2=O)cc1 564606729 VHTYAMSECPFKJW-INIZCTEOSA-N 448.405 0.851 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(=O)N(C)C 604270246 JEQPYVMGLAYPQC-UHFFFAOYSA-N 440.569 0.953 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)s2)c1=O 609416530 OIWYWRYSOMYTDU-UHFFFAOYSA-N 447.582 0.932 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 674480971 QBRVGZCZRQADEN-SPLOXXLWSA-N 427.461 0.378 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCN(C)S(C)(=O)=O)C1=O 726112525 GFCWLJLILPKBHJ-BAOKRACBSA-N 441.579 0.342 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673601 XEKSHKDAJSLOAT-UHFFFAOYSA-N 445.566 0.388 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744036586 DHLONYSFPWDWLX-SFHVURJKSA-N 443.481 0.636 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(-c3cncc(Br)c3)n2N)CC1 750002297 AIADLVAKYILWPX-UHFFFAOYSA-N 436.339 0.686 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CCOC 751137597 FMHWBMRCXIJBIG-UHFFFAOYSA-N 427.526 0.699 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 758109541 ZJODVYOYZGPKIB-INIZCTEOSA-N 429.546 0.632 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O 758588734 JLBGUNGNACDUSF-UHFFFAOYSA-N 433.559 0.394 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cn(C)nc2-c2cccs2)c1=O 769648622 YXEFCNHFYGLQFO-UHFFFAOYSA-N 435.534 0.810 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cc[nH]n1 770831673 JUBCDQIMKPOHKI-UHFFFAOYSA-N 431.409 0.346 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(C)c1=O 771890133 NXRXSVYWRPBKBV-UHFFFAOYSA-N 433.402 0.565 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)C2=O)cc1 785982241 NLOUHHURNKVYMF-IBGZPJMESA-N 443.467 0.672 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1 787920269 XHRQXPGMTOGIBJ-RELWKKBWSA-N 433.534 0.745 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(N(C)C)cc2C(F)(F)F)c1=O 794644154 BZXSLJRPANGHDT-UHFFFAOYSA-N 434.443 0.877 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 799145949 RGIDCLYTRIRRKA-QFIPXVFZSA-N 442.520 0.005 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 799284881 QAQVUMAMNWZNPV-SFHVURJKSA-N 430.505 0.189 30 20 ICED CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCNC1=O 799847289 UNPWDUYIBFFEKW-JZRFMTABSA-N 435.506 0.175 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 808174026 PEEVYGVKERQJAX-SFHVURJKSA-N 441.488 0.861 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 812932736 DQYGCOJFPUFDHY-UHFFFAOYSA-N 443.525 0.235 30 20 ICED Cn1cc(S(=O)(=O)NN=C[C@@H](CC2CCC2)NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 814883512 PYTLJNGJFQGNAZ-CYBMUJFWSA-N 443.526 0.432 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCO1 815474428 OJLUIPUDGPIISD-SECBINFHSA-N 430.158 0.889 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 816744797 DDYIQBIPXJYPED-QUCCMNQESA-N 448.589 0.905 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1 918238691 LNZPBJWSNAPFDQ-QJOMJCCJSA-N 432.506 0.841 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(N)=O)CC2)cc1 918429915 KNAGJRPVAVWENW-PTGBLXJZSA-N 449.533 0.552 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)OCC(F)(F)F)CC2)o1 919558609 NRTBQGLTARFOTI-UHFFFAOYSA-N 433.343 0.335 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC#N)CC1 1116167115 VGPCEISFKWFXTH-MRXNPFEDSA-N 426.926 0.541 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1303803329 MAAMFZYLZOVTNP-CVEARBPZSA-N 441.602 0.862 30 20 ICED C#CCN1CCC(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 1317967446 UKGCAFHZPGCSIE-UHFFFAOYSA-N 432.546 0.856 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 1324965619 JQXQALRZBOCYAX-SJORKVTESA-N 428.445 0.802 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1360681284 PBMBURLFZKPHIP-ZQIUZPCESA-N 429.522 0.051 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 1454263119 YKBSMFPLWJWAPK-OAQYLSRUSA-N 425.533 0.920 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(c2ccncn2)C1 1471308076 IXRJCOCVUNJQHV-MRXNPFEDSA-N 428.518 0.935 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1512405792 FTOSLNWQTYXVMH-XOBRGWDASA-N 444.517 0.033 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1541946465 WFGZCQOGUNRUAH-RRFJBIMHSA-N 437.526 0.513 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CCN1S(C)(=O)=O 1698453721 MFAALEZDLSVEAL-AWEZNQCLSA-N 441.521 0.464 30 20 ICED COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1770304129 QVJFICYDNYHXNI-IRXDYDNUSA-N 439.476 0.397 30 20 ICED COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1771125172 TYIFQLRGQYVLFJ-FOIQADDNSA-N 433.488 0.451 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778257253 HWGOBCWKRFOZSN-DEOSSOPVSA-N 439.560 0.568 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779099998 QRSWPFIXZHLAKQ-YBTWFPHOSA-N 432.477 0.819 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103739 YCCBGNSNWWXVIC-XLEFSIPOSA-N 438.525 0.650 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154437 HBPMSUFFZTUQMB-SBUREZEXSA-N 446.500 0.870 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935814 TYSMBJAYSLVFFP-OAQYLSRUSA-N 428.514 0.135 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1781797161 CUSSEWOHQRUIMG-SNUQEOBHSA-N 428.436 0.310 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1782181199 YYBWFLNQCBYUBZ-VVFCZOMOSA-N 441.575 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)ccn3)C[C@@H]21 1783531791 XFADGDLQOGPRLY-XNVPICPQSA-N 428.489 0.542 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1 1785077159 RIMWQBVPNFKXCV-QRQCRPRQSA-N 439.472 0.309 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1785575529 CZAMVYSSAXVNDB-IMRHEYAYSA-N 448.564 0.875 30 20 ICED N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccnc1 1786929235 DWQQEKPKGPZXOI-MVLSSTSQSA-N 442.564 0.923 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](OC(C)=O)C(C)C)[C@H]2C1 1788476112 YUEJHZCRQGLRIU-VJPOKWJSSA-N 435.521 0.412 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1788628420 AHNOJNRUKWAKKN-BQFCYCMXSA-N 428.489 0.474 30 20 ICED N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)c1ccccn1 1788658004 KUHNBBAMZJNAOJ-YKCUFVOTSA-N 445.520 0.590 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790591786 WJDIBBKIQVWTHI-VGWMRTNUSA-N 435.481 0.342 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1792489310 POUGNBDIMCFIFT-XTLOUAGDSA-N 425.445 0.284 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NNc1ccccc1 1792503977 JTFSWCNFBVKQDJ-YGWRDHKESA-N 441.532 0.440 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)cc1 1792558949 YKVHOLDMMLIATL-XEMDLRDOSA-N 433.468 0.498 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1796027184 HIQKSYZESRJDKG-IECFSIQFSA-N 436.553 0.905 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797811533 OGPGQOXLNPXTLJ-OFQDYVNPSA-N 433.465 0.217 30 20 ICED CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1797838814 MZZXWODEYZUFAQ-BCDXTJNWSA-N 435.532 0.934 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1799304475 VEIRGJFFZKRXTI-UPHUGPLXSA-N 441.488 0.371 30 20 ICED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799710857 HYJYQKZXVYIBNI-JLVBRIDZSA-N 449.305 0.660 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn2c1OCCC2 1799935113 AVDRXJKDVAPKIR-RFTGSIGZSA-N 447.492 0.398 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990092 RWRKRZGOLQHCJC-RACNMONISA-N 428.489 0.441 30 20 ICED 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)no1)C2 1802125801 VAEUNAMDUYGTOX-LOUJCGABSA-N 448.476 0.500 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804169809 BPCAAPMNZOQQRM-KXBFYZLASA-N 431.518 0.558 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810328569 KCQKWTWBLMDOAK-DYESRHJHSA-N 437.500 0.662 30 20 ICED Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2nccn12 1812879162 CEYDQGZXSSUGCC-OXJNMPFZSA-N 432.440 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813572025 VZXRVFRRVLAJNN-GFCSNGQLSA-N 448.545 0.381 30 20 ICED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)[C@H]1SC(=N)NC1=O 1818101758 ZDZYDDLFXMWUGN-ZVWUFJHRSA-N 432.462 0.292 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493254 DTWFKPMVNHJGCA-MNOVXSKESA-N 429.458 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1823745387 GMDOEZNGTPJIGT-TZNMXKOXSA-N 445.520 0.063 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826319901 VYNJCVANERUXEL-VXGBXAGGSA-N 433.490 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)COc3cccnn3)sc2C1 1826755553 JSDVRZAKDJSPBK-WSROAFLRSA-N 442.501 0.783 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1829630105 RLAXNBQFPGXETE-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C1(O)CCC1 1829741572 WCUAOLJPUAELLB-DXBMSLSTSA-N 433.505 0.706 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1831387468 JDBVWUXXNVTJCZ-FHJLPGHOSA-N 430.501 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1831403040 VPVBBBGQVGARGP-FDDCHVKYSA-N 429.517 0.854 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831406051 QYFAHRCWUWPWFH-NRFANRHFSA-N 434.493 0.538 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831427513 RYRVCOKHDMHTDP-OPAMFIHVSA-N 432.521 0.570 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831492238 JDVJHMNVBIUTIV-XLIONFOSSA-N 433.534 0.754 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831598017 OGXVLKUIQAHNSN-OPAMFIHVSA-N 447.919 0.659 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832050578 MHLVKPUDWVGWSX-BXTJHSDWSA-N 443.566 0.771 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1832456662 UUEOABDSACIYEA-FQEVSTJZSA-N 431.518 0.719 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(F)(F)F)CCO2 1834114966 GKSUMLQUNBGCJO-GOSISDBHSA-N 441.362 0.258 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834231017 XQIBMWPJFSWQNJ-QHCPKHFHSA-N 437.500 0.995 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594459 UZYKPWDXKXLRLW-QHCPKHFHSA-N 444.484 0.408 30 20 ICED Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714871 XYABAMPHSOZKTI-UHFFFAOYSA-N 430.557 0.282 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1835095720 ABJVERXQJWHWSB-XMMPIXPASA-N 436.512 0.779 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098216 BOIDLAXHQPPJCL-XMMPIXPASA-N 438.528 0.776 30 20 ICED COc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)ccc1[N+](=O)[O-] 1835358739 JMNBGQIRVWKXTQ-NRFANRHFSA-N 446.460 0.906 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)n(-c3ccccc3F)n1)CCO2 1836345000 KYXNUXWDJURWGB-QFIPXVFZSA-N 442.447 0.723 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247688 BTNFRNWZNLWZMZ-YZKSSJSGSA-N 425.551 0.232 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1837394600 DSHHURFGWVKUAS-AUSIDOKSSA-N 446.548 0.791 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1837395221 TWWRRUPSKDEEDZ-CVDCTZTESA-N 446.548 0.791 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837402929 MGDSMCMEZPNGAB-AVRDEDQJSA-N 434.537 0.693 30 20 ICED Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441210 XEVDJCNDFHBPGR-DHNIJCFSSA-N 429.521 0.932 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837443707 GPHJAWZEPBSXSE-UQQIOGDDSA-N 433.484 0.762 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccco1 1837488943 VUVXXYVRZHGATA-HSZRJFAPSA-N 444.484 0.617 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837769939 FMANTUOADOHRPU-RCCKNPSSSA-N 442.582 0.501 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949830 WVDJANFJRJOEDE-JOCHJYFZSA-N 428.489 0.543 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1839000596 SHISXJRKGJZMNS-BNOLWBGWSA-N 449.454 0.893 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(Cl)c1 1839423565 KCSLYEJFUBYLOH-RXVVDRJESA-N 430.892 0.810 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1839452891 CDOWLSKHQBSSHK-NRFANRHFSA-N 425.445 0.679 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839844065 DDKILTZLZPPYQN-UGKGYDQZSA-N 434.581 0.435 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)[C@@H]2C1 1840009969 BSAVQHMGAVFQIS-UTAOTPEMSA-N 448.520 0.469 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840177395 YPINUWYKQMNMCI-FCHUYYIVSA-N 438.521 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840450284 YZQFFQHTHUVGDV-HMFYCAOWSA-N 431.489 0.344 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840494512 DEDNOPZZDBTCGC-QFIPXVFZSA-N 433.505 0.769 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1841023916 GGSUPMIIJCWKIJ-SQNIBIBYSA-N 449.548 0.846 30 20 ICED C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1845180978 GGNUTZJOTMWHKF-ZIAGYGMSSA-N 442.582 0.926 30 20 ICED Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 31497005 JTMJCACLNDZSTC-UHFFFAOYSA-N 427.442 0.843 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 105947437 UVDNPEGMFXRBDO-ZIAGYGMSSA-N 427.552 0.530 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435171777 AZYUZBMPRBNQGR-UHFFFAOYSA-N 432.424 0.936 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 436127428 KZJATJZGGPWTHT-CQSZACIVSA-N 428.898 0.524 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 443547142 GLLADZMJRDMNPV-INIZCTEOSA-N 444.582 0.775 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@H](C)O)[C@H](C)CO)nnc12 443804930 VSTVVDGFEBUYSL-KGLIPLIRSA-N 431.518 0.913 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 447754549 AXPOFJDPRKWLJH-UHFFFAOYSA-N 434.971 0.945 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 460616928 YGVBAWBRBRBJFZ-UHFFFAOYSA-N 443.467 1.371 30 20 ICED CCC[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCN1CCOC 460710655 ZHQHXYAHHJWNFQ-SFHVURJKSA-N 439.520 1.345 30 20 ICED CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460749947 UITCZALXCFAFSS-CABCVRRESA-N 447.569 0.921 30 20 ICED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C#N 461196407 OPMBYBYHNPVGKM-UHFFFAOYSA-N 430.515 0.822 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(Br)c(O)nc1=O 465184114 JKYJMIXTGKCXJM-SNVBAGLBSA-N 434.254 0.110 30 20 ICED COC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472849627 AWACEFUHBICPDD-UHFFFAOYSA-N 428.424 0.813 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 480356153 TZYSLBBTIFNIGZ-INIZCTEOSA-N 434.499 0.436 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 484842529 NDCPEIBNHDJAIC-UHFFFAOYSA-N 433.490 0.521 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 495386095 RTHTZTYNDNLJLU-SFHVURJKSA-N 435.488 0.909 30 20 ICED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502268329 GGJJKNDOCSSPNX-PBHICJAKSA-N 443.460 0.765 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1CCC#N 504530410 UBMMBGXJIJKJRM-UHFFFAOYSA-N 444.517 0.718 30 20 ICED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 506944786 MBVQELYOZCHJQU-UHFFFAOYSA-N 431.518 0.904 30 20 ICED C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508505215 MPONXTNYRXBXCW-HNNXBMFYSA-N 426.477 0.685 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCc1cccnc1 512776062 IBDRGPWZGSFZOP-UHFFFAOYSA-N 434.525 0.569 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 524435642 DGARMSVDJPWHDQ-UHFFFAOYSA-N 435.387 0.985 30 20 ICED N#Cc1c(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)sc2c1CCC2 533215734 MJCCYQFULXSUFN-UHFFFAOYSA-N 445.545 0.440 30 20 ICED COC(=O)c1cc(I)cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 534832176 SRAGYECTCXPACW-GFCCVEGCSA-N 443.197 0.767 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539361906 IPUYQIXTOHESBG-IBGZPJMESA-N 437.541 0.502 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)n1 544863825 CXJCJCMPOAUISH-UHFFFAOYSA-N 443.467 0.897 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)n2)c(F)c1 551193470 CFMPXVBYFUKVER-UHFFFAOYSA-N 444.430 1.437 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 553527542 HXYPQGXXKZIHBF-PZJWPPBQSA-N 441.576 0.602 30 20 ICED C=CCN(C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)[C@H]1CCS(=O)(=O)C1 555859504 CWBZSQDQPZDGRQ-LBPRGKRZSA-N 429.458 0.904 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2=O)cc1 557421180 SEJPTMIJIDVTKP-IBGZPJMESA-N 433.468 0.233 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 568657464 SRLJRBUQDIZZTE-QGZVFWFLSA-N 428.541 0.624 30 20 ICED N#C[C@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCSC1 603888175 PVDXXKLTHUPILA-LJQANCHMSA-N 436.559 0.815 30 20 ICED N#Cc1ccc(N2CCC[C@@H](N3CCNC3=O)C2)nc1N1CCC[C@@H](N2CCNC2=O)C1 618151484 WHKYGKDEQRFZSH-QZTJIDSGSA-N 438.536 0.941 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCNC3=O)nnc12 670430074 DAMKSGUFUGRWHU-CYBMUJFWSA-N 426.502 0.965 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 740519438 YJZKOYNDMYTBRR-UHFFFAOYSA-N 441.531 0.137 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)C1 741208869 LFUPTPMNIKHTFM-UHFFFAOYSA-N 428.493 0.681 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 744032845 OZOVZZPDUCJGKT-BNDVLBTASA-N 441.440 0.904 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 751113297 ITOKKUOTEYQLLZ-UHFFFAOYSA-N 435.458 0.743 30 20 ICED COc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1C(N)=O 755538849 VHYUQRBQMITDJM-BXUZGUMPSA-N 431.449 0.608 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)c2)c1=O 758060412 AHIYOTICLPTROL-UHFFFAOYSA-N 436.537 0.219 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758097011 ZBYWVSVDBUAUBE-INIZCTEOSA-N 429.546 0.723 30 20 ICED C#CCN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 758692105 HVMZNSZJVALRQY-CQSZACIVSA-N 429.476 0.200 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 759243411 SXAJMFXSEAGEBT-LBTDBDNISA-N 441.440 0.862 30 20 ICED C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 760568108 RAXZZUSDYPWOBN-QAPCUYQASA-N 447.513 0.940 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)cn1 765143906 CEMOHCPAHLDLDS-UHFFFAOYSA-N 427.486 0.517 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 766370772 ZUDJWNKYPJMRRS-HGNXGAGXSA-N 437.522 0.556 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)cc1 767238392 VQYGXCGCDHSNOR-UHFFFAOYSA-N 441.421 0.245 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 767632079 SSAUNMPMRTXYOQ-ZIAGYGMSSA-N 445.501 0.996 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768747948 DEHUITURQQXAHJ-RTBURBONSA-N 436.465 0.805 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 773206326 IESBBKARNIIMQS-UHFFFAOYSA-N 434.452 0.526 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 774405856 XALYYPALFYUVBJ-UHFFFAOYSA-N 425.449 0.872 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250214 PORJZOXHJAMZMR-UHFFFAOYSA-N 446.535 0.591 30 20 ICED C[C@@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)N(C)CCC#N 782340588 ASNPXYVIICUJLZ-XPKDYRNWSA-N 427.454 0.253 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H](C)CO 786023837 YFKROGQVBYMNFM-STVHITGKSA-N 440.522 0.028 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786429528 WXOYNEACDQMNCM-UHFFFAOYSA-N 440.504 0.957 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1F 788338173 HMBVGLXTOLKXKG-UHFFFAOYSA-N 428.424 0.813 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 790420130 FSECRPKTUBEGMF-UHFFFAOYSA-N 428.514 0.522 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 801343409 VOJRYQDQVIXOOZ-HNNXBMFYSA-N 440.481 0.969 30 20 ICED COCCN(C(=O)COC(=O)c1cnccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 805718755 XFUNJDJEKGMBJG-UHFFFAOYSA-N 444.448 0.290 30 20 ICED CC(C)S(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 808364801 XSKAWYVGIVCHIN-UHFFFAOYSA-N 428.536 0.397 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)n(C)c1=O 916910696 SJIFLUNIIVUNMO-NSHDSACASA-N 428.836 0.825 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312627647 WOJMWYUDWRYBMY-LJQANCHMSA-N 440.504 0.039 30 20 ICED CN(C)C1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319365321 QDFLBLCYZJBEOB-LJQANCHMSA-N 426.521 0.905 30 20 ICED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1616821274 RIBIMPZVJUZVNK-UHFFFAOYSA-N 434.497 0.222 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCCS(C)(=O)=O 1693751427 XYVDCCARDGYHIU-AWEZNQCLSA-N 430.538 0.967 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696501531 HJDKBZUENDPPDU-MRXNPFEDSA-N 432.554 0.399 30 20 ICED CS(=O)(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1698306184 ZSNHYMFYLPVIPF-ZDUSSCGKSA-N 438.535 0.433 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1722556708 RSDMVKJXBPLLOP-HNNXBMFYSA-N 441.945 0.832 30 20 ICED COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730443674 ZYNOJVKYCIIZJS-HNNXBMFYSA-N 443.556 0.939 30 20 ICED Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1742302655 IKHGJFAAWBTZIL-QGZVFWFLSA-N 425.493 0.884 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1748278463 MWPWTEOTXGEHOA-KRWDZBQOSA-N 425.493 0.970 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1751854069 XCTRSNURLJEXRX-IRXDYDNUSA-N 448.553 0.150 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1778973365 JDWWCJFAXDOLJA-IERDGZPVSA-N 448.476 0.160 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779314664 JHXRMDRMSRLGQM-UGKGYDQZSA-N 444.488 0.161 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(=O)n2O)C3)c1 1780179325 YSHRLFOXEGPPQX-DYESRHJHSA-N 425.445 0.727 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)NC=O)C2)c1 1780723667 ANPXRVIMSJTRDH-YIFZBPKDSA-N 428.489 0.829 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1 1781012272 DEXCZTUYIMSBJM-XFGYDDDFSA-N 426.517 0.603 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)/C=C(/C)C(=O)O)CCO3)C2)c(C#N)c1 1781175514 MLXPUSDVMRMNBT-JBOCTPFWSA-N 427.457 0.970 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1782629292 JVJCSZRJWMULFN-UNJYKCMZSA-N 436.472 0.918 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782811825 BWIMXVWNHAHRPG-SSPYTLHUSA-N 425.529 0.865 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784439266 RMUULYBBYNNNFR-OWSLCNJRSA-N 445.582 0.277 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1784512191 DBEHUQUUBCVNAQ-QFIPXVFZSA-N 432.521 0.919 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1785273849 CZGQCOBVRLRETE-FQEVSTJZSA-N 433.848 0.830 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1786700798 UTBMOZARMKVSQH-QRFRQXIXSA-N 427.505 0.815 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787386232 XXPUWNVHVHBDQT-QSPRXWTASA-N 443.504 0.601 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1789890047 AVUGKPUAFFNXBA-ZQIUZPCESA-N 446.460 0.278 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)C[C@@H]21 1791076670 CKLUIVKOZYPSPG-YBDOCMJZSA-N 426.494 0.942 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791280350 LGBJLXYLSKAWFQ-IAGYGMIVSA-N 426.510 0.565 30 20 ICED CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791307025 SWKTVBXQOXPABD-VJANTYMQSA-N 438.590 0.779 30 20 ICED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1 1792638464 AGSFECUESLVAGP-MUJYYYPQSA-N 432.444 0.179 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)c1 1794208842 WOZFAVYQWNMEAB-JYYAWHABSA-N 425.445 0.417 30 20 ICED CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597834 GZYSYGXIQHWIMI-HGKCTWBKSA-N 428.537 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccnc2c1 1797053787 BHDMNEOAVHLADS-GWUNTCDZSA-N 435.484 0.691 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797062431 JHGJZEVHFBKYIP-MPTYRVRUSA-N 444.513 0.306 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)c1 1797240010 XNIQRKGRCMXDHM-JDLLUZBXSA-N 439.560 0.764 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797691140 QYDYRMUKNDTQEW-RMYQPGKMSA-N 441.532 0.788 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)cn2[nH]cnc(=O)c12 1798463897 KCVPIIAGZOMTPW-RMFSNUHRSA-N 445.479 0.586 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c(C)noc2N)C3)c1 1798577059 TUPHQVROQGEOLN-JLVBRIDZSA-N 425.445 0.963 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922468 UHOGHVARTTUPHN-DEYWJSPQSA-N 448.483 0.370 30 20 ICED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(C#N)c1 1799708199 MLLZIZZEKRHGCL-MIFYACCESA-N 449.305 0.612 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)c(Cl)c1 1799752108 YVOMKJXYYMWGEN-ZDUSMZPESA-N 448.907 0.065 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801036 GTRQATHBZIVYEP-ZMMAXQRCSA-N 430.461 0.134 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)n1ccnn1 1800264177 HTGKEJXASIRSKC-AQBJHWSWSA-N 429.502 0.929 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)c1ccc(O)cc1 1801055868 PYEPCNNBNSBFPI-CROMWVBPSA-N 437.500 0.771 30 20 ICED CCOc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cnc2c1cnn2C 1801988623 FZEJJPGFVGEICB-BTTYYORXSA-N 425.445 0.707 30 20 ICED C#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]1C[C@@H](O)C1)C2 1802125762 RNPAWESZBMGOFX-GVLSGGHMSA-N 435.521 0.264 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807720038 GMTCBQTWQIQFKP-QTDGGUCWSA-N 449.511 0.761 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccn3c(O)nnc23)[C@H]1c1cccnc1 1808194994 UPTKUZRXVIABGM-KBXCAEBGSA-N 434.412 0.238 30 20 ICED O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815597922 ZHQLCYXZBZDJSL-MNPVBQOISA-N 441.448 0.666 30 20 ICED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC3)CC1 1818798102 AFIYGCPJLZQJRX-HNNXBMFYSA-N 447.609 0.584 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821604240 SDIWBHIIXHIAAQ-IUODEOHRSA-N 430.490 0.720 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NNc3ccccc3)CCO2)C1 1829802976 BLJVMJOVFFAFRX-DNVFCKCGSA-N 444.532 0.486 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1829892457 WELGHBGNGSFKIP-HSZRJFAPSA-N 426.517 0.970 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1829960319 MZFDUCRSEAAKNA-AUSIDOKSSA-N 440.500 0.349 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458718 XIUUSSJSKLDWEY-JOCHJYFZSA-N 438.488 0.390 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831023618 KMISZGMAOPIWFN-JOCHJYFZSA-N 442.472 0.389 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831124871 FGDZRGZDBKFBKK-QDLBXXMRSA-N 439.509 0.587 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1831397843 XXSDQQRYBTUTLS-WZONZLPQSA-N 429.517 0.861 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831418890 HTCRWVXZDFYKGF-HTAPYJJXSA-N 432.521 0.809 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831422109 ZZRDMQIPQXZBEB-YCRPNKLZSA-N 437.468 0.890 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831491345 AEGGLHPLYVPRRV-YLJYHZDGSA-N 433.534 0.754 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1831628815 CQIBCVSUQALIQZ-HXOBKFHXSA-N 445.516 0.848 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120768 PXOWQHBFFAKEFE-QSMYGXHJSA-N 447.492 0.005 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3C)CC2)CC1 1833463167 AIYQNKCEQYZSFZ-QGZVFWFLSA-N 428.533 0.609 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1 1833467397 TUBOOAOFHZUGRL-QGZVFWFLSA-N 438.532 0.953 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192327 FEYZBSIKRLSKEC-UKKLRFBMSA-N 431.493 0.329 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cnn1C 1834424997 RZBWHEFGOKBKPY-LWOHLBADSA-N 429.477 0.511 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834881550 GYKIAHYHZBIHCL-UHFFFAOYSA-N 429.569 0.737 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1834919120 VYYAPKUGHFDIFA-JLTOFOAXSA-N 445.463 0.625 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3noc4c3CCCC4)CC2)CC1 1834996699 VMOVAPZRRLDFKH-UHFFFAOYSA-N 428.489 0.827 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1F)CCO2 1834999205 CTMCCXYOJSSERG-YLNCNTMDSA-N 445.491 0.683 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835096910 RRGKRPBBQUOOMY-GCJKJVERSA-N 441.576 0.561 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c21 1835345357 KZFMSPIEEMYSQP-JOCHJYFZSA-N 439.472 0.653 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(OCCCO)cc4)C3)C2)CC1 1835345515 OQNCEBLXXQTCHU-QHCPKHFHSA-N 443.500 0.822 30 20 ICED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752580 PLHIJFCKGHORGD-UHFFFAOYSA-N 446.592 0.783 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778807 SYLNTPVCGHFMIX-GCMSVZMUSA-N 431.537 0.782 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)c1 1835793966 INIXJWHFZWPJMI-FQEVSTJZSA-N 427.486 0.981 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccc1C=O 1835959728 UGIDFXZKWQNENQ-ZHRRBRCNSA-N 439.472 0.832 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1836861750 GYXMGFCASIBOGT-QFBILLFUSA-N 440.562 0.601 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836927238 SQEBVUIAJPTCHT-AOMKIAJQSA-N 426.473 0.671 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836958540 NOSOPWDFDDXJQO-QFIPXVFZSA-N 426.448 0.957 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1837394921 KYKUEMJLSYMVSX-QVKFZJNVSA-N 438.500 0.754 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837402743 CZBDYRHUJOIXED-CVDCTZTESA-N 442.516 0.977 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1839174718 SRKWJLKPYPFJBO-NRFANRHFSA-N 425.526 0.340 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839175395 GVJPZZNYJOZMJV-QFIPXVFZSA-N 448.472 0.677 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839516530 YNOQVEZPZWOFQY-JOCHJYFZSA-N 448.520 0.718 30 20 ICED CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043005 BSCTYTZMPXYVAF-NRFANRHFSA-N 432.477 0.184 30 20 ICED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044642 PJHOEYVYJCXVAC-AOMKIAJQSA-N 432.448 0.549 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840171396 DRYYRXJAXCHYJA-HRAATJIYSA-N 441.525 0.295 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841298719 FFVINNORJKWDHO-OAHLLOKOSA-N 437.541 0.357 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C#CC3CC3)C4)csc2n(C)c1=O 1845013697 YGPHANXACMJUDB-UHFFFAOYSA-N 440.525 0.458 30 20 ICED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 63420346 MUBQCVFNCRHMDE-UHFFFAOYSA-N 439.428 0.963 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 409539149 RIXVAZNWMYGVLL-QZTJIDSGSA-N 429.587 0.215 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C#N)cn3)CC1)OCC(=O)N2 429829871 QRTALXMFBWTWFH-UHFFFAOYSA-N 429.458 0.804 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](CO)COC(C)C)cc1 433632711 OWOKZFOPYJIBSB-INIZCTEOSA-N 427.523 0.676 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 443030532 YINBNIHKZUXDRH-ZDUSSCGKSA-N 431.488 0.624 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCO1 461170449 OMQXPBZTHLULEJ-HOTGVXAUSA-N 439.524 0.972 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1-n1cnnn1 465403364 KMBYNOMOYFIRDN-CQSZACIVSA-N 432.448 0.308 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477291747 RETPWJOKGFKHNA-CQSZACIVSA-N 446.460 0.775 30 20 ICED COc1c(Br)cccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 478876270 YRKJUWFJSDFBIP-UHFFFAOYSA-N 434.315 1.000 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)s1 480962974 NHZFAFYFDGXDQF-UHFFFAOYSA-N 428.495 0.798 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)S(=O)(=O)c1ccc(C#N)cc1 481651305 PWZAVVQFAXGNAY-INIZCTEOSA-N 430.490 0.224 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc3c2OCO3)c1=O 484484061 FKEVHUFOXZXMIR-UHFFFAOYSA-N 441.534 0.903 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)o1 489015083 PMTLSZXWKRIFPU-HOCLYGCPSA-N 444.509 0.937 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)n2)cc1 492650089 ICNVNNUZTWOMBB-UHFFFAOYSA-N 443.423 0.549 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498991534 PEWQDPVSUZLQMA-KCXAZCMYSA-N 438.575 0.211 30 20 ICED CCn1c(N)c(C(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)nc1=O 500577100 MNTQVUJZSXLROD-UHFFFAOYSA-N 433.472 0.976 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 501844185 ODVZAGWTWFNEGE-UHFFFAOYSA-N 443.485 0.264 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 506306478 RJVPLHYSNPUFMS-UHFFFAOYSA-N 430.486 0.296 30 20 ICED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513974574 PUXLBFDHVYEFRZ-QZMQVMSPSA-N 431.500 0.859 30 20 ICED CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516109824 VAOCJTDJKRLTBV-ZWKOTPCHSA-N 425.489 0.293 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 523380601 KWXGDJLXGUUMQM-UHFFFAOYSA-N 434.474 0.064 30 20 ICED C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 532711508 OVNOYXFDOLDCNZ-SNRMKQJTSA-N 438.525 0.548 30 20 ICED N#Cc1ccccc1CSCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553250574 DRVVGVNPUZAYPW-WVSUBDOOSA-N 442.501 0.655 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCC3)c2=O)cc1 555708203 UYIHIDYELIPGQW-UHFFFAOYSA-N 443.550 0.820 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCOCC2)cc1 606748656 BUGMIIWPYSKONW-INIZCTEOSA-N 438.550 0.516 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c1 726376389 HFNSAPSHEOJTGG-UHFFFAOYSA-N 438.469 0.547 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731655158 ISZNPBWIALGBMA-UHFFFAOYSA-N 435.550 0.174 30 20 ICED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830043 KILNAPPWKCAFTP-WFASDCNBSA-N 429.433 0.929 30 20 ICED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746225470 PTTQSFHALHVNTJ-HNENSFHCSA-N 435.525 0.914 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C#N)C1 749313092 JYTQLWVFTVMDLN-LBPRGKRZSA-N 430.508 0.468 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 758074874 CEGUIROOCHTYCU-UHFFFAOYSA-N 429.885 0.607 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758084548 BGPMYMXHSIMJHF-WMLDXEAASA-N 431.898 0.577 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 760862978 FPOJIZIZSXETQB-UHFFFAOYSA-N 427.242 0.504 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 761033043 PYWYLYQELBQVAH-UHFFFAOYSA-N 430.324 0.806 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2csc(CNC(=O)c3ccccc3)n2)CC1 761037190 MKEKKCQIHSGUOP-UHFFFAOYSA-N 433.559 0.658 30 20 ICED COC(=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 775574086 AGNGYAQSYOBGES-HNNXBMFYSA-N 436.534 0.601 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCCC1 779315205 FGVLNOYNVLWISP-UHFFFAOYSA-N 431.492 0.444 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 782478195 JHXWMCQVTCWDIH-UIFJYSFJSA-N 449.533 0.565 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 783546084 YZEPYRFQOIQDIW-CYBMUJFWSA-N 448.519 0.326 30 20 ICED Cc1nn(C)c(N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c1C#N 788274451 HNFWAKSEPASFEK-UHFFFAOYSA-N 442.524 0.398 30 20 ICED CC(C)C(CS(=O)(=O)N(C)C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 794904502 IXOAUEJBKGYVJI-UHFFFAOYSA-N 445.611 0.938 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)n1 806705961 CZCBHDQUEHYGIC-OZWAEMERSA-N 432.521 0.929 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1 915386613 PFQDXNZQZXOHNA-UHFFFAOYSA-N 427.504 0.328 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(N(C)CCO)cc3)nc2)CC1 916333184 OZSYQKQFTNKMQL-UHFFFAOYSA-N 432.550 0.892 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(C(=O)N2CCOCC2)c1 917232721 RFXFFXBWEYDSKV-UHFFFAOYSA-N 428.470 0.836 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 918729927 LBDAQXAFGREQNH-UHFFFAOYSA-N 430.917 0.457 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 919096530 BPGIMLIOEHXFHX-UHFFFAOYSA-N 438.488 0.774 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1290986177 SRHATJHHTPYDEU-ZDUSSCGKSA-N 447.446 0.777 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1297954586 LFZOKWWQXTZVNO-CKJXQJPGSA-N 446.531 0.614 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1303824034 UDANBSUKCDXJCX-ZDUSSCGKSA-N 444.583 0.453 30 20 ICED Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1304292954 YTWKWPUZVJVPKF-INIZCTEOSA-N 434.522 0.752 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1313994807 SALUFDOPIZXZQH-UHFFFAOYSA-N 431.522 0.713 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1316529956 DZNBSQJJSDRTCZ-INIZCTEOSA-N 431.447 0.719 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1318156584 KPDCBGXEYDDRBE-YSVLISHTSA-N 433.486 0.488 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)CC2=O)cc1 1319434399 VFIORDVDMCGOQQ-GDBMZVCRSA-N 433.511 0.924 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1321819100 RBADSAWFMBEZQZ-JKSUJKDBSA-N 433.490 0.303 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1504888143 JKZLWWOOGGTTAN-BRWVUGGUSA-N 441.554 0.598 30 20 ICED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1541049573 URAOZJUMEMURDG-JOCHJYFZSA-N 440.504 0.985 30 20 ICED C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)N1CCS(=O)(=O)CC1 1611544845 UGVSOIAMSBFJTH-LLVKDONJSA-N 444.307 0.461 30 20 ICED CCOC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067567 WKNXKEYZAMUFJE-INIZCTEOSA-N 438.531 0.923 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1624985850 CJJOLRMVYFQKCQ-ZDUSSCGKSA-N 427.490 0.675 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1749547179 LOPPAMAKNZUXCV-RHSMWYFYSA-N 434.522 0.606 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778085254 IWXBUDSVUGQBHG-IUKKYPGJSA-N 449.548 0.848 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779467461 PFQLXUYNVXOUGO-AOMKIAJQSA-N 443.504 0.837 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)c1 1780091490 ULAQFJFKKGPROO-LYHRCORUSA-N 440.500 0.830 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781056141 ZKEFNVQZDGLZQU-ZHSNQQFMSA-N 433.549 0.790 30 20 ICED Cc1nc2ccc(F)cn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781275970 VHXCBVARAPVBAD-OPAMFIHVSA-N 442.447 0.997 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1782009759 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Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c1 1787115821 HVKIGFXDHIRILU-GTYUTKQKSA-N 433.509 0.700 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676505 DTKPQSAKQYNUEO-RVRDVXBQSA-N 428.489 0.537 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCN(C)CC4)C[C@@H]32)c1 1790270245 IXUYSUGQSFGLKL-BVSLBCMMSA-N 439.560 0.707 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1cnnn1 1791690256 PELOCXSULNRVRY-XPYUAMARSA-N 439.476 0.164 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NNc1ccccc1)C2 1792486384 KGFOLJMSBSXELK-YGWRDHKESA-N 441.532 0.440 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1793341451 SHGYHYLRORPRHK-RMRDIRSESA-N 434.514 0.332 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1793354492 XEJOGXRTZXEUEC-ROPHOZQPSA-N 429.517 0.939 30 20 ICED C#CCO[C@H](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 1793569610 CNYOEXIVDPWTMB-RRQVMCLOSA-N 449.548 0.891 30 20 ICED CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597541 MUYHXJWHNAOUBF-ALXJQNPVSA-N 429.521 0.965 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNc1ccccc1C 1795695649 PDPDJRPJMQWSLK-ROAZTASUSA-N 426.517 0.855 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 1796563416 WKVXKMANKWEYJS-MVJTYMMSSA-N 431.489 0.645 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)cc1 1796958451 AGPSLIVQDUCEID-BCDXTJNWSA-N 431.456 0.707 30 20 ICED 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]1C[C@@H](O)C1 1797152768 FKWOVIGOCDNKBW-GVLSGGHMSA-N 435.521 0.264 30 20 ICED CN(C)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1 1797808681 MPTMXMIOVBIEKJ-MDUKNCKQSA-N 445.520 0.880 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1799392590 AFDGKSBPGICKFE-MPTYRVRUSA-N 444.492 0.335 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)COc3ccc(Cl)cc31)C2 1801987134 JKGQTBIZDSFWBC-QDMKHBRRSA-N 445.859 0.792 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1802126511 HZWWBAFIHORQSA-DFGXFYAUSA-N 443.504 0.596 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2nc(C)no2)[C@H]1c1cccnc1 1807516598 AWFPYKBCNMVSDK-GUEKAFECSA-N 438.488 0.880 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1813338192 GJRJZIXUPJFAPB-CZTZKLFOSA-N 436.516 0.971 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)CCC1 1828009327 ORHQAPXJVGYCGY-VIFPVBQESA-N 439.461 0.189 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1829892458 WELGHBGNGSFKIP-QHCPKHFHSA-N 426.517 0.970 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1830410916 WWBSFOMEPBVTKT-DOTOQJQBSA-N 435.525 0.959 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830877763 OARWOGWWJVTHKU-IFMALSPDSA-N 431.489 0.410 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831438379 OWRJPNXYXVYNQN-JPYJTQIMSA-N 443.500 0.985 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831579036 QGJYMTJSMQSQGR-VPKVUBIPSA-N 442.472 0.492 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832295616 OGTBYNSFWIEEIK-QHCPKHFHSA-N 449.548 0.010 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833352271 XJZNJXOAVCGAHK-SFHVURJKSA-N 436.553 0.467 30 20 ICED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834130808 HWJFYAQEQBPFRI-HRAATJIYSA-N 434.493 0.961 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(C)n1)CCO2 1834450369 DVABIWZWQZAARM-FBQMEGEOSA-N 434.518 0.380 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717153 PFNKXFALEJXSMO-INIZCTEOSA-N 434.585 0.364 30 20 ICED CCOc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cnc2c1cnn2C 1834758927 ZDYBKWQQGRZVTI-OAQYLSRUSA-N 442.476 0.351 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835420827 BQEMLFQNHPORMA-DEOSSOPVSA-N 448.560 0.958 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835674948 SLSTXVXXFSKDST-QFIPXVFZSA-N 446.552 0.091 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1835750221 LNBLDFVRRGJTBC-FQEVSTJZSA-N 444.576 0.535 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835943504 QFQXOIUYCGYDAW-OAQYLSRUSA-N 448.545 0.912 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836723894 STVBTTOQOZEIIE-OAQYLSRUSA-N 436.509 0.613 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2)C1 1837220960 GCDAHILEIOUQPP-SPEDKVCISA-N 440.537 0.604 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837490642 JPWWXEXTAPCKAX-QFIPXVFZSA-N 428.489 0.245 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837561619 YDXCGCCFKSEDHD-FFCJBUTOSA-N 429.477 0.511 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)ccc1F 1839186453 UECPHSHWHKZOBL-DENIHFKCSA-N 431.464 0.875 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839349272 MSFDQYATJFUAMJ-HSZRJFAPSA-N 445.516 0.838 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccc4o3)CCO2)C1 1839499991 JUZGYTUODDBJJT-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(F)(F)F 1839891758 WDQQECCSAZFFMN-INIZCTEOSA-N 447.370 0.366 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840295515 SSYJKXDXGAXOTM-VNXZQDSDSA-N 432.517 0.980 30 20 ICED CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820645 CINQZFMFOWWCSR-JOCHJYFZSA-N 431.489 0.820 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1841598395 HKTVPCANQYBFTK-KRWDZBQOSA-N 449.548 0.990 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130342 NIXTXNLWHQWUAX-AWQFTUOYSA-N 434.522 0.127 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)COc2ccccc2C#N)C3)c(=O)nc1O 1846969289 FIORKGXBKUPDIM-UHFFFAOYSA-N 437.456 0.411 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1847068659 FYYGCJBQSFUWJJ-CVEARBPZSA-N 449.552 0.814 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCO1 410155892 VOWDXPQQBYDPQA-GJZGRUSLSA-N 432.499 0.038 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)n2)cc1 429948049 VOTAAEDOSDPQOT-WMZHIEFXSA-N 448.458 1.558 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3n[nH]c(C)c3C#N)CC2)o1 431682092 PWJXPUYWOAJEIS-UHFFFAOYSA-N 435.462 1.399 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCOC1 441936025 PKRSHWSGGAWQCD-HNNXBMFYSA-N 427.526 0.984 30 20 ICED CN(CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 465070924 FIOOYWSRWGUQHQ-ZBFHGGJFSA-N 428.536 0.013 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 465185312 MAHFCVMLQUWAQQ-KRWDZBQOSA-N 445.483 0.457 30 20 ICED COC(=O)[C@@H]1CNC(=O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 468666396 IPVVNAFZNLVPFB-AWEZNQCLSA-N 427.417 0.523 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c2)c1 470996959 TUZDFMRYBFNEBZ-VQTJNVASSA-N 449.463 0.961 30 20 ICED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 471049720 CHOXFJCYTACCTE-INIZCTEOSA-N 439.472 0.860 30 20 ICED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471056150 NHQWHNFAMDKJNE-INIZCTEOSA-N 427.505 0.733 30 20 ICED CCCCN(C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 472163307 SXKNZCFWDYSMQQ-QGZVFWFLSA-N 436.582 0.538 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 473436255 VCSKRCVGMWONJK-UHFFFAOYSA-N 430.509 0.555 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 476760189 NXJRSJPMSNOEGL-QUCCMNQESA-N 432.496 0.608 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc(OC)n3)c2=O)cn1 479386073 ZWBNFJDXCQZGKJ-UHFFFAOYSA-N 436.497 0.301 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 484269326 AGYMLBWWCMWOHF-UHFFFAOYSA-N 433.896 0.555 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 491073900 FEYPUWSYVIKEGY-UHFFFAOYSA-N 442.925 0.128 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 497370800 ZEWKQDQPXNATEO-UHFFFAOYSA-N 426.442 0.930 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1[N+](=O)[O-] 499741988 PCOFAXACOIBSRA-UHFFFAOYSA-N 449.445 0.847 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cccc(OC)c1 505659861 KJKIDCGNPARZRG-UHFFFAOYSA-N 435.509 0.755 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 507347210 FKMRDXDWLFWJPD-KRWDZBQOSA-N 446.533 0.817 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507545167 DQVLIOCKACDXTM-CQSZACIVSA-N 435.506 0.410 30 20 ICED C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508479451 YMQBNOSTOBBKEW-GOSISDBHSA-N 425.537 0.819 30 20 ICED CC(C)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nncn1C 510935320 MFUYDBBHYPFAGE-IBGZPJMESA-N 445.549 0.507 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnnn1-c1ccccc1 513319025 JQQUEFDUHDWCNY-CQSZACIVSA-N 425.474 0.560 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 514326545 QMDMXDZJJCRGKP-UHFFFAOYSA-N 441.509 0.672 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccs3)c2=O)CC1 516828412 IYZJDGLZWFOSHM-UHFFFAOYSA-N 444.582 0.600 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543002423 BCZUVHUOLVQVCU-ZDUSSCGKSA-N 436.881 0.486 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 552589602 YKBRORIWPHZRSE-RXVVDRJESA-N 428.533 0.939 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1 552936662 HXIBIHDYAPVBHC-SFHVURJKSA-N 443.548 0.084 30 20 ICED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 559801690 KHKHCJBHLWFZII-FQEVSTJZSA-N 447.495 0.794 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 561101769 PPCZQAJUGMUIFI-YWZLYKJASA-N 427.461 0.549 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)nc1 576295517 JWRQMLKTILFJKR-NRFANRHFSA-N 448.527 0.792 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 577313522 UGAATLUNVSQOCX-LSDHHAIUSA-N 433.538 0.525 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)c1 582918124 ORWWJSSJHMQKBE-OAQYLSRUSA-N 448.527 0.619 30 20 ICED COc1ccc(OCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 585693532 PBJLZJBYMURZDY-HXUWFJFHSA-N 436.468 0.979 30 20 ICED C[C@@H]1Oc2ccc(C(=O)C3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)cc2NC1=O 589591420 JSRNGZGQFZFMAH-LBPRGKRZSA-N 437.456 0.774 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581315 BZSNVLBQGKYATC-LMMKCTJWSA-N 438.550 0.270 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 603888305 RDAGDSWVWWOADX-CQSZACIVSA-N 428.536 0.280 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)c(F)c1 609461990 UUESKXDEOHXKFF-ULQDDVLXSA-N 448.520 0.818 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](CN3CCCC3)C2)CC1 610080147 FOILBVXMVIQVTO-LJQANCHMSA-N 445.589 0.809 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cscc2Cl)c1=O 610928970 AZAUORJJBTZGIM-UHFFFAOYSA-N 438.962 0.113 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 617597191 LBRSWTZNYBECRS-UHFFFAOYSA-N 430.534 0.771 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)C2=O 727013380 SUJCNRZNBAGKIV-UHFFFAOYSA-N 441.444 0.363 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)nc1 727623151 BTEZDNVWDGOATA-UHFFFAOYSA-N 447.499 0.613 30 20 ICED C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 728719194 QPUBIHITLXEUCY-BJJXKVORSA-N 443.909 0.768 30 20 ICED N#C[C@H](C(=O)CN1CCN(c2ncccc2C(N)=O)CC1)c1nc(O)c2ccccc2n1 728917358 AKSHCPAODFDGON-MRXNPFEDSA-N 431.456 0.828 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O 729673164 GATZXQZHFBVMRB-UHFFFAOYSA-N 437.568 0.106 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 737306614 NMJVYLMKXNTRBC-FMQUCBEESA-N 425.489 0.906 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 737306616 NMJVYLMKXNTRBC-VXPUYCOJSA-N 425.489 0.906 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(I)c2)CC1 739957547 KMEOYEXBAOMSBQ-UHFFFAOYSA-N 447.298 0.347 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(CC(N)=O)nn2)c1 742557040 PAOZSTZQZUTABL-XLNRJJMWSA-N 433.494 0.609 30 20 ICED C[C@H](CC(=O)NCc1nnnn1-c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742589908 MVEJACXVBGYUSO-CYBMUJFWSA-N 425.474 0.796 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746445931 BBZSZRTWJIIIQC-UHFFFAOYSA-N 446.489 0.277 30 20 ICED COc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 749005340 PDPJAUPWSOUUAG-UHFFFAOYSA-N 431.470 0.747 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O 758589311 OOGLNDYJQDNEMK-UHFFFAOYSA-N 433.559 0.250 30 20 ICED C=CCOc1ccc(/C=C\C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC 769673552 BCAOCFDRNVPSFT-CLFYSBASSA-N 429.429 0.679 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 783350812 PFEMPZOLPPRNIC-UHFFFAOYSA-N 434.474 0.623 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 783463976 KINPJKIWLIJXDT-UHFFFAOYSA-N 433.424 0.413 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c1 783464728 LJRGQCGCLZQZBX-UHFFFAOYSA-N 428.470 0.578 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 783481176 OHOLSCUTPKBASR-GOSISDBHSA-N 435.546 0.995 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c1 785011396 ZRWQBCJBJUNAIX-HKKHXYRBSA-N 447.517 0.317 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1)c1cc[nH]n1 789980099 MPNOLANXRVXJTJ-UHFFFAOYSA-N 425.405 0.617 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cn1 791052235 UOWQOSNJZJGVSM-PMACEKPBSA-N 447.561 0.270 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1CCOC 794581912 RKJRKNFEJXCDRR-UHFFFAOYSA-N 449.536 0.856 30 20 ICED C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812083966 FBMDGASPDGHJGS-CQSZACIVSA-N 437.547 0.543 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOC 916198576 PGRNOOSGOQMMGQ-UHFFFAOYSA-N 445.541 0.993 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1303867146 NHUCRAHQXOVMEU-JDFRZJQESA-N 440.551 0.586 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCN(Cc3ccsc3)CC2)c1=O 1307346169 OFGUOEJDGFZAQE-UHFFFAOYSA-N 441.557 0.958 30 20 ICED CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314643296 NGPIVNXHNTYHCY-UHFFFAOYSA-N 431.504 0.945 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(F)c1 1319086255 JRFXYPJJTSSCMR-UHFFFAOYSA-N 440.472 0.961 30 20 ICED C=CC[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1323845366 LVASMYWWJPULJF-MRXNPFEDSA-N 440.518 0.883 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)C2=O)cc1 1324563358 IITNLKAQLHKJGL-MJGOQNOKSA-N 448.483 0.966 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1325875776 WCRAWGBDMGPSQX-UHFFFAOYSA-N 429.502 0.979 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)CC 1503105094 VXDOTUPMRUFTLE-UHFFFAOYSA-N 433.538 0.843 30 20 ICED N#Cc1ccc(OCC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 1540823737 VHPNSGNRIYRSHX-LBPRGKRZSA-N 444.307 0.509 30 20 ICED C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1596823650 WICABOKNEWWZFX-OAHLLOKOSA-N 447.569 0.597 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1611687028 PZCVEOHZJVMPSF-SCLBCKFNSA-N 436.517 0.840 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c(=O)nc1O 1630030511 LDZYHRJPUWSPKU-CQSZACIVSA-N 433.877 0.805 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1705681211 PJJUGXJOIBPSOO-SNVBAGLBSA-N 442.361 0.032 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1731179021 LIVBUGAQUUEWAR-OALUTQOASA-N 430.465 0.808 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1761474235 YCNGRFZXMXIEOM-HIFRSBDPSA-N 444.583 0.453 30 20 ICED CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1767695588 IRVDHAOTIMIZIP-LHKUQTHOSA-N 427.502 0.552 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1778879501 JFORWEQNCRTIIJ-KSFYIVLOSA-N 427.505 0.838 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1778890676 YNHYWBKAEKOJER-JTSKRJEESA-N 430.505 0.856 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1778977934 AWWCAHFJFUSWKL-FXKZBUDASA-N 433.549 0.790 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1779042389 QEMHUXLGCYVHFU-NRFANRHFSA-N 445.545 0.251 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781341825 VRARLJUGIVNALZ-LIMHQNJXSA-N 426.311 0.602 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781812404 BGOSISSJJQCLIC-NRFANRHFSA-N 432.477 0.529 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)CCN1 1782270249 NRJAIQHKCIUVJP-KXCPTRETSA-N 430.505 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C[C@@H]21 1783533033 LCRALKAWVWWYCV-YSMJTFFMSA-N 442.516 0.687 30 20 ICED CCN(CC)[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783564736 FDXVKTZICRUKGY-JTHBVZDNSA-N 427.501 0.987 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1785378789 QLJDIHDRXUGNKN-RDPSFJRHSA-N 449.511 0.732 30 20 ICED CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1787667674 AKYIVTYSRGOSHW-ULQDDVLXSA-N 431.541 0.734 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)[C@@H](N)CCC(N)=O)cc2)CCC1 1787976476 YOUUZUZBRFDDRI-MQNTZWLQSA-N 427.505 0.572 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1788573798 NBWJKOQDTKZPJI-MUGJNUQGSA-N 448.608 0.319 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788705930 DTOIPTWIKXURNT-DWRORGKVSA-N 427.505 0.378 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cccc1=O 1794585756 DAWCTGGTKPCWLU-OZHCATNZSA-N 432.477 0.118 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1797782796 UYWPLQZNFANQEX-XEMDLRDOSA-N 437.500 0.631 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)cc1C#N 1800032639 QRCAATLESZPGLF-JTJHWIPRSA-N 442.516 0.899 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1803137300 ZFRBPXZUBOFDRS-DKYLXPRQSA-N 427.457 0.765 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1808691561 SGVZJIPGCQIHJY-ZIFCJYIRSA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(=O)ccn2C)[C@H]1c1cccnc1 1811357521 DKYMKWORJYXELP-AWWPTUBISA-N 449.511 0.958 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811541093 RJILGLMSLQWOSQ-FBBABVLZSA-N 438.488 0.252 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1812620818 MHKWXXQMEWSDTH-ZEYONLJCSA-N 431.493 0.753 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)[nH]n1 1814433722 DGMATCKCVAGNQW-AYPLEAKFSA-N 428.493 0.786 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536438 OJQPFHVPKORLFQ-SWLSCSKDSA-N 431.518 0.885 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1829768717 GDLRIQUTJZOYJL-RHVSLNNASA-N 429.473 0.321 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831084090 WYDPCEADFKAKPW-TVTNDZMWSA-N 439.553 0.585 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1831396498 MZFWGGRCMYZNFS-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831401655 DGSGNWDPKKKCBS-JPYJTQIMSA-N 441.484 0.432 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831406587 YMCGJVODQILRNO-OAQYLSRUSA-N 436.509 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1831438024 KAXUIBPAXUTCRK-HGHGUNKESA-N 425.526 0.339 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831492184 KEPYVFVHOMXDPL-YLJYHZDGSA-N 428.551 0.907 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1833306582 FTMAMEDLAXZWMX-HOTGVXAUSA-N 433.505 0.235 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295713 SJBKNJXIXFDWIR-QFIPXVFZSA-N 428.489 0.245 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834569284 NWLZOIDYTLEVEA-UHFFFAOYSA-N 431.558 0.654 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665246 NNDMBVXLDUVYEH-OAHLLOKOSA-N 433.557 0.482 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1835702567 VWBAMFKZSYPTGS-NJNPRVFISA-N 432.521 0.111 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1835717694 GFWCSEPDFRHXIX-KRWDZBQOSA-N 441.594 0.949 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835849234 LHSQARYOAVGOEX-QFIPXVFZSA-N 439.472 0.690 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808663 NQQAPINGPVZSAZ-OXQOHEQNSA-N 433.534 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1837394941 LVSLSNLDMABIIT-KSFYIVLOSA-N 448.520 0.030 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837524573 JUFDFYBPUHEPPL-AWTNKVQXSA-N 447.492 0.005 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837529187 PYQVFYRZUWHKEF-IHSVQVTCSA-N 433.465 0.076 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837529545 VHOKEFSEQKGYLW-WCYKGSCOSA-N 431.436 0.627 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837533320 ORAXJGPIUMIODA-HRWQOHGTSA-N 427.473 0.864 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837875202 ZGLMKRXCAQYQDB-QFIPXVFZSA-N 428.489 0.245 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1838621253 IPMDDSBHXZGORH-SJORKVTESA-N 445.516 0.474 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742027 MLJUHQXCWAUODT-VFNWGFHPSA-N 426.477 0.723 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060584 ZNDLMPAWOCVJIK-GSYMPFBVSA-N 446.504 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839175008 ITCKBUSYIDHZCH-NRFANRHFSA-N 434.493 0.226 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(Cl)c1 1839424343 CCCHURNPWSNUGO-XERREHJYSA-N 448.907 0.004 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681282 JZDIXRZQLCDABC-UTKZUKDTSA-N 442.509 0.987 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1839890854 XQKBVIJJVAEQEJ-ROUUACIJSA-N 434.436 0.270 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840016069 HDFZSJZIBSAVET-UGKGYDQZSA-N 429.473 0.572 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840039729 GDDSHXHDLONTAA-QVKFZJNVSA-N 434.876 0.988 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840164781 GVYGKVMOLTWWFY-QFIPXVFZSA-N 448.541 0.964 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840433616 ZMKXYZWSJOYEPS-OPYAIIAOSA-N 435.525 0.777 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840818586 KOJBMXPVEVVLLN-OAQYLSRUSA-N 425.445 0.430 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N(C)C(C)=O)C1 1843428554 ADCIKQXYXLOTQW-NVXWUHKLSA-N 434.537 0.973 30 20 ICED C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 16064394 BOLQHBJXSKLZFM-AWEZNQCLSA-N 431.470 0.875 30 20 ICED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC 30697255 PWQYDFXDVCBKJF-UHFFFAOYSA-N 438.550 0.510 30 20 ICED CCCCn1c(N)c(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[nH]c1=O 105689463 QCPXDEHKYLQVRT-UHFFFAOYSA-N 448.505 0.074 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 426013396 NTKLGFAHUMOZRQ-UHFFFAOYSA-N 439.295 0.445 30 20 ICED Cn1ccc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n1 434542518 AMVCVGRSGJLNLR-GOSISDBHSA-N 428.518 0.794 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 441625111 YCKLFUQHXAXPDH-QGZVFWFLSA-N 437.456 0.224 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441920313 CWCFMNGSYYATDU-MRXNPFEDSA-N 442.541 0.387 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 443685070 MQKVAXFQLNOVEB-UHFFFAOYSA-N 448.423 0.836 30 20 ICED Cc1oc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1S(N)(=O)=O 446476580 JSGPHPXEHJHHNX-UHFFFAOYSA-N 438.487 0.254 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 446803313 VLSKKACLJOHRCN-AWEZNQCLSA-N 449.450 1.052 30 20 ICED N#CC1(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 463351719 WUIJNXWFJUUTJD-UHFFFAOYSA-N 426.520 0.618 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488312991 MEVUGXDNIBBMFP-HEHGZKQESA-N 443.460 0.336 30 20 ICED N#Cc1cc(C#N)c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1N 494664465 JFLUSTVEJMCLCD-HUUCEWRRSA-N 435.531 0.694 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497581296 VWDVSTCMOMGZAW-HUUCEWRRSA-N 446.554 0.344 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1C 502048066 GPTLUJFIBQBVJV-UHFFFAOYSA-N 437.525 0.515 30 20 ICED N#Cc1cccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 503219977 OQYJQQYBJPJRRP-UHFFFAOYSA-N 435.483 0.681 30 20 ICED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)nn1CCC#N 505006422 NEHNOMXQHMDGJO-UHFFFAOYSA-N 437.504 0.899 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508849734 RYZOGUHGZOBOTD-GOSISDBHSA-N 435.492 0.934 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C1=O 509523423 JYTWXAISVQSXEK-QUCCMNQESA-N 427.549 0.559 30 20 ICED C=C(C)CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(CO)o1 512169512 OUGUCMXMVVYZSW-QGZVFWFLSA-N 425.551 0.481 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c2ccccc2O1 513042465 RHGWPHOQPDCVIA-WIYYLYMNSA-N 447.495 0.763 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 517695202 MZMFHVAOKCGUFS-KRWDZBQOSA-N 425.555 0.951 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 521501590 RTLAKQYQUZZHNI-KRWDZBQOSA-N 447.923 0.008 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccnn3C)c2=O)cn1 523859994 QQVCNZVESFQGSQ-UHFFFAOYSA-N 437.529 0.411 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n(CCC#N)n1 542880517 GMLAPOYSJXVBEW-MRXNPFEDSA-N 436.538 0.897 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3CCNC3=O)CC2)c1 543530635 LKBIMFQVAFURKZ-UHFFFAOYSA-N 433.472 0.766 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 555270764 LBCCNLDJMXXQBX-GJZGRUSLSA-N 446.599 0.469 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 582864944 IJRNEJNKMIZUFP-AWEZNQCLSA-N 431.522 0.901 30 20 ICED N#Cc1cc(O)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 589180340 ZWAWIFWAWDKQCG-UHFFFAOYSA-N 442.453 0.741 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 589498292 JFYMNVBMRALRIQ-UHFFFAOYSA-N 446.489 0.538 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O 608911269 XLYJTPOGMYDXCX-UHFFFAOYSA-N 444.516 0.867 30 20 ICED N#Cc1cccc(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 610008612 NVRGTSXJANRGQP-UHFFFAOYSA-N 428.518 0.837 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 611896541 MICLYCXCUCLXQU-UHFFFAOYSA-N 443.895 0.568 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727163234 QSAVOHYVLQVMQS-UHFFFAOYSA-N 428.905 0.709 30 20 ICED CC(C)N(C)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729914715 BIDXDEGPHABZMZ-UHFFFAOYSA-N 428.536 0.660 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 731863456 WQVYFZCSESEAKL-RPBSFSNWSA-N 441.444 0.105 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1=O 734829471 PZKLKUSJLNOOHN-UHFFFAOYSA-N 432.912 0.367 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(=O)OCC)CC3)ccc2c1=O 735928899 VFDDHLPIVNLGGC-UHFFFAOYSA-N 430.486 0.719 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 740518775 MYKUCWKWBRJNEW-GASCZTMLSA-N 439.559 0.906 30 20 ICED CN(C)CCOc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 763223602 SKFDFJSBAACCRG-UHFFFAOYSA-N 431.518 0.767 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 766051676 IMFQKXWRUYBGRJ-CQSZACIVSA-N 427.398 0.932 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CC(C)C 769636607 BWGVDDZKRPNEGX-UHFFFAOYSA-N 445.589 0.862 30 20 ICED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(SC)cc1OC 771896811 JERGCPFIUNVMKR-UHFFFAOYSA-N 428.492 0.136 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 772717191 FIEZWUBJHZHARJ-UHFFFAOYSA-N 444.531 0.896 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 776138154 XROJRUVBNQEORQ-AWEZNQCLSA-N 444.491 0.744 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1OC 787618681 KYPGTJZGSGGWEO-LBPRGKRZSA-N 425.463 0.476 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)o1 796144631 QUJRHFXUSFTXIB-UHFFFAOYSA-N 433.442 0.645 30 20 ICED COC(=O)c1sccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 800763556 ZJLFNJRJAYXAJO-UHFFFAOYSA-N 437.455 0.867 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 804894527 ICDCLUDQZOYQLD-SFHVURJKSA-N 437.585 0.810 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 814883671 WCSKJHXYACQDKL-LBPRGKRZSA-N 429.499 0.138 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)COCCNC(=O)c1ccccc1 816129765 LQWLKTOTHDNYLW-UHFFFAOYSA-N 432.414 0.718 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 820816913 QBNHYAJHFRORGR-LLVKDONJSA-N 447.307 0.669 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 916923074 JQZWKOWTBJNDTM-AWEZNQCLSA-N 438.444 0.215 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1OC 916924525 VHKWFVVTVFRHEJ-QRQCRPRQSA-N 442.472 0.792 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(CO)c2)CC1 921228264 VBXSWMHHWIGJDV-UHFFFAOYSA-N 443.481 0.740 30 20 ICED CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 1264542842 KEIGYBZDNBYPQF-ZDUSSCGKSA-N 426.495 0.793 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1360715116 UMCLFNNNRUYVAO-PBHICJAKSA-N 448.549 0.893 30 20 ICED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 1464963035 LTSIYFHTQLKZIJ-AWEZNQCLSA-N 427.324 0.979 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1503261007 KMLNKWZRHGCJDI-PBHICJAKSA-N 433.490 0.954 30 20 ICED CN(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)c1ccc(Br)o1 1515068176 UJFGYSWQSITYHR-JTQLQIEISA-N 446.279 0.080 30 20 ICED C=C(Cl)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1539824364 RFVFIVKALKWSNV-LJQANCHMSA-N 426.949 0.941 30 20 ICED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1617582448 VMNGHTQEEPCLMA-UHFFFAOYSA-N 433.538 0.671 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1671975893 UPSRJOGTHIDZGG-LLVKDONJSA-N 437.293 0.281 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1692747894 RWUMIGBGFFNZCB-OWCLPIDISA-N 427.575 0.595 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1698493785 PLKGUMRPHSQYLQ-CQSZACIVSA-N 437.551 0.381 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCOCC1 1723925566 JECMNNXWXYNMHQ-OAHLLOKOSA-N 439.586 0.739 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1727652563 JCFMNSDDEMNPDY-MRXNPFEDSA-N 431.522 0.423 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(CS(C)(=O)=O)CC1 1741905573 SZSCJYZPPFYUHX-OLZOCXBDSA-N 432.572 0.451 30 20 ICED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1743406244 JCVKHHIFSFOCDR-QGZVFWFLSA-N 445.549 0.861 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1760689464 XNQLYFZEQVZHLD-CPUCHLNUSA-N 429.616 0.921 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1768265623 QFZZMGFRIQYKAS-UHFFFAOYSA-N 445.549 0.767 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779107325 QFIZWIDZILBKKK-CMQXEDBBSA-N 449.460 0.776 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779137904 LVIIFOBIFWWNKU-TZVKMXPSSA-N 430.383 0.207 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1780173731 BVGHVDKBPXDCKE-QFIPXVFZSA-N 442.472 0.853 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1780176315 RRUZWQLUWXJKNG-XOBRGWDASA-N 425.449 0.258 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(CO)on5)C4)C3)c2c1 1780398005 FWJOWMZFIZOLMF-NRFANRHFSA-N 436.428 0.672 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)C[C@H]1CO2 1781062268 GKABUGNSNMCVPB-JHVJFLLYSA-N 434.493 0.508 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781315065 MYZJMGKAYPWKRW-IERDGZPVSA-N 441.525 0.295 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2 1782009750 XMFCCLLYCOHHPI-SMKKKYSBSA-N 440.496 0.884 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1784493186 RILCCUUVQHBQIT-XLAORIBOSA-N 428.551 0.526 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541530 WAMQONHIBPSBOT-BFUOFWGJSA-N 441.575 0.250 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(Cl)cccn34)[C@H]2C1 1787243009 AMBJPGFCOOFSEO-XEZPLFJOSA-N 430.848 0.669 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c1 1787430789 WZXAOORHBWXBJF-NUTKFTJISA-N 441.419 0.806 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1)C(F)(F)F 1787500279 GLIKYWWNZMZKTI-DUIQVVMOSA-N 448.467 0.887 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788513591 MJXBHODSFSXYRX-MYDFWUKSSA-N 431.581 0.778 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788678741 OPJOZBFWXQGUHJ-RYACJGIASA-N 430.421 0.623 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788705557 PTJLAQTXOZIYKC-JPLJXNOCSA-N 441.532 0.768 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955248 LRHJVYIJBMEPFU-WOYTXXSLSA-N 425.530 0.475 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1790829216 JKSMENJELWGALC-OWSLCNJRSA-N 427.567 0.604 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](C)S)[C@H]4C3)cnc2s1 1791261580 PZCQHDZFWJJVRC-JURCDPSOSA-N 436.559 0.976 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793085613 ATQVOSAYBWEQRV-ZMMAXQRCSA-N 435.521 0.265 30 20 ICED 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#CC2CC2)C1 1793261190 AFHMAPRCRBDSJJ-VBRUWADQSA-N 447.532 0.217 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CSCSC1)C2 1793344337 LOJPIQYDDPNJLK-NNXHMXCWSA-N 427.592 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 1793603358 KTCSFXYLUWFNJW-YFIOHPQZSA-N 447.532 0.414 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n(C)n2)c1 1794324502 SESKQNQFTASPHS-CCWDJLKJSA-N 425.445 0.523 30 20 ICED O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1795450446 KXDXNQXRLPETQT-JXFQULDKSA-N 431.514 0.699 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2)C(=O)O 1795643119 ACPWYRDOHNSPDB-HRJSJKBJSA-N 434.880 0.478 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796888383 YLKQASNMVVKWHH-WCXIOVBPSA-N 428.555 0.851 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc3cccnc3cc1F)C2 1800778549 HCIOZOJHENVCQY-MFKICJERSA-N 425.416 0.594 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)c1ccccc1 1801120237 LSWRUWRVCNFGGO-ZBNTXBBCSA-N 449.507 0.698 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1804192312 MCVCGEGKXHFZKS-KNQAVFIVSA-N 444.557 0.231 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333611 UNJGCPYCYBJOJC-DPRCSMEMSA-N 437.591 0.957 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1804370339 HXYFIDIRIPPPIN-IERDGZPVSA-N 435.440 0.000 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806815148 OIRPNIQAZKTOFL-MBOZVWFJSA-N 428.489 0.875 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1807189258 FCPUHNMLVWGWSC-VIZSFHNOSA-N 448.527 0.795 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810359608 ZMJHVNUDSFBAAG-VNWJEQDASA-N 428.445 0.704 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/C(=O)NCc3ccco3)sc2C1 1820058961 FKMIQXGJDAZKNP-BTDICHCPSA-N 442.453 0.609 30 20 ICED O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)C(=O)N1 1828911156 DUVIEYZOUWCMCG-TTXZLZEXSA-N 446.552 0.630 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1830270923 QWRPEUKTKYPMOJ-QVKFZJNVSA-N 434.876 0.988 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C#Cc1ccc(Cl)cc1)CCO2 1830470134 QLHNSQUJPWVWBI-NRFANRHFSA-N 430.844 0.236 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(C)n(C)n1)CCO2 1830945352 HNJRGRWKPRXCIF-QFIPXVFZSA-N 434.537 0.710 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncoc4c3)C2)C1 1831393286 WEPHKLJLBJBIRO-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1831397463 YVRVMWKQYZLIHQ-IVZQSRNASA-N 444.463 0.810 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c1 1831610307 YPDKHQGNBSWYTE-OYHNWAKOSA-N 444.488 0.148 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1=O 1831888139 TWNDFEQTMJCWQO-QHCPKHFHSA-N 436.468 0.641 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831999009 WQZWLTUAOFSNNA-IERDGZPVSA-N 436.509 0.826 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1832446928 MRTQHSYGYWMBTA-FQEVSTJZSA-N 427.567 0.524 30 20 ICED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1833364867 ZHBULIXVORUTQF-QFIPXVFZSA-N 438.488 0.731 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1833613025 NAJWULBXLFXMJU-QAQDUYKDSA-N 447.532 0.625 30 20 ICED COc1cncc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1833808001 GWIUJBVTNSWQRD-UHFFFAOYSA-N 442.516 0.682 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518752 LBYQBQMMGXYJJP-NRFANRHFSA-N 439.560 0.203 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834621821 METVWNJZZIKCQV-HXUWFJFHSA-N 447.624 0.234 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099852 VIYIARMHEIILRB-HSZRJFAPSA-N 439.468 0.943 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835667781 HWJOUPVSROTADH-JOCHJYFZSA-N 440.504 0.504 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(C)c3N)CCO2)C1 1835867829 LGVDNHSQUVEHOT-OPAMFIHVSA-N 433.480 0.825 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccc3C=O)CCO2)C1 1835949226 DQSFKQNDBBJHRL-NJNPRVFISA-N 431.489 0.356 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1837303297 PNOMEABGDVRCOV-HTAPYJJXSA-N 432.521 0.819 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316039 UISSNDXXWXRCOH-CJNGLKHVSA-N 442.456 0.503 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837559983 LOBBOUJUQKNDHS-IIHIVLJSSA-N 427.461 0.188 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837664621 SWHAAUWMIHMTFF-OAQYLSRUSA-N 434.541 0.768 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c1 1838906165 UYSVIGAEHFZZIB-HXUWFJFHSA-N 427.486 0.981 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2)C(=O)O 1839189694 ZLVKTWUOLUAPAP-HRAFRWSSSA-N 445.447 0.727 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n(C)n1 1839223378 UDSTYCDVVJSGMH-FOIQADDNSA-N 437.497 0.300 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839228436 DEWJPDYHFARBDQ-KSSFIOAISA-N 431.511 0.062 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c(Cl)c1 1839237330 CFJZSNZZZRGDDC-HXUWFJFHSA-N 444.879 0.573 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572014 YXUVSKNLNVUZNE-QFIPXVFZSA-N 426.473 0.801 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985933 AVBSEQYTHFSDII-IERDGZPVSA-N 439.509 0.006 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(F)(F)F)n3)C2)C1 1840042194 GMDHJKPNUOLQJG-SFHVURJKSA-N 441.362 0.258 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncc(O)c2)CCO3)cc1 1840059479 IEJMYIRVUZOXDQ-HSZRJFAPSA-N 436.468 0.972 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343391 VCSFXMTVPMHWON-KNPBPOTRSA-N 447.492 0.408 30 20 ICED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058835 HOWFWUYCMAMECL-LOLZCCBGSA-N 439.472 0.908 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259978 DHENBYYJALXABB-ZZQPOVDQSA-N 426.521 0.875 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844465650 HKRIWXGIVRRTIW-LLVKDONJSA-N 442.257 0.870 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)o1 31583118 ZSCSYRQZSAWIHV-AWEZNQCLSA-N 446.533 0.844 30 20 ICED N#Cc1ncn(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)n1 427087723 YMACRNHGNKPLBN-LLVKDONJSA-N 427.202 0.310 30 20 ICED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 433679645 VXWTUZXXYDZAPB-FQEVSTJZSA-N 433.512 0.853 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 437060937 UTSPMVGUCQCBAS-WMLDXEAASA-N 425.507 0.647 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCOC1 441942641 QAISGHGLYJUWTR-CQSZACIVSA-N 440.481 0.636 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1-n1cnnn1 465403363 KMBYNOMOYFIRDN-AWEZNQCLSA-N 432.448 0.308 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 465418866 VILIRSBLLKLIIK-INIZCTEOSA-N 437.504 0.964 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)o1 480933454 KLOAWYSAVMAOOH-UHFFFAOYSA-N 442.497 0.961 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)o1 480942076 ZIBPHMWLYJESRL-UHFFFAOYSA-N 440.481 0.811 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505701805 ZWOXKUOVYOCQNK-UHFFFAOYSA-N 437.525 0.977 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)cc2)c1N 511422483 JIATWPUVFCDPDA-UHFFFAOYSA-N 437.489 0.574 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 516346330 DSGURQIKLIRCNU-INIZCTEOSA-N 441.440 0.826 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 516482769 GXMUPNLBFFFBAQ-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)cc2)c1=O 523476795 MMGDYNUXERLOHO-UHFFFAOYSA-N 441.553 0.871 30 20 ICED CN(C)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 540560337 MXCNNEYTQPDZRK-FQEVSTJZSA-N 430.528 0.240 30 20 ICED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 549252899 JQPJBATVJSPYBP-KRWDZBQOSA-N 434.541 0.849 30 20 ICED CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCSC1 550838381 GJBXZGHTXGALDV-UWJYYQICSA-N 429.546 0.723 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 553089206 DDOPCKZSKUBWRM-YSVLISHTSA-N 442.563 0.449 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 555988465 OVLIHXPHYNBITG-CYBMUJFWSA-N 425.411 0.977 30 20 ICED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Oc1ccc(Br)cc1 556405786 DLKOTOGTEFYQBX-KGLIPLIRSA-N 448.295 0.428 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 564065723 BPPKLYNTYDLBLP-QIEVIBBNSA-N 440.500 0.965 30 20 ICED N#CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 572469347 IYQYBPIKZBVEPL-UHFFFAOYSA-N 426.804 0.783 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 574237751 VFWWZEUOTIMKII-HNNXBMFYSA-N 435.550 0.141 30 20 ICED COCCN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585775251 WRZGIAIKJQWUEW-UHFFFAOYSA-N 430.509 0.299 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ccccc3)CC2)cc1 589298695 ZTXDRHRCEKXEGX-UHFFFAOYSA-N 427.530 0.775 30 20 ICED N#CCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 604007914 SOMVVMZMZHBZBV-UHFFFAOYSA-N 427.486 0.924 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 610608200 HOIGZOVDLSFUGJ-WLRWDXFRSA-N 435.387 0.935 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610798973 YTPITCLBOFCKSV-AWEZNQCLSA-N 442.563 0.593 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1C#N 615989598 XZRBVMKERLTWRX-CXAGYDPISA-N 425.497 0.359 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(C#N)c3)cn2)CC1 618040619 DURAFBSLFRGEMU-UHFFFAOYSA-N 428.474 0.612 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 728571042 URPKINDIFPIOPA-FQEVSTJZSA-N 425.577 0.523 30 20 ICED C#CCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 728572830 FMUHXNXWJPDTSX-UHFFFAOYSA-N 428.352 0.590 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 731130532 QETMNOSCHJIEPH-UHFFFAOYSA-N 448.526 0.935 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1F 732910989 WSNXTPWONMOPTF-WFASDCNBSA-N 427.429 0.498 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 733150221 FKYLBQMRXCJOJV-QHCPKHFHSA-N 439.516 0.046 30 20 ICED C[C@H](CC(=O)OCC(=O)Nc1nnc(C2CC2)o1)/N=C1/NS(=O)(=O)c2ccccc21 745495912 JOWNRTIELYOGQV-SNVBAGLBSA-N 433.446 0.946 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 746642470 YJQCWIJRRQJJAG-VVLLMFOMSA-N 432.458 0.673 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1OC 751552681 CLGUFJBZNBYJNY-UHFFFAOYSA-N 433.511 0.307 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 760404978 CHCAHSWSRXTNSV-UHFFFAOYSA-N 433.490 0.474 30 20 ICED Cc1noc(C2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C2)n1 765897208 YMSBRVDYUDDWQE-KQWNVCNZSA-N 446.489 0.755 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cc[nH]n1 772310531 FTJBAYNZEWQODM-RYRKJORJSA-N 439.472 0.967 30 20 ICED N#C[C@@H]1C(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)=CC(=O)n2c1nc1ccccc12 772746920 GEKPQBUHVAQCCJ-MRXNPFEDSA-N 446.467 0.517 30 20 ICED CN(C)[C@@H]1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc2)C1 773199033 KZUASFNSRXPLDW-OAHLLOKOSA-N 428.518 0.899 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)[C@H]1CCCO1 773806976 WIJKZAJZQFTOJS-VQIMIIECSA-N 428.489 0.318 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)nc1 774804827 CFYGKANIIRYXSM-MRXNPFEDSA-N 428.518 0.733 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1CCCO1 775798346 GULDDFCYBFQVOX-SFTDATJTSA-N 431.558 0.779 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780066825 GIQPZNZZHATVQU-OAHLLOKOSA-N 438.506 0.426 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 783455141 MZBSMUCWSXKESM-KRWDZBQOSA-N 446.463 0.909 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@@H](CO)O1 787906072 HQSQWPFFBPHASC-VABVJXKHSA-N 438.506 0.046 30 20 ICED CCOC(=O)CON=C(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1cc[nH]n1 789954644 MEOGNVLBWBKUSF-UHFFFAOYSA-N 427.339 0.866 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)CC2)o1 796279614 KKCOQOIGXACAAB-UHFFFAOYSA-N 441.510 0.012 30 20 ICED COC(=O)[C@H](C)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 797286159 ZQKUQYPIFBTWIU-WCQYABFASA-N 445.519 0.147 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)[C@@H]1CCCO1 809307831 CXLIZBHOMMSTDK-RDJZCZTQSA-N 435.427 0.869 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 815680047 COEAGSSAGCATID-AWEZNQCLSA-N 437.478 0.557 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 815859779 MFFQAYRHOJTOLF-UHFFFAOYSA-N 447.561 0.947 30 20 ICED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916898854 IWVGMVHTZLOVGW-KRWDZBQOSA-N 426.454 0.768 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)C2=O)cc1 1115982316 QGQNZPIWQMGWBC-IBGZPJMESA-N 437.500 0.626 30 20 ICED CCOc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1148538177 VTXLDFGINCTRAK-OAHLLOKOSA-N 444.517 0.763 30 20 ICED CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1359638023 JLZXNIGGGQOIAF-RDTXWAMCSA-N 425.559 0.791 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1509684881 QEKXEOAUDVQXIJ-HNNXBMFYSA-N 435.554 0.170 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cnccc2C#N)CC1 1556823429 WRAHFFNLKXVHSL-SUMWQHHRSA-N 435.531 0.391 30 20 ICED CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615846007 STDKTCOYIMXHKW-LAUBAEHRSA-N 432.548 0.868 30 20 ICED CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC12COC2 1644411793 JOVKVPSPJORSCW-DLBZAZTESA-N 432.546 0.968 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918981 WTMUGKWAMYXIQO-AUSIDOKSSA-N 441.532 0.948 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020102 GTUNNHDKAAGSBR-ZZAWEDPDSA-N 430.553 0.881 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1779067324 SIHORXQOARPQKY-UTKZUKDTSA-N 438.546 0.092 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@H]2C[C@@H]2C1 1779102297 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C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C[C@@H]3CCOC3)NC(=O)OC(C)(C)C)[C@H]2C1 1787515012 RWNUEWFUQUKROU-VMXHOPILSA-N 449.548 0.919 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cn2cccnc2n1 1788310700 AWWYPGPOBAVBAF-YMZMDHBOSA-N 439.520 0.794 30 20 ICED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c(=O)[nH]c1C 1788601276 QDRPTFFFIHFNAN-GYUYVIAWSA-N 444.536 0.452 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661903 ZOHFPLFSQNYWDT-WZOKNAEPSA-N 446.504 0.717 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788744062 NQGOLQPWMPMDBZ-YSMJTFFMSA-N 442.516 0.247 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792876996 DEEMDDBDHHHPFP-XQVPTLPVSA-N 441.528 0.842 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)C2 1793345311 RMOBDCPHVUYOCC-TWRCCJGTSA-N 441.484 0.648 30 20 ICED 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COC(=O)C12CC(C(=O)N3CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)(C1)C2 1812879159 BZINLIYTUFNNDW-XAJPSOLRSA-N 425.441 0.519 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996599 KXLSTQXWLLTJDX-QUCXKQBISA-N 431.537 0.911 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049921 GRSNBSMOXCINKO-YCRPNKLZSA-N 438.525 0.906 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831398751 KGBLQBIZFGCMBG-WZONZLPQSA-N 425.485 0.975 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831406540 VPXFJVUATSLERK-NRFANRHFSA-N 436.509 0.482 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831488027 VDFONCBFSGCSRW-FRQCXROJSA-N 442.607 0.424 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832366281 BYKSJXNBNYANBK-OAQYLSRUSA-N 430.432 0.402 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)ccn3C)CC2)CC1 1833467334 PURNMEXSMVNCLV-QGZVFWFLSA-N 428.533 0.609 30 20 ICED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1F 1833488104 BEXLKPWDSMOCIZ-NRFANRHFSA-N 432.452 0.993 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833885094 AFCJAJVHZFSXBA-OPAMFIHVSA-N 438.488 0.826 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1833898719 GBCPEPHDMACQIV-NRFANRHFSA-N 448.524 0.092 30 20 ICED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835743704 VSXBCCMSBLVESV-UHFFFAOYSA-N 434.610 0.736 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835969948 YXDCLCDCHNKXLF-FQEVSTJZSA-N 440.928 0.976 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1837392349 DIPNTNBSHVKGQH-AUSIDOKSSA-N 437.581 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837453345 ZSOJFEKFSMYVKE-HTAPYJJXSA-N 449.504 0.881 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489525 LFHVRXWOVMXXQR-YQTDCCHMSA-N 448.516 0.261 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)C 1837564197 BXFSOJXLEKHNIJ-ZVIHDUAOSA-N 449.504 0.743 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1837677965 KYSVYQVAJGIPSK-WWMYMODYSA-N 440.541 0.549 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838149630 CDLSIUQUVZPXMN-GCJKJVERSA-N 434.537 0.855 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838829936 ZNKXYXMMZBWFMH-FQEVSTJZSA-N 436.534 0.865 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccc(F)cc1 1839037986 JMJBCLFRDAPARA-RBBKRZOGSA-N 446.479 0.763 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185982 UVXNRRLTYYNPAO-KSFYIVLOSA-N 433.480 0.979 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839228619 JZCXGVLHDYSWTC-IERDGZPVSA-N 434.493 0.465 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c1 1839710583 NMTVXZCNYLLCOE-VGOFRKELSA-N 438.488 0.789 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839956144 HGDYPUXAGIUSPR-DENIHFKCSA-N 434.558 0.966 30 20 ICED COc1cc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840043828 WLGIYPZZKCTDKY-FQEVSTJZSA-N 438.383 0.131 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274393 FHQDOWGENDDNAW-ZSHKSDETSA-N 448.560 0.693 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)c1 1840714500 WKUCNKHPYYEHPS-HRAATJIYSA-N 439.476 0.070 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841582695 PVIAWMVOKRKHRU-LXMKPWBVSA-N 430.527 0.047 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C(C)(C)n2nc(C)ccc2=O)C1 1844354489 PCTNQBDHJUMUGC-UHFFFAOYSA-N 430.505 1.000 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)C1 1844796566 NEUUCUFCAFDPQP-NVXWUHKLSA-N 443.504 0.931 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)C3(C#N)CC3)C4)csc2n(C)c1=O 1845014062 QKVWKJOMLYLFHB-UHFFFAOYSA-N 441.513 0.348 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)CCc2ccc(C#N)cc2)C3)c(=O)nc1O 1846968368 VJZJQVXVOQDSEV-UHFFFAOYSA-N 435.484 0.965 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1847806650 KJPLPVOUWJTWMG-VLMPBXDWSA-N 435.521 0.910 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 27307212 CSIDYMKRZPIBHW-UHFFFAOYSA-N 436.515 0.403 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 108759192 MBZXFRAMRFDPBW-FUHWJXTLSA-N 430.436 0.529 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 434576812 RYESVAIWUNBODP-DZGCQCFKSA-N 436.394 1.548 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 444505778 FCASYFLAVYXIFK-UHFFFAOYSA-N 430.490 0.658 30 20 ICED N#Cc1cccc(-c2csc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)n2)c1 446521934 NSRWUNNKESFYCA-CQSZACIVSA-N 434.499 0.628 30 20 ICED CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1(C)C 447289865 GMVKQYZGUFCIGT-IERDGZPVSA-N 429.452 1.504 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c2n(C)c1=O 465130350 OZKLKESDEVCECZ-OAHLLOKOSA-N 438.463 0.835 30 20 ICED COc1ncc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C(N)=O 475260846 CABXERBVAVWBGP-ZDUSSCGKSA-N 440.435 0.924 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 478991732 SLMAZQWJSKRCGL-QGZVFWFLSA-N 425.507 0.795 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCN(C)CC1 481166750 GFNDLQCETNFOAB-INIZCTEOSA-N 442.545 0.688 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2=O)cc1 486625682 FDSXOYPUCMBUCJ-QGZVFWFLSA-N 434.499 0.285 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 507779015 TYNQUSKBFNHKML-UHFFFAOYSA-N 427.461 0.647 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 522241545 WXXNQKDKGVXLLP-UHFFFAOYSA-N 449.330 0.671 30 20 ICED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)n(CCC#N)n1 533326454 SGONKPNWNNGGSH-UHFFFAOYSA-N 437.504 0.899 30 20 ICED COC(=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 539381283 QJCIDTVIOHOQNJ-CRAIPNDOSA-N 441.488 0.859 30 20 ICED C=CCn1c(Cc2noc(COc3ccc(C(N)=O)cc3)n2)nnc1N1CCOCC1 545644957 DHQYOBDLGIAUFW-UHFFFAOYSA-N 425.449 0.952 30 20 ICED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549440457 MQNWRBKDLJMJOO-UHFFFAOYSA-N 449.519 0.939 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCN1Cc1ccccc1 550888183 QBMFLPKNMAYHFE-OAQYLSRUSA-N 448.527 0.771 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 551879791 KCHTZXKFHMRBEK-JOCHJYFZSA-N 443.573 0.789 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 557722507 JQECSGHKLCVIIY-UHFFFAOYSA-N 442.455 0.952 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 558452487 NKHWIJMPXPFFBM-HXUWFJFHSA-N 427.465 0.802 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)C1=O 559861732 BRXYDTIWIDDJLQ-KRWDZBQOSA-N 444.467 0.988 30 20 ICED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 560264578 XSRLPCNIDXRFHQ-UHFFFAOYSA-N 428.470 0.632 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1 561414539 GRFQJNMYGLDJPM-FPOVZHCZSA-N 447.624 0.982 30 20 ICED CC1(C)CN(C(=O)C2CN(C(=O)Cn3cnc(C#N)n3)C2)c2ccc(N3CCOCC3)cc21 566511990 ANKZYIXZEMNRQF-UHFFFAOYSA-N 449.515 0.769 30 20 ICED N#Cc1ccc(S(=O)(=O)CCNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)nc1 574483857 JYXHXCFYNZSXNY-UHFFFAOYSA-N 427.486 0.089 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCn2cc(Br)cn2)C1=O 576497905 MHSHUQIZKBSABS-AWEZNQCLSA-N 426.315 0.787 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 588865740 HGIXLLYEEZCKPO-WOJBJXKFSA-N 440.500 0.824 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)nc1 590000187 FZZNHOQNSVOICY-OAHLLOKOSA-N 432.458 0.861 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 610425146 BSHBAECUCAWTEH-ROUUACIJSA-N 425.489 0.609 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)c1 615310933 OYQUNIBVZBDBJH-OAHLLOKOSA-N 429.458 0.964 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 729281488 DDXOPFJIMFVUJM-UHFFFAOYSA-N 425.283 0.056 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCS(C)(=O)=O)c1=O 729673327 ZBAGSHAIBWTKJP-UHFFFAOYSA-N 442.522 0.074 30 20 ICED N#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 735862363 OKCNXUZOYIKSNB-MRXNPFEDSA-N 442.519 0.255 30 20 ICED COCCNC(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742509954 HTFFESITJOYIQE-AWEZNQCLSA-N 436.534 0.505 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2scnc2C)c1=O 743728946 SSANJLIJWZCBPX-UHFFFAOYSA-N 431.587 0.752 30 20 ICED COc1ccc(Br)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 747764493 WYPOQVKZUPGGJU-UHFFFAOYSA-N 431.268 0.168 30 20 ICED C[C@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 749325878 FVLXLLPUULXDFW-JTQLQIEISA-N 437.503 0.913 30 20 ICED CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2O1 751988539 IBKJFENNSLQZCH-FWSRSQSESA-N 435.458 0.358 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 754437052 HDKPLGAEISUJQS-KRWDZBQOSA-N 425.470 0.273 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C1 755539118 ZVLVODOZIMXGPB-XJKSGUPXSA-N 427.461 0.786 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 756975620 JLFLUKREGDHLNX-IRXDYDNUSA-N 431.537 0.017 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758501483 RVXCPAICUBAGOJ-JKSUJKDBSA-N 436.513 0.125 30 20 ICED COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CCO2 769491987 HHWLCYYGMWELHI-SFHVURJKSA-N 429.454 0.691 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C=C)c2)c1=O 772332582 UGIDSHJOKALKSP-UHFFFAOYSA-N 430.445 0.955 30 20 ICED C[S@@](=O)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 775987550 KAFRMBKGHSWQJX-PRAQEBQASA-N 435.569 0.531 30 20 ICED C[S@@](=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 775987551 KAFRMBKGHSWQJX-WENCNXQZSA-N 435.569 0.531 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 780104907 SFVNFGKDMIYGJE-GOSISDBHSA-N 435.502 0.290 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)NC(=O)COc2ccc(C#N)cc2)cc1F 784898474 XVIHCJYJOXZRHN-UHFFFAOYSA-N 427.435 0.953 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)cc1 785339973 NNHBDRJMHFGGNL-JFLDFIPSSA-N 448.501 0.746 30 20 ICED C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 787351237 USKRCKMZEHRENT-HNNXBMFYSA-N 443.504 0.931 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnn(C)n2)c1 787662881 XUORRGHZFNWHDC-KQWNVCNZSA-N 448.509 0.058 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)c1cc[nH]n1 789954069 BEOAPMZOKJWZFT-UHFFFAOYSA-N 443.460 0.687 30 20 ICED N#CC[C@H](CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 795979247 AUIOIMJDCMPVDY-RTBURBONSA-N 433.530 0.948 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 798559946 AKVUEQKAPWILEC-VNQPRFMTSA-N 428.894 0.794 30 20 ICED C#CCNc1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc(NC[C@H]2CC(=O)N(C3CC3)C2)n1 804606122 YXQCXADBEAHXDK-GASCZTMLSA-N 438.536 0.762 30 20 ICED CON(C)C(=O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 813030260 XYMOYPOKVUSZBM-UHFFFAOYSA-N 425.449 0.644 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)Cc3ccccc3)CC2)o1 915375943 ANHJUSXMESHJBZ-UHFFFAOYSA-N 425.445 0.405 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)o2)cc1 918608862 OWACKIDDYJVIKF-RGEXLXHISA-N 426.476 0.992 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 918837051 HQCUAYCPLPKIHH-UHFFFAOYSA-N 437.518 0.945 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3n[nH]cc3C#N)CC2)cc1 1142808433 WSNDOJQTXZDMED-UHFFFAOYSA-N 430.490 0.842 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H]2CCOC2)C1=O 1251488715 GHTKPFJUQYNTBQ-UMSFUGNGSA-N 440.547 0.307 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCO2)C1 1302480190 QVDUPQJIEXEWCH-KEYYUXOJSA-N 428.490 0.232 30 20 ICED CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1302614482 WYRHVJMSGSSCSP-HUUCEWRRSA-N 441.579 0.821 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C(F)(F)F)c1 1309497456 QEEFEAWZCTVCDK-NSHDSACASA-N 426.442 0.913 30 20 ICED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1)N1CCOCC1 1510176936 HXNVSXRWMROUCC-JKSUJKDBSA-N 439.586 0.739 30 20 ICED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1510889303 PTZBSOJIDHXNAM-KXBFYZLASA-N 434.497 0.678 30 20 ICED CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1541044210 PUCMZGVZIABMDJ-UHFFFAOYSA-N 431.522 0.471 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1541996933 UAHPMIDEVRCRJH-LAUBAEHRSA-N 426.477 0.846 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C 1608564288 SRMAODQJDXVLOW-UHFFFAOYSA-N 425.497 0.098 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1619911327 PVGWMUDQBQAKGN-HXUWFJFHSA-N 449.533 0.870 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@@H](CS(N)(=O)=O)C1)CCCC2 1655770968 UMVFUKOSPGWSKL-HZPDHXFCSA-N 449.577 0.966 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1Br 1669645687 QJKKSILTADYSJY-KGLIPLIRSA-N 435.321 0.897 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1778890675 YNHYWBKAEKOJER-HTAPYJJXSA-N 430.505 0.856 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccccc1 1779184915 XZJOMYCFAPRMKU-DCLXLUIPSA-N 440.544 0.606 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1780762075 QVUWUWZPJHSOEM-NPFVIJTESA-N 435.521 0.817 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1781321550 VHHSCUWJTUGMGF-AUSIDOKSSA-N 430.501 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C[C@@H]21 1783531195 IMWLJEIUVADVOB-KFBXTKPPSA-N 435.521 0.412 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)C(=O)C1 1783564868 BVKMBPWBNZOGBO-JOCHJYFZSA-N 438.440 0.331 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1783661537 JPVWGBYVGFQFHJ-UYAOXDASSA-N 432.583 0.840 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086933 QEORCKLVCYAGSQ-JTSKRJEESA-N 436.553 0.944 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c1 1787430805 YRRDLWODHWZDFG-WBAXXEDZSA-N 437.456 0.975 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638093 QRNQWLZOVWEDJA-AUEKSGIPSA-N 440.493 0.052 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnn2c1CCC2 1790391444 BZHKSEMVJAOGSL-VXKJNVKJSA-N 445.520 0.952 30 20 ICED O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790566167 DXIRZQXGCBHZIJ-XZGADFANSA-N 441.488 0.807 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C 1794156624 ASGGTZSKRQIYGF-DMUMMCEESA-N 442.516 0.740 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2OC)c1 1794372646 NPKRZCLZSWRSRG-ALXJQNPVSA-N 437.456 0.882 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)c1ccccc1 1795359673 RFQIECHXNBFKEU-JTJHWIPRSA-N 432.542 0.818 30 20 ICED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1F 1795910937 BBUUJHFGGGUUFT-GISGIKCKSA-N 433.484 0.904 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cn2ncccc2n1 1797040596 JIOLKMDYNZFKQR-UPHUGPLXSA-N 437.500 0.631 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1797704922 VVMGBGOSRVVUJZ-RCLSDMTESA-N 443.544 0.921 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)C2 1800451289 UZCYZPXYEJMTIE-HIRMHNASSA-N 443.504 0.398 30 20 ICED Cc1nn2cc(CC(=O)N3CCCC4(CCN(C(=O)C#CC(=O)O)CC4)C3)nc2s1 1806451082 NHQBNFHXVBYUNX-UHFFFAOYSA-N 429.502 0.961 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1807205485 NVKLNIZYYODQQW-MBOZVWFJSA-N 446.504 0.660 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2)C(=O)O 1815079962 BRSZNVZVJZBKIY-UKRRQHHQSA-N 448.545 0.816 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817317938 JBYARTRZUADYCN-GDBMZVCRSA-N 449.512 0.748 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820976158 GHHMGZKBZOBNSA-RDJZCZTQSA-N 438.529 0.489 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617477 NGQAVKGSNBWOBY-YCPHGPKFSA-N 441.513 0.729 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1829261874 GUVGAJCMYJBYFM-QFIPXVFZSA-N 436.472 0.514 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1829266683 DOPAHCHLXZWNEI-YYDVJCTNSA-N 425.485 0.843 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830873296 OGJBANGTWVCKEG-KNQAVFIVSA-N 441.488 0.521 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1831396169 ACIOYTBLIGCJCN-YWZLYKJASA-N 440.447 0.695 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1831414341 ULTAJIZJGDFCCR-YLJYHZDGSA-N 430.567 0.540 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832340306 JKOJVLIQIJHGIA-GCJKJVERSA-N 436.553 0.684 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833536614 OCIRPWHFCJGANN-HXUWFJFHSA-N 443.485 0.559 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833543347 RMYSVBBDIMXIOJ-KRWDZBQOSA-N 434.581 0.759 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1833837471 CAXRZYAAENHINL-NRFANRHFSA-N 443.891 0.590 30 20 ICED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833908659 PCDYHUQZWFRWHP-HVHIPWAVSA-N 434.493 0.624 30 20 ICED CN1CCN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2)CC1 1834753807 RABIHAQXDQYCSM-QHCPKHFHSA-N 441.532 0.422 30 20 ICED O=C(Cn1cccn1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834882189 ODAJAFPPVPMMKR-JJIBRWJFSA-N 429.569 0.926 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CC2)CC1 1835093329 JGYFFOHGRMLXED-GOSISDBHSA-N 436.553 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835668172 WGKRDGHFBMZIPY-NRFANRHFSA-N 447.561 0.722 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835961648 QJKQNIPJTYFEHF-ARJAWSKDSA-N 430.509 0.159 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837108165 SSTVNJRSUXHOOC-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837737858 SGBOKGYVWHYDOH-SFHVURJKSA-N 435.521 0.773 30 20 ICED Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838204236 IKFDQAXUDBKEFA-VKIKPQBMSA-N 436.465 0.582 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598117 PELNTRZTOYZXID-OAQYLSRUSA-N 448.907 0.808 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1838785518 BYLKACKXRWNVJO-LLVKDONJSA-N 425.473 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N(C)C)c3)CCO2)C1 1838922889 OUIKPSGPXZVGPK-MBSDFSHPSA-N 429.517 0.861 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838951290 JANJGJUQXKGGKG-JRPXNJEYSA-N 433.530 0.787 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1839801723 YWNZRYKNSLWSMN-OAQYLSRUSA-N 449.529 0.393 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(=O)c3ccccc3)C2)C1 1839806582 TVJKNFJNWBTIJW-WMZHIEFXSA-N 427.501 0.675 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840161871 DERXITUFJOHVHE-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840168346 HHMCGYYQOMWVSH-JOCHJYFZSA-N 430.505 0.799 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1)C(F)(F)F 1840193957 QTJIIDGSMAHLJT-HNNXBMFYSA-N 426.413 0.379 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275046 RAQXIAMTKYLJGZ-BIRTWZNXSA-N 433.505 0.706 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840483634 XWFCZFIIIXDHCX-HSZRJFAPSA-N 436.468 0.850 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1840797418 PTRWQURYCKIRPE-QFIPXVFZSA-N 448.520 0.924 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)NCC)C2 1847068665 FYYGCJBQSFUWJJ-JKSUJKDBSA-N 449.552 0.814 30 20 ICED COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 16775834 IJALRUAFGWREFM-UHFFFAOYSA-N 442.497 0.830 30 20 ICED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C#N)c1C 105947630 ZNYXMVFPMZPHIB-OKILXGFUSA-N 439.538 0.678 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 433893442 GKHHXOFLPAVAQR-OAHLLOKOSA-N 448.487 0.716 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C(F)(F)F 435153821 OPLKYEZLUJNJLY-UHFFFAOYSA-N 438.409 0.963 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)C1=O 440271649 VCQPHWMGAZKMSN-PBHICJAKSA-N 439.476 0.662 30 20 ICED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442005096 UHNLRAGAPXCALF-MRXNPFEDSA-N 447.451 0.767 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1OCC(F)(F)F 442254189 CTIUDJBQNUJWOA-CYBMUJFWSA-N 428.367 0.537 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CCC2 460655134 IUYMGAJOILMJKQ-KRWDZBQOSA-N 448.487 1.423 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cn1 460818460 VKIQPOJNYSMEAQ-HXUWFJFHSA-N 445.483 0.960 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1[N+](=O)[O-] 466942472 BTXUQZSYZJYQBE-LBPRGKRZSA-N 449.449 0.161 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccnc3OCC(F)F)CC2)c1C#N 472854253 LFMWSMDXPWPYDF-UHFFFAOYSA-N 433.419 0.926 30 20 ICED COCCN(CC(=O)N[C@@H](C)C(=O)N1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 475759613 MCGZZKDFAMXMIT-INIZCTEOSA-N 436.534 0.713 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480308475 YYVLWNSOKPIEND-AWEZNQCLSA-N 442.563 0.545 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 483117388 IHDFSCHSJLGNKI-UKRRQHHQSA-N 447.469 0.510 30 20 ICED N#CCCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCCO2 486252547 PZKKISZVLRZEGL-GDBMZVCRSA-N 433.486 0.740 30 20 ICED CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 498863113 YJQODLDRVIWEAV-ZDUSSCGKSA-N 426.433 0.192 30 20 ICED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 499680362 VDFMLRGRWFKNJO-XIKOKIGWSA-N 428.468 0.790 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505689832 JWRGMHCNZSDBAX-UHFFFAOYSA-N 437.525 0.597 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 505998913 ZVEWWHWOOUMZJL-GOEBONIOSA-N 437.518 0.781 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C1CCN(C)CC1 518724317 VBMAZXSKCPWSGK-UHFFFAOYSA-N 426.542 0.743 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 520441419 UVSCNGXNABERTJ-LJQANCHMSA-N 432.484 0.519 30 20 ICED CN(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 523516202 RULOFMLJVAEAGR-UHFFFAOYSA-N 428.396 0.831 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CC(N)=O)c1=O 532447853 BQFFKPIFHNWJGT-UHFFFAOYSA-N 443.481 0.990 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533061020 PLMSMZIERYYCLG-SZMVWBNQSA-N 427.592 0.739 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 542297425 HIFYFKFKQIPCIA-UHFFFAOYSA-N 426.433 0.359 30 20 ICED CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 550477488 MZCFOGVZBKRORE-FQEVSTJZSA-N 447.495 0.841 30 20 ICED CCOC(=O)C(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 550527119 LMCMJXJUEXPDBS-UHFFFAOYSA-N 436.534 0.665 30 20 ICED COCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C 558039962 AJHHLAUDNFYDMN-WMZOPIPTSA-N 431.512 0.961 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc1 558060427 IKRKJAKBJWJYOL-AWEZNQCLSA-N 438.410 0.271 30 20 ICED C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569045629 OSXTURJPOGQXKZ-OXJNMPFZSA-N 425.533 0.964 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 576673326 AFVCWMSUOJDNOV-KRWDZBQOSA-N 429.458 0.834 30 20 ICED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)C1 580597644 COJUQRZYYAGKNR-ROUUACIJSA-N 433.578 0.849 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)cc1 604096574 ZBTJDTUXKQSHII-UHFFFAOYSA-N 434.548 0.998 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@H](C#N)c2ccccc2Br)n(C)c1=O 609590678 DVRLDVZDCXVOTF-GFCCVEGCSA-N 431.250 0.577 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610683935 ZOVJDKHIARNPNM-CVEARBPZSA-N 434.504 0.946 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 684535480 PRLOTTXAVXBYLJ-QGZVFWFLSA-N 448.504 0.442 30 20 ICED COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(O)cc1 729280819 WCADBRBPXGMFQG-HNNXBMFYSA-N 445.497 0.969 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 733148956 QZIFPSXXALEBQB-KRWDZBQOSA-N 426.546 0.944 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 747993246 HCJJLKIUMCZAAN-HOTGVXAUSA-N 427.505 0.622 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 750391041 DPUPDGPCHIGUEG-CQSZACIVSA-N 428.449 0.065 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(Cl)c2)c1=O 758050137 CLMXHGINKSAVTR-UHFFFAOYSA-N 431.876 0.697 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cccc(OCC)n2)c1=O 758077220 SWQQAXKPPDSDJW-UHFFFAOYSA-N 431.477 0.873 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(COC)c2)c1=O 758090148 MXMVFQBUBIUKDY-UHFFFAOYSA-N 439.562 0.768 30 20 ICED C=CCc1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1O 768250112 NRHSGWOZCNZREX-KRWDZBQOSA-N 444.575 0.764 30 20 ICED CC(=O)N1CC(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 788158900 MRRWLVDZIJVBIT-UHFFFAOYSA-N 427.417 0.476 30 20 ICED N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)ccc1C(F)(F)F 800035602 IOGLGQBEIJMZEH-UHFFFAOYSA-N 427.426 0.517 30 20 ICED C[C@@H](CC(=O)NCC1(OCCO)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 800668800 ISQZHRNGENNCAK-AWEZNQCLSA-N 425.507 0.178 30 20 ICED COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 802444113 KSNLSBIHHUGNCL-OAHLLOKOSA-N 433.538 0.733 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 806026803 LRLXJXDSBMLZIC-LJQANCHMSA-N 442.516 0.976 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)(C)C 807535699 CHPDRELPZZEJEJ-QGZVFWFLSA-N 437.518 0.819 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCC(O)(c4cccnc4)CC3)CC2)c1 809329480 BXIFETRXBMQPKP-UHFFFAOYSA-N 434.500 0.943 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1OC 916198919 XMBSDGAIOCQQOG-UHFFFAOYSA-N 445.541 0.991 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 918729454 DCSGIQLDAWLEBP-UHFFFAOYSA-N 444.900 0.839 30 20 ICED CCN(C(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 919548079 KWLRWVUWNGNZOP-MRXNPFEDSA-N 431.474 0.519 30 20 ICED N#Cc1cn(CC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c(=O)nc1O 1138211922 JGVMROHEAXHZHD-CQSZACIVSA-N 437.334 0.419 30 20 ICED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1186610139 TZQGZVLICTWJFB-UHFFFAOYSA-N 446.323 0.817 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1359468973 VMVPLMWMSXZIDD-MGPUTAFESA-N 448.549 0.943 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1539600631 SVGUSUXZFNFGGO-NWDGAFQWSA-N 432.344 0.804 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1611333465 URASACRLOSUVGS-CQSZACIVSA-N 431.522 0.552 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1617284420 QEHORRAJDKYXTE-UHFFFAOYSA-N 430.534 0.442 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1618469227 RHLOKYCGKPFFPV-JOCHJYFZSA-N 425.537 0.652 30 20 ICED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1618526399 JEFFAXOIXVCCNF-OAHLLOKOSA-N 425.493 0.813 30 20 ICED CS(=O)(=O)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1731005353 QAOGDWZQEPTMKW-WMLDXEAASA-N 433.490 0.954 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1741133851 URGYVGBXLKXMDS-CZUORRHYSA-N 437.501 0.789 30 20 ICED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1760362391 JKMKJWUNXZRACQ-DOTOQJQBSA-N 448.549 0.553 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1)C(=O)O 1780408415 SPAQZNONDJGJJN-JBYIUTFZSA-N 428.489 0.748 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1ccnn1 1781300508 XFTRNDRBQZHDKU-YCRPNKLZSA-N 426.452 0.922 30 20 ICED 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 1783995329 PEBOLZNEBDZENH-QTVXIADOSA-N 431.555 0.170 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CNC(C)=O)[C@H]2C1 1784644364 YGBBGULBFTVCJV-BZSNNMDCSA-N 437.537 0.638 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nn1 1785380149 OEYFXZFDMVOHOR-QFIPXVFZSA-N 437.456 0.879 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562220 FTJSPVCCRKSRQO-CGBFIWBNSA-N 429.473 0.082 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1787514467 BCJVUJPWYGPGIQ-DVMWJLJYSA-N 426.517 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(OC)ccc3[N+](=O)[O-])[C@H]2C1 1787750380 TZSGGNBIBUZALG-AESZEHBQSA-N 446.460 0.630 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788771062 JYWDYLPTUWFZFT-TUFLPTIASA-N 442.516 0.232 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789842988 ZNOXRGHFELEHPV-SNRMKQJTSA-N 444.488 0.445 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c1 1790583563 LPIDOUNRLMWQPV-IEZWGBDMSA-N 439.447 0.548 30 20 ICED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835001 GVTPGJKRTXAMIW-CWPLJXCYSA-N 432.908 0.552 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1 1793256857 VOKIJYKIMFYTKS-OPMZPASUSA-N 430.526 0.636 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 1793896085 NSXORMQACXPSRD-LAVAIGHBSA-N 431.558 0.734 30 20 ICED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n[nH]1 1794560023 CJEBSYHKWFOKJT-COGMPDBYSA-N 433.465 0.345 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)ccc1F 1796958533 CTOJTPHEDBMMOS-HGKCTWBKSA-N 449.446 0.581 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796995052 DJYFUUSFNQZXKX-GGXPGOJBSA-N 438.484 0.175 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1797785020 DBHBCKAYHXLFJK-OPMZPASUSA-N 431.533 0.287 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccccc1 1797876626 KLPIDHQWWBNYAH-BFUACXKISA-N 440.544 0.366 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(NC(C)=O)c1 1798607064 KKPCREHFHFDDQE-WMIGDMCZSA-N 443.500 0.895 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799191569 HISWCOIMJYLLQX-OKYOBFRVSA-N 435.569 0.157 30 20 ICED C#CC(=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 1800452097 DRQRSKIQBYRGNZ-DFGXFYAUSA-N 433.505 0.378 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802119047 QPDVCVOFWMLJHA-JTJHWIPRSA-N 443.544 0.888 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807882841 YAFPJZUKAYWEIU-MXNKGDRCSA-N 441.576 0.762 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810327330 NCZFADILXAXQLC-RXVVDRJESA-N 447.557 0.831 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813472753 GAOXCKJMPIXOLH-WDYCEAGBSA-N 441.492 0.845 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819396069 ZNPUMJMRDMUHNH-GNFOSXPUSA-N 449.556 0.160 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819476894 KJNNNXRJVTZLPN-ZRLCCKPJSA-N 429.481 0.707 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)S)CC2 1819861739 HRRKDHGCTATHDO-KDDOJWQBSA-N 429.520 0.868 30 20 ICED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(N)=O)CC3)ccc1F 1822969029 GFRAMXHNRQRRFV-LBPRGKRZSA-N 430.465 0.977 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3ccnn3)sc2C1 1824676653 HGDNSZSZEJUBRL-JSIVBPPZSA-N 429.506 0.766 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)no1 1828987029 CAHGYLBAHMMBCW-KRWDZBQOSA-N 430.461 0.421 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904866 YGAARQXQMKPNSC-UZUQRXQVSA-N 440.500 0.248 30 20 ICED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1830005277 HYPLPWMTSNYSPJ-NHMXVPMISA-N 446.548 0.887 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456534 LGDIJSBLZWSELO-GMAHTHKFSA-N 429.517 0.964 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462818 OVTCXQJTEYRWKA-JOCHJYFZSA-N 428.489 0.083 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1831399496 VMMQUSJFINIKFY-BTYIYWSLSA-N 449.435 0.842 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1831404517 PWAJAQBMKXMDRO-GHTZIAJQSA-N 425.526 0.340 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831689340 LQSGIZFBULGVQD-HXUWFJFHSA-N 427.567 0.524 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831747618 FKZLYANMDYOEDW-SVASYYEISA-N 439.494 0.137 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832050574 MHLVKPUDWVGWSX-AUSJPIAWSA-N 443.566 0.771 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832762501 FMDCOXDSHBHBFA-HTAPYJJXSA-N 431.489 0.127 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832819636 LLHMPTBZCFTNKM-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033006 HAQNGTJCTGLWCQ-SCLBCKFNSA-N 427.548 0.253 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833123443 UCQNWBDLXGWPBB-APWZRJJASA-N 434.581 0.657 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C 1834116486 GJPSDMCRFUDFHY-OAQYLSRUSA-N 432.525 0.080 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cn1 1834174142 RGNQILZBJVDPCU-QFIPXVFZSA-N 441.463 0.744 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1834674818 YPGDFRRPKCKGAZ-FQEVSTJZSA-N 440.548 0.336 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1834716750 UYCJPGOYWQIITI-UHFFFAOYSA-N 430.557 0.132 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCNC(C)C)CC2)CC1 1834780151 VXKWPDQPRCMNNB-WAYWQWQTSA-N 433.597 0.805 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1 1834992674 QIYLOQOQRNTIAU-HSZRJFAPSA-N 428.533 0.967 30 20 ICED O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCN1 1835102409 RACDTFLXCGMWLA-XXBNENTESA-N 425.485 0.021 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449744 QZOZDHKJJWFWET-LJQANCHMSA-N 431.480 0.377 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835667489 FQSAAQBMFUQDLX-UTKZUKDTSA-N 434.493 0.051 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836062583 CKVDOPZNQBNQHA-SFHVURJKSA-N 431.537 0.941 30 20 ICED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)ccc1F 1836409092 GTAURAKGPRMXGD-UHFFFAOYSA-N 443.527 0.295 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836574379 UQMIJYYDOOYASW-HTAPYJJXSA-N 426.473 0.443 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)CCO2 1836599561 PIMNWCRKGSVASV-FGSXEWAUSA-N 446.887 0.988 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2)C(F)(F)F 1836874084 JBZMKTRWGBBXBP-SFHVURJKSA-N 439.394 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977870 PIKIAJLZIRAKHG-WMZHIEFXSA-N 446.548 0.863 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837441998 LGXBGIKRXLMPPP-FDCKDHBTSA-N 444.536 0.337 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838211641 YOSSXQDLUCBUIH-QHCPKHFHSA-N 435.484 0.969 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1838409291 FIQHMLUJUWBYSP-BRABVMKYSA-N 430.505 0.833 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1839228442 DOQDEODGPBUNJX-DRSNIGMVSA-N 447.536 0.772 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1839808077 JSCAJUZZZYAGKF-XFQAVAEZSA-N 439.484 0.424 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1)C(F)(F)F 1839892389 LCHKZUOINNPDDE-SFHVURJKSA-N 428.411 0.984 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1)C(F)(F)F 1839894431 BWASLQVPLYDDAC-XJKSGUPXSA-N 426.457 0.675 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840166957 NCEZJFJSQJBUFX-OAQYLSRUSA-N 433.530 0.738 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840797676 ZBKPKSYPYMZVOH-QFIPXVFZSA-N 433.505 0.643 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)CC(=O)N5)C3)C2)CCC1 1840814110 OXRRVHRLYDDKJE-QHCPKHFHSA-N 438.484 0.945 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1840843167 YKPSRLZSXOQCEV-JOCHJYFZSA-N 439.472 0.923 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)CCC#N)C2)C(=O)C1 1842815312 MGXMPNXPPVQHRN-UHFFFAOYSA-N 433.509 0.573 30 20 ICED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1)c1cccs1 1842874064 WGLLUBFEVSQHAC-SNAWJCMRSA-N 427.419 0.415 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845581858 OOCWNXVJMIFICW-MRXNPFEDSA-N 426.433 0.316 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)NCC(C)C)C2 1847070723 QBNWWEKGCZQVMR-MRXNPFEDSA-N 434.537 0.879 30 20 ICED N#Cc1ccc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)nc1 195578331 TXNDAVNJBOEUGK-UHFFFAOYSA-N 430.468 0.674 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 254494325 ZMBOZILAGMCSSK-UHFFFAOYSA-N 432.505 0.715 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2C#N)c1 439379357 ZHGCKJFVZNAQIR-UHFFFAOYSA-N 429.458 0.468 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2OC(C)C)CC1 440046380 CQQTZKSDFLXQFW-UHFFFAOYSA-N 446.504 0.645 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1=O 440259223 KKHPJAKVCPRVRR-OAHLLOKOSA-N 438.481 0.549 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 441712426 GMKWMIYHWPVQCK-HZPDHXFCSA-N 449.533 0.303 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cc1F 441939754 BIIPSCRTNNTESM-CQSZACIVSA-N 443.500 0.876 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 442946696 CULNZRIIIRYQDH-UHFFFAOYSA-N 445.339 0.785 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)n1 446539281 LKQJJEMXTXBKBU-UHFFFAOYSA-N 439.520 1.420 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)C1=O 464366598 MOHNZDQOFIKHPH-CQSZACIVSA-N 446.891 0.919 30 20 ICED CC(=O)N[C@@H]1CCCN(C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)C1 475761412 QOANOJIAOQHIPH-RTBURBONSA-N 448.545 0.855 30 20 ICED COc1ccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 479467683 LDDIZFZMIKZVKO-UHFFFAOYSA-N 440.504 0.625 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1C(N)=O 484265758 ZCUKIDQKRKPXKH-UHFFFAOYSA-N 431.493 0.586 30 20 ICED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488643939 DEPVCOSIZVKNRG-KRWDZBQOSA-N 440.481 0.818 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 508657859 UBPYXZONLZFZQS-INIZCTEOSA-N 444.410 0.901 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1)C(N)=O 508970127 OVFTZGORWSHRJL-UHFFFAOYSA-N 430.509 0.672 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)S1(=O)=O 509776335 VQSKRHRBSRSUIU-CZUORRHYSA-N 430.490 0.561 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1 510237072 OCVAVWQGOYJFKK-VQHPVUNQSA-N 448.615 0.682 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccc(S(N)(=O)=O)c1 514741403 IHWOCOPWMKMNJG-AWEZNQCLSA-N 442.501 0.127 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccnn3C)c2=O)CC1 516832371 SRJGWJQFOXYRMC-UHFFFAOYSA-N 449.540 0.447 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1=O 523314153 LYOZNSIWLCRYJG-UHFFFAOYSA-N 427.461 0.183 30 20 ICED C=CCc1ccc(OC[C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(OC)c1 533056962 KSOWKLRCDCHUBY-CEXWTWQISA-N 440.562 0.251 30 20 ICED COC(=O)CN(CCN1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539453144 LRTFOQDDVYWNEF-SFHVURJKSA-N 449.577 0.264 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC3(CCC3)C2)CC1 545396429 MOPVCPYTRHIIDS-UHFFFAOYSA-N 432.546 0.894 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 548617086 DNXLWNNVSCZJFY-INIZCTEOSA-N 425.510 0.456 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C2CC2)c1=O 549550581 JLOWYHASVFUNIY-AWEZNQCLSA-N 428.514 0.586 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ccccc4)CC3)CC2)nc1 550827269 WEBVQAQCVWYWPZ-UHFFFAOYSA-N 447.543 0.540 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)nc1 554715187 LTFZYYFPVPRFGU-OALUTQOASA-N 426.521 0.096 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 557153557 FFZHSHIASBEOQB-OAHLLOKOSA-N 427.548 0.837 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 557705123 KYBFZUZCNNCDCJ-TXPKVOOTSA-N 427.505 0.395 30 20 ICED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 567388147 GTJMZJXUOBECPV-CKEIUWERSA-N 434.518 0.450 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 577737193 OBFLVBNJNUDAMU-LBPRGKRZSA-N 434.396 0.936 30 20 ICED COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)o2)cc1 584861961 NVNUVRRGDJGVNN-UHFFFAOYSA-N 435.443 1.551 30 20 ICED COc1ccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)cc1[C@]1(C)NC(=O)NC1=O 608927333 HIJLPYQDSQSLRI-SFHVURJKSA-N 432.462 0.969 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 675602328 XTLNACFMTWDMAT-UHFFFAOYSA-N 431.537 0.544 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1F 732910986 WSNXTPWONMOPTF-DOMZBBRYSA-N 427.429 0.498 30 20 ICED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1 734842337 IZIIRXIKPIEARV-CYBMUJFWSA-N 444.487 0.891 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742502932 MDRQUIAFDPQAJT-CABCVRRESA-N 447.561 0.315 30 20 ICED CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749753332 XPICOMKDRMRZOQ-VDVBZYJVSA-N 442.563 0.668 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 754294152 MDNVFKJNWFYVOT-SNVBAGLBSA-N 438.300 0.341 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 760261839 OMZPPKFBNBLFLF-OAHLLOKOSA-N 428.480 0.772 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3c(Br)cccc32)c(=O)n(C)c1=O 771896654 FWFNOODLXQUHCT-UHFFFAOYSA-N 443.279 0.312 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCCO1 775785938 SUCIPWLNLGNCAA-ZWKOTPCHSA-N 436.490 0.198 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 783899522 MVALCFWXLCVXKE-UHFFFAOYSA-N 443.441 0.525 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)n1 789788314 HDBADCFPAAECDC-UHFFFAOYSA-N 447.517 0.892 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)c[nH]1 794608664 LDYHQZXLJWVDQI-ZDUSSCGKSA-N 427.482 0.858 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccn(C)c3)c2=O)cn1 794613093 MCDBHODMVOEDLC-INIZCTEOSA-N 437.525 0.953 30 20 ICED C#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 798802994 GJJROBRTSMSFBJ-UHFFFAOYSA-N 436.921 0.938 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 810463345 UANDAAMXUAHKTQ-HUEFVVPSSA-N 444.517 0.835 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 813980351 BTRSMZLQAUFSQU-LJQANCHMSA-N 425.426 0.152 30 20 ICED CN1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C2)C1 815746839 WOIWOMFIFVFYLR-XJQMLFBMSA-N 447.561 0.992 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=O 902500551 GKDXBFZPIMLELW-UHFFFAOYSA-N 427.436 0.592 30 20 ICED COCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918291532 PHRXVDVSQABGRN-FXBPSFAMSA-N 440.522 0.559 30 20 ICED Cc1nn(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c(=O)c(C#N)c1C 1251351663 OPBWDQJOSJMKDL-PXNMLYILSA-N 438.469 0.980 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1314923301 LGEFBGALLRLIJM-XLIONFOSSA-N 430.534 0.507 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1505121974 QHADSHFUTKPCNS-PXNSSMCTSA-N 431.518 0.982 30 20 ICED CCOC(=O)CN(CC(N)=O)C(=O)COc1c(Br)cc(C#N)cc1OCC 1542350964 XLHCEHLHARMBFO-UHFFFAOYSA-N 442.266 0.975 30 20 ICED CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1596278926 YQDACHFFACWPSJ-UHFFFAOYSA-N 436.564 0.945 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1619912867 OAYQORFAWOLVPZ-HOTGVXAUSA-N 442.542 0.156 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2=O)ccc1Br 1633613069 RLKDKWXJGLZNMD-AWEZNQCLSA-N 446.261 0.813 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1696512530 PNKVCRJYTUEOFF-PMERELPUSA-N 430.534 0.880 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1711318937 QFBRPTBWUUDXET-LJQANCHMSA-N 431.522 0.328 30 20 ICED CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723089413 CDACPQYVRZNNLV-NVXWUHKLSA-N 449.581 0.129 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1731184912 LBIJJZYSRRBODO-AEFFLSMTSA-N 442.501 0.892 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1741803743 SKFRIIRNNYWRHX-IAGOWNOFSA-N 437.614 0.945 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1751095112 UIUWEZYBJXTTSZ-GDBMZVCRSA-N 431.522 0.946 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)C(F)(F)F 1778355983 BIWFKXWJQPACKR-SFHVURJKSA-N 432.443 0.099 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778356643 MOOLDPRGBFCYSQ-LJQANCHMSA-N 428.480 0.192 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779232183 CUBQVJIANMUANC-VGOFRKELSA-N 430.505 0.155 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)C#N)C3)no1 1779432184 PVCIKCVGBLSMBX-IIBYNOLFSA-N 431.493 0.777 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937148 REYWCGGRJYZFQZ-OPAMFIHVSA-N 445.520 0.686 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1781400068 HJDXUWOGIJVVRG-LPHOPBHVSA-N 444.554 0.043 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783904311 WZWHACPJXKYGSU-VGSWGCGISA-N 436.553 0.862 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512396 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C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797713427 NEMATSZUVCKJAA-NBMJBFSESA-N 427.501 0.706 30 20 ICED NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494615 SHUZUGXXUJEWJS-BLRDNKIZSA-N 430.465 0.356 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1Cl 1798589748 XBHQVSLAEXHWTD-DMVWFOPNSA-N 445.863 0.013 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800231907 JTZFPSUODRDAKI-VXIBKDFQSA-N 436.505 0.836 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)C(F)(F)F 1800550464 QYZAXWNOXIJLSK-DDFAGTSDSA-N 448.423 0.160 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(Cl)c1OC 1800774171 CSXJPFPVCZEHGH-KSPBDQMDSA-N 436.848 0.648 30 20 ICED C=CCC(=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 1801002269 KYEPIEUDGQKXMY-KMWNMMNJSA-N 435.521 0.931 30 20 ICED 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433.490 0.781 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)S)CC2 1826649591 DNRIGKPELFLYBS-NURSFMCSSA-N 436.563 0.844 30 20 ICED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)COC1 1829907213 ATDJEZBNAUHUDC-HSZRJFAPSA-N 427.501 0.984 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830345421 FTIIPCDUKQILFJ-WMZHIEFXSA-N 448.516 0.801 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831406108 USWHTPSVYLYPCF-JOCHJYFZSA-N 439.553 0.588 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)C1 1831482287 CVJFVPCWFUXOJW-BIZBXSGISA-N 442.578 0.987 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832360094 PFBUGZJQKYULDP-WZONZLPQSA-N 431.533 0.647 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1832456605 TUBOYQSCASEDEC-QUCCMNQESA-N 428.551 0.950 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](N)[C@@H](C)CC)CC2)CC1 1833075915 GRNYYBQLBGXWAA-MIPIJZKVSA-N 433.597 0.790 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833428998 ZVNCHUBJWJPNTP-UHFFFAOYSA-N 425.489 0.773 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833450864 MIXPGBKICYIKLB-INIZCTEOSA-N 426.583 0.299 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cocn1)CCO2 1834513083 JQKWODXUECXVLM-OAQYLSRUSA-N 426.429 0.695 30 20 ICED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1836833444 SZKBZBATOSMJTR-VQYZLWMVSA-N 438.525 0.650 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837099593 ZWPKQXGGVLSMFZ-OPAMFIHVSA-N 426.473 0.671 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837244870 YYJDIHPRYWDMNX-UGDMGKLASA-N 447.557 0.981 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837397692 SDGFRDBQMZZRIX-VGSWGCGISA-N 443.504 0.601 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)[nH]1 1837526142 SQKVAFWNMOPWBN-WGAVVDLZSA-N 435.481 0.317 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1837589000 YSZWKBNLKUUTKT-HSZRJFAPSA-N 444.532 0.416 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837861071 ZGRACUXRHVVMCA-UHFFFAOYSA-N 447.584 0.107 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838643126 FXOKBDPUVRZYMG-UHFFFAOYSA-N 426.510 0.503 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)ccn1 1838720836 BRFNOFPWJAMROT-NRFANRHFSA-N 430.461 0.632 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1838905992 KQNQVVKEBXPFRT-FQEVSTJZSA-N 431.518 0.645 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)cc1 1838950739 AVODKWCYTXWDPF-OAQYLSRUSA-N 439.428 0.143 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)c3cc(OC)ccc3OC)C2)C1 1839810662 KRQSBHLRBWRINI-HSZRJFAPSA-N 444.484 0.756 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840294294 APEHYAGZXIYTSV-NFBKMPQASA-N 434.581 0.272 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840346720 LNOOXUOQVIGQRA-WMZHIEFXSA-N 448.564 0.920 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814847 IWTCETCLGJLYKU-OAQYLSRUSA-N 429.477 0.639 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840840420 RFROAXCPJCDBNC-URXFXBBRSA-N 425.529 0.913 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1841746696 YZOXRNHIBTWTPP-QGZVFWFLSA-N 436.553 0.991 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844332769 ALFXQDBLOVXEIL-JAUGKAAISA-N 444.492 0.327 30 20 ICED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824690 TVCHBQBYXPBEED-UFFVCSGVSA-N 427.417 0.672 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 9082999 FJEGEOPGHHEBHS-ACJLOTCBSA-N 449.485 0.423 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 409556497 QMTMXRQWMFGIKE-AWEZNQCLSA-N 434.927 0.115 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C 410098566 YTMKZHJFZRLFPT-UHFFFAOYSA-N 433.555 0.833 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 465321960 JVLUBOHYCULNCX-HNNXBMFYSA-N 441.467 0.706 30 20 ICED Cc1c([C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C)cnn1C 469957075 LOYGDFFHPVANKD-XLIONFOSSA-N 444.517 0.309 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)cs1 472818525 LWQXHGILQROWTO-UHFFFAOYSA-N 437.478 0.934 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 487023371 YFQGYJSMLRKQNY-KRWDZBQOSA-N 433.534 0.783 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 495300829 WWWNCRRZUGVPMV-OAHLLOKOSA-N 438.440 0.946 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(Br)c2)c1=O 502047021 VEBWTJJCICULTB-UHFFFAOYSA-N 440.344 0.633 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C3CCC3)CC2)CC1 502550305 AWZFHMJDYJTAGW-UHFFFAOYSA-N 431.562 0.561 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccc2)c1=O 505640191 ROAWLSASZGJBGL-UHFFFAOYSA-N 433.537 0.976 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(OCC(F)(F)F)c1 508362607 UUSYVJJVZWRWBQ-UHFFFAOYSA-N 440.338 0.632 30 20 ICED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508735874 XTDGMDSRRRGMGO-UHFFFAOYSA-N 447.463 0.115 30 20 ICED C=CCn1c(-c2ccc(C)s2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508913565 PNPAFMZFDVRNEL-UHFFFAOYSA-N 428.522 0.968 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)C[C@H](C)O1 512157179 WJAAYMIXIGLGJV-IRXDYDNUSA-N 438.525 0.858 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 514309040 YMHNNPDGAKPIJY-HZPDHXFCSA-N 436.509 0.818 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCO2 522692429 HPUVOMQEIDUKHZ-UHFFFAOYSA-N 432.461 0.828 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(C(=O)NCCCO)CC3)n2)c(F)c1 542997140 UKRQKVXZMPJMJW-UHFFFAOYSA-N 442.451 0.559 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)n2)c(F)c1 543926469 ODPMEFDWIOOYLG-UHFFFAOYSA-N 448.480 0.657 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C1CC1 546075110 PVOOPVQQWQCESG-UHFFFAOYSA-N 425.466 0.787 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)ccc1Br 551098541 HSPLZXKANNLCGX-UHFFFAOYSA-N 429.296 0.786 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2)c(F)c1 552894905 SFQNQUOOHDRKFM-IEZWGBDMSA-N 436.509 0.138 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 558055639 MLZARUFBZSRLBR-LPHOPBHVSA-N 441.532 0.473 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)ncn1 562171189 QEJYNEKRSTWRTG-LJQANCHMSA-N 448.531 0.739 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)cc1 564505906 POUGXSAYALIFSO-UHFFFAOYSA-N 441.513 0.900 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 604168698 IJLKWAIYINEWOQ-UHFFFAOYSA-N 436.472 0.951 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@H](C#N)C3)CC2)c1 609268682 REFMKYQTOBMYKF-GOSISDBHSA-N 448.545 0.668 30 20 ICED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCN2C1=O 611430220 QXKLSPBNMDDKIP-RTBURBONSA-N 442.495 0.503 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 674482753 YCTYQPZZKWTLEW-LRTDBIEQSA-N 442.476 0.769 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1CCOC 728038952 BZSPPAHRZVWGAC-UHFFFAOYSA-N 427.404 0.704 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 728536305 TUXMKQJZHSBXEZ-GOSISDBHSA-N 442.541 0.298 30 20 ICED CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 735887347 RZVFQBIGYODQHX-SAZKUCFMSA-N 435.550 0.896 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3(C#N)CCC3)CC2)c1 736838528 CJUCMRHNTHAVPY-UHFFFAOYSA-N 433.486 0.959 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744037524 XLEIMNXIPDVWGZ-YHUYVZNPSA-N 439.468 0.615 30 20 ICED CCc1c(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cnc2c1c(=O)n(C)c(=O)n2C 754539453 IHFQYJHFYLHACN-UHFFFAOYSA-N 441.469 0.493 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2COC(C)(C)OC2)c1 755513401 JEFBVVNDUOICIK-CJLVFECKSA-N 438.506 0.706 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758075361 FVKBCPAGAZAJAN-UHFFFAOYSA-N 425.510 0.980 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 765640252 BKFBSSYCDWPVDX-GFCCVEGCSA-N 425.492 0.105 30 20 ICED Cc1noc(C2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C2)n1 765893821 BZMLSKVNUWLQHE-XQNSMLJCSA-N 446.489 0.755 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771440224 QCHWPBLIMVRWGH-HXUWFJFHSA-N 432.433 0.326 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@@H]1CCCO1 773795725 WVGPXEDIBFEWDT-QUCCMNQESA-N 438.484 0.736 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 779084682 AHBCBERQJCJNFX-MSUUIHNZSA-N 437.453 0.914 30 20 ICED COc1ccc(NC(=O)COC(=O)c2ccc(C#N)[nH]2)cc1S(=O)(=O)N1CCOCC1 786091184 FGPKHTHXJYHDBE-UHFFFAOYSA-N 448.457 0.711 30 20 ICED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787044892 IDXJOTPRTCCOKD-JKSUJKDBSA-N 436.472 0.800 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 787257880 NYGPZONUCQCDBH-UHFFFAOYSA-N 430.472 0.495 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)c1 801617943 QLVDMFFWSUUQKH-LTGZKZEYSA-N 443.551 0.701 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)n1 807694645 JPCNFPUBQUWKMN-UHFFFAOYSA-N 438.531 0.273 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)nc1 808797437 QMGMPFMQCOIGBY-UHFFFAOYSA-N 442.501 0.338 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(N)=O 812278768 JCSXSZKQQBXSAY-UHFFFAOYSA-N 437.472 0.575 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 918953408 HFRHLXZQFSAESE-CQSZACIVSA-N 439.490 0.678 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 919250907 ATCJWSTXRNAGNC-UHFFFAOYSA-N 441.492 0.727 30 20 ICED N#C[C@@H](C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)N1CCCC1 919665453 YFWGZNIDFUIGEA-HOCLYGCPSA-N 431.470 0.955 30 20 ICED CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1305552091 WOEQIGDBASMCAA-YOEHRIQHSA-N 425.493 0.784 30 20 ICED C[S@@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316366924 RBWLJVZMZOGYAH-CAMPQQCRSA-N 434.547 0.909 30 20 ICED CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503556326 UYCZEVMAZABHCN-JXFKEZNVSA-N 431.518 0.839 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541219085 POJBAWOEFZCMQS-CVEARBPZSA-N 444.540 0.930 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1612470968 XTAYMLBIJHZZPL-UHFFFAOYSA-N 447.569 0.287 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCO1 1706050350 RKUUEAUULGKTHR-RXVVDRJESA-N 426.477 0.309 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1778830885 MQHWISXCSFQFLW-CHFIUFFRSA-N 438.484 0.845 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1779072548 KNPQWYKFHKRUBX-CFLQYTFWSA-N 441.481 0.112 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779102145 WURMSEMYIKQDGY-UAOQYHQXSA-N 435.481 0.401 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1780167161 FJTSPTSTBXUJHJ-KSFYIVLOSA-N 426.473 0.537 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056852 JCUHLAIKOVBERP-SIKLNZKXSA-N 428.489 0.461 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192515 KTCUWWCPONPVQP-QFIPXVFZSA-N 447.455 0.990 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1782851974 JUIYLOPYCFMFDK-OPAMFIHVSA-N 443.504 0.756 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2)C(F)(F)F 1783207533 MEHQCCCKOMBNCT-SFHVURJKSA-N 441.410 0.579 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)C1 1783888408 JDIDFKLYDGVWII-QRQCRPRQSA-N 447.557 0.915 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CCO2)C1 1783901126 URAFBAXUKSHXMF-LHSJRXKWSA-N 429.498 0.878 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCn5ccnn5)C4)C3)c2c1 1784532500 IOXCKMODLPNARE-OAQYLSRUSA-N 434.460 0.560 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788629740 WUMAMABYRBIWGM-OWSLCNJRSA-N 445.520 0.766 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678308 YBUWNIADWYTWOT-PNTBXSDYSA-N 439.516 0.643 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4C[C@@H](O)C4)C[C@@H]32)c(C#N)c1 1789842129 YWFQDKCDWYUJEB-VDBJYJQWSA-N 427.501 0.860 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1791442487 ZZLORAZZSHGUMM-WJMWBRGCSA-N 443.548 0.630 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)CCC1 1792139057 MKCMKXDBFWQIRS-BZSNNMDCSA-N 425.489 0.485 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1792923142 XKQJFMXUZOMLSD-IYWMVGAKSA-N 436.505 0.839 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793367339 OWBWKGGUTKNXLC-VPTLXERWSA-N 447.513 0.433 30 20 ICED 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](O)C1 1795080112 WOHSDOHIAXGTJA-ORDFZIBCSA-N 436.509 0.108 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1)C(F)(F)F 1799193300 YEFGKVXOKHJBRM-MUJYYYPQSA-N 430.471 0.475 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c1 1799799043 LPEXIAOCQAHHCE-IZZQQSIFSA-N 433.468 0.878 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800990804 ZMVPEIXZTNJFMD-DKWZOFSHSA-N 437.537 0.781 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC)c1ccc(O)cc1 1801205439 MBPSEZXXJTWTOU-QSNWEANLSA-N 443.500 0.835 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1803571251 ODPKGLKBCGOZHP-HGHGUNKESA-N 425.489 0.935 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807197657 TUNSLIZUUOWGRS-VYCZESIESA-N 432.525 0.481 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808835909 CEDJOPORAKVBJR-IDHHARJASA-N 444.492 0.440 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1811543603 AFRNZQWDDGYXND-IIBYNOLFSA-N 432.440 0.526 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1814063084 YYCCDMSEQDEMKF-UWJYYQICSA-N 435.488 0.521 30 20 ICED Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1814200994 BDXWOIRKGREITN-XXBNENTESA-N 448.479 0.914 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814206162 VYUJCZISBDSNHF-ULQDDVLXSA-N 446.504 0.315 30 20 ICED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)C(=O)O 1814976296 GGTCTQNQQVLNQI-WCQYABFASA-N 436.538 0.400 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=O)c2cccs2)n[nH]1 1815922516 MCLXYQJCOIJRKJ-ZDUSSCGKSA-N 429.458 0.981 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(O)O)CC3)c(C(F)(F)F)n1 1815974988 SFZRDRZJULYCJU-ZETCQYMHSA-N 441.391 0.965 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824491021 LGVBCYPAJGSKIO-SCTDSRPQSA-N 441.594 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1829764631 QTXQJCYYQBRWHA-RMUOZIPVSA-N 449.483 0.040 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831019792 FKONSRDRANZTFL-OAQYLSRUSA-N 446.435 0.220 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1831394185 YSEKORJAYPKMMI-LYHRCORUSA-N 427.501 0.690 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1831399269 UFJAYGREBMTMGO-HXOBKFHXSA-N 440.500 0.682 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831487804 SAMZGHWHUGETHJ-XLIONFOSSA-N 433.534 0.982 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)CC1 1831495624 GBPTZWLZZXTLLR-BEFAXECRSA-N 428.551 0.741 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831986763 QXHDYJVFDMDNSO-HRAATJIYSA-N 426.510 0.766 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836374796 HMKOHOXFBUBSTI-LJQANCHMSA-N 438.406 0.979 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380663 AOFYDYYCBZBESA-NRFANRHFSA-N 449.529 0.110 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1836861745 GYXMGFCASIBOGT-APWZRJJASA-N 440.562 0.601 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc5c4NC(=O)C5=O)CCO3)C2)CC1 1837136803 QKBZOFFRYUQIGS-QFIPXVFZSA-N 438.440 0.195 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152898 HOPVBMPUDUUNJL-QHCPKHFHSA-N 425.485 0.804 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c1 1837168957 CZCLBMPQRIXAFQ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1837310839 USVHKHUZOPUEQU-LGVFNWMJSA-N 448.608 0.847 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837391363 MKRIRRXYIJCXHU-XXBNENTESA-N 448.516 0.801 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837403910 VZYLJXAQNQOYGH-JPYJTQIMSA-N 442.516 0.977 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441224 XOSZOBVLQZDHNA-UKKLRFBMSA-N 432.525 0.120 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837528372 ICKVSJFQRODEAE-CMEFWWCBSA-N 447.492 0.384 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837559805 IJDAEVKMNITVFH-HPARJBSBSA-N 443.504 0.440 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1837701898 YUIIGWPOAKYNEA-IVZQSRNASA-N 444.463 0.458 30 20 ICED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837860944 SYPBGQHTQRIVMM-PCLIKHOPSA-N 447.584 0.297 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732713 AHJXIEAPYFFJQD-NRFANRHFSA-N 432.477 0.688 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1 1838829829 UBPBKVYFFJWFMG-PXNSSMCTSA-N 438.550 0.900 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905685 SRVNFVPSODMHNA-QFIPXVFZSA-N 428.489 0.497 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1838907004 RWFQUQFFBRBNER-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1839066845 WFJWSOHHVACTTM-AAADOUPPSA-N 432.521 0.497 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839174147 IVKKEFKBWRKRBM-OAQYLSRUSA-N 434.493 0.308 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839466308 QAHQQAXYWQVYRM-HXUWFJFHSA-N 432.433 0.983 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839648116 SVOZLFITCSNGKC-ILAWTMEDSA-N 440.500 0.863 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839841618 ULVGZINQURRRCH-LDNFRZNASA-N 438.550 0.457 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2)c1ccc(O)cc1 1840028600 DFILIJLYFYMYDH-GWJPWWOOSA-N 430.501 0.726 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc(Cl)n3)C2)C1 1840042317 NJNSXKKEPASHLG-GOSISDBHSA-N 442.255 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840100948 OGUXMDUCBSACHO-JPYJTQIMSA-N 440.500 0.531 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1841023913 GGSUPMIIJCWKIJ-FGTMMUONSA-N 449.548 0.846 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)c(=O)nc1O 1846967925 KMDMCHYSENNKNL-AATRIKPKSA-N 442.497 0.961 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090652 YZQCEYFFHTXOMP-GJZGRUSLSA-N 438.525 0.550 30 20 ICED COc1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)n2)cc1 409545926 SCFXVOXQFBPZPF-QGZVFWFLSA-N 448.505 0.332 30 20 ICED C[C@@H](C(=O)N[C@H](CCNC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 409921447 GKWIDPJYPVZVSM-HLLBOEOZSA-N 446.475 0.799 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 430372419 RYPGVKBIYBIJOT-FXAWDEMLSA-N 446.523 0.797 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 437235643 KDIHXZAPYINFRQ-UHFFFAOYSA-N 439.472 0.837 30 20 ICED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 437383034 GBTRJUUVNVPWFV-QGZVFWFLSA-N 449.515 0.924 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)nn3)CC2)c1 440978209 FUYCCLQENZXTNE-UHFFFAOYSA-N 445.501 0.690 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 441624234 VXTRCKGSJCBYOT-UHFFFAOYSA-N 443.475 0.480 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 444502295 NWHPWOOVKSGYQC-UHFFFAOYSA-N 428.880 1.302 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)CC1 445769459 ZNYUKLBVALCTBT-SJORKVTESA-N 433.534 0.025 30 20 ICED CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460749951 UITCZALXCFAFSS-HUUCEWRRSA-N 447.569 0.921 30 20 ICED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2NC1=O 465402999 JJKNGMURLWKKGO-STQMWFEESA-N 435.444 0.743 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(CC)o2)c1=O 471197778 CQBVRZLGHIQQLO-UHFFFAOYSA-N 426.542 0.918 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 484360971 HRXHDOSTCMNLCS-INIZCTEOSA-N 439.584 0.950 30 20 ICED COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1S(N)(=O)=O 485993592 YHLHKYAZVINLFY-CYBMUJFWSA-N 434.499 0.807 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 504150167 HMMPKMTXCXGHKH-UHFFFAOYSA-N 444.517 0.970 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505657169 CSXLEHDXPLXXAV-UHFFFAOYSA-N 443.529 0.030 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)c1=O 505689278 GJAWDHCNUMAZCF-KRWDZBQOSA-N 449.536 0.739 30 20 ICED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 506417152 XWMPRPJVQICFQW-INIZCTEOSA-N 432.502 0.854 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OCC)c(OC)c2)c(=O)n1C 507089575 WFILVLUWLMJPKU-UHFFFAOYSA-N 429.498 0.668 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 511703921 VYAKFKFWOFJRRF-GOSISDBHSA-N 448.545 0.980 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 512110506 SLNCLEJHBQFMML-OLZOCXBDSA-N 431.449 0.857 30 20 ICED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533351889 XHOYFNCQDUAEHP-CQSZACIVSA-N 437.522 0.416 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n(CCC#N)n1 533456272 AWLQVUGTBGNMAM-UHFFFAOYSA-N 445.461 0.998 30 20 ICED CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541143952 OULZQZZRTJMLOI-UHFFFAOYSA-N 429.408 0.738 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 551539460 FIZSVOFBCDJHTJ-UHFFFAOYSA-N 446.464 0.288 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)cn1 565262607 LCJRHKZXMHJNRZ-QGZVFWFLSA-N 439.495 0.865 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 568131405 ZFKYCPHXQAVAJI-GOSISDBHSA-N 449.467 0.747 30 20 ICED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)Cc1ccc(O)cc1 573767577 RNHWTLDLVZXPFS-OAHLLOKOSA-N 448.439 0.931 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 579273991 JFHCFSDFVNFLSH-UHFFFAOYSA-N 443.426 0.042 30 20 ICED CCC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 581332487 MQHOPNDTTZLEMV-SFHVURJKSA-N 425.489 0.246 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 582701048 SLRBYWUPLUOHRD-LLVKDONJSA-N 429.501 0.821 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(C)c3)c(=O)n2C)CC1 589774698 PXPVACWMGHSYSC-UHFFFAOYSA-N 426.542 0.431 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 592519456 RCWFKUCQFDGLFP-GOSISDBHSA-N 436.534 0.834 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1C[C@@H]1CCCO1 609822497 DNEHGCONUYGIDB-LBPRGKRZSA-N 433.917 1.000 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC(=O)OC)CC2)o1 609992166 UVPAUYNAUWSDRD-UHFFFAOYSA-N 441.462 0.382 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc2c1OCO2 726576226 ZLUHRHOBWJZPDP-UHFFFAOYSA-N 446.444 0.762 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(N)(=O)=O)CC1 728153562 FNLRVARMMRTGCB-OAHLLOKOSA-N 442.563 0.563 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 732971800 UJRBGCVYWCECET-UHFFFAOYSA-N 449.501 0.592 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 733149192 AJOPJWAZKSCCAJ-UHFFFAOYSA-N 448.589 0.564 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 733149736 PSENMDBRXNLZTR-UHFFFAOYSA-N 438.525 0.410 30 20 ICED C#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 733161528 WXMWKTFJSFWUBJ-SFHVURJKSA-N 446.573 0.847 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 747370439 HMXOCMXDHFIYOM-UHFFFAOYSA-N 426.517 0.929 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749869182 KQWKNXFYEBZVJN-HNNXBMFYSA-N 441.557 0.725 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)OC)C2)cc1 752117681 ALTUGAYQVJGYSA-SFHVURJKSA-N 427.454 0.545 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCO[C@H](c5cccc(C#N)c5)C4)CC3)ncnc21 761761039 AXBBLCAKHUOUJK-FQEVSTJZSA-N 446.515 0.957 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCOC3)c2=O)c1 763457776 GSKXLQBFJYMQAO-MRXNPFEDSA-N 426.542 0.847 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc[nH]n1 772655075 DRUAIKXLAQSOPJ-UHFFFAOYSA-N 443.526 0.402 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 778543456 OGJFISJAABVCLH-HNNXBMFYSA-N 425.894 0.700 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)cc1 778859691 VIQAUALUTKKWBJ-KQWNVCNZSA-N 447.473 0.446 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1F 788850328 QINJKVVEWFGDSI-OAHLLOKOSA-N 445.538 0.930 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccnc2N2CCOCC2)n1 789786860 BGXYNTZWOQUTEM-UHFFFAOYSA-N 426.477 0.362 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 793202127 VZXWRAOPWQSBED-UHFFFAOYSA-N 428.488 0.761 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O 793986654 OFDNDYHPCJEWHW-KRWDZBQOSA-N 428.515 0.401 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 794583181 XNNZJZUOZPICIM-HNNXBMFYSA-N 443.481 0.963 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)NC(N)=O)cc2C)cc1 798069132 KGKAJNPCURSROI-UHFFFAOYSA-N 444.469 0.733 30 20 ICED CCOC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 808236603 HNMISVLQIOYQDG-QGZVFWFLSA-N 427.461 0.076 30 20 ICED C#CCNC(=O)CCN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 815048503 NLMHRVCTFCMXJM-UHFFFAOYSA-N 442.379 0.980 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1Cl 914652762 HBPDBRXXYQSNGD-OCCSQVGLSA-N 439.877 0.729 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 917507237 RUVPPOFTHFQTEQ-NPQIQWPPSA-N 426.429 0.811 30 20 ICED CS(=O)(=O)Nc1cccc2c1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 918395412 QFQLQYCXJVXRNG-UHFFFAOYSA-N 448.526 0.682 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nc3ccccn3c2=O)cc1 918610113 HDUGXIRHQWMEPA-XLNRJJMWSA-N 428.474 0.948 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 919131237 AGMNZHAGZLBISE-HNNXBMFYSA-N 433.490 0.885 30 20 ICED COC(=O)COc1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 919593586 FHYXNGNTZYMRPU-UHFFFAOYSA-N 442.428 0.912 30 20 ICED NC(=O)COC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1116153351 DYNLWPNCELYNAW-UHFFFAOYSA-N 436.534 0.778 30 20 ICED CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298571014 LADZKXCHGPWOKI-JXFKEZNVSA-N 431.518 0.839 30 20 ICED CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1298705033 BDFQRCOCFBWROU-HUUCEWRRSA-N 440.474 0.900 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314120502 KKDLFFWZEFLEMF-LEWJYISDSA-N 432.525 0.919 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1314934964 QEBMSXFBGYAHJJ-ZDUSSCGKSA-N 425.559 0.791 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H](C)O)cc3)CC2)c1C#N 1337160254 PGBXGGMLRIHALC-AWEZNQCLSA-N 446.533 0.222 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N(C)C 1497055516 FAMWNBWKSJCUOQ-QGZVFWFLSA-N 430.557 0.851 30 20 ICED CO[C@@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CCOC1 1504047318 IZPDQPUIGADSSO-KBXCAEBGSA-N 426.543 0.824 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1706656888 UVXKXXXWXLJAQN-UHFFFAOYSA-N 437.570 0.972 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1731191122 ZCLDXXRPHZMTGU-HZPDHXFCSA-N 432.506 0.401 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1741132389 KDKCFQNYJAUQOI-HUUCEWRRSA-N 441.558 0.075 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1743255667 VFJVQIRUWCAOMV-INIZCTEOSA-N 437.504 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccn(CCOC)n2)C1 1778241273 UMOURAFSKVXFSD-LRXVAGHRSA-N 432.521 0.695 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)c1 1780174434 UNGHTVFHAQDWRH-QFIPXVFZSA-N 447.455 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1780741033 IVTTVCZJEUKBKX-DRSNIGMVSA-N 435.521 0.536 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1780802721 HRWKPYHFLWGNQA-QLVMHMETSA-N 435.525 0.909 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c(C#N)c1 1781171156 KEJMDAXTFFWVNS-QFIPXVFZSA-N 443.504 0.210 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1781269310 KIFYIUMCCXQOLL-QFIPXVFZSA-N 441.488 0.991 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)c1ccc(O)cc1 1781321551 VHHSCUWJTUGMGF-CVDCTZTESA-N 430.501 0.728 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783111000 WIFOTTXUFNYQGX-UZLBHIALSA-N 427.567 0.700 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)cc1 1783441363 MKFAMLDMWDWSJN-HAGHYFMRSA-N 441.532 0.063 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783912426 OFGYTLCIDAHADV-MUGJNUQGSA-N 441.532 0.917 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784458458 HYAMTMDFMHUQJE-MLVQKYMTSA-N 433.465 0.214 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784535439 VPCBMKQSCGUKHO-UVPYHEFZSA-N 435.612 0.248 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CCCC4)[C@H]2C1 1787313349 BHIJBYJBEKINPD-LYGXWFJISA-N 441.532 0.740 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789173412 FVPNFFRYBKVHLZ-XIRDDKMYSA-N 445.545 0.844 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc1C 1790201630 CKBVVWCDNFABJM-LNLFQRSKSA-N 427.457 0.635 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795279588 HMHADNYEZLKEJG-CWPLJXCYSA-N 443.550 0.488 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)c1 1795411760 PFWVIYOKGLMRNM-FVCICTRLSA-N 435.477 0.736 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2 1795598910 FOGIKDXITHYQBH-CCWDJLKJSA-N 449.939 0.985 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1[nH]nc2ncccc12 1796217769 VMKBUFRUTSALRA-TYISDOQISA-N 442.476 0.690 30 20 ICED 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)C1CC1 1796359158 NODZNGBERLNJHR-UJCHZGTJSA-N 449.548 0.918 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796422011 FHBAQZGVLXDXCQ-WDTWZTHCSA-N 438.550 0.361 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cn2ncccc2n1 1797040850 XRHLIQGYVTXRMJ-ZUSSLCPFSA-N 442.476 0.462 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1797780991 LXJUKHYVCIZKCF-RMFSNUHRSA-N 435.590 0.323 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798467617 YCLOLNDNDNGLBU-FJIDUMEYSA-N 439.578 0.651 30 20 ICED CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)nn1 1798708558 DDOHYSPUZWNZCZ-IITUFWFWSA-N 428.493 0.948 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798862566 ADSXHIJOWRVMJL-RMYQPGKMSA-N 447.495 0.975 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)ON=C(C)C 1800228740 OTOXIOICUYWBOA-WYTQMRBSSA-N 432.525 0.896 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810326332 BICWAUCJHMTSBO-NQIIRXRSSA-N 437.504 0.473 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812391580 CKUNJJNZQJCGFA-HOCLYGCPSA-N 438.431 0.842 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812671786 MACKPYJHOQBUML-HKUYNNGSSA-N 440.491 0.585 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccnc1 1812881662 YXGGKZGJFHYOCI-AOMKIAJQSA-N 448.435 0.820 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425421 DXRMDDGDKMQEOQ-DOTOQJQBSA-N 444.536 0.693 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)no1 1822201774 TUNQOVFCTIDNQH-AWEZNQCLSA-N 428.405 0.216 30 20 ICED Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)c(=O)nc1O 1823367266 LHVSEHBXZYBITL-CQSZACIVSA-N 425.449 0.977 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831174733 GTRMYCSWQQUINP-DYESRHJHSA-N 425.526 0.340 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223166 OUHVOSMOBJHWBZ-HOYKHHGWSA-N 439.512 0.675 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831397292 WRPLQFSMZTWNCY-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831877088 SHGALDYYVQVSEI-NRFANRHFSA-N 434.493 0.308 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1832575965 QLHCQJGXTBXOIK-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833783032 IYYHBHVMEWRZLQ-XQQSMPNESA-N 449.895 0.058 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1834115028 ICWPVOBYWYZNJE-HSZRJFAPSA-N 437.500 0.913 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834847899 AKCBAJOMSDHZID-HSZRJFAPSA-N 443.500 0.900 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cncn2)CCO3)c1 1836132206 OEXYOJABCMNZBS-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837303412 VGXISYPODOFVFF-WZONZLPQSA-N 445.516 0.526 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837398502 CKBPFBFDIZJPDD-FDDCHVKYSA-N 442.516 0.977 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837561620 YDXCGCCFKSEDHD-IQTGRTGDSA-N 429.477 0.511 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837646028 LHHVTGBLJWBMTG-HTAPYJJXSA-N 438.488 0.556 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839050603 KOJCGFSWKNRDDB-JOCHJYFZSA-N 427.505 0.668 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084973 RYLQAGQHTDFQCI-MFCZKXCZSA-N 425.551 0.162 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839174164 JPJHMUVYLJFRIF-NRFANRHFSA-N 434.445 0.219 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1839223789 ACNKNUISIHJUNG-RFWXGWTQSA-N 446.548 0.986 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839225229 CJTLHFNYFUQFNB-KTORJYKWSA-N 436.509 0.079 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1839890853 XQKBVIJJVAEQEJ-QZTJIDSGSA-N 434.436 0.270 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)Cc2ccccc2)CCO3)c1 1839959644 QPQWBSNBTICNAB-OFNKIYASSA-N 438.484 0.560 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840162421 WTNPSFUSAZIIAT-KKSFZXQISA-N 438.546 0.836 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840168778 RSHFAVOXCKROGY-OAQYLSRUSA-N 444.513 0.630 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840842810 BYCRAITYUQWEPD-QFIPXVFZSA-N 426.473 0.762 30 20 ICED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436221123 QVUWYJPNNCOMFB-ZDUSSCGKSA-N 443.529 0.729 30 20 ICED CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 441567312 PHGBTJCOIYDBPK-OALUTQOASA-N 429.569 1.531 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 441658770 QJOXHDODKJHOOD-UHFFFAOYSA-N 427.486 0.801 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 465058692 HVPUOMAXJVKMMF-GJZGRUSLSA-N 428.536 0.245 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)CC1 472633244 SMZPYXOLLZZIQI-UHFFFAOYSA-N 441.488 0.115 30 20 ICED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1 472848715 LHZJEKJCHFZQEP-UHFFFAOYSA-N 437.504 0.946 30 20 ICED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 476052947 QVNZIACADOTVIC-UHFFFAOYSA-N 425.555 0.947 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OCC)n2)c1=O 477452659 NGOKAJDBTJECFT-UHFFFAOYSA-N 430.530 0.769 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 478251906 NJFWRQVTUOOJEU-ZDUSSCGKSA-N 437.499 0.630 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1 480474118 YRRPLIDWXHEAHB-CQSZACIVSA-N 436.515 0.320 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 484217283 DUACWUXMTSDRSP-QGZVFWFLSA-N 434.518 0.701 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nc1 484779370 DRGKMSFDRQSULX-BUXKBTBVSA-N 426.458 0.867 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n1 486512100 JUJVLJRJOIWSDN-ZWKOTPCHSA-N 435.488 0.887 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 489028166 PXHQQWCEKUAZRM-AWEZNQCLSA-N 427.482 0.910 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 490280933 BYXRXBWAYCMRGM-UHFFFAOYSA-N 437.522 0.815 30 20 ICED Cn1c(N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c(=O)n(C)c1=O 500862540 FMHMKMFCIYMXTH-HNNXBMFYSA-N 429.502 0.317 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1 507329258 WMVLXRVADAZGRE-ZWKOTPCHSA-N 437.518 0.838 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 514138575 QIBUWOWDZGTGEV-CYBMUJFWSA-N 428.536 0.013 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 520444704 NQFGNRIAGIKRRP-UHFFFAOYSA-N 446.467 0.890 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H](C)c1cccs1 522625130 MODUSGYOKVXUEV-ZDUSSCGKSA-N 443.554 0.580 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN(C)S(=O)(=O)c1cccs1 541895350 MIKWNRUYUSUZIU-UHFFFAOYSA-N 425.540 0.820 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 546003532 RQLLDEZRINFHFN-UHFFFAOYSA-N 446.489 0.080 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 547301846 MSWIXCKKBLLDQE-LJQANCHMSA-N 436.520 0.704 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 554891418 WZHMTGYMFIZEGS-UHFFFAOYSA-N 436.515 0.876 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2)C1=O 556325905 AZAPPSUBGBNBIL-QGZVFWFLSA-N 448.439 0.970 30 20 ICED CN1C[C@@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1=O 562093829 WTYXGFMZMWHGIK-ZDUSSCGKSA-N 426.433 0.192 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)n1 564111465 YCPUUYGXBNCPIX-OALUTQOASA-N 426.521 0.096 30 20 ICED CCc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)ncn1 580915359 OZAAYOIVQHDELL-UHFFFAOYSA-N 448.531 0.739 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(F)c(F)c(F)c3)c2=O)cn1 609074565 VWAKWLBLBRINPT-UHFFFAOYSA-N 433.415 0.782 30 20 ICED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 609822459 AUJNKYOBNKOYIK-UHFFFAOYSA-N 446.916 0.183 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 610391992 SRNVWCGTBNKLEF-UHFFFAOYSA-N 439.494 0.290 30 20 ICED COC(=O)[C@@H]1CCCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 611575538 QUSOLONBGCPBDT-SFHVURJKSA-N 448.545 0.809 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)C[C@@H](C)O1 615628584 BMCCJIUWPGURED-KSMMKXTCSA-N 438.481 0.887 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 619806113 GBJYAQFJYAOTSO-UHFFFAOYSA-N 448.545 0.980 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCCN(C)S(C)(=O)=O)C1=O 726112593 GFCWLJLILPKBHJ-OBAOGOGRSA-N 441.579 0.342 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 726669500 FHYWEFWDNHJMOQ-UHFFFAOYSA-N 429.454 0.726 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 729888204 GCWJRVVODUEUEW-SFHVURJKSA-N 437.518 0.957 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)s1 731203533 MCABJQWYIMPYMN-UHFFFAOYSA-N 433.555 0.542 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)NCC2CCC2)ccc1F 731649455 MJKBQNMQVHUNJC-UHFFFAOYSA-N 433.527 0.739 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)c1 743932732 AXZHCSQYFWZUCP-VKQKCINQSA-N 448.505 0.021 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)CC1 747854794 QQUDZYOYEOAMKA-UHFFFAOYSA-N 436.534 0.282 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cnn(CC)c3)c2=O)s1 752189519 BIZANNUDDPRQLJ-UHFFFAOYSA-N 440.554 0.916 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 753900181 CJLXKRDPSLJVSV-OAHLLOKOSA-N 437.518 0.961 30 20 ICED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC2CN(S(C)(=O)=O)C2)c1 777468518 SVEGFGAXNAJTIW-INIZCTEOSA-N 434.543 0.627 30 20 ICED COc1cccc(C[C@@H](O)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 785709909 CSIYIYNVHVJNLO-GOSISDBHSA-N 428.445 0.659 30 20 ICED C#CCN=c1nc(N2CCC[C@H](C3OCCO3)C2)[nH]c(N2CCC[C@H](C3OCCO3)C2)n1 804407449 UOEHEONYPNMUGM-IRXDYDNUSA-N 444.536 0.517 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 806421701 XJKWYVKRZFHXCY-FQEVSTJZSA-N 437.500 0.803 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)C1 811041739 HCCAMCHTXORSCI-JSGCOSHPSA-N 426.470 0.979 30 20 ICED C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 816674879 MUZOHPKVZUCCLJ-GOSISDBHSA-N 435.546 0.417 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215397 OBUUJQNIUZNMEH-CVEARBPZSA-N 441.513 0.849 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1286857497 SGSJTAIGOHXENG-IAGOWNOFSA-N 438.492 0.913 30 20 ICED CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1336738113 SGLAVCCZWHRUDJ-DQRAZIAOSA-N 441.488 0.837 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 1465904474 KAPMPVXHZXTIJH-UHFFFAOYSA-N 433.487 0.850 30 20 ICED CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555804938 KSTDLUDVTNQGGM-INIZCTEOSA-N 435.554 0.012 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)CCO1 1620355708 XOKXTLZISLRAPN-CQSZACIVSA-N 449.313 0.902 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690351141 JGWZSRKLVQCWID-UHFFFAOYSA-N 444.927 0.974 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1696090733 NNXAQVCXWHGZSV-PGRDOPGGSA-N 447.584 0.685 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCO1 1706050351 RKUUEAUULGKTHR-WIYYLYMNSA-N 426.477 0.309 30 20 ICED COCCN1C[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712472344 WOXPDPQNVMHSBX-ZWKOTPCHSA-N 442.524 0.363 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749252725 VIHQUFDHLGKUSC-ZYHUDNBSSA-N 431.906 0.910 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1768464252 KJQNQYTXWRHZKH-UHFFFAOYSA-N 433.520 0.993 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1779017210 DZDRDTMWAUNCIE-YQNSVDCASA-N 442.520 0.955 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1779189068 PMJRFQOQPIDVLX-NLFFAJNJSA-N 449.507 0.939 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168668 JIYFBQOEEYTPNK-FQEVSTJZSA-N 435.502 0.445 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780794073 YUXYGCLHXCGENI-GSHUGGBRSA-N 435.521 0.631 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1781308421 NIUQGXQQGDMATI-DHIUTWEWSA-N 447.532 0.914 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782717605 PRTOAPIIRYRMLZ-OXQOHEQNSA-N 444.550 0.444 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C[C@@H]21 1784486799 PXHDXZBUZDMJJG-XYYCENQHSA-N 441.528 0.823 30 20 ICED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)n[nH]1 1785840645 CTIHZCHTUJSQQY-OXJAMOPTSA-N 427.461 0.918 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)N1CCN(C)CC1 1786563133 MZBPYNQVERALTE-UDIDDNNKSA-N 438.572 0.654 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477706 YWTDUXSGMKLZQY-DVBNOFGCSA-N 430.421 0.623 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n[nH]1 1788658956 QYVACIYFFRVCJK-LZLHDVMYSA-N 433.509 0.769 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)c(C#N)c1 1789843434 KWEHQIXPWMEOLO-VDGAXYAQSA-N 431.489 0.098 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790571825 IPHYQMQWNKCXKM-HYVAJXQVSA-N 435.550 0.162 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 1792489065 CNCPHCXDPACTCP-BEXDMUFCSA-N 429.502 0.457 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1793343190 OAJLLOCBVBUXKJ-FQUUOJAGSA-N 428.411 0.680 30 20 ICED C#CCO[C@H](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 1793569607 CNYOEXIVDPWTMB-RPVYPSMYSA-N 449.548 0.891 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728367 INQSLDAOTSQMSQ-DABQJJPHSA-N 440.390 0.914 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C[C@H]3NC(=O)NC3=O)c2c1 1794211754 HVQDRRTVCDCCIK-OQMKEHIESA-N 435.444 0.284 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795579725 JCMZVYQMRPJKLO-XEMDLRDOSA-N 433.629 0.467 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnc(N)s3)c2c1 1795687972 UCAOSGWSKQLKRT-DRXBFXEBSA-N 437.485 0.990 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1797811730 GJIDMPBMTKOEKU-ZUSSLCPFSA-N 442.476 0.462 30 20 ICED CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(C)C 1797812718 ZXZZGQRQAQCQFD-FWSHMVJNSA-N 439.509 0.693 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)[nH]2)c(C#N)c1 1798183092 ZNNWAQKZLSJONS-CCWDJLKJSA-N 425.445 0.441 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c1Cl 1798592012 ANZQKJHMRLPEIA-NFWAQSGPSA-N 430.892 0.941 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC(F)(F)C(=O)O)C3)ccc1F 1799325121 BSZJDDZQPZCXPO-ZSBFGKGUSA-N 439.390 0.939 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1800988804 TZQJZJUTBSVVOC-AYDFFVQHSA-N 431.555 0.436 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1801009272 XZVQAWLNGHQWDW-FHTPNYMGSA-N 445.472 0.142 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)ccc1F 1801069539 LMBHAAHIYFRLJX-RACNMONISA-N 428.464 0.356 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801355366 GALAQQAJKQNSOC-UZQYCHAOSA-N 444.492 0.866 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]1c1cccnc1 1804048231 NNSXMLHEMCJMAP-BXUZGUMPSA-N 445.325 0.531 30 20 ICED N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807055871 UCPOXZDPTKXHMU-ACWOWKBASA-N 431.497 0.099 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814762556 OQYLJRGGBITJCA-MNOVXSKESA-N 432.439 0.371 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1819957187 PQDHZUXSMWZJMC-VPNURPJOSA-N 449.533 0.054 30 20 ICED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522563 DWNQROOSNVJEBI-OAQYLSRUSA-N 430.461 0.053 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898435 FFCWITKMVDJIPW-AOMKIAJQSA-N 428.489 0.069 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1831434496 YHHDSLHYDMIBDF-PDQWDRGOSA-N 436.505 0.377 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831483094 KIZZQYGRJYQSLO-VKJFTORMSA-N 436.596 0.078 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833040701 VAMUUPISYSCAOT-GHTZIAJQSA-N 435.525 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccnn3)CC2)CC1 1833074903 GALRGUIFFSWSDO-WAYWQWQTSA-N 426.521 0.520 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833555150 ZXUWABAQRXUNSC-IBGZPJMESA-N 439.900 0.680 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1833852156 XDABHOODQCGNEC-ZISMNVMJSA-N 434.493 0.624 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833961294 RVYLSJPAGHNXCN-MRXNPFEDSA-N 432.521 0.862 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](OC)c3ccccc3)CCO2)C1 1835277505 DZDVZESGMRRKHZ-RFWXGWTQSA-N 430.501 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1836859101 OJGBNWKGJCKSIL-OXJNMPFZSA-N 437.537 0.174 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837396681 KLGQDKRZEMKJSX-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447509 QAYZDPMDOPENKV-DXLWNWQMSA-N 446.552 0.447 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531289 HLPQQRHWCYXEAH-OBKNTDCBSA-N 445.476 0.485 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1837616121 VJHSWZJLFCXWHZ-CVDCTZTESA-N 442.516 0.308 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838195520 MPVCNTFAMLOPQD-FDDCHVKYSA-N 446.548 0.791 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838376083 WHCUJBRTMZWHKO-QFIPXVFZSA-N 437.456 0.632 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838399491 BLJSZFBQUBNPOV-ACJLOTCBSA-N 444.550 0.798 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838737898 DXOSROCDCZMCGF-JOCHJYFZSA-N 438.488 0.731 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774199 NLVBZBVUIMBJNF-INIZCTEOSA-N 429.473 0.936 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186270 JIKUCDIRQZOKJL-QFIPXVFZSA-N 433.480 0.857 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1839364141 OOMHCBFUHDSZBU-AUSIDOKSSA-N 440.500 0.349 30 20 ICED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488087 WLAZHVDOJGOYGJ-OAQYLSRUSA-N 427.461 0.541 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OCC(F)(F)F)n3)C2)C1 1839807103 MMPPWRTVSQBMSP-SFHVURJKSA-N 427.379 0.726 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839811808 PSPPFZPGMLADQS-IBGZPJMESA-N 425.457 0.035 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839887522 HBPRIMRNYHHZBQ-LJQANCHMSA-N 428.480 0.936 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017913 LJNJNNKKIZDOLK-ZQMYSKGWSA-N 425.485 0.929 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840174083 GXLDCSUXYREUGL-JOCHJYFZSA-N 432.473 0.482 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1840845228 OXZJZDTYLNTAEU-QFIPXVFZSA-N 435.521 0.725 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896949 CNYMAUXXFOJCSX-LIRRHRJNSA-N 441.575 0.515 30 20 ICED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 410017802 UYDWXUCXUPXLRR-IJEWVQPXSA-N 432.448 0.409 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c1 410171416 LWKURWVPSITKSN-UHFFFAOYSA-N 438.550 0.014 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCO1 433638229 HXUJLTKVEDNUEP-MRXNPFEDSA-N 425.493 0.754 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 441646117 OZBZOJFJJYIAAW-HNNXBMFYSA-N 434.378 1.454 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)n1 443130041 OHQCLBWEUKKURR-UHFFFAOYSA-N 442.860 0.622 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 443665152 HMIXBKHZNLBLCD-UHFFFAOYSA-N 433.530 0.774 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(CCC#N)Cc2cccnc2)s1 461974385 VGLRUPMNHGTYIF-UHFFFAOYSA-N 435.531 1.000 30 20 ICED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCCC1)n1cnc(C#N)n1 467266862 AJLQHCPDEIOPDT-IJEWVQPXSA-N 438.496 0.616 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1 476974725 PYKSMNGTSMPCKG-UHFFFAOYSA-N 431.460 0.833 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 479837739 QRDXDQGTAVKQJW-OAHLLOKOSA-N 434.518 0.322 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 488307174 QYHGEWWYVOLPLD-UHFFFAOYSA-N 445.541 0.911 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C#N)CC3)c2)CC1 490443919 VXEPEVFBKXJILS-UHFFFAOYSA-N 433.534 0.713 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1 491199692 JLLSVITUDXGJCQ-UHFFFAOYSA-N 446.485 0.617 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)CC2)o1 494643921 WJMWTTZWGWUAJK-OAHLLOKOSA-N 440.468 0.658 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505281915 UAWRDISGCUKNPA-MRXNPFEDSA-N 437.460 0.093 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 508366576 FQKVGYDATZZLCT-DLBZAZTESA-N 437.518 0.028 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 515648907 YNJREMGSIRZVDK-UHFFFAOYSA-N 426.494 0.572 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 520508679 OKEZGHWHQMZJCR-IAGOWNOFSA-N 446.504 0.574 30 20 ICED COCCn1c(N)c(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 532467360 NPWQWVGOZCZPLB-UHFFFAOYSA-N 426.477 0.050 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 537489998 RQDGKJVBSBCDIO-UHFFFAOYSA-N 436.534 0.917 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)nn1CCC#N 549396974 XWVPOPHYPVKQBE-CQSZACIVSA-N 432.506 0.917 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 554455082 VMKBSLRSEVKLBZ-HNNXBMFYSA-N 446.451 0.654 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@H]2CCOC2)c1 555504234 FYLJSGZOAOUGFS-QGZVFWFLSA-N 448.491 0.189 30 20 ICED CC(=O)N[C@@](C)(C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(S(C)(=O)=O)cc1 555859162 RNCIHHALQUUPLS-HXUWFJFHSA-N 446.533 0.710 30 20 ICED CNC(=O)COc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 557650485 LKRXCSJBIMMBEE-UHFFFAOYSA-N 430.486 0.852 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 558995087 OYZBDTYTDWQMND-UHFFFAOYSA-N 440.552 0.987 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 559064078 WIKNJSVAPGLZAD-FUHWJXTLSA-N 438.488 1.070 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 562208361 QEMZCMIOQRJJOZ-AWEZNQCLSA-N 435.444 0.852 30 20 ICED CCN(C(=O)[C@H](C)N1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 564396683 FERRDVITUTVWPH-GJZGRUSLSA-N 425.580 0.869 30 20 ICED C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 573756810 KZCWDJHOYXDSCK-PBHICJAKSA-N 427.505 0.537 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1 609563956 HEVTUNKZGBOKQK-UHFFFAOYSA-N 442.566 0.090 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 728534220 YIAMNGWKYNMFLV-OAHLLOKOSA-N 447.333 0.696 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 729503529 VIQNIZOWWOOHKS-ZFWWWQNUSA-N 444.531 0.342 30 20 ICED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCc1ccc2c(c1)OCCO2 741343306 KUQSHRXZFNASNG-AEDOZVOFSA-N 443.456 0.965 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C1CC1 753357808 JCCVDOWNOMPERU-UHFFFAOYSA-N 430.486 0.015 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C#N)C1 754380251 PSUXWHGGIUDGCS-ROUUACIJSA-N 449.552 0.671 30 20 ICED COC(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769828389 SVRKUEHGKNFZKM-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1 778858431 SKBIAMVVVVVANY-CYBMUJFWSA-N 425.511 0.860 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NC3(C#N)CCC3)cc2)CC1 784191015 GAKXAVQGYGMXDM-UHFFFAOYSA-N 448.501 0.259 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 786368574 SGKYKXNKFRZMCI-QUEVPRLRSA-N 429.454 0.821 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c[nH]1 786906971 SHRZEUMFYFKUCW-UHFFFAOYSA-N 438.412 0.854 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)n1 788861161 WJVINRLFUCTCEI-UHFFFAOYSA-N 433.534 0.961 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NCC3(C#N)CC3)cn2)CC1 797544774 CYTAAYINJZZVGZ-UHFFFAOYSA-N 429.481 0.892 30 20 ICED Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1-c1nc[nH]n1 798281524 PGZKQXYRZHDPBL-OYKKKHCWSA-N 429.466 0.759 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 799285208 ZNNQZUIFYUQFND-AWEZNQCLSA-N 425.507 0.555 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OC)c2F)c1=O 799940434 WJHJJOGWXVHWSZ-UHFFFAOYSA-N 443.500 0.737 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814249852 BQVRCXHHEDIYFS-UHFFFAOYSA-N 449.483 0.509 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837285213 LUGBZQJYJDFGNK-UHFFFAOYSA-N 447.520 0.643 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NCC(F)(F)F 887570975 PBMMQURLVFIAAY-VIFPVBQESA-N 436.368 0.156 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1 917774440 MGZVQYXZLDLLRI-UHFFFAOYSA-N 426.523 0.930 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCCN2CCCCCC2=O)cc1 919048278 FSOKFKWGYRFHLP-UHFFFAOYSA-N 449.529 0.664 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 920686372 NMXPKBWLFXJPOZ-HNNXBMFYSA-N 432.502 0.750 30 20 ICED Cc1cccc(NC(=O)CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1C 1290234496 JONOLHLXCLRBGS-UHFFFAOYSA-N 438.488 0.610 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1299303831 XKVRIUMNGNIZPW-UHFFFAOYSA-N 426.506 0.835 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1303436856 OYHNLLJLIDAUFC-UHFFFAOYSA-N 425.493 0.636 30 20 ICED C#CCNC(=O)c1cccc(-c2noc([C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n2)c1 1325464423 WPKOWBKRDPEDEH-HOTGVXAUSA-N 428.470 0.603 30 20 ICED CC(=O)N[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1453847253 ZBTUMGHMZAJULG-OAHLLOKOSA-N 448.277 0.967 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1513924445 ZTVNWVMGVYBACE-KRWDZBQOSA-N 429.550 0.996 30 20 ICED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 1521143626 OCFVMQOPLHLLDM-MRXNPFEDSA-N 436.538 0.169 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1617907741 IRFVVVWCHWRTJZ-HXUWFJFHSA-N 439.501 0.793 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1728779146 KNASQWYDQDLXAN-GOSISDBHSA-N 426.543 0.609 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1740739160 PIJDEMPIQHIGQZ-NEPJUHHUSA-N 447.359 0.608 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1750076672 QNXGMMCIDXESHZ-HOTGVXAUSA-N 439.586 0.691 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1764188302 SSJHGWMVNDGJOK-SFHVURJKSA-N 446.556 0.089 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1778998975 OSORNJQIVSOMAK-OAQYLSRUSA-N 448.596 0.419 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 1780596432 NZFMXAKTKQSPMO-VMIIQTFKSA-N 440.544 0.728 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 1780601179 BAJZNKRSARSTAR-GXJJEBCYSA-N 442.516 0.417 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935408 OORSFUXWZMKROJ-HXUWFJFHSA-N 431.518 0.271 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199669 UKLLXDPTGSMRNL-UNJYKCMZSA-N 436.472 0.918 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1783054100 CYQCIWNDAIDTCS-AVRDEDQJSA-N 443.504 0.707 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(Cc3ccccn3)CC1)CCO2 1783558277 WLPOTLPDUSZKKR-HSZRJFAPSA-N 440.500 0.212 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccc(OC)cc3)[C@H]2C1 1783766046 OWCBSMOPFSJABU-MFZGXCKPSA-N 430.501 0.747 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1)C(F)(F)F 1784524619 RLKFYKJOXQMMBQ-SAXRGWBVSA-N 426.457 0.765 30 20 ICED Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)cnc2c1 1788040263 UHAYSTPSGFIXGT-SZMVWBNQSA-N 435.484 0.900 30 20 ICED CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n1 1788601434 JAMDUXMPRAMODI-GYUYVIAWSA-N 431.541 0.924 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c1 1792833882 MXIQWLWJZVGHIW-BBIADKPPSA-N 435.484 0.337 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793380344 OZOZHWLUPWSTGE-XFIYOXNOSA-N 445.582 0.416 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1797838034 QVMUYOCBGNBYGC-XEWVVZMQSA-N 427.417 0.090 30 20 ICED CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237274 FOHOUAXYDOULCC-MMXJWNFTSA-N 441.484 0.818 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)C2 1800455696 NDBWOEQKNQTDLO-SFNKJDCFSA-N 447.532 0.483 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2O1 1800947429 ZENBGSIIHZXIJP-AKSVKJPWSA-N 439.512 0.828 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)CC1 1802689476 YGDMIODQGPUXEC-PZJWPPBQSA-N 440.548 0.801 30 20 ICED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1806278612 DFIVEDOPKJHINJ-UGSOOPFHSA-N 428.474 0.466 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807951147 YEKUADODJSRANK-DNVCBOLYSA-N 434.460 0.331 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810361475 RTBJZFPQRQWNDK-OQLQSJIPSA-N 431.493 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812493678 GVNUBVSLAJTXAW-YSHGAJCASA-N 433.530 0.703 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1820897089 DBHFKZIDMQUHEO-CQSZACIVSA-N 449.464 0.454 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825198695 JKVYDPRDAMKCGH-GXQBDPJSSA-N 435.506 0.720 30 20 ICED C[C@H](CN)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805802 DWFOETUCONTNCB-VGSWGCGISA-N 427.505 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480585 SSXDGAZIWQOQSM-FBQMEGEOSA-N 448.432 0.116 30 20 ICED CN1CCN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2)CC1 1829696161 VPCGORPFZIXOLC-QHCPKHFHSA-N 441.532 0.422 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c(C#N)c1 1830871937 OJWUIAVDBOMQAG-GGAORHGYSA-N 445.516 0.583 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1831387431 PJXLZDSTUKDUAL-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1831392823 PANCNBIFCUDMED-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1831399481 VJGIHINYQNWWHT-WMLDXEAASA-N 429.311 0.409 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831435740 XWFDCDQTTGJESI-VGSWGCGISA-N 428.489 0.995 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831447042 RDNIMCLTAGQNDW-DNVCBOLYSA-N 445.538 0.150 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831483485 SSBVHKSKVICQNY-UYAOXDASSA-N 425.570 0.484 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1831997646 DTVWYWSAQLBJST-IERDGZPVSA-N 441.525 0.559 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1832456687 VJHGSAANPPXEIG-HXUWFJFHSA-N 436.534 0.655 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832819639 LLHMPTBZCFTNKM-WZONZLPQSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015549 NPMSOLAYMHDTOL-MGPUTAFESA-N 438.550 0.827 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833427686 OWYIVBRDMFQWDO-UHFFFAOYSA-N 426.517 0.287 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903256 SKODHWLKBRXZCJ-IERDGZPVSA-N 436.509 0.384 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cnn1C 1834424852 KWCHORAOSZDPHK-XGVOGHQPSA-N 449.508 0.328 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834860897 ZQLJPJMESOSULY-JOCHJYFZSA-N 445.472 0.347 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)NC3CCN(C4CCN(C(=O)CC#N)CC4)CC3)ccc21 1835365480 GHZJMRGNBJAVON-UHFFFAOYSA-N 438.532 0.976 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836982446 NHJHLRZKVJOXFS-VGSWGCGISA-N 426.473 0.443 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1837428881 KBXCEPBVLJQUNF-OAQYLSRUSA-N 447.612 0.786 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837442171 REGFHMICKWBSKN-XZEIMLRBSA-N 432.477 0.182 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837682227 RYQLFWGPBNUIOF-MDKPJZGXSA-N 437.562 0.820 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1837979350 MNJKZRLVFMLAFX-NRFANRHFSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc5ccccn45)C3)C2)c1 1838733079 NCDSJRUSSZDQIC-QHCPKHFHSA-N 448.483 0.847 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839173174 CVMOQIFMHQHEER-FXAWDEMLSA-N 428.551 0.907 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1839362320 LJVDEUWQCSRMHM-FQEVSTJZSA-N 431.518 0.449 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839888170 AQSNBAKZNFZVBZ-SFHVURJKSA-N 428.436 0.262 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1840044732 ULBMGWRAQFWODM-AUSIDOKSSA-N 426.469 0.336 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161153 GBYAYPAOAJSNOR-RDTXWAMCSA-N 428.580 0.726 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1840167908 VKGNTKIKNTWGOF-JOCHJYFZSA-N 429.473 0.742 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384113 RDXADPMSFUIPDK-NQIIRXRSSA-N 435.525 0.921 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818970 HTZBTVHMFSAXHN-QFIPXVFZSA-N 447.488 0.056 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)C1 1844796568 NEUUCUFCAFDPQP-WBVHZDCISA-N 443.504 0.931 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(n3cncn3)CC2)CC1 60296445 MKXKKOVJXBLOFP-UHFFFAOYSA-N 443.533 0.320 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 409537481 SNSQMEPCGPKUDK-CYBMUJFWSA-N 445.523 0.457 30 20 ICED COC(=O)c1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1Br 426107293 WWGSKYAGLQBOKW-UHFFFAOYSA-N 449.265 1.100 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS(=O)(=O)C1 433661196 UKHXMUJSCOCWNG-LBPRGKRZSA-N 435.893 1.229 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCSC 440376916 HHRAGLFZPWBOKX-UHFFFAOYSA-N 446.554 0.783 30 20 ICED CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441233097 MPCNFJRUWKNBMY-MOPGFXCFSA-N 437.504 1.384 30 20 ICED Cc1ccc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)cc1S(=O)(=O)NCC#N 460747327 QPNOMNQPZOPIDZ-UHFFFAOYSA-N 442.523 0.128 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461379409 ZMXDVHHRMGMFLI-UHFFFAOYSA-N 440.525 0.856 30 20 ICED N#Cc1ccc(OC2CN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)cc1 461997472 YNISHWONPXYBKF-UHFFFAOYSA-N 435.488 0.860 30 20 ICED N#Cc1ccc(CSc2nnc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)s2)cc1 467153128 UBRVNTZSTSDMQL-UHFFFAOYSA-N 441.502 1.481 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C#N 472296324 PPOITTRINFRVAU-OAHLLOKOSA-N 441.517 0.487 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(O)(CC#N)C3)CC2)c1 473379518 MRBIGFISHKIIAT-UHFFFAOYSA-N 448.545 0.404 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 480523671 GNKJGWFEABVQGV-ZBFHGGJFSA-N 442.563 0.545 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CC2)n1 484090940 CVFFSPMLZGTUGW-UHFFFAOYSA-N 448.439 0.130 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1 488646286 NYXYXAYFGLHELV-QGZVFWFLSA-N 441.469 0.061 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 488987267 TUKNKZIDRXHRKD-ZDUSSCGKSA-N 429.454 0.955 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)cn1 497726287 RYDLNDNKXVBJQM-QGZVFWFLSA-N 439.495 0.865 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(CC(C)C)c1=O 505695706 WKICJJGZVNEFLU-OAHLLOKOSA-N 429.546 0.406 30 20 ICED C=C(CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 510013524 TXQWUQHHZOFEEI-UHFFFAOYSA-N 442.497 0.575 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512847962 XXHXCKHQJSGRDP-UHFFFAOYSA-N 427.440 0.102 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 514879207 NFEYRIVSVUNXNK-UHFFFAOYSA-N 439.415 0.707 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 535328831 DYOKAPRIIHCYPK-INIZCTEOSA-N 429.546 0.632 30 20 ICED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1nnnc1C(C)(C)C 540848648 RWWMHIUGYHGAHC-CQSZACIVSA-N 431.522 0.936 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)nc1 553599253 ZYXXJEZISNNGOB-UHFFFAOYSA-N 426.521 0.363 30 20 ICED CN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 555279472 JJWUTGOSLPOALV-UHFFFAOYSA-N 449.533 0.618 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 560052858 NWXCDZGHKHXZNM-UHFFFAOYSA-N 442.501 0.450 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 561452869 OWVAYZIMMQCXBT-UHFFFAOYSA-N 447.624 0.984 30 20 ICED CNC(=O)COc1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 561513079 YQTBLIWLFOOSHV-CQSZACIVSA-N 430.486 0.666 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cncc(C#N)c3=O)cc2)C[C@@H](C)O1 578403758 SXPVFMWCWHCCTK-OKILXGFUSA-N 431.474 0.552 30 20 ICED CC[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 588123568 BHRHNLOQRPKTED-LEWJYISDSA-N 427.549 0.886 30 20 ICED CN(CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 603609651 OZMMUNFRAWUIAV-MRXNPFEDSA-N 448.524 0.633 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 611409219 QTPZLSPVKHFQEU-RTBURBONSA-N 437.541 0.548 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 726889406 REODNVCBMDASRE-KBPBESRZSA-N 438.531 0.878 30 20 ICED CN(CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cccnc1 730405311 HMHBGVDPRUFAHC-UHFFFAOYSA-N 428.879 0.732 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039046 HUEYSHPJRWWODU-YJYMSZOUSA-N 436.490 0.285 30 20 ICED Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735083892 XVWDLLNVIXMLKV-MSUUIHNZSA-N 427.504 0.512 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CNC(C)=O)C1 735472780 DFSHRWXNEWBYDJ-RDJZCZTQSA-N 436.534 0.647 30 20 ICED C[C@H](CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742502933 MDRQUIAFDPQAJT-HUUCEWRRSA-N 447.561 0.315 30 20 ICED CC(C)N(CCCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)S(C)(=O)=O 750960704 CPBXSLWCHRKSCL-FQEVSTJZSA-N 449.533 0.502 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755482980 VUDZCHAMOSSWFR-OLZOCXBDSA-N 426.499 0.058 30 20 ICED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 762741704 YDWLTBJVSIBCLL-UHFFFAOYSA-N 435.458 0.651 30 20 ICED COCC#CCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 762851622 JGLDRVDLFSZFKY-UHFFFAOYSA-N 426.466 0.632 30 20 ICED C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767632076 SSAUNMPMRTXYOQ-KGLIPLIRSA-N 445.501 0.996 30 20 ICED COc1c(Br)cccc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 774536479 SABMJRDZDRWXAA-UHFFFAOYSA-N 447.314 0.796 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774539574 BCXOFBUNQWHULT-UHFFFAOYSA-N 434.521 0.481 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 783479962 NQUYSAKSFWIJQP-HNNXBMFYSA-N 432.458 0.714 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1)C1CCCC1 785136129 NYOIPJLTXUKQSI-UHFFFAOYSA-N 440.543 0.848 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)n1 786326005 QONRCDPCJSEFNE-UHFFFAOYSA-N 425.489 0.510 30 20 ICED C#CCN(CC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 799086119 IALRXQHYWLVQOB-CYBMUJFWSA-N 430.408 0.603 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOC1(C#N)CCOCC1 809082545 GJLUEISHRXUUID-CYBMUJFWSA-N 425.463 0.085 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 813565070 RHEBGAFQJWOKEC-AAEUAGOBSA-N 443.489 0.975 30 20 ICED C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cn1 816370626 GNUJIGRMIIGUAG-UHFFFAOYSA-N 429.502 0.299 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918309027 FYPAJPYFICJEHA-UHFFFAOYSA-N 447.473 0.665 30 20 ICED CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1296256000 XOXMVZMUCRKQJX-OAHLLOKOSA-N 438.492 0.961 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1299322077 MQAVUFYCPNFUIN-INIZCTEOSA-N 434.522 0.751 30 20 ICED CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1302681837 WGNSFAMZEVZRMV-HXUWFJFHSA-N 445.549 0.544 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1303867145 NHUCRAHQXOVMEU-DXCKQFNASA-N 440.551 0.586 30 20 ICED CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1312840753 KIITYRFOZKNWDI-UHFFFAOYSA-N 435.506 0.973 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1314555255 ZQYCCVIZABVWDL-AWEZNQCLSA-N 433.538 0.574 30 20 ICED COCC[C@](C)(C#N)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1324181338 LZQDYNIGQUEFFD-LJQANCHMSA-N 425.507 0.694 30 20 ICED CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1360715637 WXZJFUACGUCORW-JJXSEGSLSA-N 426.543 0.678 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509784297 HLFKPDARDCZHDR-WBVHZDCISA-N 437.570 0.286 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1548316147 IRWOWDFWOPWARX-HNNXBMFYSA-N 433.490 0.880 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CCO1 1554452457 XRZLITSMKMMXSH-CRAIPNDOSA-N 427.509 0.630 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993437 OIWMUWDRWPVWIB-GJZGRUSLSA-N 425.511 0.188 30 20 ICED N#Cc1cn(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c(=O)nc1O 1633438596 JTXZZVAMUHRBFM-HNNXBMFYSA-N 446.261 0.673 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1695929928 CSMNBBFKZUATOR-UHFFFAOYSA-N 433.520 0.857 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1731011876 YCGFGVVLWGZXRF-IAGOWNOFSA-N 431.522 0.417 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1743482270 NZXIRJHBCIIGPQ-SNRMKQJTSA-N 440.570 0.902 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1cnn(C)n1 1751223271 MYUGBVQRKFZDAG-KDOFPFPSSA-N 435.558 0.780 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951399 NBLJKXBYNPLFKB-OAQYLSRUSA-N 425.493 0.455 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1779037754 IHVOBMOUJOMTES-OAQYLSRUSA-N 429.546 0.680 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)CC2)CC1 1779139751 HVQBNWVASBZNPM-NMWDDECMSA-N 443.548 0.308 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)c1ccccc1 1779184916 XZJOMYCFAPRMKU-MZLICYQSSA-N 440.544 0.606 30 20 ICED COc1ccnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1OC 1780446381 HPERLIJRKXYYHW-JOCHJYFZSA-N 445.520 0.824 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)ccc1F 1781300519 XJFACPHVHURKEV-KSFYIVLOSA-N 428.464 0.596 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963229 DVKKGXFTXRZOLG-OXJNMPFZSA-N 434.424 0.205 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1782469609 ZCIZJUHRKVBUGI-TXTKFYIRSA-N 443.548 0.774 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782958263 AKZGFJJCWKSCLR-RXVVDRJESA-N 431.514 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783445013 OPTUCRUZRXYBNC-HRTMPFAESA-N 434.489 0.669 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2 1783905676 GUOKQUUMLWKKEM-HXUWFJFHSA-N 425.551 0.291 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783907152 YNJKZJOXEQQBFC-BSRJHKFKSA-N 449.548 0.848 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1784478248 WVGMGLALZKBRQW-YLAKUSLOSA-N 425.489 0.449 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1784495151 YJGGXWCUXXRIRI-LNLFQRSKSA-N 448.520 0.675 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1785576410 LORZNIQCPUGREL-IERDGZPVSA-N 446.508 0.025 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 1786767973 YXYWVWQQGIJUAJ-GIUOSPMZSA-N 437.500 0.899 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680027 BTIMIAZKMMWTGL-HYVAJXQVSA-N 435.550 0.162 30 20 ICED C#CCCC(=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 1789810651 ZFUQFXGURRBVGW-OYSTVDSJSA-N 449.548 0.607 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790747854 NLFJTEDCVKINKK-MUGJNUQGSA-N 430.526 0.595 30 20 ICED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccc(O)cc1 1791336914 SWIPLXMTKJAINH-ZFMNYDKASA-N 438.480 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)OCC)C1 1792956606 WYJKSNSUTRHFOE-GXUNQHPWSA-N 434.533 0.984 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(=O)(=O)c2ccccc2)CC1 1795299205 RZZRXMAOVLJCFT-HGKCTWBKSA-N 431.514 0.744 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795837027 VCMLZJJSSVGLDQ-SCAQPMJSSA-N 432.550 0.440 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1797811394 MGCBBMVZEBFYAA-RMFOBOGVSA-N 433.408 0.215 30 20 ICED C=CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)NC(=O)OC(C)(C)C 1801931148 JXTYZNMHXRPXDR-JYYAWHABSA-N 448.524 0.867 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@H]2C[C@H]21 1802138317 TYTGOOHPTYVEIO-OUSZYSOSSA-N 447.488 0.062 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802603496 WHEYPUJXOXEBHK-HECUFKPYSA-N 439.516 0.472 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802610657 KWBCQLTWAAYWCV-HBFSDRIKSA-N 440.548 0.895 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)S)[C@@H]2c2cccnc2)CC1 1809678033 KNVWXNPLCGORPT-MOXGXCLJSA-N 433.578 0.570 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1815769935 WNTOOWVZMODQBU-VCEKOBTFSA-N 444.496 0.472 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)CC1 1817109755 QKVHVALTCKVQNJ-KRWDZBQOSA-N 427.509 0.870 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819772889 MFPCULNWJQRJJE-AHURVMIPSA-N 447.521 0.079 30 20 ICED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)n[nH]1 1823532152 TUHBHEHONBTLEI-KBPBESRZSA-N 432.481 0.804 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824491020 LGVBCYPAJGSKIO-LMMKCTJWSA-N 441.594 0.972 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)CC2 1826024219 VJACGZKLZYRNGD-DCAQKATOSA-N 434.547 0.982 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826822697 MXKLKAVDNJNSKX-YEUFIRJSSA-N 431.537 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CC)C2)C1 1829763997 GUYZWUOZTJIGOD-YLNCNTMDSA-N 442.516 0.572 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1829773747 SPNPBAVMYRYCQL-GCPVMSDZSA-N 429.876 0.226 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207302 CMNCXHZVIYPHTN-GGAORHGYSA-N 428.485 0.598 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3ccncc3)C2)C1 1831386918 KUYGSIFLFBPXDT-WMZHIEFXSA-N 429.517 0.899 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1833469204 MKMFPKKSKRLOFG-AOMKIAJQSA-N 437.537 0.212 30 20 ICED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834414147 RVEOWUOWNVFLFJ-KURUZVKSSA-N 432.525 0.445 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715320 TUOOCFWEUKWVJR-SFHVURJKSA-N 449.600 0.287 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192596 OQJCOSSXZGWZRN-RETMYHCQSA-N 439.509 0.398 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677349 ONNODIJVFLANSH-NRFANRHFSA-N 449.508 0.173 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681396 VGOHLJRYHMWBAB-PGRDOPGGSA-N 446.552 0.491 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835817657 ZQYWALVUFYLEGZ-NMMYMHLASA-N 445.560 0.758 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836174081 APAVTWULQHMRLA-QFIPXVFZSA-N 439.472 0.290 30 20 ICED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1836559856 JNCGQGZLHVLTFQ-TYNCELHUSA-N 441.623 0.679 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837004960 SGMQKXOLIKWQOA-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1837072208 GPNIVGPEULLSQF-UHFFFAOYSA-N 443.610 0.191 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837396029 AMLNRYUMUOMWSW-FDDCHVKYSA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837402025 BXYUNWIALVHKOU-NMMYMHLASA-N 446.544 0.620 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1837524213 BWCHYCVJSXMLNB-MFBSEBAMSA-N 436.465 0.582 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837559667 ARBXXCSRIBGMPX-KQBANSRISA-N 431.449 0.089 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838211640 YOSSXQDLUCBUIH-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907487 VHBXZLBPORUZHC-AOMKIAJQSA-N 426.473 0.319 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839074578 SYTGVBAZRKUXSW-AUUYWEPGSA-N 431.555 0.674 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#C)C2)C1 1839130780 UHLTWOHLALQYOT-WZONZLPQSA-N 447.532 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1839176169 AARFLWMUJJYIOT-QHCPKHFHSA-N 446.500 0.901 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839224319 IDPANURWCRBEKX-IERDGZPVSA-N 434.493 0.967 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5CCCO5)C4)C3)c2c1 1839488093 WWCPVSKVOUCAQE-XMSQKQJNSA-N 439.472 0.684 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1839889373 RNIJVBSVJHPTSQ-BOSXTWCSSA-N 427.492 0.994 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3CC[C@@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840011376 UVVZONQJUFDFRR-MQKZXWNDSA-N 447.532 0.864 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1840043281 ORHPJCWMVNFPCY-QFIPXVFZSA-N 438.440 0.030 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840281806 PSQVZJQMOKDMJK-HTAPYJJXSA-N 442.553 0.805 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840322264 SEUBDYWIWBXBOY-HXUWFJFHSA-N 434.424 0.123 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1840661363 UMMPHUTVLRFDAI-QFIPXVFZSA-N 428.441 0.170 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840828267 SRJNWGXGVGZCRW-RBUKOAKNSA-N 430.448 0.998 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C2)C1 1840841819 XRFPAGCXXLSEKB-JOCHJYFZSA-N 448.541 0.639 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840900940 UREMVYHAMAIWGD-HXOBKFHXSA-N 442.516 0.811 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1841598567 PMBICDCLTMTHBW-DLBZAZTESA-N 435.521 0.864 30 20 ICED N#CCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2 1842624454 WTTBRPGHFXZTQK-ROUUACIJSA-N 426.473 0.875 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844797062 QQVDPCIWTKYLKB-UHFFFAOYSA-N 434.493 0.400 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CSCC(=O)O)C1 1846392084 DNCMDINRBLPACX-CQSZACIVSA-N 439.534 0.924 30 20 ICED CN(CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)S(=O)(=O)c1ccc(C#N)cc1 109362084 OIISPXCTZBQRCS-INIZCTEOSA-N 432.477 0.778 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 110020356 LTBFTEBDKZHNEM-SFHVURJKSA-N 433.534 0.113 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C#N 438244966 URHURMCMVMXRDI-UHFFFAOYSA-N 430.490 0.447 30 20 ICED N#Cc1ccc(CNC(=O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439289451 LMPPEKYYOVAPMN-UHFFFAOYSA-N 433.456 0.625 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 442285184 QCASIKXJVKMJGS-UHFFFAOYSA-N 430.509 0.601 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 460605212 IZUGKUKDWHAYHH-UHFFFAOYSA-N 431.456 1.161 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460608233 QLHCOXKHVZBJAE-UHFFFAOYSA-N 445.505 0.398 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460662903 PKKSWBQYDXRJMV-UHFFFAOYSA-N 427.428 0.693 30 20 ICED N#CCN1CCC(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 461695084 GMJOVRORMSIULM-UHFFFAOYSA-N 436.534 0.868 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 465157230 OAPXFYLCEFRRHA-LBPRGKRZSA-N 435.448 0.036 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 471693037 NPTANOOMHWKPAW-HLIPFELVSA-N 445.545 0.739 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)NCCOc2ccc3c(c2)OCO3)s1 479022453 FVDWONNDLQISTL-UHFFFAOYSA-N 426.476 0.834 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccon1 480928635 FYRZKGWTBYFYNO-UHFFFAOYSA-N 438.465 0.702 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)cs1 489004317 BSCLOIIZTLVWPE-HIFRSBDPSA-N 431.539 0.962 30 20 ICED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1C#N 489058238 CKTMBGMWWBSZEV-UHFFFAOYSA-N 427.552 0.689 30 20 ICED C=CCn1c(SCc2nn[nH]n2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 497362518 HTJQMBOHZZUEDR-UHFFFAOYSA-N 448.534 0.957 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 497792192 UBZNFYQZUWLZCD-FXAWDEMLSA-N 449.515 0.689 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O 500012880 OVLHGRQYKGOYOE-IBGZPJMESA-N 431.512 0.627 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 501956800 OMVMOCUAIRDPLL-MRXNPFEDSA-N 431.511 0.654 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502052652 UVNBIWZCEZCZAF-UHFFFAOYSA-N 429.452 0.938 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCOC2)c1=O 505658154 FZGYYFSWTSHTIF-OAHLLOKOSA-N 427.530 0.114 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C2=O)cc1 518430252 QBFGFCAOSIYVDO-PMACEKPBSA-N 440.500 0.429 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 523312248 JVVUDPNAZLANFO-UHFFFAOYSA-N 430.417 0.222 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 532595519 WGBAAVYFBSYXKI-UHFFFAOYSA-N 440.504 0.701 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CC(N)=O 533120420 HEMPPHBABIZPRJ-UHFFFAOYSA-N 439.324 0.730 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(N)=O)c1=O 548290070 KKGSHVXSNGDSEW-ZDUSSCGKSA-N 431.901 0.466 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 549669683 LYSOWYKSIOKMSJ-UHFFFAOYSA-N 425.497 1.312 30 20 ICED CN(C)CCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 553269484 YMRNSYFLNJZPFZ-IBGZPJMESA-N 446.621 0.847 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 553695570 BDRWFKCDFIAOSM-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CN(CC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 557611877 SXXBTAQYPSOHDR-AUUYWEPGSA-N 433.490 0.158 30 20 ICED N#Cc1ncn(CCNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 557810414 XPQFDGFJCFKNGZ-OAHLLOKOSA-N 433.494 0.106 30 20 ICED CNC(=O)c1ccn([C@@H]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)n1 560680987 AKBCGAVLABYDOT-MRXNPFEDSA-N 444.517 0.599 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561120770 IKRRMYUULAZCJA-FQEVSTJZSA-N 441.532 0.787 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 561414290 UYOOSBDPCJBZMB-UHFFFAOYSA-N 434.562 0.427 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1F 566944905 IIYITQLQSGBLBM-UHFFFAOYSA-N 431.449 0.632 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCOCC1 584546190 NAYYMNKYGWJHPU-WMZOPIPTSA-N 431.512 0.867 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765549 SEMCBOXAYPSHQF-IEBWSBKVSA-N 432.484 0.960 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552999 SXJRPPDSTZTFKP-UHFFFAOYSA-N 437.525 0.347 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)ccc1F 609220109 FTEYCTWALJNPKH-UHFFFAOYSA-N 442.516 0.571 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 610230623 NQJLFFHBCSWDML-SFHVURJKSA-N 442.563 0.895 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610684521 VHGZYGHGEQJHDK-ARGWCVDVSA-N 426.481 0.289 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 611149738 HUGUYBTUFBBZTP-ZDUSSCGKSA-N 435.423 0.744 30 20 ICED N#CCc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 619485225 VYALPHIEAMXDPW-UHFFFAOYSA-N 428.518 0.890 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)C2=O)cc1 728299996 WUBOIQOJGICRQT-SFHVURJKSA-N 449.492 0.957 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 728534496 NHNIZNJSWWFXRG-QRVBRYPASA-N 428.533 0.246 30 20 ICED C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)CCC#N 729667119 NFOYAWYKQUJBAR-AWEZNQCLSA-N 439.490 0.820 30 20 ICED COc1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)ccc1OCC(=O)N1CCOCC1 731155064 QLDDGOFJYNIYQQ-UHFFFAOYSA-N 427.421 0.124 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(OC)nc3)c2=O)cn1 732564708 PAJVYIGPUUWYIW-UHFFFAOYSA-N 438.513 0.547 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[S@@](C)=O)c1 737293529 MYZJDKYAQOSVCU-LIABPYSGSA-N 442.563 0.713 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 740478428 GXJOHVQQYSPHDN-HFUDNHEJSA-N 436.852 0.970 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NCc1ccc(C#N)cc1 745354049 RTDMABWMWIQWHI-CYBMUJFWSA-N 433.490 0.435 30 20 ICED COCCN(C(=O)COC(=O)c1cc(C#N)cs1)c1c(O)nc(=O)n(CC(C)C)c1N 752587705 UUZHNFFEWKJQQV-UHFFFAOYSA-N 449.489 0.957 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(I)cc2)CC1 754208239 UHFOGMGWCZZLOA-UHFFFAOYSA-N 425.270 0.727 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758083176 KCDKRHOUQHFQML-UHFFFAOYSA-N 437.569 0.963 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 758327534 WLTVQNAYSJHXRH-PWSUYJOCSA-N 429.524 0.954 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 758991624 ZKMANKWVZJRALN-MGPUTAFESA-N 434.899 0.892 30 20 ICED COCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C(F)(F)F)c1 771893221 XWWUFGPTEIPWML-UHFFFAOYSA-N 434.396 0.432 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(-c2ccc(F)cc2)c1C 771897536 PLKUWKIQACRTFD-UHFFFAOYSA-N 434.453 0.420 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 773949355 WHTLIEGYSMSTGN-MRXNPFEDSA-N 448.545 0.726 30 20 ICED C[C@H](OC(=O)C1(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)CC1)C(=O)NC1(C#N)CCC1 785334324 AGCJTHKSBIQWRO-OKILXGFUSA-N 430.461 0.755 30 20 ICED COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(CC(=O)N(C)C)c3=O)sc2c1 788766278 QYRDBYMVQLLPMR-UHFFFAOYSA-N 425.495 0.643 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(Cn2nc(CC#N)n(C)c2=S)CC1 794615620 ALRWUIUGMDRDKM-UHFFFAOYSA-N 425.540 0.976 30 20 ICED COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 802166993 TUEOQJRQYJWBMD-UTUOFQBUSA-N 445.519 0.147 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC[S@](=O)Cc3ccccc3)CC2)c1 805418557 YGHYNVCOFAKCMV-PMERELPUSA-N 425.514 0.667 30 20 ICED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808025630 NNUAZOPMKOGTKC-DOTOQJQBSA-N 428.493 0.585 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 808232325 LSALLMGTFZATHU-HNNXBMFYSA-N 443.426 0.161 30 20 ICED Cc1nsc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1C#N 810893072 QYQFYYPTCDONDJ-UHFFFAOYSA-N 431.499 0.817 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCc1ccccn1 812275478 AWAIZGZWHVLKSS-UHFFFAOYSA-N 444.467 0.468 30 20 ICED CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2C1 812993915 BAQZYXZFNIBSKC-UHFFFAOYSA-N 431.449 0.511 30 20 ICED CCOC(=O)C1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 821735982 OBJLJMYHCWIRTO-UHFFFAOYSA-N 437.474 0.070 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686480 WBWDWSQDNJFFCK-OAHLLOKOSA-N 437.518 0.777 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc1 915777605 KEEOTBXWPDPFBH-UHFFFAOYSA-N 442.501 0.905 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S 920256219 SPCFVJPUIGBUFZ-CQSZACIVSA-N 435.597 0.001 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1288974947 JJJLTCMYVYDRJX-FQEVSTJZSA-N 429.525 0.926 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CCC1 1303823161 KQXDRRNUXJWFNC-PFUSGODGSA-N 428.584 0.929 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309022497 PFGIGFJXLLYMLJ-UHFFFAOYSA-N 426.289 0.726 30 20 ICED CN(CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCS(=O)(=O)C1 1469885359 KRPCLRSFKJQONX-GOSISDBHSA-N 442.545 0.716 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1515993906 KMORDMCKCZEMPV-JOCHJYFZSA-N 439.520 0.226 30 20 ICED Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCNS(C)(=O)=O)C2 1543091274 OFPOHBHFSCJQFN-UHFFFAOYSA-N 427.494 0.286 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)N1CCOCC1 1546527597 LBMFPSIVXGBEQD-MRXNPFEDSA-N 427.557 0.801 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1546579586 NTBQJJVWYGQZMO-QGZVFWFLSA-N 445.549 0.859 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(=O)n1C 1559449049 YNRVKUJWHZBGHV-UHFFFAOYSA-N 439.881 0.270 30 20 ICED CN1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618467918 XQTFCJJGKGREAF-NQIIRXRSSA-N 444.561 0.755 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)c1 1698485208 UWJRSUWESCLCEC-GOSISDBHSA-N 437.504 0.767 30 20 ICED CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1711620472 TYGPVJVENPIICL-JLSDUUJJSA-N 426.543 0.824 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1748107376 VPYWSAVRBWRREC-OAHLLOKOSA-N 425.493 0.494 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1751096074 KXNJFGQAFUSGML-HOCLYGCPSA-N 436.542 0.326 30 20 ICED CC[S@@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1766750315 KIRDERHRZLZLDI-NMEJYPJZSA-N 444.565 0.949 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777711667 HTMCUSYLVGXWBV-DYESRHJHSA-N 446.529 0.379 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020325 LBLPETNWROKPLI-NVAXRVGSSA-N 430.465 0.090 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779058741 WIRCJCDNWSNNFW-SQGOAVPBSA-N 446.508 0.636 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1779401172 CUJPDRQEUIMHLI-CBGDNZLLSA-N 437.493 0.545 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnc1)C2 1779421295 HOSMPFXWECPJNC-FZGGAEBDSA-N 433.509 0.926 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597222 MPWJTTRJPJJUIJ-QMHKHESXSA-N 448.483 0.610 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057440 QYFCSWYJIOQMLV-DYESRHJHSA-N 430.461 0.375 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1782128017 KBJKACSDBDDORY-OYHNWAKOSA-N 429.473 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567657 NWQWBUGALGKGTR-YCRPNKLZSA-N 431.468 0.885 30 20 ICED CC1(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1783567899 HHGSHVVOTJJFPU-JOCHJYFZSA-N 449.504 0.551 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1785383115 KLLJOTKGFXCAKR-GHTZIAJQSA-N 447.513 0.344 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1785572046 HAOYDSJYZKGTHC-VGSWGCGISA-N 443.504 0.837 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1785574430 JWNABGHWFSIXSJ-VGSWGCGISA-N 445.520 0.699 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1785574965 WDYYOWXWLVHRNK-VFNWGFHPSA-N 446.508 0.473 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785723151 QCZYPYKVKKUPSZ-QRFRQXIXSA-N 427.505 0.815 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859154 PZJICFWOKDQRNY-VIXHQSIBSA-N 426.583 0.407 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)s3)[C@H]2C1 1787057623 FSAMFLFQQQROGD-JYJNAYRXSA-N 436.534 0.878 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c1Cl 1787092820 WXVVIEZHNMHLCX-BPUTZDHNSA-N 429.868 0.492 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788715967 PTIGZEPVFIGXIH-LAQRGFTBSA-N 431.493 0.801 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21)C(C)(C)S 1791191842 BOEDZBNSAMIQLB-RZLSGREXSA-N 444.598 0.527 30 20 ICED C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791625491 BSPDZCDZLPJCRO-XWSJACJDSA-N 430.553 0.781 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)CC1 1792899317 BEYLWVVCUBCVFC-QDMKHBRRSA-N 436.509 0.476 30 20 ICED NC(=O)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1794563910 UIZDFYLJPIJVHT-ZEVQPODASA-N 429.477 0.961 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)n1cccc1C=O 1795598602 MAFHOQIROBYGED-BMFAXAFESA-N 429.521 0.733 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1cncn1 1796448484 VLCBMEVOZUKYMA-FKAVDJNCSA-N 429.502 0.929 30 20 ICED COc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)no2)cc1 1796500206 ZEMZTYRCNVCALX-USGNIVHTSA-N 439.424 0.641 30 20 ICED CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1796632697 ZASNOYVEDHXDGC-QEYORNDXSA-N 434.497 0.591 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797608743 SJMFYPPYTFIUFA-GJDDBONQSA-N 429.539 0.264 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1 1799048133 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N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817295286 UVOLFFVQCKBVKG-KRWDZBQOSA-N 441.536 0.940 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819481063 LGSTYUXWWQCJDJ-MNOULKQQSA-N 446.508 0.401 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819706070 JUZXPDQCTFELEC-GXFFZTMASA-N 435.506 0.180 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1823089421 MHCBJZBGHHLARV-ZIAGYGMSSA-N 441.554 0.143 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCN2C(=O)OCc1ccccc1 1828600098 NGOQPRDOTJFKJB-QHCPKHFHSA-N 449.467 0.881 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1829777162 ROXYENOXSWLXEH-HXUWFJFHSA-N 430.567 0.870 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830052920 AXTITSKCSNTGFX-HXOBKFHXSA-N 446.548 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1831396922 SYMNZYAVXWTQCO-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1831399271 UFJAYGREBMTMGO-UZUQRXQVSA-N 440.500 0.682 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1831420112 RQQJAKKXLAWECV-LLBVYWAGSA-N 448.516 0.776 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831492118 IWOLMHPHMPLAMM-PBHICJAKSA-N 427.483 0.342 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1832079433 YRGSGNAEMCOGBQ-JTSKRJEESA-N 435.521 0.866 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833085700 KIDIVNZEJHAZKV-QGZVFWFLSA-N 441.532 0.651 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC(=O)NCCC)CC2)CC1 1833424843 KBEGHAJFWQEVKY-SFHVURJKSA-N 434.581 0.903 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834188784 FXUWYNYAWPDWBQ-NRFANRHFSA-N 431.493 0.139 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626819 KJAFFUJNCWVLEY-KRWDZBQOSA-N 435.569 0.981 30 20 ICED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)cc1 1834877280 ZWCIVMDIXCQVQU-UHFFFAOYSA-N 436.520 0.625 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)CC1 1835338848 VUOBDRNKGXJNLK-OAHLLOKOSA-N 437.346 0.102 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352350 VHWFBXMYGTXJJJ-JOCHJYFZSA-N 448.520 0.924 30 20 ICED C=CC[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1835556200 XYSOTJDTKVREMC-KKSFZXQISA-N 440.541 0.261 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1835680664 JFDLZYFVSCIBKF-OALUTQOASA-N 428.480 0.770 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(C)c3N)CCO2)C1 1835867828 LGVDNHSQUVEHOT-KSFYIVLOSA-N 433.480 0.825 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4occc34)CCO2)C1 1836288816 NQMVIIBNYXNEQY-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836446992 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1839760221 LDXYERPVWQXJIL-QHCPKHFHSA-N 440.496 0.838 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1)C(F)(F)F 1839892795 HCKIBGWWDQLJTH-GUYCJALGSA-N 436.431 0.269 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345521 SWTMVHHBXFWJOK-SIKLNZKXSA-N 432.521 0.385 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840453314 HFAVYAIIYUFTTI-WCAVRKLYSA-N 447.532 0.878 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084977 SKRODCTWTJVOSB-OAHLLOKOSA-N 433.513 0.736 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(OC)ccc1[N+](=O)[O-] 1847262426 XNMTYHGWJLMJNM-XVMAMZMSSA-N 429.433 0.672 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847848595 KKPVXHYVBCGHJV-QZWWFDLISA-N 448.520 0.993 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213642 FWDLSEKMPQPDIZ-OKUYEJEISA-N 439.472 0.907 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCOCC3)nnc12 9549923 GYNHKWSIAOBZIE-UHFFFAOYSA-N 443.485 0.724 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C(=O)N3CCSCC3)CC2)o1 111203700 KGWWXRWAGIBRHW-QGZVFWFLSA-N 432.550 0.543 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 428209460 QWVQLFQIYFCCMY-ZJFXZWFHSA-N 428.518 1.333 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c(C#N)cn1CCOC 441802359 YXVUISUYUFNLII-CYBMUJFWSA-N 441.510 0.715 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460573073 LDQOLTFHUVPLGV-UHFFFAOYSA-N 435.444 1.123 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 460609993 XXERNVLACPRQHF-KRWDZBQOSA-N 425.493 0.859 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 461333115 PUDVWKKNCRFKFA-UHFFFAOYSA-N 429.473 0.754 30 20 ICED CN(CC(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1)S(=O)(=O)c1ccc(C#N)cc1 461946057 YVSYBRQLOORJMJ-CQSZACIVSA-N 430.490 0.407 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCSCc1ccccc1C#N)C2 466972629 HUWSQDXMDBBDAW-UHFFFAOYSA-N 443.533 0.463 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)c1cn(CCC#N)c3ccccc13)C2 467289279 CCEHLKNMCVVZPE-UHFFFAOYSA-N 435.488 0.700 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CC 477016728 AHNOMQTTXBOWPT-UHFFFAOYSA-N 430.530 0.769 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477224045 UBHGHYPRBXUGRF-GFCCVEGCSA-N 446.460 0.797 30 20 ICED COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1-n1cnnn1 482406439 LGSCRMAFIWRSSG-LBPRGKRZSA-N 427.446 0.848 30 20 ICED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 483696873 WJLMMPDINDLEAF-UHFFFAOYSA-N 439.476 0.735 30 20 ICED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 485729691 BDJZGHIMPJHKIQ-YLJYHZDGSA-N 433.578 0.663 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 486657881 ZWUSBOFQHPOYBJ-SFHVURJKSA-N 438.465 0.863 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCCC(=O)OC 501814316 ITGVKEHXDBFRNJ-UHFFFAOYSA-N 447.463 0.946 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)n1 508356380 FULLSEYDMBZOGL-UHFFFAOYSA-N 435.366 0.746 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508482044 VYECNIVUUUWQMM-HNNXBMFYSA-N 440.526 0.828 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 513240148 JCRAJYRVLDXUGW-UHFFFAOYSA-N 448.501 0.454 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(C)C 514645501 MOMHSEYGKMFTME-UHFFFAOYSA-N 430.486 0.740 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cccs3)c2=O)cn1 522389383 HGFKVZKQQDJCSV-CYBMUJFWSA-N 443.554 0.831 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 524281139 IIXPJNDAGRGJSH-UHFFFAOYSA-N 434.880 0.313 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(C)(=O)=O 544863740 XSDBXXGMZORICC-UHFFFAOYSA-N 427.486 0.953 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1nnnn1-c1ccccc1 549676559 UNOXRZCUIXIIQR-UHFFFAOYSA-N 435.444 0.857 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCn3c(C)nc4ccccc43)CC2)c1C#N 550130571 ZGVFCPHMMKCJHM-UHFFFAOYSA-N 434.504 0.723 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N2CCOCC2)o1 564106114 DPOWUYDXMLOHHS-QGZVFWFLSA-N 443.508 0.346 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)cnc2n(C)c1=O 584303448 JSETZKVTHXINML-UHFFFAOYSA-N 447.455 0.050 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)CC1 588236360 IDBZPXKQMRVUNZ-IRLDBZIGSA-N 438.576 0.508 30 20 ICED COC(=O)Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 609013174 LNJCAEJZQRSHOI-UHFFFAOYSA-N 431.474 0.967 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)nc1 610478834 XLQDZGLBKBFOBA-UHFFFAOYSA-N 438.492 0.799 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613080273 WWQQAFOGWIXFEW-UHFFFAOYSA-N 447.513 0.664 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(=O)N(C)C 619695678 HZJFTMQNTJJCBW-UHFFFAOYSA-N 446.504 0.175 30 20 ICED CCOCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402084 DJHIIAGEYBEPOH-XAIYEJPOSA-N 442.563 0.697 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)CC1 729281486 DDLJNXCECJQECI-KRWDZBQOSA-N 434.562 0.661 30 20 ICED C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)N(C)CCC#N 729878495 UUAJFDCREUVJQQ-CYBMUJFWSA-N 426.495 0.258 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C[C@@H]1CCCO1 744130840 PSLVMJURERAZEV-LSDHHAIUSA-N 443.522 0.368 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 749665427 BGNYGFJIBMRJRY-UHFFFAOYSA-N 431.562 0.625 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 750970756 YXLGNCDVMAMXHC-OAQYLSRUSA-N 430.428 0.617 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 757153167 WBWTXSOYQRYJPO-CYBMUJFWSA-N 425.474 0.124 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Br)cn2)c1=O 758068233 JIXDULXHRUKLBM-UHFFFAOYSA-N 443.326 0.826 30 20 ICED COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(F)cc1 759926465 KKQCLFVQKHZWJA-INIZCTEOSA-N 449.460 0.991 30 20 ICED CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843533 ODKDVJGYUWYYMW-IBGZPJMESA-N 443.481 0.696 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2cnn(CC)c2)c1=O 771643194 ZERJRXRQUVWAJW-UHFFFAOYSA-N 446.488 0.917 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CC(F)(F)F)C1=O 773092200 DFJBPSKEIIISAP-LBPRGKRZSA-N 432.424 0.785 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCCS1(=O)=O 773114089 WPQHMNJTEQVVHX-HNNXBMFYSA-N 443.547 0.863 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 779954153 NKVWVRXECXWVCX-QGZVFWFLSA-N 435.506 0.662 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)cc1 791010748 JTDJHFJGULNVFR-LTGZKZEYSA-N 433.490 0.229 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 805864298 RMWQACIFDDKWRK-OAHLLOKOSA-N 438.481 0.770 30 20 ICED CN(Cc1ccccc1S(N)(=O)=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 814349996 YNQFHIGQONKQTB-UHFFFAOYSA-N 436.515 0.421 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 815475692 VHKMYCUPGITICJ-UHFFFAOYSA-N 427.383 0.361 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 901211478 DJARCOONJPVBCW-QKKBWIMNSA-N 430.461 0.873 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 904550813 BATSWVRMIABOMF-QGZVFWFLSA-N 432.444 0.956 30 20 ICED O=C(Nc1nncs1)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918333071 RDUPLHAIBYTION-UHFFFAOYSA-N 434.503 0.454 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCc1cccnc1 1116373797 NLUHFLJQCKRCIP-UHFFFAOYSA-N 438.484 0.944 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1120607968 JBYVOAMQEMLPCP-OAHLLOKOSA-N 429.502 0.575 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1130637489 YLMXMMBURXMWMY-CQSZACIVSA-N 439.925 0.515 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286531406 YTJSFODLTYITBP-GFCCVEGCSA-N 449.375 0.843 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)CC)CC1 1296289606 TVQHMBPWQOCCAA-WJOKGBTCSA-N 443.577 0.843 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1301952669 LUCWKPVRHHQAHT-OLZOCXBDSA-N 432.572 0.451 30 20 ICED CN(C)c1c(COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(=O)n(C)c(=O)n1C 1343370831 GYZNZAUZJDTEJN-CQSZACIVSA-N 425.445 0.118 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1360570796 PFXYECKKDJGWSC-GJYPPUQNSA-N 439.586 0.691 30 20 ICED Cn1c(=O)[nH]c(N2CCn3c(Cc4cccc(Br)c4)nnc3C2)c(C#N)c1=O 1472810773 XAVGVMLUMQYIBU-UHFFFAOYSA-N 442.277 0.910 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1596043664 SQFITZNCXPNDCX-DZKIICNBSA-N 425.559 0.743 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1682366847 JLFWLFFJVIAADL-OAHLLOKOSA-N 429.543 0.430 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1765872931 TZIVHECVAXBTBO-SFHVURJKSA-N 426.543 0.609 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779016089 MBAXQHPXXGCVLW-VWXZLZIGSA-N 434.472 0.698 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779018745 FQEXPSZKKFISQJ-YGPNGPECSA-N 439.520 0.573 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(O)cc(O)cc2O)C1 1781026803 LOCUGXOTBHCZCT-GKIWIXTESA-N 432.473 0.969 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c(Cl)c1 1781967411 AYVHODCQBHHIIY-JXFKEZNVSA-N 433.896 0.248 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(OC)c1 1782013779 JOHFLJIHSSCSSZ-XMSQKQJNSA-N 430.457 0.919 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c(OC)c1F 1783562622 CTYQPHVYOGIFAY-HXUWFJFHSA-N 438.383 0.514 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1784485419 LZBVNAZMHZNPJE-CYDGBPFRSA-N 429.399 0.455 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1785577011 KCZXLXGVHLNQKB-JLTOFOAXSA-N 433.465 0.430 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(O)cn1 1786275149 QHAYQLSRMKAFMJ-YCYHVSFISA-N 432.477 0.910 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1)c1ccc(O)cc1 1786743929 POQJQSYAZQBPBS-ZFMNYDKASA-N 441.528 0.957 30 20 ICED CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)C(C)C 1788474942 ZXGGOQJYUCWDOE-CADBVGFASA-N 436.553 0.836 30 20 ICED Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658170 LVFBJFDGSLSHJL-VDTLCNNRSA-N 435.481 0.688 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1789891171 JCWOFUYPXOEWPG-OWSLCNJRSA-N 445.520 0.766 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1790877737 RDAQHZQNCXPTQZ-BZSNNMDCSA-N 428.524 0.815 30 20 ICED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790907287 SWIZQMZUXAVBSC-FHWLQOOXSA-N 425.570 0.245 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 1791072784 BJPBZRFKDCBRFK-QRTARXTBSA-N 449.847 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)cc1OC)C2 1792489813 VIPGHKNXRMCURL-VLTQWEFMSA-N 443.500 0.765 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1793313512 SUIFGTMRZRUEOH-RUGDWHBFSA-N 434.518 0.089 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1793357131 GXMVPVQZFAECNC-LJCCNALRSA-N 440.500 0.797 30 20 ICED 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]1CCCO1 1795901942 ACNFACGFABJQCJ-RZFLPCETSA-N 435.521 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 1796596677 OHIRHLNTBLGRSL-HGKCTWBKSA-N 434.493 0.242 30 20 ICED CCn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc1C 1797816001 YQPJERUPYBYSBK-PDXWDTESSA-N 433.509 0.944 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797963776 HBGDNRRUIXVTIQ-OXOVRFNWSA-N 440.504 0.127 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)CC2 1800415518 JWDRNJRPPQYKKO-FSTVOOFJSA-N 426.469 0.478 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H]1CCc2nc[nH]c2C1 1801269039 SKQSWARETJZURX-PLXXKPBISA-N 445.520 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Oc1cccnc1 1801404592 XQUVXXOZZYNHRD-PDOICOKGSA-N 431.489 0.948 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)Cn3ccncc3=O)CC2)C1 1804858018 GUDZWWREEANMSE-PLNGDYQASA-N 427.505 0.333 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806585905 CJUQEBNLUJKHQP-QNDYCBLQSA-N 449.508 0.298 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2(C(=O)OC)CC2)[C@H]1c1cccnc1 1812682332 FKGDYULRJQRSSZ-ZLQADLMRSA-N 440.500 0.899 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1814806655 LRTDDBYQZYHVNG-KBPBESRZSA-N 447.561 0.347 30 20 ICED NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819951587 FTBUXNRZHKPMTR-XBTPRCGFSA-N 432.506 0.360 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nn[nH]c2C(F)(F)F)n[nH]1 1820324577 LGIOLWGUGNECCK-SECBINFHSA-N 425.327 0.941 30 20 ICED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)C(=O)C(=O)O 1821715092 TZSGHYIATMBDMR-CQSZACIVSA-N 447.496 0.227 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830636380 GTNRGFFEUGGHQM-QFIPXVFZSA-N 431.489 0.924 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1831397131 UPYVWCTYDFMEHR-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831427768 ZSAONEJQMIFNPJ-LIRRHRJNSA-N 428.436 0.939 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nsnc3NC)CC2)CC1 1833463949 HDKCIHYZVGXDQZ-AWEZNQCLSA-N 434.566 0.803 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1833476942 FPWSHNXVWNBLHN-HNNXBMFYSA-N 427.567 0.967 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833493033 VHSFIOJYZBARBX-KRWDZBQOSA-N 442.582 0.055 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834711577 GKPSAIVYQIJYMT-IIBYNOLFSA-N 439.509 0.501 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102515 UWABJFUFGJMYEN-SIKLNZKXSA-N 432.542 0.609 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835357122 HICCICMDCDRSQB-JOCHJYFZSA-N 439.472 0.539 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c(C#N)c1 1835529009 MYQIAFRVADCYOR-ZHRRBRCNSA-N 430.505 0.161 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)c1ccc(O)cc1 1835534280 ZZWRWWONRBHHFS-WXVUKLJWSA-N 443.544 0.940 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CCN1 1835781934 UOCNWSKBKMQUSD-SYXCRGJESA-N 443.548 0.796 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CN)c3ccccc3)CCO2)C1 1835817658 ZQYWALVUFYLEGZ-SKPFHBQLSA-N 445.560 0.758 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836125030 YQURHLHUZOQZJN-QFIPXVFZSA-N 449.504 0.449 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836880891 PXKUWEZJLGLUSF-FUHWJXTLSA-N 428.599 0.532 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)on1)CCO2 1838122083 WMHJBCNGYCZVSX-QEVIJRNUSA-N 432.477 0.165 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838422678 MIUXQYPYNQJQCV-DEOSSOPVSA-N 445.479 0.851 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1839228126 SYMCWWRZZJZFGY-XQFWAAQXSA-N 447.532 0.847 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839388978 OPEKOUYDHQIYKQ-OAIBDCNXSA-N 444.488 0.763 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1)C(F)(F)F 1839893325 RSBMMFSAIIIDFM-GOSISDBHSA-N 446.426 0.718 30 20 ICED O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258686 HSZMFZFZAOEAQJ-AWQFTUOYSA-N 434.522 0.127 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1847068663 FYYGCJBQSFUWJJ-HZPDHXFCSA-N 449.552 0.814 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC(=O)NCC)nnc12 9549603 HKRGXGQUAWMBTR-UHFFFAOYSA-N 444.473 0.711 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1 16106963 OXAQMJAZQSQLSF-UHFFFAOYSA-N 431.499 0.367 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1C 429965276 SKGWVGXFWSGCHF-UHFFFAOYSA-N 447.521 0.248 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 431312097 HWGMSYIGFCOXBO-UHFFFAOYSA-N 445.563 0.275 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)C1=O 432694757 IJECHLOAFYSPJN-UHFFFAOYSA-N 442.472 0.330 30 20 ICED N#CCCn1ccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 438314593 IMBFZHSQJQTKMO-MRXNPFEDSA-N 425.497 1.214 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 441917119 GEAQQNKCJYZQEY-ZDUSSCGKSA-N 438.481 0.936 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 460812822 ACYWUXPIYAPNNI-MRXNPFEDSA-N 444.561 0.920 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464831730 PLOHDQKLXZVQGZ-INIZCTEOSA-N 428.541 0.559 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465418546 CJAIGGAXXMRUGK-HNNXBMFYSA-N 433.472 0.940 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)cc(-n3cccn3)c2)CC1 472633186 SEIXXSZNIOPKOX-UHFFFAOYSA-N 426.477 0.266 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 473523674 CRUXDWFCNMRRCI-UHFFFAOYSA-N 446.533 0.839 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 491151001 VMHRJNCIGGTMJT-UHFFFAOYSA-N 427.505 0.272 30 20 ICED CCOC(=O)c1cnn(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C#N 499469163 GAMSEHJOJAOLOV-UHFFFAOYSA-N 445.501 0.606 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1=O 501441160 UWUYKWNXVDVVIY-FCEWJHQRSA-N 440.500 0.267 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 502962528 OKBAYBSCGPWYRD-UHFFFAOYSA-N 430.486 0.636 30 20 ICED CS(=O)(=O)c1ccc(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)c([N+](=O)[O-])c1 505611033 PSWRWNPAAGMDBU-UHFFFAOYSA-N 448.505 0.776 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)c1C#N 513762197 RAOHCYYNETXSMO-UHFFFAOYSA-N 432.462 0.874 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCc4ccccc43)CC2)c1C#N 515173967 VOGFIWHFSKXJHX-INIZCTEOSA-N 435.532 0.816 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 521103030 SWLOFRQRZYCQMK-RTWAWAEBSA-N 446.511 0.930 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 539181408 WYJWGLWPAAQUOJ-UHFFFAOYSA-N 445.505 0.270 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 541418592 XAXDIXUVPBMHTJ-HNNXBMFYSA-N 438.506 0.451 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)Nc2sccc2C#N)CC1 555939351 MUMJSABEZOKRJY-UHFFFAOYSA-N 447.542 0.811 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)C2)nc1 559987725 ZLUYZMZBLZVLMI-SFHVURJKSA-N 431.456 1.406 30 20 ICED N#Cc1cncn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1=O 566531531 RLVLXEJGLSWHFH-UHFFFAOYSA-N 437.865 0.428 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 567795535 BZEHARFLHAAULD-KGLIPLIRSA-N 446.541 0.227 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1=O 581674005 ZKRUKWOMHLDBPQ-NHCUHLMSSA-N 441.576 0.727 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 582081765 DKUMNPSANZJMSR-UHFFFAOYSA-N 427.440 1.085 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(OC)c(F)c1 582413435 CJBGSXLFLPNKLT-UHFFFAOYSA-N 440.456 0.699 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119068 CQZQBESHAMXNDD-UHFFFAOYSA-N 431.539 0.527 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CCN(CCC#N)CC3)nc(=O)c12 611176137 WWZLXAUGHUXUHB-UHFFFAOYSA-N 433.490 0.518 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc2)c1N 617884246 VUFIHFFAHZIKOQ-UHFFFAOYSA-N 426.462 0.196 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C1=O 623221839 GOAZQOKMVQTKOX-CQSZACIVSA-N 445.451 0.274 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCN(C(=O)C(=O)N4CCCC4)CC3)C2=O)cc1 726586228 VHDLXRHGEZLRCL-UHFFFAOYSA-N 438.488 0.047 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1cccc(C#N)c1 731811351 QIGKVPIBYPJXLQ-UHFFFAOYSA-N 438.425 0.864 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 740478427 GXJOHVQQYSPHDN-DCOQFNDQSA-N 436.852 0.970 30 20 ICED CCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 742517615 QFMNDOAOCRCTII-UONOGXRCSA-N 427.548 0.929 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 745358051 XXHRENXPWMKOHT-ZDUSSCGKSA-N 433.490 0.952 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)o1 745517219 PEILTYZJZGWFFA-UHFFFAOYSA-N 443.464 0.567 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 755537326 MQTBXBFABIXCRC-WFASDCNBSA-N 436.490 0.904 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 761033869 ZWOWSZVWABZMAB-OAHLLOKOSA-N 426.514 0.266 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 761036882 GOGOLFWEUZZZQD-CYBMUJFWSA-N 429.340 0.861 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766053050 RXNLONXHEJWMOP-UHFFFAOYSA-N 439.409 0.141 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)N(C)C 767884404 LNVMVOAICZTYMF-UHFFFAOYSA-N 448.907 0.596 30 20 ICED CN(CCCC(=O)NS(=O)(=O)CC(C)(C)C#N)C1=NS(=O)(=O)c2ccccc21 776143135 DSTPMSIKZFYEEU-UHFFFAOYSA-N 426.520 0.843 30 20 ICED N#Cc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1 780647510 RTAUUOJHTAFJKZ-UHFFFAOYSA-N 429.458 0.597 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 781529327 KFZSOIDVKQHOQJ-MSUUIHNZSA-N 438.893 0.610 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CCCC1 785143544 CVTVUAIGUNSFGE-UHFFFAOYSA-N 432.546 0.966 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c[nH]1 786902431 SPCZFENVAMZPFF-UHFFFAOYSA-N 427.442 0.448 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)n1 787525810 ADZZZNXKCZCPAX-UHFFFAOYSA-N 433.490 0.761 30 20 ICED CN1CCN(C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2)CC1 787742145 ZJPDTWIJEMELFU-FQEVSTJZSA-N 435.532 0.586 30 20 ICED CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CC(C)C 789934439 MQZIMLTZHVWUJY-KRWDZBQOSA-N 430.509 0.879 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)cc1Br 790835890 JTUQSRMCMRCJDU-UHFFFAOYSA-N 429.252 0.458 30 20 ICED COCCCS(=O)(=O)NCC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 791173671 UFFCUZFDCVVCCO-UHFFFAOYSA-N 435.300 0.125 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 795386113 POOYMSRUOGKAOV-UHFFFAOYSA-N 429.454 0.899 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)c1cc[nH]n1 804164773 LLSZZZXOLWKIAW-UHFFFAOYSA-N 441.441 0.722 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](N1CCOCC1)C(F)(F)F 804710128 YBYDWWRXTDJRTA-OAHLLOKOSA-N 448.467 0.885 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(Br)n2)CC1 806577445 QSXTXKYUCKGFKV-UHFFFAOYSA-N 439.295 0.445 30 20 ICED COC[C@@]1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)OCCc2ccccc21 810735365 UUWJMWKBKHHBEE-OAQYLSRUSA-N 429.498 0.956 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(CC)CC1 816730995 XCJQSRITSWPBAY-QGZVFWFLSA-N 449.577 0.564 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1 908184533 KCFAPLCAQSTWQL-UHFFFAOYSA-N 427.529 0.498 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 915785319 AIFXHQNBHSACHU-UHFFFAOYSA-N 442.501 0.905 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)ccc1F 919074395 DCFMRCZIMLRNMZ-UHFFFAOYSA-N 442.465 0.812 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1286877002 SESHMEDBQDJFNL-UHFFFAOYSA-N 445.549 0.813 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1288825767 LHSLVSWHRXFTNJ-YOEHRIQHSA-N 441.533 0.195 30 20 ICED CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314776481 SRAPGKVGISBOPN-IBGZPJMESA-N 428.474 0.991 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)cc1 1317800584 ZOSVLTBRKYUPAG-UHFFFAOYSA-N 444.517 0.176 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1360241054 ZLEQRVSQJHLLLA-BEIWTESXSA-N 433.582 0.894 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1494255144 ZZCZIGJEQLLNIO-OAHLLOKOSA-N 431.518 0.982 30 20 ICED N#Cc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c[nH]1 1587742681 KEVQOQNUHAUUFO-UHFFFAOYSA-N 430.490 0.265 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1596282280 IQYKHUKGUYUFEV-UHFFFAOYSA-N 425.541 0.973 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 1651931451 NDDUEDVETUIPEC-OAHLLOKOSA-N 442.563 0.244 30 20 ICED CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691323124 OZBBOSYPSKJLKN-OXVFITQMSA-N 433.582 0.953 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC(=O)N1C 1693833285 MCOJUUVWZJPQBC-YJBOKZPZSA-N 426.477 0.811 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CCO1 1698493752 XHQNRDUVJXJSMN-SFHVURJKSA-N 437.504 0.488 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1730420159 ZABLSDXCERMUTN-QFIPXVFZSA-N 440.504 0.917 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1751854063 XCTRSNURLJEXRX-DLBZAZTESA-N 448.553 0.150 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1766757984 AFPDMEZWHBRIOS-AUMHUTNHSA-N 446.533 0.449 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1768452108 ZIEKGJRUYVXXLN-MRXNPFEDSA-N 425.493 0.909 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1769845615 PQUKNDXPYFAABL-KRWDZBQOSA-N 432.573 0.622 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1778999344 UVZSOSCZEMZTFX-KKSFZXQISA-N 448.596 0.466 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1779067322 SIHORXQOARPQKY-LAUBAEHRSA-N 438.546 0.092 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104194 CLROPMRPPGLDSY-HFSPCEDCSA-N 433.509 0.928 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1779140922 KHDAGQLXPDEXBA-FRQCXROJSA-N 427.592 0.898 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779524747 CCWPJEZFIKVENA-WFIYKGMKSA-N 447.448 0.147 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(C#N)cc5)CCO4)C3)CC2)CC1 1781107851 DMOMAXAPVKUFGK-HSZRJFAPSA-N 437.544 0.782 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c(C#N)c1 1781174989 VYKWVEJNIKEGLY-HSZRJFAPSA-N 436.468 0.886 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299999 GZYBMIDLXGWSMR-RXVVDRJESA-N 448.451 0.134 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782010540 BLPMUNUASNZJQP-IIBYNOLFSA-N 428.445 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1783531075 AYKDJMLMOXUGNC-DIXNWWEZSA-N 442.516 0.247 30 20 ICED CC(C)OC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558288 WNIHBJTYMISWFS-OAQYLSRUSA-N 429.429 0.178 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783927820 CICAGRJGBRWOCR-LEWJYISDSA-N 433.436 0.757 30 20 ICED Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1785371613 XZLQETBTXLCHDH-WXDQZKEGSA-N 433.509 0.700 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746675 FBAVADBPZLJXAD-FHWLQOOXSA-N 437.537 0.198 30 20 ICED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1788594473 YYHHMTZOVQYESK-FHWLQOOXSA-N 447.656 0.857 30 20 ICED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)c1cccs1 1789762000 JUKJDRJULGVOJD-QAYBQFKMSA-N 433.530 0.190 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762393 CBXQAYNKSKLTRY-HVTWWXFQSA-N 435.641 0.740 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1793346522 FBNUAXGASYBMDL-AMVTXUCVSA-N 431.445 0.845 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)c(O)n1 1794489255 QIQJYOYRCJXPLJ-QOIYZWAUSA-N 428.489 0.388 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1Cl 1795440938 ZQAIMCRRVLRXCT-CWPLJXCYSA-N 432.908 0.747 30 20 ICED COC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795601046 OYEVMLPZPWAEAM-FKSLSLAPSA-N 448.564 0.837 30 20 ICED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)/C=N/O[C@@H]1CCCCO1)CCC2 1797816174 HFDSYCBOHLQBOR-UHXXWTPBSA-N 445.520 0.641 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1798860649 ULCMCZLYFAQZIF-XEMDLRDOSA-N 448.483 0.405 30 20 ICED 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 1801050507 REJFSVPHAFAGMX-AUGJRDSBSA-N 443.566 0.266 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803566530 LQKBKVLWYNPZGN-SAJDGTNDSA-N 432.521 0.329 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190038 CGCIDBMMSVVJRO-RHSMWYFYSA-N 435.431 0.851 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@H]1c1cccnc1 1808184024 MVGBBLNXSMIMNR-MGPUTAFESA-N 436.424 0.655 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1808454697 LBNPKYLAGLGEQP-PXNSSMCTSA-N 426.477 0.889 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1812677119 RGWXBOMYXAYXSQ-DZKIICNBSA-N 427.427 0.799 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)[C@H]1c1cccnc1 1812877965 SFZWVHJRBPFFFS-ZHRRBRCNSA-N 447.451 0.858 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814568787 IOHVZKOPICABGS-AWEZNQCLSA-N 436.534 0.897 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819707545 XCOFFJBPLFOCOY-GAFUQQFSSA-N 435.506 0.226 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948578 WOWUDPRNADMJLO-VQTJNVASSA-N 446.592 0.898 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758039 RJXSWYGCWPYCGV-BFUOFWGJSA-N 439.538 0.223 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)c1 1829777465 XBIJKZSYHSZLEW-DENIHFKCSA-N 429.521 0.770 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1830459389 VTTFKHKGOPQNRW-AUSIDOKSSA-N 440.500 0.226 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831233295 DCLHYRFRLOKYQZ-CKJXQJPGSA-N 436.530 0.991 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831397450 YJYQZQGEKPJYIB-VGSWGCGISA-N 430.505 0.256 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831406052 QYFAHRCWUWPWFH-OAQYLSRUSA-N 434.493 0.538 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831410424 AMHLPJCRHLSBBQ-OAQYLSRUSA-N 434.493 0.538 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831414112 RHXDYIJBIDIAAY-FDDCHVKYSA-N 446.548 0.954 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831422107 ZZRDMQIPQXZBEB-QVKFZJNVSA-N 437.468 0.890 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831460165 CCPXJZSPOVECRO-KKSFZXQISA-N 449.529 0.309 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1832455939 CUUZBOZCEPHHHV-KXBFYZLASA-N 428.555 0.070 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1832458599 SPHWFRHDCWOXNJ-NRFANRHFSA-N 445.545 0.647 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)cc1 1833114072 LRNJUMDYSSHRGF-HSZRJFAPSA-N 435.484 0.590 30 20 ICED Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1834047452 YNPKWHIPVWLQJN-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cn1)CCO2 1834371490 BVXMNOOLLJVLRL-DYRFGFBLSA-N 428.489 0.318 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)OCC)CC2)CC1 1834403684 NOOHCZRPONMPCP-CGXWXWIYSA-N 446.548 0.536 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834758169 HOYVIBZMBRTCGZ-SFHVURJKSA-N 437.378 0.956 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1834766911 DPFRMJMGWNTIQP-KZULUSFZSA-N 441.410 0.513 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100534 YOOPHPWDDJCCIC-FDDCHVKYSA-N 425.485 0.185 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)N1 1835118442 BVIUEPWYJWVNBC-YCSMXJCNSA-N 447.513 0.222 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)C2)CC1 1835342977 VFXDFHRTPUZBQJ-JOCHJYFZSA-N 427.457 0.718 30 20 ICED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCO1 1836272716 PZQONVIOSBUQRF-XTSMJKTBSA-N 437.493 0.666 30 20 ICED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1836559857 JNCGQGZLHVLTFQ-XUJVJEKNSA-N 441.623 0.679 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837213743 PDVGOYKAVJRJFA-UYAOXDASSA-N 428.551 0.950 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1837400238 ADNZQTCIDBPNPY-JTSKRJEESA-N 438.521 0.525 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1F 1837441060 PEYAQKLNJCBSTL-OKFCBPFISA-N 436.488 0.399 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2)C(F)(F)F 1837485131 ALUHMRZXQOAQKT-RDTXWAMCSA-N 443.426 0.852 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccnc1 1837487149 XQPBRUNHWNMBCS-CVDCTZTESA-N 444.532 0.599 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1837662924 KBPDQSIWTAZIJC-IIBYNOLFSA-N 425.526 0.498 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1837885197 SCLQHWIYYVLVOU-ZWKOTPCHSA-N 439.553 0.621 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ncon5)CCO4)C3)c2c1 1838319085 AHOQNSKHURNJEW-FQEVSTJZSA-N 437.416 0.201 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc4cn[nH]c4cn3)CC2)CC1 1838356780 XFBCFYNCPGOKEV-UHFFFAOYSA-N 425.445 0.658 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838681094 YYIAILOJBPAQHO-DTKOAWRHSA-N 435.481 0.317 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950807 GCUOZWFIHHXUEV-KSFYIVLOSA-N 428.489 0.495 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1839174017 ACZGTRZGASBDQT-QHCPKHFHSA-N 445.516 0.980 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839224683 NOLDGLLQFRADEI-IERDGZPVSA-N 444.492 0.600 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5ccc(F)cn45)CCO3)C2)CC1 1839591424 YNFFEEOOMTXBKU-NRFANRHFSA-N 427.436 0.847 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1840042333 NYSQPBLAQAZXLO-KRWDZBQOSA-N 429.351 0.192 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nscc34)C2)C1 1840044828 ZSCBUJXDPGUXRE-FQEVSTJZSA-N 429.454 0.454 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840157472 QGODBDLKCNLQNW-IIBYNOLFSA-N 435.546 0.533 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(O)c1OC 1840163491 IYOBWRSKIYQFCJ-RNODOKPDSA-N 440.518 0.798 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1840168070 FJJJVXAKWWVWKG-JOCHJYFZSA-N 440.504 0.615 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361332 WCUNYJYCMOTODG-HYFFOGBASA-N 430.505 0.009 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)c1ccccn1 1840501486 IYYIWQHZWUNBAO-WZONZLPQSA-N 443.548 0.923 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1840715805 NGGVDBMWWRBJCJ-JTSKRJEESA-N 438.488 0.675 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN(C)C(C)=O)C1 1841838275 PPJXWQQRSQITLW-QGZVFWFLSA-N 434.537 0.975 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409520349 KYUVRNDUOFSWEU-MRXNPFEDSA-N 428.536 0.079 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 409555941 INXNSHOQXZRFQR-UHFFFAOYSA-N 440.522 0.568 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1Oc1ccccc1 442000935 LCKBHZPAZAGITO-INIZCTEOSA-N 433.424 0.458 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443324242 TWLNHOFUFJLQBF-UHFFFAOYSA-N 427.383 0.803 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444501533 JAEYMGSLHWBBKS-UHFFFAOYSA-N 444.517 0.885 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 460601027 MKIFJEYXAUGVOL-OAHLLOKOSA-N 435.419 0.677 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460962895 XDCBMTILVRADBH-UHFFFAOYSA-N 445.553 0.808 30 20 ICED COc1ccc(C(=O)NC[C@H]2CCCN(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 461498224 NMFWXQYTUFCNRR-MRXNPFEDSA-N 436.534 0.681 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)CO1 462447025 UKRBUZGUZPKPIP-GJZGRUSLSA-N 428.536 0.219 30 20 ICED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 465201468 WUWRGNVKBBKDGC-RCCFBDPRSA-N 425.537 0.718 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccc(C#N)c3=O)CC2)cc1OC 467212320 VUAIPDPMYUMDJG-UHFFFAOYSA-N 446.485 0.270 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 489011740 XEAUHXVEHPSDPV-CYBMUJFWSA-N 440.477 0.942 30 20 ICED CSCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505666817 UTGBONUKMQNWSK-AWEZNQCLSA-N 432.571 0.814 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 506882773 YDOLEUQGHHDPBT-HNNXBMFYSA-N 432.506 0.427 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)n1 513248768 ITEHIFCBFXSITP-UHFFFAOYSA-N 442.451 0.559 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1F 514475007 FJQGNEDXXFLFSL-UHFFFAOYSA-N 442.447 0.838 30 20 ICED CCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 518066879 JMIZVVKHWVRJHI-UHFFFAOYSA-N 443.485 0.824 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 523079508 XGDYAKZEANXABF-UHFFFAOYSA-N 427.526 0.909 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543939929 SREPTJDNLZGJDH-UHFFFAOYSA-N 448.480 0.752 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552194943 WWZXZCIPJJLTTM-UHFFFAOYSA-N 442.519 0.463 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 578455924 DTWBCYVZVBMIOX-VQTJNVASSA-N 444.532 0.430 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)Oc3ccccc3F)CC2)c1C#N 579997470 NBGJGECIDAMEND-AWEZNQCLSA-N 428.468 0.972 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)ncn1 581961679 KWYSONDHZICTNK-HNNXBMFYSA-N 439.524 0.392 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 582372903 UPPGZCVPOLMJDB-LSDHHAIUSA-N 439.586 0.254 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3n[nH]c4nc(O)ccc34)CC2)cc1 590389357 FYCKMWHSDUWGFE-UHFFFAOYSA-N 426.458 1.575 30 20 ICED N#Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 603640546 XNWCYSHQPKQHNV-UHFFFAOYSA-N 449.558 0.525 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 604119555 KJXVCCZXSSSOSN-UHFFFAOYSA-N 447.582 0.999 30 20 ICED N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)nc1 608981928 USMXOVSTBALLKZ-UHFFFAOYSA-N 426.458 0.430 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 610554480 JCOOBIRECFUUHG-UHFFFAOYSA-N 449.493 0.363 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 674194780 HGOPDLWRCPECIW-UHFFFAOYSA-N 428.493 0.068 30 20 ICED CC(C)C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 731863447 WMGKQVOQAQCCGI-WSQOEDGESA-N 428.489 0.995 30 20 ICED CCOCCS(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 732506148 DEDXLNFPRZDLLX-CQSZACIVSA-N 431.536 0.622 30 20 ICED CCOC(=O)CN1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742611071 KMWJEWBLOJSZCY-HNNXBMFYSA-N 436.534 0.601 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCCNS(=O)(=O)c3cccnc3)ccc2c1=O 746271724 RLVZSLGASRWPBD-UHFFFAOYSA-N 445.526 0.975 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 753715334 QZVWSESNYYVSLE-GFCCVEGCSA-N 435.462 0.669 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CO)C[C@H](O)c3ccccc3)n2)cc1 754516749 YJRKMBBEUZGLRQ-OALUTQOASA-N 434.456 0.737 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 757057280 CMFLQNKJNAJAEL-CMJOXMDJSA-N 445.483 0.779 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 758496590 VSOABLNOYKSDTG-BZSNNMDCSA-N 436.557 0.451 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 758758501 IKXWKTLLSSQEHA-ILXRZTDVSA-N 429.543 0.716 30 20 ICED COC(=O)c1cn([C@H]2CCCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 762463264 LSHJJWLREDQBTH-HRAATJIYSA-N 437.460 0.998 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764829954 GOMJZMOPIDMQID-AWEZNQCLSA-N 427.486 0.800 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1Cc1ccon1 765145775 SLGYUINCSCZGHG-CQSZACIVSA-N 441.513 0.907 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 771402199 AYWYBDQHQDZUKU-CYBMUJFWSA-N 428.536 0.046 30 20 ICED C[C@H](C#N)CN(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 774303248 MAUIPQSGMIRYBW-CYBMUJFWSA-N 432.524 0.592 30 20 ICED Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 787081956 XUCMMKQZBDIMST-KRWDZBQOSA-N 439.398 0.171 30 20 ICED C[C@@H](OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1(C#N)CCC1 787607803 HQDKSHHODCOJKB-CYBMUJFWSA-N 436.490 0.161 30 20 ICED C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 790110235 NWPIGGBTNGGTMZ-MJGOQNOKSA-N 434.493 0.828 30 20 ICED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802678989 HRTIMCKPIZRHEK-SJORKVTESA-N 437.570 0.444 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 803938175 HRZQYQYMAPMVBX-UHFFFAOYSA-N 446.489 0.402 30 20 ICED C#CCNc1nc(N[C@H](C)[C@H](C)N2CCOCC2)nc(N[C@H](C)[C@@H](C)N2CCOCC2)n1 804432196 VFXUBQWFSROLJU-MKXGPGLRSA-N 446.600 0.959 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 806912499 YVHYVRULWLPDJM-UHFFFAOYSA-N 442.335 0.812 30 20 ICED C#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 816670713 CUZAWZSIQWSYLC-HNNXBMFYSA-N 434.518 0.027 30 20 ICED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 913611323 WSTIJLQZRVNDPU-MRXNPFEDSA-N 443.847 0.943 30 20 ICED COc1ccc(C(N)=NOCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 917402007 RKGUAQHSTHQCOW-UHFFFAOYSA-N 432.502 0.865 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 917760625 BREAGEYYYGYGTO-UHFFFAOYSA-N 441.465 0.827 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 917770417 MRYVWDDDQHBKOH-UHFFFAOYSA-N 441.509 0.453 30 20 ICED NC(=O)CN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920092877 KQMPDLRPYBQVMD-UHFFFAOYSA-N 435.550 0.305 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCN(C)CC1 920398041 BHMFXRRGPJFBSU-UHFFFAOYSA-N 428.562 0.185 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1290634917 XULATJIDKINEPD-WOJBJXKFSA-N 447.565 0.819 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cnnn1C 1303811214 NDUHJPHMKCQPFX-CYBMUJFWSA-N 429.510 0.573 30 20 ICED CCN(CC)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1318727900 HHMNACPPQMHMHJ-UHFFFAOYSA-N 428.536 0.662 30 20 ICED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1516965313 ZHYKWLITLXNTKH-UHFFFAOYSA-N 432.488 0.951 30 20 ICED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1533727482 JJAUGEZFCPWXHB-CQSZACIVSA-N 430.486 0.962 30 20 ICED CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547157394 QBNYVKJKMYUBLE-CABCVRRESA-N 430.538 0.967 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccc2F)CC1 1570696052 ZZUQQYNTZPSXIO-LJQANCHMSA-N 438.481 0.169 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1616126973 NRUBJXRJHAWQPF-CRAIPNDOSA-N 426.543 0.704 30 20 ICED COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1619925924 SREIZPNPRYWHSF-CRAIPNDOSA-N 437.501 0.513 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1656327520 WJYKIYNEHYNTIC-UHFFFAOYSA-N 432.424 0.936 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCCCC2 1723925834 KUHBEIZBDJPVPQ-CQSZACIVSA-N 447.569 0.994 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cn2ccccc2n1 1723958229 PRFAXODGNUZVAN-GOEBONIOSA-N 444.521 0.507 30 20 ICED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1743364679 XAPZRRZSGHDESB-INIZCTEOSA-N 430.534 0.772 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747455907 HLCSUTJVWQNZHB-WJOKGBTCSA-N 443.577 0.796 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748272424 WJROSINZEMIDPW-UHFFFAOYSA-N 438.536 0.599 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)Cc1ccccc1 1751236141 PFOXVTPKIXDTBF-FUHWJXTLSA-N 447.565 0.749 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823389 IJOAXCZJAABDOZ-WAWZGNHOSA-N 429.481 0.152 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779068511 KWLAVMJQOKTUDF-NFBKMPQASA-N 442.468 0.363 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)C2 1779334986 COIGEWSDWLXLCV-QNFHRHJVSA-N 438.569 0.781 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779336532 QLFGUMBKRSMQGW-DRSNIGMVSA-N 437.537 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)CCC)C1 1779513051 LFHINVWRJVFIMP-IFZBRMRXSA-N 448.564 0.664 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1781268844 ZBSAYKCPMCPPTO-JOCHJYFZSA-N 445.472 0.806 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1781384100 ZZHSYHXSQGARRL-YLJYHZDGSA-N 448.582 0.221 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cnccn2)C1 1782572639 VQDXUIYLNITYFZ-TWEUYWRPSA-N 441.532 0.782 30 20 ICED C#CC(=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 1783056311 SUGJNVANORCBCE-YYOIWWGISA-N 433.505 0.208 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784019241 DUUJZYJWZHOBHO-KHCICDEESA-N 439.512 0.855 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1785382583 XROMQGPYGGVNQK-OPAMFIHVSA-N 426.473 0.293 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc2ccccn2n1 1787262367 ADFFRHSNNSWPRE-UBZBMESMSA-N 439.520 0.794 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269648 LYORCUJTMRWAKQ-IVSAIRAKSA-N 441.492 0.174 30 20 ICED Cn1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)cn1 1788636993 CXZXBGVJDAQWSP-UFYCRDLUSA-N 428.533 0.641 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793843067 YWQJDJOEUCFJAL-MNDZRTMASA-N 444.484 0.925 30 20 ICED C[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794207490 LYUTVGJCVPHVNM-MLHAMCPSSA-N 433.509 0.638 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)no1 1796416029 TXZYJTZRDKHJCN-FEJSZKPUSA-N 436.468 0.953 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796873189 BIMDDURUPHWVQJ-XMAVLESPSA-N 433.534 0.285 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2O1 1797225933 RJXZJXJJQIODFK-PIKOESSRSA-N 426.517 0.862 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797710003 DTTKLVVVXXUOGO-SSTJLMRISA-N 427.545 0.864 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)N2CCN(C)CC2)c1 1799185264 GSFPWBPIEBMHQD-MVWVFHAYSA-N 439.560 0.706 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)c(C#N)c1 1799238463 JKNMRUCJEPXIFM-VPTLXERWSA-N 437.456 0.508 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801948167 HJXZJZWLTGPPDC-ROPHOZQPSA-N 427.501 0.434 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)c(=O)nc1O 1802692242 AXTJMMYIYJDNBG-FUHWJXTLSA-N 438.488 0.908 30 20 ICED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)O 1807206926 XSSLYQRNLYEBKI-YFELARHHSA-N 441.488 0.862 30 20 ICED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1811795624 XPFUVTPRGUALDR-SVFBPWRDSA-N 434.500 0.866 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819892162 XTSUTCRGEZMLIH-QRWLVFNGSA-N 441.513 0.891 30 20 ICED CN1CCCn2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)cc2C1 1821595053 YZLLDOAYVJDSAU-QGZVFWFLSA-N 439.476 0.836 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1829627137 AHKWJKNKKRTYKK-HSZRJFAPSA-N 425.485 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3F)C2)C1 1829765152 IRGMVJILFBKMCN-XBKFQHLESA-N 445.491 0.683 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1830059654 BMAJPHIGUVYEEN-FQEVSTJZSA-N 432.433 0.920 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352926 UQKFPDLZKYLMIV-DHJUGAMNSA-N 445.516 0.198 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456303 JBOLMABZPGHJBK-JOCHJYFZSA-N 428.489 0.083 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1831421706 PLYIZBOOVNKEPM-BTYIYWSLSA-N 437.468 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1833075550 YXPJYDMGGNUSDK-VOFKWLDRSA-N 445.564 0.037 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833289323 HSDCHEFVCDGBIE-HXUWFJFHSA-N 433.597 0.919 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1833464344 DBQFAHRGRIJGAO-GOSISDBHSA-N 428.533 0.458 30 20 ICED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834073864 IAEQRNCFUPIXGI-UHFFFAOYSA-N 430.557 0.282 30 20 ICED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835531124 OITHKPZEAOQFNA-QKKBWIMNSA-N 426.477 0.099 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835713140 HWCVBLGBDKCSMM-GOSISDBHSA-N 431.537 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836174938 SXZANTMMIRZIDL-SJEJWHSFSA-N 442.516 0.329 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837377126 IGVIVIGABNPCAU-JPYJTQIMSA-N 442.516 0.202 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1837447534 QKDZANJOWRUFKW-MSXBTJKDSA-N 430.908 0.839 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccccc1 1837616721 MQBOZFYZTVWJLQ-NHCICSSKSA-N 441.528 0.775 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2NC1=O 1838588336 QVGIYRLLTHUYAD-QKKBWIMNSA-N 428.445 0.390 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839174489 GDPVEUNXPVOSNK-NZQKXSOJSA-N 446.500 0.686 30 20 ICED COc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc(F)c1F 1839384045 PXICXJZGDPFZIJ-HXUWFJFHSA-N 438.383 0.131 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccno5)C4)C3)c2c1 1839487818 XWFJPLOQAFPSCZ-OAQYLSRUSA-N 436.428 0.806 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839967926 GDKRKLDSLSKWRK-VGOFRKELSA-N 434.464 0.699 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1840714125 VNYYJGNFDDAQTL-AOMKIAJQSA-N 438.488 0.826 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nonc5c4)C3)C2)CCC1 1840814039 LHGGHDFRRWPUDH-NRFANRHFSA-N 425.445 0.987 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841136333 MVGSIRDBNSRRSU-HNNXBMFYSA-N 435.525 0.378 30 20 ICED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1841258285 FDTNRMMWCLMNQT-UHFFFAOYSA-N 444.557 0.425 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846997 RRQURFDUMAYSIR-AWEZNQCLSA-N 449.508 0.211 30 20 ICED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1)NC(=O)OC(C)(C)C 1843085619 WYBMMRRDMBNCIU-OAHLLOKOSA-N 433.513 0.736 30 20 ICED C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24374593 CXBRQSLTVUFGSY-LBPRGKRZSA-N 447.439 0.641 30 20 ICED C=CCN(CC=C)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 104853850 YYFLGEBIJWNZCB-UHFFFAOYSA-N 449.529 0.897 30 20 ICED Cn1nc(NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1OC(F)F 426930606 CBKAQAXBKDMCDM-OVWNDWIMSA-N 430.371 0.832 30 20 ICED COC[C@](C)(C#N)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 433958857 JBOATDQIXJFYJL-IBGZPJMESA-N 436.490 0.814 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cc1 440142320 BJSVOOQEYFZEIE-UHFFFAOYSA-N 430.486 0.780 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)C1=O 440234604 ATFLAEXHOGODHK-GOSISDBHSA-N 428.489 0.796 30 20 ICED Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)n1 446522140 JTBSICUSMANXNX-UHFFFAOYSA-N 439.520 0.956 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 463701435 XMKLTPVTWKOLIR-UHFFFAOYSA-N 442.563 0.994 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C(C)C 466980898 LBPDCBYEJDROEL-KRWDZBQOSA-N 433.557 0.357 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 470421686 GMDJVVZMZYYPPJ-DJIMGWMZSA-N 425.507 0.097 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 471144976 KQDYIAOBXOMXQM-UHFFFAOYSA-N 438.506 0.807 30 20 ICED CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471696786 IDOMWOPMYZBKNT-UHFFFAOYSA-N 430.534 0.790 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@]2(C#N)CCOC2)c([N+](=O)[O-])c1 478663345 UAUJCUNQMQGVMX-QGZVFWFLSA-N 426.451 0.803 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(-c2ccsc2)c1=O 479369167 WGGNYOKHRCOUNR-UHFFFAOYSA-N 443.579 0.772 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1 479619736 XSOKBOURKOPFSH-KRWDZBQOSA-N 427.465 0.880 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 484009066 GCPXDXPDUJPQEC-CALCHBBNSA-N 444.536 0.080 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@](O)(Cn4ccnn4)C3)n2)c(F)c1 502224533 UIBIYYPDACKMLH-HXUWFJFHSA-N 438.423 0.467 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 506171562 GMOWUGQANKGHAU-LJQANCHMSA-N 438.506 0.911 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 506634172 LSSHWQQCAWKPKF-UHFFFAOYSA-N 443.485 0.525 30 20 ICED COCCN(CCOC)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 512841964 WWQYWFLXHGCOQG-UHFFFAOYSA-N 448.568 0.563 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 513443629 JWECRPQKDONMKH-GOSISDBHSA-N 435.550 0.238 30 20 ICED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 518531393 YCSWJONURPIDBI-UHFFFAOYSA-N 447.561 0.848 30 20 ICED CN(CC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 534105293 CULINVQVNRCMKU-VQTJNVASSA-N 442.541 0.930 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)ccc2C)c1=O 540868953 FBHJDJIREJSVFK-UHFFFAOYSA-N 433.505 0.660 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccnc(OCC(F)(F)F)c1 550937450 RHHCAZCDJYJGGC-UHFFFAOYSA-N 439.398 0.907 30 20 ICED Cc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)o1 552993549 GGSPUPUMRFTNAJ-GOSISDBHSA-N 432.502 0.928 30 20 ICED CCC(CC)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 555900237 DNMLDYMBMFMDFN-HXUWFJFHSA-N 442.564 0.855 30 20 ICED CN(C)C(=O)NCCN(C)c1cc(N(C)CCNC(=O)N(C)C)c([N+](=O)[O-])cc1C#N 561249233 XIUDZKAIWKSTII-UHFFFAOYSA-N 434.501 0.881 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 569640510 FBAOMGCYONAKDS-QFBILLFUSA-N 432.484 0.912 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)nc1 577185235 HDHZADVJASBBDM-AWEZNQCLSA-N 426.458 0.788 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 585701211 MUFGJTVIWJKVDH-VQTJNVASSA-N 441.532 0.248 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CC1 586850263 YDYKHWZNHYXVQM-UHFFFAOYSA-N 442.520 0.981 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 586853324 DJTVOTYRNHREAS-UHFFFAOYSA-N 447.561 0.582 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 587688097 DGUPEQKABWZQHO-MRXNPFEDSA-N 436.534 0.634 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765553 SJHNZKNVZAIAPY-MOPGFXCFSA-N 432.484 0.565 30 20 ICED CCOC(=O)c1sc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)nc1C 588996280 ZPIHWYRESHQDFB-UHFFFAOYSA-N 442.501 0.860 30 20 ICED CN1CCN(C(C)(C)CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603806594 YEKRFYLCJQMAPP-UHFFFAOYSA-N 448.593 0.600 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)n(C)c2n(C)c1=O 609461797 MNXZDAAZSFTTAI-CQSZACIVSA-N 438.463 0.985 30 20 ICED N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCN1Cc1ccccc1 609686451 JODCVXGZGGLHOX-FGZHOGPDSA-N 426.565 0.812 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 610391693 HNCVHXOPBSIYJI-UHFFFAOYSA-N 434.562 0.870 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 728571176 DIOMCWKQJAHZBM-OALUTQOASA-N 427.549 0.606 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 729031958 VGFOJUZEQRBXFO-UHFFFAOYSA-N 438.465 0.624 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1cccc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 744014740 YRYUBIKARYAYJH-LBPRGKRZSA-N 432.483 0.880 30 20 ICED COc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(N2CCN(C(C)=O)CC2)n1 746196256 IRRFCTUKVRQMGU-VZCXRCSSSA-N 442.476 0.614 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CSC(F)F)CC1 749415646 PARHJWNUJFYPPZ-UHFFFAOYSA-N 433.458 0.890 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)CC1 750421453 UTHNXUCORKHOCY-UHFFFAOYSA-N 437.518 0.842 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 756029624 JHXQXCOEPRXOKF-IXPAQYDLSA-N 443.551 0.784 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 756302774 PJFNKZOCPGCVQS-UHFFFAOYSA-N 446.884 0.895 30 20 ICED O=C(O)Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)nn1 759077469 YTJPCPJNYOKSCU-HWYHOQROSA-N 448.457 0.887 30 20 ICED COC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 762941329 JNFBZTPVNBHUMH-SJKOYZFVSA-N 445.453 0.781 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 766382484 NPWOUGFUDJHKCQ-MRXNPFEDSA-N 448.545 0.713 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(=O)N(C)C 782696868 OULLYLXFOKNVKQ-UHFFFAOYSA-N 436.946 0.518 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 783463891 JECJATGQWAFNRP-UHFFFAOYSA-N 449.467 0.831 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)n1 789331902 KOYKVSHDCZPWFL-JOCHJYFZSA-N 438.488 0.845 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)nc1 804081779 QNRLYYCOOIPHDE-UHFFFAOYSA-N 449.515 0.336 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1nc(-c2ccccc2)no1 804121511 KIIDPZYCHLDCEW-CQSZACIVSA-N 427.442 0.625 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 915473423 VTIVMFFKHBTFCK-AUUYWEPGSA-N 425.507 0.899 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c1 916675520 KCMQHDJISBDZKO-UHFFFAOYSA-N 434.499 0.416 30 20 ICED CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918249112 RIKLVQSKEMLPRY-CJLVFECKSA-N 438.506 0.896 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1299304041 XYOWZPOEIFZDDU-RHSMWYFYSA-N 434.522 0.606 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1468557307 JLBHPRLMQUBOOH-PXNSSMCTSA-N 433.534 0.958 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1541003733 UFMGBDQCVKTXOI-INIZCTEOSA-N 439.524 0.685 30 20 ICED CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1552870849 KZFFSTDDLLASQW-RTBURBONSA-N 439.520 0.947 30 20 ICED CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1615706646 ZANCAKZPUJWUKC-RHSMWYFYSA-N 447.569 0.330 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccccc2C#N)CC1 1627568340 FYOLXKNGWSSZBM-KDOFPFPSSA-N 434.543 0.996 30 20 ICED CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1711001831 LBYYSZRCJXPKRA-DAYGRLMNSA-N 440.595 0.346 30 20 ICED CS(=O)(=O)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1731005352 QAOGDWZQEPTMKW-RHSMWYFYSA-N 433.490 0.954 30 20 ICED C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)N1CCOCC1 1741834421 OODWWGYFMYQCPE-INIZCTEOSA-N 447.565 0.523 30 20 ICED Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1742303472 LXZANAMOHLCDKZ-SFHVURJKSA-N 437.504 0.868 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CCN2C1=O 1748053026 NLYJOMZRWDEOBD-QGZVFWFLSA-N 443.533 0.807 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1750208979 LJODSWKCEMEHQA-NVXWUHKLSA-N 431.522 0.274 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1761495755 YLXDWKHQKHUTGJ-RDTXWAMCSA-N 439.542 0.861 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777702626 HPQLYDROIZXYTL-IVZQSRNASA-N 426.473 0.537 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740712 ZUFGCOLFJVRZHZ-IIHIVLJSSA-N 425.493 0.645 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779077095 WDJWEBTZGFNEJB-QAPCUYQASA-N 432.420 0.523 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779404553 TVKMNRIUVHFVNH-CBGDNZLLSA-N 435.477 0.299 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058288 VEYYCIPNUUBMFM-JOCHJYFZSA-N 441.488 0.516 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1780433536 UXAHEZUZZYJSND-UAOQYHQXSA-N 435.481 0.401 30 20 ICED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc2nccn12 1782352768 KACXCKUMWHBXIG-SGCYSOCQSA-N 439.520 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782566616 YPJBVHMPMHZDIZ-DYESRHJHSA-N 433.509 0.692 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21 1783530781 DCSUPTAUMHTKBU-ULPAQXSLSA-N 441.532 0.671 30 20 ICED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785863863 FBOFIURUFIPETE-FRXKJFCESA-N 429.477 0.734 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)cc1 1786799262 YHPSEQYEYHGNKG-MUGJNUQGSA-N 441.532 0.063 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(O)C(F)(F)F)C[C@@H]21 1786858153 LZLYZOHSJURYRU-WZTLGTBRSA-N 434.459 0.561 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788601828 OXJSHJKDJIISSN-LTADTEAASA-N 429.521 0.300 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)cc1C#N 1789918394 BJZXQJYYCXBKMQ-CUWPLCDZSA-N 445.516 0.948 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1cncn1 1791610642 IIVOGPXBZKFYMR-OBRXXLEPSA-N 434.497 0.348 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)c(O)n1 1792280882 WBSDSVKIJXLDLE-JQFCIGGWSA-N 431.493 0.167 30 20 ICED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424755 RXZCMZXYYYNQDN-CEQLMSFQSA-N 426.517 0.853 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793361597 QFJKRIPWUGYROA-CWLGOENISA-N 430.505 0.381 30 20 ICED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)n(C)n1 1795081172 SOAVDZOSMRTODW-ZSBFGKGUSA-N 446.508 0.908 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795582032 NVQNBKVEITXOIJ-SFNKJDCFSA-N 434.537 0.232 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440000 DCISSBGVFUZEJI-XEMDLRDOSA-N 425.551 0.195 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321615 IFEMSPJTYSEQAK-DLTLXFJOSA-N 435.550 0.174 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)cc1 1797889249 DGSJFTMKWSMWTR-OPVJXMOQSA-N 433.468 0.990 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c(O)c1 1798833580 KGLFHMHFUKOCQG-CCWDJLKJSA-N 430.505 0.886 30 20 ICED O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799083299 LDINQTCCPHFFOT-IRJINJETSA-N 429.480 0.913 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)cc1O 1799324613 NEPYBNZQBLUVDE-YVWYUNDQSA-N 427.436 0.582 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)c1 1799610746 DWABMUPDEKZMQG-KMQSCTNJSA-N 441.528 0.765 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800134279 LQCDRNJUFQJULK-ZSBFGKGUSA-N 445.451 0.581 30 20 ICED C#CCCC(=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 1802016465 JLJRXUJXNDPGDG-VBRUWADQSA-N 449.548 0.607 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804183083 KONNLLYNHPQQTK-BEFAXECRSA-N 431.518 0.558 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)CNC3=O)[C@H]1c1cccnc1 1810043632 UJDJWFAZFRVZQX-HRAATJIYSA-N 432.436 0.733 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1 1814435863 CCVUWTVOGVIEQE-KVPUOBJLSA-N 440.460 0.973 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819953593 RMUYEPWGMKUBLK-FSJGDKHBSA-N 447.517 0.918 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)N1 1828913987 RMKJPGODJBBQQS-SDUZWFCOSA-N 446.552 0.676 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1829764927 ZCSAVEQQJWHSMH-RHVSLNNASA-N 429.473 0.321 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1830061657 QOJGURWRKSSOGN-FQEVSTJZSA-N 432.433 0.920 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1830061690 SAPVWWMQFVUILT-CVDCTZTESA-N 439.516 0.759 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831254430 JGUAIQJYDKMZRL-DENIHFKCSA-N 426.473 0.940 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1831385712 DYZBSILHWGWIQE-VBKZILBWSA-N 437.880 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1831398969 NGZXHMNAFDNOMK-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833199489 BLTBJEWKFHWFFB-HRAATJIYSA-N 426.477 0.489 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cnc4ccccn34)CC2)CC1 1833294290 RQKYHWMNUCDMOT-UHFFFAOYSA-N 437.500 0.536 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833358459 DCOIUHXCAYROMO-HTAPYJJXSA-N 430.505 0.256 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC(=O)NCCC)CC2)CC1 1833424842 KBEGHAJFWQEVKY-GOSISDBHSA-N 434.581 0.903 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC)NC)C3)C2)c(O)n1 1833699101 RWJUWBDKXDHEBN-CVDCTZTESA-N 446.548 0.974 30 20 ICED Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834316466 XUDPPELOWVZTCU-YRPGDMADSA-N 436.465 0.582 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328677 HMVTZZYFDPEUNY-CYBMUJFWSA-N 434.566 0.130 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1CC)CCO2 1834418512 OABUJMBVGBVLJM-OAQYLSRUSA-N 434.493 0.482 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299388 GXRFLVBAWYHBKZ-NFBKMPQASA-N 446.500 0.686 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(C#N)c1 1835359025 RWHHOFQIPJQDJO-QFIPXVFZSA-N 426.473 0.870 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835856279 OZZWRIYPARSLRF-NRFANRHFSA-N 441.444 0.379 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493342 AFAOVCCAWIHMFU-QHCPKHFHSA-N 435.565 0.482 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C1(O)CCC1 1837559870 BYYQPNHVHKOFIM-SNMCFTQTSA-N 433.505 0.706 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837667182 KQXFBANFPKVESO-JOCHJYFZSA-N 432.521 0.692 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426907 JVISAOUTMQEMAR-IIBYNOLFSA-N 444.492 0.600 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838736290 VUJODRXCULQSFH-NRFANRHFSA-N 426.477 0.323 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950361 KWYVSBQUGCCCSV-QFIPXVFZSA-N 437.456 0.741 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cn1 1838950441 VUJFEFHZFBZNDT-QFIPXVFZSA-N 437.456 0.741 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc(C)c1C(=O)O 1839481447 JHZYIGYPMHTOBX-QFIPXVFZSA-N 444.440 0.160 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5cccc(F)c45)CCO3)C2)CC1 1839619020 NXWOINNKEKDSLZ-NRFANRHFSA-N 427.436 0.847 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840159856 PNYUCMMHYLKSQV-MEDUHNTESA-N 434.440 0.884 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)C1 1840164205 BTSRYDZBEKSBFC-MFCZKXCZSA-N 428.551 0.741 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840563113 CAUYDICVJWGWJX-QHCPKHFHSA-N 428.533 0.897 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1840714469 VACDMPUDRBYOND-JTSKRJEESA-N 438.488 0.675 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(=O)O 1840838105 NOKVUZPSLFOZSI-GBKYUFMXSA-N 434.489 0.172 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1840920641 CNGCVQIDRZWLGB-AUSIDOKSSA-N 442.516 0.308 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 1842809908 KJSTVJDZEIJGLP-KTKRTIGZSA-N 445.541 0.694 30 20 ICED N#Cc1ccc(CN2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 23258073 ZQJMJPGQNZRWIC-NRFANRHFSA-N 445.589 0.007 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C#N 430497003 GJGUPKCJFKVEBO-SJORKVTESA-N 441.536 0.156 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H]3C[C@H](OC)CN3S(C)(=O)=O)CC2)cc1 436319666 FLNGPYLNLBOFRG-IPMKNSEASA-N 436.534 0.453 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447413710 QCYQDRUMJCIVCO-CQSZACIVSA-N 436.451 1.340 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 465422273 JHUGOPAPQXJOME-AWEZNQCLSA-N 425.449 0.444 30 20 ICED COCCN(CC(=O)N(C)C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 467141146 VIGUIJJGRPZBRC-UHFFFAOYSA-N 444.492 0.491 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cnn(C)c1 471106794 CHXYJFNDCKSXNQ-YSIASYRMSA-N 436.472 0.502 30 20 ICED COC(=O)[C@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC1 484473578 MVNBYNKSFHQDNJ-INIZCTEOSA-N 448.545 0.807 30 20 ICED COCCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488259551 DYKLYVNAAIPCCJ-MOPGFXCFSA-N 448.545 0.894 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n1 505073181 FAMWLFNQYSEBOT-OAHLLOKOSA-N 444.496 0.869 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 508905335 ZMDCELHVNVLASJ-UHFFFAOYSA-N 439.480 0.963 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCC3CCN(CC(F)(F)F)CC3)CC2)n1 518554930 AUKOHDHMFSBGGP-UHFFFAOYSA-N 438.454 0.992 30 20 ICED CNC(=O)Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 536777372 PWMHGVASNFFZST-UHFFFAOYSA-N 431.478 0.039 30 20 ICED Cc1cc(NC(=O)C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)nn1CCC#N 538083803 ADWMGYYEUYFZDO-UHFFFAOYSA-N 434.478 0.610 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 543223960 YZVMDMVBBRHEPG-HNNXBMFYSA-N 432.477 0.618 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1 547890179 DMBGNVSOQMHBMP-UHFFFAOYSA-N 436.490 0.790 30 20 ICED C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549644821 WRSWFUNJDSXPKI-MRXNPFEDSA-N 440.504 0.979 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)c(F)c1 550063359 LHLQSLWNPZWPHA-UHFFFAOYSA-N 425.468 0.980 30 20 ICED CC(C)(CO)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 550103144 YORRNOXZSWYIEK-FQEVSTJZSA-N 434.562 0.778 30 20 ICED CN1C(=O)CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1c1ccnn1C 563557952 XVOZWMDGJTUJAL-VQIMIIECSA-N 444.517 0.704 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)n(C)n1 564357100 KXOFFHOSZZOGFT-GOSISDBHSA-N 436.520 0.429 30 20 ICED Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 565267861 WFPMPFYFNJEPJI-LJQANCHMSA-N 447.499 0.617 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cccc21 568377508 CEKAPZZWINMGAZ-UHFFFAOYSA-N 434.499 0.797 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 584202090 BTSQZHSQSOQMQI-HNNXBMFYSA-N 428.470 0.767 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 588127420 GOEUPMRANOQSFP-UHFFFAOYSA-N 427.505 0.206 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 589297258 FXGBOPIHCWZYSD-UHFFFAOYSA-N 441.560 0.742 30 20 ICED N#Cc1ccc(CNC(=O)C[S@](=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 609362793 AWUJTURSNNOTFY-LJAQVGFWSA-N 448.526 0.398 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 619762175 APNBZOJHCMWESX-UHFFFAOYSA-N 434.478 0.718 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(CC(=O)N3CCCCC3)CC2)C1=O 725767986 GUZBYKSZGSFALA-HSZRJFAPSA-N 438.532 0.913 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 728533014 RTNWKQIVXLLTQC-UHFFFAOYSA-N 426.517 0.198 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 731126005 ACRRDIMMZJIMPC-UHFFFAOYSA-N 442.497 0.633 30 20 ICED COc1cc(CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c([N+](=O)[O-])cc1OC 732441628 JWWXWJDEHQSBAV-ISLYRVAYSA-N 433.421 0.980 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 732957209 PJNQUYDDUPCBFR-GOSISDBHSA-N 448.501 0.736 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 733892711 SAXJXJBFMDXWJS-WUKNDPDISA-N 426.882 0.651 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 742290112 KFJDGEWWQAMODW-UHFFFAOYSA-N 435.937 0.890 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CC(C)C)c2=O)cn1 743728526 LIOGPDVPGXCLCY-OAHLLOKOSA-N 447.561 0.063 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 749638968 HTPNBIYCOIRFCH-UHFFFAOYSA-N 434.518 0.765 30 20 ICED C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1OC 753678733 PEZITYWGNMQPGZ-ALCCZGGFSA-N 433.490 0.924 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754616030 ODNGWEIEYCWMPT-KRWDZBQOSA-N 427.461 0.842 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 755549616 TYRGGOKRFFVEKS-DZGCQCFKSA-N 448.501 0.830 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)C1=O 755670281 PCMJGJKJTFHLQZ-FZKQIMNGSA-N 442.542 0.789 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758090834 LYYYGJIPUIHFRF-KRWDZBQOSA-N 441.557 0.821 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(=O)N(C)C 758586217 WLLIOGMHDLNUQD-UHFFFAOYSA-N 447.586 0.607 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CCO2)c1 762011774 SQSYMGWZKVIEIO-KRWDZBQOSA-N 432.433 0.883 30 20 ICED COc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769218647 WIWGDRDTRNBCIQ-UHFFFAOYSA-N 446.441 0.737 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782129714 NGXSNZQXRDRVBJ-UHFFFAOYSA-N 436.472 0.503 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 783545315 PXFSEJFBTXFDHY-HUUCEWRRSA-N 430.548 0.815 30 20 ICED COC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)C(N)=O 791792023 VWUOCYOFJJASOO-QJIFYWSCSA-N 425.511 0.901 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 796153873 WFIWGOLVDSWKSA-UHFFFAOYSA-N 433.442 0.645 30 20 ICED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1)S(C)(=O)=O 807298581 DTQOUKRAYLJLPE-CYBMUJFWSA-N 426.470 0.797 30 20 ICED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1=O 812289270 BCTWESVGSQLQQO-QVKFZJNVSA-N 435.525 0.984 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 838167399 WTGSUAWGPHJMFO-UHFFFAOYSA-N 430.486 0.740 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)CC1 842311937 ZKTKGMLBHIKSES-SFHVURJKSA-N 435.594 0.846 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 895060482 BNFNELWNCZDAGS-AWEZNQCLSA-N 439.490 0.573 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 916417009 AIGVDKQTAYVVNM-UHFFFAOYSA-N 436.515 0.929 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 1190969048 XUIRXFAKHYGZTM-HNNXBMFYSA-N 448.592 0.804 30 20 ICED N#CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1261086185 QACLURMMXSEEMC-UHFFFAOYSA-N 429.454 0.994 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CC(=O)N(C)C 1291195199 LVYMDEMBYCWZPW-HNNXBMFYSA-N 432.492 0.805 30 20 ICED CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1305552090 WOEQIGDBASMCAA-WMLDXEAASA-N 425.493 0.784 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502669263 ZNTBHVNSWLBTPA-IBGZPJMESA-N 440.570 0.998 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1503680621 XLTKTSRHMSBMCN-YLJYHZDGSA-N 430.534 0.507 30 20 ICED C[C@H]1CN(C(=O)c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1543721586 QVSBAGMLNBATHW-KBPBESRZSA-N 425.445 0.386 30 20 ICED COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1555205214 XQFUVQZWSVRMII-UHFFFAOYSA-N 428.493 0.795 30 20 ICED CN(C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1617691986 ZVENMYDSALQMQA-GOSISDBHSA-N 425.541 0.737 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1618568025 UXDLAHFXLBBIPH-BTYIYWSLSA-N 428.493 0.698 30 20 ICED COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1619648686 KZEYWBQRIWVUBL-HZPDHXFCSA-N 439.538 0.352 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1638690865 PALGKEZJZUSSHJ-UHFFFAOYSA-N 431.541 0.802 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCN2CCCS2(=O)=O)cc1 1698489541 SCHHWRJFWUMRHP-UHFFFAOYSA-N 446.533 0.991 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1741125082 JUUVSGUYBYHBJR-LSDHHAIUSA-N 427.575 0.331 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1750383439 VOABAIJFBSFVKP-MOPGFXCFSA-N 430.465 0.808 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1761474237 YCNGRFZXMXIEOM-ZFWWWQNUSA-N 444.583 0.453 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767845775 YJOHOPXCXGIDOH-GOSISDBHSA-N 440.533 0.543 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1778117345 UXAFSJWKMVRRSB-AUSIDOKSSA-N 447.576 0.971 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778367978 APUCLLAICPYXLE-NRFANRHFSA-N 444.492 0.106 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1778971673 NJOKHKJWFIXFTP-XUERSVHISA-N 445.516 0.855 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1778973560 LRJUSAIFGIGMSA-VFNWGFHPSA-N 425.526 0.914 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1779000796 ZLLSKTHWYKUPPX-DYESRHJHSA-N 437.613 0.930 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2 1779063590 XXAHBTFENKFTNF-OAQYLSRUSA-N 430.461 0.030 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779318348 JZEWLSJDFYUTJX-KNQAVFIVSA-N 446.479 0.221 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CC1 1779364165 GZZDCRSNDKNILH-GRCSCBDFSA-N 448.612 0.219 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c1 1780169855 YMTRQEMSEROHFP-JOCHJYFZSA-N 428.489 0.925 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1782106351 VVZRAGKQXKKTIR-VTJXTGGHSA-N 441.525 0.280 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782206681 VVKWRFMUWWVJKX-OBNJBMLMSA-N 441.525 0.917 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1783207480 LQYKLDLCDWSFAG-PBHICJAKSA-N 436.383 0.430 30 20 ICED CC1(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1783567900 HHGSHVVOTJJFPU-QFIPXVFZSA-N 449.504 0.551 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1784037253 CHCKASOLIRCBCY-ZHRRBRCNSA-N 426.473 0.537 30 20 ICED CN1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784113214 OLCUPERPJWLSTL-FTYFQERISA-N 436.553 0.979 30 20 ICED CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)C(C)(C)C 1784315580 XNSTZYXQSXDLLA-VJANTYMQSA-N 449.596 0.799 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784387313 NBVFMEOXKFAVPH-FQEVSTJZSA-N 426.502 0.841 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)C1 1785197982 QBDRJZYLEZORJJ-JOCHJYFZSA-N 428.489 0.925 30 20 ICED O=C(CCc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787043313 DAGQSIFFFSMUHK-SUEYAYHKSA-N 445.520 0.918 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CCOCC3)C[C@@H]21 1790789912 QMJUVEURFIOISC-BZSNNMDCSA-N 449.548 0.921 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072407 JPLBMVPUHYWIOE-HAGHYFMRSA-N 425.485 0.111 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)C2 1793344501 BCTHUNMNKPVGKW-FVMPEHLCSA-N 445.491 0.572 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c(O)n1 1794491257 ZHEXQUMOJYNXBU-MFCZKXCZSA-N 442.516 0.635 30 20 ICED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#Cc3ccccc3)CC2)CC1 1795278012 ZYCXZQWYQYKFSU-IUTQVRIDSA-N 436.556 0.408 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)c1 1796305872 JWYCJJWXKNXJCM-FTUNRGFVSA-N 443.504 0.927 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)cc1 1796570402 BFZIDYHQRZPLNF-MUJYYYPQSA-N 432.444 0.179 30 20 ICED Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811802 XGVDYSNSSNCDRW-YPNLISEHSA-N 437.522 0.766 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1798263497 ZMDOVSQKFRNIIE-SFKKXUDOSA-N 445.520 0.880 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799146026 JYZOUEYGRJWVKG-IPLXSBJHSA-N 445.564 0.259 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1799304423 PJDJFFBJSXDMBC-KAUDDPROSA-N 447.532 0.486 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(O)nn3)C4)c2c1 1799883644 VYNFOXTWXKJPEY-IVWMJMPLSA-N 433.428 0.447 30 20 ICED CN1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1799884758 UIMPNGNEKGLCCC-LJCCNALRSA-N 436.516 0.980 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)cc1C#N 1800518899 MKUYKVREVJVPEX-UPHUGPLXSA-N 428.489 0.814 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1801166355 ALQHVYGMQDIEHB-OPVJXMOQSA-N 439.578 0.441 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2c2cccnc2)CC1 1806841990 LQAZOXAOARIEMQ-MJGOQNOKSA-N 445.545 0.122 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C1 1809822975 ZQZKRWPTMRETDV-OENGKMLESA-N 437.541 0.339 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)c1 1811540883 NYCKWACQUIYHEF-HNAYVOBHSA-N 444.455 0.804 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713371 VOVGNTQPYPCXTD-SXLOBPIMSA-N 438.594 0.328 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC3CC3)n[nH]2)CC1 1815117944 GCADPMMQPXPFSB-IBGZPJMESA-N 426.521 0.979 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NS(=O)(=O)CC)n[nH]1 1815163661 GCVBAJKWDWAGJW-LZWOXQAQSA-N 439.538 0.768 30 20 ICED N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCN2C(=O)OCc1ccccc1 1829471831 OUOVTLSBTUOGGN-NRFANRHFSA-N 442.476 0.020 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)COC1 1829628907 ZDPFLHUJWJIKOP-QHCPKHFHSA-N 427.501 0.984 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)c(C#N)c1 1830602949 NFPPRHWPZBOMQK-QHCPKHFHSA-N 441.484 0.545 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831212840 ASYGPVWRAGZEIA-QHCPKHFHSA-N 426.469 0.941 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1831388579 ZLDMYWIFESTRNV-VGOFRKELSA-N 432.521 0.746 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831460126 AYOVULLTYAHJQP-KKSFZXQISA-N 449.529 0.309 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831596703 RJKHWPBCJMLZRI-GAJHUEQPSA-N 442.516 0.459 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1832452073 RPEFXQKXSCWUMF-LJQANCHMSA-N 438.575 0.944 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2)C(F)(F)F 1833573570 JDZXQXHPSKSMES-QGZVFWFLSA-N 448.373 0.971 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834575224 TWGKCVYMCHOQSP-VGSWGCGISA-N 431.489 0.507 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1834742751 WQUYLLLBKSZHQN-MAUKXSAKSA-N 439.557 0.422 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(O)c1OC 1835345784 BGSUGGMPIFJGOI-QFIPXVFZSA-N 445.472 0.783 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835626243 ORYMUGHWTVSGHL-PDEZOQIOSA-N 434.497 0.107 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835667786 HWJOUPVSROTADH-QFIPXVFZSA-N 440.504 0.504 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1835674071 DSLRGCLUUXNXAP-IBGZPJMESA-N 436.538 0.077 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1835674753 LTQWDQOLHPZMSB-JOCHJYFZSA-N 429.521 0.362 30 20 ICED O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1835781686 JDSLVKHRHWLWGZ-YQCVNYCESA-N 429.521 0.406 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974055 XPACSBPPVXCUPG-UZLBHIALSA-N 440.928 0.566 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837308950 FFQTXGNCJPBHNC-OFNKIYASSA-N 434.581 0.459 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837396716 IXPIPEXVVDWLNB-YYDVJCTNSA-N 432.517 0.750 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1837405586 WCPFODBSTBCLLJ-OPAMFIHVSA-N 440.537 0.605 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837441065 PIMAUAVBZODXLN-XZEIMLRBSA-N 446.508 0.154 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837441242 XYLNSVYENCSNFT-CNSRZQHFSA-N 435.550 0.993 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559787 HOKIWOMICYSHBJ-HPARJBSBSA-N 449.504 0.887 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838192061 DYJNDDSBWRCYJO-VGOFRKELSA-N 432.521 0.809 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1839064042 MQLBPLNDKRKVDB-PGRDOPGGSA-N 435.569 0.066 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(Br)CC3)CCO2)C1 1839207129 KMISVAFLKCHMCE-RDTXWAMCSA-N 445.354 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(C)c1)CCO2 1839307781 ZIERYTGGXQARNE-FUMRIQNTSA-N 443.500 0.629 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3C(F)(F)F)C2)C1 1840042620 FMNPBLBQFOZVEE-SFHVURJKSA-N 441.362 0.258 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1840042945 YBIAYWIQOADYEF-JOCHJYFZSA-N 439.424 0.098 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840178493 KJVAXHCXSIZWMY-PKTZIBPZSA-N 444.484 0.110 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1840712517 LXHOSBRUGHBZKU-VPKVUBIPSA-N 442.472 0.492 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840868485 XAJWHBTUIUBQGQ-NRFANRHFSA-N 436.509 0.613 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843858914 XAIOTMGSVOBVBP-INIZCTEOSA-N 448.520 0.949 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)c1ccc(O)cc1 1844298016 SMULYIDZDRPBMQ-UGKGYDQZSA-N 441.528 0.743 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c(C#N)c1 1845139695 UPKGSFYXPZPCPS-SFHVURJKSA-N 431.514 0.890 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C[C@@H]2C1 1846196922 CXEYNBHOJGIBAX-IVZQSRNASA-N 431.489 0.925 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1847069085 KYOYDHZAYFVBIK-INIZCTEOSA-N 443.504 0.363 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 10780398 LASSBGNYXICLDU-CQSZACIVSA-N 431.470 0.875 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 110920900 BMJBZRWJOSDOAP-UHFFFAOYSA-N 448.526 0.281 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O 440260295 MYRFLXIGRKQIQI-SFHVURJKSA-N 427.505 0.572 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1F 441588090 IZWAMXFXGIGTLX-KRWDZBQOSA-N 425.420 0.355 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cc1 441947968 KVZXCOZJZVXDDG-QGZVFWFLSA-N 439.537 0.874 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 462096576 KAELNTVESSQJMX-CQSZACIVSA-N 446.514 1.465 30 20 ICED COCCN(CCS(=O)(=O)c1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 478422631 SJFZADYRRZCDRG-UHFFFAOYSA-N 449.533 0.985 30 20 ICED C=C(C)Cn1c(SCC(=O)N2CCN(S(N)(=O)=O)CC2)nnc1-c1ccco1 481532178 BHPSSZYXNHFKRK-UHFFFAOYSA-N 426.524 0.554 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCCC(=O)OC 482554867 NFIJEWTXDXZXQH-UHFFFAOYSA-N 444.538 0.825 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 483217167 ADUZUDBKXMHIGY-ZDUSSCGKSA-N 431.536 0.323 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 486610252 GLGLVOBQYTZVEQ-OAHLLOKOSA-N 431.536 0.628 30 20 ICED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 488144006 KJFLUXYXKCYIKX-CYBMUJFWSA-N 426.495 0.072 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 498685211 ICDCAESLYCCZEQ-INIZCTEOSA-N 428.489 0.491 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(N)nc(C#N)c2C#N)c1 505429895 VJLYUCBMXFTIOF-UHFFFAOYSA-N 431.478 0.886 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 506753650 KVXMUCKSLSDQSG-VXGBXAGGSA-N 430.433 0.932 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H]1C(=O)OC 511317347 YTIKVJIAHZRNJQ-DOTOQJQBSA-N 437.474 0.132 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 520508681 OKEZGHWHQMZJCR-SJORKVTESA-N 446.504 0.574 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 521103031 SWLOFRQRZYCQMK-SFTDATJTSA-N 446.511 0.930 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 522031184 XJPVYFLIQXXUMP-FQEVSTJZSA-N 446.511 0.828 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOCC 523743700 DVHWEZZTZDWLDP-UHFFFAOYSA-N 428.470 0.660 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCc1ccccn1 523859469 PZZXFRLFKNVOKA-UHFFFAOYSA-N 440.550 0.875 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533357049 NRJIICDOIJLAOY-OAQYLSRUSA-N 428.493 0.433 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 538236006 BQXHBMYSVXAVAO-UHFFFAOYSA-N 430.505 0.583 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 538589801 ANEVAJUSHORSSY-MRXNPFEDSA-N 430.461 0.211 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 557591665 FQQLYZDNDWJGRU-CVEARBPZSA-N 442.563 0.635 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)cc1 561931333 OCXNTYCCSGJNDU-INIZCTEOSA-N 431.522 0.858 30 20 ICED COc1nc(N2CCN(C(=O)C(=O)NCCCCC#N)CC2)ncc1Br 567534196 KWWLTOREFPEZMO-UHFFFAOYSA-N 425.287 0.706 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 572928532 NCHLOPWKRQTQCH-UHFFFAOYSA-N 429.868 0.441 30 20 ICED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 573756818 KZCWDJHOYXDSCK-YOEHRIQHSA-N 427.505 0.537 30 20 ICED COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1NS(C)(=O)=O 589279337 NXSYVAXMNWBNTE-UHFFFAOYSA-N 438.487 0.855 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCC 590909455 STAHMJPSCRFDGH-UHFFFAOYSA-N 427.482 0.862 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)C1=O 605102269 BYJDPZMQACJXST-OAHLLOKOSA-N 428.445 0.910 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 609538473 LJAZEUFZNHVAKX-FQEVSTJZSA-N 433.578 0.685 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725768836 OHVQHKMTNZLTEB-HXUWFJFHSA-N 448.549 0.487 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccn2)c1=O 726182375 RTZFUFIRTRNUMK-UHFFFAOYSA-N 448.552 0.680 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NCc1ccccc1 729382269 VDQNTUXIUKHGOI-CQSZACIVSA-N 444.469 0.794 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 734226092 SPLWGKDSHFOWRD-ZOAKPAGHSA-N 449.533 0.563 30 20 ICED COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737305092 NDSNYGLNLNYYKA-QZMYASAMSA-N 440.522 0.342 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 758049643 JNVJYEXZJMSKBY-GOEBONIOSA-N 425.510 0.915 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3cccnc23)c1=O 758052133 BHRYXEXUVAQALX-UHFFFAOYSA-N 432.505 0.747 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 761038186 UITISMPOIUTJHO-UHFFFAOYSA-N 435.550 0.096 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766053747 VRRJMGYTQGKYBC-UHFFFAOYSA-N 443.441 0.941 30 20 ICED COCCCS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 770254079 XCHYMFRRZXYBJN-MRXNPFEDSA-N 447.517 0.496 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(NC(=O)NC(C)C)cc1 771891255 KQGYVPAFAIEUBE-UHFFFAOYSA-N 436.494 0.316 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCS(C)(=O)=O)c2=O)cn1 772318913 WMNHXZQYZRQARC-UHFFFAOYSA-N 448.570 0.760 30 20 ICED Cc1nc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 784739891 CELVNXPXKPPPLM-JLPGSUDCSA-N 433.494 0.223 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)cc1 785339976 NNHBDRJMHFGGNL-SUNMQZQPSA-N 448.501 0.746 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 785529805 YHGDTBWCHDAWRU-RTWAWAEBSA-N 428.533 0.621 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 789326644 YDNMBOXBSBLZHR-UHFFFAOYSA-N 445.545 0.998 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C#N)nc3)CC1)OCC(=O)N2 805092741 WKEZUTNRVURGQZ-UHFFFAOYSA-N 429.458 0.804 30 20 ICED CCOC1CC(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)(N2CCOCC2)C1 809502098 CQFQRZCZTPGPDB-UHFFFAOYSA-N 430.505 0.569 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)n1 811471452 CACGYEBLFITJBS-UHFFFAOYSA-N 432.502 0.672 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CCCC#N 812618997 VPOMOMKSMDFLPI-UHFFFAOYSA-N 425.463 0.892 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C1CCC1 814254325 VTOMEXMCNCWVOA-UHFFFAOYSA-N 448.346 0.936 30 20 ICED O=C1NCCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1Cc1ccccc1 818131055 CURXIDJECPVNAZ-QGZVFWFLSA-N 426.498 0.685 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 915069667 YBERALYVWWISCU-HXUWFJFHSA-N 426.454 0.905 30 20 ICED COCC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916710055 AOTHHZLTHSJIQM-FXBPSFAMSA-N 437.522 0.822 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1C#N 918757003 GKRLWYAYGZKNTQ-HXUWFJFHSA-N 427.440 0.978 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1442879728 NLQJEKZTOKTCQY-LJQANCHMSA-N 437.475 0.949 30 20 ICED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCOC1 1504055471 MVVIURLJDIBFCY-VKJFTORMSA-N 442.542 0.012 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCNC(=O)C2CC2)c1 1505313895 KURHANQCMZDVMG-UHFFFAOYSA-N 437.504 0.814 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1617715796 WSAWKBLAWIQPJO-UHFFFAOYSA-N 448.549 0.829 30 20 ICED COc1cccc([C@@H]2[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC(=O)N2C2CC2)c1 1630030882 ZXPAVWDYWICBPL-PKOBYXMFSA-N 437.456 0.698 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1712880764 PCBCEJSOZSHEAV-OAHLLOKOSA-N 430.490 0.100 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1726449113 NJWQGULHUGBQCG-ZHRRBRCNSA-N 439.520 0.462 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1728784886 VABZULOEHUNILD-SFHVURJKSA-N 426.543 0.609 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1729718827 SXRUMLDUILWEBJ-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751049710 PDVLFOWVUYUUHG-GDBMZVCRSA-N 425.559 0.490 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779018768 GGEOPKUEJKOWHG-DUYDGHCJSA-N 446.508 0.014 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781240281 FHPUEHQAEYZTMG-CKJXQJPGSA-N 438.525 0.420 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1782781708 ZMKPCPVIZQUBKW-JOCHJYFZSA-N 428.489 0.835 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)CCO2 1783054108 AGLWMHDAAYNPEE-GREBRCKQSA-N 441.484 0.222 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557621 ITKXCGJPYWNLDI-WJONJSRFSA-N 449.504 0.598 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1785377515 JUGFHJSXKDWMCH-QFIPXVFZSA-N 444.557 0.816 30 20 ICED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)n1 1785876554 VEFJVXQNFOBNOU-QRTARXTBSA-N 434.460 0.470 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658360 JZMJMNORCMXXKU-QRINSMNESA-N 448.524 0.423 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788726450 YLRQJRAVCRSCLH-QRINSMNESA-N 448.524 0.423 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270647 RPAJJCLEICETAB-VMXMFDLUSA-N 442.516 0.611 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)n1cnnn1 1791684923 GFOMGGUUKIGXDH-XIVBQZFQSA-N 442.907 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792718178 YMVVGZSMTKEJLV-MJWLUZIOSA-N 443.500 0.177 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792884490 CZCXWXQFRJHSTG-IVSAIRAKSA-N 443.566 0.381 30 20 ICED 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 1793087411 CWNDODOAYFPASC-UXXRCYHCSA-N 431.555 0.170 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793385343 LFJMIHOYPRJPQY-HCZIRCDUSA-N 431.555 0.374 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccs2)c1 1794119533 QJNIAVGBNURWQT-ZSBFGKGUSA-N 427.486 0.581 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1797741844 CXYFFXRUNVIEIU-DLUMSKLASA-N 425.493 0.404 30 20 ICED 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 1799284811 TWVZJCUEYSAHET-SIRPWMCASA-N 438.525 0.180 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)cc1C#N 1800527434 HWUQGUMUEWCSDD-UGNRZPKXSA-N 440.500 0.685 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2)C(F)(F)F 1800550162 XAVSJXWSPURFBL-MUJYYYPQSA-N 430.471 0.475 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1802487355 HTAXWIWKJINBKL-MARJLNQVSA-N 436.472 0.755 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1803556386 HVAAWYXDLKUQEF-UWJYYQICSA-N 443.504 0.622 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1804774875 YWDCQLMTMKEQRQ-FPWSIBOVSA-N 435.484 0.893 30 20 ICED CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1)C(=O)O 1809833881 MEPSUEBOMOACNP-WIEJPEFJSA-N 438.525 0.809 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810351085 VRKMRRLSZXIGAW-QQKQFIJSSA-N 448.523 0.790 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812641900 XQHZIPQLAHEMAX-AOIWGVFYSA-N 426.521 0.505 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)[C@@H]1c1cccnc1 1812877469 JGZXBLLADRAKNN-KCXPTXFHSA-N 438.484 0.576 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879466 GGKLUFKFSBDAEI-HNAYVOBHSA-N 430.461 0.700 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2NC(=O)C3=O)n[nH]1 1819196245 JBJZPAWUUUULQQ-CQSZACIVSA-N 435.396 0.938 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)c1ccccc1 1830409353 VWUZIQNOQGQSCJ-WIYYLYMNSA-N 430.461 0.454 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831398382 AJYWHDUZWLMSMQ-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1831425240 ATNBAEPEDDZLMG-CSODHUTKSA-N 425.526 0.339 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(C)noc1C)CCO2 1832551332 JRAQZTUOVTWROW-LXHZQTKUSA-N 446.504 0.149 30 20 ICED CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833098551 SFBFQIINQJNZKA-OHQZHEALSA-N 448.612 0.944 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1833466812 SAGAWZOWPILVSY-KRWDZBQOSA-N 443.548 0.725 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833874783 YHSXILFPBYDCRS-HRAATJIYSA-N 434.493 0.256 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344769 SYGKQUQLLBCHCZ-QHCPKHFHSA-N 440.500 0.776 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835713141 HWCVBLGBDKCSMM-SFHVURJKSA-N 431.537 0.941 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835831256 ZHSCJYLOWUTNGE-HIQXPHMNSA-N 443.548 0.961 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836483370 AGXOVQQKSNUVGY-UTKZUKDTSA-N 447.467 0.214 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1836843297 HVWCXVUQSJMJRE-HNNXBMFYSA-N 428.555 0.617 30 20 ICED CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1837268848 QXNYMQXYDPYKGK-YAECTWJJSA-N 429.473 0.944 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1837399436 TUKSVNLJXXTHFD-SVMVAKDDSA-N 440.537 0.604 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1837404977 FYEWDLSBFBEVON-CVDCTZTESA-N 437.581 0.748 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486306 AEWVRZHFXWSEIN-FDDCHVKYSA-N 449.548 0.056 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838686624 BGDIPHYZOULNMR-JOCHJYFZSA-N 439.472 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1OC)CCO2 1838874737 ZFESQZUDCMANHI-UFTUAFODSA-N 443.500 0.624 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)cc1 1838951510 TVJFSKYTQAPTCQ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839222467 OETGZXWIKVRZJJ-UGKGYDQZSA-N 438.569 0.976 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1C 1839404438 WUAMHAZLRUKOJM-JOCHJYFZSA-N 443.456 0.111 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1839419720 RSMXWLJGDNNBAC-OAQYLSRUSA-N 446.435 0.220 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccn(C)n4)C3)C2)c1 1839452333 WDAZQYYJYCBXTD-HSZRJFAPSA-N 437.500 0.913 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCOC5)C4)C3)c2c1 1839489518 ZTQNFSXDOHKGCM-ZHRRBRCNSA-N 439.472 0.541 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1839811958 YTRHGUHDYIVODE-FSTVOOFJSA-N 433.505 0.474 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1)C(F)(F)F 1839892669 ALHUOTXZOFQLLV-OAFZBRQQSA-N 431.455 0.902 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CCC1)CCO2 1840115367 WQCGBFMPRWHDFT-QFIPXVFZSA-N 426.469 0.653 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840199789 LOHOVEMTOXTCOW-SIKLNZKXSA-N 447.557 0.937 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840253442 LZUAUWPZBQUGEL-HSZRJFAPSA-N 443.500 0.972 30 20 ICED COc1cc(Cl)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840743469 XIPXWZVSLCSIJF-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)CCO2 1840962074 GOFVCYYXSQAZFW-HOIFWPIMSA-N 435.521 0.722 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1841582108 HTGDZAQILSUIDV-HNNXBMFYSA-N 448.545 0.641 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)c1 29446045 SNPDPYARNXMHKV-OALUTQOASA-N 447.561 0.270 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 427805511 PIRORMMWGUWAGV-NVXWUHKLSA-N 433.534 0.829 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](CO)c3ccccc32)CC1 433294444 LZVQZSKLTWMFJT-SFHVURJKSA-N 440.525 0.987 30 20 ICED CCOC(=O)[C@]1(COC)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 439487586 UNFMNCVZLOMGDO-OAQYLSRUSA-N 433.509 0.795 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc2c(c1)OCO2 440376999 RXQSLNKSFBUSSS-UHFFFAOYSA-N 446.444 0.898 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 464857414 SNBKADFPECUVQW-SJLPKXTDSA-N 446.577 0.817 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H]2CCCO2)cc1 471298908 WGUIDPMDJCVMMN-IAGOWNOFSA-N 434.518 0.452 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)s3)CC2)c1C#N 471697734 QGJYXPIMKVCJRS-UHFFFAOYSA-N 436.563 0.716 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CC(O)(CC#N)C3)cc(-c3ccc4c(c3)OCO4)nc21 476816471 BYYSQSAMTCWVNJ-UHFFFAOYSA-N 435.396 0.530 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 478847851 KHRUKIORWQJYRG-LBPRGKRZSA-N 428.495 0.901 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1F 489108192 MWBHSPYOLVGOCI-UHFFFAOYSA-N 438.525 0.937 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 491077143 FWELVHMBUXXGIT-SJORKVTESA-N 436.538 0.777 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n(C)c1=O 501742768 AKDBEPQPBWBPFF-UHFFFAOYSA-N 449.471 0.183 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)cc(C)c1 502042139 JYSIUDVUVQHCFM-UHFFFAOYSA-N 437.525 0.515 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 503672811 IQSGPGAINHIECC-AWEZNQCLSA-N 430.494 0.450 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 509955002 WIFPZOLQRKBGEH-OAHLLOKOSA-N 437.522 0.671 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN1Cc1ccccc1 511754708 PXSPPCBTACLYOX-GUDVDZBRSA-N 430.530 0.259 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c2ccccc2)c1=O 512762568 TUSUBBBFRLSTHB-OAHLLOKOSA-N 437.525 0.770 30 20 ICED CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516222727 DUGFSFJDVHLZIJ-CQSZACIVSA-N 425.536 0.181 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 550879071 PVYRZGSWSYQSMH-UHFFFAOYSA-N 428.581 0.591 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)CC2)c1C#N 556253764 SIBQYDBLCFPUOX-UHFFFAOYSA-N 446.515 0.810 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 557475075 XMLNMWXPODYXBX-ZDUSSCGKSA-N 432.458 0.911 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 561980583 ZDYFNRSCKBAPLM-OAHLLOKOSA-N 425.507 0.862 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 565060493 SYMVVZRVRFHFOO-KURKYZTESA-N 431.514 0.967 30 20 ICED CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1Cc1ccccc1 565132942 NXWZYHSXRVEPSK-NRFANRHFSA-N 443.511 1.522 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 565281569 VOSKOOVLSNJUGR-UHFFFAOYSA-N 438.553 0.549 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1Cc1ccon1 567549610 PSPKBYKHFQYRJI-UHFFFAOYSA-N 443.847 0.859 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 569749917 PZOMDUKXLXTWHI-SFHVURJKSA-N 427.486 0.539 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2=O)cc1 588866130 BQWGACLBEMTAGB-UXHICEINSA-N 439.516 0.493 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cn2)cc1 615417155 DPEUZALWIUNSRT-UHFFFAOYSA-N 432.400 0.458 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc2c(c1)OCCO2 619538551 IVXAAZRLOPXOTE-UHFFFAOYSA-N 425.491 0.981 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763306 GRYRNZBUKYPCFP-UHFFFAOYSA-N 429.546 0.679 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 733148957 QZIFPSXXALEBQB-QGZVFWFLSA-N 426.546 0.944 30 20 ICED C[C@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 733306100 MGTRUJVKMYRZHN-WMLDXEAASA-N 432.502 0.989 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[S@@](C)=O)c1 737293531 MYZJDKYAQOSVCU-RSNIYIGMSA-N 442.563 0.713 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 749313947 WUJVZJYOKYBFKU-HNNXBMFYSA-N 430.527 0.951 30 20 ICED CCS(=O)(=O)NCCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 753326243 ASJQJKWOIXURCC-UHFFFAOYSA-N 443.547 0.832 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CNC(=O)c1ccccc1I 753466754 HYHWCARPKCGTNR-UHFFFAOYSA-N 436.271 0.738 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2csnc2C(=O)OC)c1 755966899 TYLNECCTEYPEHQ-UHFFFAOYSA-N 449.510 0.965 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 756305249 RYZYYLVTGLAZHF-UHFFFAOYSA-N 438.502 0.501 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758089469 LQUDYXSRHCIYRT-UHFFFAOYSA-N 425.510 0.980 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc3ccccc3s2)c1=O 758593756 JOFKETNDMAGKQV-UHFFFAOYSA-N 430.536 0.700 30 20 ICED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 761031285 PTFPZNNMDGSYTQ-HNNXBMFYSA-N 432.340 0.274 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccn(C)n2)cc1 761073998 PAUCVGFININDPP-QJOMJCCJSA-N 432.506 0.530 30 20 ICED C[C@@H](CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 769214573 ZWWJYMXMZVKFFO-HIFPTAJRSA-N 435.506 0.374 30 20 ICED N#C[C@H](C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1nc2ccccc2s1 772747921 XQKBPWYZKBQVNA-CQSZACIVSA-N 439.497 0.766 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 783473540 CSFDDQXVJUQWJB-SFHVURJKSA-N 431.514 0.900 30 20 ICED N#CCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 787352328 OKNFRAYRHRWJRD-UHFFFAOYSA-N 427.870 0.600 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@](N)(c2ccccc2OCC)C(F)(F)F)CC1 787995550 LJKJYIBUCPDTEJ-IBGZPJMESA-N 426.439 0.695 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccn4)n3)CC2)c1C#N 788338041 FYFMZTDJRZUZES-UHFFFAOYSA-N 433.476 0.527 30 20 ICED N#CC[C@H](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 793102486 DTAOSCMMWVFUQX-MSOLQXFVSA-N 439.559 0.735 30 20 ICED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)s1 794623156 KGRIDBDVKDFJCW-GFCCVEGCSA-N 446.554 0.474 30 20 ICED Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808237618 YXTIFACXTBEYAQ-MOPGFXCFSA-N 434.500 0.915 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccc(C#N)cn2)cc1C 813708970 BWGGWLSWDBYZHQ-GOSISDBHSA-N 429.502 0.799 30 20 ICED N#Cc1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cnc1C(F)(F)F 815476680 GVYNCBKXYIVMCC-SNVBAGLBSA-N 434.352 0.142 30 20 ICED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1cccc(OCC#N)c1 815783064 GLPNSQVPMOFKBV-UHFFFAOYSA-N 432.458 0.712 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1=O 914569207 IKYOXHZOFXIDSU-UHFFFAOYSA-N 429.452 0.098 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnn(C)c1 916821311 INAWIYTWTDROLT-AWEZNQCLSA-N 439.519 0.523 30 20 ICED COCC(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 918598086 ZLBFDCSYZFUQLP-INIZCTEOSA-N 436.534 0.457 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1303405609 WVDQIIMFWLMCPA-GDBMZVCRSA-N 435.554 0.028 30 20 ICED COc1ccc(N2C[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1472597928 WNRUPBRUGIQNCQ-HNNXBMFYSA-N 428.470 0.767 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1C 1492274019 SAATWJCJKZAXFG-PGRDOPGGSA-N 439.520 0.943 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N(C)C 1516589231 WHNATAPEDMVUOO-UHFFFAOYSA-N 429.529 0.533 30 20 ICED COCCN(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519110434 CSASIVMJFWRUFV-IBGZPJMESA-N 444.584 0.659 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)C(C)(C)C 1541106550 YHZCGZRXSPHLOA-STQMWFEESA-N 434.588 0.697 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541113549 XXWMPTIJNDIHLN-IKGGRYGDSA-N 430.557 0.768 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1723957878 VSKXAZQKGZOQJS-SUNYJGFJSA-N 426.543 0.558 30 20 ICED Cn1cnnc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1729591916 XYMDYQKWHGLGPU-MRXNPFEDSA-N 441.521 0.836 30 20 ICED COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1749337096 IPZZSWOWTSWYRD-PVAVHDDUSA-N 438.554 0.018 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1766726523 XJMONXXIKJUZSH-AWEZNQCLSA-N 434.478 0.342 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1766726524 XJMONXXIKJUZSH-CQSZACIVSA-N 434.478 0.342 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778234834 KCUFDZSXWDZFLH-VFNWGFHPSA-N 435.477 0.161 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778597583 FXDYOCIFSPPDHD-UZQCKINESA-N 435.484 0.932 30 20 ICED Cn1c(=O)n(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)c2ccccc21 1778783594 MGSIBWDOHFFSOQ-XMSQKQJNSA-N 425.489 0.768 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779017286 JWGCNHWWQNVIRJ-XWRADEMYSA-N 441.492 0.350 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102966 KWLUZIITUNZMPB-MHTGZXFVSA-N 445.476 0.379 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1779105409 UOFLEBVVXSJCIC-GONAZFFLSA-N 439.900 0.895 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396474 KGBLWIZPCREATG-WIYYLYMNSA-N 429.521 0.641 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168191 FTSINDFNIYSWAQ-OYHNWAKOSA-N 428.489 0.925 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780410390 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C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CC[C@@H]4C)[C@H]2C1 1787949699 UQCPUNLUHFAXSM-FTWTYHFBSA-N 441.532 0.911 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3cnccn3)[C@H]2C1 1788628100 UCMCABOLJGQYCW-ATIWLJMLSA-N 431.537 0.830 30 20 ICED CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790562972 NPJVABMAKYOVMI-IKPGRXKRSA-N 440.500 0.957 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1790829537 LIQCRSOILQWBDF-BVBHFADKSA-N 441.594 0.850 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)no1 1792141170 RWESBZSUFZLXPU-ZOBUZTSGSA-N 429.477 0.386 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H]3CCC(=O)NC3)c2c1 1792581914 JTOZICBRRCLSQT-BKEDOTJMSA-N 436.472 0.164 30 20 ICED CCC(=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 1793249784 WZIWXNIPXHVPST-NYYTWLDWSA-N 428.489 0.685 30 20 ICED 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CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905771 LTHWVUNLRCWVEV-WZONZLPQSA-N 428.533 0.897 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)CCC1 1833034457 BQSAHIGZTNUYJM-OAQYLSRUSA-N 446.529 0.628 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1833333945 OWICFWVPAHOHOI-QFIPXVFZSA-N 426.473 0.523 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833358434 BURSUOCKRKPPEM-VGSWGCGISA-N 432.521 0.809 30 20 ICED COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834433046 RDQWLBBGQQHBNE-UHFFFAOYSA-N 435.569 0.793 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834733767 GXXDJSGBADFXMZ-SJLPKXTDSA-N 427.615 0.105 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1835053953 HEPFJHXGXPCYPN-IAGOWNOFSA-N 427.615 0.959 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)ccn1 1835358935 NMVLQCLRYQEIAA-OAQYLSRUSA-N 430.461 0.632 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835704093 KLFWLEIFTMONTI-DLBZAZTESA-N 435.569 0.304 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835704559 VSVRJPZNZPFBBJ-DLBZAZTESA-N 437.585 0.857 30 20 ICED C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835753257 GCXPHTUNJNDTMS-GOSISDBHSA-N 432.565 0.391 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(CO)o3)CC2)CC1 1835926344 XXKAUJBYQXRINQ-WAYWQWQTSA-N 444.532 0.816 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1836026795 KFIAIBLHLPGOOA-JOCHJYFZSA-N 439.472 0.871 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808665 NQQAPINGPVZSAZ-UZLBHIALSA-N 433.534 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837447408 NFSOLNLUMQWVKA-IBUSPFOHSA-N 444.536 0.337 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837490846 RTEVVZGWODVGFJ-HSZRJFAPSA-N 445.491 0.989 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837567376 HPXBIEPXPNZJQO-URUMQQEASA-N 433.505 0.706 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccccc1 1837616723 MQBOZFYZTVWJLQ-ZCVJKFOLSA-N 441.528 0.775 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838907426 SABYJDPWQIEEEK-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839223479 WSXJAWZGONTFJC-LAUBAEHRSA-N 434.493 0.718 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839223742 HBULHFHMODLTSB-SFGWALBWSA-N 433.505 0.977 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3F)CCO2)C1 1839290623 XJCWFBNUPNVKKZ-KSFYIVLOSA-N 434.464 0.943 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1 1839362277 JDMBZFVMMLQHOQ-GCJKJVERSA-N 426.473 0.101 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488467 UGPYSBYGGCPDTP-QFIPXVFZSA-N 449.471 0.850 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839718871 SAWWZRREVRQWTI-OAQYLSRUSA-N 446.460 0.016 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840442481 FZVLYKASBBUXEX-UTKZUKDTSA-N 434.493 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cc3OC)CCO2)C1 1840639571 ZJTNEEBBMVYMFB-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840840286 JSZYTKOFXMGGPI-QFIPXVFZSA-N 431.558 0.976 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC=C)C2)C1 1840908268 HMIIGLYDCIXNHN-JTSKRJEESA-N 435.521 0.936 30 20 ICED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840928969 SNNKISGLFNQNLJ-JECJHWOISA-N 449.596 0.646 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC(N)=O)C1 1843340309 PZEBTZDOYSEPHD-HUUCEWRRSA-N 435.525 0.553 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845131393 XWRKQZICFJMZSY-INIZCTEOSA-N 431.489 0.975 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138955 LRGRDHNIVRVKMS-SFHVURJKSA-N 430.461 0.377 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582810 SJOQDLGJDBXNSJ-FQEVSTJZSA-N 425.445 0.867 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCO1 409528115 JCTLBAYQZCGZLO-ZDUSSCGKSA-N 434.927 0.115 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC1 430055409 SAWXNJKECUPIJS-UHFFFAOYSA-N 428.468 0.455 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@H]1CCOC1 441937327 RIAHMSMFAPCNSB-QGZVFWFLSA-N 441.553 0.829 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C(F)(F)F)c1 443472315 HCZVPRIMZXVAPX-UHFFFAOYSA-N 426.442 0.172 30 20 ICED N#Cc1ccc(=NCC(=O)NC[C@@H](NC(=O)CN=c2ccc(C#N)c[nH]2)C2CCCC2)[nH]c1 444407715 FHGYHZSBAYTDAW-LJQANCHMSA-N 446.515 0.379 30 20 ICED CC[C@H](C#N)NC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 464102927 VNUGHPSIDWJPHY-SJLPKXTDSA-N 436.534 0.880 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 465414993 HGKHUNQKRZXYFG-HNNXBMFYSA-N 431.460 0.664 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475275940 RRTKPFOMSYHKMT-UHFFFAOYSA-N 425.507 0.791 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 476989452 XGBRTXGQMFUQRM-UHFFFAOYSA-N 430.534 0.742 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 481156663 SJENQDZNYUQFBM-WMLDXEAASA-N 444.517 0.753 30 20 ICED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCN3C(=O)C(=O)NC[C@H]3C1)CCCC2 485425762 JBRPJWCBSHNNSL-KRWDZBQOSA-N 446.511 0.809 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 488991781 YOMOTWSIOIDSPG-ZFWWWQNUSA-N 441.534 0.988 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)n1 490205349 WYLWIHHBCRSCTG-UHFFFAOYSA-N 447.459 0.284 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)CC1 491227159 ZKLDWSVRGKGUEE-GOSISDBHSA-N 444.532 0.938 30 20 ICED COCCCNC(=O)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502195487 NKEXUSIBYVAQIA-UHFFFAOYSA-N 444.492 0.539 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 505699691 JZGCIUSLMGPXOJ-LSDHHAIUSA-N 428.514 0.239 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 507501143 MEXRFYXLRFEVSK-NEPJUHHUSA-N 444.560 0.658 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508741489 XEJQWNMRKUQYRZ-UHFFFAOYSA-N 431.478 0.662 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 511409855 GVCIGAXNXNVXIR-UHFFFAOYSA-N 425.536 0.702 30 20 ICED C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512197520 QYMQHNGTJBDJDH-UYAOXDASSA-N 445.589 0.950 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 525686742 SFBMKNXSRXSXBB-UHFFFAOYSA-N 438.509 0.608 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 530317832 RDXCNEDYOBCAHS-GFCCVEGCSA-N 433.436 0.172 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)n(CCC#N)n1 533457503 ULQWTCIBSPWECW-UHFFFAOYSA-N 444.517 0.967 30 20 ICED CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 538391143 LRNXVWHHGKFGLT-FXAWDEMLSA-N 433.578 0.930 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCCN3CC3CCC3)CC2)cc1 547781415 WPEPJZNGABSSMO-FQEVSTJZSA-N 432.546 0.892 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548289956 BWBJLESGEDZEOF-HNNXBMFYSA-N 446.550 0.832 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 553266937 AGHAXVBEUSCHNS-QZTJIDSGSA-N 441.488 0.859 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 555847845 ZECBNPFKVJBBDH-UHFFFAOYSA-N 444.429 0.333 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1F 559986359 KJOULLGNKXCWPO-HNNXBMFYSA-N 436.407 0.995 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)c1C#N 568146893 DGEOABVWNSNJNI-UHFFFAOYSA-N 441.517 0.842 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 574362690 KEHKDUHMDLELBU-HNNXBMFYSA-N 437.522 0.673 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)CC1 578972247 GZEWAYWDMWITHL-MRXNPFEDSA-N 430.505 0.299 30 20 ICED COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 589393463 NFXRURGWBFTHIF-UHFFFAOYSA-N 433.428 0.632 30 20 ICED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)c1C#N 589613959 MCNFJYRCKGDTFH-DJJJIMSYSA-N 431.522 0.875 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604167455 BWMDOADTJPRXAQ-UHFFFAOYSA-N 442.501 0.491 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 607662705 FLUJIVPWJFVIKZ-UHFFFAOYSA-N 433.490 0.459 30 20 ICED C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610424012 QSLGRFCKNBGNIK-IDAWXYBZSA-N 439.472 0.623 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)s1 610425277 XIYWZOHWFYBQTF-MRXNPFEDSA-N 441.579 0.355 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)cc1 615310865 BUBMITHACWDJFB-OAHLLOKOSA-N 429.458 0.964 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2=O)cc1 617036252 QZMDTRHNMBCOSG-GOSISDBHSA-N 445.476 0.945 30 20 ICED Cn1cc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 729975832 WVIHLRBLWQWDOD-UHFFFAOYSA-N 430.534 0.583 30 20 ICED COCCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2S1(=O)=O 731623207 UPDACEAZZZQBJF-QGZVFWFLSA-N 434.518 0.783 30 20 ICED CC(C)(C)NC(=O)CNC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830301 GWYSAKMUINBECA-OAHLLOKOSA-N 443.460 0.337 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)nc1 753166528 GCACJBKGRUSPDB-ISLYRVAYSA-N 428.449 0.273 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[C@H](C#N)C1 754379607 MHJIVQBZQPIESG-ZJPZJRRFSA-N 432.477 0.510 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 758060068 XZQYTSRNGSTKTE-UHFFFAOYSA-N 431.876 0.697 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 766370771 ZUDJWNKYPJMRRS-GICLCMKGSA-N 437.522 0.556 30 20 ICED C=CCOc1cc(OC)ccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 766800858 BNPWLZIWGDBLDA-GFCCVEGCSA-N 426.447 0.430 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 770176242 ANAACJBGFFVEOE-KRWDZBQOSA-N 426.454 0.601 30 20 ICED CCOc1ccc(C(CC)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC 771896835 JQGCRJHLDVSTGI-UHFFFAOYSA-N 438.506 0.974 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCCO3)c2=O)cn1 772328774 HNOIEDONDZNJGP-QGZVFWFLSA-N 439.541 0.901 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 780256851 MSSBBQPLOWAHPW-QGZVFWFLSA-N 425.470 0.667 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782792691 LZEOXUABGJSQLM-AWEZNQCLSA-N 443.500 0.735 30 20 ICED CN(C[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 795655393 SEZPXAYXRLYJEM-GOSISDBHSA-N 433.534 0.883 30 20 ICED CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 798157174 ASHJFXKWFQZADB-KRWDZBQOSA-N 448.501 0.878 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 799798757 YRZDUCFARJJMJF-CHWSQXEVSA-N 444.535 0.632 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCCO1 809259766 YOCAOMBKHZZCCG-IAGOWNOFSA-N 426.498 0.986 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839369176 FHHXLCGOXUQJJL-ZDUSSCGKSA-N 435.575 0.051 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856703530 AMDPEIMKOLSRCG-VBKZILBWSA-N 447.517 0.767 30 20 ICED COc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(N)=O 917254343 RBBDGKBKOLHHDG-UHFFFAOYSA-N 446.485 0.304 30 20 ICED N#Cc1ccc(CSCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 917261793 BUHNPJCVHXZVHX-CQSZACIVSA-N 425.488 0.348 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(N(C)C)CC2)c1 918433190 JWYYNQPSYZGNDB-RELWKKBWSA-N 435.550 0.991 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn(C)c3)c2=O)CC1 920399526 RSARWLRHYIQWHV-UHFFFAOYSA-N 449.540 0.447 30 20 ICED N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 1452695364 XJSODUHOHKQDPM-OAQYLSRUSA-N 439.560 0.820 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1521137621 REBAOINLOAXYOL-MRXNPFEDSA-N 449.508 0.676 30 20 ICED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1615857448 LRDIFOGIULKBGJ-HRAATJIYSA-N 444.561 0.897 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1637451633 USUGDLRHNSZVGQ-DOMZBBRYSA-N 426.520 0.470 30 20 ICED Cc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ncc1C#N 1673976979 RHGCBUKIOPFCSY-UHFFFAOYSA-N 429.506 0.930 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1763110629 UROAARYZVLYDQU-MRXNPFEDSA-N 439.611 0.396 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1765818321 SXNXPACGKKVVTM-LAUBAEHRSA-N 433.557 0.690 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1771534853 QXMNMZNKDLSDQY-MRXNPFEDSA-N 444.517 0.490 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779197869 OLHBLLOABCHRGY-LKUPVBHCSA-N 441.525 0.548 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1781111294 LHSWFEBKFBAXOR-IEGUWTFLSA-N 447.532 0.458 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCC(N)=O)C4)c2c1 1781207088 VSFIPTPDBWWBLK-VGOFRKELSA-N 438.488 0.828 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)ccc1F 1781301248 SRNIGPZHPRPGNF-NRFANRHFSA-N 425.420 0.467 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1Cl 1784117903 MVJPQLQPMDIVTN-OAQYLSRUSA-N 442.859 0.580 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785380516 VSNNZJZXRVXGFJ-OAQYLSRUSA-N 439.476 0.100 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788575559 MMHADVXEAOWYLN-VIQHNZTISA-N 428.551 0.116 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1788655351 CZFVTEPIGQKOIE-DRDXURGPSA-N 446.504 0.969 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680937 AJPRJMVCXZPTID-DQRIUVLUSA-N 435.477 0.294 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c1 1789292892 ULUKKLSCGNHEOF-BJLQDIEVSA-N 435.484 0.868 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789360570 HFTRGSCFZUQELU-ZDEQEGDKSA-N 445.442 0.990 30 20 ICED CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791306636 JNZJCNGMOWAAQO-NZNBXVBBSA-N 426.583 0.552 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1792093917 KAPOEPDNJXBLMO-OWQGQXMQSA-N 447.875 0.980 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)cc1 1792424457 YMVDFQQFHIARIY-UPHUGPLXSA-N 449.467 0.882 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(OC)cccc1OC)C2 1792489805 UYZCMXXFDKOKOQ-JCSJYZNRSA-N 443.500 0.765 30 20 ICED 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 1793078359 GVQFPMJDOJGBEP-CWQOZTLDSA-N 437.537 0.510 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793354824 SVXSWHXFNPODLV-YFKTTZPYSA-N 426.363 0.522 30 20 ICED Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c1 1797818583 STMVINATYFZCSI-RUVFXVMISA-N 433.509 0.871 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 1798359087 XJOMWOQDEYJBDL-NKGKWGDASA-N 448.483 0.720 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c(C#N)c1 1799241409 WGMWWYWWUZOYIX-FCQWJQKHSA-N 440.500 0.225 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)ccc1F 1799325859 VSUKZDGPZMQWPE-XOIINTDNSA-N 442.407 0.775 30 20 ICED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)nn1C 1801989301 BYMHNFIIUYUUHA-FEJSZKPUSA-N 437.500 0.811 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989838 LCUYYAFXEAIPAC-DFYYWFRZSA-N 449.529 0.207 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989886 MESZTZZBJPTTHO-BMQTXXJKSA-N 428.489 0.441 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993014 CRICMJMBKDPGPO-GYPCDKMWSA-N 431.489 0.970 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1802042400 URTTUUZPGZPULZ-DYOREFPFSA-N 437.537 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)C1 1804858013 GDHDUMZUWQKVMU-TUYSUELWSA-N 437.562 0.653 30 20 ICED N#CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1806863187 PGSQEWQOKDFAPP-AUUYWEPGSA-N 442.501 0.856 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807023997 KQKVOGQTGBWFLB-PVAVHDDUSA-N 444.494 0.767 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1807148623 VXAUXWBGQBQGOP-LPHOPBHVSA-N 437.504 0.766 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558924 IZHPDQYLXDDLJZ-XCLNPWKQSA-N 430.505 0.277 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1810567626 SGTCIMIUKQLJNX-YSIASYRMSA-N 438.488 0.752 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955718 NRJQWYLYACLTJS-FDDCHVKYSA-N 442.516 0.436 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1829637637 PQVYYCIOQBHANC-UZUQRXQVSA-N 441.484 0.138 30 20 ICED CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1830001244 XIEFVDUVAWJATB-HSZRJFAPSA-N 449.596 0.457 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1830053436 RPMXTWXEYJOVLX-NRFANRHFSA-N 431.493 0.141 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1830056129 NECAKDGWTMRBAR-JOCHJYFZSA-N 438.488 0.887 30 20 ICED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833144575 HTVINLMSURCLPL-JJIBRWJFSA-N 449.600 0.301 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833195398 DQERZDOAEPUHSM-GCJKJVERSA-N 446.552 0.257 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833199855 YTGOCECGLOYXOU-ZWTIIMOHSA-N 443.504 0.688 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835439065 DEHMUVXXCNUYQF-HSZRJFAPSA-N 435.565 0.934 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835755762 LHLHLKPINPCRJM-IBGZPJMESA-N 448.520 0.357 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5[nH]ncc5c4)CCO3)C2)c1 1836811022 BWAPQZPBZDVWRY-NRFANRHFSA-N 435.444 0.541 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837269253 VVRWBRXTKSIABV-NRFANRHFSA-N 432.525 0.544 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837396330 BCQMBHQRPAQOMD-GCJKJVERSA-N 435.496 0.793 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1837396943 LAGRFYICXPEMDN-NJNPRVFISA-N 432.521 0.111 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1837486516 HKXMXVKWFGIAPW-FQEVSTJZSA-N 434.518 0.307 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837488799 SAOHAKDLRAHYOW-HSZRJFAPSA-N 444.532 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837527397 MKAYUTSZCCVKKS-VBFVGENYSA-N 438.506 0.742 30 20 ICED O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837559671 ATHXGMCDAIRRSX-MHRHTVJOSA-N 429.477 0.511 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837772886 PCNBXLCYKBINEU-YOXWTLATSA-N 448.907 0.663 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487593 CAONCROQOQQQCE-JOCHJYFZSA-N 439.472 0.874 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)c1ccc(O)cc1 1840222060 BMGTYVBCTNZPHF-BOCKYXSRSA-N 430.501 0.726 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840820793 JYVZCQQCSQYBOX-PGRDOPGGSA-N 429.473 0.430 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840853065 CONNKXYTVZZEMW-VFJYRVFXSA-N 448.520 0.460 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c(O)n1 1841959125 RPXWCPAVHLLXHJ-HNNXBMFYSA-N 427.461 0.321 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c(O)n1 1842297590 UPLVXRUAEJOIMO-FQEVSTJZSA-N 430.505 0.373 30 20 ICED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1)NC(=O)OC(C)(C)C 1843085618 WYBMMRRDMBNCIU-HNNXBMFYSA-N 433.513 0.736 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 409579909 YKGZVKIPONWNFC-UHFFFAOYSA-N 448.542 0.629 30 20 ICED C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)N4CCO[C@@H](C#N)C4)CC3)cc2NC1=O 410137770 OJZJDNGBKATFHK-CJNGLKHVSA-N 448.501 0.770 30 20 ICED COc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)N[C@@H]1CCOC1 433839459 ROCKPKQQASEUMW-CQSZACIVSA-N 434.478 1.517 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 437056417 IGLDCBNRFWDGAB-UHFFFAOYSA-N 426.477 1.475 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)ccc1OC(F)(F)F 443335228 ONXTZWSQMQKFLN-UHFFFAOYSA-N 430.383 0.548 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 443857014 SEBDOOGCNPWKAP-JOCBIADPSA-N 433.486 0.594 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 447184029 GEXAZIYAUOTZJT-DFEHZGFQSA-N 429.498 0.688 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)n1 472158658 PXXOYBUIGDJVRE-WOJBJXKFSA-N 440.548 0.527 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1 476278412 RRMBDSHXHMBBKB-SFTDATJTSA-N 426.517 0.999 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 480127007 UNQOVDARHQKQGE-UHFFFAOYSA-N 446.598 0.723 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 481044138 HQRNORTWSWTMQP-ZWKOTPCHSA-N 430.530 0.633 30 20 ICED CC(C)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 488072694 KKPDTKJFSGJICY-LJQANCHMSA-N 433.578 0.663 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 508158889 ICZMNEYHVRLLQU-UHFFFAOYSA-N 436.472 0.887 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2n[nH]c(C)c2C#N)c1OC 508768562 GAOLOHJXPWAZCC-UHFFFAOYSA-N 435.462 0.880 30 20 ICED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512749770 NXKYZHGDSLAPJI-HNNXBMFYSA-N 427.484 0.964 30 20 ICED CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#N 523670528 HISMBBVWRREUBR-MRXNPFEDSA-N 440.547 0.199 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)c1 530780491 VUUAFPNSMGTEQO-HXUWFJFHSA-N 449.467 0.924 30 20 ICED CN(CC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 537717530 WQSZSPLSZBHOOV-KRWDZBQOSA-N 441.469 0.568 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(O)n1 541676403 PGGSFDVSQALARL-UHFFFAOYSA-N 429.458 0.439 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CCC 542002391 VNOQYLDMRNMJGE-UHFFFAOYSA-N 443.525 0.901 30 20 ICED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549302545 QQOVUKWXQNQXIT-UHFFFAOYSA-N 439.520 0.732 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)CC2)c(F)c1 552142006 FPTUPBPWUKVYHI-UHFFFAOYSA-N 447.496 0.565 30 20 ICED N#CCNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 553651410 OUSCWVXJESXNFO-UHFFFAOYSA-N 430.442 0.628 30 20 ICED Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 571092146 JWFWIXPMXRXPIA-AWEZNQCLSA-N 437.503 0.340 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(-n4ccnn4)cc3)CC2)c1C#N 571923924 HMBSYTAPTWSJNX-HNNXBMFYSA-N 447.503 0.707 30 20 ICED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 576791920 MVLPGXSLFYWVDE-PMERELPUSA-N 425.514 0.782 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 578043359 ZYSRPBYUBWEHME-APWZRJJASA-N 439.516 0.491 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 578540676 PJWWJYZXKFKVJQ-UHFFFAOYSA-N 447.446 1.008 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3occc3c2)c1=O 586115515 LYNYFVRXMYSGMI-UHFFFAOYSA-N 436.493 0.526 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC(C#N)C1 590485319 LEKXEJXXSFPRBS-CQSZACIVSA-N 428.308 0.964 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)ccc1OCC(F)(F)F 603712755 QJHDVNLMHIGVHI-UHFFFAOYSA-N 428.367 0.803 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 603796295 DRZSSCHLISEQIM-UHFFFAOYSA-N 446.598 0.641 30 20 ICED CCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 609940025 GPJKSSNDNCQSJU-UHFFFAOYSA-N 430.490 0.326 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 610244894 VSMOWFSBXBFUAA-UHFFFAOYSA-N 442.541 0.172 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610810994 MVCPUQGAIBIKSF-PJFSTRORSA-N 433.490 0.062 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O 726042447 CEHHZMIGEPUNPR-UHFFFAOYSA-N 429.368 0.357 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN(C)C)CC1 728202627 JBBAGESHLVOBPI-KRWDZBQOSA-N 449.577 0.372 30 20 ICED CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C1=O 732907754 CTVATYYQYPIPNO-MRXNPFEDSA-N 431.470 0.662 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)cc1 743983875 DTSPGMGABSOVON-PXLXIMEGSA-N 446.493 0.076 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747742228 QWOULGLVVAGTIR-UHFFFAOYSA-N 447.557 0.628 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 748226917 MJOWFNRRKOUGQR-UHFFFAOYSA-N 432.458 0.380 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 749869194 KQWKNXFYEBZVJN-OAHLLOKOSA-N 441.557 0.725 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ccccc4)n3)C2=O)cc1 753990350 LNFJCPYRULXHKB-GOSISDBHSA-N 429.440 0.995 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cn1 756811178 XDRYAJGTAYHKDF-UHFFFAOYSA-N 429.868 0.781 30 20 ICED O=C(O)Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc2)nn1 759077468 YTJPCPJNYOKSCU-FSNWXROXSA-N 448.457 0.887 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)n(C)c1=O 760940919 WIWUJTZSMGCXBJ-UHFFFAOYSA-N 444.835 0.531 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 761033147 RZQUHSHVIHVVES-MRXNPFEDSA-N 433.534 0.226 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CC[C@@H](O)C1 782055978 HXRDGYRGCPTGCK-GOSISDBHSA-N 442.541 0.998 30 20 ICED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)n1 782140289 ZTEFNWPQQZYVCI-AWEZNQCLSA-N 428.449 0.790 30 20 ICED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782636483 VMMDMCJIPOBZRR-GHOZOMOVSA-N 435.506 0.175 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 790672262 BCHWNZAOZGJXRG-HIFRSBDPSA-N 427.548 0.785 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCOCC(F)F)CC1 791680334 OTWVRLUUCZXBGQ-UHFFFAOYSA-N 445.444 0.606 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCn2cnc(C#N)n2)cn1 795183275 IAXIHDBHFGVBNZ-AWEZNQCLSA-N 427.494 0.667 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)cc2)CC1 801098444 RKKPQBSABOFGHV-UHFFFAOYSA-N 432.458 0.853 30 20 ICED C[C@H](CC(=O)Nc1cccc(C(=O)NC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 802329958 TUWLVQNTMUUBRQ-LLVKDONJSA-N 429.458 0.951 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)Cc3ccccc3)CC2)n1 803138081 BENMJDRXQYASFT-UHFFFAOYSA-N 441.513 0.333 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 805060049 NVESSHHCKZVRDL-UHFFFAOYSA-N 438.576 0.939 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 814571802 AOZIXEPWNZQPEE-UHFFFAOYSA-N 448.487 0.807 30 20 ICED COc1cccc(OCc2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)c1 814775572 ZDZWDNKMTDMXJG-UHFFFAOYSA-N 437.507 0.888 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 899868170 BUBKOQJXKOUJFP-LBPRGKRZSA-N 440.478 0.209 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917768788 MVSFACGAGAFQEW-UHFFFAOYSA-N 447.520 0.795 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)NC2CC2)c1 918267156 SCYOXFKGEOBTDJ-JJIBRWJFSA-N 449.533 0.613 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1296329465 IYWIBXPOYBVXSV-MRXNPFEDSA-N 431.522 0.423 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1323470348 FUBIADQDAKZYBQ-VCBZYWHSSA-N 434.522 0.305 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC2(C#N)CCN(C)CC2)CC1 1326812863 RXGKVPIDBBXZHA-UHFFFAOYSA-N 448.545 0.978 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 1470993999 KJTWEMJGWKASJA-UHFFFAOYSA-N 437.294 0.897 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1510198382 NDSJJZHENRUZEG-JFTQMJAMSA-N 426.543 0.558 30 20 ICED CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1617691243 SWBUOZLNGLPVIM-LJQANCHMSA-N 444.584 0.516 30 20 ICED N#Cc1cc(F)cc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1626925976 ZOJZPVXUSBGRTI-HNNXBMFYSA-N 430.483 0.364 30 20 ICED CCc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1708986614 OFEMSWVGLRSLHU-GXTWGEPZSA-N 439.567 0.879 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2COCCO2)cc1 1712880447 JQJRKUCBFQXJEE-WMZOPIPTSA-N 426.477 0.846 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1722556888 SQIXLRUONPOOFE-GJZGRUSLSA-N 446.961 0.468 30 20 ICED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1726750359 UMEUHULNPPNINX-MRXNPFEDSA-N 446.533 0.989 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779018744 FQEXPSZKKFISQJ-XOBIUNJKSA-N 439.520 0.573 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)ncn1 1779134226 DIKVGNYXZOQCGN-JFOGYLRVSA-N 427.417 0.330 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207052 SMCLTVNHSBGHMT-LLQXBFRMSA-N 429.473 0.320 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780603611 NMYFMLKKNPMILN-DSXMGRQXSA-N 442.516 0.174 30 20 ICED O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1780764981 RUPBYOSTMCDWRR-CXILCQDGSA-N 427.498 0.038 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781015116 HFRHOVYGQGQANY-YVHKJVDXSA-N 435.521 0.864 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnncc2C(=O)O)C3)CCC1 1783125435 PLAMCEPKQGFSLR-IIBYNOLFSA-N 427.461 0.996 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1783199219 QKGDMEMJMBCHAZ-SCLBCKFNSA-N 433.452 0.871 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568320 TWVMFOCXFBWARA-QFIPXVFZSA-N 447.488 0.472 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1785572179 INSOIZIGQMMASW-VLIAUNLRSA-N 449.533 0.898 30 20 ICED 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 1787466928 WJOMSDUKCWMANC-UGUYLWEFSA-N 437.493 0.357 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788575023 RPKSRDNHNNXWBG-XUXIUFHCSA-N 436.427 0.645 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788746697 PUNLTYJHENXFKS-VPAKFMSCSA-N 431.533 0.962 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NC=O)C[C@@H]32)c(C#N)c1 1789843279 CESVLDGLGUEDKU-VTCANLHHSA-N 428.489 0.224 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1)C(=O)O 1790224481 JHYXVYAKZOYRBV-PLYYQAHHSA-N 432.452 0.353 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)c1 1790583761 SEJQNHOLONOCSL-IHPCNDPISA-N 435.484 0.717 30 20 ICED O=C(/C=C/c1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791503849 CSRAVCATRKSURM-QCHBEZIOSA-N 431.493 0.932 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1793357638 STUPEOLBIFOCMU-MPTYRVRUSA-N 446.529 0.859 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1CS(C)(=O)=O)C2 1793562515 JHDGKJYNQPLDSC-NXOAAHMSSA-N 433.530 0.916 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1COc2ccccc2O1 1793840241 GPJJQQKDGRLVPV-MSFCEULQSA-N 442.516 0.888 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)cc1 1796399811 PMMNCCHTGVMQCU-LRSLUSHPSA-N 433.512 0.921 30 20 ICED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796588100 LAZOEUYVXTVMHU-NOCQWTTGSA-N 449.508 0.262 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1799303771 WIZRQZXGWNESJF-UPHUGPLXSA-N 441.484 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802112500 RWUCJQPTRCICRJ-ZRSLWSEBSA-N 427.501 0.433 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1802481541 KMNAKFQVZLHALY-ADWLJLTJSA-N 439.516 0.568 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1803137302 ZFRBPXZUBOFDRS-NVALYEJGSA-N 427.457 0.765 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1803566958 PSSRGMKXKDZOEI-SYYKKAFVSA-N 429.565 0.926 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccnn1)C2 1804373575 FXVUYYCTSBKNBX-YYIAUSFCSA-N 430.509 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1807153640 YQFKGWNQAXIDGQ-IEBWSBKVSA-N 449.577 0.804 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccn3c(O)nnc23)[C@@H]1c1cccnc1 1808194995 UPTKUZRXVIABGM-KDOFPFPSSA-N 434.412 0.238 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284012 JWKRZDGHIRJKGV-UWOBFDRVSA-N 443.552 0.152 30 20 ICED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815211483 KBGJPWCRZKTRKT-FZMZJTMJSA-N 441.452 0.433 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)sc2C1 1817245951 XALROTWZRHQNSR-OXIWPEFWSA-N 449.558 0.896 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819443814 KPPPYOMGQWFLKF-QFBILLFUSA-N 447.540 0.334 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819880086 JIUPGKKIUYKPJN-IIBYNOLFSA-N 440.525 0.757 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825250727 KPJSYYLDOACXRO-WCBMZHEXSA-N 427.433 0.865 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc1 1829630758 AFDMGXPRJBPFPV-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831392205 BZQYHLXFOXBOHN-QVKFZJNVSA-N 435.452 0.338 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831406841 HWERDMCBAWDOED-OAQYLSRUSA-N 435.525 0.912 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831418536 CHKWKBHMOALPIS-MBSDFSHPSA-N 442.516 0.924 30 20 ICED N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1833238493 NGTNTHAINDQTBN-UHFFFAOYSA-N 444.967 0.746 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833509392 HQCSQVYGELWUBT-NRFANRHFSA-N 448.476 0.065 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nc1 1834376809 FIQDOIXLVAPKLW-PIVQEWKSSA-N 446.504 0.989 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835096953 PLWWYJVJTLTUTC-XMMPIXPASA-N 425.529 0.836 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835643098 XIZVQPDVVVZBPL-FUHWJXTLSA-N 444.598 0.577 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1835674021 CTAUOOQGIDCMIQ-HSZRJFAPSA-N 449.596 0.601 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1835753385 MDENZMSIXIMXBG-UHFFFAOYSA-N 429.521 0.953 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccncc3O)CC2)CC1 1835874673 BCQGSBXZECIWAP-ARJAWSKDSA-N 441.532 0.831 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837199724 PJRQXCPGTMPSFI-BTYIYWSLSA-N 444.492 0.829 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440960 JIKGLUGDNMANDF-SGCYSOCQSA-N 429.521 0.932 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2)C(F)(F)F 1837690965 FNZCVRSIKMOLGR-BEFAXECRSA-N 443.422 0.984 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)cc1 1838951216 DHBXHOMFHMCUKR-HSZRJFAPSA-N 446.467 0.985 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186232 HWGTUDUUCQBRKM-QFIPXVFZSA-N 441.463 0.744 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839222814 BOJMSJPPCJHXPU-COXVUDFISA-N 439.431 0.557 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412951 UZNYQHGTTZUWIR-YCRPNKLZSA-N 449.460 0.962 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)C(F)(F)F 1839894734 OFMATJXBIJQWRJ-AWEZNQCLSA-N 447.332 0.240 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2)c1ccc(O)cc1 1840028602 DFILIJLYFYMYDH-LTMIRXACSA-N 430.501 0.726 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1840044749 VFAPDNYMDIVYRN-OAQYLSRUSA-N 445.859 0.979 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCO2 1840115943 NTJRDQPDSIPDCB-JTSKRJEESA-N 437.537 0.873 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840160988 AQPDKJUCYQWWTC-SCLBCKFNSA-N 429.926 0.889 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549736 IKMXZKSQFAJPOZ-XLIONFOSSA-N 428.551 0.646 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824704 VPUOZMWVVBPHSV-PGNNWUFWSA-N 447.448 0.489 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1 10150890 UYAMVZAGWFZDHF-IBGZPJMESA-N 439.465 0.812 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)nc1 115685957 JBCIMRHKQCYRRC-UHFFFAOYSA-N 435.536 0.787 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 426148465 LCMMLNDZZUYKRF-UHFFFAOYSA-N 429.502 0.735 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 430377631 JAZSZBFFXFUJFD-UGKGYDQZSA-N 440.544 0.817 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1=O 440269044 PYNGANMWLKSFBE-MRXNPFEDSA-N 445.501 0.460 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441947152 AKWXIAQVCBCUCG-CVEARBPZSA-N 445.566 0.806 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 446561821 ZHCOPHHTHKSONA-QGZVFWFLSA-N 437.518 0.593 30 20 ICED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 447911651 FGSMXOBCXRQUBI-KSSFIOAISA-N 443.504 0.329 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NCc1ccccc1 465288989 KSWQAZCYPSISFY-MRXNPFEDSA-N 443.533 0.688 30 20 ICED CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472878592 NERFHKCOYVCXJL-UHFFFAOYSA-N 443.895 0.901 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 482413237 MDGOWLSTPMLMFO-CJNGLKHVSA-N 430.490 0.189 30 20 ICED C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 489219358 QHELUSLREJEDQI-UHFFFAOYSA-N 429.520 0.620 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 509387801 LSWNWQMLBBWWGE-BJJXKVORSA-N 437.474 0.178 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038163 RPHKAKKRORXIKS-HNNXBMFYSA-N 425.510 0.511 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 532011979 SAYVILONHJSMCP-UHFFFAOYSA-N 436.896 0.463 30 20 ICED CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 551010386 OZAJZRBLLXWYBU-KRWDZBQOSA-N 444.517 0.952 30 20 ICED CNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 551111387 KTPIANWALDQXIT-LJQANCHMSA-N 433.468 0.451 30 20 ICED CN(CC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 557143802 HXFDQGPYOMBGBT-OAHLLOKOSA-N 434.440 0.558 30 20 ICED CS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 560234812 ZWEBGLRFQRLSBT-AWEZNQCLSA-N 433.465 1.105 30 20 ICED C=CCNC(=O)NC(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 561866688 JAUASZMUNKMWBA-UHFFFAOYSA-N 431.518 0.943 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c1 569413865 ZVFKKVFWDZIBQT-UHFFFAOYSA-N 442.497 0.625 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 574555185 UTWJWKALYKQFFR-UHFFFAOYSA-N 437.456 0.387 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2=O)n1 577149342 BPKZJCFDVOSGTR-CQSZACIVSA-N 433.432 0.123 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccccc3F)C2=O)cc1 579417346 FDHZFVCAYUUORR-KRWDZBQOSA-N 430.461 0.893 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 581960296 RFJFXUNVJHQDIC-SJORKVTESA-N 426.521 0.801 30 20 ICED CN(C)CCC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588868392 LAWHCGMQOYETKK-FQEVSTJZSA-N 425.533 0.966 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 608902153 GSJFKGVUNFYPOH-KRWDZBQOSA-N 428.518 0.990 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)cc1 677708019 MGIFSKQMCURDBK-UHFFFAOYSA-N 447.561 0.253 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@H]2CCCO2)o1 727502382 ACAZDCYZLKHCIY-GFCCVEGCSA-N 449.445 0.532 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C1CCN(C)CC1 732563196 TXWRSDDCFAJNIU-UHFFFAOYSA-N 428.562 0.422 30 20 ICED C[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC[C@H]1CCCO1 734188523 KATJGJVFXCOABA-IAOVAPTHSA-N 428.445 0.990 30 20 ICED COCCOCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737234325 WWNNTUBGPHWBHF-OQKWZONESA-N 440.522 0.607 30 20 ICED Cc1ncsc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 743726507 PUICZVDUZUMTMN-UHFFFAOYSA-N 443.535 0.397 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2scnc2C)c1=O 743728055 GFFSPCBNCRFCFK-UHFFFAOYSA-N 429.571 0.528 30 20 ICED C[C@H](ON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749792369 NLUWDDXUQLILNQ-YJBOKZPZSA-N 438.550 0.190 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 756451827 KBZUQAHLXJEDHU-FVRSWCFKSA-N 425.511 0.561 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc3c(C(N)=O)cnn23)cc1 758001873 BQRLMDGVEZZJJW-LFVJCYFKSA-N 441.473 0.893 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 758078062 XUTLVTXVMZHLEX-UHFFFAOYSA-N 431.876 0.697 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CCOC 758951588 OFNXZHSXVSVDCB-UHFFFAOYSA-N 443.481 0.099 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1 770806049 URBQPBAGHLNWSA-PXLXIMEGSA-N 431.478 0.072 30 20 ICED C#CCN1CCN(C(=O)Cn2c(=O)ccn(Cc3cccc(Br)c3)c2=O)CC1 774652046 XYPXCLVAWNMNJT-UHFFFAOYSA-N 445.317 0.598 30 20 ICED COc1c(F)cc(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1S(N)(=O)=O 782914339 UAPNLKYXVWJLIA-UHFFFAOYSA-N 435.393 0.388 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 783547560 MJEVNERBJMWMMH-UHFFFAOYSA-N 430.548 0.601 30 20 ICED Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)NCCNc1ncccc1C#N)C(F)(F)F 787068280 IZEAZNSJTVZGST-KRWDZBQOSA-N 439.398 0.171 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(=O)c1C#N 791173306 PZLYGFJDBDFFCS-RFHZTLPTSA-N 449.261 0.332 30 20 ICED N#CC[C@@H](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 793102504 DTAOSCMMWVFUQX-ROUUACIJSA-N 439.559 0.735 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)C1=O 799176036 BHUHXFXTHAEDGB-IIBYNOLFSA-N 429.477 0.212 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 804498083 BSIGTLGOZQRMGX-RDJZCZTQSA-N 427.548 0.436 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CCN1Cc1ccccc1 806708415 KPNLFGTYOCYATM-MOPGFXCFSA-N 428.489 0.261 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808959007 SBPRBHHHHCMRAE-UHFFFAOYSA-N 435.433 0.749 30 20 ICED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)Nc1ncccc1O 819803951 RBVZQGXZSNZVEE-RYUDHWBXSA-N 431.474 0.605 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 918166137 ZIWFEDNWALLGQI-XLNRJJMWSA-N 447.517 0.779 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCCS1(=O)=O 1305742083 RSYCDONXZMVNBD-UHFFFAOYSA-N 437.570 0.972 30 20 ICED COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1504853502 CNLMTSXCLILTHW-OAHLLOKOSA-N 427.575 0.597 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1509760106 SIDAOGLYXTVWKG-UHFFFAOYSA-N 434.522 0.734 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1510198391 NDSJJZHENRUZEG-ZZCKCESHSA-N 426.543 0.558 30 20 ICED Cc1nn2cccnc2c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1561108624 XWNDKNQEWFQPGH-UHFFFAOYSA-N 446.514 0.605 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1626675693 PDWIXODKURYUHK-GUYCJALGSA-N 425.532 0.651 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1Br 1661716006 RCUJNTWLDPVBLP-UHFFFAOYSA-N 426.289 0.774 30 20 ICED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1663626825 MNWZDZIESRPSRP-KRWDZBQOSA-N 426.564 0.877 30 20 ICED CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1761567102 MUCGJRUAPULVNJ-KXBFYZLASA-N 440.545 0.733 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(C)(=O)=O)CCOC1 1767473407 NTJKLKIGDNPRCX-VQIMIIECSA-N 438.554 0.151 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1769845297 LIUYRYLARNTZFK-MRXNPFEDSA-N 435.554 0.945 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1771345172 BUZJCVBAYPEPRI-XLIONFOSSA-N 431.518 0.982 30 20 ICED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1778726017 JUJHIWGETXQIMM-OPAMFIHVSA-N 449.471 0.612 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779339149 FAFIJIVADUYGBN-GSHUGGBRSA-N 432.521 0.330 30 20 ICED Cc1c(Br)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1780367926 CKSNSLXQUXCCOU-QGZVFWFLSA-N 439.266 0.023 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1781272148 XFLSXACWOBJXDV-LZBANZJXSA-N 434.489 0.669 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961254 JUCJJXPRHRHWIH-XOBRGWDASA-N 437.493 0.822 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781971271 SPJIQFYDEVHFSQ-WIYYLYMNSA-N 448.907 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ncc[nH]2)C1 1782398367 SVQDQIQVWDAOAL-GUEKAFECSA-N 429.521 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1782486645 BEURXRBPYDLMQM-CHFIUFFRSA-N 437.500 0.945 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(C#N)c1 1782766370 LGOXAZUYEBHQNE-ZHRRBRCNSA-N 438.488 0.792 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1C#N 1785198865 JMQYOYPCMFWXIG-NRFANRHFSA-N 429.477 0.457 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785350284 DWCVCBFBNREOSF-VGOFRKELSA-N 430.505 0.856 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1785382046 OLJYQQUSQMGZCO-FQEVSTJZSA-N 433.486 0.585 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1790792513 PTDDEVFFZAJLJJ-IUUWJXCHSA-N 449.548 0.607 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)ccc1-n1ccnn1)C2 1793346244 GJGKMYNQJBJYOU-DCXXXQMHSA-N 437.500 0.817 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nc1 1794460254 LIHSWKOMWSCUPC-QQAVIKJWSA-N 428.537 0.823 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797450382 HAVTWOWHHQVNNY-ZDUSMZPESA-N 443.500 0.794 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797744102 MGOZQEDEQKOHSB-RCYRTTBSSA-N 443.483 0.543 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)cc1 1798484350 RFBGOHUBLSKYAL-IIZPIQPGSA-N 426.517 0.780 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CN(C)C2)N(C(=O)OC(C)(C)C)C1 1801559056 QXJQBDOVCRWBFG-RDGPPVDQSA-N 448.564 0.703 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802603503 WHEYPUJXOXEBHK-UDQXKNNESA-N 439.516 0.472 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)[C@@H]1c1cccnc1 1803549006 RKMJHHFVYZQAOL-OGWHTMIXSA-N 429.521 0.833 30 20 ICED 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]1C[C@H](O)CN1)C2 1804378751 QOIFAAWEXRKJOV-MULDDASSSA-N 434.537 0.264 30 20 ICED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1)C(F)(F)F 1814770534 WUJXFOCBIDZQBZ-QMMMGPOBSA-N 442.356 0.898 30 20 ICED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816675801 UJFIAMVEXFNRKP-NSHDSACASA-N 440.489 0.689 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819427053 VGPVMHZUYLFHJV-INIZCTEOSA-N 426.477 0.976 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819904752 IJXJVFZQWQUMCS-NTVBDKIQSA-N 446.489 0.981 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)CC3)c1 1821600065 HZVSKJCCOZVONZ-JTQLQIEISA-N 449.456 0.613 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673669 IGNIDPAQHAZWQG-GWCFXTLKSA-N 438.506 0.171 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824973571 VXBRFSUUEJCVSD-QGZVFWFLSA-N 448.520 0.667 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825327933 WERCNYCFFBUFPB-KGLIPLIRSA-N 441.554 0.143 30 20 ICED COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064100 FRMFJIOLFBFYBJ-NRFANRHFSA-N 441.525 0.062 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885489 GOHRDCFPVDZDKM-IIBYNOLFSA-N 441.525 0.295 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831392027 HXAGBHBIIWORIS-UZUQRXQVSA-N 444.484 0.566 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1831399251 SZHYADPITLQHAV-SZNDQCEHSA-N 438.427 0.779 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1831402244 RHEZXQAPGPLRMA-WZONZLPQSA-N 440.500 0.531 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831431213 BHWIAJXOAFSRPD-VGOFRKELSA-N 443.504 0.319 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831460162 CCPXJZSPOVECRO-IERDGZPVSA-N 449.529 0.309 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831489664 FKTNBSVZWACGMB-QUCCMNQESA-N 440.585 0.694 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NCC=C)CC2)CC1 1833464436 ZNSKZIIZPQZJKL-HPFMTEOYSA-N 430.549 0.455 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465751 PLYNUQQMJFEOQP-XVSPKSMYSA-N 438.506 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834703922 LZLDGDIYLFGSKH-HSZRJFAPSA-N 442.516 0.608 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834773008 DEVPRAJQXNDKTP-WMWRJIBUSA-N 427.457 0.748 30 20 ICED Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)o1 1834834094 CAILJWSXYFTMIK-XQNSMLJCSA-N 445.568 0.964 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4ccnn4)CC3)CC2)cc1 1834895138 IBPCRJGSRKWRLH-UHFFFAOYSA-N 435.532 0.964 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835245412 SKMRUEGMZGMKKP-JOCHJYFZSA-N 449.479 0.359 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1835673096 WCKRQDVVXJEYQV-HSZRJFAPSA-N 443.548 0.752 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835833088 VDRYQDVHUIQOCI-OAHLLOKOSA-N 426.521 0.762 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835913601 GAJCBAQSVFNQNI-OFNKIYASSA-N 444.532 0.564 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837174754 BFGOYMLKPJHPRY-AWEZNQCLSA-N 443.504 0.905 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1837403143 OETOYLFMRMHZTP-YDHSSHFGSA-N 437.581 0.889 30 20 ICED Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C 1837440571 NHFXFJYJMSSTLS-XZEIMLRBSA-N 433.509 0.833 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c1 1838736254 SZXBUKVPAKXDTJ-NRFANRHFSA-N 435.444 0.313 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5c4)C3)C2)c1 1838740446 LIBHCYSLJQCDOJ-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1839066515 KRYASMCZMCWCGL-RDPSFJRHSA-N 447.576 0.483 30 20 ICED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132848 SHJAYVVDXJLWRQ-QFIPXVFZSA-N 429.473 0.545 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839175285 ZPNXANSXDPSNKQ-QFIPXVFZSA-N 446.504 0.409 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422024 YOMCZABSICHIDI-PGRDOPGGSA-N 444.463 0.388 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccoc3I)C2)C1 1839807461 BNDTUXUASWFBQC-MRXNPFEDSA-N 444.225 0.587 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCO2)C1 1840048847 FURMDYXHFJOSBE-QLDGJZPUSA-N 434.537 0.292 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1840160947 ZHRYIHHSIZLBDA-FZKQIMNGSA-N 426.495 0.086 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486533 IWXVAXDVNCQSGX-OCGIBOOASA-N 442.520 0.418 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C(N)=O)cc4)CCO3)C2)CCC1 1840648872 HRKBETCBFSDKGI-QFIPXVFZSA-N 426.473 0.549 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)CC1 1843837851 NXXPUHSTURKNFQ-KGENOOAVSA-N 439.582 0.333 30 20 ICED CCCCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 110753872 UHBAYTZJUFRJDJ-UHFFFAOYSA-N 427.548 0.996 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 438748752 CPDREZDYTFGTEO-OAHLLOKOSA-N 445.545 0.941 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)C1=O 460326164 IEKJYQAAAFRZOP-UHFFFAOYSA-N 446.485 0.337 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 460714226 OUEGXMCDASFXPO-QGZVFWFLSA-N 435.488 1.247 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 461305128 NWJYMPIFPLFFRR-GOSISDBHSA-N 433.534 0.390 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(F)ccc2OC)c1=O 461342671 OJXKCNIELYPGNH-OAHLLOKOSA-N 431.489 0.876 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)n1 462933933 YNMUMFLUICNBJQ-UHFFFAOYSA-N 430.490 1.130 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC[S@@]1=O 469623394 XJALDBMEBNSZJL-SSEXGKCCSA-N 428.518 1.286 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 471693038 NPTANOOMHWKPAW-MBOZVWFJSA-N 445.545 0.739 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 475339313 PVSOTDJMLDYRNC-ROUUACIJSA-N 446.529 0.201 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476275506 RRUYUIBDCOWMIC-XOBRGWDASA-N 441.492 0.001 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 483370929 ZYAFFOSNHMWOJE-HZPDHXFCSA-N 449.533 0.303 30 20 ICED COCCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488259554 DYKLYVNAAIPCCJ-RTBURBONSA-N 448.545 0.894 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 489844416 YCHVZSHDMPXYNR-AWEZNQCLSA-N 432.506 0.929 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C3CCCC3)CC2)CC1 501755391 LJFDNOBMDHRWLK-UHFFFAOYSA-N 445.589 0.951 30 20 ICED N#Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)c(F)c1 506123481 AAOQAAJLRLIAID-UHFFFAOYSA-N 443.523 0.917 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 506906736 CPVSOVZASMCQFD-CHWSQXEVSA-N 442.519 0.532 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)C1=O 512514528 MLHPOLDMZCJGGL-AWEZNQCLSA-N 427.461 0.707 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 514491071 NITNCAWCLUJGBQ-UHFFFAOYSA-N 445.497 0.589 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)c1 515709408 PRQJDRHTRZXQAD-UHFFFAOYSA-N 444.561 0.883 30 20 ICED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 520195003 PDZXRIZKOGMBBE-HOCLYGCPSA-N 447.521 0.224 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 524916896 IPNLKIBPPFUTTR-UHFFFAOYSA-N 435.481 0.913 30 20 ICED C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 538111344 OEESESCEYIQXGG-HNNXBMFYSA-N 449.533 0.522 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 550749252 IWIXBBISUVLOSB-UHFFFAOYSA-N 447.455 0.914 30 20 ICED CC(=O)N[C@](C)(C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(S(C)(=O)=O)cc1 555859161 RNCIHHALQUUPLS-FQEVSTJZSA-N 446.533 0.710 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)C1=O 559488336 OJNPMPJXALEAOD-PMACEKPBSA-N 428.533 0.730 30 20 ICED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 561706554 HIJLHMZKKNSONU-MOPGFXCFSA-N 434.500 0.974 30 20 ICED Cc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(O[C@H]2CCOC2)c1 568614139 GQPBUKVFTQALJW-INIZCTEOSA-N 440.504 1.047 30 20 ICED CC[C@@H](O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 583517637 GJFOIUZDCQAHDB-QZTJIDSGSA-N 431.512 0.697 30 20 ICED CC[C@@H](O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 583517639 GJFOIUZDCQAHDB-ZWKOTPCHSA-N 431.512 0.697 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(Br)cn2)C1=O 589060406 GSNGZJAHMWDSRX-UHFFFAOYSA-N 438.238 0.218 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 590908800 CBYPMNLZQRBJFE-ZDUSSCGKSA-N 430.486 0.882 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604211552 KORMTHZCPGBDCX-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)CC2)cc1 604490715 AUCDPCSPTNFNQO-UHFFFAOYSA-N 440.528 0.414 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1=O 623209549 SKHNPQIHWNCSDM-SFHVURJKSA-N 427.505 0.458 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 733150306 HIXOYYWTUISIHS-KURKYZTESA-N 448.589 0.177 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 742615627 QDKKMRHGVLFNJM-LJQANCHMSA-N 431.489 0.548 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 743889842 BIWZJZIVANFPRX-UHFFFAOYSA-N 430.480 0.933 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 746881998 GABFVKXPYANTKS-UHFFFAOYSA-N 441.513 0.537 30 20 ICED C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 749752137 QUDUJPYPJPRXHZ-MIIVRJSTSA-N 437.522 0.598 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C2CC2)c1=O 751138219 KNIXETXZNYUOAC-UHFFFAOYSA-N 439.537 0.795 30 20 ICED CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 752141460 YNIRVFIVZAZHAO-UAHGDZPKSA-N 438.506 0.753 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 752836179 VHZIOQGCZKAOKW-INIZCTEOSA-N 430.490 0.722 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(F)cc(F)c2)c1=O 758078100 HMPWRYZWTOHLPJ-UHFFFAOYSA-N 431.464 0.867 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 761030519 XAJFQTFFCRBHRA-UHFFFAOYSA-N 425.467 0.017 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 764742601 AAJBEWFLNBTXBU-NSHDSACASA-N 442.457 0.562 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)s1 765146914 YQNOBAYNUFMKKC-UHFFFAOYSA-N 429.527 0.986 30 20 ICED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 766566983 UBWMYGRVYAGMST-TYHXDMBQSA-N 438.506 0.046 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCOC 767955481 LTURGJYJWUSKTL-UHFFFAOYSA-N 433.530 0.812 30 20 ICED COC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769211047 DAHPTNGIGSUZKJ-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C1CCS(=O)(=O)CC1 777438031 PEMIKNABWUSRMF-UHFFFAOYSA-N 429.568 0.630 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)nc12 784194442 APXRZCCFCBBKOF-UHFFFAOYSA-N 435.444 0.874 30 20 ICED CCN(C(=O)COC(=O)c1ccc(C#N)[nH]1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 786081812 QFBLGSGTUMGBAY-UHFFFAOYSA-N 436.428 0.989 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 789958814 DZVUYMNMNGYYOG-XZOUCZQKSA-N 442.563 0.557 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 793012636 DYUNPCVYYRKSHW-IBGZPJMESA-N 449.467 0.654 30 20 ICED CN(c1ccccc1)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 797786007 CEOROMVDORDWIT-UHFFFAOYSA-N 428.474 0.559 30 20 ICED C#CC[C@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 798279592 CNJVQXBXGHGMMI-MGPUTAFESA-N 441.550 0.589 30 20 ICED C[C@]1(C[C@@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)NC(=O)NC1=O 804554849 CRZXQMGVFWPWNB-HXPMCKFVSA-N 433.490 0.094 30 20 ICED C#CCSCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCSCC#C)cc1 810051266 GPVIOPJOYFNNFH-UHFFFAOYSA-N 432.614 0.976 30 20 ICED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)Nc1ncccc1O 816612693 VZMHYKFFDMUYOZ-STQMWFEESA-N 445.501 0.995 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(C)c1 838631852 SDRAHIKBMFGHQS-UHFFFAOYSA-N 437.525 0.515 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C3CC3)[nH]n2)CC1 913349028 JSEDUEQDCXYQQY-UHFFFAOYSA-N 443.485 0.849 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)o1 915377601 SJDPWNFQOCTDKG-IFXJQAMLSA-N 433.490 0.501 30 20 ICED C[C@H](OC(=O)COc1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 919415689 FCWLKIYIROKUIJ-AWEZNQCLSA-N 431.470 0.875 30 20 ICED COCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1301460676 WLGBJIYTMHNPAU-IFXJQAMLSA-N 434.522 0.786 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502718939 UTZHZZFYEJKKJQ-UTKZUKDTSA-N 431.541 0.585 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1517536245 MUNQBYAOSXLMGF-JXFKEZNVSA-N 428.518 0.636 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1521062762 IZJMOYNVCWZHGE-BEFAXECRSA-N 432.481 0.769 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)CC2)cc1 1556270434 SOZXVUGKTHWRTE-MRXNPFEDSA-N 447.546 0.789 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1749268991 KVFAQONCWYCBIM-HNNXBMFYSA-N 448.977 0.132 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1751194425 LSFOXWWMCDICEQ-WMLDXEAASA-N 434.522 0.812 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760374150 JCNNQBRHJNQTJB-CHWSQXEVSA-N 446.917 0.004 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1760697152 WWPLOTMRDBFGID-ZIAGYGMSSA-N 431.584 0.989 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779101969 AEQHUDIBKBAAEF-RETMYHCQSA-N 433.509 0.955 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1779470653 RHRFBDRFVXQUFY-LUQKVYGDSA-N 428.493 0.413 30 20 ICED CCc1nn(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1Cl 1782011322 ZGMMMABSAQQGQE-JLTOFOAXSA-N 436.896 0.851 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636952 YBJGPURISWYEGF-OAQYLSRUSA-N 432.477 0.454 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1783890329 XXRZSZHOXUQDKB-QEEYODRMSA-N 443.566 0.771 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1784023514 VXSNOALPFLQSQG-VGSWGCGISA-N 428.489 0.387 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784346314 VSVDQLBKJIJRNY-TVAQVYIISA-N 427.505 0.203 30 20 ICED CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784815069 AACVQUKOPXOXEK-KKUMJFAQSA-N 437.493 0.357 30 20 ICED Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C(F)(F)F)o1 1787481964 KSTNSLADDVWDKC-SRVKXCTJSA-N 429.351 0.683 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791132260 GYYFTCSJZKEDTE-FYQPLNBISA-N 442.553 0.627 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1792488527 GVFWIESNWXCJQO-UNLPWUIWSA-N 438.528 0.149 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)c(O)c1 1792727966 VQRMRMONIWHDEG-HJZKZARXSA-N 443.500 0.391 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794109029 YZUMVBCTHAMIKD-ZUMXRPEOSA-N 448.545 0.502 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1797815743 WJUIMPQALKLSJD-CGHCWTQBSA-N 449.460 0.536 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)cc1O 1798832836 GAQNFPDVVVHFDJ-KULPGCBOSA-N 429.473 0.462 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1808439755 CEYMCRKXKWGNCQ-VQIMIIECSA-N 437.518 0.641 30 20 ICED Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2nccn12 1812171459 XHVKANRMUHWGJQ-JXFKEZNVSA-N 432.440 0.840 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)S)[C@H]2c2cccnc2)c(=O)nc1O 1814037186 KSYKYJDYHUUHAE-KMFMINBZSA-N 431.518 0.677 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1814806656 LRTDDBYQZYHVNG-KGLIPLIRSA-N 447.561 0.347 30 20 ICED O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1825328056 AITRZZQVOXMICF-VPNURPJOSA-N 449.533 0.054 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829801684 HDSGIOZUCXNCKV-VGOFRKELSA-N 429.521 0.998 30 20 ICED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830525506 APOXADPFGFGKNK-LAUBAEHRSA-N 427.461 0.275 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831433831 ZQPCAGMLNVZOIO-VBKZILBWSA-N 447.517 0.747 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1832294223 WYSPQQYWDPVVTF-JXFKEZNVSA-N 426.514 0.112 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)cn1)CCO2 1833109462 KZAOFVBMMPTATB-GOSISDBHSA-N 437.294 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1833467748 YJDUUKSQBUIZNH-PMACEKPBSA-N 447.624 0.232 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833845526 ABXPMRDBDVYDNP-KSFYIVLOSA-N 438.488 0.826 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)c1 1833976061 FSMHMQCTIKHTEB-QFIPXVFZSA-N 437.456 0.741 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834763722 TUJSTDHFUSSSPM-OAQYLSRUSA-N 433.436 0.986 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835042898 SWLOHSZAUFNQLG-UHFFFAOYSA-N 425.493 0.924 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1835713588 BFOVOLQFGHFEHP-SFHVURJKSA-N 443.610 0.566 30 20 ICED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835782165 YSOPHYKTWSYJIX-HZHRSRAPSA-N 431.537 0.796 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cnc[nH]2)CCO3)ccc1F 1836488168 FEIVANFVQUDHNP-QFIPXVFZSA-N 441.463 0.662 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493657 PTVZNTXTRSVUNE-FDDCHVKYSA-N 434.533 0.757 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567659 RGWGARBLIKRAMY-RGEBAEOJSA-N 448.520 0.460 30 20 ICED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)co1 1838135688 WTAQKTAVYXBXKM-XZEIMLRBSA-N 433.509 0.779 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838791594 GRPGAKBJHRZRSW-QFIPXVFZSA-N 438.488 0.887 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905713 UUDZYBJLFHIHLZ-QFIPXVFZSA-N 428.489 0.543 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)c1ccc(O)cc1)CCO2 1839167116 LVNIHDFXMUHVRJ-PMAPCBKXSA-N 430.501 0.990 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422483 WWIKPCKXTYXCBV-HXUWFJFHSA-N 434.424 0.123 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628221 VECLVCIBYROCJE-BTYIYWSLSA-N 429.477 0.619 30 20 ICED Cc1ccc(OCCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840039814 AVHXRDNRIFGDPM-JOCHJYFZSA-N 430.457 0.308 30 20 ICED CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039965 KVLUEQRTNKJWAN-OAQYLSRUSA-N 438.477 0.043 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3F)C2)C1 1840043358 TYFRCDLVMANFPG-NRFANRHFSA-N 429.404 0.465 30 20 ICED COc1cc(Cl)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044936 IMQWMGZTRFMWHI-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840423105 UPSPIXNTRLHMFJ-HMFYCAOWSA-N 433.505 0.896 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645584 CARXXGOPDHUVSE-OPAMFIHVSA-N 431.489 0.447 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645585 CARXXGOPDHUVSE-ZHRRBRCNSA-N 431.489 0.447 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1840713269 JMPAVDRADXBMDF-XKDCRVNJSA-N 440.500 0.662 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)cc1C#N 1844298568 YFJQGXGGEHMHHY-OAQYLSRUSA-N 442.516 0.813 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1847071460 OJTHDDLHCXSMQB-OAHLLOKOSA-N 444.488 0.819 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1847073456 IESYBLIMBJGOTI-LSDHHAIUSA-N 431.497 0.354 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCN(C(N)=O)CC2)CC1 435646906 RUUWQNVWMOQPJF-UHFFFAOYSA-N 427.465 0.541 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435828031 RKTRWASDEJHXAC-HOCLYGCPSA-N 433.472 0.628 30 20 ICED COCCN(C(=O)CN(C)[C@H](C)CC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 438652948 PWJODQRJLJVNKT-OAHLLOKOSA-N 428.493 0.793 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 439734516 QUFSHQUHAMQXAM-UHFFFAOYSA-N 447.455 1.540 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCOC1 441952720 MQWSQSSSVDQQHS-HNNXBMFYSA-N 442.497 0.884 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2c2noc(COC)n2)cc1 442436883 JTPGXHIHJCFLQX-HNNXBMFYSA-N 429.433 0.670 30 20 ICED CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCN1C(=O)c1ccc(C#N)c(O)c1 443057277 JOUHDOBJZWJUOO-SFHVURJKSA-N 447.451 0.896 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cn1 460729546 SZTBPAMIIMCNRG-ZDUSSCGKSA-N 435.366 0.747 30 20 ICED COC(=O)[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1ccc(O)cc1 460804077 HTUIFYSYJVSSAT-INIZCTEOSA-N 448.439 0.931 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c[nH]1 462447926 YYFUCVOTVSWSNU-UHFFFAOYSA-N 438.487 0.368 30 20 ICED C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 463517560 VNEBGJOEBLGHQB-UHFFFAOYSA-N 438.550 0.510 30 20 ICED CC(C)n1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473259455 DPMKHZYUFLNGMO-UHFFFAOYSA-N 430.490 0.807 30 20 ICED CCS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 477856696 QYEHTFPXKHSHMZ-UHFFFAOYSA-N 433.538 0.806 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 481842151 HIRSICYMVGLIGZ-LLVKDONJSA-N 429.501 0.972 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nccc(N3CCn4cnnc4C3)n2)c1 481890347 QZDVRFGADVJNIP-UHFFFAOYSA-N 440.489 0.805 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 482837669 KEKRYLGQONSASH-XKQJLSEDSA-N 425.532 0.793 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1O 488187905 WATYXHQEOHEMHP-PBHICJAKSA-N 447.513 0.907 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 489245658 ANRXJSHNSMJWDT-LBPRGKRZSA-N 437.503 0.475 30 20 ICED COCCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 492951647 LASYYDXFKRGKJW-UHFFFAOYSA-N 429.502 0.840 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 498023316 AYLJAIYXUKTPHM-LBPRGKRZSA-N 429.296 0.799 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 500061746 UOUFHTOCBGKHHM-UHFFFAOYSA-N 426.451 0.603 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 504545734 HIQWOFOMMCOOMI-LJQANCHMSA-N 436.472 0.583 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1C 517494814 JMMSOHPDYITGEE-UHFFFAOYSA-N 447.582 0.804 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CCN(C)CC1 518712738 ZPLLJVZWMXOTRM-UHFFFAOYSA-N 431.587 0.971 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(CC)s2)c1=O 521287444 TUUJIBAJFDMIRV-UHFFFAOYSA-N 435.571 0.836 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 531969974 IKIBUPROZWFCLB-CYBMUJFWSA-N 433.511 0.871 30 20 ICED COC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 534056955 RPSNAGLGBCRAHH-UHFFFAOYSA-N 431.474 0.383 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 534505109 RXLWFDAAILXEFZ-UHFFFAOYSA-N 427.440 0.657 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)c1=O 536638149 FXHSSJPFUAZJTH-UHFFFAOYSA-N 432.444 0.125 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 538379175 SCPVWPPSCGADHT-UHFFFAOYSA-N 428.537 0.564 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 539269715 IGONBAVYRBYZFB-CYBMUJFWSA-N 445.925 0.600 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N2CCCC2)o1 553061571 ICMXJBBZGYPCLD-KRWDZBQOSA-N 427.509 1.109 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1NC(C)=O 560959089 WNYVDAGPJWSJPF-UHFFFAOYSA-N 436.472 0.885 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)CC2)c1C#N 571437341 HAZLXCQNYCDVFD-VQTJNVASSA-N 435.532 0.810 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)cc1 573269483 KEYPWTBIUUQXBD-IAGOWNOFSA-N 434.518 0.701 30 20 ICED CN1CCN(C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 573767287 KOLVURJGLDOGEA-NRFANRHFSA-N 441.557 0.941 30 20 ICED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)c2ccccc21)n1cnc(C#N)n1 575091710 TXZVWPWVSHMTJV-KBPBESRZSA-N 430.432 0.815 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 580478691 SMHFHHXIGGGKOI-KRWDZBQOSA-N 447.967 0.871 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 584740686 HZGRUNGCMMEPMU-IBGZPJMESA-N 438.488 0.184 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)c1C#N 589614786 HPNAKBXFQSNDGB-KRWDZBQOSA-N 433.582 0.561 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 603796799 PYEURECVYSTEDI-UHFFFAOYSA-N 445.541 0.993 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 609756694 QHBMATFXUDZNKY-UHFFFAOYSA-N 446.489 0.186 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(=O)N(C)C 675442037 ZGIBGMYIKAGFKS-UHFFFAOYSA-N 449.536 0.912 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CO)(OC)CC2)cc1 683685758 XFLMUMKZAQKOKS-UHFFFAOYSA-N 425.507 0.432 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 684535478 PRLOTTXAVXBYLJ-KRWDZBQOSA-N 448.504 0.442 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1=O 726042403 IOKQRILCIHYNEU-UHFFFAOYSA-N 444.444 0.187 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577253 KSMZJFCPPSESEB-ZDUSSCGKSA-N 435.509 0.850 30 20 ICED C#Cc1cccc(NC(=O)C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 729884764 OLSUDHZHDBYJII-UHFFFAOYSA-N 442.277 0.647 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 731214390 JYDYYFIFAISTAG-JXFKEZNVSA-N 434.518 0.550 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 731863306 UBJBKLJEWHLAGA-LZICOFPGSA-N 448.501 0.400 30 20 ICED C[C@H](CC(=O)N1CCN(Cc2cnn(C)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742642778 LHGKIAMGAPTFPA-OAHLLOKOSA-N 430.534 0.582 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743728050 FXQZYOUOBNNOBR-UHFFFAOYSA-N 429.546 0.725 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 745339437 XARUXVRCBRUSSV-HTUUBCJYSA-N 447.491 0.667 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746572139 GQBSAUBGGCAASK-UHFFFAOYSA-N 431.470 0.644 30 20 ICED COCCN(C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 754279843 QFYBKXBEDLITBV-ZLYHGVDXSA-N 432.564 0.681 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3ncccc3c2)c1=O 758067806 IKIPRSJHNCSEOF-OAHLLOKOSA-N 432.505 0.745 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 765145802 OIUIDCXHJSLFIU-CYBMUJFWSA-N 436.449 0.913 30 20 ICED CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769643198 ZOQDLVFDRZXCEX-LJQANCHMSA-N 443.481 0.696 30 20 ICED COCCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 770163517 IXTHNKCLQRTECZ-NSHDSACASA-N 429.520 0.935 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 771436281 JJKMIHKLSDBHBL-LEWJYISDSA-N 428.445 0.814 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771440223 QCHWPBLIMVRWGH-FQEVSTJZSA-N 432.433 0.326 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 780049880 CALMFBHDPOWVBG-AWEZNQCLSA-N 434.460 0.941 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1C(=O)N1CCOCC1 787453559 MVRLEFMIGBCKMR-UHFFFAOYSA-N 436.472 0.901 30 20 ICED CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCNC1=O 799846429 KEZFARBWHPBDHM-JZRFMTABSA-N 435.506 0.175 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cc(=O)n(C)c(=O)n1C 807618108 IFHWOSREDGSWLO-QFIPXVFZSA-N 438.440 0.292 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807783433 MZOMMMCNPRCFDZ-DGCLKSJQSA-N 427.445 0.514 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)n1 809679489 CQUQMRBZEXWOLI-UHFFFAOYSA-N 427.509 0.308 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)nc1 810348534 ORXDDMSESMFDAC-UHFFFAOYSA-N 432.387 0.863 30 20 ICED COCCN(C(=O)COC(=O)c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 844893583 XMDCXAWTPUWHEB-UHFFFAOYSA-N 443.460 0.895 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770191 GZFSSKTVKJOQBJ-AWEZNQCLSA-N 443.525 0.145 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 918319738 VWHJDERERJIKOD-UHFFFAOYSA-N 433.516 0.992 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCN2CCCS2(=O)=O)c1 918616254 JNQOYTFSONQWJJ-MNDPQUGUSA-N 428.536 0.864 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2COC3(CCOCC3)O2)cn1 1116480871 URDDOUGKDFFPJV-LSDHHAIUSA-N 437.522 0.893 30 20 ICED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1314552617 LNRHOCIVUGOJNU-UHFFFAOYSA-N 433.538 0.864 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H]3OCCC[C@H]3C2)CC1 1319811902 NWEAMBHRFHTGRG-RBUKOAKNSA-N 432.546 0.892 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C2(C(=O)N3CCC(C(=O)NCC#C)CC3)CCC2)CC1 1321257489 HTNATSBBHCFVGY-UHFFFAOYSA-N 440.544 0.133 30 20 ICED CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359492499 OHBGOJVRNXXYEF-KRWDZBQOSA-N 442.568 0.853 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1507868687 NTXGVCWRMNTQEW-CYBMUJFWSA-N 428.946 0.927 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1611332018 MHFJRHODGIGMKQ-RHSMWYFYSA-N 445.549 0.941 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CCO1 1618711079 VVRNJWGCRRFWHC-ZWKOTPCHSA-N 444.492 0.341 30 20 ICED CC(=O)N[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1633550620 VEUXFUGIUXPWHG-CQSZACIVSA-N 434.250 0.577 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1692560931 RBTDICPCDGOKBV-OAHLLOKOSA-N 432.506 0.602 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC2(O)CCOCC2)cc1 1698488967 NKKRPKVMAHOWLT-UHFFFAOYSA-N 426.477 0.597 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCNS(=O)(=O)c1ccccc1 1722862338 VSJHUASGFZUOTR-HNNXBMFYSA-N 433.538 0.991 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 1724010498 PJMYYXHFIIOQQX-AWEZNQCLSA-N 429.568 0.745 30 20 ICED CCN(CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1765217551 RDRSJFMTFAPFJQ-QGZVFWFLSA-N 433.538 0.664 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779252280 BQMQFSWQYNHDON-UNYFFVJDSA-N 438.525 0.650 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446276 BKRSVJYGRJPHDH-IESCHBCESA-N 449.504 0.828 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947022 DXYUFRDGKMQWDA-JLTOFOAXSA-N 430.486 0.238 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1781253701 ZQIUIKMVFHXUJO-YJYMSZOUSA-N 449.305 0.899 30 20 ICED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1781473913 TZNPNXCKOIXFNK-OXQOHEQNSA-N 432.550 0.498 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CC1 1781961555 IAWXXBFRJNVXOW-QHCPKHFHSA-N 443.523 0.778 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784592057 VVMZQDNXRXLKCP-KNTRFNDTSA-N 426.517 0.982 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785480487 IQTSRZKKIMNVFB-NRFANRHFSA-N 435.477 0.161 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562665 YRLPHFBAQVVOST-LEAZDLGRSA-N 426.517 0.725 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788562376 ODWOMKVLPFENKS-LEAZDLGRSA-N 426.517 0.725 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1788573931 VTTPKRWRSZTOIG-DEPCRRQNSA-N 436.597 0.175 30 20 ICED Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c1F 1788601256 NHAOHJRFBRYIHZ-LTKSSQCXSA-N 434.516 0.933 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1788657024 WQHOFWMLKPYAFE-OIROCEHISA-N 431.493 0.528 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c1 1789256130 OEELWIXSRIMBCL-MGHWNKPDSA-N 428.445 0.269 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Oc1cccnc1)C2 1792491352 OTCNCQNRPMHXQY-GMYCFHGXSA-N 428.489 0.297 30 20 ICED C#CCO[C@H](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 1793569605 CNYOEXIVDPWTMB-QKDSSNGWSA-N 449.548 0.891 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN(C)C(C)=O)c1 1793747869 JWPSBVUFJKEMJO-RMFSNUHRSA-N 428.489 0.638 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796308516 YSUAIFWLUUHCLC-BWYOWLONSA-N 431.518 0.315 30 20 ICED 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)[nH]1 1798177425 FXDDXKVSISGBGB-FQLMCAECSA-N 449.508 0.788 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnn(-c4cccnc4)c2)C3)c1 1798693288 GHLYXOQFRBECTB-XEMDLRDOSA-N 431.456 0.984 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798921717 JRMNBABIQPGPEV-NKGKWGDASA-N 434.518 0.089 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n2ccnc2n1 1799985297 CGMSZQGNYFOMID-DFVPARBNSA-N 438.488 0.099 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1802233105 GWONENLJJYRMSQ-AJYBTWMASA-N 447.532 0.625 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1802327054 LARRZPZMWHRYHP-MOVRPIGNSA-N 425.482 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccc(=O)n2C)[C@@H]1c1cccnc1 1802475941 CTLOYIQJXJZYJW-KMOFIXPOSA-N 449.511 0.958 30 20 ICED O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)/C=N/N4CCCCC4)CC3)C2)C(=O)N1 1806697261 SVXFALISTDOPCC-LPYMAVHISA-N 432.525 0.241 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806770132 WMJADHUDWOHTPN-LPHOPBHVSA-N 437.518 0.641 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814978882 WKSWBBZSNOKVTC-RYUDHWBXSA-N 435.554 0.784 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1822027338 JYSKSBWTHRNITB-ZIAGYGMSSA-N 426.502 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)CC1 1829111349 PFBVDKCDDHMBIX-MITRTKIPSA-N 448.564 0.616 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1829781779 FXYPCRVDYXHVOI-NRFANRHFSA-N 434.493 0.950 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829955821 CGYKALWMEADFCE-GCJKJVERSA-N 426.473 0.154 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1830343089 NSLINPKOVVLFNA-ZWKOTPCHSA-N 436.553 0.708 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831215339 IGZCDUYSPILNNB-JOCHJYFZSA-N 427.457 0.336 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1831419022 JLXNQGJZQKBFIL-UTKZUKDTSA-N 425.526 0.340 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832590259 ATQUSLBPEBDSSY-MGPUTAFESA-N 439.603 0.881 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833087572 RHSXNPOBAFVZJT-KRAMAXKOSA-N 449.508 0.177 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)OC)CC2)CC1 1833465048 IKPRQOJKTXWJMM-INIZCTEOSA-N 439.578 0.503 30 20 ICED COC(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1835168018 PHJQGESGLDNQBY-UHFFFAOYSA-N 442.472 0.141 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CC1 1835344662 OXJYMTGAZSVTBA-JOCHJYFZSA-N 438.440 0.195 30 20 ICED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)CC1 1835513344 WLEHZKYROZRNSL-INIZCTEOSA-N 439.626 0.040 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835580219 SQOGBBBMBVVYHZ-VGOFRKELSA-N 433.480 0.732 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440649 RCWINHHJLCIALE-XZEIMLRBSA-N 432.525 0.270 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837493412 DHGPRRXKELLWTH-MTXNFPGFSA-N 446.544 0.709 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525468 WTSYHZISTRGENI-WGAVVDLZSA-N 436.465 0.582 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565272 QCVIXSCJPJDORH-MKMCAPMPSA-N 439.534 0.269 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(F)(F)F 1837799130 SYUDMBLOJCRTIW-HNNXBMFYSA-N 433.343 0.506 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1837977138 WYKWMTNJSUFOHZ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1837977448 IOWRMYSDMFXDKP-YQNSVDCASA-N 445.520 0.632 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)c(Cl)c1 1838321618 WBRYMROVEYHTCD-LJQANCHMSA-N 431.836 0.978 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)c21 1838437729 RCQHAZKWQXARIN-OAQYLSRUSA-N 427.461 0.653 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838743007 XAWNVFWHLLJMCV-QFIPXVFZSA-N 429.521 0.688 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839022420 JXJVHGPZCSYXPQ-FQEVSTJZSA-N 436.848 0.507 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)c1 1839049283 OBLBFDZQUBPIAA-JOCHJYFZSA-N 449.471 0.242 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c(C#N)c1 1839131443 YOQYHWMBDFOQFI-HSZRJFAPSA-N 443.500 0.602 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839224965 ULJSQGPGZICKMB-LQBOVUBWSA-N 447.536 0.209 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839225421 JKKYCPSPUCCICT-IERDGZPVSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241650 WECFMITZCBGCRW-UTKZUKDTSA-N 435.525 0.826 30 20 ICED CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839486011 ICLJGCUXZPOGCH-UWJYYQICSA-N 427.461 0.275 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1840170263 ULRPZNYMWVSSDK-UTKZUKDTSA-N 439.509 0.089 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840912222 CDJWQCFTORYKBL-URZJWIJPSA-N 448.520 0.826 30 20 ICED CCCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662227 RARRWPMNBTUALD-UHFFFAOYSA-N 436.490 0.738 30 20 ICED CO[C@H](C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cs1 409513252 XHMXWYGQELPYAL-ZBFHGGJFSA-N 429.568 0.827 30 20 ICED N#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 426008663 CJUKXDPPWDOEEG-UHFFFAOYSA-N 436.412 0.700 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 435658097 ZIPQUKAJTNLRIT-NSHDSACASA-N 447.448 0.687 30 20 ICED N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 446626943 WNPCFQMHAOVMLH-UHFFFAOYSA-N 440.504 0.776 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 448447537 NXUTYWCEJMRNCQ-BXUZGUMPSA-N 432.424 0.895 30 20 ICED Cc1ccc(NC(=O)Cn2ccc(C)c(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 460426427 NZNPHSQSUPBXMH-UHFFFAOYSA-N 430.486 0.996 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F 460689118 ORVBPNRRLDTXPF-UHFFFAOYSA-N 432.366 1.455 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)C1=O 464036140 ZUORUBAMKIGBIB-CQSZACIVSA-N 449.533 0.862 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)ccc21 471012931 BLSWXQNDTXMKOO-MRXNPFEDSA-N 447.517 0.488 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 472872940 VUVOWGHBFQITHX-UHFFFAOYSA-N 428.497 0.347 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)C1=O 478200693 JWRSDHBJLZQBBG-UHFFFAOYSA-N 439.428 0.642 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCOCC1 480120136 ZBVNQYMKUXFTMM-OAHLLOKOSA-N 429.502 0.773 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 480529671 SDWMUZLHZQKFCG-MRXNPFEDSA-N 442.545 0.688 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 483117387 IHDFSCHSJLGNKI-HIFRSBDPSA-N 447.469 0.510 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 484217280 DUACWUXMTSDRSP-KRWDZBQOSA-N 434.518 0.701 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)c(F)c2)c1 489190763 VFCUUPJCBVITCQ-UHFFFAOYSA-N 426.451 0.522 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 490819702 FQTBMVWGTIURCW-UHFFFAOYSA-N 431.460 0.914 30 20 ICED N#Cc1ccccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 499121959 PLYIFIAOGDSQEV-QGZVFWFLSA-N 427.548 0.458 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 501920013 LLMJBZAHXHBAJF-DOMZBBRYSA-N 435.462 0.355 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 502980205 LUEHBGFARSVCQI-UHFFFAOYSA-N 444.513 0.777 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 506713044 GKHMRCVCBRHMQR-OAHLLOKOSA-N 436.534 0.671 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)O1 513564983 CJFXBMSIBMMVCT-LRDDRELGSA-N 428.424 0.574 30 20 ICED COc1cc(CNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)ccc1C#N 516355952 FLTHDULCRCYNOY-UHFFFAOYSA-N 439.476 0.816 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)C1=O 519085034 FZDIMPYXUUUKCU-UHFFFAOYSA-N 428.445 0.079 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3csc(C)n3)c2=O)cn1 522389311 CYVDBSQHWQYYJW-UHFFFAOYSA-N 444.542 0.146 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1cnn(CC)c1 523575236 NHFSIXQRUNOYLY-UHFFFAOYSA-N 435.509 0.929 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 540363672 OPOVXAUYFWALQF-CQSZACIVSA-N 446.533 0.762 30 20 ICED CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1O 550105837 DFAOUUNOOYIKJO-ZWKOTPCHSA-N 440.504 0.785 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 553807842 DWLJHISHZLHGEQ-IAGOWNOFSA-N 431.468 0.146 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)cc1 554730270 PCSATYWFMGNUSN-FQEVSTJZSA-N 446.511 0.828 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OCC(N)=O 558549804 FHGKOHDKAOHGHD-UHFFFAOYSA-N 438.444 0.113 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)C2)nc1 559987724 ZLUYZMZBLZVLMI-GOSISDBHSA-N 431.456 1.406 30 20 ICED COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 566877264 FMLILWIKWHRARK-UZSYQUHHSA-N 426.473 0.433 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 580337150 OVVVUOUQHWYVNM-MRXNPFEDSA-N 427.505 0.133 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1=O 580578128 NPUGIEOGPOGEPM-GOSISDBHSA-N 428.489 0.021 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O 589160694 LWXKOBLVJJQVFS-UHFFFAOYSA-N 433.555 0.496 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3csc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 603788411 UZOKZIAOUIYIRN-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C1CCN(C)CC1 609074583 GTRIXYPUFCRWQE-UHFFFAOYSA-N 436.459 0.843 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1C[C@H]1CCCO1 609822496 DNEHGCONUYGIDB-GFCCVEGCSA-N 433.917 1.000 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 610184452 BJYCEWFMLLQLBQ-UHFFFAOYSA-N 447.521 0.005 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1 683015032 ZYQFQPDLAMVWFD-UHFFFAOYSA-N 429.399 0.494 30 20 ICED C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731861828 PTNBKTVGLMDHSH-PYRGYTOSSA-N 431.493 0.766 30 20 ICED O=C1C[C@@H](Cc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)C(=O)N1 739814707 PBPUQDYZXAVPRU-CQSZACIVSA-N 440.481 0.959 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480206 CROLGKPBOOFMNO-HLNSBACISA-N 429.454 0.946 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)cc1 748986260 KLPDBUSPIOUZBB-OQKWZONESA-N 447.517 0.271 30 20 ICED C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749669653 HQMZBXREKFQWKF-LPCAMTDXSA-N 433.494 0.234 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(S(N)(=O)=O)c3C)CC2)o1 754329954 IEINJJMWSXIBMS-UHFFFAOYSA-N 447.473 0.316 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 758425880 HQHJEDHQLIQICK-PKOBYXMFSA-N 443.529 0.561 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cnc1Cl 760382550 PVOZIICWBPYMOA-UHFFFAOYSA-N 430.917 0.963 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 761037993 RJIRJQGPUQRAHU-UHFFFAOYSA-N 436.431 0.546 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@@H]1CCOC1 762136495 FWOXKZXNRYWGOZ-HIFRSBDPSA-N 443.547 0.766 30 20 ICED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 762735472 AZELOHKUUMVXLS-UHFFFAOYSA-N 444.513 0.936 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771439193 QUZQIJSAZZJBKN-FKIZINRSSA-N 432.433 0.406 30 20 ICED CCN(CC)Cc1cc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1O 771896760 IFCBRMLGUMKHAE-UHFFFAOYSA-N 437.522 0.334 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 778207032 LDQAXONNCAUYKG-KQWNVCNZSA-N 435.506 0.080 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 781529329 KFZSOIDVKQHOQJ-WUKNDPDISA-N 438.893 0.610 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 788281463 MPPVRDWRDDFLMG-QFIPXVFZSA-N 432.521 0.729 30 20 ICED COC[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)C(N)=O 791783506 IILVROKQXGDZFP-QIIGAIICSA-N 425.511 0.901 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 815448181 HWEFBNMINAAVSG-OAHLLOKOSA-N 444.492 0.771 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 815549439 FMKMATYQZOKJPH-UHFFFAOYSA-N 428.474 0.612 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815552533 DLOCJCUVSYJRBT-UHFFFAOYSA-N 432.174 0.556 30 20 ICED C=CCNc1nc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cs1 818025858 LGFFUKQKECZCSQ-ZDUSSCGKSA-N 428.536 0.229 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)NC(=O)NC2=O 823630163 BTIGKZUAZAIPDN-CQSZACIVSA-N 447.517 0.485 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C 919013665 HFQKJDRHVLWQEU-RCDICMHDSA-N 442.472 0.288 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1303001180 PCGNHQGAFANHAR-CVEARBPZSA-N 441.579 0.745 30 20 ICED CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1313474006 LQKREPSQELAKER-CQSZACIVSA-N 425.559 0.935 30 20 ICED CS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505145972 HJOZJASEAVPJDE-GOSISDBHSA-N 447.540 0.734 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1541804379 VIZCTRPVHVZJHX-ILXRZTDVSA-N 429.568 0.743 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1620177205 WLMQKNPGHQFCGY-AWEZNQCLSA-N 442.448 0.824 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1707807705 JYAQVFBDERXKGC-WBVHZDCISA-N 427.557 0.972 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1722478123 PPHMSUBINGTTAV-QWRGUYRKSA-N 436.332 0.796 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)C1 1750209042 NOIZGAGFDXQFAA-QGZVFWFLSA-N 449.581 0.812 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1=O 1771136171 MBNDDBIZDVJIGV-NRFANRHFSA-N 442.545 0.980 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778954928 QNOHRNSQERJWQM-QRQCRPRQSA-N 443.504 0.718 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1779004662 FGLXRYPBHKXYMS-JOCHJYFZSA-N 445.592 0.792 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779018616 CCRPDWZOLWPCPX-DUYDGHCJSA-N 425.493 0.645 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(C)C 1779102063 ASCKRSKDNYDAKA-VZXDHSFBSA-N 439.509 0.933 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780172548 PMVBWGMVOTUDTE-NRFANRHFSA-N 445.545 0.494 30 20 ICED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)c(=O)nc1O 1780601097 GVQZCOWXGFWTAH-QFIPXVFZSA-N 437.456 0.273 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780948780 JHECVVKTZVMQFV-QFIPXVFZSA-N 439.520 0.384 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781114116 HAYHLFQBCKFRGC-DRSNIGMVSA-N 435.521 0.458 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1781166960 XOUSQLLYCMHPJF-HYFFOGBASA-N 437.537 0.894 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781343011 RHMJGIIUUWJKOQ-HTAPYJJXSA-N 437.537 0.896 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1782011163 RUQILGHBQDCPTD-WZONZLPQSA-N 449.467 0.754 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782871544 YMPKMSSDCFHSAS-OPAMFIHVSA-N 449.504 0.694 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)[C@H]2C1 1783576144 SOAFERKANFYGDA-FJIDUMEYSA-N 447.532 0.768 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784778968 HNGAVCKQIXTCEA-VGOFRKELSA-N 436.553 0.847 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1787634713 ILUZSMAWMQVNIO-LNLFQRSKSA-N 446.552 0.405 30 20 ICED O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788495108 GDCOLOLAGNDLHE-RTCOPYRCSA-N 448.520 0.330 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788564851 YMUDTPAFXZFMSM-UJNZZBMASA-N 445.495 0.998 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(CO)on4)[C@H]3C2)c1 1789377128 WTNDJBNHPCGFKP-DCPHZVHLSA-N 440.456 0.954 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOC4=O)C[C@@H]32)c1 1789509397 RZXDFUURDWXWHR-FHWLQOOXSA-N 426.473 0.994 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccc(O)cc1 1791078002 PGSQZMKYNFMJNH-QIJZPMMNSA-N 438.480 0.957 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791478808 QRUXYOGOPYAHIF-BQFCYCMXSA-N 430.461 0.273 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792165065 VRYWQBVBMUFWPL-FZDIXFNVSA-N 447.532 0.862 30 20 ICED 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)C#N 1792631446 LALBZYFUEUDRSR-FZKCQIBNSA-N 438.525 0.665 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797775714 GIMTZSQIOONBKZ-CUSZFKRNSA-N 429.525 0.148 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797786184 QHIAJIGWECYJDK-IZZQQSIFSA-N 434.533 0.864 30 20 ICED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799241307 QVCVCZVTRBVBLT-CWPLJXCYSA-N 430.461 0.055 30 20 ICED C=CC[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 1800485376 DXIXLUSHXRLJOM-UHDSXZAQSA-N 425.526 0.674 30 20 ICED NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cc1 1801655830 WJRMUILFZJNSOO-CEQLMSFQSA-N 439.512 0.687 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)cc1 1807670399 KUKBHLXWWSQLBU-BESBDSHLSA-N 433.512 0.925 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1810097174 GXSLGGDXDVBSCO-VDZJLULYSA-N 440.460 0.665 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810398140 FDAOGVXNOXLZDD-SUHLBEFOSA-N 425.489 0.522 30 20 ICED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770109 PBSYLMYAKZSEHH-LBPRGKRZSA-N 428.451 0.974 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815778327 XOCODHMOMOKWOX-PYBFCXIOSA-N 433.494 0.876 30 20 ICED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1820192834 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1831188843 WNTFIAOJFCLVNX-OYHNWAKOSA-N 446.479 0.682 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831208557 NPPQYRKEARZEEO-CYFREDJKSA-N 443.544 0.647 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1831223028 NLFUYWWYWXUADG-GPVJQRHHSA-N 442.468 0.686 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1831228823 MIZRPANCJWDVRI-JTSKRJEESA-N 429.473 0.977 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1831396760 QREQKWMQNSGWFH-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1831401828 HDAPJUCUZJBKEI-DOMZBBRYSA-N 427.712 0.851 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831418567 DBIQQYVZCMZEHB-VGSWGCGISA-N 443.504 0.479 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831426029 FBVLXVASSFHDRA-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1832461895 AOELHUNQGLEEGQ-FQEVSTJZSA-N 428.551 0.951 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)no1 1832930546 IWFLQOXAIMVWRR-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833208522 RIUZQYBAUWOSIB-YWZLYKJASA-N 438.912 0.773 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833502895 OMGMJYNNXKAZPW-NRFANRHFSA-N 434.493 0.538 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(OCF)cn4)CCO3)C2)c1 1833572230 GIPQXFHYDCWTOF-FQEVSTJZSA-N 444.423 0.366 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1834346093 CIMGPTKIULAVQL-QFIPXVFZSA-N 431.489 0.752 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cnc2s1 1834761098 WGBHCUXBDHKKJR-IBGZPJMESA-N 431.474 0.048 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)NC(=O)CC5)C3)C2)CC1 1835346484 CZLYKUXSIYTDKP-QHCPKHFHSA-N 438.484 0.945 30 20 ICED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cs1 1835791082 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Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1837557036 RFLNAMFEGYHLEI-GMKGHPLGSA-N 425.445 0.966 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924159 MXPQJFWAAYGPOP-OJJSKHJLSA-N 447.879 0.912 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1838190820 XOJAZZAOUBEUQC-MRXNPFEDSA-N 447.391 0.320 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1838492364 LAKHTNRHHXOHEA-NRFANRHFSA-N 440.460 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(COC)c[nH]1)CCO2 1838512610 QKSWJVGXRZHDIY-QATSOJGNSA-N 446.504 0.090 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838549828 KDOYCUBQXJGEAW-KKSFZXQISA-N 438.546 0.836 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c(C#N)c1 1839131743 WMNYTBRETXIAOI-JOCHJYFZSA-N 439.472 0.603 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(C#N)c1 1839132223 ZZHGRFNPWYHJCA-HSZRJFAPSA-N 438.484 0.870 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839514192 CEVNWXDRFSQCKJ-RNODOKPDSA-N 432.502 0.724 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839537832 FPELPAYMKXLMRF-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570247 CRQPEYWMVJHSRG-CVDCTZTESA-N 442.516 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c(C)cccc34)CCO2)C1 1839595686 NFPBPTPWVFPVIV-UZUQRXQVSA-N 440.500 0.980 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnn1 1839709078 WHUWEJADDZPGAP-JRSYJKOESA-N 430.465 0.008 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840168348 HHMCGYYQOMWVSH-QFIPXVFZSA-N 430.505 0.799 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820413 OAHMRZZPWIWTCD-FDDCHVKYSA-N 444.532 0.734 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)c1ccc(O)cc1 1844298014 SMULYIDZDRPBMQ-KNQAVFIVSA-N 441.528 0.743 30 20 ICED C=C(C)CN(CC)C(=O)Cn1c(=O)c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 22341060 FHUDGDZFNRCLQS-UHFFFAOYSA-N 436.534 0.858 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 22763618 ZCLIUJKOVBBQSZ-UHFFFAOYSA-N 447.561 0.191 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 29476017 FZTJANYRBXIOAL-GFCCVEGCSA-N 442.453 0.952 30 20 ICED CN(C(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1(C#N)CCCCC1 108366615 UFWLRRHJDQLBNY-UHFFFAOYSA-N 433.534 0.904 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCN(C)S(=O)(=O)N(CC)C[C@H](C)C#N 409504505 ZBZYUFZGBLRORK-HZPDHXFCSA-N 436.604 0.351 30 20 ICED COCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 439088220 URSKPSCFPAFJCJ-UHFFFAOYSA-N 439.519 0.096 30 20 ICED CN(CC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 440661896 RCGOPFZASAONJL-IRXDYDNUSA-N 425.532 0.747 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@H]1CCOC1 441948824 DKCWFESHPZEAIA-OAHLLOKOSA-N 442.541 0.769 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C 442404392 CBVMCVXMRKNZBS-KRWDZBQOSA-N 448.487 1.336 30 20 ICED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445184902 FCDWYATYRJLYKV-ZBFHGGJFSA-N 431.836 0.861 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 463086067 HJLRXNCYPYYVJI-UHFFFAOYSA-N 430.461 0.919 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 467604742 HWVUDSCVDWWXCJ-PWPWXDDWSA-N 435.531 0.291 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 475731044 CBSZOTBVEPTIIX-AWEZNQCLSA-N 434.493 0.871 30 20 ICED N#Cc1c(NC(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)sc2c1CCCCC2 482067035 HBCSDAWWOFFESH-CYBMUJFWSA-N 430.490 0.854 30 20 ICED COCC1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 497574210 FNOUHWKUOLXBLH-UHFFFAOYSA-N 425.467 0.835 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C(C1CC1)C1CC1 505662810 OTZZZAZNFVJNMT-UHFFFAOYSA-N 441.557 0.579 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCN1Cc1ccccc1 511754710 PXSPPCBTACLYOX-IPMKNSEASA-N 430.530 0.259 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCN(C)CC1 516376195 NBAJDCZVJBYFLZ-UHFFFAOYSA-N 428.562 0.185 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1=O 519106532 BJDPYQFVOGZBTN-UHFFFAOYSA-N 444.463 0.966 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1[C@H]1CCOc2ccccc21 525777962 PFXQVYZXFDBDTO-KRWDZBQOSA-N 432.461 0.995 30 20 ICED C=CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 533388046 VANBZJDLTPDYGI-LJQANCHMSA-N 435.546 0.450 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)nc1 550751715 NSQSDDCOGQYWDW-NRFANRHFSA-N 448.527 0.792 30 20 ICED CS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 558557902 HWPKVODRQXUWQO-UHFFFAOYSA-N 448.526 0.645 30 20 ICED COc1ccc([C@H](CNC(=O)NCCn2cnc(C#N)n2)N2CCOCC2)cc1OC 561421952 DOLTYLBKPNMNBB-INIZCTEOSA-N 429.481 0.540 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 564135894 YXWBHJCVFJKLGQ-PBWTXFEYSA-N 447.495 0.389 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCOC1 567075099 DLXWOPNUNNPVIM-LBPRGKRZSA-N 448.526 0.944 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 569640511 FBAOMGCYONAKDS-VQIMIIECSA-N 432.484 0.912 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1c(C)nn(C)c1C 573037071 KCLCDINVFHIZGN-QGZVFWFLSA-N 426.525 0.867 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](C)S1(=O)=O 582413306 LUSWCLCQHGLDBD-VXGBXAGGSA-N 435.893 1.370 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(C)C 592993159 GAWZQWFBKCHQEQ-UHFFFAOYSA-N 426.477 0.535 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 603463680 QCWJGWLLFASNAX-UHFFFAOYSA-N 434.543 0.973 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)nc2n(C)c1=O 603590881 AZIAWXBQDQJZDC-UHFFFAOYSA-N 435.444 0.332 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 606036978 OMLWXOHLNTZWBJ-CQSZACIVSA-N 437.522 0.720 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 728534444 LCQAGOMJMVFLPG-FQEVSTJZSA-N 434.562 0.192 30 20 ICED N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 728915736 WHBBCQSNJLTFJO-MRXNPFEDSA-N 440.547 0.021 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CC(=O)Nc2ccccc21 729540254 ZNDZBOONRMVAJB-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED CN(CC(=O)OCCn1ncc(C#N)c1N)S(=O)(=O)c1ccc(Br)cc1 729807934 ABNUXSDNCCAFTE-UHFFFAOYSA-N 442.295 0.963 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC 734566149 AKQAGXVVFQEUPH-SFHVURJKSA-N 433.442 0.624 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1 737268791 SRTXSGUKFSHVBR-CJLVFECKSA-N 438.506 0.096 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742698331 QSPCLQIXXYBRCO-MCIONIFRSA-N 427.548 0.976 30 20 ICED CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 744618249 SIIDKFGFINNADN-HNNXBMFYSA-N 437.474 0.958 30 20 ICED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cnc2n(C)c1=O 746941890 LMYYDEAJMHRUPA-UHFFFAOYSA-N 427.804 0.953 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 749689651 HKTGSGTUCCRMEX-NLFAIWHDSA-N 435.550 0.991 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cccc21 755548094 PCKCPZNORUILPP-WCQYABFASA-N 429.433 0.945 30 20 ICED CN(C)C(=O)COC1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 761631520 XQGKKIPSKKJWKB-FXBPSFAMSA-N 437.522 0.820 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCSC 763452553 HIACOFYBFKJGRH-UHFFFAOYSA-N 434.587 0.657 30 20 ICED CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 782106517 JUTSBIINTTXVPZ-UHFFFAOYSA-N 435.488 0.789 30 20 ICED Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 816563534 ATFADDOTYREENC-CQSZACIVSA-N 431.518 0.286 30 20 ICED COc1ccccc1C(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914766893 UNEXDFPJCRCDSV-UHFFFAOYSA-N 442.497 0.718 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCS(=O)(=O)CC1 917139127 RHCZPVIKOUTDIS-HNNXBMFYSA-N 427.548 0.977 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2CC)CC1 917780343 DFNJSYOZTYOPFV-UHFFFAOYSA-N 442.589 0.548 30 20 ICED CCN(CC)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 920786318 FQVJGEMMROLYFI-JWGURIENSA-N 437.522 0.423 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1261112150 OFBIAZHPEXHRON-TZMCWYRMSA-N 432.424 0.850 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1299292659 JLERPNJJHHQROA-QGZVFWFLSA-N 443.533 0.926 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 1322096277 VYILSQUBRLAWNT-QGZVFWFLSA-N 449.577 0.263 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CC(=O)NCC(F)F)CC2)c1C#N 1511664629 YMMUQMNXYJYPPF-UHFFFAOYSA-N 433.467 0.777 30 20 ICED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1)OC 1619606824 CWMVQJZRLKXDCM-QUCCMNQESA-N 442.520 0.911 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1706075494 OSAJSLMLCWPCPG-RKVPGOIHSA-N 426.543 0.776 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1=O 1712477316 POWRQRDRBXMMRO-JOCHJYFZSA-N 442.520 0.899 30 20 ICED CN(C)C(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1729303341 YDAJVDVQNMKLSV-MRXNPFEDSA-N 446.533 0.946 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1751209126 YGBSKNWGJOFWJK-STQMWFEESA-N 434.588 0.840 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778162997 YQNGUCZVQWGGRE-HXOBKFHXSA-N 440.500 0.208 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016186 PNQATYVFHXKAAV-ZZAWEDPDSA-N 442.520 0.955 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779020667 VVZLTUGQBXKXCL-DHNIJCFSSA-N 444.536 0.840 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1ccccc1=O 1779102777 IYBTWETVTLJOJX-WRJVNZQQSA-N 446.504 0.768 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779140222 VJCQNAIJNBGIRS-XXTAFAAKSA-N 442.516 0.929 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(=S)NC)C2 1779336768 UPINGIGYJZLBKX-WHSLLNHNSA-N 440.610 0.557 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168187 FTSINDFNIYSWAQ-NYHFZMIOSA-N 428.489 0.925 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2cncn2)CCO3)c1 1780173648 BCUPGOUGMOWDHK-AOMKIAJQSA-N 438.488 0.938 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)ccc1F 1780756773 TZIREXSWJMAJAN-WIYYLYMNSA-N 441.467 0.440 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1780803196 ZZVISRMGJFLWOV-DRSNIGMVSA-N 448.520 0.616 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)cc1C#N 1781320911 UNIUDOVYQKNMHP-JOCHJYFZSA-N 431.489 0.798 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cccn3)C[C@@H]21 1783529065 BDAQGPSBUGLYKD-OOAFSNHKSA-N 429.521 0.357 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783904873 CYSHYLQANFLSHF-JTSKRJEESA-N 437.537 0.896 30 20 ICED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784375813 AVBCMTIDBSRQJE-MOITWDCXSA-N 432.521 0.985 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1785571147 ARMAMUCLADWSMK-VFNWGFHPSA-N 431.493 0.770 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3COC)[C@H]2C1 1787722819 URECSKDRHLZAJK-XIRDDKMYSA-N 435.477 0.924 30 20 ICED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788531805 OAMSIKWABPQFMK-YAYBPQFFSA-N 445.394 0.784 30 20 ICED O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)NC1CC1 1788678778 QQYJRUPQZNXVFF-RBRYJTFRSA-N 428.489 0.513 30 20 ICED COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1OC 1791072331 DECLGRDGYXMWFK-ZWOKBUDYSA-N 444.484 0.704 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1791440095 QAUBPZWZSBUBGY-ZWOKBUDYSA-N 441.532 0.804 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1cccn1 1791640814 DVHRBQNPDQHDFO-OMDWCCQDSA-N 433.509 0.953 30 20 ICED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)nn1C 1793133126 XUQCBFIQICYOPX-VPTLXERWSA-N 447.499 0.922 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1793313737 HRYGURMAAPRVJH-DQEVTTJGSA-N 448.545 0.398 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)c1ccc(O)cc1 1795391148 OBSAKDFZLZGGGS-UGLIKIROSA-N 439.512 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796873188 BIMDDURUPHWVQJ-SITFXYMJSA-N 433.534 0.285 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797768466 JROMSUZVFCLOIX-XCRNZQRYSA-N 434.500 0.981 30 20 ICED COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1798245299 OMHGQVXOHNALTN-ALXJQNPVSA-N 429.521 0.884 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1799303570 IMZGHZVCWWGQRO-JLVBRIDZSA-N 427.461 0.442 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)c[nH]2)CC1 1799421244 XGKDTWHPQSGDLF-BJWYYQGGSA-N 433.534 0.810 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1c(O)cc(O)cc1O 1799658197 BXMGYAYXYNCUIF-JNCFIYBGSA-N 429.429 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799926868 ZQKCKOUMDOYPRL-GPZUZGHKSA-N 428.533 0.884 30 20 ICED 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)C1 1801561775 WLUQILKIEBVVCA-XMTFNYHQSA-N 434.537 0.054 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2 1802125525 YKWJDWMJKKPHEL-JYYAWHABSA-N 432.477 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 1804852932 GTVPGFWTLHFBCC-WAYWQWQTSA-N 437.504 0.828 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1806613430 GQNIQPVCPPHYMZ-CVDCTZTESA-N 445.479 0.691 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1808228434 DHUHUAIYHAVOPE-OKZBNKHCSA-N 443.552 0.816 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812524111 DAEICFVFYBZNDV-YQVWRLOYSA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1814439531 NSNFGBTYQFYBKP-IDTUSYRASA-N 440.460 0.185 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1817321001 YZSMPEDEGWJRKU-OAHLLOKOSA-N 441.492 0.609 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1819779319 UVUPLUFXLOVYSK-HYLGSWLWSA-N 443.533 0.784 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC)NC(N)=O)CC1 1823743993 MLTYKXJUDNKSGT-GNBGVQPESA-N 433.553 0.911 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3[nH]nnc3C)C2)C1 1829263206 OCOPLMHIJWJMQN-JOCHJYFZSA-N 436.472 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cn3)C2)C1 1829764817 WXFBIESTEKUGMY-ICTHTSFCSA-N 428.489 0.318 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831187873 JBAMVFNRVLXEGB-OPAMFIHVSA-N 428.489 0.543 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831391723 USGZNYDRJJPRAJ-GAJHUEQPSA-N 444.484 0.453 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1831403042 VPVBBBGQVGARGP-JPYJTQIMSA-N 429.517 0.854 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1832457554 UNZSRSDIEXQWGX-QGZVFWFLSA-N 425.467 0.307 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1832768784 ACBJJYPRRRMRBV-VGOFRKELSA-N 448.520 0.890 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833556619 KRNZESBXYKQJDV-AUUYWEPGSA-N 427.885 0.971 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834395910 OPMANAJDUYNHFF-RNWBSVKLSA-N 435.481 0.019 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(-n2nccn2)c1 1835359788 IMCWCFFKLLQDBM-QFIPXVFZSA-N 438.488 0.950 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c(O)n1 1835521078 XWJPUFNFQGPGMM-KSFYIVLOSA-N 432.521 0.571 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836880016 KDSHZMBMDJGCGQ-WBVHZDCISA-N 440.566 0.538 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1837380310 JGTZLAIBRIMFFF-NJNPRVFISA-N 436.553 0.919 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837396397 CMBXDLNMCTVSKY-UZLBHIALSA-N 440.928 0.566 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)COC(C)C)C3)C2)c(C#N)c1 1839131202 RTVLFIIHBWWDGB-QHCPKHFHSA-N 445.516 0.991 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)ccc1F 1839186789 OGWLMVZYOSTCHV-FQEVSTJZSA-N 445.476 0.862 30 20 ICED Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840040086 NJPWBYILTNTJMR-QFIPXVFZSA-N 432.448 0.611 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063141 RXUGWJRPOKLIOR-OAQYLSRUSA-N 433.461 0.367 30 20 ICED O=C(CCc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840457738 QXUFKDXMCYXAQY-XOBIUNJKSA-N 441.488 0.578 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)c1 1840715453 BNNNRPUBXRIUAU-JTSKRJEESA-N 431.489 0.393 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809505 UQIATWVZZLMSKS-CQSZACIVSA-N 434.493 0.950 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN(C)C(C)=O)C2 1847068932 HVKIZZWQEUMALU-KRWDZBQOSA-N 434.537 0.975 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cn1 108762598 STLGLTGQVJJANL-UHFFFAOYSA-N 429.458 0.993 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 409558613 YLKJYILRTFAYLQ-CYBMUJFWSA-N 436.506 0.997 30 20 ICED CC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437962614 JVWPVBKDHHHDCA-IRXDYDNUSA-N 427.461 0.517 30 20 ICED CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460708164 HRPQPLMFVUDYLB-IRXDYDNUSA-N 438.488 1.164 30 20 ICED CNC(=O)N[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 466935666 WPYSGMKCVZGEGE-CQSZACIVSA-N 427.465 0.458 30 20 ICED CC(C)CN(C(=O)CN1CCOC[C@@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 471237611 DHNVFSHNFUZOTE-KRWDZBQOSA-N 440.504 0.793 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCSC 477264063 DCGRIDYBACZBGM-UHFFFAOYSA-N 435.546 0.986 30 20 ICED CN(CCC#N)S(=O)(=O)NCCN(CCC(F)(F)F)S(=O)(=O)N(C)CCC#N 480692774 KVAXEEQGLGFADT-UHFFFAOYSA-N 448.493 0.011 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 481153977 GLAXCVOXFXZEJX-BBRMVZONSA-N 432.477 0.825 30 20 ICED C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 481798367 UDMXSDVAVSUAGY-SFHVURJKSA-N 440.518 0.956 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 485751388 LGMAECOFLVFOTF-ABSDTBQOSA-N 433.578 0.709 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n1 486512099 JUJVLJRJOIWSDN-ROUUACIJSA-N 435.488 0.887 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(F)cc2C)c1=O 488070082 CEVLVRLLGFKAOA-UHFFFAOYSA-N 449.529 0.137 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 491139317 FLSJTNBKUDZGIR-UHFFFAOYSA-N 429.399 0.408 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 491213100 LJRANEZRMMUKMY-UHFFFAOYSA-N 427.274 0.973 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C1CCN(C)CC1 513047926 VXQQFPRLWFNCOE-UHFFFAOYSA-N 444.557 0.734 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)c1 513625210 OSGCQAFNPQTIRA-UHFFFAOYSA-N 448.479 0.360 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2OC)c1=O 514646279 ZIPFKSDPVXBTCL-UHFFFAOYSA-N 443.525 0.769 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O 526038216 JEBAWQLFSQGNNG-CQSZACIVSA-N 429.473 0.341 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 526135534 AZOSYXSAYJXTAU-UHFFFAOYSA-N 438.506 0.552 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 538077751 DFLAJCSNGDTXMV-UHFFFAOYSA-N 448.505 0.515 30 20 ICED CC(C)(CS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 544762811 OJEJPMKLOMNGKH-UHFFFAOYSA-N 427.548 0.898 30 20 ICED O=C(NCC(F)(F)F)[C@H]1CCN(CC#CCN2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 551448741 GRQNZMICZRVYMK-KBPBESRZSA-N 442.404 0.991 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)C1 555277605 LMQLZAYIOSQKBU-AWEZNQCLSA-N 436.490 0.571 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 556110480 UXNZENPENXBQSO-FQEVSTJZSA-N 427.549 0.386 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(=O)N(C)Cc3ccccc3)CC2)c1C#N 556110580 NQUTVXWATSOQLE-UHFFFAOYSA-N 437.504 0.024 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1 570401487 UKUVVXHIOJMHTJ-PKGKOHQSSA-N 430.468 0.703 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1c1ncc[nH]1 570544245 RPRMPORMSKZTBI-RBUKOAKNSA-N 449.515 0.798 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 572184103 MXHZICHQWCSLLJ-UHFFFAOYSA-N 434.500 0.755 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 573947685 FUGGLKJZJIQSPR-KRWDZBQOSA-N 435.554 0.446 30 20 ICED COCCCN1CCC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587279141 HRKNQTHAMIFSBK-UHFFFAOYSA-N 428.537 0.655 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 609537923 HYJZKNBPDGBLRQ-NRFANRHFSA-N 427.549 0.941 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(CC(=O)N2CCCCCC2)n1 726763783 LZGUVZHZHBHHBJ-UHFFFAOYSA-N 445.505 0.358 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1 729981206 ZFIDIBRNGVAIAG-UHFFFAOYSA-N 436.511 0.810 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CN1CCN(C)CC1 730227393 DFXQSGNICJAPSQ-WMZOPIPTSA-N 435.594 0.892 30 20 ICED CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 731887451 LPTIDTPSPVMGLG-MXLIYFDZSA-N 425.445 0.827 30 20 ICED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732442592 WXURRMNPBZGKEH-HNENSFHCSA-N 449.533 0.840 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)Nc1ccc(F)c(F)c1 741342358 NRPQIAZMHQCQKQ-VHEBQXMUSA-N 436.371 0.479 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744878738 UQJIZZOUKPAZDM-NSHDSACASA-N 445.519 0.451 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 746095293 NVUZOLFPFANAFY-VHEBQXMUSA-N 436.465 0.575 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756888581 BWLODLDOFRDYMD-BFHYXJOUSA-N 434.584 0.923 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 761024542 PJAYWLHFDHYGDF-AWEZNQCLSA-N 443.367 0.712 30 20 ICED C#CCNC(=O)c1cccc(-c2noc(CCNS(=O)(=O)c3cn(C)c(C)n3)n2)c1 761808475 YQBBDEBLSDZNJY-UHFFFAOYSA-N 428.474 0.663 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCOCC)c2=O)cn1 772302692 KBCKFPFVSZYLLU-UHFFFAOYSA-N 439.497 0.656 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc(S(N)(=O)=O)c2)c1 776628642 SNTPZFOQZGCHFJ-RCCKNPSSSA-N 437.503 0.794 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777939472 DMYRHIUWAMUTMF-UHFFFAOYSA-N 434.449 0.631 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2=O)cc1 779992886 KCTLAEZQFMTWMA-QGZVFWFLSA-N 435.506 0.015 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 785072306 AWXLGWGBBIHCGZ-UHFFFAOYSA-N 443.481 0.835 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 786995557 DYHOQQJYLXIWFS-WBVHZDCISA-N 434.518 0.884 30 20 ICED C[C@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCCCC1 789108750 GRYASGZLZOQHAK-IFXJQAMLSA-N 434.493 0.876 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 789187486 ZKMPJTOCODGPBR-JYJNAYRXSA-N 441.554 0.955 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc[nH]n1 789988882 GDQYKJVRYYXAMP-CQSZACIVSA-N 435.387 0.893 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(=O)NCC#N)c1 804821565 SDEFPKAXMAUMDL-UHFFFAOYSA-N 431.312 0.849 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cn1 810457736 NGASLUFNILEZOI-LBPRGKRZSA-N 449.393 0.995 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)ccc1F 915170069 ZRDPQSJMKMFZNR-UHFFFAOYSA-N 433.465 0.874 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1297954588 LFZOKWWQXTZVNO-VWKPWSFCSA-N 446.531 0.614 30 20 ICED COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1300330897 YVEUDPIXJDPIQA-FUHWJXTLSA-N 426.477 0.949 30 20 ICED CCS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1314559560 ZKQDQJJSGXSLIW-QGZVFWFLSA-N 443.533 0.949 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(OCC(N)=O)CC2)c1 1318865029 CLVGKJFKVNSJNC-RELWKKBWSA-N 437.522 0.998 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOCC2)c1 1505317182 JSQUFVRAMVPFHI-UHFFFAOYSA-N 430.534 0.774 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1512409511 PPJVUCNYRZUXRF-MRXNPFEDSA-N 437.504 0.733 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1519207913 QUYWLHSVEXXKQL-UHFFFAOYSA-N 447.565 0.477 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1611677097 IWWAMZQJYAXYNL-WBVHZDCISA-N 439.586 0.475 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CNC1(C(N)=O)CCOCC1)CCCC2 1643744608 SHQYYWNLLBUIKU-HNNXBMFYSA-N 429.521 0.980 30 20 ICED N#Cc1nccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 1651341091 IIPQEOUZDFFIPH-UHFFFAOYSA-N 434.865 0.843 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1696502377 RLTRHRAVGXJHKB-GOSISDBHSA-N 445.549 0.861 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1711074081 SNJJMKWWHUIIPA-MRXNPFEDSA-N 426.506 0.865 30 20 ICED CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748295855 PFQHUDYMILDFNW-UHFFFAOYSA-N 449.585 0.266 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749252715 VIHQUFDHLGKUSC-CMPLNLGQSA-N 431.906 0.910 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCOCC1 1751215611 XVOYULKEIBOCMB-INIZCTEOSA-N 439.586 0.741 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1778976373 XQFKNUIOPLERQP-BTYIYWSLSA-N 431.468 0.885 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)ccc1F 1780395775 YTMGJTBBHJKQNW-NRFANRHFSA-N 428.420 0.864 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c(C#N)c1 1782766364 LGOXAZUYEBHQNE-KSFYIVLOSA-N 438.488 0.792 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1783056299 SFYXYZZGUUPJJG-ZLFGVDQTSA-N 447.532 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783358905 LMIODVLCTJQBNW-KIDWBVPLSA-N 432.433 0.640 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568319 TWVMFOCXFBWARA-JOCHJYFZSA-N 447.488 0.472 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(-c4ccccn4)nc3)[C@H]2C1 1785507538 QYDQAFNVUCNNJT-ZVZYQTTQSA-N 435.440 0.220 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1 1785841537 UNAGZJOMHLZJEV-BVGULUMVSA-N 442.516 0.630 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1787411280 KWWQUXWAVRBSAS-IKICRFKJSA-N 431.468 0.738 30 20 ICED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791311166 KRLMJVPTVDHBGG-IJLQPEGNSA-N 447.458 0.116 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1791440120 UDWVKIZFEGASQZ-ACRUOGEOSA-N 432.565 0.324 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2 1792490322 NGCCXOJAGCWKKE-ASLGKTPDSA-N 433.455 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1OC)C2 1792491357 OZHQLNXGBKIKOK-KULPGCBOSA-N 431.464 0.896 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2 1793345174 NJTKAGKMKILZEU-JRATXPSKSA-N 431.880 0.853 30 20 ICED 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#CC1CC1 1793472088 JGWYFTXISTWIIJ-YVSFHVDLSA-N 432.521 0.807 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(N(C)C)c1 1794294110 XBBSVXDQUOARKO-OSQPQIOTSA-N 427.505 0.209 30 20 ICED CCOC(=O)c1ncn2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)ccc12 1796376776 NZEKKPKOXYJLMM-MUJYYYPQSA-N 438.440 0.851 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797065495 BUSIJRUYUVXIJO-PDOICOKGSA-N 440.500 0.797 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2ncccn2n1 1797380751 RPTCGBLZTOKGQF-UHXXWTPBSA-N 442.476 0.462 30 20 ICED CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818698 ZITABABOPPRYPM-PMPAUPDDSA-N 429.539 0.219 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@@]24C(=O)Nc2ccccc24)C3)c1 1798694961 PCYQJDQBXFEWGV-NNUCYPITSA-N 445.479 1.000 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(OC)c1 1799284633 PVCNCVBAKBNWGB-RCJHGTSTSA-N 430.461 0.883 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1799396748 CWDDBQBBWCTUGM-KMOPNRPKSA-N 445.520 0.590 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccc(O)c1F 1799724321 CEPYRABNXPBGQL-HBJPIVTPSA-N 435.427 0.732 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1801762313 FYRWSXLDJGEFMT-JQAJVKEVSA-N 427.505 0.110 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803666688 YPLUFBAAGRDVCV-SUMDDJOVSA-N 428.537 0.881 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1804963027 RUKIXSCSYOTGTJ-OGWOLHLISA-N 437.456 0.928 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1808441147 UCWAZWCPCJRMRH-XLIONFOSSA-N 442.520 0.437 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1810438658 LQBIKQMVJIOXQK-VDZJLULYSA-N 447.499 1.000 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817974117 AHKGSKCASOBNOX-UONOGXRCSA-N 449.464 0.375 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819368590 WGTVEEYGFACSLN-DLBZAZTESA-N 437.541 0.262 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCS(C)(=O)=O)CC1 1823749308 HSFWXBPBDGZUMH-JTHGQSKGSA-N 439.578 0.899 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829907647 NJCBQZZGPAXEJT-JOCHJYFZSA-N 441.484 0.510 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465617 OEJMXPPLAVHGNB-NRFANRHFSA-N 433.892 0.284 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1832452759 GNABRFIDWOOJOP-RXVVDRJESA-N 434.562 0.327 30 20 ICED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccn1 1832594761 OXDRILLXESFXHM-JOCHJYFZSA-N 428.489 0.783 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)cc1 1833114073 LRNJUMDYSSHRGF-QHCPKHFHSA-N 435.484 0.590 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833289322 HSDCHEFVCDGBIE-FQEVSTJZSA-N 433.597 0.919 30 20 ICED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833520552 ARZCJVULMGJVDM-GOSISDBHSA-N 446.592 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3noc(C)n3)CC2)CC1 1833808910 QFFMPKZQEMILSC-PLNGDYQASA-N 444.536 0.351 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834104760 KVLZCCDRRDWDPW-OAQYLSRUSA-N 425.445 0.674 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnn3CC)CC2)CC1 1834276509 OCLFXOOLMJLSNE-WAYWQWQTSA-N 442.564 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834700740 FCXVZUIGNWTGSD-UFTUAFODSA-N 441.484 0.184 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c([N+](=O)[O-])cc1O 1835359964 RJISRJLDKZWSNB-HXUWFJFHSA-N 448.432 0.683 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652960 WCPVXSJWLCNHCS-KBXCAEBGSA-N 429.543 0.260 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c(Cl)c1 1836481036 MUBXIBLQCPCBHA-RXVVDRJESA-N 430.892 0.810 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1837311688 KSTGASFXQYNKLL-BEFAXECRSA-N 447.454 0.890 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443256 ARYNGMFDONVNGV-OVRHDEQLSA-N 447.540 0.401 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527801 WQFGLEWJRBWAOH-NTUGGBQKSA-N 425.482 0.341 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563668 SVRCQORWUHPWKC-WVYFQRGSSA-N 432.452 0.946 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636505 APMUGTDMGPFRNR-SQBHOSFOSA-N 437.518 0.227 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C1 1837679148 FMANUANPBBBSEN-HNAYVOBHSA-N 431.480 0.959 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837837733 KTSIHCNBDJXUKQ-QRWLVFNGSA-N 438.912 0.773 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1838275936 ZHOPQBWXVPWIBA-HPARJBSBSA-N 443.504 0.765 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838418191 VBIBBCASWACWBB-OAQYLSRUSA-N 444.513 0.630 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1838834026 DYVYEDSLKORQON-IQTGRTGDSA-N 445.476 0.211 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949289 VPNNEQASFUORLD-YLNCNTMDSA-N 438.484 0.487 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1839185403 YLRREGOUHBURLG-IIBYNOLFSA-N 440.541 0.261 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423284 RBEKVZITAOIPOR-FQEVSTJZSA-N 444.879 0.724 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)c1 1839451263 JIAANBPEWQQQNB-AOMKIAJQSA-N 428.489 0.448 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633865 VMDYBWSOXMMBBK-ZJSXRUAMSA-N 436.512 0.622 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1839784759 UUSHSOGWRACYEA-CJNGLKHVSA-N 440.440 0.139 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839889762 OGHQILRIYIYAPM-XLIONFOSSA-N 444.523 0.290 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1)C(F)(F)F 1839892885 IZXUNAQWXHSOEP-SFHVURJKSA-N 439.394 0.918 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840423104 UPSPIXNTRLHMFJ-FGSXEWAUSA-N 433.505 0.896 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1840845193 NGGODQAQEHEZLE-FDDCHVKYSA-N 447.532 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1845187830 YLNFIYRVOUQZAA-AWEZNQCLSA-N 444.488 0.706 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 57569149 PLOLHONHNUXLJK-UHFFFAOYSA-N 447.546 0.654 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 109064463 UBFIOQZDWRIGOX-OAHLLOKOSA-N 432.454 0.497 30 20 ICED COc1nc(N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)ncc1Br 409496771 BVBAJVOCLDXWQE-LLVKDONJSA-N 433.332 0.706 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 409580309 FYRWIWIYSQCQMY-UHFFFAOYSA-N 432.568 0.912 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 430371414 PQSDTQQHHSIUAB-JXFKEZNVSA-N 438.532 0.954 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS(=O)(=O)C1 433661195 UKHXMUJSCOCWNG-GFCCVEGCSA-N 435.893 1.229 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465195343 RPHWZJYQSYTZOQ-OCCSQVGLSA-N 446.537 0.103 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C[C@H](C)O1 466803543 BLDCCTHMLOIGED-IRXDYDNUSA-N 435.550 0.782 30 20 ICED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 471238376 IJQOANUKUZQTGR-ZDUSSCGKSA-N 430.889 0.536 30 20 ICED N#CCN1CCC(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 476421889 DJXNOTRVYVJUDM-UHFFFAOYSA-N 426.564 0.985 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 490984479 FECBQZUTHSWJGE-XLIONFOSSA-N 435.475 0.866 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 497721545 UHCQRFLKMFFWRE-UHFFFAOYSA-N 442.501 0.563 30 20 ICED CN(C)C(=O)COC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(C)(C)O1 501910575 WIRQPXYUQQWYNB-KRWDZBQOSA-N 428.489 0.558 30 20 ICED Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nn1-c1cccc(C#N)c1 502961933 TWYYNBPTNBDWNP-UHFFFAOYSA-N 436.472 0.196 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508880912 NGIGSOSLDNTELX-UHFFFAOYSA-N 445.487 0.965 30 20 ICED C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCCCC1 533480119 CKRKIYMOWOPZJN-QGZVFWFLSA-N 447.561 0.382 30 20 ICED C=CCOc1cccnc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 538193594 CLWHKBCISOHTMV-UHFFFAOYSA-N 431.518 0.923 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541073786 IRBIGQLNZVFLQA-UHFFFAOYSA-N 434.499 0.651 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)C1=O 541941031 GIZFSSIKIAMGEN-AWEZNQCLSA-N 438.362 0.682 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 543369257 XKDMDIXXYRPWBK-DNVCBOLYSA-N 441.513 0.927 30 20 ICED CNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 550500473 DBVWGWUWMRXYNX-IBGZPJMESA-N 433.468 0.451 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 553116351 UJZHTGAIVDMZHW-PTAUBWNISA-N 433.490 0.204 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCNc3nccc(C(F)(F)F)n3)CC2)c1 555945298 RVBBTADWDSUURV-UHFFFAOYSA-N 448.409 0.639 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)cs1 563785804 HVWRQYICZBEGQR-UHFFFAOYSA-N 437.478 0.934 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603989241 ZKFYFCPHPTWMAD-CQSZACIVSA-N 427.526 0.909 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 725764255 LHAHAESXZMIUMD-UHFFFAOYSA-N 441.488 0.961 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 728536296 SPQBURYHXVJCJP-UHFFFAOYSA-N 444.491 0.990 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O 730192915 QFPUXYOMWPEHAD-UHFFFAOYSA-N 431.468 0.561 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 731862717 KNNMZDIIACJFPY-RJCBAWPRSA-N 432.502 0.872 30 20 ICED O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCN/C(O)=C1/N=CC=CC1=O 732153721 NZMLEOOKASESIA-MSUUIHNZSA-N 426.882 0.651 30 20 ICED C#CCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 733163470 LYVQXYCIIZWFPY-UHFFFAOYSA-N 446.573 0.386 30 20 ICED CCc1nc(COc2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)no1 734711549 APRPOLHEHSYXAT-OAHLLOKOSA-N 432.458 0.790 30 20 ICED COCCOC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743942039 WIXCUVNFONYNEA-AEWZPABSSA-N 440.522 0.606 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NCc1cccc(C#N)c1 745357687 VCGCVKSICAKBQM-CYBMUJFWSA-N 433.490 0.435 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 749380366 USFYGBKIPYMKBO-NRFANRHFSA-N 431.468 0.667 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758084546 BGPMYMXHSIMJHF-RHSMWYFYSA-N 431.898 0.577 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 758300622 MEEUZKVKQCIULM-HOCLYGCPSA-N 437.522 0.935 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 761032142 ZBLCOGVTOVRDIK-MRXNPFEDSA-N 436.534 0.664 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1csc(CS(C)(=O)=O)n1 767625429 BAGWRCULGKTYLS-LLVKDONJSA-N 443.528 0.970 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2nc3cc(C(F)(F)F)ccc3n2C)c(=O)n(C)c1=O 771898090 UGAIRNODJIYROZ-UHFFFAOYSA-N 444.395 0.302 30 20 ICED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@H]1CCCO1 775332915 UJVSMXOPYFJANX-IAGOWNOFSA-N 438.502 0.635 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 778768475 JMTRIKBVQLOLLW-JQHSSLGASA-N 445.497 0.632 30 20 ICED CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2nnn(C)n2)C1=O 782822182 QBAJFXSMTUXCGR-OAHLLOKOSA-N 448.528 0.939 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)cc(F)c1O 783856597 FHKSNPDURJIPPV-UHFFFAOYSA-N 449.258 0.394 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)nc2)CC1 791051780 HKEOWKIIMIUYDT-MRXNPFEDSA-N 442.545 0.470 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 793827090 OULPKWHKVUFNIP-UHFFFAOYSA-N 447.467 0.509 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 808346620 IGHOFHGYCLHUAM-RTWAWAEBSA-N 445.564 0.375 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 809600320 FWPLCVFRBJJYCA-IBGZPJMESA-N 428.555 0.730 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)n(C)c1=O 916884182 ZPGNOGGCPRUGMX-ZDUSSCGKSA-N 428.836 0.825 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 918775588 QBFDRMGWIYOEJD-PBHICJAKSA-N 437.474 0.518 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 920200974 URBPBBWVFSSIMF-HNNXBMFYSA-N 435.502 0.681 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286620805 SZIJZJUCPWMILD-CABCVRRESA-N 432.978 0.799 30 20 ICED CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1313927386 KIGSDBYLVXGEAZ-ZWKOTPCHSA-N 430.557 0.155 30 20 ICED Cc1cc(C)nc(-n2nc(C)c(CC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)n1 1342561526 TVORQKSPJXYHGD-KRWDZBQOSA-N 444.517 0.404 30 20 ICED CS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1505144754 KVEICNHFBMQMMT-QGZVFWFLSA-N 427.490 0.904 30 20 ICED N#CC[C@]1(O)CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1557187366 LCFXVZINSWXUSX-FQEVSTJZSA-N 448.501 0.646 30 20 ICED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1664373722 ZOXMFYHZUWVCOR-WDEREUQCSA-N 427.273 0.550 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)COC1 1751278237 UIKXMIQEZFPDRF-CRAIPNDOSA-N 438.554 0.778 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1752319566 QXNCUSXRBBZDAB-FOIQADDNSA-N 446.533 0.750 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1762303472 YEAHBFFPKYHDBA-HOCLYGCPSA-N 438.554 0.750 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1764304803 WERDYPPVQAGBBH-GJZGRUSLSA-N 428.559 0.900 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777782402 KXLNPGXTXRORPP-OPAMFIHVSA-N 442.520 0.758 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(=O)Nc2cc(C)on2)C1 1778070986 KWQHDVACNLBOGB-GSHUGGBRSA-N 446.504 0.864 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708700 NUJUDBXBRBPOME-RCDICMHDSA-N 425.441 0.303 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1778971827 NIVPWRWQXGBAJH-MWTRTKDXSA-N 441.484 0.838 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779408104 VHYDTAZNRRXHTE-NJNPRVFISA-N 449.504 0.689 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1780176320 RTDVJOZXRJPCNY-FQEVSTJZSA-N 433.486 0.828 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1780739303 AGTCHKGFXGAJGY-WHSLLNHNSA-N 439.509 0.072 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1781169640 XOUSQLLYCMHPJF-GSHUGGBRSA-N 437.537 0.894 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1781271701 HONUSPHTELVNIM-QFIPXVFZSA-N 432.521 0.919 30 20 ICED CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1781363597 ZHDJVUWOJJRHHZ-YCRPNKLZSA-N 437.493 0.598 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)/C=C\C(=O)NC5CC5)CCO4)C3)c2c1 1782195160 OOKDZTAZJXRKEX-UZQCKINESA-N 448.483 0.713 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1784439392 WJNWRBGEBGLMOV-OLMNGRFOSA-N 435.612 0.248 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1785572058 IQMXRYNXRJRDNQ-KSFYIVLOSA-N 433.505 0.712 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1786857142 AGDNYSHUKYGGSV-ZQIUZPCESA-N 444.492 0.050 30 20 ICED CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c1F 1786857446 QJSGMRSJHKTPDH-DZKIICNBSA-N 434.516 0.986 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859131 MTBIXKKIDMNHQM-OWSLCNJRSA-N 443.552 0.539 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1787513670 OYUDCOYQCJEHCJ-IBCWIVPQSA-N 431.514 0.603 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1789891709 OVVLDIUARKUKHH-KKUMJFAQSA-N 428.507 0.293 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1791267920 GSAJMSNSIPUCQS-BXWFABGCSA-N 427.505 0.413 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1792173787 JWBSBIRATYUBQM-XSLAGTTESA-N 437.537 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(C)C)CC1)C2 1792484650 UXSYZCKFJPVHGD-TUVZZLAOSA-N 432.565 0.555 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)[C@@H](O)N1CCOCC1 1792944853 DRSNLARKSYNKIL-VQQMMKBISA-N 431.920 0.980 30 20 ICED 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)CC1 1795410015 FJRJLHNNMZKMKL-FZKCQIBNSA-N 436.509 0.419 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN)C(C)(C)S 1795528192 OXDYIFXVGDOFHO-AYRXBEOTSA-N 430.571 0.136 30 20 ICED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)no1 1795598441 GBDKBDORMYTZFQ-CCWDJLKJSA-N 446.508 0.183 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1795600004 OEBLOKTXERDFDX-JLVBRIDZSA-N 445.476 0.785 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795837636 GLAWLQXDZOXRPS-JLVBRIDZSA-N 434.518 0.668 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797777378 WCMPUMGKGPSVAW-DCXXXQMHSA-N 441.532 0.565 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798058693 NEETWHNWDRUFHV-CYGHRXIMSA-N 443.504 0.596 30 20 ICED CCOC(=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 1798267659 UGMOHISTNQCGOY-GIGCEDLESA-N 426.470 0.218 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1 1799375401 WXBOVZHASLWJLU-YGWRDHKESA-N 427.501 0.902 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1 1801766380 HNSDYRSMITVIMB-RUGDWHBFSA-N 448.483 0.720 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992337 GBYZLZDFFZYMLY-WMIGDMCZSA-N 428.489 0.393 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803512930 NGNACTVRDKYOFB-QLEVFDGYSA-N 449.577 0.994 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1806365574 GCJLTNUXWAWIEC-DLBZAZTESA-N 437.585 0.973 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1806620506 VIYZUEZKPIKONV-OEMFJLHTSA-N 448.523 0.790 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1808370092 YZMHJFYIIGBCID-CUWPLCDZSA-N 426.517 0.921 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808869480 SGCRCDHBIQHOIL-QFUCXCTJSA-N 449.552 0.175 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(O)nc2O)[nH]n1 1814437310 RXWZUMUGRYATCA-LMVHVUTASA-N 441.448 0.775 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cncn1)CC2 1819899713 YBALSHFURRLDLI-XDBSWNNNSA-N 433.494 0.876 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1822024828 PCWLXNZNPAKHEM-ZDUSSCGKSA-N 438.469 0.792 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2)C(=O)C(=O)O 1824673807 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C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1OC)CCO2 1838874736 ZFESQZUDCMANHI-AXKGWLQCSA-N 443.500 0.624 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1838950216 NYOHOSHYKQQAJM-JOCHJYFZSA-N 426.473 0.251 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839222336 KOVKHHCQSXFBPE-UTKZUKDTSA-N 435.525 0.528 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839227818 ZDUAEBWCJHWRRR-VMYBJKTBSA-N 434.493 0.956 30 20 ICED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419411 ZKZOUIMADSFQLU-NRFANRHFSA-N 447.467 0.039 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420351 DGFPSJPVIZGBRV-NRFANRHFSA-N 443.435 0.702 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OCc3ccccc3)C2)C1 1839809664 FUYNLEPAVRIIQW-MBSDFSHPSA-N 443.500 0.639 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3cccc(Br)c3)C2)C1 1839809838 NRDBIJSQIKWUJZ-PKOBYXMFSA-N 437.290 0.572 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839843185 SVFGHBBQJPERDT-UZUQRXQVSA-N 446.548 0.955 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840140055 NZUXXIQPWAZXIP-DNVFCKCGSA-N 430.501 0.612 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840163885 QZZWRWLTNVZEFX-DJJJIMSYSA-N 439.490 0.997 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840166138 VPKMJNDLHIIFCM-KKSFZXQISA-N 435.546 0.581 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484081 YBPSKASUDCDVQS-LJQANCHMSA-N 425.432 0.876 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841958660 XKRPIRBNJTZLDL-KBPBESRZSA-N 449.508 0.257 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1842920056 HRVQLENWWQVIHW-UHFFFAOYSA-N 428.518 0.855 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccccc1=O)C2 1847069749 SLYJSPNNKRFODV-KRWDZBQOSA-N 442.516 0.968 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 16776079 UGKXSGDRDWWKIW-UHFFFAOYSA-N 437.481 0.801 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 410100113 OBYDNLXRYVIHHA-OAHLLOKOSA-N 443.323 0.676 30 20 ICED Cn1cc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 435882619 ZKQQIGWEWGRNBL-UHFFFAOYSA-N 439.501 0.839 30 20 ICED Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccc(C#N)o2)c1=O 440390784 JRXNJYAEEWWZFH-UHFFFAOYSA-N 434.433 0.824 30 20 ICED CNC(=O)CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 443617992 YYPVKMHCQYEQOO-UHFFFAOYSA-N 425.449 0.876 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1 446673208 TXBWLAVIUBKPFH-UHFFFAOYSA-N 446.458 0.750 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)c1C#N 472267399 GHLVHXMKCDBCEY-BQFCYCMXSA-N 431.566 0.975 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1Cc1ccon1 480956177 SLHLYUNZRZRVDH-UHFFFAOYSA-N 440.481 0.220 30 20 ICED C=CCOC[C@@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OC 481762292 AMZWOHIYGBMIJC-CYBMUJFWSA-N 446.241 0.881 30 20 ICED C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 481766183 KZTMJTLLJUIWIO-OAHLLOKOSA-N 429.495 0.553 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc1 508059404 QJZLVFYLYWIPLE-QGZVFWFLSA-N 447.561 0.738 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508464213 LASDVDJHNAUYJV-GOSISDBHSA-N 449.581 0.957 30 20 ICED C=CCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508905327 ZKPDZWWWCMQCEK-UHFFFAOYSA-N 443.489 0.729 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508947964 BKEPJXRNDVBYIO-MRXNPFEDSA-N 440.570 0.577 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCC(Oc3ccc(C#N)cc3F)CC2)n(C)c1=O 512821220 BBMKRRBZZGKLOI-UHFFFAOYSA-N 426.452 0.988 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C)C(=O)N4CCOCC4)CC3)cc2C1=O 518415576 GZRKTTPBIZEHMR-MRXNPFEDSA-N 440.500 0.474 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 534833464 CZPNQEMAPXMMFU-UHFFFAOYSA-N 448.549 0.828 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 537037029 KDFSADRMVFMHLO-ROUUACIJSA-N 425.541 0.327 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CCN(C)C3CC3)c2)CC1 539272388 LPGSSBZXTGGSFZ-UHFFFAOYSA-N 427.549 0.708 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 544212485 JCGMBYIARQIZLX-CQSZACIVSA-N 428.449 0.391 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O)OCO2 546782126 PTYUORZDCNAQPP-UHFFFAOYSA-N 443.481 0.251 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 556387937 PHPDRNAVXKRXCU-UHFFFAOYSA-N 425.470 0.570 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 566538144 HDMOLUBUZRTRMN-HNNXBMFYSA-N 438.506 0.404 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 589034868 WQGHYORLVLTLGL-OXQOHEQNSA-N 449.515 0.246 30 20 ICED C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(=O)N1c1cnn(C)c1 610308533 YUFGKVDCYDGAHR-CXAGYDPISA-N 430.490 0.536 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 727010439 YZMFNHSBAUHAMR-UHFFFAOYSA-N 440.441 0.411 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 732156413 MWFNYMNTNZUGQA-WMQDPJMESA-N 438.531 0.852 30 20 ICED CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 741442778 ODDZKEIEEQYOMW-HOTGVXAUSA-N 426.539 0.420 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 747823843 VREOHTGMILINDS-KRWDZBQOSA-N 437.587 0.725 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C#N 752380766 CFXAZEKQBZMJAR-UHFFFAOYSA-N 437.478 0.605 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765842253 UQAHTVQKYUYRNZ-SGRLSNSRSA-N 426.473 0.489 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 768996930 XBJYOUJTBJGHAY-CYBMUJFWSA-N 446.938 0.878 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)c1 778815829 SGKMMHSLWSPTGB-AAMGNDOASA-N 444.517 0.766 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 779079975 VCXWKTGAUJFUQT-FMQUCBEESA-N 434.518 0.964 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1 782130189 GYSPTHZIHIQYNK-UHFFFAOYSA-N 447.448 0.368 30 20 ICED Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1=O 783358658 QAEDSBKCFIRLDL-HNNXBMFYSA-N 428.424 0.707 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@@H](CO)O1 787905321 DSFYVKDQPKVYLX-VABVJXKHSA-N 438.506 0.046 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 798325003 MMJKZBKKMACDGI-UHFFFAOYSA-N 444.513 0.265 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 800778018 WOYFZCQJORVEAF-KGLIPLIRSA-N 444.558 0.804 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 807297411 DCOLPHSVEMOGBI-UHFFFAOYSA-N 437.544 0.707 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(COCCOC)cc2)c1=O 808133882 MNGTVXPFFPVWLK-UHFFFAOYSA-N 439.537 0.734 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1F 914470519 JUHXQVNBJHVJRF-OAHLLOKOSA-N 447.554 0.481 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916240559 NNLAVLWXLRGROX-UHFFFAOYSA-N 440.503 0.923 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1116501061 ABRBSRGSGDUJKK-UHFFFAOYSA-N 444.561 0.872 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1256686511 XVBGTHPZZGNLAL-UHFFFAOYSA-N 449.529 0.318 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286620336 JQBXRIIIBRANJI-CMPLNLGQSA-N 431.906 0.910 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314120503 KKDLFFWZEFLEMF-NHCUHLMSSA-N 432.525 0.919 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1316101275 GDWYRXUWMAALSR-XHSDSOJGSA-N 426.543 0.633 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2COCCO2)c1 1316530073 STDMTEJAGFFYFV-SFHVURJKSA-N 426.477 0.703 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1318103489 FLFQQJUYZUTRQP-UHFFFAOYSA-N 428.493 0.166 30 20 ICED CCN1CCN([C@@H](C)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818306 MPMNRBRCEOXODB-LPHOPBHVSA-N 426.521 0.905 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1360714170 NKSXWFRSXPJTLE-ARFHVFGLSA-N 439.586 0.737 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 1443057977 WTJDTYGMSVSXFB-QGZVFWFLSA-N 442.563 0.061 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1516168479 HZCVAPZASBWQNC-IBGZPJMESA-N 440.570 0.952 30 20 ICED CS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1519613971 PVDSKGXSCFCGCJ-HNNXBMFYSA-N 443.489 0.878 30 20 ICED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541288201 TUZISICHNZMAQN-QGZVFWFLSA-N 428.541 0.349 30 20 ICED C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 1565487821 JAYOEULUMWDFGF-KRWDZBQOSA-N 434.566 0.210 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1746436628 SXCLOUBGIQUCGQ-KSZLIROESA-N 437.614 0.945 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761360521 OHWOGPOQBZKKHS-IXDOHACOSA-N 430.557 0.910 30 20 ICED CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764536823 BSCATAZUHUBALW-KRWDZBQOSA-N 428.541 0.607 30 20 ICED Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1767471054 MXFNIYAGMHKPBK-UHFFFAOYSA-N 426.506 0.680 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1777832142 NSNNGYNMUBKSPC-NRFANRHFSA-N 435.419 0.892 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779063692 SLSPIKQOXWYQCR-QFIPXVFZSA-N 435.590 0.564 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1779103551 WPBOICNUONEZED-RETMYHCQSA-N 433.509 0.955 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779104884 OZGGDIKGOAFUEE-XZYKOBSISA-N 442.476 0.930 30 20 ICED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc(C(F)(F)F)c1 1782033687 HBDVKIKTMLHDSE-GOSISDBHSA-N 438.410 0.504 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666197 HJUUVGRBWJPFBR-XPIZARPCSA-N 434.562 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4nccc4c3)C[C@@H]21 1783531229 JUZPLLBCKOUFER-NDBPDDPZSA-N 437.500 0.786 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1784482833 GZBQBGFXJYETHL-YWMIEGDOSA-N 438.528 0.771 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1788525662 YKLHSVMGQJQEQU-CMOCDZPBSA-N 446.592 0.899 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)c1 1789343154 MBPNBZOBXDUWIN-QRTARXTBSA-N 427.421 0.285 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225779 IOJFCAWYKNSBJH-ZVZYQTTQSA-N 431.468 0.562 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C[C@@H]21 1790793707 TUZASKNIFKBHBO-CVYDXHPNSA-N 428.489 0.235 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079041 XFGFWYCZHHKGND-NUTKFTJISA-N 434.420 0.524 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791894762 IRPLBJDDFWUCCS-CADBVGFASA-N 429.517 0.952 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n(C)n1 1794343916 KQTIXZBUHVCCJE-ZIFADMAISA-N 435.481 0.161 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)ccc1F 1795469707 LQAQRAUZVRAAKY-BBIADKPPSA-N 444.507 0.552 30 20 ICED 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)C#N)C2 1796393309 BXXSPSYBPKEFST-FZKCQIBNSA-N 438.525 0.665 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1797783468 UBFMPWMQDIECGR-XEMDLRDOSA-N 444.557 0.857 30 20 ICED 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 1799365793 WAVAUXQPPJXCDX-HAFSJTIUSA-N 431.555 0.170 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801549 MFJZFMSIEUNXFS-BASYENTBSA-N 439.509 0.609 30 20 ICED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1803921034 QQSHGEKGULUKQE-BCDXTJNWSA-N 446.529 0.873 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1813037314 VTIQYINUPWIBGY-PLQHRBFRSA-N 449.558 0.871 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819707543 XCOFFJBPLFOCOY-CDMKHQONSA-N 435.506 0.226 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819889539 HUELLPUJOHVKOK-FHSNZYRGSA-N 439.538 0.507 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1821661180 KQCIQMZMJOHFSM-XJKSGUPXSA-N 438.444 0.703 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828580514 SZXQVHUIKNGROO-FDDCHVKYSA-N 442.516 0.436 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829753196 PVERCFUDVVIVFL-NRFANRHFSA-N 441.513 0.702 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829881366 ADVXPKWCONFWDT-QHCPKHFHSA-N 442.516 0.489 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830636843 QSKDYYFJAANTPT-QHCPKHFHSA-N 445.516 0.526 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831161370 RKNHYMQSCVVIHO-QWPQOLDESA-N 448.520 0.008 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1831401488 ATGHKPLXHXYVHW-GAJHUEQPSA-N 443.500 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831402275 SPHSWGHHZGLNGZ-UTKZUKDTSA-N 426.510 0.270 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1832457113 JECZFWZSXIJPCC-HXUWFJFHSA-N 436.534 0.865 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834853739 JRZHPWCBALYYIJ-QFIPXVFZSA-N 436.505 0.095 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1)c1ccc(O)cc1 1834977946 CEGRQPBOCBTYIQ-WMZHIEFXSA-N 430.501 0.992 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095765 CKTBKEKWNAUFOF-JOCHJYFZSA-N 446.525 0.401 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677369 PBLKHSUZZUVHGS-OAQYLSRUSA-N 435.500 0.516 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835752418 JRBXBEPHUTUACR-GOSISDBHSA-N 444.576 0.393 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1cnc(O)[nH]1 1835964598 DCMXWHXOFBBLMH-IXOWOOARSA-N 448.524 0.830 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836371302 NHDSREBMRDSHJU-VQTJNVASSA-N 449.640 0.785 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836451109 PIHOZECPVMXTCA-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C1(O)CCC1 1837439666 ZXOHAHWRJVRFDI-AVBGGIPMSA-N 436.553 0.466 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1)C(F)(F)F 1837467353 HACGBGCCNPOMEO-INIZCTEOSA-N 438.472 0.045 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487189 ZQANHUCNSRLPKU-XXBNENTESA-N 434.533 0.733 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649803 LNXDTLVGDYJABK-HSZRJFAPSA-N 443.500 0.556 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)o1 1838950580 PZEAPTFAFQXEDM-JOCHJYFZSA-N 439.472 0.996 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCCN1 1839122352 LBJDVVONFPVMKG-HWPYVSANSA-N 438.525 0.114 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1839175141 QXAKJBWZYFVLTQ-QFIPXVFZSA-N 448.520 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839176042 SDXQDAJGCDTZSS-JOCHJYFZSA-N 447.488 0.174 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1839227603 VLZFBBFSJIWEHY-MBOZVWFJSA-N 436.513 0.172 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839840094 WPXKJQMLKUVRIO-VGOFRKELSA-N 432.521 0.803 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840173223 JWNUTAUXNOKZJP-QFIPXVFZSA-N 428.489 0.523 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840293811 WQROPMRBULFQIH-QFIPXVFZSA-N 425.489 0.993 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841031383 MJIUFVYGJJWPOQ-BTYIYWSLSA-N 449.504 0.286 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)n1 1844354163 ZHNONNWPYGRAGN-OEAKJJBVSA-N 428.537 0.962 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)cc1C#N 1848130532 NTGITQVSRNAFAB-ULQDDVLXSA-N 439.472 0.759 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 10451845 TUDWYQPWFREPIR-UHFFFAOYSA-N 445.501 0.256 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 18392879 QAZJJQXBRKSJRD-SFHVURJKSA-N 426.495 0.257 30 20 ICED Cn1c(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(C#N)c(=O)n(C)c1=O 301492472 PJUHMYVPRXIQAI-UHFFFAOYSA-N 427.896 0.969 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 410175791 DVFHEOSAVPULCX-HNNXBMFYSA-N 426.520 0.009 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 435508926 ZYAWHUPRJXBHNP-HNNXBMFYSA-N 436.490 0.094 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)n1 439973968 FGORVXXIFZJAKJ-UHFFFAOYSA-N 443.357 1.221 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1F 447271327 NENKWOXVGIBCIE-AWEZNQCLSA-N 431.489 0.783 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460701632 XBGXMUQBCNDTDT-UHFFFAOYSA-N 445.505 0.350 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461758998 YAULDOMBOAWWDT-GFCCVEGCSA-N 428.478 0.795 30 20 ICED COC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 469848843 OEUYXPBOKFSDKE-WBVHZDCISA-N 434.518 0.275 30 20 ICED CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 478179709 IXRPPPOVCLOPRI-CVEARBPZSA-N 426.433 0.647 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 480958950 KFKVHFFIQDIHAG-UHFFFAOYSA-N 439.453 0.882 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 481379812 VYMULLSTOMEFQM-AWEZNQCLSA-N 441.510 0.728 30 20 ICED Cn1nc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC(F)F 488639983 RXRQZHRJBRWFHP-ZDUSSCGKSA-N 432.387 0.749 30 20 ICED CC(=O)N1CCN(C(=O)[C@H](C)N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 494487701 RDEGWEGWIYEZAQ-QFBILLFUSA-N 448.545 0.807 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c1 502827885 FXIFOAAFUZMVOY-UHFFFAOYSA-N 434.416 0.703 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 507177331 GYDCNFIMGAIMTF-UHFFFAOYSA-N 445.520 0.826 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 508887027 GPELZJSNESMCIP-ZDUSSCGKSA-N 432.506 0.807 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 511871201 ZJVKAACWWXDOHV-UHFFFAOYSA-N 439.516 0.843 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)C1=O 523313896 JLYPNKRXYYQMID-UHFFFAOYSA-N 440.412 0.821 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O 523381072 VBVJLMGWZXKZQW-UHFFFAOYSA-N 448.863 0.366 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 524282691 FTNUAYMADGQQBR-UHFFFAOYSA-N 442.541 0.459 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 524890342 AKKSMANHGJJFLP-HOTGVXAUSA-N 442.563 0.527 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 532856652 YTZSCGJQZPIXID-HXUWFJFHSA-N 435.550 0.994 30 20 ICED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 533455845 OHGUWEMPCNQYDA-AWEZNQCLSA-N 437.464 0.319 30 20 ICED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 538180462 MFTXVKCKAWOWGK-SJLPKXTDSA-N 449.533 0.210 30 20 ICED C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 542030620 JEKVTBFLUQEKIH-JSGCOSHPSA-N 448.480 0.944 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 551065698 FYFZBCSFCNKBGN-YJBOKZPZSA-N 436.424 0.900 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 559986246 JJMCLCBOHPGBNE-INIZCTEOSA-N 443.485 0.781 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 561429765 UYQCUOMLIIMYBF-UHFFFAOYSA-N 444.473 0.879 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C[C@H](C)O)c3ccccc3)CC2)c1C#N 576073152 MRPRMXBCAICUPK-LPHOPBHVSA-N 438.532 0.920 30 20 ICED CCc1nsc(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 583783699 SGPKRFWJDHOQFC-UHFFFAOYSA-N 434.547 0.989 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 587687936 CHXOWLVKEXPBNC-SJORKVTESA-N 429.521 0.421 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)CS(=O)(=O)CC 588871338 WYBWSTIZILLNFH-MAUKXSAKSA-N 448.545 0.447 30 20 ICED CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609419786 ZTCAZTZNHDYPJX-GOSISDBHSA-N 426.477 0.911 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 610562358 PYSPEAFQKHXFKW-UHFFFAOYSA-N 446.489 0.991 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)o1 732810678 OANDBIPSTXBMFT-CQSZACIVSA-N 428.415 0.598 30 20 ICED C#CCN1CCN(C(=O)CSc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)CC1 749874995 SOZFFEUOOCENLP-INIZCTEOSA-N 427.530 0.840 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc3c(C(N)=O)cnn23)c1 758004515 VSNRMUDPXKHTPU-JLPGSUDCSA-N 441.473 0.893 30 20 ICED C#CCCN1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 760214563 AGLNSIDKIAJSQJ-LJQANCHMSA-N 434.562 0.383 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C(C1CC1)C1CC1 763458061 MCDARVZWDUTUQD-UHFFFAOYSA-N 426.542 0.875 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 768580895 LYJVSVLUVZOOSS-QZTJIDSGSA-N 434.562 0.999 30 20 ICED C=CCS(=O)(=O)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 772718909 ZSRINIMUMXXRAA-UHFFFAOYSA-N 443.503 0.401 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 773942202 BCVPNNXCJQLHGT-CABCVRRESA-N 435.502 0.679 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 774224480 CKPVRYHUUGKZJA-GFCCVEGCSA-N 441.510 0.760 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cnccn2)c1 775203573 SZDAWEVGQCIHHV-ULJHMMPZSA-N 430.490 0.587 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(C)c2)c1=O 779850662 MGHIYUCZWQUTEW-UHFFFAOYSA-N 447.944 0.880 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)n(C)c2)C1 793195258 IEJYEYLEJHCYKJ-ZDUSSCGKSA-N 428.536 0.809 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H](C)C(=O)OC 797282870 OFFGGSRJHFXEAH-AAEUAGOBSA-N 445.519 0.291 30 20 ICED Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 807372693 MQXJJXRKBSIPQX-HNNXBMFYSA-N 429.502 0.768 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc1 807548211 RHRPVNHGKHYUNC-CJLVFECKSA-N 440.522 0.342 30 20 ICED O=C(NO)c1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 807949515 HNMWAZPDNGKTLQ-SFHVURJKSA-N 437.456 0.972 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 894593793 CBZTUVZKCXBIKT-ZDUSSCGKSA-N 447.448 0.820 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)ccc1F 914658902 PCDHDYFHIHAZEU-UHFFFAOYSA-N 427.454 0.138 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1304906025 QGGBXMICCVKBJK-GOEBONIOSA-N 428.518 0.918 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 1322096275 VYILSQUBRLAWNT-KRWDZBQOSA-N 449.577 0.263 30 20 ICED C#CCN(C)c1cnc(-c2noc(C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cn1 1324725657 XDUIOCCSLHITBU-GFCCVEGCSA-N 429.462 0.110 30 20 ICED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1463007923 POPIWYPCMABQCG-UHFFFAOYSA-N 437.547 0.450 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1505315832 SYNSWVUDXYUSSY-RHSMWYFYSA-N 445.542 0.447 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC[C@H](F)C2)C1 1555813322 MOIHQROLCACKLK-JONQDZQNSA-N 442.517 0.478 30 20 ICED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706556245 TZTRVTMBFJCSPE-QAPCUYQASA-N 443.549 0.393 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760300191 BKBYAUUJVQYTPX-GFCCVEGCSA-N 449.375 0.856 30 20 ICED CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1763932893 NBSBSOBDRSFNCD-USXIJHARSA-N 428.541 0.711 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1768246468 VYJLASWLAIKCPJ-MRXNPFEDSA-N 437.547 0.875 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1770412578 KZLVJQNJIKGEJQ-HOTGVXAUSA-N 446.533 0.964 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779107326 QFIZWIDZILBKKK-DTXYYNOZSA-N 449.460 0.776 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)[C@@H]1SC(=N)NC1=O 1779137470 ZLZYJICSIWGWPD-AIANWNMUSA-N 447.517 0.331 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1781964488 YCNKTDFBCMYFQL-HXUWFJFHSA-N 427.440 0.474 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(OCC)OCC)C[C@@H]21 1783532750 DWNRBGNUIPFIEF-QJFPOAGESA-N 437.537 0.614 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnc3C)C[C@@H]21 1783532760 FHFOKGUJLITHHH-FRJKIUFFSA-N 429.521 0.591 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783559127 WSMMINMAOHZLDE-KBJGYGKASA-N 447.488 0.304 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1783566790 IMZLMQXLZNKSKO-HXUWFJFHSA-N 429.385 0.061 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1784013080 GDLBHPQLGYGKSK-MBSDFSHPSA-N 427.501 0.855 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1784535137 VGUTURJYZWCVSG-DWRORGKVSA-N 434.562 0.746 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785571921 HQZYCSQPHYNCEE-QVKFZJNVSA-N 439.509 0.352 30 20 ICED O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788531891 YGYAQWGOGZGGAI-NRQFZQGBSA-N 448.442 0.543 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C(F)F)c3=O)[C@H]2C1 1788798702 QWGCGXSFVHYUSY-OHFALNGGSA-N 437.443 0.875 30 20 ICED Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1[N+](=O)[O-] 1789912649 HUOYSZJWTNRJLW-BQFCYCMXSA-N 429.429 0.513 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790153906 MNFMUJFTZDXXOZ-ZGJAHLKCSA-N 445.472 0.255 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791447092 WIIACDRVBMKNCP-AWEZNQCLSA-N 435.440 0.817 30 20 ICED Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1791668003 LKMYTMIBJNCVHW-LZAHIWBNSA-N 433.509 0.471 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1792920898 TZGIQVDEKIIKPV-NRSFXHEJSA-N 427.567 0.672 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1793349984 URQBNENNOALBAU-NXOAAHMSSA-N 435.521 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793837084 AJYBTHPBVAOCSV-BLDWDKNFSA-N 441.484 0.274 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794403421 HDGFNQXJQWEHIV-XOIINTDNSA-N 434.518 0.379 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)ccc1F 1795451300 PYBJLSAPRFORJO-FAQVEIGNSA-N 428.464 0.452 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c1 1795466609 IGUQFSQANGINAW-RUMRUAAYSA-N 440.544 0.803 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1 1795630628 ILSDUFOLXXPPQQ-RMFSNUHRSA-N 448.564 0.446 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc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c1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1802843643 BALAJWWRDQXQTN-KZRJEWPESA-N 443.552 0.567 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661082 JEMMZXJCYDQPCJ-RGVLZGJSSA-N 440.437 0.655 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1829861657 OBTRYCYVXBPDNZ-KNQAVFIVSA-N 446.479 0.682 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)cn1 1830457568 ANZBKQQNTYDYCU-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1831399248 SZHYADPITLQHAV-LHSJRXKWSA-N 438.427 0.779 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831426013 ZSCUUXVWJKSCGB-UZLBHIALSA-N 436.534 0.616 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831490992 ROQQJRRSAPNQKP-WIYYLYMNSA-N 436.578 0.933 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)nn3C)CC2)CC1 1833463257 DDPRZEAMDVWNQY-MRXNPFEDSA-N 431.537 0.652 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833478213 PZLVSAZTRXJFKD-HNNXBMFYSA-N 445.520 0.951 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(O)n1 1833695858 IDEMDIWBWXVSOK-OGRDWSCISA-N 445.516 0.747 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1835101832 IXTQZLBYVGRZNM-UMESLIDUSA-N 432.480 0.998 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccc1[N+](=O)[O-] 1835349700 QYRLZPUTRCKFAZ-OAQYLSRUSA-N 444.444 0.977 30 20 ICED Cc1nscc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672761 MOJIWQUTSNMLIE-FQEVSTJZSA-N 435.550 0.803 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CSCC(=O)O)CC3)CC2)c1 1836170618 IIVHQGAZSJVHTF-UHFFFAOYSA-N 433.534 0.889 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836450804 GLHOFQCXUQILSJ-JXFKEZNVSA-N 433.534 0.982 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1836592397 MOEQPIHXMYODNV-JOCHJYFZSA-N 444.484 0.815 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837000199 IEPZNWPTLLVHAC-JPYJTQIMSA-N 442.516 0.977 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn5cncc5c4)CCO3)C2)c1 1837079867 ZVLWCQYGDYQWOE-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837398470 BIKXJGCJJBJDEK-AVRDEDQJSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1837398919 KWWPPEDRQFQPTE-VJZCTLPMSA-N 430.567 0.175 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)n2nc(C)ccc2=O)CCO3)C1 1837655255 ACIGMQAXWRHLLU-HSZRJFAPSA-N 444.532 0.709 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838101469 PJJDYVJRXWRTFR-HNNXBMFYSA-N 447.623 0.729 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838193407 DNNIVKBEVXQZMI-HTAPYJJXSA-N 430.505 0.256 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccccc1=O 1838429542 ZQUXMSSKFOTYMA-INIZCTEOSA-N 429.473 0.496 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581746 MSFWTRGVLWVOBP-DENIHFKCSA-N 430.505 0.635 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)CC1 1838774174 LMUTXZGVFIDGSM-HNNXBMFYSA-N 428.489 0.601 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839174285 QTTYYJHQUKBMHK-OAQYLSRUSA-N 434.493 0.157 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186239 HYUDJGPZQCRQOI-JOCHJYFZSA-N 449.479 0.359 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839352135 WLKBANQCNJRSFD-AOMKIAJQSA-N 446.504 0.656 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532704 UYYACMQHQIQMPU-DHNIJCFSSA-N 444.536 0.371 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)c1 1839629917 UVKLULHVDLBEOF-OAQYLSRUSA-N 435.444 0.541 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840020848 OSBLZMABFZEQCN-QYWGDWMGSA-N 441.525 0.293 30 20 ICED CC(C)(Cc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040262 SLRJNOXUCXXNJN-HSZRJFAPSA-N 428.485 0.800 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840161608 VAQNBSGNNLUUTG-VFNWGFHPSA-N 435.546 0.962 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840262838 KOTLUAYCCQHKFU-VGOFRKELSA-N 431.489 0.136 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840346719 LNOOXUOQVIGQRA-CVDCTZTESA-N 448.564 0.920 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379277 HMLJCMZYYHGKQJ-QGZVFWFLSA-N 427.552 0.272 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1840713266 JMPAVDRADXBMDF-NVVBAYIOSA-N 440.500 0.662 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1Cl 1840732552 HZCROJRBRMWLBA-HXUWFJFHSA-N 436.848 0.507 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)CCC1 1840813980 IRESWHUEDCYDRM-OAQYLSRUSA-N 429.477 0.429 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1840843139 XBJYUZIYLOYFEG-NRFANRHFSA-N 447.444 0.792 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879371 SHFZFQKCCTWSRA-LSDHHAIUSA-N 437.541 0.252 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c1ccccc1)C2 1845960300 OVYDEXXDBRLKCB-HXUWFJFHSA-N 438.528 0.928 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnnn3-c3ccc(O)cc3)CC2)o1 31917284 GUXKCADCGOEVHC-UHFFFAOYSA-N 426.462 0.977 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@@H](O)CS(=O)(=O)c3cccs3)NC[C@@H]2C1 305217772 TWDVESPXTMHHGR-ZIAGYGMSSA-N 444.579 0.763 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 409546177 SWULTNZIWWBVTM-LLVKDONJSA-N 440.956 0.177 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CCC1 430974433 ZLPWKSAAALUEBG-UHFFFAOYSA-N 426.523 0.930 30 20 ICED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 433878149 FYVKMUDMBCCTFY-BONVTDFDSA-N 427.280 0.977 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460783046 CWVPLLRWFJMGCN-SJORKVTESA-N 436.582 0.499 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 480320166 UEYWULVWZJGLQF-UHFFFAOYSA-N 435.452 0.893 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 480525832 KMHLUDSYHKQRIC-ZBFHGGJFSA-N 442.563 0.545 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](S(N)(=O)=O)C3)nnc12 484828542 ZBCMGDRRYKUGAU-GFCCVEGCSA-N 448.530 0.212 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)CN1CCOCC1 499058055 RQQCYGVNIHJXKH-KRWDZBQOSA-N 425.283 0.459 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1=O 500339876 HNJDDFZGKNKQBZ-CQSZACIVSA-N 441.469 0.900 30 20 ICED N#CCNC(=O)Cn1cc(I)c(=O)c(I)c1 502439232 FSBXOTMBNWBZMC-UHFFFAOYSA-N 442.982 0.697 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2cccnc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 502943121 BFKGZOWOQUMDSF-UHFFFAOYSA-N 427.486 0.558 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1cccnc1 505635963 KZASDMDTLLKJLU-UHFFFAOYSA-N 434.525 0.395 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2cccnc2)c1=O 505641554 UTFQPVMCECFZNQ-KRWDZBQOSA-N 449.536 0.698 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 509419729 XAYHFCOFUSLVAX-ZDUSSCGKSA-N 445.523 0.599 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1OCC(F)(F)F 511441861 DGQLQAKEIJCEJQ-LBPRGKRZSA-N 435.380 0.368 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)c1 517459452 LEHVBHWNJXCASP-CYBMUJFWSA-N 436.515 0.913 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCc1ccccn1 523574430 NAMNWZYHDILXED-UHFFFAOYSA-N 432.505 0.731 30 20 ICED CC(C)N(CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O 532152889 RUZCXVHONRSNSG-UHFFFAOYSA-N 430.552 0.355 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540552773 IDWQDLSRFXXSNS-RTBURBONSA-N 444.605 0.695 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCOC[C@H]3CCCO3)C2=O)cc1 550164488 FSMVPDMAXBHBQT-RTBURBONSA-N 428.489 0.872 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 566945256 ZXIBPPLPXMPICK-UHFFFAOYSA-N 433.421 0.299 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1F 570358823 QWTNYOMIEUGVSJ-UHFFFAOYSA-N 446.504 0.208 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1=O 582100712 QRSQZRZSMXIOKE-UHFFFAOYSA-N 432.502 0.978 30 20 ICED COc1cc([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1OC 585720673 ZUBIGVIAOJIIHI-GFCCVEGCSA-N 444.492 1.158 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C 588194252 KFTJDRMHRZXFRU-UHFFFAOYSA-N 426.481 0.188 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993733 WBFHSDCKAQKZMH-UHFFFAOYSA-N 436.472 0.770 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 605411915 DFJIUHADAVULMC-KRWDZBQOSA-N 429.521 0.999 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCO2 609765124 JRYXBKAPZFZWBM-UHFFFAOYSA-N 437.481 0.389 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3c(C#N)cnc4c(F)ccc(F)c34)CC2)CC1 610246178 LKLHJIZQAITQRG-UHFFFAOYSA-N 436.488 0.999 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 672221236 FFENZZPZNYEXLR-WBVHZDCISA-N 429.564 0.989 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cnc21 727233425 PSOLIIPVSXHGKZ-GFCCVEGCSA-N 443.261 0.918 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 728347191 DGLCSSKWOZWTTI-LJQANCHMSA-N 427.505 0.303 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 729029700 FBVHYUXRPCRDII-UHFFFAOYSA-N 429.454 0.879 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1CCOC 736585711 WUIZVDOEBWIPBS-UHFFFAOYSA-N 436.559 0.285 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(c2ccccc2O)CC1 741344745 RKVQOJQBMQOBNU-IWKHNONTSA-N 442.472 0.889 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 746642467 YJQCWIJRRQJJAG-KXEGMRRWSA-N 432.458 0.673 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 751957863 MEGKMJLPURBGBR-PEZBUJJGSA-N 435.238 0.938 30 20 ICED COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1OC 752374661 HTXDMNZZAOUROA-HNNXBMFYSA-N 445.497 0.882 30 20 ICED CO[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H]1OC 754010026 QGBBPVGGLJCRGZ-CBXPPRIUSA-N 438.506 0.310 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)n(C)c2n(C)c1=O 754389115 NFOQEBQRQUAZTL-GFCCVEGCSA-N 430.465 0.161 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758077950 VTGCEQIQARJKJO-UHFFFAOYSA-N 425.466 0.357 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 761033338 UXOURJPSAWIGEY-UHFFFAOYSA-N 434.421 0.790 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 761037299 FUDIFXBXOVHSAT-UHFFFAOYSA-N 431.468 0.823 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 761172941 RNJUPWSZQMPYJQ-MWDDYTRKSA-N 426.404 0.590 30 20 ICED CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 781595887 MHAONHSPYQAENT-UHFFFAOYSA-N 427.435 0.998 30 20 ICED CCCCCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 799762000 KJUHGNVLKZHLCS-HNNXBMFYSA-N 430.614 0.421 30 20 ICED Cc1c(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc(=O)n1C 904906592 AIOZZVMZJOGWND-UHFFFAOYSA-N 430.446 0.516 30 20 ICED C[C@@H](NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCCCC1 919318416 HRXLDXAWFDUZDB-OAHLLOKOSA-N 435.502 0.533 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)CNc4ccc(C#N)cc4)CC3)ncnc21 919628293 WSTRJUIZCBJMPM-UHFFFAOYSA-N 434.460 0.539 30 20 ICED COc1cc(OC)cc(N2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1150688698 SNCWTJAIHFCKCM-UHFFFAOYSA-N 427.461 0.967 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H]2CCOC2)C1=O 1251488714 GHTKPFJUQYNTBQ-QARARTDJSA-N 440.547 0.307 30 20 ICED O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1299830100 MUYDUGMKNHGQLW-MRXNPFEDSA-N 426.498 0.890 30 20 ICED C=C(Br)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1300863151 JLSSOMFWFXMGDG-SUMWQHHRSA-N 444.330 0.790 30 20 ICED COC(=O)C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1320093537 ZQHWVDYHZSNWPZ-INIZCTEOSA-N 428.445 0.849 30 20 ICED NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1451486760 OOBZUHQHEBMPNC-NRFANRHFSA-N 426.498 0.771 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1451623159 WCUHTDRYAHQNTD-CZUORRHYSA-N 439.559 0.929 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 1475259624 BIEAUNLQDBROLA-KRWDZBQOSA-N 433.527 0.900 30 20 ICED COc1ccc(CCC(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1598008849 MRQBUIMKLGPHPB-UHFFFAOYSA-N 425.445 0.133 30 20 ICED Cc1cc(Br)cn2cc(CCNC(=O)Cn3cc(C#N)c(O)nc3=O)nc12 1638268055 JHRUKHHZKQIXIP-UHFFFAOYSA-N 431.250 0.898 30 20 ICED CS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712713192 XHFTVOYRNMBILO-QGZVFWFLSA-N 447.540 0.734 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750388120 KEUTVXFHLDVTKU-INIZCTEOSA-N 430.463 0.822 30 20 ICED CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1750531820 QHBWZIBIXCFVFQ-HNAYVOBHSA-N 440.570 0.902 30 20 ICED CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768453633 MPKAITZAYAFXHM-UHFFFAOYSA-N 437.508 0.196 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778138082 PSTFBYJPHWUKRM-MPWIWIEXSA-N 435.521 0.504 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnc[nH]1)C2 1779422739 LWBVGZKGTIBGJU-JNSLRZONSA-N 433.509 0.995 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428842 QENBITRPCYFJPY-KCMSMUTHSA-N 440.497 0.385 30 20 ICED 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COc1ccc([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040002 LJCUIRRHGDQEEM-KSFYIVLOSA-N 430.457 0.343 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1840042781 OGSIGJDOTVZHHD-FQEVSTJZSA-N 446.847 0.146 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077850 ORLSAIGBYOREBM-QFIPXVFZSA-N 440.537 0.316 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c(C#N)c1 1840834367 INCYTJPJCFLBMG-HSZRJFAPSA-N 441.484 0.545 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1841099734 VBUHZGMFCBNQDM-UHFFFAOYSA-N 439.497 0.769 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1844331694 GZGWLXNFTWHQBP-INIZCTEOSA-N 432.484 0.913 30 20 ICED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)OC(C)(C)C 1846935721 GVKGDNFTEFUXSQ-IKGGRYGDSA-N 436.553 0.772 30 20 ICED Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 436232302 ODUBRVIJQUHMGG-UHFFFAOYSA-N 444.469 0.994 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 438050320 SIMVDZPRUSKKAN-UHFFFAOYSA-N 425.511 0.518 30 20 ICED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 438729591 BLXGYJCDUPBUHB-OAHLLOKOSA-N 430.552 0.505 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C(F)(F)F 441732042 SLMKYDQBJXKEKR-UHFFFAOYSA-N 437.378 0.465 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)cc1 442458835 IOPZOVHBCHCXHE-UHFFFAOYSA-N 427.421 0.394 30 20 ICED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447365975 IHKBHYMMXNRRKA-CYBMUJFWSA-N 433.465 1.247 30 20 ICED CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460607537 PQFQXOQXRZRVAU-KRWDZBQOSA-N 437.504 1.541 30 20 ICED COC(=O)C[C@@]1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 464608104 JJSFDIDBFZCISC-NRFANRHFSA-N 443.460 0.767 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 464822653 MZCVMWLOPZUBNR-QGZVFWFLSA-N 435.536 0.915 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCN(CC#N)CC2)c1OC 465142947 CXWSSHYQHSUJAT-UHFFFAOYSA-N 438.506 0.006 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)N(C)CC#N)CC1 481225106 FPXBWARZCUOGGC-UHFFFAOYSA-N 442.925 0.944 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 488676037 PFOSLJCQVFWTTG-UHFFFAOYSA-N 447.561 0.958 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc21 488698308 JXSVUVBPQNOZRQ-UHFFFAOYSA-N 444.448 0.556 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1 488747176 IMWYNAJWZXOGKK-UHFFFAOYSA-N 431.474 0.659 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccnn3C)c2=O)cn1 488991388 ZDNCONAAEYZHQX-CYBMUJFWSA-N 437.481 0.145 30 20 ICED C=CCn1nnnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 505843486 YTFVPUBSWRDXRE-UHFFFAOYSA-N 438.535 0.919 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 522280028 QSGNEKYKOXOWJU-UHFFFAOYSA-N 449.558 0.692 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)n(CCC#N)n1 527095144 VHNIUHRUVODHBU-UHFFFAOYSA-N 447.503 0.914 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)n2)cc1 532431069 DBXQGUZTRDNKSQ-OALUTQOASA-N 437.504 0.896 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCCO1 533883310 KXGIVENKSVDPAP-KRWDZBQOSA-N 445.516 0.884 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 550101602 LEMUUSIPWJBYCG-UHFFFAOYSA-N 432.506 0.506 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 551367066 YINLCSSICYTNST-HNNXBMFYSA-N 436.490 0.629 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)c1 555888807 BJSGUZJPIJDYSM-UHFFFAOYSA-N 436.472 0.616 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(OC(F)F)c2)CC1 556033260 RAOYYMONQVKABQ-UHFFFAOYSA-N 440.447 0.359 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O 561413665 RULARFXLUCXZGX-GFCCVEGCSA-N 445.472 0.042 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1OC 609816320 GTWWGLPFAAIMLS-HNNXBMFYSA-N 438.506 0.791 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1-c1ccc(OC)nc1 610245115 UTXHRNKTJPWRFQ-UHFFFAOYSA-N 447.476 0.432 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 610561793 DAFDKMVAONQSRG-UHFFFAOYSA-N 432.491 0.835 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)Oc3ccccc3)CC2)c1=O 727428653 XACTZMXJSJEQKD-UHFFFAOYSA-N 441.488 0.754 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)ccc1F 733169169 UWCCRPUNHWNHIZ-UHFFFAOYSA-N 440.541 0.820 30 20 ICED C[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742664103 NSACVVIHPKEGKN-JFLJVCDGSA-N 431.474 0.146 30 20 ICED COc1nc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)ncc1Br 746436809 QNBGBRXIZOUOAU-UHFFFAOYSA-N 449.269 0.255 30 20 ICED Cn1c(=O)nc(O)c2cc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cnc21 746915733 JPGDMOIXGJZQMX-UHFFFAOYSA-N 445.395 0.887 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(CC)n2)c1=O 758063035 ZXJVKMWGJWHDDP-UHFFFAOYSA-N 441.582 0.229 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094191 VQXUJHLGMDOZNW-DOMZBBRYSA-N 431.898 0.531 30 20 ICED COC(=O)c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(S(C)(=O)=O)c1 758644778 RJCUZUKBGZLUPP-FOCLMDBBSA-N 436.446 0.525 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1C 766248918 QMZRTRDNYOWARX-VQTJNVASSA-N 434.562 0.326 30 20 ICED COC(=O)C1(O)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 770251530 XCSVVTSEPDNONC-OAHLLOKOSA-N 437.518 0.666 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(F)ccc2C)c1=O 777945282 FAQNWNMGQLMQON-UHFFFAOYSA-N 438.528 0.658 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778821604 GERGRPNMWFOUOE-DYVFJYSZSA-N 431.474 0.697 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCCC1 779314325 YLMLXEPHNKELFB-UHFFFAOYSA-N 447.560 0.913 30 20 ICED Cc1c(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 781593710 JYMSRHNGMQVHSO-UHFFFAOYSA-N 431.405 0.070 30 20 ICED C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)NC1(C#N)CCC1 787617358 DDIDYDXLXGKYSE-LBPRGKRZSA-N 427.504 0.877 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2c(C)cnn2C)c1=O 795197750 QKBLXXUIYOMKAI-UHFFFAOYSA-N 427.530 0.019 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)OC 795399951 BQYVOHSSKJYNLP-GFCCVEGCSA-N 429.407 0.574 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)NCCF 800643521 LGZSNRHLOMZNQY-RDGOFQKVSA-N 441.485 0.028 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)CC1 801149772 COHKOKFBVICEBL-UHFFFAOYSA-N 438.525 0.363 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)CC2)cn1 801292320 NLNWRQSIAUKVGI-UHFFFAOYSA-N 436.457 0.327 30 20 ICED COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOC 802418235 IQGWCHNDRSLONX-INIZCTEOSA-N 432.529 0.889 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 803307024 ZDJRCYOXEYQTFZ-SFHVURJKSA-N 443.548 0.147 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 804014329 SAFLONNEZDOOHD-IBGZPJMESA-N 427.505 0.940 30 20 ICED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 806781184 LOCGLKBVIZFQLU-SLPQRZBJSA-N 435.510 0.889 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 815266608 PZVYLESOZASMMU-HNNXBMFYSA-N 438.506 0.791 30 20 ICED NS(=O)(=O)Nc1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 903419261 UCQZRZPDOMPXCM-UHFFFAOYSA-N 437.503 0.759 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917019695 DKDDJCUSZNVZJT-NZMUHZMNSA-N 434.452 0.843 30 20 ICED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116494000 QUPPTINIRFKMKM-ZACQAIPSSA-N 428.445 0.942 30 20 ICED CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1299801325 JJKJONUHVFVYIK-FQEVSTJZSA-N 446.533 0.704 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1303641217 PVPBNKVSOLRFPH-CVEARBPZSA-N 441.602 0.937 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)O1 1341760864 BSVFXCKTZHYVPL-ULQDDVLXSA-N 427.461 0.515 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(CC#N)C1 1557187878 PVXHSOAXRBOFES-CRAIPNDOSA-N 427.910 0.750 30 20 ICED CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1588158834 ZXGFTEICWUQJJF-SFHVURJKSA-N 448.545 0.665 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1611772520 XWQYLDZOWPDHGK-GJZGRUSLSA-N 441.579 0.745 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)c1C#N 1625299705 NKSVUINHAMSTSN-QGZVFWFLSA-N 431.541 0.800 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1664352685 IXRGOVCJEXSAJY-JSGCOSHPSA-N 435.321 0.897 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)c1ccccc1 1692802018 OBFLZOAQIMUHCK-NVXWUHKLSA-N 433.538 0.753 30 20 ICED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705687182 ZFWZBJCODMUDFR-UHFFFAOYSA-N 430.332 0.669 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1711406617 IXLJBLAWIHILFD-OAQYLSRUSA-N 425.493 0.827 30 20 ICED COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1711637046 KWUFDUWWKCNNPR-WMLDXEAASA-N 434.522 0.982 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1779065516 VWYOFNROOWZDLY-WDRHXJDGSA-N 430.549 0.987 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069750 XBRSYXRLLYYDHH-XXBNENTESA-N 433.549 0.820 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779103760 YKSXVYQDRXESHS-KKRXVXNVSA-N 442.476 0.930 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779201329 JWGLAVHDTMUMKI-OVRHDEQLSA-N 425.445 0.562 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779331274 WFAIGQPAKFQKAM-YGKZAACZSA-N 447.532 0.389 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779499613 NJPLORHHBXPQMD-USOIZYORSA-N 445.568 0.900 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780022346 FQOYXWAJNLGDKY-VKUXZERMSA-N 428.445 0.112 30 20 ICED COc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009634 RIGIQIFADZDRRH-XMSQKQJNSA-N 430.457 0.676 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CCO2)C1 1783892794 GRMHWNVYIWDUGK-ODXCJYRJSA-N 442.501 0.333 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1784020068 ZRVMVDWKOWXSGU-BOCKYXSRSA-N 427.501 0.854 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784458455 HYAMTMDFMHUQJE-JVFQJLJGSA-N 433.465 0.214 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1 1785078330 KCGSTGAFZXRPIG-FHZYATBESA-N 442.516 0.408 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)cc1C#N 1785196760 OIBVYXVEZQRMJQ-AOMKIAJQSA-N 428.489 0.923 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](N)c3cccnc3)[C@H]2C1 1786928904 UJYIMIHRZMTXNK-HAGHYFMRSA-N 444.532 0.961 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659637 QYTJXDMSKBSPJN-OZNDSPCESA-N 438.525 0.362 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)ccc1F 1789907225 NRZWOFQUDNQILO-IEZWGBDMSA-N 426.452 0.511 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(-c4cccnc4)n3)C[C@@H]21 1791075681 LNKGOSLSVHFCGH-ZOBUZTSGSA-N 440.481 0.886 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791234946 WKNAZUCRZRWJBA-FZWBFHRNSA-N 432.517 0.760 30 20 ICED Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1791668004 LKMYTMIBJNCVHW-TUQLCGPMSA-N 433.509 0.471 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792130103 AIMILTFAVFAOIN-BZSNNMDCSA-N 448.520 0.220 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1792835291 MYIHQXSLVCSLNB-CWPLJXCYSA-N 431.876 0.733 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)c1 1793262126 ZQIBQHYCTVURNN-YVWYUNDQSA-N 434.489 0.846 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1793384413 UJUHIOIILNIBAQ-RMHZUWNSSA-N 435.550 0.174 30 20 ICED 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)CC1 1795409629 KPCNAMYTXYZFJH-FSDCSDTHSA-N 446.504 0.458 30 20 ICED 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)NC(=O)c1ccccc1)C2 1797712416 HGQXCJPYHFBCPN-FLNBYBTLSA-N 443.544 0.968 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1797816071 ZWMABPIPOOYFCU-UHXXWTPBSA-N 442.476 0.462 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)nc1 1798259896 KEQIIEGQNFZCLA-KAXDBTLWSA-N 427.505 0.209 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c(C#N)c1 1799237951 QCZDOGIALRISDQ-UPHUGPLXSA-N 442.472 0.151 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1799334890 XZJGSNPHNMYJSW-AJYBTWMASA-N 430.505 0.406 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680576 OWWSTYJZTIMHIO-OWVAZHOYSA-N 427.498 0.010 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799684279 ZNHDZKSCPYZIDI-QVHKTLOISA-N 433.452 0.631 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)C2 1800778588 JJPLJADARHEQRM-OYHTYJOISA-N 430.848 0.436 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Oc1ccccn1 1801363079 YVEKVVBJACFFTQ-HUSXULAJSA-N 428.489 0.297 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCC)C2 1802126999 OVMWUBQALOEHAT-SFNKJDCFSA-N 437.537 0.919 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1802326917 LARRZPZMWHRYHP-LKXIYZJDSA-N 425.482 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)OC)[C@@H]1c1cccnc1 1802482135 MCEIKTNXLJVDTE-MIPIJZKVSA-N 428.489 0.899 30 20 ICED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C#N)c1 1808268304 XGDGLPBTJIQOGE-XJABCFGWSA-N 436.516 0.496 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc(O)n3c2CCCC3)[C@@H]1c1cccnc1 1812880900 NRVPIPZVKVBJJX-FOIQADDNSA-N 437.456 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](NC)C(=O)O)n[nH]1 1817363939 ZDMUTWJDTACJLF-PRQMKSPXSA-N 432.481 0.323 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(OC)OC)CCO3)c(O)n1 1831027867 XJAGYMLSKQGRJU-JOCHJYFZSA-N 449.504 0.595 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831082766 KFBFELBPJHGBMR-NRJQMVOHSA-N 437.537 0.032 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831213816 YQVGOGIWRLQOJH-QHCPKHFHSA-N 426.469 0.941 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1831386871 KMIMJRVMOACODR-VGOFRKELSA-N 433.480 0.648 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1831388516 ZEBARVHCLMIKKC-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1831388733 WUDKRHKVYUHXBV-YCRNBWNJSA-N 444.532 0.486 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1831394080 VXKZGBWFNAAVDN-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831408828 CXQCZSKIIKSHAU-JOCHJYFZSA-N 443.504 0.782 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831490687 IQJKILOEBMGZAO-XLIONFOSSA-N 433.534 0.754 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833749712 JFBRGILNOCFWTN-RHVSLNNASA-N 429.473 0.321 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299027 WWULBPJAWWPZIU-HEXBWUFUSA-N 441.484 0.889 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835660960 HYXJVBMACWRTKV-IRUYWQDXSA-N 435.546 0.943 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1835731522 XHGXIKFCQJNKLI-JJIBRWJFSA-N 429.569 0.926 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836846167 HMFIONKBZSNZSO-MRXNPFEDSA-N 427.567 0.726 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836866494 TYSJWZWLPHZUIL-OAHLLOKOSA-N 436.509 0.128 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c[nH]1 1837528694 NFBOAVZOEXNSDC-XGVOGHQPSA-N 434.493 0.922 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908496 IEGWKASYRKNTEH-AUSIDOKSSA-N 432.517 0.964 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1840043755 RUUZKZCSZSIKKY-LJQANCHMSA-N 426.347 0.262 30 20 ICED CC(C)(C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1ncc(Br)cn1 1846194531 NGDBMLTUDNBCMM-UHFFFAOYSA-N 435.278 0.808 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1847069862 JNKZZRKOHBUXAO-DOTOQJQBSA-N 434.537 0.973 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 409582006 XUJMKYDQNWTSIP-INIZCTEOSA-N 428.536 0.146 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)C2)nc1 427289602 VTZFODHHBQWUJX-OAHLLOKOSA-N 430.442 0.610 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 430415178 DWTMVRWTKNRORU-HOCLYGCPSA-N 442.563 0.382 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 434377457 OBFUARTXMGBTCM-HOCLYGCPSA-N 427.486 0.651 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 435944275 RYPSXOFQAIZCQE-CVEARBPZSA-N 441.462 0.608 30 20 ICED CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438703432 DWCGCBLIZQDGQK-FQEVSTJZSA-N 448.483 1.173 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)cc1C#N 443667243 OVBMSTDRHYDWQE-UHFFFAOYSA-N 440.550 0.935 30 20 ICED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)CC1 460610703 HCAMLKYIXHDQDR-GOSISDBHSA-N 436.520 0.624 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCOC1 461593610 FVMHGVFPBCCABC-HOTGVXAUSA-N 439.524 0.830 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 468143243 ADZYAEZUVSHBSG-QZTJIDSGSA-N 445.545 0.134 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 471163373 VCUAUYHUHXIUJC-UHFFFAOYSA-N 448.545 0.397 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sccc2OC)c1=O 480956084 SBEZTVYTZLNOLK-UHFFFAOYSA-N 447.538 0.715 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)n1 480968869 ZCLOQUHRZWJUEO-UHFFFAOYSA-N 439.497 0.767 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCc2ccccc2C1 481506168 CBEAEPZUWVJJNH-HNNXBMFYSA-N 426.498 0.926 30 20 ICED COC(=O)CCN(C)S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 486986525 JZKBRHBVTCTIGR-UHFFFAOYSA-N 438.485 0.727 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 506666406 SWZNWJKGEKJMEF-RDTXWAMCSA-N 442.497 0.981 30 20 ICED COCCN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 514716902 HWWBSLCBCOBMPS-FQEVSTJZSA-N 434.562 0.338 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(C)c2)c1=O 517227035 SQKTVTPBWVDMFF-UHFFFAOYSA-N 433.505 0.660 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n(CCC#N)n1 532596410 BHNSPFPEXXVGFO-WMZOPIPTSA-N 443.552 0.883 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCCO1 534602865 AMUJWFLVNVROAL-MRXNPFEDSA-N 445.566 0.902 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2[C@@H]2C[C@H]3CC[C@H]2C3)CC1 537070540 HWBXFFQZZHDPBX-OKZBNKHCSA-N 428.537 0.938 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2)c1=O 537830945 SNMZNZDRDKBEKG-FQEVSTJZSA-N 445.483 0.746 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)CC)CC2)c1 541754542 SEQBSRBYWKUPTR-UHFFFAOYSA-N 429.564 0.942 30 20 ICED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 541959914 JBHNQBIZSODRBK-UHFFFAOYSA-N 443.485 0.037 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n(C)c1=O 543857066 WGUWNWBOKRYJTF-UHFFFAOYSA-N 436.407 0.659 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C 544081720 WQDLECDAHBOHHL-UHFFFAOYSA-N 436.877 0.664 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 550375818 VMFAGUVDJNKNCR-UHFFFAOYSA-N 429.569 0.262 30 20 ICED C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CN1CCN(C)CC1 551151761 MYHHFPQSWOQLTC-IBGZPJMESA-N 428.581 0.448 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 559671347 YCJDMSQVUBDLOW-UHFFFAOYSA-N 442.438 0.690 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 559782818 AWHKGYSDTHMCAA-HNNXBMFYSA-N 448.520 0.336 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 576537697 PONWLDWFROAWRO-ROUUACIJSA-N 447.561 0.692 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588865192 YVZZMJUIMDGWSR-IBGZPJMESA-N 447.499 0.617 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911799 PXDNIAXUBOIYMV-UHFFFAOYSA-N 438.431 0.443 30 20 ICED Cc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c(C)c1S(=O)(=O)NC1CC1 610148973 GLFGXYAVFUNSCM-UHFFFAOYSA-N 433.534 0.787 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)nc1 727410632 KVCJSPAISDNEEP-UHFFFAOYSA-N 425.470 0.883 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 729281968 ULOOKRRGAYICIJ-IBGZPJMESA-N 446.573 0.371 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O 729672969 ASQYCOGJYNQLNU-UHFFFAOYSA-N 431.539 0.068 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(O)c2)CC1 747813103 HVVBOWGQZFUIHK-UHFFFAOYSA-N 429.454 0.954 30 20 ICED C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749669655 HQMZBXREKFQWKF-SXNXEAAASA-N 433.494 0.234 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OC)cc2OC)c1=O 758068386 KFHQHOHVZXPTNK-UHFFFAOYSA-N 425.510 0.980 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1 767682764 XLPLSFSKLUPDOU-NSHDSACASA-N 443.441 0.989 30 20 ICED CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 769542658 ZOLOYIZIGXYYTQ-OAHLLOKOSA-N 444.513 0.793 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cc(Br)cn(C)c1=O)c1cc[nH]n1 772344863 QQJGYORXCHTXNL-UHFFFAOYSA-N 426.227 0.793 30 20 ICED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775527432 XYDJUOSPLSCJDT-CQHJRZBDSA-N 426.495 0.935 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782424458 ZMUNWVPQQRSSLJ-UHFFFAOYSA-N 443.441 0.921 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OC2CCN(CC#N)CC2)c1 782614268 BQWPHMKLCFDXPL-UHFFFAOYSA-N 436.534 0.978 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 782694867 YDIUVIRGMGKXTO-UHFFFAOYSA-N 434.319 0.522 30 20 ICED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785081662 OIVQUDRIUVWXAW-ZOAKPAGHSA-N 449.533 0.565 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cn1 785131172 PPTOKQOBVSXVSR-AWEZNQCLSA-N 431.250 0.807 30 20 ICED Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)n1-c1ccc(C#N)cc1 787999443 PSHLFJFNHHGKTM-LEWJYISDSA-N 442.541 0.882 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCCC3)c1=O 793469553 RDMSPQYSDLBSOW-UHFFFAOYSA-N 428.539 0.364 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCN2CCc3sccc3C2)n1 793867438 PSSYHANDTFZRQC-UHFFFAOYSA-N 429.546 0.727 30 20 ICED C#CCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 801156296 NDPXGEHAJIHCKX-UHFFFAOYSA-N 436.509 0.070 30 20 ICED CN(C)c1c(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c(=O)n1C 814065621 LXSYHILSDWMXCT-AWEZNQCLSA-N 429.452 0.730 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 838287340 AQPIMJWKDHQUJH-UHFFFAOYSA-N 447.513 0.520 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCOCC1)c1nnc(N2CCOCC2)n1-c1ccccc1 917504819 QTESGMAWBVOBFJ-GOSISDBHSA-N 438.488 0.919 30 20 ICED CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)o1 920097736 QNGRBLABHNIAHY-CQSZACIVSA-N 428.488 0.756 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCCS1(=O)=O 1290865671 VMDMRGDSIYBGEF-ZBFHGGJFSA-N 430.538 0.931 30 20 ICED CN1CCCN(CCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1328355684 KAONVIATRBUVNI-IBGZPJMESA-N 426.521 0.907 30 20 ICED CC[C@H](C)[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(=O)NCCN1CCOCC1 1356422787 DFGDHRKFXXZMJN-XJKSGUPXSA-N 435.550 0.974 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCCN3CCCO)CC2)c1C#N 1492727911 MDOKKHHDTQFKQN-GOSISDBHSA-N 427.557 0.674 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1502729248 MWIZAOJMCIOSGJ-DYESRHJHSA-N 434.541 0.770 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CCO1 1504724078 ZTZDRZCXQVTMCG-GOSISDBHSA-N 448.549 0.996 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1548329063 XTTFOFMZUMMFNT-GUYCJALGSA-N 427.506 0.343 30 20 ICED COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1619648685 KZEYWBQRIWVUBL-HOTGVXAUSA-N 439.538 0.352 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1730761160 JXGHZZHVRHDAAU-HNNXBMFYSA-N 434.526 0.383 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778556230 LIUZXVKFKXTZNW-OAQYLSRUSA-N 432.477 0.619 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779101157 HZNIKNMVEBFSNO-PEAZMPFGSA-N 442.476 0.702 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)c1 1780344695 WEPKERZUZSZKAK-VGOFRKELSA-N 439.472 0.238 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CNC(N)=O)C4)c2c1 1781207393 RHGPNVHUPVSVCR-IIBYNOLFSA-N 439.476 0.230 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1781692564 YNMXCJOEKNQBRN-QNFHRHJVSA-N 435.521 0.361 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)CCO2 1783056272 QSIWUHRBCDNEOG-LJQANCHMSA-N 439.921 0.472 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783612130 PIADUBULIZXKOS-IEGUWTFLSA-N 447.532 0.600 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1784740984 TZFPSWLVUSFYOW-HXUWFJFHSA-N 438.933 0.956 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785554943 GFBBWFKOVPHDDI-IXFSTUDKSA-N 427.501 0.673 30 20 ICED C=CC(=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 1788755887 XWMQERXMPFAUFE-VTCANLHHSA-N 440.500 0.851 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)c1 1789507988 YEVDCQFEXOSIOH-ACRUOGEOSA-N 426.517 0.874 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270640 RJCJTUGKDICWAP-CAIZAGQASA-N 444.488 0.525 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791539915 DTZAKWQQLKSLHD-IHXHSXLNSA-N 447.536 0.028 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)N1CCN(C)CC1 1792559045 KZDNNWFINBDSAU-PIBIMKELSA-N 439.560 0.326 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccncn3)noc1C)C2 1793344445 HICZVUZHPIQOKO-GGXPGOJBSA-N 439.472 0.682 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCNC2=N)C3)c(O)n1 1794823782 PUEMYHUMHFBXQS-BJWYYQGGSA-N 426.521 0.998 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1795599472 LEKFLCCEYGDUSL-BFMVXSJESA-N 445.564 0.259 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nc1 1797812247 OSJCQENCAAZSOR-UHXXWTPBSA-N 432.477 0.822 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798414399 BYAMPYQSDSQDLX-VWPFQQQWSA-N 447.517 0.760 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] 1798594088 PDHDVHCSJGSOGW-VYGYDYRJSA-N 447.444 0.551 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)COc3cccnn3)c2c1 1801350420 ZNBCZMNLHWVQNZ-YVWYUNDQSA-N 447.455 0.507 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1804094865 VRHPTDZIGLTTAT-GHTZIAJQSA-N 446.467 0.825 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1804130271 FIXVLUSYHITDSO-WYADAEROSA-N 428.489 0.226 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806897998 AABDXPPCFNBMQG-KLCWCRIBSA-N 441.532 0.278 30 20 ICED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807112083 FQTOQDZWOBOICE-NFBKMPQASA-N 430.512 0.979 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@H](NC)C(=O)O)sc2C1 1815082136 TXPUUXQQBIQPBA-AAEUAGOBSA-N 438.506 0.627 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1815197911 GJBXNZNQXWNTQI-QFBILLFUSA-N 444.536 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2C)n[nH]1 1820952465 DLVCAWACTWKGOI-GPPWAPFKSA-N 428.493 0.881 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1826893439 AKBCLKZPCYCOIN-KRWDZBQOSA-N 426.583 0.933 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829749384 WYGJIZDOHXOBQB-UGSOOPFHSA-N 425.511 0.241 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1829778564 XZWQZZISMFGIKY-QHCPKHFHSA-N 447.532 0.750 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1830342837 JNXNVAIKAGOUCL-ZWKOTPCHSA-N 436.553 0.708 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831271940 GCBLGIAABMKVKH-SGSXCFNPSA-N 435.502 0.080 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1831398406 ASYKMMFOLXCHOR-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1831424286 GTEOYLSKFPJVBX-SVMVAKDDSA-N 432.521 0.930 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831426821 PJELOLAMHSMWOV-IIBYNOLFSA-N 429.477 0.390 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1831484934 IZOFWJMILXRPNE-VBNZEHGJSA-N 428.473 0.711 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831493649 TZZNVTILOPDWQC-ZRGWGRIASA-N 430.571 0.105 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1832137489 FSHWAFAZNGWGMU-MOPGFXCFSA-N 443.504 0.165 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832760086 YNKCYDFVSXRFDK-QHCPKHFHSA-N 441.484 0.854 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncc(OC)c3)CCO2)C1 1832907987 AVSNOCQFQPEGJD-WZONZLPQSA-N 445.516 0.518 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833293053 XQSHYIXGSWCTEE-YCRPNKLZSA-N 443.529 0.927 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1833467818 BMFNWMICQFRPJE-IRXDYDNUSA-N 435.569 0.304 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3CS(C)(=O)=O)CC2)CC1 1833987940 QYOQSKNVXIEXIR-UHFFFAOYSA-N 432.546 0.445 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnnc4)CCO3)C2)c1 1834031214 JFLNQWTYCQLUJC-NRFANRHFSA-N 425.420 0.871 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767724 QSDPAERLDSUAHE-NRFANRHFSA-N 436.509 0.613 30 20 ICED Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1835843664 VGKHBKGMZCEKPT-NRFANRHFSA-N 448.545 0.494 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836048900 CQCLATCVXXARIE-UHFFFAOYSA-N 446.577 0.680 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4ccccc4=O)CC3)CC2)c1 1836169353 ADIIWIQTIHDWCY-UHFFFAOYSA-N 436.516 0.933 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666706 VWJYHUOHDCWQQF-HSZRJFAPSA-N 434.581 0.459 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836861650 ZSQFBSAPEAWJRS-UXHICEINSA-N 448.608 0.659 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837022277 HOWYZDXBVDPBRC-UZUQRXQVSA-N 438.484 0.738 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837095726 SPANECLGVIITEK-HRAATJIYSA-N 433.509 0.700 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837819533 OWLBSWAMVHMFCC-OAQYLSRUSA-N 433.461 0.367 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1837870046 LKNZENTUHAMKNS-UHFFFAOYSA-N 444.536 0.664 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1838640988 IHYAHPCTOCZXDM-QFIPXVFZSA-N 437.456 0.220 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838733233 USHGXNUEYMFBGG-GSHUGGBRSA-N 444.488 0.546 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839227177 LTQMDFMPGFJJFA-CVDCTZTESA-N 449.548 0.942 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840007537 IHEPRYSKPRLZHY-KSFYIVLOSA-N 448.520 0.613 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840262836 KOTLUAYCCQHKFU-HTAPYJJXSA-N 431.489 0.136 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840583559 VVXJAIMUXAFMPU-NGMJZNPLSA-N 449.596 0.787 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840855077 VITYARYZTCDHRW-MDKPJZGXSA-N 440.541 0.549 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840885528 MWAGKMGXUZWVRL-IIBYNOLFSA-N 441.525 0.833 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841895171 DVAPGDKKWIESNR-KRWDZBQOSA-N 444.557 0.861 30 20 ICED C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1845179575 BYMLXZQQPQJBMY-MRXNPFEDSA-N 447.536 0.865 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)N(C(=O)OC(C)(C)C)C1 1846449732 JENBULPIOJHLDE-ULQDDVLXSA-N 434.537 0.478 30 20 ICED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409596676 LJWXFSUPMXCDKU-IRXDYDNUSA-N 442.925 0.641 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 428774077 UVHMMRNEZLHUNM-SFHVURJKSA-N 428.537 0.465 30 20 ICED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 433347119 KRUAPFJYHDSTLJ-UHFFFAOYSA-N 425.330 0.431 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1Cl 442424170 MVOKZLRICOQEGH-UHFFFAOYSA-N 437.865 0.812 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446534169 YGSFCQCORXWXHT-UHFFFAOYSA-N 429.456 0.728 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@@H]1CCOC1 461338850 CEHVBDNIKIECRP-AWEZNQCLSA-N 443.500 0.899 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 461754385 IOYNLLILUGEHFK-ZDUSSCGKSA-N 442.505 1.103 30 20 ICED CCCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 464863778 ZIJSQEYDZOGFTF-SJORKVTESA-N 434.566 0.675 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465065726 JVXUBVMWZAXSDJ-GDBMZVCRSA-N 428.536 0.326 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 465134254 WOEXQMOPCGMOEE-HNNXBMFYSA-N 432.492 0.740 30 20 ICED CSc1nc(C2CC2)cc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C#N 469487899 MNUZQHQKKLROOB-UHFFFAOYSA-N 441.517 0.655 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)c1C#N 472108556 QBCBRJUVIDUTCE-HXUWFJFHSA-N 433.582 0.640 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCCO3)c2=O)n1 479365457 OGFASLQJWSXKHU-INIZCTEOSA-N 442.541 0.910 30 20 ICED Cn1ncc(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 485425796 JMYMLOSJUIPWAW-UHFFFAOYSA-N 429.911 0.640 30 20 ICED COC(=O)C1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 487686700 TXVIMKDVMJHUQJ-HNNXBMFYSA-N 436.534 0.616 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 491497059 XDBRQZNZZLTPSE-UHFFFAOYSA-N 442.501 0.335 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCO2)n1 494435625 NOJNCZXLFDERIT-GOSISDBHSA-N 449.475 0.273 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 500009461 DIURKROCNBMHAS-GOSISDBHSA-N 438.525 0.377 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 501956799 OMVMOCUAIRDPLL-INIZCTEOSA-N 431.511 0.654 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ncnc3[nH]cnc23)CC1 502727998 KUAUWAFEDMRDEY-UHFFFAOYSA-N 443.514 0.850 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 507425271 PMNNENKQXPSPDM-ZBFHGGJFSA-N 446.533 0.802 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C1CCCC1 509267508 BLLVBJNXVZZFCA-HLLBOEOZSA-N 448.615 0.682 30 20 ICED COCCn1c(N)c(C(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 512821790 DENNRCRAGFFORX-UHFFFAOYSA-N 445.451 0.914 30 20 ICED N#C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@]12C(=O)Nc1ccccc12 513986101 WLHMYXRUWPPEAH-NYHFZMIOSA-N 435.488 0.826 30 20 ICED Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 514060709 RNJLGNVCWQUGPO-UHFFFAOYSA-N 428.536 0.198 30 20 ICED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nnc2n1CCCCC2 520164696 CVIRUDUCCSTKOH-INIZCTEOSA-N 442.501 0.615 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 537009275 KGGQUQQBOYLOKS-UHFFFAOYSA-N 428.449 0.475 30 20 ICED COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 540983087 RRWXKVMAJDXOAL-GFCCVEGCSA-N 426.408 0.950 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1Cc1ccon1 544639361 DMWYEIXGUULIKJ-UHFFFAOYSA-N 425.426 0.412 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)c1 550564527 LKBDEGDAWJVNSD-UHFFFAOYSA-N 435.488 0.150 30 20 ICED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 555248907 AFRRUPOBQGEEHK-OAHLLOKOSA-N 448.528 0.045 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)c1 555783500 KWHMUEZEHPGJBQ-NRFANRHFSA-N 448.527 0.792 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCN(c3ccccc3C#N)CC2)c(S(N)(=O)=O)c1 561190363 UKRDEVDCVPUIOK-UHFFFAOYSA-N 449.558 0.783 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3nccn3CC(F)(F)F)C2=O)cc1 561239846 FBIWKSARUCRDMQ-OAHLLOKOSA-N 448.405 0.851 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 570611143 UHJTXPIPCPVVOS-OALUTQOASA-N 428.514 0.588 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)CC1 584223339 CKYVWLGZDMNSQY-UHFFFAOYSA-N 433.597 0.594 30 20 ICED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCCOC2)O1 587659733 XVHCSCICMVTYDS-AOMKIAJQSA-N 427.505 0.835 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 589438597 GBSATNQOMWDVPZ-UHFFFAOYSA-N 426.502 0.899 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C 604270032 NDRQBWOJNXUDSB-UHFFFAOYSA-N 444.582 0.749 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 604526689 CGZPGFCKJUVAGJ-SFHVURJKSA-N 433.534 0.433 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608910990 AQRINLJPRWCUIS-UHFFFAOYSA-N 449.448 0.445 30 20 ICED Cc1ccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1S(=O)(=O)NCC#N 609029378 DUDCTWIWPWDVNW-UHFFFAOYSA-N 432.506 0.312 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)c(F)c1 609467993 FWHUKVXSALDZBJ-QGZVFWFLSA-N 442.495 0.799 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](C#N)c2ccccc2Br)n(C)c1=O 609591211 QPSPSZXTRNKRSK-ZDUSSCGKSA-N 445.277 0.967 30 20 ICED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 609822714 WHUMQCCPMOSMLW-UHFFFAOYSA-N 448.932 0.332 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 610598830 LRHWUYSBPXXCCM-AUUYWEPGSA-N 433.490 0.329 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 612201540 AOZMALPAUVFFRE-UHFFFAOYSA-N 439.472 0.845 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 613093796 NXNAVBIADGHNEV-UHFFFAOYSA-N 446.471 0.709 30 20 ICED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 726106590 QNCOAAPGQRMCTC-GAVQXBFOSA-N 436.559 0.780 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(I)cc2)CC1 728536402 ZFVSIYVECKEUJN-UHFFFAOYSA-N 441.269 0.564 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCNC1=O 729286737 KPRLPOLQEHLUJU-OCCSQVGLSA-N 436.490 0.623 30 20 ICED CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)CCCCC#N)cc2)CC1 734845669 ZIUTZJWFUKUDJN-UHFFFAOYSA-N 429.520 0.806 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 749743384 LMOQFKFVGHCGAE-RYPAHKROSA-N 447.517 0.317 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(F)c2C#N)c1 751073923 BOTOJOHGNFOBBD-UHFFFAOYSA-N 426.451 0.522 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 751877060 ANHWVJMWDAKRGX-KRWDZBQOSA-N 446.935 0.461 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752437533 ITXGWDVRNDPWKG-LBPRGKRZSA-N 441.462 0.679 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnc(C(C)C)s2)c1=O 758067814 IMRHAXNOQJTICA-CYBMUJFWSA-N 430.555 0.777 30 20 ICED C[C@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCCC1 762725015 MKXYLSDYSDAGNP-KRWDZBQOSA-N 431.537 0.673 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccn(C)c3)c2=O)c1 763460979 PFQARUBFDHTUTJ-UHFFFAOYSA-N 446.532 0.875 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771438558 IUVGIQIYASCUJY-YEJXKQKISA-N 446.460 0.714 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774956439 UHOBNMHXPJEZTL-GFCCVEGCSA-N 447.391 0.502 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 781904853 LFXPKHGOEBBGSY-IBGZPJMESA-N 430.505 0.930 30 20 ICED C#CCOCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 784591088 DRQNLYDUODTLAX-UHFFFAOYSA-N 448.545 0.776 30 20 ICED CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 787034697 AZMBYDMOGHACCN-XDNAFOTISA-N 431.514 0.998 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)CC1 787479542 FUQPGHFWOWSQAK-UHFFFAOYSA-N 440.500 0.394 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 794743716 XOSFGMGKXIOAMR-MRXNPFEDSA-N 433.486 0.632 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514443 DUSRFAAPQBKPKB-BUXKBTBVSA-N 439.490 0.385 30 20 ICED CC(=O)N[C@@](C)(C(=O)NCCNc1ncccc1C#N)c1ccc(S(C)(=O)=O)cc1 797711825 PCDUQWYDUVATLO-HXUWFJFHSA-N 429.502 0.936 30 20 ICED C#CCNc1nc(NC[C@@H]2CN3CCC[C@H]3CO2)nc(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 804396575 JWPHAPRKIKXBHN-FCGDIQPGSA-N 442.568 0.467 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807936533 OJCRFBJEAJREPH-NRVVGONSSA-N 438.575 0.885 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 809308093 GCLIHKQKYKYSDF-ROUUACIJSA-N 437.493 0.346 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 810779720 YWGLPLFIVNOPMI-UHFFFAOYSA-N 428.532 0.955 30 20 ICED O=C1COc2ccc(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2N1 821739922 SKKTVIKDQNBTMG-UHFFFAOYSA-N 429.410 0.482 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 825467634 BSOLBSZVQVSPEC-CQSZACIVSA-N 425.463 0.313 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838664220 CAPAWKHLTHUGCN-UHFFFAOYSA-N 441.488 0.427 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916871459 WBUHZPAZLGRTTJ-SFHVURJKSA-N 437.518 0.502 30 20 ICED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1148393288 VRNPQNWSKHWPOC-UHFFFAOYSA-N 438.488 0.901 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1286630076 PZHQVYTWESQRRS-AWEZNQCLSA-N 425.946 0.993 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1296664267 MIHKRKOBWBSBBM-NQIIRXRSSA-N 434.541 0.506 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1300844203 KDEBIDHIPCVTAV-CYBMUJFWSA-N 441.330 0.869 30 20 ICED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1359400837 YVHDEXKASRODTR-IBGZPJMESA-N 436.520 0.292 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)CCO1 1517545976 OTTQTWUDJXBLSM-YJBOKZPZSA-N 428.493 0.962 30 20 ICED CS(=O)(=O)c1ccc(F)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1524445254 WBLLERXRRALQDQ-UHFFFAOYSA-N 425.463 0.584 30 20 ICED CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1611646173 URDYOMLPGIUQHV-OLZOCXBDSA-N 434.469 0.385 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1618815539 PGTKTDAGSSVPRZ-OAHLLOKOSA-N 425.493 0.922 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CC[C@](O)(CC#N)C2)c1 1660073276 XGMMUIFEVUXTTR-LJQANCHMSA-N 437.522 0.656 30 20 ICED N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CC1 1698493813 XZHYIRMZMLWXIO-UHFFFAOYSA-N 429.525 0.893 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(O)CCOC3)CC2)c1C#N 1707808094 ZIHJWGIFMQZLGF-NRFANRHFSA-N 428.541 0.868 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1729397424 SOMRJTOWHYNCQK-QGZVFWFLSA-N 448.549 0.890 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCO1 1767713728 WGFQXIBSUVDVNT-IBGZPJMESA-N 447.499 0.823 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1769065659 USENEVILKCGITH-VGSWGCGISA-N 439.520 0.497 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1779017307 LIJZCYJSZHQENR-DHNIJCFSSA-N 443.504 0.768 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779019410 PCHSCFBQGXYSCT-JHXRPTDYSA-N 425.493 0.645 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779104289 IDZHIVFGDRRBGD-AIQWMZONSA-N 442.476 0.702 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779201690 VTUNMZPTSPWBAE-QIIPPGSGSA-N 433.452 0.776 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1779271943 IQYMHNVPEDESPZ-CYFREDJKSA-N 441.528 0.938 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779408089 VBDFKPFRCPGFLC-NNMXDRDESA-N 436.505 0.799 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1781103132 DEMFZYHFAKQMRG-JBYIUTFZSA-N 445.495 0.418 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782053498 LMZAFEZVBPQLON-FQEVSTJZSA-N 430.417 0.192 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5CCOC5=O)CCO4)C3)c2c1 1782195072 VMRVBVJCHKGNSN-NRFANRHFSA-N 438.444 0.330 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1783767075 STINCTQVRIEINE-VLIAUNLRSA-N 434.497 0.718 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1783896357 YRJQNAPTPCAWCX-ONZODILHSA-N 433.574 0.770 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783912210 OAAUXWYFKFGGBI-FHWLQOOXSA-N 433.530 0.515 30 20 ICED O=C(CN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784280423 PDBBHYHQYSNBMD-BZSNNMDCSA-N 433.505 0.117 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1785572042 HAOYDSJYZKGTHC-JTSKRJEESA-N 443.504 0.837 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1786641280 BNZBQSJRNOIGHA-VDGAXYAQSA-N 431.489 0.823 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)NCc4ccco4)C[C@@H]32)CC1 1786696240 PSJPDJNYWXSGDK-OFBRJHIGSA-N 426.473 0.735 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703263 BRQCVXBRHNNIEC-NXOAAHMSSA-N 437.541 0.512 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788564821 XESPAAKKRIPPMW-XAJHFOFHSA-N 425.530 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1789891566 CZHLXSYYZVLCLR-ULQDDVLXSA-N 432.477 0.345 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)c(Cl)c1 1790231344 RBZZYIAFFZLFNE-KPEUIFRASA-N 430.892 0.941 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1 1791987683 IBKCYYAQXFNBNR-QDQHPCLDSA-N 426.517 0.630 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCO4)C3)cc1 1792557817 FSDNANBQINYJOR-OPMZPASUSA-N 435.484 0.983 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793383911 ICFJELPEWOYHGX-WXHRBMGYSA-N 435.546 0.996 30 20 ICED 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)CN 1795518725 ORBLEAJBIQVBLP-BAGFOUIPSA-N 436.553 0.640 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cc(O)n1 1796378193 PFZYQZNNPSQNDN-RMFSNUHRSA-N 427.501 0.997 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])c1 1796404133 IELHGBFJXHJUHZ-MIFYACCESA-N 440.416 0.715 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1CN(Cc2ccccc2)CCO1 1797247120 VOVOWYNFYAJYEV-KHUIQGCPSA-N 437.540 0.890 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nc1 1797808439 FXLCPZYUFUEBOR-JBXAFTOGSA-N 445.520 0.880 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815003 GQSBGRHXMOHRMF-FJRSDJNYSA-N 438.525 0.410 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797817926 CARBHGHYVHDNQC-YXSRQCCNSA-N 446.504 0.968 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800636355 UWUNSUKASDFOMP-JTJHWIPRSA-N 430.501 0.689 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cc1 1801990318 SMXIOVOHOSJWRG-BCDXTJNWSA-N 441.484 0.818 30 20 ICED C#CCCC(=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 1802016463 JLJRXUJXNDPGDG-KWXDATOUSA-N 449.548 0.607 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1810785177 CACDHCAODBHBIF-HNNXBMFYSA-N 437.493 0.191 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2NC(=O)C3)[C@@H]1c1cccnc1 1812211256 QYDVEDYMPCPNIO-AOMKIAJQSA-N 432.436 0.984 30 20 ICED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)cc1 1822604977 KSVBGWPURFVUEK-ZOBUZTSGSA-N 425.514 0.892 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824528058 SPQZHURMVPRZOL-CFHLNLSMSA-N 442.501 0.170 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807960 AVDQZVCTZVDOBH-JTSKRJEESA-N 441.488 0.487 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465629 OOJRHHGFWYPHBO-AOMKIAJQSA-N 447.919 0.659 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)c1 1830960332 PVJCBGQCKWJEMF-XMMPIXPASA-N 449.511 0.980 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NCCC)CCO2 1831195546 GQULXEHAWFXECX-JOCHJYFZSA-N 439.553 0.732 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1831397558 SINMCQHPGJWELY-ZHRRBRCNSA-N 432.473 0.509 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1831404425 NNJJQBDKSSBAPT-NRFANRHFSA-N 425.526 0.340 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831427695 YIAYMTPNSCXGJU-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1831434497 YHHDSLHYDMIBDF-QGFHRSQPSA-N 436.505 0.377 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831602915 HFXVEGUGHBXSQK-LLTUXLDESA-N 449.529 0.455 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1832462556 NKWIVDLDJDFLQK-KKSFZXQISA-N 434.562 0.890 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1834524520 JACMZFXGNNATTO-OAQYLSRUSA-N 434.493 0.538 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835356762 KPOYFDPZMGNNSK-RTWAWAEBSA-N 428.445 0.481 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4nc5ncccn5n4)CC3)CC2)c1 1836169998 NVPXEWPBEAIHAO-UHFFFAOYSA-N 447.503 0.823 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666707 VWJYHUOHDCWQQF-QHCPKHFHSA-N 434.581 0.459 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(Br)cccc3n1)CCO2 1837187267 XFAAPYZULLPUMW-IBGZPJMESA-N 447.289 0.800 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837241691 PPABAIQAGMMLSL-UFDJTSLZSA-N 439.534 0.314 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837400243 ASDVSPJLKBRGFC-FOIQADDNSA-N 436.465 0.566 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837440841 AVTDKJSBURMQIV-XWRADEMYSA-N 432.525 0.270 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563706 WBRHNTKSYGGEIC-FFCJBUTOSA-N 427.461 0.567 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837882757 LPNYBWOEVLCSJI-YJBOKZPZSA-N 439.557 0.379 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838331766 NFYLUYHOGDPBLU-QHCPKHFHSA-N 436.468 0.504 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838742012 MEUCBJSUKQZDCS-KKSFZXQISA-N 426.477 0.723 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100367 QCZAKJYAHPAQMR-BBTUJRGHSA-N 442.626 0.033 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)CCO2 1839476675 BOVJXPMUHXJSCJ-HXUWFJFHSA-N 440.493 0.875 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487329 BSJDCBMGNXOUPY-QFIPXVFZSA-N 449.471 0.552 30 20 ICED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCC1 1840616912 QJIGOCILUPMVOQ-GQBVICOWSA-N 436.553 0.874 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)CCC1 1840814616 AZCPIRWQCMOOPY-QFIPXVFZSA-N 438.488 0.422 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842188747 CFIJKDWSOJEPCQ-UHFFFAOYSA-N 433.534 0.584 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)c(C(F)(F)F)n1 1842944711 MPMWGFBFBZZVFV-CYBMUJFWSA-N 438.410 0.382 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c(C#N)c1 1845139214 PZECTMALXKQDPA-UHFFFAOYSA-N 434.456 0.515 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1847263102 ZXPDMFXORHIGTA-SMDJPQOOSA-N 428.533 0.838 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847809201 ANCQHCMJZTVVDX-WDSOQIARSA-N 441.532 0.814 30 20 ICED CN(C(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1(C#N)CCCCC1 16162574 SBUAJHODJMHUHM-UHFFFAOYSA-N 430.465 0.052 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 61610080 OSYQVDBUJYQRDV-UHFFFAOYSA-N 449.514 0.895 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409574655 GEYKFBJOJHLSLD-YOEHRIQHSA-N 425.486 0.239 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 410119884 FESULKRUIAVSAT-UHFFFAOYSA-N 429.587 0.407 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](CO)c3ccccc32)CC1 433294443 LZVQZSKLTWMFJT-GOSISDBHSA-N 440.525 0.987 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 433778442 XWKFDZOLSFYHHA-INIZCTEOSA-N 437.522 0.861 30 20 ICED C=CC1CCN(C(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 434587582 NBNPYSJTKBASAI-UHFFFAOYSA-N 425.507 0.983 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 435159542 STGKWLJJJVHOPI-LLVKDONJSA-N 439.437 0.549 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cn1 435849050 XEYRVVWGHACMNZ-UHFFFAOYSA-N 428.449 0.882 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 440259634 LQGOUKUTRCSOLF-QGZVFWFLSA-N 434.518 0.655 30 20 ICED CCN(C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1)C(=O)Cn1cnc(C#N)n1 441424713 QPOCWGHGRBUWBE-INIZCTEOSA-N 432.448 0.019 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 465185313 MAHFCVMLQUWAQQ-QGZVFWFLSA-N 445.483 0.457 30 20 ICED CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472197271 OKBYVQVTMQOWTP-UHFFFAOYSA-N 437.547 0.905 30 20 ICED CNC(=O)c1cc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc2[nH]1 472625244 XSTAHMMEJPKVJH-ZDUSSCGKSA-N 446.471 0.865 30 20 ICED COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(N)=O 474618618 ZKNHSEGAFLAYTJ-UHFFFAOYSA-N 444.473 0.599 30 20 ICED COCCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 476594721 CFFTYZJNBZINMU-UHFFFAOYSA-N 448.545 0.666 30 20 ICED C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 476871053 WDAZERWZNOBWNB-DLBZAZTESA-N 434.562 0.872 30 20 ICED CCc1nc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 481760810 LHPGHWWPZPBJQI-CQSZACIVSA-N 432.506 0.515 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1cccc(O)c1 487336334 RJOBVIDTOVOYPT-AWEZNQCLSA-N 430.486 0.867 30 20 ICED Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1-c1cccc(C#N)c1 503014105 ZSJASALXTGSVNS-RTBURBONSA-N 429.502 0.280 30 20 ICED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508577289 OTMXAFMXNRTOLL-SFHVURJKSA-N 446.533 0.897 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 519907912 QCRSUTYJTWMFOL-CALCHBBNSA-N 435.550 0.146 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3cccs3)c2=O)cn1 522389384 HGFKVZKQQDJCSV-ZDUSSCGKSA-N 443.554 0.831 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 525567075 VBEQCMMNBDLNHC-KRWDZBQOSA-N 430.490 0.224 30 20 ICED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 542072399 GERLEHWKHQYEOU-CYBMUJFWSA-N 428.836 0.988 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545496756 CZJQWZLDPZBMJM-UHFFFAOYSA-N 427.486 0.785 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)c1C#N 554311141 WLCVLBRCDYNUMS-OAHLLOKOSA-N 429.447 0.695 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 554413173 DNKZZGNKSACSCH-QUCCMNQESA-N 442.564 0.855 30 20 ICED Cc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)nnn1CCOc1ccc(F)cc1 556231348 WBZBYDDKXOQCNX-UHFFFAOYSA-N 427.400 0.023 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 558292789 UZELZJCWYFZXKH-CQSZACIVSA-N 436.484 0.467 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 559623072 RKMGIHHUCXCWEG-UHFFFAOYSA-N 427.486 0.322 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 576236933 MZYZESGWGCENQQ-OAHLLOKOSA-N 429.564 0.895 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)n(-c2ncccn2)n1 582995109 HITVGMQHUSHBJX-UHFFFAOYSA-N 437.489 0.895 30 20 ICED CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)NC1CCN(CC#N)CC1 588125498 CZMVVSCWMBFKNG-UHFFFAOYSA-N 436.534 0.422 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 613103401 CXKRWEGBMUGSMD-XJKSGUPXSA-N 447.459 0.430 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@H]2CCCCO2)c1 619861605 TXMWMXUMALJACP-QZTJIDSGSA-N 435.488 0.533 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(=O)N(C)C)c1=O 677123630 KXHCJRCOHXXDQW-UHFFFAOYSA-N 441.557 0.867 30 20 ICED C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 726481675 VIBIYAXXRBDXBM-INIZCTEOSA-N 427.573 0.499 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cscn3)c2=O)c1 726582883 WBEXRCPNCHXRCF-UHFFFAOYSA-N 436.518 0.602 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 729177168 SYPARAYAACJQDN-MFKMUULPSA-N 435.296 0.322 30 20 ICED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737307282 YOKZCCLXLFKXBV-ZZEZOPTASA-N 441.488 0.962 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cc1 743936047 YHPSQJNIKAGOMC-ZOAKPAGHSA-N 448.505 0.021 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1 757234475 VZUBJUBJEOUMOR-VKQKCINQSA-N 448.505 0.021 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 759951474 IOZLSAHOJDIMCS-VHAMKEJYSA-N 443.551 0.784 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 760135846 ZDUHAWFGSJYAOK-JKSUJKDBSA-N 445.524 0.904 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 761038057 RZOGKHAZWIEWQG-UHFFFAOYSA-N 429.340 0.781 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762942404 VPCWUUFLEYENRI-KGLIPLIRSA-N 425.507 0.809 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccn(C)c3)c2=O)c1 763460531 JMXPQWVOSADLKC-INIZCTEOSA-N 446.532 0.873 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccon2)c1=O 765144970 DGCBSEZYNAYJEZ-UHFFFAOYSA-N 440.529 0.572 30 20 ICED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 766560858 BUKFXYWWNKMMBZ-HAPAKVKZSA-N 438.506 0.046 30 20 ICED CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 775430417 OXPUOOISWJKHPG-UVTIVQHFSA-N 436.513 0.363 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C2CC2)c1=O 782576237 XRMLPMWJOVVCJG-UHFFFAOYSA-N 428.539 0.792 30 20 ICED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784782247 BURNINPGIWHATL-JPDJOPTESA-N 435.506 0.127 30 20 ICED CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CC(C)C 789934443 MQZIMLTZHVWUJY-QGZVFWFLSA-N 430.509 0.879 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)n1 790104633 HNISBVFXNFRUPX-UHFFFAOYSA-N 435.462 0.669 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccsc2Cl)c1=O 790428197 RSZVWRHPWWRZSL-UHFFFAOYSA-N 446.985 0.925 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1=O 793987615 UHYXPHBJHIERLN-SFHVURJKSA-N 431.559 0.266 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3cnn(C)c3)c2=O)CC1 794610430 DILJBKKDPPQKPS-MRXNPFEDSA-N 441.557 0.409 30 20 ICED Cc1cc(CO)oc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 801424864 CVFGNUCHJYRCBR-UHFFFAOYSA-N 447.469 0.642 30 20 ICED C=C(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802554306 WOQQSIHWMINHQK-INIZCTEOSA-N 443.595 0.446 30 20 ICED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 807029348 DIUDUZLZRBBRTP-RNODOKPDSA-N 434.424 0.397 30 20 ICED CS(=O)(=O)CCOc1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 810303855 UARWSAIGCHCHML-UHFFFAOYSA-N 437.499 0.899 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3[nH]cnc23)cc1 811835210 VBQXMXRTLUWHRS-LLVKDONJSA-N 428.430 0.448 30 20 ICED COCCNC(=O)CSc1ccccc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813982176 TXDDMPRLQMXZJZ-UHFFFAOYSA-N 434.499 0.927 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 857775372 KDYHOERAJCHJAP-IBGZPJMESA-N 441.532 0.633 30 20 ICED CCN1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1=O 916780397 LMQWEYQUFPCZNT-UHFFFAOYSA-N 432.380 0.073 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917503857 KWVICFKZTCHSLU-MRXNPFEDSA-N 449.577 0.564 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 918738594 BYEIERBQQSIZNY-QHCPKHFHSA-N 447.499 0.964 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F 1212136951 YSAGENGDAHGBPX-ZDUSSCGKSA-N 436.458 0.966 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H]2CCOC2)C1=O 1251488713 GHTKPFJUQYNTBQ-KVLUZXKMSA-N 440.547 0.307 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1288994281 CALGNWZPEKENFC-SFTDATJTSA-N 426.477 0.582 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCS(C)(=O)=O)n1 1304759207 HCGBVBJOLRWRID-GOSISDBHSA-N 446.581 0.751 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3c3ncon3)CC2)cc1 1319905096 YYVKVDLYJISTDL-QGZVFWFLSA-N 431.474 0.942 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1440877816 ODQAKFOPRXDJKH-GUYCJALGSA-N 435.531 0.391 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1C 1540689537 PANACOWCWHYHPZ-UHFFFAOYSA-N 445.501 0.361 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2c(nnn2C)C1 1570816866 JTSDVHALQHSJQQ-BBRMVZONSA-N 430.534 0.942 30 20 ICED CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1611646175 URDYOMLPGIUQHV-STQMWFEESA-N 434.469 0.385 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC1(O)CCOCC1 1611678827 NKIYONPRHLROLG-OAHLLOKOSA-N 440.570 0.950 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1Br 1622633347 MIEQATVFNZAKRH-MRVPVSSYSA-N 426.289 0.759 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741988741 SOSYLPUFBIWKNV-OALUTQOASA-N 436.538 0.080 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1742431148 KJDOHMYQIIRETP-SFHVURJKSA-N 430.534 0.942 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N(C)C)CCOCC1 1750060709 IXGRLRVXTBCSBV-GJZGRUSLSA-N 427.575 0.595 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1767943141 SQDGDUDJCWGQSK-SFHVURJKSA-N 439.520 0.904 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770747725 JJYDLTHLCSDFGS-IRXDYDNUSA-N 441.467 0.456 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771348196 SFNVDYYBVGODBG-DOTOQJQBSA-N 449.558 0.875 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCSC2)C1 1771361029 IWSBIHATIXGYKU-ZQIUZPCESA-N 444.558 0.806 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1778256847 CQZTUWFKQGNGTM-QHCPKHFHSA-N 425.533 0.178 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779110009 XPSYWFSHGONOQU-YNAMOWOFSA-N 438.525 0.650 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780592851 IAQBZIPMIHSFPJ-HSZRJFAPSA-N 433.468 0.827 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780756080 ZTVWBVIAISGUQU-VQPPSCEASA-N 430.480 0.888 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1781689234 SZPHCBWSJHVLIY-VOLVWJTLSA-N 449.548 0.751 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771891 NNDIRSYMLRRRBI-XMSQKQJNSA-N 428.489 0.716 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCN(C)CC4)CCO3)C2)c1 1782056447 CAHNTKZYUPEIQW-DEOSSOPVSA-N 439.560 0.948 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195514 CYOJPLDOXLRHKM-BTYIYWSLSA-N 439.476 0.325 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c(Cl)c1 1782663965 FXBXYNLRPXFCPZ-NRFANRHFSA-N 441.875 0.912 30 20 ICED COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccc1[N+](=O)[O-] 1783039743 QFUGEFIGPJKLJJ-DYESRHJHSA-N 445.428 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](N)c3cccnc3)C[C@@H]21 1783531476 ZVDZBWVPHJPVNQ-GVHVCVEVSA-N 441.532 0.310 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]4CCO[C@@H]43)C2)C1 1783643084 QCXYJVBAXCXITI-QNTYUMOHSA-N 447.532 0.722 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783926877 ILMFAWFAWIJPOI-IRLDBZIGSA-N 436.505 0.131 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C[C@@H]21 1784483029 VOSGUKBXNQXCJN-YFOQYLINSA-N 443.500 0.775 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1785078790 NFPKGUCXBAXKNJ-GRWTVWFQSA-N 442.516 0.908 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785518088 YYPBKEWEHNLPJT-YWZLYKJASA-N 438.481 0.186 30 20 ICED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n[nH]1 1785841133 SLJHSJUVKPXAJC-INXFCDGPSA-N 447.492 0.735 30 20 ICED N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccccn1 1786869891 VSAJPRZBFGUVHI-UCNWTHAPSA-N 425.489 0.773 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1788657026 WQHOFWMLKPYAFE-OTAMJXPLSA-N 431.493 0.528 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789794925 JLTXWBGVPVUGIE-ANULTFPQSA-N 436.597 0.585 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C[C@@H]21 1789891298 LKFOADIAWGHMAK-RABCQHRBSA-N 433.549 0.816 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174091 VPTPZAVDIYMETO-BWJWTDLKSA-N 445.582 0.764 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)CCC1 1792139798 SZVJLILOHNSGIG-MPGHIAIKSA-N 440.504 0.304 30 20 ICED CC[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 1792861357 HPQJMQQUVAUOMT-JLUCKKNBSA-N 426.395 0.946 30 20 ICED 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)CC2)C3)C1 1793082775 WWGXXOBZNGGPQK-YVSFHVDLSA-N 448.520 0.516 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1793349120 GZYCIQIXRRKJJE-VPTLXERWSA-N 434.493 0.884 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1795598204 GUDAELFYDQGMMY-HGKCTWBKSA-N 444.536 0.006 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)CC1 1797234042 ZNLBJSSVCLHNLR-RUMRUAAYSA-N 439.560 0.328 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797728876 KPYXKUTXYZLRAL-AXVVYFOYSA-N 436.629 0.220 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1797783319 LVPPFPOALUQSDS-CWPLJXCYSA-N 437.500 0.860 30 20 ICED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)o1 1799883527 UIDQWVLRZYAEJI-HBCWATKFSA-N 435.444 0.572 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F)C2 1800453915 QKCFMYYXDNRAOY-HGKCTWBKSA-N 437.418 0.800 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1F 1801868946 DUWHRVWAYHNDKS-XOIINTDNSA-N 435.477 0.736 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1801994366 JZHWWPTVSLEUBF-FEJSZKPUSA-N 440.500 0.539 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1802035530 RWRPZFXMIZFPAH-JTJHWIPRSA-N 433.549 0.579 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2 1802124854 JESXREDLJBTVNB-KYHPRHEASA-N 445.520 0.540 30 20 ICED 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)CCN1C(=O)OC(C)(C)C 1802254140 UOYGXPFXYJDIIO-MZZPOWALSA-N 449.504 0.310 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804089106 FGQBPCSRYBZNJQ-GJYPPUQNSA-N 443.504 0.212 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347392 ZQGMEHYILDPSAM-CVYDXHPNSA-N 443.504 0.259 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1810338234 HELMOBLHKSPSHJ-ONTIZHBOSA-N 441.484 0.996 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810359857 CKGYOBQSQYVQAN-AZRDNBMOSA-N 442.476 0.492 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879465 GGKLUFKFSBDAEI-DNVCBOLYSA-N 430.461 0.700 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2nc(O)n3c2CCCC3)[C@H]1c1cccnc1 1812880902 NRVPIPZVKVBJJX-QRWLVFNGSA-N 437.456 0.728 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812883163 VLUBNBGGCKLXFX-BPXKWBHBSA-N 448.479 0.994 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1813177769 TYPWWBDIVYGLIJ-IERDGZPVSA-N 432.440 0.526 30 20 ICED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)n1cnnn1 1813470812 ZVWIHFHADQAOPZ-NJAFHUGGSA-N 439.524 0.617 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1814806533 HALMRMNOCJWAKH-BIMBYPIRSA-N 435.554 0.120 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1815198248 CRECJQYWOMQLLE-OCCSQVGLSA-N 425.449 0.643 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)c1 1819892165 XTSUTCRGEZMLIH-YWZLYKJASA-N 441.513 0.891 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824461821 KFURJUCGNDVAKR-ZBFHGGJFSA-N 427.523 0.022 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827586411 LNBLCYDBQJIMHP-GBESFXJTSA-N 449.596 0.809 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831396443 MPTFMSRKSIRDHV-JTSKRJEESA-N 430.505 0.328 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831409058 JMSQLOIVQOLVNI-HSZRJFAPSA-N 446.548 0.962 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831589609 VYDILQRNRPFQPO-GIXQHCNUSA-N 439.484 0.864 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1832453068 OJIAFOXQPANDTJ-HXUWFJFHSA-N 431.518 0.947 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833145908 BYDFATBUBYNZFH-HNNXBMFYSA-N 426.583 0.788 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833208519 RIUZQYBAUWOSIB-MGPUTAFESA-N 438.912 0.773 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339800 TXXYBYFJVNDFQB-AVRDEDQJSA-N 429.473 0.489 30 20 ICED Cc1nc2ncccn2c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835375235 OQFIFGZQKJZLNK-UHFFFAOYSA-N 438.488 0.311 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811878 GHZWOWRUDHFVPM-XQFWAAQXSA-N 429.517 0.224 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1836859154 RQRVLVQBKUTHGX-CRAIPNDOSA-N 439.509 0.088 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837238302 IMHWBINQVJZBKS-CHJDUVSTSA-N 432.542 0.653 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441037 NWSKGBUJMRGSDP-UQQIOGDDSA-N 446.508 0.027 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837908509 YIFGHDWTYORMHG-NRFANRHFSA-N 435.452 0.800 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)CC1 1838415780 WWSGVQVAJFIIIK-HXUWFJFHSA-N 443.485 0.130 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838672299 RNCFGJHAODMBAS-QFIPXVFZSA-N 447.488 0.675 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(Br)CC4)C3)C2)c1 1838738921 GJAUMADMBONZRC-QGZVFWFLSA-N 437.294 0.884 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838739287 PSZPYKFHLAOLJQ-OAQYLSRUSA-N 440.460 0.459 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1 1839064367 WEHCYRMUDZRLHV-ZJSXRUAMSA-N 425.529 0.836 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839840469 CBSUDJKFTRULCY-PXNSSMCTSA-N 443.566 0.081 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1840040928 FSOSWMFGVCWJEQ-SFHVURJKSA-N 425.800 0.032 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840322016 OQZDCXGIEMSMES-NRFANRHFSA-N 448.451 0.052 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840450286 YZQFFQHTHUVGDV-KGVIQGDOSA-N 431.489 0.344 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840571500 XGZBOUJVZACOPH-JOCHJYFZSA-N 428.489 0.198 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781960 VYZKZIYHNPUCDF-KSFYIVLOSA-N 434.464 0.426 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840840419 RFROAXCPJCDBNC-QPPBQGQZSA-N 425.529 0.913 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058793 FKXDUKDOIBRLKD-AQXNZCSYSA-N 442.520 0.668 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844166111 FQUWMDSZLWZEBE-HNNXBMFYSA-N 449.556 0.650 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1846827077 VTKCJUTVLITOPG-QGZVFWFLSA-N 444.557 0.861 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c(=O)n(C)c1=O 104539800 AHWIXRGAAVKODO-UHFFFAOYSA-N 441.444 0.677 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 410031078 SYDNDHHXSYITOZ-UHFFFAOYSA-N 445.588 0.872 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 410107906 UWVVGAKTHRKNMN-IBGZPJMESA-N 435.546 0.885 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)n2)cc1 429948480 VOTAAEDOSDPQOT-XXBNENTESA-N 448.458 1.558 30 20 ICED C=CCOC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OC 435950482 RGYYCMYLXUKEIX-LBPRGKRZSA-N 434.561 0.960 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 437037640 CHCYKYQYAPITGQ-CRAIPNDOSA-N 437.518 0.743 30 20 ICED N#CCCCn1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c2ccccc21 444823163 CUTWUISNXCKSGU-VQTJNVASSA-N 430.530 0.861 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](OCCOC)C2)cc1 445174723 OYSQPEOHQVIPCW-INIZCTEOSA-N 425.507 0.696 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cccc21 446530749 OITQQJCYVXOYSY-UHFFFAOYSA-N 449.533 0.022 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 465134889 YHKJQZVVHPNRKY-PZPWOCDFSA-N 425.493 0.886 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CCN2CCOCC2)n1 465259396 WXCWAEOTMZCAQA-MRXNPFEDSA-N 425.497 0.620 30 20 ICED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465402048 IDBSVYXCJQPIQR-CYBMUJFWSA-N 437.460 0.991 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)CC2)c1C#N 472203986 CVKSYRLGPHOSQC-UHFFFAOYSA-N 427.494 0.302 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Br)cc2)c1=O 480155472 NJHQJGJYZKUGGF-UHFFFAOYSA-N 436.331 0.958 30 20 ICED CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 485083131 DTVHMSRAYPEBPB-UHFFFAOYSA-N 440.460 0.896 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505152787 MQXRZXQAWHVFAE-KRWDZBQOSA-N 437.460 0.093 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 507968464 CBQJTXJZPLNHRP-LHSJRXKWSA-N 443.460 0.501 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 508902964 MSVJTVLUCAMLJQ-IBGZPJMESA-N 442.520 0.861 30 20 ICED N#Cc1c(F)cccc1-n1ccc(=NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[nH]1 513565713 KGPAJWWARHXPGI-UHFFFAOYSA-N 441.452 0.026 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4cc(C#N)ccn4)CC3)nc2)CC1 514693673 HQYPGOIRJLPTNX-UHFFFAOYSA-N 427.534 0.611 30 20 ICED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 514811721 AJPYHFNJVXVYCG-QZTJIDSGSA-N 425.489 0.639 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cccc(F)c2C(N)=O)CC1 545386015 GQBSVXUGRUIUHH-UHFFFAOYSA-N 446.460 0.708 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 550402010 IVMMCBUQRPCSGI-UHFFFAOYSA-N 441.557 0.771 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 550570640 DCBDGYJSGQHTIP-UHFFFAOYSA-N 448.526 0.573 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC3CCN(CC(F)(F)F)CC3)n2)cc1 569645263 BLIJTHMUXMWDEX-UHFFFAOYSA-N 435.410 1.279 30 20 ICED CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 579304531 GONYSIMEJQQQGT-HXUWFJFHSA-N 436.534 0.819 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cc1 582315833 KELFYGLIKIVSKV-CQSZACIVSA-N 443.547 0.325 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCN(C)CC1 585704753 IFSYMOFLYBBNHM-FQEVSTJZSA-N 441.580 0.426 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589392927 CPQCHSBHMHRBQP-UHFFFAOYSA-N 432.444 0.401 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)[nH]c21 604495496 IMWIXGATGZOOGZ-UHFFFAOYSA-N 438.448 0.381 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1 608911454 GHGFLXBHLWZFRT-UHFFFAOYSA-N 427.482 0.300 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCN(C(C)C)CC4)CC3)CC2)o1 611181248 XCJPRVXOLYCRJZ-UHFFFAOYSA-N 443.596 0.994 30 20 ICED N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 611626458 HUFMMCVMLRELAI-WBVHZDCISA-N 430.442 0.907 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 674335572 SDDAZWFTBHWIJW-LBPRGKRZSA-N 432.506 0.824 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)C1=O 726042095 BOBHJYZVGTZESH-NSHDSACASA-N 437.430 0.149 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)c2)cc1 726856411 KWZZKCGIBAGSHN-MOHJPFBDSA-N 446.533 0.920 30 20 ICED CON=Cc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 727772667 IWFCYOCHQDURJS-UHFFFAOYSA-N 427.461 0.375 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795756 WSTCXKRZLLQVNW-UHFFFAOYSA-N 442.589 0.764 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCNc2ccc(C#N)cn2)cc1 733358713 HDDYIAJTXOHKDW-UHFFFAOYSA-N 430.490 0.808 30 20 ICED CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749744226 OMTVSMIQRSJFHQ-JWADSYHNSA-N 442.563 0.667 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OCCC)c2)c1=O 758051810 NVRMXNWGHXIYDL-INIZCTEOSA-N 439.537 0.986 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)s2)c1=O 758060838 PDTMMNGZJDSRSP-UHFFFAOYSA-N 426.567 0.580 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758646332 WJAKUQSBAVOGGN-KGLIPLIRSA-N 431.515 0.354 30 20 ICED CC(=NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 762603686 PTYJZGZRSHGEII-UHFFFAOYSA-N 445.549 0.743 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 767621916 MKRMVYJSMGLZNS-JWGURIENSA-N 446.493 0.279 30 20 ICED COCCN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 769148103 ZJGIKUOCSTYJSP-MRXNPFEDSA-N 436.534 0.457 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@H]1CCCO1 773794203 XJIATCSFEOPRQM-QZTJIDSGSA-N 425.489 0.376 30 20 ICED Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 793808855 FXPXRBWKHDASKG-UHFFFAOYSA-N 430.472 0.807 30 20 ICED COC(=O)C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 796925347 ZJPKALCRZMUKRR-MRXNPFEDSA-N 438.458 0.607 30 20 ICED 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30 20 ICED CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1766731238 WSWLOZGWBOBOKU-MRXNPFEDSA-N 434.522 0.546 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1770744947 PKTMLXHEJASZLP-GFCCVEGCSA-N 434.444 0.599 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CCO1 1771537361 MYNUKXKASYCQBU-HOTGVXAUSA-N 436.538 0.312 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715596 QYJPANCJHDJVQP-YRILPIOLSA-N 442.563 0.284 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)CC1 1778265746 DQANWIUBTQCOFB-JOCHJYFZSA-N 429.496 0.388 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccccc2=O)C1 1779518517 ARNWWPTZNZFAMJ-RTXPOLOASA-N 429.517 0.962 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc3ncnn3c2)C1 1780547479 VMGNLGKLPWNPRU-GEQKSPFYSA-N 439.516 0.824 30 20 ICED Cc1cccc(C)c1NC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780719679 KTUZIKFPKSQOOD-UZUQRXQVSA-N 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O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1)c1cccs1 1836520940 YVHKDRPPXOYVRC-LMAONABESA-N 434.514 0.980 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)O1 1836605766 LSBXLLJRGWTSOV-YUKHSWDUSA-N 439.509 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1836859568 OGGGBLQBDGFKQR-AWEZNQCLSA-N 433.465 0.968 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837394982 NDHIVMDKVITTBV-QRWLVFNGSA-N 438.912 0.773 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837440554 MYBJKFYQDMYNPW-LVGSUZFTSA-N 438.422 0.815 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440631 QKCIGTDEOFTSME-XQLDGGAHSA-N 435.569 0.399 30 20 ICED C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1(F)F 1837447499 PRQUXXMDCQZFEO-JLWZXNKTSA-N 428.480 0.960 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2)C(F)(F)F 1837485130 ALUHMRZXQOAQKT-KSSFIOAISA-N 443.426 0.852 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524223 CBIIHYCXVLMINZ-OBKNTDCBSA-N 447.492 0.384 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cc1 1837797292 FAUJOYMQAWKCGT-HXUWFJFHSA-N 440.416 0.573 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838172494 XNHQJMQYRFEWJN-HTAPYJJXSA-N 431.489 0.507 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210651 WYJVQVFTBCKNMW-HRAATJIYSA-N 441.525 0.295 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)cc1 1839361926 OELOZFXQRMBKAD-NRFANRHFSA-N 425.445 0.565 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1839420350 DEESKQITQMPVCA-HXUWFJFHSA-N 428.424 0.059 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn(C)cc4c3)CCO2)C1 1839504133 MEDKZEFUNUYJFO-UZUQRXQVSA-N 440.500 0.682 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840450283 YZQFFQHTHUVGDV-FGSXEWAUSA-N 431.489 0.344 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=COCC4)CCO3)C2)c1 1840561959 NZIITZPUVQMZDE-QFIPXVFZSA-N 427.457 0.941 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840818064 HZNMKZHFEINQEL-RWWKDMOOSA-N 429.473 0.164 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1846559835 YFTKWILOTFVIIJ-HXUWFJFHSA-N 434.500 0.775 30 20 ICED Cc1cn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc(C#N)cc2)c(=O)nc1O 1847212500 CDLBCIGQWBESEK-OALUTQOASA-N 435.484 0.964 30 20 ICED C[C@@H](C(=O)N[C@@H](CCNC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 409921450 GKWIDPJYPVZVSM-VYDXJSESSA-N 446.475 0.799 30 20 ICED CCc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 410146961 FPUNANFEYCFARX-VQIMIIECSA-N 436.534 0.630 30 20 ICED N#CCCn1ncc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1-c1ccccc1 429587363 AEUJMMMLJROIMY-UHFFFAOYSA-N 448.483 0.897 30 20 ICED Cc1cc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N 443963278 TZQHFOFDDHQWHZ-GOSISDBHSA-N 441.575 0.767 30 20 ICED COc1c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)nn1C 461007514 YNGLSIGDQFRJRP-UHFFFAOYSA-N 432.506 0.825 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(Br)c(O)nc1=O 465184113 JKYJMIXTGKCXJM-JTQLQIEISA-N 434.254 0.110 30 20 ICED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 473192131 OFEFORRUTXKCGK-UKRRQHHQSA-N 429.433 0.063 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480110885 QZHJLUBKUBJCOC-HOTGVXAUSA-N 435.550 0.284 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 480807216 VXANHTPABDGACF-UKRRQHHQSA-N 428.536 0.013 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 488986424 SAJYVBWSQMPHJH-GFCCVEGCSA-N 428.466 0.776 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1nnnn1-c1ccccc1 491390810 YIERAEQQTGQQRF-AWEZNQCLSA-N 442.443 0.990 30 20 ICED N#Cc1ccc(C2=CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 502496156 RDNZXVJCGZDABU-OAQYLSRUSA-N 428.558 0.979 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCCO2)c1=O 505700384 OUQAEOPUIZILTD-OAHLLOKOSA-N 429.546 0.549 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 507758047 RCNUPFRDZQRNSA-UHFFFAOYSA-N 442.472 0.791 30 20 ICED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508583439 PZMINBQAEOWCOR-UHFFFAOYSA-N 443.489 0.906 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 511355827 AJOCDGUSCQWTJF-UHFFFAOYSA-N 439.476 0.683 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(OC)nc2)c1=O 512757413 JXMZCZLESUSOOZ-UHFFFAOYSA-N 436.497 0.301 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c(OC)c1 515546997 LUKHTSQHGHNWHT-IBGZPJMESA-N 431.533 0.930 30 20 ICED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521154202 RRKXCTKSFHAXLM-AEFFLSMTSA-N 435.502 0.748 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)s2)c1=O 523743266 JZJQCXKRFOFQMY-UHFFFAOYSA-N 441.962 0.927 30 20 ICED N#Cc1c(CCCNC(=O)c2ccc(S(N)(=O)=O)cn2)nn(-c2ccc(F)cc2)c1N 537727480 WWTGQHQFXJTMLR-UHFFFAOYSA-N 443.464 0.870 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 542940527 CXTOZFZLJIOMED-UHFFFAOYSA-N 432.483 0.576 30 20 ICED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2cnccc2C#N)CC1 553698383 SIZNPIYKYAMXDV-UHFFFAOYSA-N 437.504 0.875 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 557269661 ZPPSPKBSHMJSGI-UHFFFAOYSA-N 430.505 0.256 30 20 ICED Cn1cnnc1C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 572556583 SUOQJQKPAXPSMU-GOSISDBHSA-N 435.488 0.705 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCO1 587653684 IQEYALRANYOTFC-KRWDZBQOSA-N 428.537 0.655 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(c4ccc(Cl)cn4)CC3)CC2)n1 600875856 AJZIVFHDVIDBAK-UHFFFAOYSA-N 439.907 0.999 30 20 ICED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434411 XACCSUDQKCZISQ-UHFFFAOYSA-N 430.442 0.248 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 609486888 SYOVVSJCAXVLGN-FQEVSTJZSA-N 449.577 0.812 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(=O)N(C)C 611732663 IPAUPRPRYGWCED-UHFFFAOYSA-N 434.499 0.696 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1=O 684988493 XXVXNYQCIADXIH-OLMNPRSZSA-N 437.518 0.064 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1cccc(F)c1 685535010 JOZSKHQZCCWMOK-KRWDZBQOSA-N 439.513 0.935 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCc3cccnc3)c2=O)cn1 727814780 ZEPFIAXWYTZCJG-UHFFFAOYSA-N 448.552 0.843 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 747984071 NSKQOQXCHIYGHE-UHFFFAOYSA-N 435.525 0.237 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCOC 748790988 QDCQNSQOKVBNFE-UHFFFAOYSA-N 432.527 0.145 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3ccccc3CC)CC2)CC1 748815952 BBMAGDUECUVSIY-FQEVSTJZSA-N 426.561 0.938 30 20 ICED N#Cc1c(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cccc1S(N)(=O)=O 754976411 JDCQUAWWNXTHGM-UHFFFAOYSA-N 446.514 0.593 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OCCOC)c2)c1=O 758051456 WFZKVQSYVUGSHK-UHFFFAOYSA-N 439.537 0.843 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(Cl)c2)c1=O 758051840 OEEKQRCYLXCKJN-UHFFFAOYSA-N 440.956 0.864 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758076129 MIJYKHIMTDNZNR-AWEZNQCLSA-N 436.493 0.077 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 759066247 VXTOERLREPVIRN-WZTHKDHVSA-N 444.517 0.835 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc[nH]n1 770820556 CEPXYBISOJSOMT-UHFFFAOYSA-N 435.462 0.773 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3cc(Br)ccc3C2)c(=O)n(C)c1=O 771890073 NCNSDWULALRMMI-UHFFFAOYSA-N 441.307 0.670 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2c(C)nnc2S)cc1 780090651 HGRKTCNRPBTVFK-UHFFFAOYSA-N 438.535 0.437 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 780102917 JJTSVEHQUDEYII-SFHVURJKSA-N 435.502 0.290 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 783453991 ZJYGPTNKUVSJAG-UHFFFAOYSA-N 442.497 0.968 30 20 ICED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783939272 HRFKKDPGXAAGNV-GFCCVEGCSA-N 429.449 0.718 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1=O 799267833 XVVXMOOJKLYDOB-MRXNPFEDSA-N 433.896 0.460 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[C@@H](C)O)cc1 801290853 JUNOBDXOYVTOQD-UZLBHIALSA-N 443.529 0.638 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CC1(C)OCCO1 807418787 YFTWNYANCCFTKX-AWEZNQCLSA-N 431.493 0.978 30 20 ICED Cc1nsc(N2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)c1C#N 811879443 UVMQEAYIERCTLF-UHFFFAOYSA-N 440.595 0.664 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250442 PNYBPQCPJHBFRA-UHFFFAOYSA-N 449.483 0.050 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@H](F)C(=O)OCC)C2)cc1 815805902 ADLWHDWIYBZMKL-INIZCTEOSA-N 441.481 0.791 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCOC 838246325 DWLCOHPACWGLOV-UHFFFAOYSA-N 447.900 0.744 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCCSC 839368750 FJXKWVYKSHEAOF-UHFFFAOYSA-N 431.587 0.819 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914817136 LLVJAEDUVVHNTG-SCLBCKFNSA-N 427.479 0.900 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 918342813 SDAYYOYUPNXBNE-UHFFFAOYSA-N 430.486 0.396 30 20 ICED CC(C)[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919549299 MXWPLPFPCHGFEY-NVXWUHKLSA-N 445.501 0.811 30 20 ICED CC(=O)NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 921165536 SPQCCTPYDGZUDK-HAVVHWLPSA-N 437.522 0.470 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 1211854795 RDKNVFMJSPPVIU-UHFFFAOYSA-N 440.956 0.490 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1299306295 ONVXDVSBBNCMIF-UHFFFAOYSA-N 441.521 0.416 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1305120545 VHIAUHBYXLLLTR-OAHLLOKOSA-N 446.533 0.830 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1320260402 VAGASRBUIRJVDA-RDJZCZTQSA-N 437.518 0.870 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1360312453 SCOXLZQACCMGQK-KRWDZBQOSA-N 427.506 0.284 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC(=O)N2CCOCC2)c1 1505318347 VWIMXSMYOBRMMS-UHFFFAOYSA-N 444.517 0.300 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1510151301 OIQHUBCAVBCVNG-HZSPNIEDSA-N 432.572 0.451 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1517577352 TYMYAZBTMSCQDA-KRWDZBQOSA-N 439.520 0.884 30 20 ICED CS(=O)(=O)C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1544279062 MOFGJHYDZXQUFM-MRXNPFEDSA-N 439.559 0.852 30 20 ICED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1554467812 FUDLLOCUZZAACS-NRFANRHFSA-N 428.493 0.843 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@H](C)C1 1596172639 VSGPONZERJILMK-OAHLLOKOSA-N 445.549 0.765 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1596831684 PMGSKZOOVNIFME-QIIPPGSGSA-N 426.543 0.368 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1640840023 QXQLHHCOUXPDRT-KBXCAEBGSA-N 425.532 0.652 30 20 ICED COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC(=O)N2C)cc1 1646148938 XOLFBKXWODUUKN-FUHWJXTLSA-N 425.445 0.555 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1665427465 QYAGTUDOLXFXOJ-UHFFFAOYSA-N 443.323 0.680 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cn2ccccc2n1 1723958232 PRFAXODGNUZVAN-HOCLYGCPSA-N 444.521 0.507 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1741702816 JSAYYMMPJJQWOJ-HNNXBMFYSA-N 425.493 0.920 30 20 ICED CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1750191917 XCESRFDKJPQPOE-UHFFFAOYSA-N 449.558 0.875 30 20 ICED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1752428897 SJHGWNGNXSBMQJ-MRXNPFEDSA-N 447.565 0.523 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)C1CCCCC1 1761502360 YMJDPXTWNCUNMO-GMBSWORKSA-N 440.570 0.948 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CCO1 1771537396 NOTHLAOCZYZKJW-RYUDHWBXSA-N 427.437 0.549 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778009332 PZCBXQRDLIRCCX-XBHMSOGKSA-N 435.481 0.816 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1cc2n(n1)CCCNC2=O 1778916877 GATLUKNJBFXIMK-AUSIDOKSSA-N 439.516 0.558 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779135237 WUYLBDBADHOHJO-YVABFXQFSA-N 436.472 0.973 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237670 WDPIJMCLRJPFIE-HTAPYJJXSA-N 447.536 0.918 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1C 1780438657 JFUUDLHPWCQUDJ-JOCHJYFZSA-N 439.472 0.823 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781053018 BJJBPAFFTZJDQH-SGLHXMRNSA-N 442.516 0.929 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c(C#N)c1 1781173241 ALMDDMQHQFJMLS-QFIPXVFZSA-N 439.472 0.873 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)ccc1F 1781298226 CCDHCSTXDXFYSI-NRFANRHFSA-N 441.419 0.585 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1cncn1 1782529395 DSHYHYHLDHPRJJ-CBGDNZLLSA-N 431.541 0.635 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c(C#N)c1 1782766366 LGOXAZUYEBHQNE-OPAMFIHVSA-N 438.488 0.792 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1783055678 VHUQOFWYNCCOTP-YDHSSHFGSA-N 441.484 0.222 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]21 1783531350 UZEUAYXKZLORKT-GRMGMVGISA-N 426.517 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCC)nn3)C[C@@H]21 1783531494 SHMKGWOTKGQTES-LZPLBESISA-N 443.504 0.327 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783569702 XWVRFGUWYUMKCI-NRFANRHFSA-N 437.493 0.455 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)[C@H]2C1 1784124234 KWSUNOLRAZGRGR-CAMMJAKZSA-N 433.530 0.275 30 20 ICED CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)C(C)(C)C 1786857149 AEYGIQAIDBFWHG-VJANTYMQSA-N 449.596 0.799 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601101 XKDHUJOOGWHPHQ-ORZPOWQVSA-N 431.541 0.366 30 20 ICED N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)c1ccccn1 1788601848 RQZWOTSQDMXRSL-GFBRPLLMSA-N 428.537 0.533 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nn1C 1788660589 YZQFISJSQNJUAX-PPYUBFJKSA-N 449.508 0.551 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1cncn1 1788661391 PFQAEHADCFSPBI-OBRXXLEPSA-N 434.497 0.348 30 20 ICED Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788970712 JOYIZRCTZKBPIB-HPQLPZLCSA-N 431.493 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1789892358 VFEIFCHOTZABNK-SZMVWBNQSA-N 446.504 0.768 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790748088 SDNQXHMULBARAQ-UCSHJDKJSA-N 440.566 0.015 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CN)c1ccccc1)C2 1792488773 SMORFDIUWXVBCZ-MFJYXUCDSA-N 426.517 0.177 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nnc3cc(C)nn3c1C)C2 1792564676 VRPQAFCLNSFROZ-WZEOQFAXSA-N 437.504 0.851 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793384229 UFTGKXICSOQRRT-GFISCPRKSA-N 435.550 0.139 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795874483 CXYATSYIIOWSHE-SFNKJDCFSA-N 445.520 0.389 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440754 OOPLNARXHPVVMK-MIFYACCESA-N 435.493 0.213 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(N3CCOCC3)n2)CC1 1796617334 QJLIUKJKFHHDAU-HGKCTWBKSA-N 425.489 0.425 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1 1797626643 ARIDYEHYAUYLMF-NYYTWLDWSA-N 437.504 0.850 30 20 ICED 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)c1ncon1 1798354511 CBZUCIXPBCQHSL-BGESOYAMSA-N 447.492 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798502812 WGBBFIILZSPZJD-BEXDMUFCSA-N 442.501 0.148 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408428 FALHZRQFTSLTPA-KYHPRHEASA-N 448.524 0.337 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c(O)cc1O 1799441131 OPCLPDMPYQWNOA-SHFIOQEJSA-N 449.891 0.813 30 20 ICED Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n1 1799883468 LOSBMSJENNSZAC-HBCWATKFSA-N 435.444 0.572 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCS(C)(=O)=O)C3)c1 1801763457 BEJTVDVALZNADF-XUMLPFHTSA-N 433.530 0.952 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)cc1C#N 1801850131 XGSMSYGRGYQUKI-RMFSNUHRSA-N 438.488 0.840 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807048251 PEDNVGSSTAGNMF-QKORFTMESA-N 440.504 0.392 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1807208645 XYWXKVGNBWXWLB-ABBJXMLUSA-N 444.536 0.622 30 20 ICED COc1ccnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1OC 1811651005 UZAYOLBCPQYLFA-YWZLYKJASA-N 438.440 0.901 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812388617 LQVOXARHSOWNOR-PVAVHDDUSA-N 436.534 0.585 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812882889 SKQVLPJFZAAWAJ-LXGFNABISA-N 439.468 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813316287 NAJVWRPOTZLORR-VPVLLMPFSA-N 437.504 0.628 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814189193 BTKGLPDAGMOOKX-FZKQIMNGSA-N 446.510 0.036 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1)C(=O)O 1819951838 OHOUXVYVVFPRHD-ZIFZXTHCSA-N 433.490 0.830 30 20 ICED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826015164 HKHDNBFLJUQBJZ-SFYZADRCSA-N 441.560 0.839 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989620 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1836468470 ATYLGTKMBQZAAL-ZHRRBRCNSA-N 447.488 0.514 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837306281 ZALMGURAFQMGFZ-NFBKMPQASA-N 435.565 0.934 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837402023 BXYUNWIALVHKOU-MZLICYQSSA-N 446.544 0.620 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837448803 SUKYLBOGDXYIII-QVKFZJNVSA-N 435.477 0.899 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)on1 1837524797 NAWBGOFNEOXUBH-MFBSEBAMSA-N 436.465 0.582 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837526032 BJVCXLIVOUDVFQ-CMEFWWCBSA-N 448.476 0.386 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838435893 BROPKYDGNQKQTL-INIZCTEOSA-N 428.489 0.969 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CN)c4ccccc4)C3)C2)c1 1838735881 ABTSAPKEYCUMCQ-CVDCTZTESA-N 437.500 0.699 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905735 VYAPEIXMTWNHIG-HXUWFJFHSA-N 435.502 0.063 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1839173500 UPRKJUAIONNXMF-DYESRHJHSA-N 426.510 0.359 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1839175157 SBXJLKKCFNHJMU-QFIPXVFZSA-N 449.504 0.741 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1839176168 AARFLWMUJJYIOT-HSZRJFAPSA-N 446.500 0.901 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839711708 GLUPPWDCQCXPPA-QHCPKHFHSA-N 437.500 0.762 30 20 ICED Cc1cccc2[nH]c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc12 1840042240 ICXWHEQIQSCMAQ-QFIPXVFZSA-N 425.441 0.634 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260850 DCHXKHIWAIILGA-JOCHJYFZSA-N 431.489 0.136 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842921087 IWNPKRKIKPDKCF-UHFFFAOYSA-N 430.465 0.242 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)c1 1844726364 WYMWZNASAYDENM-LJQANCHMSA-N 443.456 0.879 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CCN3C(=O)C=CC3=O)c2c1 1847949978 NCYUEYYSPRXZEB-IRXDYDNUSA-N 432.440 0.565 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 10374639 RTEDFVPHKIIVGH-UHFFFAOYSA-N 444.579 0.495 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 10452863 LCAUZZNCQXBUCH-FQEVSTJZSA-N 445.501 0.112 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409491906 OHMAHLKFUIAASC-LDKKBFSKSA-N 434.588 0.149 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433892197 XRSFIYPGTGDPJP-UHFFFAOYSA-N 434.449 0.565 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461358637 DBRCGEKEKFMZFZ-UHFFFAOYSA-N 426.498 0.466 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1 463623749 NGBOZUVSLKHIOV-JYBIWHBTSA-N 436.468 0.898 30 20 ICED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Br)cc1 468610176 QWXUTEJGJGFYTK-ZDUSSCGKSA-N 440.279 0.535 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)c1C#N 472164113 WDNAIQGFDPSYPI-UHFFFAOYSA-N 427.484 0.770 30 20 ICED COC(=O)C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 487890615 UUYJAEPKDURRNY-QGZVFWFLSA-N 435.502 0.749 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488617306 DNODICJXEPKASX-SFHVURJKSA-N 437.456 0.834 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 490197126 ABTXRVOZOHZTIR-UHFFFAOYSA-N 427.482 0.814 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)OC)C2)cc1 494282621 OYHQJCOBEVOMHO-HNNXBMFYSA-N 439.490 0.222 30 20 ICED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 499680360 VDFMLRGRWFKNJO-SGTLLEGYSA-N 428.468 0.790 30 20 ICED C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508479453 YMQBNOSTOBBKEW-SFHVURJKSA-N 425.537 0.819 30 20 ICED C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508960128 IXGPFDDIASRTIT-UHFFFAOYSA-N 437.508 0.995 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1O 509072517 VOCDHJTXNKWNKC-LLVKDONJSA-N 438.487 0.477 30 20 ICED N#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 510601293 UQMVHWMBFSEUEN-UHFFFAOYSA-N 429.524 0.044 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 512419706 BLISFDFOJWLFRF-HXUWFJFHSA-N 433.578 0.685 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 514628205 BWHPZNWJSXQBCN-OALUTQOASA-N 437.500 0.389 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCS(N)(=O)=O)nnc12 517502778 DAEZZAJPJIYISL-UHFFFAOYSA-N 436.519 0.117 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1 527338172 KDAGYCBKGGTNFZ-UHFFFAOYSA-N 435.423 0.512 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)C1 537682519 WTLJFTGINAQZOD-ZRPHEPAZSA-N 448.612 0.851 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 541363967 WZNMOLNJGQMZIG-HNNXBMFYSA-N 443.504 0.333 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)c(F)c1 557398175 ZUSBHFXXNYRWBQ-SFHVURJKSA-N 429.496 0.527 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 559623243 YLTSSRKKUYIHRE-UHFFFAOYSA-N 440.525 0.922 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560053110 LGDMSGSUYYCEIG-UHFFFAOYSA-N 445.476 0.924 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 577032565 SXCMGBGBSCGZRK-MRXNPFEDSA-N 427.442 0.226 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 580061059 YIMRMFKYVCATDR-HNNXBMFYSA-N 441.879 1.352 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 589215149 CJRHFAJEJAFBIW-SFHVURJKSA-N 449.515 0.735 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 604473577 QFSUVDBWCAGYBH-UHFFFAOYSA-N 426.462 0.910 30 20 ICED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 609946328 PUQBWTORGMJGPZ-UHFFFAOYSA-N 435.440 0.938 30 20 ICED COc1c(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cccc1C(N)=O 611870327 CFKPFPUHPKCAPC-UHFFFAOYSA-N 438.444 0.818 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCS(=O)(=O)CC1 731861225 QDGONIBGOJTZII-OAHLLOKOSA-N 427.548 0.931 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 740518849 OXNCAHKUNDBDJQ-UHFFFAOYSA-N 432.546 0.781 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1=O 740856259 PIAZLNQIEYHKIP-CVEARBPZSA-N 435.525 0.736 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 749419290 FGLBYTHYMIHFKA-UHFFFAOYSA-N 425.463 0.445 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cnnn2C)C(=O)/C(=C\c2cnnn2C)C1 751033404 YQTBSHGEFFOCDG-GFIWHYBVSA-N 443.493 0.024 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2Cl)c1=O 758059972 WKIKLZCBXNOFGI-UHFFFAOYSA-N 445.928 0.861 30 20 ICED COc1ccc(NCC(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 759769736 UVFAVFCRYOIJPK-UHFFFAOYSA-N 435.506 0.784 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768747946 DEHUITURQQXAHJ-RBUKOAKNSA-N 436.465 0.805 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769642093 FKRZUMKGIVHIRY-UHFFFAOYSA-N 431.426 0.345 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)c1 769680514 XQKJVXQTYAECLN-KRWDZBQOSA-N 448.541 0.842 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1 772140164 FWTCPGBUMJUDGM-UHFFFAOYSA-N 441.556 0.710 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776751279 FRLXXDSXLVGDCR-UHFFFAOYSA-N 431.876 0.697 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC[C@H]3CCS(=O)(=O)C3)CC2)cc1 778352384 HOQHSHWFBOQERS-OAHLLOKOSA-N 426.516 0.937 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)nc1 781940236 VDAJUGCMOAVTDL-RDJZCZTQSA-N 449.920 0.959 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNc1ncccc1C#N 787787931 RNXMJIHGJBZUEU-QGZVFWFLSA-N 436.520 0.203 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 808132544 NBYBSNKVJWCBFD-UHFFFAOYSA-N 437.521 0.488 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2cccc(F)c2)C1 811042801 ZREMZTUDCXPKEA-SWLSCSKDSA-N 426.470 0.979 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)Cc1ccccc1 917118852 IXAZHWOMKABINI-UHFFFAOYSA-N 435.527 0.846 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 918435397 CPOFHTSBRVCJON-IYBDPMFKSA-N 434.518 0.105 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)O)o2)c1 918654153 TUEUSYMYOIXFKB-HNNXBMFYSA-N 445.453 0.867 30 20 ICED C=C(Br)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 921075390 QRHOVOZOZHWJRE-UHFFFAOYSA-N 432.344 0.741 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2=O)cc1 1318586902 SWGXGQGQZZMUFL-GOSISDBHSA-N 438.488 0.186 30 20 ICED Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2cnn(C)c21 1321003565 AVMZMPCYXCIALW-UHFFFAOYSA-N 440.485 0.290 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)no1 1361070242 GOMBQDCXOMBGMW-BBRMVZONSA-N 434.526 0.410 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C1CC1 1515734387 LISACGCZGMYNOL-WBVHZDCISA-N 439.586 0.691 30 20 ICED CCOC(=O)C1([S@@](C)=O)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1559843911 SKOFQISDKGIGDA-SFNQZPIRSA-N 426.583 0.455 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1C#N 1634181784 UDGBGTSDMYFQJS-KRWDZBQOSA-N 441.467 0.062 30 20 ICED COc1ccc(C[C@@](C)(CO)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 1651461094 NQAHBXNWUTUSRR-NRFANRHFSA-N 447.513 0.964 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCSC1 1692795589 OLNAXMOFCPOOQY-DZKIICNBSA-N 439.611 0.818 30 20 ICED CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1723646416 SWJSXDFQUYCWKH-KRWDZBQOSA-N 436.520 0.952 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1729546120 SPXQJZJHWLFGSU-UHFFFAOYSA-N 444.521 0.496 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1 1729594495 JNORBEBRQXNVDE-GUYCJALGSA-N 436.314 0.831 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1770344718 VKXSNEUFNHLBJO-RDJZCZTQSA-N 443.533 0.410 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1780800558 JWXOXVLLXRIBCO-JXXFODFXSA-N 425.530 0.572 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781315066 MYZJMGKAYPWKRW-IIBYNOLFSA-N 441.525 0.295 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1781692562 YNMXCJOEKNQBRN-NRVIRDBHSA-N 435.521 0.361 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1782056286 UJDULYBUFKZBIM-JOCHJYFZSA-N 434.456 0.513 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1783056072 MFQNNJJRBSDALC-SBUREZEXSA-N 447.532 0.723 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783973648 ZCFYSMSHZLNKNQ-WXIKXJKISA-N 429.539 0.459 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784545190 CRKAQEHMMHDZIS-VGOFRKELSA-N 429.521 0.961 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376180 LARPAVXWGAUGPL-ZHRRBRCNSA-N 428.489 0.682 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc4c(c3)OCO4)[C@H]2C1 1786606582 MHSSDNDUDCOFLL-BXWFABGCSA-N 428.441 0.416 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787042876 KMEVVUDZBLXPCC-FHWLQOOXSA-N 428.537 0.671 30 20 ICED 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)C3)[C@H]2C1 1788121842 DJWOLOZWZSUWPZ-UESMBRTFSA-N 449.548 0.654 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807151 TWMSIWCDRYNFJT-FYQPLNBISA-N 449.596 0.547 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)N(C)C)C[C@@H]32)c1 1790271569 ZZRYXKKWSXEVGF-WDSOQIARSA-N 427.505 0.731 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795081886 QOYFVYLCEYXFDH-KYHPRHEASA-N 436.509 0.516 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1795599224 YZTLSRCWDNLSDW-BJWYYQGGSA-N 425.493 0.443 30 20 ICED O=C(/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)NC1CC1 1797612683 KNOXTAZHPXQDJL-DIYUEEOTSA-N 443.525 0.911 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743265 ZTHCIYMAGWPSFW-AYWDWDCISA-N 429.521 0.910 30 20 ICED N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)c1cccnc1 1797836997 HKBJXLPUVQVOCG-LZAPTDBGSA-N 425.489 0.773 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)ON=C(C)C)cn1 1799391658 RPHBGZJWFNFXGS-SCNOPHJPSA-N 432.477 0.872 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)(C1)C2 1800702460 FWNCGOGZMMPYDJ-YRNCVMFISA-N 432.521 0.201 30 20 ICED 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)S 1800985937 REHKYGCQZKMKDI-NIFZNCRKSA-N 431.555 0.434 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1801165540 TVMSAIAVDJSBKT-XEMDLRDOSA-N 425.551 0.195 30 20 ICED 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)n1)C2 1802125441 YPJACYPQYKOBMP-DFGXFYAUSA-N 445.520 0.540 30 20 ICED C#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]1CCCOC1)C2 1802127875 ZGCHFLNWAUZRKI-UJWQCDCRSA-N 449.548 0.919 30 20 ICED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276036 NQKUETILYLNHQD-WDEREUQCSA-N 432.593 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NC(=O)NCC)n[nH]1 1819348401 OWCYOLNDMIVSDR-SYMMMWLZSA-N 445.524 0.968 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C)CC1)CC2 1819710881 FMKOQWILEALJIS-RHSMWYFYSA-N 435.594 0.876 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828954112 KZIWFWWVIRHGEB-QFIPXVFZSA-N 427.505 0.947 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831037945 AHZUOXDISBVOKS-OAQYLSRUSA-N 435.452 0.315 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1831212875 IEKQASHUBHOINX-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1831393066 UNFLCCJNZXFNFN-JLTOFOAXSA-N 434.518 0.524 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831694667 PNPCAWWPNSLOHY-HSZRJFAPSA-N 442.516 0.791 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246484 HRKSUKLKRDZZLK-HNNXBMFYSA-N 439.362 0.348 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1833440660 PVGPYZYYQWZGBE-UHFFFAOYSA-N 443.523 0.948 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1833468770 FSEMNPAYNGLNSA-INIZCTEOSA-N 445.520 0.171 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833474361 VWRWAYHCHCKUNV-VGSWGCGISA-N 431.489 0.924 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833487997 GGAPQDXRMRYNHH-NRFANRHFSA-N 448.476 0.228 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833707906 XWHXPCJKOUGZCZ-UHFFFAOYSA-N 431.624 0.912 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)co1 1834208614 PMEZFZJBCDLSKJ-JOCHJYFZSA-N 431.489 0.752 30 20 ICED Cc1c(Br)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834763365 DHKXRZJGRLXTTG-KRWDZBQOSA-N 440.298 0.475 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835058978 IUDUTTNYIOSWCC-QAPCUYQASA-N 438.573 0.806 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]cnc4-c4cccnc4)C3)C2)CC1 1835345633 RPZLPYHRFXGMIT-JOCHJYFZSA-N 436.472 0.845 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835845318 MIHDJPUQDPFCRB-NRFANRHFSA-N 434.581 0.903 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)COCCO)CC3)CC2)c1 1836410833 VALMVGYELQIECD-UHFFFAOYSA-N 432.496 0.891 30 20 ICED Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837230377 OHQDKLMQAGLVKF-KMUCBOENSA-N 448.524 0.956 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cnn1C 1837440862 CCINECUXQZNRJL-DUYDGHCJSA-N 432.525 0.270 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489066 YYEDRBGLNWXKEO-JOCHJYFZSA-N 431.489 0.752 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837493558 KMOTVTGTWIOBMB-QHCPKHFHSA-N 432.517 0.836 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837532287 BEHKJXZYOFDQQH-FZDFPFJHSA-N 425.482 0.008 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)N1CSCSC1 1837570165 GCYLYCKWNMRIAR-QAPCUYQASA-N 428.580 0.790 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1oc(C)nc1C)CCO2 1837999472 BJSVLWXWIPROQJ-RMUOZIPVSA-N 432.477 0.220 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1C 1838832318 VTEQQBVRNWJSLV-APWZRJJASA-N 426.539 0.453 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908619 KCKSWWPNGCBHPG-WIYYLYMNSA-N 433.530 0.742 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419663 OLZLWEJYDQCEJI-JOCHJYFZSA-N 446.479 0.636 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840174760 VWXPXXKMCKVEHQ-KKSFZXQISA-N 441.525 0.295 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840293174 LHKPHVLBKJDSEZ-JOCHJYFZSA-N 441.488 0.699 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840588521 GSRCVCORMYLGFF-RDPSFJRHSA-N 448.560 0.958 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840882035 BWJCYXXLCQPJNJ-FOIQADDNSA-N 430.567 0.987 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1841746695 YZOXRNHIBTWTPP-KRWDZBQOSA-N 436.553 0.991 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842882198 OCMUTRVUQAIGDB-ZCCHDVMBSA-N 449.552 0.252 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)no1 1844301418 MQMJEAPFXAIXMM-QPHXDFOYSA-N 433.465 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCOCC2)n1 1847261637 ANGCWUINUDNIEV-RJCMGOLDSA-N 439.516 0.592 30 20 ICED C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24374592 CXBRQSLTVUFGSY-GFCCVEGCSA-N 447.439 0.641 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 26191000 JDDRSDFAFRLHQS-KZNAEPCWSA-N 441.598 0.689 30 20 ICED C[C@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409585109 ZMHHKUMWIFSXSO-NVXWUHKLSA-N 432.506 0.884 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc1 429843581 GPWBRXRHENCEMX-AWEZNQCLSA-N 443.547 0.467 30 20 ICED COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 434794718 NRDFBCAAAHSWIO-QZTJIDSGSA-N 436.534 0.175 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C#N)c2C)c1 439364205 YTHGIRMXQLEMRV-UHFFFAOYSA-N 429.458 0.468 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)(C)CN(C)C 440388783 WFZURIJWXRGEQE-UHFFFAOYSA-N 439.541 0.768 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C(N)=O)nc3)CC2)cc1 441388328 UDRXADNARNDGPB-UHFFFAOYSA-N 428.474 0.268 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 443566716 RPCOTJSFXGSQLQ-UHFFFAOYSA-N 433.530 0.774 30 20 ICED Cc1cc(NC(=O)C2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)no1 460602600 XHPCBVUCJGFBID-UHFFFAOYSA-N 448.443 1.251 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465417189 MOWCQJXABZDKJV-CZUORRHYSA-N 437.522 0.767 30 20 ICED CNS(=O)(=O)c1ccc(NCCOC)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 471133025 ITMOOOLSPKZVJV-UHFFFAOYSA-N 425.492 0.720 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 471805572 RVUVRGYTKPFYLJ-IRXDYDNUSA-N 433.534 0.288 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)CC2)c1C#N 472321168 PWAJPEABDHRNDL-UHFFFAOYSA-N 438.492 0.560 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 478859194 RKYKHHJZSKHCIT-UHFFFAOYSA-N 447.582 0.967 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 480785944 KVXOVWWABLINSX-FKIZINRSSA-N 441.469 0.918 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)c(C#N)cn1CCOC 481475322 CPFZHQPTTANHDD-UHFFFAOYSA-N 448.524 0.857 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 489019830 VFBUVLWZOGIWBS-BBRMVZONSA-N 425.466 0.662 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 489034439 CERJNVIEMSVAGD-MRXNPFEDSA-N 445.566 0.412 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 491049323 KCJAPRNPXBFMKX-UHFFFAOYSA-N 427.505 0.308 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 517403943 JXOVIRQKBMHFQL-UHFFFAOYSA-N 440.548 0.856 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cnn(CC)c1 522386041 ASFPHNCCEGMDFA-UHFFFAOYSA-N 428.543 0.991 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)cc1 527385156 CIJANGJPCFOBFK-UHFFFAOYSA-N 434.518 0.732 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 531534105 LCBUGVUIUPJCER-UHFFFAOYSA-N 430.490 0.447 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531852281 MOEAHUPMUPYFFK-UHFFFAOYSA-N 435.509 0.477 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCOC1 541083027 SHGCVNIKQYTGNH-LBPRGKRZSA-N 448.526 0.945 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542299727 KYSYZCRAAQMMGX-INIZCTEOSA-N 445.520 0.581 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)nc1 544290356 AIOWVPBQDHXYIM-UHFFFAOYSA-N 426.481 0.898 30 20 ICED Cc1nc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)no1 553102137 BMJNXYBTDRXYSL-KRWDZBQOSA-N 429.550 0.966 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 555802436 DAJOTKKEPLUWEC-IBGZPJMESA-N 442.495 0.211 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 556327179 TXFYXVVVUKSTLU-KRWDZBQOSA-N 443.485 0.621 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 556387496 MGBDKKGKNUNSLB-UHFFFAOYSA-N 434.378 0.965 30 20 ICED N#Cc1ncn(CCNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 557636475 CACZXOFHFYYCOW-NRFANRHFSA-N 443.467 0.779 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 576032799 YZUVFGOLWCYRDI-UHFFFAOYSA-N 428.514 0.985 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C)CC2)cn1C 577987636 PPDUPJDGZUOIBI-UHFFFAOYSA-N 426.506 0.907 30 20 ICED C=CCSCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 581502372 MUYRTEQLLDMYFZ-UHFFFAOYSA-N 433.577 0.421 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 589300643 LWBAGOWJEXNRCB-UHFFFAOYSA-N 440.485 0.922 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1=O 623229438 XPOKYCBZQXLTOD-UHFFFAOYSA-N 438.234 0.813 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CN2CCC(O)CC2)cc1 729539025 AXIIHHONINRJCD-UHFFFAOYSA-N 442.541 0.998 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 731861613 HREXMCZYBPGCEA-NIQRWSHPSA-N 429.408 0.235 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CCOC 733789073 XBKCCWYCWSQHNF-UHFFFAOYSA-N 449.330 0.519 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735294622 BJBKWOJCEKRQEQ-UHFFFAOYSA-N 435.465 0.143 30 20 ICED CCOc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@@H](C)C2 737306707 OKVCPWYHKCVRKH-RUWSDDDDSA-N 428.445 0.990 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCNc3ccc(C#N)cn3)CC2)cn1 741272181 YQASGKMSHDRSBM-UHFFFAOYSA-N 432.510 0.251 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742499768 BWKJSVACQXCOEY-MRXNPFEDSA-N 449.577 0.516 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)c1 743932733 AXZHCSQYFWZUCP-WKRZDEFASA-N 448.505 0.021 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1ncn(C)c1Cl)/N=C1/NS(=O)(=O)c2ccccc21 744079305 JDHSAKYBWOLUEC-SECBINFHSA-N 445.910 0.396 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)C(=O)N1CCS(=O)(=O)CC1 744129609 AEHLZMPUTQTYSN-UKRRQHHQSA-N 447.542 0.874 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 745353243 HBUMEKKGERWVNB-GUYCJALGSA-N 445.501 0.924 30 20 ICED CN(C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C#N 747880566 PRPGVXAFAIMAMQ-UHFFFAOYSA-N 427.454 0.764 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1 753645129 JDPOIKCRXAOLTO-UHFFFAOYSA-N 428.426 0.976 30 20 ICED C=CCc1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(O)c(OC)c1 754724205 ZTUIEIBFWCTLHA-KRWDZBQOSA-N 444.575 0.764 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)CCS2(=O)=O 758164794 PHLFYMZYIQOEGM-UHFFFAOYSA-N 433.511 0.761 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)CC1 758765350 YFGUMVCWAQGYPP-ROUUACIJSA-N 448.568 0.941 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(C)C)c2=O)cn1 772276625 DUUIOYFWEYEPND-UHFFFAOYSA-N 429.571 0.941 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 783463502 BJSDNMNOFBYMKP-UHFFFAOYSA-N 440.481 0.901 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c1 784350446 INUUBJGCIRXFCC-UHFFFAOYSA-N 445.457 0.190 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@@H]1CCCO1 785642673 HVVJSKPAEHALQS-GBESFXJTSA-N 426.473 0.940 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)C1=O 787748624 RAPHFVLVNZTJKI-XCLFUZPHSA-N 428.445 0.956 30 20 ICED COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCCNc1ncccc1C#N 787777405 KFMNMZXPTJJQBJ-UHFFFAOYSA-N 425.445 0.885 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)c1C#N 788077978 RTHYGVUJKMJBCL-UHFFFAOYSA-N 446.533 0.978 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CCc4ccccc4C3=O)CC2)o1 789269616 AQCGZLYTTWRRIG-UHFFFAOYSA-N 437.456 0.745 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)cc1 798058603 KNRSFZBNVABXRV-UHFFFAOYSA-N 429.458 0.457 30 20 ICED C=CCN1CC[C@H](OC(=O)/C=C(\Br)C(=O)O[C@H]2CCN(CC=C)C2=O)C1=O 798651320 AZCYVWYPOXETAE-HFOMYUCASA-N 441.278 0.925 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)n1 807295225 MKBQVOFVKNONBP-GOSISDBHSA-N 426.521 0.942 30 20 ICED CC1(C2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)OCCO1 808242553 ZQNUGFCFOHCWLB-IBGZPJMESA-N 440.500 0.777 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)nc1 810348504 OPSHCVNJSIXJTJ-UHFFFAOYSA-N 432.387 0.863 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 810367040 HTYKSLSDQQOAGV-UHFFFAOYSA-N 433.440 0.831 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814250730 YCWDKKFGSVNRDJ-UHFFFAOYSA-N 443.435 0.243 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1F 914459415 GQQAHLOYSVIFBB-UHFFFAOYSA-N 441.506 0.910 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1 916420531 NXZIMDLCPANOGQ-OAHLLOKOSA-N 445.453 0.336 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCN3CCCC3)CC2)cc1 1208272357 VZQDMTBUGQQPFT-UHFFFAOYSA-N 426.564 0.680 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C1 1302468625 JTYLPCKAUZMUDC-INIZCTEOSA-N 435.554 0.536 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCO2)C1 1302480186 QVDUPQJIEXEWCH-CPUCHLNUSA-N 428.490 0.232 30 20 ICED N#CCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1330677340 CIHILXWFPNRHAP-GOSISDBHSA-N 441.575 0.653 30 20 ICED C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1507792506 ZBHKFYSBVCTDOH-LLVKDONJSA-N 446.331 0.997 30 20 ICED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541943061 PEMKELFGZUZTJU-DOTOQJQBSA-N 438.602 0.405 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)COC2)c1 1711019121 UOKQGCMPZFYWEH-MRXNPFEDSA-N 446.533 0.961 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1712451979 MOFHIQWQFTYORZ-UHFFFAOYSA-N 446.600 0.907 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1769302921 UPOJYAMGXZGYHQ-INIZCTEOSA-N 445.549 0.671 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779105591 KXUHPGPONSQZMW-KQMYUEFMSA-N 445.516 0.949 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779314659 JHXRMDRMSRLGQM-KNQAVFIVSA-N 444.488 0.161 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1779323714 QEXLIFPCXLJOBQ-ZRTRKKQLSA-N 427.505 0.570 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc(O)[nH]1 1779780291 FWLSUZNGZSJCMD-DYESRHJHSA-N 430.505 0.941 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC(=O)N2)C3)c1 1780088922 JKQNCQUOUYXZNS-YCRNBWNJSA-N 440.500 0.973 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1780169186 OEDOTMPDAPZKDM-QFIPXVFZSA-N 439.472 0.619 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1780173901 JQEYIJLJLHTVEA-HSZRJFAPSA-N 441.532 0.258 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c(C#N)c1 1781177260 VMLZXERARSFMTJ-OPAMFIHVSA-N 438.488 0.792 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)CC1 1781560751 WXBPSKOONKADQG-IIBYNOLFSA-N 443.460 0.574 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781739944 NBUGGOGPFRNWAA-WAWZGNHOSA-N 429.481 0.152 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCc3sccc3C1)C2 1782011228 QLWRWIUVRPYNRT-XMSQKQJNSA-N 445.541 0.708 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(OC)cc3F)C[C@@H]21 1783530339 TYZAEBCNDVPKPD-QCVNDIHVSA-N 446.479 0.681 30 20 ICED Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c1F 1786857315 LMJZDMGSFLKXOA-JYJNAYRXSA-N 434.516 0.743 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1787509916 QFOCOOFWSGLCLB-HGHKQEFQSA-N 433.486 0.575 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnc(O)[nH]5)[C@H]4C3)c2c1 1788957079 LNSCLZZQSSDYNR-JDFRZJQESA-N 435.444 0.770 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c1 1791984889 REKNYIMVIBLVKF-SSRYDLFMSA-N 441.532 0.500 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2 1792626142 BLWQHBISMNKORS-XEMDLRDOSA-N 436.629 0.898 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1793357963 IDQWTHYGSRYINK-RMZWBFLNSA-N 429.473 0.902 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(Cn2ccnc2)cc1 1793977111 UAZZWWICOGOIMB-GZYXTLFTSA-N 448.479 0.622 30 20 ICED CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2)C(=O)O 1796092712 LEZSFNWFRXBKBM-ZMMAXQRCSA-N 428.489 0.810 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796888381 YLKQASNMVVKWHH-NXOAAHMSSA-N 428.555 0.851 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)cc(C(F)(F)F)c1 1797684363 VQDAMYCBBFCJLJ-FVCICTRLSA-N 449.389 0.656 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798712204 RDUOTCDOEXTUIG-PTEHBNRSSA-N 445.398 0.536 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327178 CNAWTHGJZNYPDI-KFVVBQDRSA-N 447.463 0.445 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799361580 CRMQPTGOHSKMGQ-CLWJZODNSA-N 435.521 0.265 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994588 UNHWODDWGANGNJ-FVXYBNAJSA-N 426.473 0.567 30 20 ICED 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]1C[C@@H](O)C1)C2 1802139568 FJIFZFWGFOSRMP-GZHIDJEZSA-N 449.548 0.816 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1804172163 HMQCODILZHAXHU-DFQSSKMNSA-N 434.562 0.657 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)c(C#N)c1 1808167130 MCGHIKJJCYKIOX-JTSKRJEESA-N 449.515 0.693 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1808756921 HNHLALNPCCYRNF-BJLQDIEVSA-N 440.548 0.990 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CC1 1809667093 ONGQDCCXVQKQPQ-TZIWHRDSSA-N 438.532 0.555 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810350357 AHJVVMWAYRTDGE-ZFGGDYGUSA-N 449.511 0.923 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819952435 SSADNUDNZZFLBP-NTISWIMFSA-N 449.489 0.832 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)N1 1825075395 XORAITLPHYNFLT-WKVCWDCFSA-N 443.504 0.916 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1830224933 PFJZVBMGQCESRN-WMZHIEFXSA-N 443.500 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1831399499 VMMQUSJFINIKFY-YCRPNKLZSA-N 449.435 0.842 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1831425236 ATNBAEPEDDZLMG-CBGDNZLLSA-N 425.526 0.339 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831493162 OWCOCEXCRVCGLI-XZZFYQAUSA-N 425.551 0.232 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccn(CC)n3)CC2)CC1 1833076131 YYZSSUBNTCUEFI-WAYWQWQTSA-N 442.564 0.947 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1833472624 WJYAECSFXAIMGD-QGZVFWFLSA-N 433.557 0.789 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)CC1 1835341081 OOHNOQHXHQIHRM-GCJKJVERSA-N 427.457 0.587 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1)C(F)(F)F 1836130896 UXKACZSLGDWQTD-GOSISDBHSA-N 445.394 0.584 30 20 ICED CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(C)n1 1836335345 ZJANGBVKURKGRW-QFIPXVFZSA-N 429.521 0.992 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525758 PEWGDKZYPGZACW-FLVDQSKXSA-N 441.525 0.379 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1CSCSC1 1837570184 GJVGBXWLLQXYOF-DNVCBOLYSA-N 440.591 0.790 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837736085 BSBQTBAUUKRSTK-SFHVURJKSA-N 433.553 0.545 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1839174932 FJWKDVYMQNUMTK-NRFANRHFSA-N 435.452 0.800 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419497 DVHZPWBQFQHPBR-LHSJRXKWSA-N 432.452 0.279 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839880223 JYAQPFHUDJAAQW-OYHNWAKOSA-N 446.479 0.221 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1)C(F)(F)F 1839893432 YNGPZZDDFFSVSX-SFHVURJKSA-N 439.394 0.918 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1840163225 FLLBOCNKSVBKOE-VGOFRKELSA-N 449.573 0.912 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802740 BWXGSRDIZHVYPF-AUUYWEPGSA-N 431.555 0.676 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)CCO2 1840908982 UDJVXTMPWJGMSC-WZONZLPQSA-N 447.532 0.773 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)ccc1SC 410093716 JIDLNUUHTRXHLT-AWEZNQCLSA-N 445.566 0.976 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 410405765 ZHOOAXICZIPKLG-HUUCEWRRSA-N 426.543 0.692 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 430411260 DUDLHGAMHXRSDF-MSOLQXFVSA-N 442.582 0.349 30 20 ICED CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 439983551 ZZFIHEGMVDDNCZ-GOSISDBHSA-N 431.456 0.893 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@@H]1CCOC1 441925258 NNPAXZPCWNFISW-HNNXBMFYSA-N 445.516 0.660 30 20 ICED C=CCc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc(OC)c1OC 444511259 KKMXCNPJFHVSOM-UHFFFAOYSA-N 429.477 0.972 30 20 ICED C=C(C)CN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 445919398 JRAUADNMVYNYQM-UHFFFAOYSA-N 438.550 0.994 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(O)CCO[C@@H]3C)nnc12 447739684 FXYKPGTUHPGKDF-XCLFUZPHSA-N 429.502 0.978 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cn1 460676349 IOHYIXCOXFZHKC-GOSISDBHSA-N 444.455 0.780 30 20 ICED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465478894 ZTMNSRIPZSRDJA-AWEZNQCLSA-N 444.517 0.892 30 20 ICED CCN1CCN(CC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C(=O)C1=O 479541883 NTTCBQXXUUJFCZ-UHFFFAOYSA-N 437.504 0.374 30 20 ICED CN1CCC[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC[C@H]21 483482905 DBAWBHBRPNGZQI-WOJBJXKFSA-N 445.589 0.807 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C)cn2)c1=O 488973439 GXPCTWHDAYYJGB-OAHLLOKOSA-N 441.509 0.675 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 489097164 FQCBODWXQGTKEQ-KBPBESRZSA-N 446.526 0.358 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)n1 508308021 JLGYSPPCTUFPSU-UHFFFAOYSA-N 433.428 0.922 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 508381091 WHXCXUVKACAEAO-UHFFFAOYSA-N 431.478 0.079 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 518108655 XQBBWMXZMGTBEY-UHFFFAOYSA-N 448.483 0.713 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 520930529 RVPQCCJCLLWIEF-UHFFFAOYSA-N 435.536 0.787 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOCC 522284479 RQTSFWLBJCQXJE-UHFFFAOYSA-N 442.541 0.934 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1=O 524862683 VTWMFFHJUPEFAQ-UHFFFAOYSA-N 434.474 0.659 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc21 527339255 MGJILMLMDWWORC-UHFFFAOYSA-N 436.476 0.594 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(c2cccc(F)c2C#N)CC1)S(C)(=O)=O 531650080 FUPPOGWCMLDRCD-UHFFFAOYSA-N 439.557 0.996 30 20 ICED C=CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 533524080 HLJQVQOWQXJIIH-MRXNPFEDSA-N 446.529 0.035 30 20 ICED COC(CNS(=O)(=O)c1cccc(C#N)c1)CNS(=O)(=O)c1cccc(C#N)c1 543171026 RFSDUXJTKQMONX-UHFFFAOYSA-N 434.499 0.702 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 548617467 IMOHZYVQUHKODI-HNNXBMFYSA-N 443.481 0.963 30 20 ICED N#CCNC(=O)CNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 554381612 PUOUSCUJQIGDRC-UHFFFAOYSA-N 436.476 0.129 30 20 ICED COC(=O)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Oc1ccc(Br)cc1 561424337 AXLWOCATRZHPNC-CYBMUJFWSA-N 437.250 0.751 30 20 ICED Cc1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1S(N)(=O)=O 567606728 MLZMLWGAAXLMOT-AWEZNQCLSA-N 429.506 0.724 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 578808228 XCHDWLUTRUBDNI-LJQANCHMSA-N 437.481 0.626 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)CC1 578972246 GZEWAYWDMWITHL-INIZCTEOSA-N 430.505 0.299 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988083 KNUJKZNGEDCWNS-UHFFFAOYSA-N 438.488 0.845 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(C)C 619695216 XMSADQVOZKGGCI-UHFFFAOYSA-N 433.505 0.979 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 733351215 UXSWZFHIKUPDEK-UHFFFAOYSA-N 431.581 0.882 30 20 ICED CN(C)CCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 733888876 IEZJIXXXFURELL-YUCJCZDXSA-N 435.550 0.848 30 20 ICED C[C@H](C(=O)N(C)CCC#N)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 746493252 RVTAYHGYOWAVLS-OAHLLOKOSA-N 443.570 0.314 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1C 766248916 QMZRTRDNYOWARX-UXHICEINSA-N 434.562 0.326 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCCC#Cc1ccc(CN2CCOCC2)cc1 770860683 RZPGBRVGOMKLTF-QFIPXVFZSA-N 441.528 0.931 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 773299593 HVFLZNFTBPIHHA-UHFFFAOYSA-N 425.507 0.863 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)cc1F 782599385 BBPFJQBFLZERFI-UHFFFAOYSA-N 449.504 0.360 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)nc12 783375707 BLEHWGYRBPINPG-UHFFFAOYSA-N 429.414 0.358 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 788278171 DOXOBRBDGRYGPB-IBGZPJMESA-N 438.506 0.230 30 20 ICED COC(=O)[C@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(C#N)c1 789120829 XNUUDQDSPCHRQI-QRWLVFNGSA-N 429.429 0.931 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc[nH]n1 789957163 KPGCORVFOLNTGX-UHFFFAOYSA-N 448.867 0.922 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 816756985 JYPUJTLIDVATKF-HNNXBMFYSA-N 439.490 0.370 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 915704939 QTUXYXMGKXGPAB-UHFFFAOYSA-N 427.530 0.675 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)nc1 918263585 GNCZVNCXZSAJKF-UHFFFAOYSA-N 449.515 0.817 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)nc1 1115968647 QBUFEXIISXPRKP-WBVHZDCISA-N 431.518 0.074 30 20 ICED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1288402083 QBAHRLZURSUTAH-RHSMWYFYSA-N 430.506 0.478 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)n1 1304754960 TVEWOIKYBCNTBP-LJQANCHMSA-N 426.460 0.735 30 20 ICED CC(=O)N1CCC(NC(=O)COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 1321627977 CWVQACSQVPCZHK-UHFFFAOYSA-N 426.477 0.821 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516973861 ZNRPUFBUDRALDO-SFHVURJKSA-N 434.504 0.994 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1521063061 MEAZGVQKVIJHBQ-WMLDXEAASA-N 444.558 0.603 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1613085336 BIIYBCJBZMSAMO-RRQGHBQHSA-N 430.506 0.214 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1620168652 NJRQOYFTAXNQOZ-GOSISDBHSA-N 446.533 0.704 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCOCC1 1626100993 LTLRETMOIPPMCV-INIZCTEOSA-N 436.534 0.223 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1751101287 OARZOYFWPNQVJK-OAHLLOKOSA-N 425.493 0.766 30 20 ICED CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)C(C)C 1778796674 SWVXKMDPIDPFJK-JEISCHNNSA-N 439.509 0.933 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1781263852 GKGWWMMDNOQBFK-XMSQKQJNSA-N 437.537 0.877 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057449 QYFCSWYJIOQMLV-UWJYYQICSA-N 430.461 0.375 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783189295 YGNNPGWCHGJNRO-AUUYWEPGSA-N 447.479 0.913 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1784371275 QQXIUSIDFPBIQE-UWVAXJGDSA-N 437.566 0.241 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)cn1 1784382056 UKYNEBAAJQCQHQ-IHPCNDPISA-N 445.541 0.633 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1785574855 UYFWRPJLHZFTRM-GSHUGGBRSA-N 435.521 0.912 30 20 ICED O=C(CN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786714906 ULISKDRERAQYPS-KGKSIKOPSA-N 436.553 0.981 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788575452 XTQQCXXPUWPVCX-YHUYYLMFSA-N 428.493 0.291 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788600861 FEMZXTJLJLEGCQ-QHGOMKHRSA-N 431.581 0.778 30 20 ICED COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn1 1788601831 PKKGFHVAVDWTAZ-HYXWLXGISA-N 430.509 0.550 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1Cl 1789268818 ZNFWFOCVXKRJTE-IAVJCBSLSA-N 432.908 0.528 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789714714 LHWIXKIYKKIENN-BVBHFADKSA-N 427.505 0.843 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]32)c(C#N)c1 1789839790 JAXQXNKEJCYOIN-QHERXFFYSA-N 442.516 0.601 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790228612 VFECJLXXKXGRHC-CHAYTZKSSA-N 447.463 0.906 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21)C(F)(F)F 1790882648 DUWUKZNDYXCKAD-QAETUUGQSA-N 432.487 0.721 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791332407 BUPDAWOFPVYXJB-ORQYLMBXSA-N 449.548 0.751 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1792255571 ORXNKINNGPFXSL-XSLAGTTESA-N 447.532 0.862 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2 1793343458 XYDXLKKPHOPHSB-UGNRZPKXSA-N 426.517 0.923 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)c1Cl 1793943044 BQBLZVXBAHEHBI-IFOZYUSPSA-N 445.863 0.013 30 20 ICED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794110923 BRVNKHDWYWABQN-FQRJBHLQSA-N 430.505 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc2ccccc12 1796886259 VVDAASZTMHZRKN-VLTQWEFMSA-N 435.484 0.691 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc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c1cccnc1 1803435064 QKDVIDQHIJPCOX-AWLYRJFCSA-N 441.532 0.861 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807190996 PEFJYGQMFWNYIM-LVCYWYKZSA-N 431.537 0.663 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808835842 BVUVCDIYRJGFMH-OGWOLHLISA-N 444.492 0.440 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810439371 VODZGUATFRKJFK-RIFZZMRRSA-N 435.488 1.000 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812716894 HYPFQAQNZXUSFZ-SLYNCCJLSA-N 449.552 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807826 IDNIPPLIHIDEJK-RYUDHWBXSA-N 437.522 0.157 30 20 ICED COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819907217 MZBPGAWTKAACNH-OGMBXEEDSA-N 439.494 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)COc3cccnn3)sc2C1 1826755552 JSDVRZAKDJSPBK-MEJMFZKBSA-N 442.501 0.783 30 20 ICED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(F)F)C2)C1 1829332705 VHBGGDUIBNJNDD-NRFANRHFSA-N 449.410 0.792 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829807161 KMNCBZSRJWSWBR-VGOFRKELSA-N 427.505 0.752 30 20 ICED O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)O1 1830465610 NXCDBBWLHQSLAJ-UWJYYQICSA-N 447.875 0.256 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207303 CMNCXHZVIYPHTN-GMAHTHKFSA-N 428.485 0.598 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1831426916 PYXXPRMDEXUALT-IIBYNOLFSA-N 434.493 0.327 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831522418 ABQKSBUCXPAXFX-LXBDKUERSA-N 445.516 0.800 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1Cl 1831572199 OETOAROHXQVPJO-YWZLYKJASA-N 448.863 0.390 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832750564 GIIRCSYOIUUEHV-IIBYNOLFSA-N 431.514 0.186 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833208517 RIUZQYBAUWOSIB-FOIQADDNSA-N 438.912 0.773 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441010 NWSKEHVELKSVMY-ICSRJNTNSA-N 429.583 0.120 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1835767773 QUZAKDGMJBCWKA-OLCUMFGGSA-N 446.552 0.984 30 20 ICED NC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1 1836649455 YGOMAWMIKDEGQS-FQEVSTJZSA-N 432.952 0.976 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3ccccc3)CCO2)C1 1837334064 NTMOCPBUNAIKHN-PWHSHALESA-N 429.517 0.982 30 20 ICED C=CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c(O)n1 1837335858 IONYVXHNVRJOHA-FQEVSTJZSA-N 445.564 0.804 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837445960 CVJCUIOUQZBYAV-GVFUYMABSA-N 444.532 0.863 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490867 SGQBWCLVVWITAA-QHCPKHFHSA-N 444.532 0.795 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837493729 UYTYCLSQYBDRBG-GBXCKJPGSA-N 448.560 0.958 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccccc1=O 1838737959 HIXJISGMUVNTET-KSFYIVLOSA-N 439.472 0.379 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105641 QXNBRICESDKVOG-HFMPRLQTSA-N 448.608 0.847 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839223844 ARWBSZRFSIULLF-DYESRHJHSA-N 434.493 0.106 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839379253 WFVNCKCYOZMFBA-JOCHJYFZSA-N 438.488 0.887 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839889345 PNFXKTHVZULWRA-IBGZPJMESA-N 425.432 0.667 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1 1840351132 ZMMWBZZIUSUWRW-PGRDOPGGSA-N 431.537 0.787 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1840479529 ZVWOSDYKGJNWEG-IIBYNOLFSA-N 439.476 0.070 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)CCC1 1840814784 XZEUSCPCYMKTTI-QFIPXVFZSA-N 443.504 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1841054021 CIGDXADNCAZSOT-WAYWQWQTSA-N 432.502 0.161 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C1 1842872743 BYZWQJOFXPDEEB-MRXNPFEDSA-N 448.568 0.760 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 409575653 LOSQJCUPMLSRRE-HNNXBMFYSA-N 430.552 0.523 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCO1 410136026 UATXENYYRKRVLQ-KGLIPLIRSA-N 434.396 0.749 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 443677896 ZZUDDZCVNDBFKK-UHFFFAOYSA-N 429.567 0.943 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(NC(N)=O)cc1 446917989 HFDVLDMASDWOHO-ZDUSSCGKSA-N 432.444 1.505 30 20 ICED CCc1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 461322717 MVOSDYHSHQFNQV-UHFFFAOYSA-N 430.428 0.899 30 20 ICED Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)no1 465134806 XILSJLWIZHBOLP-OCCSQVGLSA-N 429.506 1.442 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465427141 XVVOCDUUAGBKTK-AWEZNQCLSA-N 446.475 0.697 30 20 ICED C[C@H]1OCC[C@@]12CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CCO2 470941276 URZCUWUTLSFJIR-DYESRHJHSA-N 448.545 0.271 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1Cc1ccon1 480960218 MGOGQLGTCFNFFG-UHFFFAOYSA-N 436.493 0.898 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 484253543 JSCFNLZSFYODOT-UHFFFAOYSA-N 428.430 0.811 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 490125403 IPHVGMKKXJLGJE-OAHLLOKOSA-N 442.520 0.744 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cnc21 490344618 AIKMOINVLMNSQA-UHFFFAOYSA-N 438.429 0.346 30 20 ICED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 502901108 ZYJYOTQPEBKROA-INIZCTEOSA-N 449.558 0.569 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 505041776 NSXILLMXIWTNSP-ZDUSSCGKSA-N 444.473 0.814 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508418646 YYTKLXSDDCVIOY-KRWDZBQOSA-N 441.536 0.929 30 20 ICED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 509953062 QNMWBKYONAUHLH-GFCCVEGCSA-N 445.448 0.485 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 514530285 RSRDWZGVYWLJJC-GOSISDBHSA-N 448.545 0.666 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2OC)c1=O 514644849 CHAKTGGYBXPOQR-UHFFFAOYSA-N 445.541 0.993 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 515784717 UAELSDBLSXKQBB-UHFFFAOYSA-N 431.474 0.484 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 521821127 WHDBGRZZJPNWNY-CALCHBBNSA-N 435.550 0.146 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 531648322 BJGJJUNECQPEMQ-LJQANCHMSA-N 440.525 0.984 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CC 541082217 AKJTVQZIRGBMCM-UHFFFAOYSA-N 443.525 0.901 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 550277570 SYMBIXUKLVVXMC-PMACEKPBSA-N 441.532 0.643 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1 552592163 WDOAVHSJJUCZHG-GOSISDBHSA-N 443.548 0.084 30 20 ICED N#Cc1ccc(=NCC(=O)N2CC[C@@H](N(C(=O)CN=c3ccc(C#N)c[nH]3)C3CC3)C2)[nH]c1 557245850 BMKDFJICOHOKJW-LJQANCHMSA-N 444.499 0.180 30 20 ICED CCOCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569497077 WBWXOKZCUDTVJO-IBGZPJMESA-N 427.505 0.351 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O 589160773 NZFSTYNHNQBFKS-UHFFFAOYSA-N 439.584 0.639 30 20 ICED N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 603601932 XGTKDXWFSJBQRT-KRWDZBQOSA-N 449.552 0.151 30 20 ICED COc1ccc(C(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 603971603 QQTLRSNOPJHQAR-UHFFFAOYSA-N 430.486 0.734 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 604270155 QBCRNXIQBOKHAT-UHFFFAOYSA-N 432.933 0.679 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC(N)=O 609311811 QQAWFZQPXJIBRG-LLVKDONJSA-N 444.469 0.430 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N(CCC)CC(=O)Nc2ccccc2C)CC1 728686260 OAJAINWWDQEFAY-UHFFFAOYSA-N 427.549 0.539 30 20 ICED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 730390704 XZVYPGVNXUBSRS-QIIGAIICSA-N 435.506 0.175 30 20 ICED O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCCN/C(O)=C1/N=CC=CC1=O 732444796 SCJKNIFHBPCGSP-NXVVXOECSA-N 432.481 0.457 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CC1 732761320 CQIKIDIBDZMKOL-UHFFFAOYSA-N 432.424 0.455 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 733364569 LWQVDKICVNAQCD-YVLHZVERSA-N 432.546 0.251 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@@H]1COc2ccccc2O1 741343697 VEQIEGIASZWCLX-ZQGPAPBISA-N 429.429 0.791 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 742274210 GXUSBTHIHHXBJA-ZIAGYGMSSA-N 446.526 0.358 30 20 ICED Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 744897464 BFJMSIWYPAQOIA-UHFFFAOYSA-N 440.503 0.633 30 20 ICED N#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 748320272 AGXCECKOMYAUTK-WBVHZDCISA-N 446.529 0.975 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1C#N 752405327 POLBTIGCWWRARD-CQSZACIVSA-N 437.478 0.605 30 20 ICED COC(CNC(=O)C#Cc1ccc2c(c1)OCO2)CNC(=O)C#Cc1ccc2c(c1)OCO2 752770504 ACYLTPAZKBEXSL-UHFFFAOYSA-N 448.431 0.795 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@@H]1C 754511884 PLFFXRPEZPIEFM-YUCJCZDXSA-N 435.550 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OCC)c2)c1=O 758077473 WJGJOCFVHQRENW-OAHLLOKOSA-N 425.510 0.596 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CCO2)c1 762385250 SHMGMQLFMZVINM-GOSISDBHSA-N 442.453 0.714 30 20 ICED Cc1ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 776142746 QLGRSJRMSPTVEY-UHFFFAOYSA-N 429.520 0.625 30 20 ICED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 777238969 LAORFUVIMLEWOX-UHFFFAOYSA-N 449.515 0.784 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CCOC 782600259 GXLHOAPDZUDCNZ-UHFFFAOYSA-N 427.935 0.537 30 20 ICED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCN1C 785282772 DETIJZKBWMJLLP-ZBPLQYIKSA-N 435.550 0.989 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 785433108 DBGHQXLTJSXMOE-AVGNSLFASA-N 438.506 0.076 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 789840117 DIHFPDIUCFSPJX-IBGZPJMESA-N 432.496 0.648 30 20 ICED N#C[C@@H](C(=O)Cc1ccc(I)cc1)C(=O)N1CCS(=O)(=O)CC1 793145629 XJZLKHBMSSHCPY-ZDUSSCGKSA-N 446.266 0.800 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)C1=O 798560416 HVBUIAPHXRRSPA-ZIAGYGMSSA-N 447.307 0.418 30 20 ICED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 799845298 JLHMZNKRQGVMHI-JGGCIONWSA-N 435.506 0.079 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC(=O)N1C 800657154 UCKIAEPGKXLESS-JEEMYIIMSA-N 435.506 0.127 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 804014231 NAYVMVGQHORMMQ-AWEZNQCLSA-N 430.465 0.419 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804497932 KEEMWTIXBBEGAI-UKRRQHHQSA-N 442.563 0.339 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 806708561 NDBNNCYZSNKVLB-OAHLLOKOSA-N 445.476 0.111 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(Cl)cc1F 807326667 LOWLAXMWFVZMJP-QGZVFWFLSA-N 448.886 0.783 30 20 ICED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 820064870 NYAVRQYFLQVARU-QGZVFWFLSA-N 435.546 0.812 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 886570215 DORAFAHIZUJYJL-SUNKGSAMSA-N 447.897 0.311 30 20 ICED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2O1 918265721 VVQWTLYMKDTHRV-GOSISDBHSA-N 436.472 0.802 30 20 ICED CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1166614628 KFMLDKVWTNJNPA-UHFFFAOYSA-N 427.461 0.613 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1=O 1189987773 PIFGJNCUTXZFRW-KBPBESRZSA-N 447.435 0.933 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1305117745 NBMVSQUEAOYFQI-HNNXBMFYSA-N 437.504 0.766 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2CCOCC2)C1 1316354074 MTOJPDNLSDSOKY-KRWDZBQOSA-N 438.554 0.778 30 20 ICED CC[C@@H](C)[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(=O)NCCN1CCOCC1 1356422784 DFGDHRKFXXZMJN-CZUORRHYSA-N 435.550 0.974 30 20 ICED C[C@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1494595763 ZGTBLKRIEFYNMM-JKSUJKDBSA-N 426.481 0.375 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1618709807 NRMDBUPOKLQQTR-QZTJIDSGSA-N 442.476 0.095 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212963 RUCMFARYNXUQEU-LKFCYVNXSA-N 426.545 0.876 30 20 ICED N#CCCN1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1665598867 TZCSVPVGJXLHFI-LJQANCHMSA-N 436.534 0.885 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1692804814 UAVDROWLVQNXAV-CRAIPNDOSA-N 447.565 0.727 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CCO1 1698494134 SEHNZYWTYQOVPZ-KBPBESRZSA-N 436.469 0.522 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1710484240 RZXFLHUXOBBDDE-DYESRHJHSA-N 434.541 0.770 30 20 ICED CS(=O)(=O)CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1712695280 ORVWZBOUBPUBSZ-OAHLLOKOSA-N 441.579 0.745 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)cn1 1729570785 JYBLARJYGUTDSN-MRXNPFEDSA-N 427.490 0.859 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1752452651 QYBDTIIFEOBOHA-NQYLQCIDSA-N 431.518 0.980 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1761362905 JEUKPHBRSKEPMT-ZFWWWQNUSA-N 429.568 0.743 30 20 ICED CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762401990 GKHBZEWUXCLVDX-GDBMZVCRSA-N 439.586 0.616 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778014893 GOBIPNCYLUEBKL-IIBYNOLFSA-N 434.493 0.998 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778595103 VSWSGKRDTWXGIL-HSZRJFAPSA-N 437.500 0.871 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)cc1O 1779441359 SZJTYXZGVQRVLD-CUKRGZBSSA-N 429.477 0.965 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298199 ADCNWVMYSCKWEG-QRQCRPRQSA-N 430.480 0.937 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(N)=O)C2)c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c3ccc(C#N)cc3)C[C@@H]21 1783672618 DMZGCORZVFAQQC-FHWLQOOXSA-N 427.505 0.352 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)c1 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0.759 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1792812929 QZVBEJBRPPDNMO-UPHUGPLXSA-N 440.500 0.661 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1792813078 WLXYSTAAARULQC-CWPLJXCYSA-N 426.473 0.270 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796100595 VXQYEDHLNJWKDS-SCAQPMJSSA-N 425.493 0.214 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C)C(F)(F)F 1799683711 KWKZRDQTEXAVNL-OPDFLTKYSA-N 437.415 0.538 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccc(F)c12 1800121985 YJCSWYQXZBRRBX-JLVBRIDZSA-N 442.495 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@H]1C(=O)OC 1800955004 ZFGZPRSJTASPKU-XBHNPHFMSA-N 445.516 0.190 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801379027 JLYAJAVSLFFJBQ-YMJAIMFLSA-N 430.553 0.641 30 20 ICED NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1 1801655194 AABUAEGAFAVCKH-MDFTXWJJSA-N 444.488 0.518 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1801762087 ACIWJNGOBQWRKA-HKAGCZBPSA-N 427.505 0.110 30 20 ICED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)C1 1802405265 IWLFXBRUOCSJHI-GHTZIAJQSA-N 446.573 0.784 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1803546926 CCLLXMAFXLGZIH-FRFSOERESA-N 425.445 0.641 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1807026862 UZOQZGGZIAKPGJ-QAPCUYQASA-N 446.404 0.326 30 20 ICED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)c(C#N)c1 1807058525 FEUANNVVQQJYEI-VGOFRKELSA-N 449.515 0.693 30 20 ICED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1811536043 BCLVYBAUSOUTDL-DENIHFKCSA-N 435.532 0.848 30 20 ICED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815211482 KBGJPWCRZKTRKT-BXUZGUMPSA-N 441.452 0.433 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819368198 JCLRRKBHPAJEJH-CABCVRRESA-N 429.477 0.900 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)NCc2ccco2)[nH]n1 1822200782 OEPKMZFQIGCYHK-BVBGJJFLSA-N 439.428 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 1829765204 MJLLUZJFRVZRRH-FUMRIQNTSA-N 445.491 0.683 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1830061410 BJEPLRUPAREJTB-QFIPXVFZSA-N 438.488 0.887 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1831209525 VTNRELYOFANMJV-MRXNPFEDSA-N 436.358 0.211 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831392210 BZQYHLXFOXBOHN-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831394073 VQBIDEDGHAQFTN-BTYIYWSLSA-N 427.461 0.066 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)cc1 1831742480 VSDOTDCNXLMGCA-HXUWFJFHSA-N 427.486 0.722 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc(O)n3)CC2)CC1 1833074017 YJJKVFIMADBBSO-SREVYHEPSA-N 441.532 0.831 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971800 HQKKUDGIIPQIRV-KKSFZXQISA-N 449.508 0.537 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837395058 OOTISXOIQBNODK-QRWLVFNGSA-N 438.912 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837401985 BLJIQHSPKLZZCX-BVZALQNUSA-N 446.548 0.544 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837442070 NPCJFPWCVARYSO-WWOVWOHCSA-N 436.553 0.731 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cnn1C 1837488569 KUUNRFNJLXCFML-HSZRJFAPSA-N 444.532 0.497 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531533 PBRFQQRTPPRREH-VNFKXGFSSA-N 447.492 0.384 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)c1 1838402021 GZMCLAPCVKTSKI-JOCHJYFZSA-N 445.520 0.149 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)c21 1838433447 BYLOOXWHZCBNPX-HSZRJFAPSA-N 438.484 0.762 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838507205 OGCQBEIHAFFJRG-FQEVSTJZSA-N 427.486 0.570 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(C#N)c1 1839130999 HCOFBMFWURPHCH-MCSCQSGASA-N 443.500 0.337 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839303043 ZOQNCIGSOKCPIE-QJKPHDSHSA-N 447.463 0.460 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1839924179 VRTJGCYVPKDNDY-XUERSVHISA-N 428.485 0.900 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840851714 QLRZFXQXQHLQSU-HGHGUNKESA-N 425.526 0.339 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840922581 WEVOCVZERJTBJL-QVKFZJNVSA-N 429.477 0.052 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846982492 WKAXGZAGCLHKNK-OAHLLOKOSA-N 434.518 0.468 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC1CCCCC1 22621436 YPYAGXBNXUJHTQ-CYBMUJFWSA-N 436.490 0.927 30 20 ICED N#CCCn1ncc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1-c1ccccc1 430644597 ZDLZPQVMPUAYAI-RTBURBONSA-N 443.529 0.379 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(CC)o2)c1=O 471211320 PBZRDNMSENVQIU-UHFFFAOYSA-N 449.554 0.235 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cccc(OC)n2)c1=O 479379472 GPEVBNSLFAGPHP-UHFFFAOYSA-N 429.498 0.995 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480794937 IPWGELOQGFKIKI-ZDUSSCGKSA-N 428.536 0.155 30 20 ICED Cc1nc(Cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)no1 486360169 LROAMWYLEJTYAJ-UHFFFAOYSA-N 442.461 0.036 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 492560200 OCAPFRUXQAAVJW-UHFFFAOYSA-N 431.460 0.914 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 494097886 ZEMZBOQVCFWOKV-UHFFFAOYSA-N 438.487 0.473 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCC(=O)OC 501762745 PBBLXTYDZNEKGL-UHFFFAOYSA-N 428.514 0.677 30 20 ICED N#Cc1cc(F)cc(C2(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)c1 512718731 RZWQIUJNPJJQMB-UHFFFAOYSA-N 436.509 0.887 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1Cc1ccon1 531684475 OPUSHRFYJSDOFK-UHFFFAOYSA-N 440.481 0.521 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537159834 NTLJKOGUBWFAAK-MRXNPFEDSA-N 425.580 0.424 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 541363973 WZNMOLNJGQMZIG-OAHLLOKOSA-N 443.504 0.333 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 546210839 XEOUNWBBSCLFJZ-CQSZACIVSA-N 432.462 0.344 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 549650821 LQJOUBGEAHHRJC-KRWDZBQOSA-N 446.533 0.847 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)CC2)c1C#N 557335929 MWHSOXVZALZTAP-IRXDYDNUSA-N 429.569 0.733 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558055313 DITKHFXLEHIFTO-WOJBJXKFSA-N 441.532 0.345 30 20 ICED COC[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCO1 570245790 RRWJCVUHCNLPCQ-HOTGVXAUSA-N 443.460 0.765 30 20 ICED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCn1cnc(C#N)n1 573377133 BVKBUWSOJWYNAE-GOSISDBHSA-N 448.505 0.430 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 575373345 NNOLZTPHXHNGGC-CTNGQTDRSA-N 442.541 0.836 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 577689125 FULYEPAFEJDASH-UHFFFAOYSA-N 444.488 0.105 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 582802802 LSQNIWPNOVZESF-ZDUSSCGKSA-N 432.506 1.402 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCc2ccc(OCCN3CCCC3)cc2)CC1 588124089 VHFJHUIKGFLCLY-UHFFFAOYSA-N 427.549 0.924 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 604218775 JXIPVDROARNLLB-UHFFFAOYSA-N 444.473 0.509 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 608858607 ZTVVYXZCGHSFAV-HNNXBMFYSA-N 434.561 0.590 30 20 ICED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610484171 ZGYJBMOTEUJHBY-GOSISDBHSA-N 426.514 0.879 30 20 ICED Cn1cc(-c2n[nH]cc2C(=O)NCC#CCNC(=O)c2c[nH]nc2-c2cnn(C)c2)cn1 672947482 NAIJQVMOKFOFIW-UHFFFAOYSA-N 432.448 0.097 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1=O 685030940 OWVXLVZIIABODZ-GOSISDBHSA-N 427.505 0.258 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C(C)(C)C)c3)c2=O)cn1 726180680 SEXRZZJHQGOCOU-UHFFFAOYSA-N 425.518 0.316 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160735 JCLXQKWIRNGTRB-UHFFFAOYSA-N 433.493 0.580 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1 728533476 KICNUPOSKUDARI-UHFFFAOYSA-N 428.518 0.262 30 20 ICED C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)CCC#N 729667120 NFOYAWYKQUJBAR-CQSZACIVSA-N 439.490 0.820 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NCC 731647255 RHPFGQMBGVXJHJ-AWEZNQCLSA-N 430.552 0.339 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)cn1 732563862 FTOUVWFFDHZORL-UHFFFAOYSA-N 436.559 0.289 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)C[C@H]3CCCCO3)C2=O)cc1 733858553 ZPLZDZRVRONJKK-HZPDHXFCSA-N 434.474 0.778 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 747823847 VREOHTGMILINDS-QGZVFWFLSA-N 437.587 0.725 30 20 ICED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 749627343 JEMDMRIIVWTRBD-UHFFFAOYSA-N 434.453 0.509 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)CC1 749874517 LRFHDISDVJTBRS-QFIPXVFZSA-N 426.473 0.392 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 755547420 OJKPRCVKDQFWOC-JSGCOSHPSA-N 443.460 0.856 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758053670 VOTHLBJJBMIVSY-OAHLLOKOSA-N 428.539 0.880 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758646333 WJAKUQSBAVOGGN-UONOGXRCSA-N 431.515 0.354 30 20 ICED CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 763155354 RNEXZGBLAVGKAF-FQBHQIBISA-N 447.521 0.996 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763460614 LHPSUYONDDPACY-UHFFFAOYSA-N 427.574 0.934 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)C[C@@H](C)O1 766613137 SVSQDSHPITZFJH-IYBDPMFKSA-N 435.550 0.138 30 20 ICED CC(C)c1ccnc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 767196059 CGRJYEPITFDLHG-UHFFFAOYSA-N 428.518 0.987 30 20 ICED CCOC(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 768612661 HDLRVUCPBDXGRA-UHFFFAOYSA-N 449.485 0.278 30 20 ICED CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 773094175 KFHZIPGEKPZUIH-UHFFFAOYSA-N 426.476 0.533 30 20 ICED CN1CC=C(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 776070713 ZCKBCGXTWVFEDD-PTGBLXJZSA-N 433.534 0.816 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 789957801 XJTJXIUWNMWNLS-UHFFFAOYSA-N 429.499 0.014 30 20 ICED C=CCN1CC[C@@H](OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798560002 IQIHDCVCRXDYBK-QGZVFWFLSA-N 438.502 0.589 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 807510599 KVNPEAGHQCGGSF-OAHLLOKOSA-N 448.528 0.745 30 20 ICED CC1(C2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)OCCO1 808242554 ZQNUGFCFOHCWLB-LJQANCHMSA-N 440.500 0.777 30 20 ICED C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 818595707 KNDXJRGRIVVDFP-HNNXBMFYSA-N 425.507 0.681 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCCS1(=O)=O 1290865669 VMDMRGDSIYBGEF-HOCLYGCPSA-N 430.538 0.931 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CS(=O)(=O)c2ccccc21 1298365875 DDADAVKYWOGCBS-CYBMUJFWSA-N 433.511 0.803 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1299296516 MCYQXJLLSUTZFZ-LLVKDONJSA-N 444.315 0.314 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1492605745 LTYVOSADECCDKB-APWZRJJASA-N 449.512 0.805 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1554431671 XWNYMOJWPCXECM-VGOFRKELSA-N 440.504 0.843 30 20 ICED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1628651182 OPHDPFONFUNIOY-VQIMIIECSA-N 432.546 0.184 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C(=O)Cc1cccc(Cl)c1 1634636733 ZYMLZJNUXDMUMB-CYBMUJFWSA-N 429.864 0.776 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1696959284 ZIEGLDRHSQENQS-UHFFFAOYSA-N 435.492 0.868 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709437300 JHXNVQHNLZWQRV-ALKREAHSSA-N 439.586 0.616 30 20 ICED CCN(CC)C(=O)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1709992197 SDDGBYXLDBOOOU-GJZGRUSLSA-N 441.558 0.266 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@H](C)C1 1722781322 FFFRWQXLQDSFCC-CQSZACIVSA-N 431.522 0.423 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1741918350 OCGASQSVUMJRJU-ZDUSSCGKSA-N 425.559 0.791 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@]2(CCOC2)O1 1752319567 QXNCUSXRBBZDAB-MGPUTAFESA-N 446.533 0.750 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779073211 MYNNFDHOAGFMGT-SIKLNZKXSA-N 443.456 0.497 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1779534858 WUCAOINZXYZXKT-DNVFCKCGSA-N 445.560 0.890 30 20 ICED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)S)C2)cn2[nH]cnc(=O)c12 1782183663 AAQPDLYRECQNRJ-XBHMSOGKSA-N 433.534 0.777 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676894 MYYGYDXVVWSTSP-KQBANSRISA-N 429.433 0.103 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)CCO2 1783053326 WYTSXHRBIDCTGV-DYESRHJHSA-N 437.418 0.614 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567463 QFHNMYDRWWOAQV-ZHRRBRCNSA-N 449.504 0.694 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605093 FCJMMJHWOXGYNL-TUFLPTIASA-N 442.516 0.232 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783908526 WKQNAHSSVJZISW-JOCHJYFZSA-N 439.472 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)OC)C3)[C@H]2C1 1784075429 HIRLJNISTKOJQB-WUAWGRHNSA-N 447.532 0.414 30 20 ICED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676943 ABZWLIOIARIYJF-GEYUMRBSSA-N 427.461 0.791 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788732114 KAWVXANBEHPPMT-VJANTYMQSA-N 446.548 0.858 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788755197 FEHRNDTWPMODAI-UJNZZBMASA-N 428.464 0.981 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1cncn1 1791616730 JBFWDESPZLMPSH-CJCBUOBESA-N 448.487 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1792490661 KIEKMJFUTAPDNI-GXDSFMDGSA-N 444.444 0.362 30 20 ICED C=CCO[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 1792884711 WHIUCZYXCBEGSS-NQNKBUKLSA-N 441.525 0.053 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1793342410 MLCYYPDNQAZSDU-DCXXXQMHSA-N 448.541 0.478 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1793354837 UFDLQRCCLRBUGH-JUZZZCAGSA-N 433.549 0.958 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)cccc1=O 1794586707 FMMBUMSQEWQJBQ-FAQVEIGNSA-N 438.459 0.842 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795423969 SCSBLQSBKZZXQM-KYHPRHEASA-N 436.509 0.516 30 20 ICED 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C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668416 VRKMFUXTKMDGQX-KGLIPLIRSA-N 432.481 0.527 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819904754 IJXJVFZQWQUMCS-REZJBDOASA-N 446.489 0.981 30 20 ICED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)C(F)(F)F 1821993875 FABHCEUWJSQTKG-CQSZACIVSA-N 433.431 0.807 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1823745467 HZUIQFWADAIJJV-TUYSUELWSA-N 445.520 0.016 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1830061691 SAPVWWMQFVUILT-WMZHIEFXSA-N 439.516 0.759 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2)c1cccs1 1830596926 LBQZKGDLKDLLGR-LYSGITKLSA-N 432.498 0.923 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830679357 OJVTWTGLWBBTMH-BPMZZNLFSA-N 447.557 0.634 30 20 ICED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831035776 TWACINOHRAXRRR-FQEVSTJZSA-N 437.880 0.901 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC(=O)NC)CCO3)C2)c(O)n1 1831267899 HSIAIWFHSGKWSY-QFIPXVFZSA-N 446.504 0.112 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831330204 UWQTYZOOWRWNPJ-FQEVSTJZSA-N 430.567 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OCC)c3O)C2)C1 1831399693 ZBSHJMDNNPDBNO-UZUQRXQVSA-N 446.500 0.899 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831425559 AWRPXOQTOAWQNH-VGOFRKELSA-N 428.489 0.995 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831483831 OZYVVTXQOPLRME-AEFFLSMTSA-N 434.580 0.303 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831499608 XIQXBBRRFLZLST-JXFKEZNVSA-N 445.582 0.922 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831689239 LQSGIZFBULGVQD-FQEVSTJZSA-N 427.567 0.524 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831817276 YOTUORRDBZBINP-UWJYYQICSA-N 435.525 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cc(C)[nH]n3)CC2)CC1 1833074895 FOTIDBGDHKVUIO-PLNGDYQASA-N 442.564 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)[C@@H](C)CC)CC2)CC1 1833075917 GRNYYBQLBGXWAA-WJBDPIGGSA-N 433.597 0.790 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1833427270 QQVKWJWZJBREGV-IFXJQAMLSA-N 445.589 0.774 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833754787 FXBYLEDBJRNFII-KHLOOKIASA-N 447.488 0.991 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1835100374 PWCXQVVXWNFNAS-XMMPIXPASA-N 434.496 0.951 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835123130 YYQPISBFRRLXAH-OAHLLOKOSA-N 428.537 0.938 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)ccc1[N+](=O)[O-] 1835365006 MHMIXODLBDELNK-HXUWFJFHSA-N 432.433 0.977 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c(C#N)c1 1835528999 MYQIAFRVADCYOR-AOMKIAJQSA-N 430.505 0.161 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836902934 YSRSMGOTISWWMT-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971799 HQKKUDGIIPQIRV-IIBYNOLFSA-N 449.508 0.537 30 20 ICED COc1ncc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1F 1837287721 SXXLBAYYVGKUIA-UHFFFAOYSA-N 433.436 0.930 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1837399647 YOSHOWXIHKBEKZ-VGSWGCGISA-N 446.504 0.050 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838106485 ZYWLXXKTOOTCQV-OAQYLSRUSA-N 433.461 0.149 30 20 ICED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734589 DSWNUZINENOADA-IBGZPJMESA-N 430.490 0.617 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Br)nc1)CCO2 1839027966 DZAKZXIVXKFIPG-SFHVURJKSA-N 437.294 0.757 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1839194888 QNYIDHHQDNOVMM-OAQYLSRUSA-N 440.613 0.503 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839196148 WWCJSXJABJLMLT-HTAPYJJXSA-N 431.489 0.393 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839213771 ZAHXXIIWRWBSDE-CVDCTZTESA-N 425.485 0.115 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839226839 FKSRUNLWHVCHMH-IERDGZPVSA-N 434.493 0.256 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273572 JYANAWSPAFIUDM-BTYIYWSLSA-N 449.460 0.962 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1)C(F)(F)F 1839893485 WGYHDCVEOSERPP-SFHVURJKSA-N 446.426 0.718 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1 1840039982 LDZKCQKXMLOUMS-NJNPRVFISA-N 430.432 0.474 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840164858 QUYKUYZIRASLBS-DNVCBOLYSA-N 428.551 0.694 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360462 FACSEHGWPOFXSG-DRSNIGMVSA-N 432.521 0.562 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1cncn1 1840414974 LYJJPNGLRUXSOM-JTSKRJEESA-N 438.488 0.410 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840577128 LJCKFQLUZINBPH-JVIUNVGKSA-N 441.550 0.867 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840842058 KQPXGPCDGMRKBS-SFHVURJKSA-N 439.310 0.666 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1841431320 NGJMDPIONQQWLO-HNNXBMFYSA-N 431.493 0.979 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845131580 QJWYFPAURQBTBK-HNNXBMFYSA-N 435.525 0.555 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cncn2)C1 1846602939 OJGYCWTUCBUOSJ-HZPDHXFCSA-N 430.509 0.959 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCN(C)C(C)=O)C2 1847068937 HVKIZZWQEUMALU-QGZVFWFLSA-N 434.537 0.975 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1O 1847264757 FIDFCPNEZVIFKM-HZZRGNMLSA-N 427.457 0.877 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2nc(N3CCC[C@@H](S(C)(=O)=O)C3)ccc2C#N)C1 436349394 CKYJDNXLNFJTMA-CVEARBPZSA-N 426.564 0.980 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 438754869 LKWJCDHGYAGDTE-UHFFFAOYSA-N 439.513 0.899 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)C1=O 440271987 YZJKSASHRDLLQV-QGZVFWFLSA-N 448.907 0.996 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 443110166 ODNLPQBGJKLLPQ-UHFFFAOYSA-N 438.412 0.878 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444596492 QAVCKVLXXNGBGJ-UHFFFAOYSA-N 444.517 1.013 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cc1[N+](=O)[O-] 463355115 UMMGCVJAXUMPRQ-UHFFFAOYSA-N 444.491 0.543 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 472975601 DYJOVQOYWKMEPC-SFHVURJKSA-N 441.467 0.973 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 476212562 UNVORINJXLQVNM-UHFFFAOYSA-N 440.569 0.498 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCCC(=O)OC 478855357 ZWRNDUWHKLKENH-UHFFFAOYSA-N 443.529 0.446 30 20 ICED N#C[C@@]1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCOC1 484321114 KRGJLSOWHZUYTE-IBGZPJMESA-N 432.458 0.374 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 487128909 FESUYNAAULPQFH-SFHVURJKSA-N 427.486 0.806 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 489289054 WCMROYIKEKNENQ-KRWDZBQOSA-N 427.548 0.791 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnc(CC)o3)c2)CC1 491171452 KGAMFFYTNFAMLO-UHFFFAOYSA-N 426.477 0.684 30 20 ICED CCOc1ccc(NC(=O)C(=O)NCCCCC#N)cc1S(=O)(=O)N1CCOCC1 510332591 RQRGUUWQRYPKGQ-UHFFFAOYSA-N 438.506 0.855 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 521838879 GSKVQHDFBPRAKR-UHFFFAOYSA-N 439.490 0.836 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 523120965 IPQMRHUCUCNLKM-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOCC 523476876 USFCNUSJQICYKM-UHFFFAOYSA-N 447.513 0.664 30 20 ICED CCOC(=O)c1c(NC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)c(C#N)cn1CCOC 548502942 PKKYGBWHDRGYPK-CYBMUJFWSA-N 427.483 0.338 30 20 ICED CCOC(=O)c1c(NC(=O)N2CC[C@H](S(=O)(=O)NC)C2)c(C#N)cn1CCOC 548502943 PKKYGBWHDRGYPK-ZDUSSCGKSA-N 427.483 0.338 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 554348812 MNHQWFKUUMUXSR-ZIAGYGMSSA-N 433.494 0.769 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccccn4)CC3)CC2)nc1 559681048 IJDQJZVNLCHAQO-UHFFFAOYSA-N 433.516 0.778 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 567223251 CPEPEYRWDATYOJ-HNNXBMFYSA-N 441.517 0.970 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 569510937 FWONAIQPAQBGRA-QGZVFWFLSA-N 429.440 0.995 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 572053146 NGPMSOLXWWOXSS-UHFFFAOYSA-N 430.490 0.731 30 20 ICED CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 575222762 SEZKBFXJERQFGT-UHFFFAOYSA-N 445.487 0.541 30 20 ICED CCOC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 579095235 JJDXTDYFOSMYHM-SFHVURJKSA-N 426.473 0.972 30 20 ICED CN1CCN(c2cc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)ccn2)CC1 580261511 KKIKYEPVLYRKTQ-UHFFFAOYSA-N 428.518 0.300 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 580477416 MRUHDTMTNVYZTD-LXZKKBNFSA-N 442.563 0.449 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 585710803 RXMSMBNGSDJSJX-UHFFFAOYSA-N 446.471 0.969 30 20 ICED CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123854 MJOGLUPLVWMTIF-NHCUHLMSSA-N 432.613 0.886 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C(=O)N1c1cnn(C)c1 589403695 TYJXSVJBXCGVOT-SWLSCSKDSA-N 433.432 0.121 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(C)C 603796663 VZKYMXMAVMLKPQ-UHFFFAOYSA-N 430.486 0.740 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 603796758 NYLJIVBLMCSCKI-UHFFFAOYSA-N 444.532 0.410 30 20 ICED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119634 LLNXOHMYTPMCBM-UHFFFAOYSA-N 433.555 0.751 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1C 611187478 LQKKTFCVSNBWFJ-MRXNPFEDSA-N 444.517 0.840 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)nc1 684535551 RHEFOBCGLJLHEQ-OAHLLOKOSA-N 440.525 0.200 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(N)=O 727160623 GWCYZTHMJQBQNX-UHFFFAOYSA-N 434.905 0.086 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 732444400 LSBWCEJBWCKFGH-QZQOTICOSA-N 426.521 0.760 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 742607399 OYHLFOKQUZDRNS-UHFFFAOYSA-N 434.518 0.442 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1[C@H](C)c1ccccc1 743726342 NFROTBFAOUKBNV-OAHLLOKOSA-N 437.525 0.611 30 20 ICED CN(C)C(=O)COC1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 752733071 WMEIQAMQZRZAKD-UHFFFAOYSA-N 436.534 0.601 30 20 ICED CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1=O 760267617 KNHVJAMIUBVAML-UHFFFAOYSA-N 426.432 0.474 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 761035729 CNKRLIJWEQYPEU-UHFFFAOYSA-N 442.563 0.511 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 762607454 XYGWGNDNBBSJLI-CYBMUJFWSA-N 446.489 0.357 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCS(=O)(=O)CC2CC2)C1=O 764875257 MAPFASRPXFMQRH-VFOOBRQFSA-N 438.575 0.885 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 766257234 VZCCGESHBLSFAE-UHFFFAOYSA-N 445.476 0.701 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 775009679 TYRQGPIFUXNUHB-IBGZPJMESA-N 427.505 0.960 30 20 ICED C#CCN(C(=O)C(=O)Nc1nc(-c2cccc(OC)c2)ns1)[C@H]1CCS(=O)(=O)C1 783479232 BLXXKCRFUPAFQZ-ZDUSSCGKSA-N 434.499 0.801 30 20 ICED Cc1c(Br)c(C)n(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(=O)c1C#N 791171433 VAPOSZKRNXUYAW-UHFFFAOYSA-N 431.312 0.841 30 20 ICED C=CCN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 791330809 ZGYUSSUVLXNYDF-DOMZBBRYSA-N 427.910 0.516 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n(C)n1 793075644 ASDSXIKKWQRLTJ-HAVVHWLPSA-N 432.506 0.796 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 799268056 FIECMUFYJGJMGI-KRWDZBQOSA-N 434.518 0.071 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)c1 807001563 FQSPJCAMQQVZBL-UHFFFAOYSA-N 443.481 0.915 30 20 ICED CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)o1 809174125 RRVZTMXLMGPSOY-UHFFFAOYSA-N 447.516 0.185 30 20 ICED Cc1cnn(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 919639076 XCGCOWHHFDFCAV-UHFFFAOYSA-N 445.501 0.530 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NC3CCCC3)cc2)CC1 919665596 CZWSBTUNZWCFTO-IBGZPJMESA-N 446.529 0.921 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1296606236 NMTOISAOOMBQLZ-JCGIZDLHSA-N 427.502 0.807 30 20 ICED CN(CCNS(C)(=O)=O)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1328177742 MZSFUCQYAQLNLL-UHFFFAOYSA-N 430.552 0.293 30 20 ICED CS(=O)(=O)Cc1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1 1339684203 IRYFHXCIKDHRTG-UHFFFAOYSA-N 429.501 0.470 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CCO1 1555992323 NIUDVJPTTRTOIF-UZLBHIALSA-N 446.895 0.742 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1695911215 XOVWDDRCDWHFGG-MOPGFXCFSA-N 444.584 0.403 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](C)N(C)C)CC2)c1C#N 1707807702 JYAQVFBDERXKGC-DOTOQJQBSA-N 427.557 0.972 30 20 ICED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N(C)C1CC1 1741802671 KHOSGKLJGCFAIS-HLLBOEOZSA-N 439.586 0.832 30 20 ICED Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1742302654 IKHGJFAAWBTZIL-KRWDZBQOSA-N 425.493 0.884 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC(C)(C)C1 1751204427 OZQGJYTYLCWQTI-CABCVRRESA-N 427.575 0.737 30 20 ICED COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1770304127 QVJFICYDNYHXNI-DLBZAZTESA-N 439.476 0.397 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(O)c2)C1 1770351806 YDARCZRJGKLHCQ-DLBZAZTESA-N 448.505 0.094 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778352299 PILWEMUMLAAQNG-HSZRJFAPSA-N 434.581 0.973 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779139669 YGJHQLKMVMVXRF-FFCJBUTOSA-N 427.461 0.821 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)c1 1780179870 VEDVTFVLRDJUKQ-AUUYWEPGSA-N 427.421 0.959 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1781267907 AAVPMCSUVFSQKG-OAQYLSRUSA-N 433.461 0.349 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1=O 1782192575 LNCFPTVZGWJLFN-QHCPKHFHSA-N 446.467 0.891 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1783532736 CIPZVEGWEMKBDM-VZEQFXGLSA-N 425.489 0.328 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783921215 LLNYKKPZMXINGU-VFNWGFHPSA-N 439.509 0.849 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351328 JYLJNZPCNRXODQ-OAQYLSRUSA-N 434.493 0.070 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccc(=O)n1O 1785632699 WOMNVFRZEOEHAX-PPYUBFJKSA-N 448.476 0.208 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785685521 RKCBYRABPFTLGG-RMRKRWHISA-N 441.575 0.538 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc2ncnn2c1 1788451926 JNRMLCNQJPAINV-XGZMRPLRSA-N 439.520 0.794 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788725933 NKXPSQHBISGZAC-UJZSUIGLSA-N 428.493 0.606 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]32)c1 1789255951 GOXFASSETLAMES-UVDFWXMISA-N 428.489 0.672 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)c1 1789509299 LOTSLQMGAQIEPN-BZSNNMDCSA-N 431.456 0.903 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1789957440 TYMUHUNUPZNXHF-RFGFWPKPSA-N 436.431 0.446 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3F)[C@H]2C1 1790052723 ZDFSTRCXQIARLY-MZUPBALQSA-N 431.464 0.983 30 20 ICED C#CCO[C@H](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 1793340346 SKGFITATUYNFQX-WCXIOVBPSA-N 437.537 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793572671 LLYFSQHKCSJMFZ-JONQDZQNSA-N 448.483 0.861 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1793598976 JLNJOIMFIYDBJY-DFGXFYAUSA-N 441.525 0.054 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c(O)n1 1794491254 ZHEXQUMOJYNXBU-IHSNIMORSA-N 442.516 0.635 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780758 KWPLZVVETORIAS-WERVVEIQSA-N 428.533 0.807 30 20 ICED CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)CC1 1797810858 ZMSNORJXTZTEAI-UWPRVLOBSA-N 436.553 0.837 30 20 ICED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2(O)CCCCC2)c(=O)nc1O 1798469934 APBQGJWLELPKMK-BCDXTJNWSA-N 442.516 0.594 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1799303937 DEDKKPNTEBRXAQ-CCWDJLKJSA-N 432.477 0.378 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)ccc1F 1799326210 MTNKEAHWQMZUIO-YVWYUNDQSA-N 428.420 0.624 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(C(F)(F)F)c1)C2 1800781131 ITVONBRSSPIMFL-HBCWATKFSA-N 439.390 0.711 30 20 ICED O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CCN1 1801067079 QRKPINVZZBVJBI-PZTGFMGMSA-N 429.904 0.807 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1807145990 SYWZCKBWENHLPQ-NQIIRXRSSA-N 440.548 0.992 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1807205483 NVKLNIZYYODQQW-FUHIMQAGSA-N 446.504 0.660 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811541095 RJILGLMSLQWOSQ-HFSMHLIXSA-N 438.488 0.252 30 20 ICED COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819608144 OGBFGMUFPLHQDN-IRXDYDNUSA-N 447.540 0.835 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)s3)C2)C1 1829764605 PMODJNJLRDZEIL-NGXITPROSA-N 433.530 0.985 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1830461400 GNLPFWMEHJDQAE-NRFANRHFSA-N 425.445 0.644 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830644531 NLSSJHOMMZVZSP-QFIPXVFZSA-N 430.505 0.468 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1831396920 SYMNZYAVXWTQCO-KSFYIVLOSA-N 426.473 0.671 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831485474 VJNRFJWVWPHXOS-QFBILLFUSA-N 442.513 0.807 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1=O 1831888063 OLQAWRSZUDDVOV-QHCPKHFHSA-N 436.468 0.641 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1832068716 HPXMJVLATLZPLE-WMZHIEFXSA-N 442.516 0.488 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)CCO2 1832080247 JFSWWKRSIWZPOQ-FCHUYYIVSA-N 435.521 0.866 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1832917144 GHVAIRGNPXVTEX-FHWLQOOXSA-N 449.596 0.809 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833276003 BLFVRMAFSKDDMW-HSZRJFAPSA-N 436.468 0.770 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C(F)(F)F)CCO2)C1 1833329679 GWSBOCSIQCIHJO-BZNIZROVSA-N 436.456 0.827 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)OCCO5)C3)C2)CC1 1835341767 FKWBTCRILRUOFX-JOCHJYFZSA-N 427.457 0.832 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729986 VUOJXLGAUZJJMJ-MXJLDLDKSA-N 434.585 0.541 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837396592 GKXSUEULOASWTK-OPAMFIHVSA-N 443.504 0.601 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524608 CMZRKHYWQWLJEN-RJGDLVSHSA-N 449.508 0.328 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732864 CTRANMLSXVRCPT-GOSISDBHSA-N 431.478 0.163 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1839174052 CGANEPSPBIIUKO-NRFANRHFSA-N 432.477 0.364 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839637697 QQFXUOPAPCKOSZ-FDDCHVKYSA-N 428.533 0.897 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839697292 ORNMKQSQFXZWGO-RRFJVIBWSA-N 434.562 0.790 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3C[C@@H]3F)CCO4)c2c1 1839771514 KUZYENPOWDYHTI-HTZUNMPGSA-N 427.436 0.863 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920151 FTHQIJXCYIBIKT-DOMZBBRYSA-N 427.712 0.851 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1840040131 PDGNURDHJUFDTK-DAWZGUTISA-N 430.379 0.263 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)C1 1840041205 YFLRRKBRRJKIGP-IYZQMXKPSA-N 437.452 0.726 30 20 ICED COc1ccc2oc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1840042119 BROZFFOKIRCKMG-JOCHJYFZSA-N 442.424 0.599 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049874 QBWVVIMJALADNW-YFARLYCMSA-N 434.537 0.482 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2)C(F)(F)F 1840648523 QAFRVGIHFNYGBB-IBGZPJMESA-N 441.406 0.974 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840841041 ZXXYECGPGKOTLE-HSZRJFAPSA-N 427.501 0.628 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1847262984 QPBCOXSKSUWXDA-FEFZKZJHSA-N 432.502 0.159 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 32766885 AVYGPKRMPXECHL-CABCVRRESA-N 444.435 0.848 30 20 ICED COc1cc(C=NNC(=S)NC[C@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 254415788 BBLSGKLIGBMUNC-MRXNPFEDSA-N 436.534 0.910 30 20 ICED CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)N(CCC#N)CCOC)CC2)nc1 409566622 AJSPXTMKHDSZIU-UHFFFAOYSA-N 439.538 0.877 30 20 ICED CNC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]c1C 410302275 MAXDFUUWGMIVBJ-UHFFFAOYSA-N 430.490 0.989 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCCO1 433639395 XQEHGACIDJWLIL-HNNXBMFYSA-N 428.468 1.439 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437041647 XAHRVXKOTVIGOU-ICSRJNTNSA-N 444.532 0.785 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465065729 JVXUBVMWZAXSDJ-ZBFHGGJFSA-N 428.536 0.326 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 465266669 NUVZWCXPJXFVTI-AWEZNQCLSA-N 432.481 0.893 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471064844 GVOFOWNBDQEEMF-MRXNPFEDSA-N 447.517 0.358 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)CC2)c1C#N 471836068 IGZZBFRUKJYSKY-CYBMUJFWSA-N 431.522 0.840 30 20 ICED C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 489640639 KWGBEBKKPUXXEJ-UHFFFAOYSA-N 442.501 0.998 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 502866910 UIZHDCVSEYYRSC-UHFFFAOYSA-N 430.486 0.547 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1 511081310 IWDYWEKPMHXLGU-UHFFFAOYSA-N 449.488 0.893 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 512438550 GWNNETRZLZDXSE-OAQYLSRUSA-N 447.605 0.826 30 20 ICED C[C@@H]([C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 519202192 DZRIOOSKOBWVNI-SJORKVTESA-N 435.550 0.683 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3ccnn3C)c2=O)cn1 523577052 QJYRAINAJJONCM-UHFFFAOYSA-N 445.508 0.991 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(F)c3)c2=O)cn1 523864003 GXDWHSRPDWTFKF-UHFFFAOYSA-N 441.488 0.520 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)cn1CCOC 537435295 WHKIYBVTDIBQBY-RRCSTGOVSA-N 444.444 0.284 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2cc(F)cc(F)c2)n(CC(N)=O)c1=O 551921419 HVKSCWGFWKFJLD-UHFFFAOYSA-N 443.435 0.101 30 20 ICED C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 555263700 HJNJHATVNXJDKE-KRWDZBQOSA-N 426.525 0.979 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)CC1 557768738 VXDGXFBKEGMNOC-QGZVFWFLSA-N 448.568 0.968 30 20 ICED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1c1nccn2cnnc12 569772968 IFWUIGHCBWQOEP-CQSZACIVSA-N 440.489 0.012 30 20 ICED CN1CCN(C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 574849828 XOBVKTCYXCBALM-NRFANRHFSA-N 441.557 0.941 30 20 ICED CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576705497 GZMVUDQVDJDIOY-ZIAGYGMSSA-N 426.433 0.647 30 20 ICED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 588460476 QXWWOYGINIGUAJ-UHFFFAOYSA-N 429.296 0.753 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc1C#N 607947649 HSCBDDVMLLEABM-UHFFFAOYSA-N 438.509 0.784 30 20 ICED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1 615632517 QNDPVYKXRAMYCR-NRFANRHFSA-N 431.468 0.762 30 20 ICED COCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402113 DOPMEFQTGHLPIV-MEUCICPISA-N 440.547 0.449 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)c1ccc(Cl)cc1 732427370 WZJGHYZGLQLSJN-NXVVXOECSA-N 426.882 0.939 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)cnc21 734586934 KHLXFSQPLDBTOU-CYBMUJFWSA-N 445.233 0.534 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[S@](C)=O)c1 737293523 MYZJDKYAQOSVCU-ANWZYTIRSA-N 442.563 0.713 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCCC2=O)cc1 741344133 PKWVXUCMUZNPKE-DQRAZIAOSA-N 440.456 0.889 30 20 ICED C[C@H](CC(=O)N1CCC(CN2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655390 MUIPGQSOECKXPX-QGZVFWFLSA-N 447.605 0.990 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 747795988 HJEXWZJOEPUOEY-XMMPIXPASA-N 437.544 0.992 30 20 ICED O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 748114604 WGZLYJIWHBSOGX-UHFFFAOYSA-N 441.509 0.803 30 20 ICED Cc1noc(C)c1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749738825 LIHHEGXRNZTFOB-UHFFFAOYSA-N 446.485 0.782 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755619824 AKTJIWMKWZCFDM-UHFFFAOYSA-N 443.573 0.610 30 20 ICED COCCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 758763215 UNTISKLVVUUJIQ-HRCADAONSA-N 444.554 0.981 30 20 ICED O=C(O)Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)nn1 759077880 ZYELOVHGMDHTNU-UTCJRWHESA-N 448.457 0.744 30 20 ICED CNC(=O)[C@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1 762771031 VXWRMVYPJMKWIT-OAQYLSRUSA-N 439.516 0.888 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1Cc1ccon1 765145301 OQSRWTWVDOSTSX-UHFFFAOYSA-N 426.502 0.582 30 20 ICED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 766560868 BUKFXYWWNKMMBZ-XTZAVPODSA-N 438.506 0.046 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2(C(N)=O)CCC2)CC1 769091725 DQVSELBPPKIIOG-UHFFFAOYSA-N 427.417 0.654 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 783480159 PIKXVRLPGUZCCE-AWEZNQCLSA-N 439.921 0.764 30 20 ICED CC[C@H](NC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787044720 IDXJOTPRTCCOKD-CVEARBPZSA-N 436.472 0.800 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 794648308 ZSGLOFOWLOSUBP-KRWDZBQOSA-N 436.489 0.828 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 795387733 YUFPWWDVXOCZOJ-UHFFFAOYSA-N 429.414 0.531 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc(C(N)=O)nn1 805942313 ZFXKMOYOZXKSMX-ZDUSSCGKSA-N 434.478 0.218 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1CCCO1 809311207 GQQWQHDNMLBQFG-WMZOPIPTSA-N 432.908 0.720 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nn3cnn(CC)c3=O)nnc12 816736552 BXOOBWSOMOAIHD-UHFFFAOYSA-N 426.462 0.471 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC 917769964 BBHLHKFWMGVNAZ-UHFFFAOYSA-N 443.525 0.747 30 20 ICED CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C(=O)C1=O 918608506 KDTQNITTXDPSIN-LTGZKZEYSA-N 435.506 0.129 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 919048905 XUOLIYGQARHEPC-KRWDZBQOSA-N 428.466 0.875 30 20 ICED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227439 RNVHLCUGPWCPCA-UHFFFAOYSA-N 428.463 0.184 30 20 ICED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 919507637 OQPFOKFWAJMBGX-UHFFFAOYSA-N 439.472 0.759 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CC(N)=O 1116874111 QOFHXWRPSRZOHG-UHFFFAOYSA-N 435.509 0.524 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCOC1=O 1293097395 JFQAVFKATQIRCW-UHFFFAOYSA-N 427.513 0.923 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1298199287 QPMGKUQGWNUDGN-GOSISDBHSA-N 426.477 0.527 30 20 ICED CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1299801331 JJKJONUHVFVYIK-HXUWFJFHSA-N 446.533 0.704 30 20 ICED COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1301342474 MPIJAPUTVSFLSL-INIZCTEOSA-N 434.522 0.751 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCOC3)CC2)c1C#N 1304730607 IOKGLSWKIKGKQA-OAQYLSRUSA-N 428.541 0.967 30 20 ICED CS(=O)(=O)NCCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1337289622 PLOHNHKWHSLICW-UHFFFAOYSA-N 429.520 0.441 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1504531801 RYHXDLZOQOFIRU-SFHVURJKSA-N 426.477 0.527 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1505325437 SIKCEFXLZKXABJ-IBGZPJMESA-N 440.504 0.877 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1635345957 KJKUIHWFTCILLE-AWEZNQCLSA-N 429.882 0.285 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)C2CCOCC2)C1 1686529549 ZWFWYTAOUZUSNG-HIFRSBDPSA-N 430.527 0.638 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691206634 MKDPYFOFNQWOKC-CVEARBPZSA-N 428.541 0.711 30 20 ICED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCN(C(C)=O)CC1 1694739913 JZLRQQXIVHBIQA-UHFFFAOYSA-N 437.552 0.598 30 20 ICED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707794977 RAEDMACPBCOXME-PBHICJAKSA-N 448.553 0.548 30 20 ICED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC2CCS(=O)(=O)CC2)cc1 1731184798 UJKIRUVVSZMFDT-UHFFFAOYSA-N 428.518 0.968 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1741133852 URGYVGBXLKXMDS-XJKSGUPXSA-N 437.501 0.789 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccncc1 1751223698 CWBMBMAOUJAOFX-QAPCUYQASA-N 444.565 0.703 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779103488 VSPPIYOLIZJEDT-OWNHUBEZSA-N 446.460 0.783 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779376012 RDHVSSQQADZAHH-IDHHARJASA-N 430.640 0.939 30 20 ICED COc1c(Cl)ccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780173464 WAHLZPJXDMUCSB-JLTOFOAXSA-N 435.864 0.959 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780333705 AKVCRGHWMVAGOG-OAQYLSRUSA-N 433.428 0.047 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362817 RVQPXOVFPWSIAY-MMXTWKRJSA-N 443.430 0.739 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)c1 1782058276 BARHRERMAKUENN-QHCPKHFHSA-N 448.483 0.564 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786158 XWDRSMUYPWVQQO-QRWLVFNGSA-N 434.449 0.178 30 20 ICED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1783220460 ZIZDTORBRSJQNZ-OAQYLSRUSA-N 437.456 0.831 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1noc(-c3ccccc3)n1)CCO2 1783564949 DUSJVPCPFRCGSM-QFIPXVFZSA-N 438.440 0.587 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1785020749 MCRVWHWBZXVMFG-IHRRRGAJSA-N 443.616 0.746 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c(Cl)c1 1786802270 DILJLNXVSMIIRA-IKICRFKJSA-N 447.923 0.398 30 20 ICED Cc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1787696221 RXAMVNUJKCOZSN-QWHDZKDYSA-N 431.493 0.907 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)c1 1790225755 GCPNAKKKBBEHQA-MRHSLFKSSA-N 428.464 0.817 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C[C@@H]21 1791075684 LXROLSVHBMHDRO-IHPCNDPISA-N 441.484 0.205 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791772085 LAIGGMDNLBMWNK-LNLFQRSKSA-N 449.529 0.351 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1792924022 DPYFQUDWJIZMOT-OPVJXMOQSA-N 439.578 0.770 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2 1793346383 OCGHVPHVFQSJEK-RPUPUWCGSA-N 441.528 0.765 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN(C)C(C)=O)c(C#N)c1 1793748110 NBZOYWBFZCUYHE-BBIADKPPSA-N 442.516 0.567 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cccnc1 1795602666 MRASFTCZNRVUTF-RZKCCLDFSA-N 427.505 0.330 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1796044801 CCXCUWCXBYFJGG-MUJYYYPQSA-N 444.492 0.677 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538432 CGRNEGQUORHSJB-ABXQLRGKSA-N 431.514 0.979 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797624847 BDOINUQCZQZZTA-CWPLJXCYSA-N 446.628 0.960 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797890433 ZKKBHNCTPHSWHQ-NWYQELHNSA-N 431.489 0.633 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nn1 1798370141 ADUVRESLDNVWAT-BNAVPPKKSA-N 433.465 0.217 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799153703 WOFOQHUUTYPNMX-QUXXCFOZSA-N 433.549 0.960 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)C(F)(F)F 1800552479 LFYQBPLKHXZXBZ-DDFAGTSDSA-N 437.465 0.555 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810326654 GSDIBHLRRVMYEB-XLIONFOSSA-N 426.521 0.269 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393121 ATMGYDSFQUOZPH-WBVHZDCISA-N 427.461 0.324 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813472751 GAOXCKJMPIXOLH-SUMDDJOVSA-N 441.492 0.845 30 20 ICED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812598 HEJGTIZFRIAYQX-CYBMUJFWSA-N 443.493 0.761 30 20 ICED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)C(=O)C(=O)O 1821715090 TZSGHYIATMBDMR-AWEZNQCLSA-N 447.496 0.227 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822697349 XMSAQVMTJMGSFX-HRCADAONSA-N 433.578 0.729 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826139460 RXVWTEXHZNUPRN-UWVGGRQHSA-N 432.424 0.772 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CC1)CC2 1826647419 YNUVLRZOJYVERN-IUODEOHRSA-N 441.517 0.829 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCO)C2)C1 1829266599 ZTZGNVJBGKPZLB-JOCHJYFZSA-N 429.473 0.081 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1829770128 DXXXOIGDHRRHPG-JXCVUKRWSA-N 445.438 0.644 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899226 WIXJFBMWVBHDKH-QHCPKHFHSA-N 437.500 0.913 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831221615 UFUXCBNTBVKGDS-LQGLAIQGSA-N 449.507 0.766 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1831393353 XIQYHSVZPRHVBN-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1831399013 NOKCQDFKVCSOHB-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831399282 VDEIKDRMOYAWOP-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1831407394 XNZLBHVNCGGIJC-RBBKRZOGSA-N 432.521 0.521 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831484749 CTFBHXSNQLRQHW-PZJWPPBQSA-N 441.594 0.800 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831488682 ZLMYREZMLCXYQJ-UZLBHIALSA-N 433.534 0.754 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833033227 TZIDGJJWQJHGPI-OAQYLSRUSA-N 433.530 0.738 30 20 ICED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833143787 QEXMIPCBKUVAFI-UHFFFAOYSA-N 449.600 0.111 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncc(Cl)cn4)CCO3)C2)c1 1833787262 CFLFHQMLZCYTAV-LJQANCHMSA-N 430.852 0.714 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1833864782 LGJRNOUZQPUBEJ-JOCHJYFZSA-N 439.472 0.684 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)on1 1834222661 NZNMJZMDJVQFFB-QFIPXVFZSA-N 431.489 0.752 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295071 BBXLQKSWKIRSIT-SHRSOGDZSA-N 433.465 0.076 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)Cn4ccccc4=O)CC3)CC2)c1 1834822783 QWOSTQHIMSQQIO-UHFFFAOYSA-N 436.516 0.933 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097399 YVPABHDRMHWJOP-NZQKXSOJSA-N 427.501 0.409 30 20 ICED O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCN1 1835102407 RACDTFLXCGMWLA-CVDCTZTESA-N 425.485 0.021 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835109944 KJBOADXLEQVXAC-XJKSGUPXSA-N 448.593 0.910 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837489787 VBSSDUWUFIFXCK-QHCPKHFHSA-N 434.533 0.568 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837530077 HYBZFUCNSPYBKV-YIPJSWNASA-N 448.476 0.386 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)c1ccccc1 1837617774 ZGVMVCKGEPJFAB-URXFXBBRSA-N 444.528 0.649 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838060858 BJADBHWQQPUOGG-NRFANRHFSA-N 425.445 0.300 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1838579448 LKQYIIQTTUGPBC-QRQCRPRQSA-N 444.488 0.148 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839225663 PUZNSBIHOJDTML-IERDGZPVSA-N 449.508 0.537 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419476 CTNYYFLSEZXLFN-UGKGYDQZSA-N 430.480 0.862 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1839453974 MDGSPSBTWLAAPN-NRFANRHFSA-N 449.529 0.371 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839859400 IELDZCJXRRZQDD-FQEVSTJZSA-N 434.880 0.418 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1)C(F)(F)F 1839892974 IENIXJRETDVROW-WMLDXEAASA-N 448.467 0.588 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840100949 OGUXMDUCBSACHO-MBSDFSHPSA-N 440.500 0.531 30 20 ICED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844267593 UKKIWBCHCRBZGU-UHFFFAOYSA-N 425.518 0.736 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1845132520 ZSSAVNWAZOXVFC-QGZVFWFLSA-N 437.537 0.896 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 430028453 SGKLENSCGBHVMO-UHFFFAOYSA-N 448.491 0.480 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)n1 441722747 CWKRPGGQQQVCDU-OALUTQOASA-N 440.479 1.316 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441957803 UUMTWDOBGAEBTA-AWEZNQCLSA-N 426.498 0.830 30 20 ICED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 442230766 ROIZTGJNNCCRGM-KRWDZBQOSA-N 426.477 0.764 30 20 ICED C=C[C@@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 460229970 IEOANHLMYTUJNW-HNNXBMFYSA-N 427.523 0.951 30 20 ICED N#Cc1cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 462854613 AITMUWHCUFDNBP-UHFFFAOYSA-N 446.489 1.468 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC[S@]1=O 469623393 XJALDBMEBNSZJL-PMERELPUSA-N 428.518 1.286 30 20 ICED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471040270 SMXZRVWHQSMALR-INIZCTEOSA-N 426.477 0.738 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)n3)c(=O)n2CC)CC1 479379999 NCZUWIOSTFLSIU-UHFFFAOYSA-N 427.530 0.000 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Br 498668800 SKLKGWVZLKSDDL-ZDUSSCGKSA-N 436.310 0.963 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCCC(=O)OC 501770561 CFMZPIWYZMJZNX-UHFFFAOYSA-N 441.509 0.677 30 20 ICED COCCO[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 507878193 GCGJGCJDHIEGFS-HNNXBMFYSA-N 434.522 0.922 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1 508613812 JOXAIAFUKQDLMI-OAHLLOKOSA-N 428.411 0.920 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 514059283 LZMUCFVVRUYRHG-ZDUSSCGKSA-N 428.536 0.013 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516358041 WEYVWAWOYXGUMA-ZBFHGGJFSA-N 428.536 0.061 30 20 ICED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 516474004 WNDLVOHGJDLXNZ-UHFFFAOYSA-N 425.420 0.925 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C1CCN(C)CC1 516828592 UHXNEQUXAQPYGU-UHFFFAOYSA-N 432.571 0.504 30 20 ICED CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(I)c(C)c(C#N)c2=O)C1 520896642 SNOFXXNWKUPKBC-GFCCVEGCSA-N 442.257 0.760 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 533579430 DYVRGFBZSMYVHB-UHFFFAOYSA-N 434.880 0.313 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 540380553 OPWBHSAEJLKKGR-GFCCVEGCSA-N 436.411 0.139 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)nn1 546564184 CFZFAZPTTKSVGS-MRXNPFEDSA-N 431.474 0.715 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 550482393 CWDQUZPZHSEPHT-OAQYLSRUSA-N 426.565 0.365 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1C#N 552518377 BBVDLOXDRXQSDY-IBGZPJMESA-N 449.515 0.166 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 555249464 NZSWWUPVBOXZIK-HZPDHXFCSA-N 441.602 0.501 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 556592639 LSBXZDKXVJFYTG-UHFFFAOYSA-N 428.489 0.682 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 558986621 NATBYZKSGRIIJK-UHFFFAOYSA-N 430.513 1.050 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 564507042 VQZPUZKPCOMMPK-CQSZACIVSA-N 425.474 0.236 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 567153397 YUEDWICPUKNTOP-OALUTQOASA-N 437.504 0.962 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 581391639 PCYVKGXLYLJGBM-BVZALQNUSA-N 440.500 0.966 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCC2 582327908 CQGZDKSYXLGATO-SFHVURJKSA-N 437.504 0.639 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CC1 588122836 GCOFNGPOVIUSCR-LJQANCHMSA-N 433.940 0.622 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(N)=O)c3)CC2)cc1 604022495 DMDPWUQBGBWMBW-UHFFFAOYSA-N 434.499 0.352 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(CC#N)CC2)c1 610112190 KMBJOTKEQFPTCM-UHFFFAOYSA-N 449.577 0.835 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 612222577 IYNGUDBWFPFKCR-SFHVURJKSA-N 429.521 0.760 30 20 ICED COCCn1ncc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc21 615049680 SMRMADAOQYLJFZ-UHFFFAOYSA-N 428.493 0.696 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1=O 685058028 TWDDWBQPDIZVIT-KRWDZBQOSA-N 434.518 0.088 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1=O 726043199 REKPKBWDCFAFJQ-HNNXBMFYSA-N 428.445 0.149 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O 726585727 LKQFGTABTWMCNO-UHFFFAOYSA-N 438.488 0.047 30 20 ICED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 731237583 LVTWQPZHVWRCDM-UHFFFAOYSA-N 444.853 0.832 30 20 ICED O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732415713 FDAVWBSCGQPVQZ-VXPUYCOJSA-N 442.476 0.605 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 749005348 PMTINVKNFNDGGZ-UHFFFAOYSA-N 439.471 0.106 30 20 ICED CSC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749753373 YDYIKOLHDOYPBX-FJGOLAJPSA-N 442.563 0.668 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)NCC#CCNC(=O)C#Cc1ccc2c(c1)OCO2 753664894 QNZANWJJJUWTQN-UHFFFAOYSA-N 428.400 0.783 30 20 ICED COc1cc(OC)cc(-n2nnnc2CN(C)c2cccc(S(N)(=O)=O)c2C#N)c1 755003580 UMZZUCGXGUDKNR-UHFFFAOYSA-N 429.462 0.835 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 758070295 SQGBNKBNZUYWJO-UHFFFAOYSA-N 426.523 0.239 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cncc(Cl)n2)CC1 758640296 KKTZHYSKFYRUNB-UHFFFAOYSA-N 449.876 0.692 30 20 ICED C[C@H](CC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 759465900 RGENNDZTXQWXIV-CYBMUJFWSA-N 442.563 0.386 30 20 ICED COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 762941321 JNFBZTPVNBHUMH-PXAZEXFGSA-N 445.453 0.781 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764935293 WGUOMJSUXDVLOL-UHFFFAOYSA-N 434.500 0.984 30 20 ICED N#Cc1cnn(CCOC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1N 771599757 PPRRRRDETICVCI-UHFFFAOYSA-N 435.462 0.410 30 20 ICED N#CCCCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 776118866 XRCJFYKBCKCFIE-CYBMUJFWSA-N 441.487 0.373 30 20 ICED C#CC[C@]1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 788300974 ZTOVOZUZXICKQR-FDDCHVKYSA-N 448.564 0.829 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)cc1 791010751 JTDJHFJGULNVFR-PGMHBOJBSA-N 433.490 0.229 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)c1 797387494 HIQLOEKKXVKSAU-QTCOBDOFSA-N 435.506 0.162 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800903877 LPLKIEDASNRGQH-LSDHHAIUSA-N 431.559 0.818 30 20 ICED O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780702 FBKNDEBITCZECL-MPOGACDISA-N 435.481 0.592 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808327611 CBBLVEAXXNSKLH-QGZVFWFLSA-N 445.586 0.720 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)n(C)c1=O 916919555 XYMMXMHMLWNVCN-OAHLLOKOSA-N 430.424 0.934 30 20 ICED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 918758518 ZHPUUDKGUPAIIK-UHFFFAOYSA-N 435.546 0.882 30 20 ICED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1141917892 IGRLUYLJDCRUSG-CRAIPNDOSA-N 439.559 0.398 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cn1C 1154062535 MYFJTTPWXVUZNM-UHFFFAOYSA-N 441.517 0.986 30 20 ICED Cc1nn(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c(=O)c(C#N)c1C 1251351661 OPBWDQJOSJMKDL-LZYBPNLTSA-N 438.469 0.980 30 20 ICED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1257419171 MSXZOCDKAVVWNT-UHFFFAOYSA-N 431.518 0.937 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1303405610 WVDQIIMFWLMCPA-GOEBONIOSA-N 435.554 0.028 30 20 ICED Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1304483999 YREWNCPCEPHXQC-RDJZCZTQSA-N 433.538 0.953 30 20 ICED CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1502235669 UQQREKDIXJUICA-HOTGVXAUSA-N 432.506 0.139 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1508423763 ODHIONVYJZNUCG-CQSZACIVSA-N 438.583 0.653 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1620346887 JNSUXBYQPGVAQK-RHSMWYFYSA-N 427.502 0.901 30 20 ICED N#Cc1cn(CCNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)c(=O)nc1O 1630030866 ZEUYDEIXRQASJF-UHFFFAOYSA-N 425.445 0.254 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1692664486 ODGSPCNSIPXTDC-CVEARBPZSA-N 439.586 0.834 30 20 ICED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1748415846 CMDDMGHGCQCSAO-XOKHGSTOSA-N 437.570 0.490 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1760695743 MXORVWILRWWGSI-AVNFZHSVSA-N 444.583 0.118 30 20 ICED CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1766074568 OJVJCOWVKSAZEK-JYJNAYRXSA-N 425.559 0.349 30 20 ICED CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1766451263 NINXGEHFCPKROG-FXAWDEMLSA-N 431.518 0.982 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1769488843 LKLJKVDWGFMTGO-QGZVFWFLSA-N 434.522 0.560 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c2c1CCC2 1779019695 SPINOHVBLHQURO-DHNIJCFSSA-N 428.537 0.824 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1781395446 QVBUTMHTKUOCFU-BTYIYWSLSA-N 446.508 0.261 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786669 DLSNFLYCVYMPAW-FOIQADDNSA-N 449.464 0.387 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C(=O)OCC)C[C@@H]21 1783536023 YKMYWWLMAOVMEA-FUYDUDRRSA-N 435.521 0.414 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783924960 YBBBCRMPKILWMQ-DHIUTWEWSA-N 443.500 0.937 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1785574401 IVYTZEOGRZBZLQ-IIBYNOLFSA-N 446.508 0.025 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1786648589 LEPZLMXFZYJLSP-BPUTZDHNSA-N 439.921 0.850 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384807 FYDCAPITQJLUEO-OHFALNGGSA-N 429.477 0.619 30 20 ICED O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)NC1CC1 1788658678 MAUVGIGNKFKUKJ-RTCOPYRCSA-N 448.520 0.330 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21)c1ccc(O)cc1 1791332890 BBSHTMDYHHAKGB-XYYCENQHSA-N 428.533 0.155 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1)C(F)(F)F 1794035966 ILGMIFBFKBUVMT-YWVIFJGQSA-N 428.411 0.843 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794505494 YJVKPYQHUJOBRE-FZKCQIBNSA-N 431.493 0.530 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C 1796449246 CKBIMRNOEPHKRO-LVEJAMMSSA-N 435.521 0.529 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Oc1ccccn1)C2 1799305576 STXKNZSPGJRBRL-PDOICOKGSA-N 431.489 0.948 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)c3ccco3)C4)c2c1 1799882921 VLGHIOAHLPPVNC-ZZXMYQEDSA-N 435.440 0.964 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)c(C#N)c1 1800031873 QEQRILKKIBNCAL-KYHPRHEASA-N 439.472 0.346 30 20 ICED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C3)CCC2 1800048043 UFGYSVDAQSDLAC-UPHUGPLXSA-N 440.544 0.811 30 20 ICED 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)O 1800751257 LKAZONUMGXJUQK-UHDSXZAQSA-N 425.526 0.816 30 20 ICED CC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CN(C(=O)OC(C)(C)C)C1 1800778630 KIOFPFBNGRNYBX-CCWDJLKJSA-N 449.504 0.311 30 20 ICED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801029848 CSEIBANMWZKUBM-DACLVMHWSA-N 443.529 0.752 30 20 ICED C#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]1CCCOC1)C2 1802127869 ZGCHFLNWAUZRKI-QTMHVTGLSA-N 449.548 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2nc(C)no2)[C@H]1c1cccnc1 1802483937 XFZNTTQTPBLYOW-WJBDPIGGSA-N 438.488 0.880 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803605595 ZBNNSQPKVYGTQF-OLMNPRSZSA-N 433.534 0.594 30 20 ICED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)C[C@H]4NC(=O)NC4=O)C3)CC2)cc1 1806842219 NMSGVSWBFSQONE-GOSISDBHSA-N 437.500 0.930 30 20 ICED O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807600921 SPADTWKDYNGMES-VKOSXEPSSA-N 441.492 0.908 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808410192 BTNFSDFMGAQRMB-LESCRADOSA-N 440.591 0.831 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1808658996 FNVFLIVBSOMOGG-JXFKEZNVSA-N 425.445 0.332 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808835913 CEDJOPORAKVBJR-OGWOLHLISA-N 444.492 0.440 30 20 ICED CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1811536055 BCLVYBAUSOUTDL-KNQAVFIVSA-N 435.532 0.848 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1814012783 UTKKSJHHHWEEOX-ZFWWWQNUSA-N 437.481 0.705 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815768508 UYQHIHGNOXYICE-KBPBESRZSA-N 444.496 0.282 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821712680 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C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831608856 JJGBHFQACZDIIG-SZNDQCEHSA-N 432.452 0.279 30 20 ICED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831836298 HSFVVNHMXPLVGO-WBVHZDCISA-N 431.624 0.655 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1=O 1831884085 OSGMIBYAINGGHE-XMMPIXPASA-N 435.480 0.507 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832692572 XLJIUSZCHMRNIN-YCRPNKLZSA-N 436.509 0.033 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833184890 KBGXIKMSVPHZHE-QHCPKHFHSA-N 443.548 0.752 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833387686 AXWNDIIFLQFNNV-ZHRRBRCNSA-N 448.520 0.030 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)c1F 1833702509 ADAMFQWLFWIIBH-VQIMIIECSA-N 428.530 0.892 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756170 SUVADHPLMXBIKI-IIBYNOLFSA-N 436.509 0.826 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339846 VHXMMLFHIYRTDC-HTAPYJJXSA-N 427.505 0.752 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4OCCO5)C3)C2)CC1 1835342136 RJFCSNYLMQJLOD-JOCHJYFZSA-N 427.457 0.832 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349672 PXMGASAZHGQKLQ-UZUQRXQVSA-N 440.500 0.565 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1835674300 ILJMCVYJIPTYFN-JOCHJYFZSA-N 431.537 0.686 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1835716888 ASQIEUWFKWAHOL-RBUKOAKNSA-N 434.581 0.752 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835732106 BSTBXXGEZZEOIS-OEAKJJBVSA-N 430.557 0.321 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837304809 KTOFCRGBCUHHHP-VFNWGFHPSA-N 432.477 0.726 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837311433 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C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756132 VNSLKLXTESJTNX-IIBYNOLFSA-N 435.525 0.694 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839175757 COQVAHXYULRNQR-QFIPXVFZSA-N 447.488 0.296 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419927 CMQDJNKEERWNLA-NRFANRHFSA-N 433.436 0.721 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1839421412 NZTCYWPIQJVJNZ-HXUWFJFHSA-N 430.392 0.775 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839481861 CBOMPCVUKPTDNB-IBGZPJMESA-N 428.405 0.455 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C2)C1 1839811035 CIINTMHYACOXSC-NRFANRHFSA-N 433.461 0.328 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1)C(F)(F)F 1839891235 RSQBRKJDFURTOJ-QGZVFWFLSA-N 437.484 0.610 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1840162346 USUXZVJZZOZREB-QRWLVFNGSA-N 431.518 0.656 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840164008 WDMLJIULUJXTFJ-CKMMYEAESA-N 437.518 0.531 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840318858 FDWCWMCLQQRDNW-JOCHJYFZSA-N 444.488 0.303 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361263 USZDXWIYGAFNBS-IERDGZPVSA-N 434.562 0.890 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840825957 XKMITFBDEJSNSG-RTBURBONSA-N 428.480 0.770 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840840359 OCQZLGNJKYJZOL-FQEVSTJZSA-N 431.518 0.512 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673705 UGJDCWCVZACIBF-AOOMUMSASA-N 440.460 0.436 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824656 POXGTFVRHUPQMP-CIAFOILYSA-N 430.465 0.432 30 20 ICED C[C@@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)[C@@H]1SC(=N)NC1=O 1846980119 WLQWYCIIOCNSHE-DYVFJYSZSA-N 441.513 0.943 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1847070547 ZPVBIOSDULNXCH-ZDUSSCGKSA-N 445.476 0.621 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCN2C1=O 427393302 YHLZPVRJDLKSOX-QGZVFWFLSA-N 436.476 0.682 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(CO)C[C@H]3c3ccc(F)cc3)n2)cc1 429948043 VOTAAEDOSDPQOT-CVDCTZTESA-N 448.458 1.558 30 20 ICED COC(=O)COc1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cc1 438243720 APTXIYDFJXSDOW-UHFFFAOYSA-N 449.489 0.713 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@@H](C)O)[C@H](C)CO)nnc12 443804935 VSTVVDGFEBUYSL-ZIAGYGMSSA-N 431.518 0.913 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2n(C)c1=O 465172694 UEDREWSLNGQIRA-UHFFFAOYSA-N 448.483 0.788 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 473559122 CXCBAYOKRQMFCN-GOSISDBHSA-N 439.969 0.626 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CCc2ccccn2)c1=O 478851231 USTRKICEXJDHHN-INIZCTEOSA-N 449.536 0.780 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCOC3)c2=O)n1 479362367 RGNYOJDYIRZKDK-CABCVRRESA-N 441.509 0.459 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cccc(S(N)(=O)=O)c3)C2=O)cc1 487160587 PCEQQQTWUSAMTA-SFHVURJKSA-N 427.486 0.806 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487499969 HUNAYRQWBJXQMW-ZWKOTPCHSA-N 433.534 0.630 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 489018720 GZFUQUUDHHCPIK-GOEBONIOSA-N 428.514 0.321 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C#N 490149285 IIFIADZUOHFVMX-UHFFFAOYSA-N 433.881 0.395 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cscn2)c1=O 497576535 LFAJBDYOFXCPBB-OAHLLOKOSA-N 448.570 0.591 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1S(C)(=O)=O 498460235 HVSMERHIYMFIFL-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(=O)(=O)c1cccnc1 505631717 IDLOXTPSBSTKGM-GOSISDBHSA-N 427.486 0.886 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 507797619 PGDQGVXCIKRNQG-UHFFFAOYSA-N 441.444 0.261 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 513977911 BGFKIVPKIFBBLF-YZZKKUAISA-N 425.533 0.805 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 521103028 SWLOFRQRZYCQMK-LEWJYISDSA-N 446.511 0.930 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n(CCC#N)n1 526646725 BKHAZIOGKRFGCU-SFHVURJKSA-N 438.488 0.630 30 20 ICED COC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 536073745 ZOEHZPWCYLNSBE-SFHVURJKSA-N 427.479 0.383 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 545313634 RDJYQHFMMXUKSN-UHFFFAOYSA-N 430.555 0.535 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)c(F)c1 552777097 RUYLSGWAENOFET-KRWDZBQOSA-N 443.479 0.053 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 558502586 WOAWXMCGSOEQGU-UHFFFAOYSA-N 448.526 0.710 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCN1CCCCCC1 561354117 LDVQTNXUUMKUOY-MRXNPFEDSA-N 435.550 0.333 30 20 ICED CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCSC1 567067132 QKUCTELFICWYEZ-UWJYYQICSA-N 429.546 0.329 30 20 ICED COc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(OC)c1OC 576126567 TUZXZZLQEJNNMR-UHFFFAOYSA-N 430.465 0.597 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 584366820 OEHDDADTLFWKRP-UHFFFAOYSA-N 449.577 0.941 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)CS(C)(=O)=O 588869892 VFJTWAATVHERSL-PBHICJAKSA-N 434.518 0.057 30 20 ICED COCCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610401829 BVGXPICIUXSLDT-UHFFFAOYSA-N 429.525 0.012 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 675139159 UAGXNUSWSOQISQ-INIZCTEOSA-N 435.506 0.993 30 20 ICED C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 728891472 UBJYZXQRESTIQS-CYBMUJFWSA-N 427.454 0.764 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 729257852 TZAZSVMDTLWMCY-UHFFFAOYSA-N 443.592 0.928 30 20 ICED CC(C)C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 731863446 WMGKQVOQAQCCGI-VAKVLEPSSA-N 428.489 0.995 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc([N+](=O)[O-])c1 732908016 GZDALDZQSMGFPR-CQSZACIVSA-N 432.418 0.063 30 20 ICED CS(=O)(=O)Cc1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1 741825276 JRCIAGCOCRQJKT-UHFFFAOYSA-N 443.528 0.860 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)n(C)c1=O 744602813 XOCFCAUITOABHV-UHFFFAOYSA-N 435.400 0.489 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)c2cccc(C#N)c2)c1 748236454 PHCBSXBNIXDFGB-UHFFFAOYSA-N 429.454 0.964 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 748334083 XUFNQCQOQAMKOM-QMMMGPOBSA-N 434.268 0.654 30 20 ICED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cn(CCCCCC)c(=O)nc2O)CC1 769626118 CNXXKGZPNZXUBA-UHFFFAOYSA-N 441.554 0.138 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 783347560 PQVSOYFJVRIMAN-UHFFFAOYSA-N 437.927 0.246 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[C@H]1CCS(=O)(=O)C1 783481975 SIBAVWZCEARSFW-SFHVURJKSA-N 440.481 0.921 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 787314881 RZDARUCDEDCSIB-XDQVBPFNSA-N 425.486 0.501 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)ccc1F 799003418 PEGACHBYXDOXLI-OLRZCDJHSA-N 440.522 0.969 30 20 ICED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 816670098 LTEABMSVBTWJEC-SNVBAGLBSA-N 436.271 0.656 30 20 ICED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)N(CCC#N)c1ccc(F)cc1 923867844 FULZZHNXKGVBRB-ZDUSSCGKSA-N 447.448 0.974 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1286876766 MYACQCGZESGJGQ-UHFFFAOYSA-N 437.504 0.734 30 20 ICED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297791846 XAMLQGDVXAATEJ-WJOKGBTCSA-N 444.565 0.778 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1301809801 QLQZWNWJPVRUIF-OHZJNBGDSA-N 443.595 0.848 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1315745326 XLXYBBCFKGCXEN-GOSISDBHSA-N 428.493 0.773 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1318007784 MUZAYWMWOSRKIO-UHFFFAOYSA-N 443.485 0.978 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1502344215 ZJSDAENLDSDHAA-KSZLIROESA-N 430.557 0.232 30 20 ICED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1521083041 QZODHLPMBJWLAV-INIZCTEOSA-N 428.518 0.968 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCSC1 1541922426 ITIXXBAXNDZQQF-SUMWQHHRSA-N 428.584 0.886 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1561486980 LZDVMUCXELOXOT-UHFFFAOYSA-N 444.432 0.837 30 20 ICED C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1620180872 ZYXAPCBEUPHYRK-SSEXGKCCSA-N 428.518 0.966 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1691003692 KMWYKFDWOODERJ-SJORKVTESA-N 439.586 0.693 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723110390 ZTVSHQHTFXRFKO-WRWLIDTKSA-N 436.582 0.764 30 20 ICED CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1741482010 NQYWXBJPWUXITP-HNNXBMFYSA-N 428.584 0.584 30 20 ICED CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1746311178 UQNBCTCOWJGDGI-HZPDHXFCSA-N 426.543 0.920 30 20 ICED CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771356738 ULDOWPMWHQGXQW-SJORKVTESA-N 444.517 0.723 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115217 QFNZSWGEABUBMK-VQIMIIECSA-N 447.623 0.442 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779444520 JPXINBNMAZNZNC-CQCNCCIPSA-N 443.460 0.727 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(C#N)c1 1781173580 GOYGYNXIPQMCHO-JOCHJYFZSA-N 439.472 0.873 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781175446 KYRLWTLKJVJZBF-OAQYLSRUSA-N 430.461 0.295 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1784010974 JYLFVYIVRPRXIO-NHCUHLMSSA-N 436.509 0.492 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1785575188 ZQXOGSUZYZEYET-VGOFRKELSA-N 445.520 0.630 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787492490 FXAYKMNWZNLBMR-XZBVAUNFSA-N 442.607 0.723 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788574979 QKSXHLZAHOCWHP-XLAORIBOSA-N 427.505 0.896 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1789957421 SCXRJOWQCXWJAE-XAJHFOFHSA-N 429.539 0.344 30 20 ICED 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(Cl)c1 1790232297 QLNLGRNIJRVXOP-NCTLDZBQSA-N 432.908 0.528 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1790876585 GGLMOIWWMAMQLV-XEZPLFJOSA-N 437.447 0.431 30 20 ICED CC[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 1792128393 IUCHIACSEORLFJ-VGWMRTNUSA-N 437.493 0.357 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793774439 IRMDPRGKEDYFPA-NXCRSVRDSA-N 432.864 0.569 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c1 1794086554 DECCNXBSVQPOJY-MUJYYYPQSA-N 425.445 0.370 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796307955 LPQCPSJXUFTLHY-WQDJSCAQSA-N 446.573 0.301 30 20 ICED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n(C)n1 1797784166 MWUXPSNMHIFXPH-UPHUGPLXSA-N 428.533 0.884 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808994 WJHXIEQMGDTDOQ-MLHAMCPSSA-N 433.509 0.638 30 20 ICED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324713 RVUVFHRGXLCAOS-HGKCTWBKSA-N 439.447 0.942 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)cccc1=O 1799324781 YXBZKXOBKVKHDA-FAQVEIGNSA-N 438.459 0.842 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1800109894 UZZVVBHFOWLEAO-SSZWKKLZSA-N 436.534 0.936 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801284035 OOOKFDLKVAMLSM-SHJAMOMRSA-N 447.536 0.029 30 20 ICED COC(=O)N(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)Cc1ccccc1 1802108616 WGYFJHJFHNRUOM-BCDXTJNWSA-N 427.457 0.981 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804341984 NOTTZNADTVLYBA-NYCLONFESA-N 429.477 0.277 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2CCN(C)CC2)[C@H]1c1cccnc1 1806911283 LWPJMQWKHLVAQM-UNWVZKJWSA-N 441.576 0.763 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1807189259 FCPUHNMLVWGWSC-ZRCGQRJVSA-N 448.527 0.795 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1813037315 VTIQYINUPWIBGY-PPHDSNJXSA-N 449.558 0.871 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1814986165 XKEVVTXPYVAVTA-STQMWFEESA-N 432.550 0.863 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(N)=O)CC3)c1 1821392163 MPDVFERKBITYON-LBPRGKRZSA-N 428.474 0.917 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828966457 HWFUHULBQUOWRB-WOJBJXKFSA-N 449.596 0.539 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1829762268 BYPJPWDKIGKZOX-QEVIJRNUSA-N 432.477 0.220 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1829764841 XUTHBEQNMOVFQQ-QGHLFXPHSA-N 431.489 0.527 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1830464498 HOIZPLWUQYSORZ-NFBKMPQASA-N 427.501 0.984 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830468743 VYQXJCJRBUWTKN-OAQYLSRUSA-N 444.875 0.890 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831424926 ODSBHLQUGXHWNU-AOMKIAJQSA-N 447.488 0.514 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246751 MUZIDAJBWHUXLV-MRXNPFEDSA-N 436.358 0.211 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1833107605 VCIGPDFUJVCKFU-VXKWHMMOSA-N 439.560 0.395 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833520633 CGOLMWHAWGOYSC-GCMSVZMUSA-N 431.537 0.782 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834323748 JQLMIDITQDHTNY-FNEOHHHZSA-N 444.513 0.991 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2C[C@H]21 1834755714 JSNGIFBJTOOZMX-WBYLCXCBSA-N 448.520 0.754 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccccc1 1835351973 HKMKVDARTACRFI-KNQAVFIVSA-N 444.488 0.844 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)ccc1[N+](=O)[O-] 1835365004 MHMIXODLBDELNK-FQEVSTJZSA-N 432.433 0.977 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428490 MDPYHDKVNQZACR-NRFANRHFSA-N 447.612 0.936 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489029 XMVPOUQPMVZSHE-JOCHJYFZSA-N 430.505 0.189 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837770401 IIBGTNZDSKBMSH-UHFFFAOYSA-N 444.550 0.539 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)CCO2 1838481547 OIAUPFANUQLZPM-JOCHJYFZSA-N 436.472 0.554 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3NC(=O)C4)CC2)CC1 1838709028 MGMXVALCYMGATK-UHFFFAOYSA-N 439.468 0.881 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795826 QQBABFKJNLJMMP-FOIQADDNSA-N 431.518 0.656 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839225779 UBHUGHDGQOUDMO-IERDGZPVSA-N 444.492 0.600 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839276568 OIVHWNKFQZIZAL-YCRPNKLZSA-N 449.435 0.842 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421201 BEQGXGCGUXCHMC-OYHNWAKOSA-N 444.463 0.458 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1839450951 QGUJORKJIVMXKF-JOCHJYFZSA-N 442.472 0.389 30 20 ICED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1840347252 RKSSEEUYKYPQNN-JOCHJYFZSA-N 440.504 0.860 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840571501 XGZBOUJVZACOPH-QFIPXVFZSA-N 428.489 0.198 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1840712514 LXHOSBRUGHBZKU-FXCLAUTBSA-N 442.472 0.492 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1840845309 SUJYPVHIZPDRGT-MBSDFSHPSA-N 427.501 0.675 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 18038990 BDTMHVOSPIMGML-UHFFFAOYSA-N 443.510 0.863 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 61929673 SQHHWAIVCYRSLN-UHFFFAOYSA-N 428.470 0.834 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 410163771 ZYSUWLOZKPCKSI-ZWKOTPCHSA-N 429.587 0.406 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179196 QTDWJXYFOBXKSY-DLBZAZTESA-N 436.490 0.993 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 447447360 CPWGYPWEEIFRCK-UONOGXRCSA-N 427.404 0.971 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 465058688 HVPUOMAXJVKMMF-CABCVRRESA-N 428.536 0.245 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ncn(C4CCCCC4)n3)CC2)c1C#N 472862173 YCYHEQJBWPZOIE-UHFFFAOYSA-N 425.497 0.984 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CCCN(CC#N)C1 478303116 BCDIGZMEVWSRPC-INIZCTEOSA-N 436.534 0.681 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 480142342 MPRRMLCGVPDLPK-CVEARBPZSA-N 437.508 0.980 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480958247 PPCIWXPDIAJTHU-AWEZNQCLSA-N 442.522 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)CC1 483768054 FPWNIANONKPAJI-UHFFFAOYSA-N 434.541 0.261 30 20 ICED CCNC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 484263807 WBCJOMGWKPBCSE-UHFFFAOYSA-N 430.509 0.865 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 491086979 VFDOOEMPORGJIU-UHFFFAOYSA-N 439.419 0.005 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(CC)S(=O)(=O)N(CC)C[C@H](C)C#N 499495130 WYBPKDAZVPRRGD-HZPDHXFCSA-N 436.604 0.351 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3nc(O)nc(O)c3c2)CC1 511769230 MYLAHGQBPFOHLG-UHFFFAOYSA-N 440.441 0.454 30 20 ICED Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512399368 JPQZHPSZCMQMLF-UHFFFAOYSA-N 441.469 0.853 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)cc1 516355367 VCIOZYISJCXDCG-UHFFFAOYSA-N 432.433 0.834 30 20 ICED C=CCN(C(=O)CCCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 520643169 XTIRHZCIXHZHPK-IAGOWNOFSA-N 446.591 0.560 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1C 521287809 BSCCHBKBNWVTSN-UHFFFAOYSA-N 426.542 0.015 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)n(C)n1 521946030 SUGHPVXREMOJQT-HNNXBMFYSA-N 433.476 0.905 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 524204573 GUNRDPNWHWUBMW-UHFFFAOYSA-N 441.513 0.749 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 561121290 MFPYSFFBLIIWAJ-OALUTQOASA-N 427.505 0.397 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)CC1 567078654 JBAJFXDYIJNEMW-MRXNPFEDSA-N 440.504 0.284 30 20 ICED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c2ccccc21 574315149 JEOXNZSPWMSORI-LJQANCHMSA-N 449.515 0.863 30 20 ICED Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 574718701 QUPJKNJBLOBEOU-XLIONFOSSA-N 434.500 0.995 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 576673327 AFVCWMSUOJDNOV-QGZVFWFLSA-N 429.458 0.834 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 582024605 GCQOLVIWIVEEOJ-QXATTWAWSA-N 426.473 0.576 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 586838555 IYDVFSCZJLBMFT-IBGZPJMESA-N 433.940 0.934 30 20 ICED CCOC(=O)c1sc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1C 588999491 SVKCHWMTIRHHCH-UHFFFAOYSA-N 442.501 0.860 30 20 ICED CO[C@H](C)c1nc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 589098359 BYDMGQWHBVDVMG-CYBMUJFWSA-N 431.522 0.729 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc2)CC1 590303497 CYGGZRXUHPMPFK-UHFFFAOYSA-N 428.537 0.843 30 20 ICED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 590684734 LONNVMANTHOYPK-UHFFFAOYSA-N 436.515 0.403 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 606072937 SARNQULBWPNBKW-UHFFFAOYSA-N 444.536 0.945 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 615338971 WPYCSBXSAPTAHA-GOSISDBHSA-N 439.472 0.836 30 20 ICED N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 728515417 BXZYFKVTNJVMOT-INIZCTEOSA-N 443.572 0.311 30 20 ICED CS(=O)(=O)c1ccc(OCCCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910448 PWRYUOVNVMRPBZ-INIZCTEOSA-N 442.515 0.215 30 20 ICED COc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910893 WDTLUOSSQFVVKA-DOTOQJQBSA-N 433.486 0.010 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(S(C)(=O)=O)n[nH]1 733360584 MLECVAVJZONUGN-LLVKDONJSA-N 440.507 0.444 30 20 ICED COc1cc(OC)cc([C@@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 735691064 REWSLSNBFQVCSW-KRWDZBQOSA-N 433.486 0.982 30 20 ICED CN(CCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1=NS(=O)(=O)c2ccccc21 742073071 ZLXMAVQYUOXALV-CZIZESTLSA-N 445.501 0.490 30 20 ICED CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)C(N)=O 746139763 CGXWCROHRRRNEV-ZOAKPAGHSA-N 437.522 0.598 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)CC1 747820463 XSJGJUJVKQTAKI-UHFFFAOYSA-N 432.525 0.146 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 747977152 LXXAEJUUXRTFHP-VBUUPXLYSA-N 437.522 0.998 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CC1 761024797 PNVLMMSCNFXLEE-INIZCTEOSA-N 438.550 0.356 30 20 ICED CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 761068867 BTKORBIJRLFRGW-ACIHENLCSA-N 438.506 0.896 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 766014635 BEHJZIWFGXEGHB-ZBFHGGJFSA-N 436.534 0.191 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)c1cc[nH]n1 772150494 CIDJIWDADVZUMO-UHFFFAOYSA-N 449.489 0.650 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@@H]1CCCO1 773796145 KNCZDLGIGSKRAM-ZFWWWQNUSA-N 428.894 0.999 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2=O)cc1 780279816 AHAOQHFWUKJANT-KRWDZBQOSA-N 430.428 0.784 30 20 ICED CN1CCN(CC2(C)CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 787787079 GWOPQUMZCSDGLO-UHFFFAOYSA-N 427.553 0.357 30 20 ICED C[C@@H](CC(=O)NCc1ccccc1S(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 805311336 ZVQSWSUBWSEKPF-LBPRGKRZSA-N 436.515 0.468 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 812566409 BULLUQXWCPHTLT-UHFFFAOYSA-N 426.498 0.782 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCSC 814250698 WPLUJFGYNVWIHE-UHFFFAOYSA-N 441.529 0.764 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 815861306 BCQJOWYGFXTMKB-FQEVSTJZSA-N 426.517 0.864 30 20 ICED Cn1cnnc1COCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 816087945 SAFQOLNDUZMQIT-UHFFFAOYSA-N 432.231 0.610 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 838243323 QYQLLZKAFOREAM-PBHICJAKSA-N 429.546 0.488 30 20 ICED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 914684370 PGQSRHBRHCIDGJ-UHFFFAOYSA-N 431.923 0.973 30 20 ICED CNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 917002341 LSKZMSVJCMGQGU-OAHLLOKOSA-N 440.909 0.408 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 919130719 RSZADPXXFHQKRT-UHFFFAOYSA-N 433.490 0.805 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCOCC2)C1 1302478569 JTZOEVKJJXUCKM-QAPCUYQASA-N 442.517 0.480 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1314996533 VWZHOLPDFHBIOA-MRXNPFEDSA-N 435.492 0.868 30 20 ICED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)cc2)cn1 1321100562 YOWMYAFMRXAHST-UHFFFAOYSA-N 439.522 0.382 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1513979359 KXRNUXKWVCJJLF-KRWDZBQOSA-N 446.533 0.878 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1541112550 ILEUTBHHYFBYAU-ZDUSSCGKSA-N 429.506 0.832 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1740739432 SQSKRXQDNWBRNQ-NEPJUHHUSA-N 449.375 0.889 30 20 ICED Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1767492414 PKTUGVARSZZPQT-SFHVURJKSA-N 448.484 0.833 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1778790865 ZIHSQTVACSGTCT-REDKUUPNSA-N 444.488 0.822 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779196711 SPVWCYMUQSNOIP-PGSNGQOISA-N 431.555 0.519 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781173194 AIEXINMAYCJTFH-JOCHJYFZSA-N 431.489 0.602 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1781396939 SDVIGKFXBGKVOE-CKJXQJPGSA-N 446.508 0.226 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1781736517 IEUFYGFNAHLMQT-QXATTWAWSA-N 429.521 0.966 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1781736775 MSBVLGOVHVRHTH-CMPZQBNXSA-N 428.493 0.757 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195768 IPCWOLQLVAUXBU-JOCHJYFZSA-N 438.488 0.650 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCN(C(=O)OC(C)(C)C)C3)CCO2 1783051611 FVIHIUNELNGWSK-QFIPXVFZSA-N 443.504 0.711 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1784449285 UIABRACIIWJVLG-SNRMKQJTSA-N 449.529 0.595 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)n1 1786695877 GKOOAOPALDEQNA-ULQDDVLXSA-N 427.505 0.570 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788572796 NLNWGNQUNOBHHW-QSPRXWTASA-N 443.504 0.601 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1CSCSC1 1788683839 IXFVPVJHEMCJGC-AJNGGQMLSA-N 427.548 0.097 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)ccc1F 1789907206 NYERJMQYRNOYAE-WQCNXYOZSA-N 428.464 0.498 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)n1cnnn1 1791684851 ABLIZSDZYHBMCY-LDFDMIBHSA-N 444.517 0.714 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1792138465 QGSJFZDIUDSRTA-QTVXIADOSA-N 433.534 0.462 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1792257188 AZCZDBWVLPEFML-FPSMNIFISA-N 436.553 0.478 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cccnc1)C2 1792485963 ZEOWVFAMMYBDML-GMYCFHGXSA-N 427.505 0.330 30 20 ICED CCC(=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 1793246307 ZCXIUGHRDBHJPG-WCWWHDIWSA-N 433.530 0.991 30 20 ICED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1795358956 YVZXADHARNMQAG-ANLXAXJUSA-N 426.516 0.121 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)cc1 1795438122 XEADGBHAIOKEJJ-JHDGKUDLSA-N 426.517 0.413 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796961571 OMDKNYGFSBKLRP-HGKCTWBKSA-N 447.455 0.278 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798113968 BDOZYKPTQPHBFY-DDFAGTSDSA-N 430.246 0.794 30 20 ICED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)N1CCN(C)CC1 1798497199 SORGQTRKQQQVII-ZPNJQJDCSA-N 435.569 0.790 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1)c1ccccc1 1799140745 YVDJGIOECKNDDJ-WVYKEMLSSA-N 425.529 0.496 30 20 ICED O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1800197329 WFFMXBAFPULZEW-FPLQNCHWSA-N 442.497 0.334 30 20 ICED COc1ccc2[nH]cc(/C=C/C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c2c1 1800778482 CVCKNQHLFHVHON-DGIONUILSA-N 437.452 0.867 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801765904 VHIPQBQVGBRXEN-MBOWVQHQSA-N 442.516 0.668 30 20 ICED 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(C)=O)C2 1802124673 DVHJRHOWNYGXAA-ZMMAXQRCSA-N 435.521 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1802475922 CJDXMUZLNSUKCB-OCOIBCLLSA-N 434.500 0.979 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1803446562 PESQORCMKOZSGS-UGKGYDQZSA-N 444.557 0.231 30 20 ICED O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804092984 XWFBSXJGIGNTAD-XXBNENTESA-N 445.479 0.691 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1804127944 MAGMXTWDMQEHRJ-BJWYYQGGSA-N 448.483 0.829 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1806621894 ZMZJLPQLSWHICV-DENIHFKCSA-N 448.479 0.682 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1807641806 AJQAHFFNZSJFJR-UHFFFAOYSA-N 447.513 0.559 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810278753 LAHZALZKQBQGPO-KARRLCMESA-N 428.493 0.668 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810356273 ISRIUYDWOVPMLZ-JSYGRKLZSA-N 431.493 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1814439551 PAYJMQRVWOUFJK-MWWKQMNYSA-N 439.476 0.517 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817195455 PVMPNBARAKTRHF-WWQCOOJYSA-N 445.461 0.859 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817358248 NRQFVUBREPTYNY-HUVBRDCKSA-N 449.512 0.524 30 20 ICED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819877081 ONKVPBOKIQIORB-KUHUBIRLSA-N 438.550 0.689 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)sc2C1 1822630439 OBLQAZOLMBPYIT-XQQFMLRXSA-N 430.486 0.544 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2)n1cnnn1 1826977958 IJNXKOZHFHXOBG-NNUZQQSMSA-N 448.509 0.832 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829484281 HBPBSCKGRDFYJR-HXUWFJFHSA-N 449.464 0.540 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)n4nc(C)ccc4=O)C3)C2)C1 1829669191 QTIRBHIBVBMESM-HSZRJFAPSA-N 444.532 0.709 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1829769472 UTJGEIJJXOPWID-HZQHCPKGSA-N 449.895 0.058 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1829782460 VPSNMFVTEHFTHL-IIBYNOLFSA-N 425.526 0.498 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1831387433 PJXLZDSTUKDUAL-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3SC)C2)C1 1831396542 NWECYHYLLBDPOO-IIBYNOLFSA-N 433.530 0.912 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831630556 SYILXEFEBSJBJN-ZHRRBRCNSA-N 433.480 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1C)CCO2 1831820785 GIYGHHRVKWYDSN-ICTHTSFCSA-N 428.489 0.318 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831872464 KEIYQGFDSXMFMK-RJGDLVSHSA-N 449.508 0.328 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832940642 IQYGZIKBYPYKLZ-VIZCCBKPSA-N 449.508 0.328 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833767147 UJFIGQWAVAKCFB-VGOFRKELSA-N 433.505 0.733 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833767417 YUVWULZOEQDOPR-YVABFXQFSA-N 442.472 0.872 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1833860431 LQQKAQFJTCCNPR-HNAYVOBHSA-N 426.539 0.453 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834234287 ZIRWVBCLMXJLNX-FNEOHHHZSA-N 444.513 0.991 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295072 BBXLQKSWKIRSIT-WNKTYHFFSA-N 433.465 0.076 30 20 ICED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1834405771 QOMHUBXZGMSPNK-OAQYLSRUSA-N 432.525 0.255 30 20 ICED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715229 JRDQYCUKIGUWAT-UHFFFAOYSA-N 448.612 0.612 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)C(=O)O 1834737929 JOOFMIAITOHSPS-OAQYLSRUSA-N 440.544 0.672 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095789 DWMBKUXXNRGDAM-DEOSSOPVSA-N 441.528 0.657 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102514 UWABJFUFGJMYEN-KNQAVFIVSA-N 432.542 0.609 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835310256 WMILABAIXMAITG-UTKZUKDTSA-N 430.436 0.046 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835410680 NAUSRYCGHDZTNX-QFIPXVFZSA-N 426.473 0.251 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835739846 ISWQNLGJOYRCGM-UHFFFAOYSA-N 441.667 0.961 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836967453 VZCIDMSDSOBABH-HRAATJIYSA-N 434.493 0.327 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447448 OTWZBUXMOOHHDH-GBFVYLLASA-N 446.552 0.681 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486758 NUPIUYPVGGRMML-QHCPKHFHSA-N 449.548 0.056 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837493732 UYTYCLSQYBDRBG-YKSBVNFPSA-N 448.560 0.958 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838384906 NCGQSGAALFAEPG-GOSISDBHSA-N 432.521 0.955 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)c2n1 1838486530 LODANVZYHXGQOZ-NRFANRHFSA-N 427.461 0.945 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1838514636 JBVGLVSRMROBBB-JBMWNJKUSA-N 444.488 0.943 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037821 ZCMNGPOEYCDLSS-ZHRRBRCNSA-N 433.480 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839228618 JZCXGVLHDYSWTC-HRAATJIYSA-N 434.493 0.465 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CCCN1 1839421923 SRNLHDCBUREQMB-FGZHOGPDSA-N 430.480 0.909 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(-c4ccccc4F)n3)C2)C1 1839807488 CUIFYFTVAZRMHN-JOCHJYFZSA-N 442.447 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(Cl)cccc4n3)C2)C1 1840042772 OBXPRSDUCCKSBQ-HXUWFJFHSA-N 446.847 0.146 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840144779 LHQUSIZXKAJSKP-PWHSHALESA-N 432.517 0.836 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1840162472 YHDSAHYRUPHLJO-XCLFUZPHSA-N 434.518 0.960 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840191474 ZSNFJNOLRODAFF-LJQANCHMSA-N 430.523 0.243 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1)c1ccc(O)cc1 1840221489 UQJCMQPWJYUEMX-YKSBVNFPSA-N 443.544 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840617099 LYHADNSWFLAOGF-QFIPXVFZSA-N 438.521 0.911 30 20 ICED CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1840813223 NFFRBLFVRNHTMG-NRFANRHFSA-N 431.493 0.886 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CN2CCN(C(C)=O)CC2)C3)c1 1844726283 OUXUPGBIMXSVBL-UHFFFAOYSA-N 439.516 0.548 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1847069916 UHXQNHYBNDBTAB-INIZCTEOSA-N 432.521 0.729 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 30853245 QFLVCKWGWOLRLB-UHFFFAOYSA-N 437.481 0.801 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 434436329 FQPMWRSSFPDGEV-CZUORRHYSA-N 428.536 0.154 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 437064953 QLEQRKLVHCXLJC-DOTOQJQBSA-N 428.493 1.383 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3c3cccs3)n2)cc1 441026885 HSYVOOBRWVDJOB-INIZCTEOSA-N 435.469 0.898 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 442358659 DCIRXDMRXRHERU-UHFFFAOYSA-N 443.894 0.715 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(c2ccnn2CCO)CC1 460611230 DNUFNFNAVRGJQF-UHFFFAOYSA-N 448.487 0.981 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 460689821 KRRQMQMQCCYLOD-CYBMUJFWSA-N 435.410 1.481 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)c1C#N 471701659 QMJZEYHCBQIYAF-QKKBWIMNSA-N 427.509 0.750 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 480516180 STAMBJDTWAGJNB-KRWDZBQOSA-N 431.512 0.215 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 482080097 URXXJONUTGWKMQ-JTQLQIEISA-N 428.396 0.878 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 486073605 MRTQVIIOSVFWSC-UWVAXJGDSA-N 433.578 0.709 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 490284340 LFWCKTGGZJNXPL-ADKRDUOOSA-N 449.558 0.959 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCC(=O)OC 502052967 PXIFIBIYFFCQOL-UHFFFAOYSA-N 431.518 0.016 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 505839010 PWRRZDVYIXQSIV-UHFFFAOYSA-N 433.519 0.356 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508739415 KHJNYAFFYXRJDO-MSOLQXFVSA-N 436.557 0.557 30 20 ICED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538349458 UYRSFCHYIASWHM-CTNGQTDRSA-N 432.496 0.780 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1Cc1ccon1 542092898 GJBKVHAHYHLVHL-UHFFFAOYSA-N 442.884 0.783 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(F)c1 546611162 VRLSVAXPPBNKKS-UHFFFAOYSA-N 426.451 0.914 30 20 ICED Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 561819291 DUFOLENJHVMWIQ-ROUUACIJSA-N 444.517 0.838 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 561939741 STXNEIDTUBRQQT-UHFFFAOYSA-N 431.478 0.068 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 563791360 SXJKEQZFEQYGNT-UHFFFAOYSA-N 444.517 0.474 30 20 ICED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 571324414 WMLOYSCEICNUOE-SUMWQHHRSA-N 425.532 0.508 30 20 ICED CC(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 576384900 TUABLRBSAUTMIO-UHFFFAOYSA-N 433.303 0.902 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589161784 ZBXWEMPQGOZYIG-UHFFFAOYSA-N 449.554 0.196 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)n1 589390232 JCQIUISPSWTFAU-UHFFFAOYSA-N 439.457 0.172 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 603729940 YYJXPRIUQFRITF-ROUUACIJSA-N 440.543 0.668 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(OC)cc2)CC1 677788933 FGPSLSSANQUJHW-UHFFFAOYSA-N 440.504 0.325 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)CC1 742290015 IROSCGFVEDWJND-UHFFFAOYSA-N 448.879 0.632 30 20 ICED C=CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 742569069 ZNHGNJCONMQWQY-UONOGXRCSA-N 425.532 0.705 30 20 ICED C[C@H](CC(=O)OCCCn1nc2ccccn2c1=O)/N=C1/NS(=O)(=O)c2ccccc21 744115963 GDDGZDOHEPVIIW-CQSZACIVSA-N 443.485 0.947 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 749634979 GLFOYVALGLHJBZ-UHFFFAOYSA-N 446.489 0.045 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 753651519 ALSGFQNWJJLMSL-VEVIJQCQSA-N 426.495 0.138 30 20 ICED COc1ccc(N2CCN(C[C@H](O)CN(C)CCCc3[nH]nc(N)c3C#N)CC2)cc1 754073551 AGSZDGIXABJJGZ-GOSISDBHSA-N 427.553 0.920 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C#N)C1 754381053 ZXLQAQGZYJHASE-CYBMUJFWSA-N 433.490 0.697 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C 755550486 WALJWYRDENHLKN-LSDHHAIUSA-N 434.497 0.960 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758762284 SNWBEQNEPQQGJY-DLBZAZTESA-N 436.557 0.941 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 760879803 YRZWIWBRRZWANM-STGLLQLASA-N 449.508 0.535 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 772310989 IYIDOOSRLKFPTH-HNNXBMFYSA-N 427.530 0.519 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 787342584 PACRDLOPDJYPQC-UHFFFAOYSA-N 437.481 0.468 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(C#N)o1 796151232 LJDBOJFSLFUDIJ-UHFFFAOYSA-N 449.441 0.976 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCn2c(Br)cnc2C1)c1cc[nH]n1 801236950 BPEOSKUGIWGGDL-UHFFFAOYSA-N 425.243 0.695 30 20 ICED Cn1c(=O)c2nc(COC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[nH]c2n(C)c1=O 805589598 KPYIFJDEWMXEDH-GFCCVEGCSA-N 426.408 0.541 30 20 ICED C#CCCN1CCN(C(=O)CN(CC(=O)N2CCN(CCC#C)CC2)c2ccccc2)CC1 812482273 IVDSPWXDVCYGCG-UHFFFAOYSA-N 449.599 0.828 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 815718465 CCKPLVNITIOKHQ-UHFFFAOYSA-N 433.472 0.177 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 916173870 YHIJDBVNKRZMIR-UHFFFAOYSA-N 428.478 0.827 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CC(=O)N(C)C 918730024 ZMBGBPXCFVITFY-UHFFFAOYSA-N 440.525 0.202 30 20 ICED CCN1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1313875582 AOFFSWQTWHNRSO-DOTOQJQBSA-N 439.586 0.739 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(CN2CCC(O)CC2)cc1 1318517898 SYLNSCSXEXIWQG-MRCUWXFGSA-N 427.505 0.969 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344549757 UBFABBSQNLLMSV-GOSISDBHSA-N 427.505 0.160 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1539803767 NFLKQCQAASTIJE-HNNXBMFYSA-N 446.961 0.468 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)CCO1 1555994669 JUXDXRHSFVDYSY-OAHLLOKOSA-N 446.533 0.930 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1655722517 OHMKFUAZNWCMOF-LBPRGKRZSA-N 430.280 0.763 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CC(=O)N(C)C 1693750652 WKWVURZBDXTGQV-NVXWUHKLSA-N 439.524 0.985 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1729309143 YQAQRMUHQDTERK-QGZVFWFLSA-N 446.533 0.830 30 20 ICED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1729543278 SPDIKMOBOSTZQP-UHFFFAOYSA-N 433.463 0.966 30 20 ICED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOC1 1729953181 IUVQMQPOTJZSNE-IIBYNOLFSA-N 426.477 0.846 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1=O 1730786700 PTXMIWMCHQMQNX-KSFYIVLOSA-N 440.504 0.652 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)ccc21 1777864827 TZPRCGHLIICRNL-QFIPXVFZSA-N 425.489 0.870 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1778977936 AWWCAHFJFUSWKL-ORQYLMBXSA-N 433.549 0.790 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1780605148 FMFVXQMCVCGKRK-UFUUVDDWSA-N 445.560 0.940 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781056069 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N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nnc5ccccc54)[C@H]3C2)c1 1784897917 MJYRDMDMVHCBLA-FTRWYGJKSA-N 433.472 0.925 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NC=O)C[C@@H]32)c(C#N)c1 1789843277 CESVLDGLGUEDKU-QHERXFFYSA-N 428.489 0.224 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)cc1 1792425136 WHGPDGTVZNNSSP-UPHUGPLXSA-N 449.467 0.882 30 20 ICED 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)C1 1792896102 DNQMKOUOOVQUHE-UELGHVSGSA-N 449.548 0.816 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(COC)CC1 1793341483 VYXXRVJSXUCQLO-MHORFTMASA-N 449.548 0.919 30 20 ICED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793744449 XUIHRDMAZLKGQN-JHDGKUDLSA-N 426.517 0.949 30 20 ICED Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1795769429 GZVPFHIHIPZRRA-CKCMSHCYSA-N 433.509 0.471 30 20 ICED 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O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)N2CCCC2)[C@H]1c1cccnc1 1804152767 IZMSBTAGRJMSGA-HTAPYJJXSA-N 426.473 0.578 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)C1 1806009800 QYRSHQDJGMHRKJ-QGZVFWFLSA-N 430.505 0.527 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cc(C)c(O)nc2=O)CC1 1824494931 DRDOZASBNLAKTG-MJGOQNOKSA-N 444.532 0.915 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1NC(=O)C3=O)CC2 1825667310 RCWFRBGLXZCGER-SECBINFHSA-N 438.421 0.592 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1829766357 UUWVPGUWFJLPHP-NYPGBQQYSA-N 434.468 0.093 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)cc1 1829899052 RQBRXZXHQBZWLB-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1831402810 RXMKUGPIODBSOG-BTHQRXJZSA-N 427.501 0.980 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1831405810 KGYKKFACFMYCMY-QFIPXVFZSA-N 448.520 0.928 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831406489 ROGSHFDSEFKUDI-QFIPXVFZSA-N 433.505 0.438 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831413277 ULOQQOBYEAULRW-HSZRJFAPSA-N 446.548 0.962 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831427270 SUHSOSUERNGRPD-HJPURHCSSA-N 443.500 0.591 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831492182 KEPYVFVHOMXDPL-XLIONFOSSA-N 428.551 0.907 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1832917148 GHVAIRGNPXVTEX-IPMKNSEASA-N 449.596 0.809 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)c3ccco3)CC2)CC1 1833085457 WKXZPOBUVYWEJB-QJKPHDSHSA-N 444.532 0.743 30 20 ICED COC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714668 HXOKEIVFGYADLN-UHFFFAOYSA-N 435.569 0.793 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1835058977 IUDUTTNYIOSWCC-MAUKXSAKSA-N 438.573 0.806 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102742 WSEGGXOTXJRIPY-WMZHIEFXSA-N 425.485 0.115 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1835681300 WTEHERHUCWDSQL-QFIPXVFZSA-N 448.495 0.883 30 20 ICED Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1835843190 KWSZNESUVKZOGF-WMTXGSMFSA-N 433.490 0.507 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4sc5nccnc5c4N)CCO3)C2)CC1 1835878495 WMWMXOAQSPOTTM-FQEVSTJZSA-N 442.501 0.647 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)N1CCN(C)CC1 1836371467 UHMROUSMVSKHBD-SFHVURJKSA-N 432.613 0.744 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836986392 UFWPJCFBGWFLEH-FDDCHVKYSA-N 442.516 0.977 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837279447 PLTIUNYSOCJRSZ-MXBUBSDBSA-N 435.565 0.766 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c(Cl)c1 1837366349 SKQYHJJLCHSURB-HXUWFJFHSA-N 445.863 0.158 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443810 KDPLQCXCVACKDX-DRNULCDUSA-N 442.582 0.073 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C(F)(F)F 1837678931 CLKVVMIPJKGZHQ-KSSFIOAISA-N 435.443 0.866 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837977541 KPECZFFANMYWFE-HTAPYJJXSA-N 433.505 0.733 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838106484 ZYWLXXKTOOTCQV-NRFANRHFSA-N 433.461 0.149 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838215617 GTXIOWWMHNAUJL-CWZGJQGVSA-N 447.492 0.384 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838375948 QZIYDMKUCMJXFE-NRFANRHFSA-N 441.419 0.577 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1C 1838739070 KBDRDKGFJWKEOC-FQEVSTJZSA-N 428.449 0.012 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742106 RIFNQSQLUOTLHA-KSFYIVLOSA-N 439.472 0.819 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906162 UXJIONUDBZOMFP-NRFANRHFSA-N 425.445 0.821 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1839452982 HZNRDMBZCGCUAE-WMZHIEFXSA-N 440.500 0.558 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840293730 SOMXVLLIZWCTSC-JOCHJYFZSA-N 428.489 0.670 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1840715612 HZGIFADCLMTTGD-KNLNXMFASA-N 442.516 0.106 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C(F)(F)F 1840855700 QTQOZXDJGQNXOK-CRAIPNDOSA-N 435.443 0.866 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)c1ccc(O)cc1 1841962821 IUUAMBHGAACHGD-AEFFLSMTSA-N 438.484 0.691 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCOCCOCCOC 1847806680 MGLNXWURSCMHJE-UFYCRDLUSA-N 440.537 0.313 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)CC1 108793637 RVZZAVQKSFZCGS-ZDUSSCGKSA-N 448.457 0.433 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 427366033 LFJBKQWULUTSGL-UHFFFAOYSA-N 432.444 1.246 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 428369691 JYPIXRAXJKTUGZ-UHFFFAOYSA-N 427.430 0.093 30 20 ICED COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 435827417 PIJNNQTYKIZZBO-CYBMUJFWSA-N 437.460 0.991 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 441958603 VGYKQSKQQVYYEC-CQSZACIVSA-N 442.497 0.882 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)cc1 442505026 GDNXUAHLHCLZNN-GOEBONIOSA-N 425.507 0.430 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)C1=O 443336607 VYANVCPBCWRNRB-GOSISDBHSA-N 443.504 0.583 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1)S(C)(=O)=O 446528052 TXNCUBISFYOHAX-UHFFFAOYSA-N 437.522 0.095 30 20 ICED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472195262 OLPKXCFFRSBWND-UHFFFAOYSA-N 433.490 0.906 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 479666855 YPVWPWSZIBCYQL-JKSUJKDBSA-N 426.516 0.527 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CC1 480325640 KWJQOMXCPQQLFP-UHFFFAOYSA-N 435.550 0.352 30 20 ICED N#C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 481779867 APJGASZYFUBZRX-MRXNPFEDSA-N 438.481 0.190 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497581294 VWDVSTCMOMGZAW-GJZGRUSLSA-N 446.554 0.344 30 20 ICED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 508030758 ZDTFJCZUYIHANM-LBPRGKRZSA-N 442.925 0.668 30 20 ICED COc1ccc(I)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508333701 SFSHBITWASFAFR-UHFFFAOYSA-N 440.201 0.518 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 512884479 XDPSZVKYEUWMOX-KRWDZBQOSA-N 440.435 0.671 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 515351811 BFNMVGQBOLRPBT-UHFFFAOYSA-N 432.458 0.704 30 20 ICED Cc1noc([C@H](C)N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 518418818 JBJKQNQHVXANJY-AWEZNQCLSA-N 432.506 0.776 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 527090166 JBOPHMJVEKONGX-UHFFFAOYSA-N 427.465 0.408 30 20 ICED CC#CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)O 543785915 AKJZHVZHCJPIJW-GFCCVEGCSA-N 428.410 0.672 30 20 ICED CN(C)CCOc1cnccc1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 570431014 LXHDPIOYXOACAQ-UHFFFAOYSA-N 448.487 0.788 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 583343642 DPHOVAUVKRAVKE-YTQUADARSA-N 437.500 0.687 30 20 ICED COc1ccc(OCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 585693531 PBJLZJBYMURZDY-FQEVSTJZSA-N 436.468 0.979 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603793659 UTKPQKAAIMCXCM-UHFFFAOYSA-N 440.525 0.710 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 608869411 LKWQZKFMALODTM-INIZCTEOSA-N 435.550 0.469 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 617367131 BKXGRAHSGOZMPE-UHFFFAOYSA-N 427.486 0.783 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734436416 XHYOXJWHBDFONU-NFBKMPQASA-N 440.544 0.888 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 745353241 HBUMEKKGERWVNB-CXAGYDPISA-N 445.501 0.924 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 756893320 TWXCZDULKAXGSH-KSZLIROESA-N 449.552 0.575 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O 759241689 XDMNWTQXPRDJKP-LSDHHAIUSA-N 430.461 0.827 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 766060060 HZHSWGNMDXBGOR-UHFFFAOYSA-N 437.499 0.719 30 20 ICED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 766566981 UBWMYGRVYAGMST-HAPAKVKZSA-N 438.506 0.046 30 20 ICED CCOc1cc(NC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)ncn1 768335178 ATQDALXQFREVIQ-HNENSFHCSA-N 429.481 0.988 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 773398657 SLGYACFEWOMHAS-QGZVFWFLSA-N 430.505 0.323 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NS(=O)(=O)CCCC#N)n2C 776119728 YTRQNUIPDSCTJZ-UHFFFAOYSA-N 441.535 0.506 30 20 ICED C=C(Br)CNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101757 PSLWQMPGLBWMOS-UHFFFAOYSA-N 436.250 0.689 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)n1 808195221 FNVHJNGHVOVAGZ-IBGZPJMESA-N 438.488 0.198 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3[nH]cnc23)c1 811609790 OCJYMWKKMCMCKC-NSHDSACASA-N 428.430 0.448 30 20 ICED CC(CCCCNC(=O)OC(C)(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 811645241 FFHVTTYDOYEAGM-UHFFFAOYSA-N 431.515 0.433 30 20 ICED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 824975892 JRJNMKGISLYMRY-IBGZPJMESA-N 447.448 0.406 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 853052551 WLVUYMVRYQEFSZ-QMMMGPOBSA-N 439.234 0.687 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917760884 JMASSPDUZOIBCH-UHFFFAOYSA-N 431.562 0.927 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)CC2)nc1 1251547808 UMMUUUZKXHWQKZ-UHFFFAOYSA-N 427.509 0.701 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(C(C)C)n2)c1=O 1253685943 SVFHTVZBPMKRKI-UHFFFAOYSA-N 430.555 0.779 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1=O 1298846144 IQWZHHJIYAMHIM-ROUUACIJSA-N 431.512 0.819 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1299384283 INYJPSFMIXLOIX-VFNWGFHPSA-N 426.498 0.881 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1611686755 LSRHFXJEHSFKBG-YOEHRIQHSA-N 429.522 0.053 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccsc2C#N)CC1 1645391100 ISWSXHZVQISGAX-CYBMUJFWSA-N 447.542 0.734 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1696973773 ODCCJMCDPCMOHL-IBGZPJMESA-N 439.520 0.776 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)C1 1698484308 PTTHCIIGHYCXCF-BEFAXECRSA-N 440.545 0.469 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1698486241 VNTKWRQIICWPNU-MRXNPFEDSA-N 449.558 0.876 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748390436 XOUMXBPMSPZDOY-CJNGLKHVSA-N 427.513 0.504 30 20 ICED COc1ccc(F)cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1748844202 XKYPNYLCMCHOHQ-IUODEOHRSA-N 438.485 0.813 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749269315 PSTBJLIOLSFOAH-HUUCEWRRSA-N 443.957 0.760 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779102182 DQCVDQIZAIVYMA-VABOSUEISA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779103758 YKSXVYQDRXESHS-KDGIGMFRSA-N 442.476 0.930 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779103793 AVRIMOVFBYUWJJ-YBTWFPHOSA-N 433.509 0.712 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105124 ATVGGPHDMKKRSD-VXCJRKBUSA-N 441.481 0.907 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779196284 LVXQZADFOLUDSP-LSBZLQRGSA-N 429.539 0.484 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779202536 VGJVLSDQNNXIRL-VSDLEHRUSA-N 445.476 0.379 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779654207 GNGRMGKYHQMWSX-SCLBCKFNSA-N 428.411 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1781270556 OODOSLLAWALDLJ-OAQYLSRUSA-N 430.461 0.359 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782234392 ORWXHFFXRFZUIA-HBUWYVDXSA-N 433.427 0.217 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666193 HJUUVGRBWJPFBR-LUQKVYGDSA-N 434.562 0.984 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783929368 LZJCWYIRVCHBFA-YADHBBJMSA-N 429.473 0.812 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c1 1785077194 SBNBVDPPCIRQFI-OYHNWAKOSA-N 439.472 0.309 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785871159 QCTADHPHIBGMIL-BQFCYCMXSA-N 431.489 0.488 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786638058 URSAFTSGNTZRGM-HJWRWDBZSA-N 439.472 0.531 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788659102 VRJDNQGMXCEPIB-FSVRAMNHSA-N 448.564 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1789891403 XLOVNCYWFMNLEF-IEZWGBDMSA-N 441.488 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1792490876 RMYHJVZSYGHKMV-GXDSFMDGSA-N 446.435 0.796 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1cccnc1)C2 1792491281 HADHRFRFXAQNSB-YTRCMYEKSA-N 426.517 0.852 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793220806 MJONTJKUTZIXIR-MPTYRVRUSA-N 445.582 0.826 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1793345255 OUKKQFIYNDSIJD-JFILPPLUSA-N 428.411 0.680 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c(C#N)c1 1794086640 ZBSUPWUOHYJRFD-BJWYYQGGSA-N 439.472 0.299 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794116791 FYAWMZPXPIQAEJ-KPEUIFRASA-N 435.546 0.641 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277975 VTHLMWNZYIXDSO-YETHRVDNSA-N 434.453 0.959 30 20 ICED COc1cccc(N2C[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CC2=O)c1 1795079696 MJCVDSPZUBFJCX-YUWJWYLASA-N 426.473 0.551 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1797686594 PJXPBQDPLQVCMA-BQJWPVKWSA-N 449.504 0.331 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818677 YQFKNGTWWHRCQY-DAHXEQDNSA-N 433.509 0.638 30 20 ICED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)c(=O)nc1O 1801971178 KKVXNSKENGKKDA-IZZQQSIFSA-N 437.456 0.032 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1803549269 WHGYHSXQYIQRBV-CBQOVEMMSA-N 427.549 0.373 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803647635 GGGDCASRRPQOCX-SOLBZPMBSA-N 430.461 0.705 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804355162 SGKGGUBFCGFWSY-IIDMSEBBSA-N 435.444 0.199 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810351670 NWJVXPBVGMXPLP-GZHDQSLTSA-N 447.536 0.539 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810390598 SMFZGLIOFVWUEC-BIGGXTMTSA-N 437.504 0.639 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812641903 XQHZIPQLAHEMAX-ZIFCJYIRSA-N 426.521 0.505 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)cc1 1819892375 ZZXYXHYKDYWTRQ-QRWLVFNGSA-N 441.513 0.891 30 20 ICED N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819947328 DNUBYBCZJMQIJG-PITUFAOZSA-N 429.506 0.607 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1820897225 GUVZHYVORZSYJD-HNNXBMFYSA-N 443.460 0.836 30 20 ICED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822379354 GMLLBXOGJDZMHG-JSGCOSHPSA-N 429.568 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1823749228 KACOMVAAWQVWRT-QWPQOLDESA-N 448.520 0.008 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1829895661 DCBRQTOGSRDCIR-QHCPKHFHSA-N 426.517 0.653 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1830464626 PBNXJXPVMGUVCK-FQVRHNBASA-N 432.904 0.919 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CC)CCO3)c(O)n1 1830515545 OCNYUSMOVUBOST-AVRDEDQJSA-N 433.505 0.747 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1831393930 SFLMBPBXIWACIK-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1831404367 MBUWKOZEIRBJKR-MHECFPHRSA-N 426.513 0.896 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831495813 NJINSAMWGVKUIA-LAUBAEHRSA-N 435.546 0.810 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831609698 OWOTUSLXSMYHAQ-IVZQSRNASA-N 446.479 0.208 30 20 ICED CN1CCN(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)C#CC(=O)O)CC3)CC2)CC1 1831673256 LFAAARJHKPYVSZ-LJQANCHMSA-N 430.549 0.474 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832758863 FICDMCVPLHPREN-VFNWGFHPSA-N 449.529 0.759 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762464 BYQSDKRVIQINRR-OALUTQOASA-N 445.564 0.925 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4cnccc4n3)CC2)CC1 1835326003 HJKYEJWFFZHLNI-UHFFFAOYSA-N 435.484 0.903 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1835346718 QYANCDOEBUZFDJ-XXBNENTESA-N 437.500 0.513 30 20 ICED O=C1CC(C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)=NN1 1835780107 MDIVUIAQFAFFCA-LPYMAVHISA-N 428.493 0.146 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073379 FZHWKCILMUWNFN-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440517 LXTRIOKIVFVZPR-PXJFTPKESA-N 436.553 0.897 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837488751 PYVCBRMITYITNR-HSZRJFAPSA-N 444.484 0.408 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837943446 IKKOGECGWYNQEN-BEFAXECRSA-N 438.506 0.199 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)CCO2 1838443148 CXVLGDOZEXLBQB-QHCPKHFHSA-N 449.467 0.200 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)c1 1838739237 OQNASJIWOYPOHU-OAQYLSRUSA-N 442.428 0.387 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949755 RROIJUDWOXDDKD-QHCPKHFHSA-N 442.516 0.791 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#C)C2)C1 1839130777 UHLTWOHLALQYOT-FDDCHVKYSA-N 447.532 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839226683 UMNJAXVDAHEHLF-UWJYYQICSA-N 439.509 0.753 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650954 CSLHNUTVNKALNU-VGOFRKELSA-N 448.520 0.144 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669435 BAIKEKBLBZGTJE-HTAPYJJXSA-N 446.504 0.786 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840158862 RQLXGQJGILBFNA-TVQRCGJNSA-N 432.392 0.116 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840161606 VAQNBSGNNLUUTG-BTYIYWSLSA-N 435.546 0.962 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840294835 OBZGHVUBHBHNKL-QFIPXVFZSA-N 430.505 0.929 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360465 FACSEHGWPOFXSG-YVHKJVDXSA-N 432.521 0.562 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)(C)C 1840812184 FANDDPXLSCXTDJ-JTSKRJEESA-N 434.537 0.687 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840909473 SXIJWHALLWUTMQ-VGOFRKELSA-N 448.520 0.663 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)cc(C(F)(F)F)c1 1842880771 BTEALJLBYXSPOG-HNNXBMFYSA-N 437.422 0.987 30 20 ICED N#Cc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 28775885 QWJZVEMCPLMIMR-UHFFFAOYSA-N 442.457 0.391 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 60638239 UAMJQQRFIPYFTN-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CN(CC(=O)NCCCNC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc(C#N)cc1 110469592 PVVIPHJJQVAFDG-UHFFFAOYSA-N 430.486 0.821 30 20 ICED CCOC(=O)N1CCC(N/C(N)=N/Cc2cccc(S(=O)(=O)NCCOC)c2)CC1 304750715 IPHIGOYHTCGCRE-UHFFFAOYSA-N 441.554 0.637 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C1CCC1 431043630 RSNHAJYWUHWKGI-UHFFFAOYSA-N 444.582 0.648 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 434584646 JUXPANZWBKGVOI-HNNXBMFYSA-N 439.538 0.658 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 440287430 ZPCCRBBETJJBAJ-UHFFFAOYSA-N 446.471 1.275 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n2)c(F)c1 441720973 SMGJHOWTYXNFCN-LBPRGKRZSA-N 443.357 0.956 30 20 ICED Cc1ccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 469455201 SFUVNQIAYXWKQT-UHFFFAOYSA-N 428.536 0.293 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1[N+](=O)[O-] 471056271 NQWQZPZWGVZKLV-UHFFFAOYSA-N 444.429 0.703 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2)n1 471900599 GCKHWQZAQGFCAO-FHWLQOOXSA-N 447.561 0.092 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)ccc1[N+](=O)[O-] 478839306 NAVGWULGPBFJBH-CYBMUJFWSA-N 429.454 0.862 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCCC(=O)OC 481970255 FAGGKFMJFGBAPX-UHFFFAOYSA-N 442.522 0.601 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 497951914 RMCMFGMOSXOLBY-UXHICEINSA-N 444.557 0.628 30 20 ICED CCN1C[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1C 498914989 KLXWWDONQHPYSA-ZWKOTPCHSA-N 433.578 0.806 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 505684181 NSJXXMPJBZMHRN-UHFFFAOYSA-N 437.529 0.283 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508889176 QYXAORKCHUWZAF-ZDUSSCGKSA-N 434.588 0.373 30 20 ICED CCN(C(=O)[C@H](C)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@H]1CCS(=O)(=O)C1 513589547 XENRWYOAQCKRTA-VCAMNPENSA-N 430.530 0.756 30 20 ICED CCN(C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1)S(C)(=O)=O 519512235 VIQIJGTXNQQGGK-UHFFFAOYSA-N 442.563 0.765 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 552940008 FULSZXYWYOZRDU-LLVKDONJSA-N 447.448 0.687 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 571117145 LKBGLYGAIPUVQL-UHFFFAOYSA-N 429.447 0.645 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 577450966 VXNOAJWMMLBHIJ-UHFFFAOYSA-N 438.553 0.693 30 20 ICED C[C@@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 581553111 BVRDYZIOGLMZBM-KSSFIOAISA-N 431.456 0.910 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)ccc1Br 590245689 CTJMOBHNTKCIOI-UHFFFAOYSA-N 425.283 0.412 30 20 ICED N#C[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 609269045 FBXCCAVIOCQAKD-CQSZACIVSA-N 434.474 0.520 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H](C(F)(F)F)C2)CC1 610079204 LLIUPWZOOXQAHN-MRXNPFEDSA-N 446.451 0.654 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cn1 615373288 HFOXZVKEUYGFDX-QGZVFWFLSA-N 433.403 0.916 30 20 ICED Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 727011095 YEHPAQIHZHXFQG-UHFFFAOYSA-N 430.442 0.426 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 729281970 ULOOKRRGAYICIJ-LJQANCHMSA-N 446.573 0.371 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 731129207 ITEAOKJYHJYAHJ-CQSZACIVSA-N 440.547 0.655 30 20 ICED CC(=NNC(=S)NCCCN(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 731929689 IULJMDKPDJVNFD-UHFFFAOYSA-N 449.624 0.552 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735499433 SCTYBMXEVQAOGV-UHFFFAOYSA-N 436.534 0.885 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1-n1cnnn1 755552248 MSNSOPFPPIINQV-ZFWWWQNUSA-N 440.464 0.785 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 759880945 YMTPXSBLEBDNBM-INIZCTEOSA-N 426.498 0.890 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 760470987 MUDLQDJELZSAMI-CYBMUJFWSA-N 426.926 0.780 30 20 ICED C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 774442471 MQIWQPYZNCTRGI-JJMFFDHPSA-N 442.563 0.711 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 783480702 SNESEFPUAFGONJ-CQSZACIVSA-N 445.888 0.985 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)[nH]3)CC2)c1 786072789 YTMYFYJUPANSBX-UHFFFAOYSA-N 444.469 0.779 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCn2cc(C(=O)OC)nn2)C1=O 790017051 XRKGZMKDMPVKPL-HNNXBMFYSA-N 441.473 0.704 30 20 ICED COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1OC 790194611 HNMGGGBQYQOOJJ-PEZBUJJGSA-N 443.865 0.940 30 20 ICED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 792447093 PXFIBIOANTVVDJ-OAHLLOKOSA-N 436.534 0.630 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514442 DUSRFAAPQBKPKB-BLVKFPJESA-N 439.490 0.385 30 20 ICED CS(=O)(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 800630357 DVJNVTIPFISVRE-AWEZNQCLSA-N 427.548 0.931 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)c(C)c3)n(CC(N)=O)c2=O)cn1 808132339 KKGYHTZYZCEYIX-UHFFFAOYSA-N 435.509 0.614 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 811832185 XQLQTBKMGRAJBC-CYBMUJFWSA-N 429.454 0.881 30 20 ICED COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)c1 813979598 USODFDNBDRCELK-ZDUSSCGKSA-N 430.442 0.828 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccs1 839327996 ZPHWIFINPFXBPR-UHFFFAOYSA-N 429.527 0.019 30 20 ICED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 915386798 SEXOIEWEWDXULV-UHFFFAOYSA-N 442.475 0.228 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918172918 KYVSUFZPOZCOFR-UHFFFAOYSA-N 431.495 0.293 30 20 ICED C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918269964 OHWZFWUPHPPWFG-WYOZQYPVSA-N 432.506 0.839 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1OC 1135797015 RXGCCFSHSGVJKV-UHFFFAOYSA-N 441.444 0.212 30 20 ICED C[C@@H]1CN(c2cccc(CN(C)C(=O)Cn3cc(C#N)c(O)nc3=O)c2)S(=O)(=O)C1 1155870275 UTVDVBRJFRMMHZ-CYBMUJFWSA-N 431.474 0.265 30 20 ICED N#Cc1cn(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(=O)nc1O 1167523700 PEPDYLYBFHZQRL-UHFFFAOYSA-N 431.399 0.767 30 20 ICED CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314538024 ITJGOXNOQVQHSE-GOSISDBHSA-N 446.581 0.751 30 20 ICED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1503117549 IMMOMYBBQMYMJI-YESZJQIVSA-N 432.504 0.889 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1612977996 KBNYCNOIPMYXRO-OPAMFIHVSA-N 439.520 0.462 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@]2(O)CCSC2)cc1 1620352479 RTDSUKWNEDXTLW-HXUWFJFHSA-N 428.518 0.923 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1751854070 XCTRSNURLJEXRX-SJORKVTESA-N 448.553 0.150 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1761362900 JEUKPHBRSKEPMT-DZGCQCFKSA-N 429.568 0.743 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1770740762 WUGAJYNASIMAHF-UHFFFAOYSA-N 449.558 0.876 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778955052 RIUWIFNEUDKTCX-JTSKRJEESA-N 434.537 0.223 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)C(F)(F)F 1781802567 LZDCOSPAAGQBCH-XWCIJXRUSA-N 432.399 0.217 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCC1=O 1781960933 BMWNDQWIPAKHNY-NRFANRHFSA-N 427.436 0.749 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1782358400 YUONGEVCHLDVHM-VQIMIIECSA-N 429.454 0.419 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782665272 XVNGITVBRBWSIM-OAQYLSRUSA-N 425.420 0.398 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)c4ccn(C)c34)C[C@@H]21 1784485130 JTGRHHQJPLPTHG-LNMJFAINSA-N 440.500 0.911 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1784490056 OCOJKVQVHPFPJG-MPGHIAIKSA-N 432.477 0.751 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c1 1786891541 YRLXNMWUIQDHHP-KANFNMMFSA-N 427.505 0.053 30 20 ICED O=C(Cn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1787119648 GEVUDWKSGXYFPB-OZZMQFRTSA-N 429.502 0.758 30 20 ICED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)c1ccccc1 1788710686 PHFCHKXURQHLKF-YRPNKDGESA-N 426.517 0.832 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)cc4nn[nH]c34)[C@H]2C1 1789285764 PJDRXNMQHIGPDT-XEGUGMAKSA-N 431.836 0.293 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1791267217 CNSXEXHZOKNYKW-SNRMKQJTSA-N 433.530 0.882 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1cccn1 1791640812 DVHRBQNPDQHDFO-CGEBAJNDSA-N 433.509 0.953 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1795416977 IBHPAXJSPFDDMP-MFCZKXCZSA-N 430.530 0.990 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OCc2ccccc2)CC1 1797247210 GMCZHQIJFDTCFM-IZZQQSIFSA-N 426.473 0.949 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)c1 1799801067 JNDHTKSJQXONHI-VTYHHJSWSA-N 425.533 0.317 30 20 ICED 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 1800988681 PRECGPYDLNPTGJ-UXXRCYHCSA-N 431.555 0.170 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803557141 XTXPTOHIZSQGQR-QKLQHJQFSA-N 443.504 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1c1cccnc1 1803582365 WLGPVQWITXAXGD-QFHJOOASSA-N 435.546 0.806 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804341206 IHCVFPDTJBUGSG-WTTBNOFXSA-N 433.534 0.640 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807693321 VEBLIKZMMZMQDH-YDZRNGNQSA-N 428.537 0.092 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819475836 BGYRSGNBTKBNNM-ZBQDVAGSSA-N 441.448 0.712 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819948356 QFAKZJOSHPZVCE-NEFISRKZSA-N 432.506 0.360 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1822204737 PNQFLFWQEMPZFB-NSHDSACASA-N 435.487 0.350 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824898939 KSYCWJKHZRABMU-JTGQJZMRSA-N 445.520 0.016 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829899115 UFMBMUGJJBGDNA-HSZRJFAPSA-N 437.500 0.762 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655304 LROWZQNLEWDPGB-QFIPXVFZSA-N 425.489 0.883 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831424305 HBFIGSDJXUUDTE-BTYIYWSLSA-N 429.477 0.619 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)no3)CC2)CC1 1833075187 UUXSXCZROOWAHH-ARJAWSKDSA-N 431.493 0.424 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)C1CC(O)C1 1833275406 FDGDXMJSHVSEGT-BGNLLANUSA-N 436.553 0.858 30 20 ICED CN(C)c1cncc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1833932442 KLXSTEDARHGTFN-UHFFFAOYSA-N 427.505 0.421 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(Cl)c1 1835310248 VSUQVLJYLCPZJI-UTKZUKDTSA-N 446.891 0.560 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835516319 YPIPESRTIXEYPM-AWEZNQCLSA-N 448.593 0.520 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835628734 WLJQPVBJPTXAAE-OAQYLSRUSA-N 443.435 0.960 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838120942 OENRUJZKYUYPLT-YWZLYKJASA-N 431.518 0.656 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1839846281 NXSRYOFDLBHJLI-IEGUWTFLSA-N 444.532 0.869 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840168190 CLKLGQQJNXGJHV-QHCPKHFHSA-N 444.532 0.547 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645595 CJXZXRAIEZHJKH-UWJYYQICSA-N 435.546 0.810 30 20 ICED COc1ccc(C(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15545112 QOAVRCKKWUKWES-UHFFFAOYSA-N 442.497 0.830 30 20 ICED C=CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 410067194 MZYVDDXECUXNGC-UKRRQHHQSA-N 438.955 0.475 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)o2)c1=O 440372849 GBHVMMGSQVSXIG-UHFFFAOYSA-N 430.486 0.067 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccn1 440385016 WXGIGPUVEXJPMZ-UHFFFAOYSA-N 431.477 0.794 30 20 ICED C[C@@H]1CN(C(=O)Cc2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)C[C@@H](C)O1 445403936 PHZJNHSOUHBWTA-ZIAGYGMSSA-N 433.490 0.940 30 20 ICED CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 446878861 FVVNBTZDXDJNIA-UHFFFAOYSA-N 437.522 0.474 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 460720506 UDLCGWVKTZLXSL-UHFFFAOYSA-N 448.487 1.038 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)c1cccc(Cl)c1 470448350 OZLMOEOWRSZRQP-OAHLLOKOSA-N 426.926 0.822 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(OC)cc3s2)c(=O)n1C 473415473 PBWAGRLTBNLRFS-UHFFFAOYSA-N 444.538 0.721 30 20 ICED N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480966877 ZCDXRIHOMUPILU-UHFFFAOYSA-N 433.449 0.754 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 481044130 HQRNORTWSWTMQP-MSOLQXFVSA-N 430.530 0.633 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCc2ccccc2C1 481505534 ALKXDLJRGKZPPD-OAHLLOKOSA-N 426.498 0.926 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 482814875 XSQAONVFJKULEH-GOSISDBHSA-N 448.531 0.909 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 483119737 RCLMDYKZPVTVAL-UHFFFAOYSA-N 427.486 0.783 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 486001546 JBZSIWRQKAZNCX-NIMBFUQJSA-N 436.468 0.328 30 20 ICED CCN(CCNS(=O)(=O)c1cnc(C)c(C#N)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 489640434 RAPWFHNLHSVPHR-UHFFFAOYSA-N 448.530 0.826 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 491172101 PEQNIHHMUSRJAA-UHFFFAOYSA-N 435.322 0.785 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 498023314 AYLJAIYXUKTPHM-GFCCVEGCSA-N 429.296 0.799 30 20 ICED CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 499912064 DFMGVSOGYWQVEN-UHFFFAOYSA-N 427.299 0.658 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)cc1 503343961 PCKITSPSXLTZFA-UHFFFAOYSA-N 443.548 0.944 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nn1CCC#N 504530090 OELDPRJROBTKEW-INIZCTEOSA-N 429.525 0.589 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508803561 XYCAEPCGXPALSY-HNNXBMFYSA-N 427.575 0.065 30 20 ICED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508817911 QCGRISXQWNKWKQ-OAHLLOKOSA-N 443.895 0.195 30 20 ICED COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 521092687 TZMCAEQVWZHEDC-UHFFFAOYSA-N 439.476 0.796 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)[C@@H]3CCOC3)nnc12 524247566 ZLKQXKMQYNGDFO-CZUORRHYSA-N 429.502 0.836 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)o1 526998682 DZIHLZOEZCXRRW-UHFFFAOYSA-N 427.465 0.765 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377311 UZGWZSKWWZQCEM-MRXNPFEDSA-N 448.545 0.913 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCSC[C@@H]2C#N)c1OC 539350460 BNTKWDCAKUXJCQ-ZDUSSCGKSA-N 441.531 0.806 30 20 ICED CC(C)(O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561704354 LRJDUPQRUFIVNM-SFHVURJKSA-N 427.505 0.085 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 568546225 JDLHBZRPJIDKCF-KGLIPLIRSA-N 428.536 0.107 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 575457050 CTWHCPZTKBGZIL-IBGZPJMESA-N 440.610 0.996 30 20 ICED Cn1nc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 588202200 PQBMRLWLIKINJH-SFHVURJKSA-N 430.468 0.978 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC 592994014 UICDYXPDVZOKFC-UHFFFAOYSA-N 426.477 0.679 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 603794836 NXBDQAKHGHTQOM-UHFFFAOYSA-N 443.525 0.699 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 610808561 IFPAYHZKZXJXCD-LBPRGKRZSA-N 434.499 0.462 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O 623214598 GPSJFRPUSUGFPX-CYBMUJFWSA-N 441.444 0.186 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 670198991 CUXXBDFUWBWBNN-HNNXBMFYSA-N 425.559 0.802 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(=O)N(C)C)c1=O 684535828 VSTUVGALJLHSEK-UHFFFAOYSA-N 429.546 0.723 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)s2)c1=O 729671890 WTFFETHZLDZYNM-UHFFFAOYSA-N 444.357 0.805 30 20 ICED CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 731887450 LPTIDTPSPVMGLG-IGGDJGDASA-N 425.445 0.827 30 20 ICED N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731901717 JVUHHVBISXCPCZ-UHFFFAOYSA-N 436.515 0.839 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(=O)N(C)C 732563372 WDXMZDIEUAUXCI-UHFFFAOYSA-N 429.546 0.723 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745385999 BKMLWAGUASCHAZ-ODIUBACGSA-N 442.472 0.903 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(C#N)cn3)C2)CC1 748375433 JQEMEROZCRSYEU-UHFFFAOYSA-N 435.506 0.660 30 20 ICED N#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 749876379 FDDQLKHTMJWMFA-OAHLLOKOSA-N 437.522 0.350 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 755228478 RGVOHYGGDFTCRU-UHFFFAOYSA-N 432.502 0.054 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 755537355 MXKVMNBHSUFLIO-GXTWGEPZSA-N 426.437 0.476 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 761033068 QLVJOCGIIPREKR-UHFFFAOYSA-N 435.575 0.912 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 763215014 FQBDYXQJBHDLNN-WUKNDPDISA-N 432.458 0.119 30 20 ICED C=CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 768487409 HQSQLKVATXCLOF-ZBFHGGJFSA-N 431.555 0.854 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 777243314 NUZGNRJAESBKOX-QXMHVHEDSA-N 445.427 0.915 30 20 ICED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778116101 QMCDPABWUHTDET-HOCLYGCPSA-N 434.474 0.083 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 783013312 ZTCBTBWYKKYDNB-UHFFFAOYSA-N 433.527 0.879 30 20 ICED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 790839982 UKWMOKPPNWLBGB-NSHDSACASA-N 430.280 0.621 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCOC[C@H]1C#N)C(=O)N1CCOC[C@@H]1C#N 796664332 SECQGLRZQDCHDR-PMPSAXMXSA-N 435.481 0.162 30 20 ICED CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 804757126 ZLYVKCVPTNEBDE-UHFFFAOYSA-N 428.493 0.585 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CC(C(=O)O)(c3cccc(Cl)c3)C2)c(=O)n(C)c1=O 814883298 IKNNGUDADYQXRT-UHFFFAOYSA-N 440.865 0.188 30 20 ICED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 915117890 GMJXGOGZOSEKKV-OAQYLSRUSA-N 430.428 0.617 30 20 ICED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116493998 QUPPTINIRFKMKM-IKGGRYGDSA-N 428.445 0.942 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1299287367 LXIMKBMKIGLCAE-UHFFFAOYSA-N 447.521 0.235 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1359474222 OVXJEAUVRFBMLR-TWMKSMIVSA-N 440.570 0.879 30 20 ICED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539593103 SOFVAKAWCVRJIR-UHFFFAOYSA-N 437.346 0.797 30 20 ICED COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555289355 KAQSBQPETYOYTA-CABCVRRESA-N 426.543 0.824 30 20 ICED N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)CC1 1620356864 LIISNRWRKBYKRS-UHFFFAOYSA-N 438.492 0.914 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C1CC1 1692797779 ZCUWACZMWLJODA-QWHCGFSZSA-N 431.526 0.600 30 20 ICED CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696504436 ZYJYNOVUXCUFNC-UHFFFAOYSA-N 430.538 0.688 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1748317412 SDUAZOIAPBMPRJ-MRXNPFEDSA-N 432.506 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1777845772 JFXNSVMDWJOSMM-RGGJKOFCSA-N 427.505 0.761 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779018567 ALRZZYSFLPJIRI-KURUZVKSSA-N 425.493 0.645 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@@H]2C[C@H]2C1 1779102300 GUCJXVFELZZIEB-HWEMAADUSA-N 434.537 0.686 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779103553 WPBOICNUONEZED-VQHJOYQZSA-N 433.509 0.955 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1780101615 GXHXHVRQYPGNOT-HVHIPWAVSA-N 432.477 0.358 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781905961 DDKAJUCXELAGJA-IBGZPJMESA-N 449.305 0.900 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782634892 WCMXKFZEAHNCPJ-OAQYLSRUSA-N 430.509 0.227 30 20 ICED CCN(CC)[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1782818090 JXSJGSTZMFTNTR-GMAHTHKFSA-N 427.501 0.987 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783924972 YBBBCRMPKILWMQ-XZOQPEGZSA-N 443.500 0.937 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)ncn5)[C@H]4C3)c2c1 1784669132 CHGYGSLHAKJBRZ-YEWWUXTCSA-N 447.455 0.837 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376174 LARPAVXWGAUGPL-AOMKIAJQSA-N 428.489 0.682 30 20 ICED CCOc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cnc2c1cnn2C 1786366233 LXNBBAVYAYHSQC-JQFCIGGWSA-N 426.477 0.874 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1786558258 NUJDRJGONUJKBC-ZWOKBUDYSA-N 434.452 0.820 30 20 ICED NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786885994 JNUDQZCHRFXWGA-WNHJNPCNSA-N 446.935 0.264 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787400554 QPXZEMDZUPKYCX-VMXHOPILSA-N 448.564 0.964 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)n1 1790328613 KJCROFQUGCQCGG-QRTARXTBSA-N 434.460 0.470 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)CCC1 1790654974 CXKBSNBFGUQNFX-ZOBUZTSGSA-N 443.460 0.430 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)c1 1791343972 DBKMEUHFFFLRNK-ANULTFPQSA-N 438.528 0.997 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c3ccccc3)[C@H]2C1 1792244300 NXEHOUDCLCWHKU-XPSJOHQASA-N 441.528 0.823 30 20 ICED CCC(=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 1793246306 ZCXIUGHRDBHJPG-ANWFWMTQSA-N 433.530 0.991 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448290 KNZWCTWISFAHNR-NTGVRKBTSA-N 440.543 0.511 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1797742110 FAGSLHXTAHNWBW-KXJCPHRKSA-N 425.493 0.404 30 20 ICED 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)no1 1798204345 HNVBNHDBSJDJGZ-LOUJCGABSA-N 448.476 0.500 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)c(C#N)c1 1798734129 MAYKDWOQIUAJJK-VPTLXERWSA-N 440.456 0.493 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C)C2 1800452307 VZRFYSRAEWPKKJ-KYHPRHEASA-N 437.537 0.918 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803452271 JIBSEHFJVKXVAX-ONTIZHBOSA-N 441.484 0.996 30 20 ICED Cc1nnc(CCC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)s1 1804564399 HRLBQLLYSJCMMY-MGPUTAFESA-N 427.486 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCNC(=S)NC)CC2)C1 1804856169 TWQQHARLXGWARW-WAYWQWQTSA-N 435.594 0.560 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1808369792 QBTKJVFKESGSQX-NJUUZXLBSA-N 431.493 0.751 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)[C@@H]1c1cccnc1 1812877506 MHQHBRUEBXYADD-KSFYIVLOSA-N 432.436 0.984 30 20 ICED COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813267943 PZXFSVJNFYDKER-QADHGOABSA-N 430.509 0.915 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1814063633 LTKCRLKOMNRSBP-VGSWGCGISA-N 446.467 0.914 30 20 ICED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829301537 ODYFXKDONLYRGO-QFIPXVFZSA-N 441.488 0.488 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830617759 UTUNAFFYZQRHHF-NFBKMPQASA-N 429.517 0.964 30 20 ICED CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1831103508 GIERDGYDCFAYTM-QFIPXVFZSA-N 429.521 0.688 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1831402506 JDCYAJHWFMFHQN-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831411540 WGWJUBHVYHTQPY-QFIPXVFZSA-N 446.504 0.459 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831460124 AYOVULLTYAHJQP-IERDGZPVSA-N 449.529 0.309 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676006 OMTZFUMIBBNFRT-UHFFFAOYSA-N 437.566 0.029 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833824340 JRCWGPFLULUDNB-UWJYYQICSA-N 434.493 0.255 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccs3)CC2)CC1 1833835525 OFTRLGRCYRPSRC-UHFFFAOYSA-N 446.529 0.138 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1834630657 JMERZNUTDANWEO-UHFFFAOYSA-N 425.533 0.761 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835626237 JIQNEGZGXKGHQR-NRFANRHFSA-N 425.445 0.821 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835667903 CXECVVVQORTEMM-OAHLLOKOSA-N 448.572 0.692 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836393570 UAKLSGPOSLKEIC-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468469 ATYLGTKMBQZAAL-OPAMFIHVSA-N 447.488 0.514 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836728184 YMSJCHPQZDZVBP-RTWAWAEBSA-N 439.484 0.425 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1837071567 FUKXCJCAXIMDTH-OAQYLSRUSA-N 441.594 0.555 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164251 AFTSYVUWFLOFCO-FXAWDEMLSA-N 433.534 0.754 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837443736 QFJUVQARRQDLSH-YQNSVDCASA-N 429.521 0.932 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837527201 YPRDAENGHOKOBK-SVASYYEISA-N 439.494 0.137 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1ccnc1 1837527277 ZTRHNHZFWMKKJO-YGGSFQBMSA-N 449.508 0.430 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562063 BPPHQSDLQZXMPN-XOBIUNJKSA-N 445.520 0.437 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837565321 SDXZOGJWNNJWET-IIHIVLJSSA-N 447.488 0.498 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837646376 WKDBPSVNJHNTDC-HDGHWJFNSA-N 444.492 0.083 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838533059 IDBDUSXIMHUNHB-GCJKJVERSA-N 433.505 0.028 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838597985 ISIZURGCMJAMCO-QKKBWIMNSA-N 448.907 0.806 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2C[C@H]2F)CCO3)c(C#N)c1 1839098502 YOTCMAMSJJCCBU-JQVVWYNYSA-N 431.464 0.924 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839174684 RQNVXTKCYYWBQC-DENIHFKCSA-N 446.504 0.047 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839176465 PUKAGNXQEYFBGV-OAQYLSRUSA-N 434.493 0.157 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450935 PQCXAWGSVUWKND-NRFANRHFSA-N 449.529 0.371 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1)C(F)(F)F 1840203639 MSOYEHJRLNFQKV-CQSZACIVSA-N 447.332 0.240 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269389 BYZXAKMBAKTRJH-SPEDKVCISA-N 436.553 0.276 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC3)CCO2)C1 1840638985 UIBJQJDZDWQJLS-VGSWGCGISA-N 435.521 0.769 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099412 FTCSAOOWKPVEDM-INIZCTEOSA-N 432.484 0.913 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)cc(C(F)(F)F)c1 1845513262 RBZAEUKCYWOHNA-HNNXBMFYSA-N 437.422 0.987 30 20 ICED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2)NC(=O)OC(C)(C)C 1846305210 WAZXLIIKQUWBFL-QWHCGFSZSA-N 429.539 0.965 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H](C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)O2)C1=O 410120158 PEAQZBBWINPKAV-MHORFTMASA-N 432.521 0.025 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 427691514 XVNJUBIVEVYPGC-GZWBLFMQSA-N 444.495 1.011 30 20 ICED N#C[C@@H]1CN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C[C@]12C(=O)Nc1ccccc12 429225801 HRCICKASODLASV-IPQOISQHSA-N 445.439 1.254 30 20 ICED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 437119794 ZQAKJSMRWMWCMJ-FGZHOGPDSA-N 439.560 0.761 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 437515128 LHGSMKRKCVLFRG-OAOQPFQOSA-N 439.490 0.816 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289496 LVHWRHZATYSTIL-SWLSCSKDSA-N 427.493 0.880 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)n1 440289887 FBHJTUFAMJSYTH-UHFFFAOYSA-N 435.488 1.540 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)nn1CCC#N 441796135 QUMPEZVLEQDFIJ-SFHVURJKSA-N 438.488 0.630 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)c1=O 444407799 PTBINMKGXPTLAQ-IBGZPJMESA-N 436.472 0.319 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460687273 FIPNIJJLACMTCA-HNNXBMFYSA-N 431.478 0.006 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1OC 472858422 KSUCBHZGTNAJGS-UHFFFAOYSA-N 442.476 0.913 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)c1 477030274 CLHCOAGZWRALFM-QGZVFWFLSA-N 436.538 0.273 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)cc1 484935399 GIAGZDKERGLFJU-UHFFFAOYSA-N 443.547 0.515 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCCC(=O)OC 501747923 RLQNYSJRRHWFSD-UHFFFAOYSA-N 429.473 0.807 30 20 ICED CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 502715330 LWPIQCBYJPCMBY-CJNGLKHVSA-N 438.423 0.939 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1Br 504416970 WQMGXOQLIXTESR-UHFFFAOYSA-N 448.342 0.880 30 20 ICED CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc2O1 508329612 YVAROUDTPHLRLA-KRWDZBQOSA-N 439.476 0.365 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)c(OC)c1 509756150 QEYQAEIHMOGYQU-INIZCTEOSA-N 440.460 0.670 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 511081901 LEBFPDWWUYOLNS-UHFFFAOYSA-N 427.526 0.910 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 513928465 UWGSGRPNZMOEDU-UHFFFAOYSA-N 445.505 0.381 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 514822220 OMRHCVGEPTUBMQ-ROUUACIJSA-N 445.483 0.829 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)C1=O 517081807 XKFBZSBIBZXNIN-UHFFFAOYSA-N 432.864 0.530 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 519907913 QCRSUTYJTWMFOL-IAGOWNOFSA-N 435.550 0.146 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(C)(=O)=O 536197325 IRBBGFHLALNKTB-AWEZNQCLSA-N 442.501 0.736 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 540547683 LTDGHMKHXBEUCV-IAGOWNOFSA-N 439.607 0.718 30 20 ICED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 542726528 CTNFAHSSIWFYKI-UHFFFAOYSA-N 448.460 0.998 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543003572 YMIYEUVRFRFFAT-CQSZACIVSA-N 442.451 0.917 30 20 ICED N#Cc1cccc(N2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)n1 544867343 YHILVXNSBSZYSW-GOSISDBHSA-N 446.467 0.532 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)c1 546002737 BLMPPHSTQAZBJH-UHFFFAOYSA-N 446.485 0.746 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCN1CCCCCC1 561354116 LDVQTNXUUMKUOY-INIZCTEOSA-N 435.550 0.333 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)cn2)CC1 573970717 LTWQNNUCLQBUHZ-UHFFFAOYSA-N 445.487 0.541 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C 608474604 XXOVVSIWPKDJJP-UHFFFAOYSA-N 426.498 0.971 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610810993 MVCPUQGAIBIKSF-CFZJUORYSA-N 433.490 0.062 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 611409203 JQNGIBWDPWHSLB-HOTGVXAUSA-N 425.580 0.471 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615104679 BPUKHDHFKCZPQF-KRWDZBQOSA-N 428.537 0.843 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 616591796 BALJFBNAWVEVRL-AWEZNQCLSA-N 429.520 0.077 30 20 ICED N#Cc1ccc(N2CCC[C@H](N3CCNC3=O)C2)nc1N1CCC[C@@H](N2CCNC2=O)C1 618151486 WHKYGKDEQRFZSH-ZWKOTPCHSA-N 438.536 0.941 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1C 679753293 MKSIEGBYFNQJPX-UHFFFAOYSA-N 425.510 0.975 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)C1=O 726043014 IUNASZCGYBMEAJ-UHFFFAOYSA-N 439.327 0.064 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1C 726201425 VPDSJLSUXRCHIC-IBGZPJMESA-N 437.522 0.481 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)CCC#N 729502488 KIOCBNITYSSNCQ-CYBMUJFWSA-N 425.463 0.430 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1 732795681 SCYRHJCPCAEXEN-UHFFFAOYSA-N 437.525 0.942 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(S(C)(=O)=O)n[nH]1 733360586 MLECVAVJZONUGN-NSHDSACASA-N 440.507 0.444 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCN(C)CC1 733975311 PLAHNLGJXYANRN-KRWDZBQOSA-N 449.577 0.564 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)C1=O 744919325 UPVZZGBTRQHSEH-LBPRGKRZSA-N 442.197 0.635 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)C1=O 746231825 QUMQTOFJKHAQLU-FQEVSTJZSA-N 447.496 0.997 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)NO)cc2)c1 746268864 PSEYYSZRUARDGX-UHFFFAOYSA-N 436.490 0.314 30 20 ICED CC(C)(C)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 750519045 MQGYKMPHEFRKAX-ZDUSSCGKSA-N 444.477 0.797 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH]c21 750703922 YQJBANRQOACWIC-UHFFFAOYSA-N 436.837 0.325 30 20 ICED C#CCN1CCN(C(=O)CN(CC(=O)N2CCN(CC#C)CC2)Cc2ccccc2)CC1 755318102 PNEOKUMFDWOOPM-UHFFFAOYSA-N 435.572 0.043 30 20 ICED C#CCCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 759056320 IADRKRMPYGCXGY-UHFFFAOYSA-N 437.518 0.964 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 759880946 YMTPXSBLEBDNBM-MRXNPFEDSA-N 426.498 0.890 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 767627037 KCKJINVVPHGKIC-CQSZACIVSA-N 426.454 0.956 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCC(C)(C)O)C1=O 774294663 FMBZKBHMIJRKHC-LQFHHUIYSA-N 442.563 0.431 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CN(S(C)(=O)=O)C1 779332916 ZMQCIMBIFRCOMZ-OAHLLOKOSA-N 442.563 0.147 30 20 ICED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784785209 RJHJNVPUJDOCAG-IQQDNESTSA-N 435.506 0.127 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2c(C)cnn2C)c1=O 795198226 UZVMAHBCOOVAKV-UHFFFAOYSA-N 449.458 0.641 30 20 ICED C#C[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccc(Cl)cc1F 805779565 ZSMKZQVFSIYOAX-HNNXBMFYSA-N 434.859 0.825 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CC1 812275872 DVDHPXHZLGPYHS-SNVBAGLBSA-N 437.472 0.570 30 20 ICED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)CC1 815490949 DZHVWQGWLFLDKH-QGZVFWFLSA-N 441.492 0.107 30 20 ICED Cc1ccc2c(c1)C(=O)N(CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)C2=O 816128390 HLKVJKUAQCBPEC-UHFFFAOYSA-N 428.382 0.876 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)ccc1F 914658974 WEDBOPUBCMZFFE-UHFFFAOYSA-N 442.465 0.858 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2CCOC)CC1 916199996 RMIHIEXAQDKJIW-UHFFFAOYSA-N 432.571 0.285 30 20 ICED N#Cc1ccc(OCCCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 920409438 FMIYJKBKXNESNR-SFHVURJKSA-N 427.548 0.462 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1245974066 SPNDNBHAZPGURL-MOPGFXCFSA-N 442.568 0.365 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1301830938 ATNIAYLBJNMQSM-GCJKJVERSA-N 440.504 0.985 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1301898308 DJFVQSQSPXEEOA-NQIIRXRSSA-N 426.477 0.309 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1303470801 VEFUHMDFZPWYPV-UHFFFAOYSA-N 431.522 0.471 30 20 ICED Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1318006477 ZGZNODPKBGEVNP-INIZCTEOSA-N 436.515 0.976 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 1360780801 LPZXXGSCJALASY-NRFANRHFSA-N 429.525 0.893 30 20 ICED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503374799 RPXKHFYEOIMNRZ-MRXNPFEDSA-N 440.483 0.655 30 20 ICED CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1540947256 GWESXRXPMKQFEU-LJQANCHMSA-N 442.568 0.851 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1554434096 OFFNBXVCCQOTGF-UHFFFAOYSA-N 431.522 0.328 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1611772519 XWQYLDZOWPDHGK-CABCVRRESA-N 441.579 0.745 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749084737 UPIJIEPFGLPSTC-LBPRGKRZSA-N 449.375 0.795 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1751096896 ZSEYNTLZPWIPDW-SIIHOXLZSA-N 426.543 0.510 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1778834000 KLTVZYVTBIEERO-QJKPHDSHSA-N 426.448 0.976 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1779323706 QEXLIFPCXLJOBQ-HTNYWEHUSA-N 427.505 0.570 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779342889 AUAPMWYSSJODJY-KSFYIVLOSA-N 432.521 0.942 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381390 ZZVFCTBAXYCSRR-GYMQQHCDSA-N 436.425 0.290 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1779423043 BERNSFJRQFHXKX-CFHAIPRRSA-N 447.492 0.839 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428811 QDKJZXPECTYWTO-HVUASRLOSA-N 438.525 0.554 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCN2CCOC2=O)C3)c1 1780180728 JSWTWVXIOVCDQZ-DYESRHJHSA-N 429.477 0.856 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1781367969 VPSOCOVIFVHZHQ-LPHXDWRPSA-N 431.514 0.938 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963397 GTEVBBNBLYSUJK-WIYYLYMNSA-N 432.452 0.292 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666195 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C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1785572041 IIJFBAJQKGDBCO-WZONZLPQSA-N 448.564 0.829 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)c1ccc(O)cc1 1786809468 AIMBIKDCCWCXEE-UMGGQSCQSA-N 441.532 0.352 30 20 ICED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccccn1 1786869731 SIYCJCWZHBBTTF-GFBRPLLMSA-N 428.537 0.533 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(Br)nn4c3)[C@H]2C1 1787148226 UNBJSCOXFJUZLU-IHRRRGAJSA-N 447.293 0.999 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc2c1OCCO2 1787363352 XOTZGNSXQAJVFI-ZVZYQTTQSA-N 428.441 0.448 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398736 WYWLITCJGYXDKZ-PEJOBZMASA-N 436.578 0.566 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1788637074 BFILBVSRFWRXRL-FHWLQOOXSA-N 442.516 0.534 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788678854 USWFHUOHUVDSAP-YAYBPQFFSA-N 445.394 0.784 30 20 ICED COC[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 1791259067 NGSCMZDCXWUUFL-GVRJEKJASA-N 445.582 0.824 30 20 ICED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)cc1 1792482221 VBVIRDCWNGBRIM-SRYPRDQNSA-N 426.517 0.780 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(C)n1 1794938010 MFQXQZKHDIJJET-FZKCQIBNSA-N 430.509 0.984 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cccc1C=O 1795750072 NILMTXIXMXCENF-IUNGQNJQSA-N 446.504 0.980 30 20 ICED CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1796632653 VCRDHGNYYGNLTE-IZZQQSIFSA-N 429.521 0.761 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1797675537 YXCXAZAUAJEQLQ-YYIAUSFCSA-N 449.504 0.739 30 20 ICED 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C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)CC1 1805954246 RXAMTBYTBLLHEO-SJORKVTESA-N 427.567 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810095147 ONROLAQTIVMJRQ-DFEOGRTESA-N 448.520 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]1c1cccnc1 1812645039 FQWWRLJJLHKAHZ-ZXOSZAFKSA-N 427.505 0.470 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cc(C)c(O)nc2=O)n[nH]1 1823365889 XDMWFNWBJCPAOY-GDBMZVCRSA-N 442.476 0.711 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824031177 SUFOXFFFQYNBJX-IAGOWNOFSA-N 437.537 0.833 30 20 ICED N#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828522557 DWNQROOSNVJEBI-NRFANRHFSA-N 430.461 0.053 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968457 RPGNYSGSKUZYJE-QMLAJETESA-N 449.596 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3CC)C2)C1 1829768710 FZBJGBSNYAATQH-QEVIJRNUSA-N 448.545 0.634 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C)C2)C1 1829769449 SNDOALFFGHSGDO-UFTUAFODSA-N 427.501 0.923 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831216305 JYEIYJPGYFMRBF-HSZRJFAPSA-N 442.516 0.157 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831811862 OPCCAJBLPZVJIE-XMHVBLFMSA-N 446.552 0.579 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1832527759 WIDXGSQKSUPOPI-QFIPXVFZSA-N 430.505 0.892 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832730014 SDUKMLBTIOBOOG-VGOFRKELSA-N 430.505 0.480 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833120331 VOTMWCWLFQFVFH-KRWDZBQOSA-N 446.596 0.366 30 20 ICED CC(=O)N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)(C)C 1833402746 CMAMFWLQOUFYKF-FQEVSTJZSA-N 434.537 0.197 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833647161 AAMOWGHSFRCSMT-AUSIDOKSSA-N 446.548 0.791 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833660319 VUPLFDZCTHVMKC-HTAPYJJXSA-N 432.521 0.809 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1F 1833671876 FSFFIVKUNJJRJC-UYYUJSNXSA-N 433.440 0.639 30 20 ICED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)CCC#N)CC4)CC3)CC2)CC1 1834607180 NWZREEJHXUZPFW-UHFFFAOYSA-N 430.597 0.642 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1835101566 HFOMTTYHOILOCQ-QHCPKHFHSA-N 438.484 0.550 30 20 ICED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835617150 SHVDABBIPJMDDX-QNZROTIXSA-N 440.541 0.360 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)C(=O)O 1836169788 ZUZXRBIPGNYMEU-SFHVURJKSA-N 430.509 0.134 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1836392105 CEFXTPQYKJJFBO-HSZRJFAPSA-N 436.468 0.606 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)cc1 1836397012 HFWSLWAVUOBMHO-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1837287545 SZRNLSCGRCQKSA-ZFXLNCEJSA-N 435.565 0.356 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837432791 OCTAOLMEOTYMJX-HXUWFJFHSA-N 438.601 0.162 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837433901 NFACEIPBKADRQS-QFIPXVFZSA-N 428.489 0.776 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443339 FQEFGWOXTMIZOS-MHRHTVJOSA-N 449.508 0.363 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531388 LJEXCVSGJKWMTF-MVASEBFSSA-N 436.465 0.582 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561622 YIQWQKLFGMNDPN-YUTJSNEMSA-N 433.440 0.639 30 20 ICED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C 1838734673 HILCGEYMKSGMAG-JOCHJYFZSA-N 439.472 0.982 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1838953404 VWGXIENKXBYUGV-PGRDOPGGSA-N 426.473 0.154 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100368 QCZAKJYAHPAQMR-LQWHRVPQSA-N 442.626 0.033 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108152 AIJCHLMCUXCDKI-JOCHJYFZSA-N 432.565 0.026 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c1Cl 1839194241 BFXAWDSFSXHOLS-HXUWFJFHSA-N 437.880 0.291 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839228207 VUXXKDLBCHCZSN-BTYIYWSLSA-N 435.477 0.969 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2)c1cccs1 1839721163 VMZYYRIZHCIIDT-YEFOHOTDSA-N 444.513 0.909 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840818542 IPOBHSROOKEFQK-HXUWFJFHSA-N 443.485 0.559 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818590 KPRGTBLTTVPXRA-WZONZLPQSA-N 441.484 0.432 30 20 ICED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818969 HTZBTVHMFSAXHN-JOCHJYFZSA-N 447.488 0.056 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874333 YUZBDYVRVMUDSY-UHFFFAOYSA-N 429.530 0.966 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1847080839 GSJXIKPTVKJJLU-JLTOFOAXSA-N 431.497 0.346 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1847802158 NDWLBQUHWHNTSX-GFEQUFNTSA-N 449.548 0.844 30 20 ICED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 30592545 IVBGOVBKZFSFRB-ZACQAIPSSA-N 435.550 0.857 30 20 ICED C=CCOC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)OC 435949298 LQMCXADVRRAPMT-ZHRRBRCNSA-N 427.457 0.988 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1=O 440269564 RDOUWEFIUHYSRU-OAHLLOKOSA-N 438.481 0.450 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 441919327 HNYLJQXKXCTUFW-CYBMUJFWSA-N 440.481 0.636 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCOC1 441924685 QMONAXMUKWHUOG-KRWDZBQOSA-N 427.526 0.520 30 20 ICED C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 444215678 BMPVMQBVUXRBSX-MRXNPFEDSA-N 435.502 0.435 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444773858 GJLKXUQEEOEASK-GFCCVEGCSA-N 430.896 0.585 30 20 ICED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)CC1 460610705 HCAMLKYIXHDQDR-SFHVURJKSA-N 436.520 0.624 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472187926 CZINHCHQNPTORR-UHFFFAOYSA-N 438.535 0.019 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 475498944 ZHIYBXANBKLXAD-MOPGFXCFSA-N 448.545 0.654 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 477718394 LDILYZQELADYLQ-HNNXBMFYSA-N 446.533 0.512 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OC)n2)c1=O 479401427 WQHDHWITWOZRPG-UHFFFAOYSA-N 428.514 0.545 30 20 ICED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H]1CCCN(CC#N)C1 479873035 NOBRGAJMBRIUQV-HOTGVXAUSA-N 436.534 0.866 30 20 ICED CCOC(=O)CN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505407243 BPTRXSUTJBJKGQ-GOSISDBHSA-N 441.488 0.861 30 20 ICED CN1CCN(C(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 511045114 JXQDGQWARVWVBA-UHFFFAOYSA-N 447.561 0.239 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)c1nnnn1-c1ccccc1 516820315 BZHJKVQPHYSXEP-CYBMUJFWSA-N 428.416 0.931 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 517439025 QCUDRJFRYTVXEV-KRWDZBQOSA-N 449.515 0.994 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNS(=O)(=O)Cc1ccon1 531174839 GORRYEQEVMXUQP-UHFFFAOYSA-N 431.478 0.374 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1C#N 535505661 LCQHJRCUEMOCDZ-AWEZNQCLSA-N 448.553 0.813 30 20 ICED COC(=O)C1(O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 539888282 LWNOGDVMISSTNQ-UHFFFAOYSA-N 443.460 0.455 30 20 ICED N#CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 542281436 DJRBDMDWCPUEDM-UHFFFAOYSA-N 434.543 0.907 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546203775 USTBUUJGGZZRHC-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 550943352 GOXGKCICQZNBKZ-UHFFFAOYSA-N 440.592 0.735 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 553424018 KAMZTHOFKWFAGJ-SFHVURJKSA-N 430.578 0.353 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCO1 559220674 WFGXSMFXCZXMGV-SJLPKXTDSA-N 426.477 0.716 30 20 ICED N#Cc1cccc(C2(NC(=O)C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)CC2)c1 567764654 NFVUNOUBTUNKIC-UHFFFAOYSA-N 435.488 1.296 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 572554678 CDWXODUSLQHWAV-OALUTQOASA-N 426.517 0.582 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 577032563 SXCMGBGBSCGZRK-INIZCTEOSA-N 427.442 0.226 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 581391640 PCYVKGXLYLJGBM-HFXUHXBXSA-N 440.500 0.966 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588871377 ZMUWQYYNIJRNAQ-SFHVURJKSA-N 438.488 0.396 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 588931936 NUGREUDGALWZCB-KRWDZBQOSA-N 442.563 0.250 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(Cl)c2)c1=O 604269750 AFPJOQXIQSEPTG-UHFFFAOYSA-N 444.944 0.777 30 20 ICED COc1ccc(C(=O)N2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1OC 609822607 NXBZZHBJUJUAAC-UHFFFAOYSA-N 427.461 0.690 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 610391752 NLNKSVMGZBWELY-UHFFFAOYSA-N 439.494 0.290 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccnn2C)c1=O 618433453 AXORYIUPJDZKNE-UHFFFAOYSA-N 439.472 0.257 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1=O 726185829 ZWCOYDHDJUHNBN-QGZVFWFLSA-N 444.467 0.536 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 734465431 JHQGIEFXCOLHQS-QGZVFWFLSA-N 442.497 0.651 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCCO)c1 737234472 ZEYNSENTGKOULN-OQKWZONESA-N 440.522 0.343 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)cc2)c1=O 742144133 WOHYJPUECDUREW-UHFFFAOYSA-N 443.525 0.064 30 20 ICED C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)OCC 742607532 RTFXKSADLAEDDO-UHFFFAOYSA-N 425.507 0.697 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1 758663328 SWFACNAQJPLXCA-XTDOFWJNSA-N 442.538 0.781 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768487012 TXMXKLLJVMBWRN-OBAOGOGRSA-N 431.478 0.865 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769651036 GECKPHMTIJXSCD-UHFFFAOYSA-N 427.407 0.347 30 20 ICED COC(=O)c1cn(CCOC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 774581992 XUVXYMRBQAVTRZ-CQSZACIVSA-N 449.489 0.761 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 783303387 LICCLPBDOVBGLY-UHFFFAOYSA-N 435.593 0.982 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 795816073 GCOQFHBWCJTPMJ-RBUKOAKNSA-N 444.513 0.115 30 20 ICED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 800009206 JDDVUFQFYJQKPY-HNNXBMFYSA-N 431.559 0.820 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 801698178 IEZPUTJWLPDREE-UHFFFAOYSA-N 446.366 0.732 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)c2ccc(OC)cc2)cc1 811832140 WVFWWYILAOVUHL-UHFFFAOYSA-N 430.438 0.720 30 20 ICED O=C(NCC#CCO)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 816537375 CLWLPSGIMXWUBR-GFCCVEGCSA-N 431.308 0.632 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 857749864 FITGJTBHIRPPDF-DOMZBBRYSA-N 428.894 0.554 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSc1ccc(C#N)cn1 913615424 WQHRZYWGRTUJAK-UHFFFAOYSA-N 449.514 0.361 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)N4CCN(C)CC4)CC3)CC2)o1 1293002893 SEFHPRVKIWTIKV-UHFFFAOYSA-N 429.525 0.583 30 20 ICED CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1294839435 TYHMLRKGLAIEJC-KBXCAEBGSA-N 425.559 0.935 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccsc2)C1 1302483777 KLHXWMJRWPSKQU-GJZGRUSLSA-N 438.535 0.450 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1315033005 NJPZILBAKVTPKL-UHFFFAOYSA-N 425.493 0.638 30 20 ICED C#CCNC(=O)c1cccc(-c2noc([C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n2)c1 1325464421 WPKOWBKRDPEDEH-CVEARBPZSA-N 428.470 0.603 30 20 ICED C#CCNC(=O)C1CCN(c2cc(N3CCC(C(=O)NCC#C)CC3)n3ncnc3n2)CC1 1327141753 WFVWHYBTPIDNPA-UHFFFAOYSA-N 448.531 0.056 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 1435381013 SDQBZSDFWPMBIP-UHFFFAOYSA-N 430.490 0.883 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1542755587 WWFMEDNUEIMNIN-GOSISDBHSA-N 445.545 0.846 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1552735546 VYBDYOZQEPMYJG-UHFFFAOYSA-N 446.533 0.830 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1555813910 VIFYQEQABFIHMV-PBHICJAKSA-N 438.489 0.019 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCSC[C@H]3c3nn[nH]n3)CC2)cc1 1556270433 SOZXVUGKTHWRTE-INIZCTEOSA-N 447.546 0.789 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1569500882 ABKLUHGJVORJJH-HIFRSBDPSA-N 433.511 0.912 30 20 ICED CCN(CCCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1615618817 TUJWADHZRMGNDH-UHFFFAOYSA-N 425.559 0.828 30 20 ICED CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618941450 PHKXRCARPYAUBL-RRFJBIMHSA-N 425.497 0.641 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2nc[nH]n2)CC1 1627899799 WEIKAORGZJYCMU-HNNXBMFYSA-N 431.522 0.751 30 20 ICED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 1656641663 UQNDRYDDPAMAEI-UHFFFAOYSA-N 425.470 0.433 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1690996129 VLQWBFRPCYAVHU-OAHLLOKOSA-N 446.533 0.803 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1692786427 OFGWVMBHRDMOOZ-UKRRQHHQSA-N 444.583 0.453 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1696478159 WAKCROBJVXDUCQ-GOSISDBHSA-N 430.534 0.772 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697728911 NUXCJYQJWCGJAN-RDTXWAMCSA-N 444.533 0.726 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1712875690 RPJGKXKSFVISOU-IBGZPJMESA-N 428.428 0.226 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1730761454 VLEQYEZIIINGBQ-OAHLLOKOSA-N 434.526 0.526 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CCO1 1750015539 NYFFMSSTEXKSFF-LJQANCHMSA-N 439.520 0.930 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778956931 FMIZMYRGTUPUND-LHSJRXKWSA-N 431.468 0.848 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779017288 JYKOARVKBBIWCB-VSIOZEBNSA-N 425.493 0.645 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)N3CCOCC3)C2)c1 1779416096 MGOVHUOVAKIYCJ-UEVCKROQSA-N 442.516 0.336 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1)C(F)(F)F 1779416913 DTYZTXXFZQRYRA-FHLIZLRMSA-N 435.443 0.269 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779547595 DGJWQAMVPMYYEE-MRXNPFEDSA-N 442.257 0.871 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779553508 JLOQSWANARZJOU-WOIUINJBSA-N 439.553 0.634 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779654206 GNGRMGKYHQMWSX-FZKQIMNGSA-N 428.411 0.921 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)N1CCN(C)CC1 1780599918 SPUJZTUDEIWFCA-MBSDFSHPSA-N 425.533 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1ccnn1)C2 1780741002 HKMWEQOTKVHXBS-CBGDNZLLSA-N 433.509 0.862 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780824651 QZZCACHKDXVNIE-DENIHFKCSA-N 438.488 0.743 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)ccc1F 1781302753 WUMKYVZFTLZFGV-QFIPXVFZSA-N 439.447 0.939 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197890 FZOUNFZOXWBBPR-UTKZUKDTSA-N 443.529 0.992 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783052713 GZERIGOKXHKYCP-GAJHUEQPSA-N 438.532 0.730 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2)C(F)(F)F 1783206532 MNUPSBITCMCIMR-SFHVURJKSA-N 439.394 0.893 30 20 ICED CN(C)[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1783566265 SCVZOVMKALGKEP-FPOVZHCZSA-N 433.892 0.861 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785228863 HOAQWBRAQKKQJR-KPZWWZAWSA-N 430.523 0.991 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccc(=O)n1O 1785632525 OARGDGVNCLCEGQ-RXYBXQHJSA-N 431.493 0.151 30 20 ICED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)c1ccccc1 1788707740 USFNTBYYSKCJLV-CDXCJDFSSA-N 439.556 0.886 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1CCC)C2 1792489470 YWCNRSMGEIHOGM-RHNHGDFNSA-N 430.505 0.997 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792938671 WSIMSBYTMCNWQI-VXZGMJFKSA-N 439.512 0.487 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436854 HZCKESQDAMFCKK-AJYBTWMASA-N 439.578 0.770 30 20 ICED COC1(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C1 1797727632 KCWOYKGXIPYFDM-MUJYYYPQSA-N 449.504 0.739 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1797783743 FHFGRDBKQJWXNV-UPHUGPLXSA-N 437.500 0.860 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815679 TXHAMQUQLCWBTC-LKQSAVLPSA-N 434.497 0.033 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799048128 IXOUZDULMRBOMG-HEFCWWFNSA-N 427.476 0.947 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c1 1800199656 FKTSVEMRDANXRX-YVWYUNDQSA-N 425.420 0.157 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](O)N3CCOCC3)C4)c2c1 1800876992 PILGUUKAMZDRDQ-CPBBTPEFSA-N 438.488 0.337 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1801595219 DJSXXLMWTDFMBL-FXEMHJIVSA-N 425.551 0.920 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CC1 1801966454 ZDNJPEHAMWKMLY-XEMDLRDOSA-N 449.552 0.432 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803452272 JIBSEHFJVKXVAX-RZUBCFFCSA-N 441.484 0.996 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)N1 1806635402 IYFYYEUQROGRPR-OKZBOYLBSA-N 426.521 0.838 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)sc2C1 1822630441 OBLQAZOLMBPYIT-YNEHKIRRSA-N 430.486 0.544 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318347 HCRAFLTVWOKEOY-PUFAJPFRSA-N 444.517 0.452 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064783 QEDFXSWEKUCKGC-GSHUGGBRSA-N 433.505 0.748 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830644300 COPMXDAFKYGJMP-WIYYLYMNSA-N 440.562 0.788 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830769625 WERWWDLJZDBOBA-ASPARNDVSA-N 432.521 0.639 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1831390995 CXBOWAJZFLRNOM-SPLOXXLWSA-N 434.468 0.535 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1831392754 OCSXRYJPFBIQMT-JPYJTQIMSA-N 440.500 0.751 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831694669 PNPCAWWPNSLOHY-QHCPKHFHSA-N 442.516 0.791 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)[nH]1 1831862958 CJOOCHCQWQBMQD-QFIPXVFZSA-N 439.472 0.739 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1832575966 QLHCQJGXTBXOIK-QHCPKHFHSA-N 427.501 0.893 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CN4CCN(C(C)=O)CC4)CC3)CC2)C1 1833049387 NJNDZAXHQUBNFC-UHFFFAOYSA-N 445.608 0.688 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833493331 JBPJVKMYZBSKFW-SFHVURJKSA-N 433.640 0.947 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833650153 DUNMWJNQXZAJFK-HSZRJFAPSA-N 435.484 0.751 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1833844632 VUCIRYAUYSGPGF-NRFANRHFSA-N 442.451 0.139 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1833852154 XDABHOODQCGNEC-XTSMJKTBSA-N 434.493 0.624 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903257 SKODHWLKBRXZCJ-IIBYNOLFSA-N 436.509 0.384 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100198 GFVLUWNXXRZAAI-CVDCTZTESA-N 437.500 0.422 30 20 ICED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835340962 KONBKILELFGCMA-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1835433608 XSNJSQUGRFUCKQ-HXUWFJFHSA-N 434.880 0.370 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836450807 GLHOFQCXUQILSJ-UZLBHIALSA-N 433.534 0.982 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1836871227 VIGZEFRCUQHSQW-INIZCTEOSA-N 433.505 0.501 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247933 IFYPEGWACSHWKN-RHVSLNNASA-N 435.521 0.260 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254687 MPOGYBUTZTZXSM-KTORJYKWSA-N 436.509 0.079 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793001 RXVZEKJORPFEIX-IBGZPJMESA-N 437.453 0.371 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838109536 XHGZQUDQBBPEJR-OAQYLSRUSA-N 426.429 0.944 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742105 RIFNQSQLUOTLHA-AOMKIAJQSA-N 439.472 0.819 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1C 1838834494 GRUQXUCGPCLEJX-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1CC)CCO2 1838835766 AEPCZGWHLCMWSM-RMUOZIPVSA-N 448.545 0.634 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1839176067 URBCRBLOZBJULF-ZDUIWUOISA-N 444.488 0.456 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1839176577 VZAQKHDBQYZMLJ-NWUWZPLHSA-N 436.530 0.827 30 20 ICED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839360884 DYTIVCDFPSCHTB-JOCHJYFZSA-N 443.504 0.094 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839646356 SKJZCRFQVALXQF-OTRAAIJSSA-N 425.485 0.534 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1)C(F)(F)F 1839892233 AOBNTKNAPVRNJL-SFHVURJKSA-N 430.427 0.928 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1)C(F)(F)F 1839894906 YLSWPNKSBWFMST-KRWDZBQOSA-N 430.383 0.430 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](S)C(C)C)C4)C3)(C1)C2 1840004681 KPVNPMDNUSQPOZ-VWNGAAMTSA-N 440.562 0.741 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)CCC1 1840812565 XMSNIGDSEFYCDA-JOCHJYFZSA-N 432.521 0.539 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840868486 XAJWHBTUIUBQGQ-OAQYLSRUSA-N 436.509 0.613 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896946 CNYMAUXXFOJCSX-AUUYWEPGSA-N 441.575 0.515 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840957682 NVUYMCLPILSLKW-QFIPXVFZSA-N 435.521 0.723 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1843406869 RMZGZDKBUVJFNW-ZBFHGGJFSA-N 432.546 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(=O)O)n(C(C)C)n1 1847262785 GOKHRARMZCEMGC-XFCCUVRLSA-N 429.477 0.836 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC)C(=O)O 1847939572 IKZVMMLFTXVJPB-FZKCQIBNSA-N 438.525 0.720 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC1 470809514 CTBBZNHMWQVYML-JBACZVJFSA-N 433.576 0.957 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 473108408 LTSDBPZTOJKEMB-UHFFFAOYSA-N 444.517 0.430 30 20 ICED CC[C@H](C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 474064332 ZWFLTTBGOZGXAV-OXJNMPFZSA-N 429.521 0.267 30 20 ICED Cc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1CCOCC1 479127659 HPEQWAZDIIOUSR-UHFFFAOYSA-N 425.492 0.422 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(N2CCOCC2)c1 480134113 FCMWBOLFYVCDTB-HNNXBMFYSA-N 429.502 0.773 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480794767 BNFVJQIIPNWDCU-ZDUSSCGKSA-N 428.536 0.155 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)n1 487177274 CZDSXQWNMZLWOS-UXHICEINSA-N 437.504 0.978 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508851287 YPSVLTKPXDSMJF-UHFFFAOYSA-N 448.491 0.034 30 20 ICED C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 511016954 QQEPVYDNSPAMIZ-GOSISDBHSA-N 447.605 0.959 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514752273 PEQAQPUVBFQDJY-LPHOPBHVSA-N 441.532 0.079 30 20 ICED C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N1CCS(=O)(=O)CC1 520234520 MFZNVFWHDZVPKH-AWEZNQCLSA-N 441.531 0.139 30 20 ICED C=CCCCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 523045268 HBMWPHNOGDEVGF-UHFFFAOYSA-N 438.550 0.994 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 523173360 POYBVSWNIIMHEW-UHFFFAOYSA-N 445.461 0.389 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O 524282123 QYCSDEUZFBLDCE-LBPRGKRZSA-N 439.584 0.639 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 527030545 LJKWCLDUFJEURO-LBPRGKRZSA-N 449.891 0.686 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c(F)c1 558398198 POEIQKDWLGJNEV-UHFFFAOYSA-N 431.449 0.632 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1 576198933 FLAVUJIXVCRHJV-ZIAGYGMSSA-N 443.547 0.466 30 20 ICED CCC[C@@]1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 583523175 OWWAWYPHGZKEIW-OAQYLSRUSA-N 434.562 0.876 30 20 ICED COC1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 588647065 VAWHYBBRGMZXFU-UHFFFAOYSA-N 443.460 0.767 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O 604269094 PTLWJJYPKWNTLR-UHFFFAOYSA-N 438.553 0.868 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 609086623 NYKKKCWGQZLCDK-UHFFFAOYSA-N 435.431 0.865 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)C[C@H](C)O1 610081862 MKYKGDHWMKPSIZ-KBPBESRZSA-N 446.526 0.358 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 612217942 NWTXCAPNJIFEJW-UHFFFAOYSA-N 427.486 0.754 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccccn2)c1=O 618433596 LDROVWHBGUMJAL-UHFFFAOYSA-N 436.468 0.918 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@@H](C)OC)C1=O 726403903 OOZMBGALBXUAQQ-ZJIOEOEOSA-N 442.563 0.695 30 20 ICED CCOc1ccccc1N1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732907796 DIHFHUJJQFUYFD-CABCVRRESA-N 433.486 0.404 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCN1C(=O)CNC1=O 733406699 QMAFAWZYERJMRK-CQSZACIVSA-N 436.490 0.769 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 734041327 WSSPGXNFJRYJKB-BUXKBTBVSA-N 434.474 0.039 30 20 ICED COc1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 734049623 RGKDJXYTRCJVPS-UHFFFAOYSA-N 445.457 0.047 30 20 ICED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746225471 PTTQSFHALHVNTJ-VHEBQXMUSA-N 435.525 0.914 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 746256612 SEEGDYHRFNAEDO-VEGAHXMMSA-N 437.500 0.853 30 20 ICED CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 749690797 JQURWZWDZNHGOW-UBJVEFMGSA-N 449.533 0.563 30 20 ICED N#Cc1ccccc1N1CCC(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 750044821 BKLUBEBIRAWCPP-UHFFFAOYSA-N 431.474 0.314 30 20 ICED CCC1(C)C/C(=C/c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C/c2cn(C)c(=O)n(C)c2=O)C1 751518675 YGDFCEWZSJUCQB-DJJIWSAGSA-N 440.500 0.728 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H](C#N)C1 755552945 PZRBMYSKWOZDML-IUODEOHRSA-N 426.437 0.476 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccccc1SCC#N 756748978 PILOWQMDSPGSBC-GFCCVEGCSA-N 437.503 0.884 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)cn1 758115826 IPFYZKPZYRKETA-MRXNPFEDSA-N 427.530 0.477 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3nnc(NC(C)=O)s3)cc2C1=O 759522892 YREYXZNSLLTWIK-UHFFFAOYSA-N 435.443 0.397 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 762008811 ZULVBUGXPWKPRZ-GOSISDBHSA-N 440.460 0.056 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 764295715 XYGJQOUDQAAOQU-FJGOLAJPSA-N 449.489 0.101 30 20 ICED CCOCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 767377306 MCRVPPVTUCUDKX-NSHDSACASA-N 429.520 0.935 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCC1 771076076 DBMUTZXOQYAJHK-UHFFFAOYSA-N 445.494 0.600 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 772572831 GZRQRPDKYJUSSF-KBXCAEBGSA-N 431.518 0.931 30 20 ICED C=C(C)COCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773630024 NVFFPCXUAJMRST-UHFFFAOYSA-N 449.551 0.683 30 20 ICED CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 780401779 KPKWTAIUHAIMQM-RELWKKBWSA-N 435.550 0.992 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784450206 TVLXRMVRTDRJFM-OQKWZONESA-N 435.506 0.827 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C1CC1 784918755 VHFNCKJMOYCAIA-HNNXBMFYSA-N 447.513 0.823 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 786214319 GGGPCGNUBICFNI-UHFFFAOYSA-N 436.472 0.270 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)c1 792414299 YDFFBYWOKNSLFM-HOEZRSETSA-N 434.518 0.933 30 20 ICED COC(=O)c1sccc1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 800764162 AFINZKINHDIVQX-UHFFFAOYSA-N 437.455 0.867 30 20 ICED COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 802626112 KQICWYQZVIBSPM-HDHZYAPQSA-N 440.522 0.342 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 813422508 FDFYLXPNPXMWTO-ZDUSSCGKSA-N 449.485 0.809 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc4c(c(C(=O)O)c3)OCCO4)CC2)c1 919724587 HEDDDXKAZHRLHU-UHFFFAOYSA-N 430.442 0.934 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1252841772 DQZFDANNNPLZPQ-CYBMUJFWSA-N 426.502 0.835 30 20 ICED N#Cc1ncn(CCNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)n1 1312662378 PETRINSROOHDLL-UHFFFAOYSA-N 438.536 0.820 30 20 ICED CN(CCNS(C)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1340800136 BUPOVVFZAWXCLJ-OAHLLOKOSA-N 437.566 0.837 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)c1 1505122128 PCWCHNJHQPJYPZ-BEFAXECRSA-N 433.490 0.229 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)C2=O)cc1 1626695003 MPOOXGHKHPSUIY-PMACEKPBSA-N 438.459 0.634 30 20 ICED COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1668037633 YXSBLUQYXBNFOS-AWEZNQCLSA-N 444.517 0.958 30 20 ICED CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1708310572 URMMMFMTMKJDID-HUUCEWRRSA-N 426.543 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cc1F 1723956178 QUDZGDXVPLEKLG-SMDDNHRTSA-N 426.449 0.944 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1749951326 PZLXLABABOIOML-KRWDZBQOSA-N 446.533 0.878 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1778882459 IWDZJOTZWZVCAD-XOBRGWDASA-N 427.465 0.025 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c(=O)[nH]c1C 1779102446 YJKSLCVILJUMOD-KMYGJPJSSA-N 447.492 0.359 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c1 1779306427 SFHZUXYBUBNZFI-AUSIDOKSSA-N 437.500 0.881 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779474127 VBCYJFVMUKKBPA-LPRVAIFDSA-N 435.550 0.427 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337935 NFKUSXUOGMPGOI-OAQYLSRUSA-N 434.493 0.400 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc4cccnc4cc3F)C2)C1 1781181494 SBUMZAJZRIKPHI-JOCHJYFZSA-N 425.416 0.834 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400853 YGUMGWQTAIUHDL-FQELHTAISA-N 448.524 0.088 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1781825160 QBNKFBUGGNCMEN-QRQCRPRQSA-N 432.473 0.891 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783199624 MBGINLJSKKIYAM-SFHVURJKSA-N 440.403 0.798 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)CCO2 1783566807 JQXLRYHOBXHWCE-HSZRJFAPSA-N 435.436 0.175 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1783769397 SIPWIGVWKBBCFG-IIBYNOLFSA-N 441.525 0.295 30 20 ICED Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327173 VQOTZEXZBHVSIH-QRTARXTBSA-N 434.460 0.768 30 20 ICED CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072313 BHHHOLNPOOQDQN-KKUMJFAQSA-N 437.493 0.357 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ccccc3[N+](=O)[O-])[C@H]2C1 1791193828 MQBSUINVTQAICS-DZKIICNBSA-N 447.469 0.755 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629717 NJPPBWHMVJTHOX-FSDCSDTHSA-N 448.520 0.704 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)NCCC#N)CC1 1796046036 YZSSISZIAZRTTM-REPLKXPHSA-N 432.569 0.071 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1796459524 WBHZJUKBKMSFLN-WMIGDMCZSA-N 428.489 0.393 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926399 RCROYTBJTIZESU-RCJHGTSTSA-N 442.520 0.517 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1797742210 KLJJXCGAKBRHMU-COHUGYILSA-N 426.477 0.898 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797898853 BARJGLRBBLHDKY-HEFCWWFNSA-N 440.479 0.757 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)c1 1799282909 RAZMGWSSCQCNTQ-MUJYYYPQSA-N 436.405 0.543 30 20 ICED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1800512039 NRUWPXLHTDNGHE-JLVBRIDZSA-N 449.305 0.660 30 20 ICED 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)OC)C1 1800963785 YSFZHSGFNWTJAN-OWBBKWLQSA-N 447.532 0.414 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1802040699 PEHGGUNTZZBZKE-WEMPKCCASA-N 442.516 0.831 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NC(=O)NCC)n[nH]1 1819348400 OWCYOLNDMIVSDR-NRXPATIISA-N 445.524 0.968 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819844248 SPKYQWRLWXHMCY-CYBMUJFWSA-N 429.506 0.440 30 20 ICED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1823664093 UNDHGRNHRYGMOT-RISCZKNCSA-N 444.492 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCNC(=S)NC)CC1 1828926142 AKRFGMDBORMMPU-JTHGQSKGSA-N 449.621 0.949 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830056468 AGYKDWGHMAEDTM-XXBNENTESA-N 426.517 0.707 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1830060879 VUCGWJXLWUULMH-YVHKJVDXSA-N 432.521 0.394 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831484717 BXQDTKRFIVRLIO-QFBILLFUSA-N 426.539 0.005 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)nn1 1831494172 YJRSGCMIOZXFQV-YLJYHZDGSA-N 438.550 0.900 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3C)CC2)CC1 1833073832 JKQMVZYMKYUULX-PLNGDYQASA-N 428.537 0.464 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cc(C)n(C)n3)CC2)CC1 1833366937 ZCDXVGRLBAGVOY-SFHVURJKSA-N 429.565 0.881 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833439373 PIUWFUPNGXWERO-CPOKCXMASA-N 437.541 0.223 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c(C4CC4)c3F)CC2)CC1 1834022646 BLLIJWPBYNTZOQ-UHFFFAOYSA-N 431.468 0.699 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834758157 HOYVIBZMBRTCGZ-GOSISDBHSA-N 437.378 0.956 30 20 ICED C=CCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116214 AFSSFMOSEVMYSC-UHFFFAOYSA-N 426.583 0.560 30 20 ICED Cc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672705 IJZXUTRRTGUCGU-NRFANRHFSA-N 433.509 0.643 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835675175 WBXXPAQRGZZPBR-OAQYLSRUSA-N 433.484 0.573 30 20 ICED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)no1 1835773906 QLPIIQYIZJIHJR-UHFFFAOYSA-N 441.532 0.698 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974433 FORBESPRDPADLM-BEFAXECRSA-N 441.916 0.794 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837240887 CKHMLFLRGBDFMB-VJZCTLPMSA-N 430.567 0.175 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c(Cl)c1 1837366347 SKQYHJJLCHSURB-FQEVSTJZSA-N 445.863 0.158 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837396683 KLGQDKRZEMKJSX-XXBNENTESA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837447711 RXXJFFGKVDTQDH-YCBLCKBMSA-N 436.553 0.731 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489732 SLXQISNNWSILFJ-JOCHJYFZSA-N 446.504 0.076 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524469 BPKMFTNLWSPDDQ-FAKCTINISA-N 439.509 0.587 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837561659 ZSEBEFULKXKKKX-OJJSKHJLSA-N 447.879 0.912 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837562375 JZUKIULTOMLPGT-WHEDMDOKSA-N 431.449 0.089 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562693 BZYXXBARXNSGPH-SVRLSDIQSA-N 433.490 0.629 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838031152 KUXUXOJGLSZORL-JLTOFOAXSA-N 431.518 0.860 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)c1ccc(O)cc1)CCO2 1839167117 LVNIHDFXMUHVRJ-PNCHPQGNSA-N 430.501 0.990 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839225093 XMMIFQFUADJTGY-KDOFPFPSSA-N 425.511 0.717 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839715278 OUYSJIZOEPKHFV-QHCPKHFHSA-N 444.532 0.347 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839875920 ZWWWHMYORMLIFM-HXOBKFHXSA-N 442.516 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)cncc3Cl)C2)C1 1840040704 UNJYTTGGBYBXOS-SFHVURJKSA-N 442.255 0.546 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164755 GBQVDORGQZZDLS-IIBYNOLFSA-N 435.546 0.500 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1840167957 YAQIEBQMZAWQJG-QFIPXVFZSA-N 428.489 0.914 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840173524 CIBOTBXUUFQVAD-QPPBQGQZSA-N 443.544 0.920 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343038 HGSOZBDDVOSOAD-CAAKBRFNSA-N 430.509 0.351 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1840404038 ZDKSKPSHCLUSKL-XMSQKQJNSA-N 446.552 0.491 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 16361742 SDHMZIUOOULUQS-IHRRRGAJSA-N 425.507 0.838 30 20 ICED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 432206140 FBWFODNUDFIRPD-INIZCTEOSA-N 442.563 0.355 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 433517494 QWRLGGIYCWDALK-UHFFFAOYSA-N 446.460 0.973 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)nn1CCC#N 437044914 RNYFTKFISODNEX-UHFFFAOYSA-N 436.469 0.620 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCO)CCOCC(F)(F)F 439977337 ZAFVYVKYLYQFMF-UHFFFAOYSA-N 440.382 0.786 30 20 ICED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446523189 SJXWKKHSGUGHFC-LJQANCHMSA-N 427.482 0.428 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 460604583 CYMXWDCWXZIFHJ-UHFFFAOYSA-N 443.467 1.087 30 20 ICED N#Cc1ccccc1N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 477021480 AUGNGJFBPQSZHV-UHFFFAOYSA-N 434.543 0.989 30 20 ICED COCCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480659192 CSIPUJSJAOUXCV-OAHLLOKOSA-N 436.534 0.616 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(C#N)cn1CCOC 481397635 IDGNFZJYZYYENG-UHFFFAOYSA-N 434.497 0.596 30 20 ICED COC(=O)[C@@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCC1 484473581 MVNBYNKSFHQDNJ-MRXNPFEDSA-N 448.545 0.807 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488249522 MHOHEXNFZMYVFV-LJQANCHMSA-N 426.521 0.511 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccnn3C)c2=O)c1 488983650 OVOZNGDWXGKMOD-CQSZACIVSA-N 436.493 0.750 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)nc1 489003861 BDXXHWYHDIVLEX-NVXWUHKLSA-N 425.510 0.901 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 495328745 WTLVHNIGYWVYTB-UHFFFAOYSA-N 449.533 0.770 30 20 ICED COC(=O)[C@]1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 502718753 SUQROYLPZUBTMB-FQEVSTJZSA-N 429.433 0.377 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CC1 505012342 DRBGNLFVMGASNA-UHFFFAOYSA-N 430.896 0.911 30 20 ICED N#CCC1(O)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 506376238 BBQPNRUXQSACQO-UHFFFAOYSA-N 432.458 0.062 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 508657864 UBPYXZONLZFZQS-MRXNPFEDSA-N 444.410 0.901 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(F)c3)c(=O)n2C)CC1 514331942 ATZRYLHWKPLWPO-UHFFFAOYSA-N 430.505 0.262 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)nc1 517337420 UCMZFOISEPHYQY-UHFFFAOYSA-N 446.467 0.890 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 521990558 OLOISKFQLGLIOK-QGZVFWFLSA-N 433.428 0.978 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 524281031 CDGYLSHTYYXCKY-UHFFFAOYSA-N 447.582 0.967 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1 541134595 YEFSBCJDWUACEV-UHFFFAOYSA-N 442.823 0.417 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)cc1 550201734 BQYCVVVIANRMLL-UHFFFAOYSA-N 435.532 0.879 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)c(Cl)c1 553906175 DQQVVXXJUDLCGB-HNNXBMFYSA-N 429.908 0.987 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3ccc(S(N)(=O)=O)cc3)CC1)CC2 555799055 IWMMDKODICZWPJ-UHFFFAOYSA-N 439.497 0.444 30 20 ICED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 564264024 JOXOTSIJOYDZAT-UHFFFAOYSA-N 426.525 0.424 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 566997337 ZTNQCDNCURDZPA-UHFFFAOYSA-N 436.468 0.695 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 569405217 XFVPKWSVVXXEAW-YPAWHYETSA-N 439.560 0.717 30 20 ICED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574500414 CVEGPIBEBXBYTP-ZWKOTPCHSA-N 434.518 0.769 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ncccc3c2=O)CC1 603561035 JOIICFBBXCZMLB-UHFFFAOYSA-N 438.469 0.196 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)cc1 610690357 ULDGQRAWPZNCNS-HNNXBMFYSA-N 428.518 0.791 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(=O)N(C)C 613326726 QRXNYPXROFIQMO-UHFFFAOYSA-N 446.960 0.989 30 20 ICED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 619857970 JGNWZDJPJFKGDB-QGZVFWFLSA-N 445.549 0.782 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1=O 726043898 VJYQOQXOIPAVHZ-ZDUSSCGKSA-N 445.428 0.025 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 726785773 OPJDZEOVQBHZCC-UHFFFAOYSA-N 444.517 0.845 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)CC1 728536053 GNWBXJKWOUSRMY-SFHVURJKSA-N 446.573 0.757 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cn1 732564351 LNQOYFHLWHEBJT-UHFFFAOYSA-N 434.525 0.546 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 756306875 DHNVWFWWJXRYAT-UHFFFAOYSA-N 430.429 0.381 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CCOC 757329389 HFDAZNYGMQRLFR-AWEZNQCLSA-N 446.551 0.223 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758076083 FDWIJUWIGYQBEY-OAHLLOKOSA-N 426.523 0.633 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 762544915 GKZRBBGVJWMYNX-WSRQSJKRSA-N 449.533 0.565 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1ccnn1C 765653191 WSPQVAANRCBEMG-CYBMUJFWSA-N 439.519 0.378 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1F 767881298 TVCCXVOEAJZAJX-UHFFFAOYSA-N 448.476 0.899 30 20 ICED CC(=O)Nc1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 769633298 JMISHOOANWLOIC-UHFFFAOYSA-N 430.442 0.977 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(-n3ccnc3C)nc2)n1 787484998 GSCUZLLMNVGZOT-UHFFFAOYSA-N 435.488 0.697 30 20 ICED N#Cc1c2c(cn(CN3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)c1=O)CCCC2 793486185 LMQIGTNRMYKGMW-UHFFFAOYSA-N 445.501 0.255 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)C1=O 801553254 QXOLPXXWGUEVHU-QHCPKHFHSA-N 447.499 0.964 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1C#N 803688725 ZXDQIFARZLCKFW-UHFFFAOYSA-N 435.532 0.948 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 805365148 QZEIWULTQFCWNJ-CQSZACIVSA-N 442.563 0.388 30 20 ICED COc1ccc(CNC(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N 809503374 AMWJIVCTMLGOOI-UHFFFAOYSA-N 444.513 0.928 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 810988261 FHAVRXARWBJCNH-UHFFFAOYSA-N 441.575 0.856 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 815557455 VIFFMGYCJNLZAH-UHFFFAOYSA-N 446.485 0.889 30 20 ICED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 915798165 LYXWWZPTJDYWIU-IBGZPJMESA-N 431.474 0.513 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCOc1ccc(F)cc1 919033978 HYRKSEZIMCLUCS-UHFFFAOYSA-N 435.433 0.714 30 20 ICED CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315163536 OGDBGVRMFWYJSM-GDBMZVCRSA-N 426.543 0.776 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1359474223 OVXJEAUVRFBMLR-VQHPVUNQSA-N 440.570 0.879 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1509697948 SOWXUXYTKJCMQM-KRWDZBQOSA-N 425.493 0.954 30 20 ICED CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554508543 YSAJVOJLFBYGHL-OAHLLOKOSA-N 447.569 0.403 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCOCC1 1706621924 IOHGZQPGYOLZAS-GOSISDBHSA-N 430.557 0.315 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1731189998 ZEHDMINFPOACLB-CYBMUJFWSA-N 448.471 0.989 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1750389396 ZLSWMUQUPLDUCJ-QGZVFWFLSA-N 449.508 0.676 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777963732 WPGNALQNBMRFAD-QFIPXVFZSA-N 430.505 0.862 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779428550 OCAKZGLHGKXVEZ-BSOUKZRHSA-N 448.524 0.711 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1784484532 WSYSORRKXMIKHB-USJZOSNVSA-N 439.468 0.453 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1785577020 KCZXLXGVHLNQKB-XOBRGWDASA-N 433.465 0.430 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1785578032 UJXJCLWDYSXNNL-SPLOXXLWSA-N 448.476 0.740 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612698 MTMAVUOPCJCCDA-MNVSYLFESA-N 445.582 0.799 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3scnc3C(F)(F)F)[C@H]2C1 1786267353 UQMAAWXREPCEMT-DCAQKATOSA-N 431.392 0.843 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786560465 YVIHYDJEOOHXFJ-MLCQCVOFSA-N 432.524 0.983 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n(C)n1 1786857247 HPBJKGPOKZKATN-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787224303 VIXHUAQLVKQRNQ-JONQDZQNSA-N 446.508 0.315 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788657578 AQDIIWAABWLRBD-FGEIPSIWSA-N 446.504 0.357 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)c1 1789511662 SSCGBZGKILWUNH-BZSNNMDCSA-N 437.456 0.726 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1790876913 MVRAWNWFTTYYEX-QEJZJMRPSA-N 427.408 0.982 30 20 ICED COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791077615 AKHBGLTZFBSYBM-BZSNNMDCSA-N 428.441 0.083 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1793319043 AXSWPRSXOCNBDY-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)C(=O)O 1795641696 VWWYBRTUJYPDEW-NYUBLWNDSA-N 428.489 0.143 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1796322733 YKRNPEABMBEYIB-IARIHHJXSA-N 433.896 0.862 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)c1cc(=O)n2[nH]cnc2n1 1798467914 FUWPEMVENZKWBE-MUJYYYPQSA-N 438.488 0.368 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1800544599 LQCAUWJJPLBHRW-LBELIVKGSA-N 430.477 0.590 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2)C(F)(F)F 1800551494 YSESKDSSFSOXLP-JJLQDPRZSA-N 430.383 0.421 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1801001964 PLTCEFXXKQBBNM-YVCBRDFCSA-N 429.473 0.306 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1802684079 TULWZHSLXWHBNF-QAPCUYQASA-N 435.488 0.891 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810391725 IPUUJXMSJPEWBJ-YPPIZSGTSA-N 432.502 0.844 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1812982711 QLBBTDWQKHRWJQ-BBWFWOEESA-N 448.520 0.868 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814713902 TZPMBGIEARDTOF-TZMCWYRMSA-N 435.481 0.629 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1817316326 BJNXYQLERYWGRP-ZIAGYGMSSA-N 444.496 0.282 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819550664 ZLINXUOENNTSDJ-TVRMLOFPSA-N 444.521 0.247 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831187249 IETGDNWRFVATQY-HXOBKFHXSA-N 442.516 0.737 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3SC)C2)C1 1831396543 NWECYHYLLBDPOO-KKSFZXQISA-N 433.530 0.912 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831396868 RZTKOPDTBCSAAI-HTAPYJJXSA-N 441.488 0.146 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1831427097 PDPGGCZKUNYFGO-HTAPYJJXSA-N 443.504 0.699 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831427273 SUHSOSUERNGRPD-WAIKUNEKSA-N 443.500 0.591 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1831457302 FZYWJKBFCUUWSC-UEXGIBASSA-N 442.578 0.892 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832767714 WJIOMVMTGSNKJA-MBSDFSHPSA-N 447.532 0.662 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832941019 PJQSALXLFRESGD-QHCPKHFHSA-N 444.532 0.497 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028040 IUUPOEVEKQWTIP-LHSJRXKWSA-N 432.477 0.025 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nc3F)CCO2)C1 1833262801 VZLBCVFLZDMZRJ-VBKZILBWSA-N 439.871 0.982 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834860912 ZQLJPJMESOSULY-QFIPXVFZSA-N 445.472 0.347 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099947 XUIKFGILJOANLI-QHCPKHFHSA-N 427.501 0.267 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)cc1 1835115145 JPQANQCPEKRILI-WMZHIEFXSA-N 440.500 0.226 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)cc1 1835302791 JPQANQCPEKRILI-XXBNENTESA-N 440.500 0.226 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1O 1835361120 ALMVDBSYFQQURZ-NRFANRHFSA-N 430.461 0.724 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835364764 DBRVLRIKFDVQRG-CVDCTZTESA-N 430.501 0.698 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835450980 IDASBPLPDOCNMC-KRWDZBQOSA-N 434.537 0.439 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1835672453 CGTFXJWRLQBMRS-JOCHJYFZSA-N 432.521 0.950 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)n1cnnn1 1835732698 XNLNWHCOEVIYHK-BDFKGGEMSA-N 445.572 0.277 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835804244 SHBTXNJGCOQLOF-VBKZILBWSA-N 438.550 0.677 30 20 ICED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835885473 FDOSAFCJCJEUCF-QHCPKHFHSA-N 435.565 0.530 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108825 BHWFSAFYIFVQGA-OXJNMPFZSA-N 434.518 0.063 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CSCC(=O)O)CC2)CC1 1836862813 ZWUPYMZZQWEDGD-OAHLLOKOSA-N 426.535 0.841 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836995118 YCCBEYGPOGZPMY-RBZFPXEDSA-N 435.502 0.406 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1837395220 TWWRRUPSKDEEDZ-AUSIDOKSSA-N 446.548 0.791 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441900 IMQKATLPCLJVLN-OKFCBPFISA-N 434.497 0.107 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cccn1 1837533442 UVECKHSYXNPTGJ-JYTGYTCASA-N 449.508 0.430 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967428 IGEVPCCGWBJYMD-UHFFFAOYSA-N 444.536 0.370 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(-n5cccn5)nc4)CCO3)C2)CC1 1838117881 QVSFXZJBPDWEEY-QFIPXVFZSA-N 436.472 0.641 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)o1 1840041253 AHFPYGAIJXPXDX-GOSISDBHSA-N 444.362 0.765 30 20 ICED COc1cccc2[nH]cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c12 1840044610 OBFABIFUYVONCT-JOCHJYFZSA-N 441.440 0.335 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624143 NJQWOAHTUXLVTO-NYHFZMIOSA-N 445.520 0.477 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847110532 KZKYANBEUXHXME-QGZVFWFLSA-N 443.504 0.729 30 20 ICED C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 25389575 KECKMDGVNKEIET-OAHLLOKOSA-N 441.513 0.991 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nc3ccc(F)cc3s2)c1=O 432721392 WHMYXIAOJVVWJX-UHFFFAOYSA-N 432.502 0.944 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H]([C@H]3CCOC3)C2)CC1 441667065 PXVPQGKNDKNFGG-OALUTQOASA-N 432.546 0.750 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 445767156 LHEFKFQTGMSOOB-MRXNPFEDSA-N 430.534 0.693 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(Br)cnn2C)c1=O 447261921 BLNPBZPJPVJBJN-NSHDSACASA-N 449.330 0.700 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cn1 460614553 NLNHXPINMRKBFN-QHCPKHFHSA-N 445.483 0.831 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460783043 CWVPLLRWFJMGCN-DLBZAZTESA-N 436.582 0.499 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 461743646 ADBWDVGIJHSNAE-UHFFFAOYSA-N 445.443 1.082 30 20 ICED C[C@@H](CO)N1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 469867101 SVTAKRLIRZMVSC-KRWDZBQOSA-N 442.520 0.843 30 20 ICED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472870477 LPVQVZMIBYBEER-UHFFFAOYSA-N 440.460 0.439 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479875087 PNZBDRGRWHKPIB-KRWDZBQOSA-N 449.577 0.799 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487163780 UTSLCQLAAYDWLM-JXFKEZNVSA-N 438.532 0.653 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 489041335 MPYSMXSODFZDRH-INIZCTEOSA-N 446.488 0.502 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)ccc21 508351611 XFPZFLKBKYMWEP-MAUKXSAKSA-N 444.513 0.854 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 509003169 VPEHENBVELKEFY-UHFFFAOYSA-N 436.524 0.753 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513294287 PFIHQVCUPUKLOE-GFCCVEGCSA-N 434.453 0.219 30 20 ICED CS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 514832782 QKDBKGLHQCHCIU-UHFFFAOYSA-N 448.526 0.645 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)c3ccccc3C2=O)cc1 519617963 XDCGJLDDDGNKBN-UHFFFAOYSA-N 426.454 0.639 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)CN3CCS(=O)(=O)CC3)c(C#N)c2N)cc1 531222638 YZMCBGBSIXBSCU-UHFFFAOYSA-N 430.534 0.414 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)C1=O 535095113 JVOJRZQPHWBTLU-ZWKOTPCHSA-N 433.553 0.759 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CS(C)(=O)=O)c3ccccc3)CC2)o1 537177774 VHDNZCITSWJDKR-SFHVURJKSA-N 431.518 0.879 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543923257 JIETZEKYUWZPNL-LBPRGKRZSA-N 436.881 0.486 30 20 ICED COc1cccc(N2CC[C@H](CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 552595326 UBSCDUCCTYOZJI-OAHLLOKOSA-N 439.520 0.906 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)cc1 557872774 QIHZISPHEHSSST-QGZVFWFLSA-N 448.526 0.447 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC4(C3)Oc3ccccc3O4)n2)cc1 564184754 NKTWMDBELHUPMX-UHFFFAOYSA-N 430.424 1.537 30 20 ICED COCCO[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581242487 NEHSTZJATZVSSQ-OALUTQOASA-N 428.489 0.429 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)nc1 587659799 ZQACUUNITHOLHW-VQTJNVASSA-N 440.548 0.798 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)CC1 588236911 YAPLZBLAYHMENN-SFHVURJKSA-N 442.539 0.631 30 20 ICED Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 588870733 QRQOCKAPXWOZMR-QUCCMNQESA-N 434.500 0.600 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604270059 OCYTXVDXVUWSSC-UHFFFAOYSA-N 440.569 0.836 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 729673054 CVKWNZHPSGNOMD-UHFFFAOYSA-N 427.429 1.000 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 731124179 JYPWQXJWPAFHAZ-UHFFFAOYSA-N 434.452 0.526 30 20 ICED CCCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909987 IMPQOYDCJYWSAW-WMZOPIPTSA-N 431.514 0.958 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(SC)cc1OC 741240024 UGAMZZDGPKTATC-UHFFFAOYSA-N 444.538 0.764 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 747994103 YHGLMKAFJFHXLV-UHFFFAOYSA-N 432.502 0.153 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 755544776 GASKCDXBPNWHAK-DZGCQCFKSA-N 433.465 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2Cl)c1=O 758051712 NLMRPNQWXBTQKM-UHFFFAOYSA-N 440.956 0.864 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(Cl)c(C)c3)c(=O)n2CC)CC1 760377073 ZORQUCNHUGOAQX-UHFFFAOYSA-N 445.976 0.954 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c1=O 765145269 OMNCWWVVZBEXKM-UHFFFAOYSA-N 440.568 0.753 30 20 ICED CNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 766261590 LFACCSOUJSYLPH-SFHVURJKSA-N 448.545 0.878 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OCc2ccccn2)c(=O)n(C)c1=O 771891245 KNNFBVGEILNDMN-UHFFFAOYSA-N 429.458 0.370 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn(CCOC)c2)c1=O 772332571 UERJEKKAHDXGLC-UHFFFAOYSA-N 436.468 0.911 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)[C@@H]1CCCO1 773786357 GPQQSALYXIBCMC-RYUDHWBXSA-N 437.474 0.194 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCCn2ncc(C#N)c2N)c1 782593471 JXEIEMKQSPBOIC-UHFFFAOYSA-N 448.505 0.341 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CC23CCOCC3)CC1 786436028 SCWPIGOOOIDPIY-QGZVFWFLSA-N 447.513 0.751 30 20 ICED COC(=O)NCCc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 788046455 GPCBPIINEAXPTK-CCEZHUSRSA-N 428.492 0.451 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1=O 799177923 YMBOLIIBYUPCQG-VGOFRKELSA-N 427.505 0.680 30 20 ICED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 806863804 RYWRLZOIBBKHMH-UHFFFAOYSA-N 431.474 0.673 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 811043155 WYFOJKZBBCVIHQ-STQMWFEESA-N 427.483 0.445 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 811831981 JKYICBORVQIBSP-UHFFFAOYSA-N 448.478 0.600 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815861143 SEOYITLEDGHPHI-NKFKGCMQSA-N 433.534 0.509 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCNC4=O)cc3)CC2)o1 915383958 BEGKJJOJBUJZHM-UHFFFAOYSA-N 438.444 0.890 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CC=C 917355879 PCQWAGWIAWGSHQ-UHFFFAOYSA-N 426.542 0.966 30 20 ICED C[C@H](OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1)C(=O)N(C)CCC#N 920653906 XCFHVUMFXXUYHX-SMDDNHRTSA-N 426.267 0.844 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1293113023 CJHDRGOXJLTGMU-KRWDZBQOSA-N 429.550 0.907 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1=O 1301885676 LUCNCRGGHDXZGE-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1360238509 PWGKWBKLCWYIRU-QFIPXVFZSA-N 439.520 0.766 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1505325439 SIKCEFXLZKXABJ-LJQANCHMSA-N 440.504 0.877 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(=O)(=O)CC 1516591266 ZZIAGJUUMOJUAP-UHFFFAOYSA-N 448.553 0.347 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1691003690 KMWYKFDWOODERJ-IAGOWNOFSA-N 439.586 0.693 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692666989 YYKLQOIKQGAPSZ-RBSFLKMASA-N 444.583 0.200 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1695960902 VQGKGABIMXTVTL-PXNSSMCTSA-N 446.533 0.486 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1697714819 JPZVDKOTANVXCU-UHFFFAOYSA-N 425.493 0.636 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC(=O)N1C 1743255669 VFJVQIRUWCAOMV-MRXNPFEDSA-N 437.504 0.733 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1767816259 RSHYWISUFBCLIB-WBVHZDCISA-N 439.476 0.800 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1771360583 LLZIXZSTBYRCCH-UHFFFAOYSA-N 446.533 0.440 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740070 QBAHFZNCDUPNQD-PQHGJFDPSA-N 442.476 0.702 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139550 XEQGNGMVRLDPTB-NCFUXCNKSA-N 427.417 0.330 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779960034 ARTBTMZGCBKTMA-OAQYLSRUSA-N 425.493 0.455 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780046606 HOXGLJULLDHIGG-AOMKIAJQSA-N 439.472 0.922 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)cc1 1781011053 BTPYHAXOGWVAFD-AUSIDOKSSA-N 438.532 0.720 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)c1 1781103413 BEWOYNWWXYGLNY-DYESRHJHSA-N 427.436 0.701 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1781269309 KIFYIUMCCXQOLL-JOCHJYFZSA-N 441.488 0.991 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1781271464 SRGXWRZYHCGTCX-JOCHJYFZSA-N 430.505 0.862 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2)C(F)(F)F 1781805554 LJVWPSKHDBTCDR-VQIMIIECSA-N 432.487 0.866 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1782192783 VTAMSVKYRLTNSP-QFIPXVFZSA-N 449.471 0.934 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782560614 KFDKAAJRPXJKBS-XXBNENTESA-N 445.564 0.735 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)CCC1 1783125175 LAXDYNDLRHWPFV-SPLOXXLWSA-N 426.477 0.397 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1783504481 RNDMKWYWDZDBQR-WBYLCXCBSA-N 448.520 0.612 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789256109 LUYUIGPYNAZNCR-SNRMKQJTSA-N 449.529 0.595 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)no1 1789344533 BCWFGIJUJHPWGA-MPGHIAIKSA-N 440.460 0.206 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(C)=O)[C@H]3C2)c(O)n1 1790844141 ZUZGFLBPHQKBLI-SNRMKQJTSA-N 430.505 0.635 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cc1 1793009648 VPUQOBMTWYPFKZ-GGXPGOJBSA-N 434.518 0.165 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793173172 CDPRENHBUZISAF-QKPAOTATSA-N 439.509 0.112 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1C)C2 1793340716 NVEVXAYWVINRHY-SSCXBUAASA-N 425.529 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1793344890 LNLMQPBILKRYCO-VWPFQQQWSA-N 445.428 0.565 30 20 ICED C#CCO[C@H](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 1793349926 RQRRNTAPTYWZPP-UYTYNIKBSA-N 437.537 0.918 30 20 ICED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)CC2)ncn1 1800980748 MLRPNWLWPYQAGB-JNNRSPCRSA-N 449.577 0.610 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)c(C#N)c1 1801262495 CZGURHRVHAFSIT-OPMZPASUSA-N 438.488 0.381 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1801884572 ODFWFHRELOKTHB-FZKCQIBNSA-N 431.489 0.970 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S)C(F)(F)F 1802106637 HQYHHFNMFZYWGO-DDFAGTSDSA-N 437.465 0.555 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802112499 RWUCJQPTRCICRJ-LWASTNQWSA-N 427.501 0.433 30 20 ICED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)cc1 1802229496 ZQHMYBOHKWFWFN-HGKCTWBKSA-N 429.473 0.991 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284567 PWHUYYRPOVMIFQ-MQKWGWFZSA-N 435.550 0.604 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1CC1)CC2 1819851835 OGLRYERSGBMZJV-GDBMZVCRSA-N 433.486 0.963 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036388 AQDZZXNYRHFGFT-ZWNOBZJWSA-N 444.517 0.831 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1823749438 PAMKGHIQVFFSGY-PWBPZBFBSA-N 430.549 0.991 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/C(=O)NCc1ccco1)CC2 1825666451 CDSSCUWJEUAYSB-BTDICHCPSA-N 442.453 0.609 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826037564 MCZHWTBIGWGVMQ-LLVKDONJSA-N 425.474 0.903 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)ccc1F 1828326306 MLXKJFCSWKPRCH-GFCCVEGCSA-N 430.465 0.977 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCN2C(=O)OCc1ccccc1 1829022629 QWLXIHPINSDMKB-JOCHJYFZSA-N 436.472 0.363 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830873295 OGJBANGTWVCKEG-DENIHFKCSA-N 441.488 0.521 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1831388735 WUDKRHKVYUHXBV-YYDVJCTNSA-N 444.532 0.486 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1831426514 MKBRGENHKPLTPW-PLMTUMEDSA-N 426.510 0.622 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834085409 YIUVPNVKAJTZLF-OAQYLSRUSA-N 432.477 0.364 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cs1 1834454442 GBILNBFLOVOARQ-FQEVSTJZSA-N 435.550 0.803 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn(C(F)F)c4=O)C3)C2)CC1 1835344805 VTJLXBPTXZEQGJ-HXUWFJFHSA-N 436.415 0.617 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763779 JLEFHIUYFIFFAC-QPPBQGQZSA-N 448.608 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846512 JQJWJAPRSNXVCO-SCLBCKFNSA-N 425.511 0.596 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447973 XIIYVZDXSCEHMX-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047023 DNRMLJMICCTQRJ-UHFFFAOYSA-N 432.521 0.730 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nc4sccn34)CCO2)C1 1837140642 BPMXNTGBXVMVFN-IERDGZPVSA-N 446.529 0.813 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1C[C@H]2C[C@H]2C1 1837284538 WWPVPTPEUIAALG-NCAYHCJHSA-N 437.540 0.835 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837374736 IPXVLYJJNDBNRD-SPYBWZPUSA-N 430.571 0.105 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837391830 WRSSMEIYMJNVPZ-YWZLYKJASA-N 438.912 0.773 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563360 XCQFEICQLZFQAM-OAOKJSIISA-N 434.493 0.022 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837646029 LHHVTGBLJWBMTG-JTSKRJEESA-N 438.488 0.556 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5nccc45)C3)C2)c1 1838740755 SIXSGWRPGFUIQI-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839164384 NSKYIMRRNUMMSB-JLTOFOAXSA-N 434.880 0.416 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839225664 PUZNSBIHOJDTML-IIBYNOLFSA-N 449.508 0.537 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363280 BDNHYFQDTBCJDY-JOCHJYFZSA-N 428.489 0.349 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2OCCC4)CCO3)c1 1839518422 WPTSHMRCXLMTLB-NRFANRHFSA-N 440.460 0.249 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)C(=O)CC4)CCO2)C1 1839527779 QODIAUUZQVPIKL-XDHUDOTRSA-N 440.496 0.924 30 20 ICED CCOC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043598 JBDRTCHZXGQLEB-JOCHJYFZSA-N 444.440 0.021 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814846 IWTCETCLGJLYKU-NRFANRHFSA-N 429.477 0.639 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841598272 ZXVQJALJICOZAK-KURKYZTESA-N 449.548 0.846 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066391 GBFNNRGNBJWNFX-KSZLIROESA-N 448.564 0.609 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC[C@H]1CCCO1 18759949 ZNTLPWNTOAEAOG-IVZQSRNASA-N 427.457 0.990 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 25856191 SWRBQNHATVKWHH-CABCVRRESA-N 447.517 0.108 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 29593842 LUDMWSAICLRBQG-UHFFFAOYSA-N 438.506 0.851 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccnc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)c2)C1=O 410115360 KXBDPVUCNTWXSN-RTBURBONSA-N 439.516 0.799 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cccnc1C#N 428378265 UGTVZNZJAFUYJB-MRXNPFEDSA-N 432.502 0.820 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 435946373 YGIFQFLZFHYVBE-JQHSSLGASA-N 440.518 0.288 30 20 ICED Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)NCC#N 440671869 LHLFPOWYWOIEGC-HZPDHXFCSA-N 425.532 0.979 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 446384807 BWFRKPNUWBWZMI-HNNXBMFYSA-N 430.461 0.371 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 464861831 FIQCCWQFTXDZJZ-AWEZNQCLSA-N 437.460 0.978 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)CC1 471171509 YQJMACMPMZZRDK-GOSISDBHSA-N 442.545 0.994 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 480929680 CSKBJYUTFSTTMG-UHFFFAOYSA-N 437.437 0.636 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNC(=O)C2CCC2)cc1 484132077 MZYCYBFGOIZTRJ-UHFFFAOYSA-N 436.534 0.854 30 20 ICED CN(C)c1ncc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 501523424 SYLMFUNXPUHQAI-UHFFFAOYSA-N 436.432 0.950 30 20 ICED C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CCCS(=O)(=O)NC 506896236 MSMNJVYHJNRPES-UHFFFAOYSA-N 432.499 0.895 30 20 ICED CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)ccc1C 508322402 PSHKACOLRVHITN-UHFFFAOYSA-N 433.494 0.244 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 508812636 WTZUAVGGXBXSPJ-GOSISDBHSA-N 426.525 0.979 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H](C)S1(=O)=O 509761266 URGNUTDHKZYMMW-HIFRSBDPSA-N 430.490 0.810 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2Br)c(=O)n1C 512790880 UGUMPCHVHARPGG-UHFFFAOYSA-N 436.331 0.783 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513322015 PCURFUHJARFKDY-UHFFFAOYSA-N 442.451 0.965 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCNS(C)(=O)=O 524749281 HMUULCQEMKYNQV-UHFFFAOYSA-N 448.526 0.042 30 20 ICED CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 545274346 VSENZTUEMXSDDQ-CYBMUJFWSA-N 433.494 0.802 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 573413106 SHRSPZPTWVBREY-MRXNPFEDSA-N 430.490 0.365 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 576641390 IESBYKAGKDMHPQ-UHFFFAOYSA-N 426.525 0.643 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)C1=O 588810514 WEYMXXCDXGXBTD-INIZCTEOSA-N 434.880 0.806 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](C)C#N 609524996 UCOSHLYDVRLAPF-QAPCUYQASA-N 436.534 0.738 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 682272738 NMRLKLZIEJCKKZ-IBGZPJMESA-N 429.521 0.064 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 725763967 CGZKURIGCSRDEM-MAUKXSAKSA-N 443.573 0.878 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)CC1 728536239 PLMRWZSJYSWIBZ-IBGZPJMESA-N 430.574 0.740 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 729281516 FKMDGAXJBOOGKJ-SBUREZEXSA-N 445.564 0.407 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729674173 DXRBOZIZCZKMGG-UHFFFAOYSA-N 434.539 0.691 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)CC3CCCC3)CC2)c1=O 730802438 WKPLFMITSKAWKW-UHFFFAOYSA-N 431.537 0.616 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)cc1 743942114 AWODEVQFMLKBIJ-VSGPLIKPSA-N 445.545 0.911 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 744032733 WKGSQMMLVYQBIT-BRXAQIOASA-N 439.424 0.658 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)o1 755029668 USLYBMXSSGIHIG-MRXNPFEDSA-N 441.444 0.923 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc2n(C)c1=O 757587474 JXFZHDFCRAQWQM-OCCSQVGLSA-N 428.449 0.121 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(F)cc2F)c1=O 758078134 IAZKQIJYYVZJLI-UHFFFAOYSA-N 431.464 0.867 30 20 ICED O=C1CN(c2ccc(-c3noc(C/N=C4/NS(=O)(=O)c5ccccc54)n3)cc2)CCN1 761735161 PPQZMRKSXCWZPR-UHFFFAOYSA-N 438.469 0.912 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)(C(N)=O)C1 763817701 BFGYRQQEXURFDI-UHFFFAOYSA-N 425.449 0.531 30 20 ICED CO[C@]1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCOC1 764451547 LEXKZUYETYTCFW-ODENVGOISA-N 438.506 0.360 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Cl)cc2Br)c(=O)n(C)c1=O 771889888 CAENSODLOHUNFZ-UHFFFAOYSA-N 435.687 0.812 30 20 ICED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Br 771892373 ZVPARARONZTIMW-UHFFFAOYSA-N 431.268 0.168 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCO1 773798263 PEIINQVIAAVLTK-LNMJFAINSA-N 449.529 0.720 30 20 ICED COc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)c1 781102290 HNCOHULBMGDFJL-QGZVFWFLSA-N 445.545 0.727 30 20 ICED C#CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 788300985 ZTOVOZUZXICKQR-WZONZLPQSA-N 448.564 0.829 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806124907 WHNGGGXAHPJCRI-ZDUSSCGKSA-N 442.437 0.577 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCCOC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 807001706 CNFLCCZOMOCIAU-MRXNPFEDSA-N 438.502 0.698 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOC 838289930 YJCCRBKLAXUPAD-UHFFFAOYSA-N 433.486 0.274 30 20 ICED CCN(C(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CCS(=O)(=O)C1 914819888 XUOHZAKEWKLFFH-MRXNPFEDSA-N 447.517 0.729 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NCCOC)CC2)cc1 919666246 IXRREQVWLXZBSZ-SFHVURJKSA-N 437.518 0.957 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286631102 YYLOLPTXAVWVIY-AWEZNQCLSA-N 442.973 0.333 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)no1 1318068083 DRVUQTISTQPPRV-KRWDZBQOSA-N 436.472 0.991 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[C@H](C)C(=O)N2CCC(C(=O)NCC#C)CC2)CC1 1325280183 VOBMGUQDTXCQEW-ROUUACIJSA-N 442.560 0.235 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1541988013 KQZJCXSPFKLYSH-JXFKEZNVSA-N 449.581 0.926 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1611711830 UGZIOWMHMRZCKW-JKSUJKDBSA-N 439.586 0.739 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1724011265 OUAFDBDQFCBZKT-VQTJNVASSA-N 430.534 0.944 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1=O 1729599458 WEBOJRKZTFLMOZ-UHFFFAOYSA-N 428.518 0.920 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1741924129 SXLMBDNHDHRHDY-LRDDRELGSA-N 448.546 0.155 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745201293 NVPNUJHMNJQYHO-RYQLBKOJSA-N 442.568 0.958 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1748076969 OUZORTNCNSSQNY-UHFFFAOYSA-N 439.520 0.884 30 20 ICED CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1766266796 HRFSRZKMDKZIAO-UTKZUKDTSA-N 431.541 0.633 30 20 ICED CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769340297 UPMAQNQJKFLAOQ-OAHLLOKOSA-N 442.549 0.582 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976585 LKLYOFZXNHBCRZ-KURUZVKSSA-N 425.493 0.645 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)OC)C2 1779331479 XUUWGISJLUJPBF-WHSLLNHNSA-N 442.578 0.980 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779423841 INBKHRXLIUFZEZ-NPARIDPTSA-N 434.497 0.321 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2I)C1 1779711021 TZYOFRAVDOGSEJ-MLGOLLRUSA-N 442.257 0.775 30 20 ICED O=C(/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1)c1cccs1 1780602411 ZURXMTCUTCZHDR-OPFGYUGZSA-N 447.557 0.724 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C[C@@H]21 1783530586 IVFBANJUNYKLTD-GOYFQBHRSA-N 438.528 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnsc3C3CC3)C[C@@H]21 1783530762 BJQHRIDLIIHVQH-FCLICNRPSA-N 445.545 0.867 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783665743 COSOXSVTQUAEQH-PGRDOPGGSA-N 442.553 0.459 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1783900625 JDFLJGGZVZQKNP-IFXJQAMLSA-N 431.555 0.676 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1784198649 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ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2CS(C)(=O)=O)C3)C1 1792437419 SLUDEBZKGUWQPU-HGKCTWBKSA-N 433.530 0.796 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558638 GSOCNNBYBMHGFS-CEQLMSFQSA-N 426.517 0.853 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1793351676 BQCLARFNBUHGBF-NFSXTHTRSA-N 433.549 0.960 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccnc1)C2 1796042534 ACFJDMDQMFFJKO-BCDXTJNWSA-N 426.521 0.731 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798492644 LYRDOMKLGZJAIF-OEIMDMHZSA-N 429.539 0.834 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800636356 UWUNSUKASDFOMP-RCLSDMTESA-N 430.501 0.689 30 20 ICED C[C@@H]1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN1C(=O)OC(C)(C)C 1800778600 JCDXHGPCOWTVLW-RUEZSYAVSA-N 449.504 0.310 30 20 ICED O=C(/C=C/c1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801446752 BHXZVVOCGRADKC-TWJLKSMYSA-N 429.477 0.608 30 20 ICED 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)CN)C2 1802139928 QKLRFUABORYAHF-KVWRPFDZSA-N 436.553 0.640 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1807151663 WSPJOJLEUSSWJC-YQVWRLOYSA-N 426.521 0.505 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1807194606 SUHFIRFLADYCBE-SVFBPWRDSA-N 434.500 0.866 30 20 ICED O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815768901 GCERLXLJKFIUHJ-VIRAGPHVSA-N 441.448 0.712 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819898024 GJRWZAOJQDLLGU-QCCQCXHASA-N 434.482 0.271 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824542149 SWOWWUZHRVZSLI-AZUAARDMSA-N 429.627 0.847 30 20 ICED Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825674427 CDCVGLLNQGZGGH-CQSZACIVSA-N 440.481 0.882 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829705586 HGRNHBAXAFJXLX-IBGZPJMESA-N 429.608 0.411 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902705 YZGQMVATEKWMIP-GCJKJVERSA-N 443.504 0.004 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)COC1 1830029944 NIOLRHAUONMUHH-FNEOHHHZSA-N 434.514 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1831392767 OFQBWODQPVRTSL-WJONJSRFSA-N 430.505 0.568 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1831405970 NUPFWHHOWJRWJT-JOCHJYFZSA-N 433.505 0.900 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831495720 JKLXKTCPFKHIMN-AZUAARDMSA-N 438.550 0.526 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833430197 VHWUVCARHFMWLG-HXUWFJFHSA-N 436.534 0.865 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985420 GIVMAJXHYAMTPN-UZWDYZERSA-N 432.477 0.681 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400714 WWSBWRWHDZLRIZ-INIZCTEOSA-N 426.521 0.685 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)c1 1834447759 RNORRXDIEITVCB-QFIPXVFZSA-N 439.472 0.684 30 20 ICED O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834872382 HALXKRSOSJOISV-HLQTZPMBSA-N 447.540 0.379 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096120 QKKUNKQNHZSGPX-HSZRJFAPSA-N 427.501 0.363 30 20 ICED N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835118635 CBWYMFXMLWBHNC-ONEGZZNKSA-N 446.577 0.542 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835245413 SKMRUEGMZGMKKP-QFIPXVFZSA-N 449.479 0.359 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1837401359 YOYXPKNDHPNSOP-PGRDOPGGSA-N 434.537 0.599 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837792916 NXOXUBOQSUGGMP-QGZVFWFLSA-N 425.467 0.307 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1838123970 PCQNQCBSUWLUEO-OAQYLSRUSA-N 433.509 0.589 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839225423 JKKYCPSPUCCICT-KKSFZXQISA-N 444.492 0.600 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839845150 FPHGUSVNDLRGJC-PERKRYKHSA-N 447.536 0.126 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccccc1 1839859675 YXDILIRSZWUSND-URXFXBBRSA-N 441.528 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1840043948 DKLHNGLITFAMJO-JOCHJYFZSA-N 440.456 0.040 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840162032 JPGWIYFCJDUUSF-JLTOFOAXSA-N 431.518 0.860 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1840174696 SLYPINYRKARBOY-OAQYLSRUSA-N 441.525 0.560 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840246199 LSHAZGXYAXWIJU-KERJRTOYSA-N 430.908 0.839 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840382578 MVCMEWIJYJTRCJ-JOCHJYFZSA-N 446.552 0.402 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCOCC1 1841504231 AXJYVLWVUYLQHX-UHFFFAOYSA-N 449.504 0.599 30 20 ICED CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3CCCC34CN(C(=O)CC#N)C4)c2C1 1843992334 GQJXGPLJTXWYQZ-UHFFFAOYSA-N 429.481 0.759 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302326 PGUOPNVEYCZARN-IMDIYXNQSA-N 443.504 0.932 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)C2 1845960622 WEYOAGIWPPHIQW-INIZCTEOSA-N 444.532 0.586 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1ccc(O)cc1 1846416346 ZRKDQYZPVPRUHX-DENIHFKCSA-N 441.528 0.743 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 19126676 JIXFSAQCMCIXRE-UHFFFAOYSA-N 435.285 0.921 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)C1=O 116308089 MMDCEUXSZOGJQZ-IYBDPMFKSA-N 428.489 0.889 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409536460 OHMAHLKFUIAASC-FXQLRMTLSA-N 434.588 0.149 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 409597729 SUCUHKGWWZSJAI-MRXNPFEDSA-N 435.616 0.840 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)c(=O)n2C 436163559 RFBFOAVHHWYTAN-UHFFFAOYSA-N 441.879 0.308 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C)C1=O 441009477 LBKRCHITNPWRLU-AWEZNQCLSA-N 426.452 1.537 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@H]1CCOC1 441943895 VLKXRPVAXNWMRI-OAHLLOKOSA-N 440.525 0.545 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 442060503 RVFBKFOIIAHORP-OAHLLOKOSA-N 425.493 0.690 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3C#N)CC2=O)cc1 461862019 UPYYUCFAMHMTCW-NVXWUHKLSA-N 434.518 0.821 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 465416630 KSHQDPLXKMUMEE-AWEZNQCLSA-N 434.460 0.554 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 469107020 TWOUNLCUYIJKHY-HOCLYGCPSA-N 440.547 0.252 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1[N+](=O)[O-] 471620919 ULKDMEAHQFSNAV-UHFFFAOYSA-N 428.430 0.867 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1=O 498509567 LSFIXBDSPFPWBG-AWEZNQCLSA-N 449.261 0.425 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)n1 501598357 PEOMVJVTIPUFCG-QGZVFWFLSA-N 426.521 0.219 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2CC)c1=O 512734550 SNGLICUZIGKLTF-UHFFFAOYSA-N 442.589 0.593 30 20 ICED Cc1ccc(NC(=O)CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1S(N)(=O)=O 513672200 PJVJTKGPWIWUJR-LHSJRXKWSA-N 439.497 0.926 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n(CCC#N)n1 533320478 ZGUKXPFSDXOLPE-UHFFFAOYSA-N 442.451 0.933 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 547962960 YNSRPJIYXMRMAK-HNNXBMFYSA-N 434.477 0.052 30 20 ICED CC(=O)NC[C@@H]1CCn2ncc(C(=O)[C@@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)c2C1 552048176 JPQBLXVZZINLIT-GDBMZVCRSA-N 445.487 1.004 30 20 ICED COc1c(F)cc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 552902928 SVQUMZUMWICHJC-CQSZACIVSA-N 434.449 0.971 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCCC(F)(F)F 560426221 JYRYCFGLEXOQIQ-UHFFFAOYSA-N 427.452 0.933 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 585701212 MUFGJTVIWJKVDH-WOJBJXKFSA-N 441.532 0.248 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(C)C 603988671 BPUGXISATNPYQO-UHFFFAOYSA-N 427.526 0.766 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 610425147 BSHBAECUCAWTEH-ZWKOTPCHSA-N 425.489 0.609 30 20 ICED CCc1c(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 611089804 YADDGDOBEZEGNK-UHFFFAOYSA-N 444.455 0.630 30 20 ICED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670214132 RIFSNVGVJZHYAL-UHFFFAOYSA-N 427.575 0.701 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1=O 726036484 KHVKPQPGOVUDTG-HNNXBMFYSA-N 428.445 0.244 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)NC(C)C)C1=O 726042836 MZVGALVDSXTBSV-UHFFFAOYSA-N 430.417 0.283 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729673092 DJYSSRDQOUPFQM-UHFFFAOYSA-N 437.518 0.123 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)NCc1ccccc1 732465624 IRAWZURJPSGZSB-QZQOTICOSA-N 440.504 0.156 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411643 NNZXXUYWUNTUIO-UHFFFAOYSA-N 439.519 0.586 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 740875348 VEBNPUADNDDLTO-INIZCTEOSA-N 443.547 0.080 30 20 ICED CC(C)N1C(=O)C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751400056 PMSMROVOTBSYPV-HNNXBMFYSA-N 434.518 0.938 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CCS(=O)(=O)CC2)C1=O 755563959 YLHNAJZKWJGXNF-QKDOTCOFSA-N 438.575 0.885 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758058474 LQYAJWXSTKURFH-OAHLLOKOSA-N 425.510 0.514 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 758058501 LWPIRRHYFYWDAH-UHFFFAOYSA-N 445.447 0.958 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934736 CTAAJTIEXHNDLO-XEKQOVJPSA-N 438.506 0.438 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 763819764 UGCBHRCRAIDYRE-UHFFFAOYSA-N 441.492 0.741 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 775795137 MFRGIJCSNWBOHT-MSOLQXFVSA-N 425.938 0.943 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 787778792 ROGPXLQSFLUVFQ-HOCLYGCPSA-N 446.508 0.622 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 789119640 RQLFWSYARCFHEX-KKSFZXQISA-N 440.456 0.822 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ncccc2O)c1 792413377 PALMMZMOGYDUHF-QJOMJCCJSA-N 431.474 0.855 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)ccc1F 799003416 PEGACHBYXDOXLI-HJWYETAXSA-N 440.522 0.969 30 20 ICED C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812165038 WPAZDOCGKIPAKY-CQSZACIVSA-N 442.501 0.867 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278308 FHFZSPMEFYRGAS-UHFFFAOYSA-N 431.468 0.776 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 839371452 WQCFQUADSXHCBM-UHFFFAOYSA-N 449.492 0.209 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1503695103 QEULFQVHMNVUHA-UHFFFAOYSA-N 439.520 0.884 30 20 ICED N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1521137302 NSDCUOHYCRPBNN-OAHLLOKOSA-N 426.568 0.338 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)CCO1 1620355707 XOKXTLZISLRAPN-AWEZNQCLSA-N 449.313 0.902 30 20 ICED CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743883184 QURMBMMLXRRDTC-WMZOPIPTSA-N 442.568 0.995 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1767784223 QPMCHHROAICBKS-VFNWGFHPSA-N 428.493 0.841 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054105 WULRURGEUDXZKG-HSZRJFAPSA-N 446.467 0.428 30 20 ICED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778758080 UGGAXUAXKIWFMP-YLJYHZDGSA-N 427.567 0.748 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccs1 1779016084 MAZLKAWWXGFUCE-VSIOZEBNSA-N 447.561 0.780 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779070851 CRDYJOMOQGHJKB-DENIHFKCSA-N 443.456 0.497 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779441304 MDPKWIMMWYUBQF-AAADOUPPSA-N 442.472 0.925 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1780172696 XIFNYNMDDNVIAW-NRFANRHFSA-N 427.457 0.964 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1780332252 QPLBJCPUEUFUOB-HXUWFJFHSA-N 443.485 0.442 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CCCS3(=O)=O)C2)c1 1781654871 PQLKZOIONZIBBL-MBOZVWFJSA-N 434.518 0.591 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CCO2)C1 1783195634 YIEDTDKUMWTZQO-PRXAMGSTSA-N 430.477 0.830 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567070 FJUGWCSQKIYSRL-QVKFZJNVSA-N 435.477 0.304 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CN(C)C)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784086932 QEORCKLVCYAGSQ-HTAPYJJXSA-N 436.553 0.944 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784485935 MESUNECVOCYHOV-JTSKRJEESA-N 429.521 0.961 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1785425028 XLENJGLADPLSNZ-HOIFWPIMSA-N 435.521 0.458 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786844707 NNJXAFJRWDHUPI-TTYHFUOFSA-N 438.532 0.747 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nc4ncccn34)[C@H]2C1 1787980749 SELDRPPAHBZYSP-XSLAGTTESA-N 425.489 0.669 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOC4=O)[C@H]3C2)cc1 1788133822 OATBRIBXNYDFLQ-UFYCRDLUSA-N 440.500 0.923 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1788661422 RHJQATOEAQXJAQ-BPBQNZBLSA-N 434.497 0.177 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789257469 HKAQILXSGHUVQI-FZDIXFNVSA-N 443.504 0.607 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c(C#N)c1 1789839572 IGYZQDXDLZPSEQ-QLIIJSOBSA-N 440.500 0.368 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccc(F)cc1 1791078929 LPGYMUZYIYOMIR-DBSRCYSRSA-N 445.447 0.071 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(=O)OC(C)C)C2 1793340965 WMXHKUSJIOWODY-BMFAXAFESA-N 443.500 0.888 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1CS(C)(=O)=O)C2 1793562517 JHDGKJYNQPLDSC-WCXIOVBPSA-N 433.530 0.916 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c(O)n1 1795889066 IDZNNDLZIAWRKH-CCWDJLKJSA-N 426.477 0.401 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c1Cl 1798590048 BXRQYTMUYIXAKX-IVWMJMPLSA-N 427.848 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)c1[N+](=O)[O-] 1799631605 OVLNATWBMDGNPK-LEDMXFKVSA-N 446.435 0.796 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)CCC1=O 1799745151 WDJQLQZKHITELJ-HBCWATKFSA-N 427.436 0.509 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800633430 XJIDARMNHNSNQX-YRPNKDGESA-N 428.533 0.461 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)cc1C#N 1801847559 RLMYOORQZZHAMP-BMQTXXJKSA-N 440.500 0.827 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2noc(C)n2)[C@H]1c1cccnc1 1802478792 VJUZXAUGSPAWKS-JZXMRFPWSA-N 438.488 0.880 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1802479754 BFQCOTUSMUTDHY-RRXZQZRWSA-N 443.504 0.009 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2cnccn2)[C@H]1c1cccnc1 1803296004 FQMDCJUKWOFADR-YUVPUZHMSA-N 434.500 0.979 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1803552882 IVCHHUVJZKNHNV-SUMDDJOVSA-N 431.562 0.610 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1803608055 LMWWYEPEQYRYFM-OIISXLGYSA-N 436.534 0.585 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804170242 HCXXBINCQNPNHI-HDMKZQKVSA-N 431.518 0.605 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)[C@H](O)N4CCOCC4)CC3)C2)cc1 1804943665 VCJQIBOUZOROFE-QHCPKHFHSA-N 440.544 0.983 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1807145631 OQJPFPDATBQKSF-LNLFQRSKSA-N 426.521 0.648 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807744025 YDUAAOBFIAENED-YWZLYKJASA-N 441.513 0.966 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948255 AYMODTMNXGTVBH-DHSIGJKJSA-N 436.476 0.739 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1808439494 SCCKIRMJVRKATG-XLIONFOSSA-N 426.477 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1808440673 NJVMRENXJSIPGN-ABSDTBQOSA-N 445.520 0.190 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1808731152 PCSFPMXWWMMFRY-UWVAXJGDSA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1811192668 GGOGERJCAWZSBV-LNGTVFGOSA-N 435.484 0.893 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829828801 RYYBLHKXFZICSL-RXVVDRJESA-N 436.461 0.279 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1830046042 BTNGSECVXYZYMI-JOCHJYFZSA-N 443.504 0.094 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831195860 IAIBSJGJCHGKPV-LAUBAEHRSA-N 425.526 0.340 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)cc1 1831754028 CCFVVYZZJARQPL-FQEVSTJZSA-N 427.486 0.988 30 20 ICED COc1ncccc1CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833825968 MGQKDLFRSHYINH-UHFFFAOYSA-N 442.516 0.682 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834174658 RZISAHAONCDCQY-DTKOAWRHSA-N 435.481 0.019 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111162 AGJGDORHABXWCR-XJKSGUPXSA-N 446.577 0.664 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835297396 JFLIICIGLNVYKM-AUSIDOKSSA-N 444.532 0.458 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCNC(=O)C4)CC3)CC2)c1 1836170616 IETUEINJGPPSDP-MRXNPFEDSA-N 426.521 0.598 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4ccncc4=O)CC3)CC2)c1 1836171146 DWODWFRTGSBQKM-UHFFFAOYSA-N 437.504 0.328 30 20 ICED Cc1nnc(CCC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)s1 1837174441 HEJIYUQBEHEOBC-UHFFFAOYSA-N 434.518 0.866 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837399342 QVGCKOLRMDLNNH-BAANAVDVSA-N 433.505 0.728 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1837399660 YTXLGRPIESIDFD-FYRLBUEESA-N 435.565 0.356 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837493813 YFCULKDDXUTMDN-QFIPXVFZSA-N 433.480 0.922 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1838325010 YEBYNLGKKDRTOV-FQEVSTJZSA-N 427.417 0.090 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1838579300 IVRYNDVSZYDUEH-JOCHJYFZSA-N 427.457 0.616 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838737347 QAGHCEYIUNSSPD-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838839732 ACCNOASPEPLSNB-OPAMFIHVSA-N 447.488 0.207 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cc3)CCO2)C1 1838961550 QDZVJGNFFXNMQU-WZONZLPQSA-N 429.517 0.861 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CCO2)C1 1839080788 KFHGDYSCAGIKTG-CROMWVBPSA-N 449.548 0.435 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)c1ccccc1 1839194684 KEANCGWXCPDMBO-XUZZJYLKSA-N 444.528 0.649 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(Cl)c1 1839872313 GKUZHQLBXAGPNT-YCRPNKLZSA-N 446.891 0.418 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839888103 ZYSGVPOMZZIJHR-LJQANCHMSA-N 425.432 0.516 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1)C(F)(F)F 1839890944 CRWAQJMWQDRRAZ-HNNXBMFYSA-N 435.428 0.768 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1840162542 ZTGCQTBQSAPEMH-DGCWBMGLSA-N 449.529 0.794 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201745 GYHUJYJGEXSYMN-XJKSGUPXSA-N 441.472 0.076 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360639 KJNJWFWNUIYGKQ-UQASEVPWSA-N 436.578 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc(C)s1)CCO2 1840397437 ANWQKYWRJXIERC-OLEQZPESSA-N 448.545 0.309 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447907 MAMDQHXJCWZKDL-OAQYLSRUSA-N 442.451 0.449 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483299 CLIZRRJXKYMSGH-KKSFZXQISA-N 434.493 0.465 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccccc1=O 1840814673 VFJCCZQATBIILF-VGOFRKELSA-N 428.489 0.560 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)N(C(=O)OC(C)(C)C)C1 1842910883 XIMXKXUOFKSYQN-INIZCTEOSA-N 446.552 0.595 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCn1cncn1)C2 1847073905 NQYHSPQTDYBIBH-MRXNPFEDSA-N 430.509 0.788 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213621 FLJCECCLVLJNKN-WYCVMMEMSA-N 442.520 0.666 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 26190997 JDDRSDFAFRLHQS-KSZLIROESA-N 441.598 0.689 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 409516360 WWKMNNCACAPCSE-UHFFFAOYSA-N 439.538 0.358 30 20 ICED N#CCCn1ncc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1ccccc1 429715394 IIGKWFKZWHPWJZ-INIZCTEOSA-N 429.502 0.887 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C4(CCCCC4)C3)CC2)o1 438558134 NVZVGGFQAVBFCK-UHFFFAOYSA-N 435.550 0.937 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 441777954 NBWFFBFKJQOPSU-GOSISDBHSA-N 438.488 0.860 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C(=O)NCC[C@H]3C)nnc12 443042827 ZDDIZEDCOAOCAK-MLGOLLRUSA-N 426.502 0.963 30 20 ICED Cc1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1CC(N)=O 444404084 KSWUBGVHQIZWNY-MRXNPFEDSA-N 431.497 0.712 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 460688930 YEEMZPRFVVTBMA-OAHLLOKOSA-N 436.453 1.031 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 465401457 HGVQQPQPHQKKCQ-GFCCVEGCSA-N 446.464 0.567 30 20 ICED CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)n1 472152443 GRWYBKVVZKPIKD-UHFFFAOYSA-N 431.522 0.923 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 472401978 AGWPIJBISCBXIG-QZTJIDSGSA-N 428.489 0.759 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486596444 BJMPGGQIONSZSC-GOSISDBHSA-N 448.526 0.546 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N(CCC#N)CCN1CCOCC1)C(F)(F)F 486950706 VXKNFBQVTAHBAU-ZDUSSCGKSA-N 429.465 0.066 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 489001158 HXGPRQXNWPAMEZ-CYBMUJFWSA-N 428.466 0.893 30 20 ICED CCC1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 491300636 KIMNMYURKQXXRA-UHFFFAOYSA-N 434.562 0.876 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCO2)n1 494435626 NOJNCZXLFDERIT-SFHVURJKSA-N 449.475 0.273 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 508220126 DUFPSRZXCCZHTM-INIZCTEOSA-N 427.548 0.096 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 509010982 JANMFIGDZSRNBQ-UHFFFAOYSA-N 444.561 0.657 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 509563733 KOOJUQOREKQMRJ-UHFFFAOYSA-N 434.518 0.058 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c2ccccc2)c1=O 512762563 TUSUBBBFRLSTHB-HNNXBMFYSA-N 437.525 0.770 30 20 ICED Cc1ccc(NC(=O)CN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1S(N)(=O)=O 513672202 PJVJTKGPWIWUJR-SPLOXXLWSA-N 439.497 0.926 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1 517860679 VFZOUJCADFTYLF-DLBZAZTESA-N 431.514 0.964 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519675545 YNEYQRJJXNGNMI-KRWDZBQOSA-N 447.561 0.382 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 521311831 LSHUSDFYKBKUTG-MRXNPFEDSA-N 434.518 0.475 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1S(N)(=O)=O 523035956 KBPFCXAWSQYEIO-GOSISDBHSA-N 441.513 0.818 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 530960709 ZVFATPDLOLSZKX-UHFFFAOYSA-N 431.514 0.521 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2)c1N 531605668 FGYOMNALWWABNF-LJQANCHMSA-N 445.483 0.659 30 20 ICED COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nn1 545518221 PSLWQFMVRQLUJK-WBVHZDCISA-N 443.533 0.782 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](C)O)cc1 557746885 PSFDYTKVMGWEHX-JXFKEZNVSA-N 443.529 0.638 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4snc(C)c4C#N)CC3)CC2)o1 579650175 XXXPUPXMTNWIIM-UHFFFAOYSA-N 440.533 0.962 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765557 SJHNZKNVZAIAPY-RBUKOAKNSA-N 432.484 0.565 30 20 ICED CC(=O)N1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603893204 XEDYWFJNNPGLAC-UHFFFAOYSA-N 447.561 0.239 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270440 ZNSXFBDMFBNUOS-UHFFFAOYSA-N 426.542 0.643 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 610594709 ZOENGIHBELPLRR-QVKFZJNVSA-N 425.493 0.942 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 615315326 LENFPOFAGHPQKH-SFHVURJKSA-N 445.520 0.045 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)c1C#N 616004179 AYLCWBIWPHFYQB-INIZCTEOSA-N 426.481 0.263 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O 726042257 HHAQUPXMVRGCLI-UHFFFAOYSA-N 428.401 0.037 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 727948060 SPQMFQVKRNPSLO-UHFFFAOYSA-N 436.468 0.619 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1 729178791 UCSNNDAWCRXFKM-UHFFFAOYSA-N 433.468 0.747 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795698 TZKMPXBYIJJYPI-UHFFFAOYSA-N 447.586 0.412 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1=O 757158374 VMLDNZOHDVCBRP-HNNXBMFYSA-N 433.472 0.582 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2Cl)c1=O 758039365 CJYLCNQBYXOGBW-UHFFFAOYSA-N 433.892 0.991 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nc(O)c3ccc(C(F)(F)F)cc3n2)CC1 761022629 BIDFIPYMGJFQTB-UHFFFAOYSA-N 429.424 0.939 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N(C)C 766974675 GIJJREKSBSMKCT-UHFFFAOYSA-N 429.501 0.997 30 20 ICED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 777896694 CNBOFRFBQMBXCU-NSHDSACASA-N 431.448 0.584 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCCS(=O)(=O)N(C)C 782557464 FVEZNYFUESKSCM-FQEVSTJZSA-N 435.502 0.976 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)c1cc[nH]n1 789946787 PAONFQVVXLFPJR-UHFFFAOYSA-N 442.476 0.476 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 789958805 DZVJWBRCGALATQ-IENXAOORSA-N 442.563 0.557 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ccc(C#N)nc3)CC1)C2=O 791052217 SJOSZTZRGSIELM-UHFFFAOYSA-N 425.493 0.607 30 20 ICED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 802466367 XKNFNCGLMHDNSL-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808036406 CZHSJRWMKRUFGP-AEFFLSMTSA-N 442.520 0.975 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 810458118 NYSVLEJPSFFNBV-LBPRGKRZSA-N 449.393 0.995 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccc(F)c2)C1 811042798 ZREMZTUDCXPKEA-DOMZBBRYSA-N 426.470 0.979 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC 814250398 PAVFZIPSMKTHFL-UHFFFAOYSA-N 439.488 0.437 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1C 838630834 PAJFUAJUPHJELG-UHFFFAOYSA-N 449.536 0.611 30 20 ICED CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 915386962 ZYDPRJJCYXRCQE-OAHLLOKOSA-N 433.465 0.915 30 20 ICED N#C[C@H](C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917014107 SVRDSZSKLFTMDA-RHSMWYFYSA-N 434.474 0.777 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(CC(N)=O)CC2)c1 918431778 SYVGQLQUIPLWOH-NKFKGCMQSA-N 449.533 0.552 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCSCC1 1288825998 OGHGKQKQDNTMQF-CJNGLKHVSA-N 431.563 0.379 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1297687397 UACKCELTZXJUQZ-FQEVSTJZSA-N 449.533 0.751 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1299287597 UOIJOCFUCKYGSV-SFHVURJKSA-N 441.492 0.606 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CCO1 1316540798 OFYIAIRRUXHREK-MJBXVCDLSA-N 429.593 0.758 30 20 ICED 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20 ICED CCOCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533435 UFRDDYKGYKLLOG-JJTSJLALSA-N 427.498 0.398 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838737161 LHZWYNUBMAKLLR-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108917 UGRXMCZRAQCGHE-SIKLNZKXSA-N 434.581 0.435 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131639 PKIWLNNNQWEHAH-GAJHUEQPSA-N 445.516 0.848 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc4ncccc34)C2)C1 1840040279 TVEDPVBDAJNUCK-QHCPKHFHSA-N 437.452 0.322 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840083721 VFPUAGVQJYKQIW-KNXBSLHKSA-N 448.520 0.756 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1)c1ccc(O)cc1 1840221362 OHWOQXXHAZCZCU-AUSIDOKSSA-N 428.485 0.935 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716316 HQQDARUHFWFQRT-QZMQVMSPSA-N 442.516 0.908 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1840716693 PZVNJUROWHISHO-AOMKIAJQSA-N 428.489 0.649 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818471 DUMNQGPDLKAYFP-JWNTYJGQSA-N 445.516 0.800 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880322 JFWMDVYXKJNDQD-WYAMSBGYSA-N 443.456 0.577 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956770 PUFSPFXYMWMYBT-IFXJQAMLSA-N 443.566 0.818 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n(C)c1=O 31401435 KRPDNGGJIVUIDA-UHFFFAOYSA-N 439.451 0.183 30 20 ICED CC(C)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 111055428 UYWRUSPJEHINIW-UHFFFAOYSA-N 433.578 0.854 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 409520850 MHKNTTHXXDCFLP-LJQANCHMSA-N 426.539 0.765 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 410173515 YGPLRRCSSQVIBJ-HXUWFJFHSA-N 442.564 0.727 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432729464 MHVDTHMEJYZMCQ-UHFFFAOYSA-N 432.864 0.473 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 435207798 NPSHYZMWQFZAPC-QGZVFWFLSA-N 434.518 0.567 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 437051991 PYOIAIYSLDRLSS-OXJNMPFZSA-N 431.489 0.960 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(COC)c2)c1=O 440379963 IQKHYCKJAFYLMV-UHFFFAOYSA-N 427.526 0.898 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)CC2)c1C#N 448268465 UCQLDYWKMTVIFM-OAHLLOKOSA-N 440.508 0.515 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 464822235 LFQFOTGIAPCSLM-QGZVFWFLSA-N 435.536 0.915 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 476056970 XEWGRDXBQGLKRV-SFHVURJKSA-N 445.545 0.956 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(COC)o3)c2=O)cn1 480946734 DLDOKBJOBSRHHN-UHFFFAOYSA-N 441.513 0.882 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccs3)C2=O)cc1 487149931 IWELIXVUGDCDQP-INIZCTEOSA-N 447.542 0.998 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 489022279 WVUQXSLDVHMDKE-RDJZCZTQSA-N 442.541 0.804 30 20 ICED CN(CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(=O)(=O)c1cccnc1 489238739 WTOWONIQYOAFPM-GOSISDBHSA-N 427.486 0.491 30 20 ICED N#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 490035486 CRKJDJBRHWFHTH-UHFFFAOYSA-N 448.545 0.920 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)n2)cc1 490861145 VUKGRVOGKDZVPR-UHFFFAOYSA-N 449.475 0.038 30 20 ICED CN(CC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 513513788 OIMYSMHYEUHSRQ-UHFFFAOYSA-N 440.547 0.252 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C 517149945 XYJPWIZUAPYYIG-SFHVURJKSA-N 433.553 0.688 30 20 ICED C[C@]1(CNS(=O)(=O)c2cncc(C#N)c2)CCN(S(=O)(=O)c2cncc(C#N)c2)C1 518843145 XKXYEFVZPLSJPX-GOSISDBHSA-N 446.514 0.599 30 20 ICED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CCOCC1 519038914 RQDICRFRKYANFA-CQSZACIVSA-N 426.433 0.409 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)c1 524282911 RYJNVMHHEUHLAN-UHFFFAOYSA-N 437.452 0.929 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 533379580 UBSQWQYGTWYRBB-OAQYLSRUSA-N 433.578 0.699 30 20 ICED COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(OC)c1OC 535168704 SYWCNISKGHLDSN-CQSZACIVSA-N 429.433 0.647 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 545466242 DLWQRWYXLQMQOQ-CYBMUJFWSA-N 449.407 0.646 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 557731058 JNFJJTALJLKJHG-UHFFFAOYSA-N 434.562 0.676 30 20 ICED CCNC(=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 567784614 PIHOLSFLMCTQNV-KRWDZBQOSA-N 425.489 0.592 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654988 WMKNRYOJUUDWGD-WMZOPIPTSA-N 426.521 0.801 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589161440 VBRXKKSNMTVJJG-UHFFFAOYSA-N 447.582 0.804 30 20 ICED CS(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)c1ccccc1 589408834 CNQGBKCZWNPJLG-INIZCTEOSA-N 438.469 0.980 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCOC)cc1 605248509 OVMHCVJZJZMUFX-KRWDZBQOSA-N 438.550 0.659 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 609359109 ONPRNYKKDXSNNB-UHFFFAOYSA-N 443.508 0.336 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)s1 610784069 QQFYOYPOGMGEPI-UHFFFAOYSA-N 446.554 0.194 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)c1C 611189297 OTBVWCPSDQKHKI-UHFFFAOYSA-N 444.517 0.793 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(=O)N(C)C)c1=O 671654146 ACALVHTYMIMQHY-UHFFFAOYSA-N 435.509 0.426 30 20 ICED CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726402475 RKUVIVJQAZVBQN-MRXNPFEDSA-N 431.518 0.912 30 20 ICED O=C([C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 729369073 RLVPRCMCRXTFTO-MRXNPFEDSA-N 434.518 0.355 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 729888876 MUIHYWZZOXPUNM-AWEZNQCLSA-N 442.925 0.997 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 732156518 PEWBEJVHIAHLCR-DPHDRGAJSA-N 426.429 0.453 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 735858173 XGWUMNHEVRMLGU-QURGRASLSA-N 425.489 0.364 30 20 ICED NS(=O)(=O)[C@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 743324908 PCUJJJITRKPJGE-AWEZNQCLSA-N 442.563 0.565 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3scnc3C)c2=O)cn1 743726764 UJZNZUDULQKFIH-UHFFFAOYSA-N 428.543 0.908 30 20 ICED Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cnc2n(C)c1=O 743734648 WMVHGNAMHBUHDC-UHFFFAOYSA-N 434.456 0.717 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c(OC)c1 746372664 RSGHGWWYQQYBLK-UHFFFAOYSA-N 426.433 0.347 30 20 ICED Cn1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 749580880 ZRSZDMXZGSJEJK-VOTSOKGWSA-N 443.485 0.381 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O 751644785 MNJYDEBUEOHZEV-RDBSUJKOSA-N 437.499 0.304 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1F 763436848 NRLJNVMEUVUCIO-UHFFFAOYSA-N 444.463 0.781 30 20 ICED CC(=NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 769809597 YGGGEPXPFWNLGN-UHFFFAOYSA-N 430.494 0.499 30 20 ICED Cc1c[nH]cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 772262529 QLNIQEVXWKQLLE-UHFFFAOYSA-N 444.469 0.245 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 774228976 ZMCIFKWKZOVRNN-LBPRGKRZSA-N 440.478 0.208 30 20 ICED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782131017 QLMKQIRZIBFFTI-UHFFFAOYSA-N 436.472 0.604 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@@H]1CCS(=O)(=O)C1 783481179 OJEKXNCJWCBMHO-GOSISDBHSA-N 441.509 0.792 30 20 ICED C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785064026 BOASUDWGZDGVCE-ANHGDRCLSA-N 428.536 0.321 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)c1 787124272 MUBHPROMANEWOD-IBGZPJMESA-N 426.521 0.361 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c3ccsc3)c2=O)cn1 790436598 CTIJMOHLIUUICX-ZDUSSCGKSA-N 443.554 0.831 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 794641969 ZTAQGIZBMPSQJW-GFCCVEGCSA-N 428.495 0.901 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3ccc(Br)cc32)c(=O)n(C)c1=O 800814150 JTUUGPRRPNRTAI-UHFFFAOYSA-N 427.280 0.475 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)c1 807545795 LKQNZWSNOPREAD-OVEYAIEOSA-N 435.506 0.162 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229130 GKWSFDSFWRWGIU-HNNXBMFYSA-N 437.525 0.346 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 906486008 PAOJLAXOFCDVPG-HXUWFJFHSA-N 447.496 0.136 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCOC 916200585 HUFMSJUTYOIBMR-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCOCCCNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 917120596 HAUXLQWPQMUJRO-UHFFFAOYSA-N 436.534 0.507 30 20 ICED CC(C)CO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919286989 FJLIYQDXLGEJSP-MRXNPFEDSA-N 437.518 0.995 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1300882575 ILHKJFTVZIVVLC-UHFFFAOYSA-N 440.504 0.653 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359143285 XJWXWZZUVHAGBA-YPMHNXCESA-N 431.950 0.681 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1359652949 YJVGNEYAYRHSQT-OLMNPRSZSA-N 444.533 0.460 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)c1 1519512706 SRBAESXLRYSYBN-JKSUJKDBSA-N 433.490 0.493 30 20 ICED CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1615846008 STDKTCOYIMXHKW-UTKZUKDTSA-N 432.548 0.868 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1618469459 WVRZRLNWKFWFBJ-UZLBHIALSA-N 446.533 0.144 30 20 ICED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1628651181 OPHDPFONFUNIOY-QFBILLFUSA-N 432.546 0.184 30 20 ICED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1695922921 YLIGUCYJDYOGMR-FZKQIMNGSA-N 441.533 0.637 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1711363276 MTAAKALSMLRHOY-QGZVFWFLSA-N 426.477 0.309 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1711415788 ZRNVFRKOGXAOES-UHFFFAOYSA-N 440.508 0.668 30 20 ICED COC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)OC 1712150281 PFCHKTUPUZBRJV-HZPDHXFCSA-N 435.506 0.739 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1723615990 CUTVUVOUZFIHQE-IRXDYDNUSA-N 449.581 0.560 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1771348533 WUJZQKYGTLSOCB-KRWDZBQOSA-N 428.518 0.966 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586462 FXBWKJRBWMUFLA-GCKMJXCFSA-N 428.493 0.843 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1778885806 MKVVHHHMUZGAGH-REWPJTCUSA-N 432.565 0.749 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)N1C[C@H]2C[C@H]2C1 1779102296 GUCJXVFELZZIEB-AKVQWWJHSA-N 434.537 0.686 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)no1 1779125020 VZJPDFTYNZMJNK-QHCPKHFHSA-N 436.468 0.594 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207688 WDFUHUHYPVOWDN-UGJQDOKGSA-N 431.489 0.873 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2O)C1 1779614200 JAPQDMDKBUUMKR-RAUXZBOGSA-N 428.489 0.773 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c1 1781151853 LIVKUIOQUDMKQE-XFGYDDDFSA-N 426.517 0.717 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(=O)C(F)(F)F)C2)c1 1782236347 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CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378515 HKQLCWCTUBXNBA-IIBYNOLFSA-N 429.477 0.214 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1785383117 KLLJOTKGFXCAKR-NQIIRXRSSA-N 447.513 0.344 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncn(C)n4)[C@H]3C2)c(O)n1 1785873603 DTTRMMHXLSZUDE-WBAXXEDZSA-N 440.504 0.941 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1Cl 1786842501 DWTATAZKQCASNM-XIRDDKMYSA-N 444.923 0.645 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1789891102 BWTOEWUKIQUWHK-VJANTYMQSA-N 445.516 0.898 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791350966 ITYRZDVNVSGYRO-CAIZAGQASA-N 440.500 0.443 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1cncn1 1791610641 IIVOGPXBZKFYMR-LEPLBXMDSA-N 434.497 0.348 30 20 ICED Cn1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)cn1 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CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905426 FKHDIRPUEUENKX-HSZRJFAPSA-N 442.516 0.935 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)c1 1838905861 CVCQLCSMNOZUEB-OAQYLSRUSA-N 439.428 0.143 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839174254 OZYRWUVGFQNNJL-NRFANRHFSA-N 448.476 0.065 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn(C)cc4c3)CCO2)C1 1839504130 MEDKZEFUNUYJFO-GAJHUEQPSA-N 440.500 0.682 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049895 QVWFEPYNWPYEIE-UWEDUSKQSA-N 431.489 0.722 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840158748 QBYXLXZWKDXCRV-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840295144 YYHUCYNJQZNSFH-NRFANRHFSA-N 432.477 0.211 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345604 XTZNMOJKSGRHTK-UGKGYDQZSA-N 434.537 0.938 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)cc4)C3)C2)CCC1 1840811321 IGRAWIQJKLCZMF-QFIPXVFZSA-N 429.473 0.921 30 20 ICED COc1ccc(Cn2cc(CC(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cn2)cc1 1841995619 LCNOLBWOHAHTIB-UHFFFAOYSA-N 436.468 0.774 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)cc1 10452093 RVIRHGOXOWPNLK-UHFFFAOYSA-N 440.481 0.817 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 62644188 XJHMPRJYUVPKHV-UHFFFAOYSA-N 429.521 0.457 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 410117887 JTGAAQQVZJYHGX-ROUUACIJSA-N 425.489 0.782 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 410161584 LDWGMLRJNMSJAQ-UONOGXRCSA-N 426.461 0.968 30 20 ICED N#Cc1ncccc1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 428257856 BZUVHHUXZSVEPW-HNNXBMFYSA-N 429.506 0.527 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)C2 430335634 XCDWKIUYCRWEPZ-UHFFFAOYSA-N 448.487 0.566 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 438063683 RGRDKVREGIGESA-FJIDUMEYSA-N 430.571 0.649 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 440609684 FFSGNGOGQALZTR-UHFFFAOYSA-N 448.545 0.776 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 444796602 BBGPVGBUDIYQSN-KRWDZBQOSA-N 431.541 0.853 30 20 ICED N#CCCCn1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c2ccccc21 444823164 CUTWUISNXCKSGU-WOJBJXKFSA-N 430.530 0.861 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 447015212 FLZUJAUJONDEAR-CQSZACIVSA-N 426.520 0.758 30 20 ICED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460708162 HRPQPLMFVUDYLB-DLBZAZTESA-N 438.488 1.164 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 473544524 CCLHAFUHRIGIAB-UHFFFAOYSA-N 425.507 0.845 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 474670064 FQZOHOZGIMWXPV-UHFFFAOYSA-N 432.506 0.888 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCOC1 478857236 OMJMCMRVKFVOED-MRXNPFEDSA-N 443.573 0.999 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CCOCCn2cc(C(=O)OC)cc(C#N)c2=O)c1 479222476 USAWDUUOLYVAMP-UHFFFAOYSA-N 426.385 0.043 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2Br)c1=O 489197356 QZPPNZYHJWTFBJ-UHFFFAOYSA-N 436.331 0.958 30 20 ICED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490278799 YQNLPWYZJYVURT-DLBZAZTESA-N 438.575 0.836 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 491036959 PPIRVWSZKCJGLL-UHFFFAOYSA-N 429.521 0.518 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1S(=O)(=O)NCC#N 497469804 WBZSGQDYOBUASA-IEBWSBKVSA-N 433.578 0.895 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccccc1 514517074 MBIBTHIBSBKHEE-UHFFFAOYSA-N 433.489 0.994 30 20 ICED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 518231688 LRBJCQROFRXBKT-CQSZACIVSA-N 449.475 0.185 30 20 ICED Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1S(=O)(=O)NCC#N 521278501 JUJLYCPPBXYYCB-UHFFFAOYSA-N 442.545 0.874 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 522537062 SMHKSSRBHYJYRM-UHFFFAOYSA-N 445.504 0.518 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 523477949 SHQHCGFPQLDITQ-UHFFFAOYSA-N 427.526 0.617 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 530653642 JHTNBOSMZQINPU-UHFFFAOYSA-N 444.538 0.241 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 542292894 RFENBJCWKJTKFA-QGZVFWFLSA-N 444.488 0.619 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 546708638 GVZDSLHBVJHDIB-UHFFFAOYSA-N 433.446 0.168 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 556365579 YSWAYPYULWTXTJ-MOPGFXCFSA-N 447.499 0.351 30 20 ICED CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 557372236 ZWRSQHAEWCCYIT-FUHWJXTLSA-N 426.521 0.801 30 20 ICED Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC(=O)NCC#N)cc1 561394676 DBZITYNLBRQVPN-IBGZPJMESA-N 426.498 0.867 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)o1 563647671 BMLWRXFJYAHURY-GFCCVEGCSA-N 445.500 0.417 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 565744923 BEUZEWLIGIFDOX-UHFFFAOYSA-N 441.455 1.342 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 580743508 FRGRGPJUKLACAF-UHFFFAOYSA-N 441.513 0.787 30 20 ICED CC(C)C(=O)N1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587654465 OJOGMNZWWNOYBL-UHFFFAOYSA-N 426.521 0.755 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1CC(C)(C)O 587659509 PZOBNNHRDVVETI-MRXNPFEDSA-N 428.537 0.342 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 589300705 RYSWKNIYVRORII-UHFFFAOYSA-N 440.485 0.922 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 589653480 KSXQCRQEHJXMDF-UHFFFAOYSA-N 446.504 0.173 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cc1 609564049 WLENSPNVLBNFKC-UHFFFAOYSA-N 442.566 0.036 30 20 ICED N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 611626460 HXHDTBLFTBGNGS-WBVHZDCISA-N 430.442 0.907 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@H](C)OC)C1=O 726403901 OOZMBGALBXUAQQ-VPBKRQHPSA-N 442.563 0.695 30 20 ICED N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(N)=O)cc1 726575625 MGVDHEZXSPHVKR-UHFFFAOYSA-N 439.460 0.605 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1sccc1C(N)=O 729382228 SXAAMFWTAADWMF-SNVBAGLBSA-N 436.471 0.567 30 20 ICED CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 731895304 NYRXHWBHYRAHJZ-QJOMJCCJSA-N 437.522 0.470 30 20 ICED COc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)c(OC)c1 732155027 XHCQOVSKBNJODZ-IUXHBZJFSA-N 428.445 0.699 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732797473 PPUHVWPRVZYUTN-UHFFFAOYSA-N 444.561 0.195 30 20 ICED C[C@H](CC(=O)NC(C)(C)c1noc(CN(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742611626 CYFKANBFBSZFSC-GFCCVEGCSA-N 434.522 1.000 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 743726287 LNQZPAPUMYDWBS-UHFFFAOYSA-N 426.479 0.534 30 20 ICED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 748980613 ARUBMARBAGKWCP-JZRFMTABSA-N 435.506 0.175 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 755544785 GASKCDXBPNWHAK-ZFWWWQNUSA-N 433.465 0.921 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(Cn3ccc(C)c(C#N)c3=O)CC2)c1 758178773 QATLEGGWXPQOET-UHFFFAOYSA-N 436.515 0.841 30 20 ICED COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(F)cc1 759926468 KKQCLFVQKHZWJA-MRXNPFEDSA-N 449.460 0.991 30 20 ICED Cn1cc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1C(=O)NCC(F)(F)F 775689040 XKGAIZYBKMMNGR-UHFFFAOYSA-N 430.412 0.974 30 20 ICED CC(=NNC1CCS(=O)(=O)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 776793207 WOGWSCULNFOCMB-UHFFFAOYSA-N 437.565 0.303 30 20 ICED C#CCOCCNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 784327789 XHUJRDAXPNERNW-UHFFFAOYSA-N 425.507 0.806 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 787356771 ADEAISXRRNDUKB-UHFFFAOYSA-N 427.529 0.897 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccsc3)c2=O)cn1 790428165 QYKDPVQKXZFHED-UHFFFAOYSA-N 441.538 0.539 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cccc(OC)n2)c1=O 790428632 ZAOGWGFPDPHJLA-UHFFFAOYSA-N 440.525 0.381 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3-n3ccnc3C)CC2)c1C#N 793807872 KEZLVBGIQMDDED-UHFFFAOYSA-N 447.503 0.454 30 20 ICED C=CCN1CC[C@H](N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 799141295 SKSNTKPVIHXGRX-INIZCTEOSA-N 428.555 0.340 30 20 ICED C#CCNc1nc(NC[C@H](C)N2CCN(C)CC2)nc(NC[C@H](C)N2CCN(C)CC2)n1 804421926 VXMALJSZHWVMSS-OALUTQOASA-N 444.632 0.012 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cn1C 808542383 BQZFHCHIVFVIDB-UHFFFAOYSA-N 442.457 0.754 30 20 ICED Cc1nccnc1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815853900 FZTLOFUMGLNKGX-XIEYBQDHSA-N 444.517 0.895 30 20 ICED CCN(C(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CCS(=O)(=O)C1 914819887 XUOHZAKEWKLFFH-INIZCTEOSA-N 447.517 0.729 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(C(=O)N(C)C)CC3)CC2)o1 915443509 UQWBLOKPTRGAKZ-UHFFFAOYSA-N 432.481 0.440 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cc1 916199104 AOZUJLFSFHMCJS-UHFFFAOYSA-N 427.526 0.480 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2CCS(=O)(=O)CC2)c1 919840916 TXMSVZDQWZCHLG-UHFFFAOYSA-N 448.526 0.599 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1299241545 QMGSQFFBWNFEEH-MRXNPFEDSA-N 445.549 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1360715119 UMCLFNNNRUYVAO-YOEHRIQHSA-N 448.549 0.893 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 1460026696 KWDZCNOTHNHOPU-UHFFFAOYSA-N 439.465 0.766 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1505140498 WWRIPQAJLWPNFG-CVEARBPZSA-N 435.554 0.641 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1509977654 YUDLELZKDCEVFC-BTYIYWSLSA-N 427.509 0.495 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1557093418 LNIXEFBHLIOCLK-WBVHZDCISA-N 433.534 0.593 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1617709901 RDOKNQYSEIYSET-QGZVFWFLSA-N 443.533 0.519 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625897332 ZHHWIPQENIBFMU-BZUAXINKSA-N 434.518 0.256 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1696955447 UWUKIRDUTMLZBR-UHFFFAOYSA-N 449.519 0.953 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](C)N(C)C)CC2)c1C#N 1707807704 JYAQVFBDERXKGC-RDJZCZTQSA-N 427.557 0.972 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1712692290 PZXXRIBCAHBTJW-QGZVFWFLSA-N 444.517 0.299 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 1746647897 SWCMRTIVNGWLIB-FRQCXROJSA-N 440.570 0.950 30 20 ICED Cc1cc(C)n2ncc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c2n1 1778559514 BEXUCPXMKUGYCT-VGOFRKELSA-N 439.472 0.562 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020091 GTUNNHDKAAGSBR-DHNIJCFSSA-N 430.553 0.881 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061011 MRVCMULCZWUHFA-OAQYLSRUSA-N 438.546 0.421 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccccc1=O 1779102768 IYBTWETVTLJOJX-BYWUWDSWSA-N 446.504 0.768 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979202 NFYCSQQAJKKDDF-OYHNWAKOSA-N 426.473 0.761 30 20 ICED CC1=NN(c2ccc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2)C(=O)C1 1780796247 JVULWTOVADNYBJ-QFIPXVFZSA-N 438.440 0.331 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203058 RGXSPMBLNHVJDD-LIRRHRJNSA-N 431.555 0.676 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1781973118 QOPZCUJMZQFJNW-BFUOFWGJSA-N 429.868 0.903 30 20 ICED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783033414 QRYQECBHCLFQRZ-QFIPXVFZSA-N 426.473 0.999 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)CCO2 1783056298 SFYXYZZGUUPJJG-NHCDEPBKSA-N 447.532 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1783530926 VRRYGKPMDCEIGF-JDHQYPSRSA-N 438.488 0.181 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783775394 RTYQIJXTVYFGFQ-ZHRRBRCNSA-N 449.504 0.598 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352870 UVTABJTWOXIGRR-OPAMFIHVSA-N 430.505 0.854 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785228864 HOAQWBRAQKKQJR-KZULUSFZSA-N 430.523 0.991 30 20 ICED COC[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 1787470014 ODOARVJOCVLUFJ-CWVYHPPDSA-N 445.582 0.824 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477718 ZSOUVOHXQDFFCW-BVFUMPBJSA-N 433.469 0.383 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnncc4C(=O)O)[C@H]3C2)cc1 1788885706 BQOSVVAJSNWBLF-VDGAXYAQSA-N 449.467 0.882 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)cc1 1789093374 RJBXDRNYXMRZMD-ULQDDVLXSA-N 434.456 0.354 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792838206 UEXGXFOOUPKPLD-CWPLJXCYSA-N 448.976 0.765 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792888877 IWJHAZQTLKGNOJ-LXTVHRRPSA-N 447.479 0.673 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccnc1 1793148174 ZTQCBRPTICIKFC-UKBAYJJMSA-N 428.489 0.870 30 20 ICED Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1794121052 BKQBKCXOGPGOAC-HXRSQUDLSA-N 433.509 0.619 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2)C(=O)O 1795643140 ACPWYRDOHNSPDB-ZFHGCVPZSA-N 434.880 0.478 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O)C(F)(F)F 1797792894 GJDJIMGQFBWGRM-XGUBFFRZSA-N 436.383 0.189 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1797815091 IPZZLSZJIWTIIN-PHJQXLAESA-N 436.425 0.050 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799083955 IFMIXQNBWFHXEY-UPHUGPLXSA-N 441.488 0.371 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799254906 DQBQZQYXMXKRAZ-XEMDLRDOSA-N 435.521 0.531 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c1 1799285455 YSKUCFMTLBDGCU-WYADAEROSA-N 428.489 0.469 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(F)c(F)ccc2c1 1800068969 IVTJSPOLNAGQDS-HBCWATKFSA-N 429.379 0.804 30 20 ICED C#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]1CCCO1)C2 1802128023 VUAIKVTVTXWOAN-CWQOZTLDSA-N 435.521 0.672 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810283451 AMTWVPHROABDNN-OKZBOYLBSA-N 426.521 0.838 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2ccnn2)[C@H]1c1cccnc1 1812394764 GPQXWQHZVCSRNW-RNDBONGYSA-N 437.504 0.799 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880911 TWHQRDCFJFINFW-GCJKJVERSA-N 447.488 0.245 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3=O)[C@@H]1c1cccnc1 1812881682 ZIYFQLZKLIQZGE-HRAATJIYSA-N 432.436 0.733 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176040 PJHXVPUAUHXISM-BEVDRBHNSA-N 430.530 0.967 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)CCC1 1814055654 WRXYCMAUAYRADV-ICSRJNTNSA-N 429.521 0.068 30 20 ICED CS(=O)(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)nc1 1816197663 NMFUNRZHYZPOSV-HNNXBMFYSA-N 445.457 0.602 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819892149 XTSUTCRGEZMLIH-FOIQADDNSA-N 441.513 0.891 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCS2(=O)=O)n[nH]1 1821829920 CDAMOSREGLCCMR-NKIGNDQYSA-N 449.533 0.837 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829758109 VLTVMRUIPGZVCI-GICSZMDTSA-N 448.505 0.362 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1830953708 JTQPMORFNUPHCD-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1832452035 QEEJOIDBSSJGQV-WIYYLYMNSA-N 434.562 0.847 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832676213 HWBLAROIAJKECG-NWBNNPRYSA-N 442.472 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1 1833076228 KBHKDEGBDFUJIP-XFHJGTJQSA-N 432.565 0.843 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2)CCO3)c1 1834029553 DIPAMJOIBQJQSL-JOCHJYFZSA-N 437.456 0.741 30 20 ICED COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339257 JEIDZJPPSLKLMX-QFIPXVFZSA-N 429.473 0.834 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665552 YRTONHIXLUHDDZ-UHFFFAOYSA-N 435.598 0.810 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836346121 XOVZXRXYXODDRF-FQEVSTJZSA-N 429.864 0.580 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837107321 CUWHFKIHFWKLBR-VGSWGCGISA-N 426.473 0.443 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1C 1837528333 HBAMIKLOOSMCCT-IFXSCVBMSA-N 448.520 0.933 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837567290 BXGZEHJUGXQIIQ-YVABFXQFSA-N 442.472 0.498 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1C)CCO2 1838259712 JIJOWTMZNQFLIC-ICTHTSFCSA-N 446.479 0.458 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5cncc45)C3)C2)c1 1838737317 OENLHOQVMRAAQN-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1838738228 YLJCRCIDUTUILH-QHCPKHFHSA-N 440.500 0.655 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1C 1838739072 KBDRDKGFJWKEOC-HXUWFJFHSA-N 428.449 0.012 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3OC)CCO2)C1 1838877892 FJTPBJGFJZSQSI-UZUQRXQVSA-N 446.500 0.812 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838953393 UXRBVXYGIZTXEW-QFIPXVFZSA-N 441.484 0.972 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839381525 ZIDYUSZICKPUGZ-QRWLVFNGSA-N 431.518 0.656 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1839810284 OWBKVNVYIUCPPJ-QFIPXVFZSA-N 430.480 0.527 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839866667 HXLYDKGHLNPFAR-CVDCTZTESA-N 440.500 0.083 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840159879 PVEMDNBZIXJPCU-MGPUTAFESA-N 431.518 0.656 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840163688 MEBVXNFJGDBTEC-XCLFUZPHSA-N 432.502 0.724 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840514101 KUMFOYBAFOUNTP-QFIPXVFZSA-N 432.521 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1841598291 AUXAVAFQAZZARF-KRWDZBQOSA-N 441.532 0.943 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1844239473 HNBLXBITHPYCQP-GOSISDBHSA-N 442.553 0.459 30 20 ICED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nnn(CC)c21 1848213171 DVQOXUZZTZFTQF-PVAVHDDUSA-N 442.520 0.967 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)cc1 64765661 YCSXBDNVRYGLDY-UHFFFAOYSA-N 446.485 0.746 30 20 ICED C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409585111 ZMHHKUMWIFSXSO-RDJZCZTQSA-N 432.506 0.884 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 427281481 BLWXMJWBHMLLOR-CQSZACIVSA-N 425.507 0.719 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 438323872 JZIUNXSHCLBEKZ-UHFFFAOYSA-N 433.450 1.243 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 439948849 VAQVYWGMWYLMNY-AHCXZYCDSA-N 449.485 0.130 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)c1 441952223 IPPDQMQFHPCCKN-GOSISDBHSA-N 439.537 0.617 30 20 ICED C=CCn1c(O)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 470822530 RGEDIBUDINWLOR-UHFFFAOYSA-N 439.519 0.921 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1C 471981460 VRXXNXKCXJURRR-UHFFFAOYSA-N 439.541 0.862 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 479012485 BBUMCOUPXKENOH-AEFFLSMTSA-N 436.534 0.175 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 482837659 KEKRYLGQONSASH-IAOVAPTHSA-N 425.532 0.793 30 20 ICED Cc1ncc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 489790263 VJITWEGNYLQBLU-UHFFFAOYSA-N 441.457 0.401 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1C 502057313 LFYBUAWFHJUYEW-UHFFFAOYSA-N 437.525 0.515 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 503327580 YHFOGMWOJJKTIZ-ZIAGYGMSSA-N 445.563 0.712 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1 504722184 UBAIXZHUBZMIJR-UHFFFAOYSA-N 449.515 0.687 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1 506309308 ZKSWFFIKFRIFSK-UHFFFAOYSA-N 430.504 0.001 30 20 ICED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508492781 KMRMETPOPWPKBJ-UHFFFAOYSA-N 445.549 0.629 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 510693536 BENSDHDEBLSQKF-AWEZNQCLSA-N 430.552 0.896 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC[C@H]1N1CCN(C)CC1 515021753 LHFHFIWLOGBTCN-SJLPKXTDSA-N 436.520 0.562 30 20 ICED C=CCn1c(N)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 515586414 HJUWVFVOFMLOLR-UHFFFAOYSA-N 438.535 0.798 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCCC(=O)OC 521663976 SRBQFVYWVMMUJU-UHFFFAOYSA-N 447.463 0.946 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccs3)c2=O)cn1 522384298 RJLBFDWBHICLFV-UHFFFAOYSA-N 429.527 0.443 30 20 ICED COCCCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 522820617 LVJRYSHYTFNKDA-UHFFFAOYSA-N 436.534 0.802 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CC1 530682852 YUZPWZUWBZFSSK-UHFFFAOYSA-N 444.532 0.956 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1C 536440279 RKMRVKTXQRHDDB-GOSISDBHSA-N 437.504 0.755 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 539131924 XWBWSDMANFJBCF-QGZVFWFLSA-N 446.467 0.446 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(C)C 541074373 CAUMGAOMUNXRFC-UHFFFAOYSA-N 436.515 0.801 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 544179229 MFCRBSFVDQKJSP-UHFFFAOYSA-N 432.458 0.486 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)nc1 551429015 TVHSVUIURKLRIJ-AWEZNQCLSA-N 433.421 0.358 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 561644913 IRBZORQSZNIJNL-XUVXKRRUSA-N 430.505 0.160 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 562796173 SRHXJWTTZUGIJD-UHFFFAOYSA-N 438.488 1.363 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(C(=O)N(C)C)cc3)CC2)c1C#N 568056067 WYCBXRABABMTFY-UHFFFAOYSA-N 437.504 0.267 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)n1 569863375 WMGUATVIEWAHMF-UHFFFAOYSA-N 426.502 1.492 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1=O 581674004 ZKRUKWOMHLDBPQ-LEWJYISDSA-N 441.576 0.727 30 20 ICED CN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2C1=O 600812830 ZSVOKKVAYDCAEE-UHFFFAOYSA-N 438.465 0.931 30 20 ICED COc1ccc(N2CCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc1 600874998 JRAJJRPIUKGIGG-UHFFFAOYSA-N 435.488 0.354 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270436 ZKBSEQKEXPIZOE-UHFFFAOYSA-N 446.960 0.927 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC=C 609311333 KKDFACUYROQTAD-UHFFFAOYSA-N 426.454 0.818 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 611643097 HKUJPMHNNJHACJ-PGUXBMHVSA-N 434.301 0.868 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3F)c(=O)n2CC)CC1 619695447 YOYNHYNQGCIHOI-UHFFFAOYSA-N 444.532 0.745 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)CC1 673258474 SCMQVAIIQFJDSN-UHFFFAOYSA-N 428.537 0.053 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 726869555 SZYNDIFYYWLIPC-UHFFFAOYSA-N 428.470 0.297 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O 729673070 CYHNLQFSCMKXKB-UHFFFAOYSA-N 431.539 0.045 30 20 ICED COC[C@H](C)NC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816866 RPDOHMWIKMMLSJ-NSHDSACASA-N 436.581 0.635 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)ccc1F 730786755 RKGXEQXBVNTLQY-UHFFFAOYSA-N 440.497 0.101 30 20 ICED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907617 BMSQGLWZGWEUGD-HNNXBMFYSA-N 433.515 0.634 30 20 ICED CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 733231136 YWGDXEUSFOOLSR-CQSZACIVSA-N 440.460 0.440 30 20 ICED COC(=O)Cc1nc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 736110591 FAOJZWXTQPACPR-GFCCVEGCSA-N 434.478 0.612 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCC1=O 739115736 DEUODUNGQKFEMJ-DJFNHCPNSA-N 435.506 0.175 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)c1=O 743402539 LFLFAJQSYKQISL-HXUWFJFHSA-N 425.533 0.955 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)nn3)CC2)c1 749410175 UCFGGCBYXMOTDP-UHFFFAOYSA-N 443.485 0.137 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)N[C@@](C)(CC)C2=O)c1 749503569 CFSPAPDXFOQEEY-QFIPXVFZSA-N 426.473 0.580 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754773102 PNNVPMONHRGGQQ-GFCCVEGCSA-N 436.309 0.550 30 20 ICED C#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 758880445 UHNDJOHPEAXEOG-UHFFFAOYSA-N 428.536 0.153 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1CCOC 764979846 JZNJAAFVFPJZKU-UHFFFAOYSA-N 428.333 0.629 30 20 ICED C#CCSCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765624714 MMNIWKTZNLROJS-UHFFFAOYSA-N 441.550 0.921 30 20 ICED C[C@H](CC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 768735554 ZYJQEEQSSZJECC-BLVKFPJESA-N 425.507 0.713 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@H]1CCCO1 781503869 KXNBAYSNLPIWMN-HIFRSBDPSA-N 443.547 0.765 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2sccc2Cl)c1=O 782599955 FOBGJSGNZMCJFZ-NSHDSACASA-N 441.962 0.925 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)c1 785344469 GTSAAHDAHQTFMS-OFXNXBLFSA-N 448.501 0.746 30 20 ICED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 797541648 URQBOSHEOCHSFA-NGIIGVMLSA-N 449.533 0.423 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798748213 STRBGFZZSBUZTR-CYBMUJFWSA-N 434.478 0.923 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 804255345 CTFMKBBFDCBSKY-UHFFFAOYSA-N 430.509 0.975 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 807314906 OAJDVTDSBCZBJB-UHFFFAOYSA-N 445.288 0.747 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@H]1CCCO1 809306835 VXBRYWRKTBHVTG-RTBURBONSA-N 426.517 0.683 30 20 ICED O=C(N[C@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 816691953 CLZBKAHBYVMPCD-AWEZNQCLSA-N 431.430 0.789 30 20 ICED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 856693746 JVYPKCDBJYEKAV-UKRRQHHQSA-N 436.490 0.148 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3ccsc3)CC2)o1 915373085 LODKJLYQPYFXTP-UHFFFAOYSA-N 431.474 0.928 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 916199860 KUTAEZWUZSHEKI-UHFFFAOYSA-N 433.917 0.571 30 20 ICED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1=O 917149443 IZVRDUMUZBJOQC-QFIPXVFZSA-N 435.440 0.506 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O 917356123 GMKTUMHIKFMUFK-UHFFFAOYSA-N 449.536 0.611 30 20 ICED CCOC(=O)C1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 1116346585 MDIQHDDDQQREAW-UHFFFAOYSA-N 448.545 0.857 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1298101781 NABLKGJXAQSYBX-INIZCTEOSA-N 431.522 0.410 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1303640466 KMEBQHXKKRQKTL-CABCVRRESA-N 428.584 0.899 30 20 ICED CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360290620 VPRXODSCUOXSLY-UHFFFAOYSA-N 432.492 0.853 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)NC 1545894609 ZYWSOILMZZSTGN-SFHVURJKSA-N 425.559 0.876 30 20 ICED Cn1ccnc1C(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1C 1557541756 BVUDGWOFFFFJKY-UHFFFAOYSA-N 427.490 0.488 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1C 1611707538 STXIIJDLJMQXGM-ORIJERBGSA-N 445.553 0.846 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CC(=O)NCC(F)F)CC2)c1C#N 1612472212 KYNLDSMMGVKIJC-UHFFFAOYSA-N 447.494 0.852 30 20 ICED C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740808355 IGOPQIRYNIBKFX-UHFFFAOYSA-N 445.915 0.503 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1751983007 PIMOPDXCHFHCIO-OAHLLOKOSA-N 435.492 0.658 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)c1 1769364135 ZGGATZSJZBBOBE-HNNXBMFYSA-N 427.490 0.958 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016039 KTQDEZHNWBUSIL-HLQTZPMBSA-N 428.493 0.096 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)CC2)CC1 1780333867 JUHBOQZHMMMTEP-OAQYLSRUSA-N 426.521 0.110 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780592853 IAQBZIPMIHSFPJ-QHCPKHFHSA-N 433.468 0.827 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1CCN(C)CC1 1781094913 ZIVUVUXQPZHZGA-VZCLOHQVSA-N 431.537 0.164 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(c3ccccc3)CC1)CCO2 1783558570 RPSHIAQOQDUXEV-QHCPKHFHSA-N 425.485 0.821 30 20 ICED COC(=O)[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)OC(C)(C)C 1783784190 NUDMIVGWERQGAL-JLTOFOAXSA-N 438.481 0.186 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1784537034 JBBZVHQSQJUTBE-VJANTYMQSA-N 438.638 0.701 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c1 1784575454 WTYFPJJTBUWIFN-VJANTYMQSA-N 426.473 0.579 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785350272 DWCVCBFBNREOSF-HTAPYJJXSA-N 430.505 0.856 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1785574402 IVYTZEOGRZBZLQ-KKSFZXQISA-N 446.508 0.025 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)C=CC3=O)CCC2)cc1 1785841710 NGORVXPOXNDOSL-HJWRWDBZSA-N 436.468 0.904 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1786642258 CDSYDPBFIPYVRP-FHWLQOOXSA-N 433.530 0.515 30 20 ICED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CCC1 1786689511 JVRXGEAUSLCKEE-KRWDZBQOSA-N 447.557 0.889 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSC(=N)N)[C@H]3C2)c(C#N)c1 1786779014 UGTIBPCQTONVLO-WBAXXEDZSA-N 445.545 0.716 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1788631717 WSKGSGIXVSZEMD-XIRDDKMYSA-N 444.488 0.180 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660467 QSHIPMXFXMVXBU-WWCQJWTPSA-N 436.509 0.116 30 20 ICED 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C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989636 LBFLRNCXOFVYFY-QWHCGFSZSA-N 445.501 0.364 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1830056130 NECAKDGWTMRBAR-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830644297 COPMXDAFKYGJMP-GHTZIAJQSA-N 440.562 0.788 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831393561 YAFKZUMNKKXHQI-BTYIYWSLSA-N 428.445 0.331 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831419672 ONNHLCZROGBOPJ-CDMIOBSGSA-N 439.553 0.585 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncccn4)CCO3)C2)c1 1834296937 PITZWPADNHUZLM-NRFANRHFSA-N 425.420 0.871 30 20 ICED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1834406584 FXISMTXXZGVTDS-GAMXZPBPSA-N 449.508 0.502 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1)C(F)(F)F 1834704765 FAZFALBCVOTXNY-UHFFFAOYSA-N 430.475 0.516 30 20 ICED Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834930983 LSQIWIKKLZGJRH-UHFFFAOYSA-N 430.557 0.580 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(C)cc3)CCO2)C1 1835158378 XQJOCCDRURXPGJ-AUSIDOKSSA-N 430.501 0.869 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1835680425 HXIPIVGJNJVLQT-NRFANRHFSA-N 438.594 0.868 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1835682180 AVQZCPKGXCEUIN-IRZJEQJZSA-N 436.553 0.276 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797073 IJNYCSOOVXMAKJ-ACJLOTCBSA-N 425.511 0.596 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835973163 JTJNESCJTXKADA-ARJAWSKDSA-N 431.493 0.424 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158018 AJIFNOGPONYMQL-HCQBAUJFSA-N 446.504 0.610 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837373018 OEAFFBUJCCWUDS-HXUWFJFHSA-N 431.880 0.866 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1837400734 MWOYZFBMIGLAOZ-VGSWGCGISA-N 448.520 0.518 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489715 QLOMVLLYFYDRTB-QFIPXVFZSA-N 446.504 0.334 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837559752 GHDRPDYZALDCTQ-XUHCNCODSA-N 442.472 0.629 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838192059 DYJNDDSBWRCYJO-JTSKRJEESA-N 432.521 0.809 30 20 ICED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)CCC2 1838740140 FVTGQJDXRMWYLZ-JOCHJYFZSA-N 438.488 0.492 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1838758838 YIPZRUYCVQYFBC-OAQYLSRUSA-N 441.492 0.617 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3OC)CCO2)C1 1838877890 FJTPBJGFJZSQSI-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1839175868 JKJXOJWFDONSKH-HTAPYJJXSA-N 448.520 0.718 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)ccc1F 1839189458 LTZUCCDRUGBINV-HTAPYJJXSA-N 431.464 0.733 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363903 BBBHQZIWNMTMNV-OAQYLSRUSA-N 449.529 0.257 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1839872308 GDBSSGCRKHHXHX-XMSQKQJNSA-N 426.473 0.073 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1)C(F)(F)F 1839891854 BYLJLXKURXOKTI-KRWDZBQOSA-N 430.383 0.674 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)C1 1840044489 JUBAIMZCGZVOAG-NRFANRHFSA-N 446.887 0.916 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840166191 XGSILVWRIWIJGB-IFXJQAMLSA-N 431.555 0.676 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840483304 CTWSVKMJINWQRN-HSZRJFAPSA-N 436.468 0.850 30 20 ICED O=C(NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)c1cccnc1 1844299112 BZTNRZUYJFVDEA-NZYROCMPSA-N 429.477 0.544 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844822203 UOUVKDHSRQNQKX-HNNXBMFYSA-N 432.477 0.901 30 20 ICED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1845246423 OKFROVXHMQXSHV-UHFFFAOYSA-N 437.537 0.970 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(S(C)(=O)=O)nc4ccccc43)CC2)o1 31917520 AWXLHHBTAWENHU-UHFFFAOYSA-N 428.474 0.957 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 103390635 DKNDSFXBLCQLPC-UHFFFAOYSA-N 425.470 0.595 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 106062306 URJLCRYVLKERQK-UHFFFAOYSA-N 437.485 0.610 30 20 ICED CCc1nc(CN(C(C)=O)[C@@H]2CCN(S(=O)(=O)N(CCC#N)CCOC)C2)no1 409483401 GTSZRUBLGSXCCM-OAHLLOKOSA-N 428.515 0.162 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)n1 410137965 ZEVZNULGSSRGRO-OAHLLOKOSA-N 430.531 0.392 30 20 ICED N#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 427908434 ZDOIVFNVQAYPIB-UHFFFAOYSA-N 449.533 0.666 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCC(=O)NCCN3CCCCCC3)CC2)c1C#N 432450730 WDKIKFRQTPFDFZ-UHFFFAOYSA-N 430.557 0.424 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](O)C23CCCC3)CC1 433032028 QCOXIBSJGKRPCC-LJQANCHMSA-N 432.546 0.771 30 20 ICED COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 435112712 DAPJYFDOFHRWGC-BPLDGKMQSA-N 436.490 0.509 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)C1=O 440260701 ZFZKSQIIWJUAFI-ZDUSSCGKSA-N 449.460 0.683 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ncccc23)C1=O 440270417 JVHKMWQOENUOCM-INIZCTEOSA-N 440.456 0.970 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1-n1cnnn1 441896361 YXFFKGYZWKIICZ-SFHVURJKSA-N 446.471 0.846 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 442285120 POKSKLRILRLTOH-UHFFFAOYSA-N 436.534 0.841 30 20 ICED N#Cc1ccc(CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C2CC2)cc1 442443392 PVJHXBFDNSAPBU-UHFFFAOYSA-N 436.472 0.743 30 20 ICED Cc1cc(NC(=O)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)ccc1Br 444511220 KCOYCLDWANTGRP-UHFFFAOYSA-N 433.266 1.561 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447787739 RKCVAKQYUBWRTG-GOSISDBHSA-N 449.536 0.914 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CC1 466718703 OIVWLYHFLOZWMD-INDMIFKZSA-N 430.530 0.500 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467288081 MGMNHGFGAUIYAL-GFCCVEGCSA-N 443.533 0.398 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n(C)c1=O 469968392 AEFTXCXAEZRCFN-UHFFFAOYSA-N 449.471 0.655 30 20 ICED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471052544 IUJKFYVCRFESAL-UHFFFAOYSA-N 442.472 0.735 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)c1C#N 471704417 DOBODQLIPZRMHR-UHFFFAOYSA-N 428.518 0.885 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(CC(C)C)c2=O)n1 479369700 CLRXODITCQCIQB-MRXNPFEDSA-N 442.541 0.768 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(N)(=O)=O)s1 479851524 ZCOMSFXEBYELAM-JTQLQIEISA-N 428.517 0.250 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 483505864 RIZMPSFLITUBAO-AWEZNQCLSA-N 435.506 0.573 30 20 ICED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 488790289 WJVPMSPNBRWHJG-UHFFFAOYSA-N 432.418 0.168 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 489173230 XJJSHCCJOGJJQR-RHSMWYFYSA-N 440.547 0.252 30 20 ICED CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](C)CS(=O)(=O)CC 491309052 JDCXCOYYQGROHS-AWEZNQCLSA-N 432.506 0.808 30 20 ICED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C#N 498533129 VUZXOQAXVTUKIE-UHFFFAOYSA-N 432.487 0.935 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C1=O 499047036 XLMFOUQHXRJDHA-LBPRGKRZSA-N 425.405 0.393 30 20 ICED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 504853554 RGMTVGRCJRHSHW-UHFFFAOYSA-N 438.440 0.961 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 509892927 GPNCIROTYFZNPR-OAHLLOKOSA-N 444.517 0.624 30 20 ICED N#Cc1ncn(CCNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 511361349 MVFGMJHNAFGMGK-UHFFFAOYSA-N 427.240 0.222 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C1CCN(C)CC1 513046846 NWZVZVDDOVPTTB-UHFFFAOYSA-N 430.530 0.344 30 20 ICED CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516222726 DUGFSFJDVHLZIJ-AWEZNQCLSA-N 425.536 0.181 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 518603214 JABZFXNHKBZDAP-UHFFFAOYSA-N 434.460 0.921 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 525173317 WMMOHBZYORELOZ-UHFFFAOYSA-N 433.489 0.927 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCCO2)c1=O 535329033 HSBZCWVFHXTQEI-INIZCTEOSA-N 427.530 0.477 30 20 ICED CC(=O)N1CC[C@H](CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 535848098 BJBISALFODPKPM-GOSISDBHSA-N 447.561 0.191 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538100956 WLDDYNLYJWMAGY-HNNXBMFYSA-N 447.540 0.134 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H](C)O)cc1 540928027 YVLXCAFTORSCSD-GUYCJALGSA-N 434.522 0.291 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)nn1 545500142 LQIQYDUBIUOZGI-AWEZNQCLSA-N 432.462 0.262 30 20 ICED CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 561891461 YHTSWOVYEURAPN-UHFFFAOYSA-N 438.554 1.015 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1Br 563968148 XLGRMHMXEKJWIJ-GFCCVEGCSA-N 436.310 0.963 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 570534164 FOJUHTGYIUIRHB-UHFFFAOYSA-N 444.499 0.999 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC1 571311052 TYAMARAJAVLIJB-GOSISDBHSA-N 431.512 0.357 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 577438645 SWGICOBXHWOBOF-CYBMUJFWSA-N 436.515 0.913 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 582802800 LSQNIWPNOVZESF-CYBMUJFWSA-N 432.506 1.402 30 20 ICED CN(CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1)Cc1ccccc1 588127560 LKXBIYQANVGBMP-UHFFFAOYSA-N 426.565 0.367 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1 589244679 ZMQBUDJTNSJOCC-OAHLLOKOSA-N 432.506 0.463 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 609428111 CBEXPSUFMKBYBY-UHFFFAOYSA-N 432.506 0.660 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615631928 IDUOGRBEWRFQHO-NRFANRHFSA-N 430.484 0.299 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 672221233 FFENZZPZNYEXLR-DOTOQJQBSA-N 429.564 0.989 30 20 ICED Cn1ncc(C(=O)NCC#CCNC(=O)c2cnn(C)c2-n2cccc2)c1-n1cccc1 680340013 SBPZIBCOKKCVLA-UHFFFAOYSA-N 430.472 0.898 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCNS(C)(=O)=O)C1=O 726889621 RSSCMSJVTPIBTI-GFCCVEGCSA-N 429.524 0.097 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 743917520 QRDCFFNLTNYVNT-ACNSNUFOSA-N 433.534 0.791 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)N1CCNC1=O 744594637 SXTVZWISOFGXQB-ZSEKCTLFSA-N 426.429 0.635 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 745356370 HDHLTHJYALUGSJ-AWEZNQCLSA-N 439.538 0.932 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746363321 SKFKRJVQDUAKPJ-UHFFFAOYSA-N 430.490 0.495 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1C 747529327 HZVZNINNYCTAKW-UHFFFAOYSA-N 439.516 0.843 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 752725544 RNTSIUPGEALRMT-RBZFPXEDSA-N 447.517 0.342 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754606968 LYOJBXSYXLXWHP-BBRMVZONSA-N 443.460 0.480 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)[C@H](C#N)C1 755542846 BEWSXFJMCLXYGH-GDBMZVCRSA-N 444.492 0.732 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758644894 OBCJNBGSYSMQLV-ILXRZTDVSA-N 430.527 0.855 30 20 ICED C=CCCS(=O)(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773345950 VUEWUXNGNGKRHL-UHFFFAOYSA-N 426.538 0.287 30 20 ICED COc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781104050 KCSPTXPSSHHSRF-QGZVFWFLSA-N 445.545 0.727 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 783479626 FQKHKBQMIZLGOT-CYBMUJFWSA-N 446.266 0.879 30 20 ICED C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 794245170 QKXLAQPZVFBCTD-UHFFFAOYSA-N 430.870 0.843 30 20 ICED CC1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 796421369 ZPHPMQYSLRPJGK-JXMNSVBMSA-N 425.532 0.752 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 796459282 PPGXBPJOGOYCOG-INIZCTEOSA-N 430.454 0.321 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CCO1 799999187 UROYSIGBKKNFPQ-VIFPVBQESA-N 426.367 0.973 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCS(C)(=O)=O 800785151 BSPUMURYMLTMEH-UHFFFAOYSA-N 427.552 0.862 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1=O 805007045 LFVYRCLMOSPWDV-HXUWFJFHSA-N 445.539 0.829 30 20 ICED COCCOCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 808961461 SEASLQRAYLHMEZ-HEHNFIMWSA-N 440.522 0.559 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cccc(C#N)n2)cc1)S(C)(=O)=O 810663217 YHHBYSQGPQQGOJ-UHFFFAOYSA-N 438.487 0.488 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2ccccc2F)C1 811041737 HCCAMCHTXORSCI-GXTWGEPZSA-N 426.470 0.979 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NN=C2NS(=O)(=O)c3ccccc32)CC1 914600869 ZKHUTIFEWNSFBR-UHFFFAOYSA-N 436.519 0.906 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC 916935742 VANOPWDMPLEOGA-CQSZACIVSA-N 430.442 0.849 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-n2cncn2)nc1 917168909 MGSLUUSKLQFOBI-UHFFFAOYSA-N 425.474 0.797 30 20 ICED CC(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 917229968 WZWPTUSJTPNZMC-UHFFFAOYSA-N 443.481 0.941 30 20 ICED C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918261184 SNOPSIPGMQQMTN-WYOZQYPVSA-N 432.506 0.839 30 20 ICED CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918316872 WQMFGKNLNKPSMY-HAVVHWLPSA-N 449.533 0.423 30 20 ICED COC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919289082 DGODHHMWGSUFMD-UHFFFAOYSA-N 431.405 0.696 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1297787585 MZJOUOGJNYAWSE-QGZVFWFLSA-N 434.522 0.834 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1301017666 LWCZFGCPAQCXCB-LLVKDONJSA-N 440.979 0.159 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301766817 JBMIOFFNCQLYIC-LAUBAEHRSA-N 428.541 0.523 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1302456648 VVGHEUSOWWRYDP-SFHVURJKSA-N 430.534 0.772 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1315937277 VHLJFXKTJPCJQD-PXNSSMCTSA-N 447.517 0.218 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502669264 ZNTBHVNSWLBTPA-LJQANCHMSA-N 440.570 0.998 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1541911330 OBJRARPUSIHKIC-AVYPCKFXSA-N 448.549 0.936 30 20 ICED COC(=O)[C@H](Cc1ccccc1O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629956918 IPXCLNGEHPICBA-HNNXBMFYSA-N 431.470 0.721 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1631704302 JDBWMBAQHJKWTB-HNNXBMFYSA-N 430.534 0.739 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1778267140 OGGWRIOAKXJODF-QHCPKHFHSA-N 425.533 0.558 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552083 DAECBQMKOUKKOF-GAMXZPBPSA-N 447.492 0.638 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781650627 XIHHVWBPEKZACC-AXVVYFOYSA-N 428.551 0.669 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1781861149 NXHXJFLXVJYJGP-VGSWGCGISA-N 444.488 0.845 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)c1 1782732437 SWEJMPZVWGCXOI-HSZRJFAPSA-N 434.500 0.727 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1783889172 QOKHRGAFTXYSRX-ZQGRQUNCSA-N 441.550 0.713 30 20 ICED COc1ccc(Cl)c(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1784056299 CPALTAXJTOXANU-FQEVSTJZSA-N 438.839 0.948 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784387303 VPNWDCNXQKYJSV-BQFCYCMXSA-N 428.445 0.150 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cncn1 1784479098 PKNCGMVHWMYEOO-LHSJRXKWSA-N 434.460 0.731 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C[C@@H]21 1784482182 FPMJPHOECBGQJV-YRFFXBIPSA-N 443.500 0.982 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380030 MBVNODAIBYWFTE-VGSWGCGISA-N 438.488 0.695 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368755 ONBFSCNKGBMRHH-VGWMRTNUSA-N 434.493 0.806 30 20 ICED CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn1 1788601296 RYNGSMFALZAOMS-MZIWZUHYSA-N 444.536 0.940 30 20 ICED CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657655 GQNQZTABXBLLCY-KKQHZTNYSA-N 437.493 0.614 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2 1793346382 OCGHVPHVFQSJEK-KMQSCTNJSA-N 441.528 0.765 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1793362251 WPKKKKDZIFFFIM-HNULKUCHSA-N 429.517 0.986 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794207855 DIDYWPOJENWWGO-XFORJOMPSA-N 430.486 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1 1794305087 AKWMFLRBMJZCGC-WZEOQFAXSA-N 427.505 0.631 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796417717 FNTRQFVRICJOJK-VPTLXERWSA-N 434.493 0.884 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797688561 XHOYNPBAZIFFAE-JJAZEVLHSA-N 431.880 0.624 30 20 ICED C=CC(=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 1797946348 SZJYUXDNURFRQZ-XTGKAWNFSA-N 428.464 0.520 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801162 KMKMBHQGNAULAB-FZDIXFNVSA-N 427.505 0.778 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2)C(F)(F)F 1800549291 WMLPLPQHHCCZNW-JJLQDPRZSA-N 447.435 0.807 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)C2 1800774081 OOVOHKPRDXAIGY-USGNIVHTSA-N 440.412 0.227 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1802125832 WNXBWFGBOSECIR-KYHPRHEASA-N 443.504 0.596 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)N1 1806635827 KJVGXGAJGKQNBA-HBWLIQHTSA-N 443.504 0.895 30 20 ICED O=C(COCCO)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1808615212 QJFOPGOKUUUAET-SIKLNZKXSA-N 429.517 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCCC3=O)sc2C1 1825858239 KDVMEFGRLCOCQW-QIAWRQBBSA-N 445.545 0.926 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nc2nccn12 1830061768 WKWSJBUGEORORY-OAQYLSRUSA-N 426.477 0.658 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H]4COc5ccccc5O4)CCO3)C2)CC1 1831228869 ODRKNXXYBDOZBD-UZUQRXQVSA-N 441.484 0.977 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831435019 JBEJKDRJWXEMMT-VGOFRKELSA-N 428.489 0.995 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)C(F)(F)F 1832161170 BDVUAYVLXXIVQD-RBUKOAKNSA-N 441.406 0.942 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832762502 FMDCOXDSHBHBFA-JTSKRJEESA-N 431.489 0.127 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1832916712 BVNCNNOPVFFXQC-SJORKVTESA-N 437.537 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cc(C)on3)CC2)CC1 1833077210 SZNXSHGEXRYJDH-PLNGDYQASA-N 443.548 0.956 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1833222522 FFGAHXXYPCAXNS-QFIPXVFZSA-N 438.488 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833660321 VUPLFDZCTHVMKC-VGOFRKELSA-N 432.521 0.809 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1833883566 XNEDSSNVLFPARV-NRFANRHFSA-N 442.451 0.139 30 20 ICED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)C#Cc4ccccc4)CC3)CC2)n1 1834519233 YDFLCVKVYCQSLN-UHFFFAOYSA-N 449.559 0.943 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834774406 PBDJMGHKYVMLJK-YQTDCCHMSA-N 448.516 0.261 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835026133 JHOGFVJSWDYOOI-FDDCHVKYSA-N 430.501 0.732 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1835099539 MLCNKAVXFHDALN-HSZRJFAPSA-N 446.467 0.246 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835752482 RBEOZOJNRIKZAK-IIBYNOLFSA-N 425.526 0.498 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CN)c2ccccc2)CCO3)c1 1835818116 KVZNSWYCYYVGSR-CVDCTZTESA-N 437.500 0.699 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1837392835 HWJFMTDOTVQECV-MBSDFSHPSA-N 447.532 0.662 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837399651 YOXISCZCKIOLJF-YWZLYKJASA-N 442.463 0.921 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447510 QAYZDPMDOPENKV-GIFRWZEPSA-N 446.552 0.447 30 20 ICED Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cs1 1837489618 OAWCHDOHIJRWQD-OAQYLSRUSA-N 448.545 0.494 30 20 ICED Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524327 FXUYMASODGYLNX-RXQHMNIESA-N 434.493 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)on1)CCO2 1838122084 WMHJBCNGYCZVSX-RMUOZIPVSA-N 432.477 0.165 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838423185 GWKMRTKFIMTWSI-YLJYHZDGSA-N 433.534 0.754 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838907416 ROLUVMHECJTNON-URAOTHONSA-N 433.530 0.787 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839068097 VDJFVNSQADMCBY-AVRDEDQJSA-N 437.537 0.294 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839378233 WRKOEDFTJUPQBH-JOCHJYFZSA-N 432.473 0.893 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839568587 BIVCFBWFGNPJSY-JTSKRJEESA-N 426.473 0.443 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnc2c1 1840160270 CUYMSOZRUXNPPO-BTYIYWSLSA-N 446.529 0.391 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840166864 ILZHIJQUXISOLH-NRFANRHFSA-N 449.529 0.359 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840175810 GTMDOLKFJIGFRO-IMRHEYAYSA-N 425.485 0.929 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379792 KXMNSKAQMSYJIV-OAQYLSRUSA-N 441.513 0.405 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)c1 1840498246 XTZACXYKIMJJMK-HSZRJFAPSA-N 436.468 0.972 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1841748503 AHDINPGOUKAWRG-LSDHHAIUSA-N 433.513 0.907 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844182391 DWBQDBAYYRILJC-AWEZNQCLSA-N 447.540 0.992 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC)C(=O)O 1847939581 IKZVMMLFTXVJPB-WCVJEAGWSA-N 438.525 0.720 30 20 ICED C=CCc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(OC)c1OC 10206908 AIRCFAHXXPKVEJ-UHFFFAOYSA-N 431.489 0.576 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)c1cccnc1C#N)NS(=O)(=O)c1cccnc1C#N 428376015 RTUCQBQVMYTDOI-INIZCTEOSA-N 448.530 0.844 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 436773391 JASYPYYLBQQDJQ-ZDUSSCGKSA-N 430.490 0.655 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)C1=O 440245947 WAFPXZCMNRITHI-INIZCTEOSA-N 436.896 0.900 30 20 ICED N#Cc1ccc(-n2ccc(=NC(=O)N=c3ccn(CC(=O)N4CCOCC4)[nH]3)[nH]2)c(F)c1 446293461 XVLDLQDCZUXQIB-UHFFFAOYSA-N 438.423 0.426 30 20 ICED C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1C[C@H]1CCCO1 447491985 MAZNKROHBVNUQG-MRXNPFEDSA-N 441.554 0.492 30 20 ICED C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461984168 MLXARDVEBRAUAR-DQDQBAQVSA-N 426.448 0.897 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(Cc4ccccn4)nn3)CC2)cc1 463302208 CEBFGNHLMJEEGQ-UHFFFAOYSA-N 437.485 0.740 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 482808335 CNVNJWXMTGUERX-NOLJZWGESA-N 428.536 0.059 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n(C)c1 487133524 XUEQXSHIVGZTPQ-XCLFUZPHSA-N 427.486 0.761 30 20 ICED COCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488278624 IVOAEKODBCCIRZ-ZWKOTPCHSA-N 434.518 0.504 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC 489130322 QVZQKJSKSSGWRS-UHFFFAOYSA-N 443.525 0.762 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 491222113 DHIUFNZEYGUSFH-INIZCTEOSA-N 447.561 0.784 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 505685353 ZOZWFSNLTOOKRC-CQSZACIVSA-N 449.602 0.359 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 511903035 YKDWNESIIQQKGB-UHFFFAOYSA-N 434.305 0.649 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)c1 530780490 VUUAFPNSMGTEQO-FQEVSTJZSA-N 449.467 0.924 30 20 ICED COC(=O)[C@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533441559 KWDPVMATLLHIKY-GOEBONIOSA-N 443.460 0.717 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 550979397 XRKPZNDGEGHMQT-UHFFFAOYSA-N 429.484 1.044 30 20 ICED COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)Nc1ccn(CCC#N)n1 551181452 YHGWJFVJEMPTDJ-UHFFFAOYSA-N 448.505 1.459 30 20 ICED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 555896344 NBSHAOKQCBCZNF-ICSRJNTNSA-N 432.484 0.548 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 561129431 VXICXHHLGQXTEP-OAHLLOKOSA-N 427.896 0.891 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 567957172 QDRJIWFLQOOHNP-MRXNPFEDSA-N 444.579 0.542 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568129538 ZUQSVAWZPMCCII-GBESFXJTSA-N 444.488 0.107 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)CC1 568583007 PKLIPWGGTVSSPF-UHFFFAOYSA-N 430.442 0.934 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 575167255 WYDFBKSHCDTPOB-QGZVFWFLSA-N 438.492 0.136 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)c1C#N 580014976 NGUJXYLNJDIOQV-UHFFFAOYSA-N 426.458 0.941 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 609550369 VDWKXYJMCLIOHM-UHFFFAOYSA-N 430.472 0.608 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 610425145 BSHBAECUCAWTEH-QZTJIDSGSA-N 425.489 0.609 30 20 ICED N#Cc1ccc(N2CCC(NS(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)nc1 610784268 XASHSFYKZSAKMG-UHFFFAOYSA-N 449.558 0.820 30 20 ICED CC(C)(CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)NS(C)(=O)=O 611874402 SDSOCOFVGDKCED-UHFFFAOYSA-N 438.897 0.780 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 618640009 JBXDTSLCNZRZBP-UHFFFAOYSA-N 447.520 0.505 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 728531241 DXSHRHPJUKEKRT-UHFFFAOYSA-N 442.335 0.116 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2nc(O)[nH]c2c1 729383318 YVHOKMOFCWNVOC-NSHDSACASA-N 443.441 0.989 30 20 ICED CCc1nc(CN2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 732087513 BIAWJTMQBMQUPD-UHFFFAOYSA-N 446.533 0.795 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)CN1CCOCC1 732466411 NGDOMVLOTDRBML-PNBGARPFSA-N 427.505 0.756 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCc1ccccn1 732563036 QAHHYKYRSYRXKY-UHFFFAOYSA-N 436.541 0.793 30 20 ICED C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 735116934 URZZTFRQXJCEIE-PANRORFQSA-N 437.456 0.628 30 20 ICED C[C@H](CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742625922 XGQNZNZBAMWWKD-WBVHZDCISA-N 448.545 0.744 30 20 ICED C[C@H](CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742633247 LLUNGRAUFCRCEX-TZMCWYRMSA-N 425.532 0.682 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCOCCS(C)(=O)=O)cc1 743113899 JVNBNEWMMRPLGH-CAPFRKAQSA-N 446.551 0.682 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)c1 743919713 LWNHPITXOYUEPO-SAZKUCFMSA-N 433.534 0.791 30 20 ICED COC(=O)CCc1nc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 745497464 UPFLTRZTYCERHW-NSHDSACASA-N 436.446 0.736 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 746529534 BBEHPGNSWWWXMF-UHFFFAOYSA-N 426.454 0.846 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)c1 746789957 LXOHYKKTXXQGSQ-NMWGTECJSA-N 447.561 0.992 30 20 ICED COc1cc(OC)cc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)c1 752627437 RUHNNDYLJADTRZ-OMEIHDDLSA-N 428.445 0.699 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 755552329 NAMWHIQJFHJWCE-IAQYHMDHSA-N 441.444 0.726 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 756836141 SXQVGDBVKFJSCQ-HOCLYGCPSA-N 447.496 0.622 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 757578595 PBKOPNLMTJPXTG-JSGCOSHPSA-N 434.474 0.706 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 765893547 ISMXRYJOSHSMPU-ILWUXDPISA-N 449.533 0.469 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)c2ccncc2C1=O 766376557 ALPHDSVPAMZPPP-LBPRGKRZSA-N 428.426 0.459 30 20 ICED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 766592661 MJZRVUKIUVDYCT-RBUKOAKNSA-N 448.487 0.985 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 768181754 PDBGIDWWYJKWMP-UHFFFAOYSA-N 444.717 0.882 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 768965759 BZZWHDUVHFIGTL-SQQITKIUSA-N 429.524 0.394 30 20 ICED C=CCOc1ccc(/C=C/C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC 786221059 GNAOXBLOGKXUAT-VQHVLOKHSA-N 441.488 0.762 30 20 ICED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 790017654 KSMDDSNOQMRGFN-UHFFFAOYSA-N 442.519 0.203 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 791177817 FPLSEAFAGYEMFV-UHFFFAOYSA-N 441.513 0.778 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCCS1(=O)=O 791789712 SXQWMRCDNTXXPO-MRXNPFEDSA-N 447.469 0.877 30 20 ICED C=CCN1CC[C@H](N(C)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C1=O 799144086 UOHXBRABKBCHPY-HNNXBMFYSA-N 435.525 0.984 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)CC1 806877604 AWHNTPZUVPMNRU-UHFFFAOYSA-N 441.532 0.893 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 808741627 KGTYEOMECSDECA-UHFFFAOYSA-N 449.558 0.921 30 20 ICED Cn1ccnc1[C@@](O)(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 810192775 QYWUPXZFMANEHH-INIZCTEOSA-N 445.423 0.526 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccc(OC)cc1 837970877 HOWYVNVHLRCCFP-UHFFFAOYSA-N 437.525 0.729 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(Cl)c2)c1=O 838173162 JZZUCHVPOXGLJE-ZDUSSCGKSA-N 435.933 0.864 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(=O)NC)c1 918353141 JWRKZLYIQZSCCG-OAHLLOKOSA-N 432.506 0.865 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301766781 JBMIOFFNCQLYIC-DYESRHJHSA-N 428.541 0.523 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1302455897 JRGQNMHEXMKMGE-MRXNPFEDSA-N 429.506 0.465 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CCO1 1303004702 RXPKIWLJODDRJJ-GOEBONIOSA-N 430.490 0.432 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1303405239 MRQUDCUWUAGGSA-DOTOQJQBSA-N 449.581 0.418 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1314531158 MEUYYSBQPVFKAO-UHFFFAOYSA-N 425.536 0.732 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cs1 1321061252 ORMQIHAWHMSSDS-WUKNDPDISA-N 439.519 0.201 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1324683166 ZHUKQHOCXGLUCT-OAHLLOKOSA-N 435.506 0.974 30 20 ICED CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503362621 INVUOJGIKGKSGS-RDJZCZTQSA-N 449.581 0.225 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1noc2c1CCCC2 1510222187 PYCUNQCFOPLDMD-OLZOCXBDSA-N 435.510 0.532 30 20 ICED CCOc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1561765244 ZGUFSKGJMWUBDS-UHFFFAOYSA-N 443.279 0.960 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1611308094 LLIOSEBWNSXMSY-RDJZCZTQSA-N 433.538 0.987 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1612977290 CLZRAGDRFJIMFD-ZMPRRUGASA-N 440.504 0.936 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743883182 QURMBMMLXRRDTC-SJLPKXTDSA-N 442.568 0.995 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1766441783 LHNFWYGTPLYZQB-NQIIRXRSSA-N 444.561 0.897 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1779066221 LASJEVUHDWGKDJ-JOCHJYFZSA-N 430.505 0.571 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779422805 OTBSMFWQENNMBK-HCDYQZRDSA-N 434.497 0.321 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cncnc2C)C1 1779794580 OQDDTKPJDFUXFD-LHTVMBCQSA-N 427.505 0.771 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)ccc1F 1781300146 KPJKAPRGMSAGQV-OAQYLSRUSA-N 441.467 0.403 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1781967049 OIYMEUNNMVPMBF-YLJYHZDGSA-N 435.477 0.718 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782182577 WDRFKDZFIVRTJC-BGIGGGFGSA-N 430.523 0.313 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1784489416 MGYBQXSOOIPPKS-UFYCRDLUSA-N 444.532 0.774 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785571914 HQZYCSQPHYNCEE-BTYIYWSLSA-N 439.509 0.352 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1785572900 SINARGKDBWLAMQ-PMAPCBKXSA-N 447.532 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)c(F)c3)[C@H]2C1 1785633943 ZJERHKIAMXNCNX-QCVNDIHVSA-N 446.479 0.681 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1787412311 ALJRVMFOLDQYQA-DWRORGKVSA-N 443.504 0.364 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788473938 QNRBNRKPFOCIGX-DWRORGKVSA-N 430.461 0.216 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788600917 JSFAEKBSDQMULX-PQMCOJFKSA-N 439.520 0.794 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788614875 JXSCJAIVMNBCSM-ZVZYQTTQSA-N 447.536 0.775 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789250271 KMBMNTNMSYKAPI-USJZOSNVSA-N 436.530 0.747 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793820940 ANEIDMHTSFEEKV-VPTLXERWSA-N 444.557 0.849 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)c1ccccc1 1795359677 RFQIECHXNBFKEU-RCLSDMTESA-N 432.542 0.818 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCSC(=N)N)ccc1F 1795591295 STXRENNRWXFVBQ-CCWDJLKJSA-N 433.509 0.846 30 20 ICED NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)c1ccccc1 1797740957 JASXPOGZCKUOHC-ODMJUCRQSA-N 427.549 0.790 30 20 ICED Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797743025 NOTCLXOUMYTTPY-FRWZUMQFSA-N 430.553 0.951 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1797808814 RNJCDWBFHFCMRV-IGGXQLQOSA-N 437.537 0.904 30 20 ICED CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)o1 1797811387 MRUHQVPPSUVSMF-NLVNUDGLSA-N 435.481 0.473 30 20 ICED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C3)CCC2 1800048011 PEXYLYFXOOUHRX-UHXXWTPBSA-N 445.520 0.641 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1800544600 LQCAUWJJPLBHRW-UJPOAAIJSA-N 430.477 0.590 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778883 VJMUYWLLROLYLI-HGKCTWBKSA-N 449.504 0.311 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803542814 JSMYBPVAZDLXBV-OGWOLHLISA-N 449.471 0.171 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1804191001 SOJTTYVPEBKLDI-XJKSGUPXSA-N 439.394 0.758 30 20 ICED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1807208646 XYWXKVGNBWXWLB-CLOKVKOJSA-N 444.536 0.622 30 20 ICED C[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276034 NQKUETILYLNHQD-MNOVXSKESA-N 432.593 0.799 30 20 ICED CS(=O)(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780520 COHYSGSZWSIPJB-HCZVKUGISA-N 441.579 0.962 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819906246 CZVUSOWJYNOCAQ-HBRIXXQFSA-N 437.522 0.307 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1ON=C(c3ccccc3)O1)CC2 1825666878 KVTVXVKHQUFHBO-CWTRNNRKSA-N 440.437 0.878 30 20 ICED COCCOCCOCCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671365 HACOMKNPSIIDGB-ZDUSSCGKSA-N 439.490 0.213 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(OC)OC)CCN2C(=O)OCc1ccccc1 1828563968 DIHDDLNOMPWQPS-QFIPXVFZSA-N 429.473 0.691 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1 1829901947 FZGNRYGQZCYNTB-QHCPKHFHSA-N 437.500 0.762 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1831217949 FFIBUSCKHQRMLS-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1831392115 BOOUHTLMXJGLAL-OXJNMPFZSA-N 434.518 0.063 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncc(OC)c3)CCO2)C1 1832907984 AVSNOCQFQPEGJD-MBSDFSHPSA-N 445.516 0.518 30 20 ICED Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833908663 PCDYHUQZWFRWHP-VQHJOYQZSA-N 434.493 0.624 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)s1)CCO2 1833951726 IWRFNOWLMYUILA-IZRJCCQOSA-N 433.530 0.985 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncccn2)CCO3)c1 1834295117 CTCDAYCGRPGRSJ-QFIPXVFZSA-N 437.456 0.741 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)n1ccnn1 1834717268 XKJPYAXTOIMCOK-KRWDZBQOSA-N 444.584 0.693 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)(C1)C2 1834767600 VMIVFIUMTCBCPH-LZBANZJXSA-N 448.520 0.804 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835167308 NAZCWWYTNOPBLU-QHCPKHFHSA-N 426.469 0.828 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835412178 WCMBILAIDYRQIE-QHCPKHFHSA-N 440.500 0.559 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)NCc3ccco3)CC2)CC1 1835805198 SCIBWKPWHLYNBR-ONEGZZNKSA-N 427.505 0.937 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836051279 DYASDSRVBMGNGT-FDCKDHBTSA-N 444.536 0.337 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124867 WGCFGZFFEZCEBB-HRAATJIYSA-N 435.477 0.057 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837861164 ZSPIAKCWFISZGW-SFHVURJKSA-N 435.569 0.398 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838077339 HXXGAQGZYXFSPM-IBGZPJMESA-N 429.521 0.222 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1838661548 JVIPLLNYSPTYLI-MFBSEBAMSA-N 435.481 0.317 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838829946 ZXKTZEDOQHFLNA-JOCHJYFZSA-N 448.520 0.928 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839164386 NSKYIMRRNUMMSB-VBKZILBWSA-N 434.880 0.416 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361519 PLEBSYHJXBVQTI-WZONZLPQSA-N 425.485 0.861 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ccc2O)CCO3)c1 1839447866 AYUSMIQBEZTGLE-NRFANRHFSA-N 426.429 0.681 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3C[C@@H]3F)CCO4)c2c1 1839771515 KUZYENPOWDYHTI-WDUKFBBWSA-N 427.436 0.863 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840160853 VFRKESPUYTYEMX-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840199310 WEXHQYPKRQAZEG-WXRQGEQDSA-N 439.534 0.269 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840253312 CVSHGAUYXHUPFG-JOCHJYFZSA-N 431.489 0.972 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1841431321 NGJMDPIONQQWLO-OAHLLOKOSA-N 431.493 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1841857037 XMYYGVFWQMVWFG-XZVRFQMRSA-N 428.533 0.839 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1847082280 NQOIFESTHJRQHR-LRTDBIEQSA-N 431.493 0.535 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)ncn1 1847891930 LBWULMBACBDHQF-BPUTZDHNSA-N 429.477 0.914 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10770736 WGIOJJGJFDUYII-ZDUSSCGKSA-N 427.454 0.781 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sccc2c1=O 36801855 WPTOBOQXKWFMEQ-VIFPVBQESA-N 433.515 0.987 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)cn1C 409841524 GSHAMKBXNZXPNI-UHFFFAOYSA-N 439.501 0.933 30 20 ICED CC(C)OC[C@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433170130 UNMLFRCJORHWLL-SFHVURJKSA-N 438.550 0.109 30 20 ICED CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)nc1 438874095 JMEGKGATMZSHQN-UHFFFAOYSA-N 439.476 1.046 30 20 ICED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 444404306 LVWNVJGWKNNWEU-SFHVURJKSA-N 434.497 0.682 30 20 ICED C=CCNC(=O)Cc1noc(Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 445343109 MDAVFEGRRDXGPV-UHFFFAOYSA-N 436.490 0.535 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 460616900 YAHMDJAESQWVEG-AWEZNQCLSA-N 442.443 1.239 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 465418250 BFUNVMYYFMYEAP-AWEZNQCLSA-N 437.460 0.278 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCc2ccccc2C1=O 467332810 HVJIJHGSWCORMZ-UHFFFAOYSA-N 443.467 1.201 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3C[S@@](C)=O)CC2)c1C#N 472878863 GRNLOGRPOYCFFU-SSEXGKCCSA-N 428.518 0.766 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)n2)c1=O 477457467 ZWVLETMGDNYART-UHFFFAOYSA-N 428.514 0.475 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 484387647 OBHOJGGXMFKMHH-UHFFFAOYSA-N 440.460 0.683 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 488991777 YOMOTWSIOIDSPG-DZGCQCFKSA-N 441.534 0.988 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN(c3c(C#N)cnc4ccccc34)CC2)n(C)c1=O 500608803 YJASALGVFKVDIH-UHFFFAOYSA-N 444.499 0.676 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 503896608 XNOIUJQGAUKFJN-GOSISDBHSA-N 448.526 0.940 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3F)C1)c(=O)n2C 521861905 ACIYGVMQDLLAPK-AWEZNQCLSA-N 439.451 0.230 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 523255660 BDHFSNGZJMAOCI-UHFFFAOYSA-N 436.493 0.866 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CC(N)=O 533040302 QCFHWFLTDUAFIU-UHFFFAOYSA-N 447.520 0.485 30 20 ICED CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 533494901 VVNVQFQGDDIBBK-HNNXBMFYSA-N 447.517 0.964 30 20 ICED CCc1noc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534380875 UBVDWMCYZZBYDP-UHFFFAOYSA-N 431.474 0.889 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CC(N)=O 535584618 AHISUQFDUVGNRK-UHFFFAOYSA-N 442.884 0.576 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCCO1 536086148 BGJXHSGVKAVNRN-INIZCTEOSA-N 427.530 0.501 30 20 ICED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 537497271 QSUASUPWWGITGL-OAHLLOKOSA-N 436.534 0.488 30 20 ICED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538349460 UYRSFCHYIASWHM-PZJWPPBQSA-N 432.496 0.780 30 20 ICED C[C@H](CN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 543073684 CSZHVDYMVLIICQ-BZUAXINKSA-N 446.475 0.973 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)CC1 544859862 MZDMRANZWQZBIA-UHFFFAOYSA-N 440.497 0.004 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 549888322 FMJFRLVDUGSDAN-UHFFFAOYSA-N 434.500 0.884 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 552902814 RBTPRQIUAHYKHE-CZUORRHYSA-N 432.506 0.650 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1ccc(C#N)cc1OC)C2 560195491 DLTDDXUYMXDWJX-UHFFFAOYSA-N 428.470 0.998 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)c1C#N 568037099 BMZHSHCENUMHLY-UHFFFAOYSA-N 442.505 0.086 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 576999421 XMYZPAFQTFMSEC-UHFFFAOYSA-N 428.537 0.607 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCOCC1 580502765 FFCYQFQCOCPEKQ-QGZVFWFLSA-N 425.449 0.077 30 20 ICED N#CCNC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 583998452 UKFUUGJPQJYUFK-JTQLQIEISA-N 449.352 0.810 30 20 ICED COc1ccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1S(N)(=O)=O 584871387 WFOURPIBLWEKNK-UHFFFAOYSA-N 426.458 0.912 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCO[C@@H]2C)O1 587659327 LGIOYIHWCQJKJU-MCFFVMPBSA-N 427.505 0.833 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)ccc1OCC(F)(F)F 608844386 POLMAHSLVOFHAO-UHFFFAOYSA-N 436.350 0.774 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(N)=O 608911882 UTPCMMHRWUXQTK-UHFFFAOYSA-N 442.541 0.058 30 20 ICED CN(CCCNC(=O)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1)S(C)(=O)=O 611552641 GJLWWYSRFPXPPY-GOSISDBHSA-N 425.530 0.406 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C1=O 664851293 RZWBLSHOVSKPAD-UHFFFAOYSA-N 436.490 0.107 30 20 ICED N#C[C@H](C(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1)c1nc(O)c2ccccc2n1 725796491 VSIOVZNIXCWFOQ-MRXNPFEDSA-N 431.456 0.828 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N4CCCC4)nn3)CC2)o1 727874230 GJUOHYJARAHXCU-UHFFFAOYSA-N 425.449 0.751 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 731077443 HZFQVMIXOJLUKM-GFCCVEGCSA-N 437.503 0.964 30 20 ICED C[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC(=O)NC1CC1 733832315 IHLDVJBGESQJCA-IAQYHMDHSA-N 427.417 0.683 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1n[nH]c(CC(=O)OC)n1 735813317 YYMPIXACYKSPNS-GFCCVEGCSA-N 434.478 0.756 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC1 735922902 MHNWDWLLHLTYGA-UHFFFAOYSA-N 425.482 0.448 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 747742190 PRHWBKKMZSVMBY-UHFFFAOYSA-N 434.518 0.254 30 20 ICED COCCN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 754278288 AKDICOPZMBWLDE-LJQANCHMSA-N 439.534 0.536 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 755520593 NBXRUJLSZBEZFH-PGMHBOJBSA-N 435.506 0.129 30 20 ICED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CCOC[C@H]2C#N)c1 757383649 WNZCEASJTWTCRE-SNVBAGLBSA-N 449.270 0.906 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 761031894 DQNPDGMLOIDAHB-MRXNPFEDSA-N 438.550 0.275 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccn(C)c3)c2=O)c1 763460003 CWTCAZQDJJZGPC-UHFFFAOYSA-N 444.516 0.581 30 20 ICED C[C@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O)C1CC1 768752254 WPWMYPLEXYQUHH-MOPGFXCFSA-N 434.449 0.559 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772332613 ULJVONGDPHABES-HNNXBMFYSA-N 425.510 0.514 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[C@@H]1CCCO1 773791262 CJRJDHYFLUVKFE-OALUTQOASA-N 448.545 0.248 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 779370446 PSNQAIGRVZMBEQ-QFIPXVFZSA-N 442.541 0.821 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 784827519 DNJHUUJQPULUKC-INIZCTEOSA-N 447.517 0.803 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC1 787112889 FSGZEMMEKCERHO-FQEVSTJZSA-N 425.533 0.966 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 787775118 APYCAVXMRSVEML-CVEARBPZSA-N 429.502 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800848865 ITGYMXOCXWLIAT-UHFFFAOYSA-N 427.482 0.514 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc2c(c1)CC(=O)N2C 804573039 VKTUOYIJFPALOM-OAHLLOKOSA-N 432.484 0.998 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1O 807385180 NRLYKFVVVFNAAY-UHFFFAOYSA-N 438.487 0.368 30 20 ICED C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431763 ORFVQSTVJHPAQI-IRXDYDNUSA-N 435.550 0.710 30 20 ICED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815871189 DUJQSRSJZOYGEL-USCXLKSCSA-N 435.550 0.991 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1 839094561 GJKNKZDHAFXAOX-UHFFFAOYSA-N 437.525 0.678 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 914634980 OAVTYQIKHZAMNP-YEJXKQKISA-N 428.445 0.929 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCCN3c3ncccn3)CC2)o1 915385680 HODONEZFLOYPEW-KRWDZBQOSA-N 439.476 0.896 30 20 ICED Cn1cc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 916823072 VUUAPCMHSKOENU-UHFFFAOYSA-N 437.503 0.198 30 20 ICED CN(CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccnc1 916965407 LVEQZYISOHBLFB-OAHLLOKOSA-N 430.442 0.821 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 919048930 ZAUZIHVQEZILCA-HNNXBMFYSA-N 435.502 0.272 30 20 ICED CC(C)[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919549302 MXWPLPFPCHGFEY-WBVHZDCISA-N 445.501 0.811 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCN(C)CC2)c1=O 920399033 LGPBSGAPLAMBEI-UHFFFAOYSA-N 442.589 0.555 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1315054072 QHUDWEMHQXWGPL-MRXNPFEDSA-N 432.506 0.488 30 20 ICED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1316366440 LYGXLHWGKGFRCB-JGVYIQDASA-N 428.518 0.951 30 20 ICED COCCn1cc(N2C[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cn1 1358457534 ZRUQCVPMSRSFQH-KRWDZBQOSA-N 437.504 0.934 30 20 ICED CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1359400838 YVHDEXKASRODTR-LJQANCHMSA-N 436.520 0.292 30 20 ICED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 1516676228 WSTDWOKGCMIZOC-IJLUTSLNSA-N 425.488 0.532 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCO1 1517534711 IIFJMHCVYWLUGX-QFBILLFUSA-N 439.520 0.489 30 20 ICED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1517744085 YXFQAQVUWRLDHT-CXAGYDPISA-N 430.506 0.478 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541219087 POJBAWOEFZCMQS-HZPDHXFCSA-N 444.540 0.930 30 20 ICED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555297768 PHGBFHGYBGBLHX-LSDHHAIUSA-N 442.542 0.060 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@@H]1C 1611707539 STXIIJDLJMQXGM-RZLSGREXSA-N 445.553 0.846 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1614346773 JJWUMNXPXSOFIQ-IYOUNJFTSA-N 443.549 0.883 30 20 ICED CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC12COC2 1644411796 JOVKVPSPJORSCW-IAGOWNOFSA-N 432.546 0.968 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1670811274 ZTAITTARURAKOE-UHFFFAOYSA-N 432.424 0.936 30 20 ICED C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1693755576 QVKRDIOWVYARKA-YVSFHVDLSA-N 431.541 0.846 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1731179023 LIVBUGAQUUEWAR-RBUKOAKNSA-N 430.465 0.808 30 20 ICED CCN(CC)C(=O)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1764868116 LGZLXNQOFMVXFI-KDOFPFPSSA-N 443.549 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778710730 KMRWOCHHNKMSMU-HJPURHCSSA-N 441.484 0.838 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CCO2)C1 1778969910 BPLIXXTVWKYESP-HFUQMLBGSA-N 438.550 0.192 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065630 ZQNNQDLRQRFQIJ-HSZRJFAPSA-N 440.500 0.549 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779099497 HTUSWZYOSAYEGX-GOMHLSDKSA-N 446.504 0.992 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779177940 VZBMAOTWRHUPEJ-MGPUTAFESA-N 433.534 0.344 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779233621 WCSVRCZCRLXCOA-VGSWGCGISA-N 432.521 0.708 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779423501 QAPSMYNTXHBAEN-AVCWCNGXSA-N 447.492 0.426 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1780808652 ZIJQVQYXUGXEBM-CBGDNZLLSA-N 433.509 0.558 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141505 FZJXJBDRWDGUMM-JJEOQYAHSA-N 448.564 0.875 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781371975 PHORPZYUVRIXAL-HTAPYJJXSA-N 436.472 0.499 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1782190249 VGUHCUQDGOWMBK-WIYYLYMNSA-N 439.578 0.729 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784993 BLJBWUJRXFUXSU-OAQYLSRUSA-N 448.476 0.569 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783512634 MXHYHRLSDAFLHU-ZHRRBRCNSA-N 443.456 0.219 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783542783 VVWWGRCDFHRJRF-MMRQGHOYSA-N 437.496 0.765 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1783557090 ACKWCUKTDCMENH-IBGZPJMESA-N 435.820 0.709 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1784485221 JCZBZQPBIBOGTP-BVBHFADKSA-N 425.489 0.290 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 1784490050 NNHXYPFBXXUOTP-BZSNNMDCSA-N 432.521 0.963 30 20 ICED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1784511948 NQVASEGMIWHJIZ-UGUYLWEFSA-N 429.539 0.673 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(O)n1 1784592838 GFJLKAILYWNNPK-YCRPNKLZSA-N 441.492 0.597 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786369946 AWKXGZBPVITECV-VIQHNZTISA-N 436.509 0.108 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789391721 ZLGOODAQMJRGOT-DZKIICNBSA-N 432.481 0.798 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C[C@@H]21 1790793543 NTFBTZNJQDDNRF-YKPCMBIXSA-N 447.532 0.624 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]3C2)c1 1790865904 JWQDFZIDBTWFQT-GODCRWGESA-N 428.489 0.685 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21)C(F)(F)F 1790880636 IITGPBCVRSDJHM-SAXRGWBVSA-N 426.457 0.765 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072370 GKYSHTBMVBRBHN-VGWMRTNUSA-N 435.477 0.064 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1793342691 LYMUVJPEEMVIAH-BCEDRHLLSA-N 443.525 0.972 30 20 ICED C=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)N(C)C)C2 1793595135 LPYRPYDDCDNQHX-FZKCQIBNSA-N 438.525 0.134 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794507022 ZILBLACYPCCDSY-VPTLXERWSA-N 427.505 0.187 30 20 ICED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795512775 PKPBCSQNEFHOFK-MCYUEQNJSA-N 425.411 0.770 30 20 ICED 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ICED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 442902119 MPZBSZXENKGRMJ-UHFFFAOYSA-N 434.428 0.746 30 20 ICED CN(CCC#N)S(=O)(=O)NC[C@H](O)COc1ccc(I)cc1 443221569 LSCOGFZAEMQLRJ-LBPRGKRZSA-N 439.275 0.711 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 443855264 PTLQGWJLMBBNFF-ROJAXVNGSA-N 447.513 0.983 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)n1 444505077 CEDSEYZQNCSPNR-UHFFFAOYSA-N 428.518 1.394 30 20 ICED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 469273491 MGOPWEFBOOQHFD-OAHLLOKOSA-N 434.518 0.715 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc1 474210442 KSNIJMDMSPNQHQ-UHFFFAOYSA-N 431.474 0.615 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 475679577 MPLGNEYMLQGTGP-GFCCVEGCSA-N 426.408 0.950 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2C)CC1 480156260 XMUYTHVFBIECAO-UHFFFAOYSA-N 427.486 0.022 30 20 ICED CCNC(=O)CN1CCN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1 481363898 MFRNOLOJDAJLFF-UHFFFAOYSA-N 434.497 0.468 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 483561959 MRCAFFGLPXNNHM-INIZCTEOSA-N 449.533 0.381 30 20 ICED Cc1nn2c(SCC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)n[nH]c2nc1=O 502902736 PDLQDBIXRKKXAA-LBPRGKRZSA-N 430.519 0.684 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCOCC 505655882 CCBPGNBMJSMDRS-UHFFFAOYSA-N 431.562 0.798 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 508942413 OEXSLDCWHHBWIO-UHFFFAOYSA-N 433.468 0.903 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 511899977 APMSOBCYDRBUIT-UHFFFAOYSA-N 438.282 0.321 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)ccc1OCC(F)(F)F 522765647 LTTVQJKISYVPHC-CQSZACIVSA-N 438.366 0.957 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)s1 527030562 NANIRVXENLSFOA-GFCCVEGCSA-N 431.539 0.518 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 539270831 QEZREXDZAOFWFU-CYBMUJFWSA-N 429.470 0.086 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 541411818 QSBBIKUFULLQHH-GJZGRUSLSA-N 438.506 0.356 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544727400 KJKIOWYXHZUYFR-UHFFFAOYSA-N 439.493 0.959 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544867650 SKFFZWFXXHARBZ-UHFFFAOYSA-N 436.472 0.951 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 548289667 SNTJBFZKSIPJRU-KRWDZBQOSA-N 440.521 0.990 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 551367067 YINLCSSICYTNST-OAHLLOKOSA-N 436.490 0.629 30 20 ICED Cc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1S(=O)(=O)NCC#N 552358796 WIFJVPGSFAHQAD-LJQANCHMSA-N 438.575 0.735 30 20 ICED CS(=O)(=O)c1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 573767561 QKURUZHBSFJEMZ-UHFFFAOYSA-N 437.499 0.435 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 574362691 KEHKDUHMDLELBU-OAHLLOKOSA-N 437.522 0.673 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cn1 579517893 YJMVPKGFUAZMSY-LJQANCHMSA-N 435.488 0.252 30 20 ICED C[C@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 581553112 BVRDYZIOGLMZBM-RDTXWAMCSA-N 431.456 0.910 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)nc1 587659318 LAUPSTMELQQHHW-LJQANCHMSA-N 438.532 0.946 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4n3)CC2)c1C#N 588301954 UUUMXPXBZPKLGR-UHFFFAOYSA-N 434.504 0.564 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 588810115 IRYPSPSEVHUYKW-NRFANRHFSA-N 448.527 0.485 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2)n1 588861941 ZNIXOLIRINRSRK-IBGZPJMESA-N 447.499 0.304 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 604269838 FMSSXCWWWMSTSL-UHFFFAOYSA-N 448.495 0.551 30 20 ICED CN(C)CCCN(CCC#N)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 610731032 RMZGOVRTNDDTHJ-UHFFFAOYSA-N 443.508 0.879 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)C1=O 624879796 GQHMJDSUGBKBBD-UHFFFAOYSA-N 434.836 0.728 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 727009868 CBAREPODAYLPHR-UHFFFAOYSA-N 429.454 0.551 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 730274340 CMKRZQFEBBTPMJ-HNNXBMFYSA-N 425.532 0.465 30 20 ICED Cc1noc(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 737278472 LCZMXMGTJUXWNI-JLPGSUDCSA-N 448.505 0.878 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 741344996 WDQDQEQMLAXXJK-VXPUYCOJSA-N 432.502 0.852 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 743424551 SVGDTUVVNMUODR-RELWKKBWSA-N 433.534 0.745 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)cc1 746812539 DWNPKPIXZFZSLO-ZYNBKEAPSA-N 449.533 0.552 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 749666973 OQNKAJFLIBHHKM-UHFFFAOYSA-N 435.912 0.427 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C#N 752395933 OHDCFBIDYMNWOI-CQSZACIVSA-N 437.478 0.605 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755552590 NQBAEXPXWYPGCA-ZFWWWQNUSA-N 445.476 0.869 30 20 ICED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 756845216 WUTJFQCFFLKDJF-UHFFFAOYSA-N 434.478 0.897 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 758049645 JNVJYEXZJMSKBY-ZBFHGGJFSA-N 425.510 0.915 30 20 ICED COCCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758763013 UNTISKLVVUUJIQ-ARFHVFGLSA-N 444.554 0.981 30 20 ICED CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759497091 OJDZLYRWKMTGSZ-STQMWFEESA-N 449.476 0.845 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 767628161 DEUCNZZQMDUMMB-VIFPVBQESA-N 436.368 0.156 30 20 ICED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)[C@H]1CCCO1 774852239 CTJSYZMJQAKRKG-IPMKNSEASA-N 445.516 0.490 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 783346738 HJCAFSPXAIMJLJ-UHFFFAOYSA-N 434.478 0.204 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 783481230 VRNXKJLVYFTKGG-CYBMUJFWSA-N 446.934 0.721 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)[nH]c21 786570976 VUCAEDDNXPBVSU-SNVBAGLBSA-N 430.371 0.598 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 789788016 PCPJOGGIRVOOAW-UHFFFAOYSA-N 447.517 0.394 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccsc1 790433962 ONLZIKOLHBJXAP-UHFFFAOYSA-N 428.539 0.955 30 20 ICED CN(C[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1)S(C)(=O)=O 795652515 KGILMNXNIYQOCJ-UZLBHIALSA-N 433.534 0.886 30 20 ICED CS(=O)(=O)c1ccc(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 803285836 JFYGWCMPWLIMBK-UHFFFAOYSA-N 436.467 0.698 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 810996116 ZFSQZRZKMGTQPU-UHFFFAOYSA-N 425.326 0.444 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 816994022 CCGJFCBCPNSVJJ-SFHVURJKSA-N 436.472 0.772 30 20 ICED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1303014057 OOYCRDNKJGWDKT-UHFFFAOYSA-N 435.554 0.680 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1315754206 JPYOLECLPOOEOZ-LJQANCHMSA-N 440.504 0.964 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)ccc1F 1323642734 VTZIKPJDGBCOIL-UHFFFAOYSA-N 429.473 0.805 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cn1C 1452691999 IZAPQPHCJZMMRP-UHFFFAOYSA-N 430.534 0.659 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1503622772 VFOUEFSHMPUGAU-NDEPHWFRSA-N 436.563 0.713 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1548309379 XJJSDLYHAAAWDE-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1618736406 NOWZPIYNMARMSE-UHFFFAOYSA-N 433.538 0.671 30 20 ICED COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602195 ZCPYWVDHDGYYQQ-IAGOWNOFSA-N 440.508 0.484 30 20 ICED CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706255977 QCZVMOPNUHAYLA-ZWKOTPCHSA-N 431.541 0.600 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCOCC1 1706621925 IOHGZQPGYOLZAS-SFHVURJKSA-N 430.557 0.315 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1708757279 MGIZBAHMRYFJGV-MRXNPFEDSA-N 438.554 0.750 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1726638417 FDTICBQNFDDZAF-BTYIYWSLSA-N 426.477 0.547 30 20 ICED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CCC1 1746491827 WRXHRHCLEZMEEH-KGLIPLIRSA-N 425.559 0.933 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115656 ZJPCUEZWZZSJJK-UZLBHIALSA-N 443.566 0.079 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1778968133 NDGVURCFLVKSGU-VGSWGCGISA-N 430.505 0.214 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779059774 VUVVQTPUDMUWKT-IIBYNOLFSA-N 431.493 0.616 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779363497 AKCCDNZHDXNFHR-UHKKGJDBSA-N 433.553 0.498 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255125 RRSCRYKOPUJBOG-FHJLPGHOSA-N 427.501 0.854 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)N1CCN(C)CC1 1783126716 XASYIXSQECHGOU-YCRNBWNJSA-N 431.581 0.830 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783454905 KDEWSNXBFWCIOS-IIBYNOLFSA-N 433.505 0.476 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)n(-c2cccc(=O)n2C)n1 1783892518 AAVMMQVVMAYGQN-YCRPNKLZSA-N 445.545 0.641 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1784199507 GZTNZYKKGDLACP-FQEVSTJZSA-N 425.551 0.436 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1784519797 IWNUVYBPRGGESL-FCLVOEFKSA-N 433.530 0.832 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705672 XBTYNEYRSXWTOA-QAETUUGQSA-N 438.525 0.546 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c1 1786886005 JZFWGRJQFAJJSA-HAGHYFMRSA-N 441.532 0.063 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1789928031 HOFBOSLWXCLVOW-NXOAAHMSSA-N 438.525 0.546 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618169 WCBBLUJQQXGXAF-UZSDIVCKSA-N 442.560 0.954 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-c4cnccn4)c3)C[C@@H]21 1791078851 BMQOEZYDOUVJLA-BJLQDIEVSA-N 434.452 0.825 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)OC)C1 1792972241 DVDQHRSKHUNHKG-CWLGOENISA-N 436.505 0.675 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1793256748 JBUFNCWDFANPFY-OPMZPASUSA-N 430.526 0.853 30 20 ICED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC3CC3)cnc2s1 1793258594 PBYKHRVXMSCWGU-JLVBRIDZSA-N 426.498 0.681 30 20 ICED COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1794529935 QALWINHWBSJCQN-OZHCATNZSA-N 432.477 0.822 30 20 ICED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795598446 WXQMZNMBZJKSPI-HGKCTWBKSA-N 442.520 0.525 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1795599051 NRWNMYALABPPIQ-HGKCTWBKSA-N 428.537 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(F)cc12 1797477849 PLIWVIORESHJRJ-PKPDMIBBSA-N 441.463 0.764 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742936 KRVNSCLXWJIMSU-AYWDWDCISA-N 429.521 0.910 30 20 ICED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810471 SWNIQMLQGISMHF-NCEYCINPSA-N 438.525 0.411 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)NCc2ccccc2)C3)c1 1798691566 VZEPCJKOGIQUER-WRZYQVLGSA-N 447.495 0.962 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922099 DCPZGXILRJKZIG-YRPNKDGESA-N 443.456 0.256 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2)C(F)(F)F 1800549161 MRVZLVVFCHSGAO-YWVIFJGQSA-N 428.411 0.843 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)cc1 1800987152 JKISJJDUJWSICG-WGVRVLLMSA-N 449.573 1.000 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c(C#N)c1 1801070153 RPEHYLVVWQOBLC-FCQWJQKHSA-N 440.500 0.225 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801372334 DQRUNVAXWJMVOH-HUUJSLGLSA-N 428.533 0.807 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1C#N 1801850183 BIJLHYSNXIGUJC-UPHUGPLXSA-N 425.441 0.637 30 20 ICED 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)C2 1802125026 MQOYEHFNYRYJQM-ZMMAXQRCSA-N 436.553 0.444 30 20 ICED 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[nH]1)C2 1802127973 TXQZCPIHAHJIEC-UMPJEAMMSA-N 447.492 0.235 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803563020 GPVAETUCKNLZML-RADWXHQJSA-N 440.500 0.994 30 20 ICED CSC[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 1804049640 WHAHHWQSDTWLRT-XGUBFFRZSA-N 439.534 0.969 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804093467 AGRRYJGVAHRYDI-IDHHARJASA-N 444.492 0.440 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1813336182 JRLXQTGOXAYYNG-SXLOBPIMSA-N 449.515 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](COC)NC(C)=O)n[nH]1 1819605139 IXUGZZXWVHHZKR-DSPBCKRPSA-N 446.508 0.411 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1820894701 QRTNHOICQQMKCC-ZFWWWQNUSA-N 434.497 0.504 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)no1 1822200468 KJYYRNJOOWZOCE-CYBMUJFWSA-N 428.405 0.815 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828807961 AVDQZVCTZVDOBH-VGOFRKELSA-N 441.488 0.487 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829557874 SEDFMEOHZPWEAF-VLIAUNLRSA-N 437.880 0.549 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209159 SSXQJIVNRKIJQY-WIOPSUGQSA-N 437.540 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832575727 IKBSXIFDZAXVOG-FDDCHVKYSA-N 445.516 0.518 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccnnc5)CCO4)C3)c2c1 1834031150 GYEGBPDDGQSEDH-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(C)nc3)CC2)CC1 1834063263 CVDLWZKRUZYQCH-PLNGDYQASA-N 440.548 0.829 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1834117387 CIODNHQULLVTNF-UKKLRFBMSA-N 432.525 0.270 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256862 VZRQQCATHGQDFJ-FZWCNZJJSA-N 438.506 0.742 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834606091 LQCRTSOPBYLKQV-NRFANRHFSA-N 434.445 0.219 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnn3CCOC)CC2)CC1 1835177625 CWYBWDIGBGWDBG-SFHVURJKSA-N 445.564 0.753 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c(C#N)c1 1835359024 RWHHOFQIPJQDJO-JOCHJYFZSA-N 426.473 0.870 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836866679 JPZCJAKOVMRRAF-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1837312207 XBYJVLMXAVMPOZ-UTKZUKDTSA-N 438.594 0.695 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689443 XXMIAAYOTLFKNQ-HMFYCAOWSA-N 448.520 0.667 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924062 HCHYPZBSNGJSEG-MGPUTAFESA-N 438.912 0.773 30 20 ICED CSc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1O 1838566588 OJFLLCUKWSGYNO-FQEVSTJZSA-N 434.470 0.272 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1838861243 MUFDUUWPDYGOKF-DYRFGFBLSA-N 449.454 0.893 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C)C2)C1 1839173856 QCJKKOCRHJXCKG-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450794 HLRBWNOSJHYZGU-HXOBKFHXSA-N 442.516 0.851 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cocn5)C4)C3)c2c1 1839487424 IBRHBUAHVSKJPL-NRFANRHFSA-N 436.428 0.806 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1)C(F)(F)F 1839655167 IPPVYDOEXRSPLU-MRXNPFEDSA-N 438.472 0.045 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839715368 WAXCJPYWIZOSPD-QUWKVSOCSA-N 449.508 0.177 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)C2)C1 1839805822 RDARIXYHBHAKBW-HOIFWPIMSA-N 435.521 0.864 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410423 FDBIPHFHSGTCOE-OXJNMPFZSA-N 435.481 0.113 30 20 ICED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1=O 11457187 GXITXLUQHRSYIQ-UHFFFAOYSA-N 431.474 0.232 30 20 ICED CCOC(=O)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 15545001 XGSDLOQKTUPRRF-UHFFFAOYSA-N 449.533 0.165 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 109052293 GUSWZFMOBYLFBY-OAHLLOKOSA-N 447.469 0.777 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)NS(=O)(=O)N(C)C[C@H](C)C#N 410401165 KUPUMTPIYOYUSW-PMPSAXMXSA-N 436.604 0.205 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 430398685 YNJWDCQRHMXKQH-UZLBHIALSA-N 433.480 0.973 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c1 435410398 HRVCROKYHHQBKJ-UHFFFAOYSA-N 437.518 0.682 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437041649 XAHRVXKOTVIGOU-QUCCMNQESA-N 444.532 0.785 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 438748748 CPDREZDYTFGTEO-HNNXBMFYSA-N 445.545 0.941 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)CC1 439393930 RGGHNANDYMNJDQ-UHFFFAOYSA-N 444.511 0.333 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 440617668 UNMXNNGEJSZYOH-UHFFFAOYSA-N 434.518 0.386 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 443671621 CQLCGWGGXKHQCE-UHFFFAOYSA-N 433.530 0.774 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 444523928 CNUDUPHIRTXAEL-UHFFFAOYSA-N 425.942 0.437 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 470332512 JJZQEWJQHPYMBP-UHFFFAOYSA-N 445.476 0.924 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 471156125 JIGMVBCZEYFKDP-GJZGRUSLSA-N 438.506 0.422 30 20 ICED CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472859127 WJDLTBHDUVQRJQ-UHFFFAOYSA-N 427.440 0.985 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 477541986 AJCHWJROJORDQW-UHFFFAOYSA-N 428.492 0.925 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCOC2)c1=O 478849029 BFMBLCQBBUPAAG-AWEZNQCLSA-N 427.530 0.505 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C 489227708 QARWOYUNSWLNAL-UHFFFAOYSA-N 439.440 0.322 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 500718298 LDEZXQKYPPJJJE-BTDLBPIBSA-N 434.250 0.754 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 501607994 NQULCYXLZWVQKW-INIZCTEOSA-N 436.534 0.930 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)c3ccco3)CC2)cc1 504006952 QOMGWXFZMAOBRG-UHFFFAOYSA-N 431.474 0.597 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c(=O)n(C)ccc34)CC2)c1C#N 504398180 CORMMRZFPVJURD-UHFFFAOYSA-N 433.472 0.739 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2=O)cc1 505170492 DZZBTOREUXKMGP-QGZVFWFLSA-N 448.418 0.923 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cn1 508404717 MUJXCROYLPDTPC-CQSZACIVSA-N 443.489 0.150 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C(F)(F)F)c1 515513267 CHNIRHQENIFAJL-UHFFFAOYSA-N 430.408 0.689 30 20 ICED COCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCS(=O)(=O)C1 518690718 RVNYDGHFMJBVGH-HNNXBMFYSA-N 429.520 0.073 30 20 ICED COCCN(C(=O)CCC(=O)NC1(C#N)CCC1)c1c(O)nc(=O)n(CC(C)C)c1N 522839432 BVUPRSLMMUUMPW-UHFFFAOYSA-N 434.497 0.509 30 20 ICED N#Cc1cc(I)c(OCC(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 533683847 XVWPBXMFDMMQQT-UHFFFAOYSA-N 430.158 0.408 30 20 ICED CC(C)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 538391146 LRNXVWHHGKFGLT-YLJYHZDGSA-N 433.578 0.930 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 543149295 LRIBCGRUPONTLT-UHFFFAOYSA-N 448.888 0.923 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 553329208 AAVDELKMJJCJIT-UHFFFAOYSA-N 448.589 0.903 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)CC1 553675898 XMKGJVQQIOWMSN-UHFFFAOYSA-N 433.597 0.688 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1N1CCOCC1 554152045 UZQQIDUVKYSSMY-HGHGUNKESA-N 443.523 0.961 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](C)O)cc1 557746886 PSFDYTKVMGWEHX-OXJNMPFZSA-N 443.529 0.638 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 574073121 GXSIZBKLHXOKKE-SPEDKVCISA-N 442.541 0.946 30 20 ICED CC(C)OCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 574791715 UGBTVJCORQSWRX-FQEVSTJZSA-N 441.532 0.739 30 20 ICED COc1cc(NC(=O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 589443555 MLGNCOMWBMLFJK-UHFFFAOYSA-N 432.458 0.609 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 604560712 BNQSIDXCUPXFRN-LJQANCHMSA-N 435.550 0.477 30 20 ICED N#CCCCOc1cccnc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 608883299 HOYVQKDMRWKZAR-UHFFFAOYSA-N 431.430 0.958 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 608889743 XWSKPMKVRHTFKS-HDICACEKSA-N 425.533 0.937 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cnc21 609134513 HXVCJAVIFPCUKZ-UHFFFAOYSA-N 441.473 0.248 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 609940388 FSNFWDLWXTZTRI-UHFFFAOYSA-N 442.501 0.450 30 20 ICED COCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402111 DOPMEFQTGHLPIV-LZICOFPGSA-N 440.547 0.449 30 20 ICED N#Cc1cnn(CCOC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1N 731772422 XOPKEVZQMKPTER-CQSZACIVSA-N 445.457 0.517 30 20 ICED NS(=O)(=O)C[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732092216 IAHQDMXXBUBNSE-ZDUSSCGKSA-N 428.536 0.032 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795499 KLUARRUKQYYPBK-UHFFFAOYSA-N 429.571 0.952 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 737269431 BVLUTRYTFFXSPX-UHFFFAOYSA-N 436.472 0.778 30 20 ICED CCOc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@@H](C)C2 737306704 OKVCPWYHKCVRKH-OUIWWDRTSA-N 428.445 0.990 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(COC)c2)c1=O 743725753 YYFJITHGMDRPMN-UHFFFAOYSA-N 427.526 0.828 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 747279457 XJVIAHWVZSMPRR-UHFFFAOYSA-N 449.758 0.943 30 20 ICED COC(=O)c1cccc(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N 756156975 AWZOKPOJEPVVPP-UHFFFAOYSA-N 425.401 0.225 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 758074517 AHOPVFYZRQXWFY-LJQANCHMSA-N 449.532 0.882 30 20 ICED C#CCCN1CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 762292627 ADWUICHNQBBQES-UHFFFAOYSA-N 432.569 0.961 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767681913 TZJRHKNESTZERL-CHWSQXEVSA-N 444.469 0.894 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CC(N)=O 767892708 VSKDUVIZRIMERM-UHFFFAOYSA-N 443.554 0.291 30 20 ICED C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343285 WPLYEUCZPXBKIY-WBVHZDCISA-N 426.466 0.693 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 786416247 ULCOCHZLLQLNSK-AAEUAGOBSA-N 434.453 0.411 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794599457 ZIRFXTPYOHTDPH-HNNXBMFYSA-N 444.513 0.095 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 799284880 QAQVUMAMNWZNPV-GOSISDBHSA-N 430.505 0.189 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cnn(CCOC)c2)C1=O 799863684 ZLEWSWQCDFMTKQ-INIZCTEOSA-N 444.517 0.896 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccncc1OC[C@H]1CCOC1 807895475 HBMDXPJFUYEISZ-AWEZNQCLSA-N 430.486 0.852 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC 916198050 BKWOHANHIZQVOL-UHFFFAOYSA-N 437.468 0.490 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 916200179 XIRIEKMGOILJRV-UHFFFAOYSA-N 433.917 0.571 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CCOC)CC1 916200244 ZZSIINFUXHMZFB-UHFFFAOYSA-N 440.569 0.532 30 20 ICED O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCN(CC#Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 1094647737 BQTDVOHBVMAAGU-CSGHFTSRSA-N 426.538 0.771 30 20 ICED C[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OCc2ccccc2)C1 1148392922 NTYCLNIWBHRJJU-NRFANRHFSA-N 425.445 0.986 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1293243832 UDIABKPSFMAPOS-KRWDZBQOSA-N 425.493 0.968 30 20 ICED C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1nccs1 1303689891 WFKSYLDOTNQZRQ-JHJVBQTASA-N 425.540 0.877 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1315748447 KWFCNSSTXNHENR-UHFFFAOYSA-N 439.520 0.884 30 20 ICED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 1317718082 LXSMWBOQXJDGLJ-OAHLLOKOSA-N 427.596 0.888 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1322455634 KBWXEPFUMBTIIU-UHFFFAOYSA-N 431.521 0.973 30 20 ICED Cc1ccc(C(=O)NCC(=O)NCC#CCNC(=O)CNC(=O)c2ccc(C)s2)s1 1324121381 OWVFCLJOFHISMS-UHFFFAOYSA-N 446.554 0.822 30 20 ICED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)CC1CC1 1335588581 JNYVKDIWXIVBLH-UHFFFAOYSA-N 435.546 0.882 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344549758 UBFABBSQNLLMSV-SFHVURJKSA-N 427.505 0.160 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359143043 SOOVFZLZWQGHTH-TUAOUCFPSA-N 427.980 0.899 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CCc2cn[nH]c2)C1 1519549339 VJUQIYGCZCCCLZ-QGZVFWFLSA-N 448.553 0.707 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1611707261 NVUURSDMNQSEAW-AXHNFQJDSA-N 437.570 0.226 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCO1 1706050046 NSBQLZDCCJSOKJ-OALUTQOASA-N 426.477 0.573 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1748289644 MXJGVTODDAHTJM-OAHLLOKOSA-N 440.489 0.420 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1751095813 ZQSPJLXWGHNXDS-KGLIPLIRSA-N 429.568 0.886 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1768453185 VRDVLDVBNSWWFM-HNNXBMFYSA-N 447.521 0.012 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951936 OFHSBMMOTDWHQQ-CMEFWWCBSA-N 442.476 0.702 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nc[nH]c3[N+](=O)[O-])C2)c1 1778062157 JXFXGPSJNGJFIV-AUUYWEPGSA-N 427.421 0.959 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779106269 ZKJVPCCMFNXQIG-IOFJYKPDSA-N 432.477 0.207 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779106749 UQAHATCZZDWORE-CFFCXZSUSA-N 435.481 0.401 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962250 SWHCXNYFJAABEY-UZWDYZERSA-N 442.476 0.702 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)c1 1780091489 ULAQFJFKKGPROO-GEQKSPFYSA-N 440.500 0.830 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1780176301 ZTNUVAWDWGPCDE-CHFIUFFRSA-N 438.484 0.845 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781759604 WCUDZFAXLTZJGB-QFIPXVFZSA-N 427.505 0.511 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1782013560 VNGNBXZUWHVMHR-XMSQKQJNSA-N 437.456 0.483 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729659 HPUKASWWHPZECV-YKSBVNFPSA-N 442.560 0.786 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1782763906 LNUIEVGEJPUMOL-SPLOXXLWSA-N 434.460 0.731 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1782801125 PUZZUCDTHMEESH-RPWUZVMVSA-N 441.528 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21 1783530983 BAFAKKABWLJPHC-UOSUDSKPSA-N 437.500 0.966 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783552599 KAUHGPVPRBUURQ-ZHRRBRCNSA-N 449.504 0.551 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)c(O)c3)[C@H]2C1 1783783251 PKRLADUARAWMJT-NKMKZGIRSA-N 430.501 0.961 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784482271 JPTVCBBKLKJHPR-OTRWWLKZSA-N 427.461 0.067 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788575028 RUEQKRDXGJTJJO-LAQRGFTBSA-N 432.521 0.832 30 20 ICED Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658331 JHQYWCKAXUOZSK-PBSGZKCJSA-N 431.493 0.907 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1788661396 PJKRJHVQBGXYBB-GAUJNPPTSA-N 443.504 0.999 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1790831267 SJIKIJOFRTZYGT-CVYDXHPNSA-N 432.477 0.948 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C[C@@H]21 1791076695 DOAMSENXUKGECI-JVPBZIDWSA-N 449.463 0.325 30 20 ICED 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 1792258778 QIBDCZCBLDAUEC-KANFNMMFSA-N 448.564 0.444 30 20 ICED 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)C1)C2 1793600102 TVDBUWLEJMFJFE-XMTFNYHQSA-N 436.553 0.607 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(CC)c1I 1795906961 IUTGLQNSZBNRIF-WDAIWFPHSA-N 442.257 0.413 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797699742 FSDVSGGDYXCNLB-DQEVTTJGSA-N 427.505 0.778 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1797729843 QPZAXHGWKAPUQT-CWPLJXCYSA-N 448.596 0.179 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466794 SOUXTHPGKNIQQZ-HGKCTWBKSA-N 425.489 0.728 30 20 ICED 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]1[C@H]2COC[C@H]21 1801600788 BJAIZXFIRUEUND-XJBBOAPUSA-N 449.548 0.938 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804187684 OPEVRVZFLOJQFF-BEFAXECRSA-N 435.444 0.153 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1814063626 LTKCRLKOMNRSBP-HTAPYJJXSA-N 446.467 0.914 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1814979801 OHFIFYRRAKENCE-NSHDSACASA-N 445.553 0.670 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NS(=O)(=O)CC)n[nH]1 1815163634 GCVBAJKWDWAGJW-FMKPAKJESA-N 439.538 0.768 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)ON=C(C)C)CC2 1819470438 FUWVZZGTGLWUIV-XMZIXOGTSA-N 441.510 0.921 30 20 ICED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN(CCO)CCO)[nH]n2)cc1 1820551688 VNDIBHXCQYSJHC-IBGZPJMESA-N 440.504 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCS2(=O)=O)n[nH]1 1821829919 CDAMOSREGLCCMR-LWULTOEVSA-N 449.533 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)n3ccnn3)sc2C1 1824676655 HGDNSZSZEJUBRL-ZSBJFDRYSA-N 429.506 0.766 30 20 ICED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1829225399 FPLBBSMSCRXYJA-VGSWGCGISA-N 441.488 0.487 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829802967 BJRMCEKHUWRLMD-WZONZLPQSA-N 426.517 0.861 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(F)cccc1Cl)CCO2 1830289829 MKUVLIUMISEUPB-HXUWFJFHSA-N 438.839 0.566 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469553 BLJZJHDJWRAQMJ-AOMKIAJQSA-N 447.919 0.673 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(C)c3)C2)C1 1831387194 LVIPNORQHYICNN-XXBNENTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc([Si](C)(C)C)c3)C2)C1 1831396328 JNZYTZVLLUOMFV-VGOFRKELSA-N 448.592 0.933 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831449367 KOMZIIUKEXLUMH-LJQANCHMSA-N 425.507 0.043 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)n2cnnn2)CC1 1832283209 CGXOOBGIUNXSGK-UGKULVSSSA-N 429.525 0.712 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471345 DYEXAHGXYMCYGR-HSZRJFAPSA-N 437.452 0.207 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(O)n1 1833699930 IDEMDIWBWXVSOK-XAEMIUIASA-N 445.516 0.747 30 20 ICED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1834510063 XJSJRRMBVRIZSA-UHFFFAOYSA-N 427.501 0.897 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834760144 HSQZUNNPYDKEQN-HXUWFJFHSA-N 439.415 0.966 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1837311744 MWLKBZZQQYZMLQ-DBXWQHBBSA-N 440.562 0.788 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cccn1 1837493536 JJXHGWCYUDEFOK-CVDCTZTESA-N 444.532 0.599 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837837734 KTSIHCNBDJXUKQ-YWZLYKJASA-N 438.912 0.773 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033196 AKZFPNRHEOVUPR-LIRRHRJNSA-N 428.436 0.939 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546329 CWGYLICKLNZYLU-QFIPXVFZSA-N 431.489 0.822 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccn1 1838722339 ANXJVHKLJQGIAD-JLTOFOAXSA-N 437.518 0.647 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838735924 BHZZPPNLXFPYGU-FQEVSTJZSA-N 427.465 0.443 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1839176149 YHCACZOFRWZOEU-QFIPXVFZSA-N 438.521 0.911 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186041 WSHQVNSSXYEDAU-OYHNWAKOSA-N 446.479 0.208 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839225441 JURMTRIEYJINQD-IERDGZPVSA-N 444.492 0.600 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cnnn1 1839363945 FGJCPFULFQKFQX-HRAATJIYSA-N 439.476 0.070 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)c1 1839420628 URPBIPLLUIUUFK-OAQYLSRUSA-N 425.420 0.871 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839846586 XXWMZHSLISEHFX-UGKGYDQZSA-N 442.553 0.725 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1839890855 XQKBVIJJVAEQEJ-ZWKOTPCHSA-N 434.436 0.270 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009830 WUBGAGXYKYWRAP-MQNAVGNWSA-N 447.532 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(F)cc3F)C2)C1 1840043682 OSDKAIDEVJFANU-IBGZPJMESA-N 442.802 0.776 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840161582 UQEKTSCDJVJLJL-KPZWWZAWSA-N 431.461 0.632 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840234323 WPMNBHUWQGUEBR-WZONZLPQSA-N 440.500 0.463 30 20 ICED O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827038 QHOWVPOHCMKWKW-UHFFFAOYSA-N 438.252 0.651 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 61998560 CNCIKRNVHRDGGM-UHFFFAOYSA-N 442.497 0.975 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 409583711 HNIFIUBGAPPTTR-UHFFFAOYSA-N 440.522 0.568 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 410197078 CNHNEQCUFSCZPL-UHFFFAOYSA-N 439.582 0.856 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 441628950 UPIIMMUZEKRCDL-QGZVFWFLSA-N 425.420 0.355 30 20 ICED Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 443269878 CIGLQHBCRLGQOL-OAHLLOKOSA-N 448.487 0.862 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccn1 460572489 HLIDZGVXNSRUPC-UHFFFAOYSA-N 432.488 1.371 30 20 ICED C[C@H](CO)N1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 469867102 SVTAKRLIRZMVSC-QGZVFWFLSA-N 442.520 0.843 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491040211 VQTBKJAMKFDLFC-HNNXBMFYSA-N 439.476 0.232 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 495386094 RTHTZTYNDNLJLU-GOSISDBHSA-N 435.488 0.909 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)cc1 501587606 XBTLJLPWWOZFDS-NRFANRHFSA-N 439.560 0.820 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 503585837 RSERCOOENNUAJU-UHFFFAOYSA-N 449.514 0.803 30 20 ICED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508808694 HTLOIEJWGUMRTE-UHFFFAOYSA-N 439.480 0.484 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1=O 513909878 STWTVNHPDCSXHE-UHFFFAOYSA-N 432.458 0.542 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O 514228683 IUSVKMCNOCYDHN-AWEZNQCLSA-N 440.481 0.980 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)c1 515685687 KTUSEIUKECNVLO-UHFFFAOYSA-N 426.542 0.513 30 20 ICED CC(=O)NCC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 517858689 CEBHWCPQJJJLON-UHFFFAOYSA-N 447.561 0.239 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 519764375 HVKNFTRVQYGNLG-UHFFFAOYSA-N 434.522 0.828 30 20 ICED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 531257107 ZPUXBFYDQXKUOY-IBGZPJMESA-N 443.529 0.508 30 20 ICED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)O1 541131173 IOPKLQRDLJFDBR-CZUORRHYSA-N 428.424 0.574 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)n1 546689118 PUGZGCICXGQCBO-UHFFFAOYSA-N 438.488 1.237 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 547329061 RLCVLUVIEZXSBC-UHFFFAOYSA-N 430.917 0.482 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)cs1 550585152 PUTYRIZWWOPHIT-UHFFFAOYSA-N 433.515 0.473 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2C)no1 550810622 KOLCPUFDTJXFCD-QGZVFWFLSA-N 449.475 0.501 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c(F)c1 553210423 ADKOPFPYMOBYQT-UHFFFAOYSA-N 449.464 0.473 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CC(N)=O 554522839 WAAPKWYNCJAPAV-GFCCVEGCSA-N 443.525 0.839 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)c(F)c1 556259652 KUYPZCFEBTUKQM-UHFFFAOYSA-N 444.488 0.936 30 20 ICED N#CCNC(=O)CNC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 557795303 SYVVYUCOHKKVAK-UHFFFAOYSA-N 433.465 0.743 30 20 ICED CCNC(=O)C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 572155633 NTHDUWPBARBDQD-QGZVFWFLSA-N 425.489 0.198 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 576072530 MDFHSLWRDRKHIS-QZTJIDSGSA-N 437.504 0.092 30 20 ICED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576735059 JTHVAMCUUDSVAJ-ROUUACIJSA-N 425.489 0.245 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 577978557 BOZXBNSHTPDNPN-LJQANCHMSA-N 440.500 0.825 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 578554524 ROVDNLJRSVYVHT-INIZCTEOSA-N 440.570 0.623 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2=O)cc1 588865204 ZSALCHFMFHMWTD-PMACEKPBSA-N 439.516 0.493 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1 604497891 HWXLPUAYWMKNHG-UHFFFAOYSA-N 441.513 0.527 30 20 ICED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 609340802 KBBZNARNMHGNRT-UHFFFAOYSA-N 426.521 0.507 30 20 ICED CS(=O)(=O)c1n[nH]c(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 725894214 UGQYOKLAWORFTQ-UHFFFAOYSA-N 440.507 0.446 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1=O 726041994 AZACOLSWJXEUFH-HNNXBMFYSA-N 433.392 0.246 30 20 ICED CCCCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C1=O 732907749 CTVATYYQYPIPNO-INIZCTEOSA-N 431.470 0.662 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745385998 BKMLWAGUASCHAZ-JWCWZOIMSA-N 442.472 0.903 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 750300861 KMYYPYNTHDVDGI-QOBDKFOYSA-N 443.551 0.655 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1 767110552 XCCRKOOIHWWGTG-UHFFFAOYSA-N 429.454 0.594 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c3ccsc3)c2=O)cn1 772329395 JGDOWUBDWYHNIF-CYBMUJFWSA-N 441.538 0.912 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776753232 DSWWNVCMCFQJDY-UHFFFAOYSA-N 426.882 0.278 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 777836149 GAYGEKAQMFGPGD-MRXNPFEDSA-N 442.497 0.961 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 779622940 JMGOECPNGVKCQE-VRTBNJGNSA-N 432.502 0.737 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 783454362 CBVNNFLRFFHPOM-UHFFFAOYSA-N 447.451 0.755 30 20 ICED CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785083184 CSHZNCBDIMMEIB-OQKWZONESA-N 447.521 0.615 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CN(Cc2ccccc2)CCO1 787776290 HEPNLFIWYFHDPK-FXAWDEMLSA-N 436.516 0.887 30 20 ICED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 807824930 GPRIKWPSYLDDBU-CYBMUJFWSA-N 433.513 0.628 30 20 ICED N#Cc1nc(F)ccc1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 808047264 VADZYYAZIKHXOF-SFHVURJKSA-N 426.404 0.982 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 814334792 NXMQTOGZCHNGOH-ZIAGYGMSSA-N 427.548 0.787 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)cc1 834845942 JYYRQWGKJWEHIU-UHFFFAOYSA-N 439.490 0.608 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917763593 RZCHIBKDQADNQC-UHFFFAOYSA-N 429.546 0.703 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116392528 ZQCTWNJPFMMHBP-ZDUSSCGKSA-N 429.473 0.345 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1=O 1189987785 PIFGJNCUTXZFRW-ZIAGYGMSSA-N 447.435 0.933 30 20 ICED CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1287097863 YAHJCZMPBNCSHR-MRXNPFEDSA-N 440.570 0.902 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1292122844 YTTYUMIAWPDCLO-REDKUUPNSA-N 445.568 0.913 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1315937332 VXMJNJAHYAXSBH-CRAIPNDOSA-N 448.549 0.948 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H](C)O)cc3)CC2)c1C#N 1353658704 YOKKSMUGSIKLES-ZDUSSCGKSA-N 449.558 0.945 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1509683464 HYLVCJUSPLGTPV-GOSISDBHSA-N 444.584 0.704 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1728682361 IONSQFBQAGQOQC-QGZVFWFLSA-N 445.549 0.813 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760379575 YMEONSLOKPSLQY-UHFFFAOYSA-N 444.927 0.974 30 20 ICED CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1769362721 RWELCSYRLIMUML-ZIAGYGMSSA-N 438.485 0.835 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779197942 RIVGAWJIESPMJD-NVALYEJGSA-N 427.498 0.156 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779331270 WFAIGQPAKFQKAM-SEPYTNNBSA-N 447.532 0.389 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446279 BKRSVJYGRJPHDH-LXYDUGDFSA-N 449.504 0.828 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779554849 VIXCUAOOIPQBSO-TVKQPGBESA-N 429.583 0.606 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)cn2[nH]cnc(=O)c12 1780018320 OTXLQXNZYWBUON-WZONZLPQSA-N 437.500 0.872 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1780057969 XQTKOLYZKQUXPF-AUSIDOKSSA-N 443.548 0.795 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1780169050 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CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)c1 1785584945 AKJBDWZWJRLXQB-SNRMKQJTSA-N 431.514 0.492 30 20 ICED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786364437 USAHTWMWMVUKFI-IMPIEMTGSA-N 438.525 0.808 30 20 ICED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788743449 WJOLNSGAJUXSEZ-DLZZQEDASA-N 432.521 0.983 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c1Cl 1789268117 RVYUFHSYUVWNSH-HJWJTTGWSA-N 447.923 0.398 30 20 ICED O=C(CCc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791661216 RVVJYRVOEYNLBI-NPDXQQHJSA-N 445.520 0.918 30 20 ICED O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791709284 DDBXYICJNXYQHK-UTLXEPKTSA-N 446.504 0.838 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@H]2C1 1791806448 LGMQNMVPGXSDOU-NWLGSOQUSA-N 432.565 0.697 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1792148811 ZJFYKGIZBSBZCY-BJLQDIEVSA-N 438.488 0.599 30 20 ICED O=C(CCN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1792311818 MWBJEOFMKKFQTI-SLJHHOFSSA-N 436.553 0.981 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1793361684 ONCARVNKPARKMJ-ROPHOZQPSA-N 429.517 0.906 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)o1 1795791116 HMCHBENXGNMBFY-HBCWATKFSA-N 435.444 0.572 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)cc1 1795847127 HGLJXKPSCSTUJY-RMFSNUHRSA-N 436.468 0.979 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)cc(C(F)(F)F)c1 1796342597 NKRSJOLRAMKEJO-XRGAULLZSA-N 425.411 0.066 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c2c1CCC2 1797048095 DRJBAWKBAWETML-KXJCPHRKSA-N 428.537 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797710243 IYEOZSIFWATCDX-YXPYIKCWSA-N 431.468 0.645 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)n1ccccc1=O 1797742071 JPOUWEMDSGXVON-HMWYJALPSA-N 429.521 0.471 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)ccc1F 1799327225 ILSQAFKJIVLTCQ-RACNMONISA-N 428.464 0.356 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799640876 ATNAENQLRQOVIW-FZDIXFNVSA-N 448.545 0.284 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n2ccnc2n1 1799988225 GZHNGQXAWPSFOW-MVJTYMMSSA-N 427.505 0.814 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)OC(=O)OCC 1800231595 WCEUBKDLLBTTLH-PNBKFKSVSA-N 426.466 0.647 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@H]2C[C@H]21 1800778553 HKRJSBCYLRUSFE-OUSZYSOSSA-N 447.488 0.062 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1806365578 GCJLTNUXWAWIEC-IRXDYDNUSA-N 437.585 0.973 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806839900 ATVJEQIEJJSWKC-PVAVHDDUSA-N 433.534 0.719 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]1c1cccnc1 1810188367 ONBFMRIBOGOHHP-BLLLJJGKSA-N 427.335 0.281 30 20 ICED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(=O)O 1810285153 YJWJAGMXJWODGB-VZCSLHMMSA-N 444.536 0.622 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc3c(c2)CCNCC3)[C@H]1c1cccnc1 1812881428 XIPVWHQXJYSFBX-JPYJTQIMSA-N 447.495 0.572 30 20 ICED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822386843 QPUWXUQRDMGWLA-QGZVFWFLSA-N 435.550 0.936 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758042 RJXSWYGCWPYCGV-YJYMSZOUSA-N 439.538 0.223 30 20 ICED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1829899124 UMWODNMBXJMEAG-QHCPKHFHSA-N 427.501 0.984 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1830061730 UMVZVRNEGDJGBS-QFIPXVFZSA-N 439.472 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccc(OC)cc3)CCO2)C1 1830211769 OXSKCJGBHYQYFF-DHJUGAMNSA-N 446.500 0.223 30 20 ICED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830525510 APOXADPFGFGKNK-UTKZUKDTSA-N 427.461 0.275 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1830636586 LVUOEKVQBMKAFB-QFIPXVFZSA-N 432.521 0.819 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966047 FEGRRBFTPMDQLP-VIZCCBKPSA-N 447.492 0.005 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1831402191 QCJSJQQPGMJUAG-GKAYAJSDSA-N 448.516 0.237 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831485153 QBEDDTCQYYRTBC-CTNGQTDRSA-N 447.561 0.842 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831492533 KWGFTFOHLDPWBV-XJKSGUPXSA-N 442.456 0.503 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831686747 FIBCAOUFACJGGL-JOCHJYFZSA-N 439.553 0.588 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833643141 NHYZAUDZQDSVCF-VGOFRKELSA-N 430.505 0.256 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834236125 QEROWNFPBFISLV-JLELOPKESA-N 435.481 0.019 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c1 1834448263 MUMUHMHXEXJJFI-NRFANRHFSA-N 427.436 0.815 30 20 ICED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834713467 OOFMVRCZSLTDGJ-SFHVURJKSA-N 440.378 0.631 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111177 AGJLIYSGFHKFLY-CXAGYDPISA-N 434.566 0.664 30 20 ICED C=CC[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1835556197 XYSOTJDTKVREMC-IIBYNOLFSA-N 440.541 0.261 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836042163 RPQDLZCHIZKVTA-JOCHJYFZSA-N 447.557 0.841 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1836304947 RQYFAOGWBBRFEI-HXUWFJFHSA-N 428.424 0.508 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837174776 FYSUQUKYDNFAQK-CQSZACIVSA-N 428.489 0.625 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268054 BINUNIGNZGZWME-OAQYLSRUSA-N 434.541 0.768 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837396866 NWFRWSAUHHPDAZ-GCJKJVERSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1837398478 BMZGNEIRRWIBHP-AVRDEDQJSA-N 434.537 0.855 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837433948 PLWWMXCJCIXJMV-HSZRJFAPSA-N 440.500 0.776 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837482768 CZCPQGOIPXZGTN-QVKFZJNVSA-N 439.476 0.247 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837806108 SXRLSGVWCSCNDO-LWOHLBADSA-N 429.477 0.809 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CC1 1838039083 KKLYNNIBRQTJFD-UHFFFAOYSA-N 428.489 0.989 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)cc1 1838951946 QGWBENXMJLRDHO-QHCPKHFHSA-N 446.467 0.985 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc([N+](=O)[O-])c1OC 1839471637 IKHIZKLTVXBEBP-HXUWFJFHSA-N 448.432 0.596 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ncon5)C4)C3)c2c1 1839488563 YWQGMLLCRHJRJH-HXUWFJFHSA-N 437.416 0.201 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839498579 FEZHNMXEDDZJLH-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1)C(F)(F)F 1839894162 LZWFJKNHMOMHFF-GOSISDBHSA-N 444.410 0.854 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(NC(=O)OC(C)(C)C)(C1)C3)CCO2 1840003959 SHCREIVMTQEQDC-LZBANZJXSA-N 433.505 0.523 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccccc12 1840042861 RBLKNZYZCLJSRF-HSZRJFAPSA-N 437.452 0.701 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840167728 JDIXZSBZHKREKH-QPPBQGQZSA-N 425.529 0.961 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840199308 WEXHQYPKRQAZEG-MKMCAPMPSA-N 439.534 0.269 30 20 ICED O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840589125 ZSBUEDOAQWBEMF-OIUBOPETSA-N 433.505 0.972 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 16163037 YYDOEJOEODFESA-LLVKDONJSA-N 430.446 0.008 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 409484580 KTHGKZVHNFBTLF-QZTJIDSGSA-N 432.587 0.683 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 443473880 MHFBYLPHBLBOTD-AWEZNQCLSA-N 448.364 0.814 30 20 ICED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)no1 471795311 ZPDAJSVNRBHNAY-UHFFFAOYSA-N 434.434 0.708 30 20 ICED CCCn1c(=O)nc(O)c2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cnc21 473004971 YMDNYNJHALLBEC-UHFFFAOYSA-N 436.476 0.783 30 20 ICED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 477451481 BCVYLKLZPAVNPB-CQSZACIVSA-N 432.554 0.623 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(F)c(C)c2)c1=O 488139092 BSILBOXSMMDHBV-UHFFFAOYSA-N 449.529 0.137 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C 488268215 BIXYFOVXCGFCQF-UHFFFAOYSA-N 431.514 0.428 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 502181443 RGYNAUROLYSAQN-UHFFFAOYSA-N 441.554 0.908 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 505700223 NVOQMEYQZOYMDA-UHFFFAOYSA-N 435.509 0.731 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 507492236 OMDPXHYFRHIHCM-UHFFFAOYSA-N 444.517 0.381 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 508225203 LIQLJWCVMMERNC-HNNXBMFYSA-N 431.478 0.008 30 20 ICED COC(=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 539381285 QJCIDTVIOHOQNJ-QAPCUYQASA-N 441.488 0.859 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2O1 545497838 UEZDHJLPXPKNMR-GOSISDBHSA-N 435.440 0.569 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c1 553772697 JIPZKNHMTDCNCD-UHFFFAOYSA-N 445.500 0.695 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 561147608 FURYIZRUBNXENS-ZWKOTPCHSA-N 429.496 0.573 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nc1 567528799 PUHORJCEQHPPBG-UHFFFAOYSA-N 443.485 0.413 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 571024857 IJJKRHMXPBNYKW-UHFFFAOYSA-N 432.510 1.140 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2=O)cc1 575155593 RFQQEVDNFPKCLU-MRXNPFEDSA-N 437.422 0.876 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 578995950 BPEBZRURXULHOQ-UHFFFAOYSA-N 444.536 0.279 30 20 ICED CCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 588866068 IXJVILAUQSGZMO-SFHVURJKSA-N 425.489 0.641 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603989176 UKYSWILAKYGZFD-UHFFFAOYSA-N 448.526 0.897 30 20 ICED C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609888591 AAOQIEJUWFTUJP-GJZGRUSLSA-N 439.559 0.993 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(N5CCOCC5)ncn4)CC3)C2=O)cc1 610008987 QYQFAVCROIGZIO-LJQANCHMSA-N 447.499 0.639 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 610374432 LWNOCTQOTMGVLA-UHFFFAOYSA-N 433.412 0.466 30 20 ICED N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 615647329 UTLFRQGAUYTWKP-QGZVFWFLSA-N 425.442 0.365 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(OC)CCOCC2)cc1 676624006 VOYWBUUNBVFIBX-UHFFFAOYSA-N 425.507 0.743 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 730099059 YPFFUMPEPLBRMC-BRWVUGGUSA-N 433.534 0.591 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465913 JMARGQGNCJUVGJ-MSUUIHNZSA-N 425.449 0.782 30 20 ICED NC(=O)c1ccccc1N1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 732565013 XARXETOCXXEDDH-AWEZNQCLSA-N 441.513 0.609 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 735593811 JYHQLUIAAPEUFQ-IRXDYDNUSA-N 436.534 0.411 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCC1=O 739115737 DEUODUNGQKFEMJ-TYIKUYDASA-N 435.506 0.175 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 753891371 KFRLJPSEDMJINO-SFHVURJKSA-N 434.500 0.834 30 20 ICED CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757151818 UKBKDUSFOIQXAZ-AWEZNQCLSA-N 430.490 0.881 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N1c1cnn(C)c1 758547001 YKLLGCGNPMCZJA-LUYZLQTOSA-N 431.497 0.972 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 762549863 QXKUOAMAHJIDBC-UBJVEFMGSA-N 449.533 0.565 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCCSC 767883424 IBZUUNNZLOZRPB-UHFFFAOYSA-N 438.600 0.775 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1cc[nH]n1 770825520 XEDLHPAECDMQMT-UHFFFAOYSA-N 431.424 0.817 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 780055067 JLARATGSSLUYMB-HUUCEWRRSA-N 438.506 0.521 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCS(=O)(=O)C1 783480701 SNESEFPUAFGONJ-AWEZNQCLSA-N 445.888 0.985 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(Cl)c1OCCOC)[C@@H]1CCS(=O)(=O)C1 783481199 OTNRVIHUQNISAI-CYBMUJFWSA-N 428.894 0.953 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 790255773 UZFOCVXEAJDGJC-QGZVFWFLSA-N 425.493 0.067 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 810458117 NYSVLEJPSFFNBV-GFCCVEGCSA-N 449.393 0.995 30 20 ICED O=C1CN(Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)CCN1 812567836 KMMPNQPXMUOMIL-UHFFFAOYSA-N 427.486 0.296 30 20 ICED CCS(=O)(=O)N1CCC(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 849081647 HZNQCUQVOXVDIL-INIZCTEOSA-N 429.587 0.929 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC2)o1 915372726 PBZGKVKYHVDZMN-UHFFFAOYSA-N 443.372 0.997 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnn(C)c1 916821708 RHVDMSNLIVOKTN-CQSZACIVSA-N 439.519 0.378 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)ccc1OC(F)F 918729694 GRQUOBPFAJFZDO-UHFFFAOYSA-N 434.424 0.635 30 20 ICED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1288652350 PRFAXHTUSQTLOW-DOTOQJQBSA-N 439.586 0.691 30 20 ICED Cc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1318352693 GFPIDZLFUOBCHK-UHFFFAOYSA-N 434.518 0.508 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1318593294 LRDAHOLAUQAJCX-QZQOTICOSA-N 427.461 0.812 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359143283 XJWXWZZUVHAGBA-DGCLKSJQSA-N 431.950 0.681 30 20 ICED CN(C)c1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1503393566 YHVUWZRXBQFSMC-CABCVRRESA-N 431.522 0.418 30 20 ICED Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1542659807 LPVWJAIOELBCIC-MSOLQXFVSA-N 446.533 0.697 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1552890673 IUXAROKGIZYRFJ-MRXNPFEDSA-N 444.521 0.137 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1618829672 KRTBMGHYGPHTJN-UHFFFAOYSA-N 446.537 0.170 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)cnc21 1663716114 YXKKVDJKOOVOQQ-UHFFFAOYSA-N 426.458 0.417 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706870791 IJNUPKNXSKQWQK-WBMJQRKESA-N 448.546 0.155 30 20 ICED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1707794972 QYKNIWBDDTZQRT-PBHICJAKSA-N 448.553 0.691 30 20 ICED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1711283611 PXKGYVLVIXGABE-UHFFFAOYSA-N 441.521 0.465 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727293582 QRERVCGCPZQWFH-RDJZCZTQSA-N 436.582 0.908 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741056683 SXUIIJAKZMXNMS-FQEVSTJZSA-N 434.504 0.710 30 20 ICED COCCN(CCC#N)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1749832958 XYPCWLSNQUOVLA-UHFFFAOYSA-N 448.549 0.570 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778447685 NZWGFABQCGAWFU-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102349 HAEUJXIUPAQTEA-FTRGIBNQSA-N 434.497 0.273 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105598 FRCJOEWANUHALR-PBPYGMEZSA-N 444.488 0.758 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1779540722 DPPRFNQHFJOAMA-FZKQIMNGSA-N 428.411 0.921 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1782188535 AGLHXVPOYCNFBC-XMSQKQJNSA-N 427.505 0.558 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783052827 IBRQTPYAYHLSDN-QFIPXVFZSA-N 430.505 0.990 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(Br)cc(F)cn3n1)CCO2 1783054648 IUHLRSGAWAGTKR-QGZVFWFLSA-N 436.241 0.708 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1784444871 FOBRWDLRZDYIFU-FCLVOEFKSA-N 448.545 0.479 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786735022 BPJWEEGEWIRDTP-BJLQDIEVSA-N 440.500 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788717922 HIAPTNVWFFARNX-BJEPVBOKSA-N 443.500 0.470 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789952815 UEKHVWWCYNBEOF-NRKLIOEPSA-N 446.570 0.095 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)cc1 1791344592 JTHZCGKFICGWEE-TUFLPTIASA-N 438.528 0.997 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793660815 WVQOGJOAAOMDDI-FRQROOTJSA-N 431.518 0.270 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cnnn2)C3)c(O)n1 1794490274 AURXOJSGFFHMKG-AFIMGQEJSA-N 441.492 0.357 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1795322636 IWNQKTWHVSSBLV-HGKCTWBKSA-N 431.514 0.662 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)O 1795641376 POMWMLGHFNHPJP-MQJTVSLUSA-N 433.892 0.344 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799334274 SETONSOBTRDJQW-AUGJRDSBSA-N 443.566 0.578 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1803137303 ZFRBPXZUBOFDRS-VZHLBOQGSA-N 427.457 0.765 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1806944583 OCRIULMCBAFTGY-MAUCEFANSA-N 431.493 0.705 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccnc1 1809886226 ZXUGALUSYBMTDB-OPAMFIHVSA-N 448.435 0.820 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810351088 VRKMRRLSZXIGAW-UMXIMWEHSA-N 448.523 0.790 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811446224 ZFIOZNJZDIFCSR-WUDFEMJASA-N 436.472 0.343 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812873732 FLOHIQKJNXMFCE-HRAATJIYSA-N 435.440 0.843 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)N2CCCC2)[C@@H]1c1cccnc1 1812875526 XOQHZHGNPRWDED-VGOFRKELSA-N 426.473 0.578 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](C)S)[C@H]2c2cccnc2)CC1 1813038839 WAJAXEGJZJQXOE-QKYXUNIQSA-N 433.578 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813572027 VZXRVFRRVLAJNN-SXQBJFQMSA-N 448.545 0.381 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CCC1 1814051743 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O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830468339 JQJBPTMZMWMQBC-NRFANRHFSA-N 443.891 0.440 30 20 ICED C=CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830678945 FLQZFFBYHJYNCH-JJNABOQBSA-N 427.501 0.892 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831208867 ABUSYYMOMVHDGR-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1831391749 UXIKBZRVUHAEBN-KKLQWCBXSA-N 430.501 0.869 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1831399510 VSLMMQVBCMCOMK-OPAMFIHVSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1 1833468818 XOWJEHSVYOHVCF-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1)n1cnnn1 1834518775 XJOKRYFYZDXBFF-GOSISDBHSA-N 435.532 0.857 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)COc3cccnn3)CC2)CC1 1836859802 FONJBTFOJOAERN-QGZVFWFLSA-N 430.505 0.892 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836867040 BGUFPNXEGCGSPI-IBGZPJMESA-N 436.597 0.824 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836966578 DYCXAADWSFSLKK-XLIONFOSSA-N 438.550 0.690 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837447554 QVMXQSGFIWJWTB-SGCYSOCQSA-N 445.520 0.258 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837449038 ZEZXSSUBOHFLSV-BTYIYWSLSA-N 433.461 0.346 30 20 ICED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837526245 TYXUMZKKVXFBLB-HWIIHTTPSA-N 439.509 0.398 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1838906171 VKXHVJFRUBBNMF-QFIPXVFZSA-N 426.473 0.251 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1839174438 BVFNRKCXDGOSPP-NRFANRHFSA-N 435.452 0.800 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1839223160 OLILRDOMDRGFTJ-UEXGIBASSA-N 435.525 0.777 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839227722 XFNQFVSBUKIXCU-IFXJQAMLSA-N 441.916 0.944 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622844 YBZVDBLNRDMQFT-QRWLVFNGSA-N 437.566 0.107 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1ccnn1 1839710293 IYBIDYBRCNHOPU-VGSWGCGISA-N 438.488 0.675 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1839811471 XCIJIGZKTOMEAD-DEOSSOPVSA-N 440.544 0.532 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839890396 YHTDNIGHDSQRBA-GOSISDBHSA-N 442.419 0.229 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839890777 SRZLHMJLNNRKDS-OAHLLOKOSA-N 443.369 0.333 30 20 ICED C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Oc1ccccc1 1840044329 CYCSDUARQIDQMP-VGSWGCGISA-N 430.457 0.388 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840130763 UURNJLGUMKTURD-FDDCHVKYSA-N 434.533 0.757 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840844346 QEVHKALNBNYZSF-GLYQVZKVSA-N 437.496 0.766 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1843406868 RMZGZDKBUVJFNW-HOCLYGCPSA-N 432.546 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1845187712 JUXCBZZGIJJTHI-UHFFFAOYSA-N 435.502 0.812 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)C=C)C2 1847069670 PVXDOKNGNUKOJM-JKSUJKDBSA-N 432.521 0.797 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1847240122 YWFKKDIKUQNBNJ-GFEQUFNTSA-N 449.548 0.844 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C(=O)OCCO 1847263886 RALAZYFDWFICMN-XSAZBNQGSA-N 441.484 0.510 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 108557139 OBMMLBQDYNASOA-NRFANRHFSA-N 426.473 0.781 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cn1C 110005069 GTYTVWSCVLUFJP-CYBMUJFWSA-N 425.511 0.671 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)cc1 428290103 WHRSCEFUSVDPOW-UHFFFAOYSA-N 432.506 0.493 30 20 ICED CC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437962610 JVWPVBKDHHHDCA-IAGOWNOFSA-N 427.461 0.517 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 438063686 RGRDKVREGIGESA-XDNAFOTISA-N 430.571 0.649 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)C1=O 440255639 AREDSEAJRDASJK-GOSISDBHSA-N 428.489 0.651 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)n2)c(F)c1 441742548 MGIWTOOYTWOYSP-MOPGFXCFSA-N 440.479 1.316 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1)c1ccccc1 441968590 YWIHJGGCRIIHED-MRXNPFEDSA-N 449.536 0.846 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 444509275 VJGGKLBWKVYPCX-UHFFFAOYSA-N 428.424 0.624 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)cc1F 447269388 BAHJCAVIVVLLND-UHFFFAOYSA-N 444.532 0.652 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 464405873 TZAKAIWZRRGULL-UHFFFAOYSA-N 443.547 0.818 30 20 ICED CCCN(C(=O)[C@@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 472153131 IRXKCFMVONSRQB-IAGOWNOFSA-N 436.582 0.536 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(=O)N(C)C 472201814 UNIPQTLCWSSIPB-UHFFFAOYSA-N 446.533 0.822 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480947248 BTFYEEJKVLSNMK-UHFFFAOYSA-N 428.495 0.369 30 20 ICED CCN(C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1)S(C)(=O)=O 481781282 CFTRSLMQSLVZIP-AWEZNQCLSA-N 442.563 0.498 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)s2)c1=O 482554159 GRMZNTBCGREAFL-UHFFFAOYSA-N 446.554 0.535 30 20 ICED Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 485997582 AQPBPPGFGBQIGW-QGZVFWFLSA-N 446.467 0.343 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 489051032 ZDZBXCZZFQHEBQ-HNNXBMFYSA-N 446.488 0.502 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-c3cccnc3)c2)c1=O 489701568 VXJXQWIXWIJLGU-UHFFFAOYSA-N 432.505 0.871 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Br 498172777 HZNIIOOMIPUMDY-UHFFFAOYSA-N 434.294 0.682 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 501295478 OAHCTNJNLSMHFZ-UHFFFAOYSA-N 430.486 0.879 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)cs1 503566077 CTBCSFUSIMZVRI-UHFFFAOYSA-N 437.478 0.934 30 20 ICED Cc1c(C(=O)N2CC(O)(CC#N)C2)sc2ncc(C(=O)N3CC(O)(CC#N)C3)cc12 506377640 GOGDEXGKRMWLDJ-UHFFFAOYSA-N 425.470 0.806 30 20 ICED CN(CC(=O)Nc1ccn(CCN2CCOCC2)n1)S(=O)(=O)c1ccc(C#N)cc1 521793619 VZJHLNJZRJWXHF-UHFFFAOYSA-N 432.506 0.346 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cnn(CC)c1 522389965 SRBPFJMAANFFIX-UHFFFAOYSA-N 425.518 0.268 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 527280013 COIFPXVPVQSURP-GFCCVEGCSA-N 433.436 0.172 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 532140277 LILDWVQWZATWAK-HNNXBMFYSA-N 430.530 0.304 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CCO1 543826490 OMCGZMPBTCXEQG-FQEVSTJZSA-N 449.463 0.785 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548618472 JSALSLHQCFEMLA-AWEZNQCLSA-N 432.523 0.442 30 20 ICED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 554207978 XJUCNWVHAOPKSR-QGZVFWFLSA-N 432.525 0.059 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2=O)cc1 554459917 WLFJGVGOQLRPSJ-LJQANCHMSA-N 433.468 0.920 30 20 ICED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 556109407 HWPOXXOKDZOAQU-OAHLLOKOSA-N 442.476 0.292 30 20 ICED C[C@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)c2)C1=O 560057450 GLWUOUPCESSVSI-QFBILLFUSA-N 433.490 0.470 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 561415272 OXFQVZDXQXIHSI-IBGZPJMESA-N 433.597 0.688 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(-c3cccnc3)nn2CCO)c1 567318256 ZQMPCNGPBFWKRP-UHFFFAOYSA-N 426.458 0.726 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1 568520811 PPZZLCCFWNECAZ-UHFFFAOYSA-N 432.510 0.636 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 578455922 DTWBCYVZVBMIOX-PMACEKPBSA-N 444.532 0.430 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 587647168 FNNZYHNIZRHBBY-AWEZNQCLSA-N 438.410 0.318 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cccnc2)cc1 606120962 ZUROTJGRJTUAHV-UHFFFAOYSA-N 431.474 0.582 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)OC)cc1 609491600 VFGUMZAURRRLAL-UHFFFAOYSA-N 425.507 0.098 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 609537924 HYJZKNBPDGBLRQ-OAQYLSRUSA-N 427.549 0.941 30 20 ICED C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609888593 AAOQIEJUWFTUJP-LSDHHAIUSA-N 439.559 0.993 30 20 ICED N#CCc1ccnc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 611655684 BYRMIXQPPYEYCD-ZFWWWQNUSA-N 431.430 0.818 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC2(c3ccccc3)CCOCC2)c1=O 613979384 JKQDDGOBLNHTHR-UHFFFAOYSA-N 440.500 0.408 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 619835453 UHXUNKQAIKNIEJ-UHFFFAOYSA-N 436.881 0.532 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 670510930 AMBUKDWPUMGAJN-UHFFFAOYSA-N 426.439 0.811 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)CC1 729257270 ZEYOJNNEHAJWQA-UHFFFAOYSA-N 442.545 0.652 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)ccc1F 731655084 FAGKBTQYBXXTNL-UHFFFAOYSA-N 426.514 0.572 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOC 748645051 LGWXWZWWOFLYPJ-UHFFFAOYSA-N 446.554 0.535 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 753900180 CJLXKRDPSLJVSV-HNNXBMFYSA-N 437.518 0.961 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 756836138 SXQVGDBVKFJSCQ-GOEBONIOSA-N 447.496 0.622 30 20 ICED CCOCCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 757635523 SVPAEKKWKUPBHE-SILNSSARSA-N 446.551 0.394 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 758076889 RHZNCENYWYLRHY-UHFFFAOYSA-N 436.537 0.658 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)c1 762295090 JPBAQLRHOIJQHT-WMZOPIPTSA-N 430.486 0.624 30 20 ICED C#CC[C@@]1(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 764479464 MHOYFOPAETZERU-YWZLYKJASA-N 441.550 0.541 30 20 ICED C#CCOc1ccc2ccccc2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889333 ATDAMKPCUHXIIE-UHFFFAOYSA-N 426.454 0.562 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1cc[nH]n1 772545435 DFWXGQXEIWOBEU-GXTWGEPZSA-N 434.453 0.569 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)[C@H]1CCCO1 773801261 XOAGMBNMXXFWQN-PKOBYXMFSA-N 433.530 0.903 30 20 ICED CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 774012534 OEULJVDUIKCXDA-UHFFFAOYSA-N 426.451 0.874 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 776140644 FJCCSKRGIVTKOF-UHFFFAOYSA-N 449.938 0.970 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 777365091 JYWDLYUCVICNLJ-UHFFFAOYSA-N 426.451 0.013 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 778768479 JMTRIKBVQLOLLW-SZMVWBNQSA-N 445.497 0.632 30 20 ICED C#CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@@H]1CCS(=O)(=O)C1 783475372 NAIBZNQGWCLMKL-OAHLLOKOSA-N 435.893 0.567 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 785285752 NIGBDVORZCHDTA-OTRWWLKZSA-N 432.404 0.728 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)OC)cc2Br)C1=O 785630025 YOCHFCKNSKPIGH-UHFFFAOYSA-N 438.234 0.829 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 786844836 FWUBDBJNWHPIFG-OAHLLOKOSA-N 443.953 0.809 30 20 ICED CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)CC(C)C 789944544 WFNLVMLSZOOIBH-QGZVFWFLSA-N 430.509 0.879 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 794924685 ZJNGDXJWRBITNN-UHFFFAOYSA-N 437.434 0.236 30 20 ICED C#CCN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 799086120 IALRXQHYWLVQOB-ZDUSSCGKSA-N 430.408 0.603 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O 807741754 DUYBWHBORXPXOR-HNNXBMFYSA-N 449.508 0.117 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 810271319 PURBUPUCFAACEZ-UHFFFAOYSA-N 442.335 0.715 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812254477 IYXJCIAMLGSGSX-NRFANRHFSA-N 433.509 0.085 30 20 ICED COCc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 919033972 HTZRYVLZIKJMGN-UHFFFAOYSA-N 431.470 0.843 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1F 1297754173 MVZDMAKZOQDCGE-UHFFFAOYSA-N 440.478 0.865 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1314929681 ZITVRGPMFWGWNA-OAQYLSRUSA-N 425.493 0.074 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ncn3nccc3c2=O)cc1 1318437700 YUCOQUIMJOXOEO-JWGURIENSA-N 429.462 0.343 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1321819098 RBADSAWFMBEZQZ-HOTGVXAUSA-N 433.490 0.303 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCS(=O)(=O)C3)CC2)cc1 1323780676 AODGOEGVKVMGSD-MRXNPFEDSA-N 439.559 0.900 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1503833849 STVGEPLUVSBGBH-GOSISDBHSA-N 438.485 0.953 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CCO1 1521129594 LFRJKEZYMSYTQQ-HOTGVXAUSA-N 436.538 0.312 30 20 ICED C[C@@H]1CN(C(=O)c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1543721588 QVSBAGMLNBATHW-ZIAGYGMSSA-N 425.445 0.386 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1655870611 XDTORYAYHLEHDT-FQEVSTJZSA-N 448.612 0.916 30 20 ICED CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC12COC2 1680779114 SBDHPYTXHUAWMX-ZWKOTPCHSA-N 426.473 0.880 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1690346625 YETMIPWVVGNJQZ-AWEZNQCLSA-N 429.934 0.733 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@]2(O)CCOC2)cc1 1771534408 AAVVEFZJQNMJAR-IERDGZPVSA-N 426.477 0.582 30 20 ICED O=C(/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2)NC1CC1 1778831974 NLRJUFRXOXATMW-RJFRRTHMSA-N 434.493 0.180 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107422 UGMWOQNGDIYZHL-ZFCBIQLQSA-N 447.536 0.938 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779396284 XMPAFCIPSSTCTO-DNVFCKCGSA-N 445.560 0.725 30 20 ICED CC(C)(C)n1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1780354513 DGZSJMFYWQDPJL-XWRADEMYSA-N 431.541 0.948 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599612 PCYXPFTZIBITDL-VGOFRKELSA-N 444.488 0.845 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c(C#N)c1 1780686674 NISSNURXIIQNRM-XMSQKQJNSA-N 442.520 0.106 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cncn1)C2 1780739756 NBDMLINHDNCCKA-CSODHUTKSA-N 433.509 0.862 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1781698261 QNNWNALAFPLYBO-GOSISDBHSA-N 437.246 0.686 30 20 ICED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)C(=O)O 1781974838 QLBOUDBBBMQXRE-FQEVSTJZSA-N 448.863 0.198 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194964 SYUUIZXUNVFVPO-IOUFHMPJSA-N 437.456 0.997 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3F)C[C@@H]21 1783530302 QJZLOFFJZGRUTL-BQYGTXGQSA-N 433.484 0.563 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1785574838 UEGSRHZGXIRXIA-JTSKRJEESA-N 436.553 0.685 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785575167 ZHEQBLKHJBUNNF-IERDGZPVSA-N 446.508 0.025 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)cc1O 1785594512 BTHHUZLJKJQFNX-BXWFABGCSA-N 439.472 0.670 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789572750 ZFPBWMQKWINXMB-FCLVOEFKSA-N 433.530 0.832 30 20 ICED COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)c1ccccc1 1792799817 CILVFOIEFMBVGO-XMTFNYHQSA-N 426.473 0.977 30 20 ICED 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#CC2CC2)C1 1793261178 AFHMAPRCRBDSJJ-IHEQNBGGSA-N 447.532 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O 1793972386 NLAXGSJIDITECT-OSOWDXQVSA-N 435.374 0.838 30 20 ICED COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1794529937 QALWINHWBSJCQN-TYGXFAMMSA-N 432.477 0.822 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1795597564 NIWGHSHXDQEGPX-UPHUGPLXSA-N 438.532 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705339 RQAUASSVCXTDIX-OWLYRPNTSA-N 425.551 0.335 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797742259 OLBRLHXRWCKOKN-SWAGHCSDSA-N 425.493 0.633 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1797786906 OCUPMMKHRNIGGL-BQJWPVKWSA-N 430.523 0.025 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C(F)F)n1 1798674793 ZQDFSEVOCPRESK-OLDVJPBNSA-N 437.447 0.648 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)cc1 1798919771 LRZIVOHCRGIJCI-ALXJQNPVSA-N 432.440 0.824 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C3)c1 1799284993 UKIRSPCZUBGXKV-MUJYYYPQSA-N 428.445 0.362 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799862277 GNINZFWYMGMIGU-OVZMXSCWSA-N 430.523 0.751 30 20 ICED C[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 1800756002 PFYXMSKRXRPZJR-SBJFKYEJSA-N 445.582 0.559 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804118222 MJDSUYWUHWEFCQ-WRWLIDTKSA-N 425.489 0.734 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806909109 NRMSSXRBXBLECH-KNQAVFIVSA-N 444.532 0.929 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@H]1c1cccnc1 1813268241 WGPKOIOQGBAPNZ-VQIMIIECSA-N 432.477 0.953 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820976156 GHHMGZKBZOBNSA-DOTOQJQBSA-N 438.529 0.489 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccc3F)C2)C1 1831402507 JDCYAJHWFMFHQN-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831409020 HEODHXFXPOVJSX-JOCHJYFZSA-N 443.504 0.782 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)COCCO)CC3)CC2)cc1 1833107617 VUTZYCXRDZZHCC-UHFFFAOYSA-N 428.533 0.681 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1833474521 DJAUYWRDAABDHA-QFIPXVFZSA-N 438.440 0.341 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833994877 FAJYHTZYANWNGS-SGCYSOCQSA-N 429.521 0.932 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1834528198 IVIMUAQVMGIPKU-HXUWFJFHSA-N 426.433 0.069 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1835100152 CAEREWIIULBOBV-XMMPIXPASA-N 445.479 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1835679811 AOOSRKXPVXVWFH-QFIPXVFZSA-N 445.520 0.068 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CC)NC)CCO3)c(O)n1 1835905843 WZPHQIHPJIGYDO-XXBNENTESA-N 446.548 0.974 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836447855 WBYNAULNYQZBBC-HXUWFJFHSA-N 431.518 0.947 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836866554 VGXJYGPXIYFZOR-YOEHRIQHSA-N 436.509 0.174 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837679144 FMANUANPBBBSEN-BEFAXECRSA-N 431.480 0.959 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)o1 1839420362 DZWKSZOPWFKYMJ-OAQYLSRUSA-N 443.435 0.702 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ccoc4cn3)CCO2)C1 1839483915 WTNIRAMVMTVGDT-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1839807144 NPCBENKXAZSSEZ-QGZVFWFLSA-N 426.242 0.686 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840088245 ULYRSKQFMMPCCZ-OPAMFIHVSA-N 435.521 0.769 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840845153 KPFVQJGOAGNPBM-HSZRJFAPSA-N 427.501 0.872 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842059157 ZPHZZALYZBNODM-CZUORRHYSA-N 430.505 0.769 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)CCc2cccc(C#N)c2)C3)c(=O)nc1O 1846967964 MBXGFPPTADIDLR-UHFFFAOYSA-N 435.484 0.965 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 427022315 IJKJPOIQJJKMHA-UHFFFAOYSA-N 445.487 1.335 30 20 ICED CC(C)(C)N1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 429320561 BYETURNMZBUKAB-INIZCTEOSA-N 433.534 0.974 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 430368081 DOGUDIRXEIJOSU-RBUKOAKNSA-N 435.546 0.758 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 430379104 NSPBZSSLJUDQJU-YJBOKZPZSA-N 439.509 0.756 30 20 ICED CN(C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 438711931 WBRJOBYTOGYGDF-UHFFFAOYSA-N 431.522 0.855 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1C#N 441995482 YJDADSPQNVTTJJ-UHFFFAOYSA-N 435.488 0.781 30 20 ICED CN(CC(=O)NC[C@H](O)CN1CCc2ccccc2C1)S(=O)(=O)c1ccc(C#N)cc1 448265184 CSEDERWYTJXDEN-FQEVSTJZSA-N 442.541 0.714 30 20 ICED COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460598434 LXAGMYVINWXBNN-UHFFFAOYSA-N 447.455 0.941 30 20 ICED CCOC(=O)[C@@]1(COC)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 467797047 IKBIVWHVEGXWQN-FQEVSTJZSA-N 437.518 0.997 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 474573709 GCJYTGIFNYQSCS-IYBDPMFKSA-N 432.525 0.224 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 476275423 UWWMACXQVIGYNK-OAHLLOKOSA-N 428.518 0.878 30 20 ICED N#CCSc1ccccc1NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 477630526 XRQTYVJTWPGYKK-UHFFFAOYSA-N 445.501 0.754 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)n2)c1=O 479379064 NKIBCBXVIRIHNM-UHFFFAOYSA-N 428.539 0.578 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 482206982 JRDGMOJYUGENEX-UHFFFAOYSA-N 430.436 0.406 30 20 ICED Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C 484260787 MTXGHJCYKMBQQU-UHFFFAOYSA-N 436.534 0.720 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccccn2)c1=O 488986354 RVJMSILDMRGHHR-AWEZNQCLSA-N 427.482 0.367 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CC1 491212734 JHOXRYCGNADJSI-UHFFFAOYSA-N 429.521 0.974 30 20 ICED N#Cc1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 496740613 VNZWDQCUGCVEHU-UHFFFAOYSA-N 436.520 0.644 30 20 ICED C=CCN1CC[C@H](N(C)Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1=O 500026068 QNXNDYHQIRVVFT-LBPRGKRZSA-N 448.501 0.705 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537016 QYCHOEMYWGHPJL-UHFFFAOYSA-N 448.504 0.564 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2OC)c1=O 523088302 WTCYBVUDBQHQSX-UHFFFAOYSA-N 443.525 0.745 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O 524282992 XMUWWBOFFFZGQN-UHFFFAOYSA-N 428.514 0.212 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 525690510 HAOLHABLGSFXFX-OAHLLOKOSA-N 444.531 0.343 30 20 ICED C=CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 537454747 TUCHUBHFVFVCHL-UHFFFAOYSA-N 438.506 0.166 30 20 ICED CCOC(=O)c1cnn(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C#N 546801858 UXBVPSGMFFKNAH-UHFFFAOYSA-N 442.451 0.853 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n2CC(N)=O)cc1 547315803 REMYEYXSMOFSMA-UHFFFAOYSA-N 448.460 0.998 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CC1 550229565 DGZSEOIKDNVPDG-IBGZPJMESA-N 442.495 0.211 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 552325808 HKXHTICIXILSPM-OAHLLOKOSA-N 426.454 0.558 30 20 ICED C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(N)=O)C1 555269105 UDFBKNWMMXDHQG-FQEVSTJZSA-N 439.564 0.909 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)CC2)nc1 557920574 XGUYFQTXOROJFW-IBGZPJMESA-N 438.532 0.899 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)CC2)n1 565445162 WNQMZTMBEOFSIX-UXHICEINSA-N 440.548 0.486 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccncc1OCCN(C)C 566879293 FJKXOPZPCUONOH-OAHLLOKOSA-N 431.518 0.877 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 578258733 BYGJKDLBCIULJO-FXCLAUTBSA-N 426.473 0.182 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 583157752 BINKCRTZAUPDEQ-OAHLLOKOSA-N 443.485 0.788 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O 589160688 MFRIWHCFRWPWHH-UHFFFAOYSA-N 425.557 0.249 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 604483043 XCCLHBZCBGEPFN-UHFFFAOYSA-N 435.488 0.449 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(OC)nc1 608884333 FHIRNWAIXMSAQR-UHFFFAOYSA-N 440.481 0.470 30 20 ICED CN(CC(=O)NCC#CCNC(=O)CN(C)C(=O)c1cccs1)C(=O)c1cccs1 680339002 ADJCIKRGHKCDPD-UHFFFAOYSA-N 446.554 0.890 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 733149829 SZFBJNLWQIXOFX-UHFFFAOYSA-N 440.953 0.292 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cncn2)c1 737288786 CSDXZDYIFVFUJI-JJIBRWJFSA-N 447.521 0.626 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 746621188 XBHCNNWTDPHESE-GJZGRUSLSA-N 436.534 0.600 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccc1F 746847275 LDKPLEAVZYMBLK-UHFFFAOYSA-N 433.527 0.786 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 750519321 WWBDQVANMDRKSA-UKRRQHHQSA-N 442.563 0.290 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H](C#N)C1 758643871 XJOWRJXZWSTTMZ-QMTHXVAHSA-N 435.462 0.254 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc1 763823447 MEHMHDGIPPHIPA-UHFFFAOYSA-N 438.506 0.356 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 765511902 FWZLBIUZWTYAFH-FZMZJTMJSA-N 432.424 0.847 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1OC(F)F 777947918 ZBTUZVYEHNWWAX-UHFFFAOYSA-N 439.465 0.891 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 783541998 MEWVSVOYYAVCJT-HNNXBMFYSA-N 431.492 0.465 30 20 ICED CS(=O)(=O)N1CCC[C@@H](COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 786484709 IXQNBVKJFHYSLD-WBVHZDCISA-N 448.501 0.978 30 20 ICED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 790824922 XAMDIGULEXZFKR-UHFFFAOYSA-N 441.466 0.728 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCOC2 791688331 LVFGPEFKZNRNLM-AWEZNQCLSA-N 432.506 0.578 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C#N 809502440 MXONFVQHHROITD-UHFFFAOYSA-N 441.532 0.730 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814270324 FWHOSUNWBNDUOB-ZCXUNETKSA-N 446.485 0.509 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2C2CC2)CC1 917790694 CGMDCHDOOPRTCQ-UHFFFAOYSA-N 429.571 0.677 30 20 ICED CCNC(=O)CN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1116060779 OQEPVSKUMBZKRY-SFHVURJKSA-N 440.504 0.434 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@@H]2COC3(CCOCC3)O2)cn1 1116480868 URDDOUGKDFFPJV-CABCVRRESA-N 437.522 0.893 30 20 ICED COc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 1318296379 AWYAGCXCSGTWCS-UHFFFAOYSA-N 436.534 0.363 30 20 ICED CN1CCN(C[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2)CC1 1327834902 WSVYGBWXHJNHGT-PNBGARPFSA-N 426.521 0.801 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1337108227 FUQYGFHYDMKYLS-JKSUJKDBSA-N 433.490 0.303 30 20 ICED CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503362622 INVUOJGIKGKSGS-WBVHZDCISA-N 449.581 0.225 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC(=O)N2CCOCC2)c1 1521076132 UWJRSUWESCLCEC-SFHVURJKSA-N 437.504 0.767 30 20 ICED COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1525770062 QXSMVUMIVCTLTL-UHFFFAOYSA-N 435.502 0.797 30 20 ICED Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1542659808 LPVWJAIOELBCIC-QZTJIDSGSA-N 446.533 0.697 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1545146094 OPSNPNKFJTZANZ-AUUYWEPGSA-N 434.522 0.342 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CNc2ncccc2C#N)c1 1625650278 BVPGEURHTYKMCE-GOSISDBHSA-N 441.513 0.941 30 20 ICED Cn1nccc1[C@@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1633708770 UGICUCGNIQVHRQ-IBGZPJMESA-N 431.518 0.821 30 20 ICED CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692853073 MQYUWXVISYAYGT-CVEARBPZSA-N 438.554 0.776 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1694739406 PSXMMKDWABHAQX-GJZGRUSLSA-N 430.538 0.652 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCO1 1696964612 MJNDYDICTYVFCC-LJQANCHMSA-N 439.520 0.490 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(=O)N(C)C 1708153056 LHVQFGIOJWTVEE-INIZCTEOSA-N 446.519 0.729 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1711420728 XCAQBVIBRZXIFR-INIZCTEOSA-N 441.521 0.836 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccncc2)C1 1731016242 XCONJBMWHVIJOP-VQIMIIECSA-N 449.512 0.691 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOC1=O 1751207586 RAZMCHOZZPPGND-AWEZNQCLSA-N 439.542 0.861 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1752312044 IXNNIWUDMFEJKS-OAHLLOKOSA-N 431.518 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892732 ISNVCUGDVNLELW-MMXTWKRJSA-N 434.415 0.394 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1778975242 XJVNBNGGRYCWLW-GBXCKJPGSA-N 442.560 0.786 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779446479 SMJQKCBGWFEDBO-DTXYYNOZSA-N 428.493 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CC)nn2C)C1 1779761899 WWHFYDWZUFADBK-VZVPXEAQSA-N 443.548 0.968 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO3)c(C#N)c1 1781172425 PQUBEYASWYRJNY-MWTRTKDXSA-N 442.516 0.806 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781861424 RPVOOZWZNLRGKB-QRWLVFNGSA-N 433.465 0.173 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782566218 UULVXWLSHJAORP-RMUOZIPVSA-N 442.451 0.170 30 20 ICED CC(C)N(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1783554548 BTAWHJKDSGESLZ-NRFANRHFSA-N 437.493 0.550 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](N)c3cccnc3)[C@H]2C1 1786928906 UJYIMIHRZMTXNK-MUGJNUQGSA-N 444.532 0.961 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789173141 YKCGRHSONUBNCY-LAQRGFTBSA-N 443.504 0.515 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1792145769 VQUGADULYZJAQQ-LNLFQRSKSA-N 442.472 0.369 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3O1)C2 1792490366 PSHBQXJFDUPOOV-YGORATHOSA-N 439.512 0.828 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)C#N)ccc21 1792631419 UNYOVGQFANTMKR-JLVBRIDZSA-N 425.489 0.630 30 20 ICED 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]n1)C2 1793594569 AXJZFHZCDNYZCA-XGUBFFRZSA-N 434.497 0.477 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506440 WBMFCYBJKWHXED-OCVGTWLNSA-N 431.518 0.863 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)s1 1799042957 APPANSNOEBCJNJ-ZTENYAIWSA-N 434.514 0.705 30 20 ICED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800849192 PMTIUOFJHONSSD-HUUJSLGLSA-N 442.553 0.484 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1800985482 CCYGHDUKUGTHDL-IKVITTDRSA-N 433.490 0.200 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801869107 PDUAUJNRSRCQLX-XOIINTDNSA-N 437.493 0.982 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(CO)c(F)c1 1801901437 QXIICMSFRQEXER-FYGUATGLSA-N 432.496 0.993 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803457814 LMBBZPDFJHVDOT-XKCSPQBFSA-N 448.527 0.971 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)CCOCCOCCOCCOC)[C@H]1c1cccnc1 1812530141 RYFBFBQDEWBWES-REWPJTCUSA-N 447.532 0.807 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1823089350 KAHCWKZWDKOMIQ-MNOVXSKESA-N 439.494 0.399 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1829260276 LHNROFUYZPDOII-SBUREZEXSA-N 440.500 0.583 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccc(C)n3)CCO2)C1 1829718912 NRPDAAWZHUHBNH-GPEVBYCZSA-N 427.501 0.898 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829899224 WIXJFBMWVBHDKH-HSZRJFAPSA-N 437.500 0.913 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)C1 1829906395 YVSLMRWLMQHURT-URXFXBBRSA-N 440.544 0.899 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C)COC2)CCO3)c1 1830033361 LTEVZPTZFRWQFW-QFIPXVFZSA-N 429.473 0.673 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)c1ccccc1 1831143674 NNYADSNQWGRWQA-QFIPXVFZSA-N 428.489 0.519 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831200947 TVLMEBIHLCASAQ-VGSWGCGISA-N 439.553 0.322 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)no1 1831216183 ZCOUGGDIXLGIBE-OAQYLSRUSA-N 430.461 0.181 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1831386657 ICXYGTOIKOJBEH-DYESRHJHSA-N 433.530 0.668 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831397446 YJYQZQGEKPJYIB-HTAPYJJXSA-N 430.505 0.256 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c1F 1831485340 BKRUKQWIBFVRNR-LPHOPBHVSA-N 428.530 0.892 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832717454 WWFGLASRZYPZLR-KKSFZXQISA-N 435.908 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccnn3C)CC2)CC1 1834210973 WZEHLXTYIMUUMN-PLNGDYQASA-N 428.537 0.464 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccon2)CCO3)c(C#N)c1 1834488801 CGLFXTHUHVKJTB-JOCHJYFZSA-N 440.456 0.868 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)CC1 1835440206 NMUOMXSCKRUSKV-UHFFFAOYSA-N 439.582 0.143 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837279453 PLTIUNYSOCJRSZ-VAWZGJIGSA-N 435.565 0.766 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1837393155 LWOWJLYCWKPNDS-VGOFRKELSA-N 439.553 0.322 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837446813 GVDHHESDLCKUPU-JHXRPTDYSA-N 432.525 0.270 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837566653 DKWLATUEGXUDET-YGPNGPECSA-N 426.473 0.793 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1838045049 MPLMSZKJKDODNQ-JOCHJYFZSA-N 448.520 0.562 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CN1 1838400324 CBKFNPVIQVRSIA-GOSISDBHSA-N 445.560 0.820 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5cncn5c4)C3)C2)c1 1838737336 OZWAHMVUJCLMQN-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827607 YHMCDXHYSIHZDM-AUUYWEPGSA-N 437.453 0.794 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905900 FHHVEHCIFRRTLN-UTKZUKDTSA-N 429.477 0.075 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1839174182 KPGOLSJWHOCZLF-HSZRJFAPSA-N 445.516 0.898 30 20 ICED COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839224141 NVFYXUOBMQHUEF-KKSFZXQISA-N 434.493 0.961 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1839451082 YEBIZLGCMNROFK-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1 1840714167 WHRPJFVRKNMVCB-ZHRRBRCNSA-N 428.489 0.472 30 20 ICED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1846367697 KJCURLVGWIGHPM-AWEZNQCLSA-N 430.534 0.701 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cncn1)C2 1847073894 NFXGJJXSWLCBLC-JKSUJKDBSA-N 430.509 0.959 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(O)nnc2O)cc1 1847805794 IAWQGKSTGZFLNR-JQFCIGGWSA-N 425.445 0.532 30 20 ICED COCCN(C(=O)COC(=O)c1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10808035 WKGBMCPQAKHIRQ-UHFFFAOYSA-N 443.460 0.483 30 20 ICED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 30359135 HUUDCAHKGORCTA-UHFFFAOYSA-N 429.433 0.738 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)c1 62028743 AIPNQRDUMAKCAT-UHFFFAOYSA-N 443.481 0.477 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 64523108 HRXHDOSTCMNLCS-MRXNPFEDSA-N 439.584 0.950 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCO1 409594801 NWVCCEJFVGCQNN-OALUTQOASA-N 434.566 0.385 30 20 ICED Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c(C)c1 410124941 WGFRJQURFHQZSV-MSOLQXFVSA-N 436.534 0.684 30 20 ICED N#Cc1ncccc1S(=O)(=O)NCCN(C1CC1)S(=O)(=O)c1cccnc1C#N 428238018 MIDFAWCFEWYZBD-UHFFFAOYSA-N 432.487 0.352 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434825091 AMLZTKMQBPIIOT-HIFRSBDPSA-N 441.506 0.002 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 437698775 JMRVJXUXCKJTES-UHFFFAOYSA-N 444.513 0.976 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)C1=O 440260480 ZFZKSQIIWJUAFI-CYBMUJFWSA-N 449.460 0.683 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C1=O 440277364 PAZHZYSDEVKOIT-INIZCTEOSA-N 436.534 0.947 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 441179508 DZSCWPIGLQGQES-NRFANRHFSA-N 443.460 0.359 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cn1 460732108 ZUBXSUDMLLFJGC-MGBSGCIJSA-N 445.439 0.001 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 461270612 QBQFMLNOIKAMIG-UHFFFAOYSA-N 448.526 0.334 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 465509235 ULBNTAUDDXYAIO-AWEZNQCLSA-N 435.531 0.792 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCN(CC#N)C3)c2)CC1 479880817 AUILJYVTEGRMKG-GOSISDBHSA-N 447.561 0.505 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480950152 KMOIROPLNPRRRH-MRXNPFEDSA-N 437.481 0.139 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)Cc1cccc(F)c1 481217674 HTALITLEFZNUGU-CQSZACIVSA-N 432.477 0.839 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 483740787 DRVPXUGLEOADJE-UHFFFAOYSA-N 436.472 0.674 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccncc3)c2=O)cn1 488982855 QOHGHTXDUKIYTE-HNNXBMFYSA-N 434.477 0.806 30 20 ICED N#Cc1c(CCCNC(=O)c2cn(CCO)c(=O)nc2O)nn(-c2ccc(F)cc2)c1N 497637634 UXECBNSCVOPTSX-UHFFFAOYSA-N 441.423 0.082 30 20 ICED Cn1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 501514668 ZOGZUCSMUOILHK-IBGZPJMESA-N 428.518 0.794 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 510237071 OCVAVWQGOYJFKK-TWMKSMIVSA-N 448.615 0.682 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)COc2ccc(C#N)cc2OC)c1 517982676 YVPPSUUPLAWJGY-ZDUSSCGKSA-N 446.485 0.997 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C(=O)NCc3ccccc3)s2)c1=O 521180529 HFTRAGACCNYXIL-UHFFFAOYSA-N 440.485 0.374 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 533037053 OQJHCIVMORYXQU-UHFFFAOYSA-N 442.494 0.001 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542992210 COSNRDYCPXTXHK-ZDUSSCGKSA-N 434.453 0.362 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 547415128 CVHUZIZSOSXHEX-ZIAGYGMSSA-N 440.460 0.976 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)n1 549959083 KCHVVPDYXYGCGL-UHFFFAOYSA-N 440.548 0.753 30 20 ICED COCCn1nnc2c1CCN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 555572608 UOQDGKRGHNQODV-OAQYLSRUSA-N 441.511 0.831 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 558997536 JNTPELDDZFMPLM-AWEZNQCLSA-N 448.615 0.715 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccncc3OCC(F)F)CC2)c1 564316592 RNQZXRJJGVWEGS-UHFFFAOYSA-N 430.415 0.957 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)nc1 568538721 HLSYWHZYXHPYMD-UHFFFAOYSA-N 440.548 0.753 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(Oc3ccccc3)nc2)CC1 570233790 AIIWYZIZPROMMI-UHFFFAOYSA-N 437.500 0.937 30 20 ICED CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 578670962 LZOBKOMPQNPRPA-BBRMVZONSA-N 440.460 0.919 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)C1 580393364 UMYSGPDEHRTHLY-AWEZNQCLSA-N 448.501 0.619 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 610690223 UNHKCOROWNDEKI-AWEZNQCLSA-N 446.489 0.313 30 20 ICED C=CCc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 613417119 JYUCFKMZIKCJGP-FQEVSTJZSA-N 438.594 0.265 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1 728530831 VMNSADBJLQMLOU-UHFFFAOYSA-N 436.534 0.109 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2ccc(C)cc2)CC1 728609038 ZQGBATXGCBQLBB-UHFFFAOYSA-N 426.546 0.826 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCS(C)(=O)=O 729673638 YZBQMGVJAFVXLS-UHFFFAOYSA-N 439.584 0.354 30 20 ICED CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725258 RLCXQEPVQRLGIE-FSXJBPCSSA-N 448.530 0.973 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)CC1 731192058 PHBWMLHESOYZOB-UHFFFAOYSA-N 432.431 0.684 30 20 ICED C#CCCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 749658705 UVRJSBRNRZWYBN-SFHVURJKSA-N 435.546 0.396 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758077175 SFRXSNFOILSYRN-AWEZNQCLSA-N 427.530 0.149 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763460612 NKWAXVVFMVHOSV-UHFFFAOYSA-N 441.601 0.962 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766275611 XORQTIPFOKHBAI-DOMZBBRYSA-N 428.536 0.483 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 770900041 ZSWYBHJLNSNSCJ-QWHCGFSZSA-N 428.536 0.044 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCCC#N 776122286 OOKDLUIHJIODDS-AWEZNQCLSA-N 426.520 0.890 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 779033240 PNNQZWJVOVIECX-OOJJEUIESA-N 434.478 0.267 30 20 ICED N#CC1(NC(=O)COC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CCC1 784217022 SSZOQDLFQKPFDV-UHFFFAOYSA-N 441.531 0.860 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 785006795 TXVXFAOUYXLDPY-ILWUXDPISA-N 449.533 0.598 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccccc1SCC#N)c(=O)n2C 825374731 ASCKAQBWFPNBPO-UHFFFAOYSA-N 442.457 0.231 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 857311713 ZNVBBTGVTZOQPF-OAHLLOKOSA-N 437.518 0.917 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665092 IUCZJCMXJMYTTQ-HNNXBMFYSA-N 435.502 0.553 30 20 ICED NC(=O)C1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 917108037 PSAOYFXDPBSAJX-UHFFFAOYSA-N 436.534 0.684 30 20 ICED COCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918269560 MFZXNTNHWOGXID-PGMHBOJBSA-N 426.495 0.217 30 20 ICED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408851 ZUYIPKZZJOIJJK-GOEBONIOSA-N 440.547 0.020 30 20 ICED CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302540292 FLXWJPHAOUVREY-UMVBOHGHSA-N 427.600 0.816 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1303867148 NHUCRAHQXOVMEU-RVSPLBMKSA-N 440.551 0.586 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)nn1 1341391381 UAPUDGYOPODUMN-MRXNPFEDSA-N 434.456 0.837 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1451536838 QHLHEBVTAXSBSY-AWEZNQCLSA-N 425.532 0.795 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1554504012 QRMMVISJKIHUDQ-MGPUTAFESA-N 446.533 0.750 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 1679945132 UIZDJEIJGVNSAW-ZBFHGGJFSA-N 441.554 0.955 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1696048935 PJVAHGDIEGFTMC-GOSISDBHSA-N 426.543 0.562 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1706838787 YMECCDWRHNNGMC-FOIQADDNSA-N 449.533 0.749 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1712884431 MDBXZUYZZMSMDR-AWEZNQCLSA-N 435.481 0.753 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CC1 1722798261 KCJWBJOILSUFFA-UHFFFAOYSA-N 430.557 0.710 30 20 ICED Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1748045688 ZKJUPTYDBIEXOK-INIZCTEOSA-N 441.521 0.836 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778354723 NWJZBNZAGAGMNB-QHCPKHFHSA-N 434.581 0.973 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1C#N 1778943096 FWBJRFHMBBOYJU-JOCHJYFZSA-N 439.472 0.665 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1c[nH]c(=O)cn1 1780121949 JUCFUIGXEGIGLY-RCMSRTDESA-N 430.509 0.369 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804106 NXSWSMYYGAZAQK-QTQZEZTPSA-N 440.541 0.452 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H]3CCC(=O)NC3)CCO4)c2c1 1782195334 YNODGGAAFGKMEJ-NYHFZMIOSA-N 436.472 0.404 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635078 QOZGTFGXCDKUIR-DRRDTLGUSA-N 447.492 0.474 30 20 ICED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783522044 RKUAIUPNRNMPIV-JYJNAYRXSA-N 447.561 0.872 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1783918408 DGSGGQUTUOBMOY-DKIMLUQUSA-N 431.876 0.780 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n[nH]4)[C@H]3C2)c(C#N)c1 1786940659 IVMYKFCRCQBIGZ-FNHZYXHNSA-N 439.472 0.832 30 20 ICED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)c1ccccc1 1788708217 QAARFLGRTVYXDO-YRPNKDGESA-N 425.533 0.646 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1789890184 CGFRVELSEGKDSA-FHWLQOOXSA-N 432.521 0.842 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C 1794468513 NAVJZOQOTAFLII-PFIYSYJPSA-N 427.505 0.209 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2 1795600611 APEQHCLJBHFPIO-HNJRGHQBSA-N 425.533 0.895 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1796597340 PDJHXAAGQHVIQH-CPBNWBEWSA-N 449.508 0.262 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797890432 ZKKBHNCTPHSWHQ-JCQHHRMRSA-N 431.489 0.633 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NC(C)=O)C3)c(C#N)c1 1799238051 XOCQIHIAHBMDMA-RMFSNUHRSA-N 442.516 0.614 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c1 1801762234 DSEQNIKSHLJIBF-HCBXPFHNSA-N 435.484 0.774 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1801992448 LAWILYYXSILOCB-UPHUGPLXSA-N 446.467 0.883 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804130245 DQHCMNKBCBHCFJ-UIVXKWKOSA-N 430.461 0.640 30 20 ICED 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]1CNC(=O)C1)C2 1804377207 VCVKLHQFUYOJII-NQNKBUKLSA-N 432.521 0.677 30 20 ICED O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CN1 1812639266 IFTLOIFGLXVGMU-HXXCPOBASA-N 426.521 0.695 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815197603 WRFZITBYAGBDRU-OCCSQVGLSA-N 427.398 0.165 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1819898012 GJRWZAOJQDLLGU-ADSRIYOHSA-N 434.482 0.271 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820193271 VNJHXBKIMPAHML-INWMFGNUSA-N 438.550 0.779 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026197 FKWPUAGWZICOFM-IAGOWNOFSA-N 437.541 0.262 30 20 ICED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1826420715 ORJDNHGGJALJHE-NSHDSACASA-N 440.489 0.689 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCN2C(=O)OCc1ccccc1 1829018680 VBLAVQSDQWPGES-HSZRJFAPSA-N 435.484 0.968 30 20 ICED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829351070 APZKQLDBYSRBSP-HSZRJFAPSA-N 443.500 0.553 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898924 NVMJPXXVHZGGQT-QHCPKHFHSA-N 442.516 0.472 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)c1ccccc1 1830409347 VWUZIQNOQGQSCJ-NQIIRXRSSA-N 430.461 0.454 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831330206 UWQTYZOOWRWNPJ-HXUWFJFHSA-N 430.567 0.870 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831393379 KYWGHDZHWQLNSP-AOMKIAJQSA-N 430.505 0.397 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)C1 1832722461 UHCHYAPXJSHOAT-JOCHJYFZSA-N 428.489 0.234 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)CC1 1833357358 LPRJCLISTLZXNF-HNQUOIGGSA-N 444.444 0.861 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc(O)ncn1 1833554779 XXFSFVIVFOKANS-MFKUBSTISA-N 443.552 0.839 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834569700 ORNAPXQKRBJDQL-KRWDZBQOSA-N 429.583 0.176 30 20 ICED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)N1 1834588637 NAODQPHJBILOTB-IXOWOOARSA-N 429.521 0.549 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)n1cncn1 1834715818 LAWGAYGUAGGORG-KRWDZBQOSA-N 444.584 0.693 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835098538 MJNNOEKECDTGKP-QHCPKHFHSA-N 437.452 0.615 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1836295527 MYOWIGKCEDPADZ-QFIPXVFZSA-N 438.488 0.688 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1837209631 XVMJJIVAOXGECJ-WWMYMODYSA-N 439.509 0.276 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1837392276 AAYRSODSQRTEGX-XMSQKQJNSA-N 434.537 0.301 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1837405278 LLMHHELYSWLYCX-NPPFBWRTSA-N 439.553 0.321 30 20 ICED Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440906 GETXKXJINYXSGC-MHRHTVJOSA-N 433.509 0.833 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1C 1837528334 HBAMIKLOOSMCCT-IRCLMUFRSA-N 448.520 0.933 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)CC1 1837580061 UICBIGWBDWURGC-UHFFFAOYSA-N 440.504 0.542 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837772029 HXHPDEKHTWBDFZ-KZULUSFZSA-N 431.461 0.632 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)o1 1838393828 PAJRAXYQYKIBOD-UHFFFAOYSA-N 431.445 0.938 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cn3)C2)C1 1839174345 UXVXADHXLYLZOD-QFIPXVFZSA-N 431.489 0.969 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)c1F 1839224222 PCJHFXBLLGCJGO-VLIAUNLRSA-N 439.488 0.982 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839225579 NKHYOPMZALOHOZ-KKSFZXQISA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839227725 XFNQFVSBUKIXCU-LIRRHRJNSA-N 441.916 0.944 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839227825 ZILYLYIDCBGDOB-KKSFZXQISA-N 447.492 0.277 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1839692181 HCKLXSGXAJUQAH-HSZRJFAPSA-N 441.532 0.390 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1)C(F)(F)F 1839894909 YOLNJIXLGNUALB-QGZVFWFLSA-N 446.382 0.136 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)CCC1 1840812581 YQZMYFUFBWRXEZ-JOCHJYFZSA-N 438.488 0.582 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840905586 MSGZBBHEYXWYLD-DEOSSOPVSA-N 441.528 0.985 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842943920 OVGRMOQOWPHZAL-LSDHHAIUSA-N 437.541 0.252 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)ccc21 1843733791 YBOKBSHXQVAOFK-UHFFFAOYSA-N 438.532 0.976 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845231132 WADYFOWRQIEAQV-OAHLLOKOSA-N 431.493 0.979 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845580914 HCISIKPESJAZDG-CYBMUJFWSA-N 444.517 0.579 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1sc2nccnc2c1N 1847261312 KGRAJSSJOCDZBZ-LDIIPZEWSA-N 426.502 0.947 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 14363814 DOLMPJBEKGWTQW-UHFFFAOYSA-N 435.527 0.778 30 20 ICED N#Cc1cc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 409598131 XHVLLZOKWLCYMX-LLVKDONJSA-N 439.437 0.549 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 437716153 JJKSNVGJIQEMSC-GDBMZVCRSA-N 439.476 0.467 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 442256989 YVCSZAQPWOBPNY-UHFFFAOYSA-N 427.424 1.547 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 446526827 AIAQGUVRFJRYKZ-UHFFFAOYSA-N 427.505 0.822 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 463012060 OSMAALYDKALCCN-UHFFFAOYSA-N 427.486 0.407 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)N(C)Cc1nnc2n1CCC2 472985358 FVQRCXSMCXEBQL-SFHVURJKSA-N 441.467 0.973 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(C(N)=O)cc1 474324899 COWVBLDVYBOIBD-UHFFFAOYSA-N 445.504 0.507 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)n1 479382161 BHKZJFIZAMVSBQ-UHFFFAOYSA-N 439.541 0.362 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(=O)N(Cc4ccccc4)C3)n2)cc1 483909527 AMHRDDVDSIOOOG-UHFFFAOYSA-N 429.440 0.965 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)C2=O)cc1 487172640 MRAVTTWAHXVQSB-RTBURBONSA-N 445.545 0.869 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 487777760 RAMKIAFNXMVOCV-INIZCTEOSA-N 429.564 0.941 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 490825661 OTUPPXZKMOKTQZ-UHFFFAOYSA-N 442.501 0.457 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 491235915 LHJCKESTTJVRGP-UHFFFAOYSA-N 443.504 0.207 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 498060791 DJRHZIONMLGBKQ-MRXNPFEDSA-N 435.550 0.238 30 20 ICED CCc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnn3C)c2=O)c1 502043959 NCLBICISDMMYGU-UHFFFAOYSA-N 437.525 0.461 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1ccccn1 505663118 MZVJFZMWUILJKJ-UHFFFAOYSA-N 436.541 0.619 30 20 ICED C=CCn1c(-c2ncccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508463852 JKKYWCRQQNDZLM-UHFFFAOYSA-N 425.493 0.342 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@@H](C#N)C1 508933217 XIICRPMYUCUQFR-KRWDZBQOSA-N 444.517 0.881 30 20 ICED N#Cc1ccccc1CSCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 510151627 ZUNJNWJIKMNSMB-UHFFFAOYSA-N 431.562 0.977 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccc(C(N)=O)cc2)c1=O 512747665 UIEZZPXIFONZLO-UHFFFAOYSA-N 435.509 0.942 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 524412100 JTICOODCAAUBDY-UHFFFAOYSA-N 438.431 0.088 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2)C1 538112883 VVFKFOMXFJTIIL-KGLIPLIRSA-N 436.490 0.475 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 539131918 XWBWSDMANFJBCF-KRWDZBQOSA-N 446.467 0.446 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1C 555575358 OSGLZXJCGONXCB-UHFFFAOYSA-N 435.531 0.681 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 556313370 CLJHQKBALYEACT-SFHVURJKSA-N 448.545 0.932 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 556365581 YSWAYPYULWTXTJ-OALUTQOASA-N 447.499 0.351 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)CC2)nc1 566073513 GTPWKUFJUSYWNG-PMACEKPBSA-N 440.548 0.486 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c1 577309694 KXJSFZHULHFSQJ-UHFFFAOYSA-N 447.561 0.430 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c(F)c1 581748579 GPGSNIJVYFNKFR-SFTDATJTSA-N 443.523 0.840 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCO1 588812488 GDTMKDJNJQNLMW-MRXNPFEDSA-N 444.536 0.689 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 608869413 LKWQZKFMALODTM-MRXNPFEDSA-N 435.550 0.469 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608910978 AHTCUDSFXXLQGA-UHFFFAOYSA-N 448.932 0.094 30 20 ICED C[C@@H](c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1)N1CCOCC1 609936337 PIJUTKQTBDXQBD-AWEZNQCLSA-N 425.493 0.944 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 609940686 SKSJLZUUBHWKCN-UHFFFAOYSA-N 441.513 0.879 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C 611222470 XJWSUGMFQJRFBY-UHFFFAOYSA-N 440.447 0.906 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 728530864 WOWHEQFXDRRJSU-SFHVURJKSA-N 436.516 0.309 30 20 ICED N#CCc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 735859216 GHJNKDQHPVGHTA-MRXNPFEDSA-N 426.520 0.419 30 20 ICED CNC(=O)CCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 753478941 OBRCNSDNARJGLG-CJLVFECKSA-N 437.522 0.423 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc2n(C)c1=O 754378509 GZQVPUKTYWNAMI-ZDUSSCGKSA-N 428.449 0.217 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)c1 754452683 WRJLDFXLJUPEJD-KWMCUTETSA-N 434.543 0.760 30 20 ICED Cn1cc(-c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc1=O 771188349 IHWYHOLAUYVCEP-UHFFFAOYSA-N 444.473 0.987 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCCC1 779318007 MWRJASSFFJNOTE-FQEVSTJZSA-N 430.486 0.910 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)cc1 790365315 FRYOOOURRKXZQH-OAQYLSRUSA-N 445.545 0.739 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)c2)C[C@@H](C)O1 793211818 FWFSBKXHZJHLKI-OKILXGFUSA-N 441.531 0.848 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)CO)c1 797377809 QWKXSSAMFDWDKN-QZMYASAMSA-N 440.522 0.078 30 20 ICED C#CCN=c1nc(N2CCO[C@@]3(CCO[C@@H]3C)C2)[nH]c(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 804679855 KIPONNRAFWVLML-ZYOFANERSA-N 444.536 0.107 30 20 ICED C[C@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccc(F)cc1 815260776 UWHNHYCTXWBSCK-UONOGXRCSA-N 426.470 0.920 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n(CCO)n1 821571328 JXJOEDSAVCIALR-XQNSMLJCSA-N 448.505 0.574 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1293243833 UDIABKPSFMAPOS-QGZVFWFLSA-N 425.493 0.968 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1302497638 ZERJCRCYHUXAEW-ZWKOTPCHSA-N 446.533 0.750 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541711566 AELXLIYLLUMBRJ-MRXNPFEDSA-N 445.553 0.239 30 20 ICED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1628651179 OPHDPFONFUNIOY-APWZRJJASA-N 432.546 0.184 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1665230900 MRASXUGNWVBEPA-HNNXBMFYSA-N 429.568 0.443 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1708279176 LUIMIFIFFCCJDI-ITEAAPOESA-N 440.504 0.970 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773365 YHOFCLLEQIASET-VGSWGCGISA-N 425.489 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777956732 RLYOLWDJCAOPDS-RHVSLNNASA-N 427.505 0.211 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101566 RKSKWUNLSZNCHW-HAXZGJKISA-N 445.476 0.153 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1780172703 XUCVYJVOAYTFPL-QFIPXVFZSA-N 437.456 0.267 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)cc3O)C2)C1 1780548665 GPNXLDFUHNRMCL-DYRFGFBLSA-N 429.473 0.703 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782319604 XNZIQVFRSBWINL-QHCPKHFHSA-N 426.517 0.971 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21 1783531589 KTDBMWCOBQQEJZ-UYBBGVAXSA-N 437.500 0.786 30 20 ICED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783901750 WYPHJQBWFLUBOL-XLIONFOSSA-N 448.582 0.221 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]3C2)c(C#N)c1 1786743504 SYCSYKZYXBBFBP-SNRMKQJTSA-N 428.489 0.177 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787224304 VIXHUAQLVKQRNQ-VGWMRTNUSA-N 446.508 0.315 30 20 ICED CC(=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 1790867658 ADHOEZZWKITLBO-BPODSCFKSA-N 430.480 0.744 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147085 LGOKJICBOJSHHW-CAIZAGQASA-N 440.500 0.607 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794035465 PJCZMALXKMHJEW-LORHWOILSA-N 432.521 0.297 30 20 ICED 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]1C=CCN1 1796317415 YZBQNNNHLWNCFV-RZFLPCETSA-N 432.521 0.021 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)cc1 1796571056 TUWXUSKDJPCFBY-BJWYYQGGSA-N 446.471 0.569 30 20 ICED 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]1C[C@@H](O)C1 1797146810 WBEYNGMWWDZSDN-ARAZSQDJSA-N 437.537 0.816 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797329918 HXYUDLWLVKWQST-WQDJSCAQSA-N 427.501 0.958 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800452541 NDCMQPYTMNBBMZ-ZSBFGKGUSA-N 444.488 0.804 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802679356 HTLBKJGAPBVXMZ-ZIFCJYIRSA-N 431.537 0.932 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804196816 QMVHIUZKGMHIQR-DENIHFKCSA-N 446.573 0.621 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1814323898 ZJQQZZSFGVDSLZ-SGEFVQMOSA-N 427.552 0.571 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1819516423 RNLRASBBSXYJQN-WFASDCNBSA-N 439.432 0.098 30 20 ICED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cn2[nH]cnc(=O)c12 1822200711 LXUNSAPUQVOKHX-AWEZNQCLSA-N 437.416 0.448 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829982154 ZMSBPSNSMFHAHO-LLHWWHOWSA-N 427.448 0.347 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831418630 GBHOFOXYSVBEHF-PGRDOPGGSA-N 437.537 0.437 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)CC1 1831495625 GBPTZWLZZXTLLR-DNVCBOLYSA-N 428.551 0.741 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587348 JCLHNMKFMZUGHK-CMEFWWCBSA-N 448.476 0.386 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1834756095 QFOIPCFKAXGVFT-XXBNENTESA-N 440.500 0.405 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)Cc4cscn4)CC3)CC2)CC1 1835049300 UKWLUOVDLGFXCE-SFHVURJKSA-N 430.578 0.888 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835364380 SOKMKAHPEMSHJN-JOCHJYFZSA-N 431.489 0.972 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677367 PBLKHSUZZUVHGS-NRFANRHFSA-N 435.500 0.516 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1835753806 FPCCRRCRVJTUPR-OAQYLSRUSA-N 449.548 0.856 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835849920 OAKLUYRMCAQMBV-OAQYLSRUSA-N 444.875 0.890 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836101214 ZEVTYFSDEPZLKO-CQSZACIVSA-N 444.561 0.593 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866693 KDBCZUYMULVIIK-XLIONFOSSA-N 433.534 0.754 30 20 ICED Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837228504 ARTLWOPTFXQDLM-UHFFFAOYSA-N 431.541 0.709 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1837403580 NWNMFEQKHIYCJS-SFYKDHMMSA-N 439.597 0.994 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837441736 CDLFLEOYOLIAKH-NMWDDECMSA-N 431.537 0.875 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489733 SLXQISNNWSILFJ-QFIPXVFZSA-N 446.504 0.076 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610104 ISQKQJXKOQTYLC-PNLZDCPESA-N 445.520 0.264 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1838640985 IHYAHPCTOCZXDM-JOCHJYFZSA-N 437.456 0.220 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1 1838907565 ZHPBLMSWDDCAHG-JOCHJYFZSA-N 437.456 0.741 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c(Cl)c1 1839423744 UGQKNEHIHUNAIY-FQEVSTJZSA-N 444.879 0.573 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839633864 VMDYBWSOXMMBBK-XUZZJYLKSA-N 436.512 0.622 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1839809837 NRDBIJSQIKWUJZ-MJGOQNOKSA-N 437.290 0.572 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1)C(F)(F)F 1839895287 UMISUEYGYAAZEG-MAUKXSAKSA-N 435.443 0.866 30 20 ICED Cc1cc(C)cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044189 PFDZFLMFVMOUBG-QHCPKHFHSA-N 428.485 0.780 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1840157696 XWVVUPWXMFNIHM-LXEPCSFTSA-N 425.463 0.976 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840167970 YKTGAYXEOPEXCV-JOCHJYFZSA-N 429.473 0.726 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840425725 BSHPUGWESZLNFS-ZHRRBRCNSA-N 439.472 0.819 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447948 OMSPJDLUMGHRBB-JOCHJYFZSA-N 438.488 0.619 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840597356 HTRBBMRGLXZSLW-HSZRJFAPSA-N 443.500 0.699 30 20 ICED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CCC1 1840616495 ZJCUNIYTFQGZOY-QFIPXVFZSA-N 436.553 0.684 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4COc5ccccc5O4)C3)C2)CCC1 1840812224 GIWMNMVUHHKWIV-XXBNENTESA-N 441.484 0.977 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840842900 IFXGQRAOVPHFNX-OAQYLSRUSA-N 445.428 0.807 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846160029 IEVNWDNEJNRUEQ-QVKFZJNVSA-N 431.489 0.925 30 20 ICED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27105396 HSABXLZWRSAKJM-CABCVRRESA-N 447.517 0.962 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)ccc1F 108739835 LQAQEMIBXXIKCB-UHFFFAOYSA-N 448.524 0.632 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c1C 437252986 RNSWNTMFBGEBRT-UHFFFAOYSA-N 440.504 0.452 30 20 ICED Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1S(=O)(=O)NCC#N 438378060 WGNJKFKBBNNTGY-OAHLLOKOSA-N 432.506 1.303 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H](CC)CN1C(C)=O 441233102 MPCNFJRUWKNBMY-OALUTQOASA-N 437.504 1.384 30 20 ICED N#CCC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 476825712 QNDWXCOYIUPDRC-CYBMUJFWSA-N 448.423 0.105 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 488374971 SGRFEGKULLXAFR-UHFFFAOYSA-N 443.525 0.617 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 504562887 GYDKPNMYEOVJCW-HXUWFJFHSA-N 449.515 0.248 30 20 ICED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CC1 518510984 OACLLHRTIKDZRM-HDICACEKSA-N 443.614 0.708 30 20 ICED CCc1ccc(O[C@@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 524247356 USBLWPLRFCRPEQ-HNNXBMFYSA-N 425.489 0.634 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCCO2)c1=O 534603097 IMUIAJDSZSYWAZ-QGZVFWFLSA-N 443.573 0.971 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(=O)(=O)CC)CC1 549252402 OQWXYLFPNJVMQD-UHFFFAOYSA-N 443.537 0.969 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 558778222 OBCOODGALATVIG-CVEARBPZSA-N 448.615 0.351 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)CC2)c1C#N 562101262 BQMTUWIEJUHSND-CVEARBPZSA-N 429.525 0.012 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N3CC(C(=O)NC(CC)(CC)C(N)=O)C3)cc2C1=O 568121915 PMDZKROEUVVMCD-UHFFFAOYSA-N 426.473 0.701 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 568404787 MCXVCCFETHAHNS-DLBZAZTESA-N 427.505 0.127 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)C2)cc1 569631127 ANGZPKYVBFLAHK-UHFFFAOYSA-N 430.490 0.541 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)nc1 609944456 QCWLUOBDUQUUNJ-UHFFFAOYSA-N 435.423 0.792 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1 645072604 RIORDIZKSPIFDF-NSHDSACASA-N 427.490 0.869 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 731726036 PVEKGNRAHSZUDK-LJQANCHMSA-N 436.424 0.621 30 20 ICED COc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 731772253 LSQPAVMNEDLMGO-UHFFFAOYSA-N 435.462 0.223 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3cccs3)c2=O)cn1 732563204 UCLLDCIYGMIJRA-UHFFFAOYSA-N 443.554 0.502 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 742301000 CKMIAZSZRMKBML-UHFFFAOYSA-N 432.481 0.835 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)ccc2c1=O 744624171 FQRRQENBYIHXBQ-YUNKPMOVSA-N 427.486 0.979 30 20 ICED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746447577 BLJKAPDIRVQURZ-HZHRSRAPSA-N 437.522 0.326 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 748809850 LSLKEUIXLMARCX-UHFFFAOYSA-N 426.489 0.049 30 20 ICED Cn1cc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 749580879 ZRSZDMXZGSJEJK-SREVYHEPSA-N 443.485 0.381 30 20 ICED C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 749752135 QUDUJPYPJPRXHZ-IGBNYLIKSA-N 437.522 0.598 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 749862339 PCYSTGRMICJNAR-MRXNPFEDSA-N 441.557 0.849 30 20 ICED C#CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 749873335 FEMYIVHGQJCRAU-IBGZPJMESA-N 430.530 0.505 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)OCCCO2)c1 754036992 RZGWVSGZFYENDT-JWGURIENSA-N 438.506 0.707 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 764593439 DEVYQNGMRLPHKN-INIZCTEOSA-N 435.550 0.286 30 20 ICED Cn1c(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(C#N)c(=O)n(C)c1=O 766443037 GNCWNFFKNFURSS-UHFFFAOYSA-N 432.380 0.740 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 766990801 OXLXCXMSXHGPEF-UHFFFAOYSA-N 434.455 0.737 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(C(C)(C)C)n1 769637085 NUDZZUBNUMUBDJ-UHFFFAOYSA-N 441.557 0.638 30 20 ICED CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843535 ODKDVJGYUWYYMW-LJQANCHMSA-N 443.481 0.696 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 772112792 FSHZPDYULSGIHM-UHFFFAOYSA-N 438.484 0.249 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(=O)N(C)C)c2=O)cn1 772304313 UDVDVJMRPHSOKX-UHFFFAOYSA-N 433.493 0.681 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)c1cc[nH]n1 780802245 RGOYPWAEDXAUPN-CQSZACIVSA-N 432.506 0.553 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 781465327 YFSAKJKKHGLYQX-UHFFFAOYSA-N 433.490 0.086 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)nc1 786655274 KRZNPHNIXSXMKU-UHFFFAOYSA-N 441.492 0.242 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)cn1 786909770 UACGWUDZPKDNBH-UHFFFAOYSA-N 435.893 0.982 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)CC2)c1C#N 788536763 NRNJDXXSQRATIO-IRXDYDNUSA-N 426.502 0.953 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 791047952 ITJZHDWELISUNO-SFHVURJKSA-N 443.533 0.579 30 20 ICED N#CCN1CCN(C(=O)c2cc(Br)c(C(=O)N3CCN(CC#N)CC3)o2)CC1 792190160 IMEZKPWCQHGXPY-UHFFFAOYSA-N 449.309 0.605 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CNC(=O)C(F)(F)F)CC3)CC2)o1 799174908 VESOMPOJQSDNSB-UHFFFAOYSA-N 442.442 0.894 30 20 ICED CS(=O)(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 804697946 WNKDUZZHRFWYQB-UHFFFAOYSA-N 427.548 0.979 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 807302964 AFVXLBHTLULOQI-ZDUSSCGKSA-N 439.387 0.715 30 20 ICED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808236923 UFMZBACNZGOGRP-QGZVFWFLSA-N 434.518 0.057 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 810414369 RICBZTVADYBOMR-UHFFFAOYSA-N 425.438 0.605 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cc2C)c1=O 838182847 ISGSUUCTPBAWSN-MRXNPFEDSA-N 429.542 0.827 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)c1 918956815 NGYCAEJUNSHSPU-UHFFFAOYSA-N 438.483 0.838 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 920832800 AGINUJTYNSQETL-UHFFFAOYSA-N 449.395 0.534 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCCS1(=O)=O 1290865666 VMDMRGDSIYBGEF-GDBMZVCRSA-N 430.538 0.931 30 20 ICED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1292227141 ZHUMEQYFEBKHJZ-HZPDHXFCSA-N 426.543 0.776 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1315631668 MWLMFXCLYUOJLT-MRXNPFEDSA-N 436.476 0.759 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)NC1CCN(C(C)=O)CC1 1318769907 CCLHUVUMAZLMBV-UHFFFAOYSA-N 445.545 0.956 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1359151092 MWVZQFAPKUYIPR-OAHLLOKOSA-N 446.961 0.422 30 20 ICED C[C@H]1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512010775 MKPUJSHWGUMPFK-XFIYOXNOSA-N 426.543 0.821 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1569500881 ABKLUHGJVORJJH-DZGCQCFKSA-N 433.511 0.912 30 20 ICED N#Cc1c(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)sc2c1CCC2 1616498067 UDXXFFDKQMZZGM-JKSUJKDBSA-N 438.575 0.213 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1644912374 ZMKGHCYXWQXGLX-SFHVURJKSA-N 449.920 0.595 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1655722361 JXBJQLAWXQANNV-CYBMUJFWSA-N 430.280 0.763 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 1662427761 ZTCRLCWPWOGEEG-ZIAGYGMSSA-N 435.321 0.897 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)no1 1693046328 JPLSDBVJHVLZPU-WMLDXEAASA-N 439.473 0.398 30 20 ICED CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697006571 VUXQSCGMNSQSQN-UHFFFAOYSA-N 448.535 0.640 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1712711323 JKQUJOBKYPTLJV-IAGOWNOFSA-N 443.533 0.613 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)CC)CCOC1 1728779152 KNASQWYDQDLXAN-SFHVURJKSA-N 426.543 0.609 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1748088530 PXYPFKUMHLCHBH-CQSZACIVSA-N 426.543 0.319 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1771112604 TYBIRNULCJKYEO-MRXNPFEDSA-N 426.543 0.922 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777886950 NCJUHDUPJWRAGO-QMHKHESXSA-N 440.500 0.968 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1779239857 IAEVAFFUNSXUBJ-NRFANRHFSA-N 428.493 0.854 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1780807108 HUFPWWGICZKDRM-GCKMJXCFSA-N 434.493 0.226 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1781398856 XKCMCAUIEZOHMF-JTSKRJEESA-N 446.552 0.963 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CN1 1781777778 KDEGJGXOUBLWRD-JBYIUTFZSA-N 431.533 0.335 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782677227 VGBSSSHNXXKTSB-NRFANRHFSA-N 441.419 0.715 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782788587 FKRNVLSQTFGDEA-NRFANRHFSA-N 430.461 0.780 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)[C@H]1SC(=N)NC1=O 1783123329 TXBUWWVSQKVMPZ-UVUXSLJKSA-N 447.561 0.997 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783340438 FMEVBAUWHBHNIM-KQMYUEFMSA-N 445.516 0.949 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1784199949 CTYIYBURXLRPNS-QFIPXVFZSA-N 425.489 0.968 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1784476524 LJUGYAKPRZRZCI-YCRPNKLZSA-N 426.452 0.922 30 20 ICED CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784550484 MLEVBDQRIYSUPG-DTXGPQKQSA-N 425.526 0.902 30 20 ICED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785217198 YCTWAZMJVOGCJW-HLCXQTRCSA-N 444.448 0.483 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785420054 UWOFMTOEMTVZOF-YHJZKHPBSA-N 449.504 0.764 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21 1786857776 DCBKAQIHCYNZPV-LWYYNNOASA-N 428.533 0.982 30 20 ICED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)c2ccccc21 1788138844 MBGKRBPSIFZAOR-WFXMLNOXSA-N 436.512 0.733 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788564820 XESPAAKKRIPPMW-WOYTXXSLSA-N 425.530 0.475 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789087981 BDBFAMOBMWDNAB-VGWMRTNUSA-N 447.492 0.580 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789799664 LGTOQPIYRRJMJD-HVTWWXFQSA-N 436.597 0.175 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791072983 JMPHZLJABRNZFC-JYJNAYRXSA-N 449.504 0.359 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H]21 1791076470 HGFZYIJCDROHPD-NOLJZWGESA-N 430.848 0.669 30 20 ICED COc1ccc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)[nH]c2c1 1791076905 PDYHRPSLKNPNFE-QOKNQOGYSA-N 425.441 0.858 30 20 ICED Cc1ccc(OC(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nc1 1791079046 XPHUHBGTQGFTOS-ULQDDVLXSA-N 429.473 0.615 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1791263650 IYRWBYYCKABIHM-VGWMRTNUSA-N 445.582 0.826 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 1792243375 UVVMEZIADOIZEM-CGKUUYIJSA-N 427.413 0.676 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C)cn1)C2 1792484610 QGQSUWTZPDFUDC-NOOKGOPLSA-N 426.517 0.771 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cc1 1792558965 ZHVRLXYSVOFVGH-UPHUGPLXSA-N 438.444 0.495 30 20 ICED COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1OC 1793661112 HKJIXDUZRZRJID-MFKICJERSA-N 430.457 0.314 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc1 1794460687 YHDGIZRZUUMRHU-JBXAFTOGSA-N 445.520 0.880 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796385521 YEGIOUWUQFZMCH-OQMKEHIESA-N 436.534 0.663 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nn1C 1798322978 XYLFCADGKABPGR-OZHCATNZSA-N 433.509 0.715 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H](N)C(N)=O)C3)c(C#N)c1 1800031923 AFWDBJBVAHYWFS-ZMMAXQRCSA-N 427.505 0.340 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801366883 XTKNRWYAVBGQLU-YXSRQCCNSA-N 446.504 0.968 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1803502371 KDYBXKOWEXZXKI-BPAFIMBUSA-N 432.546 0.829 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)O1 1803646958 SZPXNEUYHMJULE-ONYHTHEBSA-N 425.445 0.908 30 20 ICED 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](CC)NC(N)=O)C2 1804372342 NEHAXYUXNRGJKF-JJTUDDRGSA-N 449.552 0.988 30 20 ICED CN(CC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1)C(=O)C(=O)O 1809777023 BYXKFKAVAVTQLB-UHFFFAOYSA-N 435.525 0.042 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810332106 RDUNHNCUXUHXIQ-IPJJNNNSSA-N 438.528 0.922 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810864743 QTTRKNAPVSOPGH-DLBZAZTESA-N 435.569 0.420 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812391820 CRFJBGDWZHSADW-UYAOXDASSA-N 449.467 0.816 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2c(O)cc(O)cc2O)[C@H]1c1cccnc1 1812880677 SGQIKOLVGGEFKZ-XCLFUZPHSA-N 425.397 0.606 30 20 ICED CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1817016250 DGGSGCHJVRBKFQ-SQYMIKHXSA-N 435.554 0.974 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758483 JFCXFIOPNFWLCQ-INIZCTEOSA-N 431.465 0.861 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830004475 JWSMKSPJTVVUNL-AVRDEDQJSA-N 438.569 0.976 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830641821 CXLCQAHTAAHMBC-QHCPKHFHSA-N 434.581 0.459 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831187246 IETGDNWRFVATQY-GAJHUEQPSA-N 442.516 0.737 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(C)cccc34)C2)C1 1831398381 AJNAPEYMJABQNV-UZUQRXQVSA-N 440.500 0.980 30 20 ICED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1)[C@H]1SC(=N)NC1=O 1831669646 VYDNBBQIJTXUFQ-RVSPLBMKSA-N 434.518 0.497 30 20 ICED O=C(CCc1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832812484 GDISIUBWOZWPGM-FFCJBUTOSA-N 429.477 0.511 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166325 CVXILINHWXPIDK-XZEIMLRBSA-N 427.461 0.188 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833386130 MRBMKPXBKKSMPE-FQEVSTJZSA-N 436.534 0.376 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834038969 SLCQMJDTVJNEKN-SGCYSOCQSA-N 429.521 0.932 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834239386 QQAGUCYBCSYLOX-OAQYLSRUSA-N 427.436 0.815 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)N1 1835114892 SQVKEBVSRNIZBZ-PGRDOPGGSA-N 445.903 0.427 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835357124 HICCICMDCDRSQB-QFIPXVFZSA-N 439.472 0.539 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513371 YFHLFHRQUKMBRP-UHFFFAOYSA-N 431.581 0.136 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)CNC4=O)CC2)CC1 1835626467 IZURVVWKGFVOPH-UHFFFAOYSA-N 438.484 0.203 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835675212 XIFPECNRLQEHPI-CVDCTZTESA-N 444.532 0.458 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680779 LOILIJMLUCHRIO-PGRDOPGGSA-N 446.552 0.257 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5cc(F)ccc5n4)CCO3)C2)CC1 1836959165 CYZMWXGTFVLWJU-NRFANRHFSA-N 427.436 0.847 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837442373 WNLGOVQAJNLLID-XQDKNNEISA-N 444.532 0.648 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1837488820 SXJNASMVTFJKNL-OAQYLSRUSA-N 433.530 0.912 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1F 1837561236 DZWZODIPCIUSAV-ZYNADVRWSA-N 447.467 0.650 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837567421 JWESYLWIXBVEMI-NHMXVPMISA-N 446.548 0.887 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837737953 KGPDVSOFGCDEIO-HMFYCAOWSA-N 430.505 0.377 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838391918 BABQFVOCCXYPKB-BXDFRRGMSA-N 435.569 0.981 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1838627341 UNHMFRFOEAAGJK-SJORKVTESA-N 426.627 0.939 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738221 XXBGBNFKAJXGCF-YCRPNKLZSA-N 439.476 0.247 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1838951180 CIMXZSJSOVWWMZ-FQEVSTJZSA-N 440.416 0.573 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838996711 BQBGEKJNOOUGLD-DYRFGFBLSA-N 449.454 0.893 30 20 ICED COc1ccc(/C=C(\C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839726428 MHNAKEIMLUBTFG-ILAWTMEDSA-N 442.468 0.643 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810807 SUMYFBRRYQKKRA-MOKWFATOSA-N 447.532 0.864 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1840041931 QEHBMEYWMMSJAA-FQEVSTJZSA-N 446.847 0.146 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)c1cc(OC)ccc1OC)CCO2 1840148253 KSZJYZNGOQRBBO-QHCPKHFHSA-N 444.484 0.756 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840162025 JLZINXNMJJCQJZ-VBKZILBWSA-N 447.517 0.828 30 20 ICED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840211565 GUFJAZBPIJEFQK-SZNDQCEHSA-N 427.461 0.539 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840364637 KWOSRMHROLIODT-HYFFOGBASA-N 447.536 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cc1ccco1)CCO2 1840467127 LRGXUASIVZGXCT-KGPYNAKISA-N 445.516 0.773 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716895 WSPNTRJWBVHWDR-OPAMFIHVSA-N 428.489 0.520 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840801174 ONHNFWOYQWXBJP-QFIPXVFZSA-N 435.521 0.771 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816406 QWLYJCTXPMNRAM-JOCHJYFZSA-N 429.521 0.730 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 7189332 OVAMIJMEPIIVSQ-AWEZNQCLSA-N 425.507 0.621 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 15527753 WSPIZGLPMSLTBM-UHFFFAOYSA-N 426.498 0.750 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 27738793 GUFJPFSAZXZWOD-UHFFFAOYSA-N 428.470 0.569 30 20 ICED COc1ccc([C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)cc1OC 409542736 IPEIUHCIQBHARY-DLBZAZTESA-N 440.522 0.136 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCCO1 433645541 CSJCRSXHLSLSCN-OAHLLOKOSA-N 428.468 1.439 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 434009133 VJCIVAIQDQFQSL-KRWDZBQOSA-N 425.532 0.500 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435483133 ZEZCBWQKEQUXQH-UHFFFAOYSA-N 429.477 0.481 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1=O 440257940 HBSQMLLUAPEEBE-KRWDZBQOSA-N 432.452 0.482 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCOC1 441944150 WAIJGAPNXNNHOV-HNNXBMFYSA-N 440.481 0.660 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CN1CCOCC1 443301816 WYXBGODSRRPCLG-QGZVFWFLSA-N 430.383 0.595 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 465509236 ULBNTAUDDXYAIO-CQSZACIVSA-N 435.531 0.792 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 472401977 AGWPIJBISCBXIG-MSOLQXFVSA-N 428.489 0.759 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1C#N 472854465 UTNRJFSPOIGWIT-UHFFFAOYSA-N 436.476 0.078 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 475408795 VCFQRKGIAZSGCX-ZUZCIYMTSA-N 427.280 0.977 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OC)n2)c1=O 479368938 XYQGKAWDGJDPGR-UHFFFAOYSA-N 430.530 0.769 30 20 ICED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)cc1 503255150 OQEZLYFPGVVZNT-UHFFFAOYSA-N 435.440 0.938 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3c(C)cnn3C)c2=O)cn1 505661107 NARFGNRRRQAIDJ-UHFFFAOYSA-N 439.545 0.433 30 20 ICED Cc1ccc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 505788955 DAISOASEHVDIBF-UHFFFAOYSA-N 445.501 0.700 30 20 ICED C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 506875677 OJYLJLLRIITJTM-UHFFFAOYSA-N 448.484 0.989 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2=O)cc1 508252372 OYGOBPREKQEUGA-GOSISDBHSA-N 442.501 0.726 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 510797573 NMVMFWIPACCMGO-BRWVUGGUSA-N 439.607 0.907 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 511083918 YFLVXGDRPOTKQU-UHFFFAOYSA-N 427.482 0.410 30 20 ICED N#C[C@H]1CN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@]12C(=O)Nc1ccccc12 513721501 XJJYCORIFNSZKB-XOBRGWDASA-N 425.470 0.889 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@]12C(=O)Nc1ccccc12 514017847 MCGTWVRYUDZHNR-NVRCGLLASA-N 445.479 0.849 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516484716 LSOWQMNMXAIOGD-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCn1c(=O)c(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c(N)n(Cc2ccccc2)c1=O 521799046 ZWSLHBXHYCBOAU-UHFFFAOYSA-N 434.456 0.589 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523090710 SOALGJCFAPRDMW-UHFFFAOYSA-N 441.509 0.499 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 526038148 NEJSKNKGMGVECX-INIZCTEOSA-N 448.504 0.442 30 20 ICED COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 539481891 AXSHAOYZZGTLSY-IRXDYDNUSA-N 440.591 0.592 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(N)=O)C1 549639709 YLEJALAOMYZFIS-MRXNPFEDSA-N 434.522 0.462 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CCO1 550512986 LHJBKHJOLBPAHR-QGZVFWFLSA-N 449.515 0.538 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2)c1C#N 555059541 PJPQHVYMZQSHCN-UHFFFAOYSA-N 442.501 0.865 30 20 ICED CN(CCC#N)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 559017423 PAXQPLFIQBVAMO-UHFFFAOYSA-N 435.488 0.678 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 562208702 WYGJYAFVUGNXBY-QGZVFWFLSA-N 431.522 0.717 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 564468786 QDLDCBUULJWFQH-UHFFFAOYSA-N 430.490 1.489 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 574713467 MAWMDVUPMATVGO-CWLKWCNXSA-N 430.457 0.819 30 20 ICED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576868272 PLJHVEIJMTXFMN-UHFFFAOYSA-N 445.443 0.998 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 608889563 CPUBAQCTMKZXJV-UHFFFAOYSA-N 442.497 0.625 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)CC1 610682550 RBXCADFHQNCCPB-OALUTQOASA-N 448.545 0.271 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 674292991 ZENXVKHFIULORV-CZUORRHYSA-N 428.468 0.259 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1=O 677592890 CSCJREIALFHBIX-MRXNPFEDSA-N 434.880 0.494 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O 729673575 WFEUJGBRTGIQLM-UHFFFAOYSA-N 431.539 0.068 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1 729980210 NIRWYIYPTSXJMZ-UHFFFAOYSA-N 436.511 0.810 30 20 ICED COCCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735590000 NPGWXAHFXHWWBB-OQKWZONESA-N 439.538 0.132 30 20 ICED CCNC(=O)CN1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742531366 HQZLLNDODADHMH-HNNXBMFYSA-N 435.550 0.174 30 20 ICED C[C@@H](CC(=O)NCc1ccc(-n2cncn2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 742543649 JKNSSCRXPWFXDD-ZDUSSCGKSA-N 425.474 0.796 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 749561976 QWSIYRWYKYSMSJ-NHQZAOEJSA-N 438.440 0.937 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCNS(=O)(=O)CC)cc1C#N 752401503 UUSCMEYJWYUATB-UHFFFAOYSA-N 425.467 0.511 30 20 ICED Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 756847921 MDGNDCAJJBFWPT-UHFFFAOYSA-N 439.465 0.891 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 758053484 JAKXDVNQQSBBOH-UHFFFAOYSA-N 443.912 0.567 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 758072544 WFOQAZJGVHZCCR-UHFFFAOYSA-N 427.489 0.782 30 20 ICED COCCCS(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 769844490 ISWFDBVSMTWGBW-UHFFFAOYSA-N 449.533 0.264 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCC1 771077958 HJQBUGBGGQNRBC-UHFFFAOYSA-N 432.549 0.506 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 780106270 OLBKENICPGONQI-QGZVFWFLSA-N 436.490 0.180 30 20 ICED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 782636486 VMMDMCJIPOBZRR-GTMGWDBPSA-N 435.506 0.175 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 783011072 IQKAWTNZHHZOMW-UHFFFAOYSA-N 445.563 0.702 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 783478955 HJQRXUDBEOEFIO-OAHLLOKOSA-N 436.486 0.848 30 20 ICED Cn1c(=O)c2nc(COC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)[nH]c2n(C)c1=O 785269641 OZTUMYWLKFJTPD-UHFFFAOYSA-N 445.457 0.395 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCOCC)c2=O)cn1 794612152 FHEHDPVULSHKPU-MRXNPFEDSA-N 428.514 0.742 30 20 ICED COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802458155 PJCUFRSRFXLVEF-RHSMWYFYSA-N 434.522 0.984 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc1 807847033 RKSJXQNWSXDGPK-LJQANCHMSA-N 434.500 0.831 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c1 816128527 NOIXHLUZKZBJBD-UHFFFAOYSA-N 438.443 0.835 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(=O)nc1O 1135915031 WWHNZHXLAFURGO-UHFFFAOYSA-N 425.445 0.326 30 20 ICED C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1301442983 ISBNJJHVJJETPS-RISCZKNCSA-N 432.424 0.752 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2COCCO2)cc1 1302994184 JQJRKUCBFQXJEE-SJLPKXTDSA-N 426.477 0.846 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1324683165 ZHUKQHOCXGLUCT-HNNXBMFYSA-N 435.506 0.974 30 20 ICED CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1517563028 PIAJUGMKSJBNTC-UHFFFAOYSA-N 445.549 0.815 30 20 ICED N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1521138141 ZGTOZEBPRISGRE-FXAWDEMLSA-N 431.518 0.342 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)CC2=O)cc1Cl 1556961748 IZRBGLXJKJOICK-XOKHGSTOSA-N 437.905 0.979 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1617444819 UTVUGHOSROINES-MUUNZHRXSA-N 437.547 0.732 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617709958 RSTNHJNMOZZFPP-KRWDZBQOSA-N 430.538 0.408 30 20 ICED CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1680205942 QPFXJTNVRUGUOH-RTBURBONSA-N 440.504 0.799 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)Cc1ccccc1 1751236143 PFOXVTPKIXDTBF-SJLPKXTDSA-N 447.565 0.749 30 20 ICED 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1835339523 ROCBXUSVTXNVLD-YCRPNKLZSA-N 436.509 0.660 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347966 LHRFKSPSHVDYGS-JKSBSHDWSA-N 431.489 0.502 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998368 WMBFHTJXFFDOHL-UWJYYQICSA-N 434.493 0.106 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836109862 OHYITNZEQVVVQX-LPHOPBHVSA-N 440.591 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447119 GOFCBQDMJZUOQO-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1837073175 JVNPXZSBUCGTLZ-UHFFFAOYSA-N 435.546 0.829 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1837382973 DIKJNDCLOGARRI-UHFFFAOYSA-N 433.509 0.937 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837438138 SHGIHNATSOVVPU-HSZRJFAPSA-N 427.501 0.886 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)ccn1 1837531273 GRXIYOUUZRPTBU-ROZQTZPBSA-N 446.504 0.989 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837561454 MDWACIUCMGTKJZ-ZJHLSYPMSA-N 443.460 0.394 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1oc(C)nc1C)CCO2 1838006674 SHTGRCNCZIBRSW-OAQYLSRUSA-N 435.477 0.871 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cccc1=O 1838906470 LOUIPYPJVYXMPG-QHCPKHFHSA-N 436.468 0.641 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)CCC2 1839583333 DRQSFOUYJZUEPU-JOCHJYFZSA-N 438.488 0.492 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cc3ccncc3)CCO2)C1 1839656006 AQYPQPHHVWVHEB-YYDVJCTNSA-N 429.517 0.755 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839858994 KUYXRIVNHBKODQ-NRFANRHFSA-N 437.613 0.630 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839869863 GNEALBLBPPKVKP-GCJKJVERSA-N 449.624 0.630 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839878728 GOPMGXAZVYPKMH-SZNDQCEHSA-N 448.907 0.806 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839889100 BAMDDWXDDQLZJQ-VOFKWLDRSA-N 427.448 0.489 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840061189 HZTDNCOFSUSJPI-NRFANRHFSA-N 431.493 0.139 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840160350 FNYVNLAHQHNPRH-FOIQADDNSA-N 431.518 0.656 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C)o1)CCO2 1840505610 WRDWTEQDPVYCCL-DYRFGFBLSA-N 431.489 0.445 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(OC)c3)CCO2)C1 1840681048 JEZRSMOFAJIKMB-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccccc1=O 1840814671 VFJCCZQATBIILF-JTSKRJEESA-N 428.489 0.560 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc[nH]c5C4)C3)C2)CCC1 1840816423 RWMZVZGQRWPAEY-KSFYIVLOSA-N 427.505 0.665 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1841600050 CKHINCADNQBAHE-SQNIBIBYSA-N 449.548 0.846 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842059155 ZPHZZALYZBNODM-BBRMVZONSA-N 430.505 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845189278 PMGQHWLSNMTWKW-UHFFFAOYSA-N 432.433 0.469 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O 115117632 BQPOUALZRUSBHO-UHFFFAOYSA-N 437.250 0.823 30 20 ICED C[C@@H]1CC[S@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433171992 CURMXVJRVJROCB-HJWYETAXSA-N 438.575 0.234 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(C)C 440396540 FNRKUXASQDMANY-UHFFFAOYSA-N 429.542 0.978 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441924086 PFEGDIQNRLRTEN-AWEZNQCLSA-N 433.555 0.664 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(N)(=O)=O 461651856 FVVWMJPEUQAZDD-ZDUSSCGKSA-N 445.505 0.425 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 470421685 GMDJVVZMZYYPPJ-BHYGNILZSA-N 425.507 0.097 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1-n1cnnn1 472862052 KQAYVUPBICPCGH-UHFFFAOYSA-N 434.464 0.172 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)s1 479012570 JPLSLZBXOLHBCG-LBPRGKRZSA-N 436.581 0.726 30 20 ICED COc1ccc(C(=O)N2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)c(OC)c1 481123727 XJVFUKQSIYSATL-UHFFFAOYSA-N 427.465 0.771 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCC[C@@H]1O 481538681 FMGLUHAMTJLZDX-MOPGFXCFSA-N 434.562 0.874 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCCO1 505701696 YPCBKRYINCPLMA-MRXNPFEDSA-N 443.573 0.940 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCOc2ccc(I)cc2)CCO1 509320444 ASSLMOCCHAISEN-ZDUSSCGKSA-N 437.259 0.729 30 20 ICED Cc1ccncc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 517347092 FESIVXFQJOGGST-HXUWFJFHSA-N 446.511 0.828 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C 519945376 HLCYMGSRPWHGKC-UHFFFAOYSA-N 436.396 0.762 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)C2)nc1 521281256 LSRMANAAJOXURR-KRWDZBQOSA-N 449.423 0.461 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)nn1 546563390 FQKBXACJRVVSTN-HNNXBMFYSA-N 446.489 0.652 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 548289682 WBAPIFRGZUFZQX-HNNXBMFYSA-N 443.481 0.963 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 550591656 HRSPMVINALCNPP-IRXDYDNUSA-N 429.521 0.421 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1C 551431466 WOKOOBJMHRIURH-INIZCTEOSA-N 443.485 0.788 30 20 ICED N#Cc1ncn(CCNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 554296755 NFJIUXUWVXWAFJ-UHFFFAOYSA-N 432.293 0.734 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 578818945 YMWRQTYMPQUUCG-BURNTYAHSA-N 440.544 0.799 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 580737197 WFHGBRKNAIGMDK-APWZRJJASA-N 439.516 0.885 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2)nc1 587640676 MTWSRMPONWRDSQ-IBGZPJMESA-N 426.521 0.361 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n1C 609450205 JFBBFSMWTOOTCI-UHFFFAOYSA-N 443.859 0.967 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 610798073 PYEVUJIMFZGYJU-MRXNPFEDSA-N 433.534 0.975 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 614628636 SNWNZBXTEIGQBK-UHFFFAOYSA-N 429.458 0.692 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 615255874 AZSJSKYAVHOSNZ-UHFFFAOYSA-N 425.511 0.330 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 615338974 YFURRLYBURMJFM-GOSISDBHSA-N 439.472 0.836 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 729257150 UKWAPHSWKXUTNF-HNNXBMFYSA-N 440.953 0.291 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731232931 OMYJODXMWOWSRL-UHFFFAOYSA-N 449.536 0.606 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 731861612 HREXMCZYBPGCEA-KBZZJAQTSA-N 429.408 0.235 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742537955 RUPUPWOGFIBTOT-OLZOCXBDSA-N 428.536 0.044 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 745386095 BZDZVNGQPCXMBY-SFHVURJKSA-N 448.435 0.648 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 751554018 IULQJOZECQFFLC-UHFFFAOYSA-N 443.525 0.664 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1C#N 752395381 ZWLRAHMSXZRIPS-UHFFFAOYSA-N 425.467 0.509 30 20 ICED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 752773525 MBRWTFXGKUJTMQ-UHFFFAOYSA-N 425.488 0.769 30 20 ICED O=C1O[C@@H](C(=O)NCC#CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)Cc2ccccc21 753661468 BDTHKIKTJCXXNY-WOJBJXKFSA-N 432.432 0.786 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 754388394 YYUYIYNQTJLAOF-ZDUSSCGKSA-N 441.510 0.524 30 20 ICED COCCN(C)S(=O)(=O)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 757334093 VRPQOVWWSYEFFJ-UHFFFAOYSA-N 436.450 0.925 30 20 ICED CNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 761629922 OEMCIHUCZHQXQV-XLNRJJMWSA-N 436.538 0.395 30 20 ICED CC#CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 762512628 SSQDYVWSSNXQNC-XOMICKMZSA-N 434.543 0.826 30 20 ICED CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 763151720 DPTVKQNMOQTUSO-IVIYVJDGSA-N 447.521 0.996 30 20 ICED COc1cc(CN(CC(=O)O)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 766937909 IQLUQVJQNSTOGK-UHFFFAOYSA-N 447.469 0.856 30 20 ICED COc1cc(C=NNc2nc(O)c3cnn(C)c3n2)ccc1OCC(=O)N1CCOCC1 769818187 GORAAMCFECDEJM-UHFFFAOYSA-N 441.448 0.761 30 20 ICED CCOc1c(Cl)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771899083 YYGIBAHIDUDIFG-UHFFFAOYSA-N 430.870 0.457 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 772309973 CCHUXYYWANKESN-HNNXBMFYSA-N 425.514 0.369 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777942270 WOVCTSLOUWPSOX-UHFFFAOYSA-N 448.476 0.879 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781948498 BDGPQAVWGYGGIX-WBVHZDCISA-N 449.920 0.959 30 20 ICED CCc1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 784205813 VUMCNTWVQXEKKN-UHFFFAOYSA-N 435.502 0.989 30 20 ICED C[C@H](CC(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 786489555 KNSIQJQBBMVWAG-KGLIPLIRSA-N 443.547 0.719 30 20 ICED C#C[C@@H](NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C(C)C 798544499 AHHQVTWIYFDQFR-MRXNPFEDSA-N 431.536 0.748 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807462570 GZWCHFFVSBZUQP-CQSZACIVSA-N 426.470 0.163 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCCO1 809259765 YOCAOMBKHZZCCG-DLBZAZTESA-N 426.498 0.986 30 20 ICED CCCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 844044443 XTEZEFHBJSQKIS-CQSZACIVSA-N 427.548 0.931 30 20 ICED CN(C)S(=O)(=O)c1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccccn3)c2=O)c1 916193432 NHXMKILJQWWKDC-UHFFFAOYSA-N 437.506 0.571 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCCCO3)c1=O 917768966 OOKIBPYKBBPVCY-UHFFFAOYSA-N 443.525 0.745 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)CC2)nc1 918390231 AQPZDUGBHCJRTQ-QHCPKHFHSA-N 430.468 0.995 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 919024771 XRRMVIIUMCDBPH-CQSZACIVSA-N 426.495 0.211 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 921134302 VUJGSFYDMBNDIY-UHFFFAOYSA-N 440.528 0.743 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)c1 927569602 IJHVEODRFLEFCZ-LJQANCHMSA-N 449.529 0.470 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(NC(=O)C(F)(F)F)nc1 1141939585 MRUPGKCPGUBJNZ-UHFFFAOYSA-N 441.391 0.937 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 1303941688 FIQGTQDYVFOVSQ-HNNXBMFYSA-N 436.538 0.169 30 20 ICED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1319657069 RXZGUDBQXJBXBN-UHFFFAOYSA-N 433.574 0.980 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNS(C)(=O)=O 1328176703 GTHLWGGTMMZXOG-CQSZACIVSA-N 430.552 0.292 30 20 ICED COc1nc(Cl)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1C 1343877874 KNBKSEVODPGAAH-UHFFFAOYSA-N 427.918 0.859 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505318196 ZRELYWMTBMWPRG-INIZCTEOSA-N 449.558 0.876 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCOCC1 1510216635 CIRSAHFGQDTXMF-YOEHRIQHSA-N 437.570 0.491 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CCO1 1521138005 WZEMBDMYNDDPDF-INIZCTEOSA-N 445.549 0.721 30 20 ICED CNC(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1554411480 KXFIKJJUJXAUOI-SFHVURJKSA-N 437.504 0.845 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1611707264 NVUURSDMNQSEAW-URKNILKWSA-N 437.570 0.226 30 20 ICED CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1613901553 KHHJLQQKEUKHOB-AWEZNQCLSA-N 428.497 0.482 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CCO1 1620355900 OPXIPRPVYVTMLS-CJNGLKHVSA-N 427.440 0.527 30 20 ICED Cc1nsc(N2CCN(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)CC2)c1C#N 1681985426 QGZHPJFQFGQBFD-UHFFFAOYSA-N 447.609 0.951 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C1 1698311439 VDKWMPYKRRTHLW-SJORKVTESA-N 431.522 0.274 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1711237224 QDLGDFCOGQZNRS-KRWDZBQOSA-N 435.506 0.625 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1741804263 YZFJGDWZUJYAHU-CPUCHLNUSA-N 444.583 0.217 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccnc2)C1 1771360966 IJMBKYKWKCYXQV-LPHOPBHVSA-N 449.512 0.691 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1780176323 RTDVJOZXRJPCNY-HXUWFJFHSA-N 433.486 0.828 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c(Cl)c1 1781967728 VLKADULCTGTLDN-HXUWFJFHSA-N 430.896 0.495 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1783132186 YKVRBKUFJXSGIZ-LYHRCORUSA-N 440.500 0.730 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783501620 ISPALVRETQMJIY-ORENWSFKSA-N 447.488 0.017 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1783769174 YFPHUIKGEOCRHZ-JLTOFOAXSA-N 435.481 0.983 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1784032402 LMORRLOQJSFGLF-ULQDDVLXSA-N 427.505 0.937 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1785378534 HWWIGDFOKSGNSO-JTHBVZDNSA-N 435.484 0.862 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860724 UGVWOALDLMYCIU-ULQDDVLXSA-N 436.553 0.837 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21)C(F)(F)F 1790882650 DUWUKZNDYXCKAD-QZWWFDLISA-N 432.487 0.721 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1791123668 VRFOCERYRBTDJX-JUPXILGHSA-N 435.521 0.360 30 20 ICED 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)C3)C[C@@H]21 1792258128 SMYGZQLYNYMZPZ-UESMBRTFSA-N 449.548 0.654 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1793342759 OWOJAUOQZSOWCJ-JNNRSPCRSA-N 426.473 0.208 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1793346524 FBNUAXGASYBMDL-JNNRSPCRSA-N 431.445 0.845 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1793357629 SOWOWSRSAGYTLK-NTNQKNOYSA-N 428.489 0.850 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796294649 DHGVFZVRXQPXLH-QKPAOTATSA-N 433.513 0.781 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797714526 XGQBWTPFHQXGFP-AXVVYFOYSA-N 427.505 0.435 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797785304 MATIXDDYDNDMIN-HATOLVCRSA-N 428.533 0.952 30 20 ICED Cn1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797811006 FGIVHNAAIJJMQE-CKCMSHCYSA-N 433.509 0.471 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797838760 XDVMLTXFQNLQGA-NVTYBUQISA-N 440.456 0.768 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1799304899 HBSFWEKUWQSTJS-ZSBFGKGUSA-N 427.461 0.671 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 1799781870 ZXDCKILRUIEVEZ-DPIQGUFMSA-N 425.894 0.548 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1800542831 IIGUZIYPAIARER-XGUBFFRZSA-N 447.479 0.673 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2)C(C)(C)S 1800907680 HSLOEDNZZAKIOT-AYRXBEOTSA-N 430.571 0.136 30 20 ICED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801850363 KKQXXZVNYWTGAV-RMFSNUHRSA-N 428.489 0.685 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1803549432 XZDBUOCDBYEDFO-IDHHARJASA-N 437.456 0.928 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](CNC(=O)CC#N)[C@H]2c2cccnc2)CC1 1806285568 HWTAKICYGRYWKE-PKOBYXMFSA-N 433.534 0.673 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808295443 JDUKBVLYCSSBJP-DDUZABMNSA-N 425.445 0.641 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1808838225 YECAZEXYTHKRFT-GRZALLJUSA-N 444.492 0.486 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811532353 FCIQQXVZLWEUKQ-QILLFSRXSA-N 435.444 0.199 30 20 ICED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819897819 CNLNDJXPFQSUOR-GSWKJKTBSA-N 449.537 0.424 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1821595478 LZIJKLVPIDEDGD-BXKDBHETSA-N 427.446 0.167 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)cc1 1829631506 LCZYDQLSZIVRID-ZRCGQRJVSA-N 427.501 0.718 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1831216609 VHKZHQOIAJGCOY-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1831393355 XIQYHSVZPRHVBN-JPYJTQIMSA-N 440.500 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1831399216 RTXJFCNAIUWYLJ-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831408829 CXQCZSKIIKSHAU-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831426609 HVSMGXRFIHINGN-OPAMFIHVSA-N 446.504 0.701 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831488030 VHBHBDZUFDRBFQ-OXJNMPFZSA-N 426.583 0.679 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015233 NUJAWIAMCUAIMG-HSZRJFAPSA-N 445.516 0.526 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1834079667 FEBOAMFERBISDL-QHCPKHFHSA-N 435.484 0.969 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)cn1 1834167153 PEFKLZPBVFWZPD-QHCPKHFHSA-N 437.500 0.995 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CCN4CCOCC4)CC3)CC2)CCC1 1834638173 WLTCVBWOYNDDER-UHFFFAOYSA-N 431.581 0.974 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873899 IRLUPBFACJAGGE-FQEVSTJZSA-N 444.517 0.893 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1836199596 QXZAVUMVQDQYAM-HSZRJFAPSA-N 444.532 0.347 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837019954 PTUOHQVSYGUFRI-KKSFZXQISA-N 444.492 0.600 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073688 NOMOXEJUZTYZBZ-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837169924 VFBMAYUWMJOSFC-VGSWGCGISA-N 443.504 0.372 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1837312208 XBYJVLMXAVMPOZ-UWJYYQICSA-N 438.594 0.695 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837625708 HXKAKLJFGLRATC-JOCHJYFZSA-N 446.504 0.459 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838080708 ICXOAJVFWOOKON-SFHVURJKSA-N 428.411 0.922 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2)C(F)(F)F 1838429700 BRUXHLNRYCUELN-GOSISDBHSA-N 439.394 0.918 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1838534712 YWSCPSKFMCYJCK-QHCPKHFHSA-N 436.468 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)ccc1O)CCO2 1838891287 PKTPFBSNMRWAAR-KSEXMQBYSA-N 443.500 0.629 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839227831 ZMCNNHSMBCXVBL-XOBRGWDASA-N 449.464 0.046 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c(Cl)c1 1839424442 JXBACWHKUYTPEK-FQEVSTJZSA-N 444.879 0.573 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839721549 RNNDFYXMYVPSNR-QFIPXVFZSA-N 430.505 0.107 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1839762108 WPRJVJBTFVHLSU-OXQOHEQNSA-N 439.509 0.587 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)C2)C1 1839805823 RDARIXYHBHAKBW-PNLZDCPESA-N 435.521 0.864 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839885863 WNLRUPICFOMZLK-QFIPXVFZSA-N 446.479 0.222 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839887257 SIPHLLMNZXNQKC-SBUREZEXSA-N 442.516 0.910 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Cl)s3)C2)C1 1840041207 YIEHFRSJWDBKAH-GOSISDBHSA-N 426.878 0.488 30 20 ICED O=C(CC[C@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840589126 ZSBUEDOAQWBEMF-ZWTIIMOHSA-N 433.505 0.972 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840716659 PKICBAURAKQLJW-OPAMFIHVSA-N 425.441 0.472 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840842619 QKQYTSDHAVCEIC-VXKWHMMOSA-N 427.457 0.591 30 20 ICED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 16776239 JMKANJGALIGZRT-UHFFFAOYSA-N 448.526 0.661 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 409522578 PXNQWWKSFABASV-UHFFFAOYSA-N 431.496 0.381 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 410122409 CFGHKICAFMHCKK-UHFFFAOYSA-N 425.467 0.459 30 20 ICED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433007013 TTWCMOFZUGZLFR-UHFFFAOYSA-N 443.323 0.680 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 438329327 QLDLJMGKGDRAQG-UHFFFAOYSA-N 430.490 1.538 30 20 ICED CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 439644135 QZSLCOZCBPZLQL-SFHVURJKSA-N 449.533 0.212 30 20 ICED Cc1nc(=NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n(-c2ccc(C#N)cc2)[nH]1 443420891 WIPXZHZHHYXUEU-UHFFFAOYSA-N 446.514 0.920 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 472043790 QXBFPJMCFQRBNI-QAPCUYQASA-N 441.488 0.859 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 473570485 MEPKRMLXRGNBQS-QGZVFWFLSA-N 436.925 0.761 30 20 ICED COCCC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 475674506 TWYJUVMGODBLDJ-HXUWFJFHSA-N 431.512 0.715 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477236430 QWVNECUXEMWTSU-AWEZNQCLSA-N 425.507 0.169 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OCC)n2)c1=O 477455620 XWXRGWMIZFXLSG-MRXNPFEDSA-N 442.541 0.912 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 477665807 SXTDTYCXHQZCLI-HNNXBMFYSA-N 446.533 0.512 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CCSC)c1=O 478870653 XQWJZXUTVHJTEA-CQSZACIVSA-N 432.571 0.988 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 489211066 XSTNMVYFNSHVFD-QGZVFWFLSA-N 427.548 0.791 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 500324015 ARWIMVMYCRKINT-ZDUSSCGKSA-N 426.351 0.796 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 511897816 VTZXIOCEYILOBT-UHFFFAOYSA-N 443.533 0.743 30 20 ICED COCCN(C(=O)CCC(=O)N(C)C1(C#N)CCC1)c1c(O)nc(=O)n(CC(C)C)c1N 520015244 CUZHDOHJUGUPAQ-UHFFFAOYSA-N 448.524 0.851 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc3c(c2)OCO3)c1=O 522691749 IHJQILXPBMXKTR-UHFFFAOYSA-N 449.492 0.487 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(C#N)cc2F)C1=O 532271101 KVAYRBLFPCRMGL-UHFFFAOYSA-N 445.432 0.991 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)nc1 533920816 MRANGEMYUDYOOJ-QGZVFWFLSA-N 432.502 0.820 30 20 ICED Cc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nn1CCC#N 538618366 BRBVVUJVKVWTPG-UHFFFAOYSA-N 446.537 0.774 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN(C)C(C)C)CC1 550477938 RTQKDUAUYFVFJI-UHFFFAOYSA-N 429.565 0.589 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 561218199 AHLQNFBATPGDEJ-IRXDYDNUSA-N 427.548 0.697 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c1 573716428 ZVWROPIDYVGSTN-UHFFFAOYSA-N 444.517 1.498 30 20 ICED CN1CCN(c2ncccc2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 580744566 YZXWLYACLBSBTF-UHFFFAOYSA-N 428.518 0.300 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(=O)N(C)C 609351184 TVCAKBPNJYKABX-UHFFFAOYSA-N 448.495 0.696 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 615050192 MHCQZPUDXDLLEK-UHFFFAOYSA-N 427.505 0.822 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCCNc3ncccc3C#N)cnc21 727776374 MUXPJCFVKKKVGZ-UHFFFAOYSA-N 432.238 0.814 30 20 ICED Cn1c(SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnc1-c1cccs1 732911304 ZFCKQLFVLQOWOF-LLVKDONJSA-N 439.544 0.602 30 20 ICED COC[C@@H](C)NC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830333 HLUCHBRAVIZHBB-IUODEOHRSA-N 445.432 0.167 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)ccc1F 735815549 NKLHHARVGWWGJV-UHFFFAOYSA-N 427.454 0.138 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnnn2C2CC2)C1=O 742212951 APISVHHKQBHBDP-ZDUSSCGKSA-N 428.478 0.375 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)c1 746788530 DXTKZPRITULGKN-PUAIJGIWSA-N 435.506 0.223 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 749504872 UMCAQRHXXCLFOE-UHFFFAOYSA-N 430.464 0.819 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 750966549 JDLARTHURFOSDM-NRFANRHFSA-N 430.428 0.617 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)cc1C#N 752406217 ZSYQWVFWQPUAPT-UHFFFAOYSA-N 439.494 0.853 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752438449 MRXZBGHQTSIXLM-ZDUSSCGKSA-N 440.474 0.789 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](C#N)C1 755536396 JINWKGCLSJXXNW-DGCLKSJQSA-N 437.478 0.299 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 756307407 IFAAWNZCWODXMV-UHFFFAOYSA-N 448.541 0.981 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758052733 FMFXDFRKPZBVSG-UHFFFAOYSA-N 434.456 0.068 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1 762008812 ZULVBUGXPWKPRZ-SFHVURJKSA-N 440.460 0.056 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CCO2)c1 762010244 FGCFMALSYNRVDQ-GOSISDBHSA-N 435.440 0.312 30 20 ICED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)c(O)c1 771566416 IMKCDNSSAFPNHN-QGZVFWFLSA-N 433.442 0.470 30 20 ICED O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)CCN1 781104270 QIZSCCFJELTOAG-JOGXUEJDSA-N 444.561 0.025 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 783464545 GVQXIHSFLBPBPJ-UHFFFAOYSA-N 440.481 0.901 30 20 ICED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784414587 KIZCRLDJPCYOHZ-CXJVOSNZSA-N 449.533 0.421 30 20 ICED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C 786573344 XEVIHXHKUCAUAG-LBPRGKRZSA-N 441.394 0.858 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)OC)CC1 788601184 PPMRRVIQOXKZLA-INIZCTEOSA-N 436.534 0.601 30 20 ICED CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCn3cnc(C#N)n3)cc21 796139139 AFXJXUJLNJAOPA-UHFFFAOYSA-N 439.295 0.800 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)c1 801617948 QLVDMFFWSUUQKH-PGMHBOJBSA-N 443.551 0.701 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 802564797 ISTZMOZJXAWTPI-CQSZACIVSA-N 441.456 0.538 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1 810352414 QDPYKULXLXZVMG-UHFFFAOYSA-N 442.541 0.402 30 20 ICED Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 810379035 NNXQLPHHOPEUKO-YJBOKZPZSA-N 434.460 0.926 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 810480485 CPBUJMKJQZQXHD-TXXSQMTFSA-N 434.518 0.810 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOCC 814250679 VTQDPXOSTCQPIO-UHFFFAOYSA-N 439.488 0.437 30 20 ICED CNS(=O)(=O)Nc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 816487878 AXMDJOFXIFZSQR-UHFFFAOYSA-N 437.503 0.630 30 20 ICED O=C(COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)NC1CC1 822349946 PUAGTBKBIMSAMP-UHFFFAOYSA-N 436.490 0.817 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 893772811 GNSAFUXILXCVOY-LLVKDONJSA-N 447.897 0.822 30 20 ICED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 913611322 WSTIJLQZRVNDPU-INIZCTEOSA-N 443.847 0.943 30 20 ICED O=C1CN(c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)CCN1 915055487 ALSPGRMWBGFQOL-UHFFFAOYSA-N 427.486 0.690 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916870376 IZRFDDKQPABQDG-HUUCEWRRSA-N 426.495 0.554 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1nc2n(c1=O)CCCC2 917343041 JCPGKMFWNZKBFM-UHFFFAOYSA-N 446.533 0.406 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC 917770383 MGDYIBGNJXPZOZ-UHFFFAOYSA-N 427.482 0.133 30 20 ICED CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278826 GCIRRYOWYTUNQT-XQNSMLJCSA-N 437.522 0.470 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 918798192 LBQHHYXHCRLZNN-XNJGSVPQSA-N 445.925 0.919 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC1(O)CCOCC1 1288808235 WHUFIPSQMXFELT-AWEZNQCLSA-N 426.543 0.560 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1339047387 IKBSDENKOTYZRX-IBGZPJMESA-N 448.483 0.976 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1505317037 INJUEXISQZDZRE-CQSZACIVSA-N 448.409 0.709 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cc2F)c1 1627312697 JCYIZDOXZSFYQD-UHFFFAOYSA-N 425.463 0.696 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1692560929 RBTDICPCDGOKBV-HNNXBMFYSA-N 432.506 0.602 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1696964243 XKCJVUJGAGLKSJ-VQIMIIECSA-N 439.520 0.489 30 20 ICED CC[S@@](=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1710912211 BBZXBNADTJOOPZ-JKGBWWFKSA-N 441.517 0.689 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1712711483 OANFOZARWUSJFB-QGZVFWFLSA-N 443.533 0.567 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccncc2)C1 1731016241 XCONJBMWHVIJOP-QFBILLFUSA-N 449.512 0.691 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778057184 VSFVBOUGLOKQFO-ODXCJYRJSA-N 442.501 0.333 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778242602 UTEWXNYXIWRLTE-SXFJPSEXSA-N 425.485 0.678 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380124 JNENQQFNEJHKSU-VGOFRKELSA-N 445.520 0.033 30 20 ICED CC(=O)Nc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1778845422 PCWJROGYZCFTJL-AUSIDOKSSA-N 441.484 0.789 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102988 LKLMFOFXJLVGDV-XXZIPLLVSA-N 447.448 0.147 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106354 OCVGIHUEAYIBIK-RSLVCRIZSA-N 433.509 0.878 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1779242258 QCKBQFLTTDEYRR-QHCPKHFHSA-N 434.581 0.973 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c1 1780170072 YQLFRSPEHXPAEH-OAQYLSRUSA-N 439.428 0.525 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)CC2)CC1 1781109072 LAERUTYHGAIAJZ-NMWDDECMSA-N 443.548 0.308 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903354 PJIQPKYCJJPPEK-BFUOFWGJSA-N 449.305 0.899 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1783165779 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CC(C)(C)c1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042010 VAVQVBFICVWZEP-QFIPXVFZSA-N 429.473 0.537 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)C2)C1 1840042550 AJWIIQPUGCBDCD-OAQYLSRUSA-N 447.394 0.604 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840045877 FNUMFABIKWTRSF-IERDGZPVSA-N 436.509 0.756 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840854768 MQINDSXQSDULBC-NFBKMPQASA-N 442.516 0.933 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1845130584 LMZXTHJDYYIDIQ-INIZCTEOSA-N 445.524 0.573 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 410204209 CVNUNNAGEJWBMK-XASIKMQRSA-N 431.518 0.759 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440385030 WXSLKSOSQLOICB-MRXNPFEDSA-N 426.498 0.829 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(COC)c3)c(=O)n2C)CC1 440400310 SDGGTGSMHVWWBI-UHFFFAOYSA-N 426.542 0.260 30 20 ICED C=CCNS(=O)(=O)c1ccc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)cc1 460740467 CBDWXQBFPWUFHR-UHFFFAOYSA-N 429.524 0.482 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 461433573 DCVHRENBPQVJSN-UHFFFAOYSA-N 438.487 0.431 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 463195788 GBPCGWZYXKNXAN-IBGZPJMESA-N 431.518 0.962 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 468941320 JSHVSTGZBJMWHV-HOCLYGCPSA-N 440.547 0.252 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 471153371 ZPXHOAQXAXZSNQ-OAQYLSRUSA-N 440.592 0.928 30 20 ICED Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 474401569 GGSDKXLJGYSOAN-UHFFFAOYSA-N 445.457 0.470 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)cc1 475479515 NRUPLACYCCNRSY-CYBMUJFWSA-N 431.536 0.371 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 505881960 WOKYMKFDTWAEKA-INIZCTEOSA-N 430.490 0.462 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 509564651 UPKKOFNJCXKCTH-UHFFFAOYSA-N 434.518 0.058 30 20 ICED C=CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 512566681 YQUPCQMQLZILGQ-CQSZACIVSA-N 448.588 0.513 30 20 ICED CCCCn1c(N)c(N(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(O)nc1=O 513749371 RCUKXJMBFILZQN-UHFFFAOYSA-N 444.496 0.284 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C2=O)cc1 518430255 QBFGFCAOSIYVDO-WOJBJXKFSA-N 440.500 0.429 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C1CCN(C)CC1 518714187 GHVADWISLOPJEC-UHFFFAOYSA-N 432.571 0.504 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCc1cccnc1 525778049 XNNAUOAYGOXHBG-UHFFFAOYSA-N 434.521 0.943 30 20 ICED CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 533494902 VVNVQFQGDDIBBK-OAHLLOKOSA-N 447.517 0.964 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 536417894 DPZMHJFTCDZMSO-UHFFFAOYSA-N 443.481 0.717 30 20 ICED COC[C@](C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)OC 543439800 UAPOMPRSUNKBFX-FQEVSTJZSA-N 431.449 0.623 30 20 ICED COc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1C 547800078 FCHCBWJKXSXVHH-UHFFFAOYSA-N 440.439 0.895 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1=O 550379228 YNJCFDMDXXRBCZ-RBUKOAKNSA-N 432.496 0.561 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)CC1 557732935 ITJYRDVPVNQXLJ-UHFFFAOYSA-N 433.597 0.546 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C[S@@](C)=O 564598822 HPOFJJBAJKDKPE-ILHIWHGASA-N 426.502 0.903 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 568654248 XFNITWITKZHVPB-UHFFFAOYSA-N 427.530 0.454 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 576272331 NUYGNAHWCMMGET-UHFFFAOYSA-N 432.462 0.078 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C#N)o2)c1=O 580392498 XXINYNWWKSHELA-UHFFFAOYSA-N 435.465 0.948 30 20 ICED C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860466 GWRUDBDKFVRBOJ-HNNXBMFYSA-N 429.496 0.905 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCC1 587648153 RWBVTHIKOSGRHT-UHFFFAOYSA-N 426.521 0.803 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911072 HYYXLZJYFIJLOO-UHFFFAOYSA-N 437.308 0.507 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 609690652 YJOYZPVCXRBQKM-UHFFFAOYSA-N 440.481 0.885 30 20 ICED COCCN1C[C@@H](C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1=O 729068658 FBHGVHKCAIRJLW-FUHWJXTLSA-N 438.488 0.775 30 20 ICED COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 732153588 JDRBSQSYSPFULH-YGCDDZCOSA-N 442.472 0.951 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)c1ccc(Cl)cc1 732427369 WZJGHYZGLQLSJN-FOCLMDBBSA-N 426.882 0.939 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732908577 OVAFXORYBDTNKO-GJZGRUSLSA-N 437.905 0.654 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 741085909 HIFYJUOWYPBXGA-ISLYRVAYSA-N 442.432 0.589 30 20 ICED COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 743929357 RNMIEAOLAFUFDE-OSGFXRFRSA-N 438.506 0.312 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744036585 DHLONYSFPWDWLX-GOSISDBHSA-N 443.481 0.636 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 750419815 OZYWNIVYNIWMRG-UHFFFAOYSA-N 449.510 0.839 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 751115838 IJBCBCIMNAEMBD-UHFFFAOYSA-N 431.511 0.949 30 20 ICED CNC(=O)CCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 753478947 OBRCNSDNARJGLG-JWGURIENSA-N 437.522 0.423 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 766979664 HMCNZVVGBOESHI-UHFFFAOYSA-N 427.460 0.837 30 20 ICED CC(C)N1CCC(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 767629809 KDZIUNKHWSWDCC-HNNXBMFYSA-N 436.534 0.757 30 20 ICED COC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769642243 MGAKXYLGKQNAFP-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CN(C)S(=O)(=O)CCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 774531487 RBTVIKRMCXNOOW-UHFFFAOYSA-N 443.547 0.784 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)nn2C)c1=O 782575374 QNWHGQUVYZEKOU-UHFFFAOYSA-N 434.319 0.373 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N(C)CCC#N 792390553 UMUIPYWJELZWOY-AWEZNQCLSA-N 436.490 0.395 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 792889527 QLEVNYCKOZWYTB-UHFFFAOYSA-N 438.554 0.802 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803096706 FQWBNKGQWFKIDM-UHFFFAOYSA-N 438.568 0.518 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)nc1 805328610 YKZDBMBVMJBPPV-FQEVSTJZSA-N 436.516 0.541 30 20 ICED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 806781185 LOCGLKBVIZFQLU-VAMHUSOUSA-N 435.510 0.889 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 815688888 SHMYTWFOXJUKRP-HZLWTFRUSA-N 448.545 0.915 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 915632446 FIXCMRMRABNBFV-GOSISDBHSA-N 445.545 0.614 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917765724 YZVQYZMWVFOIOU-UHFFFAOYSA-N 443.573 0.879 30 20 ICED CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918315701 FYIATXNRWNYAOY-HAVVHWLPSA-N 449.533 0.423 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1=O 919943368 SEHUKWCAWIXFDN-UHFFFAOYSA-N 440.504 0.555 30 20 ICED CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 920447359 VKOATOUEZFLGTM-KRWDZBQOSA-N 449.577 0.420 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1301407808 QITFBVVCEYJXHS-UGKGYDQZSA-N 442.520 0.647 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1305252389 SQEAYRMKJVIZPD-BTYIYWSLSA-N 426.477 0.547 30 20 ICED N#CCc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1319660645 FLXIMRRNCXHBLW-UHFFFAOYSA-N 449.510 0.875 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1320260403 VAGASRBUIRJVDA-WBVHZDCISA-N 437.518 0.870 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 1324965265 JQXQALRZBOCYAX-IAGOWNOFSA-N 428.445 0.802 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1475782624 IPLLYWVBEXDKND-UHFFFAOYSA-N 431.559 0.330 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1511315869 XRIJNRKCTNCCEZ-FXAWDEMLSA-N 431.518 0.456 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620347440 UYRHKXXLFOZJDC-CKEIUWERSA-N 445.542 0.447 30 20 ICED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 1663626827 MNWZDZIESRPSRP-QGZVFWFLSA-N 426.564 0.877 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1691003790 LYPKVGPWTVKATG-KGLIPLIRSA-N 432.572 0.104 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CCN1C1CC1 1712882282 AAVJHQYEUXGXMU-AWEZNQCLSA-N 436.467 0.072 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCSC2)CCO1 1712886470 UIROKNMGLRTCPN-FZKQIMNGSA-N 434.547 0.866 30 20 ICED CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728724550 KYHQXDYWZGRWNR-ZBFHGGJFSA-N 439.586 0.880 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1741944098 KLNJUIRPEYQYCN-GXTWGEPZSA-N 434.478 0.394 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779017206 DXAOAWIVUVLOIO-GWJNGDFSSA-N 425.493 0.873 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779063554 WJTZGXOFKWXBPO-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779064297 DQPAKRZKDOJWEA-HSZRJFAPSA-N 426.517 0.938 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779196282 LVXQZADFOLUDSP-DKSSEZFCSA-N 429.539 0.484 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779318265 IODHXXFZBUPUPV-NQIIRXRSSA-N 432.452 0.292 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1781269722 JBLBNYKVWGYKMI-QGZVFWFLSA-N 445.398 0.776 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1781689232 SZPHCBWSJHVLIY-PMECCGAFSA-N 449.548 0.751 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2)C(F)(F)F 1783208318 UFTGBHUIANNZNH-CRAIPNDOSA-N 443.426 0.405 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21 1783530784 DNIWZCAFRCSWED-GRNXDFJHSA-N 439.472 0.675 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783887306 YHBHPZUNSRYTJH-SXGZJXTBSA-N 443.566 0.771 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1 1783890051 NYCJMUDPMDUSSY-DNVCBOLYSA-N 426.560 0.917 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1784597376 ABZYLNONIPTNNR-YJYMSZOUSA-N 429.868 0.903 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)C1 1785329081 ZPSCVVIGSLVHPD-BDFQZXNOSA-N 442.516 0.939 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377341 CKLCFXNFVXWZNG-HXUWFJFHSA-N 442.501 0.974 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1785575531 CZAMVYSSAXVNDB-JJEOQYAHSA-N 448.564 0.875 30 20 ICED O=C(Cn1cc(Cl)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787003748 KHJMFAUUEONFHA-ZFJQWGSLSA-N 436.944 0.988 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)s1 1787057517 VSYJCFUHLXCYRK-BCWUPHOBSA-N 434.566 0.840 30 20 ICED COC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1789982814 NKNGYRWVUXMMQT-XIRDDKMYSA-N 429.429 0.546 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3occc3Br)C[C@@H]21 1791075581 AEEWMKJTWQOJJV-GVXVVHGQSA-N 425.235 0.723 30 20 ICED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21)c1ccc(O)cc1 1791335891 BBSHTMDYHHAKGB-DIZVHYTASA-N 428.533 0.155 30 20 ICED 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(=O)NC)C2 1793592503 KMOWSHQIWABQGT-BASYENTBSA-N 438.525 0.182 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794825816 MNKDXKJHWLPCNC-MHORFTMASA-N 443.504 0.596 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CSC(=N)N)c2c1 1795506209 KVWQKUOUQQXLLE-DRXBFXEBSA-N 427.490 0.264 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1795599085 RKTLOSRAIZDFHL-SCAQPMJSSA-N 425.493 0.214 30 20 ICED O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796894178 LXYLGMPNMNTTTP-XFORJOMPSA-N 430.486 0.723 30 20 ICED C=CCC[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 1799321834 NGUXQGWRBAXORG-FZKCQIBNSA-N 448.524 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCOCC2)[nH]n1 1814436299 PPVDMKGQPGFLNH-MJRGOJFPSA-N 444.536 0.983 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)CC2 1819714518 LKKJWQZRTUZOPK-RIEGTJTDSA-N 440.522 0.693 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)N1 1825075396 XORAITLPHYNFLT-XBWYWLENSA-N 443.504 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)CC1 1826940522 VTFMDCZWDCCQFD-MZIIKBMYSA-N 434.537 0.527 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1829261873 GUVGAJCMYJBYFM-JOCHJYFZSA-N 436.472 0.514 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831103945 OLKGUWKWHKBFHD-LIXSYLKWSA-N 441.532 0.721 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CSCSC1 1831216602 UXGRGIYXOULAOJ-OXJNMPFZSA-N 439.603 0.899 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831341267 PBRZZPMZBLDRJT-NRFANRHFSA-N 449.529 0.371 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1831388520 UOBYWHOOSDAUFQ-FDDCHVKYSA-N 442.512 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1831392766 OFQBWODQPVRTSL-MCFFVMPBSA-N 430.505 0.568 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1831393202 UXLUCHGNBLVTHN-AOMKIAJQSA-N 430.457 0.524 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831463335 CYDMLCZATYGPML-PXNSSMCTSA-N 428.551 0.317 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831485216 RTBQSJSSCGFOJA-WMZOPIPTSA-N 441.510 0.202 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831579024 QGJYMTJSMQSQGR-FXCLAUTBSA-N 442.472 0.492 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831829755 SRFJAACKYXJWOF-JOCHJYFZSA-N 429.521 0.742 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832531490 SJIGDEVYURELST-KKSFZXQISA-N 437.562 0.906 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c(O)n1 1833696283 YYHYFUNXXNDMGT-WMZHIEFXSA-N 447.532 0.993 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)nn1C 1834115034 ICWPVOBYWYZNJE-QHCPKHFHSA-N 437.500 0.913 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1834755793 CTFMDISQBXERRG-GOSISDBHSA-N 437.294 0.757 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2NC1=O 1834763765 WZUBQKLPQOUVOV-SPLOXXLWSA-N 428.445 0.390 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccc(F)cc1 1835359153 YGTJDGGDXPFPRS-IFMALSPDSA-N 446.479 0.763 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(-n4c(O)nnc4O)cc3)CC2)CC1 1836130797 ZYWUVONBLFOFTB-UHFFFAOYSA-N 438.488 0.497 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837415097 SYNOUWOGAHUILN-AUSIDOKSSA-N 432.517 0.834 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525696 YUFWCYHRXYSNHB-VJIOCRDPSA-N 446.504 0.989 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837632941 DDAYWSJVTDTJHP-BDNZGDGKSA-N 444.488 0.458 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837875200 ZGLMKRXCAQYQDB-JOCHJYFZSA-N 428.489 0.245 30 20 ICED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186353 OGKMOXPGHAZDGU-JOCHJYFZSA-N 432.496 0.648 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)[S@@](=O)c1ccccc1 1839672418 JUNXCGFJYYRMGE-UGAZBFNKSA-N 433.530 0.943 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839869868 GNEALBLBPPKVKP-XMSQKQJNSA-N 449.624 0.630 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839882745 WEYXAQSYEXWJQY-JOCHJYFZSA-N 447.919 0.674 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1)C(F)(F)F 1839890945 CRWAQJMWQDRRAZ-OAHLLOKOSA-N 435.428 0.768 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325292 QMLSRAHLLWVSRY-HSZRJFAPSA-N 444.532 0.497 30 20 ICED C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409484832 MJGJAUTYFVRLRR-PBHICJAKSA-N 428.536 0.688 30 20 ICED Cc1ncc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1C#N 427118114 SWCQBXZOQDQSSO-UHFFFAOYSA-N 442.457 0.943 30 20 ICED C=CCCCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429902060 KUDWCPPBFMLMDC-OAHLLOKOSA-N 425.507 0.795 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1=O 430131062 JUGKYURYSOOHFF-CYBMUJFWSA-N 438.278 0.693 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434812212 FHKPKILOXDZFLK-UHFFFAOYSA-N 439.538 0.564 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)CC2)c1 468448987 SPVSOHNGRJYTCY-UHFFFAOYSA-N 430.472 1.075 30 20 ICED Cc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(=O)(=O)NCC#N 472995478 AUJBETCYHPOURD-UHFFFAOYSA-N 441.517 0.673 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(COC)o3)c(=O)n2C2CC2)CC1 480955305 FVNMKICCTWPGIR-UHFFFAOYSA-N 442.541 0.651 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2cccs2)c1=O 502043276 ATNJKSJQDZDATP-UHFFFAOYSA-N 425.539 0.879 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CSc4nc(N)c(C#N)cc4C#N)CC3)ncnc21 504523565 FFARUSHTVJYHCG-UHFFFAOYSA-N 434.489 0.525 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(=O)(=O)c1cccnc1 505631721 IDLOXTPSBSTKGM-SFHVURJKSA-N 427.486 0.886 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 505701303 WJQCUGSEODSUBO-HZPDHXFCSA-N 442.541 0.630 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2C1=O 506002647 OZOITVYGUIMZDE-OLZOCXBDSA-N 433.486 0.138 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 508116207 BKFBHWPYZLAOAM-QUCCMNQESA-N 439.516 0.351 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 514711069 XAGZGWALUVYKOA-UHFFFAOYSA-N 427.482 0.909 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 522301395 QYFPRUXHEKKOBE-MRXNPFEDSA-N 427.505 0.753 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1OC 531199192 KMKROKUMVBKDSS-UHFFFAOYSA-N 443.525 0.839 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)CC1 536977232 JSVOIKIBHQMGOO-UHFFFAOYSA-N 429.525 0.461 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 550371198 OUARUTFAPYZSGZ-UHFFFAOYSA-N 429.456 0.248 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN(C)Cc3ccc(F)cc3)CC2)c1C#N 564017374 LFRRHWIJATVTIU-UHFFFAOYSA-N 441.511 0.636 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 567530694 FEMFLTBZDKWNOV-UHFFFAOYSA-N 439.581 0.516 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 567795537 BZEHARFLHAAULD-ZIAGYGMSSA-N 446.541 0.227 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573767024 HUYYNMACAZCGAE-CABCVRRESA-N 439.476 0.467 30 20 ICED COc1cccc([C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C)C)c1 576891423 RROGZNRCZGKTTP-SFHVURJKSA-N 427.509 0.682 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 579875700 AKZJROLCSKKDQN-UHFFFAOYSA-N 440.469 0.839 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588774342 TWOUXMCCXUEZET-NVXWUHKLSA-N 447.492 0.009 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)NCC(=O)OC 588817051 UZVUOTRWQQJACR-UHFFFAOYSA-N 428.239 0.504 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 604168580 DTYKXVWYXHQBPH-UHFFFAOYSA-N 448.483 0.713 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 608911901 VNNBZPCBAHROHD-UHFFFAOYSA-N 437.308 0.484 30 20 ICED Cc1nn(C)c(N2CCN([C@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)c1C#N 615977958 RJBASROVBRCXNJ-SFHVURJKSA-N 436.472 0.748 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(=O)N(C)C 677124036 WUTKRHITMGLCSS-UHFFFAOYSA-N 429.546 0.723 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 728466522 MRMFBPPDUQMAGI-JKRPTORDSA-N 449.533 0.565 30 20 ICED N#C[C@@H](C(=O)CN1CCN(c2ncccc2C(N)=O)CC1)c1nc(O)c2ccccc2n1 728917357 AKSHCPAODFDGON-INIZCTEOSA-N 431.456 0.828 30 20 ICED CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 733670463 OTWAJQVTEUGIEE-VGLIXDPASA-N 435.550 0.848 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 735295014 MSTJEGJYRFSFDO-UHFFFAOYSA-N 437.481 0.390 30 20 ICED COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 735864891 HMIKWGYOMDWETB-CQSZACIVSA-N 442.519 0.233 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 741429429 DHFZRISUQWGZRA-UHFFFAOYSA-N 445.501 0.340 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(Cc3ccccc3)nnc2C1 741612672 LPTPWCWTOKVAFZ-UHFFFAOYSA-N 436.497 0.950 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)cnc2n(C)c1=O 751643238 NKVYWDMDPUVDNG-CYBMUJFWSA-N 425.426 0.528 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 753421117 YEKYPFWCJXWGDR-UHFFFAOYSA-N 444.425 0.877 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 753889920 KNZHISDKNMRLAA-INIZCTEOSA-N 448.545 0.774 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 755547606 AOJXCNIXPJECRV-RISCZKNCSA-N 429.433 0.831 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 756451650 IORUKGQRRBRJOO-HNNXBMFYSA-N 433.490 0.885 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC2(C)OCCO2)c1 759435716 YWFHVTUFBRGKRN-JWGURIENSA-N 438.506 0.707 30 20 ICED C[C@@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 776417476 PZNFIVBLESVJQK-HZPDHXFCSA-N 435.502 0.749 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783480551 KFADWCHQXXWHMT-QFBILLFUSA-N 433.530 0.667 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)cc1C#N 785330921 FKDGXUUBQCUICB-UHFFFAOYSA-N 441.404 0.527 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)n1 789794333 ZYRCEYMHEDDDPC-UHFFFAOYSA-N 447.517 0.428 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCc3ccccn3)c2=O)cn1 794611627 CSYIKEDTJSULHC-QGZVFWFLSA-N 449.536 0.780 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 796184142 LEHVCARQPIMYMH-UHFFFAOYSA-N 445.475 0.597 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 803862056 ROJUXNKGPBCXOU-MRXNPFEDSA-N 430.442 0.466 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807462568 GYGKFFBITJIKDT-CQSZACIVSA-N 426.470 0.163 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C4OCCO4)C3)C2=O)cc1 808178327 HYAMLCWWBLHTBZ-SJLPKXTDSA-N 426.473 0.781 30 20 ICED CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 808291029 CIMWSJPYYQNVER-WUKNDPDISA-N 427.504 0.675 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)nc1 809301389 JBXNYUTUVYJSGG-UHFFFAOYSA-N 437.460 0.058 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 810472593 PTEQVZNUUNGAFS-QGZVFWFLSA-N 429.864 0.825 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 813563103 GRZXIKQDFLFUMY-QRRZJSHUSA-N 441.517 0.877 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 916200218 YZRVASCRFHBNBX-UHFFFAOYSA-N 435.452 0.196 30 20 ICED N#Cc1ccc(CSCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 917261792 BUHNPJCVHXZVHX-AWEZNQCLSA-N 425.488 0.348 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(S(C)(=O)=O)cc3)nc2)CC1 918152852 QSYRYXTZIULLIE-UHFFFAOYSA-N 437.547 0.867 30 20 ICED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2O1 918265724 VVQWTLYMKDTHRV-SFHVURJKSA-N 436.472 0.802 30 20 ICED COc1ccc(Cc2nnc(S)n2N=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1 920368621 CALRHZJTHUCODM-UHFFFAOYSA-N 426.462 0.734 30 20 ICED COC(=O)CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 921135010 NOHIKONTZWYSMV-CJLVFECKSA-N 438.506 0.897 30 20 ICED CN1CCN(CCCN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1116064648 YWNVSNOBZKLTNG-IBGZPJMESA-N 426.521 0.859 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1292134384 SPJHNMVFPDXFAX-HKUYNNGSSA-N 446.600 0.951 30 20 ICED CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298077334 RULMXRZGCPMSGZ-FUHWJXTLSA-N 449.625 0.945 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300845612 YPKKVOGHILWKIY-CHWSQXEVSA-N 427.303 0.479 30 20 ICED C[S@@](=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318735051 VDSJYLXHWVPZFC-BJLXPSRBSA-N 431.518 0.286 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1503255633 YVJWCYTYOYJUPE-MRXNPFEDSA-N 437.547 0.875 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1509745183 RYTQTURNHUCGIE-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1515862210 NDFUKHHABPUIPD-BZUAXINKSA-N 425.559 0.491 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)n1 1543066871 KTWIIFJOOZHEDU-DLBZAZTESA-N 433.538 0.836 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1555199204 UMSGPIOOPSSHOJ-UHFFFAOYSA-N 440.504 0.653 30 20 ICED COc1cc(C)c(CN2CCN(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)CC2)cc1OC 1652909210 OTFUNKIZLIKPQG-UHFFFAOYSA-N 427.461 0.078 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1749831050 UQLAXQLFIYRUTD-HOTGVXAUSA-N 442.542 0.014 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476073 OVJUNUCWWTWAJM-DUYDGHCJSA-N 425.493 0.645 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594222 IHQOSDKBPGZGKV-IANVCVOOSA-N 442.476 0.702 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779376016 RDHVSSQQADZAHH-SIXWZSSISA-N 430.640 0.939 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)NC=O)C2)c(C#N)c1 1780725012 HZNGGOJJFOARMS-LERMDLETSA-N 442.516 0.758 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)cc1C#N 1781253042 PYGBSZYIICZBLD-ZHRRBRCNSA-N 428.489 0.923 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301211 RPYXLDTUDXDAKI-OPAMFIHVSA-N 440.479 0.998 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)c1 1781966099 HTBUPTWFEUWEAZ-NRFANRHFSA-N 439.403 0.943 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCC1 1782786895 MLTNSVINXHVBFU-FQEVSTJZSA-N 429.433 0.280 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1783133916 MFKVQYLKHORAPP-XMSQKQJNSA-N 425.441 0.539 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(Cl)c(F)c3)[C@H]2C1 1784424032 LSZMVPLUELAYPI-JDFRZJQESA-N 438.839 0.926 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)C(C)(C)O 1786369870 YUHYFUTYBZDWRI-QBYUYEEZSA-N 438.525 0.544 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1786706399 UVHLYWURLSUYMB-JSSYZSAGSA-N 440.544 0.905 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787379000 ZWZFUKIDQUDMTD-IEZWGBDMSA-N 441.488 0.832 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787396803 GVKGPIXSDYDNTD-SRQBIAJPSA-N 426.608 0.947 30 20 ICED O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788495250 RYKHYGGVQKZMBA-OTWYLLFQSA-N 443.544 0.500 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCc3[nH]cnc3C)[C@H]2C1 1788534302 VVOCZFFVNBCEKP-DWRORGKVSA-N 434.562 0.969 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676859 PWGMJEOARFSMNZ-PNRSEYPISA-N 432.521 0.841 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc(OC)c3OC)[C@H]2C1 1789409396 QCKJHKHMFMMZDF-CVYDXHPNSA-N 431.489 0.730 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1789957418 SCXRJOWQCXWJAE-JSRQGNBESA-N 429.539 0.344 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)cc1 1790146127 AONNYPCYKAUJNH-FHWLQOOXSA-N 436.468 0.271 30 20 ICED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CC1 1790886384 CJEAMNCPKKYZMF-RNIHYMQRSA-N 437.493 0.448 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOCCOCCOC)[C@H]2C1 1791144537 IPJYJDPWDMYNCA-UFYCRDLUSA-N 440.537 0.076 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792423078 UIRRDOBOZHLALJ-RMFSNUHRSA-N 433.530 0.515 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1792531463 XVOQSLRNWQKNKW-DFGXFYAUSA-N 433.505 0.378 30 20 ICED 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)CC 1792860952 YWRRBHQBVPVXQR-ZHCJQAHYSA-N 425.526 0.816 30 20 ICED C#CCO[C@@H](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 1793350082 YNINJHRDPSJDCZ-QTMHVTGLSA-N 447.532 0.531 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cc1O 1794326423 ZYLGVSMURUULOV-IVWMJMPLSA-N 435.444 0.391 30 20 ICED 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)NC(=O)c1ccccc1)C2 1797712419 HGQXCJPYHFBCPN-XIKSMUEASA-N 443.544 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cc2nn[nH]c12 1798616684 RNTIQQUTPLXLOM-KOFHJDLBSA-N 431.880 0.853 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cncnc2)C3)c(C#N)c1 1799238344 GGQJIOMDHLFEIM-BBIADKPPSA-N 435.484 0.732 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1807205444 LBRUKLVTIYRNJT-VUHPKUFZSA-N 432.521 0.723 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CC1 1807354819 WLVLZBBUMUNTGD-WMLDXEAASA-N 432.444 0.436 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]1c1cccnc1 1808426261 WWSJMRMHUHRZAV-PTMOBGKPSA-N 441.532 0.813 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)c1 1812343601 DTYIXCDWYRQSGV-LAUBAEHRSA-N 431.456 0.858 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1814103844 YGODDENDGNNYET-FOIQADDNSA-N 441.513 0.966 30 20 ICED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668557 JSHKHKKKXHYNPG-SECBINFHSA-N 446.518 0.414 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232111 MOWSVSPSAZNVBX-GXTWGEPZSA-N 427.398 0.165 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047870 VDEURZMUNOEOTE-CRAIPNDOSA-N 440.504 0.689 30 20 ICED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CCC1 1827402464 UDOBPAGUVPIIOA-INIZCTEOSA-N 438.492 0.740 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1828886069 KVAQFTLQWNUTBY-SVFBPWRDSA-N 437.581 0.830 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829629952 KJRQOQJJDWKTBI-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1829749016 MJGROTVBSSPDCE-IBGZPJMESA-N 439.538 0.633 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1829900462 DTOKDSZRKRPRSL-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1830611713 RHCBQCLGGIURQN-CVDCTZTESA-N 443.475 0.520 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830655806 YOHUCLMBKWWJMQ-MBSDFSHPSA-N 440.500 0.372 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1831411027 KBVVYOAYQMXJOG-GCJKJVERSA-N 439.553 0.730 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831433670 XVFNXYURZHIVAM-AOMKIAJQSA-N 449.504 0.760 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831488547 XETYYTDRYZDZSC-PXNSSMCTSA-N 439.534 0.420 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1noc(C)c1C)CCO2 1831970989 ZSCWSYGNZRIRPB-RMUOZIPVSA-N 432.477 0.220 30 20 ICED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)c(=O)nc1O 1833430577 OFSZBFTVAXWUKN-UHFFFAOYSA-N 441.532 0.242 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(O)n1 1833699525 CDRRUTRPQRVHMP-JOCHJYFZSA-N 443.456 0.064 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)nc3F)C2)C1 1834755996 HLCWBEAABNBCGQ-KRWDZBQOSA-N 441.257 0.967 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095931 KIQRCBDBQFNNLX-DEOSSOPVSA-N 441.528 0.801 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(C(F)(F)F)cn4)C3)C2)CC1 1835342151 LRKKHZRODXGXDP-GOSISDBHSA-N 439.394 0.869 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364868 JCIMJMJPRBQYNV-JTSKRJEESA-N 428.489 0.565 30 20 ICED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835382503 XGUJJRRPJAAQFL-QHCPKHFHSA-N 428.533 0.899 30 20 ICED CCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673206 YJTOFTIMBBKWSH-NRFANRHFSA-N 433.509 0.589 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836809001 UTQOCNXCFBZSPZ-VFNWGFHPSA-N 429.477 0.619 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836879916 IICKCYXMFAXXHD-SFHVURJKSA-N 440.566 0.491 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118594 WYQNNFCSQZLPQN-JTSKRJEESA-N 426.473 0.443 30 20 ICED C[C@H](Sc1cccs1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837234926 VDUIMXBNVUKPKE-LIRRHRJNSA-N 438.527 0.773 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793078 VLNKGRULHQFGKO-RHSMWYFYSA-N 427.483 0.342 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580575 KUCONJFZVXHXGP-JOCHJYFZSA-N 445.472 0.590 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5nccn45)C3)C2)c1 1838740873 YPTBDDPWFREQDA-QFIPXVFZSA-N 434.456 0.918 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906163 UXJIONUDBZOMFP-OAQYLSRUSA-N 425.445 0.821 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949832 WXWUYTYGIIPZBF-HSZRJFAPSA-N 442.516 0.935 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060078 FPDHQOXMDUZNCL-XMMPIXPASA-N 441.528 0.779 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1839176305 HCFNBPZCJBWEDK-KYNGSXCRSA-N 432.876 0.877 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1839362321 LJVDEUWQCSRMHM-HXUWFJFHSA-N 431.518 0.449 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839391036 XEPDFSBJEIRAFG-QDVHYIHRSA-N 437.518 0.531 30 20 ICED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419412 ZKZOUIMADSFQLU-OAQYLSRUSA-N 447.467 0.039 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1839424798 CWSXVIATJDJAQF-BTYIYWSLSA-N 446.891 0.418 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840195099 OPPLKFWGCAIQIE-SIKLNZKXSA-N 447.557 0.671 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1840399427 NHSKJNGTZDOKOE-OAQYLSRUSA-N 449.577 0.732 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812209 FYPNTZCEICBVRK-IBGZPJMESA-N 425.507 0.043 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1844235242 RSNZQHYIGKUUBF-HUUCEWRRSA-N 425.526 0.649 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845438851 WLVSPPNBXJUZKX-XIRVLSMDSA-N 440.497 0.562 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846160031 IEVNWDNEJNRUEQ-YCRPNKLZSA-N 431.489 0.925 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 409500048 JBPUBCHEHHRFRQ-HNNXBMFYSA-N 430.531 0.392 30 20 ICED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 427656568 LJPYPAUIWZZOKD-HNNXBMFYSA-N 440.479 1.533 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 470421688 GMDJVVZMZYYPPJ-USXIJHARSA-N 425.507 0.097 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 471162762 WHYBBPYFZRVRBW-UHFFFAOYSA-N 444.513 0.671 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473392991 GUGQQSMANZLSHG-SFHVURJKSA-N 425.489 0.245 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 480998238 LHBXADCPBVJXFF-KRWDZBQOSA-N 437.566 0.884 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 482808853 LCRZCBKWNMPFDH-DUVNUKRYSA-N 428.536 0.059 30 20 ICED CC(C)[C@@H](CN(C)C(=O)CN=c1ccc(C#N)c[nH]1)NC(=O)CN=c1ccc(C#N)c[nH]1 490359736 CBYMYJNCVMHERD-GOSISDBHSA-N 434.504 0.187 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscn2)c1=O 497576416 IMZGUUDULWMGNS-UHFFFAOYSA-N 434.543 0.155 30 20 ICED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508507412 HSJXEVJEGIMSLO-UHFFFAOYSA-N 431.541 0.654 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508794574 QUZHJIDFSLNXSX-KRWDZBQOSA-N 436.582 0.501 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 509724322 LOORHYWJAKRUPJ-KRWDZBQOSA-N 449.533 0.004 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C(=O)OC 511317349 YTIKVJIAHZRNJQ-RDJZCZTQSA-N 437.474 0.132 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C(F)(F)F)c1 515741553 OFGAJNUBOJYINS-UHFFFAOYSA-N 446.451 0.742 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 535551386 UIEONFUMWNGFOX-PWIZWCRZSA-N 442.541 0.977 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 542843459 JKZXHFZKJSMHIZ-UHFFFAOYSA-N 427.484 0.965 30 20 ICED N#Cc1cncc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 584502082 JBOWRJXUKSEYHF-UHFFFAOYSA-N 428.430 0.634 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 588851210 CWRJSJFQLCKPST-YCRPNKLZSA-N 429.477 0.527 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C(=O)N1c1cnn(C)c1 589403692 TYJXSVJBXCGVOT-IUODEOHRSA-N 433.432 0.121 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)o1 603795723 GNAVGYZMFGSTPG-UHFFFAOYSA-N 444.557 0.419 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168473 AJKMRSINRZIIRY-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 604537015 DYJNPLFERKAFKX-UHFFFAOYSA-N 448.593 0.353 30 20 ICED COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 732153584 JDRBSQSYSPFULH-QQMHEVNUSA-N 442.472 0.951 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 737304720 CXGZUMWWBUAKMG-UHFFFAOYSA-N 445.497 0.566 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC1=Nc2ccccc2S(=O)(=O)N1 750874436 KCBADAYTYXHYLI-UHFFFAOYSA-N 434.455 0.290 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cn1 751922817 GEERTLALNYOFCR-UKRRQHHQSA-N 437.570 0.427 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758117862 VHFATWQEUBGTQI-KRWDZBQOSA-N 443.573 0.971 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 758991294 WQEJOYUDPKRYAD-UHFFFAOYSA-N 431.294 0.537 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(SCC)c2)c1=O 769884191 FMAYBAXXPOXASY-UHFFFAOYSA-N 427.551 0.921 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCCN(C)c3ccccc3)c2=O)cn1 772304575 ZFROECUJTXFIAS-UHFFFAOYSA-N 448.552 0.982 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C(=O)C1 779315573 ZWHVJZRDNYRIKI-UHFFFAOYSA-N 428.511 0.596 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCN2CCNC(=O)C2)C1=O 781104363 SFTSDUVVHPCPPM-MRXNPFEDSA-N 446.533 0.144 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 781936977 JNLMFHSXGXVLPG-ZDBRSUKYSA-N 439.538 0.549 30 20 ICED O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cn(Cc3cccnc3)nn2)cc1 783701769 LPOVSCDHIACWRP-YVMONPNESA-N 427.442 0.980 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)cc1 785116774 SIEVHYVATIDVBZ-UHFFFAOYSA-N 443.547 0.467 30 20 ICED N#Cc1ncn(CCN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 795183938 NJJXTUYDECLAII-LTRAUPRXSA-N 438.517 0.756 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800777193 NPUWBXNIRLSFKK-HNNXBMFYSA-N 446.599 0.075 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)ccc2Cl)C[C@H](C)O1 804821403 NEEZDPKZWNFMCS-RYUDHWBXSA-N 428.898 0.507 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccncc1 805809263 PTMOOWQGFYRGNB-QGZVFWFLSA-N 433.490 0.477 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 809818726 PDZAIROZPDHMJV-UHFFFAOYSA-N 432.861 0.833 30 20 ICED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3snc(C)c3C#N)CC2)C1=O 811785498 AETSZGRVUXVPGJ-LJQANCHMSA-N 428.522 0.994 30 20 ICED CSC[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 813983998 LLGBEANPYLTPNU-QLFBSQMISA-N 436.515 0.665 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 914659473 UNTWOTZMBGICAF-YPMHNXCESA-N 448.494 0.139 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC[C@H]2CCCO2)CC1 914970493 ZZUWVMFEVAIXGK-QGZVFWFLSA-N 435.502 0.894 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 916676047 UNMVACQMNRLHNE-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(=O)N(C)C 918729958 LRLHJXLNQHRPTD-UHFFFAOYSA-N 438.553 0.927 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)N3CCCC3)cc2)CC1 919664872 MGOMFERJUUHDNK-SFHVURJKSA-N 432.502 0.484 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1303628035 RPHCARVNFQZQAW-HNNXBMFYSA-N 446.533 0.946 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(=O)N(C)C 1303849331 MDKVAIKVPADDJH-KSSFIOAISA-N 425.559 0.887 30 20 ICED COc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OCC(=O)NC(C)C 1322710938 KTQITAVKTBQGME-XUTLUUPISA-N 430.461 0.855 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507774558 JLDXYSXSXYFUOP-UHFFFAOYSA-N 429.319 0.796 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1539803768 NFLKQCQAASTIJE-OAHLLOKOSA-N 446.961 0.468 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1626755761 FDQZSPFHHZBFMW-UHFFFAOYSA-N 442.545 0.872 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1643093895 LPWKMAAVPGAAQB-INIZCTEOSA-N 441.579 0.912 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 1663337061 PFKZUFQPRGXGSS-LBPRGKRZSA-N 437.341 0.657 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1665230907 MRASXUGNWVBEPA-OAHLLOKOSA-N 429.568 0.443 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712454959 ODAFNEQIOVLFHG-MRXNPFEDSA-N 433.538 0.988 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740745626 ZQHZOJDNJVDXLL-XHDPSFHLSA-N 432.344 0.791 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1747665631 UIEXWYDRBLUJBW-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1750209069 OMJLOFHLBNWFDS-KRWDZBQOSA-N 449.581 0.926 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1750967053 QVMIMUCRCFIMMP-KRWDZBQOSA-N 449.581 0.418 30 20 ICED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1766148941 QQZLWNLUPDQEJE-MJJDPTRDSA-N 426.543 0.558 30 20 ICED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2c1CCC2 1777964052 PTTYGXWVLHAQSA-ZZAWEDPDSA-N 428.537 0.824 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1cc(O)nc(O)n1 1778017127 BVUNRCKCAJRARQ-VNKMCGJASA-N 443.460 0.727 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778234833 KCUFDZSXWDZFLH-QVKFZJNVSA-N 435.477 0.161 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)cc1 1779306498 WMRSQXZACHJRSP-AUSIDOKSSA-N 437.500 0.881 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473659 KPRJALYNBLLGIP-GEQKSPFYSA-N 441.532 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1780303895 ZKZWAQSYIDJVHQ-FBQMEGEOSA-N 437.447 0.889 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781343014 RHMJGIIUUWJKOQ-JTSKRJEESA-N 437.537 0.896 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1F 1783565673 OSPOMLZOVLFMBQ-YADHBBJMSA-N 445.447 0.095 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785576075 GOCRUOFUSDVLIL-HTAPYJJXSA-N 434.537 0.295 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)n1 1786694826 UELQKEREVPSDLC-YDHLFZDLSA-N 429.433 0.895 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859400 HLYJQGYUSQETJS-BZSNNMDCSA-N 434.537 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3COC)[C@H]2C1 1787719356 YZXBFBZZQDHNSF-BVZCXFIXSA-N 432.477 0.273 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)/C=N/N5CCCCC5)[C@H]4C3)(C1)C2 1788603729 PUVMRFPAZCHVNV-NXORZIOCSA-N 446.548 0.781 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C[C@@H]21 1790793906 ZQGDZLLUVMEVQB-IHPCNDPISA-N 427.501 0.705 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)cc1 1792557267 HZKLBCCQXUJFPW-KGSLCBSSSA-N 433.512 0.655 30 20 ICED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)CC2)ncn1 1793133893 DDQJUXIWNICCKF-JNNRSPCRSA-N 449.577 0.610 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793173171 CDPRENHBUZISAF-FZKCQIBNSA-N 439.509 0.112 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793352374 KRIBHUISAGTEHJ-UGNRZPKXSA-N 444.532 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793562735 MFPWDTOLHHCFJV-DGADGQDISA-N 428.489 0.669 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1793594669 DAAUHAKQDGSAKI-ZMMAXQRCSA-N 447.536 0.942 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796284798 RWKCVCDNDJNURJ-AFIMGQEJSA-N 432.477 0.857 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797449540 YFYKKVOIMPULGO-NTNQKNOYSA-N 427.457 0.259 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797756855 MWRQVACZEKYVOP-CWPLJXCYSA-N 448.976 0.765 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2 1798270148 OFVDSUPPRVYHDP-YYAJDYIMSA-N 430.461 0.640 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2nc(C)no2)C3)c1 1798576912 MUSPCJBKYGEKAA-CWPLJXCYSA-N 425.445 0.704 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2)c1ccc(O)cc1 1801052063 YJWJEQRQBZDZCI-RLQGJCASSA-N 441.528 0.990 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)cc1 1801346147 VTSXVMRTIHVBNL-BBIADKPPSA-N 435.484 0.949 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1803549264 WEOFVYCGIAQPHQ-SZVBFZGTSA-N 431.562 0.610 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661527 NSSZBTIJMUCNAC-OAHLLOKOSA-N 431.470 0.516 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NN2)[C@H]1c1cccnc1 1812307645 LLVMHMIQQUJCGM-QMHWCDLVSA-N 445.479 0.942 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3cnnn3)sc2C1 1826985998 CNMQMNOYJCLNTC-RYUDHWBXSA-N 433.494 0.812 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1828886065 KVAQFTLQWNUTBY-DYXWJJEUSA-N 437.581 0.830 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310413 XKBSNSJWPZUTRS-WZONZLPQSA-N 438.484 0.208 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1829764788 VLITUBQONRAAMH-DYRFGFBLSA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C)C2)C1 1829766405 XDDHOWWYGCKUFK-QATSOJGNSA-N 428.489 0.318 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831195837 GZUMUJQXBNVWKW-QUCCMNQESA-N 429.583 0.704 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1831402838 SZCSZNXIQRQESJ-UZUQRXQVSA-N 443.500 0.753 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831425444 ULGJRMDHMPTRKR-KKSFZXQISA-N 429.477 0.390 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831552969 FJRBMBKYAPDVOY-DOXZCSRISA-N 439.534 0.993 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1832452034 QEEJOIDBSSJGQV-RXVVDRJESA-N 434.562 0.847 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783728 OUPJNOJKAQMCNS-HRAATJIYSA-N 436.509 0.783 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1833074997 KXJJLTMIAOKNRI-ARJAWSKDSA-N 428.537 0.382 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833582740 OCGUGRNMEDWTFU-JTSKRJEESA-N 432.521 0.746 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1834735113 JZEGBRCJNUOMLZ-HXUWFJFHSA-N 440.548 0.336 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750837 SPIZDJDMJMZHQG-UHFFFAOYSA-N 442.564 0.699 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835859639 BYJHMZWDBVSDOE-NRFANRHFSA-N 441.444 0.136 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836728186 YMSJCHPQZDZVBP-SFTDATJTSA-N 439.484 0.425 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1836859653 VHQUAISZSBGEHF-CQSZACIVSA-N 432.477 0.538 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526026 BJPANVDKXNAFDM-GKQGLYOQSA-N 440.541 0.345 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529274 QSCQSMNYTHYIBG-ROZQTZPBSA-N 446.504 0.989 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531258 GFCIKNUMGQVDMM-PVFZMYLSSA-N 441.525 0.785 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 1838737349 QAGVXJJJYOGTAD-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)ccc1F 1839186974 BGUHZKPOMWPSMN-QFIPXVFZSA-N 439.447 0.800 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)ccc1F 1839188249 UECPHSHWHKZOBL-SIKLNZKXSA-N 431.464 0.875 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839227412 PZCSWHBWXXSGCV-LZJOCLMNSA-N 440.541 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450865 LENYVBUXDDBDES-FDDCHVKYSA-N 425.485 0.975 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956146 HGDYPUXAGIUSPR-SIKLNZKXSA-N 434.558 0.966 30 20 ICED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840309823 LMODYMZVYBOXAQ-MBTBGIEFSA-N 425.482 0.522 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840422551 CFJNVHNQYMYWGN-KGVIQGDOSA-N 431.489 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(OC)CCC1)CCO2 1840615624 ZCJNKMRTFUJIRQ-LXHZQTKUSA-N 435.521 0.260 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1840771413 WIHOJDXUJDBFME-JOCHJYFZSA-N 438.440 0.100 30 20 ICED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2)NC(=O)OC(C)(C)C 1846933927 WCJWYDXSHZFBQP-HNNXBMFYSA-N 433.513 0.736 30 20 ICED C=CCNC(=O)NC(=O)CN(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 27310262 OPPKRQYBCPAHFY-UHFFFAOYSA-N 428.493 0.641 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 108938239 FHLKMIPGLVZTOK-MGPUTAFESA-N 435.502 0.664 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@](C)=O)CCC2)cc1 437136364 LLHJOJPENKDOKW-MHZLTWQESA-N 427.548 0.849 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 445175686 QMMQMFWINITRNN-UHFFFAOYSA-N 442.476 0.415 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 446340958 IGXSOYAWYVULND-LAQRGFTBSA-N 442.497 0.415 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCOC2)c1=O 461342596 NTKMOPHDXHIEER-CYBMUJFWSA-N 443.500 0.876 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 465233322 KENJNRKSDDHNKE-HNNXBMFYSA-N 439.480 0.146 30 20 ICED COCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1=O 471048657 VJUYDDIVRVZKGD-UHFFFAOYSA-N 441.488 0.525 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 480485879 AIGWLCIITOHXQA-IBGZPJMESA-N 432.484 0.914 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)CC2)cc1 483541616 HTCDPLKPVMAFFM-UHFFFAOYSA-N 443.411 0.911 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 489015692 OUERPSGWEBXBNO-KBPBESRZSA-N 441.534 0.988 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489152963 CXTOOWNXBAHPGQ-UHFFFAOYSA-N 443.525 0.762 30 20 ICED CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)o1 497277406 RRTYHVKVLGAPLJ-QGZVFWFLSA-N 428.493 0.908 30 20 ICED C[C@H](O)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 498924376 LFKAQGJFHFJSEB-DLBZAZTESA-N 443.548 0.881 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498984495 FZKYAVOXHBCTRC-AYOQOUSVSA-N 438.525 0.236 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 506671996 GTLUTRXOVWVWGH-XIRDDKMYSA-N 447.517 0.597 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508885518 QIYPNUWNFNYXKV-CABCVRRESA-N 427.575 0.111 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 520647285 OAYBUIQFTYAMBH-MOPGFXCFSA-N 426.521 0.096 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 522860236 KAEUMQPONFUOLT-LJQANCHMSA-N 441.532 0.763 30 20 ICED CCN(CC)C(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533091410 GJZULEXDJLXDIH-UHFFFAOYSA-N 438.575 0.993 30 20 ICED COCCCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536885168 JAOZSYHCZYBLMB-UHFFFAOYSA-N 438.550 0.376 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 573592599 NRNJCKLONQBFBH-YSIASYRMSA-N 428.533 0.637 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)nn1 574682744 UJTKNOVXBNNIQT-UHFFFAOYSA-N 440.441 0.843 30 20 ICED CN(CCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 581138472 QQGRQVKBZAFIHZ-KRWDZBQOSA-N 431.512 0.697 30 20 ICED C[C@@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 581553109 BVRDYZIOGLMZBM-KBXCAEBGSA-N 431.456 0.910 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 584805276 ZFPZBIZNKPAOIW-UHFFFAOYSA-N 426.477 1.294 30 20 ICED CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 585777664 ZRYXQTRJDQJJLM-UHFFFAOYSA-N 435.550 0.436 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 590996080 QAERQGDKSLMZRZ-UHFFFAOYSA-N 433.555 0.926 30 20 ICED Cc1nc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)ccc1C#N 603565697 OWGOBCJXHILSPL-OAHLLOKOSA-N 434.499 0.979 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2F)c1=O 619695741 YPGWGYZWZUKUNX-UHFFFAOYSA-N 449.504 0.360 30 20 ICED C=C[C@@H](C(=O)OC)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 619716606 PXBQXJINEPXTHH-HNNXBMFYSA-N 445.925 0.959 30 20 ICED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 726180467 AEONHYMMTWHHIM-UHFFFAOYSA-N 425.495 0.546 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 731888882 KSPHGEURVOSORF-ZPHPHTNESA-N 436.465 0.866 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 732466891 STNGFLVHUPUOQF-FOCLMDBBSA-N 448.461 0.650 30 20 ICED C#CCNC(=O)CN1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 733895747 JYAWWQZDYZUGTN-UHFFFAOYSA-N 430.433 0.853 30 20 ICED N#Cc1ccc([C@H](OC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C(N)=O)cc1 734571285 ZLLZKCMQPGOYBL-SFHVURJKSA-N 442.453 0.062 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)CC1 737168474 PVWXWQFSXFRKDE-UHFFFAOYSA-N 427.505 0.503 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)[C@H](C#N)C1 754380300 QICRFMXESQRVSI-OAHLLOKOSA-N 441.496 0.707 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758058150 JZIDJJSJHJUWKV-UHFFFAOYSA-N 430.917 0.556 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758120682 PQXKLDNFMXEHSK-MRXNPFEDSA-N 427.530 0.338 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CCOC 758563733 VVGSYTMVUFPNFV-UHFFFAOYSA-N 439.541 0.357 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760384866 JCXOGBVMPBPKQG-UHFFFAOYSA-N 445.570 0.538 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 770308211 CFQYGNQEMDVBMS-UHFFFAOYSA-N 442.469 0.177 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)[C@@H]1CCS(=O)(=O)C1 783482118 UVBCGVUHSOUNBI-QGZVFWFLSA-N 441.513 0.869 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 785047685 AEGCOCFVVNHFOT-QKIXXSFTSA-N 437.522 0.454 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 788328647 JSSLNLCAYCJJPC-UHFFFAOYSA-N 425.894 0.670 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)n(C)c1=O 789475460 GCEMBJUVHSIKHR-HNNXBMFYSA-N 440.435 0.657 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1cc[nH]n1 789946299 HETAAMSTJRNDOM-UHFFFAOYSA-N 429.481 0.157 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789958777 KJESJMMCRZQFDS-NRFANRHFSA-N 426.473 0.680 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](CNC(C)=O)C2)[nH]c(N2CCC[C@H](CNC(C)=O)C2)n1 804388267 RIXXYXHSXBYDBV-KDURUIRLSA-N 442.568 0.044 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804497931 KEEMWTIXBBEGAI-DZGCQCFKSA-N 442.563 0.339 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCC[S@](=O)Cc3ccccc3)CC2)n1 805406331 SWPULRUUQBUKIE-PMERELPUSA-N 425.514 0.667 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 808566814 CMEJYGNVMSFTMI-OAHLLOKOSA-N 428.399 0.681 30 20 ICED CC(C)(C)OC(=O)N1CC(O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 816497792 SFOPJGMLSPZZNI-UHFFFAOYSA-N 438.506 0.213 30 20 ICED CCN1CCN(C(=O)[C@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916604787 QFDNEGLVMPMPMB-HNNXBMFYSA-N 436.534 0.601 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 917038831 UFSXIIMZCAEZQF-ZMSDIMECSA-N 433.486 0.056 30 20 ICED CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918315702 FYIATXNRWNYAOY-QJOMJCCJSA-N 449.533 0.423 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cc(C#N)c(O)nc1=O 1136474958 NAJYJSAGUDHOCJ-UHFFFAOYSA-N 431.474 0.440 30 20 ICED N#CC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1521115348 SRZNWITVHXTGDL-UHFFFAOYSA-N 448.578 0.854 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1541675859 ZSVQIBNNYRHJLQ-RTBURBONSA-N 444.584 0.440 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1611707263 NVUURSDMNQSEAW-IYJAJMOOSA-N 437.570 0.226 30 20 ICED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1712875691 RPJGKXKSFVISOU-LJQANCHMSA-N 428.428 0.226 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1722484172 SPTFWJVMCSSOBO-PWSUYJOCSA-N 434.360 0.907 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1746436631 SXCLOUBGIQUCGQ-RCCFBDPRSA-N 437.614 0.945 30 20 ICED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)S(C)(=O)=O 1766867107 MNUZNOLQUGRADJ-UHFFFAOYSA-N 445.549 0.815 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770732140 URFYXHVYNLNZFA-GOSISDBHSA-N 434.497 0.646 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1=O 1771130131 RSIFYKBFMSXBLM-BZUAXINKSA-N 438.554 0.413 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1778881846 AYCBPTUMVLQCAG-QVKFZJNVSA-N 426.477 0.630 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1778952931 HRFFZWWLZRCQLG-IWHDTAQISA-N 439.513 0.053 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c(=O)[nH]c1C 1779102448 YJKSLCVILJUMOD-WIFRZSDBSA-N 447.492 0.359 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1779107068 ROQNAJRIWZJBDW-BJJFTATMSA-N 445.520 0.874 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779429578 WEFRMLXWNSFXIM-RSBZRLIOSA-N 438.525 0.556 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1781264824 DOZMRXNROQCVHK-QFIPXVFZSA-N 435.521 0.728 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)c(C(F)(F)F)n1 1781419766 WTDIGEKRTSEWNN-GOSISDBHSA-N 449.393 0.707 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(O)n1 1783155132 AVRHVONBMCUFSW-IVZQSRNASA-N 428.489 0.485 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(C)c4c3CCC4)C[C@@H]21 1783530854 NNVQWMKVCJQHOW-LYGXWFJISA-N 441.532 0.361 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567767 ZBCNGHHJFIWHBN-AOMKIAJQSA-N 449.504 0.551 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]4C3)cc2C1 1783683913 QXGKXYRUTSQBIS-IEZWGBDMSA-N 428.537 0.862 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C=CCN4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089222 AHKHHMTTZXPLBY-IUKKYPGJSA-N 446.548 0.910 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784484074 QKIQCCLFSOKGRU-NEPXVJNWSA-N 449.548 0.871 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1785365364 UFLUGZZNFXXAPN-OAQYLSRUSA-N 446.529 0.764 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375617 FKAZWURHPPXDPG-JOCHJYFZSA-N 437.456 0.879 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380201 QLOXVGAEVJETOP-AOMKIAJQSA-N 426.473 0.458 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785518085 YYPBKEWEHNLPJT-FOIQADDNSA-N 438.481 0.186 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]2C1 1786790692 UIGMOTIYRMIGIF-TXTZMMAHSA-N 436.553 0.478 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860187 NTGQSEKNZGVCMJ-VJANTYMQSA-N 430.553 0.781 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788256769 URPSKHMAGXDUSU-MPGHIAIKSA-N 447.561 0.529 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829351 AABPLMOLZNIWPN-XRWXCUELSA-N 436.512 0.939 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793357837 CHZYMNJBNJEINY-VWPFQQQWSA-N 427.457 0.616 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793374243 BVIZWLYMALCTOQ-DFYYWFRZSA-N 449.529 0.207 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1793774544 UNBOZSFWFGHZKY-GFENJXEQSA-N 446.891 0.959 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nnc(Br)n3c1)C2 1795082950 AYRPYNTYPZHMFV-JJLQDPRZSA-N 433.266 0.609 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)C(=O)C1 1795465957 FUWWETDXHLKZRZ-MUJYYYPQSA-N 433.509 0.618 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1796447258 YPEDNPKYJMWFGF-FPLQNCHWSA-N 442.497 0.334 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncncc2c1 1797465960 RIZXWZGNWWSYSV-DBXBBDQRSA-N 435.484 0.691 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1797728869 KFJLDOIKSHEYEO-XEMDLRDOSA-N 433.629 0.467 30 20 ICED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808535 JBCGVZCRKDADBH-YSGZWNJSSA-N 433.465 0.217 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)ccc1F 1799322766 FZPOPSXLTMGMNQ-CWPLJXCYSA-N 430.436 0.282 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 1800872412 SBLXPRSEMMSREH-HBCWATKFSA-N 439.921 0.231 30 20 ICED Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1801247989 FVGVDKGDIDMJFO-FRWZUMQFSA-N 430.553 0.951 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1806770613 YLRRGOXFVTWXDS-JFVAUKISSA-N 432.502 0.844 30 20 ICED CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810331753 QUCXZHNYAFCVCM-AVRDEDQJSA-N 426.517 0.922 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810352474 BMMCAPCMXYWHGP-RCLSDMTESA-N 446.548 0.311 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)c1 1811406975 ILADFPNJHYPTKA-UTKZUKDTSA-N 446.471 0.968 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819476893 KJNNNXRJVTZLPN-XUYYYJLXSA-N 429.481 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccncc2=O)CC1 1823749035 DIZMQRNFPVNDCV-RURPWVQCSA-N 441.532 0.721 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826030636 BDDMYJGTVOEPND-NURSFMCSSA-N 436.563 0.844 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1826892248 AHCVAGWNVTUENN-SFHVURJKSA-N 431.585 0.728 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1829748591 BJEZSGFWDPFQQI-SUMWQHHRSA-N 429.568 0.604 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1829890474 GEYSFEQQYHEJNO-XMHVBLFMSA-N 432.521 0.497 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)cc1 1829907625 MLHTXSZDXUPOJH-HSZRJFAPSA-N 437.500 0.913 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1831020001 LZDOMASRPRWODE-NRFANRHFSA-N 428.445 0.080 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1831216252 HDCPXHTYMBKUAJ-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831398386 AJYWHDUZWLMSMQ-VGSWGCGISA-N 426.473 0.443 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831460123 AYOVULLTYAHJQP-HRAATJIYSA-N 449.529 0.309 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831492181 KEPYVFVHOMXDPL-PXNSSMCTSA-N 428.551 0.907 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CCC1=O 1832379632 AAQPNPVUQOVMDF-JOCHJYFZSA-N 439.472 0.236 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1833467819 BMFNWMICQFRPJE-SJORKVTESA-N 435.569 0.304 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833481271 VXGFWHAURPNLTO-BTYIYWSLSA-N 435.452 0.338 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1834742752 WQUYLLLBKSZHQN-QAPCUYQASA-N 439.557 0.422 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675046 ULIHQCSUAMYGQR-QFIPXVFZSA-N 448.568 0.007 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836011636 KLKKDXHRSAPNRI-QFIPXVFZSA-N 431.537 0.686 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1836062566 QRQPRQKNTPECRO-QHCPKHFHSA-N 444.532 0.118 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1836071722 YOKROGUYEOOQIT-QFIPXVFZSA-N 446.504 0.076 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836370034 DMXWAVJHHPEBIO-FQEVSTJZSA-N 446.847 0.146 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccccn5n4)CCO3)C2)c1 1836397504 QYXNRUGWLWFCFM-NRFANRHFSA-N 435.444 0.313 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020580 TYKWKKLHSVFHLR-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1837395256 VJCWSRXRYGOXGT-HTAPYJJXSA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1837396399 CMVAMMWYWWRXDZ-SELNLUPBSA-N 446.548 0.501 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837663276 UMCBLZDRISZEEM-IBGZPJMESA-N 447.469 0.160 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(OC)c1)CCO2 1837980080 YYSNHNQWOLKUCR-QFIPXVFZSA-N 447.488 0.670 30 20 ICED NC(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1 1838774035 KPRYAFGFSCLIDC-UHFFFAOYSA-N 427.457 0.486 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C)CCO2)C1 1839817114 IKLQSPWTYRBVFD-XFKNCTKQSA-N 435.521 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3ccccc3)CCO2)C1 1839949368 AIAMUBRWAMLVNL-MSYCTHLASA-N 430.501 0.949 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2)C(F)(F)F 1840007146 QALFPATVYINPDB-ACBHZAAOSA-N 446.422 0.905 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800905 YQOFZFBDOSVMDH-HRAATJIYSA-N 435.546 0.581 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1=O 410113590 TVAJRSBERKKSHF-IBGZPJMESA-N 448.545 0.398 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1=O 467674697 FIXLPBNRDQDRBD-PVAVHDDUSA-N 425.482 0.195 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)c1C#N 471701658 QMJZEYHCBQIYAF-LHSJRXKWSA-N 427.509 0.750 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 471970116 MEYBTYKIKRQIFF-UHFFFAOYSA-N 439.541 0.955 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)s3)c(=O)n2C2CC2)CC1 477033543 FNKNRCKBYDVZMP-UHFFFAOYSA-N 444.582 0.982 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 478739563 QOGHIGXJNFNXSI-OLZOCXBDSA-N 436.515 0.750 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(Cc3ccon3)c2=O)o1 480929515 BCSIHCSGDRWSQS-INIZCTEOSA-N 440.481 0.646 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)CC1 484018284 OSHSCNAKPVZREJ-UHFFFAOYSA-N 428.468 0.611 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)NCc1ccccc1 492793448 VCSGLXBMXOYTBY-HNNXBMFYSA-N 431.456 0.958 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 499939421 OKWWQLGIALKKGW-SFHVURJKSA-N 445.545 0.110 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 502873653 YTHDBLIHSHYTAG-CYBMUJFWSA-N 433.563 0.796 30 20 ICED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513312573 RCTLGOBGKMKPHS-KRWDZBQOSA-N 429.408 0.594 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 516033980 OLCAYBKGTCRCFO-GOSISDBHSA-N 435.440 0.569 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 522277080 FCOJSARPFRHZKG-UHFFFAOYSA-N 443.525 0.147 30 20 ICED Cc1nc([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n[nH]1 558058391 WZELXQHDMWNHOR-QZTJIDSGSA-N 435.488 0.608 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 558528770 ZAJKDFHHTQEBIC-CQSZACIVSA-N 437.382 0.457 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)n1 564111466 YCPUUYGXBNCPIX-RBUKOAKNSA-N 426.521 0.096 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 579983268 LSTSYKSMMJDBSS-TZMCWYRMSA-N 430.552 0.539 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 580734385 ARLOYHDRAPDJMC-UYAOXDASSA-N 427.549 0.212 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nc2cccc(Cl)c2n1C 581092056 NVLCFKFATNKJRS-UHFFFAOYSA-N 428.884 1.111 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)n1 682877023 SYSOPUTWJVIBQM-UHFFFAOYSA-N 428.514 0.520 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C[C@@H]2O 728387875 POYBUYBURKTWFX-AWEZNQCLSA-N 431.470 0.818 30 20 ICED CCOCCS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 732506603 QHEYESIGJJIBBU-UHFFFAOYSA-N 431.536 0.768 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831251 VZJGREVJYYVMJN-SWLSCSKDSA-N 427.417 0.707 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 755489444 OUNVTRYUEYNELM-USJZOSNVSA-N 427.482 0.135 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 764032366 IHTMWQSXXZSMHM-CQSZACIVSA-N 438.487 0.835 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1F 766342604 IYVGFEWDCIEZOZ-KRWDZBQOSA-N 438.525 0.669 30 20 ICED N#Cc1cnn(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1N 767898212 BFXYCPUBUSFJRW-UHFFFAOYSA-N 434.453 0.430 30 20 ICED CCOC(=O)C(F)(F)[C@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 772845658 XGJOGGBTMOYQHY-JTQLQIEISA-N 436.437 0.107 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 773801154 XBEIWTNVSASROO-JKSUJKDBSA-N 439.465 0.082 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CCCO1 773801918 YHTMZVJWYIVBPJ-RXVVDRJESA-N 442.516 0.595 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1cc[nH]n1 780800833 RNJLVRMNOXABQL-UHFFFAOYSA-N 432.506 0.555 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)ccc21 787888927 LXQFERDQQKQMJC-MRXNPFEDSA-N 425.445 0.871 30 20 ICED CN(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1 796863076 LMVXLMWGAXVXOH-UHFFFAOYSA-N 425.463 0.995 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)C1=O 798466318 URESZEXXROTXLJ-QGZVFWFLSA-N 430.548 0.908 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)C1=O 799267122 DCPAZRFGAOAYRT-HNNXBMFYSA-N 432.477 0.589 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 802555415 NQKWWLSCMRMEIA-CYBMUJFWSA-N 429.445 0.489 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 811828774 DAYDFFHAOUUSMG-MRXNPFEDSA-N 436.486 0.557 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nncn2C)c1 918280527 YUUHQRSQKWUHHY-JLPGSUDCSA-N 447.521 0.663 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 918435395 CPOFHTSBRVCJON-HOTGVXAUSA-N 434.518 0.105 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1 918607772 BVPPKLRSRPUOQU-MNDPQUGUSA-N 428.536 0.864 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2)o1 1117080402 GTASVJXBNLYYDB-UHFFFAOYSA-N 448.505 0.733 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1302475739 WGTWBTXKYIYGMX-GOSISDBHSA-N 446.533 0.704 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)CC1 1320610108 ODTSCSAECSQCQJ-CABCVRRESA-N 441.579 0.831 30 20 ICED Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1510426025 UCTQSLOXMZXLCO-GXTWGEPZSA-N 439.567 0.933 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1513358852 UKYLYKABWCGSHG-KRWDZBQOSA-N 429.522 0.530 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1519534394 UZNFASRGOPBCNU-QGZVFWFLSA-N 443.533 0.567 30 20 ICED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1)OC 1619606823 CWMVQJZRLKXDCM-ICSRJNTNSA-N 442.520 0.911 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690328375 KLIDOPIQNJNCRQ-ZIAGYGMSSA-N 429.934 0.743 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NC1CCCCC1 1706070779 NZHYTYXMNWZWER-KBPBESRZSA-N 425.559 0.933 30 20 ICED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOC1 1729953179 IUVQMQPOTJZSNE-IERDGZPVSA-N 426.477 0.846 30 20 ICED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1749096928 XXTDKZHJYBFIDU-UHFFFAOYSA-N 428.316 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777846866 VMMOZZRPWXQOEZ-FLEHTSQISA-N 444.488 0.479 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5c(=O)[nH]c6ccccc6n5n4)C3)C2)C1 1778052296 AQURFHITWYCPFM-HSZRJFAPSA-N 448.483 0.981 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1=O 1779099175 BGLROBOPKBEQRD-LYBQEQRRSA-N 432.477 0.358 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139410 SGOUPUFKWTZVNT-HQRVVKCNSA-N 449.460 0.023 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779255696 SPXBSTXUGSNWSN-JPYJTQIMSA-N 433.549 0.820 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1cnnn1 1779429523 VKXDMQJCAOCMHF-FNCSKKEUSA-N 449.512 0.277 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780016674 MTNQYLKSBRTONR-VFNWGFHPSA-N 429.477 0.366 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H]3CCC(=O)NC3)CCO4)c2c1 1782195338 YNODGGAAFGKMEJ-QRQCRPRQSA-N 436.472 0.404 30 20 ICED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1782195713 HXKFXDXGRVRTCL-WHSLLNHNSA-N 425.526 0.962 30 20 ICED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccc(Cl)cn12 1782500386 FWYPZMVPRPFXBI-FQEVSTJZSA-N 430.848 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1782648665 FZVXIMQKRILFSS-YGVMJJITSA-N 426.517 0.949 30 20 ICED CCN(CC)[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1782818091 JXSJGSTZMFTNTR-JTHBVZDNSA-N 427.501 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1783531022 GVNPKXLGDQYQHX-CXLTZZKYSA-N 429.521 0.191 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCCCCC(=O)OC)C2)C1 1784042915 HANNUEVOBAGHLX-DYYZXQNHSA-N 435.521 0.798 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1784531876 QHLKWCGXBZJQTB-XZBVAUNFSA-N 442.607 0.723 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1784997810 NUPXTCUTSZBNCV-FHWLQOOXSA-N 447.580 0.651 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1785362739 KAWSHBGNVSAIJV-FPTDNZKUSA-N 441.488 0.516 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)Cc4cn5c(nc4=O)SCC5)CCO3)C2)CCC1 1785367200 BGRGOWDNABZAKY-NRFANRHFSA-N 443.529 0.415 30 20 ICED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786638830 KBGGWLMSVVARFD-UHFFFAOYSA-N 440.504 0.954 30 20 ICED O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)=NN1 1788553841 NRSCPJPCGZUXKP-MEQXWADUSA-N 430.486 0.343 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788716136 ZCXSIBVVBZPGRN-SZMVWBNQSA-N 444.488 0.509 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 1792231107 ONGZZFNMSLIQBD-NUTKFTJISA-N 433.392 0.344 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)C1 1792440713 PYJIXLKTIJKDPE-BCDXTJNWSA-N 425.551 0.214 30 20 ICED 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)COC1 1792621900 BFUBHWTYXUAPJE-YYIAUSFCSA-N 435.521 0.529 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccon1 1794930441 IRZVMONIWSRBMS-FSDCSDTHSA-N 432.477 0.794 30 20 ICED 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#CC1CC1)C2 1795893637 HEQBDTTZGFBTHL-STEXWYFWSA-N 447.532 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CC[C@@H]2C 1796968421 OYJRQRZEFDKTON-MYSSAPLFSA-N 427.505 0.521 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796979444 CQIRGABBUNOIQF-REGYPHIPSA-N 440.500 0.119 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797837656 CIESNFSBYNDYQH-RCYRTTBSSA-N 441.488 0.840 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797969304 UTIIZIGAVMVFDR-MUJYYYPQSA-N 443.504 0.778 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799146324 FLTCLNGBZOKIHB-DOZWFGMRSA-N 433.549 0.550 30 20 ICED Cn1ccc(=O)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327500 FUYFJCRXDREARZ-FAQVEIGNSA-N 438.459 0.842 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CN(C(=O)OC(C)(C)C)C3)C2 1800455454 BETHFOSCMNGASU-ZSBFGKGUSA-N 443.504 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2ccnn2)[C@H]1c1cccnc1 1802489761 LWWAUNYDSPBWFW-SXMSABSBSA-N 437.504 0.799 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)[C@H]1c1cccnc1 1809452029 HTUMOVCSJMYBIA-DNVCBOLYSA-N 441.451 0.919 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810326337 BMXABIONTSJBDT-QUCCMNQESA-N 426.517 0.874 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1811517588 VJXDXPUMLQDHQT-UCLAIMLFSA-N 446.460 0.019 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1826892246 AHCVAGWNVTUENN-GOSISDBHSA-N 431.585 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)ccc3O)C2)C1 1829768967 LSCWNJNASIAEIE-FUMRIQNTSA-N 443.500 0.629 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(F)c(F)c1)CCO2 1830275650 CTYCWDMWPISOQN-OAQYLSRUSA-N 436.411 0.442 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(C)c3)C2)C1 1831386192 BULWMMKPFMPKDV-XXBNENTESA-N 429.517 0.817 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831433302 HFQVXDFWCFWCHC-YCRPNKLZSA-N 429.477 0.619 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832514340 MSBJDSBZLBYZLT-VWCWDRGUSA-N 449.548 0.100 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC3)CC2)C1 1833046353 VGULPGACQWPWMO-INIZCTEOSA-N 440.610 0.852 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833443531 PPJRPIWJVIHCSU-IIBYNOLFSA-N 436.509 0.072 30 20 ICED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)no1 1835774778 DVLZDNPCFFTHCU-UHFFFAOYSA-N 442.520 0.588 30 20 ICED Cc1nc2ccncc2cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836842153 WRLOLJUOYUDSLJ-JOCHJYFZSA-N 438.440 0.096 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160581 QGGQVKOHWBBYMH-CVDCTZTESA-N 442.516 0.977 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563669 SVRCQORWUHPWKC-ZYNADVRWSA-N 432.452 0.946 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837564601 ZAIDBWWXNHRBSA-ZKSMDFIPSA-N 446.420 0.100 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838309022 ZQJXMXNELSXRTG-QRWLVFNGSA-N 440.928 0.717 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)n1 1838671515 LPQNIHJLVLEEFY-XMHVBLFMSA-N 445.520 0.637 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)cc1 1838951574 YBOHAVYSSXYDGZ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839516879 UYHBMKRYMAWEDZ-HXUWFJFHSA-N 436.534 0.655 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839811494 YULIPGIPEKVVFD-JTSKRJEESA-N 435.521 0.936 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1)C(F)(F)F 1839893302 RCEKUWNHWCFSGM-GOSISDBHSA-N 439.394 0.918 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840038590 MEPUXKYCNIFLGP-VGSWGCGISA-N 435.521 0.723 30 20 ICED Cc1ccc(SCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840042744 MXCYNJLPPUSULC-OAQYLSRUSA-N 432.498 0.632 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840103680 MOOSIBLXJMDVKR-QFIPXVFZSA-N 437.537 0.438 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840823563 XQDIESHLVMWCKX-XOIGSVRCSA-N 427.448 0.347 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099454 HISDUTYZDUPELY-LJQANCHMSA-N 427.457 0.799 30 20 ICED Cn1c(=O)n(CC(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)c2ccccc21 1843859286 LUFCVWYPEBFNGL-UHFFFAOYSA-N 438.532 0.825 30 20 ICED O=C(NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1)c1ccc[nH]1 1848179187 RRHHLKUTYGNIBQ-WEZAHOIESA-N 431.493 0.865 30 20 ICED CC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@H]3C 2048532184 MVCRKRBIKNEKEE-ACDFWTBPSA-N 443.452 0.756 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442057395 NNDZAWGBNRNZEH-AWEZNQCLSA-N 428.468 1.125 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1 442505027 GDNXUAHLHCLZNN-HOCLYGCPSA-N 425.507 0.430 30 20 ICED N#Cc1cccc(-c2csc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)n2)c1 446521933 NSRWUNNKESFYCA-AWEZNQCLSA-N 434.499 0.628 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460783045 CWVPLLRWFJMGCN-IRXDYDNUSA-N 436.582 0.499 30 20 ICED COC(=O)C[C@@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 464435725 GFHPXCLUMMOQRL-FQEVSTJZSA-N 435.502 0.797 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 464857413 SNBKADFPECUVQW-FUHWJXTLSA-N 446.577 0.817 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480186209 USHHZVMCQSJBDZ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)N2CCC(C#N)CC2)CC1 480458447 IATFMLZBBTUTTF-UHFFFAOYSA-N 433.534 0.001 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2sccc2OC)c1=O 480951511 LIEWUFHTTDBKJG-UHFFFAOYSA-N 449.554 0.961 30 20 ICED C=CCOC[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 481785438 JMGDBERKXTXDTA-IAGOWNOFSA-N 430.461 0.397 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 491260120 UCRJVAHPSHLHEI-UHFFFAOYSA-N 441.532 0.616 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 508305636 LVGNYHFDRPKSSU-QGZVFWFLSA-N 437.460 0.073 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 511455992 VBWYJPGBRYREGR-INIZCTEOSA-N 444.469 0.922 30 20 ICED COCCOC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 514409952 MAISMDUOEAKXGJ-PKOBYXMFSA-N 428.489 0.681 30 20 ICED COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 525778130 UPVHUCTZSVSHHT-UHFFFAOYSA-N 434.433 0.254 30 20 ICED CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 540363671 OPOVXAUYFWALQF-AWEZNQCLSA-N 446.533 0.762 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n(CCC#N)n1 542880513 GMLAPOYSJXVBEW-INIZCTEOSA-N 436.538 0.897 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 543219473 QQCYQRQEEOXCQC-KRWDZBQOSA-N 442.476 0.658 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 544768410 GXRBEBIJVAOIEP-ZDUSSCGKSA-N 446.489 0.467 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545856360 FBEQPHICKMEMMN-HIFRSBDPSA-N 446.489 0.467 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1sccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 556210287 TYSZBKULGVKHJQ-HNNXBMFYSA-N 429.506 0.895 30 20 ICED C=CCN(C(=O)NCCn1cc(C(=O)OC)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 556442880 QFDKGHCQURNUGG-CQSZACIVSA-N 425.453 0.999 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cc1 556624439 RJBKZBXKJIEVME-WFASDCNBSA-N 429.520 0.123 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 557276176 MDTDHAIICCFNAC-UHFFFAOYSA-N 434.500 0.767 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 557673680 QXINXIJSNCKNDV-IUODEOHRSA-N 434.440 0.604 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)c2)C1=O 560057447 GLWUOUPCESSVSI-APWZRJJASA-N 433.490 0.470 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 561903779 HENQWNNNOSUMRT-MJGOQNOKSA-N 434.924 0.733 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N[C@H](C)c3ccc(OC)cc3)no2)C1=O 574145252 HTTGLBGLKJNSCJ-GFCCVEGCSA-N 427.417 0.975 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCOCC1 584546189 NAYYMNKYGWJHPU-SJLPKXTDSA-N 431.512 0.867 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3nncn3-c3ccccc3)CC2)nc1 587658865 FWTRNCSEMRSKID-UHFFFAOYSA-N 430.472 0.935 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 588832490 MTIHYZCZZVGDFC-CYBMUJFWSA-N 429.520 0.645 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCc1cccnc1 610245067 HTAOEVARCZEZCY-UHFFFAOYSA-N 434.521 0.943 30 20 ICED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CCN2C1=O 611430311 WXMCCBVLZIVUPK-JKSUJKDBSA-N 430.534 0.425 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1=O 685058035 TWDDWBQPDIZVIT-QGZVFWFLSA-N 434.518 0.088 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1cnn(CC)c1 732563340 VAALLQZTTMRREW-UHFFFAOYSA-N 439.545 0.751 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910307 NFWWWNUHLHLWKM-MSOLQXFVSA-N 431.514 0.434 30 20 ICED CN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 733098559 XOKFFJFFYVPSOG-QNGOZBTKSA-N 449.489 0.639 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn(CC(=O)OC)c2)c1 743255306 IACJLJYARVLXQD-UHFFFAOYSA-N 446.485 0.092 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 758758504 IKXWKTLLSSQEHA-SOUVJXGZSA-N 429.543 0.716 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CCOC 760376560 AXDVCXJOQPNPMF-UHFFFAOYSA-N 436.921 0.179 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnnn2CC2CC2)C1=O 769756906 ANZBRCMJTBTICK-CQSZACIVSA-N 442.505 0.450 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777457353 QVHBDNCTRFMKEX-HNNXBMFYSA-N 440.547 0.654 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)nc12 783348504 ARJDXKQSRJJOSW-CVEARBPZSA-N 425.376 0.764 30 20 ICED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 784606282 HVCANMQTRAICME-UHFFFAOYSA-N 441.937 0.719 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)C1=O 799176035 BHUHXFXTHAEDGB-IERDGZPVSA-N 429.477 0.212 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)c1 799845797 ANNDQNFMYYKTAV-HACONHBVSA-N 440.547 0.465 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)cn1 805092541 MCCUHXIWNLQPCX-UHFFFAOYSA-N 435.531 0.384 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)Cc1cnn(C)c1 819666412 QUGXUPXLUKOVFA-WMZOPIPTSA-N 447.561 0.841 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(S(=O)(=O)CCO)cc3)NC[C@@H]2C1 849092864 JWPLLTCYTOFVBY-MRXNPFEDSA-N 438.550 0.833 30 20 ICED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1ccc2c(c1)NC(=O)CO2 854412803 MRIYEDONKDRIKR-NSHDSACASA-N 443.437 0.871 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 915785163 PHMWZAONXXBJHO-UHFFFAOYSA-N 441.879 0.710 30 20 ICED CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1301212713 XGWNOIJWEMOQME-INIZCTEOSA-N 443.485 0.551 30 20 ICED CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1313927384 KIGSDBYLVXGEAZ-QZTJIDSGSA-N 430.557 0.155 30 20 ICED Cn1ncc2c(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C#N)cc5)C4)CC3)ncnc21 1337951804 LRECYKHFYWEAGS-INIZCTEOSA-N 430.472 0.937 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)CC2)cc1 1467808382 UQNUNBVDNIVEOA-RTBURBONSA-N 432.546 0.626 30 20 ICED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N(C)C)C1 1472574716 VVPOTEMPRCUVIL-MJGOQNOKSA-N 449.577 0.530 30 20 ICED C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494519009 MRWWKLVNSBOIDC-KZNAEPCWSA-N 431.541 0.742 30 20 ICED CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1508728322 IZVSUDSSPDYJKH-OAHLLOKOSA-N 440.570 0.902 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1554505559 XEYVOGYMPKCCCL-IAGOWNOFSA-N 443.533 0.613 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1617626520 ZIRRDRLKSAKBGK-UHFFFAOYSA-N 441.536 0.710 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690346242 OGCQLZYERMONFX-CHWSQXEVSA-N 432.934 0.030 30 20 ICED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1692723528 LPEYDWOXWCOMPD-KRWDZBQOSA-N 441.536 0.974 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740822683 NSTVWGFWCYOKSO-HIFRSBDPSA-N 446.961 0.421 30 20 ICED CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1745788284 UFDAPPNXZJZLBL-CQSZACIVSA-N 431.522 0.915 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCS1 1761498294 DBLBFFCHTSHITP-NUEKZKHPSA-N 439.611 0.960 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1763083033 VFFDDXWADYWKRE-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2)C1 1770351384 SRLQGTYWZBFVAI-DLBZAZTESA-N 432.506 0.388 30 20 ICED CC(C)Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n(C)n1 1777765059 DPOHPBKGJVGSQV-XMSQKQJNSA-N 430.505 0.834 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)c1ccc(O)cc1 1778005297 CIBWQOZDBJKYER-IKQBDLNTSA-N 442.560 0.689 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779401442 UNCPJVYKGODUOY-DENIHFKCSA-N 443.548 0.881 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c(C#N)c1 1782629975 UEKISERWNXTJRJ-MVLVPLOLSA-N 440.500 0.979 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783106119 ABJPVNMFPFZXNA-CKJXQJPGSA-N 425.526 0.914 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C1 1783196928 CYLUTFXRYKJSAS-MAUKXSAKSA-N 432.420 0.523 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)C(F)(F)F 1783210872 JZQRROXGFVKZTF-KRWDZBQOSA-N 444.366 0.705 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1784193259 OJLOZMGCTNOBKO-HTAPYJJXSA-N 437.537 0.896 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc[n+]([O-])c5)[C@H]4C3)c2c1 1785494064 LIJYQYAYNHSPSH-QRFRQXIXSA-N 446.467 0.975 30 20 ICED Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn1 1788657821 IJQSGQHANIYMJK-WYUUXHQOSA-N 447.536 0.861 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791283980 XRDDCWIFGWMGNF-LNXOKNDVSA-N 426.510 0.155 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2 1793344549 IRNNRGUZZZOXAH-IHSNIMORSA-N 449.511 0.812 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1=O 1793548186 PROLLPZKGGTCBZ-XEMDLRDOSA-N 427.501 0.287 30 20 ICED Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1794121051 BKQBKCXOGPGOAC-ATUNPDHRSA-N 433.509 0.619 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C 1794786579 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CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC#N)CC3)CC1 1818640767 KWVWULOAFUOYAK-LBPRGKRZSA-N 425.536 0.640 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1828888125 ACDNWQNMOQVTEM-VQTJNVASSA-N 439.597 0.466 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635769 ODUNJTOBNCAPJV-GAJHUEQPSA-N 442.516 0.472 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063046 HUZIMMYRRHAKIM-NRFANRHFSA-N 438.525 0.907 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1 1830224912 PFJZVBMGQCESRN-AUSIDOKSSA-N 443.500 0.879 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1830458381 BCBMTACWQHFUFX-HSZRJFAPSA-N 437.500 0.844 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1831139730 ZNXZREYEFLPMPC-NRFANRHFSA-N 434.493 0.534 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc([Si](C)(C)C)c3)C2)C1 1831396329 JNZYTZVLLUOMFV-VGSWGCGISA-N 448.592 0.933 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831418891 HTCRWVXZDFYKGF-JTSKRJEESA-N 432.521 0.809 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3c(C)cccc3C)C1)CCO2 1832544303 XABBZTNLNGNJHW-NTKDMRAZSA-N 439.512 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832701515 MBKHNIHFBVEKGE-UWJYYQICSA-N 433.530 0.668 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833491511 OFCFCXIRTFNXJY-SJLPKXTDSA-N 444.598 0.577 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cn1 1834171749 PZYKSQOVGCSQOH-KTBYTZPXSA-N 444.513 0.991 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834328811 PBJZTCOSEXLXMF-JOCHJYFZSA-N 441.463 0.744 30 20 ICED Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)c(=O)[nH]c1C 1834599994 LDKINBVHJGKDAD-UHFFFAOYSA-N 426.521 0.876 30 20 ICED Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715323 UFWMGCHOEBNLKL-UHFFFAOYSA-N 430.557 0.580 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)CC1 1835344630 NABDGCDCNCZPAQ-SIKLNZKXSA-N 440.456 0.481 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1)c1ccccc1 1835431869 YMGFQFDZPHRGRE-GBXCKJPGSA-N 441.528 0.728 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1835768047 JELPGSWFXPBHKX-NGONFYQLSA-N 449.552 0.223 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051617 TTWRPZSSHSGNFZ-HNNXBMFYSA-N 428.537 0.973 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836172638 ZGQDIIDUUNWZLT-OAQYLSRUSA-N 427.436 0.664 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1836198918 IMUZVUIFNAGRPG-LWOHLBADSA-N 429.477 0.360 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836859103 OJGBNWKGJCKSIL-UZLBHIALSA-N 437.537 0.174 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837362414 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CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486803 QNGQCBNWHRCCSI-CVDCTZTESA-N 449.548 0.056 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524318 FICOESNJTACRBG-JLELOPKESA-N 435.481 0.019 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559788 HOKIWOMICYSHBJ-YVABFXQFSA-N 449.504 0.887 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837858503 JFAKGQRRBKNVTB-GOSISDBHSA-N 425.800 0.032 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnn4C)C3)C2)c1 1838580485 FOSVWIQYLBADGL-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n[nH]1 1838950302 IDVJRBZNIXHOPH-JOCHJYFZSA-N 437.456 0.868 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cc3)CCO2)C1 1838961549 QDZVJGNFFXNMQU-MBSDFSHPSA-N 429.517 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839175791 GFEMXIHYFZPEFU-KTBYTZPXSA-N 432.477 0.389 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)CCC2 1839583334 DRQSFOUYJZUEPU-QFIPXVFZSA-N 438.488 0.492 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839841617 UFHPMVFRVHTNGQ-YCRPNKLZSA-N 429.477 0.717 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839890431 AZNGOVRIODESAZ-MRXNPFEDSA-N 431.465 0.565 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840161491 REUAZZRSNOTZCZ-SQBHOSFOSA-N 437.518 0.227 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285753 ZHKGMYSIEDDVBK-LNDORKPDSA-N 439.843 0.803 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840293447 BSPDILBOZPTMNB-SFHVURJKSA-N 434.411 0.742 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c1 1840478862 DKGPQZOFLJSZCP-IERDGZPVSA-N 439.476 0.184 30 20 ICED Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)s1 1840813127 GEJZZSZYXQQPLZ-FQEVSTJZSA-N 433.534 0.929 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN(C)C(=O)C(=O)O)C3)cc1C#N 1846879243 MHHOPVQVXQNHOR-UHFFFAOYSA-N 442.472 0.705 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 16559588 SJAUAAJLIWATLV-UHFFFAOYSA-N 430.438 0.800 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 27088165 XPJPWWZOOOHLCS-UHFFFAOYSA-N 437.485 0.745 30 20 ICED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1 429309723 NOXLPBMRSYDBRS-SFHVURJKSA-N 432.506 0.514 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc([C@H]4CCCO4)nn3C)CC2)c1C#N 435306435 LZOSUJVRHUNBNT-MRXNPFEDSA-N 426.481 0.473 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 435944276 RYPSXOFQAIZCQE-HOTGVXAUSA-N 441.462 0.608 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 437024978 WXANQVUJKQSMSQ-RCJHGTSTSA-N 433.509 0.555 30 20 ICED N#Cc1ccc(NCC(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)nc1 438691038 LIPPQBTYXDMTFU-UHFFFAOYSA-N 435.469 1.545 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1 441726742 HLYPTGXEZMKIST-NSHDSACASA-N 443.357 0.956 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3c(-c4cnccn4)noc3=O)CC2)cc1 444405775 UAMSUCATCPVRFU-GOSISDBHSA-N 435.444 0.711 30 20 ICED N#CCCCS(=O)(=O)c1ccc(-c2nc(CC(=O)NCCN3CCOCC3)no2)cc1 445280689 MVOBNSSVDHBPFN-UHFFFAOYSA-N 447.517 0.805 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N 461199354 TWODBRFFRZSZFD-ZIAGYGMSSA-N 437.547 0.007 30 20 ICED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)S1(=O)=O 461355725 SZFZFZLUMGFWHD-GASCZTMLSA-N 439.559 0.993 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 480311844 UOFACDZHGJTHAR-CYBMUJFWSA-N 436.515 0.913 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccon1 480955524 RXGJKWZEGXSLGD-OAHLLOKOSA-N 438.509 0.909 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488256797 PVDAALJMWLQWIE-HXUWFJFHSA-N 440.548 0.855 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 498977589 HYXXWDPPGRPEJE-TYPHKJRUSA-N 448.589 0.714 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1F 500735271 OIHPRDPLQGXHCK-UHFFFAOYSA-N 432.433 0.834 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2=O)cc1 505282283 XVULRWYNKXNGFL-GOSISDBHSA-N 449.471 0.284 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506715167 IQUOGGONDYUTLY-CABCVRRESA-N 438.506 0.356 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2ccc(CC#N)cc2)C1=O 507779140 NXEHDXRKXYAFQT-AVRDEDQJSA-N 447.455 0.935 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C1CCN(C)CC1 516832162 WPCKGYWDCMRFKC-UHFFFAOYSA-N 444.532 0.581 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 520211105 BMCVSKWYLVBUBG-UHFFFAOYSA-N 436.494 0.966 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 520931912 NITGQTORNJKEQT-UHFFFAOYSA-N 428.474 0.149 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccs2)c1=O 523088832 ITWIMIIEXMVRLV-UHFFFAOYSA-N 446.598 0.675 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cccc21 542606470 MJSRCYMMPZCZEK-UHFFFAOYSA-N 448.483 0.776 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c2=O)c1 548150986 ALFRBEFBHMSUTE-UHFFFAOYSA-N 442.541 0.003 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 548697858 NBPDJYNHTZTNKJ-UHFFFAOYSA-N 431.434 0.199 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 550470429 MUNUHJXUFXHAFD-UHFFFAOYSA-N 448.527 0.750 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)C(C)C 551215648 OBNZCAXFUDTSSD-GOSISDBHSA-N 430.553 0.244 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 557641455 YYJITQDVCQONDO-SJLPKXTDSA-N 429.521 0.497 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1=O 564145217 YARWKUVJWKSIRT-MOPGFXCFSA-N 426.517 0.582 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCO1 573113767 UCRFWRABQGEQMA-MRXNPFEDSA-N 438.488 0.953 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOc3ccc(F)cc3F)CC2)c1C#N 573828418 QUQIKRMQZADCRW-UHFFFAOYSA-N 432.431 0.722 30 20 ICED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 576791921 MVLPGXSLFYWVDE-SSEXGKCCSA-N 425.514 0.782 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 587675000 RVGGAXSJXZUTAB-HNNXBMFYSA-N 444.513 0.977 30 20 ICED CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)s1 588126746 RDTZHCRICAXLGG-UHFFFAOYSA-N 434.522 0.073 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 589242071 PGBNERBXDSMQCL-HNNXBMFYSA-N 436.534 0.936 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@]2(C#N)CCSC2)c1OC 603671028 SPINWMXNSFRMIC-SFHVURJKSA-N 441.531 0.854 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911245 VMWDONSOLIZXMT-UHFFFAOYSA-N 438.431 0.443 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)ccc1F 609220374 WTYBPBOGASTXEZ-UHFFFAOYSA-N 444.532 0.721 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(=O)N(C)C 610574307 FNHDYXWTIAWTLS-UHFFFAOYSA-N 438.553 0.905 30 20 ICED C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 619565361 NUURBQZCHHGENU-KRWDZBQOSA-N 442.559 0.831 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(Cl)nc3)c2=O)cn1 727164784 QTRQABDQFYHNJX-UHFFFAOYSA-N 426.889 0.463 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)cs1 728760939 NJCHDUPGRQRAEB-UHFFFAOYSA-N 449.514 0.826 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN2C(=O)CNC2=O)c1 731105441 JYVIBIJEBPQKLO-JCMHNJIXSA-N 436.494 0.563 30 20 ICED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 732910408 PLDJHLFOTFEMIV-RURPWVQCSA-N 443.525 0.904 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831245 VZJGREVJYYVMJN-DOMZBBRYSA-N 427.417 0.707 30 20 ICED N#Cc1cccnc1NCCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736405872 QITHIICYBMXUNW-UHFFFAOYSA-N 436.538 0.638 30 20 ICED Cc1nc(=NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n(-c2ccc(C#N)cc2)[nH]1 741945749 IDGNYSXMJBQHNU-UHFFFAOYSA-N 439.476 0.887 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cn1 743725716 XKGUDGWTZJWKJU-UHFFFAOYSA-N 449.536 0.867 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C(=O)NO)cc2)cc1 746267939 AWUFLDCTESKRSZ-UHFFFAOYSA-N 434.474 0.701 30 20 ICED COC(=O)c1cccc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)c1C#N 755839464 WHYPHXJUJOCCTR-UHFFFAOYSA-N 432.234 0.903 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(F)cccc2F)c1=O 758069349 XYMPIRDVXDVJEB-UHFFFAOYSA-N 431.489 0.900 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 781449894 WLVKZCRNHUAZGZ-LBPRGKRZSA-N 439.398 0.831 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CC[C@H](O)C1 782056615 IONCQHNRLBPHQO-KRWDZBQOSA-N 428.514 0.608 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1OC 782602214 ZJPOZRLGSOTMMO-UHFFFAOYSA-N 447.429 0.345 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)[C@H](c2ccccc2)C1 787854719 MABLRUZBABZZTA-NRFANRHFSA-N 449.559 0.976 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)n1 790106129 RYHRBNFFKFZBAB-YLJYHZDGSA-N 448.545 0.528 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)CC1 813669802 RFQFJWBCICYISB-UHFFFAOYSA-N 437.518 0.065 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814249886 CUBAXZLWTDOEEC-UHFFFAOYSA-N 437.472 0.365 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c(Br)nnn1C 816144019 HZXQUHLRZQLDGN-SECBINFHSA-N 428.268 0.859 30 20 ICED CCc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839361757 GDFOKVCLRLURJW-UHFFFAOYSA-N 449.536 0.557 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)NC2CC2)cc1 918267226 VJCIOKCOPDSALF-JJIBRWJFSA-N 449.533 0.613 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 920249353 PPJGMXGMYMKZTE-QGZVFWFLSA-N 444.435 0.902 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 920345707 ZOWMRGPTDYRKAW-UHFFFAOYSA-N 430.442 0.999 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)N2CCOCC2)c1 920467416 QIPVLNDTTXXQTL-UHFFFAOYSA-N 442.497 0.514 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 920709254 JSZATUWBAIHMNB-KRWDZBQOSA-N 426.451 0.861 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1502239052 OELCBFIRESIRAC-UHFFFAOYSA-N 435.492 0.771 30 20 ICED CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)CCOC1 1504047322 IZPDQPUIGADSSO-KDOFPFPSSA-N 426.543 0.824 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504520390 ZLEHRPXUMWTJIW-RYQLBKOJSA-N 431.541 0.644 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1519164823 UTLWKAKSFJDWRV-UHFFFAOYSA-N 427.513 0.266 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC=CO2)C1 1555813096 KWIWSSVCCHDVFO-MPGHIAIKSA-N 440.501 0.746 30 20 ICED N#Cc1cn(CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c(=O)nc1O 1557602812 SHJUSJXIJICZSK-GFCCVEGCSA-N 432.234 0.825 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 1652849445 YPJAMYQCHSBPRP-FQEVSTJZSA-N 431.537 0.025 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1692569080 RJVSGMRUBGELAJ-UHFFFAOYSA-N 438.536 0.552 30 20 ICED CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1723566229 RZKAWCPKYOZNMP-AWEZNQCLSA-N 443.599 0.533 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1768530855 VKGOHBOPPZJQHP-WMLDXEAASA-N 448.505 0.411 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779019435 PPTVNLQSQZONOC-MHRHTVJOSA-N 432.477 0.719 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779021244 LSWBUHSTLRMBRZ-PIUNUONSSA-N 430.509 0.416 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1779102287 GOLDPSYYMKMZJQ-XCKVFWMBSA-N 433.465 0.458 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139672 ZFHSFNWKZFHHKV-YDIXPIFQSA-N 426.477 0.819 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c3nncn3c2)C1 1779318517 GFUSGHNIKFDUDS-FOIQADDNSA-N 445.863 0.598 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528133 DANFDNHITDVVSB-HXUWFJFHSA-N 432.433 0.128 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1)C(=O)O 1780169977 XUKYSNOYDMTQJO-LAUBAEHRSA-N 430.461 0.073 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1782009995 CTPKSKIGXRBYGF-VGOFRKELSA-N 440.456 0.271 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)[S@@](=O)c1ccccc1 1782015367 MWCYOPLIVQSMBI-PVDWPBROSA-N 446.525 0.785 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782558444 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N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787473431 UNXRGMBTKOKMSY-MVLSSTSQSA-N 442.564 0.403 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21 1788657810 IHMCNVRVVOQFQN-KGKSIKOPSA-N 436.553 0.981 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788659107 VRJDNQGMXCEPIB-JWWVDDTDSA-N 448.564 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1789890408 STFRGYRQUIDXED-XIRDDKMYSA-N 444.488 0.283 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791282960 JALFNFVNJWHSTA-MQBISMTMSA-N 438.525 0.054 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793085611 ATQVOSAYBWEQRV-SFNKJDCFSA-N 435.521 0.265 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC)n1 1793989278 IEHZZARHDCSBBE-VPTLXERWSA-N 431.489 0.732 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794646646 RNRIYYGCAHJJFI-KYHPRHEASA-N 443.504 0.596 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796044066 ASSZWYNQWCMAMJ-JYYAWHABSA-N 437.541 0.750 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCCC2 1796160941 GWTCRNJOWBSDGT-JLVBRIDZSA-N 428.537 0.774 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1796563118 BCYXDWIBKOKFIY-OMQMMRKDSA-N 443.504 0.543 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n(C)n1 1798167620 PGJLCOICAAWASO-OZHCATNZSA-N 433.509 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccc(C)c12 1800105035 KUKUWUPJCMHNNP-SNFMQTMVSA-N 437.500 0.704 30 20 ICED CCOc1c(F)c(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800779585 ORSJDQBGUBKZNO-XGISUXEOSA-N 440.374 0.794 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)n(C)n1 1801989582 QIISMRQLGLPEKB-VPTLXERWSA-N 439.472 0.583 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1807151661 WSPJOJLEUSSWJC-SCTDSRPQSA-N 426.521 0.505 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284755 SLOFNGVULWPNCR-YICACOGFSA-N 443.552 0.152 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812658276 KLNISYNNUCTQGG-AZUAARDMSA-N 428.537 0.895 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc(O)n3c2CCCC3)[C@@H]1c1cccnc1 1812880901 NRVPIPZVKVBJJX-MGPUTAFESA-N 437.456 0.728 30 20 ICED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774193 JLFYOFLAPZDBLN-YSRRJJCPSA-N 432.554 0.367 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1820894778 SZUJMZVUZRNFFD-ZFWWWQNUSA-N 434.497 0.504 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)ON=C(C)C)sc2C1 1823086228 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1833074299 HQLLWUKUVFQRLH-NJRZHNRPSA-N 445.608 0.901 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1833465201 QAFWBBIAFNCSDU-MRXNPFEDSA-N 427.567 0.031 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c(C)c3F)CC2)CC1 1834017511 FZYRMAPNFUQTAW-PLNGDYQASA-N 446.527 0.901 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1834121007 QVTFBWFSQDKXBH-XTSMJKTBSA-N 449.508 0.328 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)C(=O)O 1834741683 BZCXFMCZLGDIMM-HXUWFJFHSA-N 441.532 0.806 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1835096815 LZDKOFAEOGRUGL-HSZRJFAPSA-N 437.452 0.207 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836137327 IDBYRHWAPAJFCA-UHFFFAOYSA-N 431.537 0.938 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836451105 PIHOZECPVMXTCA-BTYIYWSLSA-N 427.461 0.066 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836866808 ZQAJRFQZONCSNN-KRWDZBQOSA-N 447.532 0.891 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837308948 FFQTXGNCJPBHNC-NFBKMPQASA-N 434.581 0.459 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837415085 SRDNZDSZQHTWFA-BWBSXDKCSA-N 437.493 0.665 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531577 PYMCLHSBOVNNKC-MYRHLRDYSA-N 449.508 0.626 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1837953209 LBOOZDXQUPYDPE-JOCHJYFZSA-N 445.520 0.442 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1838580861 URXBUATYNVJVFX-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nc5ncccc45)C3)C2)c1 1838736363 ZTBNQJWXERHBCR-OAQYLSRUSA-N 435.444 0.541 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1839422393 QKOWHAWDRFXRPB-OAQYLSRUSA-N 442.451 0.449 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c1 1839453906 JLFNGTHNRFYMGR-VGOFRKELSA-N 438.488 0.789 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cc[nH]n2)CCO3)cc1 1839719109 FSJIHBFXMXKTQC-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1)C(F)(F)F 1839892169 XNGLCMCTSOVVNH-QGZVFWFLSA-N 432.399 0.929 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839956302 MCLGERQNASHIGG-RFWXGWTQSA-N 430.501 0.085 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840042128 CAAOCSGXTBLXJK-YKSBVNFPSA-N 438.480 0.728 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840456311 IEDUBXZTNKQZKS-XMMPIXPASA-N 434.496 0.917 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645592 CJXZXRAIEZHJKH-DYESRHJHSA-N 435.546 0.810 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1840716612 OQWPOAPENZKKTN-UZUQRXQVSA-N 426.517 0.945 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841602617 DLKDQPPOSIARLZ-IRXDYDNUSA-N 442.516 0.864 30 20 ICED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808457 BTWXJQCWVZOQPX-CQSZACIVSA-N 436.472 0.979 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313318 IRENLSWBXUXXSN-CPHRPENTSA-N 434.493 0.788 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1 1844725392 MHIBVFGFTAFIEV-CQSZACIVSA-N 434.518 0.712 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(C)C(=O)C(=O)O)C2)cc1C#N 1845811301 ZZSSTIFHNPDVTK-UHFFFAOYSA-N 442.472 0.705 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 409596642 UIQMUNFUDPSCNV-RDJZCZTQSA-N 444.579 0.960 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 444499491 RHTUDDMUBXJHDN-UHFFFAOYSA-N 436.519 0.766 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 446525345 YPQVRTAVSOSTSQ-UHFFFAOYSA-N 438.492 0.688 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 465221806 FVIVVASRYWWRRI-FPTDNZKUSA-N 448.487 0.823 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)c1C#N 471683366 SVFNQLSAUVFXGE-UHFFFAOYSA-N 440.464 0.656 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 472084240 PHGQVVFGCVZFKT-UHFFFAOYSA-N 445.549 0.882 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCCO2)c1=O 478851161 UIKSUYJJFAYOQW-WBVHZDCISA-N 442.541 0.711 30 20 ICED CC1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 482624323 VCKNQNBIIVHRQE-CQSZACIVSA-N 433.939 0.794 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 486726191 YRKKWLSPFKGTHT-NVXWUHKLSA-N 431.424 0.758 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487521861 WODQQYMNHFKWKQ-QZTJIDSGSA-N 433.534 0.771 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 499722674 YRZBCOOIASOKJJ-INIZCTEOSA-N 449.458 0.616 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(S(C)(=O)=O)c1 499812037 MEFUYXPPJVHZPP-UHFFFAOYSA-N 443.485 0.653 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 501724845 AHUHDLDSRDWYLT-PZJWPPBQSA-N 441.576 0.460 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 501960488 VEDIYGZQJUWWSB-OAHLLOKOSA-N 435.462 0.308 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 514943154 BDVWHSHLKQFRDK-UHFFFAOYSA-N 438.488 0.994 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 516497793 ZKHIMDYWBJBPFL-AWEZNQCLSA-N 435.444 0.852 30 20 ICED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4nn(C(C)(C)C)cc4C#N)CC3)ncnc21 540233629 JHFMVPWTASMIPF-UHFFFAOYSA-N 436.480 0.474 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542086164 RJHMMJAQZNJFSV-UHFFFAOYSA-N 427.484 0.964 30 20 ICED Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)c2ncc(C#N)cc2C)[C@@H](C(=O)N(C)C)C1 551827634 UTHVMSCYLNMKNG-GOSISDBHSA-N 445.483 0.892 30 20 ICED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCCn1cnc(C#N)n1 552673078 QHBVFRZAIVLVJD-UHFFFAOYSA-N 442.505 0.349 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)C2)c(F)c1 554158492 KAXUUHLKBSBJKA-OPAMFIHVSA-N 427.480 0.911 30 20 ICED COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c1 557414791 NDVIXQYCERPCDJ-QGZVFWFLSA-N 448.483 0.532 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 560979578 GFZPZFXLTVTFAX-GDBMZVCRSA-N 442.563 0.355 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 561414591 JILMKQXWOTYPMO-RTBURBONSA-N 436.597 0.870 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 577666179 MIVDCJGHHVHXJS-UHFFFAOYSA-N 432.424 0.862 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCOC[C@H]3CCCO3)C2=O)cc1 583886167 ZRXVSLLIAXXGCH-MOPGFXCFSA-N 428.489 0.477 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585719164 UEOOIXBAHJDYPK-UHFFFAOYSA-N 434.500 0.813 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765556 SJHNZKNVZAIAPY-OALUTQOASA-N 432.484 0.565 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897329 MHXJDOAEYKPOLQ-UHFFFAOYSA-N 425.466 0.615 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1=O 593897973 JNALFWGYQPVZLD-UHFFFAOYSA-N 435.502 0.851 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 603560219 XCICOAWWDJLSFO-GASCZTMLSA-N 441.579 0.920 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 604270171 RCWDIHPELGCUCM-UHFFFAOYSA-N 442.541 0.282 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1CC(N)=O 610003769 MQQGBLPGEJGPAS-UHFFFAOYSA-N 440.525 0.136 30 20 ICED CCn1c(O)nnc1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 611212241 HICJIGDJPABJDT-CYBMUJFWSA-N 432.506 0.948 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)C1=O 685031108 RJQCUDGCXZNVPL-LJQANCHMSA-N 441.532 0.648 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCc3ccc(S(C)(=O)=O)cc32)c1=O 726964195 WFNXVSICFJZVIN-UHFFFAOYSA-N 432.502 0.358 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3c(C)c(C)sc3=O)CC2)o1 734596359 YEQIBIVSDPOSDW-UHFFFAOYSA-N 433.490 0.977 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 747993611 MWDITCYQMQOAOS-UHFFFAOYSA-N 440.500 1.000 30 20 ICED CN1C(=C2C(=N)N(CCNS(=O)(=O)Cc3ccon3)CC2=O)N(C)c2ccccc21 749935374 RPSXERTZSTVOHS-UHFFFAOYSA-N 430.490 0.754 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758059768 TUUWHTKZAJXICS-UHFFFAOYSA-N 435.484 0.895 30 20 ICED C[C@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1=O 761467593 PXGFIMIMRPSPFG-JKSUJKDBSA-N 447.513 0.940 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 766652848 XUDMPCVNLLIMPB-WCQYABFASA-N 441.868 0.798 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCc1ccccc1 767677911 GXPSDVUPQPSRFF-AWEZNQCLSA-N 444.469 0.794 30 20 ICED CC(=NNc1nc(O)c2cnn(C)c2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 769817271 LGNZZNJALZVHBY-UHFFFAOYSA-N 431.478 0.926 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 783350666 OHKHLDGWXXKJGA-GJZGRUSLSA-N 437.518 0.592 30 20 ICED Cn1nnc2c(C(=O)[C@H](C#N)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccnc21 802045020 ILECEFNZTGSADV-INIZCTEOSA-N 434.416 0.943 30 20 ICED C#CCN=c1nc(N2CCO[C@@H](COC(C)C)C2)[nH]c(N2CCO[C@@H](COC(C)C)C2)n1 804622331 BDTKXDOLGMGPCJ-RTBURBONSA-N 448.568 0.599 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 811137497 YHAWMWIDMFIUTG-PXAZEXFGSA-N 439.490 0.361 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 813980367 CFKNLDCHBOIDBL-SFHVURJKSA-N 439.453 0.234 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC 838168592 KYWSFJQHUSKYMO-UHFFFAOYSA-N 429.498 0.357 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)CC1 923869599 RVSFYMKYMPUNFY-BIWSTMPVSA-N 435.506 0.819 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288977847 RWJDQUCGTUFGEY-ZRGWGRIASA-N 435.554 0.641 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[S@](=O)CC 1314393314 FBZUNBPRHUAXKA-INCQDFKNSA-N 432.554 0.960 30 20 ICED COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1504853501 CNLMTSXCLILTHW-HNNXBMFYSA-N 427.575 0.597 30 20 ICED CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547249220 VWFCUAUEJLQZHI-MRXNPFEDSA-N 437.508 0.628 30 20 ICED CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552398663 DEUIWYIJZQPBFZ-IRXDYDNUSA-N 437.570 0.636 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1555985633 SMUHZVCWXURMKA-RHSMWYFYSA-N 428.559 0.671 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903473 PJMFVVKWZQNADP-UHFFFAOYSA-N 439.513 0.180 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCS(=O)(=O)C3CCOCC3)C2=O)cc1 1671576344 IRWFUNZWKGWSSV-GOSISDBHSA-N 434.518 0.947 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCO1 1696964611 MJNDYDICTYVFCC-IBGZPJMESA-N 439.520 0.490 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1706656492 UHJJTECVBSHKJY-QGZVFWFLSA-N 429.506 0.873 30 20 ICED C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1722485736 QSEOVYOPRPVOHR-LBPRGKRZSA-N 436.332 0.356 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCO[C@H]1C 1723925115 KBDNEHDPLBFHSZ-DEYYWGMASA-N 426.543 0.558 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1726638420 FDTICBQNFDDZAF-YCRPNKLZSA-N 426.477 0.547 30 20 ICED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOC1 1729953175 IUVQMQPOTJZSNE-HRAATJIYSA-N 426.477 0.846 30 20 ICED CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1766451265 NINXGEHFCPKROG-XLIONFOSSA-N 431.518 0.982 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cc[nH]n4)n4ccccc34)C2)C1 1778377427 LEPRRWGXVPGNPV-HSZRJFAPSA-N 447.451 0.861 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778384072 UNDRQQGWKCSBOR-YCRPNKLZSA-N 446.508 0.261 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779442453 LOCPMWODSWDUOM-AAADOUPPSA-N 430.505 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1781265208 LLPKXBRMCXDFKJ-FQEVSTJZSA-N 436.440 0.735 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1781960665 WANGYDDIHVFKHW-NRFANRHFSA-N 439.403 0.943 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010572 YTOKJGVXRCJBJG-QVKFZJNVSA-N 425.445 0.253 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782560605 KFDKAAJRPXJKBS-WMZHIEFXSA-N 445.564 0.735 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782720102 IUXFLGLLLSUDRX-JXXFODFXSA-N 430.567 0.508 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782958987 GIQKHPXBTKMAEE-GHTZIAJQSA-N 431.514 0.887 30 20 ICED CC(C)(C)OC(=O)NCCCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557283 DVOCJDMLGOCTER-NRFANRHFSA-N 437.493 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)N(CC)CC)[C@H]2C1 1784624692 UKVRLAUKIUDHJU-IJNTWLFSSA-N 434.581 0.945 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CCC1 1785366694 JOEWNBZINJZNRZ-ZDUIWUOISA-N 426.473 0.976 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786261222 KIEUNTALRTWSQY-LLDVTBCESA-N 446.508 0.021 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788575450 XTQQCXXPUWPVCX-VGWMRTNUSA-N 428.493 0.291 30 20 ICED N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)c1ccccn1 1788657983 KUHNBBAMZJNAOJ-GYCRXIDXSA-N 445.520 0.590 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4cn5c(nc4=O)SCC5)[C@H]3C2)CC1 1789708467 XLLNHJDPJZKJED-BPUTZDHNSA-N 443.529 0.175 30 20 ICED 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441.525 0.295 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)NC(=O)OCC)C2)c(O)n1 1844156424 DCPOEEMEACFTRB-KRWDZBQOSA-N 432.477 0.787 30 20 ICED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283612 AUFHHSNMUZLVPS-UHFFFAOYSA-N 436.549 0.958 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 63225787 ITNYSDCAXAWQOT-ZDUSSCGKSA-N 448.423 0.978 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409597096 UZSGAAXANPHCEX-LLVKDONJSA-N 439.437 0.501 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C2)nc1 428776933 CRNIQZBZFIEARC-IPMKNSEASA-N 448.545 0.601 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 429642280 YVMJKEXFPSYFAZ-MRXNPFEDSA-N 429.502 0.839 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 430394617 PAAPGSZXXCBPSO-XCJLJZCSSA-N 434.581 0.733 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435836009 POKNYLBYSLMMKD-UHFFFAOYSA-N 431.493 0.191 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCN(C)CC2)c1=O 440392687 SAISACRPJMNBKY-UHFFFAOYSA-N 442.541 0.440 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)c1 441957010 TWRKAMAZIZRECW-INIZCTEOSA-N 427.526 0.983 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCSC 443565996 OXLGNYMJZJPPGW-UHFFFAOYSA-N 432.527 0.393 30 20 ICED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 447911997 FVIUHZWBHPACOC-GOSISDBHSA-N 439.472 0.886 30 20 ICED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 448521293 NWNUPTSWDDSKSZ-GOSISDBHSA-N 428.518 0.779 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 461606745 GTOJXZXZHJHCOB-LLVKDONJSA-N 429.458 0.760 30 20 ICED C[C@H]1OCC[C@]12CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CCO2 470941278 URZCUWUTLSFJIR-UTKZUKDTSA-N 448.545 0.271 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cn2)C[C@H](C)O1 474573442 GNZFZRRPUVRGRD-KBPBESRZSA-N 442.451 0.785 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n1 504997604 CJOXCPJBVVOXOL-UHFFFAOYSA-N 426.481 0.971 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(C)cnn2C)c1=O 505663342 NRCSQRHSOPNALR-UHFFFAOYSA-N 428.562 0.029 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCOC2)c1=O 505665322 REWMUIQGXVFTFX-OAHLLOKOSA-N 429.546 0.264 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 509380090 UNNBIPLPVKLNID-UHFFFAOYSA-N 445.497 0.303 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1C 530317974 WTFQXQPHDGMNQY-INIZCTEOSA-N 439.537 0.819 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 530317989 ZQAWUZUYPRINQZ-HNNXBMFYSA-N 441.509 0.293 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n(CCC#N)n1 532597436 ZEEFXUNJMXMAJQ-UHFFFAOYSA-N 444.517 0.718 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n(CCC#N)n1 532601107 TTWAMTCVFJMXRT-UHFFFAOYSA-N 445.505 0.040 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 533265952 HVRPKADBIQTWQJ-UHFFFAOYSA-N 441.556 0.938 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 535136267 AOBSBGMKEQYKJM-UHFFFAOYSA-N 448.495 0.159 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 546039705 MLGHNRYHCPZPDH-HNNXBMFYSA-N 435.554 0.630 30 20 ICED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549266974 JDEUXKRNLQZMRT-UHFFFAOYSA-N 428.493 0.930 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 549656790 RAJPGWUONXASBU-INIZCTEOSA-N 441.602 0.455 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 550376734 JYRVNENARSGVPI-OAQYLSRUSA-N 448.527 0.619 30 20 ICED CN(C)S(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 565676734 BXFTXJINNHQQNN-UHFFFAOYSA-N 432.506 1.015 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 573133589 CLDIETXEXHYONV-ZWKOTPCHSA-N 444.488 0.171 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c1 587675001 RVGGAXSJXZUTAB-OAHLLOKOSA-N 444.513 0.977 30 20 ICED C[C@@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cccn1 603937730 WDAYGJFQCWTSBA-INIZCTEOSA-N 444.517 0.307 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 604270464 QFUGDJRXUKGDRK-UHFFFAOYSA-N 430.505 0.412 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 610134406 FKZNQLZWQJJXDA-SFHVURJKSA-N 441.575 0.767 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sccc2Cl)c1=O 618639165 BZSNJAIWCSTVJK-UHFFFAOYSA-N 436.946 0.495 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 728589980 PNTIZNSXRUMIGP-UHFFFAOYSA-N 436.278 0.783 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 729232357 DKJNXEBEUNPXEU-UHFFFAOYSA-N 427.553 0.550 30 20 ICED Cc1cc(=O)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccccc1[N+](=O)[O-] 731889590 PMRMKDKPBPOCOP-ZPHPHTNESA-N 438.400 0.705 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795531 LJGFHVJTBLEYCW-UHFFFAOYSA-N 438.513 0.870 30 20 ICED CN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 733098560 XOKFFJFFYVPSOG-RCCKNPSSSA-N 449.489 0.639 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 742607322 JDUBAJWXLWTBCX-UHFFFAOYSA-N 439.534 0.579 30 20 ICED C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(=O)OCC 742615786 ZSUBRTLUJVBNPD-UHFFFAOYSA-N 425.507 0.697 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)c(F)cc1O 746578837 RGZBRSHSQDYJIL-UHFFFAOYSA-N 449.258 0.394 30 20 ICED CSC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749753381 YDYIKOLHDOYPBX-VDVBZYJVSA-N 442.563 0.668 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 766076163 GBAHTYJRFPNDGY-UHFFFAOYSA-N 437.499 0.830 30 20 ICED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c1 766986107 MXQJFRDYPSGTGV-UHFFFAOYSA-N 433.442 0.819 30 20 ICED C#CCN1CCN(C(=O)CN(C2CC2)S(=O)(=O)[C@H]2CCN(Cc3ccccc3)C2)CC1 769561572 AMNMBDIEZOCHBL-QFIPXVFZSA-N 444.601 0.833 30 20 ICED Cc1ccc(OCc2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cs2)cc1 771897857 SXIPTJPQCAKBPC-UHFFFAOYSA-N 449.514 0.740 30 20 ICED C#C[C@H](C)NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 773591745 APOQZPTYNHJSHX-ZDUSSCGKSA-N 442.925 0.963 30 20 ICED Cc1cn2c(n1)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C3/CCCN3C)cc1)CC2 782828230 ACJPYVJSBNNOLU-QJOMJCCJSA-N 444.517 0.985 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 784462425 RFQKLKPAZQJXPF-HAVVHWLPSA-N 449.533 0.567 30 20 ICED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)Nc3cccc(OCC#N)c3)no2)cn1 785320780 KXNCJCPSSHBZRB-MRXNPFEDSA-N 437.416 0.911 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 786368573 SGKYKXNKFRZMCI-KLUNEYRZSA-N 429.454 0.821 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 791345856 SPCVINUFYSBQEJ-KRWDZBQOSA-N 435.912 0.388 30 20 ICED C#CCCN1CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 795917844 OECDCWDFQQYPCS-UHFFFAOYSA-N 427.567 0.968 30 20 ICED Cn1cc(S(=O)(=O)Oc2ccc(C#N)cc2I)c(=O)n(C)c1=O 798470527 FPBWBFXJEVIQBU-UHFFFAOYSA-N 447.210 0.328 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 805983308 FEEVQEMMHFMNMI-HUUCEWRRSA-N 430.486 0.911 30 20 ICED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1Br 806894485 AKQZWZGBYMBCJW-GFCCVEGCSA-N 434.294 0.946 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C#N 809501416 IXJFSNNMGBHSAL-QGZVFWFLSA-N 445.520 0.850 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 895906770 VTKWJADKZTZCKY-LLVKDONJSA-N 431.492 0.326 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917356209 HMYQUTUWGZCYFC-UHFFFAOYSA-N 440.573 0.113 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC 917768024 AWYTWOJOXUEANJ-UHFFFAOYSA-N 447.520 0.818 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 920464269 CHMKPXOJJKOWAN-NRFANRHFSA-N 439.476 0.730 30 20 ICED CCN(C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1251343039 QCXBJQWCMRTYNQ-NVXWUHKLSA-N 433.486 0.490 30 20 ICED CNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1315049256 LUSIXCQEDYLCKJ-MRXNPFEDSA-N 425.497 0.317 30 20 ICED Cc1c(NC(=O)[C@@H](C)SCC(=O)OCC(=O)NCC#N)c(=O)n(-c2ccccc2)n1C 1318361988 DPFQCRLEYPISDI-CQSZACIVSA-N 445.501 0.728 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCNS(C)(=O)=O 1319965175 CRXXDCUVWULLJF-CQSZACIVSA-N 431.536 0.622 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N(C)C 1497055515 FAMWNBWKSJCUOQ-KRWDZBQOSA-N 430.557 0.851 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504520388 ZLEHRPXUMWTJIW-CGTJXYLNSA-N 431.541 0.644 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1615844245 QKHSWVHHXMVTRK-KZNAEPCWSA-N 437.614 0.802 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1630148418 KVAVEBKCAPWOKY-LLVKDONJSA-N 431.312 0.731 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1698309601 QWHZATPMJYPHOM-INIZCTEOSA-N 448.574 0.667 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2CC(F)(F)F)c1 1698485402 YORUDMLZSAGEQN-UHFFFAOYSA-N 446.397 0.714 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1724011266 OUAFDBDQFCBZKT-WOJBJXKFSA-N 430.534 0.944 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1741056684 SXUIIJAKZMXNMS-HXUWFJFHSA-N 434.504 0.710 30 20 ICED CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745787053 COSIGXXEVMZJGM-QGZVFWFLSA-N 428.541 0.493 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019790 UHSRFWBXUMSSQC-SGCYSOCQSA-N 439.520 0.953 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779101945 VJZZIFUANQGBJI-DOXZCSRISA-N 434.449 0.058 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]cnc2-c2cccnc2)C1 1780035670 ZWYVBNRMAMWUAO-OPAMFIHVSA-N 437.456 0.687 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Cn1cncn1)C2 1780738401 AHWAMBPSMQXTKW-JBYIUTFZSA-N 447.536 0.938 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)N1CCN(C)CC1 1781096917 VRFDQHJAMMVZIA-SBUREZEXSA-N 443.523 0.777 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1781268801 XTJJKHLJFPZTJJ-OAQYLSRUSA-N 427.461 0.682 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1781400059 HJDXUWOGIJVVRG-APWZRJJASA-N 444.554 0.043 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781812406 BGOSISSJJQCLIC-OAQYLSRUSA-N 432.477 0.529 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782206682 VVKWRFMUWWVJKX-WWEWDKITSA-N 441.525 0.917 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cncn2)C1 1782530672 DRXQVESKNWVINB-CSODHUTKSA-N 433.509 0.862 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1782629290 JVJCSZRJWMULFN-UBLKFNIESA-N 436.472 0.918 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)c1 1783917346 DFYWXNWKMHXWHP-TUFLPTIASA-N 438.528 0.997 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CCC1=O 1784979607 FTJPEUFNPZNXJP-PPYUBFJKSA-N 449.508 0.103 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1785572584 MXYQYZXVXRSSDM-VFNWGFHPSA-N 431.493 0.770 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786475494 XPLBTIKNSBVYON-FJIDUMEYSA-N 438.569 0.997 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)nn1C 1788603212 IBLFOWBVGWUPAC-RXYBXQHJSA-N 432.525 0.494 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C(F)F)c3=O)[C@H]2C1 1788798703 QWGCGXSFVHYUSY-OTRWWLKZSA-N 437.443 0.875 30 20 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C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836643437 DDNNTEGENWRHEZ-MONBJTKQSA-N 428.485 0.485 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836781743 WRHQFTQBPXNEAV-AOMKIAJQSA-N 445.520 0.299 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1837402390 AWXWGFRKVSQSNQ-QYWGDWMGSA-N 442.509 0.578 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837442085 OJCRHQYDBCSEGX-YQNSVDCASA-N 446.552 0.281 30 20 ICED CC(C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524751 LXJVBPIPXKDYAE-XTSMJKTBSA-N 441.525 0.787 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837674629 HUSZIEADKVPPBQ-HYFFOGBASA-N 439.553 0.321 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)C1 1838907759 MVTIIDMQQGEHNI-OFNKIYASSA-N 426.517 0.970 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037379 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C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839997500 QPTPWSJTAFHENP-HOYKHHGWSA-N 442.512 0.659 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1840042687 IPJNXWOFMKYRSN-JOCHJYFZSA-N 439.424 0.098 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840173093 BLEJGSXTLKZNTQ-IERDGZPVSA-N 441.525 0.559 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840293315 SMUXBLWMLWFWCN-REWPJTCUSA-N 428.533 0.601 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840588973 VXARIXKSZIRKPG-YCBLCKBMSA-N 436.553 0.731 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840818113 KUQLNNHRZYUGEN-HSZRJFAPSA-N 442.516 0.489 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)[C@H]2C1 1846142361 XFUFWGFNPQSDMG-OWCLPIDISA-N 447.488 0.160 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 409543385 LVSQYTYMZZYHLK-LLVKDONJSA-N 440.469 0.746 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1=O 410112589 FYTGHZQIRARUNU-LJQANCHMSA-N 434.562 0.692 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 410116529 CCRGQDKQDMWIIE-OAHLLOKOSA-N 442.563 0.574 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440388131 WKVRDHLUKNEESE-INIZCTEOSA-N 426.498 0.973 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)nc1 444503336 UOLNHNLMFPMTOM-UHFFFAOYSA-N 425.449 0.656 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 466941640 FGBLHVIOKRORGL-UHFFFAOYSA-N 442.501 0.636 30 20 ICED C[C@@H](CCS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474538235 XHKUYMAVYRSVGK-AWEZNQCLSA-N 427.548 0.898 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 476995526 MHIMRRDDWDXWCD-UHFFFAOYSA-N 448.570 0.984 30 20 ICED O=C(NCC#Cc1ccccc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 483060280 PQJSGCUTWCGKSG-WMZOPIPTSA-N 429.454 0.887 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1F 488856733 QVVCXQKIQROITB-UHFFFAOYSA-N 442.450 0.084 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)ccc1F 498301657 QLWCKPPDBYKCSI-UHFFFAOYSA-N 445.476 0.893 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 501752991 PAPGJAMXKYAOFI-UHFFFAOYSA-N 442.457 0.979 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 504733132 KEFZZXUWOHFTLN-AWEZNQCLSA-N 440.909 0.803 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513756812 VNMJEGXXIYFHNC-UHFFFAOYSA-N 448.480 0.752 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1 521553698 DWQRAAKPVCYMNV-JKSUJKDBSA-N 438.550 0.657 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 522283665 CSVHGTAUMVWZQG-UHFFFAOYSA-N 447.513 0.662 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)NCC#N)CC2)c([N+](=O)[O-])c1 533236003 SMZDCRWSLZSUIJ-UHFFFAOYSA-N 438.510 0.387 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 538556963 OWPAPGORNAPETN-UHFFFAOYSA-N 445.339 0.767 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)n2)c(F)c1 541143833 OKIZICUCGNDOMS-OAHLLOKOSA-N 441.467 0.525 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543013024 WIBXBYNCIMKOEJ-AWEZNQCLSA-N 448.480 0.609 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC)c(F)c1 552007609 ULTCACWQWRPAJO-UHFFFAOYSA-N 427.461 0.338 30 20 ICED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 556628268 ZZYNDAKLAJWMKV-CQSZACIVSA-N 442.476 0.876 30 20 ICED Cn1cc(I)c(=O)n(C[C@@H](O)COc2ccc(C#N)cc2)c1=O 559254518 MVEUXFLWTRHZNN-LLVKDONJSA-N 427.198 0.463 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 567960260 ASQRURBXVPNUPR-HNNXBMFYSA-N 434.518 0.523 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 574714702 SQPXDKMTMBORFS-UHFFFAOYSA-N 445.541 0.529 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 576256629 LOTAOTFZUXTEQY-UHFFFAOYSA-N 427.324 0.906 30 20 ICED Cc1ncc(S(=O)(=O)NCC(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 581144955 VTANDWYMTULMET-UHFFFAOYSA-N 448.530 0.730 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2=O)cc1 588866131 BQWGACLBEMTAGB-VQTJNVASSA-N 439.516 0.493 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 589240965 QTNAYDKURLZYBJ-UHFFFAOYSA-N 446.471 0.969 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccc1 603791311 AGCLUTAOVPWCHY-UHFFFAOYSA-N 446.532 0.909 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 608829005 VSFQOXCFYJINCB-UHFFFAOYSA-N 439.522 0.482 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c(Cl)c1 608912144 NTIFAZACNKHOAJ-UHFFFAOYSA-N 434.905 0.085 30 20 ICED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nnc2n1CCCCC2 642281005 ZLJBAZSQPAZIAQ-INIZCTEOSA-N 442.501 0.615 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)s1 684535525 QVGHHFZAQHNSME-AWEZNQCLSA-N 445.566 0.867 30 20 ICED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 727010237 RTBALPKVCQGFRQ-XLIONFOSSA-N 435.502 0.549 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 728532089 YLZJZAFYEAHDQV-QGZVFWFLSA-N 429.496 0.963 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 733148503 BHKXQTRXKLTQOV-IBGZPJMESA-N 427.484 0.188 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742506290 NMOVJAGTZOSNPK-HNNXBMFYSA-N 433.534 0.864 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C#N)s2)c1=O 748790835 OAEKXFYHIURBEF-UHFFFAOYSA-N 440.506 0.902 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(CC)cc3)CC2)CC1 748818810 ZEQBWQSMYDRRNJ-FQEVSTJZSA-N 426.561 0.938 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1OC 749929771 IMMMZGVRRVHHSN-UHFFFAOYSA-N 427.479 0.676 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NS(=O)(=O)c1ccc(C#N)cc1 750311920 GUYNRXOSHMROOI-UHFFFAOYSA-N 437.445 0.241 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCC(=O)N(C)C)C1 752738752 BIJIYIXELYVCHZ-MRXNPFEDSA-N 436.534 0.600 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCOC 761836852 SGNCISNDMVYLEH-UHFFFAOYSA-N 430.530 0.306 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 767628123 PVMLGJWWECIVHH-CHWSQXEVSA-N 444.469 0.894 30 20 ICED COC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 767629533 VMHJDHQZZZUYSP-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc[nH]n1 772176516 QMHKEJPEDZKNKL-FQEVSTJZSA-N 442.432 0.065 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)c1cc[nH]n1 772460212 FGNWHHUBXCXFEY-UHFFFAOYSA-N 434.541 0.711 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 776472865 BBVJQJLFIHHSAM-NZQKXSOJSA-N 438.528 0.641 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(C(=O)OC(C)(C)C)c2)c1=O 777947365 OZGSDGYLAGIVHO-UHFFFAOYSA-N 438.509 0.980 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)c1 783464771 VLYXTTJWUCNLGA-UHFFFAOYSA-N 425.445 0.856 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)cc1 787796810 ARVWSJRUTTWOAR-UHFFFAOYSA-N 436.511 0.925 30 20 ICED Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1=S 794616850 OZHVQEPZUHLVEK-UHFFFAOYSA-N 437.507 0.889 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CSc2n[nH]c3nc(NCC)nc(=NCC)n23)C1=O 799026856 PIEPMMRMTMNSBN-GFCCVEGCSA-N 433.542 0.142 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1=O 799177885 WYMUYYLOFDCQMO-QRYYFKOISA-N 443.529 0.953 30 20 ICED COc1cc(OC)c2c(c1)C(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)S2(=O)=O 808041783 AVSJJYXMLLCWFP-UHFFFAOYSA-N 437.455 0.589 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)ccc1F 914470893 UOCGMVHWNUYTNZ-OAHLLOKOSA-N 440.541 0.963 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCc3cc(S(C)(=O)=O)ccc32)c1=O 917432460 ZGYDCDNXRICPLZ-UHFFFAOYSA-N 432.502 0.358 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1303476918 WPEGUARJYFFFAN-LJQANCHMSA-N 437.570 0.858 30 20 ICED Cn1nncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1314935596 LJHGNXGMIDURPE-GOSISDBHSA-N 430.469 0.967 30 20 ICED COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1315908084 ZKGSXFGMUUEVJU-JXFKEZNVSA-N 431.518 0.839 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453960423 XSBKZBYHJDFVSC-KUHUBIRLSA-N 431.518 0.931 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1504532065 LPOZHAGGRZAIPP-OPAMFIHVSA-N 440.504 0.652 30 20 ICED Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1511565354 LEBJPPNVNALXNW-FZMZJTMJSA-N 425.540 0.625 30 20 ICED CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547157395 QBNYVKJKMYUBLE-GJZGRUSLSA-N 430.538 0.967 30 20 ICED CCN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1547576395 VVKOEVOOAPKYGE-QGZVFWFLSA-N 433.538 0.664 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1588226638 KVRZPJHMPVNUSW-HNNXBMFYSA-N 425.532 0.510 30 20 ICED CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1614407679 MLIASLMGMJJGEF-PMPSAXMXSA-N 442.542 0.155 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 1662427759 ZTCRLCWPWOGEEG-UONOGXRCSA-N 435.321 0.897 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1696588479 LHLADHLBRAMUEQ-UHFFFAOYSA-N 445.549 0.765 30 20 ICED CN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1696589258 WUBSUISXYNDTHZ-OAHLLOKOSA-N 431.884 0.678 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1698301325 UNJPGABXISCCLG-AWEZNQCLSA-N 427.552 0.497 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COc2ccccc21 1706889768 IPBXLLQWOQOVQT-RRFJBIMHSA-N 432.506 0.793 30 20 ICED COC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1712150280 PFCHKTUPUZBRJV-HOTGVXAUSA-N 435.506 0.739 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cc1F 1723956177 QUDZGDXVPLEKLG-RISCZKNCSA-N 426.449 0.944 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778016560 LVJIJIJRUYYFHE-QVKFZJNVSA-N 446.508 0.297 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778742063 NZTSSYIVPYKFJW-NRFANRHFSA-N 427.461 0.682 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779106940 NTPROBWHXXBBNS-NXOUIPOBSA-N 437.493 0.689 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171402 WNHNPIQKANMMBN-NRFANRHFSA-N 449.529 0.374 30 20 ICED O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782565851 MXKWJUPRZFYTJF-ZAUGKFGOSA-N 448.524 0.711 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783556852 WTEWZAKCNIEMGD-NQIIRXRSSA-N 429.429 0.002 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1784531107 BOUDIUKQYVECRC-MGBSGCIJSA-N 435.550 0.174 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1785571472 BTTHJXUONMAKCC-KSFYIVLOSA-N 443.504 0.837 30 20 ICED C[C@@H]1[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1785743800 PQYVOSDIRWMBQS-VVBPWWLESA-N 449.504 0.550 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1786642595 WXPBCOJBISFRPA-YYWHXJBOSA-N 445.516 0.752 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807474 GZVIILMADDIRGH-ACRUOGEOSA-N 430.593 0.940 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1789958785 UZRRRFMGUWWWDO-VGWMRTNUSA-N 435.481 0.342 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1790831623 CLXBNFSZMMEVNK-MKFRZFLASA-N 431.537 0.649 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1ccccn1)C2 1792490148 MGVFZDOGKOOTIX-HUSXULAJSA-N 427.505 0.330 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)cc1 1792558054 JMHGWKXEDZTKJO-RMFSNUHRSA-N 433.468 0.724 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1793533657 IRNZOQYUQKEVDA-ZJPYXAASSA-N 439.578 0.651 30 20 ICED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)CC1 1795845472 ISJPPDDQEGWALX-BJWYYQGGSA-N 436.516 0.963 30 20 ICED C=CCO[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 1796298668 AURFLEQGVCZFPZ-UHDSXZAQSA-N 441.525 0.053 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797839494 LGNPZKWUPOWQPA-MVXNGYAJSA-N 425.485 0.892 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccccc1 1797876857 NFJAOGCXSAJYEW-XCRACJGTSA-N 440.544 0.366 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 1799055989 APKXXWQGDZCCBT-FSTVOOFJSA-N 438.532 0.490 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1799304168 RPPWMDPZNAMXIB-JLVBRIDZSA-N 446.504 0.638 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1800453309 DEIOBEPVXANFMY-FAQVEIGNSA-N 437.496 0.304 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802041664 CTVZCVYHAAPYAD-TWWGPRNNSA-N 429.492 0.876 30 20 ICED CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810332799 ZVKDDLAQVOSWHU-UGKGYDQZSA-N 426.517 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824489369 RSCBFSABBGXWON-WMLDXEAASA-N 441.492 0.084 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CSC1=S)CC2 1825674468 DCKZOWDEEKSHLJ-QMMMGPOBSA-N 438.512 0.003 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)C1 1829675272 UYQKDHUYFSBVLQ-IBGZPJMESA-N 439.559 0.269 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831197482 ONWDTDVPFABCPH-DEOSSOPVSA-N 441.528 0.801 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1831393727 OBUSCZPPATZUFG-ZHRRBRCNSA-N 431.489 0.662 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831409021 HEODHXFXPOVJSX-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831411266 LRWBAQFQMUDAII-OAQYLSRUSA-N 448.476 0.228 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1831414506 XIAXKJDAKQNKHA-JOCHJYFZSA-N 433.505 0.769 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831433676 XVFNXYURZHIVAM-ZHRRBRCNSA-N 449.504 0.760 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1832462553 NKWIVDLDJDFLQK-HRAATJIYSA-N 434.562 0.890 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833473441 LHKIFICSOXYJQE-OAHLLOKOSA-N 445.520 0.951 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(S(C)(=O)=O)cn4)CCO3)C2)C1 1833597157 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1838835637 RRUGIIPRGVTHFC-GOSISDBHSA-N 428.436 0.710 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1839174894 CAINTHHALJNJOF-JOCHJYFZSA-N 447.488 0.670 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839176378 LXKVCFJGXHIEPN-QLDGJZPUSA-N 436.505 0.520 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n4ccnc4n3)CCO2)C1 1839546741 HOPJJSKLVCDKSW-HTAPYJJXSA-N 443.504 0.699 30 20 ICED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2ccccc21 1840042080 YWPCSOLSSRQNAA-QFIPXVFZSA-N 440.456 0.214 30 20 ICED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044644 PJHOEYVYJCXVAC-OPAMFIHVSA-N 432.448 0.549 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2)C1 1840157665 XBBLWGYRKXFVKQ-SXGZJXTBSA-N 445.582 0.922 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840163242 QIAQIWDBTXRQIL-KPZWWZAWSA-N 425.463 0.689 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358978 CZNPINLOCLNTAO-NRFANRHFSA-N 442.451 0.449 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840853302 GZRSQRBITKEOEM-FGSXEWAUSA-N 439.553 0.321 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840860535 LZXHNGJPSLFSAU-LRJKKDHCSA-N 437.562 0.444 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)NCC(C)C)C1 1843434488 VODGKESTKBDQCQ-INIZCTEOSA-N 434.537 0.879 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 29290161 NVCYETVUFBZQNA-UHFFFAOYSA-N 427.490 0.675 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 409575818 TVTXVLRFWKNPBB-UHFFFAOYSA-N 429.587 0.407 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410156463 YKHVIIXDQDQQQN-APWZRJJASA-N 447.561 0.704 30 20 ICED N#Cc1ccc(O[C@@H]2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nc1 427464845 YHGWLPGVGQQQGT-NVXWUHKLSA-N 441.469 0.386 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2n[nH]c(C)c2C#N)CC1 431684490 FWVKIUBWPWKRCO-UHFFFAOYSA-N 431.474 1.416 30 20 ICED N#Cc1ccc(OC[C@@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439290602 ZMONHVLYFVDBQD-HNNXBMFYSA-N 436.456 0.749 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441947154 AKWXIAQVCBCUCG-HZPDHXFCSA-N 445.566 0.806 30 20 ICED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 442240753 XNZBJLHSCHMJOL-UHFFFAOYSA-N 446.485 0.951 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 442480611 PAFJVVSVSAHUSC-INIZCTEOSA-N 439.476 0.978 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 461728864 QKSAXHGLEUVNCR-UHFFFAOYSA-N 428.478 0.796 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCc3cn4c(n3)SCC4)n2)c(F)c1 468049819 ALMJBPTXQDCBET-UHFFFAOYSA-N 425.449 1.483 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472112864 MOEHUVVIWJFQJH-CQSZACIVSA-N 439.494 0.314 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 473934779 ZOEHTSYXQSQUJW-UHFFFAOYSA-N 425.405 0.171 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C(C)C)c(=O)n2CC)CC1 478844946 MEPLXYDWJPWVON-UHFFFAOYSA-N 428.562 0.374 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 479462500 FVQFRPUEPKLMOP-ZDUSSCGKSA-N 433.490 0.206 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C 480473078 RLSNBCFVPJPLSB-UHFFFAOYSA-N 435.531 0.681 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2C)CC1 480491452 CZIWGIHFCGGYRJ-UHFFFAOYSA-N 436.940 0.980 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1Cc1ccon1 480966878 ZCNLIMBVSOIGNK-UHFFFAOYSA-N 426.454 0.491 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)CC)CC2)c(C#N)cn1CCOC 481373885 NLVQRZBQCNHEAA-UHFFFAOYSA-N 441.510 0.682 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N[C@@]2(C#N)CC2(C)C)c(O)nc1=O 484916037 CZJRNVVCCCYGAC-HXUWFJFHSA-N 434.497 0.509 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 485972983 FGOVYAIHENLKDA-ZDUSSCGKSA-N 436.515 0.531 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 486708401 FVLOGTFLFCVTMD-WBVHZDCISA-N 431.424 0.758 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 488278117 IMLGPVVVXQIJIF-RTBURBONSA-N 425.489 0.692 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1 494984033 KHABHYTXYIPAHH-UHFFFAOYSA-N 438.469 0.777 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2=O)cc1 504715039 HOKDCUUMOZLFAV-KRWDZBQOSA-N 447.455 0.733 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2Cc2cccc(Br)c2)n1 508322306 OTAXREACFGOHFU-UHFFFAOYSA-N 443.265 0.912 30 20 ICED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 509000748 KJODUJKMPZSHBY-KRWDZBQOSA-N 442.524 0.505 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 525702290 NBZVJKYWJADCQP-UHFFFAOYSA-N 431.268 0.327 30 20 ICED C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 533061386 WMUSVNBCLDHLFO-JCURWCKSSA-N 426.926 0.626 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)cn1CCOC 539638003 LVKKXHGECNJEGG-WRFANHODSA-N 440.456 0.928 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@H](C)O1 541877673 VNPZINACSDCJKR-KBPBESRZSA-N 443.512 0.792 30 20 ICED Cn1cc([C@@H]2CN(S(=O)(=O)CCCC#N)CCN2S(=O)(=O)CCCC#N)cn1 544114633 QIKPAHDXSUAWFQ-INIZCTEOSA-N 428.540 0.346 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 551834257 PJAFGBHZFLTHIK-UHFFFAOYSA-N 437.504 0.108 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)c1 555917215 CIKHUWLSAQAIMN-UHFFFAOYSA-N 436.472 0.616 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 556205637 GIPSUFLGBZUFNZ-VQTJNVASSA-N 433.597 0.566 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 564752917 RUVHYEPZIMPVCY-GOSISDBHSA-N 433.472 0.309 30 20 ICED Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 565267860 WFPMPFYFNJEPJI-IBGZPJMESA-N 447.499 0.617 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1=O 570915876 APSSVKDOTWMNBR-UHFFFAOYSA-N 427.895 0.363 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 572805031 CXZCMELURILCLS-LJQANCHMSA-N 426.498 0.843 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 577778823 WNCUXRGVOFZMMV-HNNXBMFYSA-N 426.454 0.944 30 20 ICED Cc1noc([C@@H]2CC[C@H](CNC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)O2)n1 577814650 NSIHMISJGFVJIP-WBMJQRKESA-N 439.407 1.550 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1 584010891 PSOCBCBSQNHVGJ-UHFFFAOYSA-N 444.532 0.298 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H](C)N1CCOCC1 588062487 ZVYARSPGQBAWRL-HUUCEWRRSA-N 430.509 0.298 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(C)c2)c1=O 603795406 OFEDAHGUZHYNSG-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2O1 604148029 KVDUYBLZVLQFMS-NRFANRHFSA-N 447.495 0.743 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCc1cccnc1 609038569 RRHXXIISJOXNPF-UHFFFAOYSA-N 435.465 0.705 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)nc1 609931142 DZUWHKMRHCRFIA-UHFFFAOYSA-N 438.492 0.799 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC3CC(NS(C)(=O)=O)C3)c(C#N)c2N)cc1 619825997 RDMHRJITISLVCK-UHFFFAOYSA-N 445.549 0.947 30 20 ICED CCn1c(=O)nc(O)c2c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc(C(C)C)nc21 731887544 NNQMNTFCTIXILN-SILNSSARSA-N 440.460 0.897 30 20 ICED N#CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 731970141 CPFSLDDYELIQEU-UHFFFAOYSA-N 443.529 0.795 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(C)C 732561088 GKQJCQISEKYDGX-UHFFFAOYSA-N 431.562 0.828 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 733148864 LHPXLMCAZBOYOJ-IBGZPJMESA-N 427.484 0.188 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c1=O 741733735 LRSSRGIXAZPFGY-MRXNPFEDSA-N 432.433 0.385 30 20 ICED C=CCN(CC=C)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748822386 BPPQLNXBEKVIOM-UHFFFAOYSA-N 442.582 0.754 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755618520 LTGSKSCBYYSOHU-OAHLLOKOSA-N 446.554 0.669 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756451198 GAEKVMKMFLAKLJ-ZDUSSCGKSA-N 426.520 0.906 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1 757587283 JWPBSQZXXPMSHE-OCCSQVGLSA-N 425.511 0.764 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 760401158 TVVJPIINBNSUBE-ZDUSSCGKSA-N 444.535 0.072 30 20 ICED C[C@@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1=O 761467589 PXGFIMIMRPSPFG-HZPDHXFCSA-N 447.513 0.940 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 765643132 FHCKEKOVZVOYJN-LBPRGKRZSA-N 425.492 0.105 30 20 ICED C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 767537270 IUSVFSVCTYWCAO-UHFFFAOYSA-N 441.481 0.284 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C[C@@H]2COC(=O)C2)CC1 767602667 SCVXLARDBOXVJY-CYBMUJFWSA-N 428.401 0.951 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(=O)(=O)c1ccccc1 767678942 ZMYOVZCILAMSQC-CQSZACIVSA-N 437.499 0.747 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 767963557 KSGQEQCKFOAPKM-GOSISDBHSA-N 436.553 0.686 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCn2nnc3c(cnn3-c3ccccc3)c2=O)cc1 781241306 SLRYNKKEOFOGOB-UHFFFAOYSA-N 429.396 0.780 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)cc1 785839813 SLYLLFQPLHOAKR-SILNSSARSA-N 443.551 0.784 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)cn1C 793506725 XSKVCPABIHZWHV-UHFFFAOYSA-N 430.534 0.605 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)c1 803861691 DENSIIZGXGNKKX-UHFFFAOYSA-N 446.485 0.962 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCCO1 809309920 PSBCWFWNABPQTF-NEPJUHHUSA-N 431.440 0.893 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 810785180 ZNWHWLRINZWLKX-UHFFFAOYSA-N 442.515 0.328 30 20 ICED NS(=O)(=O)c1ccc2c(c1)C(=NNC(=S)NCCCN1CCOCC1)CCC2 811631516 BNJZEMBSOIQHDX-UHFFFAOYSA-N 425.580 0.561 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n(CCO)n1 821571197 DUTZHFIWGKXVEU-KQWNVCNZSA-N 448.505 0.574 30 20 ICED C/N=C(/NCCN1CCOCC1)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 849057522 MEHBSRPVBODARM-IBGZPJMESA-N 435.569 0.574 30 20 ICED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 920186974 AYFQVODSTARIBF-UHFFFAOYSA-N 435.488 0.508 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)CC2)cc1 1229664590 YCLFUPYINYYAHQ-FUHWJXTLSA-N 431.518 0.728 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@](O)(CC#N)C3)c(Br)cc21 1463961273 GYRCWVQLYZCODF-HNNXBMFYSA-N 429.296 0.679 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1503438040 RNZGYOIPDSOSMK-GOSISDBHSA-N 426.477 0.527 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1505141068 YSEJQBULFPNKAG-FQEVSTJZSA-N 446.533 0.486 30 20 ICED COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1519113636 XMRCYEJKLVTJJA-YJBOKZPZSA-N 428.534 0.590 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541113553 XXWMPTIJNDIHLN-ZACQAIPSSA-N 430.557 0.768 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC(=O)NC 1593885876 OJFTXGJQAXZQPT-CYBMUJFWSA-N 434.950 0.326 30 20 ICED COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1619912745 KSIQZTCVTMWJBS-LJQANCHMSA-N 434.522 0.180 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1619912868 OAYQORFAWOLVPZ-JKSUJKDBSA-N 442.542 0.156 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1706625942 YXZOLFSMZXERDV-UZLBHIALSA-N 449.581 0.353 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1710157291 ZLOLOHUTLOPJIX-DLBZAZTESA-N 441.602 0.937 30 20 ICED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1710278542 WXPLBOFNTYTXHR-HRAATJIYSA-N 444.561 0.897 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711386563 OORAUZRBSMDSNE-UHFFFAOYSA-N 431.522 0.425 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSC(F)(F)F 1741944489 MVXHFCPQUMCZSL-UWVGGRQHSA-N 428.462 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887149 SSFBKIYIJQLTNV-WAIKUNEKSA-N 438.484 0.415 30 20 ICED O=C(CCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1CCCC1 1779134489 IBTHSBIQRZSOSM-ZZAWEDPDSA-N 430.505 0.931 30 20 ICED COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779417839 LNNDKJQKEGYVKT-IWHDTAQISA-N 427.498 0.648 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781760952 VNKYLTZELQJDQU-QFIPXVFZSA-N 429.473 0.738 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781786868 COXHWJUFQZQLOE-VAYIWLARSA-N 438.525 0.554 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782720104 IUXFLGLLLSUDRX-RZQQEMMASA-N 430.567 0.508 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1784483795 MIVLYJUIXLUYMD-VERUCKTNSA-N 441.484 0.649 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785420051 UWOFMTOEMTVZOF-FSPMIEBCSA-N 449.504 0.764 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1785571126 AKIJHJBVOJUGGE-STSQHVNTSA-N 448.564 0.827 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612487 DJSOIQUKQKUWFG-VGSWGCGISA-N 437.537 0.894 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)cc(C(F)(F)F)c1 1787426855 NHXJOZZZXVEPNI-STECZYCISA-N 439.438 0.456 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788310793 FBRORFTVMHUMLX-LAQRGFTBSA-N 427.505 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1792566171 VQHMUPCEONBSFA-GSBMDQOXSA-N 440.504 0.092 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836604 NSWSEXRKXIIAON-WGVRVLLMSA-N 429.904 0.972 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)Cc2ccccc2C1=O 1793200614 XFQBANUEJASBAC-BJWYYQGGSA-N 437.452 0.328 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1793346217 DMDGWIWHOLKPOY-LJGDNWOOSA-N 444.513 0.367 30 20 ICED 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@@H](C)S)C2 1793602356 XTLXYKAUGCOXFK-FGZZBPHYSA-N 445.582 0.823 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(N(C)C)c1 1793856797 VFISFPZMRWBXJT-AYMMHLMVSA-N 429.517 0.759 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)ccc1F 1795775109 ZWBCQXRCHPDYGJ-FEJSZKPUSA-N 438.459 0.691 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1n[nH]c2c1CCCC2 1796165002 YGXDINFCHPILBM-KXJCPHRKSA-N 428.537 0.963 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549733 PVUFQBIRGKWDAZ-NBMJBFSESA-N 427.501 0.706 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1802838974 KYGLYWJUZYOCAV-QXCFHYIPSA-N 443.552 0.377 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1803905046 QLBBTDWQKHRWJQ-IXDOHACOSA-N 448.520 0.868 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1804350424 YMGMTQOKVADMFT-UMVBOHGHSA-N 439.394 0.804 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812389247 YBEBNIKTYCSTEN-UWWQBHOKSA-N 432.477 0.222 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819950008 ZFRQDHMHQYTXLF-VCUFAERDSA-N 444.473 0.365 30 20 ICED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)C(=O)C(=O)O 1821716155 YJLCCFOOMCEUCZ-CQSZACIVSA-N 427.421 0.458 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823116660 HVUASAHWQKZYAQ-NSJHELBRSA-N 433.494 0.876 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899653 AUTSMTPZBBJDGT-IRXDYDNUSA-N 434.537 0.731 30 20 ICED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1)C(=O)C(=O)O 1828916223 LWPXGIBVMCMQTH-FSTGKYBXSA-N 449.552 0.621 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)cn1 1829629791 GNIWWRPLQIZUQA-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)CCO2 1829696555 FHGPEVLYXRZGQT-QHCPKHFHSA-N 426.517 0.142 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1831401706 FNETVVMFMYQBIA-AVRDEDQJSA-N 438.521 0.605 30 20 ICED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1833450683 ABHIFTIGPDLNKQ-GOSISDBHSA-N 433.640 0.947 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833488870 OTRRWMRQWFEMCZ-SFHVURJKSA-N 439.582 0.064 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnsn4)CCO3)C2)c1 1833534205 NGERKCHPBGCQIL-LJQANCHMSA-N 431.449 0.933 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833874785 YHSXILFPBYDCRS-IIBYNOLFSA-N 434.493 0.256 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835247465 QWYJEJABBJMJMG-QFIPXVFZSA-N 447.488 0.056 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835290612 WWULBPJAWWPZIU-VHZQKOCRSA-N 441.484 0.889 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4COc5ccccc5O4)C3)C2)CC1 1835341083 OOHNOQHXHQIHRM-PGRDOPGGSA-N 427.457 0.587 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1836072387 BSGAXZLBBFMDIH-NRFANRHFSA-N 443.435 0.702 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124740 OOURFZJGLCSTOS-HXUWFJFHSA-N 437.518 0.385 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)n1cnnn1 1836170898 VUBUGLLVIDGQAP-AWEZNQCLSA-N 425.497 0.319 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836868130 HYUSZZMOPRCYKW-VGOFRKELSA-N 439.553 0.227 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)c1 1836971402 SXGDEXNGBDXJFU-NRFANRHFSA-N 440.460 0.249 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)CCO3)C2)CC1 1837293339 VESWGJJRFHHHHK-UGKGYDQZSA-N 440.456 0.481 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1837488745 PBPDVYNWEYHPHM-HSZRJFAPSA-N 443.500 0.089 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837627202 VVVUXVJSMXHQCI-DEOSSOPVSA-N 448.479 0.528 30 20 ICED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)c(=O)nc1O 1837796477 PMVVVVXFZFGLOQ-UHFFFAOYSA-N 431.493 0.560 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837816696 UCTQCHNFDKVOSN-OAQYLSRUSA-N 431.493 0.139 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1838579582 RPZUOVDPZGDQFN-OAQYLSRUSA-N 440.460 0.079 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838823676 BCQDXKVIRFWFGU-UHFFFAOYSA-N 443.504 0.604 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1839361014 LRWXBKPALRMGHX-AUSIDOKSSA-N 440.500 0.349 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c(Cl)c1 1839423657 PUIUWRVFBJRESW-LAUBAEHRSA-N 446.891 0.560 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839641340 FNUZEIWJHOAJLZ-CVDCTZTESA-N 435.565 0.482 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1839762109 WPRJVJBTFVHLSU-UZLBHIALSA-N 439.509 0.587 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(F)cccc3Cl)C2)C1 1840040420 ZQADLMQNUULLEF-FQEVSTJZSA-N 438.839 0.566 30 20 ICED COc1cc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1840043637 LNYGMDPCMFUPFP-QFIPXVFZSA-N 446.456 0.170 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1O 1840163971 URKSAHAKWWCXBW-ZUOKHONESA-N 437.518 0.739 30 20 ICED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837005 PMVJGUIEQGNGSE-UHFFFAOYSA-N 427.567 0.844 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c(=O)n2C 107567303 LIJWDMJPMOQSNH-UHFFFAOYSA-N 436.350 0.885 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C1 409569686 IHLWNWHKNMFKSD-RDJZCZTQSA-N 442.563 0.666 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNC(=O)c1ccc(Br)cc1 409592893 AEIOHOBKTGXCCZ-UHFFFAOYSA-N 433.328 0.875 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)CC1 434606742 MLBCWHZBDAVPND-UHFFFAOYSA-N 441.536 1.442 30 20 ICED C[C@@H](CN1CCOCC1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434701897 INJDODGEJIFUIM-SFHVURJKSA-N 449.577 0.044 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 446529986 GDTMQISYGFYGQF-UHFFFAOYSA-N 438.492 0.553 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 448282998 JUWZEAGSOVPGKE-OXJNMPFZSA-N 442.541 0.760 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 478740598 UNEZAYXXCUGUNT-CHWSQXEVSA-N 436.515 0.750 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 478740601 UNEZAYXXCUGUNT-STQMWFEESA-N 436.515 0.750 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 478862952 XUJIERJWJPPTNQ-LSDHHAIUSA-N 439.493 0.910 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 480930636 OIKJMYZJRLWMSB-UHFFFAOYSA-N 433.555 0.998 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488253385 VMJRPKJAXRVLIP-MSOLQXFVSA-N 433.534 0.772 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2=O)cc1 488652721 ZASKPDVPBSCNPC-SFHVURJKSA-N 429.440 0.995 30 20 ICED N#Cc1ccc(C2=CCN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 504760272 PKZIDWJPCLBNGE-UHFFFAOYSA-N 448.483 0.868 30 20 ICED CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc2O1 508329613 YVAROUDTPHLRLA-QGZVFWFLSA-N 439.476 0.365 30 20 ICED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)NCC#N)cc2)C1 511057491 LKEUWXSQEOLFDW-OKILXGFUSA-N 428.536 0.271 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 511926369 PORXWIQMSXVTAN-UHFFFAOYSA-N 428.499 0.972 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 512371348 HAPXIDKZXXSKDS-IAGOWNOFSA-N 431.518 0.728 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)C1=O 523413204 OMUPSGFBNSHLQY-AWEZNQCLSA-N 428.445 0.487 30 20 ICED CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 541360594 ISGRAXHCCSROCC-UHFFFAOYSA-N 432.477 0.666 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 552518674 FRWLJPUEZPCLMK-LJQANCHMSA-N 432.484 0.519 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 562053991 JDYFBJQRHHTWMY-UHFFFAOYSA-N 435.550 0.239 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 571783505 FZXBCWFTNKESRT-CALCHBBNSA-N 438.550 0.917 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 578029643 KIZIBWSSJTVPKT-GOSISDBHSA-N 446.533 0.989 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 588812577 RQXGPQKEUXZYCP-FXAWDEMLSA-N 441.532 0.787 30 20 ICED COC(=O)C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 589073656 BJGACIVSWPZEHD-QGZVFWFLSA-N 435.502 0.749 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 598929981 RAPVIERJSDBMSK-LJQANCHMSA-N 443.548 0.807 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(O)n3C[C@@H]3CCCO3)CC2)o1 603568166 SDTYHYWRUKSNJT-ZDUSSCGKSA-N 433.494 0.772 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038304 LUXYLXMDBAVCCT-MRXNPFEDSA-N 449.536 0.597 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610798974 YTPITCLBOFCKSV-CQSZACIVSA-N 442.563 0.593 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 617023120 IZXJLUXNYFYZKV-LEWJYISDSA-N 440.548 0.365 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC2CCCC2)C1=O 726399169 CBLQYXWNGSFJPD-HNNXBMFYSA-N 431.518 0.912 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cnn(C)c3)c2=O)c1 726581106 LGIYEEZERKTJNQ-UHFFFAOYSA-N 447.520 0.270 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734035585 IYZYFEJFHPGUHV-KGLIPLIRSA-N 436.490 0.238 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 735201283 XCYJQPKNISOIDB-UHFFFAOYSA-N 446.441 0.640 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn(C)c(=O)cc2C1 744622591 DTLFERDVKVUKFY-KRWDZBQOSA-N 443.529 0.818 30 20 ICED CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)n(C)c1 749380808 YHKNNIPASSZJBC-UHFFFAOYSA-N 425.555 0.744 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)CC1 750002661 JUNLAXMXKSWIFO-QGZVFWFLSA-N 434.566 0.163 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1C#N 752386287 AYAAFQYXMZNLMD-AWEZNQCLSA-N 437.478 0.605 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)C2=O)cc1 753993142 DUNFEQLWESFQLN-GOSISDBHSA-N 429.440 0.995 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)c(C)c2)c1=O 758060495 DIEZMINFZRSKRC-UHFFFAOYSA-N 438.528 0.658 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cnccn1 758557969 LEBBEBIZDMSADU-ZDUSSCGKSA-N 437.503 0.579 30 20 ICED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)s1 758589720 VYKVNXPYQIRJKD-UHFFFAOYSA-N 445.570 0.537 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCn1cnc2c(N)ncnc21 767681993 UWMSULXZKCUFAK-GFCCVEGCSA-N 429.462 0.580 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 767892130 UKVGUTNFAKDEIN-UHFFFAOYSA-N 441.557 0.999 30 20 ICED COCCCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 770854188 YCYNEDRIWMEIAJ-SILNSSARSA-N 446.551 0.394 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCCO1 773798268 PEIINQVIAAVLTK-QXGSTGNESA-N 449.529 0.720 30 20 ICED C#CCN1CCN(C(=O)CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CC1 775673484 OFUMYQMSCSXEIE-UHFFFAOYSA-N 425.493 0.761 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 787347896 YDUSZAXKCLARIC-UHFFFAOYSA-N 429.477 0.370 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n2)CC1 787542837 CRLLONOUHODWOP-GDBMZVCRSA-N 445.524 0.964 30 20 ICED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789811480 OSLSZEGDUOZRQU-RLJBYJPOSA-N 438.506 0.094 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccsc3)c2=O)c[nH]1 790437478 IDPQEQUOZMAFKH-UHFFFAOYSA-N 440.506 0.857 30 20 ICED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 792447090 PXFIBIOANTVVDJ-HNNXBMFYSA-N 436.534 0.630 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C 796990316 BEJIFDBVBDLZPA-JSGCOSHPSA-N 434.453 0.178 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 803747009 NVVFXHQTBRHQHC-HXUWFJFHSA-N 443.548 0.179 30 20 ICED Cc1cc(C#N)nc(NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)n1 804590283 SEBYODAELRSCCE-UHFFFAOYSA-N 425.492 0.873 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 808223167 REUUHSFERMGPFG-FQEVSTJZSA-N 446.511 0.909 30 20 ICED CNC(=O)c1cc(O[C@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 808234089 RGRKTPPSKPXHSC-APFMSCDFSA-N 427.461 0.728 30 20 ICED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916873163 PWSVXJHAZKHCAY-INIZCTEOSA-N 440.522 0.300 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 920245091 MGGPVMADFRANSO-HNNXBMFYSA-N 436.515 0.715 30 20 ICED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)OCC(=O)NCCC#N 920686795 SCBPDVSHPDFFQB-UHFFFAOYSA-N 433.490 0.642 30 20 ICED C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286633128 UDGDPNZPEGVELE-UHFFFAOYSA-N 428.888 0.352 30 20 ICED Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1304845953 LGFFIOBZVACZRV-FQEVSTJZSA-N 430.534 0.725 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ncccc2C(F)(F)F)c1=O 1319628589 JQPZZNNTLWGOLF-UHFFFAOYSA-N 440.447 0.998 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(CC#N)CC2)(S(C)(=O)=O)CC1 1329463975 UVIPTTALDSXMRP-UHFFFAOYSA-N 428.555 0.905 30 20 ICED CC(C)(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359494423 YDPYKGNRCYGWGL-KRWDZBQOSA-N 442.568 0.739 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1517588999 JBDPIBAORBYMDU-UHFFFAOYSA-N 438.536 0.599 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)NC 1545894608 ZYWSOILMZZSTGN-GOSISDBHSA-N 425.559 0.876 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1554505561 XEYVOGYMPKCCCL-SJORKVTESA-N 443.533 0.613 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1555557052 QTJIFTLXURGRCN-FQEVSTJZSA-N 449.533 0.870 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1611711827 UGZIOWMHMRZCKW-CVEARBPZSA-N 439.586 0.739 30 20 ICED CCc1nn(C)c(CC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1613895597 WNZCFOUBQDMLIE-LSDHHAIUSA-N 447.565 0.816 30 20 ICED N#CCc1ccccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1661193817 LAMAVTFTLTUHAY-GOSISDBHSA-N 441.575 0.653 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1698059196 UHHFJUGDPWBPFF-FOIQADDNSA-N 429.481 0.832 30 20 ICED CS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712713191 XHFTVOYRNMBILO-KRWDZBQOSA-N 447.540 0.734 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)CC1 1741989869 XPWYQVJXRGNLCW-UHFFFAOYSA-N 427.513 0.705 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1747421568 WXENQZFTSNBUHW-MRXNPFEDSA-N 429.506 0.465 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1748282709 OJZZMVMXTFENQM-UHFFFAOYSA-N 446.537 0.170 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1750383446 VOABAIJFBSFVKP-RTBURBONSA-N 430.465 0.808 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2ccccc21 1778167923 OFXRWJZPKIBHNE-QHCPKHFHSA-N 437.500 0.864 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1778974932 UMKRCHKRPNEMHE-CEXJFXJFSA-N 444.532 0.603 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1779270488 BFCRBPYCBKJTPN-MBOZVWFJSA-N 443.481 0.994 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962158 YQDKMPBKLDZDTM-NRFANRHFSA-N 427.461 0.682 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781049840 VFPXXQRRSIOJPE-DZDCQFRTSA-N 431.555 0.662 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294669 NWIKRZVVEXNAJW-DENIHFKCSA-N 430.480 0.984 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782421252 QKKZJRLSTVKFEV-QKKBWIMNSA-N 444.513 0.608 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1)C(F)(F)F 1783205667 ZQOFENLNVYGEJR-MRXNPFEDSA-N 439.456 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cccc3C=O)C[C@@H]21 1783531001 CKVFIOUWSRXRNJ-NIWGMWRLSA-N 442.516 0.700 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1783557104 ASQBHBHHQATNFU-OAQYLSRUSA-N 425.441 0.323 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1783563613 VIKQHXWQKGZSGB-JOCHJYFZSA-N 436.424 0.381 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]3C2)c1 1783674979 SRNGUZLINXADCB-SNRMKQJTSA-N 443.504 0.431 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784346312 VSVDQLBKJIJRNY-NPIIGJQGSA-N 427.505 0.203 30 20 ICED CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786376385 XQFPSSXLYYUCHP-KKQHZTNYSA-N 437.493 0.614 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c4nncn4c3)[C@H]2C1 1788559779 FQZVWMAOOXSHIG-WHOFXGATSA-N 431.836 0.064 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCCC4=O)C[C@@H]32)c1 1790224553 OZFFDBSUKCKRQN-IEZWGBDMSA-N 428.464 0.913 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1792138467 QGSJFZDIUDSRTA-YTFOTSKYSA-N 433.534 0.462 30 20 ICED CCC(=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 1793249750 MEXNGUQMDWWKPM-FIIQBIKZSA-N 438.488 0.552 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261537 RBFJCXVDWXQLGV-XEMDLRDOSA-N 435.521 0.531 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1793340328 RVLSRBWNQZPRPG-ROPHOZQPSA-N 427.501 0.387 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(Cl)n1 1794193673 BMYWUGXGQYSXIJ-KULPGCBOSA-N 432.908 0.726 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890121 BEASRKXDLHUHIU-KYHPRHEASA-N 448.524 0.337 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325026 DILIMKXDPJRPPE-CWPLJXCYSA-N 427.505 0.413 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797818584 STMVINATYFZCSI-YRWYUPRASA-N 433.509 0.871 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccccc1 1797876503 SHORKYUCCKTNNF-NALHQMNBSA-N 425.529 0.496 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799239724 JDKUROZQHMKXMW-FDFFUELDSA-N 440.500 0.390 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1c(O)cc(O)cc1O 1799658208 CTFLVBZNMXIMMX-AJZYRFLASA-N 449.460 0.536 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773552 HMYWMXVWIZAUOT-VPTLXERWSA-N 428.441 0.083 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2C[C@@H](O)C2)C3)N(C(=O)OC(C)(C)C)C1 1801103946 NKNLZZUNJFYLCR-YCOHNSLCSA-N 449.548 0.913 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCOCC4)n2)C3)CCC1 1801980482 FCXAWCUOPKOZEA-XEMDLRDOSA-N 439.516 0.815 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2nc(C)no2)[C@@H]1c1cccnc1 1802483929 XFZNTTQTPBLYOW-GUEKAFECSA-N 438.488 0.880 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1802685108 LKOMFEVPFUZWTQ-PBHICJAKSA-N 434.460 0.682 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)[C@H]2c2cccnc2)c(=O)nc1O 1803459461 SHDKDULZIHCBDR-GHTZIAJQSA-N 435.484 0.772 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1803547347 JIDWMBJKCZSREB-DDUZABMNSA-N 425.445 0.641 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807047806 MHDFQPLROLYCLD-WMEZAQDKSA-N 432.525 0.481 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1807123867 DUCRROSFMPEDHX-ZHALLVOQSA-N 429.521 0.963 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810356278 ISRIUYDWOVPMLZ-LTMKNADRSA-N 431.493 0.705 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813172815 IHGOXMDKMIXEPX-IERDGZPVSA-N 428.514 0.932 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814713898 TZPMBGIEARDTOF-JSGCOSHPSA-N 435.481 0.629 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c(O)n1 1830593790 NILXRLGQJCHFNM-HSZRJFAPSA-N 443.500 0.955 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166874 SDDBMGIGPNJYCM-NVXWUHKLSA-N 438.525 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1831434888 ICKOKLUSRSPMEL-YOEHRIQHSA-N 431.327 0.961 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C(F)(F)F 1831464509 SBSDCENMAZCJSV-WBMJQRKESA-N 442.456 0.242 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)nc1 1831666017 BNOVBMGMFSECFY-GOSISDBHSA-N 447.513 0.806 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831771178 XRHKFMBEKBLASG-OAQYLSRUSA-N 425.445 0.430 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1833475773 XRPNASJTWQWWIA-IRXDYDNUSA-N 437.585 0.857 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833493035 VHSFIOJYZBARBX-QGZVFWFLSA-N 442.582 0.055 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnccn3)CC2)CC1 1834121795 BLSPGTSWKCOSQU-ARJAWSKDSA-N 426.521 0.520 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nc(CO)[nH]c5c4)C3)C2)CC1 1835342000 NLPVDIRSVPXZFS-QFIPXVFZSA-N 439.472 0.429 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3ccnn3)CC2)CC1 1835717960 TXCQPWRCKKIIQL-QFBILLFUSA-N 432.569 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836010658 QVKBMDWGGTUIBG-QGHLFXPHSA-N 430.505 0.262 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837369940 DKNHBZVQTRNEBC-IBGZPJMESA-N 432.868 0.756 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837396290 ARIBNMDWPXGIQE-XMSQKQJNSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837399315 QMWOXUUHMQXFTF-QRWLVFNGSA-N 438.912 0.773 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526884 HCOHRIWOFBHDNK-DOXZCSRISA-N 427.498 0.133 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnc1 1837559712 CLSCNBXRSDOTGZ-FCKCSMDESA-N 429.477 0.613 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1837664345 MISZAYFTMKPLHL-AVRDEDQJSA-N 439.553 0.586 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4C)C3)C2)c1 1838580556 JIVHFRZGMVTVRS-QFIPXVFZSA-N 439.472 0.684 30 20 ICED Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnn2c1 1838737309 NXPLCHVBOONDQP-QFIPXVFZSA-N 449.471 0.621 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)cc1 1838951217 DHBXHOMFHMCUKR-QHCPKHFHSA-N 446.467 0.985 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c(C#N)c1 1839131516 IVWFKCMOILFMAZ-QFIPXVFZSA-N 439.472 0.603 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)CCO3)C2)CC1 1839273599 SJJLNWQMGIVHPN-HXUWFJFHSA-N 430.417 0.674 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839882674 RUPVSEWECSJZIV-QHCPKHFHSA-N 442.516 0.473 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3OC(F)F)C2)C1 1840044848 AQMVJCUWIRJGCC-FQEVSTJZSA-N 438.383 0.446 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1 1840163544 JXCACCRZRLCIST-IIBYNOLFSA-N 445.545 0.964 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840246200 LSHAZGXYAXWIJU-QAMQQUSPSA-N 430.908 0.839 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840447874 KCVVHAYJOAANGX-JOCHJYFZSA-N 438.488 0.504 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840453798 WAFPJIOWMZDLCK-ZHRRBRCNSA-N 439.472 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)Cc2cn3nc(C)sc3n2)C1 1841785314 CZTIKNHVAOCLQM-WAYWQWQTSA-N 428.518 0.704 30 20 ICED O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303443 AAHNIYHXGYUUDV-SNTNMBAUSA-N 440.547 0.579 30 20 ICED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1846372195 OMDFIHJMTMCWSE-CQSZACIVSA-N 440.566 0.587 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)cc2C1=O 9701687 DOGFRFPAWRMLAX-UHFFFAOYSA-N 443.437 0.912 30 20 ICED COc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 18039207 NMWKDVISHNUFSX-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CC(=O)N(C)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 109197579 HLKKKBVGKWSFMQ-UHFFFAOYSA-N 447.561 0.334 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431985806 HOQZVXRLYFHVHK-UHFFFAOYSA-N 431.474 0.943 30 20 ICED COc1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1S(=O)(=O)N(C)C 438766225 WMGSAHATGPQDQR-UHFFFAOYSA-N 439.538 0.578 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 440373082 PFUMGZLQCFSAJH-CQSZACIVSA-N 429.458 0.964 30 20 ICED CCCc1c(NC(=O)C(=O)NCCCNS(C)(=O)=O)cnn1-c1cccc(C#N)c1 443750759 PUJMBGGHSDATJS-UHFFFAOYSA-N 432.506 0.690 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 444403468 NIGBRFXXVGCXTN-INIZCTEOSA-N 445.524 0.873 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1-c1cccc(F)c1 446526458 KRXABFPEFSTENG-UHFFFAOYSA-N 428.468 1.333 30 20 ICED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)S1(=O)=O 461355733 SZFZFZLUMGFWHD-GJZGRUSLSA-N 439.559 0.993 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 462941126 IQMNERPGKWPBEO-UHFFFAOYSA-N 447.430 1.400 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4nccnc4C#N)C[C@@H]3C)CC2)o1 464861600 UVKXIMOXEJJKQC-HNNXBMFYSA-N 435.492 0.376 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 477480624 WBQCHOLILWJOHN-INIZCTEOSA-N 428.536 0.255 30 20 ICED CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 486198998 NWIHZCNIXYEBDV-UHFFFAOYSA-N 436.515 0.798 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490347423 IDJAUJQHRDQZLU-AWEZNQCLSA-N 433.896 0.542 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 498102167 PKWXPVIFYNPFSY-UHFFFAOYSA-N 429.296 0.753 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N 498235225 AGEIUZKAIRWOSW-MRXNPFEDSA-N 436.559 0.977 30 20 ICED Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 499482881 DUKPAFPAWPKLKA-UHFFFAOYSA-N 446.533 0.513 30 20 ICED CN(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 502547733 DQIWDTWAJCIDHI-KRWDZBQOSA-N 434.518 0.276 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 506867805 OCAQLUMWAFOEGK-UHFFFAOYSA-N 430.494 0.947 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 506976339 VUUUNVXJAFYFPI-UHFFFAOYSA-N 438.506 0.310 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@]12C(=O)Nc1ccccc12 513973898 FOAFDDNXWNANDU-ZUOKHONESA-N 425.470 0.618 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cn1 514743199 UUHZLEFYWSYYPA-KDOFPFPSSA-N 429.502 0.950 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 517774723 GXSRILUJXVHNKE-IBGZPJMESA-N 449.515 0.248 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 524282984 XAZHWGBYJWGPHX-UHFFFAOYSA-N 437.308 0.507 30 20 ICED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035785 DLJXLABTWVOUHK-ZDUSSCGKSA-N 431.474 0.584 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)C1=O 546401540 HVZSEHOMWAOBPP-HNNXBMFYSA-N 438.444 0.663 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1=O 552345298 ROBAZLVTMMBJKB-QGZVFWFLSA-N 432.525 0.366 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 555859245 BPUPLOPCTVJVME-SJORKVTESA-N 442.559 0.959 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)c3cccnc3)CC1)CC2 559503206 IRQHIVBVHYKGRP-UHFFFAOYSA-N 425.470 0.375 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)CC2)c1C#N 571437337 HAZLXCQNYCDVFD-PMACEKPBSA-N 435.532 0.810 30 20 ICED C[C@@]1(c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)NC(=O)NC1=O 581219886 CCBJPAFWPNZKPV-IBGZPJMESA-N 427.442 0.530 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccncc4)CC3)C2=O)cc1 588865021 ASVPRGPWBHYLES-HXUWFJFHSA-N 432.484 0.914 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 590001530 KWKGFRGGULDHGJ-INIZCTEOSA-N 445.501 0.606 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 604980661 KEHDMUYHTYMEKC-UHFFFAOYSA-N 433.490 0.459 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1C#N 615952804 JJDSJBLRICLXPV-MRXNPFEDSA-N 436.520 0.810 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 672252903 JSBOULRKHHXPCZ-KRWDZBQOSA-N 430.490 0.712 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)CC1 728531769 PLFXXIPTEKQFGT-UHFFFAOYSA-N 430.505 0.918 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 729505775 MHJHXPZUCNUWTN-MSOLQXFVSA-N 433.534 0.437 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1 731124309 OLLPKUGGWKVUHL-UHFFFAOYSA-N 445.497 0.878 30 20 ICED N#C[C@@H](C(=O)c1csc(I)c1)C(=O)N1CCS(=O)(=O)CC1 732909816 GSIRRTIADFAJGI-VIFPVBQESA-N 438.268 0.932 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(O)CCN(Cc2ccccc2)C1 743766645 QNPJCRJKNINXOV-OAQYLSRUSA-N 428.514 0.478 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 747442317 SNQZEONFOQEPAP-MRXNPFEDSA-N 439.584 0.689 30 20 ICED Cc1c(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 748435851 SYTBMKINHDQLGW-MRXNPFEDSA-N 433.424 0.775 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)OC(C)(C)C)nn2)cc1 748908333 LEVHSWUMLNVENM-UHFFFAOYSA-N 434.474 0.888 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNc2cccc(S(N)(=O)=O)c2C#N)cc1 755000681 ASGKQXANDTZWKL-UHFFFAOYSA-N 437.499 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC2(CC1)OCCO2 767677847 BNGSDCSMVVFRHU-AWEZNQCLSA-N 437.474 0.134 30 20 ICED C[C@@H](CC(=O)N1CCC(C)(C)S(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 773665175 XRCCBEXLXAUBSQ-ZDUSSCGKSA-N 427.548 0.929 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cn1 774584028 WPHMRKJLENCVJW-QLFBSQMISA-N 436.538 0.606 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 777312411 BPOFDUANGDPCLG-CABCVRRESA-N 443.522 0.368 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 783479742 NKVGWAACZVFKCR-QFBILLFUSA-N 433.530 0.667 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCn2cc(C(=O)OC)nn2)C1=O 790012114 RPQYKDMVBPELFL-OAHLLOKOSA-N 446.489 0.841 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cc1 792374010 QTGBQHVPIHERSA-IHYLXSPPSA-N 436.412 0.477 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 795816068 GCOQFHBWCJTPMJ-MOPGFXCFSA-N 444.513 0.115 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c4cccnc4nn3c2C)CC1 796122832 TYIAULIWSRMJMD-UHFFFAOYSA-N 433.516 0.721 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCOC[C@H]1C#N)C(=O)N1CCOC[C@H]1C#N 796664331 SECQGLRZQDCHDR-OAGGEKHMSA-N 435.481 0.162 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1 807587137 GCBDBOUKNURXGF-HXUWFJFHSA-N 437.500 0.721 30 20 ICED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C(=O)NCC(F)(F)F)cc1F 810414632 ZFEMRNTYESHYPR-UHFFFAOYSA-N 441.345 0.644 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812380457 MBCGHPKHBZXESL-JKSUJKDBSA-N 444.517 0.589 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 831781317 LTKKKTFKDUPSQF-UHFFFAOYSA-N 430.442 0.977 30 20 ICED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 914684626 HGJILYKAMRRQNB-NRFANRHFSA-N 430.428 0.986 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1 916710875 HKHLPXFFBFRIEL-SILNSSARSA-N 445.567 0.902 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2ccncc2)CC1 917169862 LFKZDIPFISWJFY-UHFFFAOYSA-N 427.486 0.541 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 920612900 BXFJXEFZNBHVEM-OAQYLSRUSA-N 448.545 0.799 30 20 ICED C=CCn1c(Cc2noc([C@H]3CC(=O)N(c4cn[nH]c4)C3)n2)nnc1N1CCOCC1 1116794555 HICFKARBMOYTPG-ZDUSSCGKSA-N 425.453 0.518 30 20 ICED COCCN(C(=O)CN(C1CC1)[C@@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1171820579 OOTKYDDDFDKASX-HNNXBMFYSA-N 440.504 0.935 30 20 ICED COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 1211536716 ZDUWFZZWNXOWFS-UHFFFAOYSA-N 435.481 0.966 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300845614 YPKKVOGHILWKIY-QWHCGFSZSA-N 427.303 0.479 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1322452438 PZVGDYATXWTCIJ-KRWDZBQOSA-N 446.529 0.564 30 20 ICED C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1360531850 WUNUYBHHDJQEFE-HOTGVXAUSA-N 426.481 0.375 30 20 ICED CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@H](C)C#N 1460504881 BJFPJFOAKKOHHV-OAHLLOKOSA-N 428.493 0.793 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccs2)C1 1505140409 JEOUDLIIXFVDIA-BLLLJJGKSA-N 441.514 0.558 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509217750 SWPXOZCIVKMQQE-WMZOPIPTSA-N 435.598 0.935 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(=O)N1C 1512405773 FTOSLNWQTYXVMH-VBKZILBWSA-N 444.517 0.033 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1517329607 PXLSIDALOWLNEC-GOSISDBHSA-N 436.563 0.670 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 1541927345 IWSXGSHCVGCFRG-BLLLJJGKSA-N 425.494 0.092 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@](O)(CC#N)C2)CC1 1557189061 ZJCHKDLPXIETOS-HXUWFJFHSA-N 435.502 0.751 30 20 ICED CN1CCO[C@H]([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1564482832 LLWQAUDWMVAYHA-IRXDYDNUSA-N 446.895 0.845 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1638898625 SUQABMMKUOCSSW-YOEHRIQHSA-N 437.518 0.757 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@H](CS(N)(=O)=O)C1)CCCC2 1655770966 UMVFUKOSPGWSKL-CVEARBPZSA-N 449.577 0.966 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)C2CCOCC2)C1 1686529551 ZWFWYTAOUZUSNG-ZFWWWQNUSA-N 430.527 0.638 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1690346170 MMCQIQSTVLRWLC-ZIAGYGMSSA-N 435.934 0.215 30 20 ICED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1707492450 JEIVUENWCYPHHB-QAPCUYQASA-N 444.565 0.817 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1723956129 QQRZWNWPVLJTHE-HOTGVXAUSA-N 439.586 0.882 30 20 ICED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1769542711 JCBYHHWXIIVTPO-WBAXXEDZSA-N 428.559 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1778908755 IDOIZWHYHYWVCD-OLEQZPESSA-N 447.561 0.640 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779059773 VUVVQTPUDMUWKT-IERDGZPVSA-N 431.493 0.616 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062530 LNXLELREURMGIK-QFIPXVFZSA-N 428.489 0.627 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779279976 IDDVWIONDXBWAJ-IVZQSRNASA-N 428.464 0.760 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c1 1780169856 YMTRQEMSEROHFP-QFIPXVFZSA-N 428.489 0.925 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1781693095 UXMDTORRQFRZLK-WZONZLPQSA-N 437.500 0.640 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963231 DVKKGXFTXRZOLG-OXQOHEQNSA-N 434.424 0.205 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1782017943 VRQCGRBAPYHIGP-DYESRHJHSA-N 447.419 0.878 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1782190183 LWAFYMLVXQMULV-IIBYNOLFSA-N 426.477 0.349 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787923 SYYGCMLAHZLPRX-IERDGZPVSA-N 448.476 0.160 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)O)C2 1783269207 KEHKCVHCRDSFNF-NRVIRDBHSA-N 437.537 0.798 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CCO2)C1 1783889265 HISLNVDCHANDDM-IFXJQAMLSA-N 426.560 0.781 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4cc(OC)ncn4)CC3)[C@H]2C1 1784241937 MWNMXYSLINRHHT-BZSNNMDCSA-N 427.505 0.315 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(C)=O)[nH]n3)[C@H]2C1 1785838025 IBROCPVBVWWAMP-DPQFCDQXSA-N 429.477 0.064 30 20 ICED O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788495055 AKBYIHXOEBTMEG-RBRYJTFRSA-N 428.489 0.513 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)n1ccnn1 1788660777 LJWNTBBUDJYALT-DBXVFXQDSA-N 434.497 0.348 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1790571728 PILCQYNTNDDYCR-BZSNNMDCSA-N 429.546 0.636 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccc4c(F)cccc43)C[C@@H]21 1791072846 FSLNHBSTVOMRIY-QOKNQOGYSA-N 427.432 0.848 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793362298 YSMSOZJEVAGHQF-NFFDBFGFSA-N 427.548 0.027 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)cc1 1796343691 SEWOHAMAGVBBBF-HGKCTWBKSA-N 437.456 0.595 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796870302 AIWZAYVLCHUIAW-ZDUSMZPESA-N 442.516 0.832 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(C)cc(C)nc12 1796919289 QGRMXEMSYIXIIZ-VXIBKDFQSA-N 425.489 0.588 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1797811060 FOVGDSCUPXAMMD-LZPJUBFHSA-N 436.553 0.981 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C#N)c1)C2 1798269317 UEZWMYRKOBAQAT-YYAJDYIMSA-N 432.452 0.943 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1798497095 RFODTANYKQCJQD-WXYWOKNLSA-N 447.580 0.934 30 20 ICED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1800494648 SHVUMQZVBAYNKY-HUUJSLGLSA-N 442.553 0.484 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)(C1)C2 1800703720 UQBINZXMQSAOSS-CSSDOOHLSA-N 449.504 0.448 30 20 ICED 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)CCO1)C2 1800981757 QFPLZXCAFUMHRA-RBGFHDKUSA-N 443.566 0.530 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801403063 XPGKJXUVHJNLED-RPAALFJESA-N 446.504 0.968 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)CCC1 1801976507 DHSHIRNFZISNNB-VWPFQQQWSA-N 441.488 0.276 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)CC2)c1 1809964982 MPOSHZHDUWDQKL-UHFFFAOYSA-N 434.460 0.776 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1812621639 UBGZZABPTHXDNY-SIKLNZKXSA-N 426.517 0.922 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1812675628 VJPOKZUAZAXOGR-GZBFAFLISA-N 439.394 0.804 30 20 ICED Cc1c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1812877635 NMAWNEYEXHTXDX-FOIQADDNSA-N 448.439 0.134 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814594608 ZSBKWRJZAFILTK-CYBMUJFWSA-N 432.550 0.959 30 20 ICED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)n1cnnn1 1814986194 YZYYQGGGVCLBIS-NEPJUHHUSA-N 431.526 0.585 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232147 NHVLLMSVGGMTCL-JSGCOSHPSA-N 429.414 0.718 30 20 ICED COc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)c(C#N)c1 1828326329 MONGMONKVOGRAJ-ZDUSSCGKSA-N 442.501 0.846 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)C1 1829669914 NFUWJORTWCZUFG-QGZVFWFLSA-N 429.399 0.860 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C1(O)CCC1 1829739309 AYWKGGDEKXILAR-RKOCYQMFSA-N 436.553 0.466 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)c1 1830592378 OGCYGVQLSYLCKU-HSZRJFAPSA-N 425.485 0.926 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnc5ccccn45)CCO3)C2)c1 1830664068 ZBAIJXTVQDHRTD-QHCPKHFHSA-N 448.483 0.847 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207387 HKSQKDUDQRAWMQ-FDDCHVKYSA-N 426.517 0.861 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1831388849 ZMRZIGPSJGEJLO-JTSKRJEESA-N 445.472 0.632 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1831392015 ANWAJYDLNDJMQZ-ZHRRBRCNSA-N 426.473 0.623 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831399174 QLRGPAKVQSRVKL-VGOFRKELSA-N 426.473 0.443 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831597013 ZKEZKAVPXFNMAD-ZHRRBRCNSA-N 428.489 0.069 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)nc1 1831666019 BNOVBMGMFSECFY-SFHVURJKSA-N 447.513 0.806 30 20 ICED CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccn1 1833371741 VRPUWPXFJTZWBX-JOCHJYFZSA-N 429.473 0.537 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833464821 WANIFCSBAFZMMN-LJQANCHMSA-N 434.581 0.319 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)noc1C)CCO2 1834063224 ZSRWUPBQGUAPDR-RMUOZIPVSA-N 432.477 0.220 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cnn1C 1834424878 LTWZEJJJIIXGQY-DUYDGHCJSA-N 432.525 0.270 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601818 PLOLNYDRNACLFO-KRWDZBQOSA-N 449.552 0.705 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1835356503 AWHOPGGBILDECH-IBGZPJMESA-N 432.868 0.756 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1835675225 YFGSVFGXMDDDNG-JOCHJYFZSA-N 436.553 0.541 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837446812 GVDHHESDLCKUPU-GQBLCDNYSA-N 432.525 0.270 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837446847 IICNTBUWKNNDPN-MWLMUJSGSA-N 435.569 0.400 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490409 CPYKCCTXEDIDMP-HSZRJFAPSA-N 442.516 0.554 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838192056 DYJNDDSBWRCYJO-HTAPYJJXSA-N 432.521 0.809 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1C)CCO2 1838259711 JIJOWTMZNQFLIC-DYRFGFBLSA-N 446.479 0.458 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222176 GIYIGCZUWFYDRZ-WRWLIDTKSA-N 426.514 0.158 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1Cl 1839237050 SUWYTQASHPWYFA-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572367 TYKFKYNLZGMMRN-HJPURHCSSA-N 441.484 0.290 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)cc2C1 1839621865 WWXHUYBIEDRWQM-NRFANRHFSA-N 430.509 0.092 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623013 IQPFBKGPUFBUTQ-YCRPNKLZSA-N 447.467 0.530 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371858 FWRZTNRRDIISLV-PERKRYKHSA-N 447.536 0.126 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)CCC1 1840814704 DXOUINWXEJAAOU-STSQHVNTSA-N 444.532 0.538 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(N4CCOCC4)n3C)CC2)o1 33038268 GFHMGVGPJLVUAV-UHFFFAOYSA-N 432.510 0.261 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] 65174783 UXOJEUORGWSMEX-INIZCTEOSA-N 428.405 0.707 30 20 ICED CCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 409592208 BVIRKFZPXXUHPN-MRXNPFEDSA-N 430.552 0.714 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 429802357 KAYRIMRJGFMOKG-UHFFFAOYSA-N 435.509 0.906 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 433185050 ZYGJTYZUEMAZIH-ZIAGYGMSSA-N 429.568 0.853 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)CC1 446733612 GFMZWZPVQVTOKK-UHFFFAOYSA-N 425.493 0.175 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C2CC2)O1 470907502 SGRADEUTOVJDIR-QFBILLFUSA-N 432.546 0.890 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 480525828 KMHLUDSYHKQRIC-GDBMZVCRSA-N 442.563 0.545 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)o1 489015084 PMTLSZXWKRIFPU-ZBFHGGJFSA-N 444.509 0.937 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C2CCN(C)CC2)c1=O 505655325 CLIDYJOIGQAISS-OAHLLOKOSA-N 441.557 0.327 30 20 ICED C=CCOc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 506181809 GLVAOTKIUCRBJN-UHFFFAOYSA-N 427.461 0.562 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1 508019708 XBQZPCBYQSCLIP-VFNWGFHPSA-N 442.476 0.912 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCCCC#N)c2)c1=O 524267837 FLSLDNRSHWLVDT-UHFFFAOYSA-N 440.525 0.878 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 524281312 QDLNAOOCBHYKCH-UHFFFAOYSA-N 428.470 0.812 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 537152884 XQELOYIWVAIEDT-IBGZPJMESA-N 435.488 0.730 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 539658166 QYUSKGSPMGOPSW-UHFFFAOYSA-N 430.914 0.667 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1=O 548655107 WVFDHLFEEURYKP-UHFFFAOYSA-N 425.367 0.726 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 556181220 DWTKRFPGBAXQOU-UHFFFAOYSA-N 430.490 1.549 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 556327681 SPAUFRYFQHANHI-QGZVFWFLSA-N 442.439 1.332 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CCN1Cc1ccccc1 579739968 IICFBJZCECMSBU-OAQYLSRUSA-N 448.527 0.771 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)C1=O 582443939 KNBQNMNKAGLTPV-GFCCVEGCSA-N 425.388 0.878 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)nc1 585710772 LNZGQHGTVZNEEE-UHFFFAOYSA-N 430.472 0.935 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 586830979 VSKLTXBLYFQKDJ-HNNXBMFYSA-N 443.460 0.767 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1Cc1ccccc1 590975619 UUWOZJWWDQENJC-UHFFFAOYSA-N 440.550 0.989 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2F)c1=O 603795418 OTTYXHKHLYGBFN-UHFFFAOYSA-N 433.505 0.741 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 609686336 BHYZPFLTTVOYCY-GOSISDBHSA-N 443.552 0.662 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725764971 GYWOYAMVNWJGBU-KSFYIVLOSA-N 426.521 0.815 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)c1 726581118 LWMJSMUMNGMQPQ-UHFFFAOYSA-N 429.505 0.739 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 728570802 NFWUCZPTNGFTGV-UHFFFAOYSA-N 425.577 0.396 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 729257239 XPJVGSZKWWHPNI-UHFFFAOYSA-N 433.559 0.273 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)ccc21 735766815 FWGQMTQFVASFPF-UHFFFAOYSA-N 440.481 0.843 30 20 ICED COCC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737305591 PIFNHWXGPFOZMC-ODENVGOISA-N 440.522 0.342 30 20 ICED CN(C1CCOCC1)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 739940480 PJWLIGNNNABYFP-UHFFFAOYSA-N 428.536 0.220 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)n(CCOC)c1=O 753788337 LNQXVJHJTGGBNA-MAUKXSAKSA-N 443.573 0.971 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758049339 AJGHSLVJQRPVFE-ZDUSSCGKSA-N 430.917 0.554 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn(CC)c2)c1=O 758059726 MWFHMLNOIPWOQY-UHFFFAOYSA-N 449.458 0.816 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccnc(O)c2)CC1 762849379 YCHPQKWCTUDEGE-UHFFFAOYSA-N 430.442 0.349 30 20 ICED CC(=NNC(=S)NCCCN1CCOCC1)c1c(C)nn(CCS(C)(=O)=O)c1C 763124664 IOBHFIDMBNTXOW-UHFFFAOYSA-N 444.627 0.455 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCN2CCNC(=O)C2)C1=O 781103850 CQDRVFWCCMQHGF-OAHLLOKOSA-N 437.497 0.334 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)cc2F)c1=O 782340366 WKKYVJDHQDOIEC-UHFFFAOYSA-N 426.882 0.278 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)cc1F 786560264 ARRMWHRNNBGPAD-YXWSMURKSA-N 431.395 0.842 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 787754115 CAOCTXNDKNJPFV-IBGZPJMESA-N 434.500 0.831 30 20 ICED CN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2Br)CC1 787884738 YKLNZDNTJVKHTQ-AWEZNQCLSA-N 436.310 0.890 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1 789788759 VPFCTFOOJHDGPN-UHFFFAOYSA-N 447.517 0.347 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccsc3)c2=O)cn1 790435290 ZQNCLSJOUZJKGI-UHFFFAOYSA-N 427.511 0.056 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(COCC)c2c(C)cccc2CC)CC1 801525957 UHKVPROKGHHDMI-UHFFFAOYSA-N 436.578 0.970 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)C1=O 801553252 QXOLPXXWGUEVHU-HSZRJFAPSA-N 447.499 0.964 30 20 ICED C[C@H](CC(=O)NCc1ccccc1S(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 805311329 ZVQSWSUBWSEKPF-GFCCVEGCSA-N 436.515 0.468 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOC 812274566 GXAHYTZGWZOCIG-UHFFFAOYSA-N 449.504 0.360 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccccc2)c1=O 838163562 OVDZYBYJTUIOFW-UHFFFAOYSA-N 429.542 0.991 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCN(C)CC1 842277711 OQVSXPVVEUWWDQ-SFHVURJKSA-N 435.594 0.894 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(O)nc1=O 906480407 HJFLPRDXFQZMBC-UHFFFAOYSA-N 448.505 0.423 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 916892594 NAPLQDKLWXUSDS-AWEZNQCLSA-N 429.445 0.837 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1=S 917443877 QHDRPSJFLWXWJU-UHFFFAOYSA-N 426.524 0.564 30 20 ICED CC(C)OC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918247806 COWPPSXJWGPPEM-JWGURIENSA-N 438.506 0.896 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCS(C)(=O)=O)C1CC1 1286620631 PWTDKWIQQRBPRC-NSHDSACASA-N 425.964 0.654 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc12 1318832375 JHRCYZWLIIXYKS-AFMLGWFNSA-N 430.490 0.704 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)CCO1 1517545630 OTTQTWUDJXBLSM-MAUKXSAKSA-N 428.493 0.962 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1706891108 SJPCRFKTARVJCC-YBKUAAOGSA-N 438.554 0.822 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748295137 RGFBAWUFMHIICW-MRXNPFEDSA-N 430.538 0.374 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCS1 1761498292 DBLBFFCHTSHITP-IMJJTQAJSA-N 439.611 0.960 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1766697882 TVHDOSAQBZUOBF-OAHLLOKOSA-N 425.559 0.924 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778018071 DWKSOPHSGNTQNY-WAWZGNHOSA-N 435.481 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1778972087 SQFBIMBTSHHCIU-VGOFRKELSA-N 431.489 0.869 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1778973167 ZTQYCPOYNNDHKF-HXOBKFHXSA-N 446.548 0.690 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779201348 WLQFCSLMBMWYMP-ODEMNLNRSA-N 441.525 0.138 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)[C@@H](O)C=C)C1 1779330376 ZBXSGOTZNYGWAE-WJGWRPCBSA-N 433.549 0.932 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1779408043 TTXQNVMHWSQFCN-BMHLXIAXSA-N 430.523 0.313 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779865796 QJRXLPKJUMHASQ-VLIAUNLRSA-N 435.481 0.983 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c(C#N)c1 1779888071 XSQAEGVFKAGEPA-HSZRJFAPSA-N 436.468 0.886 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781052466 JDTWSTKZVNHZAU-PNCHPQGNSA-N 445.564 0.499 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172969 MCZYINVXLHWAJO-QMHKHESXSA-N 440.500 0.630 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)c(C#N)c1 1781174984 WCFOFVGHODINNK-QHCPKHFHSA-N 442.516 0.271 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781271537 DEDZXSBLINEYTB-QGZVFWFLSA-N 435.399 0.004 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2)C(F)(F)F 1783207532 MEHQCCCKOMBNCT-GOSISDBHSA-N 441.410 0.579 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nn3CC)C[C@@H]21 1783531363 WRKUWJCIJKZUPN-SAWCTPMISA-N 429.521 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](N)c3cccnc3)C[C@@H]21 1783531480 ZVDZBWVPHJPVNQ-XHQGZTBTSA-N 441.532 0.310 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccnc1 1784257278 DALGLBBFOKNAOR-RWLWZCNISA-N 433.509 0.953 30 20 ICED CCC(=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 1784366301 XQAOUCDLCLJROY-MAXOSKQPSA-N 438.525 0.410 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788823 GULLHNJJJPWNJR-VGOFRKELSA-N 434.537 0.295 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1785079931 PTLROFOZWZKBQC-QRFQSNJMSA-N 427.505 0.350 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788471553 JHHRMYXJXZWQKI-JPLJXNOCSA-N 444.488 0.410 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789710142 RCZCBVCPJZFLAC-XIRDDKMYSA-N 430.530 0.285 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791072341 DNINQTTVPOCHCS-UVBQOVKKSA-N 426.469 0.866 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4c(Cl)cccc4n3)C[C@@H]21 1791076392 BLNKXDBGTIFSJZ-YDHLFZDLSA-N 430.848 0.669 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c2n1 1791076459 GHLDVTCZMKOKMI-XIRDDKMYSA-N 425.445 0.027 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078406 YPKOXIWMXUMTKB-JDFRZJQESA-N 431.401 0.290 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc(C)s3)[C@H]2C1 1791586809 GFCNDAXPANPBKY-GFXHUTCISA-N 432.546 0.832 30 20 ICED 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)C1 1792896120 FKWOVIGOCDNKBW-YETLZGHKSA-N 435.521 0.264 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCc3cnc[nH]3)c2c1 1794010090 XYSWMOUSENXWHR-YVWYUNDQSA-N 433.472 0.994 30 20 ICED COc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1794014411 SXJPBDZRQXBLAC-UPHUGPLXSA-N 443.548 0.894 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1794842596 PHKKTIVVEQOMMZ-LVQVYYBASA-N 431.562 0.978 30 20 ICED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1C 1794984545 XHNGRXRVVOHGRZ-BCDXTJNWSA-N 429.521 0.884 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795729886 FJCISYOOSBIRCU-BASYENTBSA-N 426.477 0.389 30 20 ICED 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 1795895089 OBTCRSTUPYFUJJ-VTMBPIDISA-N 443.566 0.265 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818678 YQFKNGTWWHRCQY-FTSVGQHTSA-N 433.509 0.638 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797854421 QOXRIJJFTSWVPO-IYWMVGAKSA-N 425.485 0.614 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1798396622 PXXLFIRZPXBZCS-RNGZQALNSA-N 429.521 0.806 30 20 ICED COC(=O)C12CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)(CC1)CC2 1800778380 QWBPEBWZDCNCHK-UWDKCCGDSA-N 432.473 0.178 30 20 ICED C[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 1802115163 LRGYEOWIGYYJCR-DEYWJSPQSA-N 435.484 0.908 30 20 ICED C#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]1C=CCN1)C2 1802128066 XEWHRFRWCZFBNX-MDMSPXHWSA-N 432.521 0.021 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1802685116 LKOMFEVPFUZWTQ-RHSMWYFYSA-N 434.460 0.682 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1803245350 RBOJXDKZYNMEDL-AOIWGVFYSA-N 430.505 0.996 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1 1809419570 AGPHODBUJUZEBL-JZQBQCRLSA-N 429.539 0.791 30 20 ICED Cc1c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1811312157 XRSYKDOCVRSLFL-FOIQADDNSA-N 448.439 0.134 30 20 ICED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815211630 OPAVKAIGHMXHAU-OCCSQVGLSA-N 429.414 0.718 30 20 ICED CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)C(=O)O 1817365385 DIIOLFOVYDDXCM-CABCVRRESA-N 433.513 0.746 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)c1 1825455015 FYMOWMNWRCDVNJ-GOSISDBHSA-N 447.513 0.806 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828947927 CWJWOELUUQASME-LJQANCHMSA-N 428.537 0.991 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)C1 1829669103 PHCCGMQBLQOECW-NVIZVJJSSA-N 443.500 0.875 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829823246 HDFFJTXSGIPIJI-NZQKXSOJSA-N 446.500 0.468 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(C)c3)C2)C1 1831386190 BULWMMKPFMPKDV-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831386598 AWXNOFQPMCFCHE-DVECYGJZSA-N 439.512 0.986 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831433674 XVFNXYURZHIVAM-OPAMFIHVSA-N 449.504 0.760 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831437479 BJPBIZJVGWFFKL-HXUWFJFHSA-N 444.550 0.332 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3CCOCC3)CC2)CC1 1834545203 IEONCIIYPOXZPA-ARJAWSKDSA-N 432.565 0.843 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834571734 DMKFVJVDCSIUBN-HNNXBMFYSA-N 430.571 0.404 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835309051 ZZGXZCANSIOZCQ-GCJKJVERSA-N 449.624 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1835716913 CTKVZBDOGKQPJO-IBGZPJMESA-N 434.537 0.925 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837095727 SPANECLGVIITEK-IERDGZPVSA-N 433.509 0.700 30 20 ICED Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529264 QPQRXODYNJQYBS-OMJZWIOZSA-N 434.493 0.922 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837802842 IKQJCTLVRDXADJ-NRFANRHFSA-N 432.525 0.378 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC(CO)CC4)C3)C2)c1 1838732557 VMHLWUZUTDPUKJ-QRFVXNFXSA-N 430.505 0.755 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838747037 WBIATWYJPDTUFU-QFIPXVFZSA-N 438.440 0.030 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838830576 GGLRMCSZDCRCQG-HTAPYJJXSA-N 448.520 0.518 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839133523 UNQLOPBBTUEATB-HSZRJFAPSA-N 425.485 0.979 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839389174 ZAXMAMHVNBUZGK-JPFXZVHCSA-N 441.484 0.626 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840158534 NAHRPQPVHVJMCC-LIRRHRJNSA-N 431.555 0.628 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1 1840351130 ZMMWBZZIUSUWRW-GCJKJVERSA-N 431.537 0.787 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840712964 YXUBFCALWAYNNC-OPAMFIHVSA-N 428.489 0.520 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840819823 HODHZGDBGNWVGK-NRFANRHFSA-N 442.428 0.401 30 20 ICED C[C@H](C(=O)NC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 409566420 XVEAQKBIWZEKLZ-BFYDXBDKSA-N 446.475 0.279 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCO1 410145103 JJYYMYGKVANIFO-SFHVURJKSA-N 433.534 0.053 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc(-c3nnnn3C)c2)c1C#N 438228247 GEWKHFWYEKXRLB-UHFFFAOYSA-N 443.493 0.352 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCOC1 441946949 DCHZOJGMGREMBO-MRXNPFEDSA-N 445.516 0.741 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)n1 444508641 UOPNLKIZVPZDJF-CYBMUJFWSA-N 425.367 1.310 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 446452964 MOXZBTXNCNHGQW-KRWDZBQOSA-N 447.561 0.334 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1C 446518924 DNXNZUQUKACRHR-QGZVFWFLSA-N 445.501 0.307 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460603241 YOPHQFGDJPLBBJ-UHFFFAOYSA-N 438.492 0.090 30 20 ICED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471052750 MLXLTTGUXNSLPE-UHFFFAOYSA-N 441.488 0.524 30 20 ICED N#CCCN(C(=O)CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 471315704 SJQZLQODCMLMPI-RBUKOAKNSA-N 448.545 0.016 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 475622356 PTQLIVCFGCOSPU-UHFFFAOYSA-N 427.465 0.408 30 20 ICED CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)CC1=O 479821643 HGVIDICXEKVJPN-UHFFFAOYSA-N 441.517 0.138 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccon1 480939916 YFAQKYXKZUJYFF-UHFFFAOYSA-N 436.449 0.456 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 483683674 LCJDIHCEXOOPIH-UHFFFAOYSA-N 448.439 0.130 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 489191869 NSGNTOFDYNWNFG-KRWDZBQOSA-N 425.532 0.500 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 489216141 KFOYOQNHLLZMIZ-GOSISDBHSA-N 446.533 0.839 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 490153556 VTPSAZDXKWWFHD-GFCCVEGCSA-N 435.431 0.909 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 494122289 BFJYBBQHVVGWLU-UNEWFSDZSA-N 434.518 0.557 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 500079753 ZWNUOYZNRZAGRD-OAHLLOKOSA-N 448.588 0.835 30 20 ICED CN(CC(=O)NCC(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 501629127 KWFUVGDJHPBWRZ-SFHVURJKSA-N 442.497 0.935 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)CC2)c1C#N 506410164 ZGNOVMMXNBCITP-QGZVFWFLSA-N 438.536 0.700 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 506912585 OMMJUHWYEYLSBK-CQSZACIVSA-N 447.521 0.212 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 508040765 CMTJSPKRIKJLMR-HXUWFJFHSA-N 447.495 0.494 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 509377798 HZPQYYKAHYBEPI-UHFFFAOYSA-N 427.482 0.819 30 20 ICED CO[C@@H]1[C@H]2C[C@@H]3CN(CC(=O)N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)[C@@H]1[C@H]3C2 511680979 JWBHKJBCIHXOIG-PEVTXAFISA-N 444.557 0.746 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513986055 WAYOTROIVFYNOJ-JLTOFOAXSA-N 431.518 0.856 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCC(N)=O)CC2)cc1 514526993 UPBSYLFORSWSQW-UHFFFAOYSA-N 428.470 0.569 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CC2 518438792 VTJIHGUOICPHSR-HNNXBMFYSA-N 441.467 0.215 30 20 ICED C[C@H](NS(=O)(=O)N(C)CCC#N)c1ccc(CNS(=O)(=O)N(C)CCC#N)cc1 541313675 YKJMUIUWYXQAKF-HNNXBMFYSA-N 442.567 0.607 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccc(OC)nc1 568712319 DSPURTZMIPMTIK-UHFFFAOYSA-N 436.493 0.869 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 578977517 BPHRWIOMSFBSOM-OAHLLOKOSA-N 425.493 1.117 30 20 ICED COc1cc2c(c(OC)c1OC)CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)CC2 588127283 AOKPZWMKICKGNN-UHFFFAOYSA-N 430.505 0.744 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)s2)c1=O 603795073 KWKMPZJMOVTPIX-UHFFFAOYSA-N 435.571 0.972 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 609942216 NRELMHUNLDMBDN-UHFFFAOYSA-N 442.501 0.450 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2F)c1=O 619695036 SOGBBXDDYAOSBM-UHFFFAOYSA-N 429.473 0.605 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)CC1 729281732 NNHNKFSGZQRWCY-UHFFFAOYSA-N 448.589 0.923 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730722367 ATLJHGITPSYJJH-ZDUSSCGKSA-N 441.473 0.282 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 730892455 PUJPCQZVZLWBRE-UHFFFAOYSA-N 432.433 0.782 30 20 ICED CN(C)CCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 733888973 LQZHZZPZXSJSKW-JOJWKMGHSA-N 435.550 0.848 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 742142706 QJUDGLOIHKCBEB-OAHLLOKOSA-N 444.517 0.551 30 20 ICED C#Cc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)c1 742267914 XECPHYZFHHQTDI-SFHVURJKSA-N 440.481 0.518 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cn(CC(=O)N(C)C)nn2)n1 742796529 IUJXZBNTNJVSCJ-UHFFFAOYSA-N 433.523 0.732 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccon1 747182761 HOIBPXJYFJKARV-CQSZACIVSA-N 440.503 0.774 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 751445113 KOODMARQESVAGP-QGZVFWFLSA-N 441.575 0.179 30 20 ICED C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C#N)c1 753660292 ZVJBNASMZWLYGF-WFASDCNBSA-N 432.458 0.594 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 755556168 YFYQKEOUHYUNFM-OCCSQVGLSA-N 426.437 0.476 30 20 ICED CC[C@@H]1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 757119913 GNWIRVJKZZWDDA-IAGOWNOFSA-N 435.502 0.892 30 20 ICED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757296162 VKSRDRKDHZTWNE-CQSZACIVSA-N 437.460 0.657 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 761038289 VFOIOKYYXSWMIS-UHFFFAOYSA-N 425.467 0.017 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 762941103 INHVDKSWOLFDRH-ZDUSSCGKSA-N 444.469 0.184 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NC1CCCCC1 769207662 VHHWYEJLBUXDPP-CYBMUJFWSA-N 436.490 0.927 30 20 ICED COc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769844233 ZLUJONOTGMNOHV-UHFFFAOYSA-N 446.441 0.737 30 20 ICED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 771600338 YXOUGWOKMMKDGH-FQEVSTJZSA-N 426.433 0.664 30 20 ICED C[C@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 771889274 AGDALMYONADHRC-LZWOXQAQSA-N 425.555 0.639 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 772716870 ITICCAJHSATJTA-UHFFFAOYSA-N 430.504 0.506 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774580500 DMCAQLCWNFWQPD-WSGWHCGDSA-N 447.561 0.696 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(O)n1 777132547 BYHLJTZJGUSMCV-UHFFFAOYSA-N 444.469 0.657 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060389 MKKJREFOBBURAN-FGTAOJJYSA-N 440.412 0.472 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 800778994 KBWXLPDQROVQKS-NSHDSACASA-N 438.476 0.969 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4C)CC2)c1C#N 804575363 UOFBPOPCEMGVKQ-CQSZACIVSA-N 449.515 0.645 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC1(C)OCCO1 807417544 LUAJHKUQEDPYKF-MAUKXSAKSA-N 428.489 0.681 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 810996842 YHKSEMPSMKEWEN-UHFFFAOYSA-N 425.326 0.444 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 915477055 AGSIIRGNNIEVTM-BIENJYKASA-N 425.507 0.945 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 916891953 HMEUFUAPGIDLPU-NSHDSACASA-N 432.296 0.784 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 918874981 JNOWJOFLDSHFAA-AWEZNQCLSA-N 438.506 0.817 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1288994278 CALGNWZPEKENFC-LEWJYISDSA-N 426.477 0.582 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1301800135 URVHWWOIKIOKFZ-UHFFFAOYSA-N 431.419 0.559 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccsc2)C1 1302483778 KLHXWMJRWPSKQU-HUUCEWRRSA-N 438.535 0.450 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 1303941690 FIQGTQDYVFOVSQ-OAHLLOKOSA-N 436.538 0.169 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1CCO[C@@H]1CCCCO1 1341800995 BJAAQKNBLZCZNS-DOTOQJQBSA-N 438.506 0.314 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1503433038 YYEJHVUIFRHCNC-FUHWJXTLSA-N 447.517 0.767 30 20 ICED CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515061507 PQSFAJGYMKFMRK-QGZVFWFLSA-N 425.493 0.684 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1517126032 VSRFZUHHURDSMY-MRXNPFEDSA-N 431.522 0.629 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1517488554 XRHVACMAZRSOPN-NRFANRHFSA-N 435.492 0.868 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1541703662 VPYXWXMYLJPBNO-OAQYLSRUSA-N 425.493 0.955 30 20 ICED CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1541745025 YJTKPNMYAFKWEB-SFHVURJKSA-N 448.549 0.996 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1552729235 UIRFIRPICSLIFW-GOSISDBHSA-N 437.504 0.733 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1723946620 YPJSUSRUKPJOOQ-BMGDILEWSA-N 425.559 0.085 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)CC2)c1C#N 1742670182 XVTIEXJZMUTGSX-UHFFFAOYSA-N 448.535 0.592 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)CCOC1 1767425172 NOXRQQIZOHVYBF-OAQYLSRUSA-N 432.525 0.919 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1771081916 XNGFFSNPGYGTRF-LJQANCHMSA-N 438.536 0.951 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104946 POZAJSKFSZOAKH-PAIJHWHYSA-N 435.525 0.627 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779105920 HNQJDNNOKIZMNO-VSDLEHRUSA-N 447.492 0.638 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779412375 XHZRHFAFRDQKAS-WOUAJJJCSA-N 429.583 0.105 30 20 ICED Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1780015830 CZIOSOADFWIJIG-UZLBHIALSA-N 433.534 0.729 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1)C(F)(F)F 1780021685 LIYDYKTVOUHDKT-GOSISDBHSA-N 439.394 0.893 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(OC)cc4C#N)C3)C2)CC1 1781177268 VPIYRQHMRYVGEH-JOCHJYFZSA-N 441.484 0.892 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1782163514 ADLJIDATUYJRIG-QNFHRHJVSA-N 434.489 0.568 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1782196099 UEVLBLCAUHHXJK-NRFANRHFSA-N 435.444 0.812 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1783766442 DTFVKGSFDCGRRX-QVKFZJNVSA-N 448.524 0.728 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783888828 CHBBJQLSZWZYOV-KSMMKXTCSA-N 430.571 0.377 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783900652 XXRZSZHOXUQDKB-BXTJHSDWSA-N 443.566 0.771 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380881 ZVPUOJIGIJXCFR-URAOTHONSA-N 433.530 0.926 30 20 ICED CC(=O)Nc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1788190576 BAEQCFJBIZHAQG-WDSOQIARSA-N 427.457 0.255 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255181 JKDXIOBELVDGPV-ZQIUZPCESA-N 428.493 0.160 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659634 QYTJXDMSKBSPJN-OITTZMCFSA-N 438.525 0.362 30 20 ICED C=CC(=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 1788754943 VCBCBHWLILDTJB-ZHNBBLHESA-N 436.509 0.186 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789360569 HFTRGSCFZUQELU-CYDGBPFRSA-N 445.442 0.990 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270490 AFNDXHAJNYDILE-WDSOQIARSA-N 443.573 0.944 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21)C(F)(F)F 1790884683 QENXSVXSLOZBPO-AVGNSLFASA-N 430.383 0.659 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C[C@@H]21 1791077995 OVDBLQYGYQMCJO-TUFLPTIASA-N 439.512 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2 1792489442 XDAPHNCIOAHYDM-VQICEPBWSA-N 441.463 0.535 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795408189 PNWJXZQMHQYKHT-HGKCTWBKSA-N 431.514 0.526 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796043412 PPPDUBUENOEZNT-JONQDZQNSA-N 427.571 0.234 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCO2 1796783444 PLKWQBSAHPFLNP-PFIYSYJPSA-N 427.457 0.477 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(C)cc(C)nc12 1796919288 QGRMXEMSYIXIIZ-BMFAXAFESA-N 425.489 0.588 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797379222 BPAHVMBZPAMOMQ-JLVBRIDZSA-N 425.493 0.214 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc2cn[nH]c2cn1 1797580650 SIJJQFUGJMYOQJ-UPHUGPLXSA-N 437.500 0.860 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)n1ccccc1=O 1797933753 QZDGDRIRPMKMHQ-HMWYJALPSA-N 429.521 0.471 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798519285 UINJLAJDCSFQSD-VTAATOQXSA-N 438.488 0.945 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](N)c2ccccn2)C3)c1 1798577050 SOHHEALSGOMLFT-HRQSHJORSA-N 435.484 0.865 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)cc1OC 1798819683 LNNZOKKGQDCTLI-VLTQWEFMSA-N 443.500 0.765 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c(Cl)c1 1799749626 JZJWSIICQNOISV-ZSBFGKGUSA-N 432.864 0.867 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3ncccn3)C4)c2c1 1799883667 YYZPDQCWJWBTPE-YVWYUNDQSA-N 431.456 0.670 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1801991216 INAALQGEEAAOET-YVCBRDFCSA-N 435.484 0.622 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806852549 PAVWHUMDDVCRBG-FHWLQOOXSA-N 442.472 0.886 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810333206 INWIRPUTDQMPQU-UGKGYDQZSA-N 429.517 0.795 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1812668615 MMBSUIIZPPCGAY-SQWLQELKSA-N 435.431 0.897 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1819716271 ZZGHUEKYOLTZHB-ZWNOBZJWSA-N 433.538 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819889557 HUELLPUJOHVKOK-VBHSOAQHSA-N 439.538 0.507 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)[nH]n1 1822200945 CXTIYEWFRAHPIX-CQSZACIVSA-N 439.432 0.134 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824505993 TVEAGXKLYWVRMA-DOTOQJQBSA-N 431.470 0.922 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829802966 BJRMCEKHUWRLMD-MBSDFSHPSA-N 426.517 0.861 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(=O)c1ccccc1)CCO2 1830855807 LLRVEMVZBYJYDE-WMZHIEFXSA-N 427.501 0.675 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1831391402 AIGNXTJEKOFLDB-WAIKUNEKSA-N 441.484 0.290 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1831393364 KPFLDEXHORAFAI-OPAMFIHVSA-N 426.473 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1831402813 RXMKUGPIODBSOG-KGYFJTNRSA-N 427.501 0.980 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831424307 HBFIGSDJXUUDTE-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832151054 QIZGSKARAHXJSF-MSOLQXFVSA-N 438.443 0.739 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833824600 QNWXDDDCBLHWSB-OAQYLSRUSA-N 448.476 0.192 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1834165178 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1837287531 SZRNLSCGRCQKSA-QUVRYOLLSA-N 435.565 0.356 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1ccccc1=O 1837690770 VRIWUCHQFHCLLJ-VGSWGCGISA-N 428.489 0.560 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838094207 ODQDDNOJZXSLLO-DZHDYZGWSA-N 430.509 0.327 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3ccccc3)nc1)CCO2 1838343567 RUTKECHHRPNRPY-DEOSSOPVSA-N 449.463 0.907 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838386981 XCPDKWNYUKAVCX-SFHVURJKSA-N 447.532 0.483 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(-n2nccn2)c1 1838631863 XBTDPSLPBPLCMP-KKSFZXQISA-N 445.545 0.964 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CC1 1838733347 ZVIAHSMLHPIFNW-QFIPXVFZSA-N 429.521 0.688 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1 1838831568 SVPPFACGWQQQOS-HRAATJIYSA-N 449.508 0.746 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838905799 AGVHJEZGWKJOKC-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1839174617 NMJXOKREQHVSPZ-QFIPXVFZSA-N 446.504 0.375 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839174764 VWTSIHGFVANLSR-IBGZPJMESA-N 438.506 0.305 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839228384 BFRFDDCYMOIBQJ-UTKZUKDTSA-N 433.509 0.667 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497198 ZBVKKRKVKZMNIA-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839842711 DRORDZRQWQIDHO-YCRPNKLZSA-N 434.493 0.381 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1)C(F)(F)F 1839891406 CZXUUZOCFSVAAW-MLGOLLRUSA-N 442.456 0.242 30 20 ICED Cc1ccc2nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)sc2c1 1840041385 KCINPLCPTPXXOH-NRFANRHFSA-N 443.481 0.763 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840161248 JCRJMKOIDRIBTJ-SGTLLEGYSA-N 439.925 0.771 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)n1 1840161372 MJYZAQJYZAHKEA-QRWLVFNGSA-N 438.550 0.062 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840173224 KACIFBGMALGXRL-KRWDZBQOSA-N 427.299 0.829 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434679 IQVPXOUKZJFSOJ-XMSQKQJNSA-N 432.521 0.074 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840841024 YYRSOQPWPPILMX-NFPSEPLVSA-N 439.512 0.729 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881312 OVAZYAZVPTUEIE-OBOGRJQTSA-N 438.502 0.591 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843103835 ISWAFLBVULQSQB-ULQDDVLXSA-N 435.521 0.598 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2ccnn2)C1 1845816848 RGMMKZRXQVVNKF-HOTGVXAUSA-N 430.509 0.959 30 20 ICED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27105399 HSABXLZWRSAKJM-GJZGRUSLSA-N 447.517 0.962 30 20 ICED COc1ccc([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)N2CCOCC2)cc1OC 196431845 FSLCSGQKYUCUAB-INIZCTEOSA-N 429.477 0.458 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N\CCS(=O)(=O)N3CCSCC3)NC[C@@H]2C1 305036389 SQNXIYSBZOYVHE-CQSZACIVSA-N 433.600 0.246 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 429268062 QBZOCWMHGJWHJU-LBPRGKRZSA-N 435.448 0.781 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441950636 CVLUSEDGEDBAAI-GJZGRUSLSA-N 445.566 0.806 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OCC(F)(F)F 442034297 QYWXOTYNWDPNQH-LLVKDONJSA-N 425.323 0.200 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3F)c(=O)n2C)CC1 445595826 COFQSLVYPKHSPH-UHFFFAOYSA-N 434.924 0.906 30 20 ICED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c1 463525144 KJBYYNCBEBSGHC-UHFFFAOYSA-N 439.471 0.819 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 472387465 MZVAZDSTHHBYIW-VBKZILBWSA-N 425.470 0.818 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCNC(=O)C1 508502444 AQJHPBOKNRCUFE-UHFFFAOYSA-N 432.506 0.088 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 515366060 ISJQZVIOVSZHNC-UHFFFAOYSA-N 449.514 0.744 30 20 ICED COCCOC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516888945 NUYBFUVXGUTHFZ-MOPGFXCFSA-N 428.489 0.287 30 20 ICED C=CCN(C(=O)CCCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 520643168 XTIRHZCIXHZHPK-CALCHBBNSA-N 446.591 0.560 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 522027962 DGUYSXYDOBHCBK-LPHOPBHVSA-N 427.505 0.349 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527280124 XVXLWMCFJBCQAN-MRXNPFEDSA-N 425.510 0.456 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 532140281 LILDWVQWZATWAK-OAHLLOKOSA-N 430.530 0.304 30 20 ICED CC(=O)NC[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 533432868 KTOZOSVUWYSKQB-MRXNPFEDSA-N 442.476 0.292 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)C1=O 539977199 BHTYDKQHFSOREI-UHFFFAOYSA-N 438.462 0.338 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 541146237 FQHLMJVYDRECFK-AWEZNQCLSA-N 430.852 0.699 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(S(=O)(=O)NC(C)C)c3)no2)C1=O 545703320 ZKTNMDXFWUUXEW-UHFFFAOYSA-N 433.446 0.900 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)nn1 546564183 CFZFAZPTTKSVGS-INIZCTEOSA-N 431.474 0.715 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)c(F)c1 554152088 WGFCQSNALWHFBX-CVEARBPZSA-N 427.480 0.909 30 20 ICED CC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 554157019 AAGNSCPLTMIJSV-FUHWJXTLSA-N 445.495 0.536 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3nnc4n3CCCCC4)C2=O)cc1 559426274 BWVWPFUGWKWARO-KRWDZBQOSA-N 435.488 0.804 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(c4ccccn4)CC3)C2=O)cc1 559900860 DPBBOXMQOFFPMO-FQEVSTJZSA-N 446.511 0.956 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 560604066 MKDAKMDRNOYQOL-SFTDATJTSA-N 425.533 0.576 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 561121292 MFPYSFFBLIIWAJ-RBUKOAKNSA-N 427.505 0.397 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 563231511 GVYRDALAKYLSBL-AEFFLSMTSA-N 435.488 0.449 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 569749908 PZOMDUKXLXTWHI-GOSISDBHSA-N 427.486 0.539 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 575029162 ZPYMOKBCIGEPQI-ARFHVFGLSA-N 425.555 0.734 30 20 ICED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)C2 585704382 PASQEHWZCZTJHI-MRXNPFEDSA-N 435.488 0.844 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 608911445 FCNWYMGJTISMCM-UHFFFAOYSA-N 428.514 0.212 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCN(C[C@H]4CCCO4)CC3)n2)cc1 610531306 JAVDQULPSNRVHJ-LJQANCHMSA-N 437.504 0.850 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cn2)cc1 615100950 SPZGGEUOQODCBN-INIZCTEOSA-N 429.458 0.964 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)C1=O 726043473 WRKREWNWIUJDHD-LBPRGKRZSA-N 427.413 0.687 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cc(C)ccc3OC)CC2)c1=O 732525824 PAIBCZSYJPJIIS-UHFFFAOYSA-N 441.532 0.636 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3cccnc3)c2=O)cn1 732564772 QECSDSRKGPEOCC-UHFFFAOYSA-N 448.552 0.889 30 20 ICED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 735841474 RGRVSIYOQFIZKQ-RURFIKTLSA-N 425.445 0.877 30 20 ICED C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 735869865 SQEVQEZJZHUENR-QGZVFWFLSA-N 441.531 0.365 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739830019 DOVUTTWLGWRCDQ-UHFFFAOYSA-N 438.874 0.543 30 20 ICED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 749384643 VJTUHYFKBIOGRF-HNNXBMFYSA-N 435.502 0.363 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 749743388 LMOQFKFVGHCGAE-WYOZQYPVSA-N 447.517 0.317 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1 752331397 FBTUNEXTFQYWGO-AWEZNQCLSA-N 429.462 0.893 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)n(CCOC)c1=O 753788339 LNQXVJHJTGGBNA-QAPCUYQASA-N 443.573 0.971 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758078837 BWRFRTVJDCQQMX-UHFFFAOYSA-N 435.427 0.616 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758555606 FXAUGTDAHKCGEQ-UHFFFAOYSA-N 441.557 0.579 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1N 766355763 WPKXINUHFBOAAS-GFCCVEGCSA-N 435.462 0.424 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 771460703 VYLUVYPLYFQTCH-ZDUSSCGKSA-N 434.474 0.536 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cc1 774375777 DMKJOLQRMOLCJA-PGMHBOJBSA-N 436.490 0.413 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCCN2CCOCC2)C1 778334414 KWUKSMRFXKTFRA-MRXNPFEDSA-N 436.534 0.065 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)c1 779405027 NOFFAFUUHSPWIS-SILNSSARSA-N 443.551 0.512 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 784350372 FRNLDRIIMADLSK-UHFFFAOYSA-N 444.469 0.300 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 785073308 LSFCDYUTRAAICH-UHFFFAOYSA-N 443.481 0.835 30 20 ICED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 789921290 KUAOJGSPAKWJJI-INIZCTEOSA-N 430.486 0.801 30 20 ICED Cc1nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 791286127 OPUSCAZRDQPYNB-UHFFFAOYSA-N 432.370 0.942 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)cn1 791288469 RCOXIQOAJNRDSW-HSZRJFAPSA-N 430.468 0.995 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2O)cc1 792413189 QALZYVJSYRNNOW-HAVVHWLPSA-N 431.474 0.855 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)[C@@H]1CCCO1 809304125 FMKKYEOCCWYWMT-ROUUACIJSA-N 433.530 0.433 30 20 ICED C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431764 ORFVQSTVJHPAQI-SJORKVTESA-N 435.550 0.710 30 20 ICED C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813979927 JTHHHCQIKNCJGK-BLVKFPJESA-N 433.490 0.895 30 20 ICED CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1177895090 ZCYPZJWLFCILON-LBPRGKRZSA-N 427.852 0.558 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1286890425 QBUPKTYYFHYFJA-SFHVURJKSA-N 449.581 0.084 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C1CC1 1292126950 VIRPBOQTVXGZGX-GOSISDBHSA-N 442.568 0.899 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1299302561 WJYKKIVMGKKTIB-UHFFFAOYSA-N 433.538 0.574 30 20 ICED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1318395868 UVLKLRMBRQMXAR-ICFOKQHNSA-N 426.882 0.847 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 1468671672 ZUXMUMTUFBAIBV-CQSZACIVSA-N 436.519 0.718 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cn[nH]c2)C1 1505140482 KEJVVMFQOXFMHR-MRXNPFEDSA-N 434.526 0.317 30 20 ICED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1513032128 ZODPKDWTTWRNHE-DOTOQJQBSA-N 436.582 0.908 30 20 ICED COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1519103323 SZXCYIIGVWXKBQ-LJQANCHMSA-N 435.506 0.361 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1554123600 XNKQCIVBQFVYBE-JXFKEZNVSA-N 447.517 0.503 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1710909038 FZPGGZOCCIQOAH-MUUNZHRXSA-N 436.563 0.667 30 20 ICED CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723089414 CDACPQYVRZNNLV-RDJZCZTQSA-N 449.581 0.129 30 20 ICED 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0.690 30 20 ICED Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838819555 ONCXGBDJGRLJCQ-ASPARNDVSA-N 448.520 0.933 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839225355 GZYCPZYUOMKBFN-KKSFZXQISA-N 433.509 0.700 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1839227318 CIKXZYPPVQVBPE-OXQOHEQNSA-N 439.509 0.587 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839227733 XKPBRJJWYDAFIT-FZKQIMNGSA-N 438.441 0.189 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361301 BGKQJSASDFUJDN-QHCPKHFHSA-N 442.516 0.737 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839569259 VHHNZPWRTRHSEX-JTSKRJEESA-N 428.489 0.995 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840550371 SUPWURDMNAJROS-HXUWFJFHSA-N 435.502 0.063 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)CCC1 1840813058 BAICTBSXOQEUEQ-OAQYLSRUSA-N 446.529 0.628 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)CCC1 1840815216 CWLALFGEKKCRGU-OAQYLSRUSA-N 442.451 0.632 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946094 WNPHLBUSTMCILO-HXUWFJFHSA-N 441.500 0.978 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842883954 GVHYUKTURNABPB-OAHLLOKOSA-N 434.541 0.370 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1845254992 WMPHOAUCGYSCEX-AWEZNQCLSA-N 433.534 0.896 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847344530 PULSTHZNSAAAGR-PMPSAXMXSA-N 435.525 0.376 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4C(=O)NC[C@H]4C3)nnc12 431599079 YKRLIJQZDADSNI-ZDUSSCGKSA-N 439.501 0.558 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C1=O 440271655 VCQPHWMGAZKMSN-WMLDXEAASA-N 439.476 0.662 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 441981022 UOIAXCYKCVKXMM-HXUWFJFHSA-N 428.449 0.595 30 20 ICED Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446527618 CMQKJGZVNNXISP-UHFFFAOYSA-N 426.477 0.899 30 20 ICED COc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1S(=O)(=O)N[C@H]1CCOC1 447612023 OMMFBCMQPQDGTP-HNNXBMFYSA-N 431.474 1.080 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 465417412 NRHKTFXQCOYGQK-CQSZACIVSA-N 442.501 0.569 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 466824536 VBKZWRFWCPSXEH-UHFFFAOYSA-N 428.424 0.895 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1 467546484 ADJVXUWHAJPAPQ-AWEZNQCLSA-N 443.525 0.662 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480949913 IRPRZZTUWVALLV-UHFFFAOYSA-N 445.482 0.943 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)C2)cc1 484391188 SRLBYSSGMPAVDQ-UHFFFAOYSA-N 434.408 0.676 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 498977587 HYXXWDPPGRPEJE-JBACZVJFSA-N 448.589 0.714 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 504338960 OUDQZHSRQIVPFI-ZDUSSCGKSA-N 437.499 0.908 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 507922589 KZOLMUZGGBPRKO-VQTJNVASSA-N 434.562 0.326 30 20 ICED C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 523579568 TZMHHVHJPJXOFN-UHFFFAOYSA-N 437.566 0.571 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)C1=O 524963755 KOMGAKPGHIOBJO-UHFFFAOYSA-N 430.442 0.756 30 20 ICED C=CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@H](C)c1cccc(-n2cnnn2)c1 525197163 PDRZICSPSPCKAG-XECGBSKXSA-N 436.472 0.900 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035445 YUGZQBCHGRVMHO-ACJLOTCBSA-N 425.511 0.128 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554694546 LXIIWWOMHVZSQX-QZTJIDSGSA-N 426.473 0.577 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1 562159603 YJOYZDNFGZKZHU-AZUAARDMSA-N 442.564 0.855 30 20 ICED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1noc(Cc2ccccc2)n1 573359472 XAVZLQCZLGXPQP-ZDUSSCGKSA-N 436.476 1.106 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573767027 HUYYNMACAZCGAE-LSDHHAIUSA-N 439.476 0.467 30 20 ICED Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576510504 PIHRRBIBIKUTPU-IRXDYDNUSA-N 434.497 0.299 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 581638266 LGTBWDJCJUKUDL-OAHLLOKOSA-N 426.454 0.680 30 20 ICED COc1c(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cccc1C(N)=O 584500289 AMJORBLSKJTHIX-UHFFFAOYSA-N 428.474 0.718 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 587653623 HPTARTRSQMGTPM-LJQANCHMSA-N 447.499 0.745 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 609340158 JLOPPDVZGCHBCL-UHFFFAOYSA-N 446.533 0.185 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 609931468 ULAAGRUINDGQCI-UHFFFAOYSA-N 437.504 0.963 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 611005586 DKSBXLVBQGRIHJ-GFCCVEGCSA-N 434.396 0.588 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 615945785 FELNBTROHWMHGZ-UHFFFAOYSA-N 430.534 0.790 30 20 ICED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 670231971 HKMIKXMHIWOGST-UHFFFAOYSA-N 437.508 0.691 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 728530463 GMRBMOUUYXWMFR-UHFFFAOYSA-N 438.385 0.932 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1OC 729428903 YHGVOOPESUDPRP-SWLSCSKDSA-N 434.474 0.550 30 20 ICED Cn1c(S)nnc1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730101059 DACFEFPPQDPCFI-UHFFFAOYSA-N 434.547 0.939 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144258 IVNNFVJGOQHCQZ-GOEBONIOSA-N 434.566 0.794 30 20 ICED CN(CCn1cccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732486688 PGLLIWONPQPJAM-XLNRJJMWSA-N 432.506 0.793 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 732563671 LYMZLQNPHGEVFF-MRXNPFEDSA-N 426.498 0.706 30 20 ICED CCc1nc(COc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)no1 734711548 APRPOLHEHSYXAT-HNNXBMFYSA-N 432.458 0.790 30 20 ICED C[C@H](CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742481762 BJUZRFPSYXUBMD-OAHLLOKOSA-N 448.545 0.601 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)n1 745148556 HCZGZALHJVCQEF-JTQLQIEISA-N 429.501 0.817 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 750519320 WWBDQVANMDRKSA-HIFRSBDPSA-N 442.563 0.290 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1C#N 752380171 XMEDKSPODLZYKL-UHFFFAOYSA-N 439.494 0.899 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC2(C)OCCO2)c1 759435711 YWFHVTUFBRGKRN-CJLVFECKSA-N 438.506 0.707 30 20 ICED C=C(C)COCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 762371590 WKILXGNYUJKCSC-UHFFFAOYSA-N 446.570 0.855 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c(Cl)c1 767781988 WBXYAPLMBRMNMP-UHFFFAOYSA-N 441.941 0.705 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 771460701 VYLUVYPLYFQTCH-CYBMUJFWSA-N 434.474 0.536 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)c1cc[nH]n1 789967549 RXLXGTGMVNKENX-UHFFFAOYSA-N 445.480 0.096 30 20 ICED C=CCCN(OCc1ccccc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 793742472 KJBPSAWVRBCTQJ-UHFFFAOYSA-N 438.550 0.216 30 20 ICED Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S 794617407 XPGCXJALRDZLCE-UHFFFAOYSA-N 437.507 0.889 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 803139600 BIJWPWJQJOUXQR-UHFFFAOYSA-N 440.525 0.938 30 20 ICED CN(C[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1)S(C)(=O)=O 803415776 MUANKEGIKWFNLO-AWEZNQCLSA-N 442.563 0.245 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 812279307 OUKNBROUKCLZOZ-CYBMUJFWSA-N 432.424 0.754 30 20 ICED N#Cc1c(CCCNC(=O)CCN2C(=O)CCNC2=S)nn(-c2ccccc2)c1N 816854546 NUAOCXLUOPXLPF-UHFFFAOYSA-N 425.518 0.872 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 839329240 OREKVSAGMQNRTL-UHFFFAOYSA-N 443.529 0.158 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914817111 LLVJAEDUVVHNTG-ACJLOTCBSA-N 427.479 0.900 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)Cc2ccccc2)CC1 915648447 CNFUWVCVTHDWOE-UHFFFAOYSA-N 426.498 0.639 30 20 ICED CNC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 917002695 SFHFLHBEZFJJNH-LLVKDONJSA-N 430.280 0.538 30 20 ICED C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 917155878 IZEJQRSSPGEBCT-INIZCTEOSA-N 442.541 0.933 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 920717924 NZONWCGUKDCDQQ-KRWDZBQOSA-N 426.451 0.861 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H]2CCOC2)C1=O 1251488712 GHTKPFJUQYNTBQ-IAADXIDXSA-N 440.547 0.307 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1299135270 XOITUIFEJHAJNQ-VQIMIIECSA-N 439.520 0.489 30 20 ICED C=C(Br)Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690229978 MGUFTPSOWBXFFX-UHFFFAOYSA-N 427.347 0.730 30 20 ICED COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1697636435 YSNUARZPBJTXAU-HOCLYGCPSA-N 449.537 0.659 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1743385611 RMWUXLYYIKKYFV-KSFYIVLOSA-N 440.504 0.652 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCO1 1748213102 YKJJUWCKUAMCOX-DFYVNMARSA-N 428.518 0.679 30 20 ICED N#CCC1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1770753633 LAOQMXXAMALDSQ-HXUWFJFHSA-N 430.534 0.944 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1777773362 YHOFCLLEQIASET-JTSKRJEESA-N 425.489 0.828 30 20 ICED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2c1CCC2 1777962997 ANFVJTIQQMQDQI-BMUPIEFHSA-N 445.520 0.881 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779311332 OGTLLHSOHRIUKP-OFNKIYASSA-N 442.516 0.472 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446634 YGTXSMFYBKEKMS-MAETVRKBSA-N 439.534 0.647 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1780803205 AKVUWFQSXVTQAP-XBHMSOGKSA-N 435.481 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1781271700 HONUSPHTELVNIM-JOCHJYFZSA-N 432.521 0.919 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCSC(=N)N)CCO4)C3)c2c1 1782194870 OVZQJYFHTFOKAO-FQEVSTJZSA-N 441.517 0.895 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H]3CCC(=O)NC3)CCO4)c2c1 1782195336 YNODGGAAFGKMEJ-OYHNWAKOSA-N 436.472 0.404 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118116 JKBXOQUAHYFHBE-VGOFRKELSA-N 430.505 0.575 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1784371271 QQXIUSIDFPBIQE-HLIPFELVSA-N 437.566 0.241 30 20 ICED COc1ccc2[nH]cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)c2n1 1789189940 CAEOWNBAUHBHGS-NOLJZWGESA-N 426.429 0.253 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CNc4ccccc4O3)C[C@@H]21 1791076748 HSPXCYGWJMMWMA-FPXQBCRKSA-N 427.457 0.317 30 20 ICED 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 1791260934 DIBBNFVCWNUEGT-SPTHLVQHSA-N 436.534 0.291 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1793350022 WHCDVXWQHPJKQF-BCEDRHLLSA-N 433.436 0.904 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1793354664 IYVGEEHCDRVOSF-UGNRZPKXSA-N 444.532 0.713 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1793361569 PUFVLPHNLCQSBD-OJVCSNARSA-N 426.517 0.933 30 20 ICED C=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]1[C@H]3COC[C@H]31)C2 1793599852 HRABQHSDWDSXCG-HZFWPQPFSA-N 449.548 0.938 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)cc1 1794973661 UISPGRYSRBTNEI-XEMDLRDOSA-N 448.483 0.210 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](OC)c1ccccc1 1795168503 MWNGYOHOYMCIPJ-IPVZBFIUSA-N 427.501 0.822 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795351846 PBDNYKZRYARMDI-RUNXZISMSA-N 427.509 0.350 30 20 ICED 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](O)C1 1795420080 YYVMWXXCRCOZJQ-IWSXDTNSSA-N 436.509 0.108 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796275407 JYNUJMTWNONSRX-JLVBRIDZSA-N 425.493 0.214 30 20 ICED COc1ccc2c(c1)CC[C@H](CC(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1797216243 ASISZGCNDCDXLY-RUFNJRMLSA-N 440.496 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889277 GDHNZZGRJYZQBX-JLVBRIDZSA-N 430.461 0.119 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798355404 YJBJECXYISBADD-LXTVHRRPSA-N 433.465 0.189 30 20 ICED 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[nH]1)C2 1802125067 NPFYCINPFXVBPX-IVSAIRAKSA-N 431.493 0.530 30 20 ICED C#CC[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 1802125497 XDBISACFQBDPHZ-FZKCQIBNSA-N 439.509 0.112 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1802326916 LARRZPZMWHRYHP-IQZZBHSASA-N 425.482 0.769 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2c2cccnc2)O1 1803647365 ZYFNHJUQOOZWKT-ZWEMHGAESA-N 445.476 0.725 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)[C@H]1c1cccnc1)C(=O)O 1807206217 RGXJUVSVBQWYQT-XZKMEQPCSA-N 433.509 0.951 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807624361 SHTFWLCTFYYUKM-AVRDEDQJSA-N 446.471 0.725 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814473785 GATWHKQOIVHKLP-TZMCWYRMSA-N 434.474 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](NC)C(=O)O)n[nH]1 1817363937 ZDMUTWJDTACJLF-CYSIVNQBSA-N 432.481 0.323 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819468325 RHACNOSFUMSPRZ-XEGUGMAKSA-N 440.522 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCOC2=O)CC1 1823745783 NMQNKDBYTDZIGP-HPFMTEOYSA-N 432.521 0.917 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2)C(=O)C(=O)O 1824673809 PFFJYQQOLZPZAT-SNVBAGLBSA-N 430.446 0.112 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828806019 ILGSAVUJIHRICY-JOCHJYFZSA-N 441.488 0.440 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(F)F)CCN2C(=O)OCc1ccccc1 1828852504 ILCMUFHHFVWLDH-NRFANRHFSA-N 449.410 0.792 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906206 WOUMKRHXDMXMMH-WMZHIEFXSA-N 440.500 0.178 30 20 ICED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830022085 OVCCBVAPOJNIGT-JOCHJYFZSA-N 441.488 0.930 30 20 ICED COc1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ccn1 1831209533 WEUYYDLUHVIIMX-QHCPKHFHSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1831402190 QCJSJQQPGMJUAG-FZONSQQESA-N 448.516 0.237 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831488680 ZLMYREZMLCXYQJ-OXQOHEQNSA-N 433.534 0.754 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831491215 ZYAKUVMWNZYAFA-OXQOHEQNSA-N 433.534 0.754 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1832289342 HEQUTBVNSBWVIT-QHCPKHFHSA-N 427.501 0.363 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168561 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1837394552 CPGARSMUQWWRDO-HRAATJIYSA-N 436.509 0.072 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837399311 QMWOXUUHMQXFTF-FOIQADDNSA-N 438.912 0.773 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837445115 DRQNWMCVRJOPOH-XOBIUNJKSA-N 447.536 0.703 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837488725 NRRXQEIQFKFEDH-HSZRJFAPSA-N 444.532 0.497 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838493891 HKSMDXVAOAWLMT-QHCPKHFHSA-N 435.484 0.955 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1838581998 ZDQDMDOCPZPDIC-SIKLNZKXSA-N 426.473 0.165 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)c1 1838582638 XGRVJMHOQHJGGB-JOCHJYFZSA-N 437.456 0.741 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1838583556 IJEWVJWTILPXKM-QTDGGUCWSA-N 441.484 0.529 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1Cl 1838597861 AIFCMYJARJRVMZ-QVKFZJNVSA-N 446.891 0.418 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c(C#N)c1 1839131515 IVWFKCMOILFMAZ-JOCHJYFZSA-N 439.472 0.603 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839647511 JCMNCNMJPLKQFL-NLMIPJBGSA-N 447.532 0.181 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1840040990 JWCDLMZGLMNVBH-SFHVURJKSA-N 425.800 0.032 30 20 ICED C[C@@H](Sc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044106 LBZSUSKXTHZLJA-QRWLVFNGSA-N 433.486 0.107 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840246286 AQJHKORTRZENNH-CCKFTAQKSA-N 432.876 0.877 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)CCC1 1840814418 IKWQUCXJEWVLSV-HXUWFJFHSA-N 442.501 0.850 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840842618 QKQYTSDHAVCEIC-FGZHOGPDSA-N 427.457 0.591 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282059 WKTTUMFGONFCCE-MRXNPFEDSA-N 425.551 0.216 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)COCCOCCOCc1ccccc1)C2 1846197007 JTPRLQAWRKMIOJ-UHFFFAOYSA-N 444.484 0.528 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 16558093 YDAIUFADFBSFJN-UHFFFAOYSA-N 429.454 0.781 30 20 ICED CN(CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 24685878 ODDFNAJRVWUEHC-HNNXBMFYSA-N 428.536 0.109 30 20 ICED COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 434794720 NRDFBCAAAHSWIO-ROUUACIJSA-N 436.534 0.175 30 20 ICED CCOCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C#N)s2)c1=O 439871055 ITCBRAGHVKSZSB-UHFFFAOYSA-N 431.539 0.584 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 461305218 GIBNMVLRMDFFCZ-UHFFFAOYSA-N 447.440 1.111 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CCC#N)CCN1CCOCC1 471233038 AYKUUSGQAYAVKM-INIZCTEOSA-N 435.550 0.159 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)cn3)c2=O)cn1 474330190 PHERYLJSIUEWPB-UHFFFAOYSA-N 438.513 0.085 30 20 ICED CC(C)(C#N)c1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 476072534 OJWGKAWYTOYKOH-GOSISDBHSA-N 432.546 0.549 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476727311 DDMUUOALURIOAX-OAHLLOKOSA-N 444.513 0.999 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 487777761 RAMKIAFNXMVOCV-MRXNPFEDSA-N 429.564 0.941 30 20 ICED NS(=O)(=O)CCN1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 494412540 LMPCCRFZOLZXCY-UHFFFAOYSA-N 440.525 0.458 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 501245280 XECVRRFFEKUSRE-RDJZCZTQSA-N 436.534 0.568 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2-c2ccccc2)CC1 502050066 IWGXDPFTIWMHST-UHFFFAOYSA-N 448.552 0.300 30 20 ICED COc1cc([C@H](C#N)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505482475 ZCRSGZTXLIPTLQ-DGKBOYHPSA-N 443.456 0.946 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscc2Br)c1=O 505665814 VHZVASNTLVKROA-UHFFFAOYSA-N 440.344 0.633 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 506906930 DSOAALOEDGAEBQ-UONOGXRCSA-N 432.506 0.412 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 517749661 WYEAALHTIMAPOO-MRXNPFEDSA-N 428.532 0.523 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 525431308 AJQNMKKROODQOM-UHFFFAOYSA-N 436.468 0.786 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c(=O)n2C 531353775 ZDTITDIUBXCQIC-LBPRGKRZSA-N 436.350 0.713 30 20 ICED COc1cc(C[C@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 555058365 KPBSDSKHYKZBIL-KRWDZBQOSA-N 447.513 0.821 30 20 ICED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 555240539 LQSWRNHXPKFZQE-DLBZAZTESA-N 440.570 0.651 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1C#N 569653981 WYQORLHDKWHDLB-UHFFFAOYSA-N 428.474 0.475 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 577632907 JADHTXPGDVSQJW-UHFFFAOYSA-N 431.449 0.954 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 579040196 GWOUIPLSAAWXPH-JKSUJKDBSA-N 437.422 0.502 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c1 583842215 IXXIZOCVPNFLBO-HXUWFJFHSA-N 442.541 0.896 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)c1 589488267 OOACUNQLVOWZMH-UHFFFAOYSA-N 448.526 0.693 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 726334052 QSWBFYVSJPFOIR-FQEVSTJZSA-N 441.469 0.725 30 20 ICED Cn1ncc2c(N3CCN(CN4CC(=O)N(Cc5ccc(C#N)cc5)C4=O)CC3)ncnc21 726585360 RFWAMKRNOBIPST-UHFFFAOYSA-N 445.487 0.779 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)c1 747957869 VCVOHFACFJCRBE-VRTBNJGNSA-N 443.460 0.635 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cnnn2C)C(=O)/C(=C/c2cnnn2C)C1 751033403 YQTBSHGEFFOCDG-FUJGBLOQSA-N 443.493 0.024 30 20 ICED COCCN(C(=O)CON=CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 754278332 SULIFKMWZKFJLR-CYBMUJFWSA-N 433.433 0.568 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 758075482 IIEQQUCAZZPSEZ-CYBMUJFWSA-N 445.928 0.859 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C#Cc1ccc3c(c1)OCO3)C2=O 761214592 JJOPPVNPRWZGRM-UHFFFAOYSA-N 427.413 0.842 30 20 ICED Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 766592638 MJZRVUKIUVDYCT-MOPGFXCFSA-N 448.487 0.985 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 769106971 UQLJAFUZRZTHJC-ISLYRVAYSA-N 429.481 0.623 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CC=C 774512299 RHXRVEUOMWCJNN-UHFFFAOYSA-N 434.521 0.810 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 787003364 WUFLJPPFICFFFD-UXHICEINSA-N 440.500 0.920 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 787715352 VCLDSZDZLQFNPY-QGZVFWFLSA-N 448.545 0.796 30 20 ICED C[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCC1 787739768 RGIRWGXNQJODNI-SMDDNHRTSA-N 429.882 0.473 30 20 ICED COC(=O)[C@@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(C#N)c1 789120827 XNUUDQDSPCHRQI-MGPUTAFESA-N 429.429 0.931 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)n1 789788432 RLEFRCOPVDPWRC-UHFFFAOYSA-N 446.529 0.983 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3occc3c2)c1=O 795186723 AGHQUXDEOGIRAQ-UHFFFAOYSA-N 439.493 0.664 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(F)c1 802562494 OZVOIWAGQVMRJY-NSHDSACASA-N 428.438 0.897 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 802573384 ASYDSGSWLCOSLB-KRWDZBQOSA-N 442.422 0.604 30 20 ICED COC(=O)COCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 803804684 CGFHKUBFGBGAHF-UHFFFAOYSA-N 432.389 0.188 30 20 ICED C#C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccc(Cl)cc1F 805779566 ZSMKZQVFSIYOAX-OAHLLOKOSA-N 434.859 0.825 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 810392707 FGYGYLZFYFVQBU-LLVKDONJSA-N 444.263 0.945 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCc3sc(Br)cc32)c(=O)n(C)c1=O 814883533 QRGKACLXTBUPOE-UHFFFAOYSA-N 447.336 0.927 30 20 ICED COc1ccc(CN(C)C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821722623 HWPWWDSOGDAIOR-UHFFFAOYSA-N 431.470 0.936 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1 918239566 XJXDABDALUEPIZ-QJOMJCCJSA-N 449.533 0.567 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)CC2=O)cc1 1116820335 ZMRMYIOJTMDJHJ-QGZVFWFLSA-N 434.456 0.593 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1261914028 QHBGXACPTCCODX-QGZVFWFLSA-N 433.534 0.642 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1296288761 JMZFPVRJUGUSGC-UHFFFAOYSA-N 434.508 0.252 30 20 ICED CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1303298348 QYADMNZPSKNFAM-KRWDZBQOSA-N 431.541 0.478 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[S@@](=O)CC 1314393315 FBZUNBPRHUAXKA-JGVYIQDASA-N 432.554 0.960 30 20 ICED Cn1nc(S(C)(=O)=O)c2c(=O)n(CC(=O)Nc3ccccc3SCC#N)cnc21 1321310747 DTRBKPMIRSSNKD-UHFFFAOYSA-N 432.487 0.788 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)CC2=O)cc1 1325053204 XMWUHALLVLTERP-IEBWSBKVSA-N 446.529 0.564 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)cn1C 1340530458 XUYBXYVMWJKOTN-UHFFFAOYSA-N 432.506 0.847 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1360287530 PDXBHBXJXLUWNQ-UHFFFAOYSA-N 432.488 0.998 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1516232876 UWFQCSOGTGHAPP-UTKZUKDTSA-N 426.477 0.806 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1541074960 VVMZFIGKQAUPKZ-SFHVURJKSA-N 446.533 0.593 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1547780810 MLYCWJGORQZHHI-QGZVFWFLSA-N 441.521 0.512 30 20 ICED C[C@H](CC(=O)NC[C@H]1CCCN(Cc2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1623858365 WKIXBYDBRZNKRR-HUUCEWRRSA-N 446.533 0.915 30 20 ICED N#CC[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1625126284 JWMCKVLPSQKFDB-SJORKVTESA-N 425.532 0.345 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1697011583 PXGHRVNSJSGMCF-MRXNPFEDSA-N 443.533 0.713 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706748823 ZJTNJMLOKXNHPQ-QLFBSQMISA-N 444.583 0.343 30 20 ICED COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1712149199 UWJLVKUSNHJDLM-KRWDZBQOSA-N 442.524 0.671 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 1746647900 SWCMRTIVNGWLIB-TXPKVOOTSA-N 440.570 0.950 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778161709 JXPIZKICCYISPY-SBUREZEXSA-N 442.516 0.761 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019507 PWNVVMRRRQNWQK-CCLIMJOLSA-N 429.525 0.579 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060771 KLWFYJYITOOEDI-LAUBAEHRSA-N 440.562 0.196 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779104116 GBHPQKYFDRVJCA-ACSNGNGWSA-N 442.476 0.930 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134362 GXUMXEWKBJAQHA-CJYHMYKKSA-N 425.507 0.209 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccccc2=O)C1 1779518510 ARNWWPTZNZFAMJ-FZONSQQESA-N 429.517 0.962 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)c1 1780331362 RTCZFUDCBRYAAC-OAHLLOKOSA-N 432.330 0.685 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1780733758 DDJPMCBKYVUQIP-DRSNIGMVSA-N 435.521 0.536 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781170923 FOUJGIKYNWRQJV-HJPURHCSSA-N 442.516 0.854 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781270579 QEGHTFXMPKZHJZ-RETMYHCQSA-N 437.493 0.855 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1OCCO3)C2 1782010432 UNMCMLJLCMRYEF-VGOFRKELSA-N 428.441 0.673 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1782640261 GZHPIESEGUPMCJ-OAQYLSRUSA-N 429.546 0.415 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1783198378 HOPCXZKJFQCKHW-APWZRJJASA-N 439.463 0.498 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783932473 YYSSMYCVYGLQPQ-YADHBBJMSA-N 445.472 0.383 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1784486185 ZJDUISGSKQWZPL-AESZEHBQSA-N 444.513 0.388 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cnnn1 1784598214 PZRILNQSHCUXPY-VBKZILBWSA-N 427.440 0.317 30 20 ICED CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)o1 1785886442 QMZPGMHXEVOTCT-VVGRQVDHSA-N 449.508 0.863 30 20 ICED N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786849903 UQYNFWVQLCHXCD-NPBBXORBSA-N 441.554 0.512 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603882 XOMVUWIRUAJBTG-QIJPQZMQSA-N 438.525 0.054 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790268541 RGEMUQYPTXCKEC-OWQGQXMQSA-N 444.444 0.342 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1792145194 LGCYALSJGHZFLI-BJLQDIEVSA-N 435.484 0.949 30 20 ICED O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1 1792945722 NEACSQQNEVZEAJ-ACDBMABISA-N 433.936 0.616 30 20 ICED COC(=O)c1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793094332 NIWYEYMZJLZQSO-VPTLXERWSA-N 428.441 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)c(C)c1 1793651835 WMJLSQCLQKIUCV-BSQMBTRLSA-N 441.528 0.994 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cncn2)C3)c(O)n1 1794491263 ZKGXILTUIUONHL-GGXPGOJBSA-N 440.504 0.962 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)O2)C1 1795077314 BWMAPJWSAVMTRM-KYHPRHEASA-N 448.520 0.658 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1797713087 FZYZHOQYTJUMHW-WQDJSCAQSA-N 427.501 0.958 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1797784141 ARJZZCVOSJKDLJ-IIZPIQPGSA-N 442.468 0.123 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)cn1 1797838659 KIHNGDDYVODJKK-WSOVOLMPSA-N 440.456 0.784 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798493935 VCZCMVMIRCODJY-BMQTXXJKSA-N 428.489 0.226 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 1798921226 SNVDVEAOWOBEMJ-RZXSNQJFSA-N 425.533 0.397 30 20 ICED Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)cn1 1799327584 ZNPWSUDHKOIEIJ-OPMZPASUSA-N 425.464 0.806 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C=CCN2)C3)N(C(=O)OC(C)(C)C)C1 1801103947 NQCKNSVTRITBKP-PJVZLEMVSA-N 446.548 0.670 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CC2=O)c1 1801987830 KWYKDOFGUFJVJC-ONIAQPFYSA-N 439.468 0.774 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2nnc3ccccc32)[C@H]1c1cccnc1 1804020512 QQDAFPOLEGTBIN-OPAMFIHVSA-N 432.440 0.620 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804191296 ZZHUMUNMWFTKHY-GHTZIAJQSA-N 446.467 0.825 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807145899 RPSDDYWADRJBKQ-PKOBYXMFSA-N 440.552 0.209 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1807205446 LBRUKLVTIYRNJT-VXNCWWDNSA-N 432.521 0.723 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1810245618 AXCGDOVPNVHIRX-LSTDLKDCSA-N 431.537 0.253 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817358370 PNPSSPCDBBZNOG-OGVCLXNGSA-N 432.529 0.466 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)C#N)CC3)CC1 1818890579 VBFDPONWKQTOEH-CQSZACIVSA-N 432.550 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCn2cncn2)n[nH]1 1822679732 SRWNCPKCQXLXNT-WLMCBFPDSA-N 426.481 0.942 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536434 OJQPFHVPKORLFQ-DOMZBBRYSA-N 431.518 0.885 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830297393 YKSKJGLKYPIEMU-BTYIYWSLSA-N 438.525 0.906 30 20 ICED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830525512 APOXADPFGFGKNK-UWJYYQICSA-N 427.461 0.275 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831188276 LQIWMMORBMSGSP-OPAMFIHVSA-N 428.489 0.543 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831209127 IERMDISBGSKRPM-QFIPXVFZSA-N 426.473 0.523 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1831394182 YSEKORJAYPKMMI-BOCKYXSRSA-N 427.501 0.690 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1831396330 JRXHWPNXJSJSDH-IVZQSRNASA-N 444.463 0.810 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831425838 FMZQFDGVILFYQZ-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1832453322 UVXLQIKFVYTDNL-NRFANRHFSA-N 449.529 0.842 30 20 ICED O=C(CCc1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832812488 GDISIUBWOZWPGM-IQTGRTGDSA-N 429.477 0.511 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nc3F)CCO2)C1 1833262803 VZLBCVFLZDMZRJ-XOBRGWDASA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834575223 TWGKCVYMCHOQSP-VGOFRKELSA-N 431.489 0.507 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CCN4CCCC4)nc3)C2)C1 1834760014 DHEUTRIGPIRFCS-HSZRJFAPSA-N 441.532 0.704 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834949491 NYGMZUCQWVJSAV-QHCPKHFHSA-N 444.532 0.804 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835434602 IFUOSVQRNQBYMR-FQEVSTJZSA-N 434.880 0.370 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4ccc(F)cc34)CC2)CC1 1835590802 JHJZUVMRIMBXPS-UHFFFAOYSA-N 441.463 0.975 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1836667797 YGHAQICVNVEXFG-BTYIYWSLSA-N 435.546 0.962 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837675926 DHEQCWQPVUCHHU-HXOBKFHXSA-N 442.516 0.933 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1838665936 BFRINTDZOXTWNX-JOCHJYFZSA-N 439.472 0.739 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839173593 AMLLJVDXTCWCJM-OAQYLSRUSA-N 449.508 0.438 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1839364333 YWCOQRZGBPUPKW-JOCHJYFZSA-N 438.488 0.504 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCO2 1839396657 CBABKLXRNDWPCD-QFIPXVFZSA-N 438.440 0.235 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2)c1cccs1 1839721162 VMZYYRIZHCIIDT-SHTLVRLNSA-N 444.513 0.909 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1839805859 SZCQHSXJKZRYFG-HXOBKFHXSA-N 441.484 0.138 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839888142 AESQHTWVJMPEEU-QGZVFWFLSA-N 443.407 0.459 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840182113 WRLFVJPJDBKBKI-QZTJIDSGSA-N 434.436 0.270 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840279012 GEJXDRORTSSTLR-YCRPNKLZSA-N 436.530 0.790 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840482867 DQYFAMZRZDUFRL-VGSWGCGISA-N 433.505 0.237 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3NC(C)=O)CCO2)C1 1840723126 OBIMCWUAEXSMTJ-UZUQRXQVSA-N 443.500 0.753 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841582691 PVIAWMVOKRKHRU-ABOJNYCISA-N 430.527 0.047 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)c1 1844258571 SANSEZXSJNAUJG-LPYMAVHISA-N 433.534 0.774 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(c2cc(OC)ncn2)CC1 1847667951 VQWOBFCPBJTQTJ-WDSOQIARSA-N 441.532 0.942 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1 10453821 GKPGOBZIPVOQHE-UHFFFAOYSA-N 426.498 0.750 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 24429284 BARIJAJSAAHHTK-GFCCVEGCSA-N 438.535 0.398 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)C[C@@H](C)C#N 409579094 VVUPEIAJMFMDLI-DOTOQJQBSA-N 426.539 0.501 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)NCCN1CCCCCC1 432433791 AFKUFBPELDQPRQ-QGZVFWFLSA-N 428.541 0.561 30 20 ICED COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 434794717 NRDFBCAAAHSWIO-MSOLQXFVSA-N 436.534 0.175 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)cc1 438414731 KRRUUUUOKREWQB-UHFFFAOYSA-N 436.515 0.697 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 439941750 YTRSSNLGGRBGEL-YFTGLANFSA-N 449.485 0.177 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)C1=O 440273596 OYEBBXWTPQXSLB-KRWDZBQOSA-N 434.518 0.677 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3cc(C#N)ccc3OC)C2)cc1 441583886 GDNDFROCGJTNEI-UHFFFAOYSA-N 444.469 0.703 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 443025071 JMECWKGHMQDHGM-BFUOFWGJSA-N 446.510 0.629 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 465274805 MONIFYQMYMLEQV-CYBMUJFWSA-N 437.416 0.719 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 467946548 ANAKVJIQWQNKQX-FQEVSTJZSA-N 434.518 0.560 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)c1C#N 471689186 QJBTZRLUWAFWCQ-UHFFFAOYSA-N 447.499 0.321 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 476275422 UWWMACXQVIGYNK-HNNXBMFYSA-N 428.518 0.878 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CCSC)c1=O 478870647 XQWJZXUTVHJTEA-AWEZNQCLSA-N 432.571 0.988 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265945 OZEBLGMOARKWOF-WOJBJXKFSA-N 438.532 0.607 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 491044442 DKDBMPDBEPRWEZ-UHFFFAOYSA-N 438.492 0.060 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 499100663 MECNGMQBJIHJDR-QGZVFWFLSA-N 430.461 0.162 30 20 ICED Cc1nn(C)c(N2CCOCC2)c1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 506134907 FNKDSMWHHBVGEH-UHFFFAOYSA-N 444.561 0.943 30 20 ICED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508859439 VSMQABPTKQWPRH-UHFFFAOYSA-N 432.492 0.872 30 20 ICED N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 510902127 JOFYNRFDJLUHLB-UHFFFAOYSA-N 439.469 0.755 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 514491184 UXGNDFBGRMIWOZ-UHFFFAOYSA-N 444.582 0.566 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)c1 524017362 INGZLTRSOBURAU-UHFFFAOYSA-N 446.485 0.746 30 20 ICED COc1cc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1OCC(N)=O 537706706 UALSXUDVLDBXMN-AWEZNQCLSA-N 426.477 0.940 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 561706606 HZSNVISTSFFASP-APWZRJJASA-N 441.532 0.079 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccn1 566760801 VSZIBSXKGMPZHK-UHFFFAOYSA-N 437.504 0.254 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 612222573 IYNGUDBWFPFKCR-GOSISDBHSA-N 429.521 0.760 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 618640062 OMEZLDBZCAQZDO-UHFFFAOYSA-N 435.509 0.219 30 20 ICED C=C[C@H](C(=O)OC)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 619716607 PXBQXJINEPXTHH-OAHLLOKOSA-N 445.925 0.959 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 728536140 LPNRVZUQQXWOTA-KSFYIVLOSA-N 431.537 0.017 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O 729672999 BOLSCYNREOYUEH-UHFFFAOYSA-N 439.584 0.352 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1OC 746180932 QZIRVURKUOPZAO-VZCXRCSSSA-N 442.472 0.905 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2coc3ccccc23)c1=O 746598683 ZONIVPZDCXKXLD-CQSZACIVSA-N 441.509 0.957 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749867539 AKSGFUDFZYHEHZ-OAHLLOKOSA-N 444.557 0.907 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 751445110 KOODMARQESVAGP-KRWDZBQOSA-N 441.575 0.179 30 20 ICED CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCOC2)C1=O 751683721 KDPDYFZGDBQXQT-IAGOWNOFSA-N 447.561 0.964 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCC(=O)N(C)C)C1 752740991 TZQQIJAXLBQBHR-MRXNPFEDSA-N 436.534 0.455 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NC3(C(N)=O)CN(C(=O)OC(C)(C)C)C3)CC2)o1 753074773 JWQWHMSNGGWUOH-UHFFFAOYSA-N 432.481 0.662 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cn2)c1 754259553 RZBWJVLTEZIAIW-UHFFFAOYSA-N 432.281 0.669 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n(C)c2n(C)c1=O 756882217 FNUJOXWEGRYJPY-WCQYABFASA-N 430.465 0.065 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 757578591 PBKOPNLMTJPXTG-GXTWGEPZSA-N 434.474 0.706 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(SC)c(OC)c2)c1=O 758061188 XPTWGINISGKAHC-UHFFFAOYSA-N 443.550 0.539 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)Cc1ccccc1 765102521 TZKCWILGIYQPPW-OAHLLOKOSA-N 435.527 0.956 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 783462797 TWMHWLNXGFDWKE-UHFFFAOYSA-N 431.246 0.823 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCC4(CC3)OCCO4)C2=O)cc1 787409734 PZGKSVNBOGALKH-SFHVURJKSA-N 426.473 0.972 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 792660429 VQIQPROADZBPJW-LJQANCHMSA-N 445.479 0.972 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800778107 ZWLFZDUQSLGGAR-CQSZACIVSA-N 440.551 0.098 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)Cn2cnc(C#N)n2)C(F)(F)F)CC1 801558135 SSPOVZASGFCCJU-GFCCVEGCSA-N 431.419 0.750 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 807468865 BXMADVZGGYLQGS-XLIONFOSSA-N 436.516 0.887 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)C)cc1 808963266 YABZNTRRRGPVFM-UHFFFAOYSA-N 431.536 0.371 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812983739 FKBIZWUZMQWZOJ-UHFFFAOYSA-N 447.495 0.635 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838819186 QRBNBEPRBLMWSE-HNNXBMFYSA-N 437.525 0.595 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 1116935715 LOTSBWIKAVZPPK-HNNXBMFYSA-N 443.595 0.761 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1251843060 NUVUZXUYKRSYHV-SJORKVTESA-N 430.486 0.941 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1307858809 UVVXMJPQNNMHKH-RBUKOAKNSA-N 445.495 0.288 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)[C@H](C#N)C1 1321048702 MRFOIVZGTYDCME-HZPDHXFCSA-N 436.513 0.525 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1359477462 YMTLJPYYWZLFGD-HNNXBMFYSA-N 425.493 0.909 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1508376385 UKWMURRRLNNDAT-LJQANCHMSA-N 437.504 0.684 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1519530619 PCJKRUCRYBXAPC-QFBILLFUSA-N 433.513 0.987 30 20 ICED CC1(C)NC(=O)N(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1522495401 RGJNIPNQCSYDEK-UHFFFAOYSA-N 435.506 0.342 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1541935494 OTRNVPUSKVVQGU-BDJLRTHQSA-N 433.485 0.400 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)n1 1543066872 KTWIIFJOOZHEDU-IAGOWNOFSA-N 433.538 0.836 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705747741 TWQSFJRANZBINQ-CABCVRRESA-N 432.978 0.799 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1729559010 OIJBSJHKGGDBSJ-UHFFFAOYSA-N 429.506 0.991 30 20 ICED CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729841813 ZVHMUSZIWUVGPS-HOTGVXAUSA-N 439.524 0.812 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCCN3S(C)(=O)=O)CC2)c1C#N 1762400302 PYXLPMUQRAHJPR-MRXNPFEDSA-N 447.569 0.251 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1777830851 MSJGXMCGXIEYFO-JOCHJYFZSA-N 447.455 0.762 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100904 FVTLRAICYXPLPR-SOLUKRORSA-N 449.508 0.502 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COCCO)C3)c1 1780091324 CBWPCEDXQZKZPU-DENIHFKCSA-N 431.489 0.703 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1780176260 QTRBGGQKUOVHOL-AOMKIAJQSA-N 426.473 0.537 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c(C#N)c1 1781174718 PZQDNQGNRWOHHH-QHCPKHFHSA-N 435.484 0.972 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1781302298 MDNIAQQISODMGW-YCRPNKLZSA-N 426.452 0.922 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1781791658 JMDBBZBUZALMIY-NTKDMRAZSA-N 439.560 0.832 30 20 ICED COc1cc(F)ccc1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015450 BAJIHKIDJFDDFA-XMSQKQJNSA-N 432.448 0.979 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197058 YBBUWZBXXIFXBO-FPTDNZKUSA-N 436.472 0.569 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1782704995 DUGWAEKCIGKUBO-YWZLYKJASA-N 426.466 0.887 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)CCO2 1783053110 NXXZIOADTNLYFQ-QHCPKHFHSA-N 437.496 0.545 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783136886 MOTITJGHKFHDDO-IIBYNOLFSA-N 438.525 0.422 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784453663 NHFGUUWOYINDPI-LNLFQRSKSA-N 449.529 0.351 30 20 ICED Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1785371612 XZLQETBTXLCHDH-QVUWHEGYSA-N 433.509 0.700 30 20 ICED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)cn1 1786241050 FESNBHRJXWWMLF-ZOBUZTSGSA-N 430.509 0.360 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]3C2)c(O)n1 1786740729 SRVBZWUPBPUICN-WBAXXEDZSA-N 430.505 0.587 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788564658 HJUNLBGRVDEVRE-JUOPUIBFSA-N 436.557 0.145 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c1 1789766277 GMQFMSILBMMBPV-QDQHPCLDSA-N 426.517 0.630 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)c(C#N)c1 1789839697 XTLDGZYVXLAIPF-VDGAXYAQSA-N 438.488 0.381 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 1790246772 AHJLDNFWDNALRY-LGYWMIHWSA-N 437.500 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1792563967 HMFZEFJQGWARDG-BDNPTBKVSA-N 433.534 0.285 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)c1 1792832335 ASEMFOLJPAYRTQ-IRJINJETSA-N 434.496 0.942 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cn1 1796074754 ZRXAXLAADVQJOW-XEMDLRDOSA-N 431.514 0.243 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797516124 HCVOUPOVDMUAMA-FAQVEIGNSA-N 435.484 0.983 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1797706498 BXUIBQKQVSDSSA-CXHZTBPHSA-N 447.561 0.804 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797712173 SMBKJERRESCNSS-XRGAULLZSA-N 431.518 0.863 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797740556 RMVYCYPVAIFTCO-FTBGXLHUSA-N 429.521 0.694 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1797744201 WQDUXBATWTYNRG-COHUGYILSA-N 425.493 0.633 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCc1ncccc1-2 1798475238 NWKGBVHLRVURIK-MFCZKXCZSA-N 449.511 0.812 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl)n1cnnn1 1799753821 QQIFJFZVHNHLRC-DPYKFYPSSA-N 429.868 0.663 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1803567465 VXKINQILYBYCPX-WMEZAQDKSA-N 434.493 0.743 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963858 XBNBWENERISMQM-OAHLLOKOSA-N 428.493 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)[nH]n1 1814439223 CSIKPXNPFYNGPA-BYRFQNSZSA-N 428.493 0.786 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1815062606 NFPFTWLPCAXPEV-UMMGLKEPSA-N 435.554 0.120 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2)C(F)(F)F 1825270602 SYYGOWSDOVVHKT-LLVKDONJSA-N 436.456 0.460 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1828884344 YBALCUDHJUBVKA-ZACQAIPSSA-N 434.537 0.777 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050252 LWJMWBBSSOHWMZ-AVRDEDQJSA-N 429.521 0.301 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630210 ZCEDEPNUGWFHMO-QFIPXVFZSA-N 438.488 0.390 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)COC1 1830030725 FEPNKOBIFFUNLU-IDESXIGUSA-N 425.482 0.008 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1830459395 VTTFKHKGOPQNRW-XXBNENTESA-N 440.500 0.226 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830954077 SDPFMAWNNAELNZ-JOCHJYFZSA-N 448.520 0.237 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1831207999 FUKKIPJLFFUGGI-HSZRJFAPSA-N 443.569 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1831393459 MHOWKKVQDBNKHI-ORAYPTAESA-N 427.404 0.721 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1831402674 OPOUYZACSFLLPJ-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831425286 BRDBSOIZPLUXIZ-NSDLYDKDSA-N 439.509 0.563 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831435737 XWFDCDQTTGJESI-HTAPYJJXSA-N 428.489 0.995 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831490787 LLPHEXQHYQUFII-OXQOHEQNSA-N 433.534 0.982 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370915 NACXOGUSBDLDBT-APWZRJJASA-N 426.539 0.005 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CNC(=O)c4cccnc4)CC3)CC2)CC1 1834599915 BHFMSMKPFWCUSC-UHFFFAOYSA-N 438.532 0.687 30 20 ICED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c(O)n1 1835065587 VDPCPFZLOHFGHD-FQEVSTJZSA-N 444.580 0.377 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1 1835068605 LRGPIIRKKQFEDT-KKSFZXQISA-N 426.565 0.785 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1835098702 OOSSLNJZGZQANE-QFIPXVFZSA-N 438.440 0.010 30 20 ICED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835233982 KHUROTSPVLUOGM-NRFANRHFSA-N 427.461 0.541 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4nonc4c3)CC2)CC1 1835322594 MDOFRXYFVZUJSN-UHFFFAOYSA-N 425.445 0.496 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835602223 NQPFEISNVBAQSP-JWNTYJGQSA-N 444.532 0.767 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835732509 ZMINJHRPLJECHQ-HKOYGPOVSA-N 448.612 0.362 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835918989 ZWMJEJMMLOJANP-VGOFRKELSA-N 440.504 0.503 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1838042007 LLLGKAFJSPUYJH-JOCHJYFZSA-N 446.552 0.334 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838063113 UBAMDSKNAPYODI-OAQYLSRUSA-N 444.875 0.890 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628807 XFPQDVCXEUUECL-OAQYLSRUSA-N 445.428 0.807 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1839451105 ZWZQHRPFHGDDAE-JOCHJYFZSA-N 443.504 0.208 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650953 CSLHNUTVNKALNU-JTSKRJEESA-N 448.520 0.144 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)CCO2 1839804578 YBDCQHZUTXRFBD-HSZRJFAPSA-N 441.484 0.345 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840042799 OQQGETFWAOPEFD-JOCHJYFZSA-N 448.447 0.311 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1840161285 JOUOEOXQMRMGTP-PDPGTCGWSA-N 431.514 0.797 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201397 QOHKMGHZHOLSSC-LJQANCHMSA-N 447.454 0.890 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270332 RAQXIAMTKYLJGZ-XBGZXYMUSA-N 433.505 0.706 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1843325675 USCHYVCMBFWJAE-BFTVFPACSA-N 437.541 0.547 30 20 ICED CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 12905369 WMDFSXXXVAUDEP-INIZCTEOSA-N 425.532 0.604 30 20 ICED C[C@@H](O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 444648200 GPQWSQHZZVCBGW-MRXNPFEDSA-N 428.493 0.453 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 446614901 YHJLHGLDZIWKAB-UHFFFAOYSA-N 436.515 0.764 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 468108223 KPEDYJWGNGGXAY-UHFFFAOYSA-N 445.501 0.845 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)ccc21 471076691 OJXGJNGTRQVGMA-UHFFFAOYSA-N 441.488 0.573 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 478848184 NVZWXEXJGIWMEL-OAHLLOKOSA-N 441.509 0.757 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)s1 479012562 JPLSLZBXOLHBCG-GFCCVEGCSA-N 436.581 0.726 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)S(=O)(=O)c1ccc(C#N)cc1 481651306 PWZAVVQFAXGNAY-MRXNPFEDSA-N 430.490 0.224 30 20 ICED COCCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 482036029 GERHJIJWNYHGCD-HOCLYGCPSA-N 443.547 0.277 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1)C(N)=O 483470590 CFSUCTYCJFUGQZ-ZDUSSCGKSA-N 449.533 0.996 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2OC)c1=O 498474643 PXAWCPJHAAPTSH-UHFFFAOYSA-N 430.461 0.220 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#Cc1ccccc1 514935347 DTMMYZJDLAUUMW-IBGZPJMESA-N 434.539 0.936 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)C1=O 521260869 MJAVTSVSWBQOSM-DLBZAZTESA-N 432.521 0.668 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523179264 IILQLRYFVKFGGN-MRXNPFEDSA-N 449.536 0.597 30 20 ICED CN(C)c1nccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 525494630 IRDYQUXSJYJHQB-UHFFFAOYSA-N 443.533 0.384 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527279828 BXQHVNCJCZVUPR-CQSZACIVSA-N 443.550 0.616 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 532452583 KGYNIRWWEQAQGT-LBPRGKRZSA-N 427.442 0.920 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)C2)nc1 553244624 WYOIUIRXMKNGOW-AWEZNQCLSA-N 437.441 0.658 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(N3CC[C@@H](NC(=O)NC)C3)c([N+](=O)[O-])cc2C#N)C1 557653038 NZHDVSSEUAJVJB-UONOGXRCSA-N 430.469 0.482 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 558452480 NKHWIJMPXPFFBM-FQEVSTJZSA-N 427.465 0.802 30 20 ICED Cc1nsc(N2CCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1C#N 567796746 IXULTOGIXUOXPV-UHFFFAOYSA-N 428.522 0.283 30 20 ICED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 576672796 CZOOZTHEXPRSKV-AWEZNQCLSA-N 427.552 0.965 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC2(CCOCC2)O1 587655016 WYPWMLOHQMQTBQ-MRXNPFEDSA-N 427.505 0.835 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 604502292 RIBCWTVJVNOXTF-UHFFFAOYSA-N 441.509 0.514 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccco3)c2=O)cn1 608884524 KMRJMRDUTHBTRF-UHFFFAOYSA-N 438.465 0.257 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)C2=O)cc1 609610022 RFDSJOHFQGMAOL-QRVBRYPASA-N 425.489 0.821 30 20 ICED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830042 KILNAPPWKCAFTP-SWLSCSKDSA-N 429.433 0.929 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCC#N)c1ccccc1 756763385 ZHMLRXHACRMXEV-CABCVRRESA-N 433.490 0.965 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)ccc1F 780135825 DSWBAYYJRCRFEM-ZFWWWQNUSA-N 442.465 0.857 30 20 ICED Cc1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 780195543 UZVOHCTVMFHVGI-CQSZACIVSA-N 445.457 0.222 30 20 ICED N#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nc1 780643226 OSERDUPECRYVSH-INIZCTEOSA-N 449.514 0.740 30 20 ICED N#Cc1ccc([C@H](O)C(=O)NC2(CNC(=O)[C@H](O)c3ccc(C#N)cc3)CCOCC2)cc1 780940376 ULNOWTACMPWKPM-RTWAWAEBSA-N 448.479 0.979 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 783464398 GKPHFRJECHWSNO-UHFFFAOYSA-N 433.428 0.654 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 783481914 RJKZZLAVJKHHMA-QGZVFWFLSA-N 449.529 0.521 30 20 ICED C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1(C#N)CCC1 787565953 QTPWCBBDOXLYMB-CYBMUJFWSA-N 439.465 0.954 30 20 ICED C#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 801608189 SOCPLEJHKYZLGC-UHFFFAOYSA-N 449.577 0.946 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)ccc1Br 803551995 YMAHUUCQZNCBCA-UHFFFAOYSA-N 427.284 0.593 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)nc1 807379111 NGZIKHNIYRGOMH-UHFFFAOYSA-N 426.452 0.773 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(N)(=O)=O 818124903 NVBKUVQODHOAOH-AWEZNQCLSA-N 430.552 0.469 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)cn1 839231440 SQBCOQXGADDMRY-UHFFFAOYSA-N 435.509 0.053 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 857752478 PJKIFQTULZNFFS-IUODEOHRSA-N 428.894 0.554 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCOC 916200686 LYJISMYXNLQHOP-UHFFFAOYSA-N 433.505 0.741 30 20 ICED N#Cc1ccc(NCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)nc1 917099039 JDXRQSRMLMSBOM-UHFFFAOYSA-N 431.474 0.621 30 20 ICED COc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1[C@@]1(C)NC(=O)NC1=O 917896836 JROACKNEUKMJQQ-LJQANCHMSA-N 444.473 0.407 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 919027764 OLAFHWPGDSDICJ-ZDUSSCGKSA-N 429.520 0.934 30 20 ICED C=CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 1116588966 NFJXMNZLWZKHOG-GOSISDBHSA-N 437.518 0.777 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286631103 YYLOLPTXAVWVIY-CQSZACIVSA-N 442.973 0.333 30 20 ICED CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1287097862 YAHJCZMPBNCSHR-INIZCTEOSA-N 440.570 0.902 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1315059375 MCADJVAORZPLRV-UHFFFAOYSA-N 426.481 0.278 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(F)c1F 1319632509 KLWXJYKALYDBQA-UHFFFAOYSA-N 427.436 0.716 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCN(C(N)=O)C3)nnc12 1327869430 UPGNDRHZEIUJQH-CYBMUJFWSA-N 441.517 0.839 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1511362175 IYWIDBNUWBMICO-WBVHZDCISA-N 447.521 0.092 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1519572467 UOSYFHHWOYCGDJ-FQEVSTJZSA-N 446.533 0.486 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1555988613 IWUPLTCPOZPXEW-QGZVFWFLSA-N 443.533 0.554 30 20 ICED CN(C)S(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1585535514 XTXGYOOPWUJJEU-OAHLLOKOSA-N 444.355 0.554 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1593886072 QUQCLIAPPXRMJO-KBPBESRZSA-N 444.945 0.175 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1618816480 ZGQSTWXTFBRSQI-KRWDZBQOSA-N 446.533 0.878 30 20 ICED 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C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779334804 ATKDWXLKEIRVCR-PDSXEYIOSA-N 434.493 0.588 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779412373 XHZRHFAFRDQKAS-GIYDNNGJSA-N 429.583 0.105 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781315062 MYZJMGKAYPWKRW-HRAATJIYSA-N 441.525 0.295 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781788459 CZDIYOQHIDYDJA-AYPBNUJASA-N 442.516 0.976 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)C(F)(F)F 1781803484 KDHWVALEQGIPEY-SJKOYZFVSA-N 432.399 0.171 30 20 ICED COc1ccc(F)cc1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015770 ZZUXVTISIPYBKS-XMSQKQJNSA-N 432.448 0.979 30 20 ICED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc(C(F)(F)F)c1 1782034208 QEARNPWORGQDBC-IBGZPJMESA-N 449.389 0.896 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1785571660 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20 ICED COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1794581526 YXTWJUCOFPJKBH-ZSBFGKGUSA-N 427.436 0.956 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1795414832 UZRCIORAWUBLDR-HGKCTWBKSA-N 431.514 0.526 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105640 WWNFRPRFJXBCTH-LORHWOILSA-N 442.516 0.743 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2Cl)C3)CC1 1797236722 NIUXRGDXWNFUPP-UPHUGPLXSA-N 445.951 0.662 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889408 KRELFTNGYZPFTA-UPHUGPLXSA-N 449.467 0.560 30 20 ICED 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)no1 1798204346 HNVBNHDBSJDJGZ-UMPJEAMMSA-N 448.476 0.500 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799048129 IXOUZDULMRBOMG-WMIGDMCZSA-N 427.476 0.947 30 20 ICED 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CEEZSUUEWIAHRL-JOCHJYFZSA-N 437.456 0.367 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507073 LPHJNRDECQOEKY-XOBRGWDASA-N 445.501 0.195 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732566 VUVNPBAAOSTGSK-KKSFZXQISA-N 426.477 0.489 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)s1 1838735959 CGYLKOZDACRMMQ-LJQANCHMSA-N 430.490 0.359 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838736194 PPXOVPANILPSDK-KRWDZBQOSA-N 426.376 0.066 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1838949569 JHQBRHAKKCJUEZ-OAQYLSRUSA-N 428.445 0.080 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)n1 1838949938 FJTPRHZOZIOYAJ-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839104821 KSEPRJFPFNTPIL-PXNSSMCTSA-N 444.523 0.290 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839176512 SMRCPXRFPGUQRB-NRFANRHFSA-N 434.493 0.308 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1839223699 FTHNXTMIENPCBC-MGPUTAFESA-N 439.488 0.739 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1839361711 ZRFDYDSYLIKBNC-QHCPKHFHSA-N 435.484 0.855 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488920 IUKQVKZMLIHCCW-RNODOKPDSA-N 429.502 0.823 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649365 LWQKYTZKDNZPGC-UYAOXDASSA-N 438.550 0.526 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnn1 1839709081 WHUWEJADDZPGAP-TVZYQXFDSA-N 430.465 0.008 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810899 XJWDUSQNGMXHBF-MQNAVGNWSA-N 447.532 0.723 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840197881 BLPICPNIZCBUQG-RXVVDRJESA-N 433.530 0.742 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840234163 JCEXJNIOUFVZGB-XMSQKQJNSA-N 438.521 0.605 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1840442177 SZMRESSLQHDSLH-WMZHIEFXSA-N 444.532 0.599 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819172 UEICLRXSFMPWBB-QFIPXVFZSA-N 429.473 0.763 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)C=CC1=O 1847942628 YSEPEUMIYGGUNV-JYJNAYRXSA-N 446.504 0.583 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(C)C(=O)CC1 1848046388 HWFSJODQPASIDK-PVAVHDDUSA-N 445.520 0.713 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)[C@H](C)C#N 436726036 SAPFXVZODGDCIN-QAPCUYQASA-N 436.534 0.832 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cnc2n(C)c1=O 437054179 DENZMOLKDNCNQG-UHFFFAOYSA-N 436.428 0.892 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 441919701 CAELEXSIAPKXSM-OAHLLOKOSA-N 431.489 0.351 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCOC1 441919939 IHZJJELYDJZDIB-MRXNPFEDSA-N 439.537 0.910 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCOC3)c2=O)nc1 441949623 SBCNSVUBBADQCZ-MRXNPFEDSA-N 426.542 0.925 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)c1 441957457 LAIULIIVMARTHQ-QGZVFWFLSA-N 439.537 0.874 30 20 ICED C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]([C@@H](C)O)C1 443334101 LPCHISPRIZAKNW-ZHALLVOQSA-N 434.562 0.872 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 465327170 QKHOOHLGOCQJEE-UHFFFAOYSA-N 427.440 0.269 30 20 ICED C=CCc1cc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc(OC)c1OC 467065824 RWKPYUFYUOKSSG-UHFFFAOYSA-N 429.477 0.535 30 20 ICED Cc1ccc(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)cc1S(=O)(=O)NCC#N 477685620 LTJOPVJQYNKAEG-UHFFFAOYSA-N 446.533 0.697 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 480666411 PFGOZPAUBYQZBA-HNAYVOBHSA-N 438.575 0.549 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 481279007 ADIKKCGERDSEGL-UHFFFAOYSA-N 442.495 0.382 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 484377230 ZEXPRHQPNLKLEL-SFHVURJKSA-N 442.520 0.698 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2=O)cc1 487434415 WZPPVVZBVVMQSL-GOSISDBHSA-N 442.501 0.332 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccccn3)c2=O)cn1 488974356 IRXVGGHSLXNCFR-AWEZNQCLSA-N 434.477 0.806 30 20 ICED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 498055267 UOLZKRROXHJUPR-UHFFFAOYSA-N 430.446 0.806 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 499805245 WADCPNQHGQJKSN-IBGZPJMESA-N 427.505 0.940 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 503223194 YIWANZVDHVWMAC-UHFFFAOYSA-N 449.510 0.989 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCN(C)CC1 505655336 CLZALVSNUKUWMS-UHFFFAOYSA-N 428.562 0.248 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1C 505657152 COKDYODMNOCYNF-UHFFFAOYSA-N 428.333 0.536 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 506671995 GTLUTRXOVWVWGH-USXIJHARSA-N 447.517 0.597 30 20 ICED CCOC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 513416918 RONMPTKERIOZOP-UHFFFAOYSA-N 436.534 0.665 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)n(-c2ccc(C#N)cc2)n1 515440544 BGRHVHBYHRZVKR-HNNXBMFYSA-N 444.517 0.869 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccc3OC(F)F)c2=O)cn1 523863994 GMNXNWVBMCTLAS-UHFFFAOYSA-N 445.451 0.966 30 20 ICED C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 532718106 RAHBIORWKZSUFL-MRXNPFEDSA-N 429.564 0.859 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 532893941 IQVZVPICOCENDL-WUZYXKQASA-N 433.553 0.309 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 537289784 JFHQJTQPMLWMSJ-OALUTQOASA-N 437.541 0.548 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(Br)c1=O 540236100 BRJTZNJTTJEWGL-UHFFFAOYSA-N 445.277 0.702 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 548289497 SKXZYDYUUBFSCY-CYBMUJFWSA-N 429.523 0.226 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 558982459 OSZHLSUUTSIPPE-MRXNPFEDSA-N 439.586 0.209 30 20 ICED CC(C)CN1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561707619 QJETZLFAYRYYRG-UXHICEINSA-N 425.533 0.869 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 564501270 WTQYXNOCDJZINL-OAHLLOKOSA-N 428.536 0.157 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)n2)c(F)c1 580000178 VXYSBOOMKONBNN-MRXNPFEDSA-N 426.452 1.002 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)CC1 609548166 QIHVOKZDQBGCHC-UHFFFAOYSA-N 449.577 0.744 30 20 ICED CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 610503400 FYFVAGGIVBKDDV-UHFFFAOYSA-N 427.548 0.898 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cn2)c1 615417131 BDZAIOUOQNEUBI-UHFFFAOYSA-N 432.400 0.458 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 673257571 NLVDYMOEGNTKHB-UHFFFAOYSA-N 433.456 0.267 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)n1 679753627 YGZWBHCMBBKULJ-UHFFFAOYSA-N 426.498 0.451 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732780695 MBLXCDXYHMQFNT-MRXNPFEDSA-N 433.578 0.790 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 735494512 ZGPLRWBHWXTGKH-SXLOBPIMSA-N 434.562 0.718 30 20 ICED N#CCc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 735859215 GHJNKDQHPVGHTA-INIZCTEOSA-N 426.520 0.419 30 20 ICED COC(=O)[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(C#N)cc1 740178588 MYFSCXXCXQOWNE-RHSMWYFYSA-N 433.442 0.481 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743728795 XXHXUPCLMVIBQC-GFCCVEGCSA-N 433.511 0.537 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 749274150 AAXRRWVKDMZLSH-HNNXBMFYSA-N 437.474 0.324 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCOC3)c2=O)cn1 749857141 UPFAQFQIYTULAU-OAHLLOKOSA-N 435.509 0.822 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 751094615 HONBGDAQCVHFSL-QNGOZBTKSA-N 447.473 0.415 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)cc1 752118713 GLKWVDKAYGUBOZ-KQWNVCNZSA-N 447.473 0.446 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 756319160 ZKOQDOTXANIXIQ-MRXNPFEDSA-N 430.480 0.931 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1=O 762010653 KJZJSMAIVJNHEX-SFHVURJKSA-N 438.440 0.822 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 766652846 XUDMPCVNLLIMPB-AAEUAGOBSA-N 441.868 0.798 30 20 ICED CCS(=O)(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 769786995 OACYJMOFAGSTKL-UHFFFAOYSA-N 427.548 0.931 30 20 ICED CN(C)S(=O)(=O)c1cccc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 769798540 CDRTWVZXIHYRBS-UHFFFAOYSA-N 437.499 0.830 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770583191 IGIKQTPERBOBJR-GOSISDBHSA-N 440.815 0.801 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 783244243 IGBOFZYHNUKMHO-UHFFFAOYSA-N 426.408 0.509 30 20 ICED N#CCc1ccc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 787003469 YFQDZEFGZSTUEK-IBGZPJMESA-N 428.489 0.948 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 787754179 LXGZGNKEMZQIOH-UHFFFAOYSA-N 438.463 0.534 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CC1 793195340 CGNUPKRIIGAELO-ZDUSSCGKSA-N 428.511 0.642 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 795092815 FZVVBQPLPXWEFP-UHFFFAOYSA-N 430.324 0.513 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3occc3c2)c1=O 795187018 JYFOGPIVZMOVSN-CQSZACIVSA-N 441.509 0.957 30 20 ICED C#CCC[C@H](O)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 799074204 CKRNXNIXTXTSTN-HNNXBMFYSA-N 435.502 0.660 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c(F)c1 802551581 CLNMXMTYALLRNH-UHFFFAOYSA-N 428.461 0.615 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CCCOC)c2=O)c1 802723779 QHXZWFNLZGIBPG-UHFFFAOYSA-N 447.520 0.362 30 20 ICED N#Cc1ncn(CCNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 805247310 HKSHJWGJEYREST-UHFFFAOYSA-N 432.384 0.821 30 20 ICED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 810379033 NNXQLPHHOPEUKO-MAUKXSAKSA-N 434.460 0.926 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)c(C(F)F)n1 814252247 LHQHPTDBPOSQRC-UHFFFAOYSA-N 449.483 0.668 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 914819207 NPOZWVRMEPXHRI-HIFRSBDPSA-N 433.490 0.385 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCOC 916198596 QMGNJZKKWWETRX-UHFFFAOYSA-N 431.514 0.221 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1OC 916924352 VVYLWRRMOVIMKC-MRXNPFEDSA-N 435.440 0.876 30 20 ICED COCCn1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ccc1=O 918610675 PBRDXFUSPCSIOR-XLNRJJMWSA-N 433.490 0.955 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 918970576 XOWOYXOAPOEYDU-OAHLLOKOSA-N 437.518 0.825 30 20 ICED NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C1 1116181319 QCDTYMBIHNWNHA-HZSHHLKBSA-N 425.489 0.921 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)ccc1F 1116377809 PHFCKUNHYIDYEO-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1116643094 IVWRYEBQNBKGSV-ZDUSSCGKSA-N 428.467 0.820 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1288985932 HBKAIDLCTPXTMA-LSDHHAIUSA-N 435.554 0.641 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1318433024 CMQGNPKTVDBBNV-UHFFFAOYSA-N 432.550 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCC1 1510217429 JAZOWAUYZRVMCI-GOEBONIOSA-N 437.570 0.370 30 20 ICED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 1521143625 OCFVMQOPLHLLDM-INIZCTEOSA-N 436.538 0.169 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1544748553 UFSLRYPCXZRQQV-QEEYODRMSA-N 431.518 0.980 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(OCC(N)=O)CC3)CC2)cc1 1566113536 YZZCHNCPAWWRNI-UHFFFAOYSA-N 434.518 0.452 30 20 ICED CN1C(=O)C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1641034304 YUFFOFMZQPNXKR-MLGOLLRUSA-N 433.827 0.949 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CCO1 1748208277 OZOXYWHSWYEINO-SFHVURJKSA-N 437.504 0.827 30 20 ICED CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1764418011 WOQZWXPBKLYQMU-HOTGVXAUSA-N 438.554 0.920 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1769315595 XRFGPJCPYXZCQX-UHFFFAOYSA-N 435.492 0.887 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777935287 YJUWTYJRSZCUBP-QHRIJPBDSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160735 QCTACAZDMCLABC-XNWDXEOPSA-N 438.481 0.188 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778557377 LHYOVZFXZRMNMA-ICTHTSFCSA-N 427.505 0.521 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1778789637 YVWGUQCGIAWSTI-UWJYYQICSA-N 430.461 0.375 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937059 MJESUIDBEXVVRQ-JLTOFOAXSA-N 433.534 0.622 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979200 NFYCSQQAJKKDDF-IVZQSRNASA-N 426.473 0.761 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1C#N 1781050996 JALUBGPURMBHGD-SFYKDHMMSA-N 442.516 0.512 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1782196647 AJGKXJQRDKELSB-JOCHJYFZSA-N 449.471 0.934 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1785573373 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20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413423 CVHWQNRUWAVFOV-PIKOESSRSA-N 442.491 0.766 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795605358 RTJXHRSYOKMVJC-AYWDWDCISA-N 428.537 0.943 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)SCC(=O)N2 1796289958 AAICBVQZUQOMGT-NTNQKNOYSA-N 443.525 0.972 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)c2cccn2C)C3)c1 1798579969 GHTUZAUKDYYIKC-XEMDLRDOSA-N 436.468 0.991 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1799305220 VPENPPOHJCGRPF-XOIINTDNSA-N 443.460 0.148 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354745 AZDMCFPSJHVCCT-MUJYYYPQSA-N 444.492 0.677 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078032 HWMFNJVMHIJZIJ-QAPCUYQASA-N 435.488 0.891 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807351201 WKUJSALFLWUJLN-WMLDXEAASA-N 434.460 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1808451213 AEEJFCPJMAFCST-SQGPQFPESA-N 428.489 0.733 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)[nH]n1 1814438979 ZRZFGQMEPGYEQI-AISUJJHZSA-N 428.493 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815023645 MMTSHOFJBSMQGS-XHPSBEMXSA-N 430.465 0.712 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813128 OOFWSVVXQDUJHN-SWLSCSKDSA-N 445.509 0.796 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1)C(=O)O 1819843496 JUAIQGBDHUMZGU-UKRRQHHQSA-N 448.545 0.816 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nccn1)CC2 1819907256 NMHCPGVJSNIRKB-KLFBEFASSA-N 433.494 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCNC(=S)NC)CC1 1823747656 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C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835761486 RJELFFROSITRPQ-XMMPIXPASA-N 448.608 0.977 30 20 ICED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1836066246 PDDAVZBGTKZWCN-JOCHJYFZSA-N 439.472 0.491 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836417092 YCXVSHANTZXICV-IBGZPJMESA-N 426.521 0.692 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1837402013 BXMGZGDCFJTWDA-FHJLPGHOSA-N 447.532 0.878 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837486530 IBLHOBOJNRZICZ-AUSIDOKSSA-N 434.533 0.711 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1837488746 PBPDVYNWEYHPHM-QHCPKHFHSA-N 443.500 0.089 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837488749 PLWINONHEHJODF-HSZRJFAPSA-N 444.532 0.672 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491685 UNBQUUGEOUJCND-NRFANRHFSA-N 448.545 0.615 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837527850 YEFBUWDJCKDFMB-GAMXZPBPSA-N 439.509 0.398 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531389 LJEXCVSGJKWMTF-VDYVLHGJSA-N 436.465 0.582 30 20 ICED O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567524 PXMMBSBXHFTOEO-ZZAWEDPDSA-N 432.521 0.641 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1837664722 WCYXKXGJTRDBBN-PGRDOPGGSA-N 439.553 0.086 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839003964 HOSYHXCGDZGFHX-QJKPHDSHSA-N 449.454 0.893 30 20 ICED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131985 LOLZFUSRBYFOMZ-JOCHJYFZSA-N 431.489 0.602 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(C)C)C2)C1 1839174997 HUHIVVNKHSFLNP-UWJYYQICSA-N 426.510 0.766 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224470 ULKABNULFIZQQP-QRWLVFNGSA-N 437.497 0.300 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839224551 MENJMJNSOCYMGX-KXBFYZLASA-N 441.916 0.794 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273474 FUUITLGMKORHDF-YCRPNKLZSA-N 447.444 0.409 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1839362916 XBDCDSXAQUCDHO-JOCHJYFZSA-N 437.456 0.220 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1839809083 DPWUTNXOGCEDAW-HXUWFJFHSA-N 431.401 0.085 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1)C(F)(F)F 1839892989 ISISPANZOCKLCW-GOSISDBHSA-N 439.394 0.918 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840177398 YPINUWYKQMNMCI-YADHBBJMSA-N 438.521 0.827 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1)c1ccc(O)cc1 1840221363 OHWOQXXHAZCZCU-XXBNENTESA-N 428.485 0.935 30 20 ICED C=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)N(C(=O)OC(C)(C)C)C1 1840251504 IBFUQLSEENNWOW-JTSKRJEESA-N 448.520 0.922 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840294618 GHHDYWOWQJKPBP-FXAWDEMLSA-N 426.535 0.214 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840606066 NTYFVMDFXDQMIJ-IKJKNFHUSA-N 439.512 0.840 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840712254 BQGYUQALJSJZAY-DGGJZMOXSA-N 442.516 0.895 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C[C@@H](F)C1 1843890253 YSVIABXJNITQMJ-LSDHHAIUSA-N 437.468 0.873 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)cc1C#N 1848033436 FNRBSADCXDWMRG-IRXDYDNUSA-N 439.472 0.713 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 23318759 MOFVSBOLVXMGIQ-UHFFFAOYSA-N 427.530 0.675 30 20 ICED N#CCCn1ncc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1-c1ccccc1 430087779 FNJVJFYSOQIHGQ-UHFFFAOYSA-N 440.489 0.729 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 435163810 FAVHUIADUYKQQT-UHFFFAOYSA-N 425.493 0.706 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](COC)[C@H]2CCCO2)cc1 435289371 NBANNJFBVAJPFC-IAGOWNOFSA-N 425.507 0.742 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435933137 DOBRELKFKDNKCW-KBMXLJTQSA-N 446.909 0.324 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCOC2)c1=O 441951564 FMGQZCOMRXWBOZ-OAHLLOKOSA-N 445.566 0.678 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c2)c1 442355448 NLNMRBQBECEPTC-AWEZNQCLSA-N 443.481 0.605 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 443105409 WKZDOLDTYHUNJN-UHFFFAOYSA-N 443.441 0.517 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 460598612 NBHRFADKNVSCKG-SFHVURJKSA-N 443.467 1.303 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472855315 GYCUSDLHADAXRK-UHFFFAOYSA-N 440.460 0.683 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 475480021 PVWPKJJGPJHOLX-UHFFFAOYSA-N 425.507 0.663 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCCSC)c1=O 488992518 KLOFIOMUMGIODL-AWEZNQCLSA-N 432.571 0.988 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 489015697 OUERPSGWEBXBNO-UONOGXRCSA-N 441.534 0.988 30 20 ICED CCN1C[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1C 498914984 KLXWWDONQHPYSA-MSOLQXFVSA-N 433.578 0.806 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1=O 505109569 KFNDATGQPBQBBA-IBGZPJMESA-N 426.517 0.900 30 20 ICED CSc1nc(O)c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1C#N 515577935 AXRORHUKVUJTNO-UHFFFAOYSA-N 425.470 0.883 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1C#N 517267019 DTZJMQMVWGTTJY-UHFFFAOYSA-N 427.490 0.099 30 20 ICED CC(C)OC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 517995765 BQAIGHFZQDKXNK-RTBURBONSA-N 428.489 0.428 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 520146193 LKEZIALJIBMUEH-AWEZNQCLSA-N 431.492 0.465 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3ccn(CCOC)c3c2)CC1 536636804 JGZAXOHZCIAZKP-UHFFFAOYSA-N 427.505 0.673 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCC2 546802999 DJMAQAAJVFNFKD-GOSISDBHSA-N 448.487 1.173 30 20 ICED C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 550591604 GWTDUOMWAQLSQQ-KRWDZBQOSA-N 434.500 0.986 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 557756332 PNEVRBSFTAPAHT-GOSISDBHSA-N 433.597 0.735 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 562163708 ASPGMKTZJDSILH-INIZCTEOSA-N 428.470 0.767 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 564482078 QQLCNNBYUYJFAS-MRXNPFEDSA-N 431.468 0.100 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1CN1CCOCC1 568369247 QFJMRASYMQFJLI-UHFFFAOYSA-N 439.520 0.403 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(F)c1 568698546 PLKQHUXPVDRPRD-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 570302773 JKSJJRQOJBGNMF-UHFFFAOYSA-N 444.532 0.705 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)CC2)c1C#N 571437339 HAZLXCQNYCDVFD-UXHICEINSA-N 435.532 0.810 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1 579875878 JBDCPTXKRNCRKF-KRWDZBQOSA-N 428.510 0.718 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1F 583709742 PCESNFBCAOYEGD-UHFFFAOYSA-N 440.478 0.865 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@]3(CO)C[C@H]3c3ccccc3)n2)cc1 584024594 PGJNNWAWXHMBMI-CVDCTZTESA-N 430.468 1.419 30 20 ICED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCCOC2)O1 587659734 XVHCSCICMVTYDS-KSFYIVLOSA-N 427.505 0.835 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)C3)C2=O)cc1 588868417 LZNVOZNMACNHNZ-SFHVURJKSA-N 426.473 0.183 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 589809772 QOYBACLWIWHFDG-LSDHHAIUSA-N 437.518 0.636 30 20 ICED Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1S(=O)(=O)NCC#N 608868838 DHKUCKQWMPPPFM-UHFFFAOYSA-N 449.514 0.615 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)c1 609087232 CWLGWMYXQFDLNB-UHFFFAOYSA-N 445.430 0.827 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 609486889 SYOVVSJCAXVLGN-HXUWFJFHSA-N 449.577 0.812 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2F)c1=O 619695706 QWQKVHNIAQXVKV-UHFFFAOYSA-N 431.489 0.876 30 20 ICED COCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC1 619859994 VRYBANKBVKNFMW-QGZVFWFLSA-N 446.533 0.844 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727165173 YRXDZMXKJBLARC-UHFFFAOYSA-N 428.905 0.709 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 730530342 AXKPTRZKYOPYBU-HAHDFKILSA-N 429.462 0.523 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2cnccc12 732908705 PMWRPQJNGPBARQ-MRXNPFEDSA-N 438.469 0.703 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 739121418 NGUBPDDHENZWBM-IQVWLQHGSA-N 449.533 0.598 30 20 ICED COC(=O)[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 740203059 HYJGOSOXEGHDDO-INIZCTEOSA-N 425.401 0.153 30 20 ICED C[C@H](CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21)/N=C1/NS(=O)(=O)c2ccccc21 742681668 WHEUELXBGUSAQH-GFCCVEGCSA-N 448.526 0.740 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 746131124 QHZCGPSHLLSCJA-CZIZESTLSA-N 443.485 0.196 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 747977154 LXXAEJUUXRTFHP-ZESIPNTPSA-N 437.522 0.998 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 748980141 HVKHJWVFOYWNGN-UHFFFAOYSA-N 428.880 0.906 30 20 ICED N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 750045739 OCAWVOGMUJEIEL-UHFFFAOYSA-N 430.490 0.049 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758074764 BZEQPMPLFZRJKX-UHFFFAOYSA-N 429.885 0.953 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC2)o1 770105318 UXEWDJDWYKIRME-HNNXBMFYSA-N 441.510 0.010 30 20 ICED COC(=O)Cn1cc([C@H](C)OC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 770708639 WFYURPDSELPZQZ-RYUDHWBXSA-N 435.462 0.573 30 20 ICED Cc1cc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)s1 772603480 XYZLCRHVYLRRSL-FOCLMDBBSA-N 441.535 0.469 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)[C@@H]1CCCO1 773806969 WIJKZAJZQFTOJS-APWZRJJASA-N 428.489 0.318 30 20 ICED C=CC[C@@H](CO)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 775456331 ZGEOMCWWVHBNGE-CQSZACIVSA-N 449.551 0.275 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 780352157 NGAQBSLXXXHUQK-XPKDYRNWSA-N 426.429 0.938 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340620 BTCJBZLRJHKCKP-SIXWZSSISA-N 441.481 0.547 30 20 ICED CCN1C(=O)c2ccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc2S1(=O)=O 783093456 QJBHXGIISYMCRV-UHFFFAOYSA-N 427.398 0.828 30 20 ICED CCN1CCN(C(=O)[C@@H](C)OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 783673421 NZGTYRGFXFBUDK-QAPCUYQASA-N 441.488 0.859 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(OC)cc3s2)c(=O)n1CCOC 788766500 VQFQYEVUOCAEBH-UHFFFAOYSA-N 430.511 0.424 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 794541857 UYFCFLRXHVHKEV-INIZCTEOSA-N 430.505 0.928 30 20 ICED Cn1cc(S(=O)(=O)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1C(N)=O 796737651 XAAFBJKFYCABKU-UHFFFAOYSA-N 433.465 0.856 30 20 ICED CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 803786048 BGEXQCBFCYZACG-GOSISDBHSA-N 438.462 0.911 30 20 ICED COCCN1C(=O)/C(=C(\Nc2sccc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 814344026 LVTXUILORWXMEQ-RGAIUGGKSA-N 426.451 0.687 30 20 ICED Cc1nc(SCC(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C#N)c(C)c1C 917225849 GMQWFPRPCWBVIQ-UHFFFAOYSA-N 447.561 0.746 30 20 ICED COc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1[C@@]1(C)NC(=O)NC1=O 917879832 KIMPPOZQBXKUQQ-LJQANCHMSA-N 444.473 0.407 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1288974948 JJJLTCMYVYDRJX-HXUWFJFHSA-N 429.525 0.926 30 20 ICED N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1312008424 PDMIZTVMIFALEB-HNNXBMFYSA-N 441.579 0.940 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1321793500 YUSJXQFUGCZLQW-UHFFFAOYSA-N 442.335 0.959 30 20 ICED CN1CCN(CC2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)CC1 1324333025 DTTHRJWMSCUGNF-UHFFFAOYSA-N 445.589 0.665 30 20 ICED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1438408023 DTPPSSNKRIXBNT-OAHLLOKOSA-N 425.532 0.317 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 1478405155 YPGAPXNCIJLOEC-ZFWWWQNUSA-N 427.527 0.565 30 20 ICED CC[C@@H]1CCCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1546645480 RDHNUACFKGAIOA-BRWVUGGUSA-N 439.586 0.882 30 20 ICED 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30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829749383 WYGJIZDOHXOBQB-SCLBCKFNSA-N 425.511 0.241 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 1829773531 VLNMUGQRWMBCEN-QGZVFWFLSA-N 426.477 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1831392453 MCKKFSYHNRKYLZ-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)c3ccc(O)cc3)C2)C1 1831396173 ADCZXVNDCKQVHH-PMAPCBKXSA-N 430.501 0.990 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1831404121 JONSMBVXHKHAJH-QFIPXVFZSA-N 434.537 0.710 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831409512 RAHFFMPJGSMVKI-KOIKXXGWSA-N 435.521 0.260 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831439022 ULFLGOWJTMQTBH-FUHWJXTLSA-N 434.580 0.303 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831452407 QLGPTMBDNJOXCT-DYESRHJHSA-N 442.578 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1 1832191054 RKCSSSNKPZZXKS-SJKOYZFVSA-N 426.407 0.916 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)[C@H](C)CC)CC2)CC1 1833075913 GRNYYBQLBGXWAA-JZXMRFPWSA-N 433.597 0.790 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166322 CVXILINHWXPIDK-MHRHTVJOSA-N 427.461 0.188 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833204072 LLEQXQUJJFMQNR-XQQSMPNESA-N 449.895 0.058 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1834249781 XSVRUYSCGJJYIE-JOCHJYFZSA-N 449.471 0.552 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1835101873 JPSLRKDKECKMFS-HSZRJFAPSA-N 436.468 0.364 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657683 ICITWQWWRRSFSE-JTGQJZMRSA-N 430.549 0.431 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)o1 1836026824 LKVZGJRNDCJSIL-OAQYLSRUSA-N 443.435 0.702 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836135976 HVXXSPHWATWUIS-NRFANRHFSA-N 447.612 0.786 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836982436 NHJHLRZKVJOXFS-HTAPYJJXSA-N 426.473 0.443 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446504 CLCYEOVYZSXYRP-DHNIJCFSSA-N 445.520 0.136 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837528413 JMGPEISIIHRKHZ-REWVYZQPSA-N 446.504 0.989 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837531272 GRXIYOUUZRPTBU-REWVYZQPSA-N 446.504 0.989 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1837664724 WCYXKXGJTRDBBN-XMSQKQJNSA-N 439.553 0.086 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838400878 SRTNEDFFYRAUCO-UHFFFAOYSA-N 430.501 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838506623 FZVQQDUNWFTLJU-JLTOFOAXSA-N 447.517 0.747 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738294 ZPFRISPFTOOPEM-ZHRRBRCNSA-N 438.488 0.852 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1839224548 MENJMJNSOCYMGX-HNAYVOBHSA-N 441.916 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839293629 UEKDCHCLLYWLRG-LXHZQTKUSA-N 447.463 0.460 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1O 1839474143 LWEIZBBLPYCIIV-XCLFUZPHSA-N 437.518 0.739 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)[S@@](=O)c1ccccc1 1839672331 HPFWIMWMCZWMMG-SYGPAWRDSA-N 445.541 0.943 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840168010 AWIQWFJZJDMFLG-HSZRJFAPSA-N 439.468 0.695 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138039 JXQBBMVJZXGMTJ-OAHLLOKOSA-N 448.545 0.641 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCn1ccnn1)C2 1847074436 VVGPNHAGGHUWKB-INIZCTEOSA-N 430.509 0.788 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 29444523 HQKDUNYNGRMOPY-UHFFFAOYSA-N 428.518 0.082 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 410161583 LDWGMLRJNMSJAQ-KGLIPLIRSA-N 426.461 0.968 30 20 ICED Cn1c(NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(C#N)c(=O)n(C)c1=O 432921895 HQMSZCMOTYQTRS-HNNXBMFYSA-N 429.452 0.224 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446533439 VKLYBEWEBFUFBP-UHFFFAOYSA-N 436.534 0.287 30 20 ICED CC(C)(C)n1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 448484877 VWEYCCUNZYBDKC-UHFFFAOYSA-N 444.517 0.981 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 460333964 XDSHYCXSJFSWQQ-UHFFFAOYSA-N 445.505 0.277 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)C2)n1 461318366 MEXMTPAMNKSFKZ-SFHVURJKSA-N 434.566 0.819 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)cn1 473493804 YEEDAZJGPXACHQ-AWEZNQCLSA-N 438.473 0.755 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 475408792 VCFQRKGIAZSGCX-MEBBXXQBSA-N 427.280 0.977 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 475679578 MPLGNEYMLQGTGP-LBPRGKRZSA-N 426.408 0.950 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC 481789971 YNEKYXONTSQTQT-HNNXBMFYSA-N 426.491 0.954 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 482224633 IZWIZWZCAFOMBE-KRWDZBQOSA-N 448.545 0.163 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cn1C 486133827 CWMHLBAKHXNGAU-OAHLLOKOSA-N 434.547 0.774 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(C)cc(C)c2)c1=O 488072639 JJSCGWZDBBIFCN-UHFFFAOYSA-N 445.566 0.307 30 20 ICED C[C@H](O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 494463566 GPQWSQHZZVCBGW-INIZCTEOSA-N 428.493 0.453 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 505859432 VZLAACBGOHAMMR-UHFFFAOYSA-N 444.489 0.763 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507641586 SAFAIIYBTUYSGH-HOCLYGCPSA-N 445.505 0.302 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 512446544 MOLPLQIRAZQHSD-OAHLLOKOSA-N 445.549 0.839 30 20 ICED COCCOC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516888947 NUYBFUVXGUTHFZ-RBUKOAKNSA-N 428.489 0.287 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)c(F)c1 519168512 GXDVRRSVCZJEKQ-KRWDZBQOSA-N 429.496 0.763 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 523053646 ZWFRXPZZHGQIGV-UHFFFAOYSA-N 428.474 0.196 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1C#N 535505662 LCQHJRCUEMOCDZ-CQSZACIVSA-N 448.553 0.813 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 544160134 VDZJNVNDZOFHHU-UHFFFAOYSA-N 444.488 0.619 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2=O)cn1 550411173 CXOZUUDIQZVOGQ-AWEZNQCLSA-N 431.250 0.914 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 553973534 APCBTZKBAMKUPP-HNNXBMFYSA-N 443.895 0.830 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)c1C#N 554353518 DLPQMLHLZBWRIU-MOPGFXCFSA-N 443.552 0.008 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1 555588854 CCQPSLMAPNFJER-IBGZPJMESA-N 437.500 0.641 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 567957171 QDRJIWFLQOOHNP-INIZCTEOSA-N 444.579 0.542 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)CC2)n1 584073151 QXMNABLKNKPMQF-LJQANCHMSA-N 438.532 0.899 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 585688969 IZDIVHSKRPOQPH-UHFFFAOYSA-N 442.520 0.981 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 603729941 YYJXPRIUQFRITF-ZWKOTPCHSA-N 440.543 0.668 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118597 PJGQDLQPEKYAKD-UHFFFAOYSA-N 445.566 0.895 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2)CC1 612270292 HESMZVWYLPFPNC-QHCPKHFHSA-N 440.548 0.988 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 728534299 ZTGUHFMEWPJHFO-MRXNPFEDSA-N 438.575 0.103 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1OC 729187809 IJKCQCRFLGNJCQ-INIZCTEOSA-N 437.456 0.959 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CC(=O)N(C2CC2)C1 729191416 QKVQOWHWIACDNH-CQSZACIVSA-N 438.440 0.920 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN([C@H](C#N)C(C)C)CC3)C2=O)cc1 731846578 JREACBJVUMJUQN-GCJKJVERSA-N 442.520 0.659 30 20 ICED CCn1c(=O)nc(O)c2c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc(C(C)C)nc21 731887541 NNQMNTFCTIXILN-CAPFRKAQSA-N 440.460 0.897 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cn1 732797996 VDCSLODYEHRKPL-UHFFFAOYSA-N 440.573 0.736 30 20 ICED Cc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cccc1S(=O)(=O)NC1CC1 741095973 VNSBGILXOFLGCM-UHFFFAOYSA-N 442.501 0.869 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743727372 AMAJJHUUBOLKBU-UHFFFAOYSA-N 445.570 0.017 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 747850085 QVMTXSAJZHCTSC-UHFFFAOYSA-N 442.559 0.650 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)CC1 747993444 JDYCHJHCGGHNGU-UHFFFAOYSA-N 446.529 0.420 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 749598312 LHXJUGVZXSVYCQ-UHFFFAOYSA-N 433.280 0.280 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C(C)C)s2)c1=O 758057108 FEEUCVYALIESPP-UHFFFAOYSA-N 430.555 0.779 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NS(=O)(=O)CCCC#N)CC2)cc1 764789890 NMRABHLNUGWHPZ-UHFFFAOYSA-N 428.536 0.051 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)c1cc[nH]n1 772519386 YWTNYKCHFGPQSF-UHFFFAOYSA-N 444.448 0.257 30 20 ICED CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C1 783623144 QDUOXJBLZBXPBZ-FBMGVBCBSA-N 430.465 0.959 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)cn1 794610161 ZCRKHDLRSQBASC-HNNXBMFYSA-N 428.514 0.586 30 20 ICED C[C@@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC(=O)NC1 798774906 BAUINTKPIJEBAA-OAQYLSRUSA-N 441.444 0.914 30 20 ICED COCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 802342942 NXUYQQYHVNMQSU-KRWDZBQOSA-N 446.533 0.811 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 807305133 RVFQVEORULFBFR-ZWNOBZJWSA-N 436.412 0.854 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250112 IQUVKNYQTHYBPG-UHFFFAOYSA-N 439.513 0.470 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C3CCC3)c2=O)cn1 814253824 LTWGPUCBJXQDFX-UHFFFAOYSA-N 438.557 0.599 30 20 ICED CN(C)C(=O)c1cccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 831243790 OFVWWOGWZPPIMX-UHFFFAOYSA-N 444.469 0.609 30 20 ICED O=C(NCc1cccnc1)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914858243 RKUXDEVDWMUBML-UHFFFAOYSA-N 441.513 0.675 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(C)(C)C 919389560 QZMTYWRZKAPXNP-UHFFFAOYSA-N 441.506 0.870 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1301407805 QITFBVVCEYJXHS-DENIHFKCSA-N 442.520 0.647 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1303470001 LZVMCULDICAKCP-HNNXBMFYSA-N 445.549 0.811 30 20 ICED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1319706417 LFQXCHRAMBOKHR-CJNGLKHVSA-N 442.515 0.050 30 20 ICED C=CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1328275051 WAIJYRHGMNCYTC-IAGOWNOFSA-N 430.486 0.965 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1360241055 ZLEQRVSQJHLLLA-DFYVNMARSA-N 433.582 0.894 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1541946056 PBWKILZSOGEMPK-UKRRQHHQSA-N 434.526 0.126 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1542755588 WWFMEDNUEIMNIN-SFHVURJKSA-N 445.545 0.846 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1612654398 UARRRGJMIWBYOI-GOEBONIOSA-N 428.518 0.918 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(c1nccn1C)c1nccn1C 1629669358 MUFWABVSRCUATA-ZDUSSCGKSA-N 427.490 0.598 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1692779158 IYBOHMCHDKNAIM-ZDUSSCGKSA-N 444.583 0.596 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1712104585 WRDUGNRYZLIPRH-UHFFFAOYSA-N 435.492 0.781 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1723659981 HSCJGZJEPOJEST-UHFFFAOYSA-N 437.570 0.972 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727293584 QRERVCGCPZQWFH-WBVHZDCISA-N 436.582 0.908 30 20 ICED CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1750199203 ODNFOJMBEYVARH-DLBZAZTESA-N 444.517 0.551 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771368231 HJIQZGDMVDGAPG-GOSISDBHSA-N 440.533 0.543 30 20 ICED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777716952 ZRYWOGWXCNSHNP-DNVCBOLYSA-N 435.506 0.269 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1778972860 XBVSOSFVFRNWAM-IERDGZPVSA-N 434.493 0.116 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1780334761 ILEDHWPMRZFQQF-FQEVSTJZSA-N 426.433 0.056 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1780739848 RVPCYSJPYUBYSF-VGOFRKELSA-N 446.504 0.879 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195031 UPKNOALZYMXZBZ-OAQYLSRUSA-N 439.476 0.149 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666933 QPAJLYRWSJUCPU-JKSBSHDWSA-N 428.489 0.068 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782855524 HHLLYLHSLNJYGQ-HXOBKFHXSA-N 442.516 0.866 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1784009813 MEBBZNNGBSFDSM-WXVUKLJWSA-N 439.512 0.998 30 20 ICED COc1ccc(Cl)c(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1784056302 CPALTAXJTOXANU-HXUWFJFHSA-N 438.839 0.948 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)c4ccn(C)c34)C[C@@H]21 1784485146 JTGRHHQJPLPTHG-PDWMJMLSSA-N 440.500 0.911 30 20 ICED 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 1785574393 IVKBRVRVIBMMAR-PONJGIIJSA-N 448.520 0.012 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc(C(F)(F)F)c1 1785629820 AOHUYQYIDUJYII-SFHVURJKSA-N 439.394 0.689 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cccc1=O 1786857640 ZUNFWJQFGXEMCN-BQFCYCMXSA-N 429.521 0.260 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cc(C)cnc34)[C@H]2C1 1788336774 NJXNVUVAWHTSCV-CAMMJAKZSA-N 425.489 0.669 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1ccnn1 1790644102 OUQJLIRJJKLAPI-HYJFEMIMSA-N 438.488 0.769 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC2(c3ccc(NC(=O)C#CC(=O)O)cc3)CCC2)CC1 1791446804 DLLTZEPACUCENA-UHFFFAOYSA-N 447.513 0.880 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(OC)cc1F)C2 1792484705 YCBKWLSVZIBMNX-PXAQZEHQSA-N 432.452 0.291 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1792489819 WOPJANPUGJEMRO-XOGJXXCJSA-N 444.488 0.160 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1792630381 QCIFPOQLTSSRLK-NFFDBFGFSA-N 429.477 0.132 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1793344852 ULUALBVLSVYHCE-BCEDRHLLSA-N 427.457 0.259 30 20 ICED 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](O)C1 1795080115 WOHSDOHIAXGTJA-RIUYPTKQSA-N 436.509 0.108 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cccc1C=O 1795750071 NILMTXIXMXCENF-DLEXBDIZSA-N 446.504 0.980 30 20 ICED CCn1c(-n2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cc2C)cccc1=O 1795935827 MYIOIWYQUIHHEL-VPTLXERWSA-N 438.488 0.479 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc2n(n1)CCCO2 1797437426 CSWBKXXRSYKBPC-ADUKNNKPSA-N 430.509 0.341 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1797713418 MSFJBKCCASZDGD-ZMMAXQRCSA-N 446.548 0.450 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1797836987 FTEUVXCMILDHSH-GBFHVWRSSA-N 428.445 0.311 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799480610 ICAXLGVSINJRIM-XTLOUAGDSA-N 444.444 0.362 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883030 DCHUOMXICHETEF-ZSBFGKGUSA-N 445.501 0.072 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)n1cncn1 1799886104 JDKSHWWLZDEICA-LJGDNWOOSA-N 434.460 0.490 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800036650 NEQDJERNMDCOCD-FRQROOTJSA-N 446.529 0.920 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)C1 1800982254 ZXBWFWSOYWWSAP-JNNRSPCRSA-N 447.557 0.675 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801071313 CDLBLBIMROLZEJ-WGVRVLLMSA-N 426.473 0.053 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802236208 VULPCGGTLRUCBR-SFNKJDCFSA-N 435.521 0.625 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804350420 YMGMTQOKVADMFT-NFAWXSAZSA-N 439.394 0.804 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1810248098 ANCXBBPDNQDWAB-URVUXULASA-N 443.592 0.908 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)c1 1814826667 RGHWXEXUZJLYLS-GFCCVEGCSA-N 427.490 0.732 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC)NC(N)=O)CC1 1823744002 MLTYKXJUDNKSGT-MHEJJFAZSA-N 433.553 0.911 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996600 KXLSTQXWLLTJDX-YEUFIRJSSA-N 431.537 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)CC1 1829111348 PFBVDKCDDHMBIX-IQHLRMOPSA-N 448.564 0.616 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)C1 1829668792 CTZFRLQMYAONQJ-QHCPKHFHSA-N 425.485 0.966 30 20 ICED COc1ccc([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830455195 MOBBZXCXMKBLKO-KSFYIVLOSA-N 430.457 0.343 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458428 CKCFFJZLNQJJPW-QFIPXVFZSA-N 428.489 0.035 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831195826 GZUMUJQXBNVWKW-AZUAARDMSA-N 429.583 0.704 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1831393015 IZJZTAZITHABTP-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1831409395 PQULCXUISKTLGI-QFIPXVFZSA-N 432.521 0.882 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831420271 UPBUUKNOCQTALO-HTAPYJJXSA-N 434.489 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3CCC(O)CC3)CC2)CC1 1833077460 ZATMCTQTMATRIZ-FPLPWBNLSA-N 446.592 0.968 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166307 CKBZFUIDENQGPB-LQWCGFJLSA-N 447.492 0.005 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710802 UADFDJSHHFIUCV-UHFFFAOYSA-N 445.564 0.878 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1834606973 REYJMVLOSKPMQM-UHFFFAOYSA-N 437.504 0.578 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834621802 KMQWDBHNGVLLNI-FQEVSTJZSA-N 449.640 0.787 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834700739 FCXVZUIGNWTGSD-AXKGWLQCSA-N 441.484 0.184 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c([N+](=O)[O-])cc1O 1834763507 MFDYGPXHEMQXTL-IBGZPJMESA-N 434.405 0.293 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834763754 WYELRHICGKQZSY-HXUWFJFHSA-N 426.433 0.424 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834977638 RTRWDGFLXFHTFI-IIBYNOLFSA-N 439.509 0.006 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)[C@H](O)C=C)CC2)CC1 1835830829 QTGSWUFOPNXFHR-QFBILLFUSA-N 434.581 0.822 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccc1C=O 1835959724 UGIDFXZKWQNENQ-KSFYIVLOSA-N 439.472 0.832 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1836859450 GRWZVLJWVOHNJM-INIZCTEOSA-N 440.504 0.775 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1836861753 GYXMGFCASIBOGT-VQIMIIECSA-N 440.562 0.601 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837277916 BUEWXWVBZFZHDA-HUTLKBDOSA-N 425.595 0.737 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1837396142 CIRBHIFUYSZTQQ-HRAATJIYSA-N 435.525 0.502 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837397688 SDGFRDBQMZZRIX-JTSKRJEESA-N 443.504 0.601 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cs1 1837441078 QINXBYMXPQFMQY-MHRHTVJOSA-N 449.577 0.922 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccc1 1837446943 KXCRHKSGBKZVTE-KADOOAIWSA-N 431.537 0.977 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837524344 FZVUQAZIIZFXMK-ZISMNVMJSA-N 448.476 0.386 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837531455 NCBKWEBONZJXFP-JPHKLTHBSA-N 447.488 0.991 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559950 FRKHNACDSUEVFU-UWDDZFTESA-N 434.493 0.070 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2)C(F)(F)F 1837632318 NNQKAFQIVSQMEX-GOSISDBHSA-N 442.394 0.595 30 20 ICED Cc1cccc(C)c1SCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837709591 WFLMBYDEUKOUKZ-QFIPXVFZSA-N 446.525 0.940 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838080683 HLSMXGULBVLNCP-MEDUHNTESA-N 436.456 0.827 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](C)S)CC3)CC2)CC1 1838300827 FAPQDSVWSMLZAD-INIZCTEOSA-N 440.610 0.467 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907053 WHNWVCIOBXKVLH-AOMKIAJQSA-N 428.489 0.495 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839225422 JKKYCPSPUCCICT-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839227167 LBQHQDQXKPZODM-SVMVAKDDSA-N 448.520 0.667 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839889440 VBAAXXQEXVEDHZ-KRWDZBQOSA-N 434.509 0.138 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(Cl)c3)C2)C1 1840039670 CMNDQZBNXBHBMX-FQEVSTJZSA-N 436.848 0.263 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840039853 IRWWIHUPQPMRPA-NRFANRHFSA-N 430.844 0.236 30 20 ICED Cc1cccc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c12 1840042263 JTZUZVMRAMNCHJ-JOCHJYFZSA-N 425.441 0.634 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)n1 1840161371 MJYZAQJYZAHKEA-MGPUTAFESA-N 438.550 0.062 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1840279009 GEJXDRORTSSTLR-QVKFZJNVSA-N 436.530 0.790 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840401460 RPBDISNHQCXDGD-VPVLLMPFSA-N 445.520 0.067 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497622 LLRRJEKKWWJLCO-IBGZPJMESA-N 425.432 0.998 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)O)C3)C2)cc1C#N 1840763730 OUUWPZWJEAFQBA-AOMKIAJQSA-N 431.489 0.796 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1840843194 AFYFPQLCUAXSLV-OAQYLSRUSA-N 434.514 0.947 30 20 ICED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841232645 FCYNXDTTZWSLSH-IZPCHGGPSA-N 426.539 0.765 30 20 ICED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302884 UXNLTXKFSAYRGA-QCBCRBAMSA-N 441.525 0.789 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 16792510 SSVUBVAZNNVFOE-INIZCTEOSA-N 437.518 0.534 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 429662739 DQIVKZIDKLFEMM-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289494 LVHWRHZATYSTIL-DOMZBBRYSA-N 427.493 0.880 30 20 ICED CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCn1c(=O)c(C#N)cn(C)c1=O 440573795 IKXYQTQBZRYNJK-UHFFFAOYSA-N 425.488 0.076 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 464430448 ZJPGISIAXRKYGZ-UHFFFAOYSA-N 438.487 0.784 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 470421687 GMDJVVZMZYYPPJ-HYVNUMGLSA-N 425.507 0.097 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 480306653 LERJYIOJPYWRHI-CYBMUJFWSA-N 441.469 0.916 30 20 ICED CC1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 482624322 VCKNQNBIIVHRQE-AWEZNQCLSA-N 433.939 0.794 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1=O 484426054 UNQQREHLNPTMNS-CQSZACIVSA-N 426.481 0.976 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cc2[N+](=O)[O-])c1=O 487399274 ROOKKQKNROGUQO-UHFFFAOYSA-N 449.286 0.899 30 20 ICED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 488833120 ZVEZPBHMABTDQT-UHFFFAOYSA-N 429.458 0.743 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 491054288 UUQVHRRYCJGGPR-UHFFFAOYSA-N 431.496 0.866 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)n2)cc1 491344631 BTDWNZDJSXYTBJ-QGZVFWFLSA-N 449.446 0.736 30 20 ICED CCOC(=O)c1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 499523530 XXLOLQZZMIJDFH-UHFFFAOYSA-N 449.464 0.604 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 502592031 CYRXXBMMMZKAOW-LJQANCHMSA-N 425.599 0.569 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 508798798 XJOJQVXRMVHLBR-ZIAGYGMSSA-N 432.572 0.079 30 20 ICED C=CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 512069380 XHJVHYDWQPYPFN-LBPRGKRZSA-N 446.507 0.246 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(CCOC)CC(=O)Nc2c(C)cccc2C)c1=O 514488392 KWZRZTHQPNIHGS-UHFFFAOYSA-N 441.488 0.632 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)c1 519015863 VNWOHELEGRAJNH-MOPGFXCFSA-N 426.521 0.361 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] 537739351 JPGFHMRUKRHJFM-UHFFFAOYSA-N 444.469 0.430 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 543369258 XKDMDIXXYRPWBK-HNAYVOBHSA-N 441.513 0.927 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543925512 ABMPCQCFZJQFKU-UHFFFAOYSA-N 448.480 0.609 30 20 ICED COC(=O)c1ccc(OCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 547306452 AAVDFNMRYOVHFM-UHFFFAOYSA-N 448.439 1.368 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)cc1 560241951 FJUIOMVURPUMMQ-UHFFFAOYSA-N 437.522 0.257 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 569146362 HQXBROCAEBKCPJ-UHFFFAOYSA-N 427.526 0.874 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)c1C#N 583055861 SYPIWQZBFMSXRV-UHFFFAOYSA-N 442.501 0.865 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCCOC2)O1 587659738 XVHCSCICMVTYDS-ZHRRBRCNSA-N 427.505 0.835 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 608911083 IOEKKRHQSZVZDW-UHFFFAOYSA-N 436.946 0.672 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038093 DYTJCUWYJXKCBN-UHFFFAOYSA-N 435.509 0.208 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 609634347 JEMBHJDQWLQKLZ-SFHVURJKSA-N 441.575 0.767 30 20 ICED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669813338 NXROGRDONFJHDU-UHFFFAOYSA-N 436.538 0.980 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O 726042912 OOGKYMFWAVEVDE-UHFFFAOYSA-N 437.430 0.610 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 726889408 REODNVCBMDASRE-KGLIPLIRSA-N 438.531 0.878 30 20 ICED C=CCOc1ccccc1C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729208052 RYGZKHMFSMQIDT-UHFFFAOYSA-N 426.473 0.960 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 729281621 KHPSTTZPEVCOOZ-SFHVURJKSA-N 426.517 0.722 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 729281626 KORHUITWKHJSOS-UHFFFAOYSA-N 434.562 0.614 30 20 ICED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 735841468 RGRVSIYOQFIZKQ-OGLOHFSISA-N 425.445 0.877 30 20 ICED CN(CC(=O)NS(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739144145 WOYBAFRMYWHGSE-UHFFFAOYSA-N 438.443 0.592 30 20 ICED C[C@H](CC(=O)Nc1cnn(CC(=O)NC2CC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742558542 KPUPHNXRCGHTJB-GFCCVEGCSA-N 430.490 0.618 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 755554616 UKQHDPPSNXANTM-CJNGLKHVSA-N 445.476 0.625 30 20 ICED C[C@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1=O 761467585 PXGFIMIMRPSPFG-HOTGVXAUSA-N 447.513 0.940 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 767840443 JUTJHNFDTKTHGV-XCLFUZPHSA-N 441.469 0.723 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCCC1 779319110 BCEMHEMQUIAAEA-UHFFFAOYSA-N 434.522 0.435 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 781870838 XUGOVBYOZHHOCG-UHFFFAOYSA-N 443.441 0.921 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 782999662 LONFUCUKIBTQOC-INIZCTEOSA-N 445.563 0.544 30 20 ICED Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 783041222 FOTKWHIECAFVRP-CQSZACIVSA-N 429.462 0.739 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 783347154 KTSIHZBPXQQTET-UHFFFAOYSA-N 433.280 0.876 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 784557247 QQBPXPZRBPZSJZ-UHFFFAOYSA-N 436.472 0.492 30 20 ICED CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 787034693 AZMBYDMOGHACCN-TVFCKZIOSA-N 431.514 0.998 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 799284032 WPSQSQXEBCZNBJ-ZDUSSCGKSA-N 425.507 0.601 30 20 ICED N#Cc1nc(F)ccc1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 808047263 VADZYYAZIKHXOF-GOSISDBHSA-N 426.404 0.982 30 20 ICED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813984652 ZDINFKWCAFWALR-CYBMUJFWSA-N 426.451 0.605 30 20 ICED COc1ccc(NC(=O)COC(=O)C(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 915790866 XFFLLVPEPKKYTP-UHFFFAOYSA-N 425.463 0.748 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 917662033 VLEBOKDHRNWXKP-INIZCTEOSA-N 443.570 0.868 30 20 ICED C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918261624 WYWLIDOPUQIKHG-IHLBYEDJSA-N 432.506 0.839 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccccc4OCC#N)CC3)ncnc21 920632064 FZXOCTACLGIFRX-UHFFFAOYSA-N 435.444 0.771 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1194536164 QQCKSNUJOQABGB-UHFFFAOYSA-N 434.566 0.632 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1286961563 VZWCRDPWFMWCOP-IKGGRYGDSA-N 441.602 0.985 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303004196 OCMDXRREPQCVQN-RDBSUJKOSA-N 443.430 0.221 30 20 ICED CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1305989378 QPDOJHVZOINRFM-MRXNPFEDSA-N 434.522 0.697 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1323038582 KDROEPJQFKQEEC-UHFFFAOYSA-N 443.500 0.737 30 20 ICED C=C(Cl)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1539824362 RFVFIVKALKWSNV-IBGZPJMESA-N 426.949 0.941 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 1611706775 FRRBNLYVTQOMDA-OCCSQVGLSA-N 436.567 0.570 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NC(C)C)CCOC1 1616253682 UNPXTQCDOGTHAI-UTKZUKDTSA-N 431.541 0.631 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1=O 1641371677 MDVPCJQYHQGBPC-UHFFFAOYSA-N 426.376 0.975 30 20 ICED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)cc1F 1664251395 UPIKWPPKZMTZBZ-LBPRGKRZSA-N 448.473 0.503 30 20 ICED C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1693845341 OQBNPMXEXVPKRW-FGTMMUONSA-N 431.541 0.629 30 20 ICED CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695351744 PVWHQXGPWVHTPF-KBPBESRZSA-N 433.542 0.675 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1695534796 HQCLERUEWHZWNA-XLIONFOSSA-N 431.518 0.982 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC=CO2)C1 1698314079 VYQLQVBYYDSGTD-OAGGEKHMSA-N 438.510 0.032 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1730764062 QOJFJEWHGYJJJE-DLBZAZTESA-N 440.570 0.267 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740822682 NSTVWGFWCYOKSO-DZGCQCFKSA-N 446.961 0.421 30 20 ICED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1743362775 KPYTZMXFAIDXRJ-INIZCTEOSA-N 447.565 0.523 30 20 ICED Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)o1 1751495004 KPEQUWDLPOPZEY-INIZCTEOSA-N 433.538 0.915 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771536461 TXKIWSDKSILLSS-QAPCUYQASA-N 437.909 0.877 30 20 ICED Cc1cnc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cnn2c1 1779023467 LXDLZXBYXAGJTD-IIBYNOLFSA-N 425.445 0.253 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(F)(F)F 1779100789 YHMGFOBKTVNFSC-IQKVJTSMSA-N 437.415 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COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(OC)OC)C3)C2)c1 1838579509 NABDZSGFSCYFIC-NRFANRHFSA-N 433.461 0.256 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1838581769 OKADRJORLSPLMH-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628102 VOINXFZRQOLJPV-HXUWFJFHSA-N 446.416 0.697 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838830579 GGLRMCSZDCRCQG-VGSWGCGISA-N 448.520 0.518 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1839064040 MQLBPLNDKRKVDB-AVRDEDQJSA-N 435.569 0.066 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222629 UKWSRHPHIFXWOO-LAUBAEHRSA-N 440.541 0.550 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839223042 KGSTUMSQHRPYFQ-BTYIYWSLSA-N 447.492 0.051 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1839225729 RKQDFKYRBQAUCN-YCRPNKLZSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584075 WZTMUTQTLOIYTH-ZHRRBRCNSA-N 447.536 0.780 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839887702 MVSQOIGRCHZGMS-IBGZPJMESA-N 441.431 0.677 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840165195 PSKHMGROYHADMU-VWKPWSFCSA-N 435.546 0.580 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840231900 IZAGLBPDYBFBAR-AVRDEDQJSA-N 426.473 0.154 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840293407 AFVAFNDZFMVVMR-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371856 FWRZTNRRDIISLV-DKZVUGQWSA-N 447.536 0.126 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847473437 FVURHCABEPPMEU-HOTGVXAUSA-N 437.847 0.333 30 20 ICED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)cc1 463526564 MICFRQPBCCFYHA-UHFFFAOYSA-N 439.471 0.819 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4nccnc4C#N)C[C@H]3C)CC2)o1 464861601 UVKXIMOXEJJKQC-OAHLLOKOSA-N 435.492 0.376 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cnn(C)c1 471633025 DWXCGIWBBVKEJB-FCHUYYIVSA-N 436.516 0.925 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)CC2)c1C#N 471675360 CVTXQSFLVYEEIB-UHFFFAOYSA-N 439.501 0.758 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCN2CCN(c3ncccn3)CC2)c1 473445515 ZDAZBQWUCAQMJX-FQEVSTJZSA-N 433.516 0.778 30 20 ICED N#CC[C@H](CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 476068740 AUNNFEUJLAKTQQ-MOPGFXCFSA-N 432.546 0.521 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1 478843812 UZMNMRNETYHRAX-OAHLLOKOSA-N 442.493 0.497 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1)C(N)=O 483470587 CFSUCTYCJFUGQZ-CYBMUJFWSA-N 449.533 0.996 30 20 ICED COc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1S(N)(=O)=O 485993593 YHLHKYAZVINLFY-ZDUSSCGKSA-N 434.499 0.807 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 489041339 MPYSMXSODFZDRH-MRXNPFEDSA-N 446.488 0.502 30 20 ICED N#Cc1ncn(CCNC(=O)NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 496673684 XXQQOQZQULNEOE-QGZVFWFLSA-N 425.449 0.280 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1=O 498446546 RRZFESCUCTXYDB-UHFFFAOYSA-N 448.501 0.213 30 20 ICED CNC(=O)Cn1nc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 503982412 SHZSLROAOSLYOT-UHFFFAOYSA-N 445.505 0.348 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n1 505073180 FAMWLFNQYSEBOT-HNNXBMFYSA-N 444.496 0.869 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2ccccn2)c1=O 505662122 LUVVWSJUUZMLSS-MRXNPFEDSA-N 449.536 0.698 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnc4n3CCCC4)CC2)cc1 506142112 AODXGKYVHXZAOY-UHFFFAOYSA-N 429.506 0.702 30 20 ICED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 506581647 QYIITSYBNAFZMP-CYBMUJFWSA-N 426.470 0.793 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c(F)c1 507166202 VKJVGTFJEXDIDQ-SFHVURJKSA-N 449.552 0.151 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 507367626 LTWLOFQGWDHBIN-HNNXBMFYSA-N 446.533 0.769 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507399027 FEWFCKOJNMEADN-UHFFFAOYSA-N 432.506 0.381 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 521593700 MOJLDJSNOMVXOU-HNNXBMFYSA-N 436.490 0.559 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)cc1 523077053 BUDXFBSGXGVMPI-UHFFFAOYSA-N 425.511 0.720 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C#N)o2)c1=O 530317962 UVVVXXUHENERMM-CQSZACIVSA-N 427.482 0.910 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1OC 530721826 HZMVXIVXVPCAQK-UHFFFAOYSA-N 429.498 0.449 30 20 ICED CN(CC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 537717531 WQSZSPLSZBHOOV-QGZVFWFLSA-N 441.469 0.568 30 20 ICED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542070961 NCZFJTQFDMAEJJ-UHFFFAOYSA-N 431.836 0.862 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 543218833 HLGVWQNKNNAXRB-UHFFFAOYSA-N 440.460 0.669 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 549087618 WXSYGFVUSZYAEY-INIZCTEOSA-N 425.532 0.606 30 20 ICED Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 553908856 AXXJXESTMYKZEJ-DGHVEJQWSA-N 446.602 0.996 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)cc1 556178975 LYBCVAAELCENBZ-UHFFFAOYSA-N 427.486 0.602 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 559986736 NENQMQCNVNMNCZ-QAPCUYQASA-N 435.440 0.473 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)CC2)c1C#N 562101265 BQMTUWIEJUHSND-JKSUJKDBSA-N 429.525 0.012 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 570033487 XDRYPSIOXQDVNM-IEBWSBKVSA-N 436.459 0.357 30 20 ICED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 576992141 VTKXBNBJOBPGAH-ZDUSSCGKSA-N 435.296 0.588 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C(=O)N1c1cnn(C)c1 589403687 TYJXSVJBXCGVOT-DOMZBBRYSA-N 433.432 0.121 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 603784648 FKEGDNXYKVPANY-OAQYLSRUSA-N 440.525 0.844 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 608911060 HEDGMLMDJPITGM-UHFFFAOYSA-N 438.431 0.442 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 729503521 VIQNIZOWWOOHKS-DZGCQCFKSA-N 444.531 0.342 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCOC 742531143 XMBFBEUXUGUJHL-UHFFFAOYSA-N 439.896 0.614 30 20 ICED COc1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1S(=O)(=O)N1CCOCC1 746268056 FCCGDUWYIWLMBK-UHFFFAOYSA-N 449.485 0.765 30 20 ICED N#CCN1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 748329290 HBONITYVGBUNSB-QGZVFWFLSA-N 446.529 0.975 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 749667451 SBFPMRBDVRZKDE-UHFFFAOYSA-N 429.477 0.024 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 757292717 NHZMZACGQFHCKT-CQSZACIVSA-N 435.444 0.981 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758088949 HVOWCLNYSSUSGN-UHFFFAOYSA-N 435.505 0.891 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758450635 WCZWQMIJHSHSPJ-IKGGRYGDSA-N 436.557 0.987 30 20 ICED CCc1nnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1CC 758461862 TUAGCAWNKBSFPV-CYBMUJFWSA-N 427.552 0.112 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)cc1 771570062 XPXNFVVKQNLABV-SFHVURJKSA-N 432.454 0.956 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 771897434 MUSADIRDOYOGTE-UHFFFAOYSA-N 429.499 0.186 30 20 ICED C[C@H](CC(=O)OC[C@H]1CN(c2ncccn2)CCO1)/N=C1/NS(=O)(=O)c2ccccc21 774631282 VFELSFVFZWPUJY-HUUCEWRRSA-N 445.501 0.742 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783958486 UEGRGCDOLLXAIX-UHFFFAOYSA-N 428.857 0.910 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 794743715 XOSFGMGKXIOAMR-INIZCTEOSA-N 433.486 0.632 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnnn2C)c1 807539064 CHXFDPITOAFNKD-HAVVHWLPSA-N 447.521 0.663 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838689000 DVOTWNGLXBMZPP-UHFFFAOYSA-N 429.452 0.940 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)NCCC#N)o1 915248822 CWINNTSQONLJEH-GFCCVEGCSA-N 427.435 0.182 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 915477309 WLKJJDIEQZLAPP-IQUTYRLHSA-N 425.507 0.945 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CCOC)CC1 916199397 GFEBJJKCTIVSMN-UHFFFAOYSA-N 444.532 0.362 30 20 ICED CCN(CC)C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 920786796 YZRQIOFJOFFDEG-JWGURIENSA-N 437.522 0.423 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1116144995 LSWWTHNFCZMRJV-HNNXBMFYSA-N 438.531 0.132 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1 1166615568 XKGNHNIZNKHBCC-UHFFFAOYSA-N 433.490 0.396 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1303405612 WVDQIIMFWLMCPA-ZBFHGGJFSA-N 435.554 0.028 30 20 ICED C=C[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1320433104 KXMFHSFNGHZFOU-INIZCTEOSA-N 439.534 0.475 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1333087424 WPQYUULZMYZGRP-GOEBONIOSA-N 433.490 0.303 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCN1C1CC1 1462159427 DOYJUTHDLPAXCY-VQTJNVASSA-N 425.533 0.958 30 20 ICED CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1710600213 JCQKXNRGBIBJGQ-CHWWFWEZSA-N 427.465 0.584 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N(C)C 1761500642 MMGHBIOOZDRRNU-RYQLBKOJSA-N 447.565 0.920 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC(=O)N1C 1763083031 VFFDDXWADYWKRE-GOEBONIOSA-N 428.518 0.918 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770360643 MRRRKSDPPAXNEF-UHFFFAOYSA-N 441.521 0.416 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1778959034 DOPDJJJXRZXVMI-ZHRRBRCNSA-N 443.504 0.475 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1779420051 LXMMBHHNRQXZGD-OUEKDSKHSA-N 438.481 0.138 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781015114 HFRHOVYGQGQANY-JKSBSHDWSA-N 435.521 0.864 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)cc3O)C2)C1 1781527301 KRGUWXYOIFDFBL-SFHVURJKSA-N 437.246 0.686 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)ncn5)CCO4)C3)c2c1 1782191909 BJSZJYLGFZEVMY-NRFANRHFSA-N 433.428 0.687 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c1 1783910552 ZPWZKPNDTGYMHQ-UFYCRDLUSA-N 440.500 0.923 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545382 QELSDMAZXHDDBK-FQEVSTJZSA-N 444.538 0.862 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786481372 KVMCSGXZJCTGID-XSLAGTTESA-N 436.553 0.444 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)cc1 1786886480 YQKGCLZITSWFCE-MUGJNUQGSA-N 441.532 0.063 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)cc1 1792556961 BIXCDQLTHYFYMN-XEMDLRDOSA-N 446.467 0.752 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1792837514 ZJRMROAWWQVTSB-MFKICJERSA-N 441.871 0.206 30 20 ICED C#CCO[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 1793343143 MEXFSBHYKSVGFV-REGYPHIPSA-N 440.500 0.119 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1c(C)cccc1C)C2 1793346060 YLFBLTDNNHWTFX-GNBUJSLZSA-N 427.501 0.870 30 20 ICED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(N3CCCNC(=O)C3)n2)CC1 1794841095 WHVWVWPSCWMESL-BJWYYQGGSA-N 436.516 0.963 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796718427 DTBOVSRFAWSELY-ZJOBFFGXSA-N 434.449 0.793 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798627152 ZQORWGDIGDHUPK-ZJOBFFGXSA-N 445.428 0.565 30 20 ICED C#CC(=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 1800452383 INGZKEAJAQBEBN-PZPPHJHLSA-N 435.521 0.217 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)c1ccc(O)cc1 1801055145 GZAULLHVHPTYRH-ZGHDPVSRSA-N 439.512 0.615 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1802488437 XILGUDVYNDWFLP-RZWOQVAPSA-N 439.516 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802610661 KWBCQLTWAAYWCV-QWFCFKBJSA-N 440.548 0.895 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccn3c(O)nnc23)[C@@H]1c1cccnc1 1808194996 UPTKUZRXVIABGM-KSSFIOAISA-N 434.412 0.238 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812388616 LQVOXARHSOWNOR-OIISXLGYSA-N 436.534 0.585 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)N2CCCC2)[C@@H]1c1cccnc1 1812875524 XOQHZHGNPRWDED-HTAPYJJXSA-N 426.473 0.578 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1813455136 RKKIMDJIGUVDPV-GUMPUFBISA-N 436.516 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1820894989 ZKXHQHBRKYMKJL-OAHLLOKOSA-N 431.497 0.751 30 20 ICED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825115581 GEQPDBHKTLZXDH-KGLIPLIRSA-N 440.591 0.998 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2)C(F)(F)F 1825261049 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1831392176 JWEDCTGXSZSDLE-JTSKRJEESA-N 426.473 0.443 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831495856 OOOMBXKTQNNPKQ-RXVVDRJESA-N 436.578 0.933 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832348118 XEUVXGSLKFHTJR-XMSQKQJNSA-N 438.521 0.911 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1832451987 NQLNDRLCWMWQDX-SFHVURJKSA-N 426.564 0.765 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)ccn3C)CC2)CC1 1833467332 PURNMEXSMVNCLV-KRWDZBQOSA-N 428.533 0.609 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1833705262 WLQIXBDZVGAZMK-QGZVFWFLSA-N 425.599 0.924 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834083204 NGUAYIUOJNYOPC-KRWDZBQOSA-N 428.533 0.609 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835593009 YTIQEJCOFVIACH-DQPQLVGQSA-N 440.541 0.345 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835673022 RNVHZULTKCEIIW-HSZRJFAPSA-N 443.548 0.671 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)c1 1835702417 CRYRBCUPCJOYDG-NFBKMPQASA-N 435.484 0.723 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CSC(=N)N)CC2)CC1 1835713368 VFNVPDVUKKPFMH-MRXNPFEDSA-N 425.599 0.758 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836135977 HVXXSPHWATWUIS-OAQYLSRUSA-N 447.612 0.786 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)n(C)n3)CC2)CC1 1836201675 VHRXOCIBXWCDPM-MRXNPFEDSA-N 431.537 0.652 30 20 ICED N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccn1 1837442298 VUMNIMZZEDDGJA-IORORUSLSA-N 444.536 0.010 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837490598 IDUJNCYCKVHOJH-QFIPXVFZSA-N 430.505 0.487 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837527670 SKYBTCVCSOCSNF-DJQBUIFPSA-N 449.508 0.177 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1837869459 PJCXVNVZEYYDDV-MRXNPFEDSA-N 433.553 0.403 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C)C3)C2)c1 1838580480 FLHFZMOLBJRMCP-QFIPXVFZSA-N 430.505 0.589 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4Cl)CCO3)C2)C1 1838600420 WVJBGPMPBDILIP-NRFANRHFSA-N 432.908 0.843 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628806 XFPQDVCXEUUECL-NRFANRHFSA-N 445.428 0.807 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742276 BVVRTVARCIMIJJ-OAQYLSRUSA-N 432.477 0.546 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839225529 LUJVGZGKMMCHIB-MGPUTAFESA-N 438.481 0.692 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2)C(F)(F)F 1839373654 RUGYWBRMEHOKCI-GOSISDBHSA-N 446.378 0.992 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017937 MKVHCGCJVHXUJM-UMRWDKDBSA-N 445.541 0.671 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840040198 RIQVNVDHQIEURC-QFIPXVFZSA-N 430.457 0.091 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840162303 RZDREBAIXBKMSV-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840293815 WSQRAZHEIVEVCC-QFIPXVFZSA-N 425.489 0.993 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1840758938 IFBVYXYZHDGEGQ-YJYMSZOUSA-N 439.490 0.992 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c(C#N)c1 1843009357 NKWAHSKFIMNMCV-UHFFFAOYSA-N 447.455 0.358 30 20 ICED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)cc1 1843412379 LUYBCMYXFGAUAK-UHFFFAOYSA-N 430.530 0.730 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCO1 409593061 ULMXWORAIMTAEC-MRXNPFEDSA-N 427.914 0.047 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 439217764 SKYSXXFLCHQCGH-DLBZAZTESA-N 434.518 0.701 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)n1 441933686 LNUSMEOVXBPHJU-AWEZNQCLSA-N 440.525 0.522 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1=O 445712469 SDBFJGSCYQRGGF-UHFFFAOYSA-N 428.361 0.314 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)nc1 467996365 VPFASVXHPBGAIC-SFHVURJKSA-N 446.467 0.532 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 473274423 FJIWXEPJOXKFMQ-UHFFFAOYSA-N 447.455 0.292 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCOC1 479369199 ZJMHSHFCZTZROG-HNNXBMFYSA-N 442.541 0.769 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 480187618 PQQXRVBULMOVHU-UHFFFAOYSA-N 432.933 0.052 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C#N)cn1CCOC 481487734 CIVKLKFYRHVMBA-RBZFPXEDSA-N 446.464 0.683 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)[C@H]2CCOC2)cc1 485174430 QLCHZJKKOXOIAV-LSDHHAIUSA-N 425.507 0.193 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 487972064 LTRRHWMRNJWTIM-OALUTQOASA-N 443.614 0.051 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)cn1 499385349 VVRXCYYTTIYYLY-UHFFFAOYSA-N 449.265 0.857 30 20 ICED Cc1nc(SCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c(C)c1C 503097783 VGAQFLYBNXHTJB-UHFFFAOYSA-N 443.529 0.790 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 505099558 UAXSJTCQLUKYJX-UHFFFAOYSA-N 449.916 0.527 30 20 ICED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1)S(C)(=O)=O 506700670 DPEDKRXSFFEVSU-AWEZNQCLSA-N 445.505 0.207 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CCNS(=O)(=O)c3cccnc3)C2=O)cc1 508105957 OKPCXSZEXLJZEE-SFHVURJKSA-N 427.486 0.933 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 530318201 OTDRPNHVDNEUQW-JTQLQIEISA-N 437.930 0.609 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCCO1 534603256 XTFUNADZHYRVQM-HNNXBMFYSA-N 445.566 0.902 30 20 ICED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CC2 553585551 DQQCCSISQDHQEU-FQEVSTJZSA-N 435.532 0.871 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@@H](C(C)C)C1 559003422 IBSSBBURMGVWKM-IAGOWNOFSA-N 426.587 0.964 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N 563997026 QNHOTDUEHWAUPE-UHFFFAOYSA-N 431.474 1.441 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 566031543 RJALMQLKHFVIOU-FDDCHVKYSA-N 440.500 0.966 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)CC2)c1C#N 571437342 HAZLXCQNYCDVFD-WOJBJXKFSA-N 435.532 0.810 30 20 ICED CN(C)CCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 573243631 UIQGHBALABHNPQ-UHFFFAOYSA-N 431.928 1.336 30 20 ICED CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 574718766 SFQUDUGQFQJBHN-SFHVURJKSA-N 434.456 0.840 30 20 ICED C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 578977484 ABYYPVDOUQNGPY-GOSISDBHSA-N 432.488 0.854 30 20 ICED COCCOCCc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]1 579736703 RMGFZPNTRPTTMW-UHFFFAOYSA-N 447.517 0.634 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 582083486 WRQVUEQVJWKZFQ-UHFFFAOYSA-N 443.895 0.616 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 584563073 WTNPNEBFAGKVRQ-UHFFFAOYSA-N 447.415 0.729 30 20 ICED CN1CCO[C@@H]([C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 588127413 GFQYWOXIXCRHLG-RTBURBONSA-N 433.940 0.932 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 608828825 MSHZUCMBYVSFAU-UHFFFAOYSA-N 448.479 0.919 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 608884485 JTGMMCHJCMNERQ-UHFFFAOYSA-N 436.493 0.568 30 20 ICED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 610572474 IWDXGDGKHGLRFP-UHFFFAOYSA-N 440.548 0.436 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 669817971 ACKNCQMMKPCEAV-UHFFFAOYSA-N 439.568 0.848 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(OCC#N)cc2)c1 729229248 YGBGHELMAKHYGI-UHFFFAOYSA-N 431.474 0.935 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)NC1(C#N)CCCCC1 731809192 PWUIBVKZBVVDBW-UHFFFAOYSA-N 444.473 0.696 30 20 ICED CC(C)C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 731863445 WMGKQVOQAQCCGI-MUXVIGPSSA-N 428.489 0.995 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 733150303 HIXOYYWTUISIHS-BZSNNMDCSA-N 448.589 0.177 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739124833 WRYHCMYRUILYPU-MZXJMKCSSA-N 449.533 0.598 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 740516450 DXCQVJZHMWMODC-UHFFFAOYSA-N 429.495 0.268 30 20 ICED CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743726996 ZZQHYLJOIPWBBW-UHFFFAOYSA-N 432.546 0.907 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 749667673 WAZDBWJARWJBIG-QZTJIDSGSA-N 443.548 0.685 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 755937196 LMYXYEFWUHMOKQ-SBUREZEXSA-N 438.532 0.911 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 762938227 AWGCBBQVOXCJCD-CYBMUJFWSA-N 436.490 0.338 30 20 ICED COC(=O)c1cccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1OC(C)C 799255753 UGDAIHYPWKGFDB-FBMGVBCBSA-N 444.444 0.842 30 20 ICED C#CCN=c1nc(N2CCO[C@H](C(F)(F)F)C2)[nH]c(N2CCO[C@@H](C(F)(F)F)C2)n1 804484922 JSWUHOFSKMKQLV-PHIMTYICSA-N 440.348 0.874 30 20 ICED Cn1nnc(Br)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 809973291 MCEHIALRVQIKGE-UHFFFAOYSA-N 439.295 0.596 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)c1 816745037 MBPBKLDCZZMBGU-QUCCMNQESA-N 448.589 0.905 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 839237552 KYXXQLSQRRKEQK-UHFFFAOYSA-N 437.525 0.597 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 893441324 HAFXVGRRMMQVRN-ZDUSSCGKSA-N 425.463 0.265 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 913047221 UVALLSHPNAVERF-ZFWWWQNUSA-N 427.548 0.835 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 919316097 SPRKJICUFVGGBC-UHFFFAOYSA-N 436.467 0.547 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)Cc2ccccc2F)CC1 921154650 YMILLGOOQPEUBH-UHFFFAOYSA-N 444.488 0.778 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1296330395 SWOANPCZPCXNEM-QGZVFWFLSA-N 445.549 0.813 30 20 ICED Cn1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1298842001 KQDUZDHGIGDIBG-KRWDZBQOSA-N 448.553 0.523 30 20 ICED COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1299798227 RZUFHRHDNPWOJV-HUUCEWRRSA-N 426.543 0.966 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1303403420 ZIUXKEFNVQBMSS-INIZCTEOSA-N 425.541 0.960 30 20 ICED C#CC[C@@]1(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1324125984 SLUSRBWOEYXUQB-KUHUBIRLSA-N 428.507 0.626 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1503622995 ZSSZLDLEPUUNSH-UHFFFAOYSA-N 431.522 0.328 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1504924979 JFFALLRBHUMEAT-UHFFFAOYSA-N 427.509 0.585 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CCO1 1555996225 XKFTWHYUIKYGQQ-SFHVURJKSA-N 428.468 0.986 30 20 ICED COCC(COC)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1634108269 KLZLENIWZVUITN-RDJZCZTQSA-N 425.530 0.734 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)CCO1 1712886404 RNWVBHWEYQSIJV-AWEZNQCLSA-N 429.506 0.621 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1722478477 WUGBTKLZLDSNQY-UHFFFAOYSA-N 429.319 0.620 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708708 NYHZMYMQBGNLHJ-FPTDNZKUSA-N 427.457 0.856 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1778959032 DOPDJJJXRZXVMI-OPAMFIHVSA-N 443.504 0.475 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779061434 XZFAVGXLEKYLQI-HSZRJFAPSA-N 427.501 0.989 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779334491 ZETPZIVENIRUGF-CBGDNZLLSA-N 449.508 0.878 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1779334950 BIWAZWBDHCGWMD-YCRNBWNJSA-N 436.597 0.321 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc(O)n3c2CCCC3)C1 1779576886 QCJOLPHZVSVTLE-QVKFZJNVSA-N 430.461 0.141 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1780167422 UOAPKGSZROJBEL-NRFANRHFSA-N 429.477 0.282 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780803636 JASFETQOYUMWOY-MXHNKVEKSA-N 442.513 0.366 30 20 ICED C#CC(=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 1783477933 CEOZHRFGQIASSW-RZFLPCETSA-N 435.521 0.217 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783602649 ITIKURSNEMLJBC-BTYIYWSLSA-N 439.509 0.849 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1)n1cnnn1 1783919373 JOOFQGBNWAWACH-CBVHJVASSA-N 442.907 0.919 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1785419416 CAJBIOGJPXEFHY-IXFSTUDKSA-N 449.548 0.848 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643569 NNCWRYQBMJYMSE-PYTWLRIVSA-N 432.477 0.341 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)n1 1787749515 FSAHRKMZHUEPGO-YDHLFZDLSA-N 429.433 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4O3)[C@H]2C1 1788184141 JWQXZOXXUZANMX-GOYFQBHRSA-N 439.512 0.828 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1788658812 XYNRGRAOBKTAKM-WLWTYTGRSA-N 433.461 0.762 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4[nH]nnc4C)C[C@@H]32)c(C#N)c1 1789839712 ZMDMHCMXMXHSAI-SNRMKQJTSA-N 438.488 0.829 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)cn3)C[C@@H]21 1791075773 XPABYXLGFHMLDH-GVXVVHGQSA-N 426.351 0.177 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1791260691 ZMXTVQGHFOSLBF-IKICRFKJSA-N 440.587 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1792490290 MGIJMOLKJQUBOW-XXGILCFXSA-N 437.500 0.484 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1792918981 KMVUELFXXOSJJV-BJWYYQGGSA-N 439.468 0.493 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1793343207 OHZMRUAIGYOFFS-BCEDRHLLSA-N 426.473 0.297 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793386870 SKQJETGBVXXUCI-HNJRGHQBSA-N 432.590 0.927 30 20 ICED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794035513 VDQZQBQAJVWLDM-VMTASOTGSA-N 444.536 0.196 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1794403609 TWTMQYIYEFMOKS-CWPLJXCYSA-N 431.514 0.243 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)c(C#N)c1 1798487264 RUIDPEOHDBNYPJ-VQQMMKBISA-N 442.516 0.398 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1799375824 SHZVXWBKJUEEKE-DLRJPAPCSA-N 426.473 0.147 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1c(O)cc(O)cc1O 1799658352 OTIAOBGMWGGVFB-JSOGOZJLSA-N 432.477 0.478 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746617 GFUYIIKWSSVUTG-FRQROOTJSA-N 431.468 0.608 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)c([N+](=O)[O-])c1 1799823660 ZKRFOFUVVKEXLO-YGSHXTJESA-N 437.474 0.903 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799839349 VTSSWWACGVCSLS-LLLHUVSDSA-N 430.530 0.568 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800242941 ADBFAMNNROQROR-PIKOESSRSA-N 432.590 0.927 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1800545510 LAQOKPRQNGJSQO-AGGWBTHJSA-N 435.431 0.746 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c1 1801343688 FOPGUZDMZDUTPJ-BBIADKPPSA-N 435.484 0.949 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1802488390 VSVPINFHGHECPX-ZEUIOTOJSA-N 436.472 0.343 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1803452374 MSSSHFBLLSSEDB-QPPBQGQZSA-N 437.544 0.665 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1805169503 ZYWONCRASSEXCR-FDDCHVKYSA-N 446.511 0.756 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1807149521 HRFYCPXAWDINSZ-XKGZKEIXSA-N 440.548 0.895 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807603758 WONXWWMQNGGRNW-PXNSSMCTSA-N 426.477 0.889 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1 1809822926 XQOAFWDSZPVAJX-SFHVURJKSA-N 432.565 0.509 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1810252429 IFMQFMBICSXVKK-SOLBZPMBSA-N 446.504 0.204 30 20 ICED COCCOCCOCCOCC(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1812941626 RUMOTAPCSMEXOA-SIKLNZKXSA-N 448.520 0.697 30 20 ICED Cc1cc2nnc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)c(C)n2n1 1818590476 QAUQCXWESFSIRK-CQSZACIVSA-N 436.432 0.858 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819394731 XQUSXHFYDRBUOX-QOXNFRGXSA-N 449.512 0.938 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)[nH]n2)c1 1820306653 WHYSWMHTXYIVGB-CQSZACIVSA-N 447.419 0.355 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)[nH]n2)c1 1820309399 ZUTMLRBXQWJVIP-APWZRJJASA-N 427.465 0.566 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200796 PVFDXZRLWQUKGP-UONOGXRCSA-N 449.464 0.375 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825074661 PEIUOKNPKNAWET-BBWFWOEESA-N 434.537 0.777 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830417759 HNXMIRCWPWWBTK-WBVHZDCISA-N 438.525 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1831385749 FRZFURKNNBIWNV-HTAPYJJXSA-N 431.489 0.589 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831485156 QBEDDTCQYYRTBC-TZIWHRDSSA-N 447.561 0.842 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1832461344 SGIUONIBISEKIT-UGKGYDQZSA-N 434.558 0.966 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccc[nH]4)CCO3)C2)C1 1832873939 ZLZCCFKVEMBDBH-QFIPXVFZSA-N 430.505 0.557 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(C)=O)CC2)CC1 1833095843 HZNRICMNZNKUDU-HCZHMGAMSA-N 447.580 0.331 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1834456301 JQFJBKIKDWAAIL-XACCNFBGSA-N 435.550 0.993 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834623272 BIVQWYXYHHHMTD-UHFFFAOYSA-N 431.625 0.999 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835109942 KJBOADXLEQVXAC-CJNGLKHVSA-N 448.593 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836574380 UQMIJYYDOOYASW-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155943 UXUHNWCQRJIZLW-VGOFRKELSA-N 428.489 0.995 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837525871 QQHYPKUPNCFTEQ-XCKVFWMBSA-N 439.534 0.993 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)C1 1837987511 ZTAAMBIJBPELKV-ZHRRBRCNSA-N 432.521 0.816 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907814 OYOZUOLJWOATSV-QHCPKHFHSA-N 436.468 0.641 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c(C#N)c1 1839132559 JAMKMXARXZMVRG-NRFANRHFSA-N 441.444 0.263 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222631 UKWSRHPHIFXWOO-UWJYYQICSA-N 440.541 0.550 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1839590818 WUNRZFQBXQTZGE-NRFANRHFSA-N 445.859 0.979 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1839608532 JVLBHRBPZBOPGF-QFIPXVFZSA-N 426.473 0.945 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(Br)ccc4n3)C2)C1 1839807670 DUQOFSWHNUNSRC-IBGZPJMESA-N 447.289 0.800 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1)C(F)(F)F 1839892075 RCLCVLUSYKRXFT-SFHVURJKSA-N 429.395 0.574 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840169211 RIESVSUIMCNYRH-DNVFCKCGSA-N 431.533 0.647 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1840405574 WMDWYGFGTRTMSZ-YYLQOBMESA-N 443.504 0.921 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549650 DBGUDLAYODHLFS-FQEVSTJZSA-N 430.567 0.870 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3NC(C)=O)CCO2)C1 1840723125 OBIMCWUAEXSMTJ-SBUREZEXSA-N 443.500 0.753 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccc(O)cc1 1846416568 ATXJVCNRZBZHOE-QGZVFWFLSA-N 441.484 0.636 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)O2)C3)N(C(=O)OC(C)(C)C)C1 1846448726 URKISVZOIKABBP-GJZGRUSLSA-N 434.493 0.864 30 20 ICED C#CCOCCOCCOCCOCCNC(=O)CCCCC[C@@H]1NC(=O)N[C@@H]1C 2090611414 CQSNBVBVAYQBHF-MOPGFXCFSA-N 427.542 0.823 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccnn2Cc2cccs2)c1=O 29494962 XOXGOBSIBJEGHY-UHFFFAOYSA-N 428.474 0.489 30 20 ICED C[C@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 409461865 ANMVNXUSYOGLEY-GFCCVEGCSA-N 433.450 0.371 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441949621 SAXJXMJUQKAAEX-SFHVURJKSA-N 441.553 0.992 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 442291732 LTGIGQBYWRHKAO-UHFFFAOYSA-N 430.505 0.873 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cnc2n(C)c1=O 442452995 ZBPXYWACGSIXKL-UHFFFAOYSA-N 432.440 0.634 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 444413022 SANCKYHQPJPGJG-UHFFFAOYSA-N 433.490 0.693 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 471156126 JIGMVBCZEYFKDP-HUUCEWRRSA-N 438.506 0.422 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)n2)c1=O 479396798 IXEDIIZQNMEWFO-UHFFFAOYSA-N 439.541 0.167 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)cc2)c1=O 480155398 MLIYHANCLUJBDX-UHFFFAOYSA-N 434.315 0.571 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 480924341 CGVQKSOVOBWJGR-UHFFFAOYSA-N 434.477 0.686 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)o1 480926402 ISKBCMSNTFODMD-UHFFFAOYSA-N 431.514 0.667 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 488632547 YHICOAVBSDDEQF-OAHLLOKOSA-N 426.470 0.535 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 498667664 OWMAKONTRCXLHJ-NSHDSACASA-N 428.367 0.489 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498991536 PEWQDPVSUZLQMA-WQVCFCJDSA-N 438.575 0.211 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 503965370 VLSRVJPKAQDVAN-UHFFFAOYSA-N 434.543 0.843 30 20 ICED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)nn1CCC#N 505008071 WXYBTTDDAXYEFB-UHFFFAOYSA-N 438.492 0.294 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1 505157722 CWCXFAONUDHSBM-QGZVFWFLSA-N 434.456 0.905 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 506263309 JKFKNUDABXIGAJ-UHFFFAOYSA-N 434.562 0.777 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)nc1 511380644 HPVCCDBQDAYPBU-UHFFFAOYSA-N 439.480 0.184 30 20 ICED C[C@H]1CS(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 527047143 YHZJGRHYDGOQDM-AWEZNQCLSA-N 425.532 0.604 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)CC1 531402913 PYRQFOIMYQPKQZ-UHFFFAOYSA-N 435.550 0.383 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 541902163 VGWVSJWPXGMOIB-GFCCVEGCSA-N 434.453 0.362 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 563913379 JDIQTILKQRUMQE-PKOBYXMFSA-N 425.599 0.473 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 572172752 NQZYYNRDFCMHJF-UHFFFAOYSA-N 439.563 0.972 30 20 ICED CCC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1CCOC 587641031 OFRNHCBUTFWODN-FQEVSTJZSA-N 442.564 0.998 30 20 ICED N#Cc1ccc(C2=CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CC2)cc1 588009636 GFJBZWYCEYOPFR-WGQQHEPDSA-N 434.456 0.603 30 20 ICED COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 600842812 HCTPWDUIFLHWMV-INIZCTEOSA-N 437.474 0.180 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 609219900 JTEOWVGOQGDUEH-UHFFFAOYSA-N 425.510 0.522 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)F)cc2)c1=O 727163463 CLNJSCYSNISHNF-UHFFFAOYSA-N 440.453 0.087 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 730684096 PRLDVWHAIWNGLC-MOHJPFBDSA-N 446.533 0.542 30 20 ICED O=C(NCCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 732466051 JZBLMWUUIQNWCW-ZCXUNETKSA-N 425.445 0.888 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCS(=O)(=O)CC1 732910258 NIVNSVHUCOPNEC-INIZCTEOSA-N 430.486 0.369 30 20 ICED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)N1CCS(=O)(=O)CC1 732910865 UJBKHNDLYRBDBZ-HNNXBMFYSA-N 446.510 0.904 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739157456 WRPKSBDAEZAODK-INIZCTEOSA-N 449.467 0.631 30 20 ICED C[C@H](CC(=O)N1CCN(CCN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742495617 GHKMEQDVVXOZOH-QGZVFWFLSA-N 433.578 0.744 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094193 VQXUJHLGMDOZNW-IUODEOHRSA-N 431.898 0.531 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCCO3)c2=O)c1 763464705 CCDBKWJTHZSEAP-QGZVFWFLSA-N 426.542 0.943 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 786492081 NXZYWCJCQOHUHV-UKRRQHHQSA-N 429.520 0.440 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 788848637 KFORCWCVNZJPLS-INIZCTEOSA-N 425.532 0.238 30 20 ICED C#CCn1cc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cn1 791264416 LUSSOTFUUIMWJK-UHFFFAOYSA-N 432.502 0.405 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(=O)NC(N)=O)cc2C)c1 798069200 NCQBNGFUWSPICT-UHFFFAOYSA-N 444.469 0.733 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 804047731 FKDQMPVYHJICOA-CYBMUJFWSA-N 433.513 0.278 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4C)CC2)c1C#N 804575362 UOFBPOPCEMGVKQ-AWEZNQCLSA-N 449.515 0.645 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 813981057 RPHPGRLOFLUVOJ-UHFFFAOYSA-N 438.462 0.996 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CCOC 838290379 SECNNNUDQUFRCQ-UHFFFAOYSA-N 427.935 0.537 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CCOC)CC1 916200207 YTNIMOLSDSIWCN-UHFFFAOYSA-N 444.532 0.362 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013751 PEWAUZCBXGVKLQ-GOSISDBHSA-N 443.460 0.591 30 20 ICED COCCn1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 918447202 DRNKUHDXJXBDQV-HAVVHWLPSA-N 448.505 0.920 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O 1116885833 BLTVFIFUGNCUAW-QGZVFWFLSA-N 437.521 0.383 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 1320399467 RZOPCKADUIOTKC-SNVBAGLBSA-N 438.431 0.927 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1321333708 AUPXBMTXMDXGDF-XLIONFOSSA-N 431.518 0.087 30 20 ICED CCN1CCN([C@@H](C)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818309 MPMNRBRCEOXODB-QFBILLFUSA-N 426.521 0.905 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1509957962 XCNUYPVQVPGMBT-QZWWFDLISA-N 440.570 0.900 30 20 ICED COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)Cn3cc(C#N)c(O)nc3=O)C2=O)c1 1566240562 LMWDOKCHDVDFNV-INIZCTEOSA-N 427.417 0.102 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 1593886102 QVSIWABVXVYOLG-QWHCGFSZSA-N 432.934 0.030 30 20 ICED Cn1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1696862999 CJBIMTNSXHBDLS-UHFFFAOYSA-N 426.506 0.680 30 20 ICED C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1708263216 QXIVPDMYCZFYDR-MRXNPFEDSA-N 430.534 0.772 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1711418949 UBOSKGIMTJGUHZ-UHFFFAOYSA-N 433.494 0.254 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1729409475 KTZPCZSJXSYBSY-MRXNPFEDSA-N 426.506 0.865 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1750076670 QNXGMMCIDXESHZ-CVEARBPZSA-N 439.586 0.691 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1750383445 VOABAIJFBSFVKP-RBUKOAKNSA-N 430.465 0.808 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1768546273 ZTQLQKHECJDKIY-INIZCTEOSA-N 437.547 0.875 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777988947 QQYHCHZFWXDREM-OAQYLSRUSA-N 427.461 0.682 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1779019630 BSUCBQRBDCVHGX-FEAOACABSA-N 428.537 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122580 FOGRFIXEDKLDFU-IERDGZPVSA-N 434.493 0.116 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)CC2)CC1 1779139752 HVQBNWVASBZNPM-VCOZGABYSA-N 443.548 0.308 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1780169940 XKTBGAPDKNLJPU-NRFANRHFSA-N 425.445 0.945 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935405 OORSFUXWZMKROJ-FQEVSTJZSA-N 431.518 0.271 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]32)C1 1783461275 IDDWUGUQPSWJAZ-DKIMLUQUSA-N 437.537 0.818 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251259 MOXXDSNEMLQOOM-QCPWZWHMSA-N 441.575 0.538 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790142832 MJYMAECINFUVLY-JPLJXNOCSA-N 444.488 0.410 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C3)C1 1792436494 PBEXNKSJTNVPBH-XMTFNYHQSA-N 437.537 0.818 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)C1 1792437121 JHXOOKXFDATVAG-FRQROOTJSA-N 428.489 0.549 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccc(C)cc1)C2 1792490463 ZADBZHHEQRMYBU-GJHUICOYSA-N 425.485 0.626 30 20 ICED 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)N(C2CCCC2)C1 1793777467 TWQBYHLAIILBFN-VAVQPMOSSA-N 447.576 0.940 30 20 ICED Cn1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797811004 FGIVHNAAIJJMQE-AXEJTIDPSA-N 433.509 0.471 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1C 1797815421 OOZCQIUVHHPFSC-BNAVPPKKSA-N 435.481 0.161 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1798395617 ZREDSFXYFWLIHQ-ZWUHOBOKSA-N 436.534 0.663 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2nnc(C)o2)C3)c(C#N)c1 1799237278 FQKUPLDLKOOUPF-FAQVEIGNSA-N 439.472 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CN)c1ccccc1)C2 1799304834 AFXKNQOAPKEBMW-RCLSDMTESA-N 429.517 0.828 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(OCC)OCC)C2 1799307033 WUFPPYCFENMXGH-CWPLJXCYSA-N 426.510 0.875 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1799391596 OJHXKVGAIIQRAR-LACSLYJWSA-N 439.538 0.179 30 20 ICED 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@@H](C)S 1800980528 LNQOVDLBTDUYLL-FGZZBPHYSA-N 445.582 0.823 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1800987246 CXRQIPPNUOSISI-AUGJRDSBSA-N 443.566 0.578 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991918 JECNKDDIVCKELT-FCQWJQKHSA-N 442.516 0.831 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807116210 QKPTZSTVFWJTKI-UXEFLBJUSA-N 440.552 0.399 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1808439961 DMUFSLMHXYLKKP-MBOZVWFJSA-N 428.489 0.875 30 20 ICED C[C@H](C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)n1cnnn1 1813470811 ZVWIHFHADQAOPZ-KBAYOESNSA-N 439.524 0.617 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813573785 IUJXMZQDSUHDHM-PKOBYXMFSA-N 449.577 0.804 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1829630117 SCAPRJRASBZPGD-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1829773856 XMZZFJYPOODSJL-FQPQFMITSA-N 445.520 0.067 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NNc3ccccc3)CCO2)C1 1829802978 BLJVMJOVFFAFRX-YCRNBWNJSA-N 444.532 0.486 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829927543 FBVZKOYVKJPNPP-OFNKIYASSA-N 443.500 0.963 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1831399685 YZPDPLACGFSMMU-KSFYIVLOSA-N 444.463 0.582 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1=O 1831888228 SDVNETJFPWOUGH-HPARJBSBSA-N 442.472 0.167 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833037725 KHWNLQDBHVJBED-QFIPXVFZSA-N 446.552 0.238 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1835098240 COSUFFMSIHSCTI-QFIPXVFZSA-N 438.440 0.010 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cc1 1836419105 RSZCAXWFKMTXEC-JOCHJYFZSA-N 438.440 0.748 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836673472 CJZFRVUZTMTIHO-QHCPKHFHSA-N 436.597 0.683 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1837392591 FJBOHQPLOBSLEN-VGOFRKELSA-N 433.505 0.028 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837401043 STNWNJQOEAIJDO-KSFYIVLOSA-N 447.488 0.453 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1837405276 LLMHHELYSWLYCX-FGSXEWAUSA-N 439.553 0.321 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837641196 GOSKAGPGCYHWCQ-WMZHIEFXSA-N 437.500 0.422 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn(C)cn4)C3)C2)c1 1838580541 ITAPQJRACGQRCN-JOCHJYFZSA-N 439.472 0.684 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618732 VIEFWRVUFSOGAV-IBGZPJMESA-N 432.868 0.985 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](N)c4cccnc4)C3)C2)c1 1838735907 BBLFPNLENANPCM-GCJKJVERSA-N 438.488 0.441 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838737414 SPSZOQCPSJNALB-NRFANRHFSA-N 435.444 0.313 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839227178 LTQMDFMPGFJJFA-WMZHIEFXSA-N 449.548 0.942 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c1 1839420194 USNSEQZGUSKOQT-OAQYLSRUSA-N 427.436 0.815 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5C[C@@H]5F)C4)C3)c2c1 1839487516 LRTPKZCETDIKKN-IVZHQMGZSA-N 427.436 0.863 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5c4OCCC5)CCO3)C2)CCC1 1839519515 RUXCFSQBFDPYTE-NRFANRHFSA-N 429.477 0.429 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1839807792 MAFHURSLMFKDFA-SFHVURJKSA-N 448.277 0.195 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840161095 DJRZCJNFOBJDTQ-MPBGBICISA-N 433.486 0.210 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840170932 DYSSNNWXVJNWCU-LJQANCHMSA-N 439.559 0.107 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)C1 1840725545 YECVCFKEFOFZRJ-UZUQRXQVSA-N 443.500 0.753 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840844348 QEVHKALNBNYZSF-QFWMQHCXSA-N 437.496 0.766 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840885362 CDCOGORMJPWJQG-NRFANRHFSA-N 432.477 0.546 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099450 HISDUTYZDUPELY-IBGZPJMESA-N 427.457 0.799 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](COC)NC(C)=O)C2)c(O)n1 1844384208 YXRZOSJQHQYGRB-SFHVURJKSA-N 430.505 0.874 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1OC 19467968 WNGOYOFLMGGUIX-SFHVURJKSA-N 427.479 0.580 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1C(F)(F)F 409570452 NXXLLOGMDPFXFI-UHFFFAOYSA-N 430.408 0.689 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432718375 KCAHZTTYXSMTNS-UHFFFAOYSA-N 434.880 0.860 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 434423344 VIYVLNFUFRMUSS-UHFFFAOYSA-N 437.460 0.903 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)[C@H](C)C#N 436726034 SAPFXVZODGDCIN-CRAIPNDOSA-N 436.534 0.832 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 437515121 LHGSMKRKCVLFRG-DNUAJFIVSA-N 439.490 0.816 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1Cl 441616249 STRRDYKKZYJXNP-QGZVFWFLSA-N 441.875 0.869 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cn1 441729721 UXIMOXIJYOWOQR-ZDUSSCGKSA-N 426.355 0.212 30 20 ICED C=CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)NCCN3CCOCC3)no2)c1 445285985 XBYBWNXHSOZUQE-UHFFFAOYSA-N 435.506 0.192 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447447397 CXNRHBCRQUUMAZ-HUUCEWRRSA-N 445.451 0.694 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H]1CCOc2ccccc21 461367372 RPTJUBCAYMABQC-GOSISDBHSA-N 447.520 0.820 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc1 461779862 RQRWDGCTBOSBRS-INIZCTEOSA-N 443.547 0.467 30 20 ICED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469152813 WJXLSGXLLYSKSV-QVKFZJNVSA-N 430.461 0.972 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c(C#N)c2N)cc1 471466354 FVUVGNMAMHCRPQ-QAPCUYQASA-N 425.493 0.899 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)cc1 472921488 GMFFXOPLZUHDOK-FOIQADDNSA-N 437.518 0.838 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]3(C#N)CCOC3)CC2)o1 478649695 FOAUIIQONIQVSU-GOSISDBHSA-N 425.463 0.656 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)C2=O)cc1 488672743 HOAHEGJMRLVGJE-IBGZPJMESA-N 446.467 0.944 30 20 ICED CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 505036436 QTRZOMFWZJYRGR-UHFFFAOYSA-N 425.532 0.749 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)CN1CCOCC1 514307154 MBZXNJUASVWWKB-RTWAWAEBSA-N 433.528 0.159 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(OC)cc2)C1=O 518302339 OHTZRYBCWCMAPP-CQSZACIVSA-N 432.458 0.512 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCc1ccccn1 523578776 DGOKGBQENRIWKF-UHFFFAOYSA-N 448.504 0.583 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)cn1C 532212498 LGQLSLGOXZGMLR-UHFFFAOYSA-N 427.483 0.435 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 540529728 IWMKWQUEXMLWLP-QAPCUYQASA-N 428.532 0.617 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 551924157 ZASLVSVAICVHMZ-UHFFFAOYSA-N 449.536 0.611 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)nc1 554715186 LTFZYYFPVPRFGU-MOPGFXCFSA-N 426.521 0.096 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)c2)CC1 556388084 RTXOULAGWPDQKS-UHFFFAOYSA-N 447.543 0.988 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1-c1ccc(F)cc1F 558224150 RQRXETVFNZOVST-UHFFFAOYSA-N 446.458 1.472 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 561431323 CWHFBDQRPMTQNU-UHFFFAOYSA-N 434.504 0.521 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 565909464 RRNYPFFBVOICHN-QGZVFWFLSA-N 430.486 0.860 30 20 ICED CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCSC1 567067131 QKUCTELFICWYEZ-UTKZUKDTSA-N 429.546 0.329 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)CC1 588236910 YAPLZBLAYHMENN-GOSISDBHSA-N 442.539 0.631 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434365 IBOJSKDPAMMRPF-UHFFFAOYSA-N 428.426 0.024 30 20 ICED N#Cc1cccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 610853349 DTJOMJIDKRVKRC-MRXNPFEDSA-N 444.469 0.881 30 20 ICED N#C[C@]1(F)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 615524586 ZRFVWNIQUVFDEM-XJKSGUPXSA-N 430.483 0.621 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1(C#N)CC1 619545963 GPCJEQBWUGXRMF-SFHVURJKSA-N 448.545 0.882 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O 729671153 JHTXCQHKDPNCPR-UHFFFAOYSA-N 436.559 0.196 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 729764148 YZQIZBBQJUAKCX-UHFFFAOYSA-N 440.474 0.037 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NN=c3nc4[nH][nH]cc-4c(O)n3)CC2)cc1 731155111 SUPBJQCIHQSKTG-UHFFFAOYSA-N 444.477 0.643 30 20 ICED C#CCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 733160878 CPRWTRGHNYAVGX-KRWDZBQOSA-N 425.938 0.651 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 734292753 URAVGMLTFLAVDZ-INIZCTEOSA-N 429.433 0.931 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(COC)cc2)c1=O 742144048 RDTCKPKMHRSLJA-UHFFFAOYSA-N 427.526 0.828 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 747823070 INJRXZXTPUZBPZ-UHFFFAOYSA-N 440.953 0.990 30 20 ICED N#CCN1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 748329288 HBONITYVGBUNSB-KRWDZBQOSA-N 446.529 0.975 30 20 ICED Cn1c(N)c(C=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(C)c1=O 749816192 YCTWMENGWHLYPX-UHFFFAOYSA-N 428.474 0.913 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2OC)CC1 752032422 RYAOKJBJMAGQHX-UHFFFAOYSA-N 445.516 0.959 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(Cl)nc1 753788917 QYFGIXOALJVPII-UHFFFAOYSA-N 440.916 0.969 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)CC1 755228011 NSPHNCWYGSAXSF-UHFFFAOYSA-N 436.472 0.206 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1CCOC 755626742 CIFIWVFOINJKST-OAHLLOKOSA-N 446.554 0.669 30 20 ICED CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 757061544 VXLUOGHLQZYCQA-AWEZNQCLSA-N 430.490 0.881 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2OC)c1=O 758077374 PBFUTXSJPNHWOI-UHFFFAOYSA-N 441.509 0.216 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn(CCOC)c2)c1=O 758078594 PZNIGZDPLXPNTD-UHFFFAOYSA-N 436.468 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 758079769 QVMZXUIGDHYZER-UHFFFAOYSA-N 443.912 0.995 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760808703 PCGWPEBKXSXUEW-CQSZACIVSA-N 445.505 0.297 30 20 ICED CNC(=O)CNC(=S)NN=Cc1ccc(OCCn2cc(C(=O)O)nn2)c(Cl)c1 763175808 LRXFKVIVKGLSHX-UHFFFAOYSA-N 439.885 0.253 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 770102465 QWBXFUOPTOGUIZ-INIZCTEOSA-N 431.449 0.738 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H]1CCCO1 775790271 HSAZIQNQVQOMJK-PMACEKPBSA-N 433.530 0.493 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCO1 775798207 IUOGLLGTWXXADF-ROUUACIJSA-N 436.490 0.198 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)[C@@H]1CCS(=O)(=O)C1 783479537 CXAMUFMUSMJVBU-GOSISDBHSA-N 443.525 0.963 30 20 ICED N#Cc1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cccc1S(N)(=O)=O 784556949 LHTXWSBPDNAHMO-UHFFFAOYSA-N 430.515 0.597 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 787756567 BBGCOUABQJBDRT-UHFFFAOYSA-N 441.536 0.074 30 20 ICED CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787778704 RCMLFCWASFMZLD-UHFFFAOYSA-N 449.515 0.466 30 20 ICED CCOCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1CCOC 802424091 ZNQMINZZQWSTET-UHFFFAOYSA-N 434.522 0.844 30 20 ICED CN(C)S(=O)(=O)c1cccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821727864 LZWVSKYASGBZMF-UHFFFAOYSA-N 437.499 0.719 30 20 ICED N#C[C@H](C(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012157 VVNIRZHBZVZVGB-WMLDXEAASA-N 428.449 0.743 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 917081295 ZUMTYYOHOKDWAZ-UHFFFAOYSA-N 435.550 0.128 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 920245639 RVIBLMXYJHCBDD-LTGZKZEYSA-N 433.494 0.431 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 920717925 NZONWCGUKDCDQQ-QGZVFWFLSA-N 426.451 0.861 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)CC1 1162120572 PYRZCUCSJHTRBG-UHFFFAOYSA-N 429.344 0.330 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1286969667 QSLLYHNCWUQASN-QZWWFDLISA-N 440.570 0.758 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1=O 1298846143 IQWZHHJIYAMHIM-QZTJIDSGSA-N 431.512 0.819 30 20 ICED CC(=O)N1CCC(NC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 1320498047 PHLFPJGHKBGOCW-LJQANCHMSA-N 437.504 0.838 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCN1S(C)(=O)=O 1505282506 ISFJJUOZTPWPRO-HNNXBMFYSA-N 441.521 0.579 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515315031 NGTYNNGCINKRNF-QGZVFWFLSA-N 441.492 0.158 30 20 ICED COC(=O)[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCN(Cc2ccccc2)C1 1628010476 DNEHUSIIDPVJAY-JOCHJYFZSA-N 439.472 0.535 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1698489684 ZHVMMHIHGWDLHA-HNNXBMFYSA-N 431.403 0.839 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1711049296 AYCZMKYMOLZQSF-OAQYLSRUSA-N 426.477 0.263 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1711351811 YQDVNUWEFIJQOQ-UHFFFAOYSA-N 445.549 0.671 30 20 ICED CCN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1746311557 ZTNDJVWKXYBHTM-GJZGRUSLSA-N 446.599 0.448 30 20 ICED CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1747447909 MDPHTSXESKOMTH-QGZVFWFLSA-N 434.522 0.834 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CCO1 1770749179 VASCJHFZBLQZIN-NWDGAFQWSA-N 439.448 0.685 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062764 JMPWYYOJWCREGR-HSZRJFAPSA-N 444.532 0.672 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473615 IRUQUOVZCZJLHL-AQOAWAETSA-N 427.505 0.522 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c(C#N)c1 1781173759 CMBMMHKZNJRYAG-JOCHJYFZSA-N 439.472 0.692 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c2c1 1781207199 CWTAQRQORHADDS-VGOFRKELSA-N 435.440 0.650 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)COc5cccnn5)CCO4)C3)c2c1 1782198075 KMKXHEMXGKRFLP-QFIPXVFZSA-N 447.455 0.747 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318372 GTCAEGJMKKHJMI-CRESJJQNSA-N 431.493 0.802 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1783131919 JYRMJFVBYXLYJA-WIYYLYMNSA-N 439.476 0.138 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCC)NC(C)=O)C1 1783185002 YVJKFZXEKRRTPZ-BNZLUUEQSA-N 448.564 0.664 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452474 MGCIXENYERDTLM-QRQCRPRQSA-N 447.488 0.161 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783931244 XPLPYBASVNINFA-YADHBBJMSA-N 447.463 0.686 30 20 ICED CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)CC1 1784316477 SMOIIHSFSFCKJL-UFYCRDLUSA-N 433.597 0.980 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1784599916 FVMBJTRLSJCBMR-CJCBUOBESA-N 430.480 0.731 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1785378723 MZMHYRASUFRKMF-QFIPXVFZSA-N 426.473 0.389 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CNC3=O)CCC2)cc1 1785835892 BKWAPBPJYGMNOV-HJWRWDBZSA-N 439.472 0.531 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788601723 UFVICVGWNFCRHO-UBZBMESMSA-N 439.520 0.794 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C(C)(C)C)nn3)[C@H]2C1 1789354313 KVCVRIOFOSRSGX-BQFCYCMXSA-N 445.568 0.908 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)c(C#N)c1 1789843563 XOTLUTGXOMMUQY-VDGAXYAQSA-N 438.488 0.381 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1789890562 WSJIFHDJINMDCY-FHWLQOOXSA-N 449.548 0.878 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n(C)n2)c(O)n1 1794323283 XFTVHTBZOYOMOA-HBCWATKFSA-N 441.488 0.862 30 20 ICED 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)n1 1794587778 ISROPYNCSGAMSG-QKPAOTATSA-N 448.524 0.488 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1796321733 ZDHGSSPDFGDLDX-DLTLXFJOSA-N 433.896 0.862 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2n(n1)CCCC2 1797441410 VFTWFNUXYNWKDK-FJEYYMGFSA-N 445.520 0.952 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797449083 AFYNISYATAXWLB-NTNQKNOYSA-N 429.473 0.812 30 20 ICED CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=N/N3CCCCC3)C4)CC2)CC1 1799976591 NDGBALKGLHBQQU-IPOQYULWSA-N 430.597 0.876 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)c(O)n1 1801261461 ZULSGMJMRSURKC-CWPLJXCYSA-N 440.504 0.791 30 20 ICED CC(C)c1nc(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1812873454 BRFAOKGGXLHQHV-MGPUTAFESA-N 425.445 0.925 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819952434 SSADNUDNZZFLBP-FZBSOZHNSA-N 449.489 0.832 30 20 ICED COc1ccnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)c1OC 1821799882 TTXBXKNAEQZIQV-SNVBAGLBSA-N 430.442 0.869 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C)CC1)CC2 1822927375 GOVZHEDYSQCEGP-OAHLLOKOSA-N 449.577 0.812 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826024221 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C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833474360 VWRWAYHCHCKUNV-VGOFRKELSA-N 431.489 0.924 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1834246229 BXVOIIPFSIURGK-XCKVFWMBSA-N 435.481 0.019 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1834763405 GZPPOVILVQBXFI-IBGZPJMESA-N 432.389 0.307 30 20 ICED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834870080 RJSUKVBCPKERKC-DSLRRYSGSA-N 425.482 0.341 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C)cc1)CCO2 1835076622 SMAIMIBYBXJGDH-HMLKYZKVSA-N 441.528 0.852 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835672496 CZBGSZDTQFHPFA-FQEVSTJZSA-N 435.550 0.803 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1835674754 LTQWDQOLHPZMSB-QFIPXVFZSA-N 429.521 0.362 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835716157 ZICXYRKEWHLBTN-JXFKEZNVSA-N 436.597 0.998 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836814913 OBGOAXXVMOZNRQ-VFNWGFHPSA-N 444.492 0.829 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1837288279 FQKZUXOQQKGUOW-LJCCNALRSA-N 427.492 0.994 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837382402 ZDQKRAPSVISYSL-AOMKIAJQSA-N 443.504 0.336 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1837391709 UHQQXGDTGFTSEC-DJJJIMSYSA-N 439.538 0.223 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1837395150 QSXAMURQMDCUAO-UTKZUKDTSA-N 434.493 0.255 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1837588272 IIORIFZPNJURCY-XWRADEMYSA-N 432.525 0.189 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837627203 VVVUXVJSMXHQCI-XMMPIXPASA-N 448.479 0.528 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837843464 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VRUBSZFZMNLVCK-HSZRJFAPSA-N 432.517 0.836 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840609253 YOBHSJMDHGCODT-QTDGGUCWSA-N 425.485 0.715 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938595 BYPXSFMWNJWBAF-QFIPXVFZSA-N 435.569 0.211 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)N1CCN(C)CC1 1845101158 YNZPORYSVWYFRT-SFHVURJKSA-N 425.533 0.776 30 20 ICED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245311 SESXSDKXTMGZDV-LJQANCHMSA-N 442.553 0.867 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 28890047 UYDHZODAXWTTGY-UHFFFAOYSA-N 441.513 0.992 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C[C@@H](C)O1 36748165 AEOZXDQPLDHTHF-HUUCEWRRSA-N 428.536 0.219 30 20 ICED C=CCc1cc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC 65064486 CIBYPJKJAODPEY-UHFFFAOYSA-N 427.461 0.496 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 108938233 FHLKMIPGLVZTOK-FOIQADDNSA-N 435.502 0.664 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 111192747 XMCFUOLDPUQHFJ-UHFFFAOYSA-N 427.505 0.909 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 303677187 YCGQGSRKQGGZFU-IBGZPJMESA-N 429.540 0.620 30 20 ICED CCN(C[C@H](CC(C)C)NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[C@@H](C)n1cnc(C#N)n1 409861563 UZLUSSBFZJGANB-XHSDSOJGSA-N 440.512 0.815 30 20 ICED Cc1cc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n(C)n1 441184925 XTDIRJDTGMLHLK-QGZVFWFLSA-N 428.518 0.712 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446533952 ZNZVCPBIBOZUMU-UHFFFAOYSA-N 442.925 0.756 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnnn3CC3CC3)CC2)cc1 472861724 XFWCKURGZNOMFY-UHFFFAOYSA-N 430.494 0.171 30 20 ICED COc1ccc(CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 481157744 QFDKQXIFVLLNAC-AWEZNQCLSA-N 430.486 0.666 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486479810 DQEGOSXGVXFCRE-LJQANCHMSA-N 440.504 0.039 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 498183006 OGNPLJVSIQBUQJ-UHFFFAOYSA-N 448.545 0.933 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 505584078 DGNBTGNWWXNQRT-UHFFFAOYSA-N 425.461 0.927 30 20 ICED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508349237 MVXLPCAZRHRQLT-UHFFFAOYSA-N 427.490 0.402 30 20 ICED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508867495 QDOLYTHITBBXCK-OAHLLOKOSA-N 426.543 0.233 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 510237777 PLGKRTVQAVPIKQ-OAHLLOKOSA-N 429.568 0.191 30 20 ICED Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)no1 512428787 ZDYOBGRCWPTTBJ-GOSISDBHSA-N 431.541 0.232 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512734832 URXBKZWCOYWKMV-MRXNPFEDSA-N 429.546 0.725 30 20 ICED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cnn(C)c1 514002820 BPUMLDNDSGCFDD-UHFFFAOYSA-N 430.534 0.647 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1 520691351 JYAMDCWAHBEOQX-RDJZCZTQSA-N 434.518 0.821 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 530348687 RSHCAPXZYDMIFO-INIZCTEOSA-N 447.517 0.358 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538100957 WLDDYNLYJWMAGY-OAHLLOKOSA-N 447.540 0.134 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O 540257587 YFAYGWARMKREIX-HZPDHXFCSA-N 436.509 0.080 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545489808 XNEUDLWRJQZSJR-UHFFFAOYSA-N 427.486 0.953 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 552667335 YTOIRMDLRHFXSG-AEFFLSMTSA-N 431.445 0.820 30 20 ICED COc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)NCc1ccccn1 552674281 XDOLYLOEGSZDDV-UHFFFAOYSA-N 441.473 0.462 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)nnc12 556976619 FGTSPCBIPAFATR-HOTGVXAUSA-N 428.518 0.456 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nc1 557472436 JDOASLJZKLLXJN-AWEZNQCLSA-N 431.430 0.820 30 20 ICED C=CCSCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 560670898 YFLKNFTVNWDAHO-UHFFFAOYSA-N 440.591 0.274 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 564380024 MXKDUWNVYZUUTL-CYBMUJFWSA-N 431.478 0.008 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C#N)o1 581391354 BUDLFEBMOAJQAJ-UHFFFAOYSA-N 427.460 0.982 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897240 FIVUGOREIJKGAG-UHFFFAOYSA-N 427.482 0.861 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 609940649 QHRGPVYXDADWNP-UHFFFAOYSA-N 432.437 0.027 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610665176 CQVCEKAXHPVUPR-KBXCAEBGSA-N 434.497 0.635 30 20 ICED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671357377 HZWLJTBVMGRJNN-UHFFFAOYSA-N 448.998 0.610 30 20 ICED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 674004082 SVBFTPMSGGMBEI-UHFFFAOYSA-N 438.465 0.853 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1=O 726043408 TVAGXIGQOPBDAQ-LBPRGKRZSA-N 435.408 0.701 30 20 ICED CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402332 FLZTWSFKQMGVPF-SYLQMPFCSA-N 428.536 0.307 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 728570610 HNHCXIORBRMFID-UHFFFAOYSA-N 431.581 0.041 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 728686688 VXJCYDIETHFNJO-OAQYLSRUSA-N 445.995 0.960 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 731214135 CLFANCNKWIFBKP-LAUBAEHRSA-N 448.545 0.636 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1[C@@H](C)c1ccccc1 743726341 NFROTBFAOUKBNV-HNNXBMFYSA-N 437.525 0.611 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)Cc3ccon3)CC2)cc1 747185195 NRGVYXCLVKNLBH-UHFFFAOYSA-N 438.487 0.593 30 20 ICED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 748980621 ARUBMARBAGKWCP-QJIFYWSCSA-N 435.506 0.175 30 20 ICED C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749670083 LENMFMMFHPLICB-GWKQSCENSA-N 433.494 0.234 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)c[nH]1 753356765 GWETUALZDBSIRI-UHFFFAOYSA-N 446.554 0.559 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(NC(C)=O)c3)c2=O)c[nH]1 753358870 NQGANPYKRKLOCB-UHFFFAOYSA-N 433.449 0.999 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(=O)N(C)C 753789744 ZSENHZZKNUXATN-UHFFFAOYSA-N 448.907 0.596 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756232411 TWFAJXSWIQJDOK-RPLLJCPNSA-N 425.416 0.700 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 761760186 SRKKMTCNXJWUMP-SFHVURJKSA-N 425.489 0.913 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C/c2ccc[nH]2)CC1 782333301 UAHNIQQJTZPILS-BQYQJAHWSA-N 428.470 0.976 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)nc12 782940573 IJBRWPDMIHBTGA-DOTOQJQBSA-N 439.403 0.693 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783480632 KOOLGELHCIYDGV-LJQANCHMSA-N 449.598 0.865 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 787560615 VGFSJFDHXMBSGY-HZPDHXFCSA-N 435.502 0.715 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C(C)C)c1=O 794582610 QHGNACQARZMGLF-OAHLLOKOSA-N 430.530 0.832 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2OC)CC1 795842919 JZNJHCPMQXKZPM-UHFFFAOYSA-N 437.518 0.318 30 20 ICED CCOC(=O)CON=C(C(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1cc[nH]n1 801336495 MHHIMCWUYATAEQ-OAHLLOKOSA-N 441.444 0.938 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)c(C)c3)n(CC(N)=O)c2=O)cn1 808132813 QPEZMLYSFJSQPS-UHFFFAOYSA-N 433.493 0.695 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)c2cncc(C#N)c2)s1 813981820 YKBQFQSJHHDKDV-AWEZNQCLSA-N 440.528 0.981 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCC2)c1=O 814254060 PFDOXAGWDLVEDL-UHFFFAOYSA-N 448.346 0.912 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 913047220 UVALLSHPNAVERF-HIFRSBDPSA-N 427.548 0.835 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1117679225 ULVKRAISXOJSAF-OAHLLOKOSA-N 444.517 0.763 30 20 ICED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 1136704026 ITPLOFOSPAYTEI-BSDSXHPESA-N 436.306 0.571 30 20 ICED C[C@H](CCN1CCN(C)CC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255096106 QFFFLJJIRUTVGS-APWZRJJASA-N 426.521 0.905 30 20 ICED CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1515945208 QSVOUOXFSKGPPT-ZWKOTPCHSA-N 437.614 0.946 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1521115111 QGOWENMVJLWOEI-HOTGVXAUSA-N 441.579 0.887 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)CCO1 1555994418 HYZKRIGGRYOYMF-SFHVURJKSA-N 426.477 0.487 30 20 ICED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1565661789 MXFQNDOKLLYAJD-HUUCEWRRSA-N 427.324 0.850 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)on1 1612646985 OKGVFBAZQNBEAX-INIZCTEOSA-N 435.510 0.696 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CCN2C1=O 1618462440 LWMLPJNVENGEDW-OAHLLOKOSA-N 444.446 0.754 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1706866878 MAKXRJUQOSNCIZ-PMUMKWKESA-N 426.543 0.558 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723666290 KQUXQYVHJMEZGX-KRWDZBQOSA-N 446.581 0.788 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1769259013 KPIPISUIJYZHKJ-KRWDZBQOSA-N 441.492 0.158 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779103547 WPBOICNUONEZED-GAMXZPBPSA-N 433.509 0.955 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105121 ATVGGPHDMKKRSD-KXLWREGQSA-N 441.481 0.907 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1)c1ccccc1 1779183821 OGWJVSSQSAPFJH-NMMYMHLASA-N 440.544 0.606 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1779336567 RCOBTQPTUOVZHH-WYADAEROSA-N 439.553 0.225 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180790 PYXCFXXCKCNRAR-WRWLIDTKSA-N 433.465 0.078 30 20 ICED CC(C)(C)n1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1780354512 DGZSJMFYWQDPJL-UKKLRFBMSA-N 431.541 0.948 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)ccc1F 1780395780 YTMGJTBBHJKQNW-OAQYLSRUSA-N 428.420 0.864 30 20 ICED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C(C)(C)C#N)C4)CC2)CC1 1780647715 AUNBCZGAZKDLRY-XMSQKQJNSA-N 431.581 0.830 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1782179948 OUHNLVIVEVBAPP-IGMJJTELSA-N 445.582 0.704 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783542781 VVWWGRCDFHRJRF-CSMHICIZSA-N 437.496 0.765 30 20 ICED C[C@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)N1C(=O)OC(C)(C)C 1783555985 MINGYXDBQFENSF-PONJGIIJSA-N 449.504 0.692 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564834 NMLFLCOFPADKLU-QVKFZJNVSA-N 435.477 0.161 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1783900771 OENFOHLEXTXUIL-SGTLLEGYSA-N 430.523 0.991 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1784011665 RKPAWLLVRXZSAT-FVLCUVFVSA-N 441.528 0.442 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1784508629 ZAWZSDAUXDZEAQ-ICTHTSFCSA-N 429.521 0.268 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1785571145 ARMAMUCLADWSMK-BTYIYWSLSA-N 431.493 0.770 30 20 ICED 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COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CC1 1795598408 VKDFFWPQDGFKEF-YCEIQTCASA-N 448.564 0.837 30 20 ICED O=C(CCc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795806008 ODLRRELMDDIYOY-HATOLVCRSA-N 426.517 0.697 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1 1797815215 LTIQEETZWPXRPO-BNAVPPKKSA-N 433.465 0.217 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1799306810 NBDPOJPIXWQQEO-JLVBRIDZSA-N 439.509 0.610 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCCC2=O)C3)ccc1F 1799327052 OKCHJNXZRCOKAR-FEJSZKPUSA-N 442.491 0.842 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799335618 ZTEWMMKRLSNSQZ-DFGXFYAUSA-N 441.525 0.054 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1799394813 VGUDQBVSRMXTFV-ZXFNITATSA-N 435.481 0.103 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)ccc1F 1800132906 NJVXIIAWIKLKJL-MUJYYYPQSA-N 438.396 0.603 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1ccnn1 1800268801 BOIOTMUBFSSNHB-PJKMLTEKSA-N 426.452 0.682 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H](O)Cc1ccccc1 1800635022 VTEIPIAGFNRUIB-HDQXXOSBSA-N 445.516 0.709 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)cc1 1801019729 TVECZLUMUVVAGA-UPHUGPLXSA-N 431.514 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802484332 ZOFYMVHPIMELFX-KAOBVQAUSA-N 425.489 0.224 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@H]1c1cccnc1 1802895393 XBORLZLVSBUYEA-ZKMOHVOUSA-N 434.496 0.900 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1806949159 OSDIVXQKYAXVND-KAGYGMCKSA-N 428.533 0.848 30 20 ICED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)ccc1F 1808560679 LBGWLEPRAYBGNJ-IERDGZPVSA-N 437.479 0.824 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811791209 PGJFEURDLBHVNA-CMKODMSKSA-N 446.467 0.871 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813177898 UDMWQUHJIZRPPD-KUDFPVQQSA-N 441.488 0.813 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817357547 HUPJETULJUFEIO-RDJZCZTQSA-N 444.536 0.693 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cncn1)CC2 1819899711 YBALSHFURRLDLI-JANMCLQWSA-N 433.494 0.876 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1829632723 ZSTXCWWMKKVJEU-QHCPKHFHSA-N 437.500 0.844 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(F)c3)CCO2)C1 1830143552 ZEKAICDQOCGFQO-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831392985 SECNYPYKBSWRTJ-HTAPYJJXSA-N 426.473 0.443 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831439020 ULFLGOWJTMQTBH-AEFFLSMTSA-N 434.580 0.303 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831484719 BXRQUCVXQBCGEY-JXFKEZNVSA-N 429.583 0.560 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnco2)CCO3)c(C#N)c1 1831935682 PUXAMNTYPQXTBV-QFIPXVFZSA-N 440.456 0.868 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832590261 ATQUSLBPEBDSSY-QRWLVFNGSA-N 439.603 0.881 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1832928521 YZJOCGJNZUYBOX-JOCHJYFZSA-N 446.504 0.076 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833505540 FZTFUUKZOXQSAB-VFNWGFHPSA-N 434.493 0.128 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833657096 XWCXCNOYPXHGIB-YWZLYKJASA-N 431.518 0.656 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1834755434 BRIPVSPQJBKMLJ-NRFANRHFSA-N 441.444 0.920 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1)CCO2 1834990596 QIAOQLGPEKPNPD-UFTUAFODSA-N 427.501 0.544 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1835096058 NLIFBTWCZYLXDG-DEOSSOPVSA-N 435.480 0.969 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1835261222 JQVKQGZOXIFGBR-KKSFZXQISA-N 449.529 0.428 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1835643086 XIZVQPDVVVZBPL-AEFFLSMTSA-N 444.598 0.577 30 20 ICED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cs1 1835791081 LONUMBWQSFPKTF-NRFANRHFSA-N 426.498 0.847 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836378183 QQQSNNUEYMWZFK-SFHVURJKSA-N 426.395 0.979 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837140354 UINQDKUJCDJWNV-ODXCJYRJSA-N 433.486 0.210 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1837397466 QKFXPAAWXYBIGB-SKPFHBQLSA-N 445.560 0.758 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524995 RFEDOLSXTNUFJF-REWVYZQPSA-N 446.504 0.989 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531256 GFCIKNUMGQVDMM-KHLKKOTKSA-N 441.525 0.785 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564479 QTHLIWXKFGKHLM-ZJHLSYPMSA-N 429.477 0.809 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908348 UUFCBLDBVCFEMQ-VROYLXGSSA-N 426.473 0.668 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950484 YIDKAISIJQSJQY-DORXLWPQSA-N 427.457 0.748 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn4nccc24)CCO3)c1 1839539089 APQFTVZKTLTCHT-JOCHJYFZSA-N 434.456 0.918 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CC(c5ccccc5)=NN4)CCO3)C2)CC1 1839634556 QDONHTDNUOGWPW-AUSIDOKSSA-N 437.500 0.513 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839952897 IPRLXBUNJUWKPX-MBSDFSHPSA-N 430.501 0.732 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840182114 WRLFVJPJDBKBKI-ROUUACIJSA-N 434.436 0.270 30 20 ICED COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCC1 1840616913 QJIGOCILUPMVOQ-WWOVWOHCSA-N 436.553 0.874 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)c1 1840715454 BNNNRPUBXRIUAU-VGOFRKELSA-N 431.489 0.393 30 20 ICED CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1845123639 IDYPRQWTAMLQAB-HNNXBMFYSA-N 435.525 0.865 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 26023211 CFJDJXWKOITUFM-HUUCEWRRSA-N 434.493 0.382 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 28326777 NSEGEVOXLPQSMI-UHFFFAOYSA-N 446.573 0.759 30 20 ICED Cc1cc(=O)n2nc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)sc2n1 29189001 GUHJCZYEPKBVAU-UHFFFAOYSA-N 430.515 0.838 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 437472544 YXPGYFIJERWIDV-UHFFFAOYSA-N 438.536 0.870 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCn1c(=O)oc2ccccc21 460607572 NZSBHQNSHIGWJN-UHFFFAOYSA-N 431.412 1.110 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@H]3C#N)CC2)c1 464801508 GKHVYHKULPAQOP-GOSISDBHSA-N 448.545 0.668 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 471693036 NPTANOOMHWKPAW-FUHIMQAGSA-N 445.545 0.739 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 489015700 OUERPSGWEBXBNO-ZIAGYGMSSA-N 441.534 0.988 30 20 ICED N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 502462016 DFZLAIXXVCCGOH-SFHVURJKSA-N 437.521 0.665 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCS(N)(=O)=O 506898399 UQVTUERUFAFJRB-AWEZNQCLSA-N 428.492 0.429 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 507759486 ZDGICAIXTKNIPX-UHFFFAOYSA-N 431.493 0.844 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCS(=O)CC1 508842841 ZQNLDIFMJVSMOR-UHFFFAOYSA-N 428.562 0.991 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC 517634674 RIULGRVTMHCGGN-QGZVFWFLSA-N 445.497 0.993 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 541145607 KNJMEKQTVWFBQG-AWEZNQCLSA-N 442.407 0.102 30 20 ICED C=CCN(C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 544390108 FTKPBFZLUWOGRA-AWEZNQCLSA-N 426.491 0.644 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)ccc21 548058671 UDBRKNHDADCCOM-ZHRRBRCNSA-N 440.504 1.445 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](CC(C)C)N3CCOCC3)CC2)c1C#N 550749281 KCKIDAYMRRHPNF-SFHVURJKSA-N 445.568 0.112 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1=O 550904654 ANRHDMYYTNSGQK-SOLBZPMBSA-N 429.521 0.557 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 553669077 IHTPLPLZALKJOK-INIZCTEOSA-N 426.525 0.224 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 558602945 VRENNQVUKKENBC-UHFFFAOYSA-N 433.538 0.236 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 573593203 AFYAZYGTHAGLRA-OAQYLSRUSA-N 436.512 0.993 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccn2)c1=O 590990188 AUKRYANMHWKQPC-UHFFFAOYSA-N 440.525 0.820 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603793129 LJXLORFAMBAUFO-UHFFFAOYSA-N 438.509 0.416 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 604269786 BSDPUDZWTYWNSJ-UHFFFAOYSA-N 434.468 0.305 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 609484911 GWZXVYQLCKXWEK-HXUWFJFHSA-N 449.577 0.812 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1cnn(CC)c1 726180557 NPTITWDEVWYLOD-UHFFFAOYSA-N 428.543 0.910 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)C2=O)cc1 733830172 GBMJAWVONORMSC-HZPDHXFCSA-N 441.444 0.173 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H](C)O)cc1C 734562259 QFGJPUBDQCQBGV-MDASCCDHSA-N 445.497 0.973 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CC(C)C)c2=O)cn1 743728525 LIOGPDVPGXCLCY-HNNXBMFYSA-N 447.561 0.063 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c1 747932557 YLPFXXXAOVUQCI-DVSFIDLUSA-N 428.445 0.842 30 20 ICED CCNC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 749274758 MTEHJSVPCMJKOB-UHFFFAOYSA-N 444.469 0.768 30 20 ICED CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 749636370 ZXBLIDZMRSNWDQ-UHFFFAOYSA-N 430.490 0.808 30 20 ICED C#CCOCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 753241348 MCNCLFCKAIRBIL-HNNXBMFYSA-N 436.939 0.188 30 20 ICED N#Cc1c(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cccc1S(N)(=O)=O 755027149 PEDYNIFLULOTPH-ZDUSSCGKSA-N 426.454 0.707 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ncn1 757202302 XKAMFCPSIUOAGF-ULJHMMPZSA-N 430.490 0.853 30 20 ICED CC(C)(NC(=O)C(F)(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 757884660 AODPSJUWTRIWIR-UHFFFAOYSA-N 432.424 0.848 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CCS(C)(=O)=O)c2=O)cn1 767892670 VFPBYXWDRZXMAA-UHFFFAOYSA-N 448.570 0.340 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCNc3ncccc3C#N)C2)cc1 768281727 ZTRYEERYFRSBCI-UHFFFAOYSA-N 430.490 0.746 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCS(C)(=O)=O)c2=O)cn1 772316753 SXPLEOKZGMLPNI-ZDUSSCGKSA-N 434.543 0.370 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)[C@H]1CCCO1 773565376 WPFVFVWQTUMBPJ-DLBZAZTESA-N 437.518 0.901 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 774950202 MBMKTENSYWCKKO-MWDXBVQZSA-N 426.514 0.801 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)c(=O)n(C)c1=O 781127229 HIHFRPVJMCRRTB-UHFFFAOYSA-N 446.533 0.587 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2Cl)c1=O 782601758 SNXUYANKMWHWDE-UHFFFAOYSA-N 439.946 0.633 30 20 ICED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785187361 YOOFUGPVWRZPGZ-PYCFMQQDSA-N 435.550 0.991 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 786375959 MMWMZZUVWLDDMT-UHFFFAOYSA-N 437.504 0.807 30 20 ICED Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 787480611 DTJKHAAAXINFTQ-UHFFFAOYSA-N 430.472 0.807 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 791397059 XRXPQDTWNHYTQP-UHFFFAOYSA-N 443.485 0.311 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(O)nc1=O 796485264 JWXCERAGHPNRSD-CYBMUJFWSA-N 434.497 0.815 30 20 ICED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 799844114 AUNVIHVYOAJQBP-QOGUTNHQSA-N 435.506 0.079 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnc(S(C)(=O)=O)s1 803398063 KEFBWZVBNLVXMV-VIFPVBQESA-N 430.489 0.223 30 20 ICED CSC[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 813983999 LLGBEANPYLTPNU-RBSFLKMASA-N 436.515 0.665 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 816128888 BBEBEVSGDCVGAJ-ZDUSSCGKSA-N 440.434 0.907 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 839368650 DMUUUUZTSNGTDO-UHFFFAOYSA-N 449.492 0.185 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 857834132 PKCBKVKLCLOMEY-AWEZNQCLSA-N 449.485 0.450 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917762240 JYCVBDHLTXFKDZ-AWEZNQCLSA-N 429.546 0.701 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C 919013663 HFQKJDRHVLWQEU-PEBXRYMYSA-N 442.472 0.288 30 20 ICED CCN(C(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 919315361 ADRNEDREBMPBCA-INIZCTEOSA-N 442.515 0.052 30 20 ICED Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1290611939 YRYBDZDLRTVLLI-FQEVSTJZSA-N 447.565 0.819 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1303641671 SJHDQRJJZSCPRB-VKJFTORMSA-N 426.543 0.918 30 20 ICED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)CC1CC1 1319445893 DBGSUYAEIFVISE-UHFFFAOYSA-N 435.546 0.882 30 20 ICED CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1341981292 YBGTZRMQLFTUSF-ZDUSSCGKSA-N 430.490 0.813 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1554507074 IKXHMVCRCAJPNT-MSOLQXFVSA-N 446.533 0.781 30 20 ICED N#Cc1c(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)sc2c1CCC2 1616498066 UDXXFFDKQMZZGM-HZPDHXFCSA-N 438.575 0.213 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1618821686 SWPJIKSHODLNCJ-QINHECLXSA-N 436.534 0.773 30 20 ICED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1710197066 QSDUGFIJKYEFRV-GOSISDBHSA-N 435.492 0.818 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1712102855 IEKCKOVBWAMJAB-OAQYLSRUSA-N 426.477 0.263 30 20 ICED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1765872930 TZIVHECVAXBTBO-GOSISDBHSA-N 426.543 0.609 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CC)[nH]n2)C1 1777726376 XFIFRRSWANJFSR-YTWXUOMVSA-N 429.521 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777729948 UDQJZKKJABCVIL-UZQCKINESA-N 435.484 0.932 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)C(=O)O 1779442500 PODCWDCYAWZKAY-QEWGINQYSA-N 434.493 0.275 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1781966351 FIPXZAFZMQXHPT-OAQYLSRUSA-N 425.420 0.398 30 20 ICED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CCC2)C3)c(=O)nc1O 1783118085 MNMAAKKYTJXJTB-OPAMFIHVSA-N 443.504 0.465 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558302 WPSIQXSCKAMOPH-VVBPWWLESA-N 447.488 0.374 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783600856 AUXADBHRXORSHK-BURNTYAHSA-N 426.517 0.995 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1783676915 ORKIIXAOIGZDRY-IEZWGBDMSA-N 445.495 0.491 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686046 HMMCFVVBUGXYTI-KNQAVFIVSA-N 442.553 0.725 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1784536347 STMIARRZPJJFAC-FTAMUGHTSA-N 449.577 0.529 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1785571654 DKLKNXFNLYRORF-OPAMFIHVSA-N 445.520 0.780 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258370 XLZBBXZMFMNJBE-ZWOKBUDYSA-N 441.532 0.988 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1788700311 CVVTVBVTAUCEBI-JKQORVJESA-N 428.493 0.124 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n4ccnc4n3)[C@H]2C1 1790407819 BWDNWPOPGMPQFR-DWRORGKVSA-N 425.489 0.669 30 20 ICED C#CC(=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 1790794525 PBBUZBMDBLWSTD-QBYUYEEZSA-N 437.493 0.056 30 20 ICED CN(CC(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)C(=O)C(=O)O 1791092264 BFBFNIVTFUKWKY-UHFFFAOYSA-N 443.504 0.945 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558017 IOWVWGLFPQDEHL-HCBXPFHNSA-N 426.517 0.995 30 20 ICED Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)n1 1795811474 AGFACDMGDKVPQD-FAQVEIGNSA-N 425.464 0.806 30 20 ICED CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797607116 JZBUNXJWSMEFNH-GLNSEAPUSA-N 447.557 0.858 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1797646320 MCVMXEGRICMUNV-UYTYNIKBSA-N 427.567 0.672 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)c(C#N)c1 1799239929 NUYLBDVGSRHAAH-CCWDJLKJSA-N 425.445 0.441 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1F 1800400964 WUVLGOBYEZLLNE-BCEDRHLLSA-N 433.436 0.904 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CNC(=O)OC(C)(C)C)ccn1)C2 1800451208 RKFOPLNKOSWWJT-HGKCTWBKSA-N 428.489 0.943 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H]1CNc3ccccc3C1)C2 1800775837 JHMZGCUNIVLIBA-LZNNFJEDSA-N 425.485 0.729 30 20 ICED Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1 1801338302 GRZKAYLXBWQOMQ-FTSVGQHTSA-N 433.509 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1802478102 SFLGYRAZNFWEKG-RXPVHBRLSA-N 438.488 0.699 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C(/C)C(=O)O)[C@H]1c1cccnc1 1802497802 KFKMJUJBDAHSAU-ZHPMXGQUSA-N 426.473 0.977 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357389 FUONSKGMPKFZOX-AOIWGVFYSA-N 438.475 0.949 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1811887583 MMBHRENQRIFSFD-QKNQBKEWSA-N 434.500 0.866 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812534523 GTAHYKGUBLPJOD-TXPKVOOTSA-N 443.504 0.489 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1812620816 MHKWXXQMEWSDTH-ZEBLLBATSA-N 431.493 0.753 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812878997 ODBLZXPBZSYROP-ALKREAHSSA-N 427.486 0.202 30 20 ICED COC(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn1 1818225044 LGJMWNZYTATUBT-OAHLLOKOSA-N 425.401 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828964660 LWFANJLXVJRBHY-KDMQOPFQSA-N 448.564 0.115 30 20 ICED C#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829465039 SIPQOXMJNJWVIS-WMZHIEFXSA-N 441.532 0.138 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1829766087 LFGPFVORDBKLLE-VKUXZERMSA-N 432.452 0.149 30 20 ICED COc1ccc([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1830455193 MOBBZXCXMKBLKO-AOMKIAJQSA-N 430.457 0.343 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2)c1cccs1 1830579842 LFXQIXRGQVFADN-HHWYYFAASA-N 434.514 0.714 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NO4)CCO3)C2)CC1 1831253763 CERUVGZKRYHJAV-CVDCTZTESA-N 438.484 0.940 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1831391281 MEMZXDILQBUPTF-HTAPYJJXSA-N 434.464 0.699 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1831401498 AWYYMTJEBMKQKN-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831817275 YOTUORRDBZBINP-UTKZUKDTSA-N 435.525 0.908 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1832079434 YRGSGNAEMCOGBQ-VGOFRKELSA-N 435.521 0.866 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677099 SYEBDTIXMOGVMI-XMSQKQJNSA-N 433.505 0.490 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cccc1=O 1833873223 JLJDUAAMWMYPBP-YVABFXQFSA-N 442.472 0.167 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1835677633 LZYXTGVIXJEKDI-NRFANRHFSA-N 431.493 0.139 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835992620 BDPAQDXHFKQJEA-XMMPIXPASA-N 435.480 0.356 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)n1cnnn1 1836170899 VUBUGLLVIDGQAP-CQSZACIVSA-N 425.497 0.319 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1836859367 XMKCZPYWOCZZQV-CQSZACIVSA-N 433.465 0.968 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1836868421 SXMLTJLYPLPYQT-MAUKXSAKSA-N 441.525 0.641 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1837397678 RXTDZTKCBYWQEA-JLTOFOAXSA-N 438.550 0.677 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531064 BHEAGBQBABRRTK-JCFVMIBISA-N 447.492 0.384 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(C)C)CCO2 1837601918 HIZSFFRHHAUUJD-UTKZUKDTSA-N 426.510 0.766 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838107586 AACCSLSXPVCVGB-NRFANRHFSA-N 442.428 0.644 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838386211 CNYTWEXPDOPOHG-SFHVURJKSA-N 444.594 0.993 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 1838737348 QAGVXJJJYOGTAD-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(OC)c3)CCO2)C1 1838929726 GFWSNVBEADNMAD-UZUQRXQVSA-N 446.500 0.812 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839389275 FOXYHDWICRJTIM-IFNMQTAJSA-N 442.472 0.517 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572369 TYKFKYNLZGMMRN-QMHKHESXSA-N 441.484 0.290 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839783950 POKRJEIXKDNKAV-GHTZIAJQSA-N 447.513 0.205 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1839866666 HXLYDKGHLNPFAR-AUSIDOKSSA-N 440.500 0.083 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004695 LJLBPHDTYCHXCG-RQTSHOTFSA-N 436.505 0.377 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1840017936 MKVHCGCJVHXUJM-SLBVSICGSA-N 445.541 0.671 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840161247 JCRJMKOIDRIBTJ-KZULUSFZSA-N 439.925 0.771 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840175702 ZONHQRWPVCKVMM-FQEVSTJZSA-N 432.502 0.772 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203409 ZYZMXDYPJVWXGL-KXBFYZLASA-N 447.454 0.890 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716896 WSPNTRJWBVHWDR-ZHRRBRCNSA-N 428.489 0.520 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840841610 KVZRVGHYGOXJKP-QFIPXVFZSA-N 426.473 0.450 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840946093 WNPHLBUSTMCILO-FQEVSTJZSA-N 441.500 0.978 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841298678 QVNSUQRBSZGBTB-KRWDZBQOSA-N 449.548 0.774 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838103 QOWGUITZWBYTJE-OAHLLOKOSA-N 428.555 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844738862 ONSNBYGQWOMRIB-CQSZACIVSA-N 425.445 0.534 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845207026 WASDCHOAFYAADE-KSFYIVLOSA-N 435.521 0.912 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C1 410150233 ZIFLOMQTHTTZKR-YESZJQIVSA-N 448.615 0.445 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O 438046477 CYPBLMQYPNIOPZ-WBVHZDCISA-N 438.440 0.139 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCOC1 441942640 QAISGHGLYJUWTR-AWEZNQCLSA-N 440.481 0.636 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 444495056 CXMPPJKGRKQNNZ-UHFFFAOYSA-N 445.386 1.555 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1=O 471949105 RCHQUGCNMQIWRS-UHFFFAOYSA-N 427.465 0.679 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(=O)OC)C3)nnc12 487711327 MICCQUJRABPMGE-OAHLLOKOSA-N 443.485 0.723 30 20 ICED CN(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 502547736 DQIWDTWAJCIDHI-QGZVFWFLSA-N 434.518 0.276 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N[C@H]1CCOc2ccccc21 506666405 SWZNWJKGEKJMEF-KSSFIOAISA-N 442.497 0.981 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 507278414 LNQVPYKUCBCGEP-UXHICEINSA-N 446.573 0.875 30 20 ICED Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)no1 512428788 ZDYOBGRCWPTTBJ-SFHVURJKSA-N 431.541 0.232 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)cc1 516448350 SLRCAFXIANCRRT-UHFFFAOYSA-N 446.533 0.966 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 538270820 DTUOYZCNIOWPNL-JTQLQIEISA-N 426.442 0.771 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542074449 WVTDKIGONKMLLE-GFCCVEGCSA-N 430.852 0.387 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O 543951151 SKOPUBSLQRAZFN-UHFFFAOYSA-N 446.916 0.013 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nn1 546587594 ZAVJMUGKCBRNOI-OAHLLOKOSA-N 442.480 0.219 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)c1C#N 554353519 DLPQMLHLZBWRIU-OALUTQOASA-N 443.552 0.008 30 20 ICED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 555095437 ZDBZXKOQYIEHNB-UHFFFAOYSA-N 442.563 0.545 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 564065718 BPPKLYNTYDLBLP-QCWPFBFRSA-N 440.500 0.965 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1=O 565922910 NCQUERFGOPWBPT-AWEZNQCLSA-N 430.324 0.973 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCn2cc(Br)cn2)n1 580013383 NJGSEYGOJODVGM-UHFFFAOYSA-N 429.238 0.853 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654733 RFSOMZIAXLGELI-UHFFFAOYSA-N 425.493 0.447 30 20 ICED CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608961051 ACQNVTCTOUKZTR-QGZVFWFLSA-N 436.559 0.949 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609730071 NRPNKXDBPWXBCK-UHFFFAOYSA-N 434.430 0.949 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1C 611359451 HRNLQCCQNJQVMR-UHFFFAOYSA-N 426.433 0.836 30 20 ICED C=CCn1c(Cc2noc(Cn3nnc4ccccc4c3=O)n2)nnc1N1CCOCC1 680713423 KCFKJIBPMANHTF-UHFFFAOYSA-N 435.448 0.428 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 726043466 UYHKUJPKPMJOKD-UHFFFAOYSA-N 425.300 0.467 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(=O)N(C)C)c2=O)cn1 732563371 WDQSGTCSBBPKQW-UHFFFAOYSA-N 435.509 0.600 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 734359861 CIHYXVDBYDNCIH-UHFFFAOYSA-N 446.533 0.402 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829375 GTRKRUCAQRZKJB-UHFFFAOYSA-N 448.888 0.853 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccccc1 743725802 ZYEUUARGRCQRKE-UHFFFAOYSA-N 435.509 0.547 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@H](C#N)C1 749655658 OGMMIBHUQHTBRC-OAHLLOKOSA-N 449.533 0.668 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)CC1 749667714 WRHALKFCVJWOIM-JXMROGBWSA-N 428.489 0.648 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)[C@H](C#N)C(=O)NCCCOC(C)C 750312863 UNPXTWGTYVECGG-INIZCTEOSA-N 439.480 0.505 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C(=O)C1 783829955 NYVNVNOPXIEITA-UHFFFAOYSA-N 430.421 0.429 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 789788346 QVXJEAMVMWIEHY-UHFFFAOYSA-N 440.439 0.553 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)cc1 803404418 OXCJLVGDQBBSPD-UHFFFAOYSA-N 425.463 0.898 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 839301741 FXCFKIHWGRHJDV-UHFFFAOYSA-N 437.525 0.916 30 20 ICED CN(C(=O)COC(=O)c1ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)nc1)C(C)(C)C#N 919275615 NFCQVNGZHVTZCI-UHFFFAOYSA-N 443.460 0.916 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CS(C)(=O)=O)C1=O 1318560550 BEXLUUGJBCZLFS-ZWNOBZJWSA-N 426.520 0.286 30 20 ICED CC(=O)N1CCc2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2CC1 1325696539 QCTXKTRBZFMMBF-VXPUYCOJSA-N 432.502 0.438 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1359474221 OVXJEAUVRFBMLR-QZWWFDLISA-N 440.570 0.879 30 20 ICED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1460233099 LYXGOHYIMIXYED-MRXNPFEDSA-N 428.532 0.773 30 20 ICED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOC1 1517950852 ZMBFFEADFFNJFE-FQEVSTJZSA-N 447.517 0.769 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1554511755 RXZVBIZBPXTXRD-QGZVFWFLSA-N 426.449 0.987 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692670283 KVESXVDKIWMIDY-GOEBONIOSA-N 445.549 0.798 30 20 ICED CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1708316182 VPRVUMQOEHEKKS-XUWXXGDYSA-N 425.559 0.226 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1710156838 UFBSQNGAASUFEF-RDJZCZTQSA-N 439.586 0.834 30 20 ICED COCCN1C[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1=O 1749863416 VLEDNZYWYYATDJ-DLBZAZTESA-N 429.525 0.854 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1752452649 QYBDTIIFEOBOHA-GZRFBZBPSA-N 431.518 0.980 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c1 1770346722 ILHWLYSPACEADI-FQEVSTJZSA-N 439.520 0.847 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976637 MIQSOJRTRZIGSP-GKSBZVEZSA-N 442.476 0.702 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778117701 SWIVNNNJWHVLCZ-NRFANRHFSA-N 439.578 0.682 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465858 HIJKHCVNHLHVDZ-UZWDYZERSA-N 442.476 0.702 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396483 KRZDIBYCGBAHHQ-JBYIUTFZSA-N 433.549 0.710 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)c1Cl 1780188356 TYZBPJOHKSZHPJ-XOBRGWDASA-N 445.863 0.253 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1780192661 DUWLTHCJPDWTAT-YJYMSZOUSA-N 429.868 0.903 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)n5)CCO4)C3)c2c1 1782195808 KEOZGUYIRIUVEX-NRFANRHFSA-N 449.427 0.393 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280305 SOKSKLPSDHWJJK-VSDLEHRUSA-N 447.492 0.638 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cc4cnn(C)c4)C3)C2)c(C#N)c1 1784577004 KXVPNEYGJIHMPT-QHCPKHFHSA-N 437.500 0.915 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785381915 IOPXGZZYMGEEDA-HXUWFJFHSA-N 435.502 0.202 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785719693 ZHUAITSXGAVVOW-QFIPXVFZSA-N 449.504 0.551 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c1Cl 1786804115 ZAHCVTPPFLVGAQ-HJWJTTGWSA-N 447.923 0.398 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269649 LYORCUJTMRWAKQ-JKQORVJESA-N 441.492 0.174 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1788575413 ITSGQZLPNHYXDA-ZUXXIDCJSA-N 434.489 0.970 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637354 PAHQJDXAZINBOB-VXPGZMDGSA-N 431.533 0.705 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652301 BHIGUKHENQRFLP-FRJWXJJESA-N 438.525 0.410 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)c1 1790268949 HVWBJYKYQHRRLJ-SZMVWBNQSA-N 439.472 0.012 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4nccc34)[C@H]2C1 1790398174 WYUMCMAOYNMKBZ-UYBBGVAXSA-N 437.500 0.786 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3C(F)(F)F)C[C@@H]21 1791077186 ODGTUULAPDTUSG-OBJOEFQTSA-N 425.363 0.782 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccc(O)cc1 1791078004 PGSQZMKYNFMJNH-ZFMNYDKASA-N 438.480 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1792120688 ZTQCGRRQRZOHSH-XSLAGTTESA-N 437.537 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1792489954 FONSJHAHPNBVJW-BEXDMUFCSA-N 442.501 0.148 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cc1ccncc1)C2 1792490835 PGHNWBNESOEQTC-SQPNHVSGSA-N 426.517 0.708 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792895099 KOILEMPVONXRPC-FXEMHJIVSA-N 425.551 0.920 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262618 CNDHJTMFQSEMGJ-QRICJDHISA-N 441.503 0.876 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1793352909 SUMZJLOJPQOXLA-SHJAMOMRSA-N 447.536 0.029 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](S)C(C)C)cn2[nH]cnc(=O)c12 1793383244 RCTIXIBOCGZHEZ-IARIHHJXSA-N 433.534 0.489 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728474 RXWBKHFLNPEDGA-LMLFDSFASA-N 430.420 0.886 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1796334952 WRAKYHRGKCKQMN-DMUMMCEESA-N 447.532 0.625 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1797836838 BNFGFMSLWMQQDP-MEBDHWGESA-N 439.472 0.113 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967298 LLOUOGRSEAUEKM-CMRMJKJJSA-N 438.488 0.981 30 20 ICED O=C(CNC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798499902 DSHMQNANGCEDAD-BDHZGTTESA-N 434.415 0.832 30 20 ICED Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)no1 1799883424 IFDKQDMIMSWHGH-HBCWATKFSA-N 435.444 0.572 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)cnc2c1 1801980141 CCZDGAZJTPTKOA-HGKCTWBKSA-N 435.484 0.900 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804196820 QMVHIUZKGMHIQR-KNQAVFIVSA-N 446.573 0.621 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)N1 1806815376 KJVGXGAJGKQNBA-FTNYNYNNSA-N 443.504 0.895 30 20 ICED O=C(CN1CCOCC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1806907077 ZYFSPNXOAKOCND-SBSGUARVSA-N 442.564 0.891 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1806946488 ZONZUOAHKCCHSH-ICSRJNTNSA-N 426.517 0.874 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1807026859 UZOQZGGZIAKPGJ-MAUKXSAKSA-N 446.404 0.326 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810244031 BMQKKVOTMTXFMA-TXPKVOOTSA-N 443.504 0.212 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814417612 FLRKVJHQBSAPKV-WQARMTCMSA-N 435.506 0.863 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817082185 ZLCGQAAZPWMDBX-JTQLQIEISA-N 445.505 0.852 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818017917 YGDKGNJBBHRSSR-OFQRWUPVSA-N 447.540 0.604 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)nc3sccn23)[nH]n1 1822200336 DTNYDEQJKLCWQF-GFCCVEGCSA-N 440.441 0.873 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)c1 1827400242 KWXOEOVDLFHKBH-KRWDZBQOSA-N 449.475 0.559 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913386 RZTNJQWEXSPMNV-NNFADHLQSA-N 434.585 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1829759631 JRQMJYCBLZNLDZ-FBQMEGEOSA-N 448.432 0.116 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1829770592 ZPMJSOAHQHJCTK-IZRJCCQOSA-N 437.512 0.974 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1829903750 CJNPTOCIQYSSSR-QFIPXVFZSA-N 440.456 0.351 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829918964 KFPPODSFIHWWPH-XXBNENTESA-N 434.533 0.711 30 20 ICED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1831306285 ALWWEISJOVYSNL-SFYKDHMMSA-N 442.468 0.343 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)c3ccc(O)cc3)C2)C1 1831396175 ADCZXVNDCKQVHH-PNCHPQGNSA-N 430.501 0.990 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831414113 RHXDYIJBIDIAAY-JPYJTQIMSA-N 446.548 0.954 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833384632 ASXDZPMNPDKGAX-GOSISDBHSA-N 426.583 0.965 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3nnc(C)s3)CC2)CC1 1833464793 UIGPFEVTWCJHRF-OAHLLOKOSA-N 433.578 0.999 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1833469287 PONKBYAOJOUPJS-OAHLLOKOSA-N 425.551 0.414 30 20 ICED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833479908 UYWRPCIDJZILSL-UHFFFAOYSA-N 447.561 0.978 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835289980 QGIHEZWUPKCDFU-YDHSSHFGSA-N 432.517 0.750 30 20 ICED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)c1ccccc1 1835352019 KBOIKIRDFJGCJU-QFIPXVFZSA-N 428.489 0.519 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1835356841 PIWKGWGLCHDFJP-QHCPKHFHSA-N 440.500 0.793 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835827530 RSOFIRRZKIQJMG-GHTZIAJQSA-N 434.562 0.847 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837170940 ZPWPNQCWNMMEMZ-KKSFZXQISA-N 444.492 0.600 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1837396794 KKVMQGSCBBVTOT-WCAVRKLYSA-N 447.532 0.891 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1837399601 XKFSHOAONQHMMD-IEGUWTFLSA-N 447.532 0.439 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837488985 WPEDZEPBMWDJRT-HSZRJFAPSA-N 444.532 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1837527395 MKAYUTSZCCVKKS-SMHWIJLPSA-N 438.506 0.742 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531245 ZZXFEVKILIBHRP-LEAYQFNCSA-N 449.508 0.177 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837531597 QMMCMBXNPRJAOU-XGVOGHQPSA-N 448.476 0.386 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837563497 ZNSRYSWHXYGNDT-XMHVBLFMSA-N 426.473 0.793 30 20 ICED NC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403436 IQKSYTOHAFQJKK-IXOWOOARSA-N 439.513 0.182 30 20 ICED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1F 1838731833 BDEVXNBSBZVBRT-OAQYLSRUSA-N 443.435 0.813 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1838907784 NTQFQWKHUVWDSA-OAQYLSRUSA-N 426.429 0.422 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839036429 BZFLLJNGYOAJBJ-ZHRRBRCNSA-N 446.479 0.704 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839350011 DNTZTENCWBSZCM-VWLOTQADSA-N 447.491 0.907 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839554278 YYIOZKSAZHRDOU-OPAMFIHVSA-N 444.463 0.582 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1)C(F)(F)F 1839893001 LVAUVZXWUCQTOM-AWEZNQCLSA-N 448.316 0.667 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-c4ccccc4)n3)C2)C1 1840042792 OORKTCCCYWKEOR-XMMPIXPASA-N 449.463 0.907 30 20 ICED C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Oc1ccccc1 1840044325 CYCSDUARQIDQMP-JTSKRJEESA-N 430.457 0.388 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840158793 RCQNTDBOHDZVDJ-AUSJPIAWSA-N 443.566 0.771 30 20 ICED O=C(CC[C@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840589124 ZSBUEDOAQWBEMF-BAANAVDVSA-N 433.505 0.972 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)CCC1 1840815017 RICHEDGAVYTSDB-KRWDZBQOSA-N 442.398 0.587 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cc5n(n4)CCNC5=O)C3)c2c1 1842564387 KUDYPIHFICENBO-UHFFFAOYSA-N 444.455 0.505 30 20 ICED COc1ccc(-c2noc(CN3CCN(S(=O)(=O)N4CCO[C@@H](C#N)C4)CC3)n2)cc1 409545925 SCFXVOXQFBPZPF-KRWDZBQOSA-N 448.505 0.332 30 20 ICED COCCN(Cc1scnc1C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 427693193 GKDAQUACVXKUIO-UHFFFAOYSA-N 439.501 1.577 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 430373495 IHXKXBBZNLKAFR-FCEWJHQRSA-N 447.536 0.589 30 20 ICED C[C@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](C)S(=O)(=O)CC3)n2)CCS1(=O)=O 436370311 MESHBYXXKRYPIC-LSDHHAIUSA-N 426.564 0.980 30 20 ICED NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#Cc3ccc(F)cc3)CC2)cc1 438772337 PLHYQDUUFXXCKC-UHFFFAOYSA-N 437.518 0.831 30 20 ICED CCOCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C#N)cs2)c1=O 439876964 VZYMLHAMKKEXTK-UHFFFAOYSA-N 431.539 0.584 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCOC1 441928173 YJZCXDGOOZRXMZ-INIZCTEOSA-N 443.525 0.221 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](CO)Cc1ccc(F)cc1 460612553 DMQGYGCIOHAZQE-KRWDZBQOSA-N 436.447 1.492 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c(F)c1 463601781 UIZWSDCMULUWOA-LFGUQSLTSA-N 426.448 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 470212900 CPZDHKZIPPISLE-ZDUSSCGKSA-N 436.925 0.961 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cc3c(C)[nH]c(-c4ccncc4)nc3=O)CC2)c1C#N 473010198 PODWIGGHRRKQJK-UHFFFAOYSA-N 432.488 0.945 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C 483681696 JDXAABZEOLWAKJ-UHFFFAOYSA-N 426.477 0.765 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503120479 ULBJMGDIGACXCN-RBUKOAKNSA-N 427.505 0.938 30 20 ICED CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508365079 RBLNLZIMVNHORC-UHFFFAOYSA-N 433.494 0.229 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508828219 ORIBLYKCAUWQBR-QGZVFWFLSA-N 437.464 0.312 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n(C)c1=O 510119604 PVUNWICNBHCCEJ-KRWDZBQOSA-N 435.488 0.060 30 20 ICED Cn1cc([C@@H]2CN(CC(=O)NC3(C#N)CCC3)CCN2CC(=O)NC2(C#N)CCC2)cn1 526135465 MYJPHEVUPXYFHF-SFHVURJKSA-N 438.536 0.204 30 20 ICED CC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 541205682 MLTAFWXTLCTEGG-KRWDZBQOSA-N 446.533 0.892 30 20 ICED C[C@@H](C(=O)N[C@H](C)CN(C(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 543073690 CSZHVDYMVLIICQ-PMPSAXMXSA-N 446.475 0.973 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(OCC(F)(F)F)nc1 550527994 MADRVMAKFHIINQ-UHFFFAOYSA-N 439.398 0.907 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4nccs4)CC3)CC2)c1 552493338 INAYNHJXCKTYMB-UHFFFAOYSA-N 425.518 0.844 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)c2c1 553159264 MHOAMLWQAWZEIB-UHFFFAOYSA-N 429.462 0.753 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 553696557 JBIDJMSHYIWKSQ-UHFFFAOYSA-N 432.484 0.941 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)c1 560308793 GHOBHIVJGMGYPT-UHFFFAOYSA-N 445.483 1.539 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 576428564 RCZRDIWEDGOKPV-INIZCTEOSA-N 430.552 0.099 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccn2)c1=O 590902269 MOZDFHBCFRIRHM-HNNXBMFYSA-N 430.530 0.386 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1C1CC1 590998761 XSQQYJLDMOVOEC-UHFFFAOYSA-N 443.481 0.248 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603989240 ZKFYFCPHPTWMAD-AWEZNQCLSA-N 427.526 0.909 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 609620180 SVTCUDOOQYUSCB-MAUKXSAKSA-N 433.534 0.379 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610289652 JDUKXVHMCDMNES-WUOIFLIFSA-N 426.448 0.697 30 20 ICED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 674475031 AZYZYWGHCPFTRG-UHFFFAOYSA-N 426.498 0.914 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccccc3OC)CC2)c1=O 728050249 QSSJAWDPWMLWRH-UHFFFAOYSA-N 427.505 0.328 30 20 ICED NC(=O)[C@@H]1CCCN(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 728077502 JZTBSMCJLLUFSJ-OAHLLOKOSA-N 435.550 0.209 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCN1C(=O)CNC1=O 733380672 PYINXCUKQKFNBW-AWEZNQCLSA-N 436.490 0.625 30 20 ICED Cc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 738856751 XVFRYPABCBRLNO-CYBMUJFWSA-N 427.461 0.829 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 746762311 XDXAPWBDJIWNPF-DKASORFFSA-N 447.473 0.466 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359380 QKCVEZDEVKBCQK-UHFFFAOYSA-N 428.514 0.996 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 755553541 QNAHBTSNAOSKQA-SWLSCSKDSA-N 431.449 0.364 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3ncccc3c2)c1=O 758067802 IKIPRSJHNCSEOF-HNNXBMFYSA-N 432.505 0.745 30 20 ICED COC(=O)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 759008339 ZUZJPEFLQNHGRB-CQSZACIVSA-N 437.474 0.134 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 761026318 YUCUIUDTTQZHNL-AWEZNQCLSA-N 437.522 0.066 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 763249557 DDTLFORXMMDHEN-UHFFFAOYSA-N 433.486 0.272 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769639160 LLQGFTVDLSGVNJ-UHFFFAOYSA-N 429.546 0.392 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)c1=O 771200188 NOZSBFYJBLEEKJ-LJQANCHMSA-N 432.440 0.981 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800045114 BAFWKMCRWPQPEX-UHFFFAOYSA-N 433.575 0.578 30 20 ICED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 807833560 BODSBZFZGKIVEY-HNNXBMFYSA-N 428.493 0.585 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cnn3c2OCCC3)cc1 816203399 KSMJRYUDMDAKLT-UHFFFAOYSA-N 438.487 0.862 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 838247756 XWXRQTBLYSIVKV-UHFFFAOYSA-N 431.489 0.829 30 20 ICED C#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 916039164 CCYHKLPXJNMVDO-UHFFFAOYSA-N 434.255 0.675 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1 919020877 QBBWEPNLZCBVLP-KRWDZBQOSA-N 428.466 0.875 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1303050657 WPLKAZQQUNIVOO-PKOBYXMFSA-N 449.577 0.138 30 20 ICED N#CCc1ccc(OC[C@H](O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1347090023 GAEVFVLRLSGCTE-HXUWFJFHSA-N 428.533 0.928 30 20 ICED CN(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)c1ccc(Br)o1 1515068186 UJFGYSWQSITYHR-SNVBAGLBSA-N 446.279 0.080 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1541946230 RLRVKOHVRSEHLP-QWHCGFSZSA-N 439.473 0.230 30 20 ICED CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555804939 KSTDLUDVTNQGGM-MRXNPFEDSA-N 435.554 0.012 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1622436504 OASYLAZKUQBMDF-UHFFFAOYSA-N 443.323 0.680 30 20 ICED CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1710320611 UWGWOWBPHPAVRC-IFXJQAMLSA-N 438.529 0.929 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1711020664 XCNHCVOZFJYYNL-HNNXBMFYSA-N 444.583 0.202 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1728817359 LRXUZHGABQUGDY-WAOWUJCRSA-N 434.541 0.627 30 20 ICED COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1749834088 MKJVXOAUYJNSRZ-UHFFFAOYSA-N 428.493 0.775 30 20 ICED Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751809909 YPKRACKOAASTKD-YOEHRIQHSA-N 447.569 0.270 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1764304798 WERDYPPVQAGBBH-CABCVRRESA-N 428.559 0.900 30 20 ICED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1771100361 NRCQMWVKRJWOCD-QGZVFWFLSA-N 435.492 0.931 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1777983589 NPJNDVCQZKSGPP-UIVXKWKOSA-N 425.530 0.748 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779224159 GZCSIYOIJSHJFP-HTAPYJJXSA-N 438.488 0.695 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1780167423 UOAPKGSZROJBEL-OAQYLSRUSA-N 429.477 0.282 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181894 VEBPZAOBOSHMLX-OXQOHEQNSA-N 432.550 0.498 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)ccc1F 1781297779 YKKYCJFQFNKFIP-NRFANRHFSA-N 425.420 0.879 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1782195470 CANHXHUBPKFYPF-NRFANRHFSA-N 435.444 0.812 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783440967 XIWFZWHJXSNYRR-KNTRFNDTSA-N 426.517 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cc(C)on3)C[C@@H]21 1783531087 BSSOKKOEUJBUNE-FGLDAZOISA-N 428.489 0.834 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603400 DSNKBGHRPMMZLE-VJANTYMQSA-N 427.505 0.527 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccc(=O)oc1 1786278632 UXZLVCRSUYSMJS-WDSOQIARSA-N 428.485 0.932 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857969 JXPIHBWXLCMFBD-XWSJACJDSA-N 430.553 0.781 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788754935 UUVAIWXPWUZMCY-VJANTYMQSA-N 431.533 0.355 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CC[C@H]3C)C2 1792489117 HLYFHTHPPMJYEY-OJLBIXRYSA-N 427.505 0.521 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793263299 UOMIOCZQHRNLRP-ZQYRFBGISA-N 447.532 0.361 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793956073 CNKDUJCHGCYQKV-RMFSNUHRSA-N 430.505 0.384 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](N)c2ccccn2)c(C#N)c1 1795612250 HGELWOVVXHQFHN-AAUAJYIVSA-N 449.511 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)nc2n[nH]cc12 1796051768 KJFKZHVKWCRQLZ-KOFHJDLBSA-N 431.880 0.853 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1797589249 GZXFKXHYKXNDIW-XGWLOPGHSA-N 444.488 0.581 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)NCCC#N)C3)CC1 1797930701 SKOLWOZITMKYJZ-REPLKXPHSA-N 432.569 0.071 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798412314 VBHSLRAHLSLXCI-ZJOBFFGXSA-N 432.502 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2sccn12 1799091997 VNTDTZWVUBXLFY-BNHNOLAQSA-N 441.513 0.866 30 20 ICED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801445891 JYICVZGBEIBQNU-XFIYOXNOSA-N 433.534 0.108 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1803459468 SHDKDULZIHCBDR-RXVVDRJESA-N 435.484 0.772 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1804172167 HMQCODILZHAXHU-SXLOBPIMSA-N 434.562 0.657 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)C1 1806003563 UKSLSBRFDDJMGP-ROUUACIJSA-N 441.532 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1808441836 ZNIYYWLRTOEZNB-KNQAVFIVSA-N 444.532 0.929 30 20 ICED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/N2CCCCC2)CC3)n1 1819556269 DNVPWKYNDXMERM-KIHMUJGBSA-N 445.553 0.860 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819888933 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1831488572 XOQRJWSPCNWJMJ-QFBILLFUSA-N 425.507 0.517 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831491706 FERIAXNAJLOZPS-DNVCBOLYSA-N 438.506 0.199 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1832452984 NAQGNYRWMMGUEA-NRFANRHFSA-N 449.529 0.857 30 20 ICED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1833020468 HKSZHJILAJYZAJ-HXUWFJFHSA-N 444.517 0.749 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3cc(C)no3)CC2)CC1 1833730773 IISSIESMYIJVIR-PLNGDYQASA-N 443.548 0.956 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c(C#N)c1 1834106105 MMQDFVRREZXIDR-QFIPXVFZSA-N 439.472 0.603 30 20 ICED O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834621532 QYJJDHGKNKFEQZ-LFVJCYFKSA-N 445.564 0.602 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1834827455 NKHLEBSJAALKQJ-CVDCTZTESA-N 430.501 0.950 30 20 ICED Cc1noc(CC(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1834851371 PLXJPTJSCIEYRY-XQNSMLJCSA-N 445.568 0.964 30 20 ICED Cn1c(=O)n(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c2ccccc21 1835356835 OYJCQODHYYZJHT-QFIPXVFZSA-N 441.488 0.100 30 20 ICED Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767826 TYLVAUVWRHECOQ-VZMFNRANSA-N 447.540 0.827 30 20 ICED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1835843188 KWSZNESUVKZOGF-JWWNMXMMSA-N 433.490 0.507 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1836062565 QRQPRQKNTPECRO-HSZRJFAPSA-N 444.532 0.118 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)N1CSCSC1 1837570164 GCYLYCKWNMRIAR-MAUKXSAKSA-N 428.580 0.790 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1837588873 WQSRKOVARROHHD-YHAFYQSGSA-N 449.508 0.246 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837658921 FLQNFXHPHFNQMI-SBUREZEXSA-N 446.548 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033548 IOUSREUKRSNFJQ-AUUYWEPGSA-N 426.420 0.387 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)o1 1838734618 GHSGUQCXXDQKGV-HXUWFJFHSA-N 428.449 0.324 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)c1 1838736180 ONTIDSBIAVASAP-NRFANRHFSA-N 435.444 0.313 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1838906523 NSHUQWCWACIHEF-JOCHJYFZSA-N 438.440 0.341 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210654 WYJVQVFTBCKNMW-KKSFZXQISA-N 441.525 0.295 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839238877 FEDNROLAFXRRRW-HTAPYJJXSA-N 438.488 0.675 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1839360871 DINYKBWONPHCPN-QHCPKHFHSA-N 426.517 0.918 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388320 NOBNTZLSSYMXJO-DYESRHJHSA-N 439.509 0.089 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485982 GMZPTZSWPOEAFF-IVZQSRNASA-N 441.488 0.787 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839539672 UXVSIAKCCSEEES-XXBNENTESA-N 442.516 0.977 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840039730 GDDSHXHDLONTAA-VFNWGFHPSA-N 434.876 0.988 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)C1 1840043841 WXSQOQPRPADHDN-QFIPXVFZSA-N 438.440 0.235 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCO2 1840115942 NTJRDQPDSIPDCB-HTAPYJJXSA-N 437.537 0.873 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840157622 VYXPUKZKABTRRA-BPMZZNLFSA-N 447.557 0.634 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840158086 GRHPDOVJVDRTQC-YCRPNKLZSA-N 443.529 0.927 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840161584 UQEKTSCDJVJLJL-SGTLLEGYSA-N 431.461 0.632 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840405865 HMXYUSGOSXQATO-PGRDOPGGSA-N 448.520 0.718 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840790119 UMRMTTKNRWYACX-HSZRJFAPSA-N 427.501 0.872 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840854771 MQINDSXQSDULBC-REWPJTCUSA-N 442.516 0.933 30 20 ICED O=C(NCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc[nH]1 1842015250 CVRYSMZMQMUMKD-NZYROCMPSA-N 431.493 0.867 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1842872611 SODLGEKKQRHWLA-CQSZACIVSA-N 435.529 0.260 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1847070545 ZPVBIOSDULNXCH-CYBMUJFWSA-N 445.476 0.621 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)cc(C(F)(F)F)c1 1848131014 UROKNKMOHNIWCK-KKUMJFAQSA-N 449.389 0.991 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc(C#N)c(C#N)[nH]1)n2C 26269590 KXZRMFUFNVVALX-UHFFFAOYSA-N 426.462 0.861 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 61355540 RLKFIVDXOXJDCM-UHFFFAOYSA-N 429.452 0.032 30 20 ICED C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C[C@@H](C)O2 430484951 IGVHAPMRBRTQLW-MCFFVMPBSA-N 438.488 1.322 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCCO1 433645540 CSJCRSXHLSLSCN-HNNXBMFYSA-N 428.468 1.439 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)n2)cc1 437078519 QLYRAZWESAORGM-MOPGFXCFSA-N 449.515 1.434 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)cn2)C[C@H](C)O1 440118468 DSVWIRHZGXZCQX-HOTGVXAUSA-N 438.488 0.688 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCOC3)c2=O)nc1 441949622 SBCNSVUBBADQCZ-INIZCTEOSA-N 426.542 0.925 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 471019182 PAXIDMKVNXWBQK-OAHLLOKOSA-N 425.580 0.783 30 20 ICED COC(=O)[C@@H]1C[C@@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 481513843 YETGDIRACPZPJL-WMZOPIPTSA-N 448.545 0.665 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccc(C(N)=O)cc3)CC2)cc1 482133167 CDENMZUGAQGHRI-UHFFFAOYSA-N 442.497 0.959 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 499146559 MNRXZHXNMDGBSV-UHFFFAOYSA-N 441.513 0.879 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 502032454 QFBZHAMDTZCKTF-CYBMUJFWSA-N 440.522 0.750 30 20 ICED COc1ccc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 507453058 YDOHPEZHHFCTNT-UHFFFAOYSA-N 444.517 0.684 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508998774 DWRYGNGYBFHQJH-AWEZNQCLSA-N 433.542 0.315 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@](C)(C(=O)OC)C1 509014567 RULHNRWUQVCZDH-QWQRMKEZSA-N 427.527 0.432 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 509387810 LSWNWQMLBBWWGE-XPKDYRNWSA-N 437.474 0.178 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CCN(CC)CC2)C1=O 524652782 AHHAEDPQGOUDPP-UHFFFAOYSA-N 427.505 0.417 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)c(F)c1 525691126 VAZOQNHNFSFBRR-UHFFFAOYSA-N 435.437 0.016 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccon1 533715433 RHRRMUNQPBHPIX-UHFFFAOYSA-N 446.435 0.490 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 537037030 KDFSADRMVFMHLO-ZWKOTPCHSA-N 425.541 0.327 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 552591595 FQWBXEPBVSGKIJ-UHFFFAOYSA-N 428.537 0.003 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3CCN(CC(F)(F)F)CC3)CC2)nc1 563764092 YKIPALSDZCGCEP-UHFFFAOYSA-N 438.454 0.992 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 568404789 MCXVCCFETHAHNS-IRXDYDNUSA-N 427.505 0.127 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1=O 580578129 NPUGIEOGPOGEPM-SFHVURJKSA-N 428.489 0.021 30 20 ICED COCCO[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581242485 NEHSTZJATZVSSQ-MOPGFXCFSA-N 428.489 0.429 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccnc(OC(C)C)c3)CC2)c1C#N 584860653 HKGXHIAHHKMNDI-UHFFFAOYSA-N 425.493 0.747 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270086 PEZHOFMLIJJWRV-UHFFFAOYSA-N 426.542 0.582 30 20 ICED C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609296319 KUOOXBOYTSRAPX-KRWDZBQOSA-N 434.566 0.210 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618895090 RWCKOQRATIBVJJ-QWHCGFSZSA-N 432.481 0.712 30 20 ICED C=CCn1c(COc2ccccc2OC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669813325 JUKPAVRXZZCFIM-UHFFFAOYSA-N 436.538 0.980 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(=O)N(C)C)cc1 680887919 LYMMDQZITAVTQP-UHFFFAOYSA-N 435.509 0.426 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 728533957 DMYPRSVGWOADCB-UHFFFAOYSA-N 438.488 0.964 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C1CCN(C)CC1 732562908 OIPFGVPGGWUFFQ-UHFFFAOYSA-N 426.546 0.198 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(C)c3C)n(CC(N)=O)c2=O)cn1 732563855 FPJORTMOVKJMDS-UHFFFAOYSA-N 435.509 0.614 30 20 ICED Cc1nn(C)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 733609501 PCDVEGCDGJTVEZ-UHFFFAOYSA-N 431.474 0.290 30 20 ICED O=C1C[C@H](Cc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)C(=O)N1 739814704 PBPUQDYZXAVPRU-AWEZNQCLSA-N 440.481 0.959 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742671774 YLXXHFGWFOXPAK-SJORKVTESA-N 435.594 0.894 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 748323594 NDDXMPZOJUCRFC-UHFFFAOYSA-N 449.558 0.986 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)c1 753657489 ILOYTHNVCWMIEF-MRXNPFEDSA-N 444.465 0.711 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(Br)c2)CC1 759792012 KUJGAEZCUDALBH-UHFFFAOYSA-N 444.351 0.904 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 761036048 ASBLJQFZZKUTQI-CQSZACIVSA-N 430.933 0.911 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1C#N 762946017 WCVHDHUPDGSGED-OLZOCXBDSA-N 444.469 0.894 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 769847630 XEJGHLYUZRUVPR-KRWDZBQOSA-N 427.438 0.850 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 773487684 IMJIQHRFWAQJEH-KGLIPLIRSA-N 440.464 0.785 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 774950206 MBMKTENSYWCKKO-YLFCFFPRSA-N 426.514 0.801 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)cc1 777173482 CPHSCRAYVOJOTM-ADSWHHSESA-N 445.505 0.503 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 779408194 DEJYWVWXBSNDSX-SILNSSARSA-N 443.551 0.512 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 789492600 STIANIMEUYZRDO-AWEZNQCLSA-N 438.400 0.123 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCC1 795392726 IGJRJMDLMOIIPY-UHFFFAOYSA-N 430.280 0.833 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1 802634300 ZHLSIPKDMWJEKG-CQHJRZBDSA-N 426.470 0.371 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)c1ccncc1 805808651 VZZVTAZXLSNIBI-ZWKOTPCHSA-N 438.550 0.714 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 806542932 CPNNBITWSJGONZ-NXVVXOECSA-N 425.442 0.724 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808238104 RWARQDMNPLKNTG-ZWKOTPCHSA-N 441.488 0.512 30 20 ICED COCCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 808331195 WBOSRMURNXIQAJ-QGZVFWFLSA-N 425.467 0.074 30 20 ICED N#C[C@@H]1C(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)=CC(=O)n2c1nc1ccccc12 809988004 UPHRPFGGHNXKHJ-OAHLLOKOSA-N 437.485 0.953 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278369 JIQYVGDEZQFSCO-UHFFFAOYSA-N 440.435 0.751 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1cc[nH]n1 813821829 ZOVPXTGEHXIPFU-ZDUSSCGKSA-N 441.510 0.014 30 20 ICED O=C(N[C@@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 816691954 CLZBKAHBYVMPCD-CQSZACIVSA-N 431.430 0.789 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(N)(=O)=O 818124899 NPJMLWMPNIQNMX-CQSZACIVSA-N 430.552 0.325 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C)c2)c1=O 839285686 FZNKMDHEGWFZPT-UHFFFAOYSA-N 428.562 0.111 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916176913 CIWMDOZNIYAKIF-UHFFFAOYSA-N 435.483 0.698 30 20 ICED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 917896830 JGCZLLQGHIHYDX-CQSZACIVSA-N 429.458 0.781 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N1CCCC1 919670327 OFQZHPIYBCFIMY-AWEZNQCLSA-N 428.536 0.597 30 20 ICED CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1313960543 JTKXLPMTQNCFJG-SFHVURJKSA-N 430.557 0.157 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1353656870 BAXVVEALENCMMJ-RHSMWYFYSA-N 430.486 0.906 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1359402122 OPKGDWIBHOMWQN-FQEVSTJZSA-N 441.511 0.901 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1ccccn1 1360713991 MCCJWSLBWGSAGC-GJZGRUSLSA-N 433.538 0.990 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 1626954054 KHBDIVBPNDVAFE-BQFCYCMXSA-N 434.562 0.951 30 20 ICED Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)c1C#N 1650979625 ZOFDTRZCEVWFFG-NSHDSACASA-N 431.312 0.841 30 20 ICED COCCN1C[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1=O 1730776463 LPAPVGHLEKMCJR-KRWDZBQOSA-N 429.525 0.749 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1760301332 YITMSMHUWVMSHQ-HZMBPMFUSA-N 435.348 0.499 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1769382314 QASCNLLSWHDAPF-RBSFLKMASA-N 426.543 0.475 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1771345171 BUZJCVBAYPEPRI-PXNSSMCTSA-N 431.518 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1778972854 XBVSOSFVFRNWAM-HRAATJIYSA-N 434.493 0.116 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1779014904 KORBQROCQNMIDG-YCBLCKBMSA-N 435.569 0.839 30 20 ICED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c2ccccc21 1780334255 IJANZORWOJWNKY-QHCPKHFHSA-N 448.483 0.683 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1780698345 DEYFENDHSJZPDG-JPYJTQIMSA-N 425.533 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1781263849 GKGWWMMDNOQBFK-AVRDEDQJSA-N 437.537 0.877 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1781270557 OQGDXKFDYMMKCX-HRAATJIYSA-N 431.493 0.616 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781302392 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30 20 ICED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839420352 DGFPSJPVIZGBRV-OAQYLSRUSA-N 443.435 0.702 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839422482 WWIKPCKXTYXCBV-FQEVSTJZSA-N 434.424 0.123 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839644634 KTNHCRYMIYIDBA-FDDCHVKYSA-N 444.532 0.734 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839681249 IUYWYOIUJXFCMZ-SPYBWZPUSA-N 432.539 0.959 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1839761421 IECCGYTZODBDTA-HXUWFJFHSA-N 430.461 0.300 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840143882 HOULRLSDCFJDBX-UIVXKWKOSA-N 426.535 0.517 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840246601 RXWIYICMKZFURO-XHEIITTRSA-N 447.891 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cc1ccco1)CCO2 1840467129 LRGXUASIVZGXCT-YRTIDYAOSA-N 445.516 0.773 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813437 ZRLPHYXZIRZMPL-NRFANRHFSA-N 429.477 0.639 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840900019 GOEBRECOXYDSFU-GAJHUEQPSA-N 440.500 0.565 30 20 ICED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841691604 DQVYLHPDEGBJEP-WMLDXEAASA-N 435.477 0.302 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842883953 GVHYUKTURNABPB-HNNXBMFYSA-N 434.541 0.370 30 20 ICED Cc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 11402214 QYWZDIIRVDHBMA-FQEVSTJZSA-N 435.502 0.981 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 409532608 CCIWJPZRUZIYSA-OAHLLOKOSA-N 430.552 0.274 30 20 ICED CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 427049653 QMMOEEMGMIQHCF-UHFFFAOYSA-N 447.521 0.877 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 430372421 RYPGVKBIYBIJOT-PXNSSMCTSA-N 446.523 0.797 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434997427 ZZPNSRIDQVACPP-ZFWWWQNUSA-N 438.506 0.709 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 460614252 MAZJCFSBAGNTBN-UHFFFAOYSA-N 445.483 1.447 30 20 ICED CC(C)C[C@](C)(CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 467285425 FTRXCDKSLQHARM-IQUTYRLHSA-N 426.485 0.472 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 475283603 JAQCEJHTMVVENG-UHFFFAOYSA-N 440.439 0.895 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 475408789 VCFQRKGIAZSGCX-BONVTDFDSA-N 427.280 0.977 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 490353968 PFPDYMKJNSMRJZ-OAHLLOKOSA-N 431.493 0.191 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)NC(=O)[C@H]3C1)CCCC2 492661856 TTYZDGFIJZAOBM-RDTXWAMCSA-N 440.504 0.592 30 20 ICED Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)n2c(nc3ccccc32)c1C#N 501218682 QHSGJIHSECBTCZ-MOPGFXCFSA-N 425.514 0.948 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505198002 MUKLAYFZAHFLDF-MRXNPFEDSA-N 441.469 0.607 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN([C@@H](C)C(=O)N4CCOCC4)CC3)CC2)o1 530283456 YMMIFSCXROWRES-INIZCTEOSA-N 444.536 0.463 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 530317694 AJSXWFCTEKTGRU-GFCCVEGCSA-N 449.891 0.686 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539449485 LUZUABRWOLGLJB-MOPGFXCFSA-N 437.541 0.548 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1=O 550379229 YNJCFDMDXXRBCZ-RTBURBONSA-N 432.496 0.561 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cnccc2C#N)CC1 553697464 WFZBSBHXWHHESN-CQSZACIVSA-N 431.522 0.319 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 557023847 TXRSZRXLTXKVRE-UHFFFAOYSA-N 430.549 0.780 30 20 ICED Cc1c(I)cn(CC(=O)NCCCN2CCCC2=O)c(=O)c1C#N 557528652 CRJWIRUQWIQWPR-UHFFFAOYSA-N 442.257 0.762 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 558175439 NPFQNCDDVJIRMB-GOSISDBHSA-N 444.532 0.259 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 564373734 ZWVRZSVPIPUCAK-LJQANCHMSA-N 448.535 0.850 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 564461445 ICNITVLZFUPSKT-UHFFFAOYSA-N 447.455 0.909 30 20 ICED Cc1cc(NC(=O)C2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)no1 565629161 ROJAJMXKCKANBC-UHFFFAOYSA-N 448.443 1.251 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)CCC(F)(F)F 571480164 BDCRQCUHQJZGBV-UHFFFAOYSA-N 426.443 0.992 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 579412583 UMBKCLLFJKZDKU-LJQANCHMSA-N 441.513 0.925 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604142398 LGFNJLSSJNVQLR-UHFFFAOYSA-N 436.472 0.964 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 604430930 TXRWJTCVOUZOTG-UHFFFAOYSA-N 437.504 0.159 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C#N)cc2F)c(F)c1 610081456 UKHLTKRQPMZFEQ-UHFFFAOYSA-N 426.426 0.965 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 731203804 XQXWYOIKHKOFND-UHFFFAOYSA-N 427.526 0.535 30 20 ICED CON(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 731888543 VVGNFPSRAMUMFG-BMRADRMJSA-N 442.881 0.778 30 20 ICED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732909433 BRCWXFXVJZTLSJ-NSHDSACASA-N 443.275 0.800 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 741210390 XRMUMHMRIOEZTB-UHFFFAOYSA-N 434.514 1.000 30 20 ICED Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741342377 OAQKVTXWNBIETF-MRCUWXFGSA-N 428.445 0.852 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 748814495 CNVYFJFIQNWVIW-GOSISDBHSA-N 435.569 0.117 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 759243415 SXAJMFXSEAGEBT-QBNAXSHUSA-N 441.440 0.862 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 764593440 DEVYQNGMRLPHKN-MRXNPFEDSA-N 435.550 0.286 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 768971964 KESLTMQXBXCKRR-SQQITKIUSA-N 429.524 0.394 30 20 ICED CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769210854 BBUNINOQJPQQEK-GOSISDBHSA-N 443.481 0.696 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 772300957 KBFZIWKQOBEYTG-UHFFFAOYSA-N 437.529 0.688 30 20 ICED CCN1CCN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)CC1 782906646 STRANSYVHYTVIU-UHFFFAOYSA-N 442.564 0.841 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 786999535 SQWSUEUFWKLBAM-IBGZPJMESA-N 428.489 0.431 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-c3nnnn3CC)c2)n1 789789035 YNONUXXPHODMHF-UHFFFAOYSA-N 436.476 0.803 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cc[nH]n1 789973256 FKAXMJLHGGYVAZ-LBPRGKRZSA-N 437.478 0.561 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)c1C#N 791172707 IMPLWLYPZNALRV-UOVKNHIHSA-N 445.273 0.977 30 20 ICED CCc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 793202123 VURAUMWFOLSLLT-UHFFFAOYSA-N 441.531 0.633 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(S(C)(=O)=O)CC1 793993980 MVPJICYFTTXPDR-CQSZACIVSA-N 427.548 0.833 30 20 ICED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CSc3nnc(CC#N)n3C)C2=O)c1 794470432 GSCSEUXTOVYIIX-SFHVURJKSA-N 429.462 0.480 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 802607696 BWUZJIADASNXNZ-PFOIOJFUSA-N 436.490 0.064 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802723522 KYDURNQWMNFADM-UHFFFAOYSA-N 444.520 0.522 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806838812 OEGCHNFPATVNGP-IAGOWNOFSA-N 448.483 0.517 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CCCO1 809309822 HJBPGEKAZUCQJK-SZMVWBNQSA-N 437.493 0.392 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 810463347 UANDAAMXUAHKTQ-JYMIEJHZSA-N 444.517 0.835 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2cccnc2)CC1 918123849 ABVBPEZKMQJWPB-UHFFFAOYSA-N 427.486 0.495 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116373871 PFQYMNOXDSYJIA-UHFFFAOYSA-N 429.473 0.605 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1286969671 QSLLYHNCWUQASN-VQHPVUNQSA-N 440.570 0.758 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2COCCO2)cc1 1302994180 JQJRKUCBFQXJEE-FUHWJXTLSA-N 426.477 0.846 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C1CCN(C)CC1 1319574004 VBBXIWJPGHIRJX-UHFFFAOYSA-N 430.505 0.573 30 20 ICED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1343443695 UJTUZUMOXFFAKH-QGZVFWFLSA-N 432.502 0.896 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1454610761 XHFXMOWNONQRDJ-UHFFFAOYSA-N 427.505 0.910 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1554481627 MTQXLXTWZGMWPT-UHFFFAOYSA-N 445.549 0.813 30 20 ICED N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1555993201 KOKJCJPYVIFGMC-MRXNPFEDSA-N 435.510 0.772 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585342881 ZIGSYKFTCDFOMV-INIZCTEOSA-N 445.907 0.762 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1611711446 OCWXZLTVODHVPL-QOKNQOGYSA-N 434.522 0.525 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(=O)nc1O 1628329323 MZQKNZOKMPDCCG-KRWDZBQOSA-N 430.440 0.332 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1728265147 JTYJJUHKZBBLAJ-UHFFFAOYSA-N 432.506 0.442 30 20 ICED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1750390204 WSAOXQFENPYXFX-LJQANCHMSA-N 436.538 0.080 30 20 ICED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1763499826 TZRYKIHEGFPVLB-XLIONFOSSA-N 431.518 0.982 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779557932 OZAZTJLZPCSUDD-WAOWUJCRSA-N 431.493 0.165 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1782010453 OXKWEQLHIRIMSS-VGOFRKELSA-N 425.441 0.397 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015280 IKAITHTZPAZODD-DYESRHJHSA-N 445.428 0.824 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1783056249 QDORDLVONHAHKX-HSZRJFAPSA-N 430.501 0.700 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783197302 HGBDIAUOLFZBTG-LJQANCHMSA-N 435.431 0.986 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)OC)C3)[C@H]2C1 1784075426 HIRLJNISTKOJQB-KDBRPITMSA-N 447.532 0.414 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4nc(C)sc4n3)C[C@@H]21 1784477723 LEEYCJLGVZFSQF-IKICRFKJSA-N 445.545 0.660 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(=O)c1ccco1 1785139478 RFEQCCFCYPBTLJ-RIUAQFLGSA-N 433.461 0.971 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1785574966 WDYYOWXWLVHRNK-YCRPNKLZSA-N 446.508 0.473 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1 1786369057 KSSRXPUGLYLQRB-IHPCNDPISA-N 442.516 0.985 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)c1ccccc1 1786808065 VMIFNEQLIGSBOA-YRPNKDGESA-N 425.533 0.646 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ccncc34)[C@H]2C1 1787337438 SIUSJLVVACQNON-MJBWGRTLSA-N 438.488 0.410 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1788637140 IYJHONVYFZGBJE-FHWLQOOXSA-N 429.521 0.347 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789092868 MQBBGEGTZFJKHS-YVSFHVDLSA-N 427.505 0.937 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 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443.566 0.530 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806287493 OMILZNOTTWCSFT-SIKLNZKXSA-N 448.520 0.697 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1808439492 SCCKIRMJVRKATG-FXAWDEMLSA-N 426.477 0.889 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1808691558 SGVZJIPGCQIHJY-LMMKCTJWSA-N 430.505 0.996 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324496 XJDHNCMSFABRHF-QWRGUYRKSA-N 441.473 0.138 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477452 AKHFMPRQOZVSQO-JXIIZDDMSA-N 429.481 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1829773749 SPNPBAVMYRYCQL-UTMRWKLTSA-N 429.876 0.226 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)c1 1829776506 TZUSRUFBLNHKEA-KRWDZBQOSA-N 449.475 0.559 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221442 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O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2)c1cccs1 1835854158 XCDMTVWOIUZWID-WUUFJKRQSA-N 446.485 0.686 30 20 ICED O=C(CCc1cncnc1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1836051755 GVQYTVBABUVZFE-YVABFXQFSA-N 441.488 0.578 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836573679 AZAFUVRZRUXHIZ-HTAPYJJXSA-N 428.489 0.995 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837444190 RGSKJKXHXJEUDE-XZEIMLRBSA-N 434.493 0.314 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837490858 DBRJLLCOLRNAIS-OXJNMPFZSA-N 426.460 0.797 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1837492870 YJAPXWBNHWNHPM-QFIPXVFZSA-N 430.505 0.107 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1838196365 BVQJAGLUDTTXPU-JOCHJYFZSA-N 438.488 0.731 30 20 ICED NC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838401344 RHJMONSCKZNATB-UHFFFAOYSA-N 434.537 0.352 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1838650565 BZDGHZFFZUFTEA-INIZCTEOSA-N 437.537 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)C)no1)CCO2 1838770625 RMZRARAIDQGLCY-QJKPHDSHSA-N 446.504 0.726 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1839174208 MPPVXTCWYZCZTQ-NRFANRHFSA-N 433.461 0.367 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839226838 FKSRUNLWHVCHMH-HRAATJIYSA-N 434.493 0.256 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452725 SNXKZUUSLQSKKA-GAJHUEQPSA-N 440.500 0.627 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618695 SQAGEOACBJXPAX-QFIPXVFZSA-N 426.448 0.957 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839888466 OSYWEFOSMYHIAM-SFHVURJKSA-N 426.420 0.767 30 20 ICED Cc1ccc(NCCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840042396 SIBRFSUQBZXLLM-QHCPKHFHSA-N 443.500 0.650 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(c5ccccc5)(C3)C4)C2)C1 1840044860 BNHRBGJSFIPRGO-KXTRFFEISA-N 438.480 0.653 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1840174275 SEXDNLQVBXMERE-FQEVSTJZSA-N 435.433 0.955 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840583319 HQRYNKJGUCPNLW-YCRNBWNJSA-N 437.581 0.889 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282787 HMEUGHJWTVGDTE-SFHVURJKSA-N 434.489 0.383 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)c(C#N)c1 1845138120 RHCQQRGCVRXGBF-UHFFFAOYSA-N 436.468 0.628 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)ccc1Br 1845458287 NKVTXZDYCYRVLK-HNNXBMFYSA-N 448.321 0.731 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845766286 MBQPXDFLAWSWQU-MRXNPFEDSA-N 445.520 0.916 30 20 ICED CC(C)CN1C(=O)C(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 16877363 XNWVQGCUSAEWCN-UHFFFAOYSA-N 433.490 0.269 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 409538677 TVWYRFVZRDAEBM-OAHLLOKOSA-N 437.522 0.789 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 410117464 SQEAEHSXAKBIRL-RTBURBONSA-N 439.516 0.799 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 410119403 DFJSNGHJHHMJCU-UHFFFAOYSA-N 444.579 0.677 30 20 ICED N#Cc1cccc(NC(=O)C2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 427012688 RWQRXHWHLRFRQC-KRWDZBQOSA-N 447.517 0.222 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)C1=O 440253404 HDUIEGIJDAFNCC-INIZCTEOSA-N 434.518 0.620 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 441960477 OIZVVRLLPWZGJF-OAHLLOKOSA-N 430.509 0.636 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 444404662 NHPLDYCRPCQQKC-OAHLLOKOSA-N 444.579 0.931 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C 480151736 IANZZXZHEUPFHA-UHFFFAOYSA-N 447.513 0.128 30 20 ICED CC[C@@H](C#N)NC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 484436231 VNUGHPSIDWJPHY-FUHWJXTLSA-N 436.534 0.880 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 484614479 CRHXBMVCJYCYOW-UHFFFAOYSA-N 425.507 0.743 30 20 ICED CN(C)S(=O)(=O)NCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 513128188 OQBUBFHBHXIGCR-UHFFFAOYSA-N 436.494 0.535 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@]12C(=O)Nc1ccccc12 513998311 AWUGSAOISCGEOS-UZUQRXQVSA-N 446.515 0.654 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 514084125 OQIICJNVYSFJKM-ZDUSSCGKSA-N 448.480 0.609 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1=O 515563395 DURXPMZKFQFHMN-UHFFFAOYSA-N 437.500 0.642 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 520883786 WJCQRZVESCUYQH-UHFFFAOYSA-N 441.553 0.925 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 540015583 NVFDUPIIHPWTCX-YLJYHZDGSA-N 434.518 0.912 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550442154 CHXOADKYYQNGHQ-CYBMUJFWSA-N 436.266 0.112 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)c(F)c1 554152092 WGFCQSNALWHFBX-HOTGVXAUSA-N 427.480 0.909 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 564505143 MTFRRBLUYGVLPO-UHFFFAOYSA-N 428.536 0.109 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(CN3CCCC3)c2)CC1 568659209 AFBZQKNUSKIPRV-UHFFFAOYSA-N 427.549 0.345 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)oc1C 591000159 LUXXZQYGLXYDNF-UHFFFAOYSA-N 443.481 0.295 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 604269924 JHKLRGHCVWWNDF-UHFFFAOYSA-N 430.505 0.412 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1 611616520 VVZWVBBWYXJCLK-UHFFFAOYSA-N 439.493 0.444 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 680447767 WVNOBOXTDJYIFR-OAHLLOKOSA-N 441.506 0.098 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H]2CCCO2)C1=O 726403770 NAOBFLZKBPZBMI-QARARTDJSA-N 440.547 0.449 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 728533511 LTMWTKZFVNJZFF-UHFFFAOYSA-N 432.937 0.906 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cc3ccc(OCC#N)cc3)CC2)CC1 732080117 WDUURZHWKUFXNQ-UHFFFAOYSA-N 427.549 0.828 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 733149955 ZYFYRYLVVUUEPX-UHFFFAOYSA-N 438.488 0.244 30 20 ICED Cc1nc(CN2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 742646024 DBFIEVRRPGNXKX-CYBMUJFWSA-N 432.506 0.540 30 20 ICED CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 744618252 SIIDKFGFINNADN-OAHLLOKOSA-N 437.474 0.958 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 751817435 GZAMCNSWZFFIER-UHFFFAOYSA-N 441.444 0.929 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 753715341 QZVWSESNYYVSLE-LBPRGKRZSA-N 435.462 0.669 30 20 ICED C#CCNC(=O)c1ccccc1NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 754300055 TVRFZJNSWBRBDP-IAGOWNOFSA-N 433.530 0.656 30 20 ICED CCOCCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 757635459 SVPAEKKWKUPBHE-CAPFRKAQSA-N 446.551 0.394 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1Cc1ccon1 765146166 SWNWLCOVFIAJBE-UHFFFAOYSA-N 427.511 0.770 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782478196 JHXWMCQVTCWDIH-WYOZQYPVSA-N 449.533 0.565 30 20 ICED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785210828 RUDPRFYDNIVKKG-ACIHENLCSA-N 437.522 0.278 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H](C)CO 786018081 CCGVPTYKOREZMN-KDKGISQFSA-N 440.522 0.028 30 20 ICED C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787935 RPTDLISEAALCTM-INIZCTEOSA-N 441.536 0.073 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCCF 800642961 OYDZAIULTYWEJS-AKVJFXEFSA-N 441.485 0.028 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800848885 JTVVNKQZHUJCSZ-UHFFFAOYSA-N 427.482 0.513 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 806878971 ZNFHPHNCHKTSMF-UHFFFAOYSA-N 438.481 0.003 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812252355 BDEVNTYMRAWMNO-HZPDHXFCSA-N 444.517 0.731 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)cc1 839223367 MFPQFPUSWPJOBB-UHFFFAOYSA-N 443.916 0.552 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 856619943 SCNHHVFPVKNMIW-JKSUJKDBSA-N 449.529 0.751 30 20 ICED COc1ccc(CC(=O)[C@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916867007 RGDPKUJMEAHKPN-INIZCTEOSA-N 435.502 0.590 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CC 920395855 MMBFJAQIPIDYAE-UHFFFAOYSA-N 442.453 0.414 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CCO1 1316541294 VYRIXZFGFHCJQY-AWEZNQCLSA-N 429.506 0.525 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1339047391 IKBSDENKOTYZRX-LJQANCHMSA-N 448.483 0.976 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1544630390 IMIFDCAQZCWARU-UHFFFAOYSA-N 438.506 0.184 30 20 ICED N#Cc1ccc(-c2cc(N3CCN(C(=O)C4CCN(S(N)(=O)=O)CC4)CC3)n[nH]2)cc1 1583848094 KNKZNONFOWVJCG-UHFFFAOYSA-N 443.533 0.512 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1710330433 WCDHNCHSVRWIBZ-UHFFFAOYSA-N 438.536 0.599 30 20 ICED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712470784 UGDYBQGKCIDNPQ-ZOCZFRKYSA-N 429.525 0.854 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1712711476 NTNVFCUPULMXBO-OAHLLOKOSA-N 427.490 0.771 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CCO1 1770752261 UQIOKNDLAICTQD-CQSZACIVSA-N 429.506 0.525 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)o1 1779063378 WSWGYSMPCSKYAF-QFIPXVFZSA-N 430.505 0.883 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779099610 JFSKHXZDDXIKBU-DRRDTLGUSA-N 433.509 0.630 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779104873 OZGGDIKGOAFUEE-DKQKECBASA-N 442.476 0.930 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779420524 VHQJARBOXABAPS-CVVGGEMDSA-N 434.497 0.472 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1 1779897221 BYXBVFMFXXUWDY-UAOQYHQXSA-N 433.465 0.458 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c1Cl 1780188056 MZCZYBZCQUXQGP-FQEVSTJZSA-N 445.863 0.207 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1783173518 WWWSOHKBYGMZPN-WOIUINJBSA-N 429.521 0.384 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21 1783530932 WRDYTVXMQWXXAL-IDAZEIDDSA-N 439.512 0.828 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3COc4ccccc4O3)[C@H]2C1 1784395184 NYZVETCJNKXATH-RCJHGTSTSA-N 428.441 0.284 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784461545 XGNKQZDXRIQXRD-JOCHJYFZSA-N 437.456 0.636 30 20 ICED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)ncn1 1785643614 OFVMNWPKMNFAEF-IYFOPHGASA-N 444.492 0.240 30 20 ICED CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c1F 1785792053 DROODIGMSKYTAK-DZKIICNBSA-N 434.516 0.986 30 20 ICED Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c1 1787115824 HVKIGFXDHIRILU-PTEVPQEZSA-N 433.509 0.700 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2ccc(C3(NC(=O)C#CC(=O)O)CCC3)cc2)CC1 1789216793 SGIQEJGUHZDJKQ-UHFFFAOYSA-N 426.473 0.373 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)c(C#N)c1 1789917950 PYPZHBGNSPLWFJ-VDGAXYAQSA-N 431.489 0.098 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)[C@H]2C1 1791036490 NZLWWKWPUCWWBU-WXJALIKYSA-N 447.532 0.624 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1791263649 IYRWBYYCKABIHM-UGUYLWEFSA-N 445.582 0.826 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1791476117 ABMCNSGEZGNGRT-WBAXXEDZSA-N 430.461 0.516 30 20 ICED CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1792101260 LQITUIBFLDSCJD-BZSNNMDCSA-N 427.457 0.070 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)COC3)C[C@@H]21 1792255631 RRPJGPXUOUPDAR-FJIDUMEYSA-N 449.548 0.919 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)NCc2ccccc2)c1 1792941476 PZJYKJHOQBVCEE-WRZYQVLGSA-N 447.495 0.962 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)cc1-n1nccn1)C2 1793344537 IIZFYOLFHNMDON-UGNRZPKXSA-N 437.500 0.817 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793364203 BTDHCBIIYGKSDK-CWPLJXCYSA-N 438.546 0.181 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1793364640 ZCVABUFLVZOQGS-HBCWATKFSA-N 435.477 0.807 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C[C@H]1CCOC1)NC(=O)OC(C)(C)C 1796449249 CKBIMRNOEPHKRO-QLCXLMDBSA-N 435.521 0.529 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1C[C@H]2C[C@H]2C1 1797638443 HMRANQRKEYGXGK-VGNZSDNGSA-N 438.528 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781383 ZJPNPNHNJPGMBX-MZNTUGIBSA-N 429.517 0.133 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1797968025 GWOVFHGHVVBBIT-WTLGNFPFSA-N 448.907 0.566 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1798396605 CKRBDYANKXZZAS-JYYAWHABSA-N 425.489 0.914 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)c(C(F)(F)F)n1 1799338748 IKFAEPBWOLDJPW-DRXBFXEBSA-N 442.394 0.184 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CN(C(=O)OC(C)(C)C)C2 1800126722 XJMGWENZUDBMJZ-ZSBFGKGUSA-N 443.504 0.507 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800283322 JIEHAENAFXUDPX-CWPLJXCYSA-N 430.461 0.540 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O 1800293360 XGZHBSTZLTUVTM-ORVPSHMPSA-N 441.528 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1ccccn1 1801366311 FOGWPENUMVQXMT-LJCCNALRSA-N 431.489 0.948 30 20 ICED C#CCCC(=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 1802021818 YPABKHORYGQFCX-STEXWYFWSA-N 449.548 0.607 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)C 1803383681 LNWIBDCQWHYPCN-PWIZWCRZSA-N 428.489 0.726 30 20 ICED C[C@@H](S)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 1804433283 TWYYTAVUBNBZQN-RGDJUOJXSA-N 428.555 0.712 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807615011 ZIKXGJDVSBQPTH-QFBILLFUSA-N 427.465 0.284 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1808454476 HFZFIAIBGXNPAQ-LXZJYRNTSA-N 430.505 0.320 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(CO)[nH]c3c2)[C@H]1c1cccnc1 1809113088 BAQJRDXMJGBZNS-KSFYIVLOSA-N 447.451 0.858 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)CC(=O)N3)[C@@H]1c1cccnc1 1809689721 PWCGYAFELILECA-AOMKIAJQSA-N 432.436 0.984 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)C1 1812872510 DOCVJEVTMFPJKJ-NVALYEJGSA-N 427.457 0.765 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1812879165 QFLQDOAMHDAUEG-YCRPNKLZSA-N 439.428 0.501 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890273 NUORQNMRDPTCHI-GOEBONIOSA-N 447.561 0.258 30 20 ICED C[C@@H](NC=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829225397 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1833435059 QFCBJOFREPWRBN-IERDGZPVSA-N 449.508 0.746 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1833475051 GJSKUNISTHRYBB-INIZCTEOSA-N 439.626 0.633 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1)C(F)(F)F 1835449759 RNJNTFVGFYOZQH-GOSISDBHSA-N 435.443 0.284 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778133 XXSXAEZITKTYNA-FYJGNVAPSA-N 438.550 0.315 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)n1 1835814583 QISYGGIHRNYUSM-UHFFFAOYSA-N 428.537 0.772 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170136 YGHVTSHPADJIHD-OAHLLOKOSA-N 428.537 0.938 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808661 NQQAPINGPVZSAZ-OXJNMPFZSA-N 433.534 0.982 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122376 HBJAWUPQAHPLLR-CVDCTZTESA-N 442.516 0.977 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1)C(F)(F)F 1837253586 MTKSYOBSMYZGMP-XDXAGZTOSA-N 431.411 0.396 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837443474 BTRAAAWBQTWMDY-ZZAWEDPDSA-N 446.552 0.524 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837445402 XEKIHLGVVNYOBS-GWJNGDFSSA-N 431.493 0.329 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837525616 NZYBNOAFZVXQIF-NVOGPPJNSA-N 439.484 0.864 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837527213 YQSLCYJXFATUDA-BWBSXDKCSA-N 439.509 0.541 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561347 HTJLFIROTYYSTO-IQTGRTGDSA-N 443.460 0.267 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837670750 PSHCWYDGZYSUDD-OXJNMPFZSA-N 427.567 0.667 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1837881984 AMACZUBJJHMPOY-KRWDZBQOSA-N 430.509 0.091 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(O)n1 1838669005 AHQDPHXDGRBJFB-QFIPXVFZSA-N 445.520 0.448 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739933 BMMOQUZEGZFMHW-JLTOFOAXSA-N 434.449 0.518 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c1 1839452059 DSEBRAXWUUYVIH-HSZRJFAPSA-N 442.516 0.709 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485989 GSCYPXMELNAIOP-UGKGYDQZSA-N 441.488 0.521 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811741 MFTIDNKRTFKQJI-VOLVWJTLSA-N 447.532 0.864 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1)C(F)(F)F 1839895288 UMISUEYGYAAZEG-QAPCUYQASA-N 435.443 0.866 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1840042769 OBTYEVZPSXXBKQ-NRFANRHFSA-N 445.859 0.979 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4cccnc4)cc3)C2)C1 1840043757 RVVAMFMRKYUMPE-XMMPIXPASA-N 449.463 0.907 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840293218 MXJQPWTXHSXQJK-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1840713261 JMPAVDRADXBMDF-BVZALQNUSA-N 440.500 0.662 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1840845299 SLCUXXMYPMDBEK-HSZRJFAPSA-N 427.501 0.595 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1841603263 JBALDGVPUCENEL-HYFFOGBASA-N 449.548 0.989 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1844235760 WJJIDCPUKJVWSH-CZUORRHYSA-N 430.505 0.769 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@H](C)NC(=O)c3cnccn3)C2)c1 1844333022 DISFSRHCNJBXSN-HNNXBMFYSA-N 448.483 0.992 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)C1 1844796565 NEUUCUFCAFDPQP-DOTOQJQBSA-N 443.504 0.931 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1847071613 KFDFWCJEVXRGBA-CQSZACIVSA-N 429.477 0.504 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848217346 KAZMMJOLUXYDHD-OQUILHJVSA-N 431.493 0.995 30 20 ICED Cc1cc(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 428795145 VYNRUOLJLLVKCB-IAGOWNOFSA-N 444.517 0.910 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432859829 PRVHBIITOYMTES-UHFFFAOYSA-N 443.323 0.678 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 437515125 LHGSMKRKCVLFRG-KPEUIFRASA-N 439.490 0.816 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 439932701 MVHCIDVXKKQAQJ-JHNDHUHGSA-N 449.485 0.362 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1=O 440281068 WYQYOFMWLFGVCZ-QGZVFWFLSA-N 448.545 0.928 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC(=O)NCc1ccccc1 441097373 OOXSRNMHTZVIIS-UHFFFAOYSA-N 431.456 1.161 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 446061891 MIKIXIISFUEEAP-UKRRQHHQSA-N 434.497 0.883 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)c1C#N 472011657 IXDSTLOOPQKUKV-UHFFFAOYSA-N 441.496 0.010 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(F)c1 472867671 CREGNPKYPFBQTO-UHFFFAOYSA-N 428.424 0.813 30 20 ICED COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O 474589504 LQNIRYRSJHNSIT-UHFFFAOYSA-N 444.473 0.599 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCOC1 479360980 PAMPPHLLLZATKR-AWEZNQCLSA-N 428.514 0.379 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 480526668 MJGIFTPTXZWKDB-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 480941070 XIABISAJIMJKJA-CQSZACIVSA-N 439.497 0.304 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)cn1C 481071575 NNHWNALYYJIZKA-UHFFFAOYSA-N 443.938 0.949 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481155288 KTZQZPAYRBGXCF-BFYDXBDKSA-N 436.534 0.615 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 486482605 AENSKHOPSJFKMW-VYJAJWGXSA-N 447.495 0.765 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)nn1 487515372 KMWXMXKVTCOZME-IRXDYDNUSA-N 437.460 0.694 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 490828487 XGUIYPWTAWYJDG-UHFFFAOYSA-N 436.472 0.951 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3C(=O)Cc4ccccc43)n2)cc1 492816489 HWFRMKDDLXLADR-UHFFFAOYSA-N 429.440 0.842 30 20 ICED CCCN(CC#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 510761808 IFHSDJPCLJWONC-UHFFFAOYSA-N 438.488 0.817 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)CC1 511118284 AJMRYJRHBSIRKF-UHFFFAOYSA-N 429.487 0.947 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 530893869 CUGQCEVFXODOQY-ZDUSSCGKSA-N 446.554 0.534 30 20 ICED Cn1c(NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c(C#N)c(=O)n(C)c1=O 535229271 KPTJPEFAFIZAEI-UHFFFAOYSA-N 435.481 0.750 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 539653841 GQAXUXUJAANNJK-UHFFFAOYSA-N 438.506 0.181 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCCS3(=O)=O)CC2)cc1 541318729 LAGZUDOUZMWHCB-QGZVFWFLSA-N 440.547 0.541 30 20 ICED COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(OC)c1 542888495 KHNNUKYCHFYKER-AWEZNQCLSA-N 429.433 0.647 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548617101 HIODBHWIONLTMA-OAHLLOKOSA-N 444.534 0.608 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O 552425434 UNCCTGUMHZBTJX-UHFFFAOYSA-N 432.864 0.991 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)cc1 553748634 AFHQHIBANWJURR-IEBWSBKVSA-N 445.545 0.915 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CC(C)(C)C#N 560309863 LKODETWRUIGECF-UHFFFAOYSA-N 438.506 0.663 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)n1 564111467 YCPUUYGXBNCPIX-RTBURBONSA-N 426.521 0.096 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 577139202 LRNCUDPTTAOSOE-ICSRJNTNSA-N 449.502 0.273 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c1 609514978 ANFPZKCGTHJXNJ-IBGZPJMESA-N 426.521 0.315 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCOC)CC2)cc1 610391720 JYFHUOBMUJLGCF-UHFFFAOYSA-N 438.550 0.780 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(N)nc(Nc3ccccc3CC)n2)C1=O 726042425 IOLUMEKOQSEHBZ-UHFFFAOYSA-N 439.432 0.780 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 728704561 ICXBUVIGDWJODB-NRFANRHFSA-N 430.428 0.986 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 729765992 ISZQXPCTMFYJAE-UHFFFAOYSA-N 427.435 0.174 30 20 ICED C[C@H](CC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744145735 CIHGOINMFRIVCC-GFCCVEGCSA-N 444.469 0.324 30 20 ICED C#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 744364459 BWDQZGVEWPOOPW-KRWDZBQOSA-N 431.514 0.791 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 749703940 MMKYUBBSEJQHLN-MRXNPFEDSA-N 431.493 0.213 30 20 ICED N#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 749876374 FDDQLKHTMJWMFA-HNNXBMFYSA-N 437.522 0.350 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc3c(C(N)=O)cnn23)c1 758004518 VSNRMUDPXKHTPU-LFVJCYFKSA-N 441.473 0.893 30 20 ICED C[C@H]1CC(=NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)NO1 760486692 MAVBLLWMKRESBA-ONGXEEELSA-N 436.412 0.856 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O 767675912 LVSYEQUIRFFAPY-CJNGLKHVSA-N 431.474 0.697 30 20 ICED COC(=O)COc1ccc(CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 774364696 VFQAPFOJCGUYMR-UHFFFAOYSA-N 431.470 0.936 30 20 ICED C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 775323410 DKJROMGXJMFFNE-OALUTQOASA-N 433.530 0.597 30 20 ICED C#CCN(C(=O)C(=O)Nc1c(C)cnn1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 783479530 CTDFXPUDLVKMME-MRXNPFEDSA-N 432.477 0.966 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)[C@@H]1CCS(=O)(=O)C1 783481253 VXOOHBOLZHYKKZ-QGZVFWFLSA-N 440.481 0.921 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)o1 796278055 ACZLTRCAJPYKEF-UHFFFAOYSA-N 429.477 0.695 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 799287222 PMLKINCDRMCGSO-HNNXBMFYSA-N 437.518 0.699 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)N[C@H](C)COC)ccc1F 914659505 WGCAEZKJHMFFSH-LLVKDONJSA-N 431.442 0.308 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCN(C)CC1 920397277 IEXKNXGNYOMMHM-UHFFFAOYSA-N 428.562 0.377 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 1170290530 NYZDCTXOQJOIJJ-PQUAAJSLSA-N 447.627 0.896 30 20 ICED COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1300330892 YVEUDPIXJDPIQA-AEFFLSMTSA-N 426.477 0.949 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318966687 VIBNFTADNVBVJE-MRXNPFEDSA-N 426.477 0.171 30 20 ICED CN(CCNS(C)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1340800116 BUPOVVFZAWXCLJ-HNNXBMFYSA-N 437.566 0.837 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1504888413 QKGLAWQBGQMZTH-LOKFHWFJSA-N 429.568 0.458 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl 1515068649 YIYAAEYCUBERPJ-LBPRGKRZSA-N 447.922 0.170 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541220142 XBBSDFVURVMKAB-UONOGXRCSA-N 440.526 0.434 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1692805335 UEGZITYKVVGLAK-GUYCJALGSA-N 432.506 0.696 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(C(N)=O)CCOCC3)CC2)c1C#N 1693406374 JXYSOFYJERKNEN-UHFFFAOYSA-N 427.513 0.109 30 20 ICED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1709336133 XGFDGQAAGQXMNU-XLIONFOSSA-N 431.518 0.982 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)cn1 1729570777 JYBLARJYGUTDSN-INIZCTEOSA-N 427.490 0.859 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 1742942902 IUMAEQYORXOZMB-QXSJWSMHSA-N 426.543 0.822 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CCO1 1750389111 WKHYHKYLUXPODV-HNNXBMFYSA-N 441.467 0.698 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1769349822 LQUGCEFPARWSQJ-INIZCTEOSA-N 443.533 0.713 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@H]1SC(=N)NC1=O 1778078417 TUGIPEZIVNESPM-VKUNOELRSA-N 432.546 0.716 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c2c1CCC2 1779100583 BLBYCSNSRJMGOO-BMUPIEFHSA-N 445.520 0.881 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207684 WDFUHUHYPVOWDN-LLQXBFRMSA-N 431.489 0.873 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1779424164 WKDNEVGGOTYPRG-QWZDUJMOSA-N 427.498 0.038 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779524749 CCWPJEZFIKVENA-XXZIPLLVSA-N 447.448 0.147 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060876 JNFKMPWMCKIQQJ-AOMKIAJQSA-N 441.488 0.106 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1ccnn1)C2 1780741004 HKMWEQOTKVHXBS-CSODHUTKSA-N 433.509 0.862 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1CCN(C)CC1 1781093606 PIMYFQKFURNFPN-RDPSFJRHSA-N 446.592 0.151 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CCN1 1782269358 HPKOWWQTCBKFEX-DNVFCKCGSA-N 445.560 0.725 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2)C(F)(F)F 1783202444 KMWYGBPGMCFJQT-INIZCTEOSA-N 448.423 0.400 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1783991439 YHGBTUNEOMNULR-FJIDUMEYSA-N 435.521 0.265 30 20 ICED C=CCO[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 1784502921 KPZHZRBOXJDGJN-KARBZBNUSA-N 438.550 0.360 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnc(OCF)cn1 1785687041 NBYZHRJHYVVQAM-QRXIDQMUSA-N 448.499 0.847 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658259 IFFCETJYHZWNFK-FRJWXJJESA-N 436.509 0.186 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788678721 MHVKFQIORKUEJH-PPKZOYOQSA-N 441.488 0.971 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678885 VHKKANFXPMNMIY-XGQSXTOZSA-N 433.509 0.386 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc[n+]([O-])c5)C[C@@H]43)c2c1 1790328561 DCFNDDIHSHRHOE-QRFRQXIXSA-N 446.467 0.975 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790667133 FMEDMBXJLCMOPK-JSSYZSAGSA-N 440.544 0.905 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791602287 WHIBBEYOVHPQKW-ULQDDVLXSA-N 430.509 0.117 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1793345335 TUHLPNQYVZMOGU-ZXFNITATSA-N 426.473 0.520 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1795602596 SSJNCWSVSCRQKS-GGXPGOJBSA-N 428.537 0.386 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)O 1795641375 POMWMLGHFNHPJP-DOHHPOSVSA-N 433.892 0.344 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnn2ccncc12 1797060079 KKKOWEFDFUANGU-KXJCPHRKSA-N 425.493 0.404 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785207 KGNRNHCWOANYLI-BBIADKPPSA-N 442.560 0.868 30 20 ICED CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nn1 1797838079 LAVGPUQZEKOSRN-IITUFWFWSA-N 428.493 0.948 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1 1798576254 JQRVSQVSLUVZOX-HGKCTWBKSA-N 428.445 0.222 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1800775756 FODUMKODGNAXRC-DBWKPXFBSA-N 429.454 0.022 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803543361 BGXRGLIAXCMOOS-TVTNDZMWSA-N 438.484 0.441 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]3c3cccnc3)(C1)C2 1812879157 BZINLIYTUFNNDW-JHLZSADMSA-N 425.441 0.519 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815769982 DJDCGZVOJSWXBN-MRVWCRGKSA-N 433.469 0.801 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)n1 1817859533 RABJNPKLMMCCBW-VIFPVBQESA-N 445.413 0.769 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1829630118 SCAPRJRASBZPGD-XMMPIXPASA-N 449.511 0.980 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c1 1829825435 HCCCRIWQRZAUAS-UGKGYDQZSA-N 425.441 0.955 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830675680 HZWCJZZEPMTZTR-YVSHKSEASA-N 440.500 0.619 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209149 SSXQJIVNRKIJQY-RCZVLFRGSA-N 437.540 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3C)C2)C1 1831387424 PJJCQAUGIPRMNT-XXBNENTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1831393056 UBPMESPGFNPSHM-UZUQRXQVSA-N 440.500 0.682 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1831393909 RDXKUWVVWZJEOP-VGSWGCGISA-N 433.480 0.732 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831424093 DFMXKZGAFNMBQV-YCRPNKLZSA-N 429.477 0.619 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831495812 NJINSAMWGVKUIA-DYESRHJHSA-N 435.546 0.810 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCC1=O 1832374937 DUAHWOZITAJVFP-QHCPKHFHSA-N 438.484 0.103 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NO4)C3)C2)CC1 1835338656 PFQHNQBNIQOOSN-XXBNENTESA-N 438.484 0.940 30 20 ICED COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835340610 BPNUHVCHHYFSLA-QFIPXVFZSA-N 428.489 0.783 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835362946 XRHBIIPNRKXEBB-ZQMYSKGWSA-N 438.484 0.657 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376712 FSTBNUUOCSTAME-XMMPIXPASA-N 447.576 0.627 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834213 ONIUUALEBRPQFN-SELNLUPBSA-N 446.548 0.501 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1836258384 DKZZUXWXPLEIDN-FQEVSTJZSA-N 440.548 0.336 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419058 PSYVHZUGCDTBHP-VBKZILBWSA-N 436.465 0.364 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837011210 OWIOXIUOLTUJPS-HRAATJIYSA-N 429.477 0.390 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1837223112 VRWZWRJMFIAXES-NQIIRXRSSA-N 432.477 0.544 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1837394951 LYCKBAPREQSHPH-YCRPNKLZSA-N 438.500 0.511 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837493603 MQTAEHVBTIVBPB-HSZRJFAPSA-N 444.532 0.497 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524349 GCROHAREWLNFLA-BWBSXDKCSA-N 438.525 0.066 30 20 ICED O=C(CC[C@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567406 JIEXUTIVAKKWGE-BAANAVDVSA-N 433.505 0.972 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1837657052 MSVCGIKNBYPZIF-JOCHJYFZSA-N 443.504 0.047 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838904833 XIXZLUGSTMERMM-KSEXMQBYSA-N 438.484 0.487 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1839453989 MYQRNUIWNQTTOW-VAWZGJIGSA-N 425.485 0.829 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cncnc5)C4)C3)c2c1 1839487432 IGNMFVSWNSIJJI-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnn1 1839709079 WHUWEJADDZPGAP-QAEKNQLUSA-N 430.465 0.008 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840879737 ZWNGKPMJOBVIFQ-XXBNENTESA-N 443.500 0.820 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673706 UGJDCWCVZACIBF-DOUQRPAJSA-N 440.460 0.436 30 20 ICED COc1ccc(OC)c(C(=O)CCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846197052 NYSCXNNIMQFOEO-UHFFFAOYSA-N 428.441 0.958 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847784622 KFPMCEHCKQHHIY-QISBPPNISA-N 430.527 0.045 30 20 ICED C#CCNC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NCC#C)cc2)cc1 18197903 CTLHQKICPLQWDM-UHFFFAOYSA-N 440.477 0.776 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 26193605 XOTPQOQCQIESLA-IRXDYDNUSA-N 435.550 0.858 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCS(=O)(=O)NCc2ccccc2)CC1 303882428 IBGISGKRTXJLFE-UHFFFAOYSA-N 425.555 0.973 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCO1 409528331 KJPHIKIKUKYBLE-CQSZACIVSA-N 434.927 0.115 30 20 ICED C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 428837353 DXRABZVOZGDPAV-UHFFFAOYSA-N 436.534 0.938 30 20 ICED C=CCN(C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O)[C@H](C)c1cccc(-n2cnnn2)c1 448349671 AHKMPIKHOJLAHI-FHLIZLRMSA-N 434.522 0.787 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCOC[C@H]2C#N)c(O)nc1=O 464796733 CENRWCKMBDUZSI-OAHLLOKOSA-N 448.524 0.851 30 20 ICED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465478895 ZTMNSRIPZSRDJA-CQSZACIVSA-N 444.517 0.892 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)c2)c1 470993906 DKVJQQGRQPYDAA-FOIQADDNSA-N 449.463 0.913 30 20 ICED N#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 471228969 ROKAEADPAKWHDK-ZDUSSCGKSA-N 428.898 0.524 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cn2)C[C@@H](C)O1 474573443 GNZFZRRPUVRGRD-OKILXGFUSA-N 442.451 0.785 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478758831 WEWFDHQJSGKQTI-OAHLLOKOSA-N 430.530 0.569 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(C)(C)CN(C)C)c1=O 505699240 GZWUQICXDLLHEW-UHFFFAOYSA-N 442.589 0.321 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 523574872 FPSSCNYGSFMEFG-UHFFFAOYSA-N 441.538 0.270 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CC(N)=O)c1=O 526037988 NXRKEVVFCXGVTL-UHFFFAOYSA-N 439.472 0.698 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CCCSC 536113003 MDBPGUPFPURXOQ-UHFFFAOYSA-N 448.526 0.829 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 539181552 NEIBZLONMJKEBZ-INIZCTEOSA-N 429.525 0.819 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 551065694 FYFZBCSFCNKBGN-MAUKXSAKSA-N 436.424 0.900 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 553871937 OCCXJLZQGZAKGA-UHFFFAOYSA-N 445.320 0.973 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1N1CCOCC1 554152046 UZQQIDUVKYSSMY-MMOPVJDHSA-N 443.523 0.961 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 555264948 ZEIDFUBOXPKFJG-HNNXBMFYSA-N 433.538 0.882 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)c1 568789250 FLSYADDVEJUESV-UHFFFAOYSA-N 430.490 0.569 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)n1 572753920 BKYIPCHOMRCNAF-SFHVURJKSA-N 433.472 0.309 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869073 WAMJDSWBSKDAFJ-LJQANCHMSA-N 447.499 0.223 30 20 ICED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 619716189 ZCEHPQJIIXMNJF-CYBMUJFWSA-N 429.882 0.705 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1C 726201426 VPDSJLSUXRCHIC-LJQANCHMSA-N 437.522 0.481 30 20 ICED CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730723753 LHKGIAZLHOAPHL-WLTRUERESA-N 441.517 0.879 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 732444612 PEWWCVNUIZGTNA-FOCLMDBBSA-N 441.897 0.444 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCCNc2ncccc2C#N)c1 732501935 HGQLOKOCSKYUFL-UHFFFAOYSA-N 433.490 0.801 30 20 ICED COC(=O)C1=C(C(=O)c2ccc(N3CCOCC3)cc2)[C@H](c2cn(C)nn2)NC(=S)N1 741653497 WZQSRKYLRYJGHT-INIZCTEOSA-N 442.501 0.481 30 20 ICED CS(=O)(=O)Cc1nc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cs1 741832386 QPGPMDGKQTXUPD-UHFFFAOYSA-N 429.501 0.581 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCCN(C(N)=O)C1 744990912 SEHLMYPGQOWGEP-AWEZNQCLSA-N 441.444 0.700 30 20 ICED C#CCNC(=O)C1CCN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CC1 747795586 BKECXJKJDPSROL-GOSISDBHSA-N 448.593 0.849 30 20 ICED COC(=O)C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 754517479 DDBKMMGDKJUNOA-KRWDZBQOSA-N 434.518 0.322 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 754943466 DDVXRVKQGWHDFW-UHFFFAOYSA-N 433.513 0.794 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NCCNc3ncccc3C#N)cccc21 755208075 OGRRLCBHAMPPJD-UHFFFAOYSA-N 428.474 0.442 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1C1CC1 755664680 NYNTWAIBTYGIDH-HNNXBMFYSA-N 446.554 0.818 30 20 ICED O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1F 756069257 YTCDMEQBDRYGJB-QZQOTICOSA-N 429.452 0.825 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccnn2C)c1=O 758051066 WKHADVDINYRRKN-UHFFFAOYSA-N 435.431 0.333 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H](C#N)C1 758751161 IUKZHWNXWPCOQD-HZPDHXFCSA-N 448.524 0.222 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 761024777 PJRIJPOGOCQHSH-JKSUJKDBSA-N 436.534 0.109 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 767677879 URROFTJCJBBHLL-AWEZNQCLSA-N 426.454 0.956 30 20 ICED C[C@H](CC(=O)OCc1nnnn1CC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 768739562 ZEDDTUHWSPNXPD-CYBMUJFWSA-N 448.505 0.660 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1CC1CC1 771556601 JSXFWCXSCSDTEL-HNNXBMFYSA-N 431.522 0.853 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 774198790 WRYZVSXPGCMWAO-UHFFFAOYSA-N 440.909 0.638 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@@H]3CCCO3)CC2)cc1 781514457 HVESXKATAKAZQN-INIZCTEOSA-N 441.531 0.584 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783479259 IGMPHXOUGDNTIO-GFCCVEGCSA-N 438.458 0.078 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 783479721 NEXPLZQDFZFNTI-MRXNPFEDSA-N 444.517 0.682 30 20 ICED COCCOC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 783542943 NBHJXKXNVBHRJN-UHFFFAOYSA-N 441.531 0.314 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c1=O 788783726 UTLIRDRXGOGNRL-SFHVURJKSA-N 425.489 0.234 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797412592 SKUZULQZBLALNZ-UHFFFAOYSA-N 447.520 0.765 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798742800 UNIJBNRIUNVFKK-WDEREUQCSA-N 429.389 0.854 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1cnc2n1CCC2)/N=C1/NS(=O)(=O)c2ccccc21 802210948 SFROTLFCLONSHD-LLVKDONJSA-N 437.503 0.152 30 20 ICED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808038088 NWHMYQZALYCTPL-SJORKVTESA-N 442.520 0.975 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1 813983664 BGIFTRUZEVKDTA-UHFFFAOYSA-N 443.485 0.713 30 20 ICED C#CCN(C)CCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 815082801 GBCYGVZPKWXNGL-UHFFFAOYSA-N 429.564 0.249 30 20 ICED NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 825360766 YJUWOHLVMYUIHB-AWEZNQCLSA-N 443.485 0.509 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915445108 VUEUCLCYKMSMKR-ZDUSSCGKSA-N 440.474 0.538 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O 916937977 IKHKXCFGCOMFQX-NSHDSACASA-N 446.826 0.964 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@H]1CCOC1 1116377672 MGYLMWDKSXZYND-OAHLLOKOSA-N 443.500 0.899 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cc1 1155184890 QEBXWXKNIUXJJZ-GFCCVEGCSA-N 442.423 0.869 30 20 ICED COCC(COC)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1171121103 UTHTYFIMJRJOHB-JOCHJYFZSA-N 447.555 0.814 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1299315415 QBFQJCMXUQECEP-QAPCUYQASA-N 436.469 0.782 30 20 ICED CC(C)(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 1342578621 GUCPPKCZOJMUAC-GFCCVEGCSA-N 426.520 0.636 30 20 ICED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508688360 HIZOJEXXNYTNSD-HOTGVXAUSA-N 449.581 0.619 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1541703661 VPYXWXMYLJPBNO-NRFANRHFSA-N 425.493 0.955 30 20 ICED COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1554565839 OXMZWZUZSBSINJ-NRFANRHFSA-N 442.476 0.769 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)[nH]c21 1644168681 ZDTYGIOPEMAXJQ-UHFFFAOYSA-N 435.488 0.947 30 20 ICED CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1649602719 NUMYJZWDOJQSLE-LSDHHAIUSA-N 426.543 0.824 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1706866876 MAKXRJUQOSNCIZ-DEYYWGMASA-N 426.543 0.558 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1712453486 PHXJLYJZJLSXLI-UHFFFAOYSA-N 434.522 0.646 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1748299069 WUURESUJEZDZEF-UHFFFAOYSA-N 447.565 0.808 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1778971898 NXEIJJUQDNRCQE-WZONZLPQSA-N 427.501 0.947 30 20 ICED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779017181 DBQKXIBIMOVQRO-SGCYSOCQSA-N 443.504 0.783 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779177942 VZBMAOTWRHUPEJ-YWZLYKJASA-N 433.534 0.344 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)[C@H]1SC(=N)NC1=O 1780333901 AUCILLIRIGSIGH-GEDNVKPRSA-N 430.490 0.132 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1780735022 CMOVEZOELGFCMY-VGOFRKELSA-N 448.520 0.618 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H]3CCC(=O)NC3)CCO4)c2c1 1782195332 YNODGGAAFGKMEJ-IVZQSRNASA-N 436.472 0.404 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1783055194 QQZSJXWVGJURLK-DQEYMECFSA-N 448.523 0.863 30 20 ICED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(C#N)CCC3)C2)c(=O)nc1O 1783129680 WMIHOYRHGCGOAP-OPAMFIHVSA-N 443.504 0.465 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783398611 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20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1 1796139638 KUWYZYQFBVEBMO-CWPLJXCYSA-N 438.440 0.890 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1C 1798758038 LWGFBPVUMVFYHQ-CWPLJXCYSA-N 430.505 0.331 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)nn1C 1798761960 YDQHBRYBZVZZCY-VPTLXERWSA-N 439.472 0.583 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799041480 UFBGWIHWVCYXOJ-MUJYYYPQSA-N 434.456 0.778 30 20 ICED O=C(/C=N/N1CCCCC1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799359234 RAMGPCSVFQNZDA-KZEIKDLUSA-N 427.343 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801269165 SMIVLPLGHACQJK-MFCZKXCZSA-N 430.505 0.614 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)CC1 1805954240 RXAMTBYTBLLHEO-IAGOWNOFSA-N 427.567 0.584 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 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CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831498847 PUUNCYPSWFBPOM-UTKZUKDTSA-N 435.546 0.810 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1832769568 OPDXULJYBXRLPB-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833108101 GLQVOYDSSYEFIW-UHFFFAOYSA-N 425.533 0.808 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2)C(F)(F)F 1833390075 KPNNTVYTEURHNO-SFHVURJKSA-N 444.410 0.575 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c(O)n1 1833698299 DIAQHWUIZDHXCD-WMZHIEFXSA-N 442.516 0.504 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833814220 YIJJILUNOLMXHG-WWCXEQRYSA-N 447.492 0.384 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1ccccc1=O 1835100123 AXTWNTGBHHZBLU-NBGIEHNGSA-N 449.507 0.917 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192523 KUXQXEZZLCZJAO-QHCPKHFHSA-N 434.533 0.568 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835667306 BOPTZNCUDQZIQY-JOCHJYFZSA-N 430.505 0.393 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220131 BZDYZKOYVWSRQN-LDEZXBAHSA-N 425.482 0.151 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4occc34)CCO2)C1 1836288814 NQMVIIBNYXNEQY-KSFYIVLOSA-N 427.457 0.936 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)CC1 1837635110 HIERXYFCUFBTKR-UHFFFAOYSA-N 440.566 0.570 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837955322 MLIOMUOZEBLVRO-AVRDEDQJSA-N 433.505 0.733 30 20 ICED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1838002488 HXUZQURRGQIOQC-NRFANRHFSA-N 433.509 0.643 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838062882 NTUJOKXNIIMDGG-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838326448 AEPHHWVSECGGGS-KSFYIVLOSA-N 443.504 0.414 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838393096 JZBPGOHGEJKSCH-OVMHBRBDSA-N 435.569 0.180 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1838516266 CAECJHMXXRNPGT-QFIPXVFZSA-N 447.536 0.513 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)ccc1F 1839186404 QSUMBYMEWJDCSX-QFIPXVFZSA-N 441.463 0.593 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361769 CNNSAYJLMGWIKD-XMSQKQJNSA-N 443.504 0.270 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1840042688 IPJNXWOFMKYRSN-QFIPXVFZSA-N 439.424 0.098 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044895 FTXKDHPPUMUJMO-KSFYIVLOSA-N 425.441 0.472 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)s1 1840163429 SXIAITQEISXMKC-DJJJIMSYSA-N 442.559 0.852 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840293431 BPEIIQZYVLOQIM-GCJKJVERSA-N 429.521 0.927 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C)=C/c3cccnc3)CCO2)C1 1840411961 KRXMTOQGJSZSFD-HTOVHUFLSA-N 427.501 0.980 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840605907 FKPUUJHSKJGYDK-CETSDDCJSA-N 439.512 0.840 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840957365 XAVXVOQWCOTEPS-NRFANRHFSA-N 435.521 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1841054540 MHLNUUCQCYXPMO-FPLPWBNLSA-N 432.521 0.915 30 20 ICED COc1ccc([C@@H](C/N=C(/N)NCCCN2CCOCC2)N2CCOCC2)cc1OC 303781971 MUGGKHUAKSYVSQ-LJQANCHMSA-N 435.569 0.704 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CCC1 430983996 ASLAARSJKXJBEX-UHFFFAOYSA-N 438.509 0.781 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(=O)(=O)CC)C2)cc1 439238808 YEZWGXOARCOHCB-UHFFFAOYSA-N 430.552 0.896 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 439941747 YTRSSNLGGRBGEL-PAZMTAOXSA-N 449.485 0.177 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2OC(F)F)c(=O)n1C 440394368 ZGVPCYMHPKAXNI-UHFFFAOYSA-N 437.468 0.931 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)c1 441828052 XHIGBNIPXFDGGI-CYBMUJFWSA-N 443.485 0.857 30 20 ICED Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442416552 HLSYYUIXKIAKAO-GOSISDBHSA-N 448.487 1.087 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cn2)C[C@H](C)O1 446432075 FKTAWZJLZABQNR-HOTGVXAUSA-N 442.476 0.993 30 20 ICED CCc1nc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)no1 471237392 BDKIACITHLQFTJ-UHFFFAOYSA-N 428.497 0.267 30 20 ICED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 477451471 BCVYLKLZPAVNPB-AWEZNQCLSA-N 432.554 0.623 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCOC1 478849059 BLJLAVCQBHCCSF-OAHLLOKOSA-N 429.546 0.753 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)nc1 480953404 MZMYCUWWRKOZEA-UHFFFAOYSA-N 437.481 0.011 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 490464434 KFBGHTAQIFUFQR-UHFFFAOYSA-N 436.490 0.417 30 20 ICED N#Cc1ccc(N2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 497490514 UEVYYSOYEUVFDH-UHFFFAOYSA-N 442.545 0.472 30 20 ICED CC[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)NS(=O)(=O)c1ccc(C#N)nc1 507447963 JIVBWETZBASXDK-CYBMUJFWSA-N 434.503 0.645 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 510797572 NMVMFWIPACCMGO-BBWFWOEESA-N 439.607 0.907 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc3c2OCO3)c1=O 515698941 CLGNGENYCJUANY-UHFFFAOYSA-N 441.509 0.870 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 517393283 LSECSJIDUNUDQC-UHFFFAOYSA-N 449.479 0.586 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1C 521861274 JJMYJAFEZSWGCD-OAHLLOKOSA-N 434.497 0.803 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 531841183 ONQRARDPQXRZBG-AWEZNQCLSA-N 442.563 0.849 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 532860855 IDTJTTDQKCQWOF-UHFFFAOYSA-N 429.289 0.990 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 533300036 XJDCSNUHRRYPTN-IBGZPJMESA-N 426.498 0.946 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 533515212 MTJDXWFBDQMQFA-UHFFFAOYSA-N 446.577 0.547 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O 542293640 BILJOSOTBFPHFD-UHFFFAOYSA-N 436.424 0.934 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@H]2CCCO2)c1 549881022 CCBXKZWGXGIOQH-GOSISDBHSA-N 448.491 0.331 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 553869297 KXRDVRDTDKBZKX-SNVBAGLBSA-N 437.341 0.515 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 555270766 LBCCNLDJMXXQBX-LSDHHAIUSA-N 446.599 0.469 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 555802439 DAJOTKKEPLUWEC-LJQANCHMSA-N 442.495 0.211 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 556604922 OJIDIKRWGRILMI-UHFFFAOYSA-N 432.458 0.690 30 20 ICED CNc1nccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] 557490115 NYKPYNZDSHXZFI-UHFFFAOYSA-N 430.446 1.050 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3N3CCOCC3)CC2)n1 559867475 IFWRYRXCDJPEOJ-UHFFFAOYSA-N 434.500 0.755 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C1CCN(C)CC1 567333877 VGZLBLBBYZIQKR-UHFFFAOYSA-N 426.542 0.743 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 571027644 ATACNTLJQTWGNB-UHFFFAOYSA-N 449.537 0.730 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)nc1 588159660 AXKWIIXEGUJRTI-QGZVFWFLSA-N 447.499 0.096 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 604148185 OXFFUKQSTKUZSX-UHFFFAOYSA-N 448.483 0.056 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 606027466 VGWVOJIBKIYTOR-UHFFFAOYSA-N 442.520 0.699 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 609486251 GSFJVPCNYIQDGZ-OAQYLSRUSA-N 447.605 0.826 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492477 PZKSOBUOCURECL-UHFFFAOYSA-N 446.460 0.775 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H](C)COC)C1=O 726404266 VCQCYMYZDAOXKC-CMGHYVMUSA-N 442.563 0.553 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 743887649 ODSPZPHHQVESCC-UHFFFAOYSA-N 430.436 0.069 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cn1 746384870 QHSIXTFUGWGNCK-GOSISDBHSA-N 436.520 0.801 30 20 ICED C#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 748376871 QQINRYIBNMHAFQ-UHFFFAOYSA-N 434.518 0.770 30 20 ICED C[C@H](ON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749792366 NLUWDDXUQLILNQ-MAUKXSAKSA-N 438.550 0.190 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758060025 XAQIENRGXXEQOO-ZDUSSCGKSA-N 447.463 0.799 30 20 ICED C[C@@H]1CC(=NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)NO1 760486690 MAVBLLWMKRESBA-MWLCHTKSSA-N 436.412 0.856 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 762435125 ANBPSXYKAXDMMX-RYUDHWBXSA-N 428.287 0.482 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 763425129 FOLWYCDCMUXBJA-ZWKOTPCHSA-N 434.456 0.987 30 20 ICED C=CCNc1ncc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)s1 770108632 YLRQOVFGHXKMMF-UHFFFAOYSA-N 442.505 0.923 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 772300402 FPDCFDMHNCMPNM-UHFFFAOYSA-N 448.508 0.324 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)cn1 772310562 AQWRMHBHHVWGJH-UHFFFAOYSA-N 425.495 0.448 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777457354 QVHBDNCTRFMKEX-OAHLLOKOSA-N 440.547 0.654 30 20 ICED CCN1CCN(c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)CC1 787497980 CODHFGGCEXAIJB-UHFFFAOYSA-N 436.520 0.335 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOCC 799938223 RIBKPBBNGBHHFO-UHFFFAOYSA-N 431.489 0.899 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 886570216 DORAFAHIZUJYJL-UHIISALHSA-N 447.897 0.311 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1 915615767 YAJWQDBARLPXES-UHFFFAOYSA-N 440.525 0.655 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)C1=O 918592873 HMTWKMAZYOQAHX-UHFFFAOYSA-N 427.442 0.762 30 20 ICED C=CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 919989568 NIIGRRGWOGFVQX-AWEZNQCLSA-N 425.532 0.707 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1299303061 PDVCUGCLKPSHEP-UHFFFAOYSA-N 433.538 0.574 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)C1 1312470323 OKUWUHGIBLCFRU-SJORKVTESA-N 437.541 0.926 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1557981053 MTAUQEOZGWMULZ-KRWDZBQOSA-N 440.953 0.931 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1613569550 LMYUMSYCKTZSDD-SFHVURJKSA-N 425.559 0.876 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cn1 1693102298 NLUZLOVCFONWDK-DLBZAZTESA-N 447.521 0.092 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1696032084 WZTBLISOQRJHHM-HNAYVOBHSA-N 441.554 0.466 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CCO1 1711364548 YUXNIHWQOYHLSN-KRWDZBQOSA-N 439.520 0.930 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1724011096 WFPUYLANHOOQAJ-INIZCTEOSA-N 449.581 0.812 30 20 ICED C[C@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1743368148 UEXGBXWNKKHLQU-JKSUJKDBSA-N 445.549 0.719 30 20 ICED CCN1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1746435582 MPWMGWCEGGDFMI-HKUYNNGSSA-N 449.625 0.946 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1749831052 UQLAXQLFIYRUTD-JKSUJKDBSA-N 442.542 0.014 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778090731 DPCLAQBMSSMPLM-WIYYLYMNSA-N 439.578 0.729 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1778830886 MQHWISXCSFQFLW-VMXOYPLMSA-N 438.484 0.845 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)n1 1778843339 BNNDRHUNOSNWNS-OAQYLSRUSA-N 442.907 0.855 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1778971573 QPNYDAJWJIDCDM-VGOFRKELSA-N 431.489 0.885 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783661078 BZJWYNSBOGJEPS-QFIPXVFZSA-N 442.553 0.869 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783884874 FIWSBBKUNYDYDR-LHSJRXKWSA-N 431.514 0.821 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503727 OVICVQPTUWHPBU-MLJDEWIJSA-N 430.457 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](OC(C)=O)C(C)C)[C@H]2C1 1788476111 YUEJHZCRQGLRIU-KFBXTKPPSA-N 435.521 0.412 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788529861 PUEOBCZZSDQEBP-IHRRRGAJSA-N 448.442 0.353 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n(CC)n3)[C@H]2C1 1788997669 KCQKNQVYDNQMIT-SAWCTPMISA-N 429.521 0.663 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839862 PBDHAUUOUHGMCF-SNRMKQJTSA-N 428.489 0.225 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]3C2)c(C#N)c1 1790868277 MSTWJFMOVIAHIJ-KAKWUFLPSA-N 442.516 0.614 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422997 LWVJUIFFOWJNNW-JHDGKUDLSA-N 426.517 0.949 30 20 ICED COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1792712644 FORRNMCLBQCRMK-HNJRGHQBSA-N 444.532 0.600 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793404422 ZAXFZXAJCSNMQW-CCWDJLKJSA-N 425.441 0.083 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)c(=O)[nH]c1C 1794309876 XVWBXLMFAIXPOT-JEVJTMDRSA-N 427.461 0.302 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(C)n1 1794938011 MFQXQZKHDIJJET-QKPAOTATSA-N 430.509 0.984 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796458040 PEZKUHSOMVIFHP-XJTZBENFSA-N 438.488 0.505 30 20 ICED CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1797607117 JZBUNXJWSMEFNH-GYYSWGFYSA-N 447.557 0.858 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798376413 CQUKVDSIUVUWJE-XGUBFFRZSA-N 431.493 0.417 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751891 GNRZGJWIDLSIIU-QXGSTGNESA-N 448.907 0.566 30 20 ICED COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1800964732 PCSKHJDROFESDU-FKSLSLAPSA-N 448.564 0.837 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2)C(=O)C(=O)O 1801333110 AQZBNXZAFHLJAM-MUJYYYPQSA-N 428.445 0.118 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1NC(C)=O 1801779311 YLFHLPZNFHZVEC-JABISNGYSA-N 440.500 0.707 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1802685105 SAYFHMRLWFLIGO-MJGOQNOKSA-N 447.561 0.368 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806903968 MOMAXVHDFZGHRR-FPOVZHCZSA-N 442.564 0.701 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695226 JREXQKUGYIPQKK-BPBCIEFSSA-N 440.544 0.509 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1808440687 NJVMRENXJSIPGN-ZWOKBUDYSA-N 445.520 0.190 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1810248096 ANCXBBPDNQDWAB-RZUBCFFCSA-N 443.592 0.908 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)CCC1 1814050849 ANCWXECLCDFFBR-GBESFXJTSA-N 427.505 0.432 30 20 ICED CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773925 CJRBQEADCJHZGI-NNLQFVHNSA-N 427.552 0.571 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026740 OBZXWCZYXCLOSS-DOTOQJQBSA-N 438.529 0.489 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1823078209 HMWIFIBZWJFXCV-FOGDFJRCSA-N 436.494 0.454 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1823521249 NMSRBKNORYOJIP-SQWLQELKSA-N 447.540 0.604 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C1CC1 1830065844 JIBCDCXDGYTCOI-NRFANRHFSA-N 436.509 0.756 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831262551 GZTUAOZZTRZPTQ-XERREHJYSA-N 433.530 0.954 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1831388534 URMHAHCIAGLCDV-UZUQRXQVSA-N 446.500 0.438 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831392384 LHWZQATZTAOUAK-ZHRRBRCNSA-N 444.488 0.148 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831433672 XVFNXYURZHIVAM-KSFYIVLOSA-N 449.504 0.760 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831438420 QTJIKCCCHAGWCR-KNQAVFIVSA-N 434.537 0.938 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831831778 DVPHMBBZCAXFRZ-YQNSVDCASA-N 429.521 0.932 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832408277 YOLSBJOZKLVIPH-AUSIDOKSSA-N 435.565 0.602 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832468813 RQVVDVWFIMDWFO-GBXCKJPGSA-N 438.528 0.803 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832664771 YZIBKPGBRQNWLA-OAQYLSRUSA-N 434.445 0.428 30 20 ICED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833521822 WLYQLLOHLDZTNM-MXJLDLDKSA-N 434.585 0.541 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834235548 PMCLCXMWBVXGNZ-JOCHJYFZSA-N 441.463 0.744 30 20 ICED Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834367281 QUPGWLOCRJUSLW-DUGKDEJRSA-N 436.465 0.582 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1834775086 PESIMULZMYVNLW-DORXLWPQSA-N 427.457 0.748 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835043974 LZRVWBDSBUYCJZ-ZDUSSCGKSA-N 432.550 0.938 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100289 KVXXWSGPJKLPDQ-NTKDMRAZSA-N 449.511 0.785 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835645537 KWQCDBMFARADBO-KRWDZBQOSA-N 446.495 0.834 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1C[C@@H]2C[C@H]2C1 1835677866 PBMHEPWYKYWKCC-XQQXVUDOSA-N 447.580 0.065 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CC2)CC1 1836622165 HXNDTIXMCDAMCT-VGSWGCGISA-N 441.528 0.798 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837526154 BUEDMKALDVRWGN-ZISMNVMJSA-N 449.460 0.239 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c(O)n1 1837564449 PQQCEDNDPJRTPQ-NYNQOQISSA-N 442.472 0.878 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1837648391 HNYNALNKZVZAIL-QAPCUYQASA-N 427.452 0.582 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1838733123 NZUJPULZHNYVLI-HXUWFJFHSA-N 433.534 0.005 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838737568 ZOWPFNRDJMDKFZ-NRFANRHFSA-N 435.444 0.313 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839116455 FUDOFSOUVHOKHO-AUSIDOKSSA-N 433.549 0.500 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1839176575 VZAQKHDBQYZMLJ-CQSHLORDSA-N 436.530 0.827 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839225662 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BMKVJUYJRMPCLW-UHFFFAOYSA-N 425.470 0.700 30 20 ICED CN(CC(=O)NC[C@@]1(N2CCOCC2)CCSC1)S(=O)(=O)c1ccc(C#N)cc1 31936817 TWRNEOMRSNXDLS-IBGZPJMESA-N 438.575 0.503 30 20 ICED N#C[C@@H]1CN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C[C@@]12C(=O)Nc1ccccc12 429225802 HRCICKASODLASV-VERVWZFWSA-N 445.439 1.254 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 432508878 GXYFWXAYNZRRFG-IBGZPJMESA-N 449.577 0.989 30 20 ICED COCCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 444751698 QCOKBNOSIQSOQP-GOSISDBHSA-N 436.534 0.128 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 480306654 LERJYIOJPYWRHI-ZDUSSCGKSA-N 441.469 0.916 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 498108262 XWGSBAWPZYWJRN-UHFFFAOYSA-N 425.555 0.919 30 20 ICED C[C@H](O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C1 501951982 YJPCCWKEQRWHJN-SJORKVTESA-N 442.520 0.842 30 20 ICED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508798907 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CRAFXGFPRNIKJQ-INIZCTEOSA-N 425.468 0.625 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(NS(=O)(=O)N(CC)C[C@H](C)C#N)CCC1 560015084 BOSUWTLSAWHPCI-JKSUJKDBSA-N 448.615 0.541 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCC1 588244926 LBZMRVIEPBMKDS-UHFFFAOYSA-N 442.520 0.837 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588823385 VBUYGPQDALYDFJ-OALUTQOASA-N 449.515 0.294 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)N(C)C 604269788 BYLOJPFMPIQXPX-UHFFFAOYSA-N 428.470 0.634 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 609037989 ADSGOOVWWIKQSR-UHFFFAOYSA-N 447.520 0.304 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955640 KIULBOWNKBREMZ-UHFFFAOYSA-N 436.493 0.703 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 611409193 BNSLFLGIOAIGDD-NRFANRHFSA-N 433.528 0.161 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C3OCCO3)C2)CC1 726376278 PUHZYOMEGFOCLY-SFHVURJKSA-N 448.545 0.476 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1C 727006153 JPZDFQSDHBVGPN-SHYRYGCCSA-N 439.538 0.869 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 730281716 TVMQEFPTPBWTTJ-SFHVURJKSA-N 433.530 0.778 30 20 ICED COc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)cc1 732440061 XCRZMOLABULDOU-HMDOMZECSA-N 443.504 0.894 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H]3CCCC[C@@H]3C)n(CCOC)c2=O)cn1 732560928 CMDWQCHWQISGAV-YJBOKZPZSA-N 443.573 0.971 30 20 ICED Cn1cc(N2CC[C@H](OC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2=O)cn1 733832211 XPWKAOGHOJNZCB-IRXDYDNUSA-N 436.428 0.845 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(OCCN2CCOCC2)c1 733892725 UADNLYLVJSJCMK-QURGRASLSA-N 428.489 0.930 30 20 ICED CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 739134775 CCGMMWGUKHTAJQ-AFDUHFSSSA-N 442.563 0.668 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 741008517 YROQZMAKLWLWQD-KRWDZBQOSA-N 436.534 0.605 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)C1 741181860 KRZSPRIQWKFBFK-UHFFFAOYSA-N 428.493 0.681 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742715828 YAERKBLBMUVAEH-UKRRQHHQSA-N 444.517 0.549 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 746363258 PJZIKMGQNUUUTP-UHFFFAOYSA-N 442.910 0.593 30 20 ICED CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749753330 XPICOMKDRMRZOQ-IKBYJFNHSA-N 442.563 0.668 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1 752335558 WXIXODBFLSAMBU-CQSZACIVSA-N 429.462 0.893 30 20 ICED Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 754379651 MXYQNMOBFVIREJ-CYBMUJFWSA-N 442.476 0.526 30 20 ICED CCc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754523260 FADXSUDSLSDUIN-UHFFFAOYSA-N 441.469 0.326 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 755552941 PZRBMYSKWOZDML-DOMZBBRYSA-N 426.437 0.476 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 756846177 ZSPPMFIYPPAXCE-ZFWWWQNUSA-N 435.485 0.526 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCCn3ncc(C#N)c3N)CC2)cc1 764767137 WCMRQOUTEJVWCT-UHFFFAOYSA-N 432.506 0.195 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)cn1C 767095830 FZNZPINBTUQAMT-UHFFFAOYSA-N 441.517 0.469 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CCCN3CCOCC3)CC2)c1=O 779877051 AJLFOFXVLFTYAX-UHFFFAOYSA-N 433.553 0.326 30 20 ICED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 786550794 YUSFAFMRELUGOJ-GOSISDBHSA-N 444.513 0.993 30 20 ICED CS(=O)(=O)C1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 793997706 KMPMTPVFFOZXQI-UHFFFAOYSA-N 427.548 0.979 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794648297 ZJGORLRUNJVLME-CQSZACIVSA-N 425.466 0.156 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797412313 ICPOPLJDOLSPGZ-UHFFFAOYSA-N 445.504 0.519 30 20 ICED C#CCNc1nc(NCC2(N3CCOCC3)CC2)nc(NCC2(N3CCOCC3)CC2)n1 804654476 QODBYGWSVRTLOG-UHFFFAOYSA-N 442.568 0.470 30 20 ICED COc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c2c1C(=O)CO2 811068475 JIDWAKKJRRLSBI-UHFFFAOYSA-N 444.421 0.846 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1=O 906486789 PCOKJJQAHLPYFK-FQEVSTJZSA-N 447.496 0.136 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 915092723 AKQPDVUJQKLKKA-UHFFFAOYSA-N 435.527 0.448 30 20 ICED CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916311718 PMEGZXYAOXEXED-AWEZNQCLSA-N 428.536 0.807 30 20 ICED Cc1c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1171843735 YLHWXJRENSIHPD-UHFFFAOYSA-N 436.447 0.914 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1314674131 JHUAUSGXDVJVSG-MRXNPFEDSA-N 445.505 0.349 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453960425 XSBKZBYHJDFVSC-LIRRHRJNSA-N 431.518 0.931 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1501432635 UGFDNDYTUQTEBM-MRXNPFEDSA-N 439.476 0.848 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 1611706776 FRRBNLYVTQOMDA-TZMCWYRMSA-N 436.567 0.570 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cn[nH]c1 1723952142 HQUGNKSAIHXEGS-BBRMVZONSA-N 433.542 0.031 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1741132388 KDKCFQNYJAUQOI-GJZGRUSLSA-N 441.558 0.075 30 20 ICED CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745896236 YNYZKDNBBAPWSQ-GOSISDBHSA-N 425.541 0.795 30 20 ICED CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747559070 SBTYZBGQKKBAIZ-BZUAXINKSA-N 434.522 0.805 30 20 ICED CO[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748390435 XOUMXBPMSPZDOY-BBRMVZONSA-N 427.513 0.504 30 20 ICED CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751049713 PDVLFOWVUYUUHG-ZBFHGGJFSA-N 425.559 0.490 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1752272424 SNHXUMJDJDWPMM-AWEZNQCLSA-N 431.522 0.375 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1778077149 CXXOEEDWYJRAAC-IERDGZPVSA-N 436.509 0.756 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778080317 BPBOAQMANJSDGF-YRVKDEGTSA-N 428.580 0.621 30 20 ICED N[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779016893 SWTXPERFVGRUJX-CYKTWUMGSA-N 428.537 0.773 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779100542 BFMQFXYGUJPBFV-PTXHPZSESA-N 442.476 0.702 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)c1 1781103469 MTCDWPHTIFTBAX-CSODHUTKSA-N 430.436 0.933 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(C#N)c1 1781173656 BEVHQZSQJJKDCA-HSZRJFAPSA-N 442.516 0.808 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298691 PJWPWDKASSUMIS-JOCHJYFZSA-N 430.480 0.842 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342007 GNFBRHQMXDACLY-KSMMKXTCSA-N 431.555 0.410 30 20 ICED COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015235 BZIHMSFPQVTSTN-NRVIRDBHSA-N 434.489 0.568 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1782183578 KDVSUGQIOAYCBP-DZDCQFRTSA-N 431.555 0.662 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195351 YYFSCLXUNCSFNQ-UZQCKINESA-N 448.483 0.736 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnn(C)c2)C1 1782586333 YVDCYFAAQVOXNM-LHTVMBCQSA-N 429.521 0.335 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784550481 MLEVBDQRIYSUPG-DSMOLAGKSA-N 425.526 0.902 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)ccc1F 1784581011 YKBBBHBDIZBZBX-IKICRFKJSA-N 430.436 0.328 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784895762 BHBYNSFYURTDQD-YLAKUSLOSA-N 425.489 0.449 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349662 JICMSHBHSAZCPX-HSZRJFAPSA-N 448.564 0.782 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785381913 IOPXGZZYMGEEDA-FQEVSTJZSA-N 435.502 0.202 30 20 ICED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1786746111 HSMYFYWOKPZBSB-QFYWPPNZSA-N 435.569 0.160 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)N1CCN(C)CC1 1789798885 VWJNHVQQVPIGHX-UDIDDNNKSA-N 438.572 0.654 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1791258944 HMARALBSNOFVAM-CVYDXHPNSA-N 434.562 0.830 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc([N+](=O)[O-])o1 1792355738 FVGWNPRSHRMCTF-AACUENJTSA-N 436.421 0.920 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793052745 AWKGWHIKTYTQTM-FAQVEIGNSA-N 425.485 0.767 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c1 1794268728 KGARLZPQSGNLQW-IZZQQSIFSA-N 433.468 0.878 30 20 ICED Cn1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)c1=O 1799883091 KYNKBCVBQRUUBB-CCWDJLKJSA-N 446.467 0.650 30 20 ICED 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)C1 1800780990 BWMNIVXYNJRNBI-IHSNIMORSA-N 449.504 0.311 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800958672 XLJATDKPAAKSTQ-KMOPNRPKSA-N 426.473 0.845 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CC1 1801986437 DDYAKAVRJGJADY-MUJYYYPQSA-N 449.504 0.475 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806819093 YSZRQQALJNBXMZ-KDSKUYPASA-N 425.489 0.224 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807117357 FIWYDAGUPVEFMW-XLIONFOSSA-N 442.520 0.437 30 20 ICED Cc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2nccn12 1812879164 CEYDQGZXSSUGCC-OXQOHEQNSA-N 432.440 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cc3ccn(C)n3)sc2C1 1815541347 NMLKAGJOONHYIN-FWWRYZNZSA-N 428.518 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)NCC)sc2C1 1819681555 OESHAUQREZXPRD-MYSQMOAQSA-N 448.549 0.621 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830877764 OARWOGWWJVTHKU-IRLDBZIGSA-N 431.489 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc(C)s3)C2)C1 1831403222 ZGKSZLKZBDVIMT-IKSNEBHTSA-N 433.530 0.959 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1831405770 JHRPMQAKSPMDRV-QZTJIDSGSA-N 438.443 0.739 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831426447 LVQCTCMZYCHDIT-BTYIYWSLSA-N 435.477 0.899 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887778 FIUMBRUIJHLVFV-HRAATJIYSA-N 434.493 0.256 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832162276 LLCAOYKTQCTTLT-RBUKOAKNSA-N 441.406 0.942 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1833450180 CKGJNDLSDPCZMQ-KBPBESRZSA-N 434.628 0.204 30 20 ICED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccc1 1834705462 LDJCFIZHJQFPFQ-DGEAWOGYSA-N 442.516 0.797 30 20 ICED N[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccnc1 1834764748 NTRKORFJFZVCBD-LJQANCHMSA-N 427.505 0.131 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1)c1ccc(O)cc1 1834977945 CEGRQPBOCBTYIQ-CVDCTZTESA-N 430.501 0.992 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1)c1ccccc1 1835431873 YMGFQFDZPHRGRE-YKSBVNFPSA-N 441.528 0.728 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1837174759 BFGOYMLKPJHPRY-CQSZACIVSA-N 443.504 0.905 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837453350 ZSOJFEKFSMYVKE-VGSWGCGISA-N 449.504 0.881 30 20 ICED COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837561636 YQYKQCYKGHTUMM-YVABFXQFSA-N 442.472 0.872 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803315 RTJHQZJFFVQXQN-UHFFFAOYSA-N 449.596 0.599 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1838077595 GIJMPMFTKZLLLU-KRWDZBQOSA-N 429.399 0.813 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535110 UPUCOMJKFVQPGJ-IBGZPJMESA-N 425.432 0.667 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838643385 RKQWUSCTHRNGTE-UHFFFAOYSA-N 433.509 0.786 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1839228443 DOQDEODGPBUNJX-HYFFOGBASA-N 447.536 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349126 FIMKYFUDTGXKFC-OPAMFIHVSA-N 431.489 0.447 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4)CCO3)c1 1839573542 MGGJAWGVDTUXAL-QHCPKHFHSA-N 449.467 0.765 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636956 ZPUPYJPSBZCRTJ-KLHJMIIUSA-N 432.546 0.527 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1839888106 RWHUFHFTQMLFMD-SFHVURJKSA-N 426.420 0.894 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)n1 1840161373 MJYZAQJYZAHKEA-YWZLYKJASA-N 438.550 0.062 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840246598 RXWIYICMKZFURO-NVGGBKRNSA-N 447.891 0.896 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840433615 ZMKXYZWSJOYEPS-DBXWQHBBSA-N 435.525 0.777 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840566411 LTYWEZXRBASLSF-YHAFYQSGSA-N 440.541 0.312 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c(O)n1 1841847197 SDJMADRWZSZBOA-UHFFFAOYSA-N 427.461 0.275 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c1 1843130756 VYWPARDXXIDGDW-UHFFFAOYSA-N 443.460 0.980 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)c(=O)nc1O 1846971352 RARFMRXVJJFXQV-UHFFFAOYSA-N 428.489 0.159 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)Nc2cccc(C#N)c2)c1 10776843 JNAAKKSIOBIGHN-UHFFFAOYSA-N 446.485 0.932 30 20 ICED C=CCn1c(SCC(=O)NC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 23557701 MZTONGPYLVDLNJ-UHFFFAOYSA-N 437.547 0.990 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)C[C@@H](C)O1 30592576 TXQMVQYIDRANHX-QZTJIDSGSA-N 441.598 0.643 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 106032447 ULACBNLCGAWNLS-UHFFFAOYSA-N 439.520 0.153 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409545164 PBEATAMTLRLUBQ-AWEZNQCLSA-N 428.536 0.532 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410145222 YABWKXWLDHPEGI-GOEBONIOSA-N 437.518 0.760 30 20 ICED N#Cc1ccc(O[C@H]2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nc1 427464844 YHGWLPGVGQQQGT-DOTOQJQBSA-N 441.469 0.386 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc21 438845047 ZUFBVAMMABPIRF-UHFFFAOYSA-N 430.428 0.966 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 439941745 YTRSSNLGGRBGEL-IYYOBANKSA-N 449.485 0.177 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 443715983 DPNLAUTXOAWARF-UHFFFAOYSA-N 444.517 0.697 30 20 ICED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c1[N+](=O)[O-] 471530202 XJHUJRHXHVEPAT-UHFFFAOYSA-N 445.457 0.470 30 20 ICED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 473263573 PGHGPBNHICDEFF-UHFFFAOYSA-N 444.491 0.974 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 484720808 OOIUIWMPTKSIEL-ZEVUXNIQSA-N 426.583 0.931 30 20 ICED CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C1 487711862 VSBMBLHJGOCIJG-ICSRJNTNSA-N 434.500 0.984 30 20 ICED COc1c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1C(N)=O 488624279 HBYQBKITKDXMEX-QGZVFWFLSA-N 435.440 0.522 30 20 ICED CN1CCC(N2CCC(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 501269389 PAWPGQUZFLNQQC-UHFFFAOYSA-N 433.578 0.854 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCO3)c1=O 505667406 YZEGLUUOEOCSBS-UHFFFAOYSA-N 449.492 0.451 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2C1=O 506002649 OZOITVYGUIMZDE-STQMWFEESA-N 433.486 0.138 30 20 ICED Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508402369 GDXJDXGKNDMMJU-UHFFFAOYSA-N 429.506 0.434 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508959172 DSMOCFYCJCGKBZ-AWEZNQCLSA-N 429.510 0.577 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 517178519 DWGGPQZAMYPSJT-UHFFFAOYSA-N 443.441 0.938 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 526096759 HSNCNPZITSEVPM-UHFFFAOYSA-N 449.471 0.899 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 530654362 AKFHDLZRHFGQJT-UHFFFAOYSA-N 432.527 0.145 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 536795319 JMWIVJHSSIQWJM-XOUADPBQSA-N 429.433 0.464 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCC2 546803000 DJMAQAAJVFNFKD-SFHVURJKSA-N 448.487 1.173 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 580224503 PFZWTJLUNSDJHW-PXNSSMCTSA-N 440.548 0.170 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)nc1 586844580 RBGYEWWZDUGNRJ-FQEVSTJZSA-N 446.511 0.956 30 20 ICED CS(=O)(=O)c1ccc(OCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 589396454 ICFYQICEXXFUKD-UHFFFAOYSA-N 437.499 0.435 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)CN2CCOCC2)CC1 598929539 IMOMPBQVIOTACE-GOSISDBHSA-N 431.512 0.937 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 602253755 VHESIKPEOJDMID-OAHLLOKOSA-N 449.510 0.784 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1Cl 608819036 VEGMPEZFZQRRMD-UHFFFAOYSA-N 441.879 0.795 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2cccs2)c1=O 609037602 TYZYJSSZZUPBKF-UHFFFAOYSA-N 425.539 0.729 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564763 LRVMSJRNHMZZMT-KRWDZBQOSA-N 434.522 0.187 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3S(N)(=O)=O)cc2C1=O 725912251 ZJALZTADJRLOCL-UHFFFAOYSA-N 443.437 0.912 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726584342 QRHVIYHTEHPAPY-UHFFFAOYSA-N 441.488 0.809 30 20 ICED C=CCn1c(C)cc(C(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C 728914527 GRGTYYZJLCFTGR-QGZVFWFLSA-N 443.591 0.608 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)cc1 732491624 HOEQAZKFKDFLQH-PXLXIMEGSA-N 431.478 0.072 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCc1cccnc1 732565138 YBCKVMOSXVUKBU-UHFFFAOYSA-N 434.525 0.569 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc1 732912108 DRXVHADLNJFKIP-UHFFFAOYSA-N 442.526 0.960 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCSCCCO)c1 737290169 NRVFSEVZXLJDOF-PGMHBOJBSA-N 442.563 0.670 30 20 ICED C[C@@]1(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)NC(=O)NC1=O 748374536 GLEOYDLPBVHQSH-FQEVSTJZSA-N 447.517 0.342 30 20 ICED C#CCCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 748671822 JLOFAORCVPZVKE-UHFFFAOYSA-N 441.575 0.474 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 758552309 YVIGPBKYASSYGX-VGWCWKRBSA-N 434.497 0.765 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCOC 763301269 NZPCSDGMMKCYSL-UHFFFAOYSA-N 430.530 0.769 30 20 ICED C=CCn1c(-c2cnccn2)nn(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1=S 764864847 LSANVHDQSPREIW-UHFFFAOYSA-N 430.538 0.683 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 766559652 MCBFEAVXOJGDLR-VKEPEHDUSA-N 444.517 0.835 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@H]1CCS(=O)(=O)C1 783480645 SDUYAJYKINTFOI-IBGZPJMESA-N 432.546 0.021 30 20 ICED CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 784717966 LRSOIXLAYNZYLQ-FBMGVBCBSA-N 438.448 0.502 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 785966773 LYAMVUCDTMPFMF-RTBURBONSA-N 433.530 0.561 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@@H](CO)O1 787906070 HQSQWPFFBPHASC-HAPAKVKZSA-N 438.506 0.046 30 20 ICED CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788114559 QRJGTUUDKYHTTC-UHFFFAOYSA-N 432.506 0.745 30 20 ICED COCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 792678128 OPFDOWQZHRMKAX-UHFFFAOYSA-N 435.502 0.751 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 808178328 HYAMLCWWBLHTBZ-WMZOPIPTSA-N 426.473 0.781 30 20 ICED CS(=O)(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 809393037 PGXJUXXDJREFOL-CCEZHUSRSA-N 433.895 0.548 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 810342874 FZQGXHCNDVIPFI-UHFFFAOYSA-N 447.344 0.165 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)cc1OC 816755995 NUOAZFVKRPNQLR-OAHLLOKOSA-N 441.506 0.601 30 20 ICED Cc1oc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C#N)c1C 821751677 HGQSVBZSFQEOTJ-GFCCVEGCSA-N 436.446 0.415 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CC1 839376769 OTLTXVLXTNQWHI-UHFFFAOYSA-N 429.546 0.641 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC2(CC1)OCCO2 918818034 MBRLLHIHKASTGC-UHFFFAOYSA-N 437.474 0.024 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1151491190 WBVUGOGQXRTLJD-HBGVWJBISA-N 437.562 0.979 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CCO1 1299138610 XUUAXMJMOFETKA-LAUBAEHRSA-N 428.493 0.555 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1300831070 QUNHZCJSOCQQNQ-AAEUAGOBSA-N 449.375 0.902 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1302495720 JDSSKEDRLJSJEI-ROUUACIJSA-N 446.533 0.750 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(N4CCNC4=O)c3)CC2)o1 1317848713 OOTPRBTXSRJSSY-UHFFFAOYSA-N 438.444 0.890 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 1319319069 YIWGSBDLAMIFJW-HZPDHXFCSA-N 442.563 0.413 30 20 ICED CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1359375414 MKNUMWORBHKUGH-UHFFFAOYSA-N 437.504 0.734 30 20 ICED Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n[nH]1 1511564063 NEFYKVXUBRJFEK-UHFFFAOYSA-N 441.521 0.568 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1521062765 IZJMOYNVCWZHGE-KXBFYZLASA-N 432.481 0.769 30 20 ICED COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 1525127669 ZKJIJANOCQSUEF-JKSUJKDBSA-N 446.508 0.854 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1611124605 NRIYXBGWTSUZJK-MSOLQXFVSA-N 434.518 0.281 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1620347374 STEZHIITKHXCAC-SCLBCKFNSA-N 436.469 0.645 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CCO1 1620355901 OPXIPRPVYVTMLS-CZUORRHYSA-N 427.440 0.527 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCN1C 1685726588 UNELJLPRWHRURR-APWZRJJASA-N 434.566 0.208 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1708279175 LUIMIFIFFCCJDI-ARBPTSGCSA-N 440.504 0.970 30 20 ICED CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1710320610 UWGWOWBPHPAVRC-AUUYWEPGSA-N 438.529 0.929 30 20 ICED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1766148967 QQZLWNLUPDQEJE-UQHVZDHRSA-N 426.543 0.558 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771369275 OXMIUYRBTUIHIM-GOSISDBHSA-N 440.533 0.543 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777711683 IYAGSYGDVAREIR-FOIQADDNSA-N 449.533 0.515 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)NC1CC1 1779103182 OBGBMYYHIRYPIC-DOBIQSGISA-N 434.493 0.180 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779105918 HNQJDNNOKIZMNO-MHTGZXFVSA-N 447.492 0.638 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(C#N)c1 1781171180 LDIQUEMVTWBFRG-QHCPKHFHSA-N 442.516 0.854 30 20 ICED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1782180909 GVGACPSHOBMGNU-VVFCZOMOSA-N 441.575 0.931 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cn5ccncc5=O)CCO4)C3)c2c1 1782199624 TVRVDZKXDCZCQI-QFIPXVFZSA-N 447.455 0.135 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279517 LDENFZYRIPLKFA-PIUNUONSSA-N 430.509 0.581 30 20 ICED CN(C)[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1782826582 LRZUGJKQPBXFQI-CTNGQTDRSA-N 433.892 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21 1783532803 HOSJDOULFHGZEB-NNEUDLRQSA-N 441.528 0.428 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783558778 YIJYQYVAWKUYIX-KSFYIVLOSA-N 449.504 0.598 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)C1 1783888404 JDIDFKLYDGVWII-NYHFZMIOSA-N 447.557 0.915 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)CCO2 1783914180 LDEDBRWRQHDTLZ-QFIPXVFZSA-N 425.489 0.899 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1784200371 CXCSMEVZPCLLLO-QFIPXVFZSA-N 427.505 0.654 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503725 OVICVQPTUWHPBU-GBRCLDNXSA-N 430.457 0.685 30 20 ICED N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccccn1 1786868521 BMUJPVSDJBARGK-GYCRXIDXSA-N 445.520 0.590 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787376002 IJDLHLHWKGXVOY-CBVHJVASSA-N 427.505 0.896 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789203040 BBVUYEBXZPEEEA-RMRKRWHISA-N 429.502 0.718 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789273527 LROFJNQHOZPNGW-SZMVWBNQSA-N 439.472 0.685 30 20 ICED CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)CC1 1790719533 CBRSNRKXJCCCNN-UBZBMESMSA-N 434.537 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncncc3c1)C2 1792489426 WOZUDIFDWNDRNF-DBXBBDQRSA-N 435.484 0.691 30 20 ICED CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)no1 1794001804 QIGWJCHJUAJNNU-QDLITJCTSA-N 449.508 0.854 30 20 ICED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)(C1)C2 1795601013 MIXVAXTYKXFFNX-YRNCVMFISA-N 432.521 0.201 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1796437809 MYIKXKIGZDKRNJ-HATOLVCRSA-N 445.541 0.053 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 1796563415 WKVXKMANKWEYJS-CYGHRXIMSA-N 431.489 0.645 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797065900 WYWZLRNFIGKGPB-LJCCNALRSA-N 438.484 0.244 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cn2cccnc2n1 1797390205 PKKZEDAOOKXIAI-XOMSMDBKSA-N 442.476 0.462 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1800547696 FVSGOYFRAVDMBG-GNXNZQSNSA-N 433.502 0.648 30 20 ICED 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)C1 1800769597 KJTCSQGNNQTZGU-OAFZBRQQSA-N 449.504 0.311 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c1 1801350373 SWTDEZDYOSCYPQ-YVWYUNDQSA-N 425.420 0.770 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN(C)C(C)=O)[C@@H]1c1cccnc1 1802475671 AKGARPDZCBPCRW-VZVPXEAQSA-N 441.532 0.814 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]1c1cccnc1 1804048241 NNSXMLHEMCJMAP-SMDDNHRTSA-N 445.325 0.531 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1804367256 YMEOPBWKPZKXBA-JUXOCIIHSA-N 449.511 0.951 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNCP(=O)(O)O)CC3)c1 1822027106 CTXSSPGZFOMKEF-ZDUSSCGKSA-N 449.429 0.965 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1829266919 GNHWAAXKMOLSPR-SBUREZEXSA-N 440.500 0.596 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)C1 1830472822 XMIIWRGSRKIMHN-QFIPXVFZSA-N 431.920 0.710 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1831396042 HKQIKHRFIKJCCM-NJNPRVFISA-N 430.505 0.377 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1831397464 YVRVMWKQYZLIHQ-NYHFZMIOSA-N 444.463 0.810 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831494539 ZHOWILANDKIAQU-XLIONFOSSA-N 433.534 0.982 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1832292797 HIMQQWCYNXMFRY-HSZRJFAPSA-N 442.516 0.805 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832767712 WJIOMVMTGSNKJA-FDDCHVKYSA-N 447.532 0.662 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccncn3)CC2)CC1 1833074940 KAGQKHOJHHUZRT-ARJAWSKDSA-N 426.521 0.520 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166304 CKBZFUIDENQGPB-DWBVNXOXSA-N 447.492 0.005 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1833852152 XDABHOODQCGNEC-WCNTUGILSA-N 434.493 0.624 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835072831 VTLAGDTXUPDLKK-AWEZNQCLSA-N 429.464 0.706 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN(C)C(C)=O)CC2)CC1 1835713959 FYTVDUKMOAGFOE-HXUWFJFHSA-N 436.597 1.000 30 20 ICED CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1836006181 COKFFLUEQKECBJ-UHFFFAOYSA-N 427.505 0.421 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836339261 UIBSHSYUHRJZSV-UHFFFAOYSA-N 444.561 0.377 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837437647 FPJXZUZBUDRNAZ-VFNWGFHPSA-N 435.546 0.791 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837482767 CZCPQGOIPXZGTN-BTYIYWSLSA-N 439.476 0.247 30 20 ICED CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486947 UVRDPVJDDZDJTH-QHCPKHFHSA-N 434.533 0.757 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531288 HLPQQRHWCYXEAH-KKRXVXNVSA-N 445.476 0.485 30 20 ICED O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567367 HGMAOQFOYXFTBH-XOBIUNJKSA-N 441.488 0.578 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837772028 HXHPDEKHTWBDFZ-KPZWWZAWSA-N 431.461 0.632 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742108 RIFNQSQLUOTLHA-ZHRRBRCNSA-N 439.472 0.819 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949814 WJDBHLSIOZEORM-NRFANRHFSA-N 447.513 0.534 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)cc1 1838950572 PIXSQKGLWMKKGY-JOCHJYFZSA-N 438.440 0.341 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951771 HOJVPSTVPLPIBD-HSZRJFAPSA-N 436.468 0.641 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1)c1ccccc1 1839163226 FOOCDUMWTFVGIR-PTLVVNQVSA-N 441.528 0.775 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839223481 WSXJAWZGONTFJC-UWJYYQICSA-N 434.493 0.718 30 20 ICED COc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1839409439 ZJQRFFLHHNYCPC-JOCHJYFZSA-N 430.457 0.470 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839889760 OGHQILRIYIYAPM-FXAWDEMLSA-N 444.523 0.290 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1)C(F)(F)F 1839891567 LRSSLWIZBOOXAH-SFHVURJKSA-N 430.427 0.846 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1)C(F)(F)F 1839894708 MPIZPGKBUROEPE-HNNXBMFYSA-N 435.428 0.472 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106798 YYUVNCCDIRYIQF-UWJYYQICSA-N 438.525 0.256 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2=COCC2)CCO3)c(C#N)c1 1840562237 ISEORZGMPQICMZ-HSZRJFAPSA-N 441.484 0.870 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840566602 QPRPDALLUAEJNB-QHCPKHFHSA-N 435.565 0.482 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c(=O)[nH]c1C 1840813137 GWBQIXPNJVJDIA-NRFANRHFSA-N 429.477 0.151 30 20 ICED Cc1nn(-c2ccccc2)c(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C#N 10721674 GNCGZGJBIOPYDH-UHFFFAOYSA-N 447.455 0.933 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N\CCS(=O)(=O)NC[C@@H]3CCCCO3)NC[C@@H]2C1 305042535 WJAKJFAGWBQYRT-CVEARBPZSA-N 445.586 0.355 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C[C@H](C)O)CC3)nnc12 428493584 KSYADMZUEAOITG-HNNXBMFYSA-N 442.545 0.847 30 20 ICED COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N[C@H]1CCOC1 435112714 DAPJYFDOFHRWGC-VHDGCEQUSA-N 436.490 0.509 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)C1=O 440252935 HFDOZIWLJVQQCR-KRWDZBQOSA-N 444.488 0.351 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1=O 440276757 WZWGTUWKFCQVIR-FQEVSTJZSA-N 443.548 0.497 30 20 ICED N#Cc1c(CCCNS(=O)(=O)CCCN2CCOCC2)nn(-c2ccccc2)c1N 463352179 ORTWCIVKEVBGSO-UHFFFAOYSA-N 432.550 0.900 30 20 ICED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 471237857 FAWAMIGDIHYIGO-IBGZPJMESA-N 428.514 0.897 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484666884 BZXXGJKPCKQLGM-UHFFFAOYSA-N 449.627 0.475 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 489485579 RXVFPVWSLDHJIO-GFCCVEGCSA-N 437.250 0.861 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1CCC#N 505012740 GQMMALIMKFQNDI-UHFFFAOYSA-N 439.432 0.937 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H]1C(=O)OC 511317348 YTIKVJIAHZRNJQ-NVXWUHKLSA-N 437.474 0.132 30 20 ICED COC(=O)c1coc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 513790675 BQZOWIAMPOELCZ-UHFFFAOYSA-N 439.471 0.633 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 515923836 JUSDMKYWYNYTFD-UHFFFAOYSA-N 431.539 0.677 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 530317665 KGWOGLAHLIGCHO-CYBMUJFWSA-N 431.901 0.547 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 533166558 OWRVKXVDRJTPHS-UHFFFAOYSA-N 441.431 0.936 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4cccc(F)c4)C(=O)C3)CC2)o1 533292635 RKWDHCCYDFFFKS-UHFFFAOYSA-N 440.479 0.987 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 533894389 BKYURSHRFZJABH-UHFFFAOYSA-N 448.487 0.200 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540552770 IDWQDLSRFXXSNS-MOPGFXCFSA-N 444.605 0.695 30 20 ICED COCCN(C(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCS(=O)(=O)C1 541076009 VXQUGSJKNMVDAX-HNNXBMFYSA-N 435.481 0.957 30 20 ICED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)O1 541131174 IOPKLQRDLJFDBR-XJKSGUPXSA-N 428.424 0.574 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 545403177 PTBMQZNKDXETGR-CYBMUJFWSA-N 446.489 0.467 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCNc3nccc(C(F)(F)F)n3)CC2)n1 550824335 FYIMLFOWQQBSIJ-UHFFFAOYSA-N 448.409 0.639 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 553419125 JLHVYEXWNVYFJQ-UHFFFAOYSA-N 435.458 0.932 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 562379753 WRUSOMDDAASCHB-UHFFFAOYSA-N 426.502 0.312 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)nn1CCC#N 568571743 VABOWPINXQHLBO-UHFFFAOYSA-N 434.453 1.262 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 579171134 DBIOXFQTXUGREV-MRXNPFEDSA-N 428.470 0.767 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1[C@H]1CCOc2ccccc21 579185380 UUNINBLJBZXYQL-KRWDZBQOSA-N 448.504 0.934 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 588765349 DURQIJUSDCBZKN-MRXNPFEDSA-N 435.488 0.862 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 588765834 KNVWOIVJBDJOMB-AWEZNQCLSA-N 425.493 0.658 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 608981853 QTENDWLPVBLKBB-UHFFFAOYSA-N 435.531 0.809 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCc3cccc(C#N)c3)cn2)CC1 609565888 XVZGAPPIOZCNFO-UHFFFAOYSA-N 442.501 0.290 30 20 ICED N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F 609740526 URSPNSDXTTWJIJ-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 731214136 CLFANCNKWIFBKP-UTKZUKDTSA-N 448.545 0.636 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 732413456 RSPKUPKIXCTXMI-ZCXUNETKSA-N 449.489 0.355 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 742607563 UTMDRVDTVJZQIZ-UHFFFAOYSA-N 427.498 0.710 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 746531374 PCBWQZNETHIDRO-UHFFFAOYSA-N 426.454 0.846 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 747993296 DNROWVRHKZFOFJ-UHFFFAOYSA-N 426.473 0.749 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(C#N)c[nH]1 748226079 KIBBJMYJHZRQBG-UHFFFAOYSA-N 448.457 0.711 30 20 ICED C[C@@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)CCO1 748995339 RLQQMJCVOVZASX-CYBMUJFWSA-N 443.550 0.679 30 20 ICED CN1CCN(c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2Cl)CC1 750341529 GFNWVNRRQBUCSH-UHFFFAOYSA-N 444.927 0.956 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 754924222 WJSYHLGDAVLQNM-UHFFFAOYSA-N 444.517 0.082 30 20 ICED Cc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1-n1cnnn1 755538891 WNGGEAUWMQTYLC-HIFRSBDPSA-N 440.464 0.785 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766052758 PRICDPZDOVFLOG-UHFFFAOYSA-N 443.441 0.825 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1 767195374 YXDFEQQMRAAHBF-UHFFFAOYSA-N 425.507 0.557 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(=O)(=O)c1ccccc1 767636464 JLMLUUHLBKKHTF-AWEZNQCLSA-N 437.499 0.747 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 767677767 AQRLSEPUYDKMSU-ZDUSSCGKSA-N 445.453 0.813 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771439196 QUZQIJSAZZJBKN-YUNKPMOVSA-N 432.433 0.406 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 772311589 FLPHERUSJZAVCP-UHFFFAOYSA-N 447.476 0.706 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)(C)CN(C)C)c2=O)cn1 772317047 UGBKEYVLIYDZFV-UHFFFAOYSA-N 442.589 0.822 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 774936146 RBZKTGILDZJTEM-ZDUSSCGKSA-N 447.391 0.502 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)cc1 777173485 CPHSCRAYVOJOTM-JRCVOMKHSA-N 445.505 0.503 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 783545314 PXFSEJFBTXFDHY-GJZGRUSLSA-N 430.548 0.815 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 784866258 NGJSRENYQRRWMB-MRXNPFEDSA-N 445.497 0.294 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 785394277 WLLIGUDCJHIWSK-IBGZPJMESA-N 437.474 0.478 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787580518 MDQAMGNNXWMRLO-CYBMUJFWSA-N 436.490 0.808 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787760617 UKMBTRKRTMYJQW-SFHVURJKSA-N 436.472 0.407 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1 798222534 QRCYODQDEDSTAB-UHFFFAOYSA-N 438.506 0.356 30 20 ICED C=CCn1c(O)nnc1SCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 799305104 BBUYPFFANREGEO-UHFFFAOYSA-N 432.549 0.986 30 20 ICED C#CCN=c1nc(N2CCC(CC(=O)OC)CC2)[nH]c(N2CCC(CC(=O)OC)CC2)n1 804376117 XGGWOFJZKNDOPX-UHFFFAOYSA-N 444.536 0.898 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806759402 JRWULVQHWIMKCX-PBHICJAKSA-N 443.504 0.805 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)C1 810384682 FMMVSPYTGYCMHJ-RISCZKNCSA-N 429.433 0.831 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCc1ccccn1 814250502 RUBLVYPCDANIKF-UHFFFAOYSA-N 444.467 0.258 30 20 ICED C[C@@H](OC(=O)CSCC#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 915387822 QNPLALQVRKQREK-CYBMUJFWSA-N 427.504 0.834 30 20 ICED CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918278546 BAJJBBBMLASMEK-JWGURIENSA-N 437.522 0.423 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COC(=O)C(C)(C)C#N)CC2)c1 919350788 WOQWTKBXGCSLIG-UHFFFAOYSA-N 439.490 0.630 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1299302780 YMJYOFBZPKWSSD-SFHVURJKSA-N 436.469 0.707 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1318361154 MXWBQRMQWDXZCE-UHFFFAOYSA-N 434.566 0.730 30 20 ICED COCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1318487975 YTNONLDWXVRWEP-IRXDYDNUSA-N 448.501 0.425 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1324130154 ZJNXVXRKLAHJBJ-KRWDZBQOSA-N 434.518 0.422 30 20 ICED N#Cc1ncn(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)n1 1340646642 GKFQXIINOFAAAQ-MKMNVTDBSA-N 426.414 0.731 30 20 ICED CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1499782238 LLDSPQWJZDRRGR-MRXNPFEDSA-N 434.522 0.893 30 20 ICED CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1500194674 QAYQFAFBWASKNT-CVEARBPZSA-N 438.554 0.920 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1503289737 DWGAFMXEMQRZHJ-OHZJNBGDSA-N 437.547 0.846 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1569500884 ABKLUHGJVORJJH-ZFWWWQNUSA-N 433.511 0.912 30 20 ICED N#CC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1625126281 JWMCKVLPSQKFDB-DLBZAZTESA-N 425.532 0.345 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccccc1N1CCOCC1 1635883208 KIDAMWMZACGAPV-UHFFFAOYSA-N 428.514 0.921 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1692787884 YJIKXTAFWMSKOK-YOEHRIQHSA-N 443.549 0.441 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(C)(=O)=O 1694132240 YUCXELDJCCPLOO-GJZGRUSLSA-N 447.569 0.718 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1722863818 MSVPWLSURQYJIW-LSDHHAIUSA-N 425.559 0.349 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1723934359 JMHLNOZCPOGKSF-KBXCAEBGSA-N 441.533 0.733 30 20 ICED CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750202749 UVKOHMINNNLJOV-KRWDZBQOSA-N 445.549 0.810 30 20 ICED CS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1771357210 IVSPWZMFABOASQ-LJQANCHMSA-N 448.528 0.939 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778388920 BKGBDFVEYUTPSY-HSZRJFAPSA-N 439.516 0.907 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(C#N)cc2)C3)CC1 1778848165 MXRSXZNFJHABCP-ZJSXRUAMSA-N 439.560 0.933 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779104066 FMRQBIYDMUOCDX-ZLISCHMWSA-N 449.533 0.928 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779106272 ZKJVPCCMFNXQIG-XUYQLWACSA-N 432.477 0.207 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1779318839 OEZHKMQZQGAGLA-GRWTVWFQSA-N 442.516 0.908 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)NCC)C1 1779323892 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1838950534 ZZEIRKUAFLUJIC-OAQYLSRUSA-N 425.445 0.821 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(C#N)c1 1839132445 HCOFBMFWURPHCH-GWJPWWOOSA-N 443.500 0.337 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839225665 PUZNSBIHOJDTML-KKSFZXQISA-N 449.508 0.537 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420441 JHZKIXWQATYBSE-JOCHJYFZSA-N 446.479 0.540 30 20 ICED CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839444929 PBSYZRYRCPCMMN-JOCHJYFZSA-N 444.440 0.021 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773115 XHTZCCUUQJMRTR-QFIPXVFZSA-N 432.517 0.790 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)C1 1840040028 MBABPDMWQPCULF-HXUWFJFHSA-N 434.832 0.067 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361333 WCUNYJYCMOTODG-JLHGSKIFSA-N 430.505 0.009 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCN(CC)CC3)cc1)CCO2 1840774582 NIUBPVSQLYQPKM-DEOSSOPVSA-N 440.544 0.532 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818091 JGDUZNLILMTGRY-RBBKRZOGSA-N 431.489 0.410 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1843821063 DXMQWAZRRZLOHB-SQNIBIBYSA-N 449.548 0.846 30 20 ICED CCOC(=O)Cc1csc(/N=C(\O)CN2CCN(C(=O)CN3CCOCC3)CC2)n1 26913342 WNYJTMMURZASIY-UHFFFAOYSA-N 439.538 0.313 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 32766886 AVYGPKRMPXECHL-HUUCEWRRSA-N 444.435 0.848 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2)cc1 427410720 DRNKKIRLNYFFSZ-UHFFFAOYSA-N 449.431 1.105 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 439396663 YVJWKPQQISKYSJ-UHFFFAOYSA-N 444.511 0.333 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(CC(C)C)c1=O 440378569 WSXULZNMWSADFD-UHFFFAOYSA-N 449.554 0.227 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 440383502 AAYNJNCFXVWCDG-UHFFFAOYSA-N 440.481 0.453 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccc1 440391678 ZXWOHIBCFAALNH-UHFFFAOYSA-N 448.504 0.883 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 440614961 ODQRHHCAEXMFTP-UHFFFAOYSA-N 436.534 0.632 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 442406614 WXRQIVLPQCHBLB-MRXNPFEDSA-N 439.476 0.896 30 20 ICED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 442897412 FBWJXOSBDLYGAS-UHFFFAOYSA-N 443.445 0.376 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)n1 462933230 QEKOTEVPYKREII-UHFFFAOYSA-N 444.517 1.305 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCN(CC#N)CC3)c2)CC1 464976676 KXBQMPLWHMOJRO-UHFFFAOYSA-N 447.561 0.505 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 465267475 QDSITPQQUVDOFW-CQSZACIVSA-N 438.448 0.793 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)C1=O 474724635 CIUPXTZVEGJLJP-UHFFFAOYSA-N 430.461 0.325 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475639560 NORWFPSGWVPUQN-UHFFFAOYSA-N 440.460 0.978 30 20 ICED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1ccccc1CN1CCCC1=O 476051965 PIJSLVMGNUNJFA-UHFFFAOYSA-N 431.518 0.985 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 480155686 NNXTUXWOMCCDEC-UHFFFAOYSA-N 447.513 0.221 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccn1 488906301 YHEMIOACJZCWPU-NSHDSACASA-N 427.490 0.869 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)n2)cc1 490853179 RGMBPNAHMJJPDE-KRWDZBQOSA-N 431.460 0.712 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)cc1OC 508050325 AHIVVTCCQDHYKB-UHFFFAOYSA-N 436.534 0.772 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508710899 AMRBTFWDJZKZGM-KRWDZBQOSA-N 431.541 0.069 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 513360935 WGZMDFLPKCBKQC-UHFFFAOYSA-N 431.449 0.632 30 20 ICED N#Cc1c(CCCNC(=O)CN2CCS(=O)(=O)CC2)nn(-c2ccc(F)cc2)c1N 518417389 UEEUPRBONKMOMD-UHFFFAOYSA-N 434.497 0.244 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 518961266 UDELQLMSOHORTL-MRXNPFEDSA-N 445.563 0.369 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)C1=O 524460561 MTWOBPFPUNATOX-KRWDZBQOSA-N 428.489 0.713 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 531561564 JCLZAVIKHFKFSY-CYBMUJFWSA-N 427.482 0.285 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 535896058 XDMYNUKHWDNCMQ-UHFFFAOYSA-N 436.896 0.463 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 546708051 SUCPXCAHCSOSQC-UHFFFAOYSA-N 426.433 0.585 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 550544264 SZGKPGSJEPIZHM-OAHLLOKOSA-N 431.460 0.664 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 554690691 QNUDWMVSSHPHOX-NRJQMVOHSA-N 426.473 0.624 30 20 ICED CC(C)(CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 559383718 LTULKWYSZNIYRM-GOSISDBHSA-N 427.505 0.397 30 20 ICED N#CCNC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 561397498 QYBWLQOEPHHUHJ-SFHVURJKSA-N 430.461 0.697 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)C1=O 565824596 PMZLDXPYSUAFRP-GOSISDBHSA-N 428.537 0.085 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 583537232 ZKXZJYRJXNQHFN-UHFFFAOYSA-N 440.547 0.253 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 589455971 YVEXFXLCLKIIDU-UHFFFAOYSA-N 442.544 0.301 30 20 ICED CCn1cc(C#N)c(=O)n(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1=O 590666204 VCJUNQOSIUGVID-UHFFFAOYSA-N 430.490 0.570 30 20 ICED N#CCN1CCC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 609574085 NDWFQJCYOXSDQF-SFHVURJKSA-N 428.541 0.569 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 609749778 WRJIGKAIXANJFQ-AWEZNQCLSA-N 429.458 0.834 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 610799872 FKNVXTSAUXOEAL-UHFFFAOYSA-N 446.554 0.194 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 617091900 SPRDAMWZYRDWSV-LJQANCHMSA-N 433.468 0.703 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C#N)cc3F)CC2)c1=O 725778946 JRDONRKDETVBCN-UHFFFAOYSA-N 426.452 0.334 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cccc(C)c3)c2=O)cn1 732561905 WCUJNEGTONJGSD-UHFFFAOYSA-N 437.525 0.690 30 20 ICED CC(C)[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733157162 QBMGOVLXQVLSRT-GOSISDBHSA-N 435.594 0.894 30 20 ICED C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742665355 ZPCXNESEEKFZJP-PWSUYJOCSA-N 432.424 0.783 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(OC)ccc3OC)c2=O)cn1 743726869 WPFMZCWQCMEHAS-UHFFFAOYSA-N 437.481 0.786 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 747095880 VGWZERZKGHQJDV-GJZGRUSLSA-N 425.530 0.740 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)CC1 747823976 YKDUZEDVFRKJII-UHFFFAOYSA-N 448.545 0.993 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755536637 LIDSOSGTEYBQEQ-ZFWWWQNUSA-N 433.465 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758049105 DDGRVPLAKJAFIG-UHFFFAOYSA-N 438.509 0.157 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 759887400 XPMHHKBDQGQKDQ-UHFFFAOYSA-N 430.442 0.426 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763460545 MASTXHGIQXFRTN-UHFFFAOYSA-N 435.509 0.767 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)[C@H]1CCCO1 773797746 RYGQIKJXFYPSKX-RTBURBONSA-N 448.545 0.248 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(Br)nn2C)CC1 782232986 UCAMZABIXPEXFL-UHFFFAOYSA-N 442.343 0.960 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)nc2n(C)c1=O 786570968 VRIXLONTKWAKJN-LBPRGKRZSA-N 427.367 0.549 30 20 ICED C[C@@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCCCC1 789108749 GRYASGZLZOQHAK-AUUYWEPGSA-N 434.493 0.876 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)n1 790106127 RYHRBNFFKFZBAB-PXNSSMCTSA-N 448.545 0.528 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1=O 799267832 XVVXMOOJKLYDOB-INIZCTEOSA-N 433.896 0.460 30 20 ICED CCc1oc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1C(=O)OC 800847043 JTXADYJWZJCFMW-UHFFFAOYSA-N 447.513 0.526 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274263 ZUPDUZPIVSKJRF-UHFFFAOYSA-N 439.488 0.647 30 20 ICED O=C1CN(Cc2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CCN1 812569203 YSRRERKWHFPAIH-UHFFFAOYSA-N 441.513 0.686 30 20 ICED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813984655 ZDINFKWCAFWALR-ZDUSSCGKSA-N 426.451 0.605 30 20 ICED N#C[C@H](C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N1CCCC1 919665451 YFWGZNIDFUIGEA-GDBMZVCRSA-N 431.470 0.955 30 20 ICED N#C[C@H](C(=O)NC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667330 UZEFRIMVVBHDFN-INIZCTEOSA-N 433.486 0.846 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(C)s1 1292238574 NNEFRDSGXAIEKA-UHFFFAOYSA-N 437.503 0.032 30 20 ICED CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1295075273 OYVXBMRJKREEQY-HOTGVXAUSA-N 439.524 0.637 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359143282 XJWXWZZUVHAGBA-AAEUAGOBSA-N 431.950 0.681 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1359467108 MPUBAUCKPPSBQR-OWCLPIDISA-N 427.575 0.452 30 20 ICED CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1498124197 SPUNSEWFHLMMDH-OLZOCXBDSA-N 439.567 0.879 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1555985632 SMUHZVCWXURMKA-PBHICJAKSA-N 428.559 0.671 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c(=O)nc1O 1563825756 INIJLOQSTRCIHC-KRWDZBQOSA-N 430.440 0.332 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cccn1 1611707739 XIRZTOMQKPREPL-DOTOQJQBSA-N 447.569 0.352 30 20 ICED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1625964555 MFSSFDFEHJKVRO-QRTARXTBSA-N 444.513 0.880 30 20 ICED C[C@H](CC(=O)NCC(=O)NCCN1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1640695376 XRXRJKYDPYYLEB-OAHLLOKOSA-N 435.550 0.222 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](CO)C1 1648914862 PVMHBTIJQMKKMF-KRWDZBQOSA-N 437.518 0.913 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)CCOCC1 1692766018 SOXGWTYUEAIVIO-GJZGRUSLSA-N 427.575 0.737 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1696100365 ZXNHIZHISRZDFA-LRDDRELGSA-N 432.403 0.337 30 20 ICED COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1748813533 QHSSTTVJGGLMAK-HOTGVXAUSA-N 447.517 0.974 30 20 ICED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CC1=O 1749863603 XCBUDXRWGGIDQR-QGZVFWFLSA-N 437.504 0.590 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1750071454 YNRBFCIPNGSDBD-CQSZACIVSA-N 436.567 0.710 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1761238909 YMFXCFIALBHROS-KRWDZBQOSA-N 425.493 0.895 30 20 ICED CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1766074569 OJVJCOWVKSAZEK-OWCLPIDISA-N 425.559 0.349 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715592 QYJPANCJHDJVQP-UCMVZMLTSA-N 442.563 0.284 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1778757954 OIHXFGUSLMBEKL-IDHHARJASA-N 447.623 0.490 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778850537 DNSUWUHEMAFKJH-OAQYLSRUSA-N 439.476 0.100 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1778952928 HRFFZWWLZRCQLG-CISISPDESA-N 439.513 0.053 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1)C(F)(F)F 1779076550 NWYTWFJXZXFJOR-YOEHRIQHSA-N 436.383 0.430 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779103719 XSPPOMZOIDNMJE-HVHIPWAVSA-N 447.492 0.638 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCc3nc(N)n[nH]3)C2)c1 1779245094 PIEWOUOHQCNYJH-FOIQADDNSA-N 426.481 0.347 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1779271953 IQYMHNVPEDESPZ-YADARESESA-N 441.528 0.938 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779287782 JCANAPLZLBWBRT-OPAMFIHVSA-N 426.473 0.458 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)ccc1F 1781300145 KPJKAPRGMSAGQV-NRFANRHFSA-N 441.467 0.403 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781350955 HRSQMIFFXQZQQH-BTYIYWSLSA-N 436.509 0.396 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1781968100 DIHHKRLQVVZVSQ-NRFANRHFSA-N 426.404 0.066 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C4(C#N)CCC4)C3)CC2)CC1 1783126630 NIVLQNBLBVPVRA-AUSIDOKSSA-N 443.592 0.974 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1784019632 MCIXYVKVOPITHG-AUSIDOKSSA-N 430.501 0.728 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784789164 MSUWCOZDOQXDIG-NXOAAHMSSA-N 436.509 0.516 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1785730007 XREMLGMPANYNOJ-KSFYIVLOSA-N 448.520 0.756 30 20 ICED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c(=O)[nH]c1C 1786857955 IUXZTGMMSUWSDE-ULQDDVLXSA-N 444.536 0.262 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788469387 LGRUJYOCHLIFIT-NTLWEQJWSA-N 444.488 0.145 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788472050 NWNBDGCZRUPCIQ-TXJVSEOTSA-N 444.488 0.525 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)c1c[nH]c(=O)cn1 1789294946 KZCHZVQMCCDYGU-SWSUPBTISA-N 442.497 0.864 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789798459 XAQCHTRLSWCMMG-DEPCRRQNSA-N 437.585 0.403 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c(Cl)c1 1790229955 RZJJMBKPQRNWMB-QRTARXTBSA-N 429.868 0.492 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC4(CC3)OCCO4)[C@H]2C1 1790735328 KOBBIHJDFLEXFV-GTAWCEEGSA-N 434.533 0.938 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CNC(=O)C5)[C@H]4C3)c2c1 1790861778 YULOEASSLZLYJZ-DNUAJFIVSA-N 436.472 0.164 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)cc1 1792425071 NHEUENYBVWBNCW-OPMZPASUSA-N 436.468 0.793 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2 1793343456 XYDXLKKPHOPHSB-DCXXXQMHSA-N 426.517 0.923 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)no1 1796418982 YRYUZYFLTQIGPV-FDEKDYOQSA-N 443.460 0.613 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(NC(C)=O)c1 1796744577 QCSINGIUEXDCOL-SFNKJDCFSA-N 430.505 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797368936 FKWMIVQSVQZIGC-JLVBRIDZSA-N 427.461 0.442 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1799390497 WFNNRTMNODANDE-RMRDIRSESA-N 431.493 0.202 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Cl)ccc(Cl)c1O 1799736924 ZFTSHNNHNBRWLF-WRBXQSRGSA-N 427.240 0.990 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccnnc3O)C4)c2c1 1799884508 XPEVEZAELVKINW-FVCICTRLSA-N 433.428 0.447 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800452471 KREJLKALMHZWIC-JLVBRIDZSA-N 443.504 0.470 30 20 ICED NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808261753 OCTPLEHPKCSRPR-MOLFVJAXSA-N 427.530 0.874 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812641902 XQHZIPQLAHEMAX-ZHALLVOQSA-N 426.521 0.505 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1823092174 YVGOBOQGSPSHJR-NWDGAFQWSA-N 433.490 0.781 30 20 ICED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1823884499 UEKGONQDDDYWSI-SFHVURJKSA-N 438.594 0.886 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830678983 GRALZVCNOYRZCZ-LTDXDOBXSA-N 439.512 0.729 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)cc1 1830966880 JTEUHKCSVJMTRS-HSZRJFAPSA-N 435.484 0.855 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC(=O)NC)CCO3)C2)c(O)n1 1831267896 HSIAIWFHSGKWSY-JOCHJYFZSA-N 446.504 0.112 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1831692119 CVRQPRKOMOLIAH-VGSWGCGISA-N 439.553 0.178 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccn(CC)n3)CC2)CC1 1834270654 JLYPNZSXIMDFEZ-WAYWQWQTSA-N 442.564 0.947 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1834735111 JZEGBRCJNUOMLZ-FQEVSTJZSA-N 440.548 0.336 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101580 AHDFSEOBPTZTNK-RUZDIDTESA-N 447.491 0.907 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC[S@@](=O)CC)CC2)CC1 1835654707 QTCJBMJTVPWQMP-ADKRDUOOSA-N 425.595 0.755 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969258 ABQKHZZTWVDKFQ-SJLPKXTDSA-N 430.958 0.947 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCN4CCOCC4)CC3)CC2)c1 1836169682 NHOLALPFQHVFKJ-UHFFFAOYSA-N 442.564 0.794 30 20 ICED CC(C)(C)n1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1 1836175687 LSDRPQYSDMGFHI-UHFFFAOYSA-N 430.509 0.306 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1836280100 RTHAWUYJFYLDNK-XWRADEMYSA-N 432.525 0.514 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1836683460 YHIHOQLGHZOKKB-QHCPKHFHSA-N 442.468 0.099 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1837400240 ADNZQTCIDBPNPY-VGSWGCGISA-N 438.521 0.525 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491296 MQYINJWYYWWGPV-MBSDFSHPSA-N 449.548 0.008 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n(C)n1 1837561492 OMBNUHZHUNIMQN-IQTGRTGDSA-N 429.477 0.511 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837565322 SDXZOGJWNNJWET-OVRHDEQLSA-N 447.488 0.498 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837881264 SDZNOPSSXCFUGC-VKUXZERMSA-N 448.907 0.663 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1)CCO2 1837980078 YYSNHNQWOLKUCR-JOCHJYFZSA-N 447.488 0.670 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)C1 1837987510 ZTAAMBIJBPELKV-OPAMFIHVSA-N 432.521 0.816 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838472626 VAGRDLKKOIYFET-JOCHJYFZSA-N 441.488 0.205 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228782 OTFXWFQBGTZIGM-DJPFJPOOSA-N 440.541 0.549 30 20 ICED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1840022819 GVKQKBBFFMBEAF-KPZWWZAWSA-N 442.394 0.423 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)C1 1840164207 BTSRYDZBEKSBFC-ZFCANOHDSA-N 428.551 0.741 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327599 QYCMGSIXFMXLIW-MBSDFSHPSA-N 429.517 0.854 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840577126 LJCKFQLUZINBPH-HUPWQOHGSA-N 441.550 0.867 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058643 XCXYYDGVRLJRGU-AWEZNQCLSA-N 444.488 0.706 30 20 ICED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1846248708 GUDUJSZMCQFDPC-UHFFFAOYSA-N 436.549 0.958 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1847074353 UKUNYNPABOGZMT-MRXNPFEDSA-N 443.504 0.975 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847511856 UHXKOCQFHUPFCU-HRCADAONSA-N 437.541 0.356 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 21606481 OSBLOXGDLQFDKX-UHFFFAOYSA-N 448.295 0.673 30 20 ICED CC(C)(C)n1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 21731031 HXIAHEGEKRBXEU-UHFFFAOYSA-N 449.562 0.925 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCOC1 441956644 JZJBEWZARMRYMO-MRXNPFEDSA-N 427.526 0.984 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCNS(=O)(=O)c1cccnc1 462023159 OVGABYAWNFOCNJ-UHFFFAOYSA-N 426.462 0.942 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)Cc4ccon4)CC3)C2=O)cc1 462298825 RVFLTUCQUZFEMA-KRWDZBQOSA-N 429.458 0.326 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1=O 467675574 ZWNDODXSDYEEHS-QRQLOZEOSA-N 435.546 0.673 30 20 ICED CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C#N)cn1CCOC 481390033 BPJAYIBLYXAGOO-OAHLLOKOSA-N 443.464 0.843 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CCN2CCOCC2)c1 481434710 LBIOTCMHIQGZEZ-HNNXBMFYSA-N 432.506 0.392 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 482493753 ALKMXDPSAHOVJE-HTAPYJJXSA-N 442.541 0.978 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 484603214 OJUMXPHHNPJLHV-UHFFFAOYSA-N 438.550 0.612 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 490261814 ZDTHFVQRECRRIN-FQEVSTJZSA-N 425.533 0.778 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCn4c(nnc4C(F)(F)F)C3)n2)cc1 491170386 GAZILXIMDVNEDT-UHFFFAOYSA-N 445.365 0.789 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 497781229 XBGGBZMYXYVCMO-UHFFFAOYSA-N 435.531 0.714 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 505374722 HQBDRIMYHUBFLN-UHFFFAOYSA-N 435.550 0.505 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2CC)c1=O 512776079 IEXCTHOVGHQDDZ-UHFFFAOYSA-N 428.562 0.203 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2)c1=O 514645916 OMTBVVIEPIEWGP-UHFFFAOYSA-N 433.505 0.741 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CN(C)CCN3C)nnc12 520311969 BTJARVAALVJDSG-OAHLLOKOSA-N 441.561 0.684 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 522538885 VSGSLOLAWOJQLB-UHFFFAOYSA-N 431.477 0.175 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 527065496 ZPSDFTMDBPWFAQ-UHFFFAOYSA-N 431.522 0.322 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1OC 530960687 NBEXENIHWWSXHY-UHFFFAOYSA-N 443.525 0.839 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)cc1 540013276 VCMURPHQUINLGP-UHFFFAOYSA-N 436.534 0.932 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nccc2c(S(N)(=O)=O)cccc12 543102064 WZVQMTONOZCQDE-ZDUSSCGKSA-N 437.485 0.895 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 556034646 VXWUHDMAMCVVNP-CRAIPNDOSA-N 436.534 0.634 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 561271666 GZVVEFPUSLJPIR-HNNXBMFYSA-N 444.513 0.977 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC1 588124168 XZWJXNOFROPJBD-UHFFFAOYSA-N 429.496 0.533 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 589400923 IRLCHJWWPRNKAY-CQSZACIVSA-N 444.455 0.571 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988002 GZWLOJGHLAFDSQ-UHFFFAOYSA-N 436.472 0.597 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)s1 604269903 IAWPAIUMYXUZJQ-UHFFFAOYSA-N 430.555 0.493 30 20 ICED N#Cc1ccc(CS(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 612054353 XXOIRZNMZMUVKF-LJQANCHMSA-N 441.575 0.599 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)CC1 615634233 WYLCTDRJKSXNOV-IBGZPJMESA-N 437.497 0.415 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3ccc(OC)cc3OC)no2)C1=O 726042249 FVFYKJGPHJETNM-UHFFFAOYSA-N 430.373 0.774 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)cc1 726728319 NIZLXLQEJXNKLZ-HNNXBMFYSA-N 438.506 0.779 30 20 ICED N#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 729549109 HKAIZDFHQPFEIK-HNNXBMFYSA-N 426.520 0.919 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCSCC(=O)OC)C1=O 729818299 OBWSHQDXNLGWFT-CYBMUJFWSA-N 438.531 0.759 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CCOC)c2=O)cn1 732795537 LVOCFGYBFDPLPF-UHFFFAOYSA-N 437.525 0.939 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)CC1 735922923 MKEUEPOXPANAIZ-UHFFFAOYSA-N 437.518 0.074 30 20 ICED C[C@H](CC(=O)NCCN1C(=O)c2ccccc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742575430 QVAGDYWNWFHGFN-CYBMUJFWSA-N 440.481 0.916 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3scnc3C)c2=O)cn1 743726559 QTRGQPRFTCCFDB-UHFFFAOYSA-N 426.527 0.662 30 20 ICED N#Cc1c(N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cccc1S(N)(=O)=O 755003830 HJHYFQGGXOLOGU-OAHLLOKOSA-N 443.533 0.913 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 758472680 JACFBIKOONBLRC-GJZGRUSLSA-N 429.543 0.764 30 20 ICED CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 761068872 BTKORBIJRLFRGW-UAHGDZPKSA-N 438.506 0.896 30 20 ICED Cc1cc(=O)n2nc(COC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)sc2n1 767629048 HBGWJDQCVIOBCE-NSHDSACASA-N 433.471 0.741 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486526 MLRPDUTXFJKTRH-ZDUSSCGKSA-N 433.450 0.963 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)NCCCCC#N)cc1)S(C)(=O)=O 773539840 DBNCWMBYTOHYAL-UHFFFAOYSA-N 432.524 0.784 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(=O)(=O)N(C)C 774531072 SHMZHFNYYROTJL-HNNXBMFYSA-N 445.563 0.965 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774541264 RATATQJMMHWKRA-UHFFFAOYSA-N 440.525 0.104 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H]1CCCOC1 780609520 LYRKSTTWPWGDDV-HIFRSBDPSA-N 443.547 0.909 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 783346604 GNYJCJLZYCCNRJ-ZDUSSCGKSA-N 431.536 0.419 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc[nH]n1 789980412 FAOWIIMDEQDRLN-ZDUSSCGKSA-N 427.417 0.537 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1 798587282 MYAIZEDFCXLRPW-UHFFFAOYSA-N 443.890 0.881 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800849118 VUWKRJTXVBSIPF-UHFFFAOYSA-N 441.509 0.904 30 20 ICED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802522939 GCNNAQCGIDASIX-UHFFFAOYSA-N 427.513 0.401 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 804819760 IWIAGZUWKFBUFA-UHFFFAOYSA-N 443.323 0.993 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 815861260 ZATGJNQBNPIJQL-UHFFFAOYSA-N 440.548 0.877 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCN(O)C1=O 816753917 RVOAEVQVSMPFNS-YOEHRIQHSA-N 441.506 0.647 30 20 ICED Cc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 878423770 LLGUFRXMKOVVKC-UHFFFAOYSA-N 431.474 0.290 30 20 ICED C[C@H](OC(=O)CSCC#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 914684820 YJBUUXWNDOZAIE-ZDUSSCGKSA-N 427.504 0.834 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)o1 915377602 SJDPWNFQOCTDKG-KUHUBIRLSA-N 433.490 0.501 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2CCOC)CC1 916199548 IBYHDMJUUJKQJC-UHFFFAOYSA-N 432.571 0.285 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CC1 917792002 SVQXUPJWKBHZLO-UHFFFAOYSA-N 429.546 0.852 30 20 ICED CCOC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918263238 AIEKCQWWXOCXNU-JWGURIENSA-N 438.506 0.897 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 921131620 KYACFTUOKPZHEK-UHFFFAOYSA-N 432.296 0.671 30 20 ICED C[C@@H](CC(=O)N1CCC(N2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1171870628 VGAGAVDCSDEFLC-INIZCTEOSA-N 433.578 0.742 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301969346 WEXTVFMRXURADT-CABCVRRESA-N 426.543 0.512 30 20 ICED N#C[C@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1341887400 ZGBXQHCKHFOTIV-LJQANCHMSA-N 445.541 0.824 30 20 ICED CN1C(=O)NCC12CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1469279136 JGVXMQIZUXZKJO-UHFFFAOYSA-N 445.545 0.975 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](O)(CC#N)C3)CC2)cc1OC 1469405164 KFEKTHORSQPIFE-FQEVSTJZSA-N 437.518 0.982 30 20 ICED CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503374601 PYPBCOMRKSKVOA-SFHVURJKSA-N 436.520 0.511 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC(C)(C)C 1541921751 WBRAWJKKZFWIMH-CYBMUJFWSA-N 425.559 0.933 30 20 ICED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1615090153 MSVUGAMTAFDKGA-CQSZACIVSA-N 433.538 0.875 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)cn1C 1662713585 LRPFVOVYXAZKKY-UHFFFAOYSA-N 441.510 0.576 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1695960904 VQGKGABIMXTVTL-YLJYHZDGSA-N 446.533 0.486 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1747449698 QUNMDLKUNTUCOJ-MRXNPFEDSA-N 438.485 0.664 30 20 ICED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769109305 FVEUJMMCQUXQHN-MRXNPFEDSA-N 428.541 0.349 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779140220 VJCQNAIJNBGIRS-WASQADBOSA-N 442.516 0.929 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779401358 MZYLQIQUKZOHHA-WOIUINJBSA-N 436.505 0.961 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)c1 1780332084 NLPMOKZUZIJSHI-HXUWFJFHSA-N 427.486 0.821 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1780807031 GYYNDLWIZHASKK-WWEWDKITSA-N 441.525 0.917 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nnc(-c3ccccc3)o1)C2 1782010695 WAJOUXQLZFFFBU-OPAMFIHVSA-N 438.440 0.952 30 20 ICED O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782223476 MYIHJVQZCWSEDL-RNRNXMBVSA-N 440.566 0.790 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(C#N)CCC3)C2)CC1 1783126834 IKTWFTAEFOZZOZ-AUSIDOKSSA-N 445.564 0.358 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783339330 LETLRMDJCHJFIZ-XXBNENTESA-N 430.501 0.929 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785572895 QISNBDKRYLIUJJ-YCRPNKLZSA-N 446.508 0.175 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785707202 HFYZRZRYLAHXMW-MRHSLFKSSA-N 449.529 0.117 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788245552 VIIAWQCOQHKPGV-FHWLQOOXSA-N 438.594 0.049 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788601321 WGLBOOLPDBKOFW-YDYKYGGSSA-N 447.496 0.243 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1791439846 YSPVVMZAZBAMMC-AAEZLKGMSA-N 434.562 0.962 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)cc1C#N 1792286793 UJFDOPRNSRXUFF-IEZWGBDMSA-N 443.504 0.607 30 20 ICED O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793161769 ZLMNECLGBFOJEU-CWPLJXCYSA-N 431.876 0.733 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793386872 SKQJETGBVXXUCI-PIKOESSRSA-N 432.590 0.927 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)NCC(C)C)C3)c(O)n1 1794490031 PABFYLFKCBJXOC-HGKCTWBKSA-N 444.532 0.881 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795077597 PYRVJXIIZCMJRR-KMWNMMNJSA-N 448.520 0.373 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795677814 MXDHVYYAQPSOLL-AJYBTWMASA-N 428.537 0.343 30 20 ICED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)[C@@H]1SC(=N)NC1=O 1796044633 OIBWJNAGYYETPL-QMIVOQANSA-N 434.566 0.709 30 20 ICED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)C(F)(F)F 1797780618 DLBIMSSBRFURDE-KPEUIFRASA-N 432.439 0.588 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798765254 ZCEFSJWUCWMNMV-XOGJXXCJSA-N 444.488 0.160 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)cc1 1801116211 NTULIAHALSIVPS-FEJSZKPUSA-N 436.468 0.005 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1803550398 NAVQFWGONQIIHW-SIXWZSSISA-N 436.472 0.328 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803556382 HVAAWYXDLKUQEF-DYESRHJHSA-N 443.504 0.622 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)O1 1803647361 ZYFNHJUQOOZWKT-OOPQWDFXSA-N 445.476 0.725 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3nc(CO)[nH]c3c2)[C@H]1c1cccnc1 1809113091 BAQJRDXMJGBZNS-OPAMFIHVSA-N 447.451 0.858 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810249713 ODBUHQCPUMEHPT-VNTMZGSJSA-N 446.548 0.311 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)nc2)[C@H]1c1cccnc1 1812527004 VHULAPJAALNYPE-JXFKEZNVSA-N 426.498 0.974 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)CNC(N)=O)[C@H]3c3cccnc3)c2c1 1814227161 AHROQSISEMWWFQ-FOIQADDNSA-N 446.471 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 1815438966 VSYVZQYSCRULOZ-CKXPSTMWSA-N 441.513 0.775 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)n[nH]1 1819429424 KXGOHOMPLWNGLB-JEBQAFNWSA-N 448.476 0.935 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819906252 CZVUSOWJYNOCAQ-YDTATZAISA-N 437.522 0.307 30 20 ICED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1820192833 TZTNOMDEFTZFNV-SWLSCSKDSA-N 430.490 0.720 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)ON=C(C)C)sc2C1 1823086232 ZIAZNCYVGZLPLD-XMZIXOGTSA-N 441.510 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826985995 CNMQMNOYJCLNTC-NEPJUHHUSA-N 433.494 0.812 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955719 NRJQWYLYACLTJS-JPYJTQIMSA-N 442.516 0.436 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1829762710 OEDIPNOIKMGJTP-LXHZQTKUSA-N 444.488 0.480 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1831402198 QFYIJAIAJCBMPN-KOSHJBKYSA-N 442.512 0.659 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831490811 LXQWMKYYLTYYSX-XLIONFOSSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831497225 AXEDFQUEHCVWJR-YWMUFLPLSA-N 436.578 0.925 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncc(C)c3)CCO2)C1 1832952523 GGNRFRDRMIIZOU-WMZHIEFXSA-N 429.517 0.817 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833671523 WSUVWSKMATXCGQ-PDEZOQIOSA-N 436.488 0.399 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)c(O)n1 1833700064 PWJNMLDLNQNCSF-AOMKIAJQSA-N 446.504 0.110 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1833705517 CYGNPKWZQXPNMV-GOSISDBHSA-N 442.582 0.542 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834239668 XWEABOWECKSZCJ-JOCHJYFZSA-N 449.471 0.552 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100416 RMRDOPVZJKJKFV-XMMPIXPASA-N 448.479 0.528 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835212901 VOOGUHHQAAADCR-AUUYWEPGSA-N 431.555 0.628 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835667180 PACNEGIBTWHLID-KRWDZBQOSA-N 447.584 0.464 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835702418 CRYRBCUPCJOYDG-NZQKXSOJSA-N 435.484 0.723 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835767978 FIPRAENTEPOAPF-ODAUKNCYSA-N 440.541 0.096 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCC(=O)NC4)CC3)CC2)c1 1836167986 WPVRZHCHYAQRIM-MRXNPFEDSA-N 426.521 0.598 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1)C(F)(F)F 1837077580 HBCMHNMCROZOQI-UHFFFAOYSA-N 446.426 0.655 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837233548 CRNLZXWZZLVUNI-JPZYQRIQSA-N 447.557 0.716 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837305127 PYFFGBVOKPSSLG-YCRPNKLZSA-N 432.477 0.726 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837398627 GMPJPKHDEOZCSQ-HTAPYJJXSA-N 443.504 0.372 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4nonc4c3)CC2)CC1 1838213698 PFUYHBABZAHWCM-UHFFFAOYSA-N 426.429 0.923 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3SC)CCO2)C1 1838280511 MFHQBWWHOMVRKW-IERDGZPVSA-N 433.530 0.912 30 20 ICED CN(CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)C(=O)C(=O)O 1838551114 YAKXHTHTHGVURN-UHFFFAOYSA-N 445.476 0.042 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1838581874 TWUVXCCLYMVKCZ-JOCHJYFZSA-N 439.472 0.603 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnc4)C3)C2)c1 1838732529 VENJDTBSJJHZGQ-NRFANRHFSA-N 425.445 0.430 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)cc1 1838951138 ADXQWRVCWQOSEG-HSZRJFAPSA-N 446.467 0.985 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)cc1 1839362421 RRBLQTQPVMPHQE-QHCPKHFHSA-N 442.516 0.155 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1)C(F)(F)F 1839894720 MZNYSAAVBHEIQA-HNNXBMFYSA-N 426.413 0.379 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840168997 CYKVHSLTTGYUOE-JOCHJYFZSA-N 425.489 0.532 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203407 ZYZMXDYPJVWXGL-DNVCBOLYSA-N 447.454 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841401090 UMAWZSSAPXWQDH-KRWDZBQOSA-N 437.496 0.843 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1841582290 PYPGSZYYXQYMNA-AWEZNQCLSA-N 436.509 0.771 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847784620 KFPMCEHCKQHHIY-LXSFEGPWSA-N 430.527 0.045 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)cc1 111223616 NPVNFMJGIKCZBV-OAQYLSRUSA-N 447.605 0.994 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 410158143 DAGJUMVUJKAWEI-GJZGRUSLSA-N 430.433 0.842 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 427687327 VHUJALKCXPZKRE-UWVGGRQHSA-N 426.376 0.671 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)n1 441673414 YVMLOPBYXAVTNI-OAHLLOKOSA-N 445.277 1.197 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1 441748281 FPCUMBGTVVWRMC-OALUTQOASA-N 437.504 0.962 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCOC1 441952725 MQWSQSSSVDQQHS-OAHLLOKOSA-N 442.497 0.884 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441954266 OUTLODFMCGAPDX-CQSZACIVSA-N 431.539 0.370 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443288579 XBNVPZZYRVXDRK-LBPRGKRZSA-N 434.396 0.936 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 447277236 GHULLQUJADSPCR-UHFFFAOYSA-N 431.489 0.899 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)cc3c2OCC3)c(=O)n1C 462436858 MFJRQTQOWFNWQJ-UHFFFAOYSA-N 446.326 0.949 30 20 ICED COC(=O)c1sccc1N1C(=O)C[C@@H](N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 472095773 PVQVHPITRBKSRF-OAHLLOKOSA-N 442.501 0.902 30 20 ICED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 473577258 MYRONMSFCHXPSG-QGZVFWFLSA-N 436.925 0.983 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 480998069 KWXMZCLVDXTJSS-ZDUSSCGKSA-N 437.503 0.867 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 481769953 VMBZQQFXPXHQEA-HOCLYGCPSA-N 427.523 0.920 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccncc2)c1=O 484488161 LCJSNQZGNPAWKW-UHFFFAOYSA-N 444.582 0.810 30 20 ICED CN(CC(=O)Nc1cnn(CCN2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 487257200 HJFBDZXLOIGVQH-UHFFFAOYSA-N 432.506 0.346 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(-c2ncccn2)n1 488648299 QSNIFEJBCFHRNG-KRWDZBQOSA-N 444.455 0.698 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 489043243 QISKQNYEFULKLG-OAHLLOKOSA-N 445.566 0.412 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 489133739 WKGAEOUAHNWORW-UHFFFAOYSA-N 426.542 0.190 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 505803355 VKKOCAZBOFOHDL-UHFFFAOYSA-N 438.492 0.430 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 511232575 HSYZYXUFGOLIQN-WBVHZDCISA-N 429.564 0.989 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 513039365 ADHHWPIPIMTLFA-QGZVFWFLSA-N 427.486 0.660 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O)c1ccccc1 522121191 ZAKLPWKPYRENME-UHFFFAOYSA-N 436.468 0.700 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)n1 538079299 OUJXJWUPSFUYPR-UHFFFAOYSA-N 429.525 0.605 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2=O)cn1 541145558 JKICWFSZBCXOJQ-OAHLLOKOSA-N 436.407 0.477 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 555921904 SCBKPEVLZVUWLE-ZDUSSCGKSA-N 428.424 0.941 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 557431775 WLRJCLMRWKDETF-HXUWFJFHSA-N 427.549 0.071 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 560981866 AQKGNKZLCIUVFW-UHFFFAOYSA-N 435.488 0.162 30 20 ICED Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)c1 576307682 VNUSATZESFGGHS-HXUWFJFHSA-N 446.511 0.828 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 577682030 LNVGZKSPGKEXKR-SVFBPWRDSA-N 444.532 0.174 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 579412582 UMBKCLLFJKZDKU-IBGZPJMESA-N 441.513 0.925 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCC)C(=O)N2CCc3sccc3C2)C1=O 589078124 CBSWMGAAZMIPGC-CQSZACIVSA-N 432.502 0.895 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590983178 HTHQMUXHASLJRK-UHFFFAOYSA-N 433.873 0.191 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 609739283 QPLLAHFYBBDPSS-UHFFFAOYSA-N 430.505 0.473 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 610807165 OEZPCBHWQQADEY-LPHOPBHVSA-N 433.578 0.852 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)c1C#N 616004181 AYLCWBIWPHFYQB-MRXNPFEDSA-N 426.481 0.263 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1C 618460650 CXJXZCVLPLSHEY-UHFFFAOYSA-N 440.525 0.097 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 727165344 YRVLBNXDOZHBIG-UHFFFAOYSA-N 432.527 0.274 30 20 ICED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)c1C 728556930 AJXUXDTWSXRCJZ-UHFFFAOYSA-N 446.573 0.650 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 732466428 NUYPLBSFMACHLL-FMQUCBEESA-N 445.451 0.585 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733050024 REBDEVSLSHZYIO-UHFFFAOYSA-N 430.433 0.886 30 20 ICED C#CCNC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 734044018 PGFVNAYOKDUIQT-UHFFFAOYSA-N 436.380 0.336 30 20 ICED C[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742603324 HWVANZSGAOMEHF-INIZCTEOSA-N 433.534 0.578 30 20 ICED COC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C(=O)OC 742917302 ZHOBMXSEAOHLFZ-UHFFFAOYSA-N 431.426 0.937 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)nc1 749029363 WLHSQYANPGSOEZ-UHFFFAOYSA-N 435.488 0.822 30 20 ICED COCCN(C)S(=O)(=O)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 757329423 HJHYBYIHCDWCNQ-UHFFFAOYSA-N 437.478 0.962 30 20 ICED Cc1ccc([C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)o1 758846808 QTHVOZINGYDDFR-INIZCTEOSA-N 432.502 0.816 30 20 ICED C[C@H](CC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 769733321 NRYCCVKHVCURMA-ZIAGYGMSSA-N 427.548 0.929 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 771245482 QXOOGJIKEWOOQE-AWEZNQCLSA-N 437.478 0.605 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(OC)c3)c2=O)cn1 772277649 QGPVEIGBSGCRGJ-UHFFFAOYSA-N 433.493 0.986 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 776593425 XBJLTEDLWIKTLQ-UHFFFAOYSA-N 446.573 0.363 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785407423 RZKCMWQTUXGNHZ-LBPRGKRZSA-N 425.463 0.734 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ncnn1C 789615709 ZSUXGWFVDRNZHI-AKVJFXEFSA-N 433.494 0.444 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)n1 789788240 FOLKACSJDHLDMA-UHFFFAOYSA-N 448.483 0.786 30 20 ICED N#Cc1ncn(CCN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 795183932 NJJXTUYDECLAII-AEKNLGIRSA-N 438.517 0.756 30 20 ICED CS(=O)(=O)Cc1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cs1 795329026 YTUWVMUNCOGKGY-UHFFFAOYSA-N 429.501 0.581 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 799933937 GVYKGFBWOIJMMV-CYBMUJFWSA-N 449.504 0.358 30 20 ICED CS(=O)(=O)c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cn1 803268204 RQSSORMXDXYXKS-UHFFFAOYSA-N 437.455 0.061 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)CC1 807552162 PPMOXSWKUKFZRF-OAHLLOKOSA-N 436.513 0.127 30 20 ICED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1 807586005 AQGFTXDDFJSEFD-IBGZPJMESA-N 432.484 0.832 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 816129286 QRXXJQKDKGBRPU-JKSUJKDBSA-N 448.457 0.713 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1=O 914459815 OJXDEYWBPFROJF-OAQYLSRUSA-N 444.492 0.948 30 20 ICED Cc1cc(=O)c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(Cl)c1 1122406164 DLZCGKJLFIMPNQ-HNNXBMFYSA-N 448.888 0.774 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCN1C(=O)C(F)(F)F 1143087710 OVNAJNMXFXWTLS-LLVKDONJSA-N 432.424 0.785 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)CC1 1319811901 NWEAMBHRFHTGRG-OALUTQOASA-N 432.546 0.892 30 20 ICED CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1321570056 UOJYWFBDLFOJKC-KRWDZBQOSA-N 440.481 0.917 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1 1508243350 SERJUEKVXUEMNI-HNNXBMFYSA-N 445.549 0.765 30 20 ICED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516852026 NKVNPXFKHSSIFW-UHFFFAOYSA-N 444.565 0.763 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1540823732 VDMKGXQCBCQOHQ-NSHDSACASA-N 444.307 0.509 30 20 ICED COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555235980 XASAFNIWHZFRAU-OAGGEKHMSA-N 439.524 0.888 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1620168212 YVJQPKFWQCSOPI-MRXNPFEDSA-N 443.533 0.425 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1620172023 QUTYVUWUVBWMGS-SFHVURJKSA-N 446.533 0.750 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1662420487 VGKYLWJMXKEWIT-KRWDZBQOSA-N 431.511 0.654 30 20 ICED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1692473392 SFCIHOYMZCDUMH-HZPDHXFCSA-N 427.575 0.690 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1698059202 UHHFJUGDPWBPFF-YWZLYKJASA-N 429.481 0.832 30 20 ICED CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698321045 SNEWKBLWFYSMGG-UHFFFAOYSA-N 443.577 0.974 30 20 ICED CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCOCC1 1766908485 QTLRAHSXOZLVLG-UHFFFAOYSA-N 439.520 0.776 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1768293686 NCKZDJRPQOMPRY-YJBOKZPZSA-N 448.549 0.996 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951770 LAKAYQQFVAJRPU-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779019643 SGQFUCZEZSXLSC-IIHIVLJSSA-N 425.493 0.645 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cc1 1779104812 FJGQEGAOVZREBK-GIFRWZEPSA-N 444.488 0.758 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780070336 ZXXRJPBHPNOMKU-FQEVSTJZSA-N 443.533 0.812 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NC(C)=O)CCO3)c(C#N)c1 1781171179 LDIQUEMVTWBFRG-HSZRJFAPSA-N 442.516 0.854 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300309 NGZMTVUXEFEDOJ-IVZQSRNASA-N 445.495 0.777 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c(OC)c1F 1781951462 LIWJGWYOTDKDKG-HXUWFJFHSA-N 438.383 0.514 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1782185899 CYYLOJDKCHUORQ-MBOZVWFJSA-N 427.567 0.632 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1782357992 AZZKQNWUIFQEQP-IIBYNOLFSA-N 441.492 0.134 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1783146416 CWWVOXRAHKYEGY-WMZHIEFXSA-N 427.501 0.855 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccnc4C(N)=O)C[C@@H]32)cc1 1783604271 FDGQEMIXINVFGS-IHPCNDPISA-N 447.495 0.888 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cnn1C 1786185222 XOWQPFAXJDTEAW-RPIBZSIZSA-N 433.509 0.851 30 20 ICED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786746136 LTCDPMQLAUKKRL-ACRUOGEOSA-N 447.576 0.387 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nnc(Br)n4c3)[C@H]2C1 1787149613 SQDVGFWGCXMRFF-IHRRRGAJSA-N 432.278 0.718 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660597 ZKKPMOBGHKKPFD-XGTNLFOVSA-N 446.504 0.508 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ccc(F)cn5n4)C[C@@H]32)c1 1789346436 UNXBPFUCFKZGQC-QRTARXTBSA-N 437.435 0.975 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)cc1 1790141836 PRBVPARSOXWIQP-FHWLQOOXSA-N 426.473 0.798 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790572197 XWJCDYGHDBFIIY-YHUYYLMFSA-N 426.583 0.023 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc4cccnc4cc3F)C[C@@H]21 1791077964 ALKQTMKDXJSJMT-KNBMTAEXSA-N 439.443 0.984 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1O 1791078100 JRWDOFCFAUKWSU-MPGHIAIKSA-N 429.429 0.032 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792132309 DYFZESJXCHEOCY-BZSNNMDCSA-N 430.505 0.431 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(F)nc1 1794016395 JPPCHELDYDYQFI-TXFQXBMRSA-N 430.480 0.601 30 20 ICED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794088837 PWWUZFUNVHVGHP-BCDXTJNWSA-N 427.567 0.338 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)nn1 1795599479 LIGCHMZDHQBJBE-JLVBRIDZSA-N 430.509 0.360 30 20 ICED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795995212 WLAFBIYSHFOGMF-QHBPRCKVSA-N 449.393 0.916 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797171859 ZTESFYYLIDQULO-VPTLXERWSA-N 444.557 0.849 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797366070 OVCFRLYXUUUMOI-SCAQPMJSSA-N 425.493 0.214 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538476 GNTZHTLDZDQALS-ZJOBFFGXSA-N 425.441 0.063 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810221 LWIGTRJSTRSJRS-ZCABQLJVSA-N 443.522 0.011 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1800220651 ZMQBOWSDLBZJQY-WCXIOVBPSA-N 428.555 0.851 30 20 ICED N#Cc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)cc1 1802582354 YRGXCMYSGIMPTR-BESBDSHLSA-N 433.512 0.925 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2(C(=O)OC)CC2)[C@@H]1c1cccnc1 1812682328 FKGDYULRJQRSSZ-RJARYPFESA-N 440.500 0.899 30 20 ICED COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1813265324 QABGCTIFNXEEAA-SJLPKXTDSA-N 430.509 0.725 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814323579 HPZHPXFCVWCHCD-OKNMXZPGSA-N 444.535 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1823743251 AACBMAVVNYCXGS-VXOKQSJXSA-N 430.549 0.991 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829627449 DFRRYUIZXPBSIH-FYYLOGMGSA-N 429.517 0.964 30 20 ICED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)C(=O)C(=O)O 1829780693 ZNGHMZXNEWBHNP-QGZVFWFLSA-N 429.477 0.663 30 20 ICED CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830016653 CHJXJBXSFPFSQY-PDRBGEHDSA-N 427.498 0.397 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470473 WYANMONVZRUMSN-HRAATJIYSA-N 433.892 0.282 30 20 ICED O=C(NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831222581 DXKVWHHJFCBAJA-DEOSSOPVSA-N 439.512 0.676 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831225774 ZUYOMNRJZRRLED-DEOSSOPVSA-N 440.496 0.886 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831388783 XHUCOLOKQXYPPX-VGSWGCGISA-N 432.473 0.266 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831396020 GYZYOMJMGPWNCF-NSDLYDKDSA-N 437.493 0.010 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831402340 VNXQHFLXTIHMEN-IIBYNOLFSA-N 439.509 0.006 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1831402723 PXAYMADHBOXVPX-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1831421963 XJRVLELEOQMELY-IIBYNOLFSA-N 434.493 0.536 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831490737 KGZZAHRDRUGCME-FXAWDEMLSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370931 NACXOGUSBDLDBT-QFBILLFUSA-N 426.539 0.005 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832730013 SDUKMLBTIOBOOG-JTSKRJEESA-N 430.505 0.480 30 20 ICED COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1832909247 VODWJTVXDGMVMZ-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CSCC(=O)OC)CC2)CC1 1833476227 HGVZCEWIYSOYKO-MRXNPFEDSA-N 439.578 0.503 30 20 ICED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1833768564 KIMKWBWOVLGKJB-KKSFZXQISA-N 434.493 0.961 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cc5n(n4)CCNC5=O)CC3)CC2)CC1 1834598682 UUABUWUQRDAVFJ-UHFFFAOYSA-N 439.520 0.115 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752641 WUMFFTPJEIRGLN-SFHVURJKSA-N 446.592 0.781 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836927240 SQEBVUIAJPTCHT-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1837403085 NMBSXPCAEUBBDI-AUSIDOKSSA-N 448.564 0.920 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837443435 BCHXFGROISBUIT-FOHOANQFSA-N 447.580 0.255 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524621 KTMZUYAUGMURRP-VQHJOYQZSA-N 434.493 0.624 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838100095 UAXRQSBIFNWCTL-JOCHJYFZSA-N 440.456 0.955 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838349326 IYMSQAAPHYXATC-IERDGZPVSA-N 434.493 0.128 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474139 BIIDTHOCCOVAHX-JXFKEZNVSA-N 437.518 0.835 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907136 AZYQWCLFRWJYOH-UZUQRXQVSA-N 442.516 0.933 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1839174447 CDDNWCZUAGUZPO-QFIPXVFZSA-N 448.520 0.791 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839228721 MRURLBFKIJBBEG-KKSFZXQISA-N 441.525 0.833 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839866279 RSXUHANBWPPXNL-KSFYIVLOSA-N 428.489 0.649 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840181028 NDXVTIHIOIOSIO-FGZHOGPDSA-N 445.472 0.244 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840292140 YLAFJXXIYYQLFO-HSZRJFAPSA-N 442.516 0.461 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840922580 WEVOCVZERJTBJL-BTYIYWSLSA-N 429.477 0.052 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1841628373 XBUOJLAGGRXABJ-ZFWWWQNUSA-N 442.582 0.913 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1845512806 NJMCSOYEVNPEKF-AWEZNQCLSA-N 449.389 0.992 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 12826505 KPJSQACOIVPMCK-UHFFFAOYSA-N 440.547 0.063 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)n1 437764268 YEBVBMYTLNQZNX-UHFFFAOYSA-N 437.504 1.229 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C#N)ccc2C)c1 439360601 RKXOBONAWUNYHL-UHFFFAOYSA-N 429.458 0.468 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)C1=O 440271930 SUJVAWLVVOOPEM-OAHLLOKOSA-N 438.506 0.641 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 441912554 UFJYBXBJTPKUGG-HNAYVOBHSA-N 426.473 0.790 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 443465922 HYOZNXXTVQQKRN-HNNXBMFYSA-N 445.542 0.078 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 445184210 CTYISOZEHLTZDI-DLBZAZTESA-N 425.445 0.824 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445184901 FCDWYATYRJLYKV-HOCLYGCPSA-N 431.836 0.861 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1C[C@H](C)O[C@H](C)C1 460595922 FBIJHVAIRPSXAC-IYBDPMFKSA-N 425.493 1.001 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCOC[C@H]2C#N)c([N+](=O)[O-])c1 464794439 LVVBBIJZMMABQE-CYBMUJFWSA-N 426.451 0.755 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(CC)o2)c1=O 471199393 OWCFZFSYYLTXKY-UHFFFAOYSA-N 447.538 0.011 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCSC 474346099 PIXGHOPWHZRUOB-UHFFFAOYSA-N 432.571 0.632 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481430380 GKQDEXWZQMSKAL-MRXNPFEDSA-N 435.550 0.238 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 482427197 WJAFSJRMYGKLBZ-XJKSGUPXSA-N 430.490 0.189 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 489188139 LTMCFEBXDAPFSD-QGZVFWFLSA-N 444.517 0.186 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 490284352 LFWCKTGGZJNXPL-JWRCQZCYSA-N 449.558 0.959 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCN(C)CC1 490769352 LJEBOYQKWSXVFK-LJQANCHMSA-N 438.536 0.525 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1C 502050053 ITGJWXOARRDTRZ-UHFFFAOYSA-N 442.360 0.927 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 503431003 DCYDBDRNHOSJJB-LJQANCHMSA-N 435.569 0.398 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504700234 XUALOUJWONHJEW-IRXDYDNUSA-N 447.517 0.694 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1 504721792 RKQOUQAAXXXPQQ-UHFFFAOYSA-N 436.472 0.772 30 20 ICED CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 508088721 LADLYKHVUXTZAH-INIZCTEOSA-N 433.577 0.940 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 515892859 UHFCIJVLAJRCQF-UHFFFAOYSA-N 443.441 0.938 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)c1 519058720 NFZWVBKXCZHVPE-UHFFFAOYSA-N 446.558 0.981 30 20 ICED COc1cccc(-c2nc(=NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)s[nH]2)c1 527088399 OODAFDIQGBVQHB-UHFFFAOYSA-N 440.489 0.842 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 533238658 AAJMJACKWCBQNF-UHFFFAOYSA-N 440.957 0.260 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)c1C 536427951 UMLWHXSLRMHRDD-UHFFFAOYSA-N 432.506 0.743 30 20 ICED C=CCNC(=O)CNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 537488807 DHXXIESOTDPYTH-OAHLLOKOSA-N 445.545 0.963 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cccc(S(N)(=O)=O)c3)CC2)o1 543063143 KURXBPBUMBZOTN-ZDUSSCGKSA-N 432.506 0.502 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccco2)c1=O 548822042 ZZVUJOALSPZVAJ-UHFFFAOYSA-N 430.530 0.206 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 553047334 MXSGUWCRUHGJQI-UHFFFAOYSA-N 448.527 0.415 30 20 ICED C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555243192 KPOWTSBADUHRRA-GFCCVEGCSA-N 434.298 0.759 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 555249465 NZSWWUPVBOXZIK-JKSUJKDBSA-N 441.602 0.501 30 20 ICED C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(N)=O)C1 555257791 XAFSFJFWJDVQTP-CQSZACIVSA-N 433.538 0.813 30 20 ICED CC(=O)NCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCSCC1 558862694 CNFPNPKZSNHAAB-UHFFFAOYSA-N 434.566 0.837 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CCN2C1=O 583595241 JOAOFKQFNXJSBX-OAHLLOKOSA-N 436.476 0.682 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2)CC1 588236382 LBOZHZCAPALGMS-NRFANRHFSA-N 438.576 0.487 30 20 ICED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869880 UITCAJQPBFAMPI-QRWLVFNGSA-N 439.516 0.539 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 590908877 MPRRKLDZBNHIII-CYBMUJFWSA-N 430.486 0.882 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 603793581 YYXSMYJTWONXOW-UHFFFAOYSA-N 448.504 0.664 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2)c1=O 603795384 NJOFALHOUBNDAE-UHFFFAOYSA-N 433.505 0.741 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 604168917 MCVFRUIJOSUMGS-UHFFFAOYSA-N 443.467 0.846 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608981401 JHZLUALXZXJZHJ-UHFFFAOYSA-N 435.531 0.809 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609816517 AWPQKAARDPOZNW-UHFFFAOYSA-N 438.506 0.103 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 610358257 WHRJZCOMANIJCJ-UHFFFAOYSA-N 442.541 0.172 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2CCO 612202257 IJHXMPQXSLDJJS-MRXNPFEDSA-N 427.461 0.905 30 20 ICED COc1ccc([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)cc1 732440063 XCRZMOLABULDOU-OQLSDQBISA-N 443.504 0.894 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(C)cc(C)c3)n(CC(N)=O)c2=O)cn1 732565074 VCSKWQQGCAFKMK-UHFFFAOYSA-N 435.509 0.614 30 20 ICED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908714 PTMZOADUWGPYCI-INIZCTEOSA-N 439.515 0.051 30 20 ICED CN(C)C(=O)CN1C(=O)C(=NNCCS(C)(=O)=O)c2cc(Br)ccc21 733203947 FGJGFKPWWHTZQH-UHFFFAOYSA-N 431.312 0.222 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 746762314 XDXAPWBDJIWNPF-TZFAWSOVSA-N 447.473 0.466 30 20 ICED Cn1cc(C(=O)NCC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 750842594 GYXRQDSAINSACZ-UHFFFAOYSA-N 444.517 0.127 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 756894111 LNVBRELFVJURQK-VZSXATARSA-N 432.477 0.414 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758061134 VPSUQNZTLJQFAG-HNNXBMFYSA-N 444.538 0.117 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)n1 763298491 CTHXRDNQWAVBPF-UHFFFAOYSA-N 428.514 0.475 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 767628160 DEUCNZZQMDUMMB-SECBINFHSA-N 436.368 0.156 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CCO)c1 779522406 UFLLZYKYHGCBOT-HEHNFIMWSA-N 440.522 0.031 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(O)nc1=O 780216950 FVCIXUZZJQZLHV-QGZVFWFLSA-N 443.460 0.833 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1nn(C)cc1[N+](=O)[O-] 780333949 MVKMDTIBPJGEMK-UHFFFAOYSA-N 440.372 0.865 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cn(Cc4cccnc4)nn3)nc2)CC1 783810959 DGNAICNNVAEDIO-UHFFFAOYSA-N 441.521 0.499 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 785006805 TXVXFAOUYXLDPY-VERWNPAXSA-N 449.533 0.598 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)cn1 785132002 SJTSTTKAKOHSPN-CQSZACIVSA-N 431.250 0.807 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 785286577 OIQXXPVUUSXTAG-OTRWWLKZSA-N 432.404 0.728 30 20 ICED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)NC1(C#N)CCC1 787563514 HJQHRQYRYQCTSX-ZDUSSCGKSA-N 439.465 0.954 30 20 ICED N#CC[C@@H](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 793102512 DTAOSCMMWVFUQX-ZWKOTPCHSA-N 439.559 0.735 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)s1 796804363 BEUWBYSEIJMDOV-UHFFFAOYSA-N 428.517 0.615 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797675156 BFHVVWMAXCBPGA-MSUUIHNZSA-N 434.478 0.514 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 807067003 SHLPQFMONZKBJC-IEBWSBKVSA-N 449.511 0.900 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)nc1 808615009 RSPZOAOANHEUOD-IBGZPJMESA-N 434.500 0.831 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)o1 915380047 QMKBIUYYEIXPML-UHFFFAOYSA-N 447.473 0.316 30 20 ICED C[C@]1(c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)NC(=O)NC1=O 915650326 YCACARDMJYJQOV-LJQANCHMSA-N 427.442 0.418 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916867738 GGCLRYYMQLQVEL-JKSUJKDBSA-N 440.522 0.944 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116666241 FYXWNZLNTPRVIT-FGTMMUONSA-N 430.461 0.700 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCS(C)(=O)=O 1305122196 MJPGSKUGSDZSFU-CQSZACIVSA-N 432.554 0.997 30 20 ICED Cn1c(=O)[nH]c(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c(C#N)c1=O 1307096703 IQPGTLTZOKAFMJ-UHFFFAOYSA-N 438.271 0.980 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1315745327 XLXYBBCFKGCXEN-SFHVURJKSA-N 428.493 0.773 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1316343589 LKFQMXZPXBJTSL-KRWDZBQOSA-N 428.518 0.966 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1 1325077868 UJVYROBLHXUGHI-LJQANCHMSA-N 440.504 0.833 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNS(C)(=O)=O 1328178691 WYFMOWRZZLUJSS-CQSZACIVSA-N 430.552 0.147 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cn1 1471718394 VMXNARSOZRNAMF-IBGZPJMESA-N 438.463 0.344 30 20 ICED COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1504907314 UGWJQHNQFBDOMK-SJLPKXTDSA-N 425.493 0.488 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1505145792 SIBHAHCIYYNBHH-MRXNPFEDSA-N 429.506 0.177 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1612654400 UARRRGJMIWBYOI-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED Cc1sc(=O)n(CC(=O)NCCn2cc(C#N)c(O)nc2=O)c1-c1ccc(F)cc1 1646149034 ZUTTYXYPVCTKBY-UHFFFAOYSA-N 429.433 0.975 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)n1C1CC1 1652152658 XAOOSEBHQQWXMC-UHFFFAOYSA-N 429.521 0.676 30 20 ICED Cc1cc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)cc1N(C)C 1678199726 RJDPXEYBLQCNAT-UHFFFAOYSA-N 426.481 0.427 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(O)c1 1692792784 FEQONKQWAFDHCX-WMLDXEAASA-N 445.549 0.819 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)O 1708152886 JYSZNYPAPISTEL-HNNXBMFYSA-N 439.524 0.548 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)NC(C)C 1744689334 SSFJAXPVFOMILU-UHFFFAOYSA-N 449.585 0.409 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779016878 RRGKTRLLQYVUIT-IYHCKTHZSA-N 432.550 0.870 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779398734 YIQDLDOEYYGQPN-YCRNBWNJSA-N 445.560 0.725 30 20 ICED Cn1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(C(F)(F)F)n1 1779706344 KYBXJVLHDJPRLG-FZKQIMNGSA-N 442.394 0.654 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cnnn1 1781302231 LOJCZWSAEQONAX-XOBRGWDASA-N 427.440 0.317 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1781967044 OIYMEUNNMVPMBF-PXNSSMCTSA-N 435.477 0.718 30 20 ICED CN(C)C(=O)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1783085755 GZVWLRWNMLXFPK-WZONZLPQSA-N 441.484 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]c4nccc3-4)C[C@@H]21 1783531329 RIMBUHBPJANULS-WZQUAZHUSA-N 437.500 0.966 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783888826 CHBBJQLSZWZYOV-IQUTYRLHSA-N 430.571 0.377 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1786859803 JFFASPOMJKQGSY-SZMVWBNQSA-N 444.536 0.541 30 20 ICED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788888563 KYPNYFQHDUZVGL-YKACFKABSA-N 441.444 0.480 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)[nH]4)C[C@@H]32)c(C#N)c1 1789841529 SMICAZLFJZIJRT-FNHZYXHNSA-N 439.472 0.832 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789952818 UEKHVWWCYNBEOF-WOYTXXSLSA-N 446.570 0.095 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)c1 1790226734 PFHKVYCQPXOLNL-IEZWGBDMSA-N 439.447 0.548 30 20 ICED C=CCO[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 1793355517 KBLMWSWBEFTVNV-UHDSXZAQSA-N 441.525 0.053 30 20 ICED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)c(C)n2n1 1796926219 KLKAWFRGZIOHSB-CCWDJLKJSA-N 434.460 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CCN2C 1797016899 ZZLZGMOFNZOURB-OUBXJXCTSA-N 438.528 0.741 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818588 SXLZJDYMOGCGCK-YXSRQCCNSA-N 446.504 0.968 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCSC)C3)c1 1798579485 HKDKYPLLFLHVBL-UKBAYJJMSA-N 433.530 0.884 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(OC)c1)C2 1798641323 PYZZLOQPHSKEHW-DMUMMCEESA-N 428.489 0.970 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260778 SAKCWEVLKPXJTJ-HGTKMLMNSA-N 431.555 0.436 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc(C(F)(F)F)c1 1799787035 TZZAKXYASSPWSU-ZSBFGKGUSA-N 435.358 0.868 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)[C@@H]2C1 1801902489 GJOZBAWZUDJALO-AOLPCXKKSA-N 431.489 0.826 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)cc1 1802582362 YRGXCMYSGIMPTR-VVSUKSJXSA-N 433.512 0.925 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1802685120 LKOMFEVPFUZWTQ-WMLDXEAASA-N 434.460 0.682 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812391302 TXMFKNVNOWUHDQ-BQFCYCMXSA-N 446.504 0.204 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815769981 DJDCGZVOJSWXBN-KWCYVHTRSA-N 433.469 0.801 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)C5=NNC(=O)C5)sc4C3)c2c1 1819671484 HUWYDWIBEYPSML-JTQLQIEISA-N 448.468 0.993 30 20 ICED CN1CCN(C2(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC(=O)O)n[nH]3)CC2)CC1 1822202073 CLQPKPQVIBAWAN-INIZCTEOSA-N 428.493 0.270 30 20 ICED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976411 ZRTLYBGCAWHVEN-HXUWFJFHSA-N 435.590 0.750 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1 1831020465 VJPIABVTPDWHGC-QFIPXVFZSA-N 442.472 0.275 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1831392397 LJEVAJQALBXECG-UZUQRXQVSA-N 428.485 0.825 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1831397218 VZVRHZCJMLOYHN-VBKZILBWSA-N 432.502 0.733 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831426421 LFQZUOCMQKGNNQ-VGOFRKELSA-N 428.489 0.995 30 20 ICED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832558071 WJPGFIAPLUZYBJ-IGPUNGKJSA-N 447.536 0.762 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1833490245 IBXXOPOKVHEVFA-HXUWFJFHSA-N 426.627 0.845 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccnnc5)CCO4)C3)c2c1 1834031152 GYEGBPDDGQSEDH-QFIPXVFZSA-N 447.455 0.608 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834612676 MUZJTMKJDHGMQU-QFIPXVFZSA-N 445.520 0.904 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)C2)CC1 1835342978 VFXDFHRTPUZBQJ-QFIPXVFZSA-N 427.457 0.718 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1835677615 LSVDSVBBQDSNPT-OAQYLSRUSA-N 433.484 0.573 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1835682419 HKVWLHPIFUSSKQ-NRFANRHFSA-N 431.493 0.139 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1835682846 WRHQTOITLFUPDY-ZOCIIQOWSA-N 430.908 0.649 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3cccc(Cl)c3)CCO2)C1 1835724046 IAVOUCXBOBTLJO-GTCCEBARSA-N 449.935 0.835 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)o1 1836019890 ZDZQDUBOXBRJLZ-QFIPXVFZSA-N 439.472 0.491 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3ncnn3C)CC2)CC1 1837371648 PHYOGVJQZDNNEJ-UHFFFAOYSA-N 433.509 0.937 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837398490 BWBGBNKIQGARAV-HTAPYJJXSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1837404976 FYEWDLSBFBEVON-AUSIDOKSSA-N 437.581 0.748 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488727 NSKOBPMJRKMDMI-JOCHJYFZSA-N 431.489 0.752 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837682228 RYQLFWGPBNUIOF-MMOPVJDHSA-N 437.562 0.820 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838399500 BLJSZFBQUBNPOV-SCLBCKFNSA-N 444.550 0.798 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419475 CTNYYFLSEZXLFN-SIKLNZKXSA-N 430.480 0.862 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1839422091 CAHIOYUTVTZBQZ-NIRMNWTQSA-N 429.448 0.660 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C2)C1 1839807480 CKZOYINOQHPVQK-GOSISDBHSA-N 437.378 0.451 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839840466 CBSUDJKFTRULCY-FXAWDEMLSA-N 443.566 0.081 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)Cc4ccccc4)CCO3)C2)CCC1 1839962123 VCEDLSLTAKDYSB-WMZHIEFXSA-N 427.501 0.740 30 20 ICED Cc1ccc(C)c(OCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041167 WAGOEYAFCGOMJQ-JOCHJYFZSA-N 430.457 0.227 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1840842954 LNHTYZPEZWONFC-WAIKUNEKSA-N 441.484 0.889 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(C(=O)OC)cc1)CCO2 1840958457 IQAKPWKJNMPHRB-JOCHJYFZSA-N 432.473 0.885 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(S(C)(=O)=O)ccc2F)C1 1845566078 YVXBUXKUNYUITH-FPLPWBNLSA-N 449.504 0.905 30 20 ICED Cc1cc(NC(=O)COC(=O)COc2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 9801298 LXTXEPDVTMHWFX-OAHLLOKOSA-N 432.458 0.984 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 430405998 SSMATHMTYBHASN-RYRKJORJSA-N 435.525 0.909 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)CC[C@@H]2C)cc1 433551671 VYPSLBUOSYENLV-PGGUUEOZSA-N 427.548 0.801 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@@H]3C#N)CC2)cc1 464802161 MVXLSLOCGVQKDF-KRWDZBQOSA-N 434.518 0.359 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)CC2)c1C#N 471690757 ZGQYKQSMHLGLNO-GJZGRUSLSA-N 441.536 0.996 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)C2)n1 471885244 NVLSWIFQVLQJAY-DOTOQJQBSA-N 433.534 0.240 30 20 ICED COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472862727 LWYHEJNBTZMUDT-UHFFFAOYSA-N 439.476 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)c1C#N 472891885 PQWUAUMBURZREE-UHFFFAOYSA-N 435.488 0.780 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 475639808 QEZXADXHFALPHX-UHFFFAOYSA-N 428.449 0.882 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)c(C#N)cn1CCOC 481351418 WXIBKTSMOHLGFQ-ZDUSSCGKSA-N 427.483 0.468 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(C#N)cs2)c1=O 481970954 BKNPHMCUDMGNLA-CQSZACIVSA-N 426.523 0.827 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)n2)cc1 490853185 RGMBPNAHMJJPDE-QGZVFWFLSA-N 431.460 0.712 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 501764253 ULDNACSGOFYOOM-UHFFFAOYSA-N 447.538 0.286 30 20 ICED CCOc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 502055134 UCTSUDBSOHQJLB-UHFFFAOYSA-N 435.509 0.813 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 506479871 ZIUPUBMTDOWAPG-AWEZNQCLSA-N 436.490 0.094 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 507673711 FRHCIOOGXYFMCI-RDJZCZTQSA-N 436.534 0.765 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1 516737288 OOFDZDRGTULERK-UHFFFAOYSA-N 428.489 0.757 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] 518034742 IGZAMTIFRHVXMO-UHFFFAOYSA-N 430.442 0.040 30 20 ICED Cc1c(NC(=O)CSCC(=O)N2CCO[C@@H](C#N)C2)c(=O)n(-c2ccccc2)n1C 519272246 CMHXLEVOWCNUNG-INIZCTEOSA-N 429.502 0.907 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 522854083 TZARJHFSXYDHIF-GOSISDBHSA-N 439.520 0.200 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3n[nH]cc3Br)n2)cc1 531397683 BMGRNNPDEINRKE-UHFFFAOYSA-N 429.238 0.939 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 541417011 NAIDXPHSJNCQPG-UHFFFAOYSA-N 429.433 0.065 30 20 ICED C=CCn1c(Cc2noc(-c3cn(Cc4ccccn4)nn3)n2)nnc1N1CCOCC1 545643108 YYDYYVRRCCPUDF-UHFFFAOYSA-N 434.464 0.976 30 20 ICED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 549654774 ZMSJXEBDJVZMLA-UHFFFAOYSA-N 442.524 0.386 30 20 ICED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 549665322 JFUDROJAUCMWIO-QZTJIDSGSA-N 434.541 0.311 30 20 ICED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555257396 PHMQGNDJXCNQFR-CYBMUJFWSA-N 434.460 0.317 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(C)(=O)=O 560306719 ZGYOSGMGFUTAQX-UHFFFAOYSA-N 436.534 0.716 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 562336231 LNFLDBWBJAAUMF-UHFFFAOYSA-N 447.542 0.905 30 20 ICED Cn1c(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c(C#N)c(=O)n(C)c1=O 572670595 UZULWJOXYATPBJ-UHFFFAOYSA-N 432.289 0.653 30 20 ICED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869879 UITCAJQPBFAMPI-MGPUTAFESA-N 439.516 0.539 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccncc4)CC3)C2=O)cc1 588871348 XHTFVDAPCJOZNH-HXUWFJFHSA-N 432.484 0.519 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)n2)c(F)c1 589430589 TVXOBPHSPCXCGU-SIXWZSSISA-N 440.435 0.764 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 609634346 JEMBHJDQWLQKLZ-GOSISDBHSA-N 441.575 0.767 30 20 ICED CCN(C(=O)[C@@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 610662305 GWLMOJNMESIRSX-ZBFHGGJFSA-N 435.550 0.970 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 728589369 CGDBNNAFMYJLMB-UHFFFAOYSA-N 430.324 0.513 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 729673039 CKJITFRVANTCTK-UHFFFAOYSA-N 431.539 0.045 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 731606048 QRRNKJBPHBCWFW-BRWVUGGUSA-N 433.534 0.591 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc2ncccc2c1 732908841 SVKZFDIXCQXXPV-MRXNPFEDSA-N 438.469 0.703 30 20 ICED COC[C@@H](C)NC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830332 HLUCHBRAVIZHBB-DOMZBBRYSA-N 445.432 0.167 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1=O 738119030 IMNJUUZBDANPJO-UHFFFAOYSA-N 443.479 0.991 30 20 ICED COC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 743929358 RNMIEAOLAFUFDE-OTUOZYHDSA-N 438.506 0.312 30 20 ICED Cn1ccc(N2CCC[C@@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n1 744571724 JTDSGEDYFLQPEB-MRXNPFEDSA-N 431.474 0.964 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744727371 ZFINBYJJVJNMQF-OLZOCXBDSA-N 428.463 0.843 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754616042 ODNGWEIEYCWMPT-QGZVFWFLSA-N 427.461 0.842 30 20 ICED C[C@H](CC(=O)N1CCSC[C@@H]1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 756945116 PIKJOKWAMGEOFW-ABAIWWIYSA-N 431.561 0.450 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 757600523 RTMJJQIJIKMLSR-YESZJQIVSA-N 435.525 0.042 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCCSC)c2=O)cn1 772297453 ADGGDQRETZEQFM-UHFFFAOYSA-N 433.559 0.226 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)nc3)c2=O)cn1 772316348 RQXVSGJJOQYIDP-UHFFFAOYSA-N 434.481 0.381 30 20 ICED CCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 774771965 IPTIBYPVMVBBFM-HDICACEKSA-N 446.614 0.961 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 784925790 HGZAFHQBUVLQCX-UHFFFAOYSA-N 437.905 0.785 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3c[nH]c(C#N)c3)CC2)cc1 786906920 DHLYGKFLKGAION-UHFFFAOYSA-N 444.469 0.779 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)ccc21 787888921 LXQFERDQQKQMJC-INIZCTEOSA-N 425.445 0.871 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCCC3)c1=O 793468474 KEDZIUDCBMNDLS-UHFFFAOYSA-N 433.533 0.784 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794638481 FQEXSUJPQFGNGG-WBVHZDCISA-N 442.541 0.661 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 805276411 XMIFSLWJUBFAPY-MRXNPFEDSA-N 425.507 0.705 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 813984816 CBEJJSGWQUPCCK-AWEZNQCLSA-N 440.437 0.847 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(OCC(=O)N2CCOCC2)cc1 914695643 FMWIRSDQKIHGKU-UHFFFAOYSA-N 433.490 0.803 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2C(=O)CNC2=O)c1 914759299 IFVMKHLEADPYES-UHFFFAOYSA-N 427.442 0.416 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(C)oc4ncn(C)c(=O)c34)CC2)o1 915382184 JVYKKYNVCFSKQO-UHFFFAOYSA-N 440.416 0.509 30 20 ICED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918307591 ZWANPYCTBNJVIT-JWGURIENSA-N 437.522 0.421 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 919128636 HCTPWEBRQZVYKR-SNVBAGLBSA-N 425.854 0.794 30 20 ICED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408852 ZUYIPKZZJOIJJK-HOCLYGCPSA-N 440.547 0.020 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1301017667 LWCZFGCPAQCXCB-NSHDSACASA-N 440.979 0.159 30 20 ICED CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503556366 UYCZEVMAZABHCN-UZLBHIALSA-N 431.518 0.839 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ncccc1F 1510196526 XGULNOGUBANSLR-YVEFUNNKSA-N 441.464 0.943 30 20 ICED CCN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1547576394 VVKOEVOOAPKYGE-KRWDZBQOSA-N 433.538 0.664 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1547920561 XNUANPIMPFPXIQ-JTDSTZFVSA-N 439.538 0.626 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1683360106 QEAYBONDDFCAOZ-UHFFFAOYSA-N 425.486 0.191 30 20 ICED CS(=O)(=O)CCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698305051 MKVCDSUOVYRKGN-GOSISDBHSA-N 429.550 0.875 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCO1 1722845802 YRBSDRBOODAEQT-KNQAVFIVSA-N 439.520 0.225 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC(=O)N1C 1743255170 QXIZIKLKQZSBLD-HNNXBMFYSA-N 435.492 0.658 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1778877556 AGFYJTVAKVYHAP-GHTZIAJQSA-N 439.578 0.315 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1778968819 WWYWZEAWWYBJOR-IIBYNOLFSA-N 435.546 0.881 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1781593231 FMRXFSMPQOPXQI-JTUHZDRVSA-N 442.516 0.769 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1782015301 JPQKXNISYZQJQZ-FOIQADDNSA-N 433.392 0.949 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1782176447 NLRRYNNRKNLYBL-UJKGCTCZSA-N 445.582 0.704 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1)C(F)(F)F 1783203184 UMEZMXBCYGMMRV-GOSISDBHSA-N 426.395 0.760 30 20 ICED C#CC(=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 1783477929 CEOZHRFGQIASSW-ADHGMGHFSA-N 435.521 0.217 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567759 YRPZWSHMINHSSK-OPAMFIHVSA-N 443.456 0.219 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c1 1783911998 JZYQGOHOHJUNTQ-MUGJNUQGSA-N 441.532 0.063 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1784037252 CHCKASOLIRCBCY-OPAMFIHVSA-N 426.473 0.537 30 20 ICED O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787015283 HIKXFDTWIOKGBT-DSCBYRQKSA-N 446.504 0.357 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788668659 WUQPBDXNGZOLFS-OVWQWFNUSA-N 434.493 0.284 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc5ncccn5n4)C[C@@H]32)cc1 1789572004 DBPTXENSUSJWLO-BZSNNMDCSA-N 431.456 0.903 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1 1792833426 PBFIPHMIHIQBRM-IZZQQSIFSA-N 448.483 0.283 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)c1ccc(O)cc1 1793419439 PDNKRKYWYCSXIZ-DNMVWIPKSA-N 441.484 0.587 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)SCC(=O)N2 1796293594 HWWRDCWOWWLSKA-DBWKPXFBSA-N 429.454 0.022 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1796294048 MYAIKGSWFNXYPH-YVSFHVDLSA-N 430.509 0.833 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445848 BSLNMSFFRIILCD-NLSWJDMASA-N 449.529 0.228 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797539866 MCPGUJUPHMJJIN-ZJOBFFGXSA-N 442.472 0.826 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cn[nH]c2cn1 1797580206 NHKNLCRKBVYWMI-JLVBRIDZSA-N 425.493 0.443 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1797743210 VLXMDYHSDOAETI-XQHRVYOCSA-N 428.537 0.576 30 20 ICED Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808638 MEEHSQPJUKVKEX-PEQOSZPBSA-N 434.493 0.953 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1798472089 ZKEIJMWQTABKJS-QVABKHQFSA-N 433.461 0.832 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801588702 MMNWNLIIWZXJNY-SFNKJDCFSA-N 449.548 0.798 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)C[C@H]1CO2 1801988765 NPMLWRBXKXWCQN-YEXUYLHMSA-N 447.488 0.491 30 20 ICED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(O)n1 1805141666 VNJQMJNMLFKGIX-LSTHTHJFSA-N 438.532 0.906 30 20 ICED O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1807600918 SPADTWKDYNGMES-FODRSAKESA-N 441.492 0.908 30 20 ICED NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1812631382 DUSVBTIFBVCERU-YLRNIGBLSA-N 431.493 0.882 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817297354 ZTHMIIASZAOKIE-OAHLLOKOSA-N 431.497 0.751 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1820896357 ZPSKIKJZWCSFAB-OXQOHEQNSA-N 449.508 0.562 30 20 ICED Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn2[nH]cnc(=O)c12 1825666424 AKPXZNXLILEMHZ-SNVBAGLBSA-N 440.441 0.101 30 20 ICED COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1830235472 KKBSWHAPBXSOJV-JOCHJYFZSA-N 429.473 0.834 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccccc1 1830408221 AQNOQRKHSFNDRM-DENIHFKCSA-N 444.488 0.844 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1830641949 IDEIVGJMSPPRIB-VGSWGCGISA-N 436.553 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1831385751 FRZFURKNNBIWNV-VGOFRKELSA-N 431.489 0.589 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1831386811 KIKDJFKCSBJZCZ-VBKZILBWSA-N 437.880 0.549 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)nc2s1 1832101560 SEEHHGMZEJELHV-FQEVSTJZSA-N 446.533 0.648 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832873228 NQTWMSMKJDZHCZ-HTAPYJJXSA-N 448.520 0.182 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)N1CCN(C)CC1 1833148512 DFKISMBCAYAJHY-SFHVURJKSA-N 432.613 0.744 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1833851561 NVAFQWRZDBLBRX-QHCPKHFHSA-N 429.517 0.794 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1833902962 RQDCJBPVLQCQAM-DUYDGHCJSA-N 448.524 0.282 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1C)CCO2 1833941629 FTQMKXMETSJPTQ-NYPGBQQYSA-N 433.530 0.985 30 20 ICED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1834047450 YNPKWHIPVWLQJN-JOCHJYFZSA-N 429.521 0.742 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1834088504 HSEWBPZOQMIYKC-WQZUMXOESA-N 447.540 0.529 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnccn3)CC2)CC1 1834121736 GTPDKQUBSJHJNF-UHFFFAOYSA-N 427.553 0.944 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnc2)CCO3)ccc1F 1834385832 CTQORHCHTHUCLL-QFIPXVFZSA-N 441.463 0.593 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834977636 RTRWDGFLXFHTFI-HRAATJIYSA-N 439.509 0.006 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835361217 GDNHAAOECORNQJ-QFIPXVFZSA-N 438.488 0.950 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)/C=C\C(=O)NC4CC4)CC3)CC2)c1 1835659893 KKQZLEZFIWUCIO-ARJAWSKDSA-N 438.532 0.906 30 20 ICED CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672687 HOEWCVGUXMHCMP-HSZRJFAPSA-N 443.548 0.996 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835704563 VSVRJPZNZPFBBJ-IRXDYDNUSA-N 437.585 0.857 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1836372748 YSGCGRPVOCJPDJ-SFHVURJKSA-N 430.597 0.498 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837170937 ZPWPNQCWNMMEMZ-HRAATJIYSA-N 444.492 0.600 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1837402595 IJFWJHVHUHLBSW-TWOQFEAHSA-N 430.567 0.130 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837489516 KMZLBQOOYYQORL-HSZRJFAPSA-N 445.491 0.989 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)CCC1 1837634233 YHXMTYVCMLGKLW-NRFANRHFSA-N 427.461 0.170 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837728081 SFRQKDXQJJSPAH-DENIHFKCSA-N 437.537 0.362 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838756608 VKJYJNFUZAOSQU-UHFFFAOYSA-N 447.523 0.483 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c(C#N)c1 1839133376 NPFIFOXGJYZTHN-QHCPKHFHSA-N 441.484 0.545 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)ccc1F 1839186611 FJDSMDUWGHCNAQ-FQEVSTJZSA-N 445.476 0.862 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223401 USQUSLLRHJRGMQ-UZLBHIALSA-N 426.514 0.112 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1839224120 FCYWLHOLYHTESU-UTKZUKDTSA-N 435.525 0.610 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn(C)cc4c3)CCO2)C1 1839504132 MEDKZEFUNUYJFO-SBUREZEXSA-N 440.500 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)CC=C)CCO2 1839887195 ZHPAAJGIZDGIHS-SFFCAUCYSA-N 427.448 0.513 30 20 ICED Cc1snc2sc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc12 1840041672 AYVPWJSORODMTQ-LJQANCHMSA-N 449.510 0.824 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1840712693 QFTWZSSGAQQXEU-ZHRRBRCNSA-N 438.488 0.826 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840841457 AGYHXGDWMFDCIG-FQEVSTJZSA-N 429.502 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccnc(C(=O)OCC)c1)C2 1841054991 REFDNHVYBXHTDN-SREVYHEPSA-N 426.473 0.934 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1841600047 CKHINCADNQBAHE-FGTMMUONSA-N 449.548 0.846 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1847068807 INZCOWCCGVKXBT-GJZGRUSLSA-N 436.509 0.169 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090526 MJJPVZCEOWDZCR-DZGCQCFKSA-N 442.582 0.913 30 20 ICED C=CCOc1ccc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC 9815693 BCAOCFDRNVPSFT-VQHVLOKHSA-N 429.429 0.679 30 20 ICED C=CCn1c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)nnc1-c1ccncc1 12055764 LOPRSVJEQVSXIY-UHFFFAOYSA-N 443.489 0.580 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 12177379 BVUWIAVQKWQBNS-UHFFFAOYSA-N 439.368 0.419 30 20 ICED Cn1c(=O)ccn(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1=O 25166959 QFFXMDBNHFOGSW-UHFFFAOYSA-N 425.424 0.075 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CCO1 409574405 IRMKEYBWPJGQSU-ZIAGYGMSSA-N 429.296 0.391 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(C(N)=O)cc1 440384993 RARKDWHFDSKOOV-UHFFFAOYSA-N 445.460 0.268 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 447232764 ZPIIQKANDVODSF-UHFFFAOYSA-N 437.500 0.282 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)(COC)CC1 460800695 FJMWYHLSTYISGP-INIZCTEOSA-N 438.554 0.944 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 470820373 LLHOOYBZFUWBEU-UHFFFAOYSA-N 441.510 0.934 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 471991292 IEXXJNVOGGMXOZ-UHFFFAOYSA-N 439.541 0.955 30 20 ICED COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472868532 KMEBRKZZPOZMOW-UHFFFAOYSA-N 442.476 0.913 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 479461343 BSAIFHKWKSTTOX-ZDUSSCGKSA-N 433.490 0.206 30 20 ICED COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OCC(N)=O 480522701 GIFNDDXXAHUEJE-GFCCVEGCSA-N 432.458 0.736 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 480807741 VDCVHYJKTWRDTO-ZFWWWQNUSA-N 428.536 0.013 30 20 ICED C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1cnccn1 488918089 NLYHVRBHIDXEPX-UHFFFAOYSA-N 439.505 0.851 30 20 ICED CN(CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 489182939 LKACYHZKBXKYPO-KRWDZBQOSA-N 440.547 0.205 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491589674 SSINVYBMPOMGDJ-CQSZACIVSA-N 435.912 0.836 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498984494 FZKYAVOXHBCTRC-ATZDWAIDSA-N 438.525 0.236 30 20 ICED CN(CCc1ccncc1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501084404 WYLRARQJEPVRFJ-UHFFFAOYSA-N 427.530 0.961 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 506004604 CWRRASBQCORWTN-UHFFFAOYSA-N 431.512 0.821 30 20 ICED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 506862771 AWYNVEOBMNVLMN-UHFFFAOYSA-N 435.481 0.735 30 20 ICED C=CCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508706296 ODZOSWHKDHYZOQ-IRXDYDNUSA-N 449.581 0.946 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(CC)o2)c(=O)n1CC=C 509380684 XMVZJNVXLJDWLM-UHFFFAOYSA-N 427.482 0.843 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O 525374289 ZSBYJBZNUSBEDK-MRXNPFEDSA-N 440.456 0.918 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)Nc2cc(C)nn2CCC#N)cc1 532605471 JPNRDFMYGSBPLR-UHFFFAOYSA-N 432.506 0.789 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n(CCC#N)n1 533317775 APOZKFOUZKPLRM-MRXNPFEDSA-N 429.525 0.635 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 537151484 OBILZNFSBINBSS-UHFFFAOYSA-N 449.537 0.147 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nn1CCC#N 541020601 VOZGJBYJDXBUDE-INIZCTEOSA-N 436.538 0.897 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 541145449 WJNCCDBZINKICM-UHFFFAOYSA-N 443.895 0.744 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542940898 QEEIWNGRTVOULG-UHFFFAOYSA-N 441.509 0.607 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)n(CCC#N)n1 549795862 PIYOEKAEGVOBJW-AWEZNQCLSA-N 432.506 0.917 30 20 ICED C=CCCOCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 555722661 JCBZVBRBEGJULT-UHFFFAOYSA-N 425.507 0.033 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](Cn4cccn4)C3)C2)c(F)c1 558040540 LJDJOTWTUKNPEQ-ZWKOTPCHSA-N 440.479 0.906 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 558308885 XYEKCRMBSABUFR-UHFFFAOYSA-N 444.513 0.758 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)C2=O)cc1 571428843 WSACWNWSBFEPJL-LJQANCHMSA-N 433.468 0.628 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CC1 578169186 RQQBGOJXCDIOQH-LEWJYISDSA-N 425.533 0.701 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 578818944 YMWRQTYMPQUUCG-ANULTFPQSA-N 440.544 0.799 30 20 ICED N#CC1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 590103082 ILCKIMREVUPDOH-UHFFFAOYSA-N 435.506 0.531 30 20 ICED Cc1nnc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(C#N)c1C 604526644 MDHPVGYELGAGRX-UHFFFAOYSA-N 428.474 0.807 30 20 ICED COc1ccc(Cn2nccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 615050239 UEDOWWAJHFAONN-UHFFFAOYSA-N 440.504 0.953 30 20 ICED CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)S(C)(=O)=O 615911072 BHQZAMWJAFZDMM-UHFFFAOYSA-N 449.533 0.606 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccsc2)c1=O 684534545 AOTBTDXZSJXTLM-CQSZACIVSA-N 431.539 0.558 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOCC 725763352 HRJYBLOXHQOGKH-UHFFFAOYSA-N 429.546 0.703 30 20 ICED C[C@H](CC(=O)NCCS(=O)(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742530331 XJLSIWYFGUQTSK-GFCCVEGCSA-N 430.552 0.338 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@@H]1CCOC1 749869603 MIDWPQPYBIGELS-LBPRGKRZSA-N 440.437 0.652 30 20 ICED N#Cc1cc(F)c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 755194394 QOJDXOIZVFQRLF-LBPRGKRZSA-N 433.458 0.111 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766014905 FJPWVRPXSZHURQ-HNNXBMFYSA-N 436.534 0.337 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)c2ccncc2C1=O 766376555 ALPHDSVPAMZPPP-GFCCVEGCSA-N 428.426 0.459 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 774096648 RRGUDDBGDNLKSR-SJORKVTESA-N 433.486 0.611 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2OC)CC1 789574123 XNAZLEQBDBKHHL-UHFFFAOYSA-N 440.298 0.238 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800034437 UJZHYCAFUUZXKS-OAHLLOKOSA-N 431.559 0.820 30 20 ICED Cn1nnc2c1C[C@H](C(=O)[C@@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 810534040 DFWODFYAQMQXQL-RHSMWYFYSA-N 437.460 0.886 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2cc(CO)nn2)C1 818147088 FWIARUATFIRXED-OAHLLOKOSA-N 432.506 0.453 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(C)s2)c1=O 917761937 RZEQULAMPVZTCJ-UHFFFAOYSA-N 431.587 0.752 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 919009395 CQROFSQHKDJCBF-JOCHJYFZSA-N 442.472 0.917 30 20 ICED COCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1318487977 YTNONLDWXVRWEP-SJORKVTESA-N 448.501 0.425 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 1323547046 MHTRZKUULUUJAW-MJGOQNOKSA-N 425.489 0.944 30 20 ICED CN1CCN(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)CC1 1354003160 QWYXLSFXGOPEGZ-UHFFFAOYSA-N 431.562 0.417 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1521095890 SBYKTYHHSLUOGW-UHFFFAOYSA-N 442.423 0.730 30 20 ICED CC(=O)NCC(=O)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1560056827 WMTMMUCVVRRKFV-GOSISDBHSA-N 446.577 0.127 30 20 ICED CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1649602717 NUMYJZWDOJQSLE-GJZGRUSLSA-N 426.543 0.824 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)no1 1693046329 JPLSDBVJHVLZPU-YOEHRIQHSA-N 439.473 0.398 30 20 ICED 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MVRCCPFKSFCQRP-NRFANRHFSA-N 428.445 0.391 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293293 UPHHTJISHOEPRK-SFTDATJTSA-N 428.445 0.481 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1837396398 CMVAMMWYWWRXDZ-MSYCTHLASA-N 446.548 0.501 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837397250 NYGHTFXMZVHDEJ-FZKQIMNGSA-N 434.436 0.126 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837399649 YOXISCZCKIOLJF-MGPUTAFESA-N 442.463 0.921 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561126 AUEYSEOTOVEBBN-FFCJBUTOSA-N 427.461 0.567 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507071 LPHJNRDECQOEKY-VLIAUNLRSA-N 445.501 0.195 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1838579051 AJADFGGHNWVLNB-OAQYLSRUSA-N 425.445 0.674 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C(F)F)CCO2)C1 1838710267 SSUIBWTXDTWXRX-QRWLVFNGSA-N 440.447 0.695 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)ccc1F 1839187321 WHMKAHUVNDWSBT-SIKLNZKXSA-N 428.464 0.224 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cncn1 1839364228 UCPNKMHDVQXWPK-JTSKRJEESA-N 438.488 0.675 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3CC[C@@H](C3)N1C(=O)OC(C)(C)C)CCO2 1840011377 UVVZONQJUFDFRR-QQSSDERHSA-N 447.532 0.864 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3ccccc3F)C2)C1 1840039750 GYKDKLGVDSGZIH-JOCHJYFZSA-N 432.448 0.693 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840342967 CHBXCTFSCXCBLO-YIUBHWLZSA-N 427.461 0.591 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1843821062 DXMQWAZRRZLOHB-KZNAEPCWSA-N 449.548 0.846 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)COc2ccccc2C#N)C3)CC1 1843975104 KLLWDIPMECCFKH-UHFFFAOYSA-N 439.516 0.305 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1844236293 FGNWLVQNCXAIGM-LSDHHAIUSA-N 425.526 0.649 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1846560909 PWZLPYVPXPZCOH-WVCJYUAVSA-N 426.477 0.372 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 32920525 PBESPDWVDLDTAH-HNNXBMFYSA-N 433.534 0.303 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 60892086 RGVMFOMVJRNZSX-UHFFFAOYSA-N 429.452 0.032 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 62087772 HDZWNSWAWJFRRQ-UHFFFAOYSA-N 428.470 0.834 30 20 ICED COC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCS(=O)(=O)CC1 409502300 NVFFBLXOQSESQA-UHFFFAOYSA-N 440.421 0.976 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1 409536144 LQEDHACIKUFRQL-CQSZACIVSA-N 446.551 0.346 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)s1 435420782 DUFVJWVAYXIIJB-UHFFFAOYSA-N 432.471 0.759 30 20 ICED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 438685657 BGDAQTCFRHCRKN-KGLIPLIRSA-N 433.490 0.620 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1 441192011 FNHHNVZNKJGYHJ-UHFFFAOYSA-N 431.522 0.218 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCOC1 441957998 VKEAANBRCFXZKZ-CQSZACIVSA-N 440.481 0.636 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 464856481 NHDLULPSUIQLGU-OAHLLOKOSA-N 425.468 0.906 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)c1C#N 472851027 LKLBYBVLWPQJQE-UHFFFAOYSA-N 435.488 0.780 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC(C)(C#N)C1 482611479 PKJSDRNDXNJFDD-GOSISDBHSA-N 448.545 0.834 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 488603720 UASBFRLPOWGSTA-OAHLLOKOSA-N 438.506 0.404 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccccn2)c1=O 488986362 RVJMSILDMRGHHR-CQSZACIVSA-N 427.482 0.367 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 491493528 MRKNMKPLVHAHTE-UHFFFAOYSA-N 432.488 0.993 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 497724686 CTHRSCLROMHFHU-ICSRJNTNSA-N 449.515 0.294 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 498068975 ZBBFXNIJQLUHBU-NRFANRHFSA-N 448.545 0.963 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 498792072 RICOITLWRPTAEU-OAHLLOKOSA-N 434.518 0.011 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)C1=O 501918766 HRPTVGFSWGJFGM-AWEZNQCLSA-N 425.401 0.613 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 507673712 FRHCIOOGXYFMCI-WBVHZDCISA-N 436.534 0.765 30 20 ICED COCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 508669188 IAHPAQCFNVDMRG-QZTJIDSGSA-N 434.518 0.899 30 20 ICED N#Cc1ncn(CCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 511393429 DDNDWVHDRJBAAS-UHFFFAOYSA-N 438.535 0.693 30 20 ICED CN(CCN1CCOCC1)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511622749 AJAPOMHHOWIMCP-UHFFFAOYSA-N 428.493 0.719 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513238490 MYRCZRYJIDTSKE-AWEZNQCLSA-N 442.451 0.917 30 20 ICED Cc1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1S(=O)(=O)NCC#N 521017314 LLFHMTWIIPAZOC-UHFFFAOYSA-N 428.536 0.246 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 531221941 KQKJFZOCBLRVKY-UHFFFAOYSA-N 449.471 0.660 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 532059420 OSLLJLCHPOAEDW-AWEZNQCLSA-N 442.501 0.736 30 20 ICED Cc1oc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 533239457 LKBWYGUGPJEDCN-HNNXBMFYSA-N 438.554 0.205 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c(C#N)cn1CCOC 548174973 BNGCAWVFBFGKDM-AWEZNQCLSA-N 441.510 0.728 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 553669078 IHTPLPLZALKJOK-MRXNPFEDSA-N 426.525 0.224 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCCN1CCN(c3ncccn3)CC1)CC2 555798804 BAWQPYKWGLQESW-UHFFFAOYSA-N 433.516 0.956 30 20 ICED CNC(=O)N[C@@H]1CCN(c2cc(N3CC[C@@H](NC(=O)NC)C3)c([N+](=O)[O-])cc2C#N)C1 557653041 NZHDVSSEUAJVJB-ZIAGYGMSSA-N 430.469 0.482 30 20 ICED Cc1c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1-n1cnnn1 559006809 LQMKYYHHKKKTBR-GOSISDBHSA-N 444.455 0.698 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](C)N1CCOCC1 561666934 MMFSQAMRSXEQQM-KBPBESRZSA-N 430.896 1.561 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)CS(=O)(=O)CC 577912050 ITTLRLFLTIWENN-QAPCUYQASA-N 448.545 0.842 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)c1 609472629 XZHVQZDNRATBSY-UHFFFAOYSA-N 430.433 0.934 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 609538475 LJAZEUFZNHVAKX-HXUWFJFHSA-N 433.578 0.685 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 609749644 LMJCWOZEINKBEC-OAHLLOKOSA-N 429.458 0.834 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@H]1CCS(=O)(=O)C1 676369145 BUQLCOMNIUOYCX-INIZCTEOSA-N 428.532 0.759 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cn1 729030705 XTFARMHPKGPLFI-UHFFFAOYSA-N 443.481 0.557 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1OC 729187812 IJKCQCRFLGNJCQ-MRXNPFEDSA-N 437.456 0.959 30 20 ICED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 730390317 VLBXZSHNDRVKJS-QJIFYWSCSA-N 435.506 0.175 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731649718 XREYNKYFPALVBJ-UHFFFAOYSA-N 429.564 0.390 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(C)c3)c2=O)cn1 743725644 WKQIWKVVVVUGPR-UHFFFAOYSA-N 449.536 0.832 30 20 ICED CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749745246 SNXCDFNLTIPFRM-QAXPQUGSSA-N 442.563 0.667 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2COC(C)(C)OC2)c1 755513402 JEFBVVNDUOICIK-JWGURIENSA-N 438.506 0.706 30 20 ICED CCN1CCOC[C@H]1C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 755637985 AUXAWZUEQNSNNE-KRWDZBQOSA-N 428.445 0.630 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCCCO3)c1=O 758068666 NZFBOFNNSUXEHG-UHFFFAOYSA-N 437.521 0.980 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 770181996 VFNXJVARCQMKCN-QGZVFWFLSA-N 426.454 0.601 30 20 ICED N#C[C@H](C(=O)CCNC(=O)c1ccc2ccccc2c1)C(=O)N1CCS(=O)(=O)CC1 779209149 LEFDVHVVRQWBQS-GOSISDBHSA-N 427.482 0.926 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CCOC 782602173 XVIMPZYDVYQSNY-UHFFFAOYSA-N 438.509 0.370 30 20 ICED CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 783922276 BDEWVEMKIQKZOY-PGMHBOJBSA-N 438.506 0.850 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 786710141 YXOMXCBGELBQEI-INIZCTEOSA-N 429.477 0.811 30 20 ICED C[C@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NC1(C#N)CCCCC1 786996131 JNKRVZSEVXFGIN-ZWKOTPCHSA-N 434.537 0.974 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 787777370 JSFVBIFBXBLNSG-UHFFFAOYSA-N 428.537 0.880 30 20 ICED C=CCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800779310 NGTLCGPFDFACBK-MRXNPFEDSA-N 443.595 0.761 30 20 ICED C=C(C)Cn1c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nnc1C(C)(C)C 802579276 MVEOLMSNZWCXHD-HNNXBMFYSA-N 445.611 0.791 30 20 ICED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 804950366 YELRSYBHRBAJKK-UHFFFAOYSA-N 432.520 0.733 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cn(C)nc2C(F)(F)F)n1 807575916 MCKSYPPLXNGOLQ-UHFFFAOYSA-N 426.399 0.560 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 916924586 XZHUKOBYRJHLHX-INIZCTEOSA-N 437.518 0.743 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 917018491 OMPGLLSWXQECDT-YCRPNKLZSA-N 425.445 0.756 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ccc(C#N)cn3)CC1)C2=O 918739116 YTOJKYRYSQPAKY-UHFFFAOYSA-N 425.493 0.607 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 918835724 WLDQGEMKICCSLK-UHFFFAOYSA-N 439.490 0.635 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 919757331 LKVBTPAGWRXBOS-CQSZACIVSA-N 435.527 0.997 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 920001868 ZNCKHCJCGORVIK-LSDHHAIUSA-N 436.534 0.505 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1Br 1309018333 JWXKZVRACPJREC-UHFFFAOYSA-N 427.324 0.906 30 20 ICED CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1360292893 UDAQMULARVWEOZ-QGZVFWFLSA-N 439.524 0.705 30 20 ICED N#Cc1cncnc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1458087511 ZTWBZCFIVJSCEZ-UHFFFAOYSA-N 434.865 0.843 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1541806691 QXFQHWDPRJOVSK-AWEZNQCLSA-N 431.522 0.867 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1547259483 HSADUJKHZBHFFL-SFHVURJKSA-N 439.520 0.776 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C)cc(C#N)c3=O)CC2)cc1 1613865837 RPBOTDGPCAGOND-UHFFFAOYSA-N 444.513 0.960 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620347442 UYRHKXXLFOZJDC-JJRVBVJISA-N 445.542 0.447 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1656801716 VMORVPGXBMBBEI-MRXNPFEDSA-N 434.518 0.483 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1723934362 JMHLNOZCPOGKSF-RDTXWAMCSA-N 441.533 0.733 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1726638418 FDTICBQNFDDZAF-QVKFZJNVSA-N 426.477 0.547 30 20 ICED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1731179389 ZSZPICJCGQIOBZ-GOSISDBHSA-N 448.484 0.403 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC(C)(C)O)CC2)c1C#N 1742669276 KASLHVCCGKQAQH-UHFFFAOYSA-N 443.556 0.818 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777886948 NCJUHDUPJWRAGO-HJPURHCSSA-N 440.500 0.968 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065162 NYDZVYMDKWBUJX-VGOFRKELSA-N 434.537 0.223 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO3)c1 1780174375 UGJKZLKHIAYBAQ-NYHFZMIOSA-N 428.489 0.877 30 20 ICED Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)c(C)n2n1 1780335560 ZWAWATMCCXLZAQ-OAQYLSRUSA-N 434.460 0.698 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1780605151 FMFVXQMCVCGKRK-YBZAYSDLSA-N 445.560 0.940 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1781396277 QAPFOYOIUASOPU-SXGZJXTBSA-N 442.513 0.460 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1781400070 HJDXUWOGIJVVRG-QFBILLFUSA-N 444.554 0.043 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781808910 IHYFSDVNEMLREZ-VKUXZERMSA-N 431.445 0.105 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783559128 WSMMINMAOHZLDE-RTOPAQNCSA-N 447.488 0.304 30 20 ICED CC[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783565928 SCAAECQRDIKERZ-VFNWGFHPSA-N 437.493 0.598 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1F)CCO2 1783566782 HYVJDEVSLNORGQ-LJQANCHMSA-N 426.347 0.959 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783904882 CYSHYLQANFLSHF-VGSWGCGISA-N 437.537 0.896 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)c1 1784458035 DYKNOYNTHYAISG-QFIPXVFZSA-N 437.456 0.879 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3csc(C)n3)[C@H]2C1 1785289864 ZVUIRGODGKOLQE-GFXHUTCISA-N 432.546 0.832 30 20 ICED CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)C(C)C 1788474943 ZXGGOQJYUCWDOE-VJANTYMQSA-N 436.553 0.836 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1788652858 OOVHLIGHQBLUCG-ZHBYCCPMSA-N 431.493 0.528 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)nn3)[C@H]2C1 1788834034 GMWXGZMAJXBKHE-BQYGTXGQSA-N 433.896 0.582 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCSC)C[C@@H]21 1789891650 LXJPHUNTWMZNMR-QAETUUGQSA-N 428.551 0.590 30 20 ICED CN(C)c1c(F)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1F 1790297586 IDLAPKLRLJWETG-JDFRZJQESA-N 435.427 0.712 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1OC)C2 1792490340 PHODTUYFRSSBKW-HJZKZARXSA-N 445.491 0.825 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)c([N+](=O)[O-])c1 1793262123 ZHCPAIFCFOKIEY-CWPLJXCYSA-N 441.440 0.998 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1793832212 FIKKBNMKYNGRCB-XGUBFFRZSA-N 433.509 0.970 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cccn2c(O)nnc12 1796288243 OIEDBGQYLLJXRC-VZEZJPMCSA-N 438.444 0.350 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1796448250 IHICBKRVAHNOBC-KUKYNPAHSA-N 431.514 0.603 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797391230 YAPZLWYBTSLDBW-UPHUGPLXSA-N 446.467 0.883 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1797706716 OBZOHHZVQWGOTN-RFGKEDTNSA-N 430.501 0.989 30 20 ICED C=CC(=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 1797947097 AIOHMTDVNBOIBK-NFWAQSGPSA-N 436.472 0.328 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)c(O)n1 1798486167 RTYVNDLPKKWEON-WYADAEROSA-N 444.532 0.808 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1[nH]nc2c(Cl)cccc12 1799077405 JZNIIAHXRMWMGY-SLAYPKMVSA-N 430.848 0.436 30 20 ICED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327251 LJPUMAMOPYPDNM-WQDJSCAQSA-N 435.521 0.943 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1799395348 NEGDEBDGBASFOE-GAGVYUBLSA-N 442.513 0.220 30 20 ICED C[C@H]1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCN1C(=O)OC(C)(C)C 1800778591 JCDXHGPCOWTVLW-DBDOFBCQSA-N 449.504 0.310 30 20 ICED C#CCCCC(=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 1800992407 IHURPOSAXJJZBX-STEXWYFWSA-N 449.548 0.750 30 20 ICED C#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)C2 1802128079 YBIWVIKYGWKXSZ-ADHGMGHFSA-N 436.553 0.491 30 20 ICED 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 1804374693 YQOBKVISEDHNSK-ZHCJQAHYSA-N 449.552 0.134 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806618019 ZIJVWRDVWNSAOL-ZRCGQRJVSA-N 433.512 0.732 30 20 ICED O=C1CC(C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)=NN1 1810222104 HNWCMFSDEWODSW-VIZHLDOVSA-N 425.493 0.435 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810290397 ITMBFEJMEYZBTF-QRTVHMNXSA-N 449.577 0.994 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1813267945 PZXFSVJNFYDKER-QNPXZXJZSA-N 430.509 0.915 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1823749229 KACOMVAAWQVWRT-ZPUOCTKUSA-N 448.520 0.008 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1829764436 LPXJYIBSPRLTAX-LLHWWHOWSA-N 438.868 0.256 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831333233 WFVGMSGGVCGBJU-HXUWFJFHSA-N 428.551 0.646 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831425352 CPSKZJGIULZCFE-JTSKRJEESA-N 432.521 0.881 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887364 AUNBDYXZTFRWTH-VGOFRKELSA-N 433.505 0.028 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1833469569 GZDLKJFFOHBKJH-UHFFFAOYSA-N 429.583 0.585 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CC)NC)C3)C2)c(O)n1 1833699102 RWJUWBDKXDHEBN-WMZHIEFXSA-N 446.548 0.974 30 20 ICED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833765935 NGCCSSRZZMFBRJ-NRFANRHFSA-N 425.445 0.674 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834633756 VFXMYAOTBCLWTN-QTCOBDOFSA-N 437.541 0.175 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756172 SUVADHPLMXBIKI-KKSFZXQISA-N 436.509 0.826 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1835100373 PWCXQVVXWNFNAS-DEOSSOPVSA-N 434.496 0.951 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2C1 1835346724 RIOOXSMLUYAONI-QFIPXVFZSA-N 442.520 0.092 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H](C)O3)CC2)CC1 1835461577 GNXKLNDDXRNAAF-LDBCMITESA-N 432.565 0.984 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836013776 AKWWDVLDPKWMME-GWYVQQBTSA-N 448.520 0.933 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)CCO2 1836585895 GSBHJCJYULGOHF-XMSQKQJNSA-N 441.440 0.048 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974199 PXODGHYTNRBHBZ-VGOFRKELSA-N 432.521 0.881 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1837071722 ZGONSCBUBWMIJB-SFHVURJKSA-N 443.566 0.969 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1837392638 GHWWBWVYFYNPES-GCJKJVERSA-N 435.521 0.863 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1)C(F)(F)F 1837467354 HACGBGCCNPOMEO-MRXNPFEDSA-N 438.472 0.045 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837664651 UNOLAQOXJPOMOJ-QFIPXVFZSA-N 445.520 0.638 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837694801 PEJSFEFBBTYNJU-FDDCHVKYSA-N 425.485 0.185 30 20 ICED C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838400948 WISIDGXIOPOUBW-GOSISDBHSA-N 433.549 0.818 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838534317 LVYFVPXFNGVYPX-IERDGZPVSA-N 434.493 0.256 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058544 GTKCHTSXXSSWMN-JOCHJYFZSA-N 429.521 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839174248 OUTUXLSJFABHAU-NRFANRHFSA-N 434.493 0.308 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n(C)n1 1839223379 UDSTYCDVVJSGMH-MGPUTAFESA-N 437.497 0.300 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1839806200 FPHWZAQHZRDIFH-VGOFRKELSA-N 435.521 0.866 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1840158196 IQGSRKYYOVBUOC-IERDGZPVSA-N 437.562 0.906 30 20 ICED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840522989 BFVUYTRFZAJNBS-LAAGDHCCSA-N 427.498 0.398 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3Cc4ccccc4C3)CCO2)C1 1840941688 AZSBMGUPNGOMEK-MHECFPHRSA-N 426.513 0.896 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842240464 OTHKKFWUHBTECY-UHFFFAOYSA-N 447.561 0.725 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622510 VHQIDCFRLDHLFX-HNNXBMFYSA-N 449.556 0.650 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)nc1 1844258595 VRUWFADHQZMWQQ-LPYMAVHISA-N 433.534 0.774 30 20 ICED N#CCCN(CCC#N)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 11176656 FHJFGLGEYPRLDT-UHFFFAOYSA-N 433.490 0.605 30 20 ICED CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15328802 AMZUMCRVJHDHBP-UHFFFAOYSA-N 444.263 0.885 30 20 ICED C#CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 24803243 OWADBKAUKZLTPB-UHFFFAOYSA-N 437.522 0.497 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 27301971 PYJYLBQEDGDYJA-UHFFFAOYSA-N 436.515 0.717 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409597103 UZSGAAXANPHCEX-NSHDSACASA-N 439.437 0.501 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 438716040 LKDSXVNOLSKORT-GOSISDBHSA-N 444.513 0.644 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 439932703 MVHCIDVXKKQAQJ-SRABZTEZSA-N 449.485 0.362 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 441633280 LAVMRWQKRGZBLA-QGZVFWFLSA-N 441.875 0.869 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 443564279 JNENYWWZAZACPY-UHFFFAOYSA-N 430.511 0.963 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446531596 NCYGVUXTIYXJQC-UHFFFAOYSA-N 430.509 0.200 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 447397911 PIRQOYRULRXABI-BWAGFHJFSA-N 448.539 0.880 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 461068169 YYTQOHUPBDLWNS-QFBILLFUSA-N 444.561 0.940 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1OCCC(N)=O 465420811 JEEFGQRMQMRWIF-CQSZACIVSA-N 437.460 0.278 30 20 ICED COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472165620 YOUFYPCRCDOGKL-QGZVFWFLSA-N 443.504 0.957 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(C)(=O)=O 472868205 GBKYLEYVSUKNIG-UHFFFAOYSA-N 444.517 0.599 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472883448 SQJFOPSIZZHPOF-UHFFFAOYSA-N 426.477 0.913 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 473570480 MEPKRMLXRGNBQS-KRWDZBQOSA-N 436.925 0.761 30 20 ICED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 473713515 HGNYCSVKWZVMLZ-UHFFFAOYSA-N 430.442 0.378 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 475704757 RBDFQZXTJKRTHS-RBUKOAKNSA-N 438.488 0.883 30 20 ICED N#CC[C@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 476068743 AUNNFEUJLAKTQQ-RTBURBONSA-N 432.546 0.521 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480791438 YZUZYIBZHIZQHT-CYBMUJFWSA-N 436.515 0.450 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 481609366 NLQBEGGEFHAKKX-INIZCTEOSA-N 432.520 0.494 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](COC)C(=O)OC)nnc12 484365820 HMZLSVLUEDSCEH-CYBMUJFWSA-N 431.474 0.627 30 20 ICED CCO[C@H]1COCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484637793 LMWVVEQYFDMBNF-MSOLQXFVSA-N 436.534 0.175 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 499263913 BEALWCQCSMEOJP-SNVBAGLBSA-N 429.296 0.657 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccccc3S(N)(=O)=O)C2=O)cc1 503114385 DZUNSWVAUICXFC-KRWDZBQOSA-N 427.486 0.806 30 20 ICED CN(C)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)Cc2ccccc2C1 506404023 FODVBZXBJRTFDA-UHFFFAOYSA-N 432.528 0.817 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1)C(N)=O 508980119 PQCPYKJFOSQMSY-UHFFFAOYSA-N 443.504 0.903 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)cc1 509415412 MHBHFGXHYBTBAR-UHFFFAOYSA-N 435.483 0.982 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512115480 ULRDWTAJUHNGLY-UHFFFAOYSA-N 436.469 0.656 30 20 ICED N#C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@]12C(=O)Nc1ccccc12 513986102 WLHMYXRUWPPEAH-OYHNWAKOSA-N 435.488 0.826 30 20 ICED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003470 OSHMIFPFCNWWMV-BLVKFPJESA-N 446.510 0.587 30 20 ICED COc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516044442 JYCHRPUDSLHERY-UHFFFAOYSA-N 429.458 0.433 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 519439554 URPVTJMKTKUWID-CQSZACIVSA-N 443.529 0.826 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 521821128 WHDBGRZZJPNWNY-IAGOWNOFSA-N 435.550 0.146 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(C#N)cc3OC)C2)cc1 526597039 HURBGELHYINPFL-UHFFFAOYSA-N 444.469 0.703 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1cc(OC)ccc1OC 532394241 KSHXFPLZEZDIKT-UHFFFAOYSA-N 436.493 0.869 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1)C1CC1 532927501 YQFZVNWVLQMTDN-IBGZPJMESA-N 432.506 0.383 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 538104492 GWWISHVICYUYPH-SSUCQYSQSA-N 430.465 0.901 30 20 ICED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 544638109 KBRMHDUUOIFUPF-UHFFFAOYSA-N 426.454 0.484 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)CC1 544863110 ODLBOGLWMHREOK-UHFFFAOYSA-N 447.543 0.988 30 20 ICED CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)s1 547961883 VGYRQNPTEUSRTO-LBPRGKRZSA-N 445.566 0.863 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)n1 550173702 DYAQFHZNRFLPEK-NRFANRHFSA-N 448.527 0.792 30 20 ICED COc1cccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1OC 550772396 GTYGWBHODXHOIC-UHFFFAOYSA-N 440.504 0.625 30 20 ICED Cc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 555443054 FDRLCSRWZRRLAD-CYBMUJFWSA-N 436.515 0.935 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 556369985 VCVYUIFCSQUNCZ-IBGZPJMESA-N 426.565 0.202 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 561147603 FURYIZRUBNXENS-MSOLQXFVSA-N 429.496 0.573 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 579936560 VVJHTLJZSJCNJV-IBGZPJMESA-N 432.484 0.519 30 20 ICED COc1ccccc1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589300373 RHLFSNORZQUUKX-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 603797002 ULBCOLHRBCEUPC-UHFFFAOYSA-N 444.532 0.410 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 617022545 MGIRUFIPNNCFET-YVHKJVDXSA-N 438.488 0.679 30 20 ICED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 682276344 KCOFWPYSNOEUDM-QHCPKHFHSA-N 447.539 0.943 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccn3)c2=O)c1 726579615 KTVTUESBGLYEAR-UHFFFAOYSA-N 444.516 0.931 30 20 ICED CCN(CC)CC(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 728906143 QXCBOHBOSADNQA-UHFFFAOYSA-N 426.521 0.766 30 20 ICED C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 729629214 TVVXWMCUEYWFMK-MRVPVSSYSA-N 443.366 0.973 30 20 ICED CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730723751 LHKGIAZLHOAPHL-MEZKORTJSA-N 441.517 0.879 30 20 ICED CC(C)C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 731863444 WMGKQVOQAQCCGI-IHCANNCPSA-N 428.489 0.995 30 20 ICED C#CCSCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 739898728 CIUDCCQPEDWJDM-UHFFFAOYSA-N 428.536 0.984 30 20 ICED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 741700117 AJDWUBMLBHFDPS-KRWDZBQOSA-N 439.497 0.680 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 742146443 DOOFRBZTGZYGFN-UHFFFAOYSA-N 447.536 0.727 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCc1cccc(C#N)c1 745357688 VCGCVKSICAKBQM-ZDUSSCGKSA-N 433.490 0.435 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 749639442 KRKBNMUBDXWCON-UHFFFAOYSA-N 434.518 0.765 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)s2)CC1 750397934 TVMKZAIYUQEGHR-UHFFFAOYSA-N 438.487 0.915 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)[C@H](C#N)C1 755549543 HICQSBUYGYSZBR-UKRRQHHQSA-N 445.476 0.755 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 756805884 SPEHSQMXSOHENA-ZDUSSCGKSA-N 431.547 0.581 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnc(C(C)C)s2)c1=O 758067829 IMRHAXNOQJTICA-ZDUSSCGKSA-N 430.555 0.777 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 761035595 AXNACZHESPQSTQ-CQSZACIVSA-N 442.563 0.645 30 20 ICED COC(=O)C1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)OC)CC1 770249019 XTIULKAAHAKHRQ-UHFFFAOYSA-N 437.474 0.116 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)[C@@H]1CCCO1 773790217 ARXGORHTHCDXFB-MJGOQNOKSA-N 446.479 0.722 30 20 ICED COc1c(Br)cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 774392139 AXEZSGODSNKQLZ-UHFFFAOYSA-N 431.268 0.168 30 20 ICED Cn1c(N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c(C#N)c(=O)n(C)c1=O 776828973 OKKTXZNNYXEAHT-CQSZACIVSA-N 446.508 0.004 30 20 ICED COC[C@](C)(CNC(=O)[C@@H](O)c1ccc(C#N)cc1)NC(=O)[C@H](O)c1ccc(C#N)cc1 780943061 HMYSQAXEGABSLP-MZKRTTBSSA-N 436.468 0.834 30 20 ICED C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)N(C)CCC#N 782340586 ASNPXYVIICUJLZ-BJJXKVORSA-N 427.454 0.253 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NC1(C#N)CCC1 784187124 OUOOTQVQCQXDEO-LIRRHRJNSA-N 445.497 0.973 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C#N 788276426 YPXJLFNMQIXOTK-UHFFFAOYSA-N 442.524 0.254 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 793414012 PPIOJLOQAYCIMB-QHCPKHFHSA-N 426.517 0.929 30 20 ICED N#Cc1ncn(CCN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 795183942 NJJXTUYDECLAII-YZNZPZSRSA-N 438.517 0.756 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2cccc(F)c2)c1 795322914 BRRFUBIYNJVXDN-UHFFFAOYSA-N 435.433 0.714 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)CO)c1 797377806 QWKXSSAMFDWDKN-NDWLXSOOSA-N 440.522 0.078 30 20 ICED CCOC(=O)[C@@]1(COC)CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 799065256 LQXQLZHTTKSFSA-FQEVSTJZSA-N 437.518 0.934 30 20 ICED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 802143745 ZMBGKYFCXJVXKB-YWMAMYRUSA-N 435.506 0.569 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 803861254 XCSAQCMUMGNBMI-FWHMADFJSA-N 438.506 0.718 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 804259005 NHNNHMWQWKUMGJ-UHFFFAOYSA-N 447.540 0.622 30 20 ICED C#CCN=c1nc(N2CCC(CCC(N)=O)CC2)[nH]c(N2CCC(CCC(N)=O)CC2)n1 804587592 ULCFNNNCDNBJQX-UHFFFAOYSA-N 442.568 0.302 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c(OC)c1 805444167 ROMAZDLPVDHAAF-FVGNFYTDSA-N 442.472 0.837 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 805698465 MSIHRMCUNQOYES-MRXNPFEDSA-N 436.486 0.557 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 806421703 XJKWYVKRZFHXCY-HXUWFJFHSA-N 437.500 0.803 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cn1 810457733 NGASLUFNILEZOI-GFCCVEGCSA-N 449.393 0.995 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)c2cc(O)cc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 811186707 VJPNDQIUQZVDMZ-UHFFFAOYSA-N 434.408 0.794 30 20 ICED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 811187697 LMPQEZDJHRIWBD-OAHLLOKOSA-N 438.506 0.589 30 20 ICED CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1[C@H]1COc2ccccc2O1 814741901 UHIJLWQECDYZGJ-CYBMUJFWSA-N 435.491 0.813 30 20 ICED COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821739880 RHDOALWYTQMMPW-UHFFFAOYSA-N 448.413 0.824 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 831748906 RJSDJSCGTSGNQE-DJJJIMSYSA-N 438.506 0.909 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCNc1ncccc1C#N 917156337 QQGPMTMEBLLACH-UHFFFAOYSA-N 445.501 0.825 30 20 ICED CC(=O)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1286857494 SGSJTAIGOHXENG-DLBZAZTESA-N 438.492 0.913 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1300856793 LIAJWYUHFOFAMR-GFCCVEGCSA-N 425.287 0.950 30 20 ICED N#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1309998895 MKCCFNNSNBUIRU-UKRRQHHQSA-N 426.520 0.919 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCN2C1=O 1319087397 YDTZXDIDBZMJAM-HOTGVXAUSA-N 438.444 0.258 30 20 ICED C=C[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1321270861 MAUZDTUKMWRJHH-MRXNPFEDSA-N 439.534 0.626 30 20 ICED Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1510867228 RYSQUBADUKYCRO-INIZCTEOSA-N 434.460 0.710 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1555809717 ZYDTWYVAUQEAGY-NVXWUHKLSA-N 443.533 0.410 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CC1 1559897578 RPDVOSSLUYUNBJ-JZXOWHBKSA-N 438.575 0.345 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1589394615 KFLCJWLGSIOINF-LBPRGKRZSA-N 427.303 0.433 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1638898623 SUQABMMKUOCSSW-RHSMWYFYSA-N 437.518 0.757 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(N2CCOCC2)CCOCC1 1686728851 KLRKCNLOWRERJI-QGZVFWFLSA-N 429.525 0.450 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723951928 FNOBNIYDNFBGIF-GMBSWORKSA-N 439.586 0.472 30 20 ICED CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751049712 PDVLFOWVUYUUHG-HOCLYGCPSA-N 425.559 0.490 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1778948375 HIFYIFDGEOEJPY-AOMKIAJQSA-N 427.505 0.638 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1779337127 ICMAALJGEQFWCR-STXHMFSFSA-N 437.566 0.984 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781296777 VMPNIFFXRCPPLL-KSFYIVLOSA-N 449.504 0.764 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3cccc(F)c23)C1 1781394106 CLRRXCXYQWJYAZ-QVKFZJNVSA-N 428.420 0.918 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781430444 YPBQRNOPONCVHD-YITPPGKRSA-N 433.509 0.928 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783197485 LGPWFOUOKWGGRO-SFHVURJKSA-N 426.420 0.754 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21 1783530275 OSZJYZDJEKLBLX-OECAHVLASA-N 433.896 0.582 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)O1 1784575034 FNNQGMBYAIAKKW-DKIMLUQUSA-N 431.876 0.780 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)cc1 1784575424 VLNOURYNQSOXND-VJANTYMQSA-N 426.473 0.579 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1785522760 HRXZKUNHCSXYFA-ACIVSAMGSA-N 439.509 0.935 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1 1789255776 DETATESJMCNCSL-VDGAXYAQSA-N 431.489 0.823 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc5ncnn5c4)C[C@@H]32)c1 1789345053 NRJYPGRAPFVMBV-LNLFQRSKSA-N 433.472 0.765 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789768204 OOORZRKBZUHJGR-MILMJNAHSA-N 433.549 0.958 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1cncn1 1791619927 UUSHVEAHWMMJOK-HYJFEMIMSA-N 438.488 0.769 30 20 ICED NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794268597 GKXAXPVNFZYBMW-GBZOZTMXSA-N 425.445 0.096 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)ccc1F 1794566535 NQOSUZSMXQDIBC-YVWYUNDQSA-N 425.420 0.639 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796078113 CMHYNSYYSFLHPF-ZIEJDFEHSA-N 427.548 0.148 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2 1797814837 ANRGRXVJLXNOOH-NYIFICOLSA-N 437.884 0.862 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Cn2cncn2)C3)c1 1798578377 HDRNOVJVSCCRDY-XUMLPFHTSA-N 438.488 0.698 30 20 ICED COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237292 GDZVTGPROMCCKU-FAQVEIGNSA-N 429.473 0.652 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)N1CCN(C)CC1 1799643778 ZOSOZNJPTDYUGG-MVWVFHAYSA-N 439.560 0.592 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680915 YCGRKXDWGGNIFW-JTTNIQEDSA-N 431.555 0.374 30 20 ICED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1801443954 GCSHGCXMYMHEAK-UPHUGPLXSA-N 436.468 0.748 30 20 ICED C#CCCC(=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 1802025385 YSNGFBIGEQRBFU-FSNPWBFUSA-N 435.521 0.217 30 20 ICED C#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)C2 1802128081 YBIWVIKYGWKXSZ-CWQOZTLDSA-N 436.553 0.491 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807741902 GRCNNLSOFBHXEQ-PPHDSNJXSA-N 449.558 0.871 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810246202 UMEQUBFJAUWFBE-OVWQWFNUSA-N 443.504 0.259 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)c(=O)nc1O 1814036048 XMCRCGZFFZKZQV-AEFFLSMTSA-N 438.488 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)n2cnnn2)n[nH]1 1822849899 AAOLKIBZYACVSO-UDMBRALOSA-N 427.469 0.508 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825250722 KPJSYYLDOACXRO-PSASIEDQSA-N 427.433 0.865 30 20 ICED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)COC1 1829628902 ZDPFLHUJWJIKOP-HSZRJFAPSA-N 427.501 0.984 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1829783621 SOVCKPRBWFUSMD-NRFANRHFSA-N 440.610 0.919 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)cc1 1829907425 KRDUQIUOVVZILA-QHCPKHFHSA-N 436.468 0.972 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469556 BLJZJHDJWRAQMJ-KSFYIVLOSA-N 447.919 0.673 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1831387602 RAXWFDTVMVOAKZ-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831419274 LZLBMESFAJKVRM-HRAATJIYSA-N 434.493 0.048 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1832457446 PQQXKJWBKLUFNN-LJQANCHMSA-N 436.490 0.164 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)cco3)CC2)CC1 1833076085 SQUUAEHSPNSFTB-ARJAWSKDSA-N 442.516 0.683 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120766 PXOWQHBFFAKEFE-OKQJOYLDSA-N 447.492 0.005 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1 1833465930 WPIIDHLDHZTBAP-KRWDZBQOSA-N 438.532 0.953 30 20 ICED Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834338871 ZVHPTKZBJIJEKJ-JOCHJYFZSA-N 431.489 0.752 30 20 ICED C[C@@H](Nc1nccs1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835105848 KFLFNBDNBHBWNI-CQSZACIVSA-N 433.534 0.603 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]cnc4-c4cccnc4)C3)C2)CC1 1835345635 RPZLPYHRFXGMIT-QFIPXVFZSA-N 436.472 0.845 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835713509 ZJGSGQLVRLBWPS-QGZVFWFLSA-N 447.536 0.646 30 20 ICED Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732178 RWRITGSZRKZNJA-HZHRSRAPSA-N 430.557 0.472 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169510 UPZACQBSRDRRSU-OAHLLOKOSA-N 443.552 0.779 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837394453 AXEASOSCQYSTMW-LIRRHRJNSA-N 427.885 0.971 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443815 KDTJNBMBYPPZGG-MHRHTVJOSA-N 432.525 0.568 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccn1 1837446592 FBUAHQHXDZGURI-DJHMHYBJSA-N 432.525 0.372 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccnc1 1837527275 ZTRHNHZFWMKKJO-RSLVCRIZSA-N 449.508 0.430 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837881754 MAGPONPNMWINPL-CPUXBYDOSA-N 447.536 0.290 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4[nH]cnc4-c4cccnc4)CCO3)C2)CC1 1838495989 OXVBAKJSCVUDRK-JOCHJYFZSA-N 436.472 0.845 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(F)c1 1838732631 XLEABPVQQLUREB-NRFANRHFSA-N 443.435 0.813 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840192 YUXUHMVPQBSCRZ-AOMKIAJQSA-N 449.504 0.760 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839068101 VDJFVNSQADMCBY-PGRDOPGGSA-N 437.537 0.294 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839217023 AIAMUBRWAMLVNL-YYDVJCTNSA-N 430.501 0.949 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1839227682 JAJUXEDEAGCCLZ-KKSFZXQISA-N 433.509 0.700 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO3)C1 1839384493 IYABPTMRFCTCHO-KKSFZXQISA-N 439.509 0.252 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422823 OQQJTMVTFZPTFI-SZNDQCEHSA-N 448.907 0.793 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1839452981 HZNRDMBZCGCUAE-CVDCTZTESA-N 440.500 0.558 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839581016 ADLSJULJFGMPQK-QHCPKHFHSA-N 446.548 0.962 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839637700 QQFXUOPAPCKOSZ-WZONZLPQSA-N 428.533 0.897 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840061190 HZTDNCOFSUSJPI-OAQYLSRUSA-N 431.493 0.139 30 20 ICED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)COc2ccccc2C#N)C3)CC1 1842829577 YDKLWTOQCHTLGW-UHFFFAOYSA-N 425.533 0.778 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674683 JJVHQYIONWUDSG-UHFFFAOYSA-N 444.451 0.857 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 409522895 ZLBYSTDXPWQKBL-HNNXBMFYSA-N 436.490 0.090 30 20 ICED C[C@H](CN1CCOCC1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434701896 INJDODGEJIFUIM-GOSISDBHSA-N 449.577 0.044 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 435097985 ITFZWVHOVUQOLB-QGZVFWFLSA-N 426.539 0.650 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 435951080 UZWWWFGIAPAVLN-MRXNPFEDSA-N 442.490 0.190 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)CCCOC)cc2)C1=O 440252167 FOGVRAIKOJJPIY-QGZVFWFLSA-N 437.518 0.681 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 440999263 KVGZSBKMXNAUSG-OAHLLOKOSA-N 444.410 0.589 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 442339086 BEJLOYCZPCJKKA-HNNXBMFYSA-N 437.416 0.889 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 445199682 YTGLIFZMWFBJRA-GXTWGEPZSA-N 429.351 0.963 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 464811540 UGJJXSCYBNMHGT-FUHWJXTLSA-N 428.541 0.511 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)c1C#N 472870879 GDKBOVQEKVSIMC-UHFFFAOYSA-N 433.476 0.527 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2=O)cc1 476460286 MJMRRQBYEVWAHX-IBGZPJMESA-N 439.516 0.731 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)n1 484404825 YNFJZUAMFWWXMQ-CYBMUJFWSA-N 426.437 0.913 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 489039382 LNGLLJNJELDBIN-SFHVURJKSA-N 439.537 0.351 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489150490 XJHVILQEJFASMF-UHFFFAOYSA-N 427.482 0.078 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 491200745 MFNSKPCPIVRFFA-SFHVURJKSA-N 443.548 0.465 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2)c1=O 501779954 ZUAWUTRYSJHZTN-UHFFFAOYSA-N 441.509 0.653 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 508839053 BUDRNKBUHREGJP-HNNXBMFYSA-N 431.522 0.595 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 511964635 NCCGOJWQOYKMKB-UHFFFAOYSA-N 449.470 1.000 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513289577 PYRMGECGGDGRNB-WFASDCNBSA-N 448.480 0.656 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1cnn(CC)c1 523182798 BCVHVGREWJYVBM-UHFFFAOYSA-N 435.509 0.929 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)cc1OC 535549174 QDPZYPUSBXQSRW-UHFFFAOYSA-N 449.533 0.666 30 20 ICED C=CCn1c(Cc2noc(Cc3ccc(S(N)(=O)=O)cc3)n2)nnc1N1CCOCC1 545638898 MCVDHQQKZDLHDD-UHFFFAOYSA-N 445.505 0.513 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 548820214 CWKISKWCNOVELI-UHFFFAOYSA-N 443.525 0.317 30 20 ICED CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC(=O)NCC#N)cc1 553761911 RHORMJHJCQOTBD-INIZCTEOSA-N 436.534 0.273 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 558168935 CDMMHIFXEZOWBY-UHFFFAOYSA-N 432.912 0.289 30 20 ICED CCOCCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C 564035883 YZYNFNWGCPAFRY-OAHLLOKOSA-N 428.468 1.391 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nccn2CCc2ccccc2)CC1 567787088 KGFXAXNZKQNWSG-UHFFFAOYSA-N 438.532 0.188 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 569973405 HTDFBBNGNBPLSN-UHFFFAOYSA-N 433.432 0.225 30 20 ICED CC(=O)N1CCN(C(=O)Cn2cc(I)c(C)c(C#N)c2=O)CC1 571928990 HBPNBMJPBKIZOO-UHFFFAOYSA-N 428.230 0.324 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 577139201 LRNCUDPTTAOSOE-AZUAARDMSA-N 449.502 0.273 30 20 ICED N#Cc1cccc(S(=O)(=O)NCCN(CCO)S(=O)(=O)c2cccc(C#N)c2)c1 580125666 VCFCBWRCYJKGRS-UHFFFAOYSA-N 434.499 0.391 30 20 ICED COCCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 581906301 RGVCZHUTOLFPKY-FQEVSTJZSA-N 442.516 0.819 30 20 ICED COCCOCCc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]1 582499193 MPBOIMQFQNLWSH-UHFFFAOYSA-N 447.517 0.634 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 588108461 VNIDNVVUSLDIJV-KRWDZBQOSA-N 437.500 0.924 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(N)=O 589156895 CTGALWOLEHEUQZ-CQSZACIVSA-N 443.525 0.539 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 603989237 ZHSILTXQVTVEKJ-UHFFFAOYSA-N 429.498 0.357 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 609074521 UBFKQWBNNAGOQE-UHFFFAOYSA-N 438.431 0.232 30 20 ICED CN(CC(=O)NCCS(=O)(=O)NCC1CCC1)S(=O)(=O)c1ccc(C#N)cc1 609462130 WVNOAWLXARDPGK-UHFFFAOYSA-N 428.536 0.014 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)c1 610562029 VUNMKGRQLJGKPH-UHFFFAOYSA-N 438.491 0.678 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732908533 NVGWHPAHPFNETC-WBVHZDCISA-N 432.502 0.896 30 20 ICED CN1CCC[C@@H](N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 734454092 SWMYQXJJJYCKSG-QGZVFWFLSA-N 433.578 0.744 30 20 ICED C[C@H](CC(=O)OCC(=O)NCC(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 745497540 WASQFFYJOAFYCH-GFCCVEGCSA-N 438.506 0.078 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1C#N 752405919 UHUVVIVEWDQOIL-UHFFFAOYSA-N 427.421 0.989 30 20 ICED CCc1c(C(=O)OCC(=O)N(CCC#N)CCC#N)cnc2c1c(=O)n(C)c(=O)n2C 754348730 VQLMZAYHUXXNEQ-UHFFFAOYSA-N 426.433 0.007 30 20 ICED Cc1ncc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 755888379 UWFOUIVRKBJXTI-VIFPVBQESA-N 428.517 0.774 30 20 ICED CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(S(C)(=O)=O)CC1 758753104 OKCANXOSVZXQKR-DZGCQCFKSA-N 429.543 0.811 30 20 ICED N#Cc1cccc([C@@H]2CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 761763290 PXSYABUFWHYZQC-FQEVSTJZSA-N 428.514 0.938 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccn(C)c2)c1=O 763444754 BVQGFBWSGQNEDY-UHFFFAOYSA-N 427.574 0.716 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CCC 770601951 FRYLQTHZBRQMGY-AWEZNQCLSA-N 430.552 0.987 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)nn1 770857448 CTUMKQWNNLFJOH-UHFFFAOYSA-N 425.489 0.797 30 20 ICED Cn1cc(S(=O)(=O)NCCNc2ncccc2C#N)cc1C(=O)NCC(F)(F)F 775694411 KHKRQOZDJRCWTA-UHFFFAOYSA-N 430.412 0.974 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 785011348 XZSUBDVYJDNWQC-DSJDPDHUSA-N 447.517 0.317 30 20 ICED C#CCN(C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCC1 785646525 KSTNNQLSEZLION-UHFFFAOYSA-N 447.557 0.869 30 20 ICED CN(CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccnc1 787060380 MIYRIMWAHGHAHZ-INIZCTEOSA-N 431.430 0.636 30 20 ICED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787756144 YWPHUKNUULYMND-ZDUSSCGKSA-N 430.490 0.267 30 20 ICED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813980798 MKSDSARJLJUUIZ-UHFFFAOYSA-N 428.879 0.976 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 825228497 BXMHOBIOGGXFHF-UHFFFAOYSA-N 441.462 0.071 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844201862 AVAKSWFLNQSPRS-UHFFFAOYSA-N 433.471 0.754 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 849120920 DGYLENLACPPKID-IBGZPJMESA-N 436.490 0.617 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCCN1CCCC1=O 914996165 WZJSMPHVCUNZPS-UHFFFAOYSA-N 426.477 0.822 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916918455 MNSMCGJRWZZZOD-QGZVFWFLSA-N 432.502 0.311 30 20 ICED Cc1cccc(OCCNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 917229681 KBXLSGIKPQDADG-UHFFFAOYSA-N 431.470 0.883 30 20 ICED N#Cc1nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)[nH]c1C#N 918781570 FVRVDPMFMCWILL-NSHDSACASA-N 426.414 0.729 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1264322258 WPKQSQVUGURUAO-CYBMUJFWSA-N 436.519 0.971 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1297706380 KDDIPHWDGJVKKX-HNNXBMFYSA-N 429.568 0.745 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1303627405 JYCAIXCYLCLQQH-LSDHHAIUSA-N 446.537 0.945 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1315067904 SFQTYBWAEHAGRR-QGZVFWFLSA-N 445.549 0.679 30 20 ICED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 1326381541 PJQMKHMQHCOJRQ-HNNXBMFYSA-N 439.559 0.852 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1337108225 FUQYGFHYDMKYLS-HOTGVXAUSA-N 433.490 0.303 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccn1 1360708603 ZVEJGVYRWFFJSE-CRAIPNDOSA-N 444.565 0.703 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1499308241 SUVOSQLECMFPJR-GOSISDBHSA-N 437.504 0.780 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1503822404 KQCCLOIPMRZAEB-QGZVFWFLSA-N 438.536 0.999 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1554358829 USEIBVCZOCUHDX-NRFANRHFSA-N 425.493 0.122 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596831994 RVYXMPUYCVJYML-ILXRZTDVSA-N 444.583 0.058 30 20 ICED N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1620357233 SVAYYHHZAZEBNG-LJQANCHMSA-N 436.538 0.194 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)CC)CCOC1 1696085430 IAZDXUOBHZYVBG-UWJYYQICSA-N 431.541 0.585 30 20 ICED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1766865710 UMYXVRPLFZDTCT-UHFFFAOYSA-N 432.488 0.951 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CC1 1778354946 SQUHCLPNHKTYBP-HSZRJFAPSA-N 439.516 0.166 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1778779628 PZIHNZHIQVGWTL-SIKLNZKXSA-N 444.488 0.385 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1778967078 BWMAJUAFZKNLAQ-ZBEGNZNMSA-N 440.390 0.745 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779101246 IYBNPAFSCHNCTK-XGVOGHQPSA-N 442.476 0.702 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779255693 SPXBSTXUGSNWSN-FDDCHVKYSA-N 433.549 0.820 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779442234 FFGKPEFBULKWSW-QKVNLTODSA-N 446.548 0.935 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779467478 PFQLXUYNVXOUGO-ZHRRBRCNSA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780031988 SCUDSICESMIWRJ-OAQYLSRUSA-N 429.477 0.536 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190140 LTWNBLIMGCCEEI-LAUBAEHRSA-N 448.907 0.806 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781296780 VMPNIFFXRCPPLL-OPAMFIHVSA-N 449.504 0.764 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781465954 SYBIVGQHUOERKT-AQOAWAETSA-N 430.505 0.667 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782060 BRUBJSUDJBIEHA-LJQANCHMSA-N 436.490 0.506 30 20 ICED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565380 SISVUOMOPNTWBV-WCJKSRRJSA-N 449.504 0.407 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CCO2)C1 1783890334 XXRZSZHOXUQDKB-SIFCLUCFSA-N 443.566 0.771 30 20 ICED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784375993 LGRFNYZZBLKXMF-SLKBMVJISA-N 435.569 0.744 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1784505064 BGTMAUIMUGNDQT-FYQPLNBISA-N 434.581 0.337 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CNC(=O)O5)[C@H]4C3)c2c1 1784584113 WQHCFZPZHNZVAA-CSFVBSKPSA-N 438.444 0.136 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1785574899 WDYYOWXWLVHRNK-QVKFZJNVSA-N 446.508 0.473 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789930003 XONMQVYNDUYGQX-YXMSTPNBSA-N 445.582 0.560 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1790831268 SJIKIJOFRTZYGT-OVWQWFNUSA-N 432.477 0.948 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1790865162 PXIIETAMJJGRJD-DVMWJLJYSA-N 426.517 0.995 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1791286648 RXRLBGFZNNVAID-VDNWNZSNSA-N 429.473 0.767 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836495 KIALUSZVZKHZIH-CWPLJXCYSA-N 448.976 0.765 30 20 ICED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793374221 AOFQKJASNJFYEG-CEQLMSFQSA-N 426.517 0.995 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CNC(C)=O)c1 1793471612 JHZLONGFUFPCPB-OPVJXMOQSA-N 442.516 0.932 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2Cl)C3)CC1 1797237505 CHSDUOAPYZRSLS-UPHUGPLXSA-N 445.951 0.662 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797560153 PUNIYCWUSFNQCL-HGKCTWBKSA-N 427.461 0.442 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1797811642 DXWILRKBWDVQRC-SJSYYZABSA-N 442.476 0.462 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818552 RNELSKQUKMNMFX-KJCJHMIBSA-N 439.509 0.694 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201076 FPZFWSFORYYIDD-KMOPNRPKSA-N 430.505 0.381 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2 1801600004 QSNSZLKCRDHZON-OREBXVKISA-N 432.521 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1802499860 VOVAEWXDIVHELW-GUMPUFBISA-N 436.516 0.922 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1802844506 RKJZIHNVGYJGMQ-YAMFKCPCSA-N 440.504 0.807 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803603664 JXTVSBCIHNKTRX-FSDCSDTHSA-N 433.534 0.640 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)c1 1807058236 JWMQUULTYVUBGR-OXJNMPFZSA-N 435.488 0.765 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1807145582 NRHLZHMVVWDCCZ-TZIWHRDSSA-N 442.564 0.701 30 20 ICED N#CCC(=O)N1CC[C@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1807354350 QSMLSYQLJJJXBB-DNVCBOLYSA-N 438.513 0.906 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807944167 NQVZCCYMUTURDS-BBRMVZONSA-N 435.448 0.077 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)ccn1 1808927298 XQXXSBNJELBREC-DYESRHJHSA-N 435.440 0.843 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1812675630 VJPOKZUAZAXOGR-YDHLFZDLSA-N 439.394 0.804 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1814976460 OQNJVWYYKOERSM-AWEZNQCLSA-N 434.566 0.669 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817236825 YJSIMIWQFIETCO-TZMCWYRMSA-N 444.429 0.928 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](NC)C(=O)O)CC1 1823744162 OGBWECKGFOQREX-OPDSQHBBSA-N 434.537 0.527 30 20 ICED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824667684 QVONECNZOMCOCH-LBPRGKRZSA-N 438.506 0.581 30 20 ICED CNC(=O)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC#N)C2)C1 1828576793 LCZRWZBXXDIXAL-QFIPXVFZSA-N 441.488 0.488 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncoc4c3)C2)C1 1831393285 WEPHKLJLBJBIRO-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831398384 AJYWHDUZWLMSMQ-JTSKRJEESA-N 426.473 0.443 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831492234 JDVJHMNVBIUTIV-PXNSSMCTSA-N 433.534 0.754 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831492294 JJGCBHZXFNHTRI-VPWXQRGCSA-N 437.566 0.688 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1C)CCO2 1831834802 HMTUZMQFFMZNNY-QFIPXVFZSA-N 431.489 0.969 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)on1 1832569021 USTIIWOESDKSJR-FFCJBUTOSA-N 430.461 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnsn3)CC2)CC1 1833073962 TVNXVLBTEVHWPJ-ARJAWSKDSA-N 432.550 0.582 30 20 ICED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1C(F)(F)F 1833325998 DVZDGHMIKZRADS-QGZVFWFLSA-N 429.399 0.813 30 20 ICED CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833486255 SWCLVOLFEYKCOZ-UHFFFAOYSA-N 448.612 0.755 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2)c1cccs1 1834383644 DIYRSJISZNSRIG-SHTLVRLNSA-N 444.513 0.840 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435032 DGPSYVZFKUAVGH-OYPNYCBZSA-N 438.506 0.742 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1835350625 VUDNNMWBADPOFA-FQEVSTJZSA-N 435.502 0.003 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835499139 WGGXXZRWDNGCQZ-FOIQADDNSA-N 431.518 0.656 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1835713515 HVEZNKZECYBXOB-SFHVURJKSA-N 431.537 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccsc1)CCO2 1836000411 ACDHGLGEMZMWCR-NAMKQITDSA-N 447.557 0.996 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140133 FNUFVFYGBJCLMK-SFHVURJKSA-N 431.537 0.528 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(Cl)c5nncn5c4)CCO3)C2)CC1 1837370233 KBCODOILHZMGSB-FQEVSTJZSA-N 444.879 0.756 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1837397833 WIZRMAHBWDJGPH-AVRDEDQJSA-N 434.537 0.382 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837488656 NKEAJZXDRXTGIT-QHCPKHFHSA-N 442.516 0.174 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524224 CBIIHYCXVLMINZ-WWCXEQRYSA-N 447.492 0.384 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3SC)CCO2)C1 1838280513 MFHQBWWHOMVRKW-KKSFZXQISA-N 433.530 0.912 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1838795830 QQBABFKJNLJMMP-QRWLVFNGSA-N 431.518 0.656 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cc2C1 1839620791 QZTONPNYPVVVCK-JOCHJYFZSA-N 444.536 0.338 30 20 ICED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840524286 VRCBLDJIAFYNOB-HSZRJFAPSA-N 445.516 0.992 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3ncc[nH]3)cc1)CCO2 1840747913 OWKPRUKYKVKWBE-JOCHJYFZSA-N 438.440 0.235 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844288843 XFZDJHMNFQWBOC-IBGZPJMESA-N 443.456 0.635 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCOC)Cc2ccnn2C)cc1 427929569 OVWPJSLDTCQHRZ-UHFFFAOYSA-N 449.533 0.840 30 20 ICED C=CCOC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 435944279 RYPSXOFQAIZCQE-JKSUJKDBSA-N 441.462 0.608 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2C[S@](=O)CC(=O)Nc2cccc(C#N)c2)cc1 437184432 COMMSOPYEDPNTE-LJAQVGFWSA-N 444.498 0.825 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441947155 AKWXIAQVCBCUCG-JKSUJKDBSA-N 445.566 0.806 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465120802 LEGRBWRVOSRDNI-ZDUSSCGKSA-N 447.503 0.777 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 465421514 GZKFZGBMBKPAKJ-MRXNPFEDSA-N 437.504 0.964 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)CC1 468260138 NUUXHYXCLUJVBA-UHFFFAOYSA-N 444.517 0.463 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471070657 JFPTVEHFASALLM-GOSISDBHSA-N 441.488 0.572 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)s1 480956836 FDPSAKRLNUZASW-UHFFFAOYSA-N 442.522 0.678 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCCSC 482556299 JMDDISALRICHCI-UHFFFAOYSA-N 448.595 0.862 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(-n4ccnn4)c3)C2=O)cc1 488646695 RGSOTSGHVYFUDT-IBGZPJMESA-N 429.440 0.995 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 489195333 JCPPMJMBLRTBJI-SFHVURJKSA-N 440.481 0.348 30 20 ICED C=CCN1CC[C@@H](N(C)Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1=O 500026065 QNXNDYHQIRVVFT-GFCCVEGCSA-N 448.501 0.705 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c(F)c1 504915075 QQFBQBSXUYXWOH-HOTGVXAUSA-N 434.493 0.382 30 20 ICED C[C@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1cccn1 506035206 NPQAMRKZNPYMNC-MRXNPFEDSA-N 444.517 0.307 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508840498 LICLWLNISMZMAD-NVXWUHKLSA-N 447.565 0.423 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccon2)c1=O 512721387 USKOOJVIGFOWCW-UHFFFAOYSA-N 426.502 0.438 30 20 ICED CCn1cc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 521535735 OEAVJLMQZOYSFU-SFHVURJKSA-N 442.501 0.413 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 524196352 JRMKYJHRADNLTD-UHFFFAOYSA-N 428.489 0.405 30 20 ICED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 530653403 BDHLAUHDIITHOC-UHFFFAOYSA-N 438.465 0.853 30 20 ICED C[C@]1(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)NC(=O)NC1=O 537254042 JEROORHXSJYACV-IIBYNOLFSA-N 444.561 0.767 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 542829500 TXRDHYISCGLBJF-UHFFFAOYSA-N 449.537 0.251 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550442156 CHXOADKYYQNGHQ-ZDUSSCGKSA-N 436.266 0.112 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)CC1 555826248 HOTRIAQCXDIFKP-UHFFFAOYSA-N 428.411 0.648 30 20 ICED Cc1nc(Cn2nnc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2C)no1 560793074 ZUXLCORXJUXUOV-SNVBAGLBSA-N 430.450 0.503 30 20 ICED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 572534482 FBDZCHJXHLUPAM-UHFFFAOYSA-N 435.506 0.216 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 573989047 FYMNNRZWWZJBQL-UHFFFAOYSA-N 429.569 0.262 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 576509030 PWBVQBSIQHBDRJ-TZIWHRDSSA-N 442.541 0.836 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 579744958 YBNLDNJDMPRNMW-AWEZNQCLSA-N 440.460 0.582 30 20 ICED COc1cc(OC)cc(N2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 588124567 CBVDATCBTXNPRF-UHFFFAOYSA-N 429.521 0.847 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c(=O)n1C1CC1 604499082 BQSOQCBWYJPNBD-UHFFFAOYSA-N 441.509 0.662 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609128660 MHICDHREMKREFR-MRXNPFEDSA-N 440.460 0.582 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3c3ccccc3F)CC2)o1 612182010 QDJPSZRKEFWATP-LJQANCHMSA-N 426.452 0.816 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 673734659 HNVQMQNCTWVMDZ-OAHLLOKOSA-N 432.502 0.812 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)C(C)(C)C#N)CC2)cn1C 726201327 XTAYWOQDLWAFKC-UHFFFAOYSA-N 425.511 0.433 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n(CC=C)c(S)nc3c2)CC1 729281573 HUODEJDRKJHPRP-UHFFFAOYSA-N 439.541 0.769 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(OC)nc1 732563539 CKTOKMDECHNNLX-UHFFFAOYSA-N 436.497 0.324 30 20 ICED C#CCCN1CCC(NC(=O)CSc2n[nH]c3nc(=NCC)nc(NCC)n23)CC1 740735715 NKPUNPUAGRDXAV-UHFFFAOYSA-N 431.570 0.501 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 742251562 VBMGTANJKYGXQP-UHFFFAOYSA-N 425.577 0.791 30 20 ICED CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496323 LMRWGFMVQYOWOU-STQMWFEESA-N 438.506 0.917 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746568461 YNNZDRAPZSHKAX-UHFFFAOYSA-N 431.470 0.956 30 20 ICED CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCOC2)C1=O 751683722 KDPDYFZGDBQXQT-IRXDYDNUSA-N 447.561 0.964 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1 757234479 VZUBJUBJEOUMOR-WKRZDEFASA-N 448.505 0.021 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H](C#N)C1 758393271 VODUUSVFXFSYIR-HUUCEWRRSA-N 433.513 0.829 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1 767626781 IWWOIUNBHVMECK-NSHDSACASA-N 443.441 0.989 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O 767633419 ATWMTJATLJYXRE-CYBMUJFWSA-N 434.474 0.633 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)[C@H]3CCCOC3)CC2)cc1 780603321 CXFRXCOHBHIEOF-KRWDZBQOSA-N 441.531 0.584 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2OC)c2nccn2C)C1=O 785643975 RCMHNHLMJDVHJB-SJLPKXTDSA-N 425.489 0.880 30 20 ICED Cc1c(Br)c(C)n(N=Cc2nc3c(c(O)nc(=O)n3C)n2C)c(=O)c1C#N 788453794 FRCRRJRXIWBUKJ-UHFFFAOYSA-N 432.238 0.668 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)n(C)c2n(C)c1=O 789491962 OGQCHYHTINLREX-GFCCVEGCSA-N 429.383 0.493 30 20 ICED CCN(C(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 796280361 SEYKNLVXODCLTF-OAHLLOKOSA-N 438.506 0.650 30 20 ICED COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 802412816 RSRLUKMVQULADR-INIZCTEOSA-N 447.565 0.729 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c(F)c1 802571202 ORISQEZDIUMPMH-UHFFFAOYSA-N 442.426 0.739 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804010022 GDXPQHTZOJOHIH-RDJZCZTQSA-N 427.461 0.517 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 804891828 HYAZOVPABXGHAV-UHFFFAOYSA-N 440.488 0.431 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 837967086 LQXKMZZLFAHTPD-UHFFFAOYSA-N 449.536 0.826 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 918807991 HSNYGBXNUSROTO-UHFFFAOYSA-N 439.490 0.822 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COc3ccc(C(N)=O)cc3)CC2)o1 920718385 OPUZLQFATLXETI-UHFFFAOYSA-N 427.417 0.224 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1288776168 LBVHHXIGADBUEL-AWEZNQCLSA-N 445.549 0.923 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)ccc1F 1340952179 LNHNNYSYFMHXNO-UHFFFAOYSA-N 426.470 0.740 30 20 ICED N#Cc1csc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1440793397 XYNRCMIDGSKMFI-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1509757290 LEABQZMDIQKDGS-HNNXBMFYSA-N 425.493 0.920 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1517023469 LWXDFIXWHCAZAY-KRWDZBQOSA-N 443.533 0.519 30 20 ICED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1691367891 JSPIORMUTSKXQH-KDOFPFPSSA-N 426.543 0.512 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1694739407 PSXMMKDWABHAQX-HUUCEWRRSA-N 430.538 0.652 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1709143099 XEGPJIAJUAMVED-OALUTQOASA-N 428.585 0.960 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1712123299 WEMXODSHPOBHOQ-CABCVRRESA-N 442.542 0.012 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722486268 XCDMAVDNATXCAY-RYUDHWBXSA-N 432.344 0.756 30 20 ICED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749267069 OAKYHQNAXAXHNN-ZIAGYGMSSA-N 428.946 0.986 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1749808013 RAVFENXQXLBSEB-ACJLOTCBSA-N 441.533 0.589 30 20 ICED CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1760649055 NHKQUFJWKMZQRI-UHFFFAOYSA-N 437.504 0.780 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H](COC)OC)CCOC1 1765914629 YZVFZEMRRDNXHY-BBTUJRGHSA-N 434.541 0.768 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1769243333 SWGQIXGRSGEMGC-SFHVURJKSA-N 435.492 0.529 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1778112291 GAJHYHZQJUPQGG-VGOFRKELSA-N 435.569 0.554 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2 1779063589 XXAHBTFENKFTNF-NRFANRHFSA-N 430.461 0.030 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104546 BGGRHFCOUCOKSO-WXIKXJKISA-N 429.539 0.459 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779312188 ZFMZQHUXCHHOIG-SIKLNZKXSA-N 428.489 0.082 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2)[C@H](O)N1CCOCC1 1779414967 ZTFVMWZNWPVHPI-FGCOXFRFSA-N 441.528 0.203 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Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840405672 ZOBKFAQLZAHYLZ-IERDGZPVSA-N 426.477 0.723 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1840506926 XMVBSICANPABHR-QFIPXVFZSA-N 432.521 0.869 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840823560 XQDIESHLVMWCKX-DHJFXDNESA-N 427.448 0.347 30 20 ICED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843008239 LPNWTUSCYQXLTE-UHFFFAOYSA-N 431.456 0.739 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C23CCN(C(=O)OC(C)(C)C)CC3)C1 1846119201 AXKWQZNWDRVZMJ-INIZCTEOSA-N 444.532 0.586 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 10849558 SIESYOLDULIUJA-AWEZNQCLSA-N 436.490 0.695 30 20 ICED C=CCc1ccc(OCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 11624599 YJGAJJYSVAKKEZ-CQSZACIVSA-N 440.474 0.359 30 20 ICED CC1CCN(/C(N)=N/CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 305770498 OIFQXZAFUMCTBL-UHFFFAOYSA-N 432.568 0.838 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 409542113 CRHPIWBKOUOBTB-CALCHBBNSA-N 448.615 0.447 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)n2)c(F)c1 430219744 PHTGTCSDYAFMDQ-INIZCTEOSA-N 426.452 1.145 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCO1 436131708 KIKOAXAFCKFSNY-CYBMUJFWSA-N 430.889 0.536 30 20 ICED Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)NCC#N 440671871 LHLFPOWYWOIEGC-JKSUJKDBSA-N 425.532 0.979 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)(F)F 443336485 QQRYIFDQLUMASI-GFCCVEGCSA-N 435.380 0.403 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1S(=O)(=O)NCC#N 447762998 GZAKYJWZYSHRTR-INIZCTEOSA-N 440.547 0.437 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 464009342 HTFDEFRNJFYJOU-MRXNPFEDSA-N 447.430 1.197 30 20 ICED COc1ccc(C(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 480510017 NWETYFWIJHTXSO-AWEZNQCLSA-N 430.486 0.780 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 480663510 NVIYEUHLRMIRRY-KXBFYZLASA-N 438.575 0.549 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cccc21 488656796 GKCFEGNSQDGMTA-MRXNPFEDSA-N 433.424 0.859 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 488986429 SAJYVBWSQMPHJH-LBPRGKRZSA-N 428.466 0.776 30 20 ICED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)CC2)c1=O 499095019 QQIVHSCFWGZMMR-UHFFFAOYSA-N 445.277 0.702 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCC#N)CCN2CCOCC2)[C@H](C)O)cc1 499836931 JSFWTBQLBMZJMK-HKUYNNGSSA-N 438.550 0.097 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@H]2C(N)=O)CC1 501540093 JOZUNAYMPDRHTK-AWEZNQCLSA-N 430.490 0.358 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 501546795 AHKKBKWTYYGQAF-ZDUSSCGKSA-N 428.536 0.602 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2=O)cc1 502798202 ZDBLYNGFGYFGDM-QZTJIDSGSA-N 432.502 0.317 30 20 ICED Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)N(C)CCC#N)CC3)cccc2c1 506273246 VHTSDCYUDHPGGJ-UHFFFAOYSA-N 437.547 0.940 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 510266621 CDRRZFWSNORWMU-UHFFFAOYSA-N 448.483 0.898 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCc1ccccn1 512743082 USRYRMURSSBRSU-UHFFFAOYSA-N 434.525 0.569 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513013002 VXPQUJDDROWVBT-UHFFFAOYSA-N 448.480 0.609 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 530317833 RDXCNEDYOBCAHS-LBPRGKRZSA-N 433.436 0.172 30 20 ICED C=CCc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533352533 HAWZAPKTCHBDFF-QGZVFWFLSA-N 449.529 0.853 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541145383 YWMVYCKAZODWKF-UHFFFAOYSA-N 427.484 0.965 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541153597 NSHPFDKEZVFJMC-UHFFFAOYSA-N 441.467 0.490 30 20 ICED CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 542309722 DCPKLYVERQYAPA-UHFFFAOYSA-N 445.505 0.376 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)n1 543924136 KJUPYEMHNTZAQP-UHFFFAOYSA-N 439.476 0.683 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 553735633 WMXYQJCRRHCBBU-UHFFFAOYSA-N 441.576 0.604 30 20 ICED N#CCCn1ccc(=NC(=O)C(=O)N=c2ncn(Cc3cccc(Br)c3)[nH]2)[nH]1 559844357 OLTQTGGNIKASRE-UHFFFAOYSA-N 443.265 0.620 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 566877323 HFNHQCRUYYNPGQ-IKGGRYGDSA-N 427.509 0.554 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 579138974 ZZFHHFPCKZDVIY-UNMCSNQZSA-N 440.592 0.613 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscc2C(F)(F)F)c1=O 582697876 RVNFYGQRLAWJOD-UHFFFAOYSA-N 429.445 0.889 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 585689814 CGBQNYRYHRMODU-QGZVFWFLSA-N 444.536 0.545 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCO1 609282845 YIFYBAOUGBADGT-CYBMUJFWSA-N 426.882 0.814 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccccn2)c1=O 609570951 WCIVCNVUDAMOHQ-UHFFFAOYSA-N 447.520 0.559 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 726043706 QFTWQZBLDRACQY-ZDUSSCGKSA-N 442.428 0.660 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 733360493 KDQLZCARLSQPCD-UHFFFAOYSA-N 434.518 0.301 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735473044 LMOFEVSBLMBKSK-NVXWUHKLSA-N 436.534 0.503 30 20 ICED C[C@H](CC(=O)N1CCN(CC[S@@](C)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743498008 KUNIWZSLUCZVBG-LOKFHWFJSA-N 426.564 0.026 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(C)C 743728981 UFKKOKAEFBDITF-UHFFFAOYSA-N 431.562 0.828 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCCCC1 745386473 GYVWLSAXDUCCBW-MRXNPFEDSA-N 440.456 0.803 30 20 ICED C[C@H](CC(=O)OCC(=O)N(CCC#N)CCC#N)/N=C1/NS(=O)(=O)c2ccccc21 745495860 IRHRGBKDAGYJOV-CQSZACIVSA-N 431.474 0.703 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOC 748645132 NVGREJAILRGQEF-UHFFFAOYSA-N 432.527 0.145 30 20 ICED O=C(NCC1CC1)[C@@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 748754602 RTAFJMOBEIGCFS-HNNXBMFYSA-N 436.559 0.933 30 20 ICED Cc1nnc(NN=C2C(=O)N(CC(=O)N(C)C)c3ccc(Br)cc32)nc1O 750921988 MSAODJOBWJXFQJ-UHFFFAOYSA-N 434.254 0.899 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CCS(=O)(=O)CC2)C1=O 755564183 YLHNAJZKWJGXNF-VFOOBRQFSA-N 438.575 0.885 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)cc1 756768189 XJNXZVBIMWKTBZ-INIZCTEOSA-N 432.498 0.893 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 772304110 SCBUOTNNWUWLRM-UHFFFAOYSA-N 427.530 0.803 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 776222168 BQYXXURPLWBVSC-NFDGHXQKSA-N 434.493 0.851 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ncn(C)n1 782138837 VEBKYSINHAXLIE-QRLOFXTQSA-N 433.494 0.444 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 787787739 OHQZSJASWCIXCU-UHFFFAOYSA-N 442.426 0.744 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 789025642 CFJKHDIVZIPXEP-UHFFFAOYSA-N 428.470 0.952 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C(C)C)c1=O 794581488 NMDGPXHUNRTVIE-UHFFFAOYSA-N 429.546 0.895 30 20 ICED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1=O 799141891 FALMMXOTLWVKOP-UZLBHIALSA-N 434.518 0.533 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 808447710 RZPCZTQVFHMQTK-UHFFFAOYSA-N 437.499 0.184 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 811252252 SEFKOLFUQZXTBQ-UHFFFAOYSA-N 444.469 0.447 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 812739831 FOTYMOXQHQCUCN-OAHLLOKOSA-N 436.428 0.044 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916875319 MKOUDXPPMISWJF-OAHLLOKOSA-N 449.533 0.618 30 20 ICED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1116621116 QUQNDBARINJNOI-CQSZACIVSA-N 429.495 0.900 30 20 ICED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1287033394 NUBIMRXGRBHTNI-UZLBHIALSA-N 436.582 0.593 30 20 ICED CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302429007 WHPOHNPOCGPPMD-RDJZCZTQSA-N 444.517 0.604 30 20 ICED CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313495069 WMMYXLQXCWRHRG-INIZCTEOSA-N 437.508 0.349 30 20 ICED COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1315908086 ZKGSXFGMUUEVJU-OXQOHEQNSA-N 431.518 0.839 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1319519130 XZGNTXYHMXMFBF-UHFFFAOYSA-N 435.531 0.714 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CCO1 1475371025 LIWYANLDKHHLNL-SWLSCSKDSA-N 436.303 0.798 30 20 ICED COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504896295 LNMNZLAGFZWTJN-OAHLLOKOSA-N 425.497 0.424 30 20 ICED CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1515992942 NYCXBEIZIUZRIZ-SFHVURJKSA-N 437.504 0.927 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541928051 VHYXLXCKUYSKFV-DOMZBBRYSA-N 448.546 0.298 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1554431673 XWNYMOJWPCXECM-VGSWGCGISA-N 440.504 0.843 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1617386574 MBDPAEZYWWWFKI-UHFFFAOYSA-N 441.521 0.676 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1620169305 MHDRKPNOZCSUSK-UHFFFAOYSA-N 441.521 0.580 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1630789047 QCCPFORHBYSOIC-HNNXBMFYSA-N 430.534 0.924 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1696502846 WGBOCCIIXYXWFP-AWEZNQCLSA-N 431.522 0.423 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1750385425 MVIJGOGBOJMNBV-OAHLLOKOSA-N 432.506 0.943 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751003812 ZFYOIJLTGQSDIH-GOSISDBHSA-N 444.565 0.844 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1766868855 NOCHWGBKHJYKLB-UHFFFAOYSA-N 434.522 0.688 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1767390475 XBVSPEZUYXTQGW-UHFFFAOYSA-N 443.537 0.563 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102353 HAEUJXIUPAQTEA-HMPSOVEVSA-N 434.497 0.273 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1780101979 SVTHTYURGQXTHA-HSZRJFAPSA-N 427.501 0.527 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1781253693 ZQIUIKMVFHXUJO-BFUOFWGJSA-N 449.305 0.899 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781254161 FHPUEHQAEYZTMG-GCKMJXCFSA-N 438.525 0.420 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781853679 OLWCSYHHPDYYSA-LAUBAEHRSA-N 441.525 0.642 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056854 JCUHLAIKOVBERP-UGKGYDQZSA-N 428.489 0.461 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782179664 UPBJZOVYZRMIDW-QKKBWIMNSA-N 441.444 0.953 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCCC3)c(F)c1)CCO2 1783567021 OSRYXGYBORURTI-QFIPXVFZSA-N 429.448 0.957 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1)C(F)(F)F 1784444544 NZBWOYYCVBPJQU-RFGFWPKPSA-N 441.472 0.412 30 20 ICED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]3C2)c(=O)nc1O 1784540601 VKOPCHKFPNMUGM-QBYUYEEZSA-N 438.550 0.191 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1784603520 SPWKHWPWSZTXHM-BFUOFWGJSA-N 429.868 0.903 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)c1 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30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c(O)n1 1830861575 JNFMQEQCVMZSPH-AUSIDOKSSA-N 447.532 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830916206 GLPZVUPFTXSHNT-XXBNENTESA-N 431.533 0.962 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1831215959 DASAXMSBYPCUKL-NRFANRHFSA-N 433.892 0.984 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831424493 KLTVTZGGJXONFD-YCRPNKLZSA-N 429.477 0.619 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1831427432 VUICAKBHLOGLEA-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831435738 XWFDCDQTTGJESI-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1832462472 KRXREAVWVVMMAD-NRFANRHFSA-N 433.530 0.775 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833200920 FYAPZTWQKIXDBK-OPYAIIAOSA-N 435.525 0.777 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4ncncc4c3)CC2)CC1 1835587677 OROMAVOHZWSNQH-UHFFFAOYSA-N 435.484 0.903 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835760804 CJBCXBBJROPKIR-OAQYLSRUSA-N 440.610 0.128 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1835769357 RJCLGJLAJRUVCI-MNOULKQQSA-N 434.497 0.784 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837377128 IGVIVIGABNPCAU-WZONZLPQSA-N 442.516 0.202 30 20 ICED C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1(F)F 1837447502 PRQUXXMDCQZFEO-KMYPOYIRSA-N 428.480 0.960 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524677 FLFNUBXTHWACIN-CPXNXAAISA-N 437.493 0.010 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837524809 OBYNCIANRDGJMP-DWBVNXOXSA-N 447.492 0.005 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837532713 FHGVSINWKGAYRY-ZISMNVMJSA-N 437.493 0.666 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564435 OGGZTCMADOQQFY-XRLXATLGSA-N 427.461 0.567 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625750 JNBMHUPCMJKUKC-OXQOHEQNSA-N 436.534 0.431 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1837727866 QLVXZPMITDAYQH-XMSQKQJNSA-N 439.553 0.586 30 20 ICED CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869268 GYQAKJAILDKVGS-UHFFFAOYSA-N 435.569 0.793 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)CC1 1838070808 FGTGRDHHVBZWOP-NRFANRHFSA-N 439.512 0.788 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1838123969 PCQNQCBSUWLUEO-NRFANRHFSA-N 433.509 0.589 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccn5cn4)C3)C2)c1 1838737081 GZLHMYDSRGJUDM-QFIPXVFZSA-N 434.456 0.918 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907813 OYOZUOLJWOATSV-HSZRJFAPSA-N 436.468 0.641 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839223821 JEIJCXVGOCBSPS-AUUYWEPGSA-N 425.461 0.728 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1839227889 MOWPGVWXTGLAMF-BEFAXECRSA-N 425.482 0.197 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1839874988 OKNXRILGWFOODT-HFXUHXBXSA-N 440.500 0.520 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840408902 CPSBHAWUVGOSPN-HSZRJFAPSA-N 436.468 0.364 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1)C(F)(F)F 1840497426 AHFBZQDARBWPSS-GOSISDBHSA-N 429.395 0.905 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1)C(C)(C)S 1842884737 NUEQPGRZCAYWFR-CYBMUJFWSA-N 442.586 0.275 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842943919 OVGRMOQOWPHZAL-HUUCEWRRSA-N 437.541 0.252 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1847799997 IGCUQECPLQBDNZ-XLAORIBOSA-N 435.521 0.862 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)[C@H](C)C1 409545593 ZIFLOMQTHTTZKR-BRWVUGGUSA-N 448.615 0.445 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 429946929 KMEAPNUETPGZLW-UHFFFAOYSA-N 436.519 0.569 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 431607995 XNNHNMZBOTXEOX-UHFFFAOYSA-N 426.442 0.784 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 442104505 BMTLJKKBOQQRGO-WQVCFCJDSA-N 437.474 0.178 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1C(F)(F)F 443486622 QMDNDLWOMOEQLO-UHFFFAOYSA-N 426.442 0.172 30 20 ICED COc1cc(CN2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)cc(OC)c1 447122204 ODQMSCKHIBYTDP-INIZCTEOSA-N 426.477 1.143 30 20 ICED CN(C)S(=O)(=O)N(C)CCc1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1 460754263 QVVSAWXAOFZXAW-UHFFFAOYSA-N 442.523 0.209 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(OC)c1 467292786 WGBZNEBQLUEIQT-QGZVFWFLSA-N 445.520 0.126 30 20 ICED CN(CC(=O)NCc1ccc(S(C)(=O)=O)s1)S(=O)(=O)c1ccc(C#N)cc1 469965098 HRBWYRYMAYTWRO-UHFFFAOYSA-N 427.529 0.960 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 470200279 LLXOKXKDEQBNBR-CQSZACIVSA-N 429.506 0.453 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(Cn4cccn4)c3)CC2)c1C#N 477566808 GXGUJRNDHJEIRC-UHFFFAOYSA-N 446.515 0.810 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC 480156373 PZRDSNONZBBOMU-UHFFFAOYSA-N 429.498 0.761 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 482450968 MHWJAVVILLHPGM-GXTWGEPZSA-N 437.503 0.420 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498984497 FZKYAVOXHBCTRC-MNEFBYGVSA-N 438.525 0.236 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1 501636506 FOYJLCOVFXNYLJ-SFHVURJKSA-N 425.533 0.824 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC2CCCCC2)c1=O 503981734 KIVMLSWDPCOEOZ-UHFFFAOYSA-N 441.557 0.585 30 20 ICED COC(=O)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 504879131 MICGOPPZPSWHLG-GOEBONIOSA-N 437.474 0.132 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C#N 505767145 CGYIZLDHIZFJFW-UHFFFAOYSA-N 439.910 0.457 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCCN2C(=O)c3ccccc3C2=O)cn1 507825800 AKUAEZRZEUJJAB-UHFFFAOYSA-N 443.423 0.880 30 20 ICED N#C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1Cc1ccccc1 510098970 IYLUMDSJXKIQET-YADHBBJMSA-N 439.560 0.936 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1C 511751361 JOBBZJGVDHSNDV-GOSISDBHSA-N 430.534 0.634 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 516108337 CSAYFPPJEAEGLE-UHFFFAOYSA-N 445.928 0.950 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516358040 WEYVWAWOYXGUMA-HOCLYGCPSA-N 428.536 0.061 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2C)c1=O 523476512 UGJKDAGPHFEJCO-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CC(N)=O)c1=O 533579276 WMKXCWGRMULUOJ-UHFFFAOYSA-N 425.445 0.137 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 534099234 JUPONAHUUUUYPY-UHFFFAOYSA-N 439.520 0.517 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 538273017 CNXAFGYVODTMBF-NHCUHLMSSA-N 443.523 0.858 30 20 ICED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)[nH]1 539352146 GFBLXWKUVJHOHK-UHFFFAOYSA-N 437.460 0.763 30 20 ICED N#Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1OCC(F)(F)F 540282739 CNUZEQYQPMJNMN-UHFFFAOYSA-N 435.428 0.937 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NCC(=O)N3CCOCC3)c(C#N)c2N)cc1 540667447 LAMUCPNINSMRNR-UHFFFAOYSA-N 425.493 0.725 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CCO1 555990924 GRLPLIOTNXYPIM-KRWDZBQOSA-N 449.515 0.538 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1=O 556984205 CNHJSOWJZDMNIS-PXNSSMCTSA-N 428.533 0.769 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 565740642 UCIONQYKUNIXHD-YUELXQCFSA-N 435.502 0.854 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 575373348 NNOLZTPHXHNGGC-TZIWHRDSSA-N 442.541 0.836 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 576573717 PSIXIXOBWDHYSG-UHFFFAOYSA-N 441.453 0.773 30 20 ICED C[C@H]1CN(c2ccc(C#N)c(N3C[C@H](C)S(=O)(=O)[C@H](C)C3)n2)C[C@@H](C)S1(=O)=O 579419862 UAAQYULJJCEHJD-NMWPEEMBSA-N 426.564 0.977 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)CC2)c1 583344261 FDAFYJSGGXRBSW-WOJBJXKFSA-N 440.548 0.486 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 588123711 GXAYOGWSNQDTJU-UHFFFAOYSA-N 447.561 0.241 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC(C#N)C1 590491645 GDDVLFBKLYPSKQ-SFHVURJKSA-N 434.518 0.444 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 602252464 JPTGIZNKZZAFHD-KRWDZBQOSA-N 435.502 0.855 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 603581356 OTHNNUCPLZCHAM-IAGOWNOFSA-N 427.571 0.301 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669813611 QQLGPGQJBOHCLR-INIZCTEOSA-N 434.464 0.580 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccon2)c1=O 670325260 SSOPFVJMXIATRJ-UHFFFAOYSA-N 441.513 0.907 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1=O 726043897 VJYQOQXOIPAVHZ-CYBMUJFWSA-N 445.428 0.025 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 729256546 AZUBTAPIVYYSTD-UHFFFAOYSA-N 429.477 0.329 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1C 743734637 VYXWPPFAFKUWFE-UHFFFAOYSA-N 432.506 0.478 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(N)nc(Nc2ccccc2)n1 744026261 LSACNEBPPNULTI-MNLARUNXSA-N 447.455 0.926 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 749704990 NVIQVWBPCGDBSN-INIZCTEOSA-N 448.495 0.462 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1=O 755463236 YPCOCIGZXNVOGB-CYBMUJFWSA-N 432.452 0.941 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2Br)c1=O 758060530 GREDERDZYUNCMA-UHFFFAOYSA-N 446.326 0.571 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 761038577 WWNXTJOAKMNOKS-UHFFFAOYSA-N 448.467 0.329 30 20 ICED CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 761069414 DYSAUESBDVXPHW-ACIHENLCSA-N 438.506 0.896 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C#Cc2ccc3c(c2)OCO3)c1 762205062 SVMHLMWIQXTEPB-CYBMUJFWSA-N 429.454 0.818 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CC(N)=O)c2=O)c1 763459735 CNYMNUHHHKZYPS-UHFFFAOYSA-N 426.885 0.773 30 20 ICED N#CCCCS(=O)(=O)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776115924 ZCDGQFAREAXBHO-UHFFFAOYSA-N 429.520 0.390 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(CCC#N)CCN2CCOCC2)C1=O 778457342 NHKOBQBLPZOMJU-QFIPXVFZSA-N 442.520 0.423 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)S/C1=N\CCc1ccccn1 783007349 GLVRRCWSBXYBAB-KMOKPBRQSA-N 431.440 0.739 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1 783921633 SYWHTWWYJXRVKT-UHFFFAOYSA-N 425.511 0.501 30 20 ICED Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 787798465 LLOUGGIYYIYNMA-UHFFFAOYSA-N 437.499 0.438 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 796572303 WZFKUUZWEBASHD-KRWDZBQOSA-N 442.582 0.121 30 20 ICED CC1=C(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)Cn2nnnc2N1C 798282206 XMIASGWMKMEHGM-LTGZKZEYSA-N 430.494 0.848 30 20 ICED C[C@@H](CC(=O)Nc1cccc(C(=O)NC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 802329959 TUWLVQNTMUUBRQ-NSHDSACASA-N 429.458 0.951 30 20 ICED CCOC(=O)[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 802712581 PWOHTBLUTFYMSU-AWEZNQCLSA-N 434.474 0.207 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)c3cnnn3C)nnc12 803218520 QTZPWAPWVLFKDS-UHFFFAOYSA-N 439.457 0.877 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c(Cl)c1 804061128 WLAFGZKYWUIGRM-IRXDYDNUSA-N 431.924 0.840 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)o1 820471268 QVVIVFNDGYDRQO-NWDGAFQWSA-N 429.451 0.106 30 20 ICED C[C@@H](OC(=O)CSCC#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 914684819 YJBUUXWNDOZAIE-CYBMUJFWSA-N 427.504 0.834 30 20 ICED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 919549999 XPAVXXZPYWWWMK-MLGOLLRUSA-N 431.474 0.517 30 20 ICED C#CCCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1116110799 JTCDDINHEREZDE-IBGZPJMESA-N 449.573 0.832 30 20 ICED Cc1[nH]c(C#N)cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1293999802 IVZBEXJDONVQIA-UHFFFAOYSA-N 437.522 0.902 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1297787584 MZJOUOGJNYAWSE-KRWDZBQOSA-N 434.522 0.834 30 20 ICED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCN2CCCS2(=O)=O)c(=O)n(-c2ccccc2)n1C 1344560200 ZJWXYNNIROBZPY-INIZCTEOSA-N 445.501 0.557 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1496791105 ZIZHYLBGNGPPOT-UHFFFAOYSA-N 425.559 0.828 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1503415923 QATAWCQEWIZDOW-NVXWUHKLSA-N 449.558 0.875 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1519505711 SMHOHUHXJZJNTK-XJKSGUPXSA-N 445.542 0.589 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1613085337 BIIYBCJBZMSAMO-XOKHGSTOSA-N 430.506 0.214 30 20 ICED N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1653518806 LLSSSGOVFVXCKN-UHFFFAOYSA-N 441.531 0.788 30 20 ICED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695501515 FZHXYYAGSWSGRJ-INIZCTEOSA-N 437.508 0.580 30 20 ICED Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751345792 QAQNLXBBTBROQC-OLZOCXBDSA-N 425.540 0.625 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779019169 DMVGTVPMCBNLHE-VSIOZEBNSA-N 425.493 0.645 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067181 QHSVGUMQIOKHHN-RBBKRZOGSA-N 436.505 0.131 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779070237 XDQVVIXFAOIEQH-WIYYLYMNSA-N 440.493 0.294 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122582 FOGRFIXEDKLDFU-IIBYNOLFSA-N 434.493 0.116 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154438 HBPMSUFFZTUQMB-UZUQRXQVSA-N 446.500 0.870 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172967 MCZYINVXLHWAJO-HJPURHCSSA-N 440.500 0.630 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355862 UBSMCXILSJRQBC-CKFHNAJUSA-N 431.555 0.410 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCN(C(=O)OC(C)(C)C)C3)CCO2 1783051610 FVIHIUNELNGWSK-JOCHJYFZSA-N 443.504 0.711 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1785346959 HBSLAIAOMXDWCU-QFIPXVFZSA-N 449.552 0.673 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1788657774 HUWMNYFCVKLGNO-XLPSAFGNSA-N 432.477 0.910 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCn5ccnn5)C[C@@H]43)c2c1 1790330789 WFNIOMFLNOPDJZ-IEZWGBDMSA-N 448.487 0.710 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791327846 PCLVFNPGJSDFFT-LJQANCHMSA-N 433.549 0.980 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792223155 KLFYLMZZHWARAT-JKQORVJESA-N 437.493 0.056 30 20 ICED 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 1792780324 UTIRPUCRWVUSSB-XFRLJCTCSA-N 435.546 0.074 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1793342994 DWJPODXWBYGMPW-DCXXXQMHSA-N 442.516 0.160 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CSCSC1)C2 1793344341 LOJPIQYDDPNJLK-VIQHNZTISA-N 427.592 0.657 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)C2 1793345308 RMOBDCPHVUYOCC-BKFWEMOKSA-N 441.484 0.648 30 20 ICED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CC2)ncn1 1795077362 GRULESJXUQXRIN-CWPLJXCYSA-N 428.493 0.205 30 20 ICED Cn1ccc(=O)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815552 RUZWJXUHGFFHMN-OZHCATNZSA-N 432.477 0.118 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)n1ccccc1=O 1797933325 CVVVENMAFKANLX-VWNVYAMZSA-N 441.528 0.698 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O 1798779350 ZGTNMIZUOCYURV-WYHFCXFFSA-N 431.449 0.956 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)ON=C(C)C 1800223369 YXEHLCODDNPCCU-SOGIYBJLSA-N 425.482 0.920 30 20 ICED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801029306 SPKZJZNHPOJTGB-PMPAUPDDSA-N 429.539 0.219 30 20 ICED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2)C(=O)C(=O)O 1801327446 QXAQVAURHVSDPW-BCDXTJNWSA-N 426.473 0.672 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801760802 RBMAZOCHXJTAJL-RBPQIDMKSA-N 427.505 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CSCC(=O)O)[C@H]1c1cccnc1 1802496774 CZRNZUYGAVMKIC-ZEUIOTOJSA-N 446.529 0.764 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807197654 TUNSLIZUUOWGRS-KLICCBINSA-N 432.525 0.481 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CC1 1807354817 WLVLZBBUMUNTGD-RHSMWYFYSA-N 432.444 0.436 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNC(=S)NC)n[nH]1 1819405453 WBJYOVWVNCCUHQ-LZNQSLFOSA-N 447.565 0.744 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1826893031 VXHWZJAKOJTWTH-ZWKOTPCHSA-N 434.585 0.481 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCN2C(=O)OCc1ccccc1 1828739554 VLLAPRPYFWFXHG-QHCPKHFHSA-N 435.484 0.968 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830670933 VFIZBFSKMREDSE-QAPCUYQASA-N 437.493 0.537 30 20 ICED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1831229963 NAAAVDRVUIPWAR-RCCFBDPRSA-N 446.573 0.419 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1831393954 SNZLKVCPGNNZEY-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1831401461 CFKUUTBMEHPGBH-YCRNBWNJSA-N 429.517 0.755 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831491417 BPGCCVGASWGGRV-GJYPPUQNSA-N 425.555 0.325 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832370774 MCCKVUPBWKJZSE-OAQYLSRUSA-N 436.509 0.034 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C)n3)CCO2)C1 1832610338 QIKKCVCHASIORD-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833582742 OCGUGRNMEDWTFU-VGSWGCGISA-N 432.521 0.746 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676165 UETLSCORCPGYNT-UHFFFAOYSA-N 449.552 0.093 30 20 ICED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834414087 PWJQCAPAZYQVJZ-QHCPKHFHSA-N 444.532 0.672 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CSCSC1 1835344653 OIJHPHWFJZXGSR-KXBFYZLASA-N 440.591 0.790 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835679829 BDYWYESMCHYVPL-QHCPKHFHSA-N 449.596 0.457 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccnn3)CC2)CC1 1835894407 ZYCFTPISFPKRTF-UHFFFAOYSA-N 427.553 0.944 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836372644 GUBISYIHLWLTKN-FQEVSTJZSA-N 431.625 0.997 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836637879 UJHPYXVEXRHLGC-IERDGZPVSA-N 436.509 0.613 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837244112 ZGBIRSLJZYEQDT-URAOTHONSA-N 433.530 0.787 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837493567 KUHYOAYWAVPGER-GOSISDBHSA-N 434.867 0.973 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837526149 BUEDMKALDVRWGN-XTSMJKTBSA-N 449.460 0.239 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1=O 1837560284 UXLLOJZCPLIMAF-YVABFXQFSA-N 442.472 0.167 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564257 DTCHCMUCLHMAEH-IPIYSKPDSA-N 448.520 0.460 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564491 RPSRNHYTZXUXHV-DPVIJFBZSA-N 439.534 0.314 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc4snnc4c3)CC2)CC1 1838526866 NXBQIKFIFIRKFW-UHFFFAOYSA-N 443.485 0.787 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1838661554 JVIPLLNYSPTYLI-XXVAPRDTSA-N 435.481 0.317 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838857484 NYEAWVQKPVHGHN-LXHZQTKUSA-N 449.454 0.893 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904521 KBBZIGCRTPTPHP-SIKLNZKXSA-N 428.489 0.543 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839223740 HBULHFHMODLTSB-LQBOVUBWSA-N 433.505 0.977 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668493 UYFSMTLXRZWUQO-JOCHJYFZSA-N 446.504 0.786 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1839724396 YPNGOEQQMBFEDW-JOCHJYFZSA-N 430.480 0.527 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)C2)C1 1839809810 MKPYEOKABNGUDF-VGSWGCGISA-N 435.521 0.936 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840166407 GZQDVJVYSCDQNZ-MRXNPFEDSA-N 438.374 0.602 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840492142 FMXAOSRTCIZRLX-SEXXXUADSA-N 446.552 0.681 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)C1 1840568826 PYLWSRHDVSFTHR-JOCHJYFZSA-N 431.920 0.710 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841298480 PDPJLBJEMZCNGS-GJZGRUSLSA-N 425.526 0.649 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1841611799 LFILYICBLCCSFA-GOSISDBHSA-N 428.526 0.477 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009817 MJNGYYHHTXWGOV-UHFFFAOYSA-N 433.428 0.185 30 20 ICED C[C@H](S)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1846372194 OMDFIHJMTMCWSE-AWEZNQCLSA-N 440.566 0.587 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 107677098 OMSNGYCUCYTWPA-UHFFFAOYSA-N 426.472 0.798 30 20 ICED C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 437188002 ZFXRQZFPFJIZQE-MHZLTWQESA-N 425.536 0.739 30 20 ICED COCCN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440629320 XZKVWBRJLLVZBX-UXHICEINSA-N 434.562 0.531 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 446787370 YBEKVXZBDQYISJ-UHFFFAOYSA-N 433.428 1.393 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(C2CCOCC2)n1 446802863 IHECNYMGFCUFMM-HNNXBMFYSA-N 438.492 0.881 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 460616907 YAHMDJAESQWVEG-CQSZACIVSA-N 442.443 1.239 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccnc3-c3cnn(C)c3)CC2)c1C#N 472884245 VIFPGSZDSDLHKI-UHFFFAOYSA-N 433.476 0.683 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(c3cncc4ncnn34)CC2)c1 476683802 GJWOKYVOIWAOKM-SFHVURJKSA-N 430.472 0.836 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1ccccn1 479368066 UMJOCGYPAPBODT-UHFFFAOYSA-N 447.520 0.756 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 480468236 IEXCVDRLDPTBGO-AWEZNQCLSA-N 447.517 0.596 30 20 ICED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1cccc(Br)c1 496223163 BCQWKYBKSZURDC-NSHDSACASA-N 441.263 0.800 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)nc2)CC1 497649604 RYSWHRMCGMYZIY-UHFFFAOYSA-N 427.534 0.611 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1C 511453082 GFHFUWMABNESJU-MRXNPFEDSA-N 431.474 0.229 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)s1 527030563 NANIRVXENLSFOA-LBPRGKRZSA-N 431.539 0.518 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)C1=O 540472847 ODRBRCFUTJQDBM-CYBMUJFWSA-N 437.250 0.411 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 558990717 FDUWNTZCFVBGNS-CQSZACIVSA-N 436.542 0.590 30 20 ICED CN1C(=O)CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccnn1C 560942271 RYSOUYKHJCHGEY-OXQOHEQNSA-N 444.517 0.391 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 561237101 AXIBDPZFTDVDOD-CFZJUORYSA-N 433.490 0.204 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 569521936 QAFXHVIFUHXWKN-UHFFFAOYSA-N 435.509 0.699 30 20 ICED Cc1nsc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c1C#N 572085350 VCBWZTPYPLFJDG-MUIFIZLQSA-N 429.502 0.524 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576392410 JTVLGEZOVFGXIX-YMGMXPECSA-N 435.531 0.385 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 577233892 GOJUDDSPXSEOEK-HNNXBMFYSA-N 430.530 0.661 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)nc1 587648187 SQDFPUHZTJFEGJ-UHFFFAOYSA-N 430.472 0.935 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 588110676 NZRFFCSRYANUCJ-UHFFFAOYSA-N 428.536 0.700 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 589237486 BGDHHXNFYQQPTE-UHFFFAOYSA-N 430.486 0.646 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 608828434 ZHEKKURFVXHBLU-UHFFFAOYSA-N 439.472 0.585 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609128717 BUKRVFHVTINLSR-IBGZPJMESA-N 437.504 0.502 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccn2)c1=O 679753577 WFQGZDADUSJTDM-UHFFFAOYSA-N 446.554 0.116 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)C1=O 726043468 WRKREWNWIUJDHD-GFCCVEGCSA-N 427.413 0.687 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 728571192 DVMJHFLPBHIEPT-UHFFFAOYSA-N 429.590 0.541 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 730105068 AHJIKZUKCAQQCT-INIZCTEOSA-N 437.518 0.614 30 20 ICED COC(=O)[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(C#N)cc1 740178589 MYFSCXXCXQOWNE-WMLDXEAASA-N 433.442 0.481 30 20 ICED C[C@H](CC(=O)NCC1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742603025 BXBWTCRLOUGUBY-CYBMUJFWSA-N 442.563 0.292 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)CC1 742634679 RVBPZJARSGTKCJ-MRXNPFEDSA-N 426.546 0.801 30 20 ICED CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CCOC)c3)c2=O)cc1 743727759 VASZCCVJXMXSPP-UHFFFAOYSA-N 437.525 0.553 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 745387805 ROGMECNTBOESMZ-QGZVFWFLSA-N 434.408 0.970 30 20 ICED N#Cc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 748240729 WCLXPEOVSYSMNT-UHFFFAOYSA-N 427.438 0.718 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 762941757 UOTZUOPSXDSFBI-CYBMUJFWSA-N 444.469 0.700 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3ccccn3)c2=O)cn1 772305168 XXAWIFRNBHXJOQ-UHFFFAOYSA-N 434.525 0.872 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)[C@@H]1CCCO1 775791911 XKXQAIILKGDVBS-UXHICEINSA-N 435.546 0.689 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c(C#N)cn(C)c3=O)cc2F)C[C@@H](C)O1 776283899 ZUAKCLQDHRKGQC-ZIAGYGMSSA-N 429.452 0.488 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1=O 780491803 CUZSXVLVIPDLAP-UHFFFAOYSA-N 435.525 0.880 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCCS(=O)(=O)N(C)C 782557465 FVEZNYFUESKSCM-HXUWFJFHSA-N 435.502 0.976 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 782949204 RBXHJZRRWFPGGI-AWEZNQCLSA-N 448.339 0.748 30 20 ICED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 785210189 HDGJJZAKEDQMFN-RBUKOAKNSA-N 431.452 0.450 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 796569813 YDBXVBAXIYGNSH-UHFFFAOYSA-N 432.502 0.862 30 20 ICED C#CCC[C@@H](O)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 799074205 CKRNXNIXTXTSTN-OAHLLOKOSA-N 435.502 0.660 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 805844240 CDCMQMINEDQVLD-UHFFFAOYSA-N 433.511 0.907 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n1 806845802 RZKGXVAUXMXVBG-KRWDZBQOSA-N 427.509 0.010 30 20 ICED Cn1ccnc1[C@@](O)(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 810191632 FFOCOKNEKJFLMV-INIZCTEOSA-N 445.423 0.526 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3ccccc3)CC2)c1=O 913064150 DRXXIMXDTUVBHZ-UHFFFAOYSA-N 425.489 0.349 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3ccc(C(F)(F)F)n3)CC2)o1 915379207 YXSKXWACTLWBHY-UHFFFAOYSA-N 426.355 0.962 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)ccc2c1=O 917201837 SGTCBOCBQYYWBT-UHFFFAOYSA-N 441.513 0.434 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 918608602 LMVLEBUAMBVHQF-SILNSSARSA-N 443.551 0.353 30 20 ICED Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)CC4(CC#N)CC4)CC3)C2=O)n(C)n1 1189115753 FGPHBPKTFPSABI-QGZVFWFLSA-N 434.566 0.865 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1288276324 IMYANGLGXABVRC-QGZVFWFLSA-N 427.506 0.170 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCS(=O)(=O)CC1 1317937661 BWNNTKUVYLGUOW-UHFFFAOYSA-N 427.548 0.979 30 20 ICED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)[C@@H]1CCS(=O)(=O)C1 1318721729 YOUJZWMSOXJVBH-CYBMUJFWSA-N 443.478 0.998 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1360240908 UOJAOMWEONCPCI-KRWDZBQOSA-N 449.581 0.418 30 20 ICED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1512546324 OBYBOSLVQNHVPD-YWZLYKJASA-N 447.517 0.503 30 20 ICED COCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1518974484 ZBAOQGHSJLIEOH-MPGHIAIKSA-N 444.558 0.137 30 20 ICED Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1542050151 KQXLOXLFWAXYLK-WCQYABFASA-N 425.540 0.739 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618941452 PHKXRCARPYAUBL-ZNMIVQPWSA-N 425.497 0.641 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710449737 VNTJZSMGHRWFLK-JOCHJYFZSA-N 445.568 0.834 30 20 ICED COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711976180 UBLBURWQSCADJP-UXHICEINSA-N 449.508 0.869 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1=O 1712478843 IQKDPPCWPJOCPN-SFHVURJKSA-N 426.477 0.527 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746432072 KQJJKFHBCNJSJU-LAUBAEHRSA-N 432.548 0.982 30 20 ICED CNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1767642079 JBZVUMYELIUTKH-IRXDYDNUSA-N 444.517 0.317 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1767798866 UMSVOQQTQIEWKF-UHFFFAOYSA-N 433.476 0.540 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767847354 JXEALVCBCYGLAW-SFHVURJKSA-N 440.533 0.543 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779019164 DMVGTVPMCBNLHE-KURUZVKSSA-N 425.493 0.645 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780195067 MLVWUCLBKWAKHY-SZNDQCEHSA-N 447.444 0.791 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1783536928 KCPRDJJNDWRIQF-YDSTWLSQSA-N 447.532 0.864 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783771046 LTPGGOFZRUPBDC-QVKFZJNVSA-N 435.477 0.374 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783904308 WZWHACPJXKYGSU-VGOFRKELSA-N 436.553 0.862 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCC)[C@H]2C1 1786503913 IZRIRSWJGYOWKN-FJIDUMEYSA-N 437.537 0.919 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787265863 BUJMBBBVBKOWQT-ZOBUZTSGSA-N 441.492 0.174 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)n1ccnn1 1790640431 LCRJPWFCSPHKPQ-VJANTYMQSA-N 429.521 0.517 30 20 ICED 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)C1 1791076919 PXGLJVISGPSXIM-QAETUUGQSA-N 449.504 0.311 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286671 GCVAEBBDCCZPDO-YPTDYUDTSA-N 427.498 0.383 30 20 ICED C=CC[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 1792889034 LBHAFMZJJRFINB-NQNKBUKLSA-N 425.526 0.674 30 20 ICED 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)C1 1793155831 JMDWBQCTAFEZLH-DBDOFBCQSA-N 449.504 0.357 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)cc1 1794090141 IABJLOGQOBSLAB-ACDBMABISA-N 444.557 0.735 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccn2)nc1 1794257423 PERDAMDPILOBQZ-BOLBYERCSA-N 435.484 0.780 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797711546 YBLGRQJUNZEOGC-OCVGTWLNSA-N 429.477 0.211 30 20 ICED COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cc([N+](=O)[O-])c1OC 1801990280 QKXRUWUTBDCEOI-BTTYYORXSA-N 431.401 0.952 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1801992378 IQDWENGFEGUJKN-SRYPRDQNSA-N 449.511 0.492 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802107709 RWYSNGQHUIAFFS-JFILPPLUSA-N 442.563 0.237 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802926070 OGOHMMSUWMGJGB-YESZJQIVSA-N 446.504 0.315 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807041708 DFPAUOFPWKNLQL-LQWHRVPQSA-N 431.537 0.663 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354597 JQNKRFOSSPWJCR-OGWOLHLISA-N 449.471 0.171 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810357351 JAFCVMQTXRUDMM-MUXPZRJTSA-N 443.504 0.753 30 20 ICED Cc1c(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1812877642 NMAWNEYEXHTXDX-MGPUTAFESA-N 448.439 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1814438939 VYROFORDDKGLOR-ZEVQVBBLSA-N 443.552 0.508 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1823743903 JGFYBLYXEUAMPQ-ICUWKNINSA-N 433.553 0.057 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC)C(=O)O)CC1 1823744156 OGBWECKGFOQREX-BTFXCVNISA-N 434.537 0.527 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCN(C)CC2)CC1 1823746435 CEMRWNCKLFVIGU-GIWCCYDRSA-N 445.608 0.712 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CNCP(=O)(O)O)CC2)c1 1826805631 JMGLQNZUKKOSCI-KRWDZBQOSA-N 437.437 0.844 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485548 LHRMHNGMYHBXHP-QRWLVFNGSA-N 437.449 0.831 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1830410426 PPXKSTPDLYKFAC-DOTOQJQBSA-N 435.525 0.959 30 20 ICED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676315 PWQQJEVFVNPISP-XYXUZSOXSA-N 426.473 0.229 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831151071 VXJLXAHOLSWXSN-HRAATJIYSA-N 435.546 0.533 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1831386366 GFZDETQLOOYMAF-AUSIDOKSSA-N 429.517 0.817 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832043851 DPXXRWTXFHDPFS-MBSDFSHPSA-N 447.532 0.866 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)C1 1832493095 STXIFEJRHSFZQZ-GCJKJVERSA-N 429.473 0.833 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccnc(C)c3)CCO2)C1 1832619919 XIQQKIBFTUGKPP-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)CC1 1833467789 AFPURSPRQCYGJR-QZTJIDSGSA-N 430.553 0.524 30 20 ICED Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833908661 PCDYHUQZWFRWHP-RETMYHCQSA-N 434.493 0.624 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097093 SCSQBOMALDKFHN-YSESTWPTSA-N 426.469 0.614 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1835101830 IXTQZLBYVGRZNM-RXVLNYDTSA-N 432.480 0.998 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnnc4ccccc34)CC2)CC1 1835324555 SWZDMGDUPWGKRE-UHFFFAOYSA-N 435.484 0.903 30 20 ICED N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750113 FXJCBUDVJXUBKY-UHFFFAOYSA-N 449.621 0.883 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836986393 UFWPJCFBGWFLEH-JPYJTQIMSA-N 442.516 0.977 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193490 NYIRLVFQFPMHQT-FXAWDEMLSA-N 433.534 0.982 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)C 1837222891 RTWHHMIILOJMBH-ZVIHDUAOSA-N 449.504 0.743 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837440193 DTNMDWKUFIWZEC-ZZAWEDPDSA-N 446.552 0.199 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440648 RCWINHHJLCIALE-MHRHTVJOSA-N 432.525 0.270 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CC1 1837637416 MBOYMQLXABZINI-SIAOZKNOSA-N 442.472 0.212 30 20 ICED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)ccc1F 1838647677 RRKDXLARBWJLRG-UHFFFAOYSA-N 445.495 0.907 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4ncccn4)C3)C2)c1 1838736086 ISFSLMYHJHVUGA-FQEVSTJZSA-N 442.501 0.539 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1 1838829830 UBPBKVYFFJWFMG-XLIONFOSSA-N 438.550 0.900 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1838950814 GNZPSELLMOBZDD-JOCHJYFZSA-N 447.455 0.380 30 20 ICED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)COC1 1839777422 PJMDQZOOWHUWFL-UWDDZFTESA-N 439.509 0.398 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839888360 IONOZYOKSZIGJT-SFHVURJKSA-N 440.403 0.456 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1)C(F)(F)F 1839892443 MZKUMBDOGNIFDG-LJQANCHMSA-N 448.486 0.199 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1840028980 OSBLZMABFZEQCN-WHSLLNHNSA-N 441.525 0.293 30 20 ICED Cc1oc2cc(O)ccc2c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042910 VLSVAZORRXDENZ-QFIPXVFZSA-N 442.424 0.605 30 20 ICED C[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Oc1ccccc1 1840044324 CYCSDUARQIDQMP-HTAPYJJXSA-N 430.457 0.388 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840161567 TZTZLQMPWHJKBQ-VBKZILBWSA-N 443.566 0.628 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840165932 OFDLYQTXTIMPRX-QVKFZJNVSA-N 435.546 0.777 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)c1ccc(O)cc1 1840221752 IVXZRSWNYQKEDR-MFSJNOQSSA-N 443.544 0.940 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378790 GPURRVYLOGJAIY-PBHICJAKSA-N 429.568 0.308 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840410756 RHBFXRQYKKNMEJ-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)c1ccccn1 1840501483 IYYIWQHZWUNBAO-FDDCHVKYSA-N 443.548 0.923 30 20 ICED O=C(CNC(=O)C(F)(F)F)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1846398514 PVUBLOWSTSFRNI-UHFFFAOYSA-N 437.268 0.224 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2sc(C)cn2c1=O 1847262464 YWYOCHKNMATNGG-UDLYIEAKSA-N 441.513 0.738 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 24265275 TYPVYQXQWUYEOB-ZDUSSCGKSA-N 425.467 0.301 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 116432741 CQGPLWFJYFAAHC-UHFFFAOYSA-N 430.442 0.999 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 437024974 WXANQVUJKQSMSQ-OLMMMNRUSA-N 433.509 0.555 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 437398267 RVUPVAPBVKURQH-INIZCTEOSA-N 435.550 0.959 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@@H]1CCOC1 441932325 YXKNAZVAQKJEGX-KRWDZBQOSA-N 441.553 0.829 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccncc3OCC(F)F)n2)cc1 443351759 OHNZDVBIEJQIHW-UHFFFAOYSA-N 441.398 1.492 30 20 ICED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 460792355 ITFAEAIQCGOYOC-QGZVFWFLSA-N 434.522 0.848 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 464140578 VANKORLCEOKWBP-MRXNPFEDSA-N 430.490 0.142 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 470991654 DZHNZUORRUGPGS-CJNGLKHVSA-N 444.923 0.773 30 20 ICED COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1C#N)NC(=O)c1cnn(C)c1C#N 475910653 QXBQERDUVQLLAE-MRXNPFEDSA-N 432.444 0.807 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478760863 AWKPLYJIVMAHTL-UHFFFAOYSA-N 429.546 0.705 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 483561961 MRCAFFGLPXNNHM-MRXNPFEDSA-N 449.533 0.381 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 484587395 DJSILRIVIONWRP-UHFFFAOYSA-N 425.457 0.943 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 484861348 ZBPUCQSWGPTASJ-OAHLLOKOSA-N 436.534 0.949 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CC1 488115066 FYNXTPSHVURUEL-UHFFFAOYSA-N 447.513 0.144 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 494028564 RQFWELVEVRPNQI-ZDUSSCGKSA-N 448.423 0.978 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)c1=O 502045602 QHJSBGFXOQZHHW-KRWDZBQOSA-N 435.509 0.431 30 20 ICED Cn1c(=O)c2cc(NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cnc2n(C)c1=O 508366998 HFFWEDAHIKVPJU-UHFFFAOYSA-N 437.435 0.997 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 509444443 PWTVERRRYJIERI-CYBMUJFWSA-N 431.496 0.380 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 515929925 PGYDSGALWWEEKF-OAHLLOKOSA-N 440.547 0.157 30 20 ICED C=CCN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 533391015 UMOYNYJDHDJMQO-LLVKDONJSA-N 437.337 0.912 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 548697656 WNSIKPWGUCJHLZ-UHFFFAOYSA-N 428.474 0.754 30 20 ICED CC(=O)N1CCc2ccc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc2CC1 551020624 NYIZFGHFRSXGFH-UHFFFAOYSA-N 444.517 0.866 30 20 ICED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 551523014 HPGWOKQKTBBQKS-UHFFFAOYSA-N 441.513 0.463 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 554360834 MVBVAQNWPPEAFM-HSALFYBXSA-N 425.533 0.986 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2=O)cc1 558054021 SCYOZOKSUDAMGO-FQEVSTJZSA-N 439.516 0.493 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1=O 576250752 DLNTYKGYEPNMEM-GFCCVEGCSA-N 428.214 0.715 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)c1C#N 584750919 RAXYXBPCPMDDML-UHFFFAOYSA-N 434.503 0.409 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cn2)CC1 589976382 HSRXKFWXUGUAMN-UHFFFAOYSA-N 439.494 0.975 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CC1 615380228 HXVQQSWQMZLCME-KRWDZBQOSA-N 440.548 0.986 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 728534196 XUNHDBKNCVUCRJ-UHFFFAOYSA-N 436.509 0.117 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1ccc(C#N)cc1 731811327 OYXGXZQAJZAFCR-UHFFFAOYSA-N 438.425 0.864 30 20 ICED C#CCN1CCC(C(=O)NCC2(NC(=O)C3CCN(CC#C)CC3)CCOCC2)CC1 733893318 LEEVHIICHILKLN-UHFFFAOYSA-N 428.577 0.458 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734567514 INRDTMLOCWRLGA-SFHVURJKSA-N 430.442 0.565 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 741157490 UXLKEEUHNCYALK-UHFFFAOYSA-N 425.282 0.540 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 743727982 YYFUKHBVVKBWQH-UHFFFAOYSA-N 435.465 0.540 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(C(N)=O)CC2)cc1 749705315 VBORQCDUHVEHCE-ULJHMMPZSA-N 449.533 0.598 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cccnc23)c1=O 758058532 MHZGOKKVHBUTLS-UHFFFAOYSA-N 430.489 0.453 30 20 ICED C#CCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 766398610 SRHNGEXUPNHDDC-UHFFFAOYSA-N 426.466 0.632 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)c(C)o1 767959060 OGIAKVZVERDVLY-UHFFFAOYSA-N 447.538 0.215 30 20 ICED COC(=O)C[C@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 770163254 GRPZCDIEYDGWMC-IIBYNOLFSA-N 428.445 0.992 30 20 ICED C[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 771890384 PWBSUHHXPLMGGS-SNVBAGLBSA-N 429.296 0.914 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)n1 789788958 XKJKKVLYKOWLJE-UHFFFAOYSA-N 425.424 0.850 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2O)cc1 792413192 QALZYVJSYRNNOW-QJOMJCCJSA-N 431.474 0.855 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 806708666 PTEOMWRNLVIVOA-IBGZPJMESA-N 429.473 0.966 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808035852 ADCXHZFVEDWUQL-UONOGXRCSA-N 433.513 0.628 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nn1 920640563 GYMXAMMNEIXILB-UHFFFAOYSA-N 437.378 0.710 30 20 ICED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 921073913 WNNOIBQXOTZEDX-BETUJISGSA-N 425.349 0.576 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1117105458 MVSMZKOZBHSJJB-UHFFFAOYSA-N 447.517 0.637 30 20 ICED N#Cc1ccncc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1141241254 AXOFOFMUNCHZLT-UHFFFAOYSA-N 442.501 0.332 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)c1C#N 1154387073 PRVQHRYSUOKKMX-SFHVURJKSA-N 428.468 0.108 30 20 ICED CN(CCNS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1251836631 CCLDAAALJGVMFQ-CYVLTUHYSA-N 431.540 0.512 30 20 ICED CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1316362561 KQUKNLYHBZQSIY-UHFFFAOYSA-N 429.550 0.899 30 20 ICED CC(C)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 1318049834 UEYQQXUZXMPMRL-GJYPPUQNSA-N 447.513 0.782 30 20 ICED CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1502235668 UQQREKDIXJUICA-CVEARBPZSA-N 432.506 0.139 30 20 ICED C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C 1510067246 XCINGQDKABEIKJ-GOEBONIOSA-N 425.559 0.301 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1516825364 JXRMNSQLFUYVDM-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1517620398 PIZFBONRONMBLJ-CQSZACIVSA-N 442.448 0.824 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1541935496 OTRNVPUSKVVQGU-MEDUHNTESA-N 433.485 0.400 30 20 ICED CNC(=O)c1cc(O[C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)ccn1 1643648437 ZZSOGPXORQTUQY-CTNGQTDRSA-N 442.564 0.977 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1654850387 AYGQCODESWPOIJ-NRFANRHFSA-N 432.546 0.359 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CCO1 1698494136 SEHNZYWTYQOVPZ-KGLIPLIRSA-N 436.469 0.522 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1705971668 ZUYNDASGMOLQOW-YOEHRIQHSA-N 437.570 0.887 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1768293002 QQIRKFNQBZCDFP-AWEZNQCLSA-N 431.522 0.423 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1778971669 NJOKHKJWFIXFTP-PWISXXLXSA-N 445.516 0.855 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065604 YSLGNWMZLUEENI-FDDCHVKYSA-N 441.532 0.806 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779103160 NIHBBZCSHHMQPK-ZCTOSJTPSA-N 436.425 0.290 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1779271947 IQYMHNVPEDESPZ-DVECYGJZSA-N 441.528 0.938 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780009481 YTRAUTIXISMCOO-XXGSHBOYSA-N 435.484 0.932 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CC1 1780200671 FHOMKYLVNZBONX-NRFANRHFSA-N 438.444 0.426 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2)C(F)(F)F 1781802552 KEYGAGXWMDAKOT-SJKOYZFVSA-N 432.399 0.171 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1cnnn1 1782598175 UISVFINYOQEKAS-JXXFODFXSA-N 432.529 0.030 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)ccc1F 1782959841 LQTDUJNEXCQTHO-RXVVDRJESA-N 449.504 0.647 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3S)[C@H]2C1 1783543601 CPSPLELMMAFPEY-QTIVQTDVSA-N 430.530 0.822 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Br)c(O)c1)CCO2 1783563366 PPPIUOSDBXPOTB-GOSISDBHSA-N 437.246 0.686 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363534 UARLMIQPZKZAJV-NRFANRHFSA-N 446.529 0.764 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C[C@@H]21 1786857825 FXONPZRNVQBNKE-TUFLPTIASA-N 441.576 0.990 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1)C(F)(F)F 1787500281 GLIKYWWNZMZKTI-ZLZRZKQWSA-N 448.467 0.887 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788656637 RKMAGYBYTTUZKT-SJSMJELUSA-N 449.508 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)cc3O)[C@H]2C1 1789478952 FFHVPSXKLZUECT-WZKGKYDRSA-N 443.500 0.853 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1791261033 JQWOJNAGYPFODW-KNPMLCFXSA-N 427.548 0.397 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1)C(F)(F)F 1792132631 DQZILYBNSQVBIG-IHRRRGAJSA-N 444.410 0.356 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1792184752 GXXUZGOERXVNFM-PGCGBOAUSA-N 432.521 0.983 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)C2 1792484773 PHYGANNEQWTGPB-UKFIRTNOSA-N 433.505 0.024 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793281297 SZFQUECYRAOVKQ-KRXQYRFLSA-N 438.525 0.182 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1793343209 OHZMRUAIGYOFFS-NTNQKNOYSA-N 426.473 0.297 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](S)C(C)C)n1 1793384300 WBFYTKROOUWERX-MVJTYMMSSA-N 436.578 0.831 30 20 ICED C=CC[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 1793593036 YHFJESFMFNOFSW-FZKCQIBNSA-N 441.525 0.664 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C3)c(O)n1 1794827732 MKVPZXUUKDATRI-MUJYYYPQSA-N 444.488 0.701 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1795277607 MECTYDBBJNQHCH-FEJSZKPUSA-N 443.463 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796873185 BIMDDURUPHWVQJ-BDNPTBKVSA-N 433.534 0.285 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1797711003 QBAIFQOJERBKFS-YGTYGHESSA-N 434.493 0.474 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)c1Cl 1798590054 CPWBPEQJRZJRQX-ZDUSMZPESA-N 448.907 0.065 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680575 OWWSTYJZTIMHIO-KSXIZUIISA-N 427.498 0.010 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)C2 1800773455 DXUKLSBSZMZRBL-GJPOJAMWSA-N 439.512 0.576 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079459 SCJRXZWTGLXWIQ-UWJYYQICSA-N 432.484 0.755 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811795993 KCSQDDKYQUNWFO-QUCCMNQESA-N 449.467 0.816 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812391304 TXMFKNVNOWUHDQ-SOLBZPMBSA-N 446.504 0.204 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@@H]1c1cccnc1 1812531027 VGNSBWGMVZFFOZ-HLNWXESRSA-N 442.516 0.948 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813177900 UDMWQUHJIZRPPD-LDBYXDLTSA-N 441.488 0.813 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813470319 DOHXOOHARHTYRH-RANZSIQMSA-N 427.509 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1814437279 PZTIMCNCMIJCKT-AFNCTOJWSA-N 441.448 0.775 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815769983 DJDCGZVOJSWXBN-XBFCOCLRSA-N 433.469 0.801 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819950013 ZFRQDHMHQYTXLF-ZQOVVOTESA-N 444.473 0.365 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#Cc1ccccc1)CC2)C(=O)C(=O)O 1824670223 SLUOKJCXBDKNIT-AWEZNQCLSA-N 440.481 0.650 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3cncn3)sc2C1 1826778343 GUSOYCOAIQQNQK-JSIVBPPZSA-N 429.506 0.766 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829519556 LRDXFHACRCCMSA-MGPUTAFESA-N 438.912 0.773 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829621830 VFNBUEDTEFTDFU-MRXNPFEDSA-N 437.456 0.411 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831201503 NZAXQLFANPPMFQ-NRFANRHFSA-N 431.493 0.263 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832514338 MSBJDSBZLBYZLT-MOPJOFRLSA-N 449.548 0.100 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833199567 UIBCBLUWVCJWPV-NPPFBWRTSA-N 434.537 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1833467790 AFPURSPRQCYGJR-ROUUACIJSA-N 430.553 0.524 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1)C(=O)O 1833490040 CQAAYSASKKFUPL-FUHWJXTLSA-N 428.599 0.575 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605216 ILTJLWWHNQGORO-QHCPKHFHSA-N 444.484 0.408 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715525 NMJJNJKVFSGZMM-UHFFFAOYSA-N 448.612 0.755 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354856 HDCMQLLIJPMLLU-NFBKMPQASA-N 426.517 0.803 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1835431874 YPATUJKPUXBDHH-NRFANRHFSA-N 437.613 0.582 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873124 WLXVAOSWBNRWPT-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837093820 DOWQYURBYDIWJZ-GCJKJVERSA-N 432.521 0.472 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837493812 YFCULKDDXUTMDN-JOCHJYFZSA-N 433.480 0.922 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524332 FYCBTSDZKQQSFW-VKIKPQBMSA-N 436.465 0.582 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837562196 HQUDXDQOAGUTTK-HPARJBSBSA-N 442.472 0.017 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C(F)(F)F 1837678932 CLKVVMIPJKGZHQ-RDTXWAMCSA-N 435.443 0.866 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1838581615 CWFCSQBWUDAYEM-HXUWFJFHSA-N 447.517 0.264 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)CC1 1838774175 LMUTXZGVFIDGSM-OAHLLOKOSA-N 428.489 0.601 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)c3)C2)C1 1839175019 JLMLNERJZXZXEW-QFIPXVFZSA-N 431.489 0.969 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839176175 AFKGMBSTBGQPMX-JBYIUTFZSA-N 438.521 0.503 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839228646 KVYSYFMLEDHHSK-AVRDEDQJSA-N 449.552 0.837 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-c3cnco3)c1)CCO2 1839365905 MEEOHVIHARNFNY-QFIPXVFZSA-N 439.424 0.500 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839890154 KOJHPYXFTWOCRK-PBHICJAKSA-N 436.477 0.231 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840163178 FDSYDIQHEPFJDK-XIKOKIGWSA-N 425.463 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1841053838 FZHFIQYCSSIIKX-KTKRTIGZSA-N 445.541 0.831 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)CC2)CC1 1846195955 VHWNFHJDRWTSSL-UHFFFAOYSA-N 444.532 0.001 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 57948765 OWLZFOQRBSMSQA-NRFANRHFSA-N 432.546 0.865 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)C1=O 440261040 WUCGCHXRBISCKW-SFHVURJKSA-N 444.488 0.494 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443326205 ASSSOVPQRMKSAU-VHSXEESVSA-N 444.366 0.968 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 444404661 NHPLDYCRPCQQKC-HNNXBMFYSA-N 444.579 0.931 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 446525338 XMYXUNHGZAPTEX-GJZGRUSLSA-N 437.522 0.643 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476451940 MGSGDSMDFKKJRH-LJQANCHMSA-N 425.489 0.246 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccon1 480927257 BPLYSOMRNSECKA-HNNXBMFYSA-N 426.454 0.337 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 506906739 CPVSOVZASMCQFD-STQMWFEESA-N 442.519 0.532 30 20 ICED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508105438 UBLDMMBWDMLBQI-UHFFFAOYSA-N 425.493 0.247 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 511916332 MGYTWMVIKWDVSJ-UHFFFAOYSA-N 437.298 0.355 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ccc3occc3c2=O)CC1 518869896 TVIGSEAUEHGNLD-UHFFFAOYSA-N 426.454 0.999 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc2)c1N 520372607 YHXWSKYMLBDOGF-KRWDZBQOSA-N 432.506 0.544 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 530318069 FYLHFCIFKUWYOM-LLVKDONJSA-N 449.891 0.686 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccnc3)c2=O)n1 532165465 PPDMUKPSPXIMCD-UHFFFAOYSA-N 435.509 0.590 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)n1 536949218 SQPFHWGEPKYODW-UHFFFAOYSA-N 439.524 0.783 30 20 ICED Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 537297867 FFKCJQQTEKHORF-UHFFFAOYSA-N 438.487 0.254 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)n1 543930356 JLZQPEJOWINZGO-UHFFFAOYSA-N 428.836 0.991 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nc1 550829796 LNRMFPKMBHMMBK-UHFFFAOYSA-N 425.829 0.779 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 555289765 AZOCWFDKRQVNGM-ZIAGYGMSSA-N 434.588 0.230 30 20 ICED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 562165890 GQSXVBSCIWXRQS-AWEZNQCLSA-N 440.489 0.012 30 20 ICED CN(C)CCOc1cnccc1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 567526678 UGSWGDVKZCPRIK-UHFFFAOYSA-N 434.460 0.729 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3n[nH]c(C4CC4)c3C#N)c2)CC1 568922353 KDSHGNUHZRIJRQ-UHFFFAOYSA-N 442.501 1.264 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 569128772 LVQRYAOTTBJBBI-INIZCTEOSA-N 428.532 0.759 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1 573127868 XYJLAQJTRUADGY-UHFFFAOYSA-N 442.495 0.117 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)c(F)c1 581272472 RTOWKSBUIPGSDP-UHFFFAOYSA-N 437.479 0.921 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 582090182 NXGRSPCXAOXYFR-HNNXBMFYSA-N 425.507 0.862 30 20 ICED CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 586813429 VLUYPYGVIDGDOP-UHFFFAOYSA-N 436.516 0.859 30 20 ICED CN(C)c1nc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 588322777 MZXQGUNPFPTGHM-INIZCTEOSA-N 426.502 0.614 30 20 ICED Cc1nc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)sc1SCC(N)=O 589300855 ORKVZPLRECUJIS-UHFFFAOYSA-N 425.517 0.818 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604120475 RLUQPXYUSSNCDB-UHFFFAOYSA-N 431.539 0.676 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 604270049 NVLAIEBLRGKIDW-UHFFFAOYSA-N 430.505 0.556 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)cc(F)c2)c1=O 611114819 IGTVPNGOJIDUAK-UHFFFAOYSA-N 432.452 0.058 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 726043704 QFTWQZBLDRACQY-CYBMUJFWSA-N 442.428 0.660 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726114114 JYEOTXNNHBWZTH-GALDBLJUSA-N 441.579 0.390 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2ccc(OC)cc2)CC1 728608535 GERWOKABBQPEQT-UHFFFAOYSA-N 428.518 0.136 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144259 IVNNFVJGOQHCQZ-HOCLYGCPSA-N 434.566 0.794 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2ccc(OCC#N)cc2)c(=O)n(C)c1=O 732365566 SRNFONJNGXBWJU-UHFFFAOYSA-N 428.445 0.656 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 735837278 QZPUXIPWLWPPSW-SSMANRBRSA-N 431.537 0.552 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 747820060 IKNLICYVZMKNKS-UHFFFAOYSA-N 446.573 0.678 30 20 ICED C=CCn1c(S)nnc1-c1sc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)nc1C 748547434 FJELBNDOALGURW-UHFFFAOYSA-N 440.536 0.667 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1OCC(=O)N1CCOCC1 748950421 IQFJHUDDVYBFHB-VXPUYCOJSA-N 443.460 0.572 30 20 ICED C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C#N)c1 753660285 ZVJBNASMZWLYGF-DOMZBBRYSA-N 432.458 0.594 30 20 ICED COc1ccc(OC)c([C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763365368 PZJZLXJEZWEQJQ-KRWDZBQOSA-N 436.428 0.944 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 763845494 KQAKGNLTQGKPHQ-OAHLLOKOSA-N 436.490 0.485 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 773801131 XBEIWTNVSASROO-CVEARBPZSA-N 439.465 0.082 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 781050587 XVDBQKIWUZDYBE-FUHWJXTLSA-N 425.470 0.900 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2)c1C#N 788115591 WBESRFGYTOWMOK-JOCHJYFZSA-N 435.488 0.716 30 20 ICED CCN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 792474476 FGIDWGBNYYWURR-OQKWZONESA-N 449.533 0.866 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)c1 799845800 ANNDQNFMYYKTAV-USPYDQLOSA-N 440.547 0.465 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)nn1 800019378 GWBNNALLERTKTM-UHFFFAOYSA-N 440.441 0.731 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 804053224 IRDKWTZRGRDBTF-LEWJYISDSA-N 425.533 0.572 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 806088148 NBFWTPIJPDHGEL-UXHICEINSA-N 431.537 0.251 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 807110899 ZSTGEHBGRHLFIJ-LSDHHAIUSA-N 429.543 0.716 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 811043146 WYFOJKZBBCVIHQ-CHWSQXEVSA-N 427.483 0.445 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812280612 GYYLNWXEEYRABD-QFIPXVFZSA-N 447.536 0.727 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)c1 814337294 CVUFSZCXTAZNTM-UHFFFAOYSA-N 428.470 0.456 30 20 ICED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 814547417 ZISCILXJDICEPE-OAHLLOKOSA-N 429.395 0.878 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 849059030 CYLSZKSSLXIVJH-IBGZPJMESA-N 433.553 0.358 30 20 ICED C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)N(CCC#N)c1ccc(F)cc1 914899058 INIWNWHNMAXZCV-ZDUSSCGKSA-N 426.470 0.920 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC 917768451 GWYYYBCXJGRJKG-UHFFFAOYSA-N 429.498 0.704 30 20 ICED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)nc1 917879505 DESJHIUBYYKNIL-AWEZNQCLSA-N 429.458 0.781 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 920788080 QEYRISHZQRTTIR-INIZCTEOSA-N 438.440 0.968 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1296606237 NMTOISAOOMBQLZ-ZTFGCOKTSA-N 427.502 0.807 30 20 ICED CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1COCC12OCCO2 1299215640 IQODRKHPVFNQAQ-MRXNPFEDSA-N 437.518 0.647 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCOCC2)C1 1302478570 JTZOEVKJJXUCKM-YJBOKZPZSA-N 442.517 0.480 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1314143555 VSRCLLDEIWJXPL-NQIIRXRSSA-N 432.525 0.917 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1339623392 KVYWSXVOHJWKQA-HNNXBMFYSA-N 441.553 0.699 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1359467109 MPUBAUCKPPSBQR-PMPSAXMXSA-N 427.575 0.452 30 20 ICED CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1359467804 ZCIKKWDUNVZTSZ-IXDOHACOSA-N 441.602 0.841 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1503246949 XDGBNGOCBNGVIV-HXUWFJFHSA-N 432.550 0.754 30 20 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431.456 0.948 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c(Cl)c1 1781967632 PKBFHNHKODVRTC-OAQYLSRUSA-N 432.908 0.987 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1788660331 JIOPEJJXYPLZJF-VZHLXOKHSA-N 433.465 0.305 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807152 TWMSIWCDRYNFJT-MUGJNUQGSA-N 449.596 0.547 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1792488434 AUUXNUJOFUQZDD-YUBWNGLZSA-N 427.505 0.350 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(OC)c1O)C2 1793346384 ODXDTCJTPUSJPY-AFIMGQEJSA-N 432.473 0.651 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(C)cc1 1795305857 XAWNQJAHZWOKET-ROAZTASUSA-N 427.501 0.822 30 20 ICED N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccccn1 1795611888 KQOCDADDQDKKGH-JWWGGVBKSA-N 426.517 0.370 30 20 ICED 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]1C=CCN1 1796317414 YZBQNNNHLWNCFV-ADHGMGHFSA-N 432.521 0.021 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796354031 WHSAXQFFDOGJMA-ZSBFGKGUSA-N 437.399 0.637 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796878856 ITDLSIQCEBZRKH-JHZZJYKESA-N 436.534 0.936 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237620 VQFXAHQYKBUYGV-YNVMFWSZSA-N 443.504 0.146 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)(C1)C2 1800701606 IIMIYVBFDXSMFN-QQKJYICHSA-N 447.488 0.111 30 20 ICED O=C(CCc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801410034 YCIDTSZSAIJLIS-OPMZPASUSA-N 426.517 0.697 30 20 ICED 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]1[C@H]2COC[C@H]21 1801604623 BNVNMZZEWCAFSA-HZFWPQPFSA-N 447.532 0.385 30 20 ICED 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CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739935 BMMOQUZEGZFMHW-VBKZILBWSA-N 434.449 0.518 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1 1838832618 WHYRUKZUSGAYNU-OAQYLSRUSA-N 429.477 0.639 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907409 ROHWMHWVIIMMTH-HTAPYJJXSA-N 438.488 0.556 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951228 FSCWEJLAJMKGIN-GAJHUEQPSA-N 442.516 0.933 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1839191898 JHDRUAJRRPHCKH-OAQYLSRUSA-N 436.892 0.157 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839222335 KOVKHHCQSXFBPE-LAUBAEHRSA-N 435.525 0.528 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1840162142 NKSKKLGQSXNDAJ-VOJFVSQTSA-N 439.925 1.000 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840168998 CYKVHSLTTGYUOE-QFIPXVFZSA-N 425.489 0.532 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840174759 VWXPXXKMCKVEHQ-IIBYNOLFSA-N 441.525 0.295 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccc1 1840352858 OPZKIVISCAOUCF-HHPVHHTKSA-N 431.537 0.977 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1842872531 JUPNFRNTTDJDJV-OAHLLOKOSA-N 449.556 0.650 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919406 BBVAVBGIHBJJRD-HNNXBMFYSA-N 437.541 0.357 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccc(O)cc1 1846413793 RZMGGAAQVBZQID-PKOBYXMFSA-N 426.517 0.685 30 20 ICED C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CS2 26879733 PFRWVDNSDKBMFC-VQIMIIECSA-N 434.543 0.845 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnc(C)o2)CC1 472628323 HWMIOFRDODZGQO-UHFFFAOYSA-N 430.440 0.569 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 479300155 ARJDWWVLZOTCGU-UHFFFAOYSA-N 428.430 0.811 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 481795092 MGSUQBZVENROBY-CABCVRRESA-N 428.511 0.288 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)C[C@@H](C)O1 484263864 WIUDYZPDSJVRMR-HDICACEKSA-N 444.536 0.708 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 485743419 BIYLNYNKBMSNCK-ROUUACIJSA-N 434.518 0.563 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 486977217 DMRGKWVHOJCPRY-QGZVFWFLSA-N 427.548 0.791 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(Cc2cccs2)c1=O 488989674 WVQDAAXDPWDSEH-CYBMUJFWSA-N 426.523 0.862 30 20 ICED C=CCn1nnnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 505847847 HRVWVGYXXCHTMT-UHFFFAOYSA-N 438.535 0.289 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 508134404 JMLSHCVEAQDDMR-KRWDZBQOSA-N 441.469 0.456 30 20 ICED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C[C@@H](C)C#N 511705719 WVYYQDJHTLPQST-INIZCTEOSA-N 436.534 0.772 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)cc1 512473118 ALEWZXCSSCAHIR-UHFFFAOYSA-N 448.526 0.370 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)COc2ccc(C#N)cc2OC)c1 517982675 YVPPSUUPLAWJGY-CYBMUJFWSA-N 446.485 0.997 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(C)c2)c1=O 523477568 CSBAMOFECJDPEQ-MRXNPFEDSA-N 429.542 0.909 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1 523667328 YRAVNHFZPZDOCC-SFHVURJKSA-N 448.545 0.980 30 20 ICED C=CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 525704468 OHIPEGPUNMOHBW-CYBMUJFWSA-N 432.520 0.891 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 536795273 JMWIVJHSSIQWJM-RRCSTGOVSA-N 429.433 0.464 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 540402681 AGSJDHPYXVRAAY-AWEZNQCLSA-N 446.533 0.762 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)n2)c(Cl)c1 541146463 YCPUXEWJAFNNTE-UHFFFAOYSA-N 430.852 0.701 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 551833703 QOAPMJMMQIEGJS-UHFFFAOYSA-N 430.472 0.217 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 558040410 JOOLMFBYRXPYIL-AEFFLSMTSA-N 431.512 0.961 30 20 ICED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC)n3)c2=O)cc1 567536596 DKABNUAZAGHESM-UHFFFAOYSA-N 436.493 0.950 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C 580635468 HHBOUISIBMPHDH-MRXNPFEDSA-N 433.463 0.952 30 20 ICED Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 581003918 NPBGEGIWRKDCBM-SFHVURJKSA-N 449.515 0.248 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 583344367 JYNVMGAUAUMRLV-UHFFFAOYSA-N 439.515 0.737 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)CC1 588236361 IDBZPXKQMRVUNZ-RBBKRZOGSA-N 438.576 0.508 30 20 ICED COCC#CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 611194615 BIRRAHYIBVBHRP-UHFFFAOYSA-N 438.506 0.388 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 611365267 YKDRTDQGAGMRKH-UHFFFAOYSA-N 436.472 0.916 30 20 ICED C[C@@H](C(=O)NCC#CCNC(=O)[C@H](C)n1nnnc1C(C)(C)C)n1nnnc1C(C)(C)C 681338859 HOVCKGDJOYTQSE-KBPBESRZSA-N 444.544 0.313 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 726043868 UNDIMLNUCQIWDX-ZDUSSCGKSA-N 430.417 0.860 30 20 ICED COc1ccc(-c2nnc(S)n2CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861991 VVQQJRFNKABZQP-VLGSPTGOSA-N 428.474 0.885 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)N1CCN(C)CC1 733977319 KZYMQNDGPKIDRF-AEFFLSMTSA-N 435.594 0.892 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 734068283 CCEYBZBIORPPKS-FQEVSTJZSA-N 433.578 0.915 30 20 ICED C[C@H](CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742715827 YAERKBLBMUVAEH-HIFRSBDPSA-N 444.517 0.549 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 745354299 SRDWZPALYQUXKO-IAISJRAMSA-N 427.527 0.690 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)C1=O 748564010 HMMPMHMGMAKPMS-OAQYLSRUSA-N 426.429 0.686 30 20 ICED COc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 749020116 JXCXLQNAKQNRSV-UHFFFAOYSA-N 431.470 0.747 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cc1 750705991 QSOFTOTVMWAUQU-HAVVHWLPSA-N 430.490 0.746 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758050609 RFUJNWLARGIKQU-UHFFFAOYSA-N 425.558 0.677 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCc1cccnc1 767892043 RXIQQLDKDPWSQV-UHFFFAOYSA-N 441.538 0.270 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ncnn1C 789615712 ZSUXGWFVDRNZHI-XQAVQBLBSA-N 433.494 0.444 30 20 ICED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789619491 XTGKOBHRHLGZIK-ACIHENLCSA-N 437.522 0.421 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794599056 UKXWRFUHXZFUDD-MRXNPFEDSA-N 443.525 0.700 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1ccccc1SCC#N 803861929 NIISALALDBADTD-UHFFFAOYSA-N 436.471 0.653 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 806713916 VDOSQPJMABZERX-HXUWFJFHSA-N 442.516 0.631 30 20 ICED C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC)c1 812156418 OTMCORUXDNQXCG-CQSZACIVSA-N 434.522 0.591 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CC1 812277862 ZRTDHNGEWTWKIN-UHFFFAOYSA-N 437.472 0.572 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250754 YPXISKOIXWAQFW-NSHDSACASA-N 437.472 0.360 30 20 ICED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 915118254 RIZMBOLRYLKTKT-OAQYLSRUSA-N 430.428 0.617 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 916440743 QFZGLWFJIHXDTB-ZBQKJFDRSA-N 428.536 0.862 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1=O 917200706 JTVIZJJKUFZAQY-GASCZTMLSA-N 443.479 0.971 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 920249896 YRIAPVBONLHULB-INIZCTEOSA-N 428.532 0.264 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921104107 PLDCSTVYKLIZAK-ZDUSSCGKSA-N 428.536 0.917 30 20 ICED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CC(O)(CC#N)C2)c1 1256346771 LJLBSYFFQRMJFS-UHFFFAOYSA-N 449.270 0.642 30 20 ICED CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1294839437 TYHMLRKGLAIEJC-KSSFIOAISA-N 425.559 0.935 30 20 ICED COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1299798226 RZUFHRHDNPWOJV-GJZGRUSLSA-N 426.543 0.966 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1303403421 ZIUXKEFNVQBMSS-MRXNPFEDSA-N 425.541 0.960 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1314143554 VSRCLLDEIWJXPL-GHTZIAJQSA-N 432.525 0.917 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)N3CCOCC3)CC2)C1=O 1318151764 QJJCMJMABSIHDO-NRFANRHFSA-N 426.477 0.353 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1360240879 SQABKBJTDPQKFC-INIZCTEOSA-N 449.581 0.418 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1456334276 LUSRWLMLUGRAMN-IBGZPJMESA-N 438.506 0.213 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCOC1 1497055951 LDCARCGEPFSPLX-LAUBAEHRSA-N 431.541 0.524 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1503260297 PDABPPJVORUMEN-QGZVFWFLSA-N 430.490 0.892 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1516029669 YFQSTQZGHYTHDH-ROUUACIJSA-N 448.549 0.996 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1519123712 UEWUCHVUXLSKAC-KRWDZBQOSA-N 441.536 0.974 30 20 ICED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1519529142 PYTZKIFMDSCRII-MRXNPFEDSA-N 444.517 0.584 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(C)(=O)=O 1694132238 YUCXELDJCCPLOO-CABCVRRESA-N 447.569 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1723957873 VSKXAZQKGZOQJS-IYOUNJFTSA-N 426.543 0.558 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1726405910 JBHBENJTSGEOAY-HOCLYGCPSA-N 445.553 0.245 30 20 ICED CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729224545 PLBAMRZFUNEQHP-UHFFFAOYSA-N 447.569 0.335 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1741057269 NUDHSJXPEBAFKI-OAQYLSRUSA-N 443.531 0.746 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOCC1 1741931396 NQTKRILFRKXQSN-QFBILLFUSA-N 439.586 0.741 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749275406 APNHAMNJZCUXAQ-UHFFFAOYSA-N 430.962 0.919 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1764582366 ZAGZSVZRIMYECF-INIZCTEOSA-N 446.533 0.878 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1778976377 XQFKNUIOPLERQP-VFNWGFHPSA-N 431.468 0.885 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccnnc4O)C3)C2)ccc1F 1779920469 WDIBFFVCQWSQAI-OAQYLSRUSA-N 425.420 0.879 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1781860757 JTIMLBOQQVUFNB-HTAPYJJXSA-N 444.488 0.845 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782207252 XHRRWVOXZCIJKZ-LGFFLQIISA-N 440.537 0.689 30 20 ICED COCCOCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783901749 WYPHJQBWFLUBOL-PXNSSMCTSA-N 448.582 0.221 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1784198766 ORVZNPQXEOQDAF-WNHJNPCNSA-N 447.532 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784372982 QOKRPNKAXFQRLJ-QJFPOAGESA-N 434.537 0.131 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1785082357 NMLJUTNCTUVDBD-HJPURHCSSA-N 436.468 0.682 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)c1 1785156974 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GZWGIWDQJPJAHQ-QGZVFWFLSA-N 442.563 0.415 30 20 ICED C=C[C@@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 426852757 CAOYOLXMOZVAQB-NSHDSACASA-N 437.287 0.886 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 428687721 WUBOHLMZBCAFOW-AAEUAGOBSA-N 432.424 0.752 30 20 ICED N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)C2)nc1 428795459 RJPUROQIZCOFAQ-INIZCTEOSA-N 427.486 0.643 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)CCCOC)cc2)C1=O 440252164 FOGVRAIKOJJPIY-KRWDZBQOSA-N 437.518 0.681 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 446525404 XMYXUNHGZAPTEX-LSDHHAIUSA-N 437.522 0.643 30 20 ICED C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 464603246 UTJHOPWXHIPNHJ-HZPDHXFCSA-N 429.477 0.927 30 20 ICED C=CCN(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)c1nc(C(=O)OCC)cs1 466993884 TZRYKTXDDFNERD-UHFFFAOYSA-N 431.474 0.891 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)cn2)C[C@H](C)O1 475200235 BVNCWJJQZKOXMQ-HOTGVXAUSA-N 438.488 0.988 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477171844 ZZIZQCPAOCFCAE-UHFFFAOYSA-N 425.507 0.577 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477223546 SCYWXDXNVJTHAR-CYBMUJFWSA-N 432.433 0.292 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccon1 480926268 KFYLFJGLOPMHLF-UHFFFAOYSA-N 428.470 0.503 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480953820 AROCSIKAYYZCST-UHFFFAOYSA-N 442.472 0.741 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C#N)cs3)c(=O)n2CC)CC1 481969661 CXAGFVGUNBGCCN-UHFFFAOYSA-N 427.555 0.530 30 20 ICED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 497654512 VBEFKLXEFOBQSR-UHFFFAOYSA-N 425.474 0.775 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCC2(OCCO)CCOCC2)cc1Br 501420861 BBKQVSVEAXTZFH-UHFFFAOYSA-N 426.267 0.934 30 20 ICED COc1cccc(CC(=O)N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c1 504112630 UTNQFBLENJONDR-UHFFFAOYSA-N 438.488 0.966 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn1CCC#N 504501493 ASZONHNYTSOULW-UHFFFAOYSA-N 441.467 0.966 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 505881961 WOKYMKFDTWAEKA-MRXNPFEDSA-N 430.490 0.462 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 506666403 SWZNWJKGEKJMEF-KBXCAEBGSA-N 442.497 0.981 30 20 ICED C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508941006 GAVDSNPNIPSKJY-ZDUSSCGKSA-N 432.456 0.333 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 514645764 QRGKKEXRTODKGI-UHFFFAOYSA-N 446.598 0.641 30 20 ICED C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H](C)c1cccc(-n2cnnn2)c1 520186707 SLUFDONDTIDSKA-CQSZACIVSA-N 446.471 0.997 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 526098180 ZIMNVMSFSBUVCQ-UHFFFAOYSA-N 434.460 0.858 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCCN2CCOCC2)CC1 534935150 YZUZRVKIDPDLLC-UHFFFAOYSA-N 438.575 0.457 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc2cccnc12 542216694 IAAATPKNZVVYOY-UHFFFAOYSA-N 435.509 0.279 30 20 ICED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543005655 VLNKGBPAARIWSP-QGZVFWFLSA-N 429.408 0.594 30 20 ICED C=CCn1c(Cc2noc(-c3cn(CC4(C)COC4)nn3)n2)nnc1N1CCOCC1 544308115 HVBKCOHOZBOKQX-UHFFFAOYSA-N 427.469 0.570 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 555949398 JEZMMCROFKSCQR-MRXNPFEDSA-N 426.498 0.971 30 20 ICED CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 560677184 YFFYIPVNOOIQQU-UHFFFAOYSA-N 436.516 0.859 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1 570401489 UKUVVXHIOJMHTJ-WKWINLMASA-N 430.468 0.703 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 588202774 SOMQYQKWGRYIHZ-UHFFFAOYSA-N 446.471 0.969 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 609940710 VHKKAAUOWZLHRR-UHFFFAOYSA-N 442.501 0.290 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 611176288 YQVBQNYJQPSYSU-UHFFFAOYSA-N 439.969 0.704 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)CC1 618840728 KMHCVPDNVRWBNW-IBGZPJMESA-N 432.550 0.365 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 619835254 JYKWSRVTYAECAX-UHFFFAOYSA-N 429.458 0.880 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCN(CC(F)(F)F)C1 684296080 ZOFKSBUMMNBXGQ-ZIAGYGMSSA-N 442.404 0.991 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 726043594 YLHSADAZNBZIGK-UHFFFAOYSA-N 446.460 0.301 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)c(Cl)c2)c1=O 727163071 JORSRRQGLUOIIZ-UHFFFAOYSA-N 443.337 0.792 30 20 ICED N#Cc1cnn(CCOC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1N 731771820 PBDQUHZNHJBKPN-UHFFFAOYSA-N 428.474 0.741 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1=O 738149966 YFSWNYFAMBGWBT-UHFFFAOYSA-N 443.479 0.991 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1 749862436 RBKCERFIFYEQRV-HOCLYGCPSA-N 439.493 0.913 30 20 ICED Cn1c(N)c(C(=O)COC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(=O)n(C)c1=O 759071240 SNRBICOMOZNLEG-UHFFFAOYSA-N 436.428 0.483 30 20 ICED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 759715438 HYONVKZUOOTUDV-GOSISDBHSA-N 432.462 0.769 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 761038082 NKOJAXMGFUAARG-UHFFFAOYSA-N 435.550 0.192 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(OCC#N)c3)cn2)C[C@@H](C)O1 762538107 SEPONYCPIGGDSV-HUUCEWRRSA-N 440.460 0.998 30 20 ICED C[C@@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)NO1 765375844 LAWLZWXGSGGMSY-FQVLRVHISA-N 429.520 0.619 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 765511905 FWZLBIUZWTYAFH-RISCZKNCSA-N 432.424 0.847 30 20 ICED COc1nc(N(C)C)sc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 767109080 IGEOMLBWTNLGDH-UHFFFAOYSA-N 439.567 0.995 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cnn(C=C)c3)c2=O)c1 772300768 IPHTVTAZSRCBOK-UHFFFAOYSA-N 427.489 0.983 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774956442 UHOBNMHXPJEZTL-LBPRGKRZSA-N 447.391 0.502 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 778746254 NNQBUXPZFBMREP-HNNXBMFYSA-N 436.428 0.044 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 783010761 HDNYXDRZCMUNNZ-UHFFFAOYSA-N 433.527 0.833 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 783347545 OSBGNMFSZPVYHL-UHFFFAOYSA-N 445.563 0.727 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)c1 783453059 NPQXMEFYBBJDQC-IBGZPJMESA-N 434.452 0.605 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccnc2N2CCOCC2)n1 787283165 HFSAWZFWHBIJRG-UHFFFAOYSA-N 440.504 0.039 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cn1 791186753 DAMYZNXHZJEWOG-UHFFFAOYSA-N 441.513 0.937 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 793916916 GZGOFOCQLZYUBQ-UHFFFAOYSA-N 441.532 0.266 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)cc1 799846021 FGOGWGJHWUUBNF-SNZUYFENSA-N 440.547 0.465 30 20 ICED C=C(C)Cn1c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nnc1C(C)(C)C 802579277 MVEOLMSNZWCXHD-OAHLLOKOSA-N 445.611 0.791 30 20 ICED C#CC[C@@]1(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CCCN1C(=O)OC(C)(C)C 808594201 FSEMIYBSSJRDCH-NRFANRHFSA-N 445.476 0.797 30 20 ICED C#CCn1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)cn1 819536847 BHPCGZNDPMWAHX-HNNXBMFYSA-N 434.474 0.756 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 856619940 SCNHHVFPVKNMIW-CVEARBPZSA-N 449.529 0.751 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)ccc2c1=O 914492912 FCOFXMCAEBFEJI-UHFFFAOYSA-N 437.547 0.435 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cnnn1C 1303811220 NDUHJPHMKCQPFX-ZDUSSCGKSA-N 429.510 0.573 30 20 ICED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1360602095 MGMLBIMZJTVGSC-RKVPGOIHSA-N 443.549 0.299 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1502209002 MQHDWPDLUROHSX-UHFFFAOYSA-N 425.536 0.732 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1508426565 VETCTBSZSSWPRJ-HIFRSBDPSA-N 429.568 0.601 30 20 ICED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2CCS(=O)(=O)CC2)cc1 1521082744 LIHUVHYVDSWNNJ-QGZVFWFLSA-N 428.518 0.953 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3n[nH]c(C)c3C#N)ccc2F)CC1 1557529392 VCYPOECAFCAYTI-UHFFFAOYSA-N 434.453 0.834 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c(=O)n1C 1559449035 YNEIGZFGOIVBIE-UHFFFAOYSA-N 437.500 0.467 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1611686753 LSRHFXJEHSFKBG-RHSMWYFYSA-N 429.522 0.053 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@H]1C 1611707537 STXIIJDLJMQXGM-HOSILWTGSA-N 445.553 0.846 30 20 ICED CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1618847285 OLYZHBWUFNITNA-KRWDZBQOSA-N 434.522 0.752 30 20 ICED CO[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CC1 1618995804 ULZOYOHMXXQQOY-DLBZAZTESA-N 438.554 0.776 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCn2cc(Br)ccc2=O)cc1 1641607119 YKWUNAKUDNLTEN-UHFFFAOYSA-N 439.291 0.577 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1651066525 LNCQCIVVKZPWFB-HNNXBMFYSA-N 438.506 0.589 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)C1 1706933433 FBSQITNRUQMZKO-APWZRJJASA-N 448.553 0.707 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1741126930 VXSROGLPLJVMIY-LSDHHAIUSA-N 427.575 0.595 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1750061955 SLRUMXLDKLCYHX-KGLIPLIRSA-N 446.599 0.842 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1760307839 WILQHNMSGSFFBZ-AWEZNQCLSA-N 448.387 0.857 30 20 ICED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCOC1 1769782673 XHKQVRCDGSZDFK-NRFANRHFSA-N 426.477 0.861 30 20 ICED COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1770988520 SVGZMJCQLMUQAM-HXUWFJFHSA-N 449.533 0.751 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1778975244 XJVNBNGGRYCWLW-HYBUGGRVSA-N 442.560 0.786 30 20 ICED COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)nn1C 1780240838 BKXFJVMGSUSRBY-VGOFRKELSA-N 446.552 0.838 30 20 ICED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1N(C)C 1780661402 NJAURNOZOOIKNZ-AUSIDOKSSA-N 443.500 0.977 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cnnn1 1782198821 WEVVTXXAUSJATH-XCLFUZPHSA-N 435.448 0.126 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1783170119 DTGPCNHVTAXVBO-VGOFRKELSA-N 425.489 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495624 VVWWGRCDFHRJRF-MXSVQDJISA-N 437.496 0.765 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1783661530 JPVWGBYVGFQFHJ-AZUAARDMSA-N 432.583 0.840 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1783766744 OOKCXLLOBAEIFW-IIBYNOLFSA-N 448.524 0.577 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784110818 URQITVVAHNGHCK-JOCHJYFZSA-N 441.871 0.446 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(C#N)c1 1784475606 DCRMORFWDFMPCZ-KSFYIVLOSA-N 438.488 0.792 30 20 ICED C#CCO[C@H](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 1784478583 BIXNKKPMFGSRJF-DRMAHVMPSA-N 446.504 0.794 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785412031 NTGIHRHVJOYZDT-JTSKRJEESA-N 433.505 0.712 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1785420392 AJFIJHOBVFBPRM-PGRDOPGGSA-N 447.557 0.905 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4)[C@H]2C1 1785798820 SVLORSKVBHCSLP-ZQIUZPCESA-N 443.504 0.887 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H]5CCC(=O)N5)[C@H]4C3)c2c1 1786573616 GWQMGTVQUGOGFF-IKICRFKJSA-N 436.472 0.306 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788572786 KBDSRKNNJIGMNX-CBVHJVASSA-N 427.505 0.896 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1788658744 WXWFGLKXSMEPCT-MLTMIUDWSA-N 436.509 0.118 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n4ccnc4n3)[C@H]2C1 1790407818 BWDNWPOPGMPQFR-DFEOGRTESA-N 425.489 0.669 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)COC3)C2 1792489363 QVIMSCIOQYMZPI-TUVZZLAOSA-N 425.485 0.778 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1Cl)C2 1792491193 AUQGQRFHWOWAQZ-HXOTUCBJSA-N 447.919 0.821 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1792903450 VEFQXHAHPVNYDZ-WQDJSCAQSA-N 428.464 0.934 30 20 ICED 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 1795437870 GPHISVHTAMIKFT-ZMMAXQRCSA-N 436.553 0.444 30 20 ICED COc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1 1795598460 XFCPPWGFHNISIE-RMFSNUHRSA-N 443.548 0.894 30 20 ICED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)cnc2c1cnn2C 1796072729 IIDSIQPXSHQTFQ-ZSBFGKGUSA-N 426.477 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CNc2ccccc2O1 1797674956 IJTOAWZIRYXQNM-GKICUZSHSA-N 427.501 0.878 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)nc1F)C2 1800773333 LOYKPHPBZJKUQR-KEODLESXSA-N 440.225 0.274 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CSCC(=O)O)c2c1 1801023114 FKBNKFRCKHOHOA-IVWMJMPLSA-N 443.485 0.456 30 20 ICED 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(CC)COC1)C2 1802129126 ZGYVYCVDDZSKGT-MHORFTMASA-N 449.548 0.919 30 20 ICED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807150762 OMGLDITXDUJJSE-WMZOPIPTSA-N 430.509 0.725 30 20 ICED O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807600920 SPADTWKDYNGMES-NMGZXGSKSA-N 441.492 0.908 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807741899 GRCNNLSOFBHXEQ-PLQHRBFRSA-N 449.558 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813131273 FIERWYFOOASLTL-YCGPSCQYSA-N 439.516 0.472 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1813224957 GLLWVBRRWGLYLO-UTKZUKDTSA-N 425.489 0.833 30 20 ICED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)cn2[nH]cnc(=O)c12 1829600435 YOVVKDQAMLIJPQ-QGZVFWFLSA-N 439.472 0.652 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)C1 1829663067 GFTILAJDHUHDOJ-MRXNPFEDSA-N 438.374 0.764 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1829777161 ROXYENOXSWLXEH-FQEVSTJZSA-N 430.567 0.870 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224040 BPXREIUWHHHXNY-ZHRRBRCNSA-N 435.521 0.769 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831396967 MYCPSKRMJICMSJ-OPAMFIHVSA-N 447.488 0.207 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1831407283 UOLBUNNXHOSOFT-HXUWFJFHSA-N 438.550 0.828 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1831425137 QWLTVSMMYIPQKX-LZNRXBQRSA-N 432.521 0.519 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)nc2s1 1832101562 SEEHHGMZEJELHV-HXUWFJFHSA-N 446.533 0.648 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832408278 YOLSBJOZKLVIPH-CVDCTZTESA-N 435.565 0.602 30 20 ICED COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832855643 QUWQPJRSFQVJCR-HSZRJFAPSA-N 427.501 0.893 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834037320 NNGCUYMLBYPFMQ-JOCHJYFZSA-N 429.521 0.742 30 20 ICED N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccccn1 1835099003 WHJYWRWXGDHIEX-ISKFKSNPSA-N 434.496 0.590 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C1(O)CCC1 1835667289 ARTYMQJLBXNASE-LAUBAEHRSA-N 436.553 0.276 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)ccc1F 1835857113 KOWCQAAYLPRYOW-OAQYLSRUSA-N 443.435 0.439 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919973 NGXVACHKYCDPGR-HNNXBMFYSA-N 443.504 0.398 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1837072339 PTAUXNSVDUTEBR-UHFFFAOYSA-N 441.550 0.447 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837463020 XZLNYUJLPOGGRM-NRFANRHFSA-N 440.610 0.919 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1C 1837528332 HBAMIKLOOSMCCT-GTBXIFBCSA-N 448.520 0.933 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CC1 1839082973 LHPPIAAWYZJMNP-YVHKJVDXSA-N 430.505 0.148 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839437395 VCFMEBJRAVGCQN-YWZLYKJASA-N 431.518 0.656 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839874989 OKNXRILGWFOODT-ICPLQIHGSA-N 440.500 0.520 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c(s3)CCCC4)C2)C1 1840042309 NEFVTNDOJTXTSG-NRFANRHFSA-N 432.498 0.785 30 20 ICED CCOC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043599 JBDRTCHZXGQLEB-QFIPXVFZSA-N 444.440 0.021 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1C 1840044913 GUQYIXYUSLXGDH-QFIPXVFZSA-N 446.456 0.170 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089893 LAANAPMZBWYZBP-TYILLQQXSA-N 431.555 0.674 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840163723 NDGNXZDOUAUYJR-QRWLVFNGSA-N 431.518 0.656 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818339 XFBLLRZGGDCOBC-JOCHJYFZSA-N 426.473 0.943 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1840843798 LZWUKTYPJWXKLF-QUYTYNJFSA-N 429.473 0.626 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066482 PVPXXPBEIRMKDY-BBWFWOEESA-N 436.553 0.772 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847102462 PVHDXCQACXXVQO-MRXNPFEDSA-N 449.552 0.945 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2nc3ccc(F)cc3s2)c1=O 432726847 DYJQWUKNVXVIJK-GFCCVEGCSA-N 444.513 0.994 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](COC)[C@@H]2CCCO2)cc1 435289372 NBANNJFBVAJPFC-IRXDYDNUSA-N 425.507 0.742 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1=O 440255686 ATZSLZIQPFWFNK-KRWDZBQOSA-N 426.473 0.910 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443154120 IETNVJWMBDMDRO-LBPRGKRZSA-N 434.396 0.936 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 447464799 XEGBOFASGMYHNV-CRAIPNDOSA-N 434.493 0.805 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460807043 YJAANYVZYZCGIV-UHFFFAOYSA-N 431.460 0.833 30 20 ICED N#C[C@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C#N)N1Cc1ccccc1 463961727 BWDDFEYXQKGVIN-XSDIEEQYSA-N 437.500 0.522 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)nc1=O 464852369 CDXHGVVFZGIIPJ-ZDUSSCGKSA-N 426.481 0.242 30 20 ICED CNC(=O)N[C@@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@@H](NC(=O)NC)C3)c2)C1 466465547 MTIWPKKBCAHONE-ZIAGYGMSSA-N 430.469 0.482 30 20 ICED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 472159997 JSOAKNXRIOJUFY-AWEZNQCLSA-N 431.522 0.397 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)s3)c(=O)n2C2CC2)CC1 482554341 HMKGLYKJUCOIFU-UHFFFAOYSA-N 439.566 0.845 30 20 ICED O=C(NCC#Cc1ccccc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 483060276 PQJSGCUTWCGKSG-AEFFLSMTSA-N 429.454 0.887 30 20 ICED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 484566507 SZTLUPQSGIFILW-UHFFFAOYSA-N 439.534 0.425 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 487381352 TVUHGAWALGJGTC-UHFFFAOYSA-N 425.457 0.943 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 499808484 DZLRSYAXMZUZNX-UHFFFAOYSA-N 436.472 0.617 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502053074 VDEDGWQMYAVNKB-UHFFFAOYSA-N 427.436 0.716 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1CCC#N 504131130 LBCBRWVEPRJNRZ-UHFFFAOYSA-N 445.461 0.998 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCn2cc(Br)cn2)cn1 508227386 TWKGNPBKYCSNIR-UHFFFAOYSA-N 429.238 0.853 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)C1=O 517264867 ANWZICGCRLPSOM-UHFFFAOYSA-N 427.442 0.874 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 518623044 PIQZDQVLPRPXOO-UHFFFAOYSA-N 430.461 0.960 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543003571 YMIYEUVRFRFFAT-AWEZNQCLSA-N 442.451 0.917 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 547962961 YNSRPJIYXMRMAK-OAHLLOKOSA-N 434.477 0.052 30 20 ICED C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 558993965 AHYVBEDYIQLAMF-UHFFFAOYSA-N 448.491 0.640 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3nnc4n3CCCCC4)C2=O)cc1 559426279 BWVWPFUGWKWARO-QGZVFWFLSA-N 435.488 0.804 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 564617417 LQLPAUSPNQSBNJ-UHFFFAOYSA-N 434.503 0.258 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568147113 OYAXNVKENFAPII-CQSZACIVSA-N 425.474 0.236 30 20 ICED CCOCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569497084 WBWXOKZCUDTVJO-LJQANCHMSA-N 427.505 0.351 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 573877045 LXIIWWOMHVZSQX-ROUUACIJSA-N 426.473 0.577 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 579036628 GJOBXTKLLJRTJN-UHFFFAOYSA-N 443.548 0.592 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 580605232 NBIVORNRYKQRNQ-UHFFFAOYSA-N 426.470 0.535 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1=O 581717491 DZEVSNHGOQVMRE-JCYILVPMSA-N 436.578 0.482 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610810992 MVCPUQGAIBIKSF-BBEJJTJUSA-N 433.490 0.062 30 20 ICED C=CCc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 613417120 JYUCFKMZIKCJGP-HXUWFJFHSA-N 438.594 0.265 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cc(F)ccc3OC)CC2)c1=O 732526396 QDOKKYXSJXVNTR-UHFFFAOYSA-N 445.495 0.467 30 20 ICED Cn1cc(N2CC[C@@H](OC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2=O)cn1 733832210 XPWKAOGHOJNZCB-IAGOWNOFSA-N 436.428 0.845 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 734202940 LIGXFUXXEGXRBY-GOSISDBHSA-N 439.516 0.923 30 20 ICED N#C[C@@H]1C(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)=CC(=O)n2c1nc1ccccc12 734838061 MBVMQPDAUTXQPR-SZVBFZGTSA-N 441.513 0.311 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sc(C)nc2C)c1=O 736581478 GTEUQLKSRHZVOL-UHFFFAOYSA-N 448.570 0.382 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 742140198 ATCZVORKQCBNNY-CQSZACIVSA-N 430.490 0.161 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1C#N 742144034 QVCICKQDMQSMPV-UHFFFAOYSA-N 427.445 0.905 30 20 ICED C[C@H](CC(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497880 XGOFLNGNECWVLW-CZUORRHYSA-N 445.501 0.976 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749870837 VXTUZHVNXDGOSA-AWEZNQCLSA-N 427.530 0.242 30 20 ICED CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2O1 751988542 IBKJFENNSLQZCH-QCPHZMBFSA-N 435.458 0.358 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C1 755539113 ZVLVODOZIMXGPB-BBRMVZONSA-N 427.461 0.786 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)s2)c1=O 758072747 YNAKWHHEAJEGFS-UHFFFAOYSA-N 426.548 0.555 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cc[nH]n1 770822660 DUFCVVBBHWVKJK-UHFFFAOYSA-N 428.405 0.384 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)cc2S1(=O)=O 771075372 YZJFAYJWBDURHJ-UHFFFAOYSA-N 441.487 0.231 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 771891129 JNWGZQBNZAMXAP-UHFFFAOYSA-N 432.418 0.095 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@@H]1CCCO1 773787786 BMHBXBWFUKBTFH-PMACEKPBSA-N 441.532 0.132 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 776593667 YRGPHOIBOIWDTI-UHFFFAOYSA-N 446.573 0.363 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC=C 782573321 LCIZUEKTAGEMIG-UHFFFAOYSA-N 434.319 0.397 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)n(C)c1=O 791988050 LBZYRFNHCNOYRA-HNNXBMFYSA-N 437.460 0.303 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4ncccc4c3)n(CC(N)=O)c2=O)cn1 794622887 HUXOKNKUVJVXIH-UHFFFAOYSA-N 444.476 0.063 30 20 ICED CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 803785414 YXFUNJCCHVYWRR-GOSISDBHSA-N 438.462 0.911 30 20 ICED CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCC(=O)NCC#N)c1 804819589 AEOLUPSRIQFJCO-UHFFFAOYSA-N 431.312 0.895 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 807655941 GIGCORYZDZCIIG-IBGZPJMESA-N 441.532 0.053 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)cn1 807935245 DUHVIEPRDZFYMS-CQSZACIVSA-N 440.493 0.982 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 809205041 HSECNZJUWUYGJB-IBGZPJMESA-N 449.489 0.658 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@@H]1CCCO1 809311197 GQQWQHDNMLBQFG-AEFFLSMTSA-N 432.908 0.720 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779512 CMBFUDPLXHEQMP-UHFFFAOYSA-N 435.509 0.560 30 20 ICED COC(=O)C1(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 918872429 NEIKOKOIYDGCMG-UHFFFAOYSA-N 437.474 0.260 30 20 ICED CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1296959280 PBITZGJAGWKPBB-UHFFFAOYSA-N 431.518 0.982 30 20 ICED CNS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1299306993 YEOKKQMTLFFGMY-AWEZNQCLSA-N 429.506 0.715 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1299384281 INYJPSFMIXLOIX-QVKFZJNVSA-N 426.498 0.881 30 20 ICED COCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1301460670 WLGBJIYTMHNPAU-AUUYWEPGSA-N 434.522 0.786 30 20 ICED CS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1316360293 SWIJXULSXSFZDW-NSHDSACASA-N 444.315 0.314 30 20 ICED COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555235982 XASAFNIWHZFRAU-PMPSAXMXSA-N 439.524 0.888 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1628072649 WRURMABGUCFEQE-IUODEOHRSA-N 425.532 0.539 30 20 ICED CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC12COC2 1644411797 JOVKVPSPJORSCW-IRXDYDNUSA-N 432.546 0.968 30 20 ICED Cc1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1669976330 CATMOZAKUFCEEV-QGZVFWFLSA-N 429.520 0.055 30 20 ICED Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751809907 YPKRACKOAASTKD-RHSMWYFYSA-N 447.569 0.270 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1763267386 MHDPXNKRSBDNDD-JNAXZKDPSA-N 431.518 0.980 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779067066 MKDREXHNBJIBJB-QHCPKHFHSA-N 444.484 0.946 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780022342 REWCEUPHMUDXRE-JOCHJYFZSA-N 425.489 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780195066 MLVWUCLBKWAKHY-SPLOXXLWSA-N 447.444 0.791 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)cc3O)C2)C1 1780548666 GPNXLDFUHNRMCL-ICTHTSFCSA-N 429.473 0.703 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1781689301 XOOLJQGVFMATQF-GSHUGGBRSA-N 433.505 0.712 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)n1cnnn1 1782603380 PYNVFAFUURDIRO-VZRQTSGISA-N 429.481 0.460 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783056313 SVEWQQIWRKJPHQ-FGZHOGPDSA-N 446.504 0.605 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccc(Cl)c1 1783565291 JMJVCEVWLHQHFM-TZIWHRDSSA-N 447.875 0.435 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21 1784484765 AMZIGDBPGUHOTJ-IGGJEDBVSA-N 437.500 0.899 30 20 ICED C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C(F)(F)F 1784874153 AHGVQVNTKGOCPJ-FPXQBCRKSA-N 446.466 0.978 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784912478 SJYXZTRZQALHCL-VOAKCMCISA-N 438.374 0.360 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCc4sccc4C3)[C@H]2C1 1785101207 GLPGPMWPRXLAOS-ULQDDVLXSA-N 431.514 0.174 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc1C#N 1785195761 AWHAVHHDIKOVKG-NRFANRHFSA-N 428.493 0.272 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331848 GDEIUTCHDWYNOC-MRHSLFKSSA-N 442.516 0.776 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)O 1785612112 ZZNPYHAGTDVYFO-IIBYNOLFSA-N 438.525 0.784 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3[nH]nc4c(Cl)cccc34)[C@H]2C1 1789713136 MYRYNXZNGCAYMI-JDFRZJQESA-N 444.875 0.827 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1789952477 INLMVVZHQNKURC-WOYTXXSLSA-N 431.555 0.448 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)ccc1F 1794360201 VEQLOSQWUPJALS-VPTLXERWSA-N 440.431 0.542 30 20 ICED Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1795769427 GZVPFHIHIPZRRA-AXEJTIDPSA-N 433.509 0.471 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2 1797815083 IFDYYXNCVZTFNZ-RURPVRBFSA-N 437.884 0.862 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799071980 DRZZETNMBUQCBB-NYCLONFESA-N 448.545 0.072 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)c(O)c1 1799585072 FEKYRFJEOFKGTE-DPIQGUFMSA-N 437.246 0.446 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)CC2 1800779007 KBHDMRIIJQVIMF-DBHNTLKXSA-N 426.469 0.478 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1801001841 NWROEDUUOOMZOK-AAUAJYIVSA-N 443.500 0.696 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC#N)C3)C(=O)C1 1804526364 AMHGOBKJBFHBAI-MUJYYYPQSA-N 433.509 0.618 30 20 ICED N#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1806859975 CFYUURHYHZCBRO-YLJYHZDGSA-N 433.534 0.122 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1807143923 QUUCWIGGIQWOMF-IEBWSBKVSA-N 442.520 0.821 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1807193856 HUXRDRBJUUIUFX-IJEWVQPXSA-N 427.427 0.799 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809663598 VWJQMFOTZDOTKB-HNNXBMFYSA-N 432.458 0.743 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810488250 RXBAZEOXTHFTIT-CQSZACIVSA-N 444.496 0.458 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)[nH]n1 1814439225 CSIKPXNPFYNGPA-SAABFPIUSA-N 428.493 0.786 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1814976461 OQNJVWYYKOERSM-CQSZACIVSA-N 434.566 0.669 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)ncn3)C2)C1 1829260241 JYBVLWGJCNUYOR-QHCPKHFHSA-N 449.467 0.881 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(S(C)(=O)=O)c4)C3)C2)C1 1829663965 RNHGDOJNSUQGJJ-NRFANRHFSA-N 449.529 0.521 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458787 GXLDRDQTZSBCJG-NFBKMPQASA-N 428.533 0.945 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1831393194 UVQUQCIZWBAEFA-UZUQRXQVSA-N 438.484 0.738 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1831393367 KPFLDEXHORAFAI-ZHRRBRCNSA-N 426.473 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831399212 RNCQKDFLUNUYQU-HJPURHCSSA-N 441.484 0.290 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1831404142 JRGMQVBENISLIU-DYESRHJHSA-N 425.526 0.340 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccn3c(O)nnc23)CC1 1831669737 XBVHCKXDNSJZHB-INIZCTEOSA-N 425.445 0.756 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831738161 GQLNSKSELLAGQP-QFIPXVFZSA-N 437.456 0.632 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833276079 FNCCQJMBSIRCDQ-HSZRJFAPSA-N 436.468 0.884 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834038202 FBWVXKOIYTZIDV-PIVQEWKSSA-N 446.504 0.989 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccon2)CCO3)c1 1834488362 UHIWBTHFXBCMFS-OAQYLSRUSA-N 426.429 0.939 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190576 RNDMHYOCTINVJC-VCOZGABYSA-N 429.521 0.552 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836868458 VVUUFDUIFLKXGI-JXFKEZNVSA-N 439.553 0.727 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094412 OIKPFYTWUZRYMA-HPARJBSBSA-N 441.488 0.611 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1837310847 USVHKHUZOPUEQU-ZFGGDYGUSA-N 448.608 0.847 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1C 1837443861 SKZVCXMKROWJAX-XMHVBLFMSA-N 431.537 0.875 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1837953210 LBOOZDXQUPYDPE-QFIPXVFZSA-N 445.520 0.442 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)c1Cl 1838597934 GFSPNDIRTZJPTD-FQEVSTJZSA-N 437.880 0.291 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838805875 XUULOEDQPLZZOT-OAQYLSRUSA-N 426.429 0.422 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)cc1 1838951601 ZWACGFPFXLBOGP-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)CCC1 1840813739 SBAXPGJEVHJMKL-JXFKEZNVSA-N 433.534 0.163 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1841427085 FSFUTVKWWODABE-IRXDYDNUSA-N 435.521 0.864 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304524 ILHQMCZOFYSPSI-KRWDZBQOSA-N 441.532 0.816 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844185007 KQDPQUMTJXTKEW-AWEZNQCLSA-N 445.524 0.440 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846410296 LBAYSMHXTZMMDB-AOMKIAJQSA-N 435.521 0.600 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10793939 BJRCOSCCOPYLHU-UHFFFAOYSA-N 445.881 0.530 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)CC2)o1 116785743 QLLRBZLSBZWQKO-AWEZNQCLSA-N 446.533 0.844 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 410398713 AMHYMKUPCSJXQN-HNNXBMFYSA-N 442.542 0.072 30 20 ICED CCN(C[C@H](C)C#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429601791 AOKQXCGZCRWOIT-UKRRQHHQSA-N 438.506 0.378 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C2CCC2)CC1 430971857 PTEFSICPXMVLBI-UHFFFAOYSA-N 426.546 0.035 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 435248984 RDKIBONUCHTAJL-AWEZNQCLSA-N 430.896 1.515 30 20 ICED Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1S(=O)(=O)NCC#N 438378058 WGNJKFKBBNNTGY-HNNXBMFYSA-N 432.506 1.303 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1OC(F)(F)F 443152053 ITPPSJBXJZKNRL-UHFFFAOYSA-N 439.394 0.818 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 443857016 SEBDOOGCNPWKAP-LMSBXDPUSA-N 433.486 0.594 30 20 ICED N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)ccc1F 445719796 BLXZWJOFADLMEV-UHFFFAOYSA-N 444.432 0.837 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 446762901 RXJVXFARNZZKCZ-UHFFFAOYSA-N 446.489 0.422 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 460578475 SCKUHSTZVKCYQF-UHFFFAOYSA-N 434.412 1.310 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N2CCCCC2=O)CC1 460732526 FQGWCQXRVNENTK-UHFFFAOYSA-N 435.488 1.389 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)Cc4ccon4)CC3)C2=O)cc1 462298826 RVFLTUCQUZFEMA-QGZVFWFLSA-N 429.458 0.326 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 465273689 RMYYUNWRBRRIND-HKUYNNGSSA-N 441.536 0.099 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 465329877 KJNNRXGCLCDUAK-UHFFFAOYSA-N 437.504 0.516 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 473846550 ZLVPQCIRUULQBN-SFHVURJKSA-N 436.472 0.743 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 485030560 GMFIURWUJDFCBX-LHSJRXKWSA-N 430.461 0.971 30 20 ICED COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 491270921 LEVNWGCOOPTKMK-SJORKVTESA-N 428.445 0.544 30 20 ICED NS(=O)(=O)NC[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 500317391 UMWQBGHKRDOOLH-OAHLLOKOSA-N 432.468 0.678 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 500805231 BRJPNBAPKNKUBL-UHFFFAOYSA-N 438.506 0.997 30 20 ICED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N(CCC#N)CCN1CCOCC1 502496453 UUFDLTLVGMYLPE-UHFFFAOYSA-N 433.534 0.655 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 503315969 MDZMRHFMMQJNTA-MRXNPFEDSA-N 429.521 0.600 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 506671994 GTLUTRXOVWVWGH-UAGQMJEPSA-N 447.517 0.597 30 20 ICED CN(CC(=O)NCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(C#N)cc1 507638009 RQARQOJEADWPRI-UHFFFAOYSA-N 426.454 0.591 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508890205 WFHHYYANXWKGQB-UHFFFAOYSA-N 438.492 0.606 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCN(C)CC2)c1=O 512728428 FVKGGERTAAFUAL-UHFFFAOYSA-N 428.562 0.421 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 531546736 VMLGQIDHBWBDSO-LBPRGKRZSA-N 446.471 0.924 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542085886 SOIFBOISVQZNPW-UHFFFAOYSA-N 443.895 0.616 30 20 ICED COC(=O)CCOc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548042350 LTVFSIIWDYQVNR-UHFFFAOYSA-N 435.462 0.861 30 20 ICED N#Cc1ncn(CCNC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 553602381 LIFNEXBQNOCLOT-UHFFFAOYSA-N 437.551 0.928 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(=O)(=O)NC)nc3)n2)nnc1N1CCOCC1 561882436 KTISESQFFBFPAY-UHFFFAOYSA-N 446.493 0.245 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 572340391 LRPVGSFRRSTJAA-KRWDZBQOSA-N 437.521 0.383 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(Cc3cc(=O)n4ccsc4n3)CC1)CC2 574826530 QQTHRHAFIABEEI-UHFFFAOYSA-N 448.508 0.861 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 578160107 AFZVALFAFWKWSV-IBGZPJMESA-N 438.488 0.579 30 20 ICED N#Cc1cncc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)c1 589272336 KNXKWBQCZAKHLU-UHFFFAOYSA-N 446.514 0.788 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C1CC1 590996904 FCEDNUUNQRVRJP-UHFFFAOYSA-N 443.525 0.918 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)cc1 603436058 RXZBPOYBEVIWKF-UHFFFAOYSA-N 431.504 0.952 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 609457496 BPFWXAPQRVSGNR-GOSISDBHSA-N 433.534 0.113 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 674480969 QBRVGZCZRQADEN-LHSJRXKWSA-N 427.461 0.378 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nc1 729009842 DSOLYDNFQDIKFD-UHFFFAOYSA-N 443.481 0.557 30 20 ICED COCCN1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 729070981 WEJWCFSKLNACMC-NVXWUHKLSA-N 439.472 0.627 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)C(=O)C1 741374113 SICCKIXRWSIEKS-UHFFFAOYSA-N 430.461 0.797 30 20 ICED CCN1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 745085619 HJEDCCBDKPXXIV-GOSISDBHSA-N 448.545 0.809 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCOC1 749868573 IAABZCUFMSALLQ-OAHLLOKOSA-N 429.546 0.753 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(F)c(F)c2)c1=O 758070796 XWDCCLBBVGQMTR-UHFFFAOYSA-N 431.464 0.867 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 758573337 DAYQBWBIZFZOMO-LTAJLKHCSA-N 443.504 0.852 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 776834494 FJRSEYCBMITYAJ-IBGZPJMESA-N 447.580 0.308 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 780104908 SFVNFGKDMIYGJE-SFHVURJKSA-N 435.502 0.290 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)n1 781539684 CLEIYQDKMHNBEA-ZDUSSCGKSA-N 429.408 0.860 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 783481587 QCBLDNNCENPMBI-ZDUSSCGKSA-N 438.458 0.078 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 783545338 QOYAXLDTWKJGFC-UHFFFAOYSA-N 430.548 0.813 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 787102361 AQRBAKXSVKQEHQ-JOCHJYFZSA-N 439.560 0.962 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 787760731 VGPPPJXORVZELR-SFHVURJKSA-N 436.472 0.915 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)CC1 796889696 QFKZXVWPMCTAAH-UHFFFAOYSA-N 433.440 0.167 30 20 ICED N#C[C@H](C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 797022011 ADNAJUIFCDSALC-OAHLLOKOSA-N 446.934 0.860 30 20 ICED C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H]1CCCO1 800942921 LOLZKRJTQZBOOK-ROUUACIJSA-N 437.493 0.589 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)n1 808033076 GJPJWCZYTALRMZ-SJORKVTESA-N 433.509 0.474 30 20 ICED CC1(C)OCC(CO)(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CO1 812837543 RSWKGCZOTWCIIR-UHFFFAOYSA-N 445.476 0.558 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 838183012 KEWPHNIBIAJXFP-UHFFFAOYSA-N 443.525 0.618 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 916177224 RJTMKXGYVVRZDK-IBGZPJMESA-N 430.417 0.969 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1298097014 KDXZBEAPKREZEC-LJQANCHMSA-N 446.537 0.947 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1305149722 OPDDJELQZCSCAJ-CQSZACIVSA-N 431.522 0.375 30 20 ICED COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315403940 ZZWIKJWFGXKRRG-RTBURBONSA-N 435.481 0.945 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(CCCN1CCOCC1)Cc1ccncc1 1318484996 YWDASTGDQWDFCL-MRCUWXFGSA-N 442.520 0.842 30 20 ICED COc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1475509038 NXHARAUCKAKBIU-UHFFFAOYSA-N 429.252 0.570 30 20 ICED COCCN1C[C@H](Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1555572432 YSVBJOOEFANDJX-DOTOQJQBSA-N 439.524 0.458 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1692804821 UAVDROWLVQNXAV-MAUKXSAKSA-N 447.565 0.727 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1728784883 VABZULOEHUNILD-GOSISDBHSA-N 426.543 0.609 30 20 ICED CN(C)CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1729339191 SQPFPGPKFUGKKR-MSOLQXFVSA-N 439.520 0.947 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C(C)=O)CC2)c1 1770346723 ILHWLYSPACEADI-HXUWFJFHSA-N 439.520 0.847 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476078 OVJUNUCWWTWAJM-GWJNGDFSSA-N 425.493 0.645 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066901 HYYCCHWXKRQBSW-DEOSSOPVSA-N 439.512 0.928 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101286 MEJLFVWNFGGEOB-MKMCAPMPSA-N 435.481 0.401 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779107473 VKHACSRENYOQTG-CSUTVWHKSA-N 438.510 0.256 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779375935 PJQCBCKALAMOHR-JXXFODFXSA-N 426.583 0.575 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779401170 CSPBEHOZZQCYNK-DYESRHJHSA-N 435.521 0.555 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1781050508 ZTEOZFQAEPDFSZ-FVLCUVFVSA-N 441.528 0.442 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781336969 MUGKZWWUKFRXEF-QVKFZJNVSA-N 438.525 0.642 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782665854 BZKKVBQVAAFFAV-GSHUGGBRSA-N 430.505 0.621 30 20 ICED C[C@@H]1[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1783569600 WLYBEBNMRLWJHN-XCGNWRKASA-N 449.504 0.550 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783900147 PLZLJLLJCVJWME-VGOFRKELSA-N 437.537 0.896 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C[C@H]3CCOC3)NC(=O)OC(C)(C)C)[C@H]2C1 1787515009 RWNUEWFUQUKROU-SPOLIRPYSA-N 449.548 0.919 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1788632727 XMHKUVVABUMQEL-FHWLQOOXSA-N 447.532 0.507 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1792172118 IXEAJHAZWZOWRE-FJIDUMEYSA-N 436.553 0.622 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796573720 HODIJMBVBWYVFJ-QDMKHBRRSA-N 448.443 0.015 30 20 ICED O=C(/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)NC1CC1 1797613551 ADNSOGFLRRLHFN-OIQBNGKOSA-N 429.517 0.109 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466365 BVYZQUGCBBXSLV-AGGWBTHJSA-N 435.431 0.746 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799150184 HHPSPJXTORNIHR-YKOWFYHYSA-N 442.516 0.689 30 20 ICED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2Cl)CC1 1799751166 QMZFVGFPEKGRQS-UPHUGPLXSA-N 445.951 0.662 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)[C@H](C1CCOCC1)C(=O)N3)C2 1800452359 HCYFIRWHBBIMEF-YVCBRDFCSA-N 437.496 0.985 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2 1800781255 TVUFYSMSOKICCN-WEMPKCCASA-N 425.485 0.329 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc(O)cc1 1801054211 PGNIPWRYRGCXPZ-XWQURZDVSA-N 437.500 0.771 30 20 ICED CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1803480670 SODOTFYKGXGPDN-AVRDEDQJSA-N 426.517 0.922 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331459 DUKXIOJACIMPBB-BTTYYORXSA-N 437.591 0.767 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)c(O)n1 1805138120 ZJVLHWPSJXCJQG-YJBOKZPZSA-N 426.473 0.931 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807145019 FPQDSEDWGYXDGY-SJLPKXTDSA-N 425.497 0.056 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)c1 1811190774 MDMLXTHLTJGAHR-KXBFYZLASA-N 444.455 0.804 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1812677033 NFODZGXMIPIDHJ-OFQRWUPVSA-N 427.427 0.799 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812882890 SKQVLPJFZAAWAJ-UGNRZPKXSA-N 439.468 0.931 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814464483 JWWHFFQGHYHHMK-GHMZBOCLSA-N 425.536 0.687 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817247659 MHZBLTCQRDVZTJ-MXNZRWAUSA-N 449.512 0.524 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452617 QSUVLSAQWXNHMY-MXNZRWAUSA-N 449.512 0.524 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1819707546 XCOFFJBPLFOCOY-NDMJEZRESA-N 435.506 0.226 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nc(O)n4c3CCCC4)sc2C1 1820240739 ULUBYQHRMCXTAI-JTQLQIEISA-N 429.458 0.695 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800557 FUPQGSFIDNKASU-DOTOQJQBSA-N 431.470 0.922 30 20 ICED CC(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332232 FNXKUWWPZCXAOW-QFIPXVFZSA-N 441.440 0.116 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(C)(C)C 1831093282 KJFSLNHRZNPKNZ-HTAPYJJXSA-N 434.537 0.687 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208599 OBTMMKSHRSDTJZ-WZONZLPQSA-N 447.532 0.866 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831222839 ILPFFRTVVXOYMQ-XMMPIXPASA-N 439.512 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1831393362 KPFLDEXHORAFAI-KSFYIVLOSA-N 426.473 0.623 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1831398973 NGZXHMNAFDNOMK-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1831406718 AKVHGYUJRONLSK-NRFANRHFSA-N 425.526 0.198 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831439825 SXSLKORGCREAFB-GOSISDBHSA-N 432.564 0.268 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1832177676 OKIVTAUVYKWCJX-NRFANRHFSA-N 445.428 0.072 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1833314350 CBVUGOQCQAQMAD-QHCPKHFHSA-N 449.467 0.436 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1833466813 SAGAWZOWPILVSY-QGZVFWFLSA-N 443.548 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(CC)c1F)CCO2 1833732732 DNAULIPIIVVIBC-RMUOZIPVSA-N 449.483 0.040 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605362 RFHIUIGCAVFCDJ-ZISMNVMJSA-N 449.460 0.239 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835347654 AYAFZDDEGNFAIF-YVHKJVDXSA-N 433.505 0.726 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835450899 ABPXMVQHIFKFDY-KRWDZBQOSA-N 436.553 0.991 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1)n1cnnn1 1836287814 XGIOSNRYCLDNAZ-INIZCTEOSA-N 436.520 0.991 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836886291 QDUYUTLOUKTRLX-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1837394920 KYKUEMJLSYMVSX-BTYIYWSLSA-N 438.500 0.754 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1837490691 LRVOZZGNRRDJRD-NRFANRHFSA-N 433.461 0.149 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837641195 GOSKAGPGCYHWCQ-CVDCTZTESA-N 437.500 0.422 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837662008 YVORYGYYXGSWQU-QVKFZJNVSA-N 436.509 0.033 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838594885 AMGLCXPQAYMLGG-LHSJRXKWSA-N 448.907 0.793 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1838907275 JAMUXPFJZWCEER-HSZRJFAPSA-N 449.467 0.662 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)C1 1838907758 MVTIIDMQQGEHNI-NZQKXSOJSA-N 426.517 0.970 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)cc1 1838950852 JMMNJXDOUYPHDD-IBGZPJMESA-N 437.399 0.738 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1839174752 VHLXAJAXZNJYNF-JOCHJYFZSA-N 437.537 0.438 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667386 NBNJJMFCQFNARU-JTSKRJEESA-N 428.489 0.070 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1)C(F)(F)F 1839893240 PDSGSNHKNIPTBO-SFHVURJKSA-N 439.394 0.918 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1840167956 YAQIEBQMZAWQJG-JOCHJYFZSA-N 428.489 0.914 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840173110 CDVIYZHEDICXQJ-JOCHJYFZSA-N 426.473 0.649 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccc1[N+](=O)[O-] 1840758315 SJOSXGGTRXUZPV-NRFANRHFSA-N 444.444 0.977 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)Cc3ccc(C#N)cc3)C2)CC1 1841099717 QANBGYKHKZOFOC-UHFFFAOYSA-N 444.557 0.976 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)c1ccc(O)cc1 1846413648 AAEMEJOSLNMHRN-KRWDZBQOSA-N 449.444 0.817 30 20 ICED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc(C#N)cc2)CC1 111147602 XKLDHOZEMPRXMY-UHFFFAOYSA-N 434.543 0.931 30 20 ICED COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 409578547 UKXRIDKUQVOSLO-GDBMZVCRSA-N 439.490 0.635 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 410117885 JTGAAQQVZJYHGX-QZTJIDSGSA-N 425.489 0.782 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC(=O)OC)c3ncccc23)C1=O 427209140 AGEFLHWVMZWWIX-UHFFFAOYSA-N 426.385 0.702 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 435195794 ACKVABMLJWPVCZ-UHFFFAOYSA-N 445.541 0.911 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1=O 439365739 QOUNMTNWZLWLLZ-INIZCTEOSA-N 442.476 0.818 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 441952797 MWNCHMOATQUCBZ-ZDUSSCGKSA-N 428.539 0.907 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 445708244 YDAVFXBMDVPAEJ-UHFFFAOYSA-N 444.432 0.837 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)NCCc1ccccc1 460610216 FZIHYEUHESNBPO-UHFFFAOYSA-N 431.456 0.861 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 465491005 BPQVASXNIGVJCR-LLVKDONJSA-N 427.446 0.602 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)ccc21 471012929 BLSWXQNDTXMKOO-INIZCTEOSA-N 447.517 0.488 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CC1 477317908 MWDLLXGBZFWUJD-UHFFFAOYSA-N 432.433 0.558 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 481348319 PNCJAAFLXRAOFF-CQSZACIVSA-N 441.510 0.728 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 487148920 ARRUBGQZFRFAHF-HXUWFJFHSA-N 438.532 0.609 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 506865566 FTXCVGNHXFVONG-ZDUSSCGKSA-N 435.506 0.506 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCOC2)c1=O 512724722 GIWSGQTVARSOBY-HNNXBMFYSA-N 429.546 0.438 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOCC 523080169 OOVFFKMIAKNXRD-UHFFFAOYSA-N 425.510 0.686 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc2c(c1)OCCO2 531884127 OSQCHDIMNPCYEX-UHFFFAOYSA-N 434.477 0.623 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC1 533720268 AXXGDZZAWFCYDY-UHFFFAOYSA-N 428.468 0.455 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 538348564 VYDLEUQCOAWGIN-CVEARBPZSA-N 425.580 0.471 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 541368874 IQMWKDRDLJJHAU-UHFFFAOYSA-N 426.495 0.356 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H]3CCOC3)CC2)c1C#N 549595251 ZZGTYKGGDJCKOK-INIZCTEOSA-N 436.524 0.955 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 550801740 VKHYNSKLNDPDJQ-UHFFFAOYSA-N 427.486 0.322 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)nc1 557472437 JDOASLJZKLLXJN-CQSZACIVSA-N 431.430 0.820 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 557732920 IDYGABABIDOJNU-UHFFFAOYSA-N 433.597 0.546 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 558040416 JOOLMFBYRXPYIL-WMZOPIPTSA-N 431.512 0.961 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)c(F)c1 562098996 XWEDLVPMIMMESX-AWEZNQCLSA-N 441.385 0.625 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 565321464 OYQDJMYSXCMTIN-LBPRGKRZSA-N 429.296 0.799 30 20 ICED COC[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCO1 570245792 RRWJCVUHCNLPCQ-JKSUJKDBSA-N 443.460 0.765 30 20 ICED CC(C)OC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 572753889 AATSGPSTRWINJI-OALUTQOASA-N 428.489 0.822 30 20 ICED CCN1CCN(C(=O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 581028412 ZJNJDUMXIIQGNK-UHFFFAOYSA-N 447.561 0.239 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 585688303 ZNUQRIHXRNOFTG-MRXNPFEDSA-N 449.577 0.998 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccs1 609038693 VKFGZFQSMOSTFG-UHFFFAOYSA-N 446.579 0.936 30 20 ICED COC(=O)c1ccc(-c2nnn(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n2)cc1 610219930 LSNYBLRIFRIWON-UHFFFAOYSA-N 436.432 0.644 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N 611166334 GVBCPZNNUNRFLW-LBPRGKRZSA-N 447.521 0.697 30 20 ICED CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401324 MLRMSEVTZXQPNK-IAQYHMDHSA-N 431.518 0.910 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 728158288 NEBAJVHRZPHPIW-CWTRNNRKSA-N 436.465 0.758 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 729672888 MYQHKRARGBJZHF-UHFFFAOYSA-N 443.428 0.880 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)NCC#N)c1 731238636 DKQMKUCQPWKTAM-UHFFFAOYSA-N 438.506 0.350 30 20 ICED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(C)c1 732909162 ZTOTUQKPFNXUEB-IRXDYDNUSA-N 431.514 0.931 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 734225617 LMLDWROKKDMMBC-RNWAHURQSA-N 449.533 0.563 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sc(C)nc2C)c1=O 736587611 NFFXDCLULXAZOG-UHFFFAOYSA-N 443.598 0.836 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 737229190 MNMRTAAJRMVNAN-UHFFFAOYSA-N 449.529 0.727 30 20 ICED C[C@@H](CC(=O)NC1CCN(CC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655836 DTWQQHWOWSBRAZ-AWEZNQCLSA-N 435.550 0.173 30 20 ICED C[C@H](CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742681944 CVZDFTIANGSTEA-SJORKVTESA-N 449.577 0.026 30 20 ICED CC(C)S(=O)(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 750937799 YTVDYEGMGKZMAT-UHFFFAOYSA-N 431.312 0.916 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755554621 UKQHDPPSNXANTM-XJKSGUPXSA-N 445.476 0.625 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CC1 756143811 RAQUYPOZQSXVRW-IBGZPJMESA-N 437.522 0.779 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 756880656 BYXLGZBJYDVORQ-SWLSCSKDSA-N 441.510 0.428 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 757014609 JMWKHIQJJJUZJH-CQSZACIVSA-N 428.470 0.655 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cncc(F)c2)CC1 759426317 PPECMKPGWZWTLY-UHFFFAOYSA-N 432.433 0.782 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 761037186 MHUADELQSGSFKT-UHFFFAOYSA-N 436.563 0.106 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)c(C)o1 767960323 XQBFDNPCOCECHQ-UHFFFAOYSA-N 440.481 0.518 30 20 ICED COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1C 769215954 OQQJUYFCOCBJLC-UHFFFAOYSA-N 433.442 0.994 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C#N 775199603 XLSZENVMXWMALL-ZBFHGGJFSA-N 431.449 0.817 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 775792664 HXVCJXATKYUOMX-IAGOWNOFSA-N 427.473 0.568 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)c(=O)n2C 778756748 GPPGAZPOFLHVQI-OAHLLOKOSA-N 436.428 0.044 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340619 BTCJBZLRJHKCKP-ALKREAHSSA-N 441.481 0.547 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(N)(=O)=O)CC1 785582044 XANFUIVSCGIIMJ-OAHLLOKOSA-N 442.563 0.419 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)c(F)c1 786569148 JMLBNXDNYWQIBC-ZRJZNHTDSA-N 431.395 0.842 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)n1 789788462 SGQOCSVGKUFGSY-UHFFFAOYSA-N 432.502 0.924 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n(C)n1 793075843 DAMVXGGNMLDEGZ-QJOMJCCJSA-N 432.506 0.796 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)c1 797387492 HIQLOEKKXVKSAU-OMNSNBSWSA-N 435.506 0.162 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nnc(S(C)(=O)=O)s2)ccc1F 803273638 PWOGPMZORWPTMT-UHFFFAOYSA-N 435.480 0.902 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1Br 806880601 WKGUZZTXWYOAFP-UHFFFAOYSA-N 445.295 0.037 30 20 ICED C[C@H]1CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 808963611 LRKCVNMVPXMCHY-HNNXBMFYSA-N 435.502 0.749 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1F 914465834 MMBZPIQQOSPTSQ-OAHLLOKOSA-N 445.538 0.235 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)c3cccs3)CC2)o1 915384003 GCGCHNGUFWBXMN-GFCCVEGCSA-N 431.474 0.927 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 916703625 OAICREFMAGQZFA-INIZCTEOSA-N 430.486 0.230 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 917930940 NETLCQFWHMCCDN-HIFRSBDPSA-N 442.515 0.488 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1116124261 CIOCVKBJKGKKIW-UHFFFAOYSA-N 443.547 0.136 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1303455188 ZYROYXBBNCZPOR-UHFFFAOYSA-N 432.506 0.488 30 20 ICED 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HOQOBYPEWZLGNN-DEOSSOPVSA-N 445.479 0.851 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cnn1C 1835672582 FECSFNMQTQUEHX-NRFANRHFSA-N 432.525 0.080 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1835680442 IQELNWOBDSZLGP-QFIPXVFZSA-N 430.505 0.744 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCC1 1837496131 FHNWHVHDKOUHOG-QHCPKHFHSA-N 429.517 0.835 30 20 ICED Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524199 BPMYNICXQJVECF-MBIGCVILSA-N 446.504 0.989 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524686 FROFGCNJGKCRJJ-QNHIVOQWSA-N 441.525 0.379 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c[nH]1 1837528691 NFBOAVZOEXNSDC-CMEFWWCBSA-N 434.493 0.922 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837562563 NGLGJMFIRRRXRO-XMHVBLFMSA-N 432.521 0.641 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837770164 OZTRBHAVDGREJB-FYJGNVAPSA-N 439.534 0.742 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797357 HQVTZSQGWMVXLG-FQEVSTJZSA-N 440.416 0.573 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnn1C(C)C)CCO2 1838018839 OTKVRDNNBIPWPL-LXHZQTKUSA-N 445.520 0.392 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838498527 OQYMPPXAGZZXKE-VBKZILBWSA-N 431.518 0.860 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905470 ICBFDHNWSCKISN-HSZRJFAPSA-N 442.516 0.791 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1839451754 LVBAPPSJBIHNQZ-OAQYLSRUSA-N 445.545 0.953 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4cccc(F)c34)CCO2)C1 1839598047 OKDVLEJWFSTBJU-QRQCRPRQSA-N 444.463 0.810 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839808434 RJSMIQJZDCQJMC-FCHUYYIVSA-N 435.521 0.723 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840193201 AAPJCWQXBUEEBT-FQEVSTJZSA-N 433.486 0.446 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840589384 IQHDNGVPWHIHNC-GCJKJVERSA-N 438.521 0.769 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840842003 IBZBHAYDHKKFBN-HSZRJFAPSA-N 442.516 0.402 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](CCC(N)=O)C2)CC1 60374444 WMBLRHUNZAVYCZ-KRWDZBQOSA-N 447.561 0.369 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CCOc2cccc(OC)c2)CC1 409485324 NWRNJHDOVNNAQW-UHFFFAOYSA-N 426.539 0.798 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434997424 ZZPNSRIDQVACPP-DZGCQCFKSA-N 438.506 0.709 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCOC1 441934645 NCSAWMXIUKZRQU-OAHLLOKOSA-N 443.500 0.899 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 444511722 NWAHWUXXFVOJJM-UHFFFAOYSA-N 444.517 0.952 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NCC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c1C#N 472154103 KNEVXXHGLUTSNU-HNNXBMFYSA-N 441.511 0.855 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)s1 477433022 GAKGFHPSYRLSDA-UHFFFAOYSA-N 433.555 0.998 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 478640269 SMHWSNLIZHXERV-UHFFFAOYSA-N 426.514 0.959 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2C(C)C)c1=O 478743130 XTZBAWLQUQWTCN-UHFFFAOYSA-N 442.589 0.764 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 482182175 PRFAFUSIWUUFRP-KRWDZBQOSA-N 433.578 0.711 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 484607180 YBIDVVHGTNJTBN-UHFFFAOYSA-N 441.506 0.316 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)Cc2cnn(CC)c2)cc1 484708129 SEGLRUVPRRETQJ-UHFFFAOYSA-N 449.533 0.669 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 501297669 FCCAUCRYMVUUKD-UHFFFAOYSA-N 432.444 0.076 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nn1CCC#N 504507970 QGCDEEYAIPCUIL-UHFFFAOYSA-N 437.504 0.504 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2=O)cc1 505158301 IGDZBQMERKQNRD-SFHVURJKSA-N 430.428 0.784 30 20 ICED CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508344715 UVFSTXCRKNVKGB-UHFFFAOYSA-N 433.494 0.292 30 20 ICED C=CCn1c(-c2sccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508885443 PSLGAAAJJGRMMG-UHFFFAOYSA-N 428.522 0.968 30 20 ICED CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(CC(=O)N2CCN(S(=O)(=O)c4ccccc4C#N)CC2)[C@H]31 511680978 JWBHKJBCIHXOIG-LDAQOBCYSA-N 444.557 0.746 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 522538379 DZDVKWYZRZQPAF-UHFFFAOYSA-N 445.504 0.518 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 532642613 TXRLDLVUVLDCFH-UHFFFAOYSA-N 435.550 0.238 30 20 ICED N#Cc1cccc(N2CCN(C(=O)c3csc(S(=O)(=O)N4CCOCC4)c3)CC2)n1 545463214 SIDGBVWDFCTOSD-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CC[C@H](CC#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 546568225 HHVVIKCCMUPPPW-QGZVFWFLSA-N 438.488 0.863 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)nn1 549717349 MBZXOWZKQVAIQF-UHFFFAOYSA-N 439.476 0.997 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCOCC1 574664666 ASAQDBPFFOMUCH-HXUWFJFHSA-N 431.512 0.819 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(CNS(=O)(=O)c2cccc(Br)c2C#N)nn1 576435128 KBZMCDPPLIKFPD-ZIAGYGMSSA-N 442.295 0.977 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 578166047 WGSAKMLZZHCADC-UXHICEINSA-N 431.489 0.865 30 20 ICED CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123855 MJOGLUPLVWMTIF-RTWAWAEBSA-N 432.613 0.886 30 20 ICED COc1c(F)cc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 590448844 CINYNTDYDTWYDV-UHFFFAOYSA-N 433.465 0.640 30 20 ICED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)c(F)c1 609686700 VYAJGCLGBWNQBV-IBGZPJMESA-N 430.528 0.935 30 20 ICED N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1Cl 609824765 MOLBFJIQROQYPR-UHFFFAOYSA-N 448.954 0.531 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)C1=O 726042203 FXZFUFDAPOUSPK-UHFFFAOYSA-N 439.808 0.816 30 20 ICED O=C([C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 729369366 WSWDEJJJOSDUJT-KRWDZBQOSA-N 448.545 0.745 30 20 ICED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(C)c1 732909161 ZTOTUQKPFNXUEB-IAGOWNOFSA-N 431.514 0.931 30 20 ICED CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1F 744131287 VKQMMFDAXIZSBQ-GOEBONIOSA-N 427.429 0.498 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748184534 QOGRERXTOLGZNA-UHFFFAOYSA-N 429.520 0.156 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCSC 751824087 HZZIXRHMOASTJC-UHFFFAOYSA-N 435.575 0.316 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 758078951 UCANFPAIYZGARW-UHFFFAOYSA-N 441.557 0.755 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2c(Cl)oc3ccccc23)c1=O 761276296 VOBMRKUTOZNWLF-UHFFFAOYSA-N 448.913 0.885 30 20 ICED CCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 762416943 ZXFZHCSBUIWBCE-UHFFFAOYSA-N 430.490 0.636 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 762544912 GKZRBBGVJWMYNX-UBJVEFMGSA-N 449.533 0.565 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 771071319 LRHNXRNYZAGZJK-UHFFFAOYSA-N 427.504 0.461 30 20 ICED CCc1nn(C)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 771157008 FBTHQOJKPHXKSR-UHFFFAOYSA-N 445.501 0.544 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)c(F)c1 771890840 ICEMYHWPKHADBX-UHFFFAOYSA-N 433.259 0.688 30 20 ICED COC(=O)Cn1cc(CCOC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 772671956 VQVVYTKRYGJWMC-GFCCVEGCSA-N 435.462 0.054 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2c[nH]c(C#N)c2)cc1)S(C)(=O)=O 776966466 OCDPIMCDYZDRMN-UHFFFAOYSA-N 426.476 0.421 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(=O)n(C)c1=O 781126582 BDOLWTGHZCKFTI-IAGOWNOFSA-N 445.545 0.650 30 20 ICED C[C@@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NC1(C#N)CCCCC1 786996128 JNKRVZSEVXFGIN-QZTJIDSGSA-N 434.537 0.974 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 797641201 LXYQTCWTYSEJFW-UHFFFAOYSA-N 433.917 1.000 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804749472 QJVFXUHKFLBLMF-KRWDZBQOSA-N 441.488 0.511 30 20 ICED Cc1nsc(N2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C#N 810064086 QTAJOXDBSIMLGN-UHFFFAOYSA-N 445.549 0.977 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(CN2C(=O)CNC2=O)cc1 913023209 RTFUZSAQBRUXKE-UHFFFAOYSA-N 441.469 0.806 30 20 ICED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCCN1CCOCC1 917027022 ZFKFZTACGYHULF-MRXNPFEDSA-N 442.611 0.380 30 20 ICED N#Cc1ccc(NCC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 919627773 GPDZTXSUSFEFIP-QZTJIDSGSA-N 435.502 0.708 30 20 ICED CSC[C@H](C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122506317 KBYSOIOQJMXBPN-DZGCQCFKSA-N 429.564 0.190 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1455916511 QXRQNIVBIMIFKN-ZDUSSCGKSA-N 431.474 0.641 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCC#N)CC2)o1 1471237305 OBXRZZLQXFWMNZ-OAHLLOKOSA-N 438.506 0.667 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1504888250 MNMNQSGMRLBRAS-INIZCTEOSA-N 441.554 0.826 30 20 ICED CC(C)Oc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1509816941 PBAZOAOAYRDHSY-HOCLYGCPSA-N 449.537 0.848 30 20 ICED COC(=O)[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCN(Cc2ccccc2)C1 1628010477 DNEHUSIIDPVJAY-QFIPXVFZSA-N 439.472 0.535 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCN(C)C1 1741921147 OVFAZUBMWRGOBL-KDOFPFPSSA-N 425.559 0.085 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1747468185 RCOOGVARLQHDOW-WJOKGBTCSA-N 445.549 0.959 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1752313193 VWWHXAFLMIYIOX-YWZLYKJASA-N 431.518 0.982 30 20 ICED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1769373330 HAPZYGXLBWMPKZ-ZDUSSCGKSA-N 444.521 0.337 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778006463 BJBIRCRGFCGNDN-PDSXEYIOSA-N 434.493 0.588 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1778968734 UDQTUCUUALQHIG-XMSQKQJNSA-N 427.505 0.834 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780803635 JASFETQOYUMWOY-DKYLXPRQSA-N 442.513 0.366 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)CC2)CC1 1781107952 KTLRJSYUAKYPQE-QHCPKHFHSA-N 437.544 0.782 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(CCOC)n1)CCO2 1781268269 LEOIJUKGYGTGAK-OAQYLSRUSA-N 434.493 0.482 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1C 1782196648 AJGKXJQRDKELSB-QFIPXVFZSA-N 449.471 0.934 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280303 SOKSKLPSDHWJJK-MHTGZXFVSA-N 447.492 0.638 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1783164295 MPHQLSGINBXSBN-OMXJDXKCSA-N 442.516 0.920 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)C(F)(F)F 1783203709 CMAZGJKRCDLUSD-QGZVFWFLSA-N 427.383 0.189 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2C[C@H]21 1783558633 UFYZMDWHPHNBIV-HBBPJZECSA-N 447.488 0.302 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785723701 BTUSRKPOJGUYRD-CUWPLCDZSA-N 426.517 0.925 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CC1 1792129345 ZSNBTUZNNTXUIU-BZSNNMDCSA-N 449.552 0.432 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1OC(F)(F)F 1792670464 JHLZYOXAYLVHGA-DPIQGUFMSA-N 426.347 0.876 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1)C(=O)O 1792831001 HRPXGTZPZRHGSN-NYUBLWNDSA-N 428.489 0.143 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794872744 CJICVYWGFGYKOQ-SFNKJDCFSA-N 445.520 0.389 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1795598831 AXTJDDOOSBCNMJ-JLVBRIDZSA-N 430.509 0.151 30 20 ICED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)n(-c2cccc(=O)n2C)n1 1796391299 PRBSKBJXELTUNJ-MUJYYYPQSA-N 437.456 0.219 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)c1 1797164126 GCTZPBGGSUPWDI-HATOLVCRSA-N 440.500 0.923 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)o1 1797748185 XRLQDPBBCCIBKD-CCWDJLKJSA-N 433.461 0.951 30 20 ICED C#CCCCC(=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 1799196132 GVIZGZOOOICEHY-KWXDATOUSA-N 449.548 0.607 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CNC2=O)C3)c1 1799281581 LUBCONKLNHHURY-MUJYYYPQSA-N 425.445 0.370 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801379708 TYAMCBXMTYLZBQ-PCXNWGEFSA-N 447.536 0.698 30 20 ICED 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)CN)C2 1802139927 QKLRFUABORYAHF-BAGFOUIPSA-N 436.553 0.640 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813229364 MDHLHSHQVOZNPU-NZQKXSOJSA-N 430.549 0.568 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813316289 NAJVWRPOTZLORR-WHBFPRCOSA-N 437.504 0.628 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817467088 YTRAIQSPCDTKNS-WFASDCNBSA-N 438.448 0.485 30 20 ICED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1820192832 TZTNOMDEFTZFNV-IUODEOHRSA-N 430.490 0.720 30 20 ICED C=CC[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829288918 PZZMCNMEZHMJDW-UZUQRXQVSA-N 445.516 0.961 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)CCN2C(=O)OCc1ccccc1 1829304346 TUABCIXEXIWDAX-JOCHJYFZSA-N 426.473 0.208 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830417755 HNXMIRCWPWWBTK-NVXWUHKLSA-N 438.525 0.950 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3c(F)cccc31)CCO2 1830652499 DUSWNOQXJQEKBW-JOCHJYFZSA-N 443.431 0.325 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831039650 PHGNHFFXSZUUQW-HXUWFJFHSA-N 437.880 0.901 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831490932 PICWXEVRWQDCFV-UZLBHIALSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831491719 FERIAXNAJLOZPS-KXBFYZLASA-N 438.506 0.199 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccco1)CCO2 1833044868 SNNJNNTVIFBAOM-IOOHMRRSSA-N 431.489 0.527 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)nn3C)CC2)CC1 1833956097 YDTUQBXPCDBEJL-INIZCTEOSA-N 431.537 0.652 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1834162081 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CITNIVLXEUAOTF-YSPNNUNSSA-N 435.480 0.892 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)n1)CCO2 1837932510 GRXHHACNHSMQDO-SFHVURJKSA-N 441.362 0.258 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1838583479 FJRJEUZALGNGDJ-JTSKRJEESA-N 429.473 0.673 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nccn5c4)C3)C2)c1 1838737481 ULGZOZNKQCBNIA-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCCN1 1839122759 CHFPVKMQIKHXBJ-YADHBBJMSA-N 430.480 0.909 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1839223791 ACNKNUISIHJUNG-XQFWAAQXSA-N 446.548 0.986 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nc1 1839225832 VQFASHPPZANWEO-IIBYNOLFSA-N 434.493 0.961 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485956 FLPMUDSZEULKTQ-NRFANRHFSA-N 443.460 0.123 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488037 SWPRQXOIQFIBMI-QFIPXVFZSA-N 440.504 0.504 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581064 CIRFGJGSTZCZEV-KSFYIVLOSA-N 432.521 0.570 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)c3cc(OC)ccc3OC)C2)C1 1839810663 KRQSBHLRBWRINI-QHCPKHFHSA-N 444.484 0.756 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840199962 QKLWHKSQGIFAPE-UZLBHIALSA-N 444.550 0.066 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840293249 OJNZFBAYGIAJPT-OAQYLSRUSA-N 426.477 0.388 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818500 GEOOFFDWKGVBCG-WMZHIEFXSA-N 442.516 0.488 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840845045 CCHIVIJTWILBJG-QHCPKHFHSA-N 427.501 0.676 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301457 OYPIHPKEXJNDOX-AAPWJSKRSA-N 439.465 0.214 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691960 XUGAEJGAIZKDME-PMPSAXMXSA-N 434.493 0.557 30 20 ICED Cc1oc(NC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C#N)c1C 10425419 RMRATIGVXVCWTD-UHFFFAOYSA-N 428.405 0.087 30 20 ICED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)c(C#N)c1C 19299344 BWYIIGRUSQGJNK-UHFFFAOYSA-N 449.920 0.918 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 24429286 BARIJAJSAAHHTK-LBPRGKRZSA-N 438.535 0.398 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 409484583 KTHGKZVHNFBTLF-ROUUACIJSA-N 432.587 0.683 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 433890245 INHYCNXEMAUWDS-LLVKDONJSA-N 447.448 0.687 30 20 ICED C[C@]1(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)NC(=O)NC1=O 434919514 AETOUPIVQFXMOL-LJQANCHMSA-N 433.490 0.160 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441849006 PRAUWNHJETXCMF-UHFFFAOYSA-N 439.394 0.713 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1 444510002 BBLJNUQAEHLMRH-UHFFFAOYSA-N 432.843 1.512 30 20 ICED CCOC(=O)c1c(NC(=O)Nc2cc(C)n(CC(=O)NC)n2)c(C#N)cn1CCOC 446347543 AKBISVSZZLNQTL-UHFFFAOYSA-N 431.453 1.078 30 20 ICED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460947314 QWMJUCFJJWUNMZ-INIZCTEOSA-N 435.554 0.911 30 20 ICED CN1CCN(C)[C@@H](CNc2cc(C#N)c([N+](=O)[O-])c(NC[C@H]3CN(C)CCN3C)c2)C1 462835878 SJAQCZRCYGPQJI-OALUTQOASA-N 430.557 0.782 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 464861832 FIQCCWQFTXDZJZ-CQSZACIVSA-N 437.460 0.978 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 472401980 AGWPIJBISCBXIG-ZWKOTPCHSA-N 428.489 0.759 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)c1C#N 472885375 URCWFTTZUWXGJI-UHFFFAOYSA-N 433.476 0.527 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 480520038 DIXIDFKFPCJABK-INIZCTEOSA-N 442.545 0.688 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 486073603 MRTQVIIOSVFWSC-FUHIMQAGSA-N 433.578 0.709 30 20 ICED CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s[nH]1 488647034 PFNLTQYIGXEGFK-AWEZNQCLSA-N 426.502 0.985 30 20 ICED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 488796192 GFUPKONYQVGAKT-UHFFFAOYSA-N 427.486 0.749 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C2)nc1 489028496 VYXNMNCFIYLTJR-QGZVFWFLSA-N 427.486 0.877 30 20 ICED Cn1cnnc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502499338 DAVJQZBHVAPJKI-KRWDZBQOSA-N 443.533 0.357 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 507395503 AIHNYHKDACKODL-MRXNPFEDSA-N 439.476 0.482 30 20 ICED Cc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 511435276 BPRKYJNUKZQETI-UHFFFAOYSA-N 438.535 0.611 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCC(=O)OC 512762709 URUBHFAINOOPHP-UHFFFAOYSA-N 431.518 0.109 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 514411954 KUTDXEKMNPFLMX-GOSISDBHSA-N 446.552 0.077 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514965193 HUNQQZGEBAOFTH-LJQANCHMSA-N 441.532 0.345 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 516131458 JWCRQNVSPJNTNJ-INIZCTEOSA-N 426.454 0.969 30 20 ICED COC(=O)[C@H]1C[C@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521154204 RRKXCTKSFHAXLM-FUHWJXTLSA-N 435.502 0.748 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2)c1=O 522284499 VPPFKVFKSSHGPN-UHFFFAOYSA-N 440.569 0.613 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 531940848 VPCZDVRHUMBQFA-YUNKPMOVSA-N 441.469 0.918 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)c(F)c1 554152094 WGFCQSNALWHFBX-HZPDHXFCSA-N 427.480 0.909 30 20 ICED N#CC1(c2ccccn2)CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 554565376 UAVKGJCOKWGGJF-UHFFFAOYSA-N 427.530 0.945 30 20 ICED CN(C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 561730296 ZIJVFTLGHKUXNM-RTBURBONSA-N 447.561 0.972 30 20 ICED CN1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 569747292 NAHITYIOYZEGCZ-KRWDZBQOSA-N 436.520 0.706 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 587980721 KTTCPRMUNMQIAH-SFHVURJKSA-N 429.521 0.600 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1 588124885 NJSOLPQKWLSTTA-UHFFFAOYSA-N 429.496 0.785 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 588364210 CSCYWKPGKVYKOU-GFCCVEGCSA-N 429.296 0.799 30 20 ICED CN(CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCS(=O)(=O)C1 603609650 OZMMUNFRAWUIAV-INIZCTEOSA-N 448.524 0.633 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccc(S(N)(=O)=O)cc43)CC2)o1 610391183 BCAJOKSMVTWKPM-UHFFFAOYSA-N 430.490 0.213 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 612231293 FIAZJDBUUNGOIC-SZNDQCEHSA-N 443.460 0.359 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 726889417 REODNVCBMDASRE-ZIAGYGMSSA-N 438.531 0.878 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 728572815 DWWONOZXCSFCFV-UHFFFAOYSA-N 432.546 0.719 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 729281620 KHPSTTZPEVCOOZ-GOSISDBHSA-N 426.517 0.722 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2)c1=O 729675235 WENLZVDCVSBXPP-UHFFFAOYSA-N 445.566 0.516 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)NCC 731647256 RHPFGQMBGVXJHJ-CQSZACIVSA-N 430.552 0.339 30 20 ICED CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 733671946 ZYICYAHYNXKUBQ-YUCJCZDXSA-N 435.550 0.848 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 740518779 MYKUCWKWBRJNEW-HUUCEWRRSA-N 439.559 0.906 30 20 ICED CCS(=O)(=O)NCCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 747978896 UCTXPHDTUJAHCX-LTGZKZEYSA-N 445.567 0.950 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 753752565 LDGAZSGOIMARDU-OCCSQVGLSA-N 442.567 0.252 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)[C@H](C#N)C1 755551185 XCQLFBXOLJCAFJ-TZMCWYRMSA-N 436.490 0.904 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766052191 NDZKDSBMXALMCN-UHFFFAOYSA-N 439.409 0.165 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 767427877 RLTAFVLMYDZKRV-GXPWMBGSSA-N 427.457 0.980 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(C)oc2C)c1=O 767954199 ZEWIRWXYLNXNAI-UHFFFAOYSA-N 449.554 0.290 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCC1 771076184 FQVGCHYFTKTAGF-UHFFFAOYSA-N 433.533 0.522 30 20 ICED C#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)[C@H]1CCCO1 775323295 IYNLOPNCYBPVMI-PKOBYXMFSA-N 445.497 0.872 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)OCC1(C#N)CC1)c(=O)n2Cc1ccccc1 775831749 PMHPHABVFBPXQC-UHFFFAOYSA-N 437.456 0.901 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776745169 XIARUPPRPNFRSF-GCJXERGCSA-N 448.545 0.982 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 785006801 TXVXFAOUYXLDPY-QPZCEUDHSA-N 449.533 0.598 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)o1 915367355 TYUKJOLBGMIBEW-UHFFFAOYSA-N 446.485 0.905 30 20 ICED C[C@@]1(c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)NC(=O)NC1=O 915650260 SOOOFKMXYWGQOT-FQEVSTJZSA-N 441.469 0.809 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 916664628 NVNUAXXUBWQEFM-UHFFFAOYSA-N 441.509 0.453 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916892875 RMCKSZLVFBJARV-AWEZNQCLSA-N 435.506 0.228 30 20 ICED CCOC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918265628 UKVDDLZHVJKRLT-JWGURIENSA-N 438.506 0.897 30 20 ICED CN(C)C(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 920203962 WLCRAXLJYJXSRO-CJLVFECKSA-N 437.522 0.423 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1=O 1116399745 JVGZECPGCFXVGH-OAHLLOKOSA-N 428.470 0.756 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1300845397 XNECGILZRBNGBQ-LBPRGKRZSA-N 427.303 0.433 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301969349 WEXTVFMRXURADT-GJZGRUSLSA-N 426.543 0.512 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1337108224 FUQYGFHYDMKYLS-CVEARBPZSA-N 433.490 0.303 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1360794021 KAFQLYSTAJTJJS-QFIPXVFZSA-N 437.504 0.767 30 20 ICED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)no1 1361070244 GOMBQDCXOMBGMW-CZUORRHYSA-N 434.526 0.410 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 1663337060 PFKZUFQPRGXGSS-GFCCVEGCSA-N 437.341 0.657 30 20 ICED CCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1696176726 MCJFIQHEUONAFH-CVEARBPZSA-N 432.506 0.751 30 20 ICED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1749839732 VDKJSGAVIPCJON-UHFFFAOYSA-N 435.492 0.964 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892779 LBOIHRSMXNCWNG-SZZBOLBSSA-N 431.367 0.634 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779053637 ALVKPDIQRDNLTI-IIBYNOLFSA-N 429.525 0.389 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779284207 OVNFYDFWBKIKAZ-FPTDNZKUSA-N 436.472 0.569 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1)C(F)(F)F 1779941746 QPSIBNODSIIWHM-KZULUSFZSA-N 441.410 0.822 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781205730 DTRKZIJYMWXLED-VGOFRKELSA-N 438.488 0.698 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3ccncc3=O)C2)cc1 1781480663 AXTIIADHORCLJF-HYBUGGRVSA-N 449.511 0.872 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810864 KGNSJKSRBRQUFS-FUOQNJDISA-N 433.574 0.770 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@]3(CN(C(=O)CC#N)CCO3)C1)C2 1782852117 TYUQDWXMJULTRN-VFNWGFHPSA-N 429.477 0.366 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CN(C(=O)OC(C)(C)C)C3)CCO2 1783055153 OSXDOUNBEFULSG-JOCHJYFZSA-N 443.504 0.748 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557601 IRTQSHUNYKEIDE-NRFANRHFSA-N 433.461 0.081 30 20 ICED CC[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 1783580665 UWJBYTZTWPOXIB-DOVXAFDCSA-N 438.525 0.410 30 20 ICED CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784021672 SGMWFOVDBOWDPH-CSHYSHRNSA-N 425.526 0.902 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)[C@H]2C1 1784966506 YFVKKUNYXNGJDN-YEWWUXTCSA-N 446.891 0.959 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)CCC1 1785173844 CHPYORWJYSVEOI-BZSNNMDCSA-N 425.489 0.485 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5ccnn5)[C@H]4C3)c2c1 1787126616 STMGWIALAOOMPM-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOC4=O)[C@H]3C2)c1 1788137364 JROCNXDMZZCJHJ-FHWLQOOXSA-N 426.473 0.994 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788658905 CFCLECQEWSYURZ-KIPUMGIDSA-N 447.435 0.605 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)[nH]4)[C@H]3C2)ccc1F 1788956396 PXTQLALLMXQFLW-YEWWUXTCSA-N 427.436 0.962 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)ncn4)C[C@@H]32)c1 1789256084 JQNUVJBSQHNACY-FNHZYXHNSA-N 437.456 0.970 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CCN1 1791343551 CDQPMFJBQWHBEY-ZFCVXGPHSA-N 436.509 0.021 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1)c1ccccc1 1792282893 DPHVPGDHHQCETK-YRPNKDGESA-N 426.517 0.832 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)cc1F 1792692143 OAIANNZFBYLIHL-YQYWCBKUSA-N 439.237 0.879 30 20 ICED 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 1793342698 ZVPSRBKIPYUJQL-JWVYWZTKSA-N 448.541 0.261 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793366220 IEXHZZDERKUDMH-RMYQPGKMSA-N 447.557 0.761 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1 1795320667 LIMLVRVEYVCMBM-OPMZPASUSA-N 430.526 0.772 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nnc(Br)n2c1 1795927127 ZYMJSERVXUKPDF-YWVIFJGQSA-N 447.293 0.999 30 20 ICED 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)C1 1797221274 MLDGURKNYQISMC-FKSLSLAPSA-N 449.548 0.871 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N(C)C(C)=O)C3)c1 1798576656 JDIAETAYBKQRHE-NTCOEUGSSA-N 428.489 0.637 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746990 ZFHNEJJRIIBIQD-JNNRSPCRSA-N 426.452 0.828 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)cc1 1800280660 BLIYJPKKGLERHN-RACNMONISA-N 449.573 1.000 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800633429 XJIDARMNHNSNQX-IYWMVGAKSA-N 428.533 0.461 30 20 ICED 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)C3(C#N)CC3)C4)[C@@H]2C1 1800718533 ZTFBPGVTMWZITC-TYTBLDAYSA-N 444.532 0.993 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992151 ZMAOTPGNVDKFMX-LAVAIGHBSA-N 438.488 0.454 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105166 XSFGWYMYSHATIY-JLUCKKNBSA-N 431.605 0.391 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802926223 QVFUVDNDHWLMIP-ZACQAIPSSA-N 448.520 0.868 30 20 ICED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)O 1810390992 ZHKQHVDCYVUFGK-CYHVDAGQSA-N 441.488 0.862 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2NC(=O)C3)[C@@H]1c1cccnc1 1812881214 WHFBTJWXBNRXCL-OPAMFIHVSA-N 432.436 0.984 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](C)S)[C@@H]2c2cccnc2)CC1 1813038841 WAJAXEGJZJQXOE-ZTNFWEORSA-N 433.578 0.570 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1814055358 QSGUVHLPFUUDQX-RDJZCZTQSA-N 427.461 0.324 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324023 RLLQMVOCXNDMCA-QWRGUYRKSA-N 443.489 0.691 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819368592 WGTVEEYGFACSLN-IRXDYDNUSA-N 437.541 0.262 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1820970408 GQGMDOJSCLSEMJ-ALKREAHSSA-N 436.513 0.853 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1822024219 METOTVGYBGWZOR-TZMCWYRMSA-N 438.469 0.839 30 20 ICED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822386840 QPUWXUQRDMGWLA-KRWDZBQOSA-N 435.550 0.936 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612765 XWBFZDODAFJGNK-KAJOXZPYSA-N 437.522 0.307 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899767 GDDJKKKRERXOQB-LSPPGFKNSA-N 446.552 0.630 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)c3N)C2)C1 1831392491 DXDNUAGKFVDXDQ-ZHRRBRCNSA-N 433.480 0.825 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)c(C#N)c1 1831766995 SWKYWANJGLNZDW-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752640 WUMFFTPJEIRGLN-GOSISDBHSA-N 446.592 0.781 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1836279382 BMCHNKJQFFKQJE-FFCJBUTOSA-N 429.477 0.754 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836808503 LTOKBJNLLWYXHJ-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nc4sccn34)CCO2)C1 1837140645 BPMXNTGBXVMVFN-IIBYNOLFSA-N 446.529 0.813 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)cc(C(N)=O)cc1C)CCO2 1837438140 SHGIHNATSOVVPU-QHCPKHFHSA-N 427.501 0.886 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837526789 GOBMRXMSEVQBSE-JMQQFMRHSA-N 449.460 0.239 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837561660 ZSEBEFULKXKKKX-WNBNNUDTSA-N 447.879 0.912 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838217090 VHJGRJQSOGWIGQ-OAQYLSRUSA-N 432.477 0.364 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1839175260 YHCQXTPVKREOGT-NRFANRHFSA-N 435.477 0.816 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223421 VKGUVKLSSITIAI-KXBFYZLASA-N 445.538 0.150 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839238880 FEDNROLAFXRRRW-VGSWGCGISA-N 438.488 0.675 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273560 IZQLBQIXZLTWJJ-NRFANRHFSA-N 429.429 0.784 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839391037 XEPDFSBJEIRAFG-YVCVADBVSA-N 437.518 0.531 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4cccc(F)c34)CCO2)C1 1839598044 OKDVLEJWFSTBJU-IVZQSRNASA-N 444.463 0.810 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cc3ccncc3)CCO2)C1 1839656004 AQYPQPHHVWVHEB-PWHSHALESA-N 429.517 0.755 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839877849 KAQWLJKNBLINLC-KQPGBBHGSA-N 449.529 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)C1 1840039910 DHXXYUSVRLXRGR-NRFANRHFSA-N 445.859 0.979 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cc1 1840646740 QIMAPTHBTPLLPB-RUZDIDTESA-N 447.491 0.907 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)Cn1cnc3cc(Br)ccc3c1=O)C2 1845957930 CFWVVSXHNUJGIU-UHFFFAOYSA-N 429.274 0.996 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1846415829 RZMGGAAQVBZQID-MJGOQNOKSA-N 426.517 0.685 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCO1 409493535 VZFJCOBYGUMPMR-PMACEKPBSA-N 447.561 0.264 30 20 ICED CCN(CCC#N)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410154433 NQAMLGFLZOORKI-IBGZPJMESA-N 447.561 0.848 30 20 ICED COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427786253 GKNZEDVSSCUOMH-UHFFFAOYSA-N 438.487 0.904 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 428786861 XJBYMBKAVNLWHA-GOSISDBHSA-N 443.529 0.803 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 430368080 DOGUDIRXEIJOSU-OALUTQOASA-N 435.546 0.758 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 460616979 DSCHKJLYHNQOOH-MRXNPFEDSA-N 429.440 1.308 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 460721838 WVQQXYFNSHHXQT-CYBMUJFWSA-N 435.410 1.481 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1 467061122 BXPZZOUIBDHMAN-HNNXBMFYSA-N 427.465 0.802 30 20 ICED C=CCc1cc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc(OC)c1OC 468962962 NMHTWLCATOGGEB-UHFFFAOYSA-N 437.474 0.719 30 20 ICED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 469088788 SYRQAHHZWGSZPA-ZDUSSCGKSA-N 438.488 0.932 30 20 ICED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 471226712 FMQWBDUJGSCTKE-IBGZPJMESA-N 432.546 0.623 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccon2)c1=O 478853440 XMLBJHIIIQDDPD-AWEZNQCLSA-N 439.497 0.661 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 480523665 GNKJGWFEABVQGV-GDBMZVCRSA-N 442.563 0.545 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 485074027 QAIWOAUNFDYBBT-YWZLYKJASA-N 437.518 0.838 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1=O 487264912 CCIBDNUNWVQDDD-CYBMUJFWSA-N 449.261 0.647 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3cscn3)c2=O)cn1 488973533 AJRGGLPUZHVWIS-GFCCVEGCSA-N 440.506 0.868 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 490984478 FECBQZUTHSWJGE-PXNSSMCTSA-N 435.475 0.866 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 491284703 QRJYBYKPIOSZTC-UHFFFAOYSA-N 430.856 0.734 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 500029173 ZONANIRHEWAXRZ-GOSISDBHSA-N 436.534 0.365 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4ccnn4CCO)CC3)CC2)o1 507869299 WQONDNJTAUCXFK-UHFFFAOYSA-N 427.509 0.572 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cn1 508449616 LOSVCEFUCIOYOQ-MRXNPFEDSA-N 437.847 0.944 30 20 ICED COCCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 509502826 YVOQTRRUVLEZTB-UHFFFAOYSA-N 442.476 0.245 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)O1 513025762 JYCYIKKOWRJCDB-NBMRYCAZSA-N 435.502 0.889 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c2ccccc2O1 513042462 RHGWPHOQPDCVIA-GHTZIAJQSA-N 447.495 0.763 30 20 ICED C[C@H]1[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 532576648 BNTIDJYBEUQWIC-CABCVRRESA-N 447.517 0.962 30 20 ICED Cc1ccc(NC(=O)CN(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N(C)C 533445660 AQOQVDKCLUGDJO-UHFFFAOYSA-N 437.566 0.732 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)co1 533756270 PZCAYYWONFCWLC-CYBMUJFWSA-N 427.446 0.953 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 549291945 NJTPUQXVVCXYNB-HNNXBMFYSA-N 447.565 0.890 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C 551430106 RKJDKZGJAYHCTE-HNNXBMFYSA-N 443.485 0.788 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1NC(C)=O 557323374 GIOKUQUYHSLORF-UHFFFAOYSA-N 436.472 0.885 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1 570880942 WNJQTHCDKFUIGH-UHFFFAOYSA-N 429.458 0.279 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 578060845 CLRLTYYPIWHIHP-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C[C@@H](NC(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 582761962 ZDADCMSEGSESSH-HZPDHXFCSA-N 442.545 0.989 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cc1 590998637 FVPIPMPYIGNSBL-UHFFFAOYSA-N 438.553 0.505 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 603560221 XCICOAWWDJLSFO-HUUCEWRRSA-N 441.579 0.920 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 604270387 NXIHNKPXULSUPX-UHFFFAOYSA-N 442.516 0.699 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CC(N)=O 608911709 IUSLBYYTRGFWJN-UHFFFAOYSA-N 428.514 0.213 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)COc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 617121117 CLYXBMXCJOSYCD-GOSISDBHSA-N 428.470 0.502 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC1 728530746 QZSMYSCOLLKXPM-UHFFFAOYSA-N 445.321 0.845 30 20 ICED C[C@@H](CC(=O)N1CCN(CCN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742495615 GHKMEQDVVXOZOH-KRWDZBQOSA-N 433.578 0.744 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C(C)(C)NS(C)(=O)=O 751693911 ZJKVXVYUAPEZOO-UHFFFAOYSA-N 428.511 0.823 30 20 ICED CCc1c(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754524520 GJERHNPFZWWWEC-UHFFFAOYSA-N 427.442 0.185 30 20 ICED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)CCc2c(C)nn(CCC#N)c2C)s1 759512570 WLQKCZGMWRKMGG-UHFFFAOYSA-N 425.496 0.661 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 764032305 IHTMWQSXXZSMHM-AWEZNQCLSA-N 438.487 0.835 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2sccc2OC)c1=O 765145483 RKJBKECTZCFIGO-LBPRGKRZSA-N 437.543 0.280 30 20 ICED CC(C)n1cnc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 767499376 HDDWARDWFSDBSI-LBPRGKRZSA-N 439.519 0.786 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnnn1CC1CCOCC1 768777812 IQMJVFCSKRLCFC-CYBMUJFWSA-N 434.478 0.382 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1cc[nH]n1 770836643 ZFNWDBAFWXCYFT-UHFFFAOYSA-N 441.448 0.779 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 779571071 XLUHFLWKXNUGQX-SHQVNNEXSA-N 427.505 0.791 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 783012280 SUXKQSYNXCMDJA-UHFFFAOYSA-N 435.955 0.957 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCc3ccccn3)c2=O)cn1 794611626 CSYIKEDTJSULHC-KRWDZBQOSA-N 449.536 0.780 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOC 799933942 HCHSVJYIGCTYEO-UHFFFAOYSA-N 449.504 0.360 30 20 ICED CN(CC(=O)N1CCN(c2ccc(C#N)nc2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 801286055 KSWCAZWMXUITSB-UHFFFAOYSA-N 444.473 0.831 30 20 ICED CSCC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 807906903 YGMJIOQWWSPXNZ-OCCSQVGLSA-N 426.564 0.830 30 20 ICED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCCCC1 914815540 DJWHRSGPJLSJLL-UHFFFAOYSA-N 425.463 0.800 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 920399255 ORPKZSUFHUQWJI-UHFFFAOYSA-N 445.407 0.203 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116666242 FYXWNZLNTPRVIT-KZNAEPCWSA-N 430.461 0.700 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1316070522 WJRWMSKRBKBZNG-UHFFFAOYSA-N 441.536 0.690 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2F)N(CCN2CCNC(=O)C2)C1=O 1337486415 HFKRPLCWELPBSL-ZDUSSCGKSA-N 425.461 0.464 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1508632028 MOIUABIZIYTDLM-CABCVRRESA-N 431.497 0.825 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1541992217 YXBAYRANHNKYME-MRXNPFEDSA-N 449.581 0.926 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1589394614 KFLCJWLGSIOINF-GFCCVEGCSA-N 427.303 0.433 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1612502862 NMIKEIZJSCZQQJ-MRXNPFEDSA-N 428.497 0.151 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1616264064 UKEFZDSDJOMFSM-LAUBAEHRSA-N 428.493 0.889 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1618502209 YPDOPLKIEGNKHA-SCLBCKFNSA-N 425.559 0.791 30 20 ICED CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620163512 ZVIJBSYWUFNIOD-SFHVURJKSA-N 429.550 0.875 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1 1629991516 MFUOMRATCASYKU-ZOCIIQOWSA-N 426.498 0.953 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COc2ccccc21 1706889770 IPBXLLQWOQOVQT-ZNMIVQPWSA-N 432.506 0.793 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCOCC1 1707912109 UPIIEEWAZOJIGB-DLBZAZTESA-N 425.541 0.932 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1731184022 YHEKRDDNFKBTEW-KXBFYZLASA-N 432.481 0.769 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1746436630 SXCLOUBGIQUCGQ-KZNAEPCWSA-N 437.614 0.945 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594228 IHQOSDKBPGZGKV-UGYDVAPCSA-N 442.476 0.702 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1)C(=O)O 1779000798 ZLLSKTHWYKUPPX-LAUBAEHRSA-N 437.613 0.930 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783531180 HEDIGHJCLRMCLT-GRMGMVGISA-N 443.544 0.523 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1783536921 KCPRDJJNDWRIQF-ORQYLMBXSA-N 447.532 0.864 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Br)nc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c3ncc[nH]3)[C@H]2C1 1785783926 LJDWBUIYXWQNSZ-QAETUUGQSA-N 445.520 0.920 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787380876 WXJLQKLKHBMRBK-FPXQBCRKSA-N 429.473 0.484 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1788576381 RXOBMOGARCOCHT-SSSVDGOBSA-N 434.533 0.883 30 20 ICED COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn1 1788657643 GGLITICESWWSRX-CJJKCXPTSA-N 447.492 0.608 30 20 ICED C#CC(=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 1789774223 PJKYGINNKQLUMV-JUPXILGHSA-N 433.505 0.378 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(=C/c3ccco3)NC(C)=O)[C@H]2C1 1790178014 BUIDLVZDUMKYAN-YFOQYLINSA-N 443.500 0.775 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1790788833 GKOIBLDRIPEAHC-AQBJMCTPSA-N 449.548 0.607 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]3C2)N(C(=O)OC(C)(C)C)C1 1791055513 FADQIRDOEOVQHZ-FPSMNIFISA-N 437.537 0.913 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)ccc1F 1794086416 KYERKOJHPUBYPP-MUJYYYPQSA-N 427.436 0.430 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c1 1794090582 BAAXUCXBEIPYQK-REPLKXPHSA-N 430.530 0.540 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n(C)n1 1794343914 KQTIXZBUHVCCJE-BNAVPPKKSA-N 435.481 0.161 30 20 ICED 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)CC#N 1795078997 SRUYJRMKKWWDSL-ONMISFSYSA-N 436.509 0.514 30 20 ICED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(C(F)F)n1 1795598533 WEWGKRNSMFMMTM-AGGWBTHJSA-N 438.479 0.843 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1 1797626022 JZWNGBKFXGTIAV-IVWMJMPLSA-N 427.440 0.234 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)C2 1799306533 IVVYVCFFMGVEJL-KWXDATOUSA-N 448.516 0.841 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323061 PTLZTYOXZJYODA-XTGKAWNFSA-N 430.480 0.744 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1799397658 UGOOUVBRYHYRGH-RMYQPGKMSA-N 443.548 0.774 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)cc1 1800280663 BLIYJPKKGLERHN-WGVRVLLMSA-N 449.573 1.000 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807145897 RPSDDYWADRJBKQ-IEBWSBKVSA-N 440.552 0.209 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389245 YBEBNIKTYCSTEN-KYJSFNMBSA-N 432.477 0.222 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815248453 FTVKHIPKUDRCRA-WFASDCNBSA-N 425.511 0.899 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1820896359 ZPSKIKJZWCSFAB-UZLBHIALSA-N 449.508 0.562 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)cc1 1822163307 PBFIWNLWRODFTQ-KGLIPLIRSA-N 426.502 0.833 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612764 XWBFZDODAFJGNK-HBRIXXQFSA-N 437.522 0.307 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824967518 QKLDQFWBGRYHQR-KRWDZBQOSA-N 446.552 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C)n3)C2)C1 1829765242 OKECBKGCHQXDFE-IYZQMXKPSA-N 442.516 0.627 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(OC)OC)CCO3)c1 1831035478 NBVBVLLJQHLLCS-NRFANRHFSA-N 433.461 0.256 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1)C(=O)C(=O)O 1831165064 JXCWFPILMAWSMU-MMTNMYCKSA-N 449.552 0.621 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831407437 ZLTPCIWMAIRLIQ-OAQYLSRUSA-N 435.477 0.546 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831496396 VXHQOCARJKDNFB-OXQOHEQNSA-N 438.550 0.690 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831692001 AKHAPSPKZSUSBZ-JBMWNJKUSA-N 448.520 0.317 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832043852 DPXXRWTXFHDPFS-WZONZLPQSA-N 447.532 0.866 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1 1832191055 RKCSSSNKPZZXKS-YVEFUNNKSA-N 426.407 0.916 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419960 WDYCGBQRZAYKQC-PGRDOPGGSA-N 437.537 0.437 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2NC1=O 1834763763 WZUBQKLPQOUVOV-LHSJRXKWSA-N 428.445 0.390 30 20 ICED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834970330 JQFHIKAAKIBLEF-SFHVURJKSA-N 442.394 0.688 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835111051 AFYLZDYYYPQYNC-KSSFIOAISA-N 433.578 0.774 30 20 ICED CC(C)Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(C)n1 1835341880 COHJNLDZBXBUFT-QFIPXVFZSA-N 429.521 0.992 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835802628 ZXAIHMPYNDWWKB-QGZVFWFLSA-N 441.532 0.630 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835844549 JMDTTZCHVTWQCL-HXUWFJFHSA-N 444.536 0.223 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836844177 HASREBHXMGQXRU-OXJNMPFZSA-N 433.534 0.754 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1837397809 VUGJCEPVCHEWRM-AVRDEDQJSA-N 434.537 0.855 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564256 DTCHCMUCLHMAEH-CSQHKEGFSA-N 448.520 0.460 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnn5n4)CCO3)C2)c1 1838426757 DFAKAWXEDXNNIC-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)[S@@](=O)c1ccccc1 1839672419 JUNXCGFJYYRMGE-XHEIURJNSA-N 433.530 0.943 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1839886512 DWXVKJVQJHIXOF-KRWDZBQOSA-N 436.477 0.560 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840840332 LQSHGQQQPZXTMY-QFIPXVFZSA-N 441.463 0.890 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 438761559 QWPAASDNTTXIDQ-UHFFFAOYSA-N 435.550 0.637 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 440322631 FKNDZLUYSPLMDI-CYBMUJFWSA-N 430.490 0.810 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 442355062 VWFFHASEYNSGEV-UHFFFAOYSA-N 427.439 0.201 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCSC 443668760 VNMOSVNZCDSISI-UHFFFAOYSA-N 448.595 0.862 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC2)c1 463639084 NGWYYWLZKYSMEC-UHFFFAOYSA-N 447.499 0.172 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 481283658 ZWDKVSIBGDPVAY-MAUKXSAKSA-N 435.550 0.284 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)n1 487177268 CZDSXQWNMZLWOS-PMACEKPBSA-N 437.504 0.978 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1 487238800 CNOADZCYMVMFTA-MRXNPFEDSA-N 428.474 0.784 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)cn1C 503881379 BMAOXVQPDLQDQK-UHFFFAOYSA-N 443.938 0.949 30 20 ICED CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 508310425 YDGKITVNFUSBCC-UHFFFAOYSA-N 445.505 0.325 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](COC)(C(=O)OCC)C1 508473101 NAUBVDNMYCXGQB-RDTXWAMCSA-N 429.543 0.870 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508721834 AWGGRCDXLGGMNN-DLBZAZTESA-N 436.582 0.499 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c(Br)c1 512720708 OIQYSTZSFMQWEG-UHFFFAOYSA-N 448.342 0.880 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)C1=O 523494146 PPFXDEHQHHGENT-UHFFFAOYSA-N 436.490 0.987 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NC)s2)cc1 540311830 KZVGOIYPCHGSSK-UHFFFAOYSA-N 436.515 0.827 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)cc1 540382083 COZFNBZPENHFBQ-UHFFFAOYSA-N 434.435 0.956 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@H]1CCOC1 540697441 SEDXVOMWJHOQCJ-OAHLLOKOSA-N 440.525 0.464 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 549638680 MIABAWMPDYPQRB-CQSZACIVSA-N 448.553 0.285 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCc4ccccc4C3)CC2)c1C#N 557229974 UZMGSHLLJIDWEQ-KRWDZBQOSA-N 449.559 0.812 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 582149715 XXXQYABOOWGBOJ-CQSZACIVSA-N 441.506 0.098 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H](C)S1(=O)=O 582413304 LUSWCLCQHGLDBD-RYUDHWBXSA-N 435.893 1.370 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2=O)cc1 582568119 NJYJCYDEBDVBAM-IBGZPJMESA-N 448.483 0.635 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc(OC)c1OC 589159718 RATCRLZZMWRROT-UHFFFAOYSA-N 445.497 0.149 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)cn2)CC1 589421090 RBZMZYTYBNGLFP-UHFFFAOYSA-N 446.464 0.751 30 20 ICED CN1CCN(c2cc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)ccn2)CC1 604093851 OZXUPHPRVHHHCQ-UHFFFAOYSA-N 427.530 0.936 30 20 ICED CS(=O)(=O)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 680339836 PEAWTNZMIXYZFI-UHFFFAOYSA-N 448.522 0.657 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)ccc1F 742018636 IVFWFAUBBHGMPO-HNNXBMFYSA-N 435.481 0.949 30 20 ICED COc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Cl)c1OCC(N)=O 745985036 YWLAENJDMUJVNV-UHFFFAOYSA-N 429.930 0.343 30 20 ICED C#CCN1CCN(C(=O)CON=C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 749874897 ROYWBNFAJBNDEY-UHFFFAOYSA-N 448.545 0.630 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 753823639 XIFSPLSDQUSDQE-UHFFFAOYSA-N 430.417 0.616 30 20 ICED C[C@@H](CC(=O)N1CCN(c2nc(N)ns2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 758598236 ZABWNLJMPJXKDB-NSHDSACASA-N 435.535 0.286 30 20 ICED C#CC[C@]1(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 764479454 MHOYFOPAETZERU-FOIQADDNSA-N 441.550 0.541 30 20 ICED CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 767081490 PTJXNKFJHVFVQG-FOCLMDBBSA-N 428.511 0.832 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCOC)C(=O)C1 768880817 JDUCZZGJOWTERZ-MRXNPFEDSA-N 436.534 0.601 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)cc1 774601312 DPWLZZFYSWETCK-MRXNPFEDSA-N 431.474 0.731 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CCOC 776747569 DPEHNZFUKOYWRX-UHFFFAOYSA-N 439.896 0.614 30 20 ICED COc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc(OC)c1OCC(N)=O 779315512 YMKMNGUJEZVFHG-UHFFFAOYSA-N 425.463 0.711 30 20 ICED C#Cc1cccc(NC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 782991286 BVKZDFYDOQDVRD-UHFFFAOYSA-N 427.486 0.722 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1F 788850326 QINJKVVEWFGDSI-HNNXBMFYSA-N 445.538 0.930 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 789408412 KKVZKANFVRMMBT-INIZCTEOSA-N 437.456 0.266 30 20 ICED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 799001608 PPIKNGRNLCXFMR-GUNSETOZSA-N 449.558 0.571 30 20 ICED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 799077696 OAWCITJSOREZJU-HNNXBMFYSA-N 426.491 0.748 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 803577126 TUYDKQPBRZQAIO-UHFFFAOYSA-N 447.538 0.705 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)n1 808735594 SSGRCRVFQBWLNA-UHFFFAOYSA-N 440.435 0.997 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc[nH]n1 813784322 YWOJOUDRNXLUAY-AWEZNQCLSA-N 449.489 0.273 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856703532 AMDPEIMKOLSRCG-VLIAUNLRSA-N 447.517 0.767 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 914819208 NPOZWVRMEPXHRI-UKRRQHHQSA-N 433.490 0.385 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 916868499 QRESZYICJXNKHL-KRWDZBQOSA-N 437.518 0.881 30 20 ICED CNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 917002337 LSKZMSVJCMGQGU-HNNXBMFYSA-N 440.909 0.408 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O 1290865228 NCFPCDFSJUGSBJ-GDBMZVCRSA-N 445.553 0.387 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1313498666 UIGCRPGRCPMQIO-UHFFFAOYSA-N 432.506 0.490 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCS(=O)(=O)c3ccccc3)CC2)o1 1317835250 JWOULMDMCHJZOZ-UHFFFAOYSA-N 446.485 0.911 30 20 ICED CNS(=O)(=O)c1ccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1655469263 SKZPWGMLSQVTSO-UHFFFAOYSA-N 449.558 0.457 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)n1 1707822645 IXIYHZGDELTVDA-UHFFFAOYSA-N 447.565 0.819 30 20 ICED CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711517722 XKSBFVDLXHVECW-DOTOQJQBSA-N 445.549 0.808 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CCOC)CCO1 1748210833 KPMHFOZLRGCQIQ-LJQANCHMSA-N 441.536 0.736 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1750205874 VABNQQACFCRPSJ-UHFFFAOYSA-N 430.490 0.940 30 20 ICED Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1751866303 BNVQVZNLUZUQNM-HNNXBMFYSA-N 429.554 0.996 30 20 ICED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@H]1OC 1771342696 XKPZCELKLXUZBN-UEXGIBASSA-N 429.477 0.730 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063227 PKSAAXMJAZPGOQ-FQEVSTJZSA-N 433.534 0.722 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@H]2CNc3ccccc3O2)C1 1779306790 VUDXFEOQQQUTHA-XKDCRVNJSA-N 441.484 0.852 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1781270315 GZQNFAPPJMTSJS-NRFANRHFSA-N 427.461 0.682 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793057 FNULTDFEIJELKG-OAQYLSRUSA-N 429.546 0.680 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1782704992 DUGWAEKCIGKUBO-QRWLVFNGSA-N 426.466 0.887 30 20 ICED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)CC1 1783220459 ZIZDTORBRSJQNZ-NRFANRHFSA-N 437.456 0.831 30 20 ICED C#CC(=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 1783495500 BZVCIMCCCDTJKW-DBHNTLKXSA-N 433.505 0.474 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784439267 RMUULYBBYNNNFR-XSLAGTTESA-N 445.582 0.277 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643055 DOTHDXPPHLPIDE-FBWGCAEPSA-N 432.477 0.689 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1785572667 RIAKHMCLWREZCZ-AOMKIAJQSA-N 435.521 0.769 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1)C(C)(C)S 1786798030 MCOBWROJMXISPK-RZLSGREXSA-N 444.598 0.527 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)[C@H]2C1 1788510257 DSRTUQXZXUDGSU-OROIIQQLSA-N 433.549 0.816 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)[S@](=O)c1ccccc1 1790601035 SGLNMCITBYKLPK-RESQJCOASA-N 432.498 0.250 30 20 ICED O=C(CN1CCSCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1792466428 SDORTELCRIRANC-VLJRAPOPSA-N 440.566 0.154 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2 1792484744 MKMKNQRCEYGRFQ-MJWLUZIOSA-N 443.500 0.177 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1792529497 PVMZWLYHKWLGOY-KMWNMMNJSA-N 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CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831497218 AXEDFQUEHCVWJR-UQASEVPWSA-N 436.578 0.925 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832575730 IKBSXIFDZAXVOG-WZONZLPQSA-N 445.516 0.518 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833314757 LFNSEXWFZCHKGD-VFNWGFHPSA-N 447.492 0.051 30 20 ICED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833488374 CHMYBYRCJPNAKY-GOSISDBHSA-N 433.640 0.947 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c(O)n1 1835521077 XWJPUFNFQGPGMM-AOMKIAJQSA-N 432.521 0.571 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@H](C)CC)CCO2 1835599185 HFFPBRLCTCEKFT-YWMUFLPLSA-N 425.526 0.326 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1835714331 KXSZYZPOQMIDHJ-IBGZPJMESA-N 447.580 0.739 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835717347 DEGKDSDRVCOMKH-LJQANCHMSA-N 445.564 0.388 30 20 ICED CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(C)n1 1836335344 ZJANGBVKURKGRW-JOCHJYFZSA-N 429.521 0.992 30 20 ICED Cc1c[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1836543394 ZQPLYLDRPSYDHZ-CMEFWWCBSA-N 434.493 0.922 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1Cl 1837363760 JYDIXZUABWTBDS-FQEVSTJZSA-N 445.863 0.158 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525466 WTSYHZISTRGENI-DTKOAWRHSA-N 436.465 0.582 30 20 ICED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837526250 TYXUMZKKVXFBLB-JGYVSQDVSA-N 439.509 0.398 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1837564542 WSRCRDAAFQBNBN-FFCJBUTOSA-N 443.460 0.267 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1837655918 GHJONABDCKQHEF-QHCPKHFHSA-N 442.516 0.157 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1838276072 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CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164010 WDMLJIULUJXTFJ-YVCVADBVSA-N 437.518 0.531 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274392 FHQDOWGENDDNAW-IMQCZEGASA-N 448.560 0.693 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840281808 PSQVZJQMOKDMJK-VGOFRKELSA-N 442.553 0.805 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840796985 WIEJWHMRDNZQNR-VGOFRKELSA-N 435.521 0.936 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840798858 FPIWISZRVDNLNV-QHCPKHFHSA-N 442.516 0.813 30 20 ICED CO/C=C(\C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819802 FVIAOCHXKNXAHN-YAECTWJJSA-N 429.473 0.944 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840840361 OHFUYVZPXDSMCQ-GOSISDBHSA-N 428.411 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845188141 KGLNINJDSOXLJZ-UHFFFAOYSA-N 427.523 0.125 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846649227 YMPGZFXIXPVQNZ-CABCVRRESA-N 431.497 0.354 30 20 ICED CN(CC(=O)NCc1cccnc1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 30310015 LEXXKHXWGOBDMC-UHFFFAOYSA-N 429.502 0.727 30 20 ICED N#Cc1cccc(CS(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 439097442 YDJYVVMRQQYSJS-UHFFFAOYSA-N 440.469 0.839 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)C1=O 440275368 JMOPOIPAQDZKLZ-HNNXBMFYSA-N 437.474 0.061 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)nn1CCC#N 441639952 SYBRDIFXXNNACV-INIZCTEOSA-N 432.843 1.536 30 20 ICED COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 464854982 HMLKGJYBRHQVEJ-INIZCTEOSA-N 437.504 0.931 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 467657482 RKXIEDYFZKMSQI-UHFFFAOYSA-N 445.501 0.110 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 475826449 BGOQMJQUMCRXOB-UHFFFAOYSA-N 439.436 0.840 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 482796343 CXNBZRBPRYEGFR-CYBMUJFWSA-N 428.536 0.107 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1 488652348 GXIBSGBSJRFPQF-FOGNVHKLSA-N 431.522 0.997 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 492076473 ZFRIEDJXFBMEDW-HNNXBMFYSA-N 435.502 0.681 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 499020696 BCCBSIANYKSFGN-GFCCVEGCSA-N 429.296 0.799 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@@H]2C(N)=O)CC1 501540094 JOZUNAYMPDRHTK-CQSZACIVSA-N 430.490 0.358 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCOC1 505658942 GQUSIUBPRIGJKK-HNNXBMFYSA-N 429.546 0.408 30 20 ICED C=CCOc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 506175825 VINLHDOOIIELFC-UHFFFAOYSA-N 427.461 0.562 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 512394213 ZZTZARVQXURPHZ-MRXNPFEDSA-N 445.549 0.982 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 513071007 UJSQGRVMFLAFOL-IBGZPJMESA-N 435.484 0.986 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCc1ccccn1 523860021 RSNRRUOAZFRCIV-UHFFFAOYSA-N 438.509 0.715 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 525032468 QWWBAOHZPNGJDM-DLBZAZTESA-N 427.548 0.993 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533035447 YUGZQBCHGRVMHO-SCLBCKFNSA-N 425.511 0.128 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCN4[C@@H](C)CC[C@@H]4C)CC3)CC2)o1 533265994 OFTIYLWLELBGQY-OALUTQOASA-N 443.596 0.994 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 538104491 GWWISHVICYUYPH-IDPPAEMMSA-N 430.465 0.901 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550817052 HQLHACUBKKYSLP-ZJUUUORDSA-N 439.266 0.832 30 20 ICED Cc1nc2c(n1CCO)CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 556836504 RSNZFDNISOXXAW-INIZCTEOSA-N 431.518 0.350 30 20 ICED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 559006157 GJYBWLORFGGNQR-UHFFFAOYSA-N 430.517 0.108 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)c1C#N 567763964 WGNNAINDJFQXIR-UHFFFAOYSA-N 435.532 0.423 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654986 WMKNRYOJUUDWGD-FUHWJXTLSA-N 426.521 0.801 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 588823047 HWOJBDWWHYXOAR-HXUWFJFHSA-N 435.532 0.721 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(Cc2ccccc2)CC1 732442142 KEYOOVPUJKTOJU-MRCUWXFGSA-N 426.521 0.630 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 741734025 VXGSZHSTJWOHJP-UHFFFAOYSA-N 434.499 0.223 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746572675 WHOUPNFORVQMAP-UHFFFAOYSA-N 431.470 0.644 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 748646458 WICMJULGNKIISA-GFCCVEGCSA-N 432.527 0.144 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 749705189 PUFOATSFWNRLHG-KRWDZBQOSA-N 430.505 0.323 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 764031146 UYTNJISMZBBUAG-GFCCVEGCSA-N 426.476 0.738 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ncccc2C(F)(F)F)c1=O 765667504 XEALIGKLVGUQIQ-UHFFFAOYSA-N 428.417 0.395 30 20 ICED N#C[C@@H](C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 766873363 KMGMQMIOMUJJJI-HNNXBMFYSA-N 434.470 0.777 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1CC1CCOCC1 768775950 CROSZLGBCZBEOR-ZDUSSCGKSA-N 434.478 0.382 30 20 ICED C[C@H](CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 769214577 ZWWJYMXMZVKFFO-PNESKVBLSA-N 435.506 0.374 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 774950179 MBMKTENSYWCKKO-HZMVEIRTSA-N 426.514 0.801 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)c1 783464190 NPYWJJCBJHQBRZ-UHFFFAOYSA-N 440.481 0.220 30 20 ICED C#CCOCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 784768113 KPAWYQKICNLLRS-OAHLLOKOSA-N 445.335 0.748 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 793819031 GANBQRTUUPSDRB-LRDNONRASA-N 449.508 0.477 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 799284364 DUJMUTQVZHPXAC-HNNXBMFYSA-N 438.550 0.612 30 20 ICED N#Cc1ccc(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)cn1 808062539 QUWWNKBBXGQROS-UHFFFAOYSA-N 426.502 0.545 30 20 ICED C#CC[C@]1(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCCN1C(=O)OC(C)(C)C 808598660 UELPIGACESJUFB-OAQYLSRUSA-N 448.476 0.185 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812280032 ZSJJYESVHFTLND-UHFFFAOYSA-N 439.513 0.726 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 915785717 OOAQXRODXMZLPZ-UHFFFAOYSA-N 428.474 0.660 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227389 PALSVBLBGYKEII-CYBMUJFWSA-N 442.490 0.572 30 20 ICED C=CCn1nnn(CN2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)c1=S 919938115 UIEWHUXMQCLLRK-UHFFFAOYSA-N 444.564 0.807 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1291189978 MQAJRIOPUZMPQJ-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CC1 1360788523 VRGOUQKEYREENW-UHFFFAOYSA-N 429.525 0.893 30 20 ICED CN(C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1503401066 VVLPSSNQMQMWFC-RTBURBONSA-N 439.520 0.947 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1516972881 NJFFOJDIJAGZHR-UHFFFAOYSA-N 448.487 0.473 30 20 ICED COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602197 ZCPYWVDHDGYYQQ-SJORKVTESA-N 440.508 0.484 30 20 ICED COc1ncc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1C#N 1674317738 MOJBDBRRWHAXSU-OKILXGFUSA-N 438.510 0.465 30 20 ICED CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1680205940 QPFXJTNVRUGUOH-OALUTQOASA-N 440.504 0.799 30 20 ICED Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1684721604 CCIVINOFOCVMPG-GOSISDBHSA-N 443.552 0.872 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690328374 KLIDOPIQNJNCRQ-UONOGXRCSA-N 429.934 0.743 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1698304204 MBVBWNLICDEITK-INIZCTEOSA-N 437.547 0.875 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1751238714 VDPQPTPVNVGWPJ-PBHICJAKSA-N 437.570 0.491 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)O)CC2)c1C#N 1762400065 KSOWBGHCWIXQPM-HNNXBMFYSA-N 427.513 0.240 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778623070 FJAHRWTYNVEBFO-HZQHCPKGSA-N 429.502 0.698 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779110044 ZDPNMOHYNMRHJG-ACIVSAMGSA-N 439.509 0.935 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@H]2CNc3ccccc3O2)C1 1779306792 VUDXFEOQQQUTHA-ZDWFVDTJSA-N 441.484 0.852 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779419586 CBIIZJXYSYVKAN-IADDMXAUSA-N 438.525 0.541 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1781269488 WFTKTWZXKQMWHS-OAQYLSRUSA-N 427.461 0.911 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781655281 YFZWLOVHAJEQTQ-ZGPJWRFFSA-N 442.578 0.651 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568121 PNFIBKGXDOXZMR-NRFANRHFSA-N 443.483 0.594 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567074 FJUGWCSQKIYSRL-YCRPNKLZSA-N 435.477 0.304 30 20 ICED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]3C2)c(=O)nc1O 1784540600 VKOPCHKFPNMUGM-JKQORVJESA-N 438.550 0.191 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1785020152 LPACHLXJRZCSAO-JKQORVJESA-N 443.566 0.728 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)c1 1785084308 RKIRVQDWRBNWMM-OYHNWAKOSA-N 442.472 0.300 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1785109555 UCUUOROKYDBZCT-YLNCNTMDSA-N 440.500 0.947 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)C(F)(F)F 1785546550 GJMPSLVZIMOKIT-OAHLLOKOSA-N 437.465 0.795 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1785574729 PYVZMMQEZOJRBZ-SPLOXXLWSA-N 447.492 0.475 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637009 DYACHDORAPIJQC-TUFLPTIASA-N 447.576 0.970 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n[nH]1 1788691807 PGRJYAFOZNPUSQ-WERRIATBSA-N 433.509 0.769 30 20 ICED Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077689 REQGNJXICWESGC-BPUTZDHNSA-N 428.420 0.463 30 20 ICED CCOc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1OC 1791151890 XWWMUSWMNDYWAK-ZWOKBUDYSA-N 444.484 0.704 30 20 ICED 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)C#N 1792633198 GMJUUOXJVIXPTC-FZKCQIBNSA-N 438.525 0.401 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CC)N(C(=O)OC(C)(C)C)C1 1792865927 FXQJQTAZDWFCHV-RZFLPCETSA-N 437.537 0.913 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792888956 XRSIDYZODZGJCO-FZKCQIBNSA-N 436.509 0.155 30 20 ICED O=C(Cc1cnc2ccccn12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1792932605 LIOHMIISGYHQDL-PVGKCDGLSA-N 438.532 0.938 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)C2 1793345891 UKMRAHZSOVURJD-WLZSEIJESA-N 445.491 0.631 30 20 ICED 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)N(C2CCCC2)C1 1793777461 TWQBYHLAIILBFN-DNMVWIPKSA-N 447.576 0.940 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)N1C[C@H]2C[C@H]2C1 1797636144 WDYRBRAMKZMABZ-AQXOQHEOSA-N 429.561 0.615 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797640125 QJIMZUOHVMJCMD-VGZCRSJVSA-N 429.473 0.902 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797889954 JRQGETOHXKCSOV-WXHRBMGYSA-N 435.546 0.996 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1800546941 KAMDGQWJEBUURE-YWVIFJGQSA-N 437.447 0.431 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1800984167 KQUBWUUKCHCRIR-AFIMGQEJSA-N 426.560 0.758 30 20 ICED CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)OCC 1801146276 UTFRZMBAAWOIOA-ONQRDLJISA-N 441.525 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804118218 MJDSUYWUHWEFCQ-OXFYSEKESA-N 425.489 0.734 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804353585 KPQMDONMORIBNN-QWFCFKBJSA-N 446.467 0.871 30 20 ICED CC(=O)N[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)C 1812873551 MGAAKNSYMPDPFF-FFZOFVMBSA-N 428.489 0.726 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)c(C)n2n1 1812877564 NHRHJXXJKDGRPT-IIBYNOLFSA-N 447.455 0.544 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1814986208 ZZQGFSMZWKYCTA-GFCCVEGCSA-N 444.517 0.262 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1815205920 SDSJGXWDHVADER-GJZGRUSLSA-N 432.481 0.983 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2(C#N)CC2)CC3)CC1 1818893888 PJYFNKCECGKZOR-AWEZNQCLSA-N 430.534 0.523 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1 1820307744 FZMCWXWJRYFZIO-YOEHRIQHSA-N 429.437 0.980 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCn2cncn2)n[nH]1 1822679730 SRWNCPKCQXLXNT-MWWKQMNYSA-N 426.481 0.942 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825253764 BCMNXUPKSGOEAP-NHYWBVRUSA-N 430.477 0.917 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCN(C)CC3)cc1)CCO2 1829696554 FHGPEVLYXRZGQT-HSZRJFAPSA-N 426.517 0.142 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1829768772 GOZQUDASRJSZAL-LXHZQTKUSA-N 445.520 0.462 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831201789 XPYVZJLSMSZWHI-XMHVBLFMSA-N 448.520 0.461 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207388 HKSQKDUDQRAWMQ-JPYJTQIMSA-N 426.517 0.861 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1831391392 AIGNXTJEKOFLDB-HJPURHCSSA-N 441.484 0.290 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1831411574 YLOMQWZTSZBEBR-GCJKJVERSA-N 447.536 0.716 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831446196 COOCNHMKPRGGHA-NRFANRHFSA-N 447.513 0.534 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831487303 MUMWJEIHYLLZHV-SJLPKXTDSA-N 430.958 0.947 30 20 ICED COCCOCCOCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831674000 RZIUPDMBVYAERH-LJQANCHMSA-N 438.521 0.764 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833775497 YUBNEZDPHDLEEX-KRIYTASASA-N 438.506 0.742 30 20 ICED Cn1cc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cn1 1834714664 HBIIYFYVAZLEEW-UHFFFAOYSA-N 429.569 0.887 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834733769 GXXDJSGBADFXMZ-WMZOPIPTSA-N 427.615 0.105 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1 1835345507 NJLVAZUQDGNVBX-OAQYLSRUSA-N 436.509 0.660 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836188298 FKNRDDSYZHJPKQ-UHFFFAOYSA-N 446.552 0.634 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836189125 ZZDPBNCLLNXZRP-UHFFFAOYSA-N 448.520 0.862 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1837038268 CCLOPMKPMUUZMX-IBGZPJMESA-N 447.289 0.800 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838448814 MLEBERNIAAVQHI-KSEXMQBYSA-N 442.516 0.432 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3C)C2)C1 1839173333 KNHZGRDNNCYMIC-QFIPXVFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652230 SUFNWPCGCGRDCI-IIBYNOLFSA-N 449.508 0.372 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)C2)C1 1839811746 MHFRXIOAJRAWDJ-HYFFOGBASA-N 435.521 0.722 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(O)n1 1840041067 OBTYPHAHVKAKRZ-JOCHJYFZSA-N 443.456 0.064 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1840162545 ZTGCQTBQSAPEMH-YPENRWOSSA-N 449.529 0.794 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840294295 APEHYAGZXIYTSV-NZQKXSOJSA-N 434.581 0.272 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840842649 SAKRXFAQDKIMKG-DEOSSOPVSA-N 439.512 0.902 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1841746380 IABMOAYKTYAQOR-GJZGRUSLSA-N 437.541 0.252 30 20 ICED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)c1ccccc1 1843234998 LQTDUGIMHKRWOD-KRWDZBQOSA-N 445.483 0.827 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1845253126 QMIRRBKIJOENKN-GJZGRUSLSA-N 426.514 0.876 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)cc1 10451866 GWQFAFRUZAIHMY-UHFFFAOYSA-N 437.481 0.870 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCC1 430988830 KROSWRQSPXVRJQ-UHFFFAOYSA-N 440.481 0.905 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)C(N)=O)n2)c(Cl)c1 438719359 FVOVEMORSAYKDK-MRXNPFEDSA-N 436.859 1.549 30 20 ICED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 438793167 GCBNDTFFKLLBJH-GFCCVEGCSA-N 432.506 1.315 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3CCn4c3nc3ccccc34)no2)C1=O 445487573 FTRLXCVKFNKRFU-UHFFFAOYSA-N 435.400 0.485 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 446326464 ZBPPPIGSXVBGAM-CAMMJAKZSA-N 427.482 0.396 30 20 ICED N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 462291905 CKAHURDRYFINFM-KRWDZBQOSA-N 440.485 0.055 30 20 ICED COc1ccccc1N=c1nc(N)nc(CN2CCN(c3c(C#N)c(C)nn3C)CC2)[nH]1 472164647 UUYSTPXOZWDEAI-UHFFFAOYSA-N 434.508 0.864 30 20 ICED C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 473468088 CCMDOLAYXQUOPC-HNNXBMFYSA-N 427.484 0.964 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481430379 GKQDEXWZQMSKAL-INIZCTEOSA-N 435.550 0.238 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)C2=O)cc1 487172637 MRAVTTWAHXVQSB-MOPGFXCFSA-N 445.545 0.869 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2=O)cc1 488620400 BOEHEUKJKMZKAP-GOSISDBHSA-N 430.428 0.390 30 20 ICED C=CCn1c(SCCn2cnc3c2c(=O)n(C)c(=O)n3C)nnc1-c1cnccn1 488927867 YWQYIMZHLWXWIG-UHFFFAOYSA-N 425.478 0.461 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489250356 ADSCINAUHPFGJT-UHFFFAOYSA-N 435.452 0.893 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1 489563167 GWEJAKFEOHABTN-UHFFFAOYSA-N 447.542 0.905 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)n1 508327992 AGNRLZVRWQPIIN-QGZVFWFLSA-N 433.476 0.548 30 20 ICED C=CCSc1ccccc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533056955 KNFUZTVBSSVUND-IRXDYDNUSA-N 425.576 0.991 30 20 ICED COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 533903924 YVITYCZMKDWDDE-AWEZNQCLSA-N 433.486 0.921 30 20 ICED C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 539724280 ZVXQNYYHKZWKDJ-UHFFFAOYSA-N 426.495 0.530 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)C1=O 556483854 ZYZQDKDAHJAKNJ-NRFANRHFSA-N 439.428 0.827 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2)c(F)c1 557280341 RXOVEPOLFRLTLI-HNNXBMFYSA-N 439.451 0.119 30 20 ICED COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 557414685 MFPQVGUYXHHVPX-QGZVFWFLSA-N 448.483 0.532 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cnccc2C#N)CC1 557615778 CDOYFCXBQPEGIT-MRXNPFEDSA-N 442.545 0.470 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1 563501388 ARWPPGFQSCTXMO-LJQANCHMSA-N 437.500 0.246 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCCC(=O)OC 590990399 YMLNXDLVMSPSAP-UHFFFAOYSA-N 443.525 0.901 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Br)c1 603552769 IQACJSKRRQJANT-UHFFFAOYSA-N 444.314 0.644 30 20 ICED C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)C1 603868300 KXEYXDUREAVONX-AWEZNQCLSA-N 431.518 0.988 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 603996900 KWGQLXJOAIDRFS-ZDUSSCGKSA-N 425.510 0.834 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C 604270359 WVMFEMCKIPJMFT-UHFFFAOYSA-N 448.570 0.105 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 609358632 QAXUSKAYTZMWJE-AWEZNQCLSA-N 429.506 0.873 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)Cc3ccc(O)cc3)CC2)o1 726824468 SFBPBIUCGPRIAB-UHFFFAOYSA-N 441.444 0.111 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 728571089 BLLUWFCECLCTAV-UHFFFAOYSA-N 431.968 0.351 30 20 ICED CN(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1ccc(Cl)cc1 731888296 UDNYTOURDXYFHT-MSUUIHNZSA-N 426.882 0.603 30 20 ICED N#Cc1ccc([C@H](OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(N)=O)cc1 734564134 XTDZAEXKJQFKQS-SFHVURJKSA-N 429.454 0.963 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 742530728 DQVFXUQEEFUGFX-UHFFFAOYSA-N 427.526 0.535 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 746500323 XAAIIAPOZNVYKK-UHFFFAOYSA-N 430.983 0.485 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2n(C)c1=O 757591427 UEZHXPGBSRLJKV-BXUZGUMPSA-N 428.449 0.121 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)c(OC)s2)c1=O 758061156 WLGFLTQCAMEYCP-UHFFFAOYSA-N 438.328 0.625 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c1=O)OCO2 758956779 YNGMMBDAUNGQDN-UHFFFAOYSA-N 446.444 0.762 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 761024861 QUOYCYZCWSPTAL-HDICACEKSA-N 449.577 0.324 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 761036730 HZBKEKYALWFQOU-UHFFFAOYSA-N 447.443 0.127 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1cc[nH]n1 772286003 WVWPPKGYDGDKTG-UHFFFAOYSA-N 427.461 0.739 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccsc3)c2=O)cn1 772331797 RYIZODXOFYEJTH-UHFFFAOYSA-N 439.522 0.619 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 787560608 VGFSJFDHXMBSGY-CVEARBPZSA-N 435.502 0.715 30 20 ICED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787882699 CRYOJNWUERZWLP-UHFFFAOYSA-N 435.506 0.264 30 20 ICED C=C(C)CS(=O)(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 790042859 KOKJEBBKVLQMEV-UHFFFAOYSA-N 426.538 0.287 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 793196092 PWQCPSLFRUUAGI-INIZCTEOSA-N 425.532 0.978 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 794581313 KHLVIJDYTICLHL-HNNXBMFYSA-N 443.481 0.963 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 802609272 VCKSNSGMJWUNHP-CZUGFQSVSA-N 436.490 0.064 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)nc1 807852805 SDFYNWPHFMAYIB-UHFFFAOYSA-N 428.537 0.880 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1C#N 809502591 LKQWNPDRMYFJGW-UHFFFAOYSA-N 427.505 0.340 30 20 ICED CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)n(C)c1 813984193 PNFOTDAGLCIHLS-UHFFFAOYSA-N 425.492 0.441 30 20 ICED CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCNCC2)cc1 914600924 YZMKHWGVYRDHDR-UHFFFAOYSA-N 447.542 0.743 30 20 ICED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 919315703 MRERMDBDJCYOBF-PKOBYXMFSA-N 449.529 0.765 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1 927569050 GQRXOZNSUDUIPO-AEFFLSMTSA-N 449.529 0.503 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2=O)cc1 1116067696 AWYKDQCIOOYTDZ-HNNXBMFYSA-N 439.501 0.546 30 20 ICED CN1CCN(C(C)(C)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251856971 WBJWVWJXOAYVGR-GOSISDBHSA-N 426.521 0.905 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288872835 ZYDWJJKFJRUCDT-VXGBXAGGSA-N 439.464 0.111 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1298012277 WNCBXJPVWKIZBU-UHFFFAOYSA-N 447.503 0.934 30 20 ICED CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1359467802 ZCIKKWDUNVZTSZ-BRWVUGGUSA-N 441.602 0.841 30 20 ICED COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1504093530 KAEIIPIRUPMLFM-SJORKVTESA-N 429.477 0.939 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1627778113 KXMFXKPLTYLEHL-WFASDCNBSA-N 428.461 0.987 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1638593499 SRQQHJLVOOJCDG-UHFFFAOYSA-N 440.525 0.835 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1692805334 UEGZITYKVVGLAK-DYVFJYSZSA-N 432.506 0.696 30 20 ICED COCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1749853072 WWLLMKGNJRQVRG-GUYCJALGSA-N 440.505 0.221 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1768932654 VNMVTJUROSDPAA-SFHVURJKSA-N 440.504 0.855 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779084057 GZDQJCAHPGZKJD-UNMCSNQZSA-N 447.919 0.172 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102270 GBMCRBLUVDLREP-YTHMNSHZSA-N 446.508 0.636 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C2 1779329846 DIGVXAMEURFBFW-RZQQEMMASA-N 430.567 0.508 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC3(O)CCCCC3)C2)cc1O 1779396514 NMIUDDCEIHVNLY-XMSQKQJNSA-N 444.532 0.952 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300312 NGZMTVUXEFEDOJ-QRQCRPRQSA-N 445.495 0.777 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729653 HPUKASWWHPZECV-GBXCKJPGSA-N 442.560 0.786 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1O)CCO2 1783566037 WWNVZZDJDJPGGW-SFHVURJKSA-N 437.246 0.686 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1785376510 UTAAJBJCMVQSOU-QFIPXVFZSA-N 437.456 0.879 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612695 MTMAVUOPCJCCDA-ARGWCVDVSA-N 445.582 0.799 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCSC(=N)N)[C@H]2C1 1786848484 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0.671 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837443404 JIMGRJZXKQBFBD-QPHXDFOYSA-N 446.451 0.025 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837443442 BCHXFGROISBUIT-YZEXCMKDSA-N 447.580 0.255 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532752 FMFRRDJVIZOOAM-YHAFYQSGSA-N 440.541 0.312 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759449 FXRUEBVQRZGVIH-JOCHJYFZSA-N 430.505 0.799 30 20 ICED O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)N1 1837781925 OWGAOXOKUVZYLY-HXUWFJFHSA-N 445.560 0.962 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1839066095 GANIOEVJSNVJBG-RAJMRQGUSA-N 435.569 0.256 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081184 XZQQZTPFIJEJIO-YYDVJCTNSA-N 429.517 0.257 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186744 MDUQNVUXFGVBOZ-OAQYLSRUSA-N 442.451 0.139 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450666 CICADXUOGXTNNZ-NZQKXSOJSA-N 442.516 0.851 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839644635 KTNHCRYMIYIDBA-JPYJTQIMSA-N 444.532 0.734 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839843184 SVFGHBBQJPERDT-SBUREZEXSA-N 446.548 0.955 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839887610 JPDKHOVCVIIMBP-MAUKXSAKSA-N 444.504 0.681 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3Cl)C2)C1 1840042434 VKNYNASHAPNECA-SFHVURJKSA-N 442.255 0.546 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840163464 HUNLUBONFRSEEF-CWTRNNRKSA-N 449.489 0.859 30 20 ICED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840211562 GUFJAZBPIJEFQK-LHSJRXKWSA-N 427.461 0.539 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c2c1CCC2 1840813953 HDBRSAKGDYJKLO-JOCHJYFZSA-N 427.505 0.673 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840884205 LTBCKJSWONZGRC-FQEVSTJZSA-N 428.551 0.951 30 20 ICED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842621334 YEHJUEBGEYBMSN-MLNJSSBLSA-N 426.539 0.765 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844624558 OXKRQCGVEKJATJ-UHFFFAOYSA-N 428.518 0.855 30 20 ICED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NC(=O)NC1CC1 10606138 JZQXMZNAFGSQHF-CYBMUJFWSA-N 448.501 0.879 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 30943820 YLDFALRGNMEEKV-UHFFFAOYSA-N 429.502 0.840 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCO1 409504321 UJFMGASRVGMQGZ-CQSZACIVSA-N 427.914 0.365 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1 436919177 MJKXPFWXNOWTRB-UHFFFAOYSA-N 428.470 0.527 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)c1c(F)cccc1F 440698116 XOBKTTOFWFMMDT-OAHLLOKOSA-N 426.383 1.514 30 20 ICED Cc1nn2c(SCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)n[nH]c2nc1=O 444403023 FZWBJPIRXFPZJT-OAHLLOKOSA-N 442.480 0.761 30 20 ICED CCc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 447790402 AJDXDQGDRZBQAY-UHFFFAOYSA-N 446.558 1.118 30 20 ICED CCC[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCN1CCOC 460710654 ZHQHXYAHHJWNFQ-GOSISDBHSA-N 439.520 1.345 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(N)(=O)=O 461660568 XSQZDLUOYZBJDT-UHFFFAOYSA-N 447.521 0.288 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 463192559 MAWYULQIYOUSJF-IBGZPJMESA-N 426.498 0.968 30 20 ICED Cc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 463201731 WVWSLUVGUWIDHQ-GOSISDBHSA-N 432.484 0.963 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)c(F)c1 463600785 KJQPTZNFHXRAGI-UHFFFAOYSA-N 430.461 0.919 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 465054429 YDLXMJJXSHBKLZ-CYBMUJFWSA-N 435.531 0.870 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487499963 HUNAYRQWBJXQMW-MSOLQXFVSA-N 433.534 0.630 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 490221343 GSHCZYMMVULBMJ-UHFFFAOYSA-N 428.489 0.638 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C 501410223 YHJSASDSYLHYOS-UHFFFAOYSA-N 441.532 0.553 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 519777826 QCGGOMVLZKMHER-UHFFFAOYSA-N 429.458 0.349 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CC2)c1C#N 522019247 ZLRAIOJZTLOEBE-UHFFFAOYSA-N 433.476 0.527 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccn3)c2=O)cn1 523576415 XFWDYRARASLEQS-AWEZNQCLSA-N 438.513 0.165 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 533182814 UDUNHVZNUWUFBY-UHFFFAOYSA-N 429.289 0.990 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 543529733 XFIITAWYTGAOGQ-UHFFFAOYSA-N 445.545 0.634 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2nn(CC)c3ccccc23)c1=O 545313909 MXXREQPOFBWEKX-UHFFFAOYSA-N 439.541 0.955 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 546906426 WHLPCIDNIVNIKG-ZDUSSCGKSA-N 425.424 0.884 30 20 ICED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 547962542 KLVQZPFSNRWTGX-HNNXBMFYSA-N 441.509 0.291 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548042737 BEOMHNJOKKKWLI-UHFFFAOYSA-N 440.507 0.169 30 20 ICED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549266618 SFJHUWNTUNAYAE-UHFFFAOYSA-N 425.537 0.821 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)o1 553533694 DEZPPKLOEDMUGU-UHFFFAOYSA-N 425.444 0.274 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cc(F)cc4c3OCOC4)CC2)nc1 560013205 UFVBVCNYFABRSW-UHFFFAOYSA-N 439.447 0.966 30 20 ICED C=CCn1c(Cc2noc(-c3nnn(-c4ccn(C)n4)c3C)n2)nnc1N1CCOCC1 582053041 FDQLQLNUXIGGBC-UHFFFAOYSA-N 437.468 0.564 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H](c2ccccc2)C1 585720600 UOLMYKZOCCPZMN-OAQYLSRUSA-N 426.565 0.586 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)CC1 588243216 BYGGZDFFIHBCIG-UHFFFAOYSA-N 425.497 0.182 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)ccn1 589408895 RERFODIHFFUDOY-KRWDZBQOSA-N 430.442 0.614 30 20 ICED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 603806679 KPQWFKSLKZUTDP-HXUWFJFHSA-N 434.518 0.573 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CCCCC#N)CC2)c1 609464758 ILKLNKIYZMTBQP-UHFFFAOYSA-N 435.549 0.865 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cn2)cc1 615108197 UVNWLGFPOYMBJQ-UHFFFAOYSA-N 439.472 0.837 30 20 ICED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 615633171 URGCBAFZBVFTPP-FQEVSTJZSA-N 435.431 0.889 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726584499 DJJNRHTVMBLQQX-UHFFFAOYSA-N 448.549 0.484 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 728570377 BKRHJYSTZDJHDB-IBGZPJMESA-N 428.533 0.734 30 20 ICED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)C(=O)N1CCS(=O)(=O)CC1 732910173 KOOLKODQSZQJTN-MRXNPFEDSA-N 445.453 0.877 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)c1 747796810 FRMWCGKOEAHTTC-ISPGYRLHSA-N 440.547 0.422 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C1CC1 758586036 OAGAIEMSBDNUCK-UHFFFAOYSA-N 439.541 0.506 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 761032841 OHAZHDXGQHRMOR-UHFFFAOYSA-N 447.561 0.383 30 20 ICED O=C1NC(=O)N2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]12 764506769 GGDQMSYBMISZJZ-CQSZACIVSA-N 433.490 0.048 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)CC1 766119387 ILKLQMLYIZFFPG-NRFANRHFSA-N 432.952 0.949 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3CCCS3(=O)=O)CC2)cc1 773110016 NFXRGDOWNAVAHH-UHFFFAOYSA-N 441.531 0.538 30 20 ICED C#C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)[C@H]1CCCO1 775323289 IYNLOPNCYBPVMI-IEBWSBKVSA-N 445.497 0.872 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2scnc2C2CC2)c1=O 782793122 OFEGTNDYAUPLEI-UHFFFAOYSA-N 428.539 0.533 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 787760668 UVOCWKQHDQSXCD-FQEVSTJZSA-N 436.516 0.541 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)c1C#N 788312764 JLJWMKIIARNIBD-UHFFFAOYSA-N 445.549 0.551 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)c1cc[nH]n1 789940553 DPZKJUASLWYKFI-UHFFFAOYSA-N 437.478 0.891 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CCCO1 799259969 KZOORRNBKYDRDA-GJZGRUSLSA-N 437.294 0.916 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 804317167 UWDXUUOAEGPNRI-UHFFFAOYSA-N 443.548 0.227 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)cc1 808052197 NGDTWUWWHKGHNF-UHFFFAOYSA-N 426.502 0.871 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 816130262 FPAZYSBXPFAOMB-SWHYSGLUSA-N 434.430 0.835 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 838246551 PWDOVXHVKJIJRJ-LBPRGKRZSA-N 437.468 0.489 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCSc1ccccc1 839335337 LPDWOTGEVGSRHG-UHFFFAOYSA-N 425.539 0.685 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCNS(C)(=O)=O)c1 916694217 SYJYRFHLKDGYTO-HKWRFOASSA-N 431.540 0.560 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)c1=O 917194335 HTSALOGFLPVPTG-UHFFFAOYSA-N 436.472 0.158 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1286537097 WGZQCJGGPKWNDZ-LLVKDONJSA-N 435.348 0.465 30 20 ICED CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1288037811 NDQKYWMJEJHNMW-UHFFFAOYSA-N 425.493 0.783 30 20 ICED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1316536182 NBKRAHBKHZPAJB-HOTGVXAUSA-N 441.579 0.745 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)NCc1cccc(C#N)c1)c(=O)n2CC(C)C 1317875098 ZYXGUZLNZLAAIX-UHFFFAOYSA-N 438.488 0.850 30 20 ICED C=C[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1321270859 MAUZDTUKMWRJHH-INIZCTEOSA-N 439.534 0.626 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)NCCS(=O)(=O)N1CCOCC1 1358210707 QNSGSRIHARIMQB-UHFFFAOYSA-N 432.296 0.478 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1620169920 LPSIOXLUCJEUAK-UHFFFAOYSA-N 441.521 0.580 30 20 ICED N#Cc1cn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(=O)nc1O 1629822538 QYLBLLIJYYGZIP-IBGZPJMESA-N 431.452 0.864 30 20 ICED CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706202903 KDTLOMPKQJKIDI-INIZCTEOSA-N 445.549 0.544 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1707833310 RKWVIWSIMMCWTO-ZDUSSCGKSA-N 426.403 0.547 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1723618002 ONYKSDLICJHRDL-CYBMUJFWSA-N 442.446 0.271 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1=O 1730786701 PTXMIWMCHQMQNX-OPAMFIHVSA-N 440.504 0.652 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1766722532 CBLRQXWACFDQCC-CQSZACIVSA-N 431.522 0.423 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1767573083 YAPNYFKPFOSAGF-OAHLLOKOSA-N 437.508 0.809 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778935443 BOPPGDXFVXPNJK-SPLOXXLWSA-N 449.508 0.162 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780190141 LTWNBLIMGCCEEI-UTKZUKDTSA-N 448.907 0.806 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)cc1 1780412864 JPGCNYDZOTUKBO-WZONZLPQSA-N 436.468 0.611 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169985 IPEGNBLHYILFAT-JOCHJYFZSA-N 430.505 0.990 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781336875 FEMJIKYWEYQUFN-BTYIYWSLSA-N 436.509 0.396 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1781395891 DSOJUSXPQYPFIN-FOIQADDNSA-N 435.481 0.344 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)C(F)(F)F 1781805605 PMPBUEHNAPQJGO-UWWQBHOKSA-N 435.443 0.269 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1782199526 RKUSENRKTPXXNI-SPLOXXLWSA-N 434.460 0.731 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C1)CCC2 1782438353 INQDKVPXALLECY-BMUPIEFHSA-N 445.520 0.881 30 20 ICED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1783540005 MOPQULRVVISXNS-JYJNAYRXSA-N 431.470 0.683 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556179 OOGKXJWHYIOBSG-NRFANRHFSA-N 435.477 0.209 30 20 ICED COc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc1[N+](=O)[O-] 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C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3O1)C2 1792490363 PSHBQXJFDUPOOV-AKSVKJPWSA-N 439.512 0.828 30 20 ICED COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1792725163 CTYRGPMVOCGWJT-UPHUGPLXSA-N 444.532 0.945 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793360863 AHWZWWZWTZCWJY-RMYQPGKMSA-N 428.533 0.564 30 20 ICED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)c1ccc(F)cc1 1795411436 PPWWSSUPHFTKJZ-UKBAYJJMSA-N 428.464 0.896 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1797648581 FEMGBBTWEAJEQG-JNIAIEOXSA-N 441.532 0.953 30 20 ICED Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c(O)n1 1797815392 NQJIZAJDDBGIKH-ROHKSLLLSA-N 432.477 0.828 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)cc1 1798919750 HMEBDJHCZPXKNS-NBMJBFSESA-N 425.514 0.788 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)c1ccc(F)cc1 1799058770 XEPUVZATARJQNH-MGMMFMINSA-N 445.491 0.631 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799357418 AEUZZAJRCMJADO-BTTYYORXSA-N 427.343 0.785 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC(C)=O)OC(C)=O)C2 1800108112 KWYXYKYENAXXSM-MHORFTMASA-N 438.477 0.629 30 20 ICED 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)CCO1 1802235751 NCYGFOSLWFBSGN-IBEHDNSVSA-N 443.566 0.530 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1807610828 ZDJGKGBCWLWCIB-KNQAVFIVSA-N 430.472 0.888 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)[C@@H]1c1cccnc1 1812878512 JATIRXGNLKYZCT-ZRCGQRJVSA-N 432.480 0.890 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](C)S)[C@@H]2c2cccnc2)CC1 1813038838 WAJAXEGJZJQXOE-CVAIRZPRSA-N 433.578 0.570 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 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C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3F)C2)C1 1829765153 IRGMVJILFBKMCN-YLNCNTMDSA-N 445.491 0.683 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829873171 FBTHFDGOLMLTJT-QHCPKHFHSA-N 433.549 0.237 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1831208559 NPPQYRKEARZEEO-DVECYGJZSA-N 443.544 0.647 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831216628 VURZTZZSWYZZMC-QFIPXVFZSA-N 428.489 0.408 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C)n3)C2)C1 1831387623 RKNVEMCWIZYPMT-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252330 XGGBDOCZGGJQGA-INIZCTEOSA-N 438.374 0.602 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1832462558 NKXMCSQOBVGNRC-QGZVFWFLSA-N 427.552 0.272 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832732489 WZNSBPKHPDZNHJ-HSZRJFAPSA-N 442.516 0.461 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1833464228 RQOOLELPBLXHGU-SFHVURJKSA-N 436.622 0.645 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1833468596 VAAJXGPZCPINOV-MSOLQXFVSA-N 434.581 0.901 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833944988 AHXKRFQNGQPUQC-GOSISDBHSA-N 433.553 0.884 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834385928 FTTKEPARHBCYNO-JOCHJYFZSA-N 439.472 0.534 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1835346717 QYANCDOEBUZFDJ-WMZHIEFXSA-N 437.500 0.513 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673132 XFMZIDRXOPARLG-OAQYLSRUSA-N 432.525 0.255 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835829583 RAEWTLPSBUSAFY-KRWDZBQOSA-N 446.596 0.531 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccn2)CCO3)ccc1F 1836172588 VVPAMDCJLGPWDI-QFIPXVFZSA-N 441.463 0.593 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)N1C[C@H]2C[C@H]2C1 1837287221 ORNPEDKPTKIIEU-XNGFIGEISA-N 427.505 0.297 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1837395241 VBNUDPNUZZBMQU-JTSKRJEESA-N 433.505 0.028 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837396031 AMLNRYUMUOMWSW-JPYJTQIMSA-N 442.516 0.977 30 20 ICED CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C 1837443509 DBPWBULCRFPZCQ-DHNIJCFSSA-N 446.552 0.753 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837525976 AOLHATGPCPWQCR-LRHHQANISA-N 446.504 0.610 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531432 MRDBNTSFNPYEMG-DTKOAWRHSA-N 435.481 0.317 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1837782873 SGBOKGYVWHYDOH-GOSISDBHSA-N 435.521 0.773 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737132 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N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)CCO3)C2)CC1 1839634558 QDONHTDNUOGWPW-WMZHIEFXSA-N 437.500 0.513 30 20 ICED C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1839748711 LLYKTRSUWGPQRO-VGOFRKELSA-N 430.457 0.388 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1839846661 ZKKYKFIGESMODE-IERDGZPVSA-N 448.476 0.425 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839885621 IIJDSGZXYLGXFL-OAQYLSRUSA-N 448.907 0.808 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050922 ZTWFNJVJNFFPOI-QSNWEANLSA-N 436.505 0.520 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840321734 GZKWRKNQARSCFA-NRFANRHFSA-N 430.461 0.179 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c1 1840714058 UTYJLVCATFUCBZ-KKSFZXQISA-N 449.529 0.428 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(c4ccccc4)(C1)C3)CCO2 1840954216 BOCIUHNWFKSFHA-KXTRFFEISA-N 438.480 0.653 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)[C@@H]1SC(=N)NC1=O 1844282524 ACJCLIUQOZZDSW-HOCLYGCPSA-N 432.546 0.691 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2CN2CCCC2)CC1 111052877 MBYXRFXYAZTHDL-HXUWFJFHSA-N 445.589 0.951 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)o2)C1=O 410118991 NELHANLNIFJERG-HZPDHXFCSA-N 428.489 0.997 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)[C@H](C)CN1S(=O)(=O)c1cccnc1C#N 428392628 KFAGPXZTJGCEPF-OKILXGFUSA-N 446.514 0.692 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 430415179 DWTMVRWTKNRORU-ZBFHGGJFSA-N 442.563 0.382 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 441919333 HNYLJQXKXCTUFW-ZDUSSCGKSA-N 440.481 0.636 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441957326 UOUNXDFBNSZHLU-CQSZACIVSA-N 442.497 0.067 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nc(COC)no3)CC2)c1 444216757 SOFLTGZHMRDKKN-UHFFFAOYSA-N 435.506 0.638 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 471456189 YEEFKKCWIMQAMX-YOEHRIQHSA-N 429.456 0.730 30 20 ICED COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472855895 NFQPQNTUVLPCFB-UHFFFAOYSA-N 446.414 0.952 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2)c1C#N 472881810 MLXPAVLUZXKXDX-UHFFFAOYSA-N 439.476 0.142 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2c3ccccc3NS2(=O)=O)cc1 473258763 SWIBMJYBHVLHEK-UHFFFAOYSA-N 434.499 0.766 30 20 ICED CS(=O)(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 474864391 ZCPXHVMYAJZUOP-UHFFFAOYSA-N 426.520 0.151 30 20 ICED COCCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 481013596 LYHZXJDIPUWPJX-OAHLLOKOSA-N 437.522 0.284 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 481156886 OUNGZZBFIFIHOQ-BBRMVZONSA-N 432.477 0.825 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 481468998 USVLMGXWFFZFAU-UHFFFAOYSA-N 427.483 0.292 30 20 ICED CN1CCC[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC[C@@H]21 483482903 DBAWBHBRPNGZQI-UXHICEINSA-N 445.589 0.807 30 20 ICED COCCN(C(=O)CCC(=O)N[C@@]1(C#N)CC1(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 484901107 QNLLOJUCAPBNGR-OAQYLSRUSA-N 448.524 0.755 30 20 ICED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 486112869 AYYIJSLZFIAMHX-UHFFFAOYSA-N 429.502 0.964 30 20 ICED CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](C)CS(=O)(=O)CC 491309053 JDCXCOYYQGROHS-CQSZACIVSA-N 432.506 0.808 30 20 ICED COC[C@@H](C(N)=O)N(C)C(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 500384747 HDYXRUPQIPBXDP-HNNXBMFYSA-N 430.421 0.953 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 502546248 LZBHMMPCBDSCPT-UHFFFAOYSA-N 437.518 0.696 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O 519100175 KPFQMCOGDXHBJO-UHFFFAOYSA-N 447.879 0.082 30 20 ICED COCCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCS(=O)(=O)C1 520862688 AYQUPCFOAXXWGZ-INIZCTEOSA-N 443.547 0.463 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(I)s2)C1=O 524274742 WTEPLJJSIFWJDH-UHFFFAOYSA-N 447.254 0.988 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1=O 552163605 IZJYDQSPUPVITP-MOPGFXCFSA-N 442.516 0.457 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558040461 DYQIMIJWMBQPBT-QGZVFWFLSA-N 444.511 0.063 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)nc1 559987628 XLTLQRSOHACFBO-LJQANCHMSA-N 448.483 0.503 30 20 ICED CC(=O)NC1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 570717598 HSNATTROWLSCSC-MHJFOBGBSA-N 439.516 0.681 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@H](O)C3)CC2)nc1 588806883 KIBMYNKTAMMOPO-NRFANRHFSA-N 448.527 0.485 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(OCCCO)CC3)C2=O)cc1 588869161 FLUKXNVGTSYDDV-LJQANCHMSA-N 428.489 0.165 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 589494417 IZSHXYOHJYFPOE-IBGZPJMESA-N 437.481 0.626 30 20 ICED N#Cc1c(CCCNC(=O)NCCC(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1N 603806443 YYCARBMLWDQONV-UHFFFAOYSA-N 443.483 0.946 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118958 AOKJCLHXSWORKZ-UHFFFAOYSA-N 431.539 0.529 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 604540929 ZITUUHQUVBGNRW-UHFFFAOYSA-N 431.474 0.799 30 20 ICED Cc1ccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1S(=O)(=O)NCC#N 609411976 JEDVBRDMQNVDRR-UHFFFAOYSA-N 442.563 0.779 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)c1C#N 619734527 HGXHGIBIQFBIAT-UHFFFAOYSA-N 431.522 0.421 30 20 ICED CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 726998455 IGEWTQXGDVMQQC-UHFFFAOYSA-N 428.430 0.776 30 20 ICED C=CCOCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 729765217 BMHUVBDAOSCSIO-UHFFFAOYSA-N 428.463 0.400 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCN(C)CC3)c2=O)cn1 732563388 WTIQJBNMUOTBGV-UHFFFAOYSA-N 440.573 0.518 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 733150637 RFEXWOXWWNVCHO-UHFFFAOYSA-N 448.479 0.973 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741373672 KQTAXOYGHABJCJ-CYBMUJFWSA-N 440.474 0.955 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C[C@H]1CCCO1 744130838 PSLVMJURERAZEV-HUUCEWRRSA-N 443.522 0.368 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C#N)C1 758771769 OMHUEXDSNRWTCF-IAGOWNOFSA-N 434.541 0.695 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)cc2I)CC1 760525131 ULCDNBNINWWLTD-UHFFFAOYSA-N 441.269 0.807 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cnc2n(C)c1=O 762011968 VNKTUHSCLIACCY-QGZVFWFLSA-N 448.439 0.042 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 766986761 KBCHMDKSTPJSIX-OAHLLOKOSA-N 445.432 0.631 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc[nH]n1 772207662 WZMBJEXTNFBHCI-LBPRGKRZSA-N 437.478 0.479 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)s1 773290672 RUDXMNZQFMWFSB-UHFFFAOYSA-N 443.576 0.887 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777362482 MZTHKUSSCWZLSW-NSHDSACASA-N 444.473 0.329 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)c1 783464292 PPCDRGSOMWZOAG-UHFFFAOYSA-N 443.481 0.781 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 784869108 YSXYVOXTWRJLPM-UHFFFAOYSA-N 430.530 0.961 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1=CC(=O)n3c(nc4ccccc43)[C@@H]1C#N)C2 786433245 XNATZSKZOVEYIN-OAHLLOKOSA-N 446.471 0.186 30 20 ICED C=CCN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 791330812 ZGYUSSUVLXNYDF-WFASDCNBSA-N 427.910 0.516 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 799933938 GVYKGFBWOIJMMV-ZDUSSCGKSA-N 449.504 0.358 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 800656226 QKRYCZJXRUJKJZ-UHFFFAOYSA-N 439.559 0.628 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCCO[C@@H](C)C#N)ccc2F)CC1 801865946 JZQNJOZCUQDCOQ-ZDUSSCGKSA-N 427.454 0.764 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)[C@H]1CCCO1 809305769 JJHBRGSDMKQKII-AZUAARDMSA-N 428.533 0.573 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)Cc3ccccc3)CC2)o1 915379860 YDWVCFRSXUCROY-UHFFFAOYSA-N 439.472 0.796 30 20 ICED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC 916935741 VANOPWDMPLEOGA-AWEZNQCLSA-N 430.442 0.849 30 20 ICED N#C[C@@H](C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012612 ARZHYJUWQUNDOX-INIZCTEOSA-N 427.377 0.757 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3ccsc3)CC2)c1=O 917487218 BEILHEGXOFXAAK-UHFFFAOYSA-N 431.518 0.411 30 20 ICED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918432105 UJQYOZFUGLMGOV-JPDJOPTESA-N 436.490 0.459 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O 1116885831 BLTVFIFUGNCUAW-KRWDZBQOSA-N 437.521 0.383 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1117523686 YRJQPATVHUSLLE-UHFFFAOYSA-N 426.502 0.716 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(CC(N)=O)C3)CC2)cc1 1318509674 OJWSOAKJIZHQDB-KRWDZBQOSA-N 433.534 0.025 30 20 ICED CS(=O)(=O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1321207951 DRDHMUZIHNOLET-KRWDZBQOSA-N 425.532 0.604 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359143173 VRZBTCXKUSYVHG-GJZGRUSLSA-N 432.978 0.942 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3c(C#N)c(C)nn3C)c2)CC1 1531925609 PZQVELNXIRAQEL-UHFFFAOYSA-N 430.490 0.705 30 20 ICED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1620180871 ZYXAPCBEUPHYRK-PMERELPUSA-N 428.518 0.966 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCOCC2)c(=O)n1C1CC1 1653013855 RBRNEESEMDJYQP-UHFFFAOYSA-N 437.500 0.674 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cn[nH]c1 1723952145 HQUGNKSAIHXEGS-XJKSGUPXSA-N 433.542 0.031 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1746736401 UOUAWIHSIVRIQS-BBTUJRGHSA-N 434.541 0.506 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1767840753 MJKWXDXYSJRSPE-KXBFYZLASA-N 447.496 0.628 30 20 ICED COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767967925 KKYATYDLVVJBIP-DZGCQCFKSA-N 425.559 0.490 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1779190344 DUDOGORSWMXMAP-CIEVZJJWSA-N 425.529 0.736 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1780008138 HRZIUNHDFKDCQC-QHCPKHFHSA-N 435.436 0.175 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1780175463 JVMLKYKDHWLUBW-HXUWFJFHSA-N 442.501 0.921 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781397352 XRTMYOJYFQHKFS-HRAATJIYSA-N 428.493 0.903 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(N)=O)C2)c(C#N)c1 1781770964 HMZXATFYCJVVKM-AUSIDOKSSA-N 442.516 0.889 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C(F)(F)F 1781805650 UFAXANPJVUQUCA-SUYBPPKGSA-N 437.415 0.683 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814459 UQTUBKHDGBWSJJ-ZJHLSYPMSA-N 429.429 0.959 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1782059848 UPFKEDVSBUFZJM-QFIPXVFZSA-N 437.456 0.885 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1782917752 VFBQXGOJZQKJEV-JOCHJYFZSA-N 432.517 0.858 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C)CCO2 1783048069 OREXLGSGDYLMCB-FDDCHVKYSA-N 442.516 0.981 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc1C#N 1785198007 QXFPBFZNJLFSHI-JPYJTQIMSA-N 440.500 0.925 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785248698 MEUWYRCNYFLIHV-DFEOGRTESA-N 447.536 0.915 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(O)cn1 1786275148 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CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1789942334 VBTPJIGPUMEZNG-UHMOLFJZSA-N 442.491 0.840 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1790315928 YLDWPWPDVDRXBR-IEZWGBDMSA-N 437.456 0.257 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C[C@H]3CCOC3)NC(=O)OC(C)(C)C)C[C@@H]21 1790791630 KTYNPTJYJLZEPH-BCYZHJNNSA-N 449.548 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793344135 IOPHZDPDZWTOTK-VWPFQQQWSA-N 425.441 0.063 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793565648 CTJMACVTQUSEDE-IECFSIQFSA-N 436.553 0.905 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnnc(Cl)c1 1794214383 FUGDZGWOFGGCBX-RHNPYBAZSA-N 437.884 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1-c1ccccc1 1796737343 ABCQYPOQCUZDHD-ROAZTASUSA-N 449.511 0.934 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797837085 NRZPIQHFYNGFOF-IFPBRKCUSA-N 430.505 0.691 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1799396607 VVXMEPDCLPYYSB-PNBKFKSVSA-N 426.514 0.902 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c1 1799801239 MEKOJYIRRXXESO-UPHUGPLXSA-N 437.456 0.645 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CCc2nc[nH]c2C1 1801269042 SKQSWARETJZURX-PUETWQMCSA-N 445.520 0.633 30 20 ICED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)C(=O)O 1807203532 AIKPJUUECCYIQF-LMMKCTJWSA-N 444.536 0.432 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811182732 PEGQEOKXWZOWGA-ALKREAHSSA-N 436.472 0.328 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC#N)sc2C1 1814497442 WEKKYMKUSCCCHV-RYUDHWBXSA-N 427.490 0.967 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819443815 KPPPYOMGQWFLKF-VQIMIIECSA-N 447.540 0.334 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036385 AQDZZXNYRHFGFT-GWCFXTLKSA-N 444.517 0.831 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824769045 MFVGLKBFKMIRPN-MJGOQNOKSA-N 429.517 0.960 30 20 ICED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CC2 1828099817 QFGUONVFCVUQFA-XJKSGUPXSA-N 428.518 0.939 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1831403939 CAGYSPIEJYCQPY-HXUWFJFHSA-N 444.550 0.332 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833483030 WOVCYWDPWKBFMS-IAGOWNOFSA-N 443.610 0.830 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1833813387 CENLADPMFCNTNG-IQTGRTGDSA-N 427.461 0.567 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)cn3)CC2)CC1 1834284953 PYJDFGXFAVEDDP-PLNGDYQASA-N 428.537 0.464 30 20 ICED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834897082 FMNDXJMWEVVCJQ-HYARGMPZSA-N 427.509 0.562 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836808999 UTQOCNXCFBZSPZ-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837400246 ASDVSPJLKBRGFC-YWZLYKJASA-N 436.465 0.566 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837485960 RLNKIWOSGQJVHH-HRAATJIYSA-N 428.493 0.427 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837525044 RTEZZTMPRYWPDZ-ZLISCHMWSA-N 433.465 0.076 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837567695 SXJFROKMKITDIX-FFCJBUTOSA-N 429.477 0.131 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1837727859 QLVXZPMITDAYQH-GCJKJVERSA-N 439.553 0.586 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838149629 CDLSIUQUVZPXMN-AVRDEDQJSA-N 434.537 0.855 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838538718 AKMDJDRAAMPFQD-UHFFFAOYSA-N 446.504 0.892 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838597987 ISIZURGCMJAMCO-SZNDQCEHSA-N 448.907 0.806 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628576 KYKAYUFKOJPYQU-FQEVSTJZSA-N 433.417 0.970 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1838737891 DSWJIBCSBYSFLP-UQQIOGDDSA-N 428.493 0.428 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1cccc(Cl)c1)CCO2 1839043500 CWGPMMDDAOVWLE-CTNGQTDRSA-N 433.892 0.607 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1839173126 BDZVSRWOSDBTPQ-PGRDOPGGSA-N 438.521 0.911 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnn1 1839709080 WHUWEJADDZPGAP-RJJSUGEPSA-N 430.465 0.008 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(=O)c3ccccc3)C2)C1 1839806581 TVJKNFJNWBTIJW-CVDCTZTESA-N 427.501 0.675 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1)C(F)(F)F 1839893702 KQKGTLATSCWXSJ-GOSISDBHSA-N 429.395 0.574 30 20 ICED COc1ccc([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040003 LJCUIRRHGDQEEM-OPAMFIHVSA-N 430.457 0.343 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381327 WXRXXIUIFIPVHW-HXUWFJFHSA-N 442.501 0.539 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840493118 AOOVMCQDXQAUFE-YCRPNKLZSA-N 426.477 0.723 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716317 HQQDARUHFWFQRT-SEPYTNNBSA-N 442.516 0.908 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)ccc1Br 1845458383 YCYTXEOKVQHKNC-UHFFFAOYSA-N 430.266 0.824 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)CO2)C1 1846120629 FTOSVJVWELGGFM-HNNXBMFYSA-N 447.488 0.304 30 20 ICED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846535346 MEMPFZRGXPSWSO-HNNXBMFYSA-N 445.476 0.137 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1846561394 XROPQSFHOKRJRQ-LJQANCHMSA-N 438.463 0.985 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1847046280 ZUGOMOVMYNGGRI-OLZOCXBDSA-N 429.539 0.965 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(C)C(=O)CC1)C2 1847068766 FTFCPXVFTKQGBA-HNNXBMFYSA-N 445.520 0.715 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434801568 GWINGEFJIPFULC-INIZCTEOSA-N 444.536 0.445 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C#N 435479357 YMCKOJWTUXZBDD-UHFFFAOYSA-N 427.461 0.233 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 439358563 NFBLKTBNZVUTGM-UHFFFAOYSA-N 433.421 0.299 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(F)ccc2OC)c1=O 461342670 OJXKCNIELYPGNH-HNNXBMFYSA-N 431.489 0.876 30 20 ICED N#Cc1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)nc1 462297773 OYGZBNWQRPCVMI-KRWDZBQOSA-N 440.485 0.055 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 471864023 HHDIKLARYPVEBN-UHFFFAOYSA-N 437.551 0.602 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475200236 BVNCWJJQZKOXMQ-HZPDHXFCSA-N 438.488 0.988 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 494326386 FPIHCFSFUVZTSK-AWEZNQCLSA-N 439.563 0.452 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)ccc1C 500263898 WFAPUYOBHVFIDH-UHFFFAOYSA-N 428.518 0.931 30 20 ICED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 507127209 OFUZFENOCHJFPI-FQEVSTJZSA-N 436.516 0.875 30 20 ICED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508923502 VCQNLWUZQDHFPW-UHFFFAOYSA-N 446.493 0.067 30 20 ICED N#C[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@@]12C(=O)Nc1ccccc12 513984998 JLRLVGFLLVYHBJ-ADLMAVQZSA-N 431.499 0.951 30 20 ICED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1)CCCC2 514100586 SYEOPXHVYFRYLG-UHFFFAOYSA-N 442.545 0.987 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 516621458 BCUBFGRKXISBJA-UHFFFAOYSA-N 426.454 0.905 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 523667793 IYCJPATZRQGMTA-CYBMUJFWSA-N 448.423 0.978 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(C)C)CC1 530921447 MDFIZSZULBUXOU-UHFFFAOYSA-N 436.534 0.254 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 544212484 JCGMBYIARQIZLX-AWEZNQCLSA-N 428.449 0.391 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545496795 FFUVJOORJCCPHZ-UHFFFAOYSA-N 436.472 0.708 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CN1CCOCC1 559649399 FILCLANFFXDMOI-QGZVFWFLSA-N 425.283 0.459 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c1 561477951 SBOMJDKKYSKSFH-UHFFFAOYSA-N 441.487 0.864 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 603581355 OTHNNUCPLZCHAM-CALCHBBNSA-N 427.571 0.301 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 608911051 GRWOVQBYJUGAJY-UHFFFAOYSA-N 436.896 0.607 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C 609416852 TWLKRDGAIDGOKB-UHFFFAOYSA-N 426.542 0.644 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 610007351 LHJRVWXRIJWXDN-UHFFFAOYSA-N 430.408 0.689 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 612869396 VZQGMIFLVMFGAT-UHFFFAOYSA-N 440.528 0.414 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C(C)C)c3)c2=O)cn1 732797564 RNCKEFROLNWDOL-UHFFFAOYSA-N 437.529 0.674 30 20 ICED CN(C)CCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 733888874 IEZJIXXXFURELL-JOJWKMGHSA-N 435.550 0.848 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 743725245 KGPYIEVXMKFIBV-UHFFFAOYSA-N 430.511 0.099 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)n(Cc2ccccc2)c1C 745468397 MXKYEGJVHNNIOH-UHFFFAOYSA-N 435.444 0.897 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 745993536 HTNTXCBNDRBRBH-UHFFFAOYSA-N 448.545 0.074 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 751925391 RHEBGAFQJWOKEC-DGCLKSJQSA-N 443.489 0.975 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@H](C#N)C1 758480248 QWMILMXSPZHHOA-GDBMZVCRSA-N 443.570 0.554 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[S@](C)=O 766646616 UIROGUNNCWTYDU-OPZXXQSVSA-N 442.563 0.711 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2sc(N3CCCC3)nc2Cl)c(=O)n(C)c1=O 771890227 FKJPHXORFCQEHQ-UHFFFAOYSA-N 432.915 0.107 30 20 ICED Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897520 OVSSGIXPJFDXRK-UHFFFAOYSA-N 434.453 0.338 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774528751 CLGMBUMNUDVFLS-UHFFFAOYSA-N 436.537 0.964 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 782949205 RBXHJZRRWFPGGI-CQSZACIVSA-N 448.339 0.748 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 783349734 AVUYZGJLXMPVST-UHFFFAOYSA-N 425.576 0.933 30 20 ICED COc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc(OC)c1OCC(N)=O 791189301 UXKGIZUJPFNFPP-UHFFFAOYSA-N 425.445 0.797 30 20 ICED CCOC(=O)[C@]1(COC)CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 799065257 LQXQLZHTTKSFSA-HXUWFJFHSA-N 437.518 0.934 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 799284845 PCQJJZZJJMRNIB-MRXNPFEDSA-N 437.518 0.699 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805092242 ZGAFGHRMKXVSTB-UHFFFAOYSA-N 435.531 0.714 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 805411273 SGCKDAIGFPIYIH-SSEXGKCCSA-N 425.514 0.667 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)c1ccncc1 805808645 VZZVTAZXLSNIBI-MSOLQXFVSA-N 438.550 0.714 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249319 LIVNVAJOGUDGJE-UHFFFAOYSA-N 437.472 0.143 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCN(C)CC2)C1 820465068 BTTXVGGFJXUDOC-IBGZPJMESA-N 447.605 0.846 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 895504260 YDTGRMNUMJRCPM-GFCCVEGCSA-N 443.453 0.404 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 917035917 SYSMBPINRMAECD-QGZVFWFLSA-N 428.470 0.560 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167523955 ZKWQSUKMOBHAJY-OAHLLOKOSA-N 445.863 0.904 30 20 ICED N#CC1(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1180610080 JZAHGJHULRGDCW-UHFFFAOYSA-N 448.545 0.736 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1296306916 TZLWANSWFADNDE-OAQYLSRUSA-N 425.493 0.820 30 20 ICED CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297793426 PUFFJEVZBWVLIS-AZYRPFHASA-N 442.549 0.871 30 20 ICED CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1315164098 OGDBGVRMFWYJSM-HOCLYGCPSA-N 426.543 0.776 30 20 ICED CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 1330436612 MQJRISYTCAJNSB-HZPDHXFCSA-N 433.490 0.256 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 1359447523 XDJHGFPBDHYJCW-GOSISDBHSA-N 425.493 0.636 30 20 ICED COc1ccc(OC)c(CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1441019519 TVHWPLHOZFEYPM-UHFFFAOYSA-N 427.461 0.572 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1504884512 MNEINBQAWARPDC-UHFFFAOYSA-N 438.554 0.848 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1541928189 XOPLSKNNQVRWSJ-SCLBCKFNSA-N 441.533 0.779 30 20 ICED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 1557981424 QWLNPRMXBLBNGS-QGZVFWFLSA-N 436.534 0.286 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1618468341 JYTMLEJARNKKMK-NQIIRXRSSA-N 444.561 0.897 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1618827967 WPGGMPBUQPWGAX-YCRPNKLZSA-N 425.493 0.818 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1687426433 IVIOTUVSVVBXKZ-WOJBJXKFSA-N 428.537 0.913 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1711415296 MHTIQZJFKOIFLX-UHFFFAOYSA-N 435.492 0.972 30 20 ICED C[C@H]1COCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1761478179 GWNQHMSAKBJJHR-JKSUJKDBSA-N 439.586 0.739 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779103795 AVRIMOVFBYUWJJ-ZLTNTPEESA-N 433.509 0.712 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779318057 GXDBZGVVNOJHLJ-DENIHFKCSA-N 428.489 0.347 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)cc1C#N 1781253040 PYGBSZYIICZBLD-OPAMFIHVSA-N 428.489 0.923 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1781861147 NXHXJFLXVJYJGP-JTSKRJEESA-N 444.488 0.845 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1781961286 LOQJUHQFYIJMGN-QFIPXVFZSA-N 440.431 0.456 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783052715 GZERIGOKXHKYCP-HXOBKFHXSA-N 438.532 0.730 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1783146415 CWWVOXRAHKYEGY-CVDCTZTESA-N 427.501 0.855 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1784012486 KPOSVABLVFKQLA-SBUREZEXSA-N 438.484 0.595 30 20 ICED CC1(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CN(C(=O)OC(C)(C)C)C1 1785709403 GRGCDENFYSHFDU-JOCHJYFZSA-N 449.504 0.551 30 20 ICED COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786424124 ZTLINPOZLBDQPC-QARRMGBZSA-N 425.482 0.448 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788309852 YGKZQOFLKIUMBI-BQFCYCMXSA-N 439.520 0.604 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788575308 VJVSVDYBDLMVCF-LAQRGFTBSA-N 427.505 0.896 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637510 UANGNTQKCMUCRA-BZSNNMDCSA-N 440.562 0.099 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658265 IFFCETJYHZWNFK-WWCQJWTPSA-N 436.509 0.186 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793222018 XFQNZUPIAPYNSG-XEMDLRDOSA-N 437.537 0.921 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1793354979 VVYLVTWZBMQYOA-AFIMGQEJSA-N 437.518 0.279 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794037451 QBNFPVRXKLGVMT-OAFZBRQQSA-N 433.509 0.525 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cc(C(F)(F)F)c1 1795859716 OZDJYSZZRFXKRH-XOIINTDNSA-N 449.393 0.467 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2n(n1)CCCC2 1797441411 VFTWFNUXYNWKDK-NCEYCINPSA-N 445.520 0.952 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1799395362 OCYIPWIRSVIFKP-AKHDSKFASA-N 435.569 0.157 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1 1802497539 ITZXITNBOUSSJB-WTVRISBWSA-N 437.504 0.628 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808454699 LBNPKYLAGLGEQP-YLJYHZDGSA-N 426.477 0.889 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2NC(=O)C3=O)[C@@H]1c1cccnc1 1810027034 QXBZVIYWHKBJDT-XOBRGWDASA-N 446.419 0.624 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1811795623 XPFUVTPRGUALDR-IRFCIJBXSA-N 434.500 0.866 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817294483 AMAJKNJOMNGPQI-BDKZABQWSA-N 446.512 0.771 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813129 OOFWSVVXQDUJHN-WFASDCNBSA-N 445.509 0.796 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)CC1 1823835669 XZJQVTFLMBIWEF-VXOKQSJXSA-N 430.549 0.991 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825248073 IJFVSANLWWFADR-VIFPVBQESA-N 427.433 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C(=O)OC)CC3)sc2C1 1825272649 UIXLLLJKZRSEDG-ZHRWSRJISA-N 432.502 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccn3)C2)C1 1829766283 PUSBNUOOJGDDDU-QATSOJGNSA-N 428.489 0.318 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1830410428 PPXKSTPDLYKFAC-NVXWUHKLSA-N 435.525 0.959 30 20 ICED NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469719 FAZOMTMQZSBGCC-OAQYLSRUSA-N 433.892 0.413 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)[nH]n3)CC2)CC1 1833075477 QIGIRBPENKOXDY-PLNGDYQASA-N 428.537 0.762 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3OC)CC2)CC1 1833967650 CXMCCFXYLIPFSL-INIZCTEOSA-N 429.521 0.709 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccon2)CCO3)ccc1F 1834488830 DWUHBPCSPAUXPG-OAQYLSRUSA-N 428.420 0.998 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2NC1=O 1834763764 WZUBQKLPQOUVOV-QKKBWIMNSA-N 428.445 0.390 30 20 ICED N[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1cccnc1 1835098690 OLOYIPQOCSUFEX-RCZVLFRGSA-N 448.523 0.980 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835950168 RLLSCUAWYZJGNN-JBYIUTFZSA-N 433.505 0.909 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)s1 1836076334 HLIBYRQQYRMONZ-AEFFLSMTSA-N 428.580 0.800 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836097739 HZZGQHHLTOSMLF-UHFFFAOYSA-N 437.504 0.578 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836240186 AKLXAHVAMHMXFH-DJJJIMSYSA-N 427.404 0.721 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CCN4C)CCO2)C1 1836570091 PEQJWVZTEYQZSC-KOSHJBKYSA-N 441.528 0.787 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C4\C(=O)Nc5ccccc54)CCO3)C2)CC1 1837323135 UXDJZXGMKAKQTR-XHAORJAKSA-N 436.468 0.782 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440673 SYPHDXLIEZJXGS-XMHVBLFMSA-N 446.552 0.579 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837487504 YERLHUAMKFKRBJ-HNAYVOBHSA-N 439.463 0.945 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837637745 OLMAFCIIOCQEOF-LJQANCHMSA-N 430.509 0.369 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755688 ADPCVLJXDSTKEF-AOMKIAJQSA-N 448.520 0.586 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838172495 XNHQJMQYRFEWJN-JTSKRJEESA-N 431.489 0.507 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1Cl 1838596481 ZEHMRTHLKCXXKE-IBGZPJMESA-N 430.852 0.714 30 20 ICED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735912 BEWVNOCQAWOXAJ-JLTOFOAXSA-N 444.517 0.913 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)n1 1838738015 LFNMDNNUOWVEMR-OAQYLSRUSA-N 425.445 0.679 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905579 NJUIODQCWGIXKN-KSFYIVLOSA-N 428.489 0.543 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839173726 INKXMXOZVWUHES-JOCHJYFZSA-N 447.488 0.675 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839224884 RCEMBWWPOSOSPH-CXAGYDPISA-N 435.424 0.354 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839491682 VSVOHVLXMBZBKD-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633973 YRPRZLRGRBGBID-XXBNENTESA-N 439.516 0.759 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c(C#N)c1 1840014956 NWINCXXRFNWLMY-REWPJTCUSA-N 443.500 0.745 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cc[nH]c4cc3Cl)C2)C1 1840042737 MHKQDDSXYUDZLD-NRFANRHFSA-N 445.859 0.979 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902388 CJNHCMWALFFZQH-MBSDFSHPSA-N 427.501 0.675 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)c(C#N)c1 1845139778 FBDYSQWXTWXKJW-OAQYLSRUSA-N 429.473 0.929 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1845252240 OMYXXVUHLRSZFK-ZIAGYGMSSA-N 431.493 0.997 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1845861491 NDFKFRDVWDBMSV-SJORKVTESA-N 442.516 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512600 QQSHDXNSSCMIEQ-HRCADAONSA-N 439.509 0.583 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CC[C@H](Oc5ccc(C#N)cn5)C4)CC3)ncnc21 428796807 NSKUARFHARKIBG-KRWDZBQOSA-N 447.503 0.432 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(OC)nc1 440398292 KRZAONLZEQPNQR-UHFFFAOYSA-N 440.481 0.470 30 20 ICED Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1S(=O)(=O)NCC#N 440671866 LHLFPOWYWOIEGC-CVEARBPZSA-N 425.532 0.979 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN(c3ccc(C#N)cc3Cl)CC2)n(C)c1=O 444786339 UFENUPARFRCMNW-UHFFFAOYSA-N 427.896 0.781 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)n1 477033683 LTFZLWFCNIWBOO-ZDUSSCGKSA-N 428.514 0.693 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@]2(C#N)CCOC2)c1OC 484319368 ZTSQWEFTRFENSO-GOSISDBHSA-N 425.463 0.137 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 496368602 ZBLXVNUDJPBEKW-UHFFFAOYSA-N 428.581 0.591 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 499722675 YRZBCOOIASOKJJ-MRXNPFEDSA-N 449.458 0.616 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[nH]c21 504889086 MYBPPCUJSVMYAI-UHFFFAOYSA-N 425.424 0.654 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCO[C@H](C(N)=O)C1 508492601 WRQDJITZLNMLDI-KRWDZBQOSA-N 446.533 0.606 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 512728854 IUQJSXJQPSQKNY-UHFFFAOYSA-N 426.546 0.175 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C1CCN(C)CC1 512735368 XLRFDCACVQALCS-UHFFFAOYSA-N 428.562 0.422 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)cn1 512987046 LXUXLJOQMBEMTL-UHFFFAOYSA-N 436.451 0.899 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 513752523 USGFLGWPESCWGO-UHFFFAOYSA-N 445.505 0.961 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 532468582 ABUBDZAEAUMSEY-UHFFFAOYSA-N 430.509 0.074 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 534602541 LQENKSYKMAHBBL-QGZVFWFLSA-N 427.526 0.745 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CC(C)C 541074177 PNRRJVYWKJTLED-UHFFFAOYSA-N 429.498 0.367 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 559664880 PTYYSYCGPZBVIE-FQEVSTJZSA-N 440.548 0.312 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 571811929 FDIYWUZYBWBOIU-AWEZNQCLSA-N 433.442 0.121 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)nc(C)n1 573639483 BZSVSIODWFHFMA-UHFFFAOYSA-N 448.531 0.794 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 577739430 MALASUMMYMQOBK-UHFFFAOYSA-N 438.575 0.792 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)CC2)c1 577881763 SZVHRKSXWHIDHI-KRWDZBQOSA-N 436.447 0.663 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 578792761 MTFYZCVCVWOHFP-GOSISDBHSA-N 431.512 0.819 30 20 ICED CNC(=O)C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 582506514 IALWQSOCQPZJDT-PMACEKPBSA-N 447.495 0.769 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2=O)cc1 588868291 BMSAVQWJNJUNBH-WOJBJXKFSA-N 439.516 0.099 30 20 ICED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 588869089 XUUOOFPIDPBCGT-KEYYUXOJSA-N 434.518 0.055 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CC(N)=O 589157077 IXAPDKNEJZAHJV-UHFFFAOYSA-N 440.344 0.947 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610810995 MVCPUQGAIBIKSF-PTAUBWNISA-N 433.490 0.062 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCOC 725762465 OFUAMKJPGZNFLW-UHFFFAOYSA-N 433.505 0.660 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1=O 726043649 ZGXJRFXVTLNOAQ-AWEZNQCLSA-N 444.444 0.267 30 20 ICED COCCN1C(=O)c2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)cc2S1(=O)=O 734578207 NCHCILHIMAWRNY-QGZVFWFLSA-N 443.437 0.733 30 20 ICED C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccccc1C#N 753653592 JJWWIGXZMLKXMK-TZMCWYRMSA-N 432.458 0.594 30 20 ICED COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1-n1nnnc1C1CC1 754181892 LAGOKZZOQLUKKW-UHFFFAOYSA-N 447.459 0.982 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c1=O 755626735 CFVCNDYDVZBYSV-UHFFFAOYSA-N 445.589 0.690 30 20 ICED CNC(=O)[C@@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)c1ccccc1 762771027 VXWRMVYPJMKWIT-NRFANRHFSA-N 439.516 0.888 30 20 ICED N#CC1(NC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCCCC1 767552879 YEYJXHZJPYNJEH-UHFFFAOYSA-N 428.493 0.791 30 20 ICED COC(=O)C[C@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 770163244 GRPZCDIEYDGWMC-HRAATJIYSA-N 428.445 0.992 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1 771079552 ZLFRIKTVAKOBRA-UHFFFAOYSA-N 427.504 0.302 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C=C)c3)c2=O)c1 772299832 CBDSGFMJUOUDRD-UHFFFAOYSA-N 427.489 0.959 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)CC1 782908057 XSGRZYBYYGQJDD-UHFFFAOYSA-N 428.537 0.451 30 20 ICED CS(=O)(=O)N1CCC[C@H](COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 786489572 UYOOLOWCRWWOOJ-AWEZNQCLSA-N 429.520 0.707 30 20 ICED Cc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1S(=O)(=O)N1CCOCC1 790390510 QSHKPLPRENBORL-UHFFFAOYSA-N 425.492 0.537 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(Br)c(S(N)(=O)=O)c1 797401645 KWCBCJMLAMKRCJ-UHFFFAOYSA-N 448.324 0.975 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798546098 NWWQGJHSRZILSO-INIZCTEOSA-N 425.482 0.706 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 800778020 WOYFZCQJORVEAF-ZIAGYGMSSA-N 444.558 0.804 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnc(S(C)(=O)=O)s1 803397820 AYFSVVGXURDSKL-SECBINFHSA-N 430.489 0.223 30 20 ICED C#CCN=c1nc(N2CCC[C@H](CCC(N)=O)C2)[nH]c(N2CCC[C@H](CCC(N)=O)C2)n1 804425129 SGNTUJHAMJEUAF-IAGOWNOFSA-N 442.568 0.302 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 804893602 FQTDUUZKSWZOPS-UHFFFAOYSA-N 437.585 0.764 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnccc2C#N)CC1 805718722 IRFXPPPIUQYUQJ-UHFFFAOYSA-N 433.446 0.248 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 807842912 YCYXMMGURHZLRM-SFHVURJKSA-N 429.521 0.399 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(Cl)cc1 810471795 ZEFZLHJPXSOMAF-KRWDZBQOSA-N 430.896 0.644 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(O)cc(C#N)c3)C2=O)cc1 811188240 XGDYLIZQVQNHLS-OAQYLSRUSA-N 438.396 0.928 30 20 ICED C#CCN=c1nc(N2CCC(F)(F)[C@@H](CO)C2)[nH]c(N2CCC(F)(F)[C@@H](CO)C2)n1 812480297 AAGOBNJQBXCSQT-CHWSQXEVSA-N 432.422 0.246 30 20 ICED CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 913241589 IGYPBALZWXTHTF-GFCCVEGCSA-N 433.442 0.880 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)ccc1F 914659299 QMIPJZPVWRNLMO-UHFFFAOYSA-N 441.481 0.574 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CN1CCCC1=O 1116323638 QXUKBMWYJYIEBC-ZBFHGGJFSA-N 436.534 0.239 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1288816266 LBTBOSJGBVIGHM-KGLIPLIRSA-N 444.583 0.453 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1316539992 SFMJNIFZJQCEQI-KRWDZBQOSA-N 436.451 0.962 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1455915109 JLEFWAHOLAUUST-ZDUSSCGKSA-N 445.501 0.919 30 20 ICED CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1515862209 NDFUKHHABPUIPD-ARFHVFGLSA-N 425.559 0.491 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1547630165 VTFMBYJONHDNFA-SFHVURJKSA-N 435.492 0.818 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 1667719512 QGDUPQSJHAJKNG-UHFFFAOYSA-N 428.493 0.609 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1748171541 NGDXSOCXTRLDED-SFHVURJKSA-N 449.519 0.953 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1771361889 RPZXMEZNFRTCRN-MRXNPFEDSA-N 435.554 0.678 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@]4(C3)CN(C(=O)C(C)(C)NCCC#N)CCO4)cnn2c1 1778523347 SXMAFSCODLLXGK-QFIPXVFZSA-N 439.520 0.763 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1778999518 GNEVJRKHJKLCBI-LAUBAEHRSA-N 436.629 0.460 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1779061020 NCOYKPAPCQYXLE-HKUYNNGSSA-N 432.439 0.828 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1779318832 OEZHKMQZQGAGLA-CGYQNGNCSA-N 442.516 0.908 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1779446489 SYDYVHDHZHPHIG-CCZRKIPMSA-N 442.472 0.137 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779680946 UAWAJGXAAXBCEM-LHSJRXKWSA-N 448.476 0.740 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1781264406 ZAVRGVRRCMTYGK-BEFAXECRSA-N 430.523 0.006 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1782058775 HLIXZOKGGSVSQS-GHTZIAJQSA-N 431.514 0.887 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194234 FCRSZCLWOVRVOY-OAQYLSRUSA-N 425.445 0.831 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810371 NCMNRYOONZBBNE-RRPUWOKSSA-N 426.517 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1783531771 VBOHUOFNQHXFJV-UTIXKJGASA-N 442.520 0.115 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)cc1C#N 1787428578 DANVVINQMRPFOO-CAIZAGQASA-N 429.521 0.225 30 20 ICED CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)C1 1789741870 DSFSMLDNBNGEQO-MMXRTEOQSA-N 436.553 0.837 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790143424 XOACKISJTCQUBC-TUFLPTIASA-N 442.516 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1nc(C)cc1C)C2 1792491347 NWXLURSLQVEMCI-DBXBBDQRSA-N 429.521 0.338 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795601242 WUGLTNWVIHSOGP-PJVZLEMVSA-N 446.548 0.613 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)nc2n[nH]cc12 1796051767 KJFKZHVKWCRQLZ-JRATXPSKSA-N 431.880 0.853 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1ccccc1=O 1797933520 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CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907410 KIOGOMRSFCRVLW-KNQAVFIVSA-N 447.557 0.671 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469559 BLJZJHDJWRAQMJ-OPAMFIHVSA-N 447.919 0.673 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCO2 1830742664 KEMOUFAKVNJWSQ-AVYPCKFXSA-N 445.582 0.922 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1831214974 FMOUCNYTIPJYRR-LJQANCHMSA-N 438.406 0.979 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831427510 RYRVCOKHDMHTDP-KSFYIVLOSA-N 432.521 0.570 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCS(C)(=O)=O)CC1 1832394786 WFHWNMVAPXAWBN-JTHGQSKGSA-N 439.578 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834609699 LHBNHCDVGZLOGZ-QJKPHDSHSA-N 444.488 0.480 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835359827 KUJUNFHNWYNEBH-IBGZPJMESA-N 432.868 0.985 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2)C(F)(F)F 1835707887 SYMXBQBWMOBUDO-CRAIPNDOSA-N 428.411 0.656 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1836152675 XXAKKLGTGJVJMO-HRAATJIYSA-N 439.476 0.070 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1836499022 QHVVIEQWNIYXSS-VNZMSGEBSA-N 441.528 0.196 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491222 WOEJBQIITYFPJM-QHCPKHFHSA-N 442.516 0.554 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837525015 RNUTVSVFVNBWRN-KDGIGMFRSA-N 447.492 0.384 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)C1 1837633848 SZPXZBCUWOOBIR-OIUIXCLQSA-N 443.500 0.875 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1838434614 DDNFLFFFWJXYNN-LJQANCHMSA-N 434.537 0.830 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838908819 WKVOVYWNYZEMAM-QHCPKHFHSA-N 436.468 0.972 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949754 RROIJUDWOXDDKD-HSZRJFAPSA-N 442.516 0.791 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839175401 GZMBEYUPUWINOW-XMSQKQJNSA-N 437.537 0.294 30 20 ICED Cc1ccc2[nH]c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1840042763 NNUOCAIESDXAFM-JOCHJYFZSA-N 425.441 0.634 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840428243 FTCWQQVVLSHONX-DENIHFKCSA-N 434.537 0.958 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccn1 1840441030 UBFXYWBZHRNCDK-LAUBAEHRSA-N 432.525 0.182 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)C1 1840571883 VOAATVMMHLWLHJ-OAQYLSRUSA-N 432.908 0.843 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316995 XTZFRQXBWSOZSW-BTZNOAQDSA-N 428.449 0.781 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316996 XTZFRQXBWSOZSW-XYHOIZSOSA-N 428.449 0.781 30 20 ICED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846256011 IYHXIPCOCGFAHY-UHFFFAOYSA-N 442.553 0.869 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2cc(C)ccn2c1=O 1847261872 KHTKIZXBRMXOTL-VMLVWOMUSA-N 435.484 0.677 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512484 SFQBAXQKSOVJGQ-CAOSSQGBSA-N 425.526 0.647 30 20 ICED C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 409484842 MJGJAUTYFVRLRR-RHSMWYFYSA-N 428.536 0.688 30 20 ICED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCCOc3ccc(C#N)cc3)n2)c1C 434926093 YCHOCWRQXOYWSX-UHFFFAOYSA-N 449.471 1.352 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441949619 SAXJXMJUQKAAEX-GOSISDBHSA-N 441.553 0.992 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447413709 QCYQDRUMJCIVCO-AWEZNQCLSA-N 436.451 1.340 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 460618977 NOJUSFGQGCHFPL-UHFFFAOYSA-N 435.410 1.483 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@H](CO)C2)cc1 464103776 YVPLYKOBENEYKI-ZDUSSCGKSA-N 431.461 0.908 30 20 ICED COc1ccc(CN2CCCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2=O)cc1 467936770 DHQNNPQTOKJFGL-UHFFFAOYSA-N 438.488 1.313 30 20 ICED CCc1nc(CN2CCN(CC#CCN3CCN(Cc4noc(CC)n4)CC3)CC2)no1 472593660 ZIHAVIXGKWIAOE-UHFFFAOYSA-N 442.568 0.516 30 20 ICED C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 473481560 NUXRYAJXUIDINZ-HNNXBMFYSA-N 427.484 0.964 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 475453350 MTNLABLQOCNVQY-OAQYLSRUSA-N 443.479 0.962 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccc1 476240369 FPDVKMGUFGUUKM-UHFFFAOYSA-N 434.521 0.813 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 481583423 QWUANSUQEIKWJR-KRWDZBQOSA-N 446.547 0.884 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482565200 XMTPNNRHUWXMMF-CYBMUJFWSA-N 426.523 0.976 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)cc1 490115270 UGMJHQYYICXIQM-UHFFFAOYSA-N 431.493 0.670 30 20 ICED C=CCNc1nnc(S(=O)(=O)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)s1 492068549 OBWRAOZRUVRWLF-UHFFFAOYSA-N 441.520 0.489 30 20 ICED COc1ccncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498957369 KTGVBNIUSCSNFH-UHFFFAOYSA-N 429.458 0.433 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 500685042 ZBKQBPUUMYFRNF-UHFFFAOYSA-N 432.481 0.646 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)CC1 512464340 WOTSUPKAVHBBOW-QFIPXVFZSA-N 440.592 0.613 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1O 520465933 YOWXNGJNPUEZEH-INIZCTEOSA-N 433.486 0.518 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2F)c1=O 523089599 QHLCMKSGCJJZBY-UHFFFAOYSA-N 433.505 0.741 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 524281881 FBPPBZDNZHHUNA-UHFFFAOYSA-N 448.932 0.094 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 532856651 YTZSCGJQZPIXID-FQEVSTJZSA-N 435.550 0.994 30 20 ICED CCc1onc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533962815 OTTWPGBDBSVPDH-UHFFFAOYSA-N 431.474 0.889 30 20 ICED COc1cc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1OCC(N)=O 537706708 UALSXUDVLDBXMN-CQSZACIVSA-N 426.477 0.940 30 20 ICED Cc1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N 538813879 JDDYTBXCHNMPDY-MRXNPFEDSA-N 441.469 0.800 30 20 ICED C[C@@H](C(=O)N(C[C@@H](C)NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 543073686 CSZHVDYMVLIICQ-OAGGEKHMSA-N 446.475 0.973 30 20 ICED N#CCC1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 543825250 RAIXROCECKHDBP-LJQANCHMSA-N 426.473 0.792 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 546202255 AXLHCJLJGWVNQW-HNNXBMFYSA-N 441.448 0.784 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 550259840 VXPZIBYMMWTNFT-HOTGVXAUSA-N 441.531 0.031 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccn1 565126109 NBCSUQOMAIAYOL-UHFFFAOYSA-N 437.504 0.254 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)cc1 573269484 KEYPWTBIUUQXBD-IRXDYDNUSA-N 434.518 0.701 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 580734383 ARLOYHDRAPDJMC-ICSRJNTNSA-N 427.549 0.212 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)nc1 581030276 WFLBLKVNSVSJST-OALUTQOASA-N 426.521 0.361 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O 589160135 CGEXCHFGPXFHCE-OAHLLOKOSA-N 447.582 0.886 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCn2cc(CO)nn2)n1 589431176 QFFFBSOBWRVMEX-UHFFFAOYSA-N 428.840 0.626 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 603587130 JBIDEMXJSQANNB-YTQUADARSA-N 448.520 0.570 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 610951286 BMFLJKHTVKERTB-UHFFFAOYSA-N 445.505 0.629 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1=O 623209548 SKHNPQIHWNCSDM-GOSISDBHSA-N 427.505 0.458 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CN2CCCC2=O)C1=O 726401728 RWGDWQBISRGZOO-DOMZBBRYSA-N 431.518 0.864 30 20 ICED CC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 728030563 FCCITCJYMHHLKD-IBGZPJMESA-N 433.490 0.711 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCC)NC(=O)NCc2ccc(F)cc2)CC1 728532960 PAUAIUCDFQRMDZ-LJQANCHMSA-N 431.512 0.687 30 20 ICED C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(S(=O)(=O)N(C)C)c1 732461037 KUXZDEIZIGASQY-OYLHUBKDSA-N 435.506 0.824 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 733202320 QAGCPWSZDJLITJ-IGSNOVCDSA-N 426.564 0.883 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734435102 YQAISKSFHXVJLL-SIKLNZKXSA-N 426.517 0.498 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743727994 IORRNMBNQNPKAU-UHFFFAOYSA-N 447.538 0.927 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)CC1 747993670 PHFYWRHSAAQRFU-UHFFFAOYSA-N 425.533 0.755 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C1 755533725 CVOYJLJTRDLWQO-OCCSQVGLSA-N 426.437 0.476 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758077465 WIIFOCBZODMJAM-UHFFFAOYSA-N 447.463 0.800 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cn2cccc(C#N)c2=O)CC1 758206350 OCQLRVIKELLVOT-UHFFFAOYSA-N 434.474 0.680 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 769923495 RPSDTYPTZHDPIK-UHFFFAOYSA-N 444.469 0.657 30 20 ICED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C1=O 776139072 OTJAWTMLTAGSEU-IBGZPJMESA-N 436.490 0.766 30 20 ICED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782130275 HZOHYVCTWZOSRU-UHFFFAOYSA-N 429.458 0.657 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)C1=O 787748621 RAPHFVLVNZTJKI-RNODOKPDSA-N 428.445 0.956 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807536232 PRZMXGKFYRFTCX-MRXNPFEDSA-N 425.482 0.949 30 20 ICED CC(C)n1c(S)nnc1CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810395364 PMJHEIOQTAFANF-UHFFFAOYSA-N 425.478 0.897 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2ccnc(N)n2)C1 810770191 IMKPIEVAEKWGHN-ZFWWWQNUSA-N 430.490 0.809 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278722 IGOJUZDTVYUTLN-GFCCVEGCSA-N 432.452 0.713 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 918954092 OWSHLHSJVYYCSA-UHFFFAOYSA-N 425.463 0.432 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 1222703028 XXODJKZCHLUMPH-UHFFFAOYSA-N 427.461 0.247 30 20 ICED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 1296805689 JDXKVROMDHBPNJ-LJQANCHMSA-N 429.454 0.802 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 1342583192 JHYJAQOOJVHTSS-INIZCTEOSA-N 445.501 0.938 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1345216751 KENIPIDGGALBBN-AWEZNQCLSA-N 439.538 0.441 30 20 ICED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1512546321 OBYBOSLVQNHVPD-FOIQADDNSA-N 447.517 0.503 30 20 ICED CC[C@@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1513169002 ILDPVXCKNTVIPX-KGLIPLIRSA-N 425.559 0.933 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OCC(N)=O)c1 1742835871 RTUBSPXBAZTGRV-HNNXBMFYSA-N 447.503 0.876 30 20 ICED CCN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1746311561 ZTNDJVWKXYBHTM-LSDHHAIUSA-N 446.599 0.448 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1751984305 YZOZXPGNGLLFBP-MRXNPFEDSA-N 437.504 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1778972081 SQFBIMBTSHHCIU-JTSKRJEESA-N 431.489 0.869 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)NC1CC1 1779103184 OBGBMYYHIRYPIC-XMKISXEISA-N 434.493 0.180 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779202530 VGJVLSDQNNXIRL-GEEYGDQWSA-N 445.476 0.379 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397186 OPOYZPWUAPCPLM-YCRNBWNJSA-N 445.560 0.820 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780122351 CLSQAAHEEXDUIA-FDDCHVKYSA-N 430.501 0.930 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781097402 CGYKYEIBLHMBNI-JPYJTQIMSA-N 425.533 0.638 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793937 XMWKORSRCCFQCZ-KSFYIVLOSA-N 427.505 0.904 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782223994 YCXIIROODOERTK-FOIQADDNSA-N 442.534 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCC(O)CC2)C1 1782325713 PIQFIZLSIYXGNU-SPWOIQFSSA-N 433.549 0.910 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782557652 DDUDVWJYUJARIV-VGOFRKELSA-N 431.537 0.753 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2)C(F)(F)F 1783203706 CMAZGJKRCDLUSD-KRWDZBQOSA-N 427.383 0.189 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1783429311 DXHCEGKWHOMWKV-FGZHOGPDSA-N 446.504 0.605 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783452468 MGCIXENYERDTLM-NYHFZMIOSA-N 447.488 0.161 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCc5nc(O)nc(O)c5C4)C[C@@H]32)C1 1783459242 GTQALVDEBSOAGL-BDFQZXNOSA-N 442.516 0.939 30 20 ICED CC(C)(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783557586 IIEWACPGHPSFKG-NRFANRHFSA-N 437.493 0.598 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644610 HWMIPHKAFPEINQ-RTFZILSDSA-N 449.548 0.990 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382138 TYPVHZFCUCQGFH-FGZHOGPDSA-N 445.472 0.383 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539072 GSFZWOLJFARRCP-PBHICJAKSA-N 431.605 0.631 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1786001280 ZIBUMQCGIUOPLD-OVWQWFNUSA-N 445.520 0.920 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1789891777 QTDGZTQIZMRKCA-YYTPORGASA-N 448.516 0.819 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)n[nH]5)C[C@@H]43)c2c1 1790327785 HKAMHHVCSRPMHD-JDFRZJQESA-N 435.444 0.770 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655116 MYACNQUXAZENMC-CVYDXHPNSA-N 432.477 0.948 30 20 ICED O=C(/C=C/c1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791698889 XYQADTMDIYKLHU-GAUJNPPTSA-N 443.504 0.999 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1793351146 HAKLCJCAEFWLBP-DMUMMCEESA-N 440.493 0.054 30 20 ICED O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794116796 GQABKBXGCVXXJB-GBFHVWRSSA-N 444.513 0.780 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)cn1 1796563438 ZWVJFFXTVFOJAA-WSOVOLMPSA-N 440.456 0.784 30 20 ICED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)o1 1797811562 AXJCCMCUZDYMML-VZEXOLIBSA-N 448.476 0.970 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C 1800801550 MFJZFMSIEUNXFS-KRXQYRFLSA-N 439.509 0.609 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800990805 ZMVPEIXZTNJFMD-DYOREFPFSA-N 437.537 0.781 30 20 ICED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801300183 VKKHZNBXEFQXHS-OIBYFYHYSA-N 438.510 0.015 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801868362 OCDALPDTUDRWAZ-NFWAQSGPSA-N 429.498 0.638 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801992323 DZAJOJFQJWGGCZ-XOIINTDNSA-N 440.416 0.472 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1801994598 VBJIIITUFFYOIR-YVWYUNDQSA-N 433.486 0.344 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1802125466 ZROAPFLWQPLOBQ-XMTFNYHQSA-N 443.504 0.596 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1807048595 RMYYDWTZXBTWID-SVFBPWRDSA-N 434.500 0.866 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@@H]2c2cccnc2)CC1 1808405861 PCTNJVUHPSRPIC-MJGOQNOKSA-N 445.545 0.817 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1813039954 PIJWITQWFMSLBV-NORZTCDRSA-N 427.490 0.451 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815067212 VPAHEAFYRNEACE-BXUZGUMPSA-N 444.492 0.972 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774618 KMKVRRMNLYVYBA-CTRIVLPBSA-N 435.554 0.974 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)Cn3cncn3)sc2C1 1820061345 TXGSQZKSYCKPHV-WJDZFGBRSA-N 443.533 0.841 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)[nH]n1 1822202523 URLMDHUJYACPSJ-FMKPAKJESA-N 427.461 0.891 30 20 ICED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825115583 GEQPDBHKTLZXDH-ZIAGYGMSSA-N 440.591 0.998 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828912771 IZWNSVGKQWZYFI-TZVXIOESSA-N 434.585 0.671 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829756202 XEHSAUGJACKKBI-SFHVURJKSA-N 431.478 0.163 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1829764484 NDQSYWSIXZMXSG-KOIKXXGWSA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1829766383 VVGBYKGAGLXILS-DYRFGFBLSA-N 445.520 0.140 30 20 ICED COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064111 FRMFJIOLFBFYBJ-OAQYLSRUSA-N 441.525 0.062 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1831386170 AUIYMPWOGHYWOS-IERDGZPVSA-N 434.493 0.230 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1831396165 ACIOYTBLIGCJCN-MGPUTAFESA-N 440.447 0.695 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1831399205 REPSHAWGUYCZAK-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1831426605 HVSMGXRFIHINGN-KSFYIVLOSA-N 446.504 0.701 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832355461 OOWZRAHGRIAELH-VGSWGCGISA-N 432.521 0.538 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567079 GJUMNMINIAXDJC-VQIMIIECSA-N 442.513 0.807 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834089292 MCAZKALICYFPMN-UHFFFAOYSA-N 430.557 0.282 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)c1 1834602582 GAHMLHOZICWOCE-UHFFFAOYSA-N 447.561 0.974 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835286813 JFLIICIGLNVYKM-CVDCTZTESA-N 444.532 0.458 30 20 ICED Cc1nc2sccn2c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835624294 IGJRNCWKWNZXGP-UHFFFAOYSA-N 443.529 0.977 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836783964 FZRULLODLQZKFA-WAIKUNEKSA-N 443.500 0.842 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1836862777 XXZOTXNJGGMCBW-ZHRRBRCNSA-N 438.521 0.639 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837244866 YYJDIHPRYWDMNX-JPZYQRIQSA-N 447.557 0.981 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1837303278 OSMIYKWRIIOZDG-OPYAIIAOSA-N 442.578 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1837393684 YWMYONNLWFRTEL-VGSWGCGISA-N 439.553 0.178 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1837395134 QGWAGACBFPBVQL-VGOFRKELSA-N 448.520 0.518 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837403552 NNXUZNUEUIGWEW-CVDCTZTESA-N 442.516 0.977 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838072982 QSEYCTPXOXUPRS-NRFANRHFSA-N 441.444 0.136 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838731824 AZRKEVXTHIGEQI-HXUWFJFHSA-N 430.440 0.451 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1Cl 1838738133 SEYFCXCOCGUPAU-LJQANCHMSA-N 432.868 0.657 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839116460 FUDOFSOUVHOKHO-XXBNENTESA-N 433.549 0.500 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c(C#N)c1 1839132561 JAMKMXARXZMVRG-OAQYLSRUSA-N 441.444 0.263 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1839175121 QEXQGQCSBLEXLI-OAQYLSRUSA-N 435.477 0.871 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839228648 KVYSYFMLEDHHSK-PGRDOPGGSA-N 449.552 0.837 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485911 BLRJOBKOYNDQPV-QFIPXVFZSA-N 441.488 0.930 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839885745 OPPOPMZZZXZFSC-QFIPXVFZSA-N 428.489 0.463 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](S)C(C)C)C4)C3)(C1)C2 1840004680 KPVNPMDNUSQPOZ-SDDUFFJTSA-N 440.562 0.741 30 20 ICED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040199 RLYBIVKARDGNGB-SFYKDHMMSA-N 442.468 0.343 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840294619 GHHDYWOWQJKPBP-PXNSSMCTSA-N 426.535 0.214 30 20 ICED C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840393601 VXTNUFLIQIJLBW-QRWLVFNGSA-N 433.486 0.107 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)ccc1F 1840609004 JAWFRHGDMKPPPT-SGAADRECSA-N 443.475 0.589 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840900942 UREMVYHAMAIWGD-UZUQRXQVSA-N 442.516 0.811 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1840928835 QBBFULWRLMNLSI-RZZUAFPKSA-N 446.548 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846410297 LBAYSMHXTZMMDB-KSFYIVLOSA-N 435.521 0.600 30 20 ICED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 60630434 SQXBSCQDQCLERL-UHFFFAOYSA-N 427.486 0.785 30 20 ICED C=CCn1nnnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 64654683 IQDRHFSEAOQUMD-UHFFFAOYSA-N 427.490 0.808 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 437723222 SLWQCANPVMUACH-NVXWUHKLSA-N 446.504 0.912 30 20 ICED N#Cc1ccc(F)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 465665984 OWEMVCGMMAUQDO-UHFFFAOYSA-N 435.437 0.605 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)c1C#N 472859258 QZDUSYKZRCTAGB-UHFFFAOYSA-N 439.451 0.911 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C 483690435 GPEQPRHAJBISRC-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1 488652352 GXIBSGBSJRFPQF-JGVYIQDASA-N 431.522 0.997 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)c(F)c1 490499689 QLXBNHHGRGOLAF-UHFFFAOYSA-N 439.451 0.460 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 491075538 JCGHIHPEPKEJPS-UHFFFAOYSA-N 438.912 0.750 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)cnn3C)c2=O)c1 505659646 JYBDNKGIPFNVCO-UHFFFAOYSA-N 435.509 0.731 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 508652436 ZMWXAUXGAVNUQE-UHFFFAOYSA-N 435.366 0.619 30 20 ICED COCCNC(=O)CN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511414597 OZIGJNMYGWLJDH-UHFFFAOYSA-N 444.536 0.733 30 20 ICED N#C[C@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@@]12C(=O)Nc1ccccc12 513984999 JLRLVGFLLVYHBJ-BBATYDOGSA-N 431.499 0.951 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 523406886 XPGXLNDPBKAJOI-UHFFFAOYSA-N 427.526 0.909 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 524281333 QXDRIPGDNBMZCW-UHFFFAOYSA-N 428.470 0.812 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 535024383 KGQBBKHHARNSIF-UHFFFAOYSA-N 433.490 0.890 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 539692254 YWQGXJXOMQDUET-UHFFFAOYSA-N 436.516 0.761 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)ccc1Cl 548290006 VSCDFZHCXCSTGK-CYBMUJFWSA-N 431.901 0.466 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)CC1 550229566 DGZSEOIKDNVPDG-LJQANCHMSA-N 442.495 0.211 30 20 ICED CC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1nnc2n1CCCCC2 552988027 FSNWYHYPDJDVEE-CQSZACIVSA-N 427.513 0.840 30 20 ICED CN1CCN(C)[C@H](CNc2cc(NC[C@@H]3CN(C)CCN3C)c([N+](=O)[O-])cc2C#N)C1 557573188 KTEZXVHUSBZXSQ-QZTJIDSGSA-N 430.557 0.782 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cs1 564147501 JKOIMIHYVPFMNE-UHFFFAOYSA-N 441.560 0.498 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)n1 568454143 YUZIOKCLBZPYPS-UHFFFAOYSA-N 426.355 0.477 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)c2ccc(F)cc2)CC1 582686014 CTTBXBBNPSYIIH-LJQANCHMSA-N 446.504 0.853 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c(C)c1 589160182 GIQDLJSVIRMPPO-UHFFFAOYSA-N 447.582 0.804 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c(F)c1 608796533 PYFQHQHGLGIISY-UHFFFAOYSA-N 425.420 0.849 30 20 ICED COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 609351531 BVJHHRJASRZFPS-UHFFFAOYSA-N 439.471 0.633 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609955272 QOQWHWDBPAFUJN-ZFWWWQNUSA-N 431.518 0.730 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 612231288 FIAZJDBUUNGOIC-LHSJRXKWSA-N 443.460 0.359 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O 729674199 FWEVBQWSLJAJIT-UHFFFAOYSA-N 437.518 0.123 30 20 ICED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN([C@H](C#N)C(C)C)CC3)C2=O)c1 731847620 YFIDUUMCLBVLST-XMSQKQJNSA-N 442.520 0.659 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2C)c1=O 732663276 MTTOIJCPQDAIQX-UHFFFAOYSA-N 429.567 0.943 30 20 ICED N#C[C@@H](C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)N1CCS(=O)(=O)CC1 732907945 GHWGDSOMQBVESZ-ZDUSSCGKSA-N 428.426 0.109 30 20 ICED N#Cc1ccsc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734038169 DCWCYMXPRGULDA-LBPRGKRZSA-N 448.482 0.802 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)C1=O 736129452 LXPORBDUJUVCKC-OLZOCXBDSA-N 438.481 0.840 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nn[nH]n2)c1 737267307 HMFPSLWXFOCREK-JCMHNJIXSA-N 434.482 0.048 30 20 ICED C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 747807971 BAUCLQGJVLPNPK-UHFFFAOYSA-N 437.522 0.401 30 20 ICED Cn1cc(Br)cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1=O 751347863 ZZGGEOMQVWHDCI-UHFFFAOYSA-N 425.264 0.825 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 755489468 PGPQYFVDPVCXQL-LAQRGFTBSA-N 427.482 0.135 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 755821714 HXGQSONHVNOFQU-CYBMUJFWSA-N 432.506 0.558 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758077123 RTFYFGLPEQOYMI-UHFFFAOYSA-N 427.869 0.730 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 758758826 JXJLZMKUADPHRY-HOCLYGCPSA-N 443.508 0.771 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 764295718 XYGJQOUDQAAOQU-HDOZFUISSA-N 449.489 0.101 30 20 ICED C[C@@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)NO1 765380284 ZKFQMJGNHGTNBR-MFKMUULPSA-N 437.927 0.660 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 767625577 BKORRBYKOWZJRH-WMLDXEAASA-N 443.481 0.888 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 767638603 YTJKUAVOPDYXJH-KRWDZBQOSA-N 449.529 0.590 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc[nH]n1 772642204 UWJIPJDYZKCBPU-QGZVFWFLSA-N 427.461 0.953 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 782987657 PSTRSWKFEKCXLV-UHFFFAOYSA-N 428.529 0.857 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 783015084 ZZGXDSAMXIJEJJ-UHFFFAOYSA-N 429.564 0.881 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)[C@H]1CCS(=O)(=O)C1 783479538 CXAMUFMUSMJVBU-SFHVURJKSA-N 443.525 0.963 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H](C)CO 786018083 CCGVPTYKOREZMN-STVHITGKSA-N 440.522 0.028 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)n1 789788691 MSVMQQIPLVURCQ-IBGZPJMESA-N 439.472 0.032 30 20 ICED C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796232594 KUJPQKTYYQBQTH-JKSUJKDBSA-N 447.513 0.940 30 20 ICED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 806781182 LOCGLKBVIZFQLU-CUTVRFLISA-N 435.510 0.889 30 20 ICED CN(CC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)S(C)(=O)=O 809124884 SPBCKQHJWPIRDT-UHFFFAOYSA-N 428.261 0.156 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809504383 KAPBWXNMGURDSI-UHFFFAOYSA-N 429.521 0.586 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]43)CC2)c1C#N 809527672 UVKGFXMUIDUMRX-OWCLPIDISA-N 434.591 0.745 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NCCC#N)o1 915248823 CWINNTSQONLJEH-LBPRGKRZSA-N 427.435 0.182 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 916195984 JAAZOOOKTDRTBK-UHFFFAOYSA-N 448.888 0.923 30 20 ICED Cc1nccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 918452804 JHJFNAWKXAAIGU-JJIBRWJFSA-N 430.490 0.853 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](CNC(N)=O)C3)CC2)cc1 1115877012 UMJOFGZYHUZART-MRXNPFEDSA-N 433.534 0.866 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1158230268 NXYZKAQZLJABOS-GOSISDBHSA-N 425.532 0.543 30 20 ICED C[C@H](CCN1CCN(C)CC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255096109 QFFFLJJIRUTVGS-VQIMIIECSA-N 426.521 0.905 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c(=O)n1C1CC1 1307383870 KEQFNTKAAVGACQ-UHFFFAOYSA-N 436.472 0.901 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4nc[nH]n4)CC3)CC2)cc1 1557366152 IWQNTKKEUAVAGY-UHFFFAOYSA-N 443.533 0.421 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N1CCN(C)CC1 1558847350 JGMOCHOYFCGRSL-UHFFFAOYSA-N 439.310 0.988 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1620150003 ZNHGWDPGYMEYMU-OAHLLOKOSA-N 441.579 0.887 30 20 ICED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCN1C 1629590984 LJNNSERYEPIXRW-OXJNMPFZSA-N 433.578 0.709 30 20 ICED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1686943156 PBMYRZGWBASSQY-KRWDZBQOSA-N 443.533 0.814 30 20 ICED Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)n[nH]1 1693365024 MZEHGKPRGNRNNY-UHFFFAOYSA-N 448.535 0.696 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1706070785 NZHYTYXMNWZWER-ZIAGYGMSSA-N 425.559 0.933 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1712109164 JPYOLECLPOOEOZ-IBGZPJMESA-N 440.504 0.964 30 20 ICED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1722758962 ODAUNZQWJWWZNU-KGLIPLIRSA-N 425.559 0.885 30 20 ICED COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1769845198 JZUJTAQQVBLOCR-UHFFFAOYSA-N 441.540 0.907 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)ccc1F 1777830517 DGHXZRYFLUIQLE-JOCHJYFZSA-N 449.446 0.821 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065494 UGCWSLFCKPMPEC-XMSQKQJNSA-N 429.521 0.443 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1779100466 CDCVZSAGPGSZEO-JLHBBBICSA-N 435.481 0.713 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122687 HLJBVELOSNFHLK-QRWLVFNGSA-N 435.481 0.344 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(C#N)c1 1781177460 XILZAEZEJFZPHS-JTSKRJEESA-N 426.473 0.075 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1782011160 OHCWNCUVDWJYPC-JTUHZDRVSA-N 445.516 0.379 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cc(C)cn3)C[C@@H]21 1783533294 SYCULHWGIADOAI-REAYBDLQSA-N 429.521 0.591 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC)NC(C)=O)C[C@@H]21 1783535477 KCZKKHZHPZSAMN-YSMJTFFMSA-N 434.537 0.129 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1)c1cccs1 1784338704 ICNHQGUSQUMBLD-YADGQWAMSA-N 429.502 0.999 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375484 BDZYXGJAVQOIPX-JOCHJYFZSA-N 439.472 0.823 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788628101 UCMCABOLJGQYCW-FPSMNIFISA-N 431.537 0.830 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccc3)[C@H]2C1 1792244302 NXEHOUDCLCWHKU-XYYCENQHSA-N 441.528 0.823 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)nc1)C2 1792490282 SYLLJAVZTLIGKH-KAXDBTLWSA-N 427.505 0.209 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@H](O)C1 1792519577 UQYNUQXQXZEQGF-ZHCJQAHYSA-N 449.504 0.331 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CNC(=O)OC(C)(C)C)ccn1 1794427643 DJYSWJWQCZSSKD-HGKCTWBKSA-N 428.489 0.943 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)O2)C1 1795077313 BWMAPJWSAVMTRM-DFGXFYAUSA-N 448.520 0.658 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1797237904 XOXVTOMEKSPIGY-BBIADKPPSA-N 443.523 0.077 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nc1 1797782630 FBZDOVNJHICZFG-UPHUGPLXSA-N 427.501 0.992 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1810565172 NGTQBKZWVSLEDM-CEXWTWQISA-N 427.505 0.932 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812349427 LLTLRWAJMYBHEQ-CEQIKUNHSA-N 439.472 0.700 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1812879156 QFLQDOAMHDAUEG-BTYIYWSLSA-N 439.428 0.501 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)/C=C(/C)C(=O)O)[C@H]1c1cccnc1 1814090207 XLWXGTGFFGMVIX-RBWBAYBQSA-N 426.473 0.977 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2)C(=O)O 1815079948 BLVHESQICGRTJL-AJKOWKAASA-N 433.490 0.830 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815769709 SLPOMGIAJUKWOF-MCIONIFRSA-N 432.481 0.573 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1 1821281447 RRZYUMDEGZOXHZ-SECBINFHSA-N 428.455 0.857 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529361 CUDVKAAKURNNKY-HNNXBMFYSA-N 441.492 0.609 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801135 WZGCTPCIYHKEGK-RDJZCZTQSA-N 429.454 0.369 30 20 ICED O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)C(=O)N1 1828995800 QFZYGPAXCKFUBM-KCDOPAPYSA-N 443.504 0.870 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)C1 1829669883 LPFPMGIODLMISM-JOCHJYFZSA-N 439.472 0.126 30 20 ICED COc1cccnc1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209005 GFLWZJAQHNZHPD-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831398577 HJRXLHBHVDMCMH-QVKFZJNVSA-N 447.444 0.409 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1831402993 VCZPSEQVXOZLEB-GAJHUEQPSA-N 443.500 0.753 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832046963 PKSMOPZNNLJXSU-HRAATJIYSA-N 436.509 0.756 30 20 ICED CC(=O)N[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)(C)C 1833402747 CMAMFWLQOUFYKF-HXUWFJFHSA-N 434.537 0.197 30 20 ICED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)c1 1834440378 NXANGVAYPUEUHF-QHCPKHFHSA-N 437.500 0.995 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715551 QRVJLJWMFMPRGD-QGZVFWFLSA-N 448.612 0.755 30 20 ICED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834897740 VNYZKPCQEUPMNX-VQYZLWMVSA-N 447.540 0.379 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNc4ccccc43)CCO2)C1 1835707989 BFLYZGKGIAPYAQ-LYHRCORUSA-N 427.501 0.690 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836982236 MBNDETLDDQIQRV-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1837392589 FJBOHQPLOBSLEN-HTAPYJJXSA-N 433.505 0.028 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837441992 KQSGVRFFJUPOHV-DUYDGHCJSA-N 431.493 0.329 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524619 KTMZUYAUGMURRP-RETMYHCQSA-N 434.493 0.624 30 20 ICED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C 1838150538 FXDLRDOGVJYLEU-NRFANRHFSA-N 426.477 0.795 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1C 1838832320 VTEQQBVRNWJSLV-QFBILLFUSA-N 426.539 0.453 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1839173742 JAVIFODZQUGFFU-JOCHJYFZSA-N 433.505 0.913 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204093 HMSSKLNSLYFVMD-HRAATJIYSA-N 441.525 0.295 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839227570 UDBJLBHDVFOCKV-BTYIYWSLSA-N 448.476 0.681 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581653 VDESBPSTKUZHMG-WIYYLYMNSA-N 436.578 0.933 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839890783 SYIWYONCBCODRX-SFHVURJKSA-N 426.420 0.523 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCSC)CCO2)C1 1840198358 AUHPEIACUNXEGU-GQIGUUNPSA-N 430.567 0.130 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2)c1cccs1 1840607339 AXFWDMSWEASRRZ-GWBCNSSESA-N 446.525 0.836 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5)C3)C2)CCC1 1840815280 HHNYXANKYKXKHD-QHCPKHFHSA-N 438.484 0.945 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc[nH]c5C4)C3)C2)CCC1 1840816424 RWMZVZGQRWPAEY-OPAMFIHVSA-N 427.505 0.665 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1841054050 GEOZCJFMBPJUFU-SREVYHEPSA-N 439.516 0.594 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C[C@@H]2C1 1846107841 QASUOJFDNKZBKY-QRQCRPRQSA-N 431.489 0.925 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1847068803 INZCOWCCGVKXBT-CABCVRRESA-N 436.509 0.169 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCOCCOCCOCCOC 1847813950 YEPUVLSFEYCXNH-UFYCRDLUSA-N 442.553 0.866 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cc1 64303687 SHTGPXGSFSPFSM-UHFFFAOYSA-N 430.477 0.841 30 20 ICED N/C(=N/CCNS(=O)(=O)Cc1ccon1)N1CCN(c2ccc(Cl)cc2)CC1 304804025 QLKPODJDUYGIPA-UHFFFAOYSA-N 426.930 0.884 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 409561034 IONZRZJCJCMRHR-KRWDZBQOSA-N 429.587 0.263 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 410163769 ZYSUWLOZKPCKSI-ROUUACIJSA-N 429.587 0.406 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1N1CCNC1=O 427587520 OLVHHDNANKZPJJ-OAHLLOKOSA-N 448.487 0.862 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 431319286 PZZUGIJVMZTGSH-CHWSQXEVSA-N 435.428 0.938 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Br 432943615 IUGDPZPCRNCDKD-UHFFFAOYSA-N 427.324 0.906 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 434377455 OBFUARTXMGBTCM-GDBMZVCRSA-N 427.486 0.651 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 435248985 RDKIBONUCHTAJL-CQSZACIVSA-N 430.896 1.515 30 20 ICED CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 437968547 DLHCCFHXRNCECO-IBGZPJMESA-N 448.545 0.713 30 20 ICED CCOC(=O)c1c(NC(=O)NCC2CN(S(=O)(=O)CC)C2)c(C#N)cn1CCOC 439698206 RMXWIGFBYDIXKT-UHFFFAOYSA-N 441.510 0.586 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1C 440388074 VOFUBBMLKVTKCZ-UHFFFAOYSA-N 437.481 0.295 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCOC1 441943065 RXNHNNABGQMMMG-HNNXBMFYSA-N 425.510 0.760 30 20 ICED Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 443269873 CIGLQHBCRLGQOL-HNNXBMFYSA-N 448.487 0.862 30 20 ICED C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443334102 LPCHISPRIZAKNW-ZIFCJYIRSA-N 434.562 0.872 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460706808 RTWSJMFHODISEA-CQSZACIVSA-N 442.443 0.476 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)CC1 466718704 OIVWLYHFLOZWMD-NCXUSEDFSA-N 430.530 0.500 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)c3cnn(C)c3)nnc12 481878546 OMWDGHPIAZGOJM-OAHLLOKOSA-N 439.501 0.906 30 20 ICED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 486121438 OOVBPPKJTIWSOJ-INIZCTEOSA-N 433.515 0.627 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2=O)cc1 488603075 RHPLBKUHGBLYIY-GOSISDBHSA-N 449.467 0.668 30 20 ICED CCCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 498127928 WMZRSLRAIOPAEB-UHFFFAOYSA-N 430.490 0.477 30 20 ICED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 498863109 YJQODLDRVIWEAV-CYBMUJFWSA-N 426.433 0.192 30 20 ICED COc1ccncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 498950374 HSCHNFMVODSAHX-UHFFFAOYSA-N 429.458 0.433 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 506655677 LEPLAOMNBSRDDC-SFHVURJKSA-N 439.476 0.834 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 507922591 KZOLMUZGGBPRKO-WOJBJXKFSA-N 434.562 0.326 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508875047 SZDRUTHQLWQLBQ-MRXNPFEDSA-N 448.535 0.896 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 519954550 BCWUMFCQJWMRBG-UHFFFAOYSA-N 435.484 0.875 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H](OCCO)C2)CC1 548733546 ZYSZMIVCMYRAPL-MRXNPFEDSA-N 429.477 0.928 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 550183469 DMJHSQFTHBNJBM-CALCHBBNSA-N 428.537 0.606 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 550203059 XIKLRWFZWRCXGT-IRXDYDNUSA-N 428.537 0.606 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)C1CCCC1 551259260 MYQXZWOFYQINDH-UHFFFAOYSA-N 430.490 0.929 30 20 ICED CN(CC(=O)NCC(=O)NCCN1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1 552356622 FLJSWZGQYANJQH-UHFFFAOYSA-N 435.550 0.287 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1S(=O)(=O)NCC#N 557305969 JJMSOHSHMZVTKM-DNVCBOLYSA-N 444.517 0.622 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 561548433 YEGDSCURVLZVQH-MRXNPFEDSA-N 443.895 0.830 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2)c(F)c1 561784676 ONDXOHGUZFOWLE-HZPDHXFCSA-N 430.484 0.689 30 20 ICED CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581033889 UBSPZQVDSOFKRG-FUHWJXTLSA-N 425.489 0.687 30 20 ICED COC(=O)C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 589073648 BJGACIVSWPZEHD-KRWDZBQOSA-N 435.502 0.749 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O 589161647 WOTAFLNYABMJQK-GFCCVEGCSA-N 439.584 0.639 30 20 ICED CCn1c(CCC(=O)N2CC(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 590486355 ASRAOEHCSBBOKF-UHFFFAOYSA-N 431.518 0.992 30 20 ICED Cn1c(NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(C#N)c(=O)n(C)c1=O 603864518 ANDPGRHGEQAMBC-AWEZNQCLSA-N 433.490 0.025 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)C1=O 623209517 HCLIFSOESAUAMS-IYBDPMFKSA-N 428.489 0.889 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 728572431 CVJFDOJSAQMUCU-HXUWFJFHSA-N 428.533 0.734 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCS(=O)(=O)CC1 732121610 SDVMMOKANSJLTA-OAHLLOKOSA-N 427.548 0.787 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 732913113 UTYLNMUDDRWTMX-UHFFFAOYSA-N 429.458 0.864 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734035572 IYZYFEJFHPGUHV-KBPBESRZSA-N 436.490 0.238 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)CC1 749640609 SVCHBLYIYPLPNH-UHFFFAOYSA-N 434.518 0.301 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)C[C@@H]1NC(=O)NC1=O)CCCC2 751576007 DMYMIWCXCBGJHC-DOMZBBRYSA-N 443.460 0.497 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 757587328 IGDYWUWVLUUPDE-LSDHHAIUSA-N 441.496 0.611 30 20 ICED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 758585128 PGXHKQUXJBHINF-CQSZACIVSA-N 427.482 0.913 30 20 ICED C[C@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCCC1 762766858 FZOJJFBDQLPUSH-INIZCTEOSA-N 431.537 0.802 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1ccnn1C 765653192 WSPQVAANRCBEMG-ZDUSSCGKSA-N 439.519 0.378 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1F 766342606 IYVGFEWDCIEZOZ-QGZVFWFLSA-N 438.525 0.669 30 20 ICED CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769210860 BBUNINOQJPQQEK-SFHVURJKSA-N 443.481 0.696 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 771287966 OJCSFSGIOKLXTG-OAHLLOKOSA-N 439.501 0.387 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3cnn(CC)c3)c2=O)cn1 772301479 LSYWODJLAVLHCJ-UHFFFAOYSA-N 449.540 0.974 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1cc[nH]n1 772348772 YDXFAWOTBDBBDG-ZDUSSCGKSA-N 434.453 0.665 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778570541 NUPRUVKHQMDJHA-UHFFFAOYSA-N 440.435 0.732 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1Cl 785662754 ZWSCRGJNCOAVLD-OAHLLOKOSA-N 434.880 0.874 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786427184 IPHXGUITPITSPV-UHFFFAOYSA-N 426.477 0.567 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)n1 790106128 RYHRBNFFKFZBAB-XLIONFOSSA-N 448.545 0.528 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CCN1Cc1ccccc1 806708416 KPNLFGTYOCYATM-OALUTQOASA-N 428.489 0.261 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 807328181 MYTXHMRXHLCYKN-HNNXBMFYSA-N 443.822 0.854 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807349251 DUDVJCIAVHFVLE-JSGCOSHPSA-N 426.470 0.891 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C1(COC)CC1 811160889 PYTVLPGIWSCBFI-AWEZNQCLSA-N 443.547 0.909 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cn1 813563031 GEERTLALNYOFCR-DZGCQCFKSA-N 437.570 0.427 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 838166274 PIJDJXDRMPYOTL-ZDUSSCGKSA-N 446.485 0.119 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCOC 917768759 LNUDWUNXQFKTIR-UHFFFAOYSA-N 436.559 0.367 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)nc1 918662807 USOPBDKJMJXWLD-KRWDZBQOSA-N 440.891 0.929 30 20 ICED Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCS(=O)(=O)c1ccc(C#N)cn1 1117483377 KHZBIYHRCKZILS-GFCCVEGCSA-N 441.560 0.625 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1208124190 NAOJMLZLIUSVMA-CYBMUJFWSA-N 428.536 0.700 30 20 ICED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)C1 1296954693 ZZEPYDWJKWPDGB-XVTSOASTSA-N 440.570 0.948 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1300830710 JOKYQAIGTQWLFB-JTQLQIEISA-N 445.347 0.717 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CCC(O)CC1 1319091072 UKJIJRAYHHSOES-QZQOTICOSA-N 427.505 0.969 30 20 ICED CN1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503682808 YEZRIACOGUYSOI-RXVVDRJESA-N 444.561 0.755 30 20 ICED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)S(C)(=O)=O 1515706161 INFLQLLDWUITAY-QGZVFWFLSA-N 445.549 0.800 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1540982618 WAZKIBFFAOLKAQ-UHFFFAOYSA-N 431.522 0.377 30 20 ICED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555297767 PHGBFHGYBGBLHX-HUUCEWRRSA-N 442.542 0.060 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)c1 1629268803 WTTRGSDTTYQBFO-GOSISDBHSA-N 438.463 0.344 30 20 ICED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1692726998 YNBJRZARGFRJPU-KRWDZBQOSA-N 437.552 0.944 30 20 ICED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOC1 1729941948 OWOGIRCJAOEVPX-KSSFIOAISA-N 426.543 0.824 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCOC[C@H]2C1 1740747522 MNSRGACFMPRQRX-CQSZACIVSA-N 425.331 0.830 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSC(F)(F)F 1741944491 MVXHFCPQUMCZSL-ZJUUUORDSA-N 428.462 0.870 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745201294 NVPNUJHMNJQYHO-SZMVWBNQSA-N 442.568 0.958 30 20 ICED CCNC(=O)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CCC1 1746491828 WRXHRHCLEZMEEH-UONOGXRCSA-N 425.559 0.933 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)c1ccccc1 1778000565 ULTCVRCVJHUUOX-VMIIQTFKSA-N 426.561 0.984 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779017784 VKQMEUJGLXTLQA-XOWGOQOESA-N 425.493 0.645 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1779022014 WOOGCUXGKVAAFJ-JEUZPXFCSA-N 430.461 0.540 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594607 ZRQKDMBFRVACGJ-YWZLYKJASA-N 434.518 0.330 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)ccc1F 1781297023 MQVHIPVMTPLGPD-HSZRJFAPSA-N 444.507 0.792 30 20 ICED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781795345 BTGFTBXFPRHAFL-DENIHFKCSA-N 433.549 0.725 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)cc1 1782316253 QMZUWDNYZUBKGT-WZONZLPQSA-N 436.468 0.611 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(C)c1 1783081109 KKYJXKJPLOVCOR-WZONZLPQSA-N 442.468 0.997 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783898475 SCYKEPJWMBHHQE-VHKYSDTDSA-N 443.566 0.507 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1784193260 OJLOZMGCTNOBKO-JTSKRJEESA-N 437.537 0.896 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(OCF)cn4)[C@H]3C2)c1 1785687003 JHQXAPOARHFOFO-ZQIUZPCESA-N 428.424 0.889 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)c(O)n1 1786673650 MVQKVKATQDEBIE-FZDIXFNVSA-N 442.516 0.778 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788724716 GDNLYGUDZNHNJL-ORZPOWQVSA-N 431.541 0.366 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789710161 ROFACPCIASEHSX-DHMWGJHJSA-N 438.575 0.190 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1789953853 LEMCMFBBZLSHHW-WSMBLCCSSA-N 433.465 0.569 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C 1796386586 HOOGAUCEJZPPMQ-ZQOJQMTGSA-N 437.537 0.918 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799753371 AHEVWBWYNGWXSB-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804350417 YMGMTQOKVADMFT-IPYPFGDCSA-N 439.394 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cccc(=O)n3O)CC2)C1 1804851645 PCXFHNCTLOWRKS-FPLPWBNLSA-N 428.489 0.789 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3c3cccnc3)c2c1 1808268938 WTYVHTJUTUZDGE-RIFZZMRRSA-N 432.488 0.435 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1809667274 YPXQPLJKHVGNPE-PZJWPPBQSA-N 440.548 0.801 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1810247386 WGSGTBCHVMCEGX-DWRORGKVSA-N 432.521 0.723 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1829267715 ZJADTGHTFMISMS-QFIPXVFZSA-N 442.472 0.428 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCN2C(=O)OCc1ccccc1 1829310411 XKBSNSJWPZUTRS-JPYJTQIMSA-N 438.484 0.208 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(Cl)cncc1Cl)CCO2 1829605615 PBUMCPPKMNBEPP-GOSISDBHSA-N 442.255 0.546 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)cc1 1829635954 SCZMBVFIIAGFLS-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831386330 FEZJQCQNGKEXDC-VGOFRKELSA-N 431.489 0.127 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831395993 FICKDPAWPMOJKV-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1831399688 YZPDPLACGFSMMU-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1831411033 KBVVYOAYQMXJOG-XMSQKQJNSA-N 439.553 0.730 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1831488600 XXTMWAUDMKZOGT-CUWPLCDZSA-N 436.578 0.882 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832760337 RDMBRRCXALJAKY-JOCHJYFZSA-N 442.472 0.745 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834075837 VKKKBNOCIINOHZ-UHFFFAOYSA-N 432.525 0.510 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(C)c1)CCO2 1834285260 NAZUIXCLPJZJEQ-QFIPXVFZSA-N 431.489 0.969 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1835099068 YMEOPCYDSFKWFQ-DEOSSOPVSA-N 445.479 0.851 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)CC1 1835349813 ZIJZSZBPYKHKAG-HSZRJFAPSA-N 440.500 0.567 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835420829 BQEMLFQNHPORMA-XMMPIXPASA-N 448.560 0.958 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835750325 VTZGQXMWDPBTHU-UHFFFAOYSA-N 442.564 0.548 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)s1 1836078967 KYVRPJWAXABTPE-QFIPXVFZSA-N 440.525 0.897 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836781746 WRHQFTQBPXNEAV-OPAMFIHVSA-N 445.520 0.299 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837247931 IFYPEGWACSHWKN-KOIKXXGWSA-N 435.521 0.260 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837403913 WCRAUBINGIEPFA-AUSIDOKSSA-N 442.516 0.977 30 20 ICED Nc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837442029 MHWSUHREFZXZST-AZHVYHFMSA-N 436.538 0.267 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524792 MYKZSOHMMXGXHS-UZWDYZERSA-N 449.508 0.502 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)c1 1838071451 QHUMOJHGKKQFTO-FQEVSTJZSA-N 429.408 0.510 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc2c[nH]c3nccc-3c21 1838482802 ADGZIFMXTGLBEO-QFIPXVFZSA-N 436.472 0.990 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580576 KUCONJFZVXHXGP-QFIPXVFZSA-N 445.472 0.590 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1Cl 1838595493 RSCNCZCZGHXWCZ-KKSFZXQISA-N 446.891 0.560 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1839174595 LTWFKRHXSYJRRG-QFIPXVFZSA-N 448.520 0.319 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839239946 NACAWDUZTAQIBB-JOCHJYFZSA-N 446.552 0.307 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839582577 GPSBFHHDEMJHDS-WZONZLPQSA-N 446.548 0.552 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)C1 1839807412 YPACZQGXUHZBME-JOCHJYFZSA-N 442.447 0.898 30 20 ICED C[C@H](Sc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040107 OBPJTPJRLPJKFK-KKSFZXQISA-N 432.498 0.712 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840157107 FXGLHPCJVWQHHA-IFXJQAMLSA-N 442.559 0.478 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840166476 KYUOGJBZDMDKTB-NRFANRHFSA-N 445.545 0.902 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840293861 ZGWBAYSLABILFD-QFIPXVFZSA-N 430.505 0.929 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841601549 UOPDXQZLYZJWGZ-KSFYIVLOSA-N 435.521 0.912 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138038 JXQBBMVJZXGMTJ-HNNXBMFYSA-N 448.545 0.641 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@@H](C)ON=C(C)C)C2 1846257264 XLAAGIRUQWILFY-GOSISDBHSA-N 443.541 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1CS(C)(=O)=O 1847262834 JYASTXLDPZMNRL-LUNNPTDRSA-N 446.529 0.300 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847512794 WPHPASCQIWKBAH-HUVIEFCWSA-N 437.541 0.546 30 20 ICED O=C(CNC(=O)C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848013427 PQXAXWLSFLIDHQ-BQBZGAKWSA-N 437.268 0.222 30 20 ICED C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 23635742 DUSOKAICYWJCKM-BBRMVZONSA-N 436.490 0.784 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCO1 410422754 ZBJNNQUFJRRNKT-ZIAGYGMSSA-N 429.296 0.391 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434812830 FOXFBAVGUUAHMQ-HNNXBMFYSA-N 441.506 0.410 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1 442505028 GDNXUAHLHCLZNN-ZBFHGGJFSA-N 425.507 0.430 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461821444 YXNGBERIWORIJH-BZUAXINKSA-N 426.543 0.918 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 465236531 PPOAEQKASFXHMZ-CQSZACIVSA-N 427.469 0.050 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(F)c1 465415908 JPHVXLUCJHTODU-LBPRGKRZSA-N 426.408 0.950 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccsc1 479361592 BLEJCEKROSVILR-UHFFFAOYSA-N 442.522 0.630 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C3CCN(C)CC3)c2=O)nc1 489020756 YOWOKMRUKNMDQL-MRXNPFEDSA-N 438.553 0.989 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3CCN(c4ncccn4)CC3)C2=O)cc1 504010499 NVQFNEIQVHVPHA-FQEVSTJZSA-N 448.531 0.965 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)CCC(=O)NC 508808508 HJEUGHGXVPMWMH-UHFFFAOYSA-N 425.537 0.994 30 20 ICED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C1 508995491 HJOWYURBUVBLCK-ZIAGYGMSSA-N 435.506 0.048 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1Cl 518886649 POGYQUGVUUWSOP-UHFFFAOYSA-N 432.933 0.632 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)CC1 532597230 GFEDKRCNCSKSEA-UHFFFAOYSA-N 443.552 0.837 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 554455083 VMKBSLRSEVKLBZ-OAHLLOKOSA-N 446.451 0.654 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@@H]2CCOC2)c1 555504233 FYLJSGZOAOUGFS-KRWDZBQOSA-N 448.491 0.189 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c(C)c1OC 558461054 FCTWCXBXXSRLRW-UHFFFAOYSA-N 443.525 0.839 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)ccc1[N+](=O)[O-] 582292490 XLYSFZIXEPUDHV-UHFFFAOYSA-N 428.470 0.925 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)CC2)nc1 588806891 KIBMYNKTAMMOPO-OAQYLSRUSA-N 448.527 0.485 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 610594710 ZOENGIHBELPLRR-VFNWGFHPSA-N 425.493 0.942 30 20 ICED CC(C)(CNc1ccc(C#N)c(NCC(C)(C)NS(C)(=O)=O)n1)NS(C)(=O)=O 618153205 JSRFNVMJGZAVEE-UHFFFAOYSA-N 432.572 0.433 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 672221235 FFENZZPZNYEXLR-RDJZCZTQSA-N 429.564 0.989 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=O)NCC#N)c1 731234159 YFYWJCKSJMEGNA-UHFFFAOYSA-N 434.268 0.170 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)C)c2)c1=O 732797364 PHFOADSQXRRUSQ-OAHLLOKOSA-N 447.561 0.378 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1 743254626 CBRWYCVQGAIWOD-UHFFFAOYSA-N 431.470 0.837 30 20 ICED Cc1ncc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 755888368 UWFOUIVRKBJXTI-SECBINFHSA-N 428.517 0.774 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(Br)cn2)c1=O 758060722 KKVNFAPYXXOAMH-UHFFFAOYSA-N 431.315 0.730 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 772113396 NUOZYKSVRPMCAV-JOCHJYFZSA-N 426.473 0.763 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1C#N 774484796 PXZOGBOMOVHZQA-UHFFFAOYSA-N 444.477 0.848 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)O)cc1C 777290145 LRFZUIBLUZNHJQ-ZAAXVRCTSA-N 439.534 0.929 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc(Br)nn2C)c1=O 782659878 PTZBOLIDAUNWTL-UHFFFAOYSA-N 436.291 0.386 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 783479714 NEXPLZQDFZFNTI-INIZCTEOSA-N 444.517 0.682 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2Cl)c1=O 790423304 XJONTKWXZJRUCV-UHFFFAOYSA-N 439.946 0.633 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)cn1 792345244 YYNJOVBYUYUJNA-CQSZACIVSA-N 436.350 0.943 30 20 ICED CC(C)(C#N)c1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 793106019 UKBQWNOYDGWBIX-KRWDZBQOSA-N 439.559 0.762 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)NC(=O)OC(C)(C)C 804045312 NOQYQVVXTRPEQR-WMLDXEAASA-N 443.504 0.805 30 20 ICED C#CCNc1nc(NC[C@H]2CC(=O)N(C3CC3)C2)nc(NC[C@H]2CC(=O)N(C3CC3)C2)n1 804606124 YXQCXADBEAHXDK-HUUCEWRRSA-N 438.536 0.762 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)ccc2Cl)C[C@@H](C)O1 804821405 NEEZDPKZWNFMCS-VXGBXAGGSA-N 428.898 0.507 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 807545931 NEBXDTSNWIWWPH-MRXNPFEDSA-N 445.524 0.889 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)n1 807689069 CIWHJSVGDHQSNV-SFHVURJKSA-N 439.516 0.895 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 811468675 CNQYROHTOQLTOI-UHFFFAOYSA-N 439.519 0.415 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 815860893 GBCQDLBJJCOZJR-UHFFFAOYSA-N 435.912 0.168 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 816714735 SBOIXYKAKJAJFY-UHFFFAOYSA-N 429.520 0.996 30 20 ICED C/N=C(/NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCCN1CCOCC1 849020037 YBHKWRBFOODINF-UHFFFAOYSA-N 438.472 0.856 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 899585981 GHAJXPDMMUCRCY-JTQLQIEISA-N 437.396 0.927 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2C(=O)CNC2=O)c1 914759490 PVNPDQWIWDWLDN-UHFFFAOYSA-N 441.469 0.806 30 20 ICED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 915118253 RIZMBOLRYLKTKT-NRFANRHFSA-N 430.428 0.617 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)ccc3OC)c(=O)n2C)CC1 917779465 ABNPOLZRAMIZJK-UHFFFAOYSA-N 446.960 0.776 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NC2CC2)c1 918278670 FSZZYBIRGXJRRU-JJIBRWJFSA-N 449.533 0.613 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1286969669 QSLLYHNCWUQASN-TWMKSMIVSA-N 440.570 0.758 30 20 ICED COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1315908085 ZKGSXFGMUUEVJU-OXJNMPFZSA-N 431.518 0.839 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1COCCO1 1510161440 XRPDYEJIJXIQGA-WMLDXEAASA-N 434.522 0.812 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1516232916 UWFQCSOGTGHAPP-UWJYYQICSA-N 426.477 0.806 30 20 ICED CC[C@@H]1CCCCN1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1546645477 RDHNUACFKGAIOA-BBWFWOEESA-N 439.586 0.882 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1552892353 XUGMUSYHFCFNBN-INIZCTEOSA-N 438.485 0.616 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1681228475 ZTJHSDDNSUYSCU-JKSUJKDBSA-N 436.513 0.125 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1712455232 YTVYOXOBPLVHCE-INIZCTEOSA-N 442.611 0.595 30 20 ICED C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722547954 QELFXMATJHXMRD-UHFFFAOYSA-N 438.883 0.905 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC(=O)NCC(F)F 1752282054 SQNFZJGGHRAUHX-CYBMUJFWSA-N 445.478 0.989 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779035218 BGUZKIYRJCTYDK-JOCHJYFZSA-N 443.573 0.805 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104934 POZAJSKFSZOAKH-CJLXMBDASA-N 435.525 0.627 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C#N)c1 1779645591 MIGPYYRFGSDZET-OAQYLSRUSA-N 425.445 0.682 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)[C@H]1SC(=N)NC1=O 1780597652 OHIGUZXCQHNBQX-CQURBHOASA-N 441.513 0.804 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1781263850 GKGWWMMDNOQBFK-GCJKJVERSA-N 437.537 0.877 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1781366615 KVBAZGAJRVTWPL-PGRDOPGGSA-N 426.473 0.631 30 20 ICED O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782449778 QJYNIZFXFZQESY-DRDNUIKESA-N 431.541 0.654 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1782647329 OWOQAFPYWJKGLB-OAQYLSRUSA-N 429.546 0.680 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(N(C)C(=O)OC(C)(C)C)nn1C)CCO2 1783048772 JKYIHEGUHAHOCG-OAQYLSRUSA-N 431.493 0.868 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1783165878 QXIFTYYDOSVXDJ-WIYYLYMNSA-N 439.578 0.585 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccccc3OC)C2)C1 1783324639 HFDCKRNIQAAZAI-UFTUAFODSA-N 427.501 0.926 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)N(C(=O)OC(C)(C)C)C1 1784090507 USSLZEMSXFSBID-HYFFOGBASA-N 436.553 0.977 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1C#N 1785196895 RILUMCLAEUMWDE-SFYKDHMMSA-N 442.516 0.512 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1785378553 JOFUJEGQUQDJSH-NRFANRHFSA-N 439.428 0.282 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1)C(F)(F)F 1788247450 AQJYJQINSNPWGI-ULQDDVLXSA-N 446.470 0.249 30 20 ICED 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)C#N 1792629833 ZCTRKXGLEYSFKX-GYFISPQKSA-N 442.516 0.305 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCOC 1792846908 ZKWVOHJUZVVKGE-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1Cl 1793951643 GJQHHZBIQJPRCN-DUGXABPWSA-N 432.908 0.726 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C)c1ccc(O)cc1 1794574302 VEVHXOPYBQLZDM-DCXXXQMHSA-N 437.500 0.921 30 20 ICED O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795847481 IHIPNEPNYYFKKA-UHXXWTPBSA-N 448.476 0.128 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)C(=O)O 1796444907 SIJKDPYSVXXJGM-PFIDOAHMSA-N 435.502 0.139 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2nncn2c1 1797462655 FVQWGVUBQCASOI-ZZFQSMGRSA-N 425.493 0.404 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)c1 1799745440 LEATYJTXRJMMRO-JWWGGVBKSA-N 437.475 0.866 30 20 ICED Cc1cc(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 1799803305 KLBJGVCECKDWKT-SCAQPMJSSA-N 438.406 0.748 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128402 MKGWHLOLTFBCRB-OPMZPASUSA-N 445.564 0.905 30 20 ICED C=CC[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 1800491119 OLBFGKPPIXEVQR-IBTNMTNLSA-N 430.505 0.795 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1801765243 OHQOJDOQZZHYMH-PJKMLTEKSA-N 437.504 0.850 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812881798 FITNSYJJAQLEAP-WMZHIEFXSA-N 448.479 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NC(=O)NCC)[nH]n1 1814437817 FGOBDGNJFDRVMY-SYMMMWLZSA-N 445.524 0.968 30 20 ICED CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817054442 FQDCSWZBOWGUEC-MAWIPDFUSA-N 441.510 0.975 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818017919 YGDKGNJBBHRSSR-SQWLQELKSA-N 447.540 0.604 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1820892834 GBFRHTANXFEFAJ-KGLIPLIRSA-N 446.464 0.509 30 20 ICED COCCOCCOCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822206392 WHCYQVXTNBVPQJ-MRXNPFEDSA-N 436.465 0.560 30 20 ICED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)c1 1823664089 UNDHGRNHRYGMOT-FZMZJTMJSA-N 444.492 0.972 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1830640654 AYJFMDOGEARSBQ-SIKLNZKXSA-N 437.537 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830921177 JTLJLRHANZCPAK-QHCPKHFHSA-N 445.516 0.898 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1831409353 PEJNWQHUBCDTPF-IHFIDZABSA-N 435.565 0.766 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831494536 ZHOWILANDKIAQU-PXNSSMCTSA-N 433.534 0.982 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831495909 PEIYGEHTMYZIHI-VCBZYWHSSA-N 432.539 0.959 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831497178 ACMCGXYGDOMIOW-MGPUTAFESA-N 430.567 0.987 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)C1 1832197902 COGYNWAADSZBDR-JOCHJYFZSA-N 425.489 0.854 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n(C)n1 1834158881 XLOOVMYCEALTOH-NRFANRHFSA-N 432.525 0.080 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1)C(F)(F)F 1834740092 NKZDJBPLTCJKHK-HNNXBMFYSA-N 434.459 0.739 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1835100385 QJYCHPHEVVSSNX-DEOSSOPVSA-N 445.479 0.851 30 20 ICED N#Cc1cccc(CCC(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1836646785 PBBOKPXHZCHAFM-UHFFFAOYSA-N 440.548 0.973 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1836861725 GOHUSRCDRRRFAA-INIZCTEOSA-N 446.504 0.598 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836894971 BTHVOHLHAMTFQE-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837397723 ZKPGKVPOXBNKLH-JPYJTQIMSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1837400786 PAWVWKGRLSBGQC-XMSQKQJNSA-N 433.505 0.028 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838101428 LJZOOHXIGGXISQ-UHFFFAOYSA-N 439.578 0.824 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249433 WMLBGIIQUMUHHS-UQQIOGDDSA-N 433.484 0.762 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471619 SYHSVRABRYUHLS-OYHNWAKOSA-N 443.504 0.613 30 20 ICED CSc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1O 1838566589 OJFLLCUKWSGYNO-HXUWFJFHSA-N 434.470 0.272 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1838612766 UYVPKPFJCRQACE-UHFFFAOYSA-N 430.530 0.523 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c2c1CCC2 1838737548 YOKXWHROVSDECN-JOCHJYFZSA-N 438.488 0.492 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839036428 BZFLLJNGYOAJBJ-OPAMFIHVSA-N 446.479 0.704 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1839174260 PRWMTRSRSFHGQU-JOCHJYFZSA-N 447.488 0.670 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185529 FFZHPVUOUNCOAD-SBUREZEXSA-N 443.475 0.735 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222171 GIYIGCZUWFYDRZ-MDYRTPRTSA-N 426.514 0.158 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223420 VKGUVKLSSITIAI-HNAYVOBHSA-N 445.538 0.150 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450866 LENYVBUXDDBDES-JPYJTQIMSA-N 425.485 0.975 30 20 ICED CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488699 FHPKQBASWSNBNN-NRFANRHFSA-N 425.445 0.484 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516175 DJWVJUXDPYQYGT-IERDGZPVSA-N 434.493 0.327 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840293175 LHKPHVLBKJDSEZ-QFIPXVFZSA-N 441.488 0.699 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819007 JXKWRVHNCIWDJZ-HSZRJFAPSA-N 444.532 0.782 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1845189163 APQWNGLDQXSXNP-INIZCTEOSA-N 428.489 0.913 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1846998739 VXFGZIGMPOQWJL-UHFFFAOYSA-N 428.514 0.458 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCO1 409515932 VJNVFDHNTFDNRE-IRXDYDNUSA-N 440.547 0.312 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 409556498 QMTMXRQWMFGIKE-CQSZACIVSA-N 434.927 0.115 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)cc1 442248709 HXENFKZQJQZQRD-UHFFFAOYSA-N 433.424 0.838 30 20 ICED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 447911649 FGSMXOBCXRQUBI-KBXCAEBGSA-N 443.504 0.329 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 460679844 PVUCLYGPVYKNIG-UHFFFAOYSA-N 441.513 0.778 30 20 ICED Cn1c(=O)c2nc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)[nH]c2n(C)c1=O 471014011 HFWFAMRKCPCZES-HNNXBMFYSA-N 427.896 0.996 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 479914222 NZINMUSKZVDOKJ-LLVKDONJSA-N 438.487 0.520 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 481252467 FLWYADDIYWQFNC-AWEZNQCLSA-N 442.501 0.068 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 505812109 LRAAATBDYJEIAA-LJQANCHMSA-N 448.483 0.957 30 20 ICED CCOc1cc(Br)c(NC(=O)C(=O)NCC(=O)NCC#N)cc1OCC 509015851 MBWGTPQSOPHJJC-UHFFFAOYSA-N 427.255 0.941 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(O)nc(=O)n4C)CC2)c1C#N 530416646 SQLQPAUUPYEXMF-UHFFFAOYSA-N 448.487 0.788 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 530892873 OKVORLZRKVDKJJ-ZDUSSCGKSA-N 446.554 0.534 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 550501710 YHWVREFPJQYBCB-UHFFFAOYSA-N 441.532 0.032 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 552450903 YXOFAWGHSWDJSZ-OAHLLOKOSA-N 425.507 0.795 30 20 ICED CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 555113424 ZJIRFRZVOGHDJG-UHFFFAOYSA-N 443.533 0.917 30 20 ICED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 558988930 CLJLRIGSWKDWQI-UHFFFAOYSA-N 449.515 0.900 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)C1=O 565824597 PMZLDXPYSUAFRP-SFHVURJKSA-N 428.537 0.085 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)CC1 569703801 CEXDVRZMLQTDFR-OXJNMPFZSA-N 441.532 0.833 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 570750590 OXTVWWBSAAYADQ-GFCCVEGCSA-N 435.462 0.004 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCN(C(C)C)C(C)C)CC2)C1=O 579214158 WGGCYOIXXFUSSX-UHFFFAOYSA-N 449.552 0.437 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCN(C)CC1 585736831 ZJTBSOSDLGQMKI-MRXNPFEDSA-N 443.552 0.072 30 20 ICED CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)CS(=O)(=O)CC 588871339 WYBWSTIZILLNFH-QAPCUYQASA-N 448.545 0.447 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2C1=O 604218958 PDROSSICECGDTE-UHFFFAOYSA-N 448.439 0.937 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(OC)nc1 608884369 GOTCZURFWPPKDD-UHFFFAOYSA-N 437.437 0.460 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC(N)=O 609311819 QQAWFZQPXJIBRG-NSHDSACASA-N 444.469 0.430 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)cn2)cc1 615243272 MZEJFRIVEBTQLP-UHFFFAOYSA-N 429.458 0.964 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 729281577 HZMAJMCQPYIWNC-UHFFFAOYSA-N 448.589 0.923 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 731913819 IMFDLEXYMIEVBD-UHFFFAOYSA-N 438.506 0.974 30 20 ICED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 732468293 KLGNQHMYUGTJEL-WIWAJNDWSA-N 446.552 0.535 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)ccc21 735765860 STSZNLGHMFGQMA-UHFFFAOYSA-N 426.454 0.702 30 20 ICED CCN(CC)CCN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2ccccc21 744700060 FVAYGLHPDJMJLT-UHFFFAOYSA-N 432.594 0.875 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)NCCO)s3)C2=O)cc1 745146493 QWGACSLUVVMQFH-AWEZNQCLSA-N 435.483 0.853 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)NO)cc3)C2=O)cc1 746268910 QFAFNMAIMDWQAX-NRFANRHFSA-N 426.429 0.898 30 20 ICED CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746447238 UVWAGFXFCMWXBS-UHFFFAOYSA-N 439.476 0.527 30 20 ICED CC(C)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 753868649 BPTVUXZTQJCTKT-GFCCVEGCSA-N 444.477 0.797 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCOC 755626896 FTZXJCRPXYHUTK-UHFFFAOYSA-N 429.546 0.220 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 755660941 HGPCDHJTNVQGOZ-UHFFFAOYSA-N 441.557 0.465 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758048935 BMUHCYGRQRYVLG-UHFFFAOYSA-N 446.535 0.591 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 766559638 MCBFEAVXOJGDLR-OCDBCJEZSA-N 444.517 0.835 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O 767637371 NUPVVCSXQTZQMU-CJNGLKHVSA-N 431.474 0.697 30 20 ICED CCOC(=O)CON=C(C(=O)NC[C@]1(N2CCOCC2)CCSC1)c1cc[nH]n1 772148883 MTOISHLRVFZBKI-GOSISDBHSA-N 425.511 0.018 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)nc12 784196626 ZFQYWTUHOGPCNV-UHFFFAOYSA-N 436.432 0.269 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)CC2)o1 787098254 YRWRIYAUUKRWLJ-QGZVFWFLSA-N 437.456 0.916 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 787788522 ZVZDHGVMENVNMR-UHFFFAOYSA-N 427.896 0.874 30 20 ICED COc1cc(OC)c(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 790106802 CDWOTCVPMGMVCA-UHFFFAOYSA-N 439.472 0.944 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)cn1 791051890 LKUHCSRBSVYVPR-UHFFFAOYSA-N 426.502 0.312 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 795816072 GCOQFHBWCJTPMJ-OALUTQOASA-N 444.513 0.115 30 20 ICED C=C(C)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802601302 QDAAXALVONYQDE-HNNXBMFYSA-N 431.584 0.617 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 813985203 QOUAPBBSYZGLJS-OAHLLOKOSA-N 434.499 0.859 30 20 ICED CN(C)CCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 842314472 YKKFJYKNWLVBSO-UHFFFAOYSA-N 435.594 0.991 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 914659472 UNTWOTZMBGICAF-WCQYABFASA-N 448.494 0.139 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 1115963155 YHRBXQHJUKMLNM-INIZCTEOSA-N 444.517 0.204 30 20 ICED COC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1117350385 YPVZPBCIINXPKW-IRXDYDNUSA-N 434.518 0.322 30 20 ICED CN1CCC(N2CCC(CCN(C)C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1148799533 JFTUVZUBPHVRAG-UHFFFAOYSA-N 430.553 0.865 30 20 ICED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1299318242 WAKDDAQUFOLJHH-UHFFFAOYSA-N 431.522 0.458 30 20 ICED C[C@H](O)c1cn(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)nn1 1320296409 GFIKPCLSIPGGTQ-AWEZNQCLSA-N 444.517 0.687 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C1CCOCC1 1337997728 RLPZRPZGHSBJMK-OAHLLOKOSA-N 443.547 0.909 30 20 ICED COc1cc(OC)c2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]c2c1OC 1356016497 FFKBKWDOEJAXKG-GFCCVEGCSA-N 435.458 0.773 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1541675650 SCXXDQBGFIFAGP-WMZOPIPTSA-N 430.557 0.314 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1556365519 JQLYGSUOQXJHOT-YJBOKZPZSA-N 432.452 0.430 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C 1593886099 QVSIWABVXVYOLG-OLZOCXBDSA-N 432.934 0.030 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1618842120 ISLHZWAXQITVJJ-HNNXBMFYSA-N 433.513 0.810 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1696332466 NGJNUUFQVINYCZ-KKSFZXQISA-N 427.509 0.948 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1706071736 WBWIHSIAFWQDIK-HZPDHXFCSA-N 441.602 0.719 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1711274037 MQAYALIROVACCA-PXNSSMCTSA-N 430.534 0.507 30 20 ICED COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1711432080 SAMHVJJOWWAFSM-INIZCTEOSA-N 432.506 0.755 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)CCOC1 1728796449 WDXXYPFCODDENW-MSOLQXFVSA-N 442.517 0.408 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccncc2)C1 1731016040 XCONJBMWHVIJOP-LPHOPBHVSA-N 449.512 0.691 30 20 ICED CS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1731020569 UVSPCLQJDGGIGW-BBRMVZONSA-N 434.478 0.069 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1741944100 KLNJUIRPEYQYCN-OCCSQVGLSA-N 434.478 0.394 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381199 QRNVUZVJSBDWOV-YCRPNKLZSA-N 431.493 0.051 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1780347653 RWFGTOUULKRQAX-NJNPRVFISA-N 427.505 0.279 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1780698342 DEYFENDHSJZPDG-FDDCHVKYSA-N 425.533 0.638 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)C2)C1 1781184317 VOWGAWPPIJCQMC-NRFANRHFSA-N 441.440 0.934 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1ccnn1 1781548067 PMIRUVWRCKCHSH-QIFYCKQSSA-N 448.524 0.882 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783130822 NSDYDORYFIVJTH-ZDWFVDTJSA-N 442.516 0.962 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1783924599 SXTKJPYHVVYPEM-FGZHOGPDSA-N 429.473 0.546 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785000055 LTDINYPNCPFXKO-VJANTYMQSA-N 435.565 0.942 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375621 FKAZWURHPPXDPG-QFIPXVFZSA-N 437.456 0.879 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1785577018 KCZXLXGVHLNQKB-VLIAUNLRSA-N 433.465 0.430 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1788600862 FEMZXTJLJLEGCQ-SYUINPOLSA-N 431.581 0.778 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1788660333 JJGFSXKYPIMZRH-UEQWQKHTSA-N 432.477 0.442 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788676751 FAZJMZONVJMFSE-HLCXQTRCSA-N 444.448 0.483 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509420 UDIFARCMWLANGT-DWRORGKVSA-N 430.461 0.216 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 1789890467 WCNBUZFAKGIAEK-FHWLQOOXSA-N 432.521 0.989 30 20 ICED COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328206 STBASXVPLIUUKY-ZVZYQTTQSA-N 439.472 0.981 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)ccc1F 1791348169 NBFYQPWJSWZPAT-DUPRYPCISA-N 442.491 0.746 30 20 ICED 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N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 435201441 NFWSXLQNJQCFAW-MRXNPFEDSA-N 443.489 0.104 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2)C1 438873393 ZIFAXYGKMWSMBM-ZIAGYGMSSA-N 436.490 0.617 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN([C@H](C)CO)CC2)cc1 470923810 PNUOFWMROGADMN-MRXNPFEDSA-N 438.550 0.347 30 20 ICED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 473381974 ICISPMXYLILSFZ-KHYOSLBOSA-N 430.505 0.964 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 478854037 NQAGBDCXHXISMC-UHFFFAOYSA-N 449.536 0.786 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OC 481586775 IPTMNKHTWIMYCE-CYBMUJFWSA-N 425.912 0.907 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 482406981 OGMZMUYVJIDUAN-XJKSGUPXSA-N 430.490 0.270 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3cscn3)c2=O)cn1 488973550 AJRGGLPUZHVWIS-LBPRGKRZSA-N 440.506 0.868 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490278982 YQNLPWYZJYVURT-SJORKVTESA-N 438.575 0.836 30 20 ICED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 494411026 HTIQBGDYTPWWCX-ZWKOTPCHSA-N 438.488 0.915 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503932674 YQEYPTCWFQUTIC-IBGZPJMESA-N 440.504 0.434 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)(C)CN(C)C 505699552 JMHBYGSXJIIVSM-UHFFFAOYSA-N 444.605 0.569 30 20 ICED CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC(O)(CC#N)C2)cc1 506364879 SPSHYUWJWYEMBA-INIZCTEOSA-N 427.548 0.972 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 513306659 MOPFLRXONDOANM-LBPRGKRZSA-N 438.423 0.691 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 517148208 IVOMKUKNICMACK-UHFFFAOYSA-N 448.423 0.932 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 527030544 LJKWCLDUFJEURO-GFCCVEGCSA-N 449.891 0.686 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 527145140 BLCFDJXOGLSYTE-QGZVFWFLSA-N 437.456 0.224 30 20 ICED COc1cc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 550152309 FCQHDXYCODCMML-UHFFFAOYSA-N 439.472 0.944 30 20 ICED CN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 551043111 LDXCSMAKJNODEE-ZDUSSCGKSA-N 448.423 0.930 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 551050262 QGHCGIRTWFINOI-MRXNPFEDSA-N 433.578 0.057 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 565740641 UCIONQYKUNIXHD-SNPRPXQTSA-N 435.502 0.854 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1[C@@H]1CCOc2ccccc21 579185386 UUNINBLJBZXYQL-QGZVFWFLSA-N 448.504 0.934 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)NCCCS(N)(=O)=O)n(-c2ccc(C#N)cc2)n1 585758053 AOODUBCLPIECAD-UHFFFAOYSA-N 432.506 0.775 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)CC2)nc1 587655014 WXZZZNAMRWEEAB-LJQANCHMSA-N 426.521 0.361 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589160230 HZRQSFWSHGIIPP-UHFFFAOYSA-N 447.582 0.886 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 609941211 KFRYGRTYPXFLKU-UHFFFAOYSA-N 444.473 0.358 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccnn3-c3ccncc3)C2=O)cc1 617091876 MHEWAPQHVCMTBU-SFHVURJKSA-N 429.440 0.995 30 20 ICED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C 618433609 LYGDWYSMRWKNDZ-UHFFFAOYSA-N 441.538 0.487 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 725897333 RKOUQGBQRAHTPV-RBUKOAKNSA-N 432.546 0.938 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 731854934 MCRRCPSCFFULEQ-UONOGXRCSA-N 433.494 0.397 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1COc2ccccc2O1 741343692 VEQIEGIASZWCLX-WHTWUSPISA-N 429.429 0.791 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccccc2O)CC1 741344743 RKVQOJQBMQOBNU-ANNUQZOISA-N 442.472 0.889 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 746294610 OYPJRRAIZWGNHB-HNENSFHCSA-N 427.417 0.796 30 20 ICED COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)N2CCOCC2)cc1OC 746344361 NOXMIUPSHFCVSQ-QGZVFWFLSA-N 442.476 0.552 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCCCOCC)c2)CC1 747993471 LEAHQFUTSNBTCE-UHFFFAOYSA-N 442.516 0.770 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCN2CCCS2(=O)=O)c1 754772577 FUHCGIPKUOJILH-UHFFFAOYSA-N 436.309 0.551 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762297177 XNKGVKHHXKYKEG-AUUYWEPGSA-N 442.497 0.924 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 762435126 ANBPSXYKAXDMMX-TXEJJXNPSA-N 428.287 0.482 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)nc1 762874280 KHSNHMLKESQDOX-UHFFFAOYSA-N 449.489 0.851 30 20 ICED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 772717246 MLHUMNZLZMWIDZ-UHFFFAOYSA-N 431.492 0.936 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782904433 BWAKIIAHWOAADV-HUUCEWRRSA-N 439.465 0.861 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 783309630 XKKTUCCGXONOHB-UHFFFAOYSA-N 446.507 0.212 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)[C@H]1CCS(=O)(=O)C1 783481173 OGDDFUFUGNZBRQ-INIZCTEOSA-N 432.502 0.366 30 20 ICED COc1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 784182128 XCPCYEGKJCJBPM-UHFFFAOYSA-N 437.474 0.435 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@@H](CO)O1 787905305 DSFYVKDQPKVYLX-HAPAKVKZSA-N 438.506 0.046 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 803415429 RKBUEXBLJOREOZ-OAHLLOKOSA-N 427.548 0.342 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 803579363 GZUIQMFMDYEKEP-INIZCTEOSA-N 443.504 0.267 30 20 ICED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808033844 GVFFCPYRIOFUNA-DOTOQJQBSA-N 428.493 0.585 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)[C@H]1CCCO1 809309851 HKGALUWAQIBQMP-VQTJNVASSA-N 447.557 0.940 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 815861253 YXEJMELOFKTCDZ-UHFFFAOYSA-N 426.514 0.912 30 20 ICED Cc1c(NC(=S)NN=Cc2cn(C)c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C 839387970 FFBPOFFJWQYLDZ-UHFFFAOYSA-N 427.490 0.202 30 20 ICED C=CCN1C(=O)C(=O)N(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3)NC(=O)N2)C1=O 913584108 MYVDFJZPZYPYCJ-INIZCTEOSA-N 442.428 0.843 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCNS(=O)(=O)c1ccccc1 916737096 CRLBOJZRIDLFEO-UHFFFAOYSA-N 437.499 0.637 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2c1=O 921246166 ZFGAFRWLKOHQGL-OAHLLOKOSA-N 448.570 0.816 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1=O 1160605013 QOBYZAJJZBWLGA-MSOLQXFVSA-N 427.505 0.206 30 20 ICED O=S1(=O)CCCN1[C@@H]1CCCN(/C(=N/CCc2ccccc2)NCCn2cncn2)C1 1262555364 PYQZKFFIXYLEEB-HXUWFJFHSA-N 445.593 0.966 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1305120540 VHIAUHBYXLLLTR-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2nnc3n2CCCC3)C1=O 1318175282 GZTATZLEEIWHAR-CQSZACIVSA-N 441.517 0.981 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1554123603 XNKQCIVBQFVYBE-UZLBHIALSA-N 447.517 0.503 30 20 ICED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1587714920 NLJJKVRMTGUJFK-ZDUSSCGKSA-N 426.351 0.738 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1633997363 JXBQFDDUQQZVPW-GOSISDBHSA-N 425.445 0.573 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCS2(=O)=O)CC1 1637933832 MGPRGXXXBXCVST-UHFFFAOYSA-N 440.547 0.142 30 20 ICED CC(C)(C)OC(=O)NCCN(CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](O)CO 1643534927 UUAGAHHCPHKYKC-MRXNPFEDSA-N 427.523 0.512 30 20 ICED COC(=O)[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCCN(Cc2ccccc2)C1 1644051322 YAYZFCHWMUSBFJ-OAQYLSRUSA-N 425.445 0.145 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC=CO2)C1 1698314081 VYQLQVBYYDSGTD-XHSDSOJGSA-N 438.510 0.032 30 20 ICED Cn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1711256215 MUASYQFAANAXSY-APWZRJJASA-N 448.553 0.523 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1769136939 MUKWEHRWDXYPIX-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1769242537 PWPGWGMFEOGUJG-QGZVFWFLSA-N 425.493 0.636 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1778016820 HASBBDMQFJJDPF-FUMRIQNTSA-N 437.500 0.875 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779276571 CJTFYXOHJRPZKC-HBUWYVDXSA-N 434.411 0.644 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c1 1780089243 RRYCRRDFTZWMIL-DYESRHJHSA-N 428.493 0.177 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1780172505 NXQMPGJOXJDCKQ-NQIIRXRSSA-N 447.513 0.588 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781343020 RHMJGIIUUWJKOQ-VGSWGCGISA-N 437.537 0.896 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1782196304 ZGTHCNRSECGUCM-QFIPXVFZSA-N 433.472 0.854 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1783768537 HBELVDUAPDTVED-MRUHUIDDSA-N 438.525 0.420 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)cc(C(F)(F)F)c1 1783868173 YYPGNWCMJYGYCP-CQDKDKBSSA-N 427.379 0.481 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1785574396 IVKBRVRVIBMMAR-WJONJSRFSA-N 448.520 0.012 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3cnccn3)[C@H]2C1 1788624555 MTTHNXZXZKUSCJ-UTIXKJGASA-N 442.520 0.115 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc2c[nH]c3nccc-3c21 1789186356 YYRRKWXDPPQPJT-OWQGQXMQSA-N 449.467 0.688 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573338 YGMKXXPUYVSIDA-BZSNNMDCSA-N 429.546 0.636 30 20 ICED N#Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)cc(C(F)(F)F)c1 1790256403 VYGNHBRYUPJQAM-STECZYCISA-N 439.438 0.456 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790590263 BMYOESCDKWQAQN-VGWMRTNUSA-N 434.493 0.114 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749226 LVIDETLKLATLAH-JSRQGNBESA-N 429.539 0.344 30 20 ICED C#CC(=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 1790793456 JEAKFIGFCVGPFS-JONQDZQNSA-N 437.493 0.056 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558338 UOLVSFGRKWXBSM-DEYWJSPQSA-N 427.505 0.398 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793573363 WNZXSHCAFQWGQG-NRSFXHEJSA-N 425.551 0.335 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1C[C@@H]2C[C@H]2C1 1797636375 ROPNFWSWEUESRA-YBVDHTHOSA-N 448.527 0.978 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742951 KYZTZSXXJVRREK-NPEHVYAISA-N 446.548 0.803 30 20 ICED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)CC2)CC1 1797840097 YTUJMZMNJGBCDJ-OFISNVQSSA-N 443.548 0.068 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1798471708 UYNHJJPFNGBXDZ-SOSRANNPSA-N 436.509 0.591 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1nn[nH]c1C(F)(F)F 1798711233 NAPIGRWMKQAKJX-UIDHSPKHSA-N 440.382 0.739 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1ccc(F)cc1 1799032614 YGIMTOTYXQUHBX-YUWJWYLASA-N 431.464 0.782 30 20 ICED 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)O)C2 1799322341 GYAGKISYVIQTQX-UHDSXZAQSA-N 425.526 0.816 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c(Cl)c1 1799751896 GXIVGNUJDXESCQ-IVWMJMPLSA-N 443.895 0.748 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1I)C2 1801989017 WKCKGMIPKIDLNB-ILWJIGKKSA-N 442.213 0.354 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)C1 1804856668 VDBSUPKGXPBFKI-PXDRNWIDSA-N 445.608 0.712 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806869849 PXRSTWFVNPXYHH-QFUCXCTJSA-N 437.504 0.862 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807024518 XRECPBWMDMEOEU-MAUKXSAKSA-N 442.478 0.731 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccn3c(O)nnc23)[C@H]1c1cccnc1 1808194997 UPTKUZRXVIABGM-RDTXWAMCSA-N 434.412 0.238 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)nc2)[C@@H]1c1cccnc1 1812527006 VHULAPJAALNYPE-OXQOHEQNSA-N 426.498 0.974 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1)C(F)(F)F 1812682467 QFDRLRYRHVALDW-UKRRQHHQSA-N 442.394 0.749 30 20 ICED CS(=O)(=O)c1cncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)c1 1816120834 XGHMMDPFNBKHHC-OAHLLOKOSA-N 445.457 0.602 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452615 QSUVLSAQWXNHMY-MEQMODMFSA-N 449.512 0.524 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)c1 1822026735 QCUUBQGRKXTUQU-KRWDZBQOSA-N 429.481 0.202 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC)NC(N)=O)CC1 1823744004 MLTYKXJUDNKSGT-VTFYZGIISA-N 433.553 0.911 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CC2 1825669541 NDEXQNWIICQGOW-UPJWGTAASA-N 430.486 0.544 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCOCCOCCOC)C3)C2)C1 1829673192 HBOPYNPWGSXGSZ-JOCHJYFZSA-N 440.537 0.479 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456535 LGDIJSBLZWSELO-JTHBVZDNSA-N 429.517 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1831402733 PZDVFOYIPXDHRU-YYDVJCTNSA-N 429.517 0.755 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831990710 QNCGATWAADKFEQ-OPAMFIHVSA-N 440.537 0.748 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1832460945 KNCXGATXPBTJDR-BEFAXECRSA-N 430.523 0.924 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)no1 1833427960 JGNVGBRYBYFRJP-UHFFFAOYSA-N 441.532 0.698 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833465146 NOQCEHMUHRGVTN-IRXDYDNUSA-N 441.594 0.277 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(OC)n(C)n3)CC2)CC1 1833467779 ZFEGVSZKXJKPOK-MRXNPFEDSA-N 431.537 0.652 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833960948 FMXAUCFFLPLVRY-INIZCTEOSA-N 430.505 0.309 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435033 DGPSYVZFKUAVGH-VPCWJJEPSA-N 438.506 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626504 VZMIORDKCPRXJZ-UHFFFAOYSA-N 446.596 0.462 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834671806 LQVBMELBPXKDLZ-WAIKUNEKSA-N 449.596 0.986 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)C(=O)O 1834741682 BZCXFMCZLGDIMM-FQEVSTJZSA-N 441.532 0.806 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836966599 FPPWHVALFKDFNA-QFIPXVFZSA-N 448.520 0.718 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1837524144 AAEPIZPOSYJBKB-ZISMNVMJSA-N 449.508 0.328 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533449 VGUWBKJLNWNIQU-GXQJITEDSA-N 425.482 0.522 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563707 WBRHNTKSYGGEIC-IQTGRTGDSA-N 427.461 0.567 30 20 ICED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1837732258 RUFAPPXDHWIYEB-UGKGYDQZSA-N 425.529 0.760 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1838906861 JXRFWPBYBAVXIY-FQEVSTJZSA-N 440.416 0.573 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)s1 1839035540 VBVVKEFIDVBKOC-DJJJIMSYSA-N 442.559 0.852 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C)C2)C1 1839173857 QCJKKOCRHJXCKG-QFIPXVFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839223212 PLZSJJTZIVJAJE-IIBYNOLFSA-N 441.525 0.976 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273473 FUUITLGMKORHDF-VFNWGFHPSA-N 447.444 0.409 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1 1839353082 RYLXMCOENLHZNM-VFNWGFHPSA-N 449.435 0.842 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839715365 WAXCJPYWIZOSPD-IOKPPIHOSA-N 449.508 0.177 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722076 DBAHQFDUTGTHAR-NRFANRHFSA-N 427.436 0.733 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1)C(F)(F)F 1839892904 JHXBNXLKSURPER-KSSFIOAISA-N 435.443 0.866 30 20 ICED CC(C)(Cc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040263 SLRJNOXUCXXNJN-QHCPKHFHSA-N 428.485 0.800 30 20 ICED COc1cccc2[nH]cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c12 1840044611 OBFABIFUYVONCT-QFIPXVFZSA-N 441.440 0.335 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840160965 AAOCGXFNAOVCIM-ZHRRBRCNSA-N 447.557 0.807 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1840903713 CBSLWNVWIYORDK-HSZRJFAPSA-N 442.516 0.731 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842778243 ZJYDPDXFPACTMU-AWEZNQCLSA-N 429.539 0.704 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194519 MFDCKGFXAMLCOE-UHFFFAOYSA-N 425.441 0.059 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847813504 YCVALJXFBDAEGG-JQFCIGGWSA-N 436.472 0.977 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)cc1 15545411 BLTKILDCKPZENU-UHFFFAOYSA-N 441.513 0.891 30 20 ICED CNC(=O)C1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 63330251 SRFZACBNSHOJDP-UHFFFAOYSA-N 433.534 0.879 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1C 442140220 RKPCMKJMAFNKDQ-NYHFZMIOSA-N 449.471 0.794 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCSC 443673607 IXDXQQUFCYINJP-UHFFFAOYSA-N 432.571 0.714 30 20 ICED Cn1cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c(O)nc1=O 445439155 NTUWBYSSUUJDLK-UHFFFAOYSA-N 442.457 0.976 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c1=O)CCC2 447416846 DZPLTZDBALICMF-NRFANRHFSA-N 448.479 0.719 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 467134202 SRTZCMOIRCBROO-UHFFFAOYSA-N 436.444 0.644 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1Cl 479131019 LXBBCNVYVIBMRB-CQSZACIVSA-N 428.898 0.755 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC 480290069 NQPWUMUBUKTBOZ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)NCC3CCC3)C2=O)cc1 486491610 WBQLUCGGSYRJSO-GOSISDBHSA-N 433.534 0.678 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 491051056 NWFQAXAYGJOFFZ-IBGZPJMESA-N 430.505 0.629 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 491237578 RTXTVPFQPCFOHC-ROUUACIJSA-N 443.548 0.685 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 499672676 DUCLWVUORXPIAJ-UHFFFAOYSA-N 442.922 0.454 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccsc1 505642494 WISHODWDLOWIDK-UHFFFAOYSA-N 429.527 0.268 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 506906929 DSOAALOEDGAEBQ-KGLIPLIRSA-N 432.506 0.412 30 20 ICED COc1cc(CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc(OC)c1OC 510605276 BTYQNDQKALTYBO-UHFFFAOYSA-N 429.481 0.703 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CC=C 514919533 GQUPNIVPSFIABO-UHFFFAOYSA-N 425.466 0.638 30 20 ICED COC(=O)c1nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2n1 515924710 OJYQEZNABHXXMU-UHFFFAOYSA-N 441.473 0.602 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CCN(C)CC1 516376165 IOLXTPIRSDGXFZ-UHFFFAOYSA-N 444.532 0.581 30 20 ICED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 517673706 YIGPORFBLUVMFQ-UHFFFAOYSA-N 438.465 0.853 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(CC)n2)c1=O 523733474 VLGNBXDUNBFHDK-UHFFFAOYSA-N 436.559 0.231 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c2ccccc2O1 523984224 IMSPSHJVOQOSHL-HXUWFJFHSA-N 433.468 0.747 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 546595303 UDSXKVFBMVPBRF-ZWKOTPCHSA-N 437.504 1.146 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 549638670 MIABAWMPDYPQRB-AWEZNQCLSA-N 448.553 0.285 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1=O 551054644 FGAARJIHQQUXFX-VQTJNVASSA-N 428.533 0.730 30 20 ICED COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)n2)cc1 551189100 CWAVLFFVJQWSMV-UHFFFAOYSA-N 445.483 1.494 30 20 ICED C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559000953 MGAANIQQHGFMEA-OAHLLOKOSA-N 426.477 0.589 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 560426680 QJBWSSGLQNDEEJ-HNNXBMFYSA-N 430.530 0.487 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 569274193 DUCYBUWTPNRTMS-BXWFABGCSA-N 427.505 0.001 30 20 ICED Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1N1C(=O)CNC1=O 578407125 SARMOMZRIURPKQ-UHFFFAOYSA-N 427.442 0.840 30 20 ICED COC(=O)[C@@H](C)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 608864178 INRSXLCNDPTGRQ-INIZCTEOSA-N 448.545 0.665 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C#N)C1 609268610 GSRHGOIFVMDUCN-DZGCQCFKSA-N 449.938 0.173 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C2CC2)c1=O 610574347 JEPZFLOQRRFAIM-UHFFFAOYSA-N 438.553 0.276 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610811101 YXKQXYRGRVRJBO-CFZJUORYSA-N 433.490 0.062 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC2)c1 619859538 UWKRLWBYEAEDGM-DOTOQJQBSA-N 446.533 0.961 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OCC)c(OCC)c2)CC1 728608698 QDYXNSGDRFTFRW-UHFFFAOYSA-N 430.505 0.107 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)ccc1F 731481238 PWQMDZCGQIBPRQ-UHFFFAOYSA-N 440.541 0.963 30 20 ICED CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O 732788234 QLFXAXLOGSDSKX-GFCCVEGCSA-N 432.424 0.737 30 20 ICED N#C[C@H](C(=O)COc1ccc(F)cc1Br)C(=O)N1CCS(=O)(=O)CC1 732908792 RLVMSKYAAIZLTD-LLVKDONJSA-N 433.255 0.933 30 20 ICED COc1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1OCC(N)=O 734293445 VZMXNJWEQMOYLT-UHFFFAOYSA-N 433.442 0.867 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743728756 WIHAPMLXHSWYQO-UHFFFAOYSA-N 433.511 0.537 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 743889803 QWJSCKPLPXCGJJ-UHFFFAOYSA-N 426.404 0.308 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2sccc2C#N)CC1 748098257 WLADBXDKSUJIOK-UHFFFAOYSA-N 438.487 0.915 30 20 ICED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)cn1 751268709 GNFMVZWGULRVNQ-UHFFFAOYSA-N 431.459 0.849 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 755520034 MEEXFCZGCFRRBN-UHFFFAOYSA-N 426.470 0.844 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 757900361 ZDFVWWCLVXKAAX-ZDUSSCGKSA-N 444.535 0.728 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 760261837 OMZPPKFBNBLFLF-HNNXBMFYSA-N 428.480 0.772 30 20 ICED C[C@@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCCC1 762766861 FZOJJFBDQLPUSH-MRXNPFEDSA-N 431.537 0.802 30 20 ICED COCCC(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 768353497 XIMQBXDUAAGHSU-CQSZACIVSA-N 436.534 0.647 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NN3CC(=O)N(C)C3=O)nnc12 770539426 XVPZGCUTJYWASY-UHFFFAOYSA-N 427.446 0.248 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 772110729 WWRSMJOZWUAURF-JOCHJYFZSA-N 442.472 0.382 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 772585883 BBTJARSFVKQGLE-RDTXWAMCSA-N 431.518 0.931 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 780011240 MCQLEFNCEFTIAP-IBGZPJMESA-N 447.561 0.862 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 783474236 GEHOTROWNLUWJC-KHXSAUHESA-N 436.433 0.901 30 20 ICED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 783493658 GDSAEAWOOPCURB-UHFFFAOYSA-N 447.496 0.273 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3c2OCCO3)c1=O 794647498 QTDGFUPPHLMHNX-MRXNPFEDSA-N 436.489 0.813 30 20 ICED CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 915386961 ZYDPRJJCYXRCQE-HNNXBMFYSA-N 433.465 0.915 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)CCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917010321 BCYQNBKFRZZWEK-MRXNPFEDSA-N 427.417 0.491 30 20 ICED Cn1c(C=Nn2cnc3ccc(Br)cc3c2=O)nc2c1c(O)nc(=O)n2C 920372270 YJFDCGPMXBGXIU-UHFFFAOYSA-N 430.222 0.727 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1115908569 DKQKAQNCFWRSRG-MRXNPFEDSA-N 428.445 0.755 30 20 ICED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1144923931 YRUUHUYCGVVDJM-IAGOWNOFSA-N 435.502 0.341 30 20 ICED Cn1cc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)nc1=O 1209092273 LXNSGGVMBDMKED-UHFFFAOYSA-N 426.458 0.417 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503839758 GIUJTTBPGHTRBO-QGZVFWFLSA-N 447.540 0.734 30 20 ICED Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1511565357 LEBJPPNVNALXNW-RISCZKNCSA-N 425.540 0.625 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CCO1 1521129598 LFRJKEZYMSYTQQ-JKSUJKDBSA-N 436.538 0.312 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1556365516 JQLYGSUOQXJHOT-CRAIPNDOSA-N 432.452 0.430 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1619738109 XQHNXEKINMWTBX-RHSMWYFYSA-N 434.522 0.606 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1637909332 QEPAYUMCPDBOBA-KRWDZBQOSA-N 449.920 0.595 30 20 ICED CNC(=O)c1cc(O[C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)ccn1 1643648439 ZZSOGPXORQTUQY-PZJWPPBQSA-N 442.564 0.977 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1695534797 HQCLERUEWHZWNA-YLJYHZDGSA-N 431.518 0.982 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1706075495 OSAJSLMLCWPCPG-RVKKMQEKSA-N 426.543 0.776 30 20 ICED CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1749809527 PDWWAPIGAWDNMR-IRXDYDNUSA-N 436.538 0.167 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1762303470 YEAHBFFPKYHDBA-GDBMZVCRSA-N 438.554 0.750 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1765923576 PTYUULYCVZJMSM-BEFAXECRSA-N 439.538 0.626 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1767845813 ZCBYVOHKNBAFTQ-MGPUTAFESA-N 446.533 0.750 30 20 ICED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768522426 KKGWVASTTWWZJV-IAGOWNOFSA-N 446.533 0.809 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1777845768 JFXNSVMDWJOSMM-AXSHLCPASA-N 427.505 0.761 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442932 VBBDEBMJIVVWFA-FVMUENOQSA-N 448.520 0.364 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779946968 DBWCEQCSJLGGCA-JLTOFOAXSA-N 432.502 0.791 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1780698728 LUVFBSZUTLMVHY-HSZRJFAPSA-N 444.451 0.718 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)c(C#N)c1 1781176015 FNOPXCLACQHWEB-NYHFZMIOSA-N 428.489 0.464 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1781253699 ZQIUIKMVFHXUJO-ORAYPTAESA-N 449.305 0.899 30 20 ICED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1781473815 NBGDNPJPKSNNBL-RZQQEMMASA-N 441.598 0.785 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782518279 HNFDQTVKQRKRPW-GSHUGGBRSA-N 432.521 0.942 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1 1783916053 UGEBNMXHANUDIO-SXYSDOLCSA-N 426.517 0.193 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccccc3)C[C@@H]21 1784486558 GDVWRTFVCCDQOT-VMXMFDLUSA-N 441.528 0.825 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]3C2)c(C#N)c1 1784600019 IUYSKZOXQKPOJD-QHERXFFYSA-N 442.516 0.601 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)n1cnnn1 1785382042 NYGLGDXAAFTDPQ-FOIQADDNSA-N 425.449 0.015 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)o1 1787028908 QBHJQBNXKMWSKD-JLSFHGIFSA-N 435.481 0.429 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)cc1 1787939055 GYZUNTJUDOWCAD-BZSNNMDCSA-N 431.456 0.903 30 20 ICED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)CC1 1788193362 GJTVTKXXZUSJQU-ACRUOGEOSA-N 425.533 0.399 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@H]2C1 1789950622 WBERVCDBFKFAJQ-UFYCRDLUSA-N 442.553 0.629 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790370637 CORMSEVIRJTGQL-SZMVWBNQSA-N 444.536 0.541 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccc(C)cc3)[C@H]2C1 1792250781 UOAUZNRJSDVOHC-VMXMFDLUSA-N 441.528 0.743 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 1792485860 SWGPFADMKONCPP-KZVMSLLFSA-N 441.484 0.406 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(F)ccc2n1 1797427311 CXKACBDJURFPNI-CCWDJLKJSA-N 442.495 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2sccn12 1797543713 ZKFXVEXPYANMAU-FKJOCPDWSA-N 443.529 0.766 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2 1797811670 RGGLKBSREPPBAC-YKAOGTQSSA-N 429.473 0.988 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797864992 PZPOUKOUOFHSFA-BOLBYERCSA-N 441.532 0.953 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)NCC(C)C)C3)c1 1798576762 LNDNRSDAKMGMQH-IZZQQSIFSA-N 428.489 0.542 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c(Cl)c1 1799752407 REHITJMLYQHEQV-ZTENYAIWSA-N 430.892 0.941 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800836784 HZBGQFCIFMDUGG-GNBUJSLZSA-N 428.526 0.237 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802107713 RWYSNGQHUIAFFS-NFFDBFGFSA-N 442.563 0.237 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccnc1 1812881665 YXGGKZGJFHYOCI-ZHRRBRCNSA-N 448.435 0.820 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814920011 NPMCAGBOZRPVRK-GSWKJKTBSA-N 449.537 0.424 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817247667 MYORQILWBMVEED-USGZRQEGSA-N 432.529 0.466 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)cc1 1822161161 UZMCHUIYRYDQGY-ZDUSSCGKSA-N 438.469 0.792 30 20 ICED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829341242 ZKOMQLCPUWQESC-XOBRGWDASA-N 437.518 0.068 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)C1 1829669913 NFUWJORTWCZUFG-KRWDZBQOSA-N 429.399 0.860 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830195490 GBSXKAKVEOGKFU-JOCHJYFZSA-N 445.520 0.904 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1830456697 QXWVSYLMXTZWDE-YABDQXBESA-N 427.501 0.718 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831195859 IAIBSJGJCHGKPV-DYESRHJHSA-N 425.526 0.340 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1831387562 QSXZEPHTXTXREZ-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831438381 OWRJPNXYXVYNQN-MBSDFSHPSA-N 443.500 0.985 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832051335 SVORDEDYAQZZCN-JTSKRJEESA-N 435.521 0.866 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1832458671 VFBSNYITLNKMEL-NRFANRHFSA-N 433.530 0.775 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832940638 IQYGZIKBYPYKLZ-LQWCGFJLSA-N 449.508 0.328 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1833463487 MTPXFTSOUCBLCG-MRXNPFEDSA-N 441.532 0.404 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833785795 ZVNYMMOLFPASHX-QRWLVFNGSA-N 438.912 0.773 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnn3CCOC)CC2)CC1 1835177624 CWYBWDIGBGWDBG-GOSISDBHSA-N 445.564 0.753 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835268929 VBGMXBDPKYWLLZ-UAOQYHQXSA-N 427.498 0.133 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835422427 YAAZVXZDKNGVNM-WWOVWOHCSA-N 436.553 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835667791 QDLKQFGWQCETML-HXUWFJFHSA-N 449.464 0.540 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1835672696 IALGWEDQUYMYLF-OAQYLSRUSA-N 431.493 0.139 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1835712780 CPGRVZBYIDFNKZ-KRWDZBQOSA-N 429.583 0.176 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)n1ccnn1 1835732652 TVTMJVZIFHKTMF-KHCKMINHSA-N 444.584 0.882 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c1 1836026796 KFIAIBLHLPGOOA-QFIPXVFZSA-N 439.472 0.871 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836125037 YUWHTIMLJQCKKK-XLIONFOSSA-N 439.534 0.420 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)CCC1 1837118329 YLFDYLANCURHSZ-MRXNPFEDSA-N 431.493 0.277 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1837392373 DSNUUTZMSFTVBJ-AVRDEDQJSA-N 434.537 0.529 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1837400638 JEECDHALNNUMOC-VGSWGCGISA-N 433.505 0.739 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837488562 JYHGZPAIVJGVIN-HXUWFJFHSA-N 434.518 0.307 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1837616125 VJHSWZJLFCXWHZ-XXBNENTESA-N 442.516 0.308 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1837954884 DVZGPXAOEQTZKB-HPARJBSBSA-N 442.472 0.872 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964088 OIUQCJGOKGYJHD-WSDLNYQXSA-N 428.493 0.989 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1838045050 MPLMSZKJKDODNQ-QFIPXVFZSA-N 448.520 0.562 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c(C#N)c1 1839131744 WMNYTBRETXIAOI-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1)C(C)C 1839225377 ICYCXYBZFXLRJV-MDKPJZGXSA-N 441.525 0.831 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1839451177 DDWOJATZRYFFOX-HSZRJFAPSA-N 436.468 0.884 30 20 ICED C#CC(=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 1839810833 URTFZNOODRSVHE-UTAOTPEMSA-N 433.505 0.189 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1840041111 QZPVOIMMMTZYFQ-NRFANRHFSA-N 430.432 0.402 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840160556 LFSVBQDERYLCKG-SPLOXXLWSA-N 448.545 0.265 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840246287 AQJHKORTRZENNH-JVPBZIDWSA-N 432.876 0.877 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840841210 JAWUIITXBSSOLL-QHCPKHFHSA-N 442.516 0.402 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840842650 SAKRXFAQDKIMKG-XMMPIXPASA-N 439.512 0.902 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843325295 JQMFZFPRSILYLY-HNNXBMFYSA-N 437.541 0.357 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843415111 LYDLAHDZQIAADD-UHFFFAOYSA-N 446.529 0.566 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195544 BUEJORUYIJPDGM-CABCVRRESA-N 437.468 0.873 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1C#N 1846877811 XRDFQKXYHYLWBH-MRXNPFEDSA-N 439.472 0.761 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 1846892261 CBVSGLZJQXBMOI-FPLPWBNLSA-N 449.504 0.905 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847434996 QWMMFFHXGHEEJL-JVJLKXRTSA-N 427.501 0.406 30 20 ICED COCCN(C(=O)CNc1cc(C#N)ccc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 64554024 QOPYKJJFODJUMO-UHFFFAOYSA-N 444.492 0.747 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCO1 410155893 VOWDXPQQBYDPQA-HUUCEWRRSA-N 432.499 0.038 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)c1ccc(O)cc1 436566155 VQRQULOSATYXJP-UHFFFAOYSA-N 433.428 0.638 30 20 ICED Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441375291 HTRNKCJFBACVIP-LJQANCHMSA-N 443.467 1.145 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 443075729 JKVOCSBDDHXBIN-LBPRGKRZSA-N 432.480 0.233 30 20 ICED Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444573947 UUFGGYDLGHSVJS-KRWDZBQOSA-N 438.488 1.182 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446530288 HDVABMOQYITESH-UHFFFAOYSA-N 431.493 0.167 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCc2cn3c(n2)SCC3)n1 468054230 CFARKZGKXAMUMH-UHFFFAOYSA-N 425.449 1.483 30 20 ICED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471625662 DABYWVONUVRLKV-NRFANRHFSA-N 444.513 0.313 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 479666753 YPVWPWSZIBCYQL-CVEARBPZSA-N 426.516 0.527 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 483929449 NMDFFMSOMLYAFZ-GOSISDBHSA-N 433.534 0.257 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccn(-c4ccncc4)n3)C2=O)cc1 488669809 BILFJPKSGSLDAA-SFHVURJKSA-N 429.440 0.995 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2ccccc2)c1=O 489045711 TWYHKXRVNJDDOJ-KRWDZBQOSA-N 434.521 0.995 30 20 ICED Cc1nc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)ccc1C#N 489965663 MRMYSIIWVWQLEP-UHFFFAOYSA-N 445.483 0.941 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccsc2Br)CC1 497322248 JVIYCYXVXLLMCP-UHFFFAOYSA-N 429.340 0.573 30 20 ICED CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O 498116511 YQUGJUXJECILHH-AWEZNQCLSA-N 426.882 0.942 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2=O)cc1 505152437 LACNIRWHVQLSFH-GOSISDBHSA-N 435.440 0.673 30 20 ICED N#CCNC(=O)CNC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 511911994 XECJRWFEKIJATH-UHFFFAOYSA-N 426.477 0.880 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 514628207 BWHPZNWJSXQBCN-RTBURBONSA-N 437.500 0.389 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1=O 546779673 PPVDZCJRDMDRDU-AUUYWEPGSA-N 436.490 0.157 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 548617141 PHLJHBKPTPHBHU-OAHLLOKOSA-N 441.509 0.293 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC3)n2)c(Cl)c1 551737125 BPHSARCZXLQDTB-KSSFIOAISA-N 426.864 1.509 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 561413032 BICXMKWEOPCPCY-UHFFFAOYSA-N 431.512 0.675 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 573874575 FNZCHLUVQAJTTF-UHFFFAOYSA-N 433.515 0.383 30 20 ICED COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1S(=O)(=O)N[C@H]1CCOC1 576914823 CTJROIXJQUVNRD-AWEZNQCLSA-N 438.487 0.830 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1OC 581324963 YYQDGMZRIFLYLQ-UHFFFAOYSA-N 439.472 0.944 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)n1 589411981 IWJJDOWMAITJNQ-INIZCTEOSA-N 430.428 0.784 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)cc2)c1=O 603794669 IHXDVUCGXBOSFW-UHFFFAOYSA-N 440.569 0.996 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222437 OTUGBHDEDYHHOY-UHFFFAOYSA-N 440.447 0.999 30 20 ICED O=C(CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)NC1CCCCC1 728535573 LMGZLUCENNXXPF-UHFFFAOYSA-N 447.561 0.318 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cn1 749868252 FDWHTQMDNXJFES-AWEZNQCLSA-N 427.530 0.505 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758061081 SQJLUQNVNVUUQA-UHFFFAOYSA-N 425.510 0.835 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1 769640312 PYWGLWPPBDVSAE-UHFFFAOYSA-N 429.414 0.600 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(=O)N(C)C)c2=O)cn1 772304392 VBJMBWPAJUFARS-UHFFFAOYSA-N 448.508 0.437 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 773801140 XBEIWTNVSASROO-HOTGVXAUSA-N 439.465 0.082 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780066591 DEXVWGQIMWUJDY-CQSZACIVSA-N 430.461 0.834 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 783474234 GEHOTROWNLUWJC-JWNZJDHWSA-N 436.433 0.901 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)n1 788228109 YQIGZAVYMDDOCB-UHFFFAOYSA-N 437.500 0.935 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)n(C)c1=O 791988051 LBZYRFNHCNOYRA-OAHLLOKOSA-N 437.460 0.303 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C#N)C1 793615920 BNFRRPJWUQOYAY-VLIAUNLRSA-N 449.508 0.573 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327085 DHKPCQCLOSVDNO-MRXNPFEDSA-N 437.474 0.324 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)C[C@@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 803007445 WJJDGUKAOJLZHV-CHWSQXEVSA-N 429.520 0.376 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCCCC4)O3)CC2)c1C#N 806699290 IGWKTMQHOBEQSL-INIZCTEOSA-N 430.509 0.441 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808958967 RJGZHCNSVCJSQO-UHFFFAOYSA-N 435.433 0.749 30 20 ICED C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431762 ORFVQSTVJHPAQI-IAGOWNOFSA-N 435.550 0.710 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CC2)OCCCO3)CC1 815154453 FGRZWKUPBPUHHL-UHFFFAOYSA-N 448.545 0.620 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815633049 FCRZTUFEQRCAIZ-CYBMUJFWSA-N 437.399 0.517 30 20 ICED C#CC[C@@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 820064705 KAAHWYYLRNYDCM-LBPRGKRZSA-N 449.298 0.723 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 915864459 OODJUGPEYYABGB-UHFFFAOYSA-N 435.527 0.709 30 20 ICED CCc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 919173209 RKHWSQQWOYNWPP-UHFFFAOYSA-N 445.501 0.544 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(C#N)c1=O 1162084142 PNZSESHQSGECKI-UHFFFAOYSA-N 443.407 0.475 30 20 ICED CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299253165 XJPWRZHKBMONLS-HNNXBMFYSA-N 427.513 0.158 30 20 ICED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318975285 RHSJBKRBGHTNED-VZCXRCSSSA-N 433.553 0.846 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(OC)c3)c(=O)n2CC)CC1 1319688725 AGTBIFDAGDEKHC-UHFFFAOYSA-N 444.532 0.745 30 20 ICED C=CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1320424702 OUBWYCOKGWOWSA-HNNXBMFYSA-N 426.491 0.954 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503839754 GIUJTTBPGHTRBO-KRWDZBQOSA-N 447.540 0.734 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1OC 1504203179 NFTRDAHEZIZKLB-INIZCTEOSA-N 442.476 0.550 30 20 ICED CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1515444088 KZTMAZFNLAIZGS-INIZCTEOSA-N 446.533 0.830 30 20 ICED CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1547620730 LEHDHDNSYMONJA-GOEBONIOSA-N 436.542 0.614 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSCCS1 1611711347 MSVSMGOANXSGEF-XQQFMLRXSA-N 432.597 0.466 30 20 ICED COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602194 ZCPYWVDHDGYYQQ-DLBZAZTESA-N 440.508 0.484 30 20 ICED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1698488364 OGONHOUJFAOGEX-MRXNPFEDSA-N 428.518 0.968 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1709450293 ZXROTTCQCZUVKB-MPGHIAIKSA-N 428.559 0.900 30 20 ICED Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1724968603 QISJZGDZTABTEG-RDJZCZTQSA-N 447.569 0.270 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CC1 1727608396 XFTORBVWJQRQBN-CQSZACIVSA-N 430.538 0.794 30 20 ICED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1729589423 VNTYJUGWWQZQJM-UHFFFAOYSA-N 441.521 0.465 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1741703051 RHWWRCAZAHUMGA-QGZVFWFLSA-N 446.533 0.877 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2)C1 1770351387 SRLQGTYWZBFVAI-IAGOWNOFSA-N 432.506 0.388 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779279979 IDDVWIONDXBWAJ-QRQCRPRQSA-N 428.464 0.760 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)n2)C3)c1 1780179781 SIIAMHUDRGGHQZ-FOIQADDNSA-N 426.433 0.529 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1780804033 MTFJRNHMZMQAAR-STXHMFSFSA-N 435.529 0.634 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781170926 FOUJGIKYNWRQJV-WAIKUNEKSA-N 442.516 0.854 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781293845 BNNNIEUKFIYIRX-OAQYLSRUSA-N 431.468 0.341 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280852 ZRHJWSHLEUNMNS-NRFANRHFSA-N 432.477 0.619 30 20 ICED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1783141697 AUCJIIBFJGMNIR-SFHVURJKSA-N 439.394 0.552 30 20 ICED CC(C)(C)OC(=O)NCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557286 DVOCJDMLGOCTER-OAQYLSRUSA-N 437.493 0.599 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cncn4)C3)C2)c(C#N)c1 1784475605 DCRMORFWDFMPCZ-AOMKIAJQSA-N 438.488 0.792 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1785426204 NAGCAOCAGWPKSN-QFIPXVFZSA-N 434.456 0.428 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCC4)[C@H]2C1 1788352187 LJJSNCSWQNTVER-ULPAQXSLSA-N 441.532 0.671 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C[C@@H]21 1791078257 QVACHJZWSHEDSK-WDSOQIARSA-N 439.468 0.716 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792535078 GNRFFLVCCUUJBY-SHJAMOMRSA-N 430.480 0.744 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CN)c1ccccc1)C2 1795598569 LKASRIJQLVCMNF-IYWMVGAKSA-N 427.549 0.600 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cccnc1 1795606164 SPUGYUOMTVMIRY-PDOICOKGSA-N 430.505 0.981 30 20 ICED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994194 MZUOADZMUQXPQH-GNXNZQSNSA-N 442.394 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797062432 JHGJZEVHFBKYIP-PNBKFKSVSA-N 444.513 0.306 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798429809 HHKHRIQPGFGLFJ-SCUGEYKASA-N 427.571 0.424 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCCC2=O)C3)c1 1798579517 KAOMXFJNXJPWEZ-OPMZPASUSA-N 440.500 0.783 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798858507 VSJQQMWRIWLMHL-RUGDWHBFSA-N 434.518 0.089 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)c1 1799746605 DYFZFZXXHGKSTF-IVWMJMPLSA-N 439.403 0.703 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)cc1 1800175094 ODGSQBKCLLQIAR-FEJSZKPUSA-N 435.484 0.819 30 20 ICED O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800179476 RGEGUNMKPDIHFV-VHWVQJITSA-N 447.492 0.233 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1cncn1 1801359308 AJWLWEAHNPTFRE-FRQROOTJSA-N 434.460 0.490 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C 1801970020 VMXLBMKXPOZCFC-AVEIZBFRSA-N 437.537 0.918 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)c1 1801976943 SYXTYBGZPZRDBO-SCAQPMJSSA-N 432.502 0.382 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991805 UJONQOQJGPLRPJ-DLRJPAPCSA-N 426.473 0.147 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1802018054 YVSMUDISOYEZCL-SFNKJDCFSA-N 435.521 0.625 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804341199 IHCVFPDTJBUGSG-JHNDHUHGSA-N 433.534 0.640 30 20 ICED O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807683361 RTPAMXHJJWKFQZ-ZEBLLBATSA-N 441.492 0.908 30 20 ICED Cc1cc2nnc(C(=O)NC[C@@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)c(C)n2n1 1809192996 ZIKLZOGAKIOHTJ-KKSFZXQISA-N 447.455 0.544 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](C)S)[C@@H]2c2cccnc2)CC1 1809678035 KNVWXNPLCGORPT-ZAAXVRCTSA-N 433.578 0.570 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810284454 ORNHWGNVJHKECG-SBSGUARVSA-N 442.564 0.891 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815595157 NVLICPOXZATVIL-OAHLLOKOSA-N 432.481 0.936 30 20 ICED CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817054440 FQDCSWZBOWGUEC-JFMCCSCGSA-N 441.510 0.975 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1820974006 SQJMTHFBASEECQ-GXTWGEPZSA-N 436.469 0.746 30 20 ICED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1)C(F)(F)F 1822028357 IOBHJGUHINJYDA-AWEZNQCLSA-N 433.431 0.807 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203144 MITQBVRFVZJELX-BLLLJJGKSA-N 435.437 0.333 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1829768740 GMPJVBATYMEIDC-ICTHTSFCSA-N 444.488 0.024 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)cc1 1829900881 RTMGJLVUAXRJCA-QHCPKHFHSA-N 437.452 0.824 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830211772 OXSKCJGBHYQYFF-LLBVYWAGSA-N 446.500 0.223 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1830641310 WJCLKYFTXBELQW-NRFANRHFSA-N 438.594 0.695 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110334 HAKGNTQSTGQUOI-AUSIDOKSSA-N 425.485 0.125 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831189326 YWSMWOPEQRMHSG-GQIGUUNPSA-N 426.514 0.158 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1831395885 AQOBVRFMXGLVEZ-VGSWGCGISA-N 431.489 0.507 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)c3ccc(O)cc3)C2)C1 1831396177 ADCZXVNDCKQVHH-YZZKKUAISA-N 430.501 0.990 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831484938 JHVZDNYUADHXES-KXBFYZLASA-N 438.506 0.199 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831491036 TVXGUWISJHYZEU-VQIMIIECSA-N 429.539 0.240 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419858 WDYCGBQRZAYKQC-AVRDEDQJSA-N 437.537 0.437 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)CC1 1833077030 NMVCWVOTQHHNSC-VGOKWCNXSA-N 443.552 0.269 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833474112 ZOOZYLQNMHHNDB-MRXNPFEDSA-N 448.524 0.954 30 20 ICED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833491513 OFTBCRMITCIDBG-GOSISDBHSA-N 443.683 0.996 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295073 BBXLQKSWKIRSIT-YBRWOUCESA-N 433.465 0.076 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1835098815 RAPDBFKSEJUYEE-HSZRJFAPSA-N 425.485 0.117 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835644232 UWMXJRXDNBKKGZ-OAQYLSRUSA-N 445.545 0.574 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CNC(C)=O)CC3)CC2)c1 1836126008 NGMQUBPYKLOVAD-UHFFFAOYSA-N 441.532 0.888 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836573682 AZAFUVRZRUXHIZ-VGSWGCGISA-N 428.489 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837004962 SGMQKXOLIKWQOA-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(C)C 1837221513 LZWLTKIXQBDTHP-DJPFJPOOSA-N 441.525 0.831 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1837392912 IRKXHVBGDCNYAU-KKXDTOCCSA-N 438.443 0.329 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837442259 UZHGHNVNNLSFTF-FDCKDHBTSA-N 447.511 0.691 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564398 LGFLCPFZKDMTRP-AAADOUPPSA-N 433.505 0.728 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)cnc3Cl)CCO2)C1 1837851612 ITRKXSBASXIFFN-XOBRGWDASA-N 439.871 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)s3)CCO2)C1 1838155381 IUTYTRYHJINMQK-SCLBCKFNSA-N 427.910 0.905 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n[nH]1 1838665937 BFRINTDZOXTWNX-QFIPXVFZSA-N 439.472 0.739 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1839066513 KRYASMCZMCWCGL-GBXCKJPGSA-N 447.576 0.483 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839173413 OFKVYZPSBKYDMR-QFIPXVFZSA-N 448.520 0.237 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839228383 BFRFDDCYMOIBQJ-LAUBAEHRSA-N 433.509 0.667 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1839479785 VLCOQPLEALCDJI-HRAATJIYSA-N 445.545 0.964 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807818 GREGQRZLAYYIJV-LEWJYISDSA-N 439.484 0.425 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839846583 XXWMZHSLISEHFX-DENIHFKCSA-N 442.553 0.725 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839887255 SIPHLLMNZXNQKC-GAJHUEQPSA-N 442.516 0.910 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1)C(F)(F)F 1839894944 ZXFRWLMDQBXDPH-ACBHZAAOSA-N 446.422 0.905 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343388 VCSFXMTVPMHWON-DLEUSVHOSA-N 447.492 0.408 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921199 VPIJPTZEABPCQS-INIZCTEOSA-N 426.521 0.685 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845212613 ANAZXXDJELMARB-KRWDZBQOSA-N 437.537 0.896 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCC#N)n2N)c1 24767884 GNFRHABAVMXLDB-UHFFFAOYSA-N 437.551 0.811 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCO1 409574403 IRMKEYBWPJGQSU-KGLIPLIRSA-N 429.296 0.391 30 20 ICED Cc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)n2ncnc2n1 443034666 AQBXTKRJOGNLGP-UHFFFAOYSA-N 428.434 0.724 30 20 ICED Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444573963 UUFGGYDLGHSVJS-QGZVFWFLSA-N 438.488 1.182 30 20 ICED CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446533074 SRWFYDSZGNCTAS-UHFFFAOYSA-N 425.493 0.978 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1 469436577 OQGPEULHBCMZBU-UHFFFAOYSA-N 428.536 0.061 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccsc2)c1=O 479367474 OVZZOITUGQINQI-OAHLLOKOSA-N 441.538 0.492 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 480046785 TVFPULIPKOTYLN-UHFFFAOYSA-N 448.504 0.664 30 20 ICED COCc1cc(C(=O)OC)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 489211950 XBCMBIDULVNCIF-UHFFFAOYSA-N 425.507 0.856 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 498521276 DKRFVGWOIACZOT-UHFFFAOYSA-N 441.575 0.486 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(Cl)c1 502053072 VBHYRRRXEQQKIZ-UHFFFAOYSA-N 443.916 0.552 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505197998 MUKLAYFZAHFLDF-INIZCTEOSA-N 441.469 0.607 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccsc1 505701033 UEESGASBWJJFRY-ZDUSSCGKSA-N 443.554 0.657 30 20 ICED Cn1ncc2c(O)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc21 511814895 VAYYJOHMLRKTHN-UHFFFAOYSA-N 426.458 0.692 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1C 548289601 JIKVZXZAIGWTOP-HNNXBMFYSA-N 425.510 0.429 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 549995166 VTXNBVCFSNVKHT-BZUAXINKSA-N 426.543 0.776 30 20 ICED CN1C(=O)CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccnn1C 552974887 ZFAKKVMKUINNQF-OXQOHEQNSA-N 429.502 0.685 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O 561130399 KZPYWSDAPOITJL-IBGZPJMESA-N 426.517 0.961 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 570427606 PZRBUYVANHSIJQ-QRFQSNJMSA-N 426.473 0.576 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 582149714 XXXQYABOOWGBOJ-AWEZNQCLSA-N 441.506 0.098 30 20 ICED CN(C)CCCOC1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587654751 RLYMVYJQGGDJRG-UHFFFAOYSA-N 442.564 0.998 30 20 ICED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC2(CCOCC2)O1 587655015 WYPWMLOHQMQTBQ-INIZCTEOSA-N 427.505 0.835 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 608828351 UPEIKMSWZVDFPP-UHFFFAOYSA-N 441.488 0.809 30 20 ICED COc1ccc(C(=O)NCCN2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 609921785 CSKOOWFLAMAISZ-UHFFFAOYSA-N 449.511 0.871 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610665747 RXOZPBQIRNMPOF-GFCCVEGCSA-N 433.494 0.173 30 20 ICED N#CCc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 619476387 MIBGPCMQWGPOIQ-UHFFFAOYSA-N 449.558 0.578 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 623209516 HCLIFSOESAUAMS-HZPDHXFCSA-N 428.489 0.889 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 672341095 BIQKNHIAFJYCJU-MRXNPFEDSA-N 435.475 0.106 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N([C@H]2CCS(=O)(=O)C2)C1=O 726396322 REEMDZKILTXTOE-XHDPSFHLSA-N 441.531 0.959 30 20 ICED CN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)CC1 731408988 FCRVYCHTVHLWHX-UHFFFAOYSA-N 427.505 0.930 30 20 ICED O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=C1CCCS(=O)(=O)C1 731923142 WWHBSMULXANZDG-UHFFFAOYSA-N 432.480 0.592 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(CC)c3)c(=O)n2CC(C)C)CC1 732561072 FIPHZPFOVFLDAA-UHFFFAOYSA-N 442.589 0.449 30 20 ICED N#C[C@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)C(=O)N1CCS(=O)(=O)CC1 732908009 GZBZFBCAHCKFGC-GFCCVEGCSA-N 437.865 0.915 30 20 ICED C[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC[C@@H]1CCCO1 734188531 KATJGJVFXCOABA-RRQGHBQHSA-N 428.445 0.990 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741373675 KQTAXOYGHABJCJ-ZDUSSCGKSA-N 440.474 0.955 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742510715 ICOUKZABMGTPPS-CYBMUJFWSA-N 442.563 0.434 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 756893321 TWXCZDULKAXGSH-OKZBNKHCSA-N 449.552 0.575 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758077834 TXTZKVZBNFFMSJ-ZDUSSCGKSA-N 426.454 0.105 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 759047537 YNOSMHNVVYFATO-HNNXBMFYSA-N 431.460 0.664 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CCN1c1nccn2cnnc12 771241127 XXFZEENTZNVTBQ-CYBMUJFWSA-N 438.423 0.842 30 20 ICED COc1ccc(-c2ccncc2)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 774393248 JFWUTCQAEVUYDU-UHFFFAOYSA-N 429.458 0.467 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCO1 775798200 IUOGLLGTWXXADF-MSOLQXFVSA-N 436.490 0.198 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 784871028 SVRCANLOLSQLJI-UHFFFAOYSA-N 444.495 0.401 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)c1C#N 785987118 HNVRETUKFSSYDW-UHFFFAOYSA-N 433.476 0.146 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)c1 792378171 SKUCFQRECRNLJY-IHYLXSPPSA-N 436.412 0.477 30 20 ICED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 806780398 NPKVSTHHFPGYFE-HNENSFHCSA-N 447.517 0.531 30 20 ICED C#CCCS(=O)(=O)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 810783745 CQQXNJURBMVHMD-FQEVSTJZSA-N 439.493 0.969 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccccn2)c1=O 838160671 NTPSJRVPUWJBID-UHFFFAOYSA-N 430.530 0.386 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)o2)c1 918616474 OAEJCGMRCRVZMU-RGEXLXHISA-N 426.476 0.992 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1116037497 VHMWKZWNWGQLJP-ZZEZOPTASA-N 432.502 0.173 30 20 ICED CN(CCOc1cccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)c1)C1CCOCC1 1464749736 KNXRGABCJSABEY-UHFFFAOYSA-N 441.488 0.627 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(=O)N(C)C)CC2)c1C#N 1492727920 MGZGWFWKZJTGOB-KRWDZBQOSA-N 441.540 0.848 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCOC1 1497055942 LDCARCGEPFSPLX-DYESRHJHSA-N 431.541 0.524 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555985732 VMAXQYYWRKRZSD-MOPGFXCFSA-N 437.472 1.000 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1612212620 MYMRASCRGUDKPO-HZPDHXFCSA-N 431.522 0.659 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C(=O)Cc1cccc(Cl)c1 1634636739 ZYMLZJNUXDMUMB-ZDUSSCGKSA-N 429.864 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1706866877 MAKXRJUQOSNCIZ-IYOUNJFTSA-N 426.543 0.558 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1711085600 MFSRMVFHMYLEBX-QGZVFWFLSA-N 426.506 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCO[C@H]1C 1723925118 KBDNEHDPLBFHSZ-SUNYJGFJSA-N 426.543 0.558 30 20 ICED CC(C)[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750077732 WTDVYHYLEKJRMC-VKJFTORMSA-N 428.559 0.614 30 20 ICED O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778782359 RLMOBXTYLSMZMC-LUIQLVGOSA-N 449.552 0.814 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779016472 WFZTXUPWFBJDQQ-JHXRPTDYSA-N 430.509 0.791 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]4OCC[C@@H]4N(C(=O)OC(C)(C)C)C3)C2)C1 1783536916 KCPRDJJNDWRIQF-DWKCODDLSA-N 447.532 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)c(C)nn3C)[C@H]2C1 1785776106 IGTJGWRJEIGRBC-FCLICNRPSA-N 433.484 0.319 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 1786860156 MREWKXBNOIPCCC-BOSXTWCSSA-N 442.564 0.776 30 20 ICED CCOc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cnc2c1cnn2C 1787247936 WGMPFHVSRDLMNH-JQFCIGGWSA-N 426.477 0.874 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1789575137 VDYMEQXRWXEMOH-VJANTYMQSA-N 431.514 0.729 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3C2)CC1 1790142960 VKTCXMYUFPLURO-FKBYEOEOSA-N 439.560 0.593 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]3C2)c1 1790865908 JWQDFZIDBTWFQT-PQTDTLSBSA-N 428.489 0.685 30 20 ICED O=C(CCc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791661218 RVVJYRVOEYNLBI-SRPZNINNSA-N 445.520 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C2 1792484774 PHYGANNEQWTGPB-UOGKLXEZSA-N 433.505 0.024 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CC[C@@H]3C)C2 1792489116 HLYFHTHPPMJYEY-MYSSAPLFSA-N 427.505 0.521 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793506427 AVRUFXRWMRMOMY-FSDCSDTHSA-N 431.493 0.530 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C 1793825022 SQQOILYMSUWNRN-SSCXBUAASA-N 425.529 0.671 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796422008 FHBAQZGVLXDXCQ-GFISCPRKSA-N 438.550 0.361 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCO3)cc1 1797432863 OQUDKDGVNLAOTE-OPMZPASUSA-N 435.484 0.983 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1797809754 DQNLAAQDAHWOLQ-FQWVCGABSA-N 440.566 0.154 30 20 ICED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797897696 FFDYLBCHNCCPLW-KCLWYBEPSA-N 434.497 0.033 30 20 ICED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798576363 QLPQWNIBJKWHHI-MIFYACCESA-N 442.501 0.977 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1799390185 GXVDYTNLYVNVOH-WISYIIOYSA-N 441.378 0.732 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)nn1C 1799883634 SVRHTYSFBBRWSV-CCWDJLKJSA-N 433.472 0.994 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)C(C)C 1800208979 HWTYMVDCKMBJDF-OREBXVKISA-N 447.536 0.910 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1802025054 GKPQOIPYPQSSDE-HATOLVCRSA-N 440.537 0.076 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1802500254 YIMSNTSCIDYSCL-WHBFPRCOSA-N 437.504 0.628 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803564942 LYVCXLWMXWSMOB-HFTRVMKXSA-N 440.437 0.403 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810285584 GWXWUJMYUDUEKS-HSPCJJFQSA-N 428.537 0.282 30 20 ICED CC(C)c1nc(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1812873460 BRFAOKGGXLHQHV-YWZLYKJASA-N 425.445 0.925 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814464501 JWWHFFQGHYHHMK-WDEREUQCSA-N 425.536 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=O)N(C)C)n[nH]1 1814559791 WGLKGEWWDWXQIU-CDNLZTBQSA-N 431.497 0.531 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817247482 CDOWRSLVBUFTRA-RDJZCZTQSA-N 444.536 0.693 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817358374 PNPSSPCDBBZNOG-OZMNXJMBSA-N 432.529 0.466 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828974584 RNIOXNCLSMIYON-FXDLTUPKSA-N 433.513 0.822 30 20 ICED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829227660 LLRGIJICLKPITA-JOCHJYFZSA-N 444.488 0.361 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc1 1829630756 AFDMGXPRJBPFPV-JOCHJYFZSA-N 438.488 0.239 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632510 VQSNBTNWVLNCDM-OFNKIYASSA-N 428.533 0.945 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456945 YNAYNIMJLWXZRL-YADARESESA-N 439.512 0.986 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1831394078 VXKZGBWFNAAVDN-KSFYIVLOSA-N 426.473 0.671 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831811859 OPCCAJBLPZVJIE-IGPUNGKJSA-N 446.552 0.579 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)nc1F)CCO2 1833259522 VVJCFGXLOHOHKU-QGZVFWFLSA-N 441.257 0.967 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833433568 FNRGYQTYFASDQL-VGSWGCGISA-N 448.520 0.518 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)CC2)CC1 1833468756 FGVAXCZVZSZYJT-ZPSAWSNLSA-N 445.560 0.940 30 20 ICED Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)cc1O 1833945271 VSMNFYCGXNTXJM-XQNSMLJCSA-N 445.568 0.783 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833993015 IJDWVHJSWDYUOY-JOCHJYFZSA-N 429.521 0.742 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834128563 JPLDURZEUJGYMZ-HTAPYJJXSA-N 433.505 0.733 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)cn1 1834398255 KYDZSJLBCIHZOK-UHFFFAOYSA-N 447.561 0.725 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755515 FFYWERVYVFKVOB-CVDCTZTESA-N 442.516 0.955 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835353855 FHMXGDVNJOFAHE-LJQANCHMSA-N 432.868 0.985 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835695871 QTJNNVOEWDYHEO-ISKFKSNPSA-N 449.511 0.652 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837011856 WVBFRQNOGOZQIU-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[S@@](=O)CC)CCO2 1837235079 OLFNSIYBDMWISQ-OLILMLBXSA-N 430.567 0.584 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837286604 JYTYKXREJUMDNY-WNEDAQHXSA-N 444.532 0.495 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1837310042 RYVKTNXUPJLKEW-LLGFUMIMSA-N 439.509 0.276 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1837394603 DSHHURFGWVKUAS-XXBNENTESA-N 446.548 0.791 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc([Si](C)(C)C)c3)CCO2)C1 1837422023 NACFEPUXJZKAQL-JTSKRJEESA-N 448.592 0.933 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491293 MQYINJWYYWWGPV-JPYJTQIMSA-N 449.548 0.008 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837530073 HYBZFUCNSPYBKV-OMJZWIOZSA-N 448.476 0.386 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659172 SNFUPAAHKNFONE-QHCPKHFHSA-N 444.532 0.547 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838252105 PWHFPUAQPKBYAE-HZQHCPKGSA-N 449.895 0.058 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507070 LPHJNRDECQOEKY-VBKZILBWSA-N 445.501 0.195 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1Cl 1838595892 INXWNNBXYDAOPP-HXUWFJFHSA-N 444.879 0.573 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(C#N)c1 1839131000 HCOFBMFWURPHCH-WFHLNLCJSA-N 443.500 0.337 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581065 CIRFGJGSTZCZEV-OPAMFIHVSA-N 432.521 0.570 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(Br)nn4c3)C2)C1 1839808252 WCWFVRAUTLZXBB-GOSISDBHSA-N 448.277 0.195 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839888337 HFQQDFZWKAVCAX-IBGZPJMESA-N 438.431 0.462 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840194831 HEUUPDINSVREOO-FXAWDEMLSA-N 430.567 0.540 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840234322 WPMNBHUWQGUEBR-MBSDFSHPSA-N 440.500 0.463 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840580010 ZQDSAUMMPFHDMZ-UZLBHIALSA-N 426.535 0.848 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818090 JGDUZNLILMTGRY-IRLDBZIGSA-N 431.489 0.410 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820600 ADEBVHNBFTWRKP-HWWNHIDJSA-N 429.473 0.944 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(-c3ccc(OC)cc3OC)no2)c1=O 105032119 YCRDSYBTGHWMJB-UHFFFAOYSA-N 427.417 0.659 30 20 ICED COC(=O)c1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cnc1C 427748641 ZHBHDVSPZQTYCS-UHFFFAOYSA-N 434.478 0.651 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 435312034 WMYWSSVIFBXDPH-HNNXBMFYSA-N 441.506 0.362 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)c1cccs1 437494250 VENHEAUZTDKUPI-GFCCVEGCSA-N 442.544 0.381 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H](C)C1 442068585 CISGCUWSRLOMMT-AWEZNQCLSA-N 442.451 0.917 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 460980393 SORGNTSTKNFHRW-CQSZACIVSA-N 431.522 0.319 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)O[C@H](CO)C3)nnc12 470380157 UNWYQVXPYCZPGF-KBPBESRZSA-N 429.502 0.931 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471057090 VGMROKOPRMHPKD-KRWDZBQOSA-N 427.461 0.181 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)n1 479362257 DHMDAYTYGGDZAH-UHFFFAOYSA-N 447.520 0.733 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)n1 479383480 MESSVFUQPDVPMZ-HOCLYGCPSA-N 441.509 0.601 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CCN(C)CC1 479397389 XPHGMQLVHQHVNK-UHFFFAOYSA-N 439.541 0.385 30 20 ICED COc1cccc(C(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480456313 YNCUEJFHPMLWGT-CQSZACIVSA-N 430.486 0.780 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)C[C@H](C)C#N)CC2)cc1 480688909 LLQBXVZSWXMUDA-MRXNPFEDSA-N 436.534 0.926 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C#N)cn1CCOC 481487736 CIVKLKFYRHVMBA-XCLFUZPHSA-N 446.464 0.683 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 482711527 SUPPPZJIFWPSLX-OAHLLOKOSA-N 437.522 0.694 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 482860712 UYZXZGVUBCBVEY-IAGOWNOFSA-N 447.561 0.380 30 20 ICED N#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 508058126 LUUSSIYHOBZHJN-UHFFFAOYSA-N 434.518 0.526 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1)C(N)=O 508958174 CRUMNGNZMFECLL-UHFFFAOYSA-N 443.504 0.903 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)nc1 516152355 JOXTUCBWQHPRTI-UHFFFAOYSA-N 447.499 0.557 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOCC 523735634 KXHBGTOXDCPFMS-UHFFFAOYSA-N 428.470 0.660 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531370659 KEYVEZJAWYCPID-UHFFFAOYSA-N 435.490 0.470 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 539270795 OZWJWLLIEIBBGZ-INIZCTEOSA-N 438.550 0.252 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541073758 HRHIWJFGLUENRV-UHFFFAOYSA-N 448.526 0.897 30 20 ICED N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)n1 545497307 FVAROHCGQMKSOF-KRWDZBQOSA-N 440.485 0.055 30 20 ICED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 555256146 WCWSMGHHCAPISV-UHFFFAOYSA-N 437.508 0.691 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CC1 556141715 OPJMIWLNMQREDF-UHFFFAOYSA-N 448.439 0.870 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(C)C 556210109 YOSYOYGDDDOCHC-HTAPYJJXSA-N 433.553 0.638 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(F)c(CN(C)C)c3)CC2)c1C#N 558215464 AXAUGLUDJIZPGW-UHFFFAOYSA-N 441.511 0.766 30 20 ICED COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N(C)C 559384894 DOFJOQGRINTXAQ-QGZVFWFLSA-N 427.509 0.682 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCn4nc(C(C)C)nc43)CC2)c1C#N 563568690 UFDXOIWQDVKLCB-INIZCTEOSA-N 439.524 0.615 30 20 ICED CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2F)ccn1 564468371 VBIDZMVYUABDLI-UHFFFAOYSA-N 428.380 0.067 30 20 ICED Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 569516180 APIDVFQRIJFNNV-MRXNPFEDSA-N 431.518 0.663 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ccncc4)CC3)C2=O)cc1 588871345 XHTFVDAPCJOZNH-FQEVSTJZSA-N 432.484 0.519 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cc1OC 590997277 ANOMXNMXXPZZRD-UHFFFAOYSA-N 443.525 0.918 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 604269996 BAOPKMKGBDFUMC-UHFFFAOYSA-N 430.505 0.556 30 20 ICED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(OC(F)(F)F)cc1 610427049 MKOLRYCCROOOES-LLVKDONJSA-N 446.363 0.936 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1=O 726043425 UDKGYRCRKLINRD-UHFFFAOYSA-N 439.808 0.816 30 20 ICED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732463233 KYMZZNXTWSTVHC-UGDGIKRESA-N 437.460 0.352 30 20 ICED CN(C(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)C1CCCCC1 732466307 MIESMLLHTJDLCG-MRCUWXFGSA-N 446.552 0.631 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1c(F)cccc1F 732967555 RXUZWFIFBPNXCV-UHFFFAOYSA-N 436.440 0.940 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C\c2cn(C)nn2)C(=O)/C(=C/c2cn(C)nn2)C1 741467449 OEBQFSVMKPMOOW-ACFHMISVSA-N 443.493 0.024 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742539867 FQCSYYCUQYBSCN-CYBMUJFWSA-N 430.552 0.292 30 20 ICED C[C@@H](CC(=O)NCc1nnnn1-c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742589910 MVEJACXVBGYUSO-ZDUSSCGKSA-N 425.474 0.796 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 747993929 VONZCHYGLKUFGN-UHFFFAOYSA-N 439.516 0.001 30 20 ICED COc1cc(OC)cc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 752182957 XLPUIKMKKIZUMF-SUMWQHHRSA-N 449.485 0.023 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccccc1SCC#N 756748981 PILOWQMDSPGSBC-LBPRGKRZSA-N 437.503 0.884 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn(C)c2)c1=O 758067089 GKDOAOHTQQWAEM-UHFFFAOYSA-N 447.476 0.189 30 20 ICED C[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)NS(=O)(=O)c1cccnc1Cl 760470651 QCYULRCEROPSFB-OAHLLOKOSA-N 443.957 0.866 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1=O 760794124 FAWSAAIXDZXTKT-UHFFFAOYSA-N 430.490 0.514 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766052263 MTSJFKNGRAPFOX-UHFFFAOYSA-N 431.430 0.538 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cncs3)c2=O)cn1 767891313 NVVWBGWCSZBYID-UHFFFAOYSA-N 425.495 0.541 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 769193964 BHLLUIMZPGIHRT-UHFFFAOYSA-N 449.466 0.224 30 20 ICED CCOC(=O)CON=C(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cc[nH]n1 772274822 IJMYBJPLGZMULR-LBPRGKRZSA-N 431.409 0.710 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 772929046 CCRBKPUUDSXMQO-LSKLOWJMSA-N 443.909 0.719 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 773228697 HUUUOIUEVBCMCI-UHFFFAOYSA-N 436.515 0.387 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 780257938 WUFXGWYSNPBENM-QGZVFWFLSA-N 425.470 0.667 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 783479628 FQKHKBQMIZLGOT-ZDUSSCGKSA-N 446.266 0.879 30 20 ICED N#CC1(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCC1 784208357 LOFOPLWMVBYULI-AWEZNQCLSA-N 447.469 0.729 30 20 ICED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 787555892 JMORQWWLPJUGDH-UHFFFAOYSA-N 428.493 0.538 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 798956119 HWYUXTIZVPTTIE-HXUWFJFHSA-N 426.517 0.584 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c1 808051482 YCFQNURAHNFMEQ-UHFFFAOYSA-N 426.502 0.871 30 20 ICED C#CCCN1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 809392376 QHJQMSJDPRTJSH-HXUWFJFHSA-N 435.546 0.995 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 815016617 ZXAOCTYIVCGFLU-UHFFFAOYSA-N 432.861 0.833 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 914564772 BBWJHMAIYLTNPP-UHFFFAOYSA-N 437.525 0.916 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)C)CC2)cc1 918433536 NNKOQJQBCGANBL-RELWKKBWSA-N 435.550 0.991 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 919548630 LMRXRYSHZLZZKS-UHFFFAOYSA-N 426.433 0.784 30 20 ICED Cc1c(NC(=O)CSCC(=O)OCC(=O)NCC#N)c(=O)n(-c2ccccc2)n1C 1318405601 FMPJBPCTKPHPNT-UHFFFAOYSA-N 431.474 0.339 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1512010770 MKPUJSHWGUMPFK-NYTXWWLZSA-N 426.543 0.821 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1517620394 PIZFBONRONMBLJ-AWEZNQCLSA-N 442.448 0.824 30 20 ICED CN1CCN(C(=O)CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1522494627 NBJGLLMZGYFAKS-UHFFFAOYSA-N 425.449 0.876 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1540982583 VAOCSBLGEBKZFZ-UHFFFAOYSA-N 437.504 0.767 30 20 ICED CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1597338448 XJTYLWSQSCKTDG-HNNXBMFYSA-N 442.611 0.974 30 20 ICED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1710278544 WXPLBOFNTYTXHR-IIBYNOLFSA-N 444.561 0.897 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1729739919 XDHKQGWWHBPBED-INIZCTEOSA-N 447.565 0.523 30 20 ICED CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1744349639 ZGUMZOSIFWPCDK-PXNSSMCTSA-N 431.518 0.786 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1778833997 KLTVZYVTBIEERO-LXHZQTKUSA-N 426.448 0.976 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1778952936 HRFFZWWLZRCQLG-NWUNMYDASA-N 439.513 0.053 30 20 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432.908 0.728 30 20 ICED 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](CC)NC(N)=O 1796760683 IXUPZDISHDZYOS-ZHCJQAHYSA-N 449.552 0.988 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12 1800876988 OWSIAUXTYTVUJI-YYAJDYIMSA-N 438.488 0.837 30 20 ICED 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)OC)C1 1800963784 YSFZHSGFNWTJAN-HOYBVZGFSA-N 447.532 0.414 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801760799 RBMAZOCHXJTAJL-LQDZTQBFSA-N 427.505 0.964 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803563407 SFKBWIHQQUEOFO-VUNQQRPYSA-N 429.477 0.277 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355209 MJEZYTNOWGPCNS-JXFKEZNVSA-N 431.456 0.546 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@](C)(O)CC(=O)O)[nH]n1 1814439573 PXKJIBVYQQPACJ-JDFABZIDSA-N 447.492 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](CC)NC(N)=O)sc2C1 1817011053 ZQXJQIUPCDXNLP-FUMJMOHISA-N 434.522 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCOC3=O)sc2C1 1818688939 RRVBWJILVYXSHA-SZZPACECSA-N 447.517 0.756 30 20 ICED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1)C(=O)C(=O)O 1821608302 NNWBSPKPWYZMRT-SNVBAGLBSA-N 430.446 0.112 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)[nH]n1 1822197276 LTFUUQGDEKKUMT-SECBINFHSA-N 434.302 0.845 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)[nH]n1 1822200872 RDLUBGVREHRXPU-CQSZACIVSA-N 425.401 0.970 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1823089356 KAHCWKZWDKOMIQ-WDEREUQCSA-N 439.494 0.399 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826871566 HHEXIPQGDHLDAB-GOSISDBHSA-N 431.585 0.728 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOc1ccc(F)cc1)CCO2 1830255686 JAYIUUWSZCUBDV-OAQYLSRUSA-N 434.420 0.139 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830418482 ZDWJABPOIQPNGV-QUCCMNQESA-N 440.585 0.694 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc3ncccc13)CCO2 1831353824 VMUMCBPTZBFADS-HSZRJFAPSA-N 437.452 0.322 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1831434885 ICKOKLUSRSPMEL-PBHICJAKSA-N 431.327 0.961 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccn3c(O)nnc23)CC1 1831669740 XBVHCKXDNSJZHB-MRXNPFEDSA-N 425.445 0.756 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1832454158 DEOWEQXKKRSCBL-IBGZPJMESA-N 436.490 0.164 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015551 NPMSOLAYMHDTOL-YWZLYKJASA-N 438.550 0.827 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833132935 QUTRPXGVVAPYJC-QHCPKHFHSA-N 445.516 0.898 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833386922 XEAIIJZHZFAQPF-SFHVURJKSA-N 436.553 0.583 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccc(F)cc1 1835359156 YGTJDGGDXPFPRS-IRLDBZIGSA-N 446.479 0.763 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659776 VUOGUDWTTXWLOW-WHXUGTBJSA-N 446.592 0.966 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccnc1 1835675496 SMZUNLDPHRZGRW-DYESRHJHSA-N 432.525 0.182 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835731905 QQJXPMWACKOXCY-HZHRSRAPSA-N 431.541 0.772 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4nccnc4C(N)=O)CC3)CC2)C1 1836047246 DWAZGENVTLSVSG-UHFFFAOYSA-N 426.521 0.727 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1836288649 GQBLLEPWVZHJSA-SFHVURJKSA-N 437.378 0.451 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836859100 OJGBNWKGJCKSIL-JXFKEZNVSA-N 437.537 0.174 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837477948 SYJFGWAWRAPXLJ-PGRDOPGGSA-N 447.536 0.716 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837519283 XLQZQECIIIFLTR-AVRDEDQJSA-N 439.553 0.086 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837524622 CTTDVXSMGMUPOC-IOFJYKPDSA-N 438.525 0.068 30 20 ICED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)COC1 1837527235 ZAFQETJNUGLIIM-ZYPDDKLUSA-N 425.482 0.008 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837858506 JFAKGQRRBKNVTB-SFHVURJKSA-N 425.800 0.032 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1838582056 BAWKLNVTRLNREW-FQEVSTJZSA-N 427.417 0.334 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)c1 1838584116 QPWXZBYFPLDTNP-UGKGYDQZSA-N 429.473 0.816 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1839226866 FZXPTCCPORSGRZ-DIGZUXTDSA-N 436.553 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839240548 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C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1845130173 MEKOOCILMWGAMA-HOTGVXAUSA-N 448.520 0.995 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)c[nH]1 1847435969 LPRPIGREYJLHCS-DPZWOIPNSA-N 435.484 0.881 30 20 ICED CN1CCN(c2cc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)ccn2)CC1 57612849 LZJSPJUGQJUNOI-UHFFFAOYSA-N 442.545 0.642 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 430385209 IDFQEYVCLSBDSV-HKUYNNGSSA-N 435.546 0.925 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 434940585 YCJFBDPKJZAPQD-UHFFFAOYSA-N 438.488 0.999 30 20 ICED C[C@@]1(C2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)NC(=O)NC1=O 441213898 ZMDYQOPGNJGBJH-IBGZPJMESA-N 435.387 0.935 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441937625 ANGFCLYHCHRBFN-ZWKOTPCHSA-N 439.537 0.745 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447224554 XUSFWOAISWEQMB-AWEZNQCLSA-N 435.912 0.836 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCOC[C@@H]2C#N)c([N+](=O)[O-])c1 464794440 LVVBBIJZMMABQE-ZDUSSCGKSA-N 426.451 0.755 30 20 ICED Cc1nc(SCC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)c(C)c1C 469488181 PPPZGMINXJMEFL-UHFFFAOYSA-N 443.533 0.459 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 470713571 HDEUACFYMFXUOG-OAHLLOKOSA-N 434.399 0.549 30 20 ICED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1-n1cnnc1 477197065 ZJPOAUIAPLQRGN-UHFFFAOYSA-N 426.462 0.019 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OCC)n2)c1=O 477450390 SMQQLWJQKVGIPY-CQSZACIVSA-N 428.514 0.544 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 480876021 NWQBSSQQNANKFN-XIKOKIGWSA-N 432.483 0.519 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)cc1 487403118 YLSBCUPRIHYRMY-LJQANCHMSA-N 447.499 0.685 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 491077136 FWELVHMBUXXGIT-DLBZAZTESA-N 436.538 0.777 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccn2)c1=O 501762649 OJLFIKKRBRXILT-UHFFFAOYSA-N 426.498 0.383 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)o1 508059422 QOBOTLIPNCXWCI-UHFFFAOYSA-N 438.506 0.525 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 508366579 FQKVGYDATZZLCT-SJORKVTESA-N 437.518 0.028 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508922642 RNNMDWBTPQPJNM-HNNXBMFYSA-N 433.538 0.766 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OCC(N)=O 518076340 GOHHFMDRAGAYFF-UHFFFAOYSA-N 438.444 0.113 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)n1 538059791 SMJSBGSIEPRSCF-UHFFFAOYSA-N 429.525 0.867 30 20 ICED C=CCn1c(Cc2noc(CN(C)c3ncnc4[nH]cnc34)n2)nnc1N1CCOCC1 545638685 YTFYRBOKBQCTAO-UHFFFAOYSA-N 437.468 0.577 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)nc1 551429317 HFBKYCUQKWKNGW-SFHVURJKSA-N 439.476 0.100 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(NS(=O)(=O)N(CC)C[C@@H](C)C#N)CCC1 560015080 BOSUWTLSAWHPCI-HOTGVXAUSA-N 448.615 0.541 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 608911621 CCTZNFLFXYXZEH-UHFFFAOYSA-N 448.932 0.094 30 20 ICED N#CCN1CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 610112789 UEXIGFCKDVWFBX-UHFFFAOYSA-N 436.534 0.964 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CCC1=O 729971527 WTHGDEXYFLKBTH-OAHLLOKOSA-N 434.518 0.795 30 20 ICED C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 732447133 ALFDHLJTPAANQZ-FKEVTRRJSA-N 435.506 0.824 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2ncccc12 732909348 ABORKMSMMQCADX-OAHLLOKOSA-N 438.469 0.703 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 735189397 YRMHZCGZXDKDQA-UHFFFAOYSA-N 437.478 0.044 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1ncn(C)c1Cl)/N=C1/NS(=O)(=O)c2ccccc21 744079306 JDHSAKYBWOLUEC-VIFPVBQESA-N 445.910 0.396 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H](O)c2ccccc2)CC1 747834632 OPURUEBMPVXBOU-HXUWFJFHSA-N 443.481 0.668 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756232408 TWFAJXSWIQJDOK-LUVWLHFXSA-N 425.416 0.700 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCCC)c2)c1=O 758066689 BPPHXSWNSRFIMA-UHFFFAOYSA-N 437.521 0.694 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnc3ccccc23)c1=O 758076550 PFERWCOLKUMCCY-UHFFFAOYSA-N 432.505 0.747 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)c1 769887997 XZGSGKCAUWRBGC-UHFFFAOYSA-N 447.582 0.934 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)n(C)c1=O 771311651 OSGQKVIFKMUGBM-UHFFFAOYSA-N 436.346 0.927 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCOc3c(Cl)ccc(Cl)c32)c(=O)n(C)c1=O 771897230 KCHUZAXMGGQLKM-UHFFFAOYSA-N 433.273 0.856 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)[C@H]1CCCO1 773786359 GPQQSALYXIBCMC-VXGBXAGGSA-N 437.474 0.194 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[C@H]1CCCO1 773792982 FLTZMYBJUNCKMX-HZPDHXFCSA-N 434.880 0.394 30 20 ICED C=C(Br)CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 775220731 ANRIAIPYWLCGJP-UHFFFAOYSA-N 446.323 0.349 30 20 ICED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 775328230 KEQZZYHEFIKQJZ-ULQDDVLXSA-N 428.532 0.065 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 777287744 NQJOFVAXJSDABX-CQSZACIVSA-N 431.493 0.821 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)CC1 779766261 DBQISRGFDHJORH-OAHLLOKOSA-N 429.554 0.655 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1 782569081 BCTPOATYFDPLFR-UHFFFAOYSA-N 435.527 0.778 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2nnn(C)n2)cn1 783007658 XCKNEWSLTPGSCX-GFCCVEGCSA-N 441.481 0.377 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CCOC 783941100 APCLGCYZMVKHSI-UHFFFAOYSA-N 448.888 0.923 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 785156102 OXDAOZCUDOXPFZ-UHFFFAOYSA-N 429.473 0.806 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 792658343 LODXVGVXVJJBJU-QGZVFWFLSA-N 437.481 0.514 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 795191582 FVILMFCGKRPWQB-UHFFFAOYSA-N 435.509 0.731 30 20 ICED N#CC1(OCCOC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCOCC1 809086500 QTQUGHKWMQSIBZ-UHFFFAOYSA-N 437.474 0.053 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](C#N)C1 811042905 SKTNVXJLIGEZGQ-GDBMZVCRSA-N 433.490 0.712 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 901417051 PEGDNDWIHYEVOW-CYBMUJFWSA-N 441.510 0.371 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 913301221 PIFXODUBPLUKPM-CYBMUJFWSA-N 437.474 0.180 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)c1 918262543 RDNPXDUIDGFRAY-HDHZYAPQSA-N 434.474 0.881 30 20 ICED COCCn1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 918447203 DRNKUHDXJXBDQV-QJOMJCCJSA-N 448.505 0.920 30 20 ICED C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N(C)CCC#N 919647657 KSYOJZCLNXENEO-UKRRQHHQSA-N 449.485 0.927 30 20 ICED Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cccc1C(=O)N1CCOCC1 919793522 AALMEOVVNKNGAB-UHFFFAOYSA-N 436.472 0.901 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc12 1318832396 JHRCYZWLIIXYKS-IRPICPOESA-N 430.490 0.704 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 1325012951 VZLPXZXBHWNLIY-AWEZNQCLSA-N 425.470 0.178 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(O)(C(N)=O)CC3)nnc12 1325316860 SZYLKAMCDRWMGS-UHFFFAOYSA-N 442.501 0.161 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1503361681 XULPDSLHUGYACM-WMZOPIPTSA-N 426.525 0.945 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C1CC1 1515734384 LISACGCZGMYNOL-NVXWUHKLSA-N 439.586 0.691 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1541927512 LSRAANBOYSXBAI-SJCJKPOMSA-N 429.522 0.635 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1552887583 LGELTIKEPWJITN-AWEZNQCLSA-N 444.583 0.202 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CCO1 1554452460 XRZLITSMKMMXSH-YJBOKZPZSA-N 427.509 0.630 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1 1644037327 PFLSZJHCCAGTFO-UHFFFAOYSA-N 437.481 0.801 30 20 ICED CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC12COC2 1680779111 SBDHPYTXHUAWMX-MSOLQXFVSA-N 426.473 0.880 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1690329615 YPTFMTSRUXJZQR-VXGBXAGGSA-N 427.980 0.900 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740736651 NQIYEDQPTIOYMJ-UHFFFAOYSA-N 442.362 0.535 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCOC1 1741675247 UPVBXKCOOOUMQE-OAQYLSRUSA-N 440.508 0.161 30 20 ICED C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1761365161 ZBXGTLSMOIGXLZ-CYBMUJFWSA-N 439.567 0.899 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1779104783 OGSOGXVCNMEVGG-VYUJJKDHSA-N 437.522 0.748 30 20 ICED O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=C/C(=O)c2cccs2)C3)=NN1 1779307853 MQGBWLYYMYSPNI-OQBWYENPSA-N 444.513 0.877 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180796 QLDRUUIZOYGBMR-FQELHTAISA-N 425.493 0.942 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860613 IQJRSZBRQFVAFM-UGSOOPFHSA-N 433.452 0.871 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782198217 MIZYBLFJSLTHNL-NRFANRHFSA-N 437.456 0.831 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658361 CIUCWANNNJPGNV-JOCHJYFZSA-N 440.887 0.778 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567069 FJUGWCSQKIYSRL-BTYIYWSLSA-N 435.477 0.304 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1784380698 WPCCDEMBVPVRED-YEWFCNIMSA-N 440.500 0.386 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785554946 GFBBWFKOVPHDDI-YZZKKUAISA-N 427.501 0.673 30 20 ICED COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678953 UQCSMGKYOLDOPW-AESMULHNSA-N 443.504 0.835 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789197758 BGTXRBFCEJBNCR-PWDMQXDWSA-N 445.545 0.637 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(NC(C)=O)c1)C2 1793345686 ZWGNCHFKWOFTBE-HEFCWWFNSA-N 443.500 0.895 30 20 ICED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)C(F)(F)F 1793694508 RHIAAWNZCSXEND-CSHUHZATSA-N 441.406 0.840 30 20 ICED O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794035511 VDQOPCNQJVXOOE-FGZOEHTFSA-N 441.488 0.436 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1796444198 DNFDEUDXOZWLFY-RVIYANCUSA-N 431.514 0.603 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnn2cccnc12 1797368126 ZHWRTMXFOWSUBW-WRGDSQCOSA-N 425.493 0.404 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1797808730 PDBHLPQEWZXGSH-QHITYQDRSA-N 437.884 0.862 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797811781 VYWOWQAILHCUSM-LAAGBAHQSA-N 436.425 0.050 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n(C)n1 1798167403 CRSYQHFHZPQDBT-UPHUGPLXSA-N 428.533 0.884 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128558 VWJGQGRNPXIZPB-PDOICOKGSA-N 431.537 0.513 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050185 LWSIVJPPPWOLBX-UNMKOGDSSA-N 435.521 0.361 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2)n1cnnn1 1801438183 YUCQLQRHLMLXMM-MBMVNNNZSA-N 429.868 0.663 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CN(C(=O)OCc2ccccc2)C1 1801580952 KAGQFNLXCPTARV-REPLKXPHSA-N 439.468 0.981 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1802042399 URTTUUZPGZPULZ-DKWZOFSHSA-N 437.537 0.781 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802150978 SZYHPWWQWHPCKB-CYGHRXIMSA-N 437.537 0.654 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)O1 1803646953 SZPXNEUYHMJULE-JBBDFWGCSA-N 425.445 0.908 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666601 XLIZUOPYIBASKB-ZBPRQTFLSA-N 433.494 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817292620 TWHJJEOMFPEKPA-IDTUSYRASA-N 428.497 0.100 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022585 GOXDIWIAGAZOIO-YJBOKZPZSA-N 427.571 0.643 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825199974 UQZKMDRQAKNQCT-UONOGXRCSA-N 430.530 0.890 30 20 ICED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828922469 IMSNIJVMTOCZPF-NRFANRHFSA-N 430.461 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829643837 RVYMUMJIHKYJID-YAAATUCXSA-N 441.475 0.737 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C(=O)C5CC5)CCO4)C3)c2c1 1830602817 HLWZHWWOIKEKCW-QFIPXVFZSA-N 437.456 0.484 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830859526 LISRQMSNEUNGDP-GMAHTHKFSA-N 429.517 0.964 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831215402 KQSPYDPQLLPFAQ-QFIPXVFZSA-N 427.457 0.352 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1831412939 JASCWOOQCLZOBC-YLJYHZDGSA-N 444.550 0.003 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1831425320 CBGPSBLEJJKLOP-NJNPRVFISA-N 432.521 0.930 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993969 OLTWTWNLNWWIKZ-KKSFZXQISA-N 441.525 0.976 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832046966 PKSMOPZNNLJXSU-KKSFZXQISA-N 436.509 0.756 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)nc2s1 1832104161 LYHAKUXRRAMVAM-IBGZPJMESA-N 432.506 0.402 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1833467816 BMFNWMICQFRPJE-DLBZAZTESA-N 435.569 0.304 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833509393 HQCSQVYGELWUBT-OAQYLSRUSA-N 448.476 0.065 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 1834602364 NTMBZFRKFVVBCO-UHFFFAOYSA-N 431.558 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1834716742 SRWOHOWLWPHBPR-UHFFFAOYSA-N 431.541 0.582 30 20 ICED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)ccc1F 1835068111 MXKAAJVUFJPRER-FQEVSTJZSA-N 430.528 0.097 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835167365 PZIYWSWKMJBLDE-JOCHJYFZSA-N 429.473 0.964 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)CCO2 1835184296 HRIPWXZBNCNSLD-JOCHJYFZSA-N 448.541 0.639 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835702571 VWBAMFKZSYPTGS-SPEDKVCISA-N 432.521 0.111 30 20 ICED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1835732008 BNKIVRCBCMSTRT-HZHRSRAPSA-N 430.557 0.472 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155942 UXUHNWCQRJIZLW-JTSKRJEESA-N 428.489 0.995 30 20 ICED CN(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1 1837325977 XMCHHBYBMHXYNW-UHFFFAOYSA-N 428.489 0.848 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837393460 RTPYRXRUJKMTMK-XMSQKQJNSA-N 433.505 0.490 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1837393553 VHYPZDJRSGIRGV-AUSIDOKSSA-N 431.533 0.962 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837443251 AOGYADXLRTWXPT-HLQTZPMBSA-N 433.484 0.762 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837526033 BJVCXLIVOUDVFQ-OMJZWIOZSA-N 448.476 0.386 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568304 CNFCYPBSGWIQCU-QFIPXVFZSA-N 445.472 0.209 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222582 SHCMTJGUMSBDLC-ACJLOTCBSA-N 440.526 0.451 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839224706 ODOFTDBYEXQCDV-AUUYWEPGSA-N 439.538 0.646 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423415 ZVELJWYFAKILSF-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1ccnn1 1839710290 IYBIDYBRCNHOPU-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1839808963 MMOUCVHZSLOVEB-JOCHJYFZSA-N 429.473 0.343 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1839810504 AFOTVWQGYOXCOF-KNXBSLHKSA-N 433.505 0.476 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839842777 GHIBITSSJNIFGJ-NYHFZMIOSA-N 443.504 0.613 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839887181 ZBXNKVKWRYHYIP-INIZCTEOSA-N 431.465 0.861 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840158191 IKKUWBXSVOBJBG-YCRPNKLZSA-N 449.529 0.759 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1840717175 LHFNTWFWSBVOIY-VFNWGFHPSA-N 429.477 0.052 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CO)c(F)c4)CCO3)C2)c1 1840783463 GYSBBIOBXLGPEL-JOCHJYFZSA-N 442.447 0.902 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841895172 DVAPGDKKWIESNR-QGZVFWFLSA-N 444.557 0.861 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c(Cl)c1 1845488012 NOCFQLBVIUDYSQ-UHFFFAOYSA-N 438.835 0.468 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1847240118 YWFKKDIKUQNBNJ-BCYZHJNNSA-N 449.548 0.844 30 20 ICED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 17222823 NVCGCNRHEQQJGF-UHFFFAOYSA-N 432.458 0.625 30 20 ICED COCCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 409678321 BGCKCLKEZFKOIO-UHFFFAOYSA-N 432.506 0.617 30 20 ICED CCOC(=O)c1ncn(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1N 429716758 KXAHFCITDWXMTB-SFHVURJKSA-N 445.568 0.971 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1=O 440265408 AHKKAVRFSFOYBE-SFHVURJKSA-N 428.489 0.651 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 446546530 IWOXSRPUYAVNOF-OAHLLOKOSA-N 439.490 0.184 30 20 ICED C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(S(N)(=O)=O)c1 464824346 VGIMGKICCNYFSA-KGLIPLIRSA-N 429.506 0.977 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccsc2)c1=O 479367473 OVZZOITUGQINQI-HNNXBMFYSA-N 441.538 0.492 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 480111265 IQCAFPSSBIUSEI-HNNXBMFYSA-N 427.486 0.605 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 481217442 GHFHSFCGILNQJO-HNNXBMFYSA-N 439.475 0.843 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 484213189 RWMKUMBERNYPER-MRXNPFEDSA-N 438.444 0.487 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486614303 FZHJLPOJOHVNOG-SFHVURJKSA-N 434.518 0.769 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487499455 LTAPSEXLYFJHKP-GOSISDBHSA-N 433.534 0.772 30 20 ICED CN(C)C(=O)COC[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(C)(C)O1 501910580 WIRQPXYUQQWYNB-QGZVFWFLSA-N 428.489 0.558 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1 502333690 BSMYVIRKNKNALQ-UHFFFAOYSA-N 432.524 0.100 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 508047118 USBKIMMNLKQIME-HXUWFJFHSA-N 447.495 0.888 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc1 508059403 QJZLVFYLYWIPLE-KRWDZBQOSA-N 447.561 0.738 30 20 ICED C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CC=C)CC1 508791533 BLJPUNWGTVADKD-UHFFFAOYSA-N 444.561 0.959 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccn3)c2=O)cn1 523576416 XFWDYRARASLEQS-CQSZACIVSA-N 438.513 0.165 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCc1ccccn1 525778075 DKRJZMJRKUWHTG-UHFFFAOYSA-N 434.521 0.943 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)cn2)C[C@@H](C)O1 550153877 AZKVMNYDPPRBAN-HUUCEWRRSA-N 436.472 0.918 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 551159140 ZLDCEWOCGHLIEI-LJQANCHMSA-N 439.520 0.444 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 553569546 GWTJWNNQOSDARZ-CQSZACIVSA-N 436.581 0.598 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1=O 560637209 XGLXGBMSTIPWJB-ROUUACIJSA-N 428.489 0.666 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CCN1Cc1ccccc1 561108417 LHZZVTPFXFQOHT-QGZVFWFLSA-N 434.435 0.976 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 583643702 UVFKOAFAIOEVPD-GJZGRUSLSA-N 426.543 0.292 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(C)C 603796338 NPGSIPMTFSRWNV-UHFFFAOYSA-N 430.486 0.740 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 609354881 FFMXIHCOQLTXGY-INIZCTEOSA-N 441.492 0.978 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 619538532 FJBUYAPXVZVRKO-UHFFFAOYSA-N 446.488 0.870 30 20 ICED O=C(Cc1ccc2c(c1)NC(=O)C2)NCC#CCNC(=O)Cc1ccc2c(c1)NC(=O)C2 681338864 HVQUWNZQFRSOMD-UHFFFAOYSA-N 430.464 0.697 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2cccc(O)c2)CC1 725903351 HWGIJAWJYLVUEA-UHFFFAOYSA-N 442.497 0.805 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 726584994 OTIZIWJMHKPRMY-UHFFFAOYSA-N 425.489 0.851 30 20 ICED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 730102149 JPRLANVVFMYDKE-GFCCVEGCSA-N 434.547 0.939 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)C)c3)c(=O)n2C2CC2)CC1 732796312 BRBHPAUYQULQOZ-UHFFFAOYSA-N 440.573 0.689 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1-n1cnnn1 755552244 MSNSOPFPPIINQV-UKRRQHHQSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)c(F)cc2F)c1=O 758052762 RYXVYWSXHLUPMP-NSHDSACASA-N 435.427 0.614 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758055421 OPIJIWPASHZCOC-UHFFFAOYSA-N 439.493 0.700 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(F)cc(F)c2)c1=O 758060498 DQFSVMUJCZSPEJ-UHFFFAOYSA-N 442.491 0.488 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758070339 BATSPSMCDQVEFT-UHFFFAOYSA-N 433.468 0.649 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758321594 CAMOEAQBCCFDBQ-DZGCQCFKSA-N 429.543 0.859 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)C2(C#N)CCCC2)cc1)S(C)(=O)=O 773644236 OMWLMDLJDOZRPN-UHFFFAOYSA-N 429.520 0.991 30 20 ICED COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1NS(C)(=O)=O 774169124 PVNBQYOBLNPWRI-UHFFFAOYSA-N 432.462 0.500 30 20 ICED N#Cc1ccc(N2CC[C@@H](OC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785658563 DNRXGQRFOASDOA-PKOBYXMFSA-N 426.473 0.387 30 20 ICED C[C@@H]1C(=O)CC[C@H]1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796232591 KUJPQKTYYQBQTH-HOTGVXAUSA-N 447.513 0.940 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 801301354 PCDYCYDYLPCFGU-OAHLLOKOSA-N 430.454 0.321 30 20 ICED CCOC(=O)N1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 804401397 KMPGXTBOLCNOCL-UHFFFAOYSA-N 428.493 0.729 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)nn1CCC#N 815799296 NHWUHWMKSIAYDA-UHFFFAOYSA-N 432.481 0.892 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1Cl 914652763 HBPDBRXXYQSNGD-TZMCWYRMSA-N 439.877 0.729 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 919581860 FGFPRAUTHNGQQN-UHFFFAOYSA-N 431.474 0.290 30 20 ICED C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1n1ccnn1 1129937747 FUAIYDOAQSMBHK-YSCDGHNMSA-N 426.521 0.244 30 20 ICED N#Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 1189601790 SRUDYYOZJXDUTL-UHFFFAOYSA-N 437.865 0.428 30 20 ICED C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1302505897 KRPVAYLNGHZMET-LJAQVGFWSA-N 448.574 0.809 30 20 ICED CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1314253263 NXCCRWDXHIYNGR-BQJIDLTASA-N 431.541 0.523 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCNC(=O)C2CC2)cc1 1316534208 SARNLXSIPUKDQI-QGZVFWFLSA-N 437.504 0.957 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1CCO[C@@H]1CCCCO1 1341800998 BJAAQKNBLZCZNS-NVXWUHKLSA-N 438.506 0.314 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc1 1452242563 FXMWAKHCQPLJNB-IIBYNOLFSA-N 448.545 0.947 30 20 ICED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507855797 ZXKKDUWFXAGVSV-UHFFFAOYSA-N 432.916 0.888 30 20 ICED CC(=O)N1CCC(N(Cc2cncs2)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1556748421 UTUYHNLQLVNHEV-UHFFFAOYSA-N 430.490 0.707 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1=O 1641372221 VMRGNEYEVBGGET-ZDUSSCGKSA-N 432.424 0.070 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1642919150 JYNUUKSZPBJFIT-QUCCMNQESA-N 434.562 0.992 30 20 ICED CCc1nc(C#N)cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1651596397 YZDGXQZCCRZQEX-UHFFFAOYSA-N 436.538 0.982 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1663337360 ZDSNGNQENKODKB-UHFFFAOYSA-N 442.491 0.115 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1750995539 NPWHIPDRAIFEKE-INIZCTEOSA-N 438.492 0.467 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1752525534 NGXAZCMIXJBQPB-WIEQDCTASA-N 439.524 0.767 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1767845031 RNKSJCNJTRFCQW-KRWDZBQOSA-N 445.549 0.718 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2s1 1777988061 INSBZIBTFWHBNO-OAQYLSRUSA-N 426.498 0.921 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1778740389 KNVRIBOFYPAVBT-VOLVWJTLSA-N 449.548 0.751 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1779021436 GZDJKCOSEAWBDV-SGCYSOCQSA-N 427.505 0.701 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1779065147 SGFAFPGGQQDQFP-QHCPKHFHSA-N 443.500 0.538 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779318061 GXDBZGVVNOJHLJ-UGKGYDQZSA-N 428.489 0.347 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171028 HZGUBKKFNZBDSV-UZUQRXQVSA-N 425.485 0.978 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781856041 VRDTVRRKIMDKMW-WMZHIEFXSA-N 443.500 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C(C)C)n3)C[C@@H]21 1783529106 CMDDYYIGTBKIQE-ORIYOMJCSA-N 445.520 0.574 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]3C2)c(C#N)c1 1784600025 IUYSKZOXQKPOJD-VTCANLHHSA-N 442.516 0.601 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785379280 UEBIOQPJGXQOSI-HSZRJFAPSA-N 441.532 0.014 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1785379750 DKMWCPMLZUHMNC-FQEVSTJZSA-N 440.416 0.712 30 20 ICED O=C(Cc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1785423270 YCKMXIIZKSBFDP-WCSKPKODSA-N 431.493 0.528 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H]5CCC(=O)N5)[C@H]4C3)c2c1 1786676403 GWQMGTVQUGOGFF-PLYYQAHHSA-N 436.472 0.306 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](N)c3cccnc3)[C@H]2C1 1786925560 ICMZOQLSRFYYCM-GVHVCVEVSA-N 441.532 0.310 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789768259 FLRHXKSZWUDBJK-RABCQHRBSA-N 447.576 0.940 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749229 LVIDETLKLATLAH-XAJHFOFHSA-N 429.539 0.344 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)ccc1F 1792694442 ZYGVKPFRKCKYPK-YQYWCBKUSA-N 439.237 0.879 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792778375 ZUHZMXDORZRRGV-VPTLXERWSA-N 432.473 0.870 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)ncc1[N+](=O)[O-] 1796599291 BQROAFIVDMSLHG-JLVBRIDZSA-N 444.492 0.783 30 20 ICED CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797608745 SJMFYPPYTFIUFA-SGFLSRHTSA-N 429.539 0.264 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2 1797713197 GMVCEQDPYKMCTI-CYGHRXIMSA-N 427.505 0.814 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C(C)C)n1)C2 1799302658 IYHXIJZAJWHJGW-CCWDJLKJSA-N 434.493 0.835 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)C2 1800454146 XNANCNZRFFEYFY-CCWDJLKJSA-N 443.504 0.470 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801656977 FIBYLNHZSMKAMA-IZZQQSIFSA-N 429.473 0.498 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989113 ABTHTKBYYVJTOU-OPMZPASUSA-N 428.489 0.395 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802150539 INKYLYZBYBMWNC-YALNPMBYSA-N 425.526 0.816 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804087176 FRCFTJKQPJIOCF-OGWOLHLISA-N 429.477 0.230 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)C1 1806003278 PFZQCFAVARUBIV-LJQANCHMSA-N 432.565 0.420 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808845348 JFBFEDUCEUIOAQ-NWGLXNPWSA-N 432.525 0.481 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812392140 MLLXXYARGKSTRH-KYJSFNMBSA-N 447.492 0.431 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1813035848 AADNXVQBTAQCGK-QILLFSRXSA-N 440.591 0.831 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813174056 ADKBZOUNNAOARD-WZONZLPQSA-N 440.500 0.995 30 20 ICED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815211484 KBGJPWCRZKTRKT-RISCZKNCSA-N 441.452 0.433 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815768896 GCERLXLJKFIUHJ-BTKDNQOKSA-N 441.448 0.712 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1819367256 QJTMQZPOBZKQJF-KGLIPLIRSA-N 435.481 0.518 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=O)N(C)C)CC1 1823878296 WXYYDUUNSVSZFT-GIFJBRJJSA-N 433.553 0.736 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1829764424 LJQJITWYEKAKCG-WOSHCDCZSA-N 429.473 0.608 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966043 FEGRRBFTPMDQLP-LQWCGFJLSA-N 447.492 0.005 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1831391529 PWFLVBUQSJLRAP-AUSIDOKSSA-N 430.501 0.698 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1832929853 WVMJFWRNAWRJFK-JOCHJYFZSA-N 439.472 0.871 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833293049 XQSHYIXGSWCTEE-QVKFZJNVSA-N 443.529 0.927 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834028821 ZXYSUWZUWMDEJB-OVIGCCJXSA-N 433.465 0.076 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097092 SCSQBOMALDKFHN-BREAQWACSA-N 426.469 0.614 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)c1ccccc1 1835351972 HKMKVDARTACRFI-DENIHFKCSA-N 444.488 0.844 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2s1 1835356832 OXVHTDRVFCKXJY-FQEVSTJZSA-N 445.501 0.438 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359870 MIAXTYGGIPTCEL-QGZVFWFLSA-N 429.399 0.813 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1)c1cccs1 1836520938 YVHKDRPPXOYVRC-DMDWLKPBSA-N 434.514 0.980 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837398472 BIKXJGCJJBJDEK-PGRDOPGGSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837402933 MGDSMCMEZPNGAB-PGRDOPGGSA-N 434.537 0.693 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc(O)n1 1837443308 DGZUMIHJSXMILP-XMHVBLFMSA-N 445.520 0.637 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccn1 1837446591 FBUAHQHXDZGURI-AVBGGIPMSA-N 432.525 0.372 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529270 QSCQSMNYTHYIBG-PIVQEWKSSA-N 446.504 0.989 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837559822 AEAVCJZTHPYJKF-KQKDOZOKSA-N 431.445 0.482 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404194 BIAQMTPVCZOBLX-QHCPKHFHSA-N 435.565 0.829 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838477881 OYKYNMGREPTGTQ-KSFYIVLOSA-N 447.488 0.453 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]cnc4C)C3)C2)c1 1838581989 YWEOYIRAOFDSIC-QFIPXVFZSA-N 439.472 0.982 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732782 ZXQYLODMCUAPEY-JOCHJYFZSA-N 439.472 0.603 30 20 ICED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CCC1=O 1838905551 LZWUQZGEGWQBEC-QFIPXVFZSA-N 439.472 0.236 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c(C#N)c1 1839133536 VDSLIYXAMQMYIY-JPYJTQIMSA-N 443.500 0.602 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1839451960 ZMJFPKGVZMTKBQ-OAQYLSRUSA-N 425.445 0.679 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549764 PXBUBBBSCLVYHR-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839843707 KXIQLXWMMVKLHW-GCKMJXCFSA-N 441.525 0.498 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839880483 RGKJABSLHLICNI-SPLOXXLWSA-N 448.907 0.806 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017130 SOAZEDUJULHTRJ-VSDWSMLSSA-N 438.484 0.657 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ncsc34)C2)C1 1840042486 XHFTWEKDMXSLJX-HXUWFJFHSA-N 429.454 0.454 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840100947 OGUXMDUCBSACHO-FDDCHVKYSA-N 440.500 0.531 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1840144981 RIAVVKZWFKDZDB-YVHKJVDXSA-N 435.521 0.972 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840158757 QPGXAFFJCPPXIY-FOIQADDNSA-N 439.603 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840198360 AUHPEIACUNXEGU-TWOQFEAHSA-N 430.567 0.130 30 20 ICED CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840312084 LBFXFMPQZAMOAI-FNNXTJRKSA-N 429.473 0.944 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410145223 YABWKXWLDHPEGI-HOCLYGCPSA-N 437.518 0.760 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 433644837 LPGPMFNLYXTAPZ-NSHDSACASA-N 426.513 0.561 30 20 ICED CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 439972543 KGRNKQWTYBHBSC-LJQANCHMSA-N 445.483 0.952 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 441179509 DZSCWPIGLQGQES-OAQYLSRUSA-N 443.460 0.359 30 20 ICED N#Cc1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)nc1 462297774 OYGZBNWQRPCVMI-QGZVFWFLSA-N 440.485 0.055 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1S(C)(=O)=O 465414102 FYOGYTBRQVTGKM-CYBMUJFWSA-N 428.474 0.428 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465505553 XEIYZDYUHQARMD-ZDUSSCGKSA-N 436.519 0.156 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)o1 471215555 KFAGBRDIRXVZFT-UHFFFAOYSA-N 441.513 0.536 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480930455 RDXZCEISWWTAOA-UHFFFAOYSA-N 442.472 0.741 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OC 481566883 BVJBSFQMXBOFHP-HNNXBMFYSA-N 438.499 0.998 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 482144370 VLLZXCAVNFQHLZ-AWEZNQCLSA-N 435.506 0.820 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)cc1 484039563 JBRBNOPJNRSJMH-UHFFFAOYSA-N 438.550 0.659 30 20 ICED C[C@H]1c2nncn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484718126 WUDAAVXREVFDJS-HNNXBMFYSA-N 429.506 0.059 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1 503127287 RMULAVKGAMHUHG-MRXNPFEDSA-N 446.533 0.962 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 515856309 QZGRAWLURYEFBW-BVZALQNUSA-N 440.500 0.572 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(C)(=O)=O 536207444 APTITXFMCYAPSG-UHFFFAOYSA-N 427.486 0.953 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1=O 544867796 VRZMVESWAQINDB-UHFFFAOYSA-N 445.277 0.702 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(N)=O 546622398 BNJYGNMUKXTFEK-UHFFFAOYSA-N 432.933 0.776 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOCC 548895286 ZLICFQACUBOIGP-UHFFFAOYSA-N 441.509 0.523 30 20 ICED COc1ccccc1N1CCC(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 552313531 JGDCAWHWLJZYFG-UHFFFAOYSA-N 439.520 1.048 30 20 ICED CCOCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 553806079 BETUVCKJTYGPEQ-GOSISDBHSA-N 431.512 0.963 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCOCC1 559552051 QPUISAPNASRRRO-LEWJYISDSA-N 427.549 0.696 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 560051484 LFVFYEOUAWRMRF-UHFFFAOYSA-N 442.501 0.290 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)CC1 561414840 DXPUVOIWIHOIKR-UHFFFAOYSA-N 435.613 0.696 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 565119727 NQNICZDGMPYMEG-OAHLLOKOSA-N 428.514 0.437 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 580477418 MRUHDTMTNVYZTD-YSVLISHTSA-N 442.563 0.449 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 581876721 QCVLNUWCERARPN-QGZVFWFLSA-N 439.495 0.865 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 587648404 XJTKBNSPDNUAHX-UHFFFAOYSA-N 448.531 0.794 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O 589160732 NPIZXCASBAEJKO-UHFFFAOYSA-N 448.570 0.362 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(C[C@@H]2CCOC2)C2CC2)CC1 603662297 OJZYSEAAJJUEOT-KRWDZBQOSA-N 432.546 0.892 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C 609942326 YFDQQPFLCKBZFA-UHFFFAOYSA-N 442.501 0.505 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492478 PZYQBAMMAQRXEU-UHFFFAOYSA-N 446.460 0.951 30 20 ICED COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 619631876 YHDFPEHKPCIUFR-UHFFFAOYSA-N 430.446 0.673 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 728533946 BZDKWOINHDPVTI-UHFFFAOYSA-N 444.513 0.265 30 20 ICED CCOCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 732508668 UJAXSFFBQMCUSF-UHFFFAOYSA-N 429.520 0.441 30 20 ICED CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CCOC)c2)c1=O 743727277 HWMPNXNSRHHFCH-UHFFFAOYSA-N 437.525 0.553 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)NCC(=O)OC 744594228 OMAQDMDXOZRJLH-LRTDBIEQSA-N 429.429 0.372 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745483432 RNJBJJGNHFBSNS-RGCFKVTRSA-N 449.423 0.388 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 758089357 MBFYPUFDULDLJE-PBHICJAKSA-N 429.882 0.331 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)c[nH]1 765145692 MALCVBGPMUQSNH-UHFFFAOYSA-N 426.454 0.789 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 767422734 NCWBCLYFJYKUHS-UHFFFAOYSA-N 435.502 0.807 30 20 ICED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 779546848 MQTDMSZJFGEDQJ-BQIFBJFJSA-N 449.533 0.550 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(SCCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 783478984 HRLHYYJMCYECBU-OAHLLOKOSA-N 438.527 0.929 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1 786754332 WPBDKSSOESKKAR-UHFFFAOYSA-N 432.502 0.211 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n2)CC1 787542848 CRLLONOUHODWOP-HOCLYGCPSA-N 445.524 0.964 30 20 ICED Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 790376813 ICAFPHDPRDJRFD-HUUCEWRRSA-N 440.526 0.483 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 804114362 VLLGWXZKSVUPHV-OALUTQOASA-N 433.530 0.774 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1 806214364 HFLMBGCMPKTKBM-GOSISDBHSA-N 441.463 0.552 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)c1 807545793 LKQNZWSNOPREAD-OLDCTRRGSA-N 435.506 0.162 30 20 ICED COCCOCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 808961845 FZGSBCYFOUQFDT-HEHNFIMWSA-N 440.522 0.559 30 20 ICED CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cc(CO)on1 812221442 BSNJQUMQUAOEDL-UHFFFAOYSA-N 425.423 0.932 30 20 ICED N#Cc1ccc(NCCNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 915917567 DQZSVFKTGKMZAD-UHFFFAOYSA-N 444.517 0.885 30 20 ICED 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0.372 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835707987 BFLYZGKGIAPYAQ-FHJLPGHOSA-N 427.501 0.690 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835713507 ZJGSGQLVRLBWPS-KRWDZBQOSA-N 447.536 0.646 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1)c1cccs1 1836520601 NIWGUQYLYXFBKL-GWBCNSSESA-N 446.525 0.836 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836859108 PCWIPTFPCLWYFC-IBGZPJMESA-N 434.581 0.271 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1837398764 HZRZFLGNYVAAFY-VGOFRKELSA-N 433.505 0.733 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837446464 BXTMMQZZZIQASF-RORQMLAVSA-N 446.552 0.681 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837525019 RNUTVSVFVNBWRN-OBKNTDCBSA-N 447.492 0.384 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccncc2O)CCO3)cc1 1837813501 MJUCPBDXEDVCQA-QHCPKHFHSA-N 436.468 0.972 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838257191 FQXLPFZNAAEKLP-QRWLVFNGSA-N 438.912 0.773 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1838834754 WJMKPPBRLYCXCJ-HXUWFJFHSA-N 428.449 0.012 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186040 WSHQVNSSXYEDAU-NYHFZMIOSA-N 446.479 0.208 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c([N+](=O)[O-])c1 1839233024 QHUNMNKANQFJOH-HXUWFJFHSA-N 432.433 0.516 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1O 1839474144 LWEIZBBLPYCIIV-ZUOKHONESA-N 437.518 0.739 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497097 SBKFDHVRRSOGKH-HTAPYJJXSA-N 428.489 0.995 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1839783953 POKRJEIXKDNKAV-RXVVDRJESA-N 447.513 0.205 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810860 VVWPMJVETNITOJ-IMRHEYAYSA-N 447.532 0.723 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840160964 AAOCGXFNAOVCIM-OPAMFIHVSA-N 447.557 0.807 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840198577 GJLQCFXWPPGGBE-BBNMULTHSA-N 442.582 0.029 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1846827936 WVGLBFYSRMEUQN-ZDUSSCGKSA-N 432.444 0.570 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 1847102073 WWEQKJMRAGGKBO-NYHFZMIOSA-N 430.505 0.196 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)c(C#N)c1 1847950676 VSLXTXJBAMCKFV-OALUTQOASA-N 436.468 0.626 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1=O 22068818 SHCYWPVSTSFNFB-UHFFFAOYSA-N 425.445 0.075 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c(=O)[nH]c1=O 29858862 XBLMCBPOFYQHRV-UHFFFAOYSA-N 428.468 0.790 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 409566914 FYQBBDJKDSXHLW-UHFFFAOYSA-N 428.486 0.456 30 20 ICED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 443824189 FPHHAFYFTLHPEU-ZBFHGGJFSA-N 446.508 0.819 30 20 ICED CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464855359 HHEHZKGFMSXFRJ-QGZVFWFLSA-N 427.553 0.964 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)c1C#N 472865356 VPXUANHQFXXMIL-UHFFFAOYSA-N 429.868 0.640 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC([C@H](O)C(=O)OC)CC2)c(C#N)cn1CCOC 481434664 KXMVMYSIQVDFDQ-KRWDZBQOSA-N 436.465 0.961 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500886406 GHKRKEFMGVWTTA-NXEZZACHSA-N 439.266 0.832 30 20 ICED CNC(=O)Cn1nc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 504573030 PKKMANWADYGXIE-UHFFFAOYSA-N 445.505 0.348 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)NC)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 511737037 KBIFQQPYZZNHOS-HNNXBMFYSA-N 433.538 0.914 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 511936160 VLVMVXOEAOVRTG-UHFFFAOYSA-N 434.499 0.896 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1cccc(OC)c1 512762747 VQTRNOFKOXIYIM-UHFFFAOYSA-N 435.509 0.929 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C2 516099744 WZSUGSXBVVAUDM-UHFFFAOYSA-N 430.490 0.537 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 524996637 XYEMECCXXKTBRH-UHFFFAOYSA-N 446.489 0.208 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 534195642 KGSXLTGOKCHXQH-UHFFFAOYSA-N 428.468 0.705 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC(N)=O 546076119 IDJHORYSJRHOTC-NSHDSACASA-N 443.481 0.251 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)C1=O 552633337 VEXBSIKYVAUYCO-RTBURBONSA-N 432.496 0.561 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 562132503 QPWQLBNKBFGASK-HNNXBMFYSA-N 427.440 0.315 30 20 ICED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 567212939 QPWQUPSIXNQZON-UHFFFAOYSA-N 449.463 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)c1C#N 583719456 NDBSTTWJPITLOQ-JQHSSLGASA-N 426.521 0.713 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 588124888 NSDNEAWHVTZOFF-UHFFFAOYSA-N 445.471 0.700 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 603482812 HWPRXIOYNMMYOS-OALUTQOASA-N 430.530 0.238 30 20 ICED CSc1nc(O)c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 603642622 ARDAXOWPUDNFJB-UHFFFAOYSA-N 433.515 0.991 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 604269802 CNGQKCFUGDORFW-UHFFFAOYSA-N 432.452 0.058 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610290362 ZCGLWZWFKNPBMW-JHNDHUHGSA-N 425.445 0.235 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C#N)cs2)c1=O 610500680 FKNZMYVHWQNCQT-UHFFFAOYSA-N 441.538 0.057 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 617023121 IZXJLUXNYFYZKV-NHCUHLMSSA-N 440.548 0.365 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 728573374 OYWXSWSARMCDGR-UHFFFAOYSA-N 436.516 0.923 30 20 ICED NS(=O)(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732664911 QIVVVOHOJWYTAI-ZDUSSCGKSA-N 428.536 0.175 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753124682 DXLUQDHGYPCRPD-LJQANCHMSA-N 447.561 0.467 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758751644 KIIZCPWTSVRSBE-BRWVUGGUSA-N 434.541 0.693 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(N)=O 760385409 PWJJVQZRTNRVRH-UHFFFAOYSA-N 433.921 0.171 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C 768198981 LEZKRZCUUAZNSS-ZDUSSCGKSA-N 439.451 0.865 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 780279626 TUJCHDQFNCNPMP-XLNRJJMWSA-N 449.533 0.517 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 783480514 KDTYZNZCHSCSIJ-KRWDZBQOSA-N 433.530 0.968 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NS(=O)(=O)CC3(C#N)CC3)CC2)cc1 793203234 BGGZQEKDNRFMMX-UHFFFAOYSA-N 440.547 0.051 30 20 ICED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 795824766 MDMGTHFZMIPXJF-SFHVURJKSA-N 440.481 0.790 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@H]1CCCO1 799259971 KZOORRNBKYDRDA-HUUCEWRRSA-N 437.294 0.916 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101916 VSULADTWLOBAKA-UONOGXRCSA-N 441.472 0.762 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 838243328 QYQLLZKAFOREAM-YOEHRIQHSA-N 429.546 0.488 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)c1 880449073 ZFMKJKNJPBGIFX-HSZRJFAPSA-N 430.468 0.995 30 20 ICED N#Cc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 912685577 PIGKIBBHPSCKLO-UHFFFAOYSA-N 429.454 0.915 30 20 ICED CCS(=O)(=O)NCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 918563157 WNRYQNNKATWIJU-AWEZNQCLSA-N 430.552 0.195 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCOC1 1117733581 MNPSPONEWYXZSO-ZDUSSCGKSA-N 449.483 0.213 30 20 ICED C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1288901206 RZHIAOSUZGXFDR-YEWWUXTCSA-N 437.547 0.878 30 20 ICED COCCN(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1295951416 VDGXQRXYSOHNSF-UHFFFAOYSA-N 440.522 0.836 30 20 ICED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)C1 1313890059 XXVPMFOPROWDBC-IKGGRYGDSA-N 439.586 0.549 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 1324965615 JQXQALRZBOCYAX-IRXDYDNUSA-N 428.445 0.802 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccn(C)n1 1510218369 MYEMGSUHNWZTTE-RHSMWYFYSA-N 447.569 0.041 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1547919900 RQQDFJMRXCIRSS-UGKGYDQZSA-N 447.584 0.687 30 20 ICED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1615090132 MMDAZWDRWRWQMR-AWEZNQCLSA-N 433.538 0.875 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)[C@H](C#N)C1 1629506640 OUPZIDNMJVLXSO-MRXNPFEDSA-N 437.518 0.967 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1651414656 XBPIEKYEANAQPA-HNNXBMFYSA-N 429.502 0.575 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC(=O)N1C 1693830502 QJJIDOQOLMVVBP-QVKFZJNVSA-N 426.477 0.547 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1706641581 KBVNAOZOMNLVIG-NRFANRHFSA-N 428.493 0.841 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOCC1 1761481219 ZCKWVZSOAYZQCH-MRXNPFEDSA-N 439.586 0.741 30 20 ICED CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767811384 WRIGJFLZOLIZQD-UHFFFAOYSA-N 431.504 0.993 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063540 VKHDYORWEMTAJB-RDPSFJRHSA-N 440.544 0.480 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn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c1nc[nH]n1)C2 1779337126 ICMAALJGEQFWCR-BXTJHSDWSA-N 437.566 0.984 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779422111 TYURZINPQJYDRE-QUFLQGLISA-N 436.509 0.308 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1Cl 1780191626 GNSSSLPQQAVIGP-MGPUTAFESA-N 433.896 0.248 30 20 ICED Cn1c(=O)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc2ccccc21 1780335482 XJCNAFOQVACXNJ-QHCPKHFHSA-N 446.467 0.891 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(C#N)c1 1781171453 YYJKNRQYJKDZJH-UWJYYQICSA-N 428.445 0.048 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)c(O)n1 1781421593 KWGAFOWIWABIRA-OAQYLSRUSA-N 426.477 0.641 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493235 SPYRHDKDSFJHRQ-GCKMJXCFSA-N 434.493 0.666 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1783896125 XZQCELULLLGVCU-SCLBCKFNSA-N 427.548 0.388 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1784012955 MTGYQRMDROJWAA-VXKWHMMOSA-N 448.520 0.492 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784196932 WEGVQHFFEZWWSB-QAETUUGQSA-N 438.525 0.546 30 20 ICED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857179 DKJCECDXUCVWTL-JYJNAYRXSA-N 430.509 0.360 30 20 ICED 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0.747 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448008 JQUGSTUJPWNRBI-IGPUNGKJSA-N 446.504 0.640 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840096658 DMDZJFVMMQDJHN-WZONZLPQSA-N 428.485 0.672 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157024 BYTFHJDMCDGMKZ-KSMMKXTCSA-N 431.555 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc[nH]c4C2)CCO3)c1 1840363646 DEPZIWNGGZJWMI-OPAMFIHVSA-N 438.488 0.485 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1840716611 OQWPOAPENZKKTN-SBUREZEXSA-N 426.517 0.945 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)Cc2ccccc2C1=O 1847612789 UYDZVXDNHVODFC-VDGAXYAQSA-N 437.496 0.842 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CCN1S(=O)(=O)c1cccnc1C#N 428252993 NPZPRCRVEBHBHG-ZDUSSCGKSA-N 432.487 0.304 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CCC2)c1=O 431026169 QTHVALHMPXHFMK-MRXNPFEDSA-N 427.530 0.649 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435245776 DJFPMAUMOGWAAK-AWEZNQCLSA-N 430.896 1.515 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 440759096 BNJIMWSHOHDURW-FPAYPSAMSA-N 447.513 0.984 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCOC1 441939474 YBIZYMJHPPMQNF-INIZCTEOSA-N 425.510 0.760 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 445612696 JMYUPNWBVYUVNG-UHFFFAOYSA-N 426.477 0.997 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccon1 479357194 GWRCAGNXISMHTE-UHFFFAOYSA-N 439.497 0.769 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)o1 480940766 VHWFEWMERJSJLQ-UHFFFAOYSA-N 426.454 0.209 30 20 ICED CN(CCCN(C)S(=O)(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(C#N)nc1 486605826 OGCHIGFVMVNQTA-UHFFFAOYSA-N 434.503 0.551 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)cnc2O)CC1 491258278 JBJCEUIGTGEXEJ-UHFFFAOYSA-N 426.477 0.271 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2C(=O)NC2CC2)CC1 505598530 XCJRKPNKTNFKOT-SFHVURJKSA-N 445.545 0.134 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505682814 HDFUMLSEAYZDAL-UHFFFAOYSA-N 431.562 0.796 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 507410165 XGZHTLDYYAPUQD-MRXNPFEDSA-N 442.451 0.917 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 508824383 HNUOXSILMBJPRV-GFCCVEGCSA-N 426.572 0.815 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 509658079 OGECZVSSIJVZPA-CQSZACIVSA-N 434.474 0.952 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)nc1 509942137 RWFXTLCZTVXHSD-HDYDNRTBSA-N 441.532 0.940 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1 510255383 ILKMKZCQWRLYLM-UHFFFAOYSA-N 436.515 0.969 30 20 ICED C=CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 521810615 VZJXVIOXPDKYRN-SFHVURJKSA-N 440.552 0.444 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)C1=O 523026589 CPPHZROBIZIDCY-UHFFFAOYSA-N 437.250 0.789 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2occc2C)c1=O 525265679 LTNPIQMKAWBVNU-UHFFFAOYSA-N 433.555 0.926 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1C 534928906 VJHQEVMWOXLRHO-SFHVURJKSA-N 446.471 0.955 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 537252298 LVAVPAXCUYBVFL-HZPDHXFCSA-N 425.580 0.471 30 20 ICED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549252223 AVMRNBHXLKXJFQ-WMLDXEAASA-N 430.513 0.418 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 550754115 UJXNMJAHVQFBKG-FQEVSTJZSA-N 437.500 0.960 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 553607572 DDCMUCHRJPPHNV-AWEZNQCLSA-N 432.579 0.713 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CC(N)=O 555124458 ZTYZGNDYFCUBGV-UHFFFAOYSA-N 444.460 0.505 30 20 ICED CN(CC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 557611888 SXXBTAQYPSOHDR-LIRRHRJNSA-N 433.490 0.158 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 559194492 LXZPFZSIOAKXTA-DOTOQJQBSA-N 445.545 0.941 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C)N1CCOCC1 561666936 MMFSQAMRSXEQQM-UONOGXRCSA-N 430.896 1.561 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1 564409809 CACRUMQGAOUYAN-UHFFFAOYSA-N 427.486 0.653 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nn1 568690695 FXXFCKPWJRGZPP-CQSZACIVSA-N 432.462 0.078 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 570871960 QIYIWFUNMUYURU-UHFFFAOYSA-N 435.488 0.741 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2=O)cc1 581510590 ZZVYFQYAXFFMRG-HXUWFJFHSA-N 435.484 0.976 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 583530062 LJBFGWGSFFIUMA-HNNXBMFYSA-N 435.475 0.106 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1 585761892 IXCMKWODLFTUJB-UHFFFAOYSA-N 435.400 0.879 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 604527808 KJCMDFZGBLRSQS-GOSISDBHSA-N 445.476 0.821 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 609336698 MJNMXBDBEFCXOU-UHFFFAOYSA-N 449.562 0.695 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C(=O)N1c1cnn(C)c1 610532041 NABUDYGNTIDEPF-GUYCJALGSA-N 447.459 0.180 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1 613094314 WTXQSPRAMKHSPB-UHFFFAOYSA-N 436.476 0.828 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 728573032 JAQHBLYVJLZTPV-KRWDZBQOSA-N 449.577 0.067 30 20 ICED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732429733 XYRKZBSWQFIGDS-VHEBQXMUSA-N 443.460 0.816 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(CC(F)(F)F)C3=O)CC2)o1 732810677 OANDBIPSTXBMFT-AWEZNQCLSA-N 428.415 0.598 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[S@](C)=O)c1 737293526 MYZJDKYAQOSVCU-KEXLPUOWSA-N 442.563 0.713 30 20 ICED Cc1nccn1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 748113651 QXEMASCXWDTODN-QJOMJCCJSA-N 432.506 0.759 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758054474 YXUSNGSDXVHLMG-UHFFFAOYSA-N 437.521 0.994 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 760470989 MUDLQDJELZSAMI-ZDUSSCGKSA-N 426.926 0.780 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 761036457 DVQABJKARPOEMD-GOSISDBHSA-N 444.561 0.901 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)c2ccccc21 769885501 JCLCHMJATVEFGM-UHFFFAOYSA-N 437.525 0.707 30 20 ICED CCOC(=O)CON=C(C(=O)NCC1(NS(C)(=O)=O)CCCCC1)c1cc[nH]n1 770820732 DPICEILJHOVIDM-UHFFFAOYSA-N 429.499 0.062 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)c1cc[nH]n1 772174528 CMYSIPODYOCITR-UHFFFAOYSA-N 446.468 0.326 30 20 ICED CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 773123200 OYHOQTNFHIZRGK-UHFFFAOYSA-N 440.503 0.923 30 20 ICED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 777239431 YBXVDYRFPAAZND-UHFFFAOYSA-N 449.515 0.784 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2nnn(C)n2)C1=O 783031313 VMQKFTTWTYWJNP-RLBWVDARSA-N 430.538 0.673 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 783452495 DOHMLOCNVXMGAR-UHFFFAOYSA-N 434.456 0.035 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 786569848 GHPLJOHAHXGXLB-AWEZNQCLSA-N 435.408 0.863 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nn1 790861224 DCCHQAUFGDSNTM-UHFFFAOYSA-N 430.368 0.375 30 20 ICED C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813979928 JTHHHCQIKNCJGK-BUXKBTBVSA-N 433.490 0.895 30 20 ICED O=C(N[C@@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 816757680 YYDBEUHCIGIIFS-OAHLLOKOSA-N 439.490 0.355 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 839329038 MDBXBVRCISKHAI-UHFFFAOYSA-N 436.493 0.982 30 20 ICED COc1ccc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1S(N)(=O)=O 849080751 PTOGSOGEFSVIEN-CQSZACIVSA-N 439.538 0.723 30 20 ICED COCCNC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc2c1CCCC2 913611352 ZKMDLAVKMICFFR-UHFFFAOYSA-N 445.501 0.374 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O 916937965 IKHKXCFGCOMFQX-LLVKDONJSA-N 446.826 0.964 30 20 ICED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 917896829 JGCZLLQGHIHYDX-AWEZNQCLSA-N 429.458 0.781 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)o2)cc1 918608864 OWACKIDDYJVIKF-XMHGGMMESA-N 426.476 0.992 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1117104871 FKSHBPWODRAQTP-LLVKDONJSA-N 430.533 0.270 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1254641476 JTIAIIJWDPTNAX-FQEVSTJZSA-N 427.553 0.581 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1303641232 PVPBNKVSOLRFPH-HZPDHXFCSA-N 441.602 0.937 30 20 ICED Cc1c(Br)cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(=O)n1C 1341913441 BIKLZOYMQXVYFR-NSHDSACASA-N 430.280 0.036 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1503634807 ZMDSKZDDQJDBBJ-UHFFFAOYSA-N 432.506 0.156 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541675365 IWCSJHYPQRSBSE-INIZCTEOSA-N 449.581 0.560 30 20 ICED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1584628067 VPEYVMZQLAUZLW-QGZVFWFLSA-N 425.489 0.960 30 20 ICED C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1596850864 PVIADQFUPDVMKX-CYBMUJFWSA-N 439.567 0.757 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1620346888 JNSUXBYQPGVAQK-WMLDXEAASA-N 427.502 0.901 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@]2(O)CCOC2)cc1 1620351506 AGNYKAVHTDBDED-JOCHJYFZSA-N 440.504 0.972 30 20 ICED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)c1 1641286486 WSKCPEDTYZBODR-UHFFFAOYSA-N 426.907 0.968 30 20 ICED CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1662818636 VWEUXPCASXISBL-ZDUSSCGKSA-N 437.444 0.936 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCC2)c1 1696622329 VDMUNHVBXXVDCB-MRXNPFEDSA-N 446.533 0.839 30 20 ICED CCc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1708986616 OFEMSWVGLRSLHU-OCCSQVGLSA-N 439.567 0.879 30 20 ICED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1711472115 VUNDQHQSLJARAN-OAQYLSRUSA-N 425.493 0.772 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1723772284 KIEDSGHTMLZXFI-NYHFZMIOSA-N 436.520 0.997 30 20 ICED Cc1cnn(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1724978146 XOYQJTCEIRRJIH-KRWDZBQOSA-N 448.553 0.556 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCC1 1750967234 YJUIQNOBLNGUEL-HNNXBMFYSA-N 439.524 0.708 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1769025659 VOZLVKHKEHENLH-APWZRJJASA-N 448.553 0.523 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1769323352 XJMQFLJMQSLCER-INIZCTEOSA-N 445.549 0.718 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771537610 REWGIOIAVSGUKA-QFBILLFUSA-N 435.481 0.286 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1cncn1 1779429509 VKONUEXTQAODPJ-LIRVZLPASA-N 448.524 0.882 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Cn2cncn2)C1 1779499592 DTRHHZJQTMGPMV-NJNPRVFISA-N 447.536 0.938 30 20 ICED N[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1cccc(Cl)c1 1782010443 LEIQJZUMGUEOJM-OZOXKJRCSA-N 433.892 0.942 30 20 ICED COc1cncc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782011174 ONVDJHIOCMOWAB-XMSQKQJNSA-N 429.473 0.625 30 20 ICED Cn1nc2c(c1C(=O)N1CC[C@]3(C1)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC2 1782436560 LDAJHMLQUWRRIC-QFIPXVFZSA-N 428.537 0.634 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)cc2C1 1782565439 NFUQXWDYJUHISS-JOCHJYFZSA-N 426.521 0.856 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCC1 1782786907 MLTNSVINXHVBFU-HXUWFJFHSA-N 429.433 0.280 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1784536817 CUXVGSBPLZRXCT-BCYZHJNNSA-N 426.627 0.556 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804590 FNRFSSYGARBYPD-QZWWFDLISA-N 434.493 0.082 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cn[nH]c3)CCO2)C1 1785574580 NMVZOZYYWGFVLV-IIBYNOLFSA-N 431.493 0.770 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc2n(n1)CCC2 1788414213 HRZFLJPWIQZHCF-XGTNLFOVSA-N 445.520 0.952 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21)n1cnnn1 1791685924 VBDWAIUVRMWHOP-KNTRFNDTSA-N 437.504 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1NC(C)=O)C2 1792491287 HOOBBRLPYFBHDH-JABISNGYSA-N 440.500 0.707 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792884269 FSPRQSXEPBWUME-YIDVYQOGSA-N 445.582 0.416 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN(C)C(C)=O)c(O)n1 1793745284 VUDVCZTZAZOVQN-UPHUGPLXSA-N 444.532 0.977 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cocn1 1794939459 VJXDYCHBPDOKOS-IVSAIRAKSA-N 432.477 0.794 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1796597341 PDJHXAAGQHVIQH-RNEYVEBBSA-N 449.508 0.262 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4cnnc4)cc2)C3)c1 1798694019 RELXBYQYHNYLCQ-XEMDLRDOSA-N 431.456 0.984 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)ccc1F 1799327577 KQRVRELHNUBGHF-CCWDJLKJSA-N 425.420 0.639 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800130959 TWOUCVKTIXHKEF-PDOICOKGSA-N 446.552 0.723 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CC)COC1 1800387477 RRULOCZTRHSXHH-XMTFNYHQSA-N 449.548 0.919 30 20 ICED 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)cn1)C2 1802124925 KQZXBOSLEZQHGN-DFGXFYAUSA-N 445.520 0.540 30 20 ICED 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)C1)C2 1802125263 RNPAWESZBMGOFX-YETLZGHKSA-N 435.521 0.264 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)/C=C(\C)NC(C)=O)[C@H]1c1cccnc1 1802489481 JUVXWEKVXGBHFK-BULGPZRESA-N 439.516 0.986 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1802685838 PSGPLNBHGARZBN-CJNGLKHVSA-N 435.448 0.077 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1808439968 DMUFSLMHXYLKKP-UWVAXJGDSA-N 428.489 0.875 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817317939 JBYARTRZUADYCN-GOEBONIOSA-N 449.512 0.748 30 20 ICED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)n1cnnn1 1822857404 ZGBBTMCVYWRWPL-DZGCQCFKSA-N 428.501 0.931 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1829783103 DTOCOKQYDIJDFY-OAQYLSRUSA-N 434.541 0.768 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1 1831019998 LRLJTAYIKPFPKH-OAQYLSRUSA-N 428.445 0.080 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831216563 RYCDVKBRUQRQJQ-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1831388359 RKVFYCAKMLZPFH-MONBJTKQSA-N 446.500 0.223 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831398748 KGBLQBIZFGCMBG-FDDCHVKYSA-N 425.485 0.975 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831435580 VLEBTVKQMZZBMX-WAIKUNEKSA-N 443.500 0.842 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1831614934 ADFAIMAJNONQNQ-QZMQVMSPSA-N 442.516 0.895 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)on1 1832568046 AAVONTYFGPERTL-QHCPKHFHSA-N 445.516 0.681 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cc1O 1833401764 XKRZFYROLCXSEU-JOCHJYFZSA-N 439.472 0.310 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1833476991 GHCPSMAOLWIJET-AOMKIAJQSA-N 439.553 0.765 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C)n1)CCO2 1834050928 QSSOLIPINHTBSC-QFIPXVFZSA-N 431.489 0.969 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605361 RFHIUIGCAVFCDJ-XTSMJKTBSA-N 449.460 0.239 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1834913280 FAIQLRVAEANSOX-UHFFFAOYSA-N 448.549 0.327 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835271267 CPVZWMFGVYMTSO-QFIPXVFZSA-N 441.488 0.666 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1835365687 RBWJZKMDMNPSHQ-LWQICCLCSA-N 431.445 0.577 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1835675574 WQKMULSWHVWPHC-QGZVFWFLSA-N 438.422 0.625 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C)n1C 1835678015 USNABCVYEFJIBV-HSZRJFAPSA-N 445.564 0.994 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837492838 WSYUCOOFBVVCOU-XMMPIXPASA-N 441.528 0.779 30 20 ICED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837526241 TYXUMZKKVXFBLB-FAKCTINISA-N 439.509 0.398 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838043490 OOKJSHMOTRJMRJ-XMSQKQJNSA-N 434.537 0.626 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)ccc1F 1839185762 KNFSGCBWJJWKAM-QRFVXNFXSA-N 431.464 0.467 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3cccnc3)cc1)CCO2 1839248165 NAGHVEJODPUEPN-XMMPIXPASA-N 449.463 0.907 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419732 SAHHJUIKEKUOPY-NYHFZMIOSA-N 446.479 0.682 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1839420701 YJQBPIQCZOEZEN-FQEVSTJZSA-N 428.424 0.059 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1839455926 DACVVPREDQZPIU-JOCHJYFZSA-N 448.447 0.771 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1Cl 1839864523 ZHDCBTSOUFIZOU-HXUWFJFHSA-N 434.880 0.547 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1840044879 DXWDDIMCHIJTSU-QFIPXVFZSA-N 440.456 0.040 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1840165482 ZWJREMOAPIMBEO-FYYLOGMGSA-N 430.501 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325046 AZIIVUHPGVLJAX-DWBVNXOXSA-N 449.508 0.328 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1cccn1 1840441685 DSJNTWKDQWPASP-DYHJMRMTSA-N 449.508 0.430 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1840787636 ISEWJHFOWYXIFN-DEOSSOPVSA-N 439.512 0.872 30 20 ICED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841230937 FCYNXDTTZWSLSH-MLNJSSBLSA-N 426.539 0.765 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846131410 BAQKXUDXMQUFOU-NYHFZMIOSA-N 431.489 0.925 30 20 ICED C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 25389582 KECKMDGVNKEIET-HNNXBMFYSA-N 441.513 0.991 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)c1 29446041 SNPDPYARNXMHKV-RTBURBONSA-N 447.561 0.270 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 410412985 HFNHYHCDNZDTRM-WMLDXEAASA-N 425.559 0.523 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)c(F)c1 428278617 WBJQBRRQMABKMS-UHFFFAOYSA-N 436.469 0.637 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 430386238 KPFSGJXYNVRBAQ-IMJJTQAJSA-N 430.465 0.467 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 434005845 JKSRZNQWFHXEJM-INIZCTEOSA-N 440.547 0.519 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 434436328 FQPMWRSSFPDGEV-CJNGLKHVSA-N 428.536 0.154 30 20 ICED C=CCOC[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OC 435951369 WVWSDNYRPPDOTK-LBPRGKRZSA-N 428.492 0.756 30 20 ICED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 437423927 VGPHCAGFHPIFJT-LBPRGKRZSA-N 428.898 0.917 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)n2)c(F)c1 441742552 MGIWTOOYTWOYSP-OALUTQOASA-N 440.479 1.316 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cn1 460714661 CUZKTECRANYXLF-PMACEKPBSA-N 445.483 0.829 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 473269703 OJSPWFGPVAFGRN-KRWDZBQOSA-N 438.488 0.794 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 476210673 YNLAGOLNVPGSGL-FQEVSTJZSA-N 444.557 0.771 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 477497143 AUJRFNSVAISSJB-AWEZNQCLSA-N 426.481 0.433 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1[N+](=O)[O-] 478854991 LQAPMSOBYXAONA-CYBMUJFWSA-N 429.454 0.862 30 20 ICED C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 481798353 UDMXSDVAVSUAGY-GOSISDBHSA-N 440.518 0.956 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 482799451 ILQLOXGXIOJGEY-CYBMUJFWSA-N 428.536 0.107 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CCO2)c1 484181873 XIDAKFDWXCGZIH-IBGZPJMESA-N 448.435 0.987 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 484573325 OBASMVSCADETKD-UHFFFAOYSA-N 430.490 0.380 30 20 ICED CCO[C@@H]1COCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484637796 LMWVVEQYFDMBNF-ZWKOTPCHSA-N 436.534 0.175 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)cc1 487465223 BRKSLPNIRNHGHM-NRFANRHFSA-N 442.564 0.348 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2=O)cc1 488603080 RHPLBKUHGBLYIY-SFHVURJKSA-N 449.467 0.668 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 490158721 NKCLCUUPFQYXTJ-NRFANRHFSA-N 433.464 0.807 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 490242585 JOZFTQSZNQUTAS-UHFFFAOYSA-N 427.486 0.883 30 20 ICED N#CCCN(C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1cccc(Cl)c1 498999575 NAJZSPWVPZGTOR-QZTJIDSGSA-N 440.953 0.362 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O 505690870 XKXSKYIBDHQPQB-UHFFFAOYSA-N 435.509 0.303 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507370168 HVCQFJNZWQQGCS-UHFFFAOYSA-N 447.517 0.604 30 20 ICED COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 516358084 YNWHIDGFXJAEEF-UHFFFAOYSA-N 438.487 0.784 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 525847513 ATWPBBWKXZTRFA-UHFFFAOYSA-N 429.456 0.869 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CC(N)=O 534872722 UPOQBONLSNCTSU-UHFFFAOYSA-N 444.900 0.822 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 540015581 NVFDUPIIHPWTCX-XLIONFOSSA-N 434.518 0.912 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 540454921 ORFRVGFLOUVREV-UHFFFAOYSA-N 447.521 0.534 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 550935130 PIQFRHFXHZBXBW-UHFFFAOYSA-N 443.485 0.824 30 20 ICED CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 559644237 DXVBQVUCRXLPRN-UHFFFAOYSA-N 429.524 0.042 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 569524418 MSAPKARUGVCKJX-ICSRJNTNSA-N 439.516 0.351 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)N(c4ccccc4)C3=O)CC2)c1C#N 570191595 PMYWCUFJGJBZOJ-BEFAXECRSA-N 449.515 0.559 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 571662144 VWDXPDUCMVSCIE-UHFFFAOYSA-N 441.532 0.488 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 580489693 WIYCMBNTRHCERV-UHFFFAOYSA-N 443.423 0.832 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2)c1=O 582433644 LKJOEAQVQHIXCR-UHFFFAOYSA-N 449.536 0.914 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 588126179 CTMBUFZLIXCKLK-UHFFFAOYSA-N 437.460 0.559 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)CC1 588126931 WBVBFUBRHWPRFR-UHFFFAOYSA-N 449.458 0.677 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(OCCCO)CC3)C2=O)cc1 588866083 KSFRAUJSLJPJOO-LJQANCHMSA-N 428.489 0.560 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)CC1 589211117 QVLBDKUIBGKQRW-UHFFFAOYSA-N 446.471 0.193 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 590997606 BVTMZVCCYMZHIK-UHFFFAOYSA-N 438.553 0.505 30 20 ICED N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 615646408 RNETULCJAUBTSM-KRWDZBQOSA-N 425.442 0.365 30 20 ICED Cc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 616415224 YXXHLMZYMKFNAU-UHFFFAOYSA-N 442.563 0.282 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccnn2C)c1=O 683622531 GOGUTTPQEBEKHN-UHFFFAOYSA-N 439.472 0.257 30 20 ICED NS(=O)(=O)Cc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 726883648 CWMHZQVDUZRXFE-UHFFFAOYSA-N 436.515 0.220 30 20 ICED COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(O)cc1 729253440 PQXYCIUHSLUWNT-CQSZACIVSA-N 431.470 0.579 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)c(F)c2)c1=O 731494636 AFCYFTGQINDZAL-CQSZACIVSA-N 433.505 0.658 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cnccn2)cc1 737237133 JXJRVFYEJWVSFV-KOEQRZSOSA-N 445.505 0.456 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 747921200 OPIBNSIRIVSAFK-MRXNPFEDSA-N 449.577 0.548 30 20 ICED Cc1c(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 748435848 SYTBMKINHDQLGW-INIZCTEOSA-N 433.424 0.775 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 755629032 XBTIFOYRGWQXFO-UHFFFAOYSA-N 443.573 0.906 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 756757572 CLYVKGKIRFASAZ-QWHCGFSZSA-N 426.499 0.808 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758773409 RKAKUROZKYFGHP-VYDXJSESSA-N 434.541 0.740 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C4CCC4)s3)c(=O)n2C)CC1 760375121 FHIXIQXXNSOUTE-UHFFFAOYSA-N 443.598 0.838 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 761026429 ZFMNPYZXKSOYHE-UHFFFAOYSA-N 448.467 0.329 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 761028356 FKMAXCIHPOSKTL-LBPRGKRZSA-N 429.886 0.660 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cnc21 761329402 IWAKABZBZBPYDC-MRXNPFEDSA-N 427.442 0.668 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(=O)N(C)C 766603699 HCXMWKGAGPMWRM-UHFFFAOYSA-N 444.944 0.765 30 20 ICED C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677926 HAYSGXYDJAECDE-KGLIPLIRSA-N 445.501 0.996 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 768020526 OJYGVMQWGCQZAB-CYBMUJFWSA-N 437.478 0.244 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 773942210 BCVPNNXCJQLHGT-HUUCEWRRSA-N 435.502 0.679 30 20 ICED C#CCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 781961106 NMCUYGREVNUGLF-WMZOPIPTSA-N 425.938 0.631 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 783480091 IHEOVNCAZRDPLP-INIZCTEOSA-N 430.486 0.527 30 20 ICED C=CCN(CCOC)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 790451977 PXHBEOBVGLCVHW-UHFFFAOYSA-N 449.551 0.635 30 20 ICED CC[C@H](C(=O)OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 791632408 MXBQKJCNJKCYNG-OAHLLOKOSA-N 437.474 0.134 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)cc1 799846019 FGOGWGJHWUUBNF-HACONHBVSA-N 440.547 0.465 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1CCOc1ccc(F)cc1 800393110 VMGNDDPQAMJLIX-MRXNPFEDSA-N 449.464 0.384 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCOC)c1=O 802722225 KKHBRTBNQCWOLY-UHFFFAOYSA-N 432.546 0.907 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 804402344 STNDGIBEMRQTCD-QGZVFWFLSA-N 428.493 0.775 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1C#N 809502941 SFVXBKCSXSXSJJ-UHFFFAOYSA-N 434.460 0.209 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1C#N 809503036 WXUURCZFBFOKEM-YOFSQIOKSA-N 425.533 0.952 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837538086 OJVSDXRQCRBDSF-UHFFFAOYSA-N 449.536 0.867 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 887568790 GNXMSQIDVGIXPG-SNVBAGLBSA-N 438.487 0.855 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1286536983 UYGRDSBTRBNDAF-CHWSQXEVSA-N 449.375 0.318 30 20 ICED CCOC(=O)C1([S@@](C)=O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1298065304 NQANGEDKTPIEQL-MUUNZHRXSA-N 441.531 0.028 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1360715118 UMCLFNNNRUYVAO-WMLDXEAASA-N 448.549 0.893 30 20 ICED CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617602132 YPEBACVRXAZZEV-INIZCTEOSA-N 437.508 0.301 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCOCC1 1626100994 LTLRETMOIPPMCV-MRXNPFEDSA-N 436.534 0.223 30 20 ICED C[C@@H](CC(=O)NCC(=O)NCCN1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1640695375 XRXRJKYDPYYLEB-HNNXBMFYSA-N 435.550 0.222 30 20 ICED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(CC(N)=O)C(=O)C2)cc1 1653851951 NGFZPWGXFRFMST-UHFFFAOYSA-N 438.488 0.542 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1692766020 SOXGWTYUEAIVIO-LSDHHAIUSA-N 427.575 0.737 30 20 ICED CC(C)CN1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1723476602 YEHIULJWPYLIEC-ROUUACIJSA-N 431.541 0.486 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462275 FANZBCDAGUUCNS-OAQYLSRUSA-N 425.493 0.455 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670467 HQGODZXOCWOYFX-VQHJOYQZSA-N 431.493 0.802 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778724100 CHGLVGYWFDVOBY-WZONZLPQSA-N 427.501 0.947 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779063568 XAAXBUIWJWFTHO-QFIPXVFZSA-N 438.488 0.266 30 20 ICED N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395093 JNYSZZCRPDOOOT-OXQOHEQNSA-N 436.578 0.826 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780040433 JGYZDEDDEKSFPG-WAWZGNHOSA-N 431.518 0.535 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)N1CCN(C)CC1 1781791654 JMDBBZBUZALMIY-DVECYGJZSA-N 439.560 0.832 30 20 ICED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784512500 YPOPQMVIYPXFHM-BHDSSALHSA-N 437.518 0.584 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377593 LBZRWWZOLFPBRO-XMSQKQJNSA-N 428.489 0.682 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c1 1786886008 JZFWGRJQFAJJSA-MUGJNUQGSA-N 441.532 0.063 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788513589 MJXBHODSFSXYRX-GPZQRLOISA-N 431.581 0.778 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1789956647 UOQSULRSZFYCES-UGUYLWEFSA-N 429.481 0.519 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790228218 GXIPTESDFUWNLD-ZVZYQTTQSA-N 437.493 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2 1792489121 HRQFACBTXISDAA-GRHUKYIQSA-N 431.518 0.477 30 20 ICED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1793167491 WWYVBKCBPSTZFA-GNXNZQSNSA-N 442.394 0.794 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794816699 XVYAXJIJCFTZPQ-YYIAUSFCSA-N 443.504 0.596 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)cc1 1795466548 CHSBHBVVFLNDKI-JHDGKUDLSA-N 426.517 0.413 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c(=O)[nH]c1C 1797739077 TXMDZJFSGULIFZ-DKSSLYBQSA-N 430.509 0.062 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694724 GEOJCQWKVUDCJC-OYNZLANYSA-N 426.473 0.845 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799926869 ZQKCKOUMDOYPRL-LHOFEJMMSA-N 428.533 0.884 30 20 ICED 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]1CNC(=O)C1)C2 1804377209 VCVKLHQFUYOJII-ZOFXXKQRSA-N 432.521 0.677 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1 1807417006 ICNAFPNYBJGTCA-JTSKRJEESA-N 432.440 0.461 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1811517586 VJXDXPUMLQDHQT-POZUXBRTSA-N 446.460 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC)NC(N)=O)[nH]n1 1814437375 WMQIREULQBLDCB-KJOMZIQVSA-N 431.497 0.707 30 20 ICED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)C(=O)O 1814976295 GGTCTQNQQVLNQI-DGCLKSJQSA-N 436.538 0.400 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](CC)NC(N)=O)sc2C1 1817011054 ZQXJQIUPCDXNLP-PKJDGDQJSA-N 434.522 0.360 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825248071 IJFVSANLWWFADR-SECBINFHSA-N 427.433 0.818 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825664471 XHHLMOLYKAZSRA-NSHDSACASA-N 448.482 0.255 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1829769362 RKLCWCAEVSPDHB-LXHZQTKUSA-N 445.520 0.392 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1830177285 FEIKTIGQOKOFCK-FQEVSTJZSA-N 435.502 0.464 30 20 ICED Cc1cc(C)c(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1831172593 CWHIPKUUFAIMHV-HSZRJFAPSA-N 444.484 0.535 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1831306286 ALWWEISJOVYSNL-YCRNBWNJSA-N 442.468 0.343 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832332023 CQGUGQUYVWKUKE-NOABYQSRSA-N 435.521 0.260 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1832577735 QCYJBDOCWKCAEP-QFIPXVFZSA-N 428.489 0.783 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833832609 ASHOZBZFLYOYOC-CQSZACIVSA-N 442.520 0.478 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834706891 ZGVBZTBZXJREAV-HSZRJFAPSA-N 444.484 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834883967 BORBMHONWUMSRS-UHFFFAOYSA-N 431.537 0.964 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1835098881 SAFWNFRQPZSPHA-XMMPIXPASA-N 425.529 0.980 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339804 TXXYBYFJVNDFQB-PGRDOPGGSA-N 429.473 0.489 30 20 ICED Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357400 WRRQGPYBSSCRLO-KRWDZBQOSA-N 440.298 0.556 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835626191 HAUOYLQZNXLHIK-NRFANRHFSA-N 425.445 0.821 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1835682695 REJUUYYZJMQSSV-DLRJPAPCSA-N 434.562 0.600 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837415090 SRDNZDSZQHTWFA-IFPAPICYSA-N 437.493 0.665 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488788 RJKZRMMEECCBDD-QFIPXVFZSA-N 430.505 0.189 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837525868 QQHYPKUPNCFTEQ-CFFCXZSUSA-N 439.534 0.993 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838950012 JDBLKRPTGVSTPG-HSZRJFAPSA-N 437.500 0.995 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1839222216 HGVCHGTUKNRKPO-AVRDEDQJSA-N 438.569 0.976 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363132 KMJZTNLEYSNHEL-SBUREZEXSA-N 440.500 0.513 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1ccnn1 1839363872 ZIAIUKKKJPVUBG-HTAPYJJXSA-N 438.488 0.675 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420095 MWYMQPJKLXWCQQ-NRFANRHFSA-N 427.436 0.815 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ncccn5)C4)C3)c2c1 1839487367 DMWLXLOOAHLSOW-QFIPXVFZSA-N 447.455 0.608 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cccnc5nc4O)CCO3)C2)CC1 1839512515 BHXAAFWFLBLQPC-JOCHJYFZSA-N 437.456 0.709 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)[S@](=O)c1ccccc1 1839672328 HPFWIMWMCZWMMG-DZSAJCOCSA-N 445.541 0.943 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1839784425 WNCVTORZVUQWFD-GHTZIAJQSA-N 447.513 0.205 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1841023914 GGSUPMIIJCWKIJ-KURKYZTESA-N 449.548 0.846 30 20 ICED CN(CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)S(=O)(=O)c1ccc(C#N)cc1 109362082 OIISPXCTZBQRCS-MRXNPFEDSA-N 432.477 0.778 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)NCCC)Oc3ccccc32)C1=O 440283952 PUTRGBZFKQJMID-WMZOPIPTSA-N 428.489 0.552 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461371894 BRNLFITZXCQNIQ-UHFFFAOYSA-N 440.550 0.888 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 463668896 KOLOHDYESJGVCN-UHFFFAOYSA-N 440.459 0.732 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)CC2)c1C#N 472110568 MZVIJTGXKSZXRI-UHFFFAOYSA-N 437.552 0.779 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(F)cccc3Cl)c(=O)n2C)CC1 480155390 MIJDQWYGIWYCQW-UHFFFAOYSA-N 434.924 0.906 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 481021609 VQQXSSOCSYECMB-CQSZACIVSA-N 447.521 0.891 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 505752839 KJMDMFRGKGQCSO-VLFNSIGCSA-N 438.484 0.566 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 508707860 WTCVZAZKYHBYMD-UHFFFAOYSA-N 429.506 0.525 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C(=O)OC 511301951 CDZQPYPAHRZUIO-HZPDHXFCSA-N 437.474 0.445 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 514988006 OXAYUEBDGHBUEO-UHFFFAOYSA-N 445.526 0.975 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 521497533 JQZISGTXVXOVMN-OALUTQOASA-N 437.500 0.783 30 20 ICED CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cc([N+](=O)[O-])cn1 523228256 QIAZSOIFEBMVAR-UHFFFAOYSA-N 432.462 0.931 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)cn1CCOC 537435307 WHKIYBVTDIBQBY-VDERGJSUSA-N 444.444 0.284 30 20 ICED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540560654 XXUQGGGHVBKJKB-GOSISDBHSA-N 432.594 0.599 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544865101 BKVFEIJDRCWDPL-UHFFFAOYSA-N 442.501 0.491 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)CC2)n1 546200381 IFFIJYPBBBVZDI-UHFFFAOYSA-N 447.455 0.292 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CCNS(=O)(=O)N(C)[C@H](C)CC#N)CC1 554914742 VSDUENDZSMJLNP-CVEARBPZSA-N 448.615 0.636 30 20 ICED CCC(CC)[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 559583443 WEMXMMCRCBMGCK-HXUWFJFHSA-N 442.564 0.855 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 565393637 ZMWJZZBTMFBKHH-UHFFFAOYSA-N 427.465 0.747 30 20 ICED Cc1c(I)cn(CC(=O)NCC(=O)N2CCCC2)c(=O)c1C#N 568568172 JENZDGCJNCUKJC-UHFFFAOYSA-N 428.230 0.372 30 20 ICED CC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCOC2)O1 587666722 WHNCYGCRQBWCAK-PGRDOPGGSA-N 427.505 0.835 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(CCOc3ccccc3Cl)CC2)CC1 588122828 FRKAFASPSXKIFM-UHFFFAOYSA-N 433.940 0.967 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC1 588127383 FOBHOSBBYUHWEH-UHFFFAOYSA-N 428.537 0.237 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1ccccc1 588762518 PMPSIURJZKHWNY-APWZRJJASA-N 432.484 0.912 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 609668363 MTYJJPKCZINHKM-SFHVURJKSA-N 435.550 0.015 30 20 ICED Cc1nc(=NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)n(-c2ccc(C#N)cc2)[nH]1 610231884 HUFXBLUNQHPXBA-UHFFFAOYSA-N 430.428 0.376 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1 728571001 SMDSNVTVANMXOC-UHFFFAOYSA-N 447.583 0.851 30 20 ICED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 732483402 JEVXOOOSAHSBCC-RYPAHKROSA-N 449.533 0.423 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1N1CCCS1(=O)=O 741095409 MCEZEYAXQDCANA-UHFFFAOYSA-N 442.501 0.968 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746363470 YQSYNFBXTYAAMB-UHFFFAOYSA-N 444.473 0.081 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1C 750619960 NVSNLKNUKICXGA-UHFFFAOYSA-N 425.854 0.714 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2Br)c(=O)n1CCOC 753787895 CSGYYTJJTOQTOX-UHFFFAOYSA-N 436.331 0.876 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755536635 LIDSOSGTEYBQEQ-UKRRQHHQSA-N 433.465 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758054272 KMHMERCOCYWJIH-UHFFFAOYSA-N 426.454 0.107 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 758076971 ZJLXRYMLTKLPHQ-UHFFFAOYSA-N 439.562 0.939 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OCC)c2)c1=O 758078882 DGTPVRKFECWQHQ-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 762935335 FXKIRLLIALBIMC-LBPRGKRZSA-N 430.442 0.506 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1Cc1ccon1 765144083 DWVDXMBHDZTZRU-UHFFFAOYSA-N 438.513 0.703 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1CC1CCOCC1 768775719 CROSZLGBCZBEOR-CYBMUJFWSA-N 434.478 0.382 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1sc(-c2cccnc2)nc1C 771892402 RKHSBDUZXMCZKM-UHFFFAOYSA-N 434.503 0.613 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 783347740 NLQOKXUQNXUHBE-UHFFFAOYSA-N 438.531 0.788 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccn(CC(=O)OCC)c2=O)c1 783453102 PNCKKYQNXSXSBD-UHFFFAOYSA-N 438.440 0.428 30 20 ICED COCCOC(=O)c1c(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)sc(C(N)=O)c1C 786439979 IJYKNMCYNFIVKV-KRWDZBQOSA-N 426.426 0.361 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 787775135 APYCAVXMRSVEML-HZPDHXFCSA-N 429.502 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2c(C)cnn2C)c1=O 795197975 RDMRDMSLPVHBDR-UHFFFAOYSA-N 446.488 0.742 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC(=O)N1C 800657150 UCKIAEPGKXLESS-IQQDNESTSA-N 435.506 0.127 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c(OC)c1 805444168 ROMAZDLPVDHAAF-JHBCHSCWSA-N 442.472 0.837 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 808218659 XXNGAFNXUUIHCV-FQEVSTJZSA-N 446.511 0.909 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 914819399 PYSFFDHBSNOWCO-GOEBONIOSA-N 447.517 0.728 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1116886683 PAIWWNABGUXLRR-UHFFFAOYSA-N 437.525 0.596 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(O)cc1 1288861972 GKDYZFDGKSULLS-RHSMWYFYSA-N 445.549 0.819 30 20 ICED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1291338524 VSWZFHKVPFJWIA-QGZVFWFLSA-N 445.549 0.861 30 20 ICED COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 1296805680 JDXKVROMDHBPNJ-IBGZPJMESA-N 429.454 0.802 30 20 ICED C=C[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1320433106 KXMFHSFNGHZFOU-MRXNPFEDSA-N 439.534 0.475 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1321333711 AUPXBMTXMDXGDF-YLJYHZDGSA-N 431.518 0.087 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1323470350 FUBIADQDAKZYBQ-ZRGWGRIASA-N 434.522 0.305 30 20 ICED CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1443965354 LBKZZXYZOMTAOD-HNNXBMFYSA-N 439.472 0.521 30 20 ICED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1503690280 PBJKOCJZHFJDJM-UHFFFAOYSA-N 441.521 0.465 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1541928250 YKCRVYXLGDYWGO-YVEFUNNKSA-N 427.506 0.389 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCN2C1=O 1711272957 WRKSLOTWADTYJF-QGZVFWFLSA-N 443.533 0.807 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1750060708 IXGRLRVXTBCSBV-CABCVRRESA-N 427.575 0.595 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1769841761 OBKCWEUZZQHZOO-FQEVSTJZSA-N 449.533 0.866 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCC3)C1 1779119152 DYRVZMZYWPVABE-TWEUYWRPSA-N 441.532 0.815 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779428573 OOGNDOQEXAZJGV-IADDMXAUSA-N 436.509 0.165 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779499322 ZRANGDZSNOTBBV-NJNPRVFISA-N 445.568 0.710 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1780433538 UXAHEZUZZYJSND-XCKVFWMBSA-N 435.481 0.401 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781296470 YBZPATGNZDXWCJ-QFIPXVFZSA-N 430.480 0.938 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)ccc1F 1781299908 IHGUCHGPWXZBPJ-HXUWFJFHSA-N 435.477 0.888 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493763 IJIOKIMKJWQUSK-WHSLLNHNSA-N 449.508 0.876 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1781966349 FIPXZAFZMQXHPT-NRFANRHFSA-N 425.420 0.398 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3cccc(F)c13)C2 1782015405 NWBUFTGKMSCNLD-IIBYNOLFSA-N 428.420 0.689 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)cc(C(F)(F)F)c1 1782033032 WAOPFFGSOHSVFC-YJBOKZPZSA-N 425.411 0.307 30 20 ICED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782395361 SGQWAXVBTFZDAI-XEAGXQSLSA-N 440.497 0.385 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783904800 CEKPVUKCSFPXFU-JTSKRJEESA-N 437.537 0.896 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1784504379 OZHAIKSHXNDLGT-CVYDXHPNSA-N 441.488 0.274 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c1 1785077193 SBNBVDPPCIRQFI-NYHFZMIOSA-N 439.472 0.309 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)[C@H]2C1 1785186613 QNQRVKTXNAOYJK-LAQRGFTBSA-N 430.530 0.990 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249523 ZUPSDSPMXSKXAY-CAMMJAKZSA-N 446.548 0.687 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1785427806 MMLVUKQHWCUSEG-GAJHUEQPSA-N 442.516 0.866 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1785480489 IQTSRZKKIMNVFB-OAQYLSRUSA-N 435.477 0.161 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1785572512 LYXNXRYJQXPNQF-YCRPNKLZSA-N 446.508 0.175 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860345 YHQWITWJZOPZBQ-QAETUUGQSA-N 426.583 0.362 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 1788572936 UISKHCYXJNBJFG-CAMMJAKZSA-N 434.537 0.696 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c1 1789259186 RIOVKNNELKUXPA-FNHZYXHNSA-N 437.456 0.557 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1793258336 HSQRFIZPNNTELL-KHUIQGCPSA-N 437.540 0.890 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1793348915 QDVIQHSYIRSUAJ-UPHUGPLXSA-N 432.521 0.707 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793352886 PGLMGDDYGBIYBB-YYIAUSFCSA-N 448.520 0.993 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793958624 JUNOWOINXHJTDB-RMRDIRSESA-N 431.493 0.202 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn(C)n2)C3)c(O)n1 1794489147 HLLKDSIUTJRETA-XOIINTDNSA-N 426.477 0.551 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783725 CRMSFEBUKUAYBN-BMFAXAFESA-N 436.505 0.836 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797985564 POQYTWOVJBVWLZ-YALNPMBYSA-N 432.521 0.701 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C(=O)OCC)c1 1798683480 ICJBBQQMJUQSRG-RMRDIRSESA-N 429.473 0.500 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)ccc1F 1799327223 IGWJJPPGIRNCAD-YVWYUNDQSA-N 435.477 0.647 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801403064 XPGKJXUVHJNLED-XBNYFLSISA-N 446.504 0.968 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cnnn2)c(O)n1 1801434240 CWDWNPUZTZYVLU-AFIMGQEJSA-N 441.492 0.357 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccnc1 1802687818 WAIRKNUPXNEJBN-HYVNUMGLSA-N 435.550 0.965 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1802920442 ZGUUEDDMICTIOD-WFASDCNBSA-N 449.389 0.997 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1807205445 LBRUKLVTIYRNJT-VXIBKDFQSA-N 432.521 0.723 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)cc1 1811892954 YPNNLAKNMJKPSM-NQIIRXRSSA-N 446.467 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNC(=S)NC)[nH]n1 1814439102 ZTLHHYAFZROIDV-ZPIQOJFGSA-N 447.565 0.744 30 20 ICED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828808038 GLUKMAUBZITBMT-QFIPXVFZSA-N 441.488 0.488 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1829267703 ZCLMDTNDTQVKOB-QFIPXVFZSA-N 426.473 0.208 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(Cl)nc4)CCO3)C2)c1 1829521565 UGEUAOZLAADTCR-IBGZPJMESA-N 430.852 0.714 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1829756201 XEHSAUGJACKKBI-GOSISDBHSA-N 431.478 0.163 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831425935 XDWBSKNCAJACER-KKSFZXQISA-N 435.477 0.057 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1832285194 AFCCIRYOTZZIEK-NRFANRHFSA-N 425.526 0.294 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3csc(N)n3)CC2)CC1 1833076113 WTLKROSALZJURE-ARJAWSKDSA-N 446.577 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834088733 KQTFLRSTANXPEA-UHFFFAOYSA-N 432.525 0.510 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834299955 PNSDKVCGDXXRQP-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837402489 BQYJAPOEVMQNBE-JTSKRJEESA-N 448.520 0.309 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(Cl)ncn4)CCO3)C2)c1 1838256737 ATYVIRBFRWOGFR-IBGZPJMESA-N 430.852 0.714 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1838357884 LGRXXFCWZGCKFK-QGZVFWFLSA-N 436.509 0.743 30 20 ICED NC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403437 IQKSYTOHAFQJKK-WQZUMXOESA-N 439.513 0.182 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCN(C)C)C3)C2)c(C#N)c1 1839132020 NMZYBWZUQMLJOB-QHCPKHFHSA-N 444.532 0.517 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1839176127 XMWIBFYREORXPK-GCJKJVERSA-N 448.520 0.718 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839275055 IMUJZRHVLDVENU-SGTLLEGYSA-N 425.463 0.689 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cc3ccncc3)CCO2)C1 1839656003 AQYPQPHHVWVHEB-DNVFCKCGSA-N 429.517 0.755 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839780843 XCDXASMLAXVVAH-PXNSSMCTSA-N 444.550 0.003 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13CCN(C(=O)OC(C)(C)C)C[C@@H]1C3)CCO2 1840002726 FCJOCNMHXKWKQG-RTFZILSDSA-N 447.532 0.723 30 20 ICED Cc1nc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2s1 1840042954 YCVNTTURDSDQHP-OAQYLSRUSA-N 443.481 0.763 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163884 QZZWRWLTNVZEFX-BFUOFWGJSA-N 439.490 0.997 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840386314 UBHQVRNUDMAVPY-XMSQKQJNSA-N 432.521 0.466 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840488742 YPTPFEPKMQMGAQ-CTUFNNTOSA-N 445.520 0.067 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(=O)c4ccc[nH]4)C3)C2)CCC1 1840813347 UCWIRKPUNBEHBW-JOCHJYFZSA-N 443.504 0.285 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843103834 ISWAFLBVULQSQB-IKGGRYGDSA-N 435.521 0.598 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844225087 KNIHIAQIMXCTOL-LRTDBIEQSA-N 431.493 0.535 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282707 XVLMYZRBJCAQKE-UHFFFAOYSA-N 437.562 0.314 30 20 ICED Cc1cc(C)n2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2n1 15759939 HPGJURSOJCPVGJ-UHFFFAOYSA-N 425.474 0.760 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 107673850 KAZGZAJYLDADAL-SFHVURJKSA-N 437.566 0.571 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 409482502 FTPQXVODSOBOOH-QGZVFWFLSA-N 426.539 0.975 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)n2)CC1 427335769 GOLRMZINJRFFBG-WNSKOXEYSA-N 447.499 0.960 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)C1=O 439645230 JJSXPABRZPTSST-AWEZNQCLSA-N 437.449 0.318 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)CC1 440445806 RZYQODSYZBZNSY-UHFFFAOYSA-N 437.518 0.972 30 20 ICED CCOc1cc(NC2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)ncn1 442587702 SMIWDUISHASVMT-UHFFFAOYSA-N 426.481 1.566 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 446137235 HSNMXYLVBDBYPE-SMDDNHRTSA-N 437.478 0.494 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 460609988 QJZLNYRYVMUMJM-UHFFFAOYSA-N 430.472 1.125 30 20 ICED CCN(C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)S(C)(=O)=O 460700858 UNRFDSIJUCGDIV-UHFFFAOYSA-N 445.505 0.350 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CCc4ccccc4C3=O)n2)cc1 467317280 WGWZSNHQUXKCPO-UHFFFAOYSA-N 443.467 0.951 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)CC2)cc1 481675521 VHRVJDPXYOFVHG-CQSZACIVSA-N 444.435 0.802 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 489008964 IAPZIFBERSVSLD-ZDUSSCGKSA-N 438.490 0.988 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)cc1 489199464 VBEQFMLCMAUBQA-UHFFFAOYSA-N 440.569 0.444 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C#N 490151004 OWQPXTOVTBEGSP-UHFFFAOYSA-N 439.501 0.973 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscn2)c1=O 497580853 OPAGGLOBDVSQOX-UHFFFAOYSA-N 436.584 0.481 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 502912352 RWBDPTQIJGSPLR-AWEZNQCLSA-N 430.446 0.326 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 506713043 GKHMRCVCBRHMQR-HNNXBMFYSA-N 436.534 0.671 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 521590967 ZFFCDLLJHZMPFA-ZDUSSCGKSA-N 442.881 0.050 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 531777003 HZMAGVPURACFDG-UHFFFAOYSA-N 442.505 0.087 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1 540260232 AZNJQNWHQSESGK-OAHLLOKOSA-N 429.525 0.866 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541081739 WWTNKKPGMKNKGG-UHFFFAOYSA-N 436.515 0.944 30 20 ICED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 549042431 PGZNWWGNKYXLHM-UHFFFAOYSA-N 427.509 0.633 30 20 ICED C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549298447 RUZMOOWQVRFNBX-UHFFFAOYSA-N 427.509 0.367 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 550778379 NFZWQDBMRMOJNT-NRFANRHFSA-N 426.565 0.367 30 20 ICED C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 560985285 DNNJAFUCZGRZMH-UHFFFAOYSA-N 436.516 0.846 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2=O)cc1 561867309 RAPDQLUYWQHUDS-HXUWFJFHSA-N 443.467 0.672 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 564482072 QQLCNNBYUYJFAS-INIZCTEOSA-N 431.468 0.100 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 572902780 RPITXXSSKZTPSZ-CVEARBPZSA-N 436.582 0.545 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 574840588 QBWYHZHNDFVNDR-HXUWFJFHSA-N 446.511 0.909 30 20 ICED COCCO[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581242488 NEHSTZJATZVSSQ-RBUKOAKNSA-N 428.489 0.429 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O 589160133 CEDAGLDOQMDVPX-UHFFFAOYSA-N 425.557 0.249 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2Cl)c1=O 604269100 QUFBQRVJMNBIQL-UHFFFAOYSA-N 448.907 0.572 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 606032442 WKFHFSBXZBFQIE-INIZCTEOSA-N 444.536 0.992 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 609620179 SVTCUDOOQYUSCB-CRAIPNDOSA-N 433.534 0.379 30 20 ICED COCCNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617036174 BYEWBGJKBAZSLJ-IBGZPJMESA-N 427.505 0.843 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 674292990 ZENXVKHFIULORV-CJNGLKHVSA-N 428.468 0.259 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(=O)(=O)CC 731696430 PZSDGZVDGLPQTC-AWEZNQCLSA-N 431.536 0.766 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2OC)c1=O 732663344 UDTQXYMVNCAWSP-UHFFFAOYSA-N 445.566 0.643 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 733150659 SGVQICAHNCVYKS-UHFFFAOYSA-N 448.589 0.646 30 20 ICED O=C(O)CNC(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 746349378 XBBMBRNUGQZOGY-UHFFFAOYSA-N 444.469 0.958 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccn1 755548719 QRNYQTAULRAJMR-WFASDCNBSA-N 430.465 0.597 30 20 ICED COc1ccc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 759834913 XAYCRFSLUCNEMW-NSHDSACASA-N 438.487 0.412 30 20 ICED CCCN(C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 770617317 WBPFBGADPLQPEY-UHFFFAOYSA-N 430.552 0.988 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc[nH]n1 770836725 ZTSWHKHURDVBML-GFCCVEGCSA-N 437.478 0.942 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1CC1CC1 771555513 BUKDREPGQSQNFR-UHFFFAOYSA-N 431.522 0.998 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 777361389 UXFGNTQCVLJUOJ-GFCCVEGCSA-N 430.446 0.050 30 20 ICED COC[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)OC 781540513 JWPKMDQUCRGRMA-FJGOLAJPSA-N 426.495 0.216 30 20 ICED CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)nc1 783932694 BXVCCBVWBQTIBN-UHFFFAOYSA-N 425.449 0.656 30 20 ICED CC1C[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)C1 784249968 CEFQXCNSWKLUQU-HZPDHXFCSA-N 444.488 0.860 30 20 ICED N#Cc1cccc(-c2cc(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)on2)c1 789127079 ISRFOAJIKDIAHG-ZDUSSCGKSA-N 432.414 0.383 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(O)nc1=O 796485265 JWXCERAGHPNRSD-ZDUSSCGKSA-N 434.497 0.815 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287657 DNJYGMSMBVMBDF-AWEZNQCLSA-N 442.501 0.068 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2=O)cc1 806684718 IOFFWMNZJLCCPC-MSOLQXFVSA-N 426.473 0.972 30 20 ICED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)N(CCC#N)c1ccccc1 844203691 WUUBAUGNWYJGIM-CQSZACIVSA-N 429.458 0.835 30 20 ICED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916899877 GWFCHRIYHRJTQJ-QGZVFWFLSA-N 426.454 0.768 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCNc3ncccc3C#N)CC2)c1 919814110 AIJXNBLXFGZYSS-UHFFFAOYSA-N 442.545 0.942 30 20 ICED Cc1ccc([C@H](CN2CCOCC2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1223665917 WNWXYTGDUKPHDN-SFHVURJKSA-N 426.477 0.502 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312626913 QCSBZQVKVGDOKN-GOSISDBHSA-N 448.549 0.229 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1333087423 WPQYUULZMYZGRP-GDBMZVCRSA-N 433.490 0.303 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1360785096 PKZOJPOLIWUUIV-PMACEKPBSA-N 430.534 0.944 30 20 ICED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1661268035 ONOUZJDOYISUAX-UHFFFAOYSA-N 428.536 0.430 30 20 ICED CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1673503151 MKTLUBWOIKQSHU-UHFFFAOYSA-N 445.549 0.930 30 20 ICED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1710977143 VHWHTQGKCSFJHA-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729841816 ZVHMUSZIWUVGPS-JKSUJKDBSA-N 439.524 0.812 30 20 ICED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C#N)c1 1747441061 UUEZONBXWDAKCB-UHFFFAOYSA-N 433.538 0.864 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1750017115 TZZHFNVUMDCPTE-GOSISDBHSA-N 425.493 0.683 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778159628 AHZCXXSDOCDYCQ-QFIPXVFZSA-N 433.505 0.357 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779325086 LNPCYSHZUDQHSW-HTAPYJJXSA-N 428.537 0.994 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1780167160 FJTSPTSTBXUJHJ-AOMKIAJQSA-N 426.473 0.537 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCc3ccccc3O2)C1 1782154555 ZWWUQGPWXBNKOD-YCRNBWNJSA-N 426.469 0.982 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2)C(F)(F)F 1783207483 LQYKLDLCDWSFAG-WMLDXEAASA-N 436.383 0.430 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@@H]32)C1 1783462480 DAYYOFUMCKOWSR-WDSOQIARSA-N 439.578 0.604 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783633131 BTUPCXACNGEADC-JPLJXNOCSA-N 440.500 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccc(OC)cc3)[C@H]2C1 1783766039 OWCBSMOPFSJABU-DAEMFEISSA-N 430.501 0.747 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c(C#N)c1 1783959722 YGSFDMVJRGAUJN-NRFANRHFSA-N 447.513 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785585287 WWAPPQOFOUOYPX-LNMJFAINSA-N 449.529 0.117 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCCNC(=O)C4)n3)[C@H]2C1 1785786589 UGCAWZLMGPNOML-LNLFQRSKSA-N 441.532 0.577 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788574980 QKSXHLZAHOCWHP-XSLAGTTESA-N 427.505 0.896 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706185 SEGKWXIUEGRVPK-WSRJKRBPSA-N 429.521 0.787 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)ccc1F 1789295888 VNMRRRYBEIRURT-QOKNQOGYSA-N 439.447 0.617 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1789954863 CNOPBWLACMPWIZ-MUGJNUQGSA-N 437.585 0.405 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C[C@@H]21 1790793086 WAWFQUDQCVHTTJ-QSUVVDIXSA-N 437.537 0.870 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793617340 VDRDQUZOMPXUEN-OPMZPASUSA-N 436.468 0.385 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794567282 DNKSIDKAYDABMW-QKPAOTATSA-N 448.524 0.488 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1795599474 LEKFLCCEYGDUSL-JNIAIEOXSA-N 445.564 0.259 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104884 CKZLUIXSJOYKCK-ZSBFGKGUSA-N 434.456 0.187 30 20 ICED COc1ccc2c(/C=C/C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c[nH]c2c1 1797144117 WUQZMSHZNCTORU-OPTPWSMWSA-N 437.452 0.867 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1797783907 WYMGSPGXGFBCFI-UPHUGPLXSA-N 426.517 0.731 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)n1 1797910395 ZOUNTURCWDIGCX-HGKCTWBKSA-N 438.488 0.390 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)c1 1801035577 NBKFBLXRQABHQA-SCAQPMJSSA-N 438.406 0.748 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802096671 JUAHONQVSRZRDX-YSTOQKLRSA-N 442.553 0.912 30 20 ICED 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)n1)C2 1802125442 YPJACYPQYKOBMP-KYHPRHEASA-N 445.520 0.540 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1803553817 CROMWNNKSPRFIC-NQIIRXRSSA-N 428.537 0.910 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810278281 CUEFGFMXVXLJLH-RROZELGVSA-N 443.552 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1 1814436631 YMCZDOZZJXJTFT-HLRDLLSLSA-N 428.493 0.883 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814808152 RYWJFLXAGWNQDU-KBPBESRZSA-N 426.502 0.833 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470807 RKLUTQDPSUFYFZ-GOEBONIOSA-N 427.461 0.755 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1817316321 BJNXYQLERYWGRP-UONOGXRCSA-N 444.496 0.282 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819366348 OWJREGDSOPURJB-SOLBZPMBSA-N 435.525 0.626 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819453176 LQPMALFHWNAZGC-UEXBOALHSA-N 431.457 0.618 30 20 ICED O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1822027027 YMWMDELYMKHPLC-MNOULKQQSA-N 446.508 0.401 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705274 DPLWEOUEPLASCC-PKOBYXMFSA-N 431.624 0.446 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1829765554 ZJCHTLGNFPVSSM-AXKGWLQCSA-N 427.501 0.544 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1830458342 QKDADYLSZXMDQI-HSZRJFAPSA-N 437.500 0.844 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470038 OMYWUZUMYFOLHT-NRFANRHFSA-N 433.892 0.284 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C)cc3)C2)C1 1831390933 AILQOSHGNVBMAM-AUSIDOKSSA-N 430.501 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OCC)c3O)C2)C1 1831399689 ZBSHJMDNNPDBNO-GAJHUEQPSA-N 446.500 0.899 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831438383 OWRJPNXYXVYNQN-WZONZLPQSA-N 443.500 0.985 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831485736 ZXEAMRHVWOLSTL-APWZRJJASA-N 425.507 0.110 30 20 ICED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832555821 YTGSUWFIZUFSID-JOCHJYFZSA-N 447.536 0.572 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)s1)CCO2 1832607460 KDVXHDFLNIOJAJ-GOSISDBHSA-N 426.878 0.488 30 20 ICED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1C(F)(F)F 1833326203 KCVUVVNQNBYPIS-GOSISDBHSA-N 441.410 0.813 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2)C(=O)C1 1834765384 FDLJGKKMXQZPQD-QFIPXVFZSA-N 439.472 0.783 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nc3)CC2)CC1 1836140783 VFZWBLQXJZAZAV-WAYWQWQTSA-N 441.532 0.831 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836208960 APMVJJORHZCTQI-OAQYLSRUSA-N 447.612 0.786 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315751 OKZAWBSXKVJTJC-OAQYLSRUSA-N 433.484 0.573 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118596 WYQNNFCSQZLPQN-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1837303298 PNOMEABGDVRCOV-JTSKRJEESA-N 432.521 0.819 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1837398950 LDIRXRORCJPJOR-PGRDOPGGSA-N 434.537 0.626 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837441153 UUPIYZOQMZFLIK-UQQIOGDDSA-N 433.484 0.762 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1837661377 IMJKJQQTAQDIOB-HXUWFJFHSA-N 430.567 0.870 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837670921 WMJKMEVWRKXOPQ-MDYRTPRTSA-N 429.583 0.702 30 20 ICED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838395135 SWZJMBSCKMWWHK-HNNRIZOBSA-N 436.465 0.582 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838423332 NZVHHGRMIMGFJY-JOCHJYFZSA-N 443.504 0.782 30 20 ICED COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732656 YPGBWASBSIKFEF-NRFANRHFSA-N 425.445 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1839175254 XUNJCVXGTQYQKB-NRFANRHFSA-N 434.493 0.606 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1839176136 XVOYBPZHICWDFJ-JXFKEZNVSA-N 426.535 0.848 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839176174 AFKGMBSTBGQPMX-IRZJEQJZSA-N 438.521 0.503 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)ccc1F 1839186125 ASFLWJMYPNIXAF-FQEVSTJZSA-N 428.424 0.128 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188257 ULLKOGWKUQXYEG-OYHNWAKOSA-N 446.479 0.221 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)cn1 1839363920 CXCWPXIPGFQZQL-HSZRJFAPSA-N 437.500 0.799 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423285 RBEKVZITAOIPOR-HXUWFJFHSA-N 444.879 0.724 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(Cl)c1 1839872309 GKUZHQLBXAGPNT-BTYIYWSLSA-N 446.891 0.418 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839888660 AFHAKGBGBLNUPP-SFHVURJKSA-N 431.436 0.497 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840164113 YCECLKAPWQHZPB-QVKFZJNVSA-N 434.562 0.158 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c1 1840420296 GTROJKTVALMFNT-JTSKRJEESA-N 438.488 0.789 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840425723 BSHPUGWESZLNFS-KSFYIVLOSA-N 439.472 0.819 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)C1 1840571564 BIJUCEYDGPEIIY-JOCHJYFZSA-N 438.488 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841601550 UOPDXQZLYZJWGZ-OPAMFIHVSA-N 435.521 0.912 30 20 ICED C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842621338 YEHJUEBGEYBMSN-ONSXPEOJSA-N 426.539 0.765 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)ccc1Br 1843084981 TVHXTIAHYGBBQL-UHFFFAOYSA-N 430.266 0.824 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283411 ANSSAIFKMAEASW-KRWDZBQOSA-N 435.521 0.732 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)CO2)C1 1846120630 FTOSVJVWELGGFM-OAHLLOKOSA-N 447.488 0.304 30 20 ICED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 18662319 XGDVIMTWLIOUPK-OAHLLOKOSA-N 435.502 0.749 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 28885030 RMCMFGMOSXOLBY-WOJBJXKFSA-N 444.557 0.628 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1=O 109423904 OWCMYFFAVLJBLW-UHFFFAOYSA-N 444.448 0.835 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCO1 410422750 ZBJNNQUFJRRNKT-KGLIPLIRSA-N 429.296 0.391 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2)CC1 427367224 ROYJDYBXFLKXKF-IBGZPJMESA-N 449.515 0.877 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 430398682 YNJWDCQRHMXKQH-JXFKEZNVSA-N 433.480 0.973 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 434337428 BRAKYVBGUGPRIE-HNNXBMFYSA-N 441.517 0.940 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472112863 MOEHUVVIWJFQJH-AWEZNQCLSA-N 439.494 0.314 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2CC(C)C)CC1 474353331 KHZIPPNCQDVQKZ-UHFFFAOYSA-N 439.585 0.936 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480937293 OXRSMDDZUAVRMG-GFCCVEGCSA-N 439.453 0.065 30 20 ICED C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 490247786 MNCDUERQXWCEDU-PWDSHUSXSA-N 436.468 0.326 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(n3cncn3)CC2)cc1 490287566 CPEXMRKDAXNBRC-UHFFFAOYSA-N 432.506 0.887 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c(=O)n(C)ccc12 505677309 KWUQYTCFEXDEJS-CQSZACIVSA-N 431.456 0.876 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 506910327 GTXKUVDLOXCDNE-CYBMUJFWSA-N 442.519 0.533 30 20 ICED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508695489 FKGJLIDQDAGQCR-BBWFWOEESA-N 440.570 0.792 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513565918 MATJFSOQHIWSHF-LBPRGKRZSA-N 434.453 0.362 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 518992466 ZXPXJVKLZOXNIA-VQTJNVASSA-N 428.533 0.788 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)c1C#N 530466904 YELFYJBZMFYHSA-UHFFFAOYSA-N 433.476 0.527 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 534936670 CYXDOCMUOYNUDQ-UHFFFAOYSA-N 437.504 0.580 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H](O)C(F)(F)F 537017043 FOTYJHNOTHLPFY-OAHLLOKOSA-N 434.440 0.246 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 538555891 CRGGVDDELLRIHE-UHFFFAOYSA-N 426.495 0.022 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 550945570 UBXWMUWSVYIBAA-GOSISDBHSA-N 435.550 0.011 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)n1 551661732 HORBXIFKWLQUPX-ZDUSSCGKSA-N 431.250 1.029 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)C1 554413170 DNKZZGNKSACSCH-AZUAARDMSA-N 442.564 0.855 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3cnccc3C#N)CC1)C2 562359096 HAXBGGGPSCGKHL-OALUTQOASA-N 425.537 0.868 30 20 ICED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572877029 IMPCJRUNRHUYIT-IEBWSBKVSA-N 425.489 0.545 30 20 ICED CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576425316 FEXNCMMKFMRXPQ-FQEVSTJZSA-N 437.500 0.959 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579045230 KTPCFUHOZOBCSE-ZIAGYGMSSA-N 445.505 0.302 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(=O)N(C)C 604269891 HQPZVWJNFXQPGD-UHFFFAOYSA-N 426.542 0.590 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434427 COSUAIMTNJUDEP-UHFFFAOYSA-N 442.453 0.391 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 604472879 UXEVHVZAELIGGT-UHFFFAOYSA-N 440.569 0.890 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1C 604561133 UAJCGRVZGQXEDF-UHFFFAOYSA-N 433.494 0.093 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 608828203 JXVCLTWDZCJVTN-UHFFFAOYSA-N 436.493 0.929 30 20 ICED COc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCN(C)C 725715576 BUCHBCVTISWSSV-UHFFFAOYSA-N 446.529 0.991 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCS(C)(=O)=O 729671476 OOWSFTAVBNATJW-UHFFFAOYSA-N 440.493 0.961 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCCC(=O)OC 732796822 JEGSMBDFZKCPOY-UHFFFAOYSA-N 445.545 0.670 30 20 ICED COC[C@H](C)NC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830334 HLUCHBRAVIZHBB-SWLSCSKDSA-N 445.432 0.167 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1 735044638 OBJUKCLNOMQNKP-KRWDZBQOSA-N 435.546 0.389 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3(C#N)CCC3)CC2)cc1 736846247 WJWKDHKRAFNQQQ-UHFFFAOYSA-N 433.486 0.959 30 20 ICED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1OC 737097042 KVOHROMGFKNNHC-UHFFFAOYSA-N 446.489 0.890 30 20 ICED C[C@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742487458 RDXVUNXZVXNHDG-MRXNPFEDSA-N 447.561 0.270 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1 744007208 CVBGHTALVHMCGQ-UHFFFAOYSA-N 425.426 0.963 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752666017 SKOPKEJLEBMNEK-BUHFOSPRSA-N 447.926 0.505 30 20 ICED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(CCC#N)c1ccccc1 754803368 KTKRLOZKQIQBLK-CQSZACIVSA-N 438.444 0.312 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 763461409 ZGJMKCKYOMRIGL-UHFFFAOYSA-N 448.548 0.992 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(N)(=O)=O)ccc1Br 765426201 NWUZFSOEFGSGDZ-UHFFFAOYSA-N 441.311 0.978 30 20 ICED CC(C)n1cnc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 767499373 HDDWARDWFSDBSI-GFCCVEGCSA-N 439.519 0.786 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 777025269 WHBQQBPYERGPCJ-SFHVURJKSA-N 449.529 0.997 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 783544810 DTASPAPZQSLRJR-AWEZNQCLSA-N 445.519 0.713 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3cccc(OCC#N)c3)C2)cc1 785074198 UHOGRSOYHPZCFU-UHFFFAOYSA-N 444.469 0.725 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 787777141 YAHKAIJLAWJRHZ-UHFFFAOYSA-N 432.435 0.417 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)c1C#N 788115600 WBESRFGYTOWMOK-QFIPXVFZSA-N 435.488 0.716 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 789958806 DZVJWBRCGALATQ-JXLCAQNNSA-N 442.563 0.557 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n(C)n1 793075650 ASDSXIKKWQRLTJ-QJOMJCCJSA-N 432.506 0.796 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793829475 WJEXCJXGSSAAON-RDJZCZTQSA-N 438.525 0.279 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)o1 796278588 IISAZFXEMNJZHB-SWLSCSKDSA-N 438.506 0.648 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)ccc1F 799003414 PEGACHBYXDOXLI-DEXQXJORSA-N 440.522 0.969 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 807381490 WXAKLJMWWIJJHS-UHFFFAOYSA-N 425.438 0.605 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1C#N 809504225 RIJADYAGBDTYKR-UHFFFAOYSA-N 437.456 0.747 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)CC1 810352866 YFEBJKLMFTUABV-JOCHJYFZSA-N 436.553 0.544 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c1 811458249 VGDMVZNBKPGXJU-UHFFFAOYSA-N 439.419 0.998 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1359467630 VTFGNPZSYHCLDY-MGPQQGTHSA-N 432.572 0.451 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360485418 IXAZKKNJQWWENC-HOCLYGCPSA-N 445.549 0.798 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CCO1 1503784973 XYRPSVVHIWMMDZ-KRWDZBQOSA-N 428.493 0.841 30 20 ICED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1=O 1519196291 RNCWWDHYZWUDRA-QGZVFWFLSA-N 442.545 0.880 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1555388940 MBRIGHRSCBNOCE-QGZVFWFLSA-N 434.522 0.560 30 20 ICED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1628621444 UHJYOXWPGSXPDC-UHFFFAOYSA-N 437.865 0.007 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1695534795 HQCLERUEWHZWNA-PXNSSMCTSA-N 431.518 0.982 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1722555160 JUEDQAMBLOWAHA-AWEZNQCLSA-N 446.961 0.422 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1731184021 YHEKRDDNFKBTEW-HNAYVOBHSA-N 432.481 0.769 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1746736403 UOUAWIHSIVRIQS-LVCYWYKZSA-N 434.541 0.506 30 20 ICED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1748273732 LRSVOILKSAJFHU-MRXNPFEDSA-N 440.483 0.703 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1760301295 WZISRZDPEAENFY-JTQLQIEISA-N 444.377 0.278 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1778158610 DBIIXGFCGWYDCB-NRFANRHFSA-N 430.436 0.983 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778356642 MOOLDPRGBFCYSQ-IBGZPJMESA-N 428.480 0.192 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779070236 XDQVVIXFAOIEQH-RXVVDRJESA-N 440.493 0.294 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c2c1CCC2 1779100587 BLBYCSNSRJMGOO-RWTMDTCBSA-N 445.520 0.881 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200008 FAPIMWNWNWJELE-HXPMCKFVSA-N 433.490 0.440 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1781968128 DYZJXIXAIVAOHQ-SFHVURJKSA-N 442.369 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 1784406782 NRMPMBDLROCWIA-ICTHTSFCSA-N 429.521 0.660 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1785576081 GPIWALJQPWLGBK-LUHXQIJTSA-N 449.504 0.764 30 20 ICED CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)CC1 1786859712 DKRJBTXYKTXHOW-ULQDDVLXSA-N 434.537 0.591 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573365 ZCXXIMARJSUHJN-DWRORGKVSA-N 430.461 0.216 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791182387 RPZILOPTEXVGEP-BZSNNMDCSA-N 435.521 0.488 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792491270 GCKLPDFNRAUIRK-NOOKGOPLSA-N 438.484 0.385 30 20 ICED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793259089 HGKNGEUNMCMUKK-ZMMAXQRCSA-N 435.521 0.529 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411370 KAJAESXYIOICCQ-SCNOPHJPSA-N 428.464 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1cccc(Cl)c1 1795626069 XSQLSUZCDTUYOJ-UFIVBPFWSA-N 446.935 0.788 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)ccc21 1798692330 GYIDSATWFHBLCX-CWPLJXCYSA-N 448.483 0.594 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccncc1 1800187331 CRPFAYMOLHJEKH-SQPNHVSGSA-N 426.517 0.708 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)c1ccc(O)cc1 1800518642 CPILCSRLUNWLOH-OVCNXMPXSA-N 427.501 0.744 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2)c1ccc(O)cc1 1801055631 BIQDLOYTCNVUPL-PRHHBONVSA-N 427.501 0.615 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1802676357 CDIWKMFOMLWERN-IEBWSBKVSA-N 443.552 0.640 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803570876 JCHANGSUSASYKF-QLVMHMETSA-N 426.473 0.604 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810347454 FWTBJDIRGHHGOC-KIQACKJLSA-N 432.521 0.329 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1812669738 KHCLPJYZXBCGTI-OKZBNKHCSA-N 438.475 0.949 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1823079717 WUQYGZLJJCXZIG-GHMZBOCLSA-N 436.494 0.408 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)o3)C2)C1 1829773132 BSIXUJHOXKHIFI-DYRFGFBLSA-N 431.489 0.445 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829846070 MCLZBHKDVBUKBC-NZQKXSOJSA-N 442.516 0.472 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831221225 INEWTNFJQKNCFC-URXFXBBRSA-N 436.512 0.622 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831391008 DACALRUYIJLOIF-VGSWGCGISA-N 430.505 0.256 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1831396699 PWTRRBJVLSJIBQ-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831396805 KILWYGRFHDCWSV-UZUQRXQVSA-N 441.484 0.675 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831487299 MUMWJEIHYLLZHV-FUHWJXTLSA-N 430.958 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C)n3)CCO2)C1 1832610342 QIKKCVCHASIORD-XXBNENTESA-N 429.517 0.817 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccn(C)n3)CC2)CC1 1833073830 JKFSUCZLGMIWMG-PLNGDYQASA-N 428.537 0.464 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)c1 1834173431 UAINKKLHTGZPHQ-JOCHJYFZSA-N 439.472 0.684 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CC1 1835344663 OXJYMTGAZSVTBA-QFIPXVFZSA-N 438.440 0.195 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cs1 1835674952 HSEUPVLTXZMITF-NRFANRHFSA-N 449.577 0.732 30 20 ICED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835803596 JURZOLICXGGDKZ-LJQANCHMSA-N 430.490 0.617 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c(O)n1 1836349004 UHSKWZFKVDOKIZ-OAQYLSRUSA-N 442.476 0.408 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836967456 VZCIDMSDSOBABH-IERDGZPVSA-N 434.493 0.327 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094413 OIKPFYTWUZRYMA-YVABFXQFSA-N 441.488 0.611 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1837310764 XUIAJOKGLYVBIQ-JBYIUTFZSA-N 436.553 0.919 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837402635 ITYDMMCHMZTYNP-AUSIDOKSSA-N 432.517 0.964 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837489406 FZQLULZYDQJOSJ-HSZRJFAPSA-N 444.532 0.741 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837533704 ZUQCNUVVZGVBBW-VIZCCBKPSA-N 449.508 0.328 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837560180 RRSBHGPYXFWCNQ-WNBNNUDTSA-N 447.879 0.912 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)c2n1 1838486485 HZUVPMWKDLOEEI-QFIPXVFZSA-N 439.472 0.945 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595391 NMHHBRRXJZWIHM-FQEVSTJZSA-N 444.879 0.724 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838832193 SVOATFVWENIGAX-OAQYLSRUSA-N 436.509 0.482 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907410 ROHWMHWVIIMMTH-JTSKRJEESA-N 438.488 0.556 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1839224121 FCYWLHOLYHTESU-UWJYYQICSA-N 435.525 0.610 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)ccn1 1839227054 ISCXJZIGHZEHAH-IIBYNOLFSA-N 434.493 0.961 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1839364104 LYUHTOYMQQMAFJ-VAWZGJIGSA-N 425.485 0.715 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1840162470 YHDSAHYRUPHLJO-RBZFPXEDSA-N 434.518 0.960 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840171913 HGWJAKUEKSOIAB-QHCPKHFHSA-N 441.484 0.705 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285751 ZHKGMYSIEDDVBK-JWELCKPZSA-N 439.843 0.803 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484256 IJVHYTVLSPIYFK-BDNZGDGKSA-N 430.505 0.929 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840514100 KUMFOYBAFOUNTP-JOCHJYFZSA-N 432.521 0.950 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840811361 IXGLUOPCNUOZDS-XXBNENTESA-N 443.500 0.879 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841582696 PVIAWMVOKRKHRU-UXPNVYJASA-N 430.527 0.047 30 20 ICED C=CCOCCCC(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1841606348 FYZKZVYNVRVSLZ-UHFFFAOYSA-N 442.553 0.869 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1843821060 DXMQWAZRRZLOHB-FGTMMUONSA-N 449.548 0.846 30 20 ICED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCCNC4=O)C2)cc1 1843997862 MXLVFHNGRHIKRS-UHFFFAOYSA-N 432.484 0.948 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1845959642 OQDDIAFGFNVSGA-UHFFFAOYSA-N 425.470 0.114 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(C#N)cc12 1847786305 XMTKUQBETKDYSU-DQYPLSBCSA-N 444.517 0.578 30 20 ICED N#CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9066320 KFILSBWDSZNQCF-UHFFFAOYSA-N 438.462 0.899 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 26193597 XOTPQOQCQIESLA-IAGOWNOFSA-N 435.550 0.858 30 20 ICED C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(N)(=O)=O)cc1 29450855 UYOHLLAKGLTQSZ-JKSUJKDBSA-N 442.545 0.989 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CCC2)c1=O 430991659 VTTNFXZWZLJMPW-UHFFFAOYSA-N 429.571 0.930 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)n1 440260390 YJHSNEGVFCHRLZ-UHFFFAOYSA-N 438.897 0.873 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 446534268 YSTRCXUGGMTEGT-UHFFFAOYSA-N 439.451 0.896 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 447027523 DLAYMBADHUJUNN-UHFFFAOYSA-N 431.522 0.588 30 20 ICED N#Cc1cc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)ccc1OCC(F)(F)F 468435637 MNDGBSLLTWKJKS-UHFFFAOYSA-N 445.379 0.843 30 20 ICED CNC(=O)COc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 471701514 PLBXQPJAMLMYCQ-UHFFFAOYSA-N 426.477 0.696 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 483684442 QCLORABDLKJPNH-UHFFFAOYSA-N 436.472 0.674 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2=O)cc1 487399239 RFMMPXUOLDVSGU-LJQANCHMSA-N 441.513 0.937 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 491246569 HVPKGRLCJYQBMQ-UHFFFAOYSA-N 427.274 0.973 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 501724846 AHUHDLDSRDWYLT-TZIWHRDSSA-N 441.576 0.460 30 20 ICED C=CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 502017835 RIZNXMJAEVEAJZ-UHFFFAOYSA-N 449.492 0.742 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 504002567 AHHVXVMJAPHWEL-UHFFFAOYSA-N 445.549 0.982 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2C1=O 506002648 OZOITVYGUIMZDE-QWHCGFSZSA-N 433.486 0.138 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506715169 IQUOGGONDYUTLY-HUUCEWRRSA-N 438.506 0.356 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)CC2)c1 514884737 PVRXERTUUPZYMM-OAQYLSRUSA-N 448.527 0.485 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(N)=O)cc3)c2=O)cc1 522531271 DVGIAFWBTFWVIY-UHFFFAOYSA-N 432.505 0.809 30 20 ICED Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 522794320 QEYKJZGCQVPKFM-UHFFFAOYSA-N 432.462 0.895 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 524485783 JZCGNROLHZYSKK-INIZCTEOSA-N 443.479 0.754 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 548618249 ZMEHRBXUXYEQSA-LLVKDONJSA-N 435.864 0.296 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1=O 552350106 SKRBYUWWURGCQY-SFHVURJKSA-N 441.536 0.446 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)n1 556531228 YESYTSMBSLJSTG-KSSFIOAISA-N 426.864 1.509 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n(-c2ccc(C#N)cc2)n1 556539354 PWKDQQSSWDAGHK-OAHLLOKOSA-N 449.471 0.743 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)CC1 557704847 KQVMCSGVEDOLSV-HZPDHXFCSA-N 425.580 0.457 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561130104 NHUVRMBHTRZZOD-IEBWSBKVSA-N 443.523 0.915 30 20 ICED COCCNc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 561327075 NIPZJFYXQCXXCP-UHFFFAOYSA-N 439.520 0.624 30 20 ICED C=CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3ccco3)n2CC(C)C)CC1 566843977 QUVRDOPZRRVJBK-UHFFFAOYSA-N 429.525 0.881 30 20 ICED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 567423024 OBJONTVXXLOOJG-UHFFFAOYSA-N 435.531 0.762 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 582618669 IQKGEWNUZTWQIO-QGZVFWFLSA-N 430.557 0.918 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588774344 TWOUXMCCXUEZET-RDJZCZTQSA-N 447.492 0.009 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 589657146 WJDGUBQKQJLXSR-OAQYLSRUSA-N 447.513 0.964 30 20 ICED C[C@](CO)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 609483787 DVFLKSGGZSRWTN-JOCHJYFZSA-N 442.541 0.888 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(=O)N(C)C 731203257 DBVNLMSRXNJDBX-UHFFFAOYSA-N 430.555 0.427 30 20 ICED NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732234160 VVFUCNDQNLESBR-MXLIYFDZSA-N 426.477 0.784 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2=O)cn1 732563426 YYTHKYAQXINQCI-UHFFFAOYSA-N 437.481 0.576 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 732700844 MLMZQMFZCXLYPF-UHFFFAOYSA-N 448.549 0.157 30 20 ICED N#Cc1cccc(OCC(=O)NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)c1 751850277 FAUXPHIGMCNCDR-UHFFFAOYSA-N 426.447 0.996 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 755596971 VCKLOAUHRXLDPN-QGZVFWFLSA-N 432.546 0.367 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3nccnc3C#N)C[C@H]1C)C2=O 756909765 VBIWJVZXZMZPLB-FAGJFJLWSA-N 440.508 0.391 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758059517 PQGZKDSRRRXMNB-UHFFFAOYSA-N 443.532 0.913 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 762934712 CJYIZQDVYKAVQR-STQMWFEESA-N 444.469 0.894 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 765914298 KSLHFQMBIFUYGN-XQEBGNCTSA-N 447.517 0.271 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1 767102151 GCAAFLMEFQOIHK-UHFFFAOYSA-N 429.454 0.594 30 20 ICED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 779207764 CKLMNDLZOZVDRN-MRXNPFEDSA-N 431.518 0.792 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cc1F 782599582 CTOMULKUFUQYQY-UHFFFAOYSA-N 431.489 0.876 30 20 ICED CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2nnn(C)n2)C1=O 783065190 WKSBCSGCCARSAE-ZDUSSCGKSA-N 436.567 0.861 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 783481962 SFOLUBULBHHJLG-ABSDTBQOSA-N 447.557 0.883 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NC1(C#N)CCC1 784187121 OUOOTQVQCQXDEO-KUHUBIRLSA-N 445.497 0.973 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 784715857 LVWIMRZZIFUZKF-IBGZPJMESA-N 426.498 0.914 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H](C)CO 786023834 YFKROGQVBYMNFM-NINDBSIVSA-N 440.522 0.028 30 20 ICED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1ccccc1 786270109 UDAPUKWHMBFNRX-CYBMUJFWSA-N 429.454 0.656 30 20 ICED CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCNc1ncccc1C#N 787787411 KFOLPERDAPYSIT-INIZCTEOSA-N 429.502 0.850 30 20 ICED CN(C)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(F)(F)F)c1 794524044 TZYUONBCVNJVLF-UHFFFAOYSA-N 433.412 0.481 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794579691 ALWCGAFKFJTRJC-AWEZNQCLSA-N 429.498 0.933 30 20 ICED COC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(F)cc1Br 796144759 UZYBTVDCMVJELM-UHFFFAOYSA-N 432.231 0.816 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)C1=O 799267123 DCPAZRFGAOAYRT-OAHLLOKOSA-N 432.477 0.589 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c(F)c1 802559491 RTTLIUSSFWUIMN-CQSZACIVSA-N 436.459 0.570 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@@H]1CCCO1 804104439 JKXMORVCJHEFNC-ICSRJNTNSA-N 427.501 0.642 30 20 ICED O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 816756662 BRRBWQOACDJMOK-ZDUSSCGKSA-N 432.296 1.000 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918432103 UJQYOZFUGLMGOV-IQQDNESTSA-N 436.490 0.459 30 20 ICED COCCn1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccc1=O 919577501 FKPBKSPTDWPGKM-UHFFFAOYSA-N 429.433 0.168 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1291223646 KYUIGTIXJQDYTQ-ZBFHGGJFSA-N 428.518 0.918 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1293218484 RBJBSGGBAHFOEP-QGZVFWFLSA-N 437.504 0.814 30 20 ICED O=C(NCc1ccccc1)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1299830099 MUYDUGMKNHGQLW-INIZCTEOSA-N 426.498 0.890 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 1503681165 JCHCTDFCPHOXTO-MRXNPFEDSA-N 443.533 0.377 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509784293 HLFKPDARDCZHDR-NVXWUHKLSA-N 437.570 0.286 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1627090919 LTBAZCLKNSAEAT-KDOFPFPSSA-N 433.534 0.036 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C3CC3)[C@H](C)C#N)CC2)cc1OC 1654165618 RKXMDTGJJMPMNA-OAHLLOKOSA-N 436.534 0.913 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1741803742 SKFRIIRNNYWRHX-DLBZAZTESA-N 437.614 0.945 30 20 ICED C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1743355310 KTYFFHGPYGCDAH-HNNXBMFYSA-N 431.518 0.982 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1761238910 YMFXCFIALBHROS-QGZVFWFLSA-N 425.493 0.895 30 20 ICED CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1768331438 XNQJAAVFDOWERH-ZRBXUZRCSA-N 432.572 0.118 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)/C=C\C(=O)NC5CC5)C4)C3)c2c1 1778834793 SJMFTWMNHXRKLW-UZQCKINESA-N 448.483 0.713 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1778968642 UDQTUCUUALQHIG-AVRDEDQJSA-N 427.505 0.834 30 20 ICED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779394915 GDVKYSWGUQROAI-DENIHFKCSA-N 436.549 0.862 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780070337 ZXXRJPBHPNOMKU-HXUWFJFHSA-N 443.533 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(C(C)C)CC3)C[C@@H]21 1783529696 XELSJNMSTIAFEL-KZBNWSPGSA-N 446.592 0.945 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783907160 YNJKZJOXEQQBFC-STSQHVNTSA-N 449.548 0.848 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)CCO2 1783921773 SMYIOXHJGPCJTD-VFNWGFHPSA-N 439.509 0.849 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784509568 SAZFRNJZNJOJEQ-QBRPEMMGSA-N 447.536 0.938 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1784744965 MZSYMYQWHOAXNE-FQEVSTJZSA-N 445.501 0.313 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1786859234 ZIEQVRYOZFLGBD-SZMVWBNQSA-N 442.520 0.282 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccc(F)cc1 1789698032 YYTOEOUDWNNWKX-DBSRCYSRSA-N 445.447 0.071 30 20 ICED CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccc(F)cc1 1789699690 YYTOEOUDWNNWKX-QUJKESNLSA-N 445.447 0.071 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)o1 1790328093 MJJJQYGGAKRFHE-ZVZYQTTQSA-N 449.471 0.962 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c(Cl)c1 1790859453 DDWPBMRWPLPVIQ-DNUAJFIVSA-N 430.892 0.941 30 20 ICED 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 1791078999 RLLQJDXTPLSTBN-UGUYLWEFSA-N 437.493 0.310 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791132221 FMKIHUDUHSNCSB-FHWLQOOXSA-N 444.594 0.955 30 20 ICED CC[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 1792861354 HPQJMQQUVAUOMT-BAESOJJISA-N 426.395 0.946 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793011512 UNLYMSVNHOTMLH-LJCCNALRSA-N 435.546 0.828 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)C1 1793262571 ATIYDSIFIFOZTO-ALXJQNPVSA-N 435.496 0.948 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NO1 1793276430 FKTFUSRJBHFUHJ-WJLOEWIOSA-N 425.485 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1793342995 DWJPODXWBYGMPW-UGNRZPKXSA-N 442.516 0.160 30 20 ICED CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1793797663 OWQVZVBQWHZCGP-ACDBMABISA-N 433.597 0.978 30 20 ICED Cn1c(=O)c2c(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC#N)csc2n(C)c1=O 1795858323 NOSSRYHUYUSQFN-QDMKHBRRSA-N 443.529 0.783 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796275730 NYWCDSVNUFKDPN-CCWDJLKJSA-N 427.461 0.442 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1ccccc1=O 1797932835 UBTSMJRUIVJAGT-BMFAXAFESA-N 429.521 0.281 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799684943 NRCGBRQCUVWFAI-YVGSNYORSA-N 431.489 0.937 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801969830 NLYSEOYBXUBPHZ-IZZQQSIFSA-N 430.505 0.615 30 20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802142711 MWBMZMOIOWTLFZ-SPCJURDBSA-N 449.504 0.357 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCNC(C)=O)[C@H]1c1cccnc1 1802489766 LZHMAJBZNMWBJZ-OTVNPASYSA-N 427.505 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802675866 SEUNYKWFWNQGFH-UXTXJKSZSA-N 442.520 0.217 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1802689474 YGDMIODQGPUXEC-CTNGQTDRSA-N 440.548 0.801 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1807149520 HRFYCPXAWDINSZ-QRFRQXIXSA-N 440.548 0.895 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819239792 SRVKNTDPYQHCIU-PBHICJAKSA-N 449.512 0.748 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)NC(=O)C=C)sc2C1 1820134242 JNHLFDJPZRPDKC-MPBQIQEOSA-N 431.518 0.604 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCOCCOCCOCCOC)CC2 1825022340 GGMRPMWFYLMANC-HNNXBMFYSA-N 439.534 0.775 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826032992 MZVJQHFYYHZWME-CQSZACIVSA-N 438.575 0.589 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1831387471 JDBVWUXXNVTJCZ-LYHRCORUSA-N 430.501 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1831388571 ZLDMYWIFESTRNV-HTAPYJJXSA-N 432.521 0.746 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831405664 GGCYIBLVIZINPI-OAQYLSRUSA-N 425.526 0.294 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831452099 MWDWCCKYFORXKM-QAPCUYQASA-N 434.580 0.043 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1832447049 PGZSGTKPDQORLL-XGHQBKJUSA-N 440.562 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1 1833464984 DUTDYVMXVZUQDP-IBGZPJMESA-N 446.592 0.999 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cccc1=O 1833873435 ZECOSJXFHPPUKX-HSZRJFAPSA-N 436.468 0.641 30 20 ICED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)ccc1F 1834678840 LSPWJOOOHMVPPT-UHFFFAOYSA-N 443.527 0.295 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834720924 GSRXXYCHMGSLEV-UWJYYQICSA-N 427.549 0.691 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1835680812 WCUWSLAZMOHPKL-IBGZPJMESA-N 445.564 0.878 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1837311746 MWLKBZZQQYZMLQ-LVCYWYKZSA-N 440.562 0.788 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1837403712 ZEXJUDCIGXYABV-KGVIQGDOSA-N 434.537 0.782 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837482770 CZCPQGOIPXZGTN-YCRPNKLZSA-N 439.476 0.247 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491218 WOEJBQIITYFPJM-HSZRJFAPSA-N 442.516 0.554 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837662996 MFWVKSIWQPACOZ-NRFANRHFSA-N 434.493 0.950 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1838583586 ITQCGHTZCYNOAM-QFIPXVFZSA-N 427.457 0.616 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1838661756 RFCNTKZHULCIPO-QFIPXVFZSA-N 430.505 0.487 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1838907246 GWYGOGBWBSQDNF-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)c1cccc(Cl)c1 1839043036 BWFHIISNUSODBG-CTNGQTDRSA-N 448.907 0.887 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839224091 DTXITRIPMZKUBA-OXJNMPFZSA-N 426.514 0.016 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839224444 SOKOLMGLJBLGFG-FOIQADDNSA-N 437.497 0.612 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1839421483 UILBLWITRSZKFO-JOCHJYFZSA-N 440.431 0.715 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1839808076 JSCAJUZZZYAGKF-VWKPWSFCSA-N 439.484 0.424 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1839811472 XCIJIGZKTOMEAD-XMMPIXPASA-N 440.544 0.532 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839838811 OHKQAHDBDRVXRL-VGSWGCGISA-N 430.505 0.480 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1840913220 RJASUCTUWPCHSF-NRVIRDBHSA-N 433.505 0.474 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840929051 YSXDJFOEOFAMFI-CVDCTZTESA-N 437.581 0.748 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796544 JODOWRDVOWNCFL-MRXNPFEDSA-N 431.493 0.979 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 17955282 KTLXDJKTIIBGIE-NRFANRHFSA-N 426.429 0.683 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 104539407 ZCTURGRNMININT-ZIAGYGMSSA-N 439.490 0.653 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@@H](C)C1 442105118 WVXDACMBZVSSDK-AWEZNQCLSA-N 442.451 0.917 30 20 ICED CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446528517 WATPFIMUTSQUHZ-UHFFFAOYSA-N 445.520 0.800 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 447397912 PIRQOYRULRXABI-QIJUGHKUSA-N 448.539 0.880 30 20 ICED CCN(C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H](C)CS(=O)(=O)CC 460595498 ZVBNDEPLCBAWGP-CQSZACIVSA-N 432.506 1.058 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 470964782 BQIFXINUFQWYFI-GOSISDBHSA-N 431.518 0.398 30 20 ICED COCCN1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 471091908 FZKNWSXYCCZOBL-UHFFFAOYSA-N 428.424 0.529 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 475267633 XQMBTEFQAIFGFK-IRXDYDNUSA-N 446.552 0.614 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 483124345 WGSMJVOTGCKSEN-ZFWWWQNUSA-N 447.469 0.510 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccccc2F)c(=O)n1C1CC1 488148479 RKLMZLJOOKAIER-UHFFFAOYSA-N 447.513 0.144 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 494012196 XSUASWCUXZLFSK-LJQANCHMSA-N 428.489 0.491 30 20 ICED COCCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 496108068 QYQGARZTLRXUJP-UHFFFAOYSA-N 436.534 0.284 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 508960556 MMPJQCDSPGKJRK-UHFFFAOYSA-N 438.160 0.480 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c1 510341490 KITBRPGWLMEADU-UHFFFAOYSA-N 436.515 0.969 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)C1=O 516408330 XHYCFCLTDBNBBI-UHFFFAOYSA-N 447.455 0.639 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 518351607 DUXKVFRGWUFVQR-RHSMWYFYSA-N 447.517 0.646 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 537288884 BMAPRRAZUIWKBA-HZPDHXFCSA-N 425.580 0.471 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550807195 WGIDJWMUOVZOGC-UHFFFAOYSA-N 432.300 0.208 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCC2(OCCO)CCOCC2)ccc1Br 551247468 DMJIZQWFBZQWFJ-UHFFFAOYSA-N 426.267 0.934 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 552884569 DMEOFBSBKHJOTA-APWZRJJASA-N 427.505 0.254 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 555245569 KHGSZNNEPZVVAT-IAGOWNOFSA-N 438.598 0.793 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 564135895 YXWBHJCVFJKLGQ-RNIPGJKVSA-N 447.495 0.389 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 572083369 AVEMCTXHSDPJDT-UHFFFAOYSA-N 442.501 1.325 30 20 ICED CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 582620727 OBJXUDWCDJYSJH-AWEZNQCLSA-N 439.520 1.099 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nc1 584727490 FKWOVRQSZKZYLH-MRXNPFEDSA-N 436.476 0.304 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588232615 QYGSZSKUNGUXQW-HZPDHXFCSA-N 442.520 0.835 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1Br 588372391 NTWIVFOQUMOSID-UHFFFAOYSA-N 429.296 0.801 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O 604269974 LEQXZJQHBIUNAR-UHFFFAOYSA-N 444.582 0.930 30 20 ICED N#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 727677703 PIQTTWCXTZRCMU-UHFFFAOYSA-N 428.470 0.639 30 20 ICED C[C@H]1Oc2ccc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2NC1=O 728087283 SBHMHIWHRGONSD-GFCCVEGCSA-N 443.437 0.982 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CCN(C)CC3)c2=O)cn1 732563341 VFALBMLFQIQBJJ-UHFFFAOYSA-N 442.589 0.668 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCS(=O)(=O)C1 733957034 KYCBZERXOSICDN-ZFWWWQNUSA-N 427.548 0.833 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 735479694 TYSHSFSHLCALFZ-UHFFFAOYSA-N 436.515 0.803 30 20 ICED CN(CC(=O)OCC(=O)NCc1cccc(C#N)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738672704 CGYUWIAFFINCLZ-UHFFFAOYSA-N 446.441 0.947 30 20 ICED N#Cc1cccc(NC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 745386857 JFTQWELOMPAFNT-QGZVFWFLSA-N 434.408 0.970 30 20 ICED CCS(=O)(=O)NCCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 747977739 XQLMNRUTQAXDQO-LTGZKZEYSA-N 445.567 0.950 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 749870839 VXTUZHVNXDGOSA-CQSZACIVSA-N 427.530 0.242 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCC(=O)N(C)C)C1 752740987 TZQQIJAXLBQBHR-INIZCTEOSA-N 436.534 0.455 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[C@@H](C#N)C(=O)NC3CC3)CC2)cc1 766255629 XTOOGKTXADBOLQ-GOSISDBHSA-N 446.529 0.596 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1cc(Br)ccc1=O 766989012 URWCPVLPQRYPGX-UHFFFAOYSA-N 426.248 0.996 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C)[C@@H]1CCCO1 773788841 CAXVUXYZOVURLU-RDJZCZTQSA-N 437.518 0.960 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787663485 VTNRPUUNEAOTKG-STQMWFEESA-N 438.506 0.078 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 788425689 NVNYPMHCFQSPGJ-UHFFFAOYSA-N 433.513 0.770 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794648296 ZJGORLRUNJVLME-AWEZNQCLSA-N 425.466 0.156 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 799257336 IVTJDRVTHDRMCU-TZMCWYRMSA-N 443.460 0.856 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c1 810481006 LSYSVPFYPATCBJ-TXXSQMTFSA-N 434.518 0.810 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 916533168 IDMWOPXWPPWGQM-LJQANCHMSA-N 436.490 0.018 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC 917769979 BMDHRMOHTBABMW-UHFFFAOYSA-N 443.525 0.147 30 20 ICED N#Cc1ccc(NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 919627770 GPDZTXSUSFEFIP-MSOLQXFVSA-N 435.502 0.708 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 920248719 FUVYONWKRVSBLC-IAGOWNOFSA-N 440.543 0.406 30 20 ICED Cn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1298828623 UBPRYCKOTMCVCB-INIZCTEOSA-N 434.526 0.133 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1300845394 XNECGILZRBNGBQ-GFCCVEGCSA-N 427.303 0.433 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)C1CC1 1451490132 LJPHTFKPCKJLAZ-OAHLLOKOSA-N 427.548 0.977 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1541935473 ODNSEHXLGRFYDJ-YOEHRIQHSA-N 426.543 0.560 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596832002 RVYXMPUYCVJYML-RBSFLKMASA-N 444.583 0.058 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1691003789 LYPKVGPWTVKATG-KBPBESRZSA-N 432.572 0.104 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1728201829 SJYFDXITSUUTAC-GOSISDBHSA-N 425.493 0.684 30 20 ICED Cn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)cn1 1769015976 OHCPPANEEHIEMC-INIZCTEOSA-N 448.553 0.523 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949986 KHECYODNOQKOQS-HTAPYJJXSA-N 427.505 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781269703 IEXJZTKOZOYVCG-JOCHJYFZSA-N 441.488 0.611 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)C2)C1 1782026024 JNKUEMQCYREFKO-SFHVURJKSA-N 425.894 0.788 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199668 UKLLXDPTGSMRNL-UBLKFNIESA-N 436.472 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C)nc3O)C[C@@H]21 1783531092 ALBVUQTZNQNDMF-DOCOLBGOSA-N 428.489 0.547 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(O)C(F)(F)F)C[C@@H]21 1786858151 LZLYZOHSJURYRU-NUXNZHGMSA-N 434.459 0.561 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787657319 SKONOOKADNZUCJ-CVYDXHPNSA-N 434.562 0.830 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789799665 LGTOQPIYRRJMJD-JAZQRGJZSA-N 436.597 0.175 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC4(CC3)OCCO4)[C@H]2C1 1790735332 KOBBIHJDFLEXFV-LEAZDLGRSA-N 434.533 0.938 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21)n1cnnn1 1791687768 RPIOXCMWSUUVRX-XJOINEQPSA-N 427.440 0.538 30 20 ICED 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)C#N)C2 1792777311 AJCGOTRNHRIXCU-GYFISPQKSA-N 442.516 0.305 30 20 ICED O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793937208 OTCFODHGZKMPFF-NNYDRLTOSA-N 432.477 0.579 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1795584912 ZSMLGAXYGVILOS-YYIAUSFCSA-N 449.552 0.512 30 20 ICED Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n1 1795811319 DUGSSECQKPDXEL-YVWYUNDQSA-N 433.472 0.614 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])ccc1F 1796404525 KSYHXTRPAMAUCE-XOIINTDNSA-N 442.407 0.775 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797548537 HALJIPVBBXQFLV-IZZQQSIFSA-N 439.516 0.415 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797639858 IMJCQOHEFHAJFV-VGZCRSJVSA-N 427.457 0.349 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1797711000 QBAIFQOJERBKFS-NXEZDXNNSA-N 434.493 0.474 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1802578053 OKFJJHHWQVAJSU-SIKLNZKXSA-N 430.472 0.888 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358296 BJKAJRLTAMLXMC-DETPVDSQSA-N 427.490 0.451 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807697817 YRJGFLJWFACWFV-SUHLBEFOSA-N 425.489 0.522 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810330811 MFKNKOODMZGODE-BJLQDIEVSA-N 440.500 0.894 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1814012567 NYRQTLBXEKSXOJ-CQSZACIVSA-N 437.481 0.659 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814036050 XMCRCGZFFZKZQV-FUHWJXTLSA-N 438.488 0.908 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770667 XWMOHHZAINVVDW-QWRGUYRKSA-N 447.454 0.581 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1815206073 XXQTVUQTSAIXPU-OAHLLOKOSA-N 432.481 0.936 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819950011 ZFRQDHMHQYTXLF-YLDVQIFUSA-N 444.473 0.365 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)c3ccco3)CCO2)C1 1829819758 NJRMEROQKVZRAC-DYESRHJHSA-N 434.493 0.051 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)c1 1830457761 FCDZXVWQHOYIPP-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831438105 MMPFFHUSUMCFQW-OPAMFIHVSA-N 431.489 0.447 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 1831672302 MLJDMGCOPGCJSC-INIZCTEOSA-N 444.444 0.464 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359898 LNRJGPAJJTYUIQ-GCKMJXCFSA-N 439.578 0.552 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NCC=C)CC2)CC1 1833074259 DIMBGEWKFZJARO-HPFMTEOYSA-N 430.549 0.455 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833490633 WHNIRFNLZVZSMX-DLBZAZTESA-N 427.615 0.959 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(O)n1 1833699929 IDEMDIWBWXVSOK-WLENULPWSA-N 445.516 0.747 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CNc3ccc(F)cc3)CC2)CC1 1834681138 FGCPJEPZQRIUAN-UHFFFAOYSA-N 430.480 0.897 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299744 XECBZZQTRSOAMR-JUXOCIIHSA-N 433.505 0.977 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1835354762 AGTIKDVTHAYYRG-NRFANRHFSA-N 432.546 0.866 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513342 WJFYPVBFJUXHQI-UHFFFAOYSA-N 445.608 0.526 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n[nH]1 1835674340 JFLTUYOEVPNZIB-NRFANRHFSA-N 432.525 0.324 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674676 DHJZXGISGBPJOR-QFIPXVFZSA-N 446.552 0.389 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1835679385 GOPBOQWITIBHQZ-UXHICEINSA-N 433.597 0.919 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836451138 PVHZUMJLGOJVTC-YCRPNKLZSA-N 429.477 0.619 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837305121 PYFFGBVOKPSSLG-BTYIYWSLSA-N 432.477 0.726 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837493518 IIPHNYBCPJBMLC-QHCPKHFHSA-N 443.500 0.556 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837524366 GPPOVPZTLRBMNR-FAEOQQOKSA-N 439.494 0.137 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1838582518 QDAJKSCJMYFMPN-NRFANRHFSA-N 442.428 0.644 30 20 ICED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](C)S)CC3)CC2)c(=O)nc1O 1838786284 RRGVCQGXHVNWAA-CQSZACIVSA-N 438.550 0.574 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(C)=O)C3)C2)c(C#N)c1 1839131928 IOOGFXCXSHYZLV-QHCPKHFHSA-N 443.500 0.935 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839224445 SOKOLMGLJBLGFG-MGPUTAFESA-N 437.497 0.612 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1839842508 XMYRDGQRKMILIL-AOMKIAJQSA-N 445.520 0.299 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1840040942 HCMFSJSAZWBXCY-OAQYLSRUSA-N 445.428 0.072 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1C(=O)O 1840158331 JGQDMAGNTPMOLM-YJYMSZOUSA-N 440.522 0.551 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161276 JNZPFLKMGIKNLI-VFNWGFHPSA-N 435.546 0.791 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608080 GGJQNZBJHCOFRV-ZYRMUBPZSA-N 432.517 0.034 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840841059 ALGVHFXDNTWEOZ-NRFANRHFSA-N 449.529 0.110 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842826922 QHJMFZFECKTWHI-UZUQRXQVSA-N 448.564 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1843732623 BBWZHCCISBVYPQ-HJWRWDBZSA-N 437.500 0.552 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)CC1 1843837525 PNUAQUOKDFYNKK-UHFFFAOYSA-N 429.542 0.913 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1847084612 YMPYKKZHIUVZOK-VTJXTGGHSA-N 445.524 0.907 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)c[nH]1 1847640019 KJSUXRTZBSKHAF-XIRDDKMYSA-N 431.493 0.977 30 20 ICED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 427135733 KLGQJQQHSJSVHX-UHFFFAOYSA-N 427.435 0.949 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1=O 440261408 STEPVKLHMNXMLB-INIZCTEOSA-N 438.481 0.549 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 441917117 GEAQQNKCJYZQEY-CYBMUJFWSA-N 438.481 0.936 30 20 ICED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=O 467210379 FALVIBQPAPXENW-UHFFFAOYSA-N 444.469 0.024 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 467534213 VQQGHELNRGZXFQ-UHFFFAOYSA-N 433.490 0.119 30 20 ICED Cc1nc(C(=O)N2CCN(C(=O)c3ccc(C#N)c(C)n3)[C@H](C(=O)N(C)C)C2)ccc1C#N 469060338 QRRQSWXPFZMZBS-FQEVSTJZSA-N 445.483 0.892 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 478739557 QOGHIGXJNFNXSI-CHWSQXEVSA-N 436.515 0.750 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1Cc1ccon1 480941572 WPJRSSIPHOYDNA-UHFFFAOYSA-N 449.492 0.856 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1Cc1ccon1 480959090 KTDLSPOKAKQANV-UHFFFAOYSA-N 449.492 0.710 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(COC)o2)c1=O 481584256 DUPVHIGPTSSWHZ-OAHLLOKOSA-N 429.498 0.633 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccccn3)c2=O)cn1 488974360 IRXVGGHSLXNCFR-CQSZACIVSA-N 434.477 0.806 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 489172946 XDYNBIZBORGXHJ-RHSMWYFYSA-N 440.547 0.252 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 491458660 NDEVNIZSNDBINS-IBGZPJMESA-N 437.504 0.707 30 20 ICED C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 500002229 RRRRHJINJLJLAW-UYAOXDASSA-N 448.589 0.935 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CCCCC3)CC2)cc1 501100020 HALUYFAOKSMANI-UHFFFAOYSA-N 433.534 0.977 30 20 ICED CC(=O)NCC(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 502657962 CFJPOROHHGBVCF-MRXNPFEDSA-N 436.310 0.410 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 511324378 OXCQHMKZOLQLRD-NRFANRHFSA-N 435.594 0.985 30 20 ICED C=CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 512084370 PFLCHKZSRNPLTF-AWEZNQCLSA-N 429.516 0.823 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513582209 JRCXSEMHNWGIKF-SZNDQCEHSA-N 439.497 0.926 30 20 ICED N#Cc1ccsc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533036357 ZEZFLECYNJYEQG-UHFFFAOYSA-N 437.503 0.647 30 20 ICED C=CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 533524079 HLJQVQOWQXJIIH-INIZCTEOSA-N 446.529 0.035 30 20 ICED C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 539189474 XGMDPTKQQJBAMB-IAGOWNOFSA-N 432.525 0.852 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 544872297 DNNXQYXVICBZGR-JSGCOSHPSA-N 432.462 0.077 30 20 ICED CC(C)(CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 550360451 YMGDBJRIQNLAAH-SFHVURJKSA-N 427.505 0.002 30 20 ICED O=C(NCC(F)(F)F)[C@H]1CCN(CC#CCN2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 551448742 GRQNZMICZRVYMK-OKILXGFUSA-N 442.404 0.991 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 553429580 JUIQUDHLYKRTFL-UHFFFAOYSA-N 432.424 0.862 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(OC(C)C)cc1 560427196 IHFLWOXQMWVLCB-UHFFFAOYSA-N 437.525 0.977 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1 564644753 SPTBXZBWGRHREO-SFHVURJKSA-N 442.439 1.083 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccn2)CC1 565963508 BLTBUDPIOYLFHS-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1 566707294 OWKWHANBFNAXMQ-UHFFFAOYSA-N 431.474 0.047 30 20 ICED CC(C)OCCN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 588942462 FGFIUNNFQMQSAW-UHFFFAOYSA-N 428.537 0.607 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589038259 LCNQJHJUSQFEFW-YJBOKZPZSA-N 435.488 0.251 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)c1C#N 589438818 UJGQPAYKUDVAPD-OAHLLOKOSA-N 429.506 0.986 30 20 ICED CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 733231135 YWGDXEUSFOOLSR-AWEZNQCLSA-N 440.460 0.440 30 20 ICED CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 739127929 VJPZFXVOLLEVRA-WKRZDEFASA-N 449.533 0.565 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)c1 747006010 AYXGHYHWUNURPB-ULJHMMPZSA-N 449.533 0.613 30 20 ICED O=C(NCC1CC1)[C@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 748754603 RTAFJMOBEIGCFS-OAHLLOKOSA-N 436.559 0.933 30 20 ICED COC(=O)[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 751622735 NLAJRCJKWCQSRS-PBHICJAKSA-N 433.442 0.481 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 752417485 CXKSIONKCPLJIK-UHFFFAOYSA-N 446.485 0.839 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752438448 MRXZBGHQTSIXLM-CYBMUJFWSA-N 440.474 0.789 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 753666384 XKIYSAWWYZAPJX-QZTJIDSGSA-N 442.560 0.804 30 20 ICED COC(=O)C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 754517483 DDBKMMGDKJUNOA-QGZVFWFLSA-N 434.518 0.322 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCOC[C@H]2C#N)c1 756951945 HXIVIJOULJBCDS-LLVKDONJSA-N 432.296 0.738 30 20 ICED CC[C@H]1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 757119899 GNWIRVJKZZWDDA-DLBZAZTESA-N 435.502 0.892 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 761028355 FKMAXCIHPOSKTL-GFCCVEGCSA-N 429.886 0.660 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)C[C@@H]1CCOC1 762142548 UONBJYPSLNKUCD-CQSZACIVSA-N 443.547 0.768 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)cc3c2OCC3)c1=O 764994847 NFOSGEYJASBOHL-UHFFFAOYSA-N 444.310 0.489 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 767677929 HAYSGXYDJAECDE-ZIAGYGMSSA-N 445.501 0.996 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2cnn(C=C)c2)c1=O 772328787 HVWGUXXOIIGOFS-UHFFFAOYSA-N 444.472 0.997 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 774239012 FZNPISOXICIVDM-OLZOCXBDSA-N 427.479 0.078 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(-c3ccncc3)ccc2OC)c1=O 774540008 FFDGZAUXGNHVRS-UHFFFAOYSA-N 430.489 0.863 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250762 YRLCBYFAUSEJNH-LLVKDONJSA-N 432.483 0.167 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 784868843 FPURCIKYNGRXSV-UHFFFAOYSA-N 433.486 0.140 30 20 ICED COCCN(C)c1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1 790150611 PCAJVKMHZYQAHD-UHFFFAOYSA-N 447.565 0.941 30 20 ICED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793142891 VCTWUDLIEDPQCF-HNNXBMFYSA-N 439.494 0.460 30 20 ICED C[C@H](CC(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 799002433 UAUCWZJWEKWUDB-MMLJXLSQSA-N 449.558 0.569 30 20 ICED CN(CCCNC(=O)COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)S(C)(=O)=O 805587615 KDVPVKDSIYPUKE-OAHLLOKOSA-N 440.497 0.465 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808038082 NWHMYQZALYCTPL-DLBZAZTESA-N 442.520 0.975 30 20 ICED CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2cccc(C#N)n2)c1 810803545 LXYJIKKXTDBILY-UHFFFAOYSA-N 428.879 0.976 30 20 ICED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)CC1 815490948 DZHVWQGWLFLDKH-KRWDZBQOSA-N 441.492 0.107 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 853052550 WLVUYMVRYQEFSZ-MRVPVSSYSA-N 439.234 0.687 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 912531513 SOGCMHGPQOLLOY-UHFFFAOYSA-N 447.452 0.886 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2ccnn2C)c1=O 914564821 FURBSCYCBBKTHW-UHFFFAOYSA-N 427.461 0.571 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 914757332 SPGCIUPKDUPYCV-ZFWWWQNUSA-N 427.548 0.691 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 916875094 KANBLSUGICPHQW-GOSISDBHSA-N 437.518 0.915 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@](C)=O)CC1 1288820520 ZXHGIPAVRXXLSC-QWVSSGJLSA-N 428.584 0.929 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccccc1N1CCN(C)CC1)c1cc[nH]n1 1326505280 JWLJVVJMWOTXNY-UHFFFAOYSA-N 428.493 0.762 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1340015796 IFHSMSULWDHYDC-UHFFFAOYSA-N 435.506 0.096 30 20 ICED Cn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1503674280 UNYZFFPHTNSORQ-OAHLLOKOSA-N 441.883 0.767 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1543311339 QUSISGCEGXLCNS-KRWDZBQOSA-N 430.538 0.461 30 20 ICED CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1649602716 NUMYJZWDOJQSLE-CABCVRRESA-N 426.543 0.824 30 20 ICED CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1662818633 VWEUXPCASXISBL-CYBMUJFWSA-N 437.444 0.936 30 20 ICED C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1693755573 QVKRDIOWVYARKA-NCOADZHNSA-N 431.541 0.846 30 20 ICED Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)cnn1C 1707023552 UKLBDXXXIWBHOO-UHFFFAOYSA-N 428.522 0.892 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1731184364 LCPPFNDKHBUJBC-UHFFFAOYSA-N 428.518 0.634 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747455906 HLCSUTJVWQNZHB-HKBQPEDESA-N 443.577 0.796 30 20 ICED CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1761303973 JWIWNPUENIBVBY-GOSISDBHSA-N 448.549 0.996 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)ccc1F 1778158344 CLWKIUAHLNTYPM-QFIPXVFZSA-N 444.463 0.912 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778355556 ZMRPZRXDQOQFNH-REWPJTCUSA-N 432.565 0.749 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779106835 MHLUFNLIMYGCIH-CRESJJQNSA-N 431.493 0.802 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1780174824 BUYJQIFADJTNIN-FQEVSTJZSA-N 435.502 0.445 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1 1781787048 SESDXCDNEBYUGP-QFIPXVFZSA-N 447.455 0.241 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnc5c(c4)NC(=O)CS5)C3)C2)CC1 1782422961 QNUCVCNNAQPJSJ-HXUWFJFHSA-N 427.486 0.873 30 20 ICED C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCO2 1783523195 DARKGOVXLHNQMJ-JZKQVHKSSA-N 445.582 0.799 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783577158 PNZQDCYIAYCWCM-YCRPNKLZSA-N 435.477 0.304 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)CCO2 1783913276 LTYRTOKXGMIELL-QFIPXVFZSA-N 440.504 0.586 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)C1 1784082044 QQMPJFRIUDVLGY-GFEQUFNTSA-N 448.564 0.837 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21 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0.867 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)ccc1F 1800134026 IAALDJLRIBHNHA-SUWCGCSTSA-N 430.480 0.529 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801372513 GBHBXHCAVBDEHD-RUVFXVMISA-N 433.509 0.638 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1802035014 GJRQEIRWWGKYCM-HFFXBPSSSA-N 438.525 0.410 30 20 ICED C#CC(=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 1802228389 DJKQLXAHJPQAHN-FZKCQIBNSA-N 441.550 0.586 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806641486 OIRPNIQAZKTOFL-ABSDTBQOSA-N 428.489 0.875 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807024519 XRECPBWMDMEOEU-QAPCUYQASA-N 442.478 0.731 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@@H]1c1cccnc1)C(=O)O 1808845972 QOSPXDKGBPMXLR-MYZZLAAOSA-N 433.509 0.951 30 20 ICED O=C(C#Cc1ccccc1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810492009 SRPAVNLMULYENI-UHFFFAOYSA-N 445.483 0.709 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1812677034 NFODZGXMIPIDHJ-SQWLQELKSA-N 427.427 0.799 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176042 PJHXVPUAUHXISM-XPGWFJOJSA-N 430.530 0.967 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4(C#N)CCC4)sc3C2)CC1 1828012702 DJKIRIUVZRSNGA-OAHLLOKOSA-N 444.561 0.913 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1828888435 FEPMEUPSMFMDCN-SJORKVTESA-N 437.537 0.722 30 20 ICED O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997146 ALGDSSNBZLCAHM-VRZFSWRYSA-N 446.548 0.969 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1829789065 QCJQIHYBXQYMIA-OAQYLSRUSA-N 440.610 0.919 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)cc1 1829902316 MPQDENJRDFTYRP-NRFANRHFSA-N 441.513 0.910 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1831276292 FGKDDTSCLNSHOM-HXUWFJFHSA-N 434.880 0.418 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831396624 HJVXUPCFFSMTOX-HXOBKFHXSA-N 443.475 0.735 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831401578 CADAOGXZYPJBCZ-JLHGSKIFSA-N 430.505 0.009 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831464470 QRTSIHXONRJITD-PBHICJAKSA-N 438.493 0.335 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831490810 LXQWMKYYLTYYSX-PXNSSMCTSA-N 433.534 0.754 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835653537 SCHSEOADXJJBFD-FQEVSTJZSA-N 431.518 0.645 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974124 OSJMIUXDOWESRE-HTAPYJJXSA-N 430.505 0.328 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838477882 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C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840841990 HAXNPVVSGOULGK-SFHVURJKSA-N 428.411 0.922 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1SC(=N)NC1=O 1843406700 MXKJPDMISYOYKX-JLTDPJCTSA-N 437.522 0.521 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1)C2 1845959045 BHTCTJWQEXLOGF-MOPGFXCFSA-N 425.485 0.985 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@H](C)ON=C(C)C)C2 1846257265 XLAAGIRUQWILFY-SFHVURJKSA-N 443.541 0.687 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26879470 LEUGNJRRBLGGHP-KRWDZBQOSA-N 440.547 0.205 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 29690944 GPDXCJMMWVJUSE-UHFFFAOYSA-N 442.497 0.869 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCO1 409586794 LMZCXUVLUYKJJL-KRWDZBQOSA-N 438.941 0.965 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 410163767 ZYSUWLOZKPCKSI-QZTJIDSGSA-N 429.587 0.406 30 20 ICED N#Cc1ccc(O[C@@H]2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)nc1 427464962 YHGWLPGVGQQQGT-WBVHZDCISA-N 441.469 0.386 30 20 ICED CN(C)C[C@H](O)COc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 438789659 BMFPBYRJNFFVHE-INIZCTEOSA-N 428.493 1.388 30 20 ICED CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc21 446526214 GZZCCDDWWKMJBH-UHFFFAOYSA-N 442.520 0.792 30 20 ICED N#Cc1ccc(S(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 463067831 FUXNEXSFRFHWPT-CABCVRRESA-N 444.506 0.666 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 469476958 XVRCMFWLNBVBPJ-UHFFFAOYSA-N 433.534 0.313 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)CC2)c1 473276299 KLKUFLCQIXWHDI-UHFFFAOYSA-N 447.455 0.292 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479378817 QCKSZJCPZAWGOM-UHFFFAOYSA-N 429.527 0.350 30 20 ICED COc1ccc(C(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 480511110 KRQSJLUOUYQYMM-CQSZACIVSA-N 430.486 0.780 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 486630146 NYOCOYGREQFLJG-HNNXBMFYSA-N 440.441 0.387 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 511411212 DKBFGRCFXXOAKN-AYHJJNSGSA-N 434.562 0.964 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2F)c1=O 523090190 IEWKHYBFSZHZTB-UHFFFAOYSA-N 437.468 0.490 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1 524281242 MYXYUPYNHFQKOD-UHFFFAOYSA-N 427.482 0.300 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)c1 531588060 OCCGQMXMRDGKAB-UHFFFAOYSA-N 431.518 0.504 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543013038 WIBXBYNCIMKOEJ-CQSZACIVSA-N 448.480 0.609 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 549929871 WJTJDCNNUAEBNB-UHFFFAOYSA-N 439.415 0.549 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 571365978 OQMOCMGUUOIFOG-UHFFFAOYSA-N 425.533 0.574 30 20 ICED Cc1ccc(NC(=O)CN(C)C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 583301031 KSRAAMASOVRNPE-UHFFFAOYSA-N 437.500 0.958 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 590998808 YIDJLGKSBPREFN-UHFFFAOYSA-N 428.470 0.809 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1 606079656 UBERRBDEGQEIQI-UHFFFAOYSA-N 444.536 0.992 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 609560048 SWHPDLBLDRTNKV-MRXNPFEDSA-N 441.513 0.986 30 20 ICED N#CC1(CCCS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)CCOCC1 619590038 RUBQBWRMEMXNCB-UHFFFAOYSA-N 443.547 0.977 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCNC3=O)nnc12 670430075 DAMKSGUFUGRWHU-ZDUSSCGKSA-N 426.502 0.965 30 20 ICED N#Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cn1 725818174 GBWYVTXOVXTYHI-UHFFFAOYSA-N 436.471 0.604 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 728533442 IXSGRMURNNGRFV-HNNXBMFYSA-N 447.333 0.696 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cn1 729030924 QCZMSIUSALBMFX-UHFFFAOYSA-N 431.445 0.892 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCNC(C)=O)cn1 730723807 MOYKOKJTHZGOCK-AWEZNQCLSA-N 430.494 0.789 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(Cl)nc3)c2=O)cn1 732564033 GQMBTCPCCYHWEV-UHFFFAOYSA-N 440.916 0.945 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)s1 750224971 LXAGCTWXNJVVCP-UHFFFAOYSA-N 440.297 0.344 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755489467 PGPQYFVDPVCXQL-CWLKWCNXSA-N 427.482 0.135 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1-n1cnnn1 755552240 MSNSOPFPPIINQV-DZGCQCFKSA-N 440.464 0.785 30 20 ICED CN1CCN(c2ncc(C=NNc3ccccc3S(=O)(=O)N3CCOCC3)cn2)CC1 755754173 MNQBTGZUKRWIBP-UHFFFAOYSA-N 445.549 0.695 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)ccc1F 757139593 JCWOMLCYSVWZDD-UKRRQHHQSA-N 433.527 0.738 30 20 ICED COCCN(C)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 757332967 TVHDVUPYBMRIFR-CQSZACIVSA-N 446.551 0.079 30 20 ICED COCCN(C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 757338989 FWBAEDLCYXDBGV-UHFFFAOYSA-N 446.551 0.225 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 758079119 FJUKMDRTPNOZNM-UHFFFAOYSA-N 427.482 0.208 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 764031636 FIBQIGNWZXZFAD-ZDUSSCGKSA-N 426.495 0.827 30 20 ICED C#CC[C@@]1(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 764502282 HYZPDJVFEDPDJH-QFIPXVFZSA-N 434.537 0.976 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767887708 LXHQHRUHNDCVCY-UHFFFAOYSA-N 427.511 0.964 30 20 ICED COC(=O)c1ccc(-c2ccc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)o2)cc1 771897840 SMLOLEQMOYRVDC-UHFFFAOYSA-N 446.441 0.443 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)cs2)c1=O 782599502 BYQGRGIWJLLDST-UHFFFAOYSA-N 439.946 0.633 30 20 ICED CN(Cc1nc[nH]n1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 784943221 ORQUXIIOWWKKNR-ULJHMMPZSA-N 447.521 0.995 30 20 ICED CN(C)CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785074527 SSRLLLIOZOSYGT-XLNRJJMWSA-N 439.538 0.132 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 789330579 UTPHOICSZHNMDY-UHFFFAOYSA-N 429.546 0.871 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c1 806712495 XPFQWGYURUABHT-IBGZPJMESA-N 429.473 0.966 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 813563105 GRZXIKQDFLFUMY-WTFYQTBSSA-N 441.517 0.877 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NS(=O)(=O)c3cncc(C#N)c3)cc12 813978949 LHCHLDCKJUWLEJ-SNVBAGLBSA-N 432.487 0.833 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCCOCCC#N)c1OC 815192785 MZRRVCBAKWZHJR-UHFFFAOYSA-N 428.463 0.812 30 20 ICED Cc1cc(C#N)cc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1310872598 NJPVWEKUPYBADB-INIZCTEOSA-N 426.520 0.533 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2=O)cc1 1318586911 SWGXGQGQZZMUFL-SFHVURJKSA-N 438.488 0.186 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)CC2=O)cc1 1319434401 VFIORDVDMCGOQQ-HOCLYGCPSA-N 433.511 0.924 30 20 ICED C=CCn1c(Cc2noc(CCCN3C(=O)CN(C)C3=O)n2)nnc1N1CCOCC1 1337901739 KDEHGHPUNBVEAT-UHFFFAOYSA-N 430.469 0.101 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)O1 1341760862 BSVFXCKTZHYVPL-IKGGRYGDSA-N 427.461 0.515 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1509763021 JHSYNJVJTFEEMS-UHFFFAOYSA-N 448.535 0.755 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)F 1510175115 FATGYDNLJVXSNR-NSHDSACASA-N 433.485 0.400 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1765656652 MRUMOOWBHZWTBY-OAQYLSRUSA-N 425.493 0.820 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778412421 FQCZHKQJIZRRDH-NRFANRHFSA-N 425.493 0.683 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779533302 BMOYOMCBJVQKNG-FJVGUQRGSA-N 433.553 0.663 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780016665 MTNQYLKSBRTONR-BTYIYWSLSA-N 429.477 0.366 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc3O1)C2 1782015400 LHYMLDMFIZXURP-DNVFCKCGSA-N 426.469 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1783530625 MBXAVQPBWCWGEP-GFXHUTCISA-N 443.504 0.117 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783867679 QACCWXZTKYLHIH-VGWMRTNUSA-N 441.525 0.136 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784504786 JNIPORWBFVERCA-CVYDXHPNSA-N 448.476 0.327 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1786857885 IERNUUVLSXRRIZ-ULQDDVLXSA-N 446.577 0.830 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)n[nH]4)[C@H]3C2)c1 1786938606 COLPWAWNPHSSCD-OWQGQXMQSA-N 425.445 0.903 30 20 ICED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)c2ccccc21 1788139007 UAZXURXUFWKQQH-BXWFABGCSA-N 439.516 0.869 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788512227 BVWVCHCCPMAILF-JWWVDDTDSA-N 448.564 0.835 30 20 ICED C=CC(=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 1788755885 XWMQERXMPFAUFE-QHERXFFYSA-N 440.500 0.851 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1789575136 VDYMEQXRWXEMOH-CADBVGFASA-N 431.514 0.729 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc2c[nH]c3nccc-3c21 1791077312 VHFQXFVELKHVII-OWQGQXMQSA-N 449.467 0.688 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)cc1 1792558892 VVTOIMKXHZVTRO-BBIADKPPSA-N 449.511 0.839 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1793361081 HKVWOEDODWEXAI-LJGDNWOOSA-N 446.529 0.920 30 20 ICED NC(=O)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1794563907 UIZDFYLJPIJVHT-QDGRBWDCSA-N 429.477 0.961 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)c1ccccc1 1795579912 UOUYJLHSWSYBSB-XAPVIXHLSA-N 437.544 0.613 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(O)nc(O)c1 1796138770 SHLKOUPTNLLIBK-FLBUZXSBSA-N 434.449 0.225 30 20 ICED C=CC[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 1796300530 VQPKJERYPNTIPQ-KSWRQPAISA-N 425.526 0.674 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1796321746 ZDHGSSPDFGDLDX-RMHZUWNSSA-N 433.896 0.862 30 20 ICED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)o1 1797811560 AXJCCMCUZDYMML-QDLITJCTSA-N 448.476 0.970 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1cc(=O)n2[nH]cnc2n1 1798495726 YUIRPCIOCVOOIR-XYLRTUKUSA-N 443.464 0.198 30 20 ICED 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 1799353760 KYZANMKYESZQFG-UXXRCYHCSA-N 431.555 0.170 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1800127842 BARWKJHQQZHSBR-QKPAOTATSA-N 436.557 0.967 30 20 ICED C#CC(=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 1800452286 VLGSJOZAFJYGTN-OGJJZOIMSA-N 435.521 0.529 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)C2 1800455500 CZJIDDDYSYHZOD-CSHUHZATSA-N 443.504 0.467 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1802125974 GCFYBCAOCLBDCL-ZMMAXQRCSA-N 449.548 0.798 30 20 ICED 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 1802293977 DDKUDFYZJWTDPC-JSLGZRHDSA-N 440.591 0.123 30 20 ICED 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C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831412802 DMMVWISPVRANFY-JOCHJYFZSA-N 448.520 0.718 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015550 NPMSOLAYMHDTOL-QRWLVFNGSA-N 438.550 0.827 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)[C@@H](O)C=C)CC2)CC1 1833075039 LTUCVUBOEIUAKU-AQWUKCDYSA-N 446.592 0.990 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2)CC1 1833352269 XJZNJXOAVCGAHK-GOSISDBHSA-N 436.553 0.467 30 20 ICED CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(C)n1 1835341878 COHJNLDZBXBUFT-JOCHJYFZSA-N 429.521 0.992 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674626 AUADDKDBSPVDNG-JOCHJYFZSA-N 429.521 0.742 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1835679384 GOPBOQWITIBHQZ-PMACEKPBSA-N 433.597 0.919 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1835797939 KCOBAAOCEWYJGO-KRWDZBQOSA-N 440.548 0.580 30 20 ICED 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441.484 0.322 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837667183 KQXFBANFPKVESO-QFIPXVFZSA-N 432.521 0.692 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1837885192 SCLQHWIYYVLVOU-MSOLQXFVSA-N 439.553 0.621 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838031154 KUXUXOJGLSZORL-VLIAUNLRSA-N 431.518 0.860 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1838115695 JDYWJHBOFDREHK-QFIPXVFZSA-N 438.488 0.887 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838887794 WCMZUKLGNYPGNN-KSFYIVLOSA-N 432.473 0.509 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c([N+](=O)[O-])c1 1839233023 QHUNMNKANQFJOH-FQEVSTJZSA-N 432.433 0.516 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839240943 FPLZNWJVWGWTSW-OAQYLSRUSA-N 426.477 0.539 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CC1 1839421879 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LNTRTVNLZMYKMH-UHFFFAOYSA-N 449.515 0.777 30 20 ICED CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 504991733 NVVBOXOEZXGKRQ-UHFFFAOYSA-N 436.519 0.500 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 505609582 ZMVOQRLLBKSRMU-UHFFFAOYSA-N 431.518 0.851 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)cc1 506769468 YZUPWDMMPKOKFY-OAHLLOKOSA-N 431.518 0.459 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 507442058 JXBJWUXEFJGLHB-QGZVFWFLSA-N 439.476 0.232 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)n1 508365047 QYWZHULODLTUGN-UHFFFAOYSA-N 444.253 0.307 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O 513507260 PTRSLHXOGMLDOB-UHFFFAOYSA-N 448.501 0.366 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 514966113 OTSIUBUAAXDCIQ-AZUAARDMSA-N 447.967 0.648 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C1CCN(C)CC1 516376046 REEYMJAKNOXPHG-UHFFFAOYSA-N 440.569 0.751 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 521501591 RTLAKQYQUZZHNI-QGZVFWFLSA-N 447.923 0.008 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 522997794 PJJMSOYBJHKNGZ-OKILXGFUSA-N 428.445 0.851 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2)C1 538112882 VVFKFOMXFJTIIL-KBPBESRZSA-N 436.490 0.475 30 20 ICED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 548618849 YCEVAZSDTGWAPF-INIZCTEOSA-N 425.510 0.627 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1=O 550729912 FHGMOIMSXXUBMF-LJQANCHMSA-N 441.532 0.451 30 20 ICED CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 551010391 OZAJZRBLLXWYBU-QGZVFWFLSA-N 444.517 0.952 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1=O 553045888 NHMOXOQMGWMMBL-LJQANCHMSA-N 439.516 0.382 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCO[C@@H]2C)O1 554694507 KSEFGNKTGBTOQM-ZYFHCTRVSA-N 440.500 0.570 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1=O 556984213 CNHJSOWJZDMNIS-YLJYHZDGSA-N 428.533 0.769 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 561121293 MFPYSFFBLIIWAJ-RTBURBONSA-N 427.505 0.397 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1F 563857099 ORKAIXKSBCPZMQ-UHFFFAOYSA-N 429.455 0.461 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 564067244 OLBRPWAKOJYPNE-GOSISDBHSA-N 433.472 0.309 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 573280751 RNDMYTJNSONDAL-KRWDZBQOSA-N 434.500 0.882 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 580804066 FYSQYSWJNDUXOQ-UHFFFAOYSA-N 429.458 0.788 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 580899586 XDIZGPKXPOGZHZ-HNNXBMFYSA-N 447.569 0.705 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCS(=O)(=O)c3ccccc3)CC2)nc1 583160247 SOYMGLHJNLKIEL-UHFFFAOYSA-N 441.513 0.582 30 20 ICED CN(CC(=O)N1CCC(C(=O)Nc2nncs2)CC1)S(=O)(=O)c1ccc(C#N)cc1 604176318 BFOCDVDCUKLCQN-UHFFFAOYSA-N 448.530 0.908 30 20 ICED CCOC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609706412 QWHKNUTXXRRIOV-UHFFFAOYSA-N 429.520 0.538 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 611264560 IVECLEKTOGNCPK-UHFFFAOYSA-N 436.538 0.777 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 613679379 JUUUQTVHMRJIDY-UHFFFAOYSA-N 429.502 0.607 30 20 ICED O=C1C[C@@H](N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C(=O)N1 726943337 QHIGMLGVTQEWMX-OAHLLOKOSA-N 432.502 0.692 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c1=O 729673416 OELLYACBZPBGHT-UHFFFAOYSA-N 434.539 0.691 30 20 ICED O=C(O)COc1ccc(C=NNC(=S)NCCCN2CCOCC2)cc1[N+](=O)[O-] 731557292 JNKYFZQPXPQXJM-UHFFFAOYSA-N 425.467 0.579 30 20 ICED CN(CCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1=NS(=O)(=O)c2ccccc21 742073074 ZLXMAVQYUOXALV-ZZEZOPTASA-N 445.501 0.490 30 20 ICED C[C@@H](CC(=O)N1CCC(CN2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655389 MUIPGQSOECKXPX-KRWDZBQOSA-N 447.605 0.990 30 20 ICED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 747021860 ZSTGUNYGUDBUBD-OAHLLOKOSA-N 427.442 0.163 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 747953404 GQQLEDAFHNXZBY-LJQANCHMSA-N 428.489 0.980 30 20 ICED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 757896557 GODXEMINDMQWNQ-LSDHHAIUSA-N 430.527 0.951 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)n(CC)c2C)c1=O 758075367 GAIVBEKTMSNFSN-UHFFFAOYSA-N 426.542 0.637 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2C[C@@]23CCOC3)CC1 764653811 NBXQRURVSSHXDZ-OXQOHEQNSA-N 433.486 0.361 30 20 ICED N#CC1(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCOCC1 767402827 XJWOXXFGNVDOQK-UHFFFAOYSA-N 437.474 0.510 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnnn2CC2CC2)C1=O 769756343 CUIGXTUZVAGEML-CYBMUJFWSA-N 430.494 0.755 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)n1 789788678 MJEDLQPIPJKUTF-UHFFFAOYSA-N 441.536 0.983 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 795818001 UDSIKXLSMMOQGW-IBGZPJMESA-N 439.516 0.843 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1=O 799177887 WYMUYYLOFDCQMO-WLSWZUKCSA-N 443.529 0.953 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 802577525 CTXOXORMZCXXRG-UHFFFAOYSA-N 436.534 0.584 30 20 ICED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808025633 NNUAZOPMKOGTKC-WBVHZDCISA-N 428.493 0.585 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 811828773 DAYDFFHAOUUSMG-INIZCTEOSA-N 436.486 0.557 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 856619942 SCNHHVFPVKNMIW-HZPDHXFCSA-N 449.529 0.751 30 20 ICED COc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 914683536 GFRBOESOEYADKD-UHFFFAOYSA-N 441.444 0.485 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 916620632 RHZIHJRSPHXAMZ-OAHLLOKOSA-N 437.474 0.181 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 917354093 AYUNHNAGEMAHDS-UHFFFAOYSA-N 448.888 0.923 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)F 1314389319 WFPQKDZURWSGPK-UHFFFAOYSA-N 434.451 0.789 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1360682246 YPIAXWYPHCTKPC-HFKRUFESSA-N 432.547 0.631 30 20 ICED CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1500194682 QAYQFAFBWASKNT-JKSUJKDBSA-N 438.554 0.920 30 20 ICED CC1(C#N)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1657570703 LLFASUVWOCMUEZ-UHFFFAOYSA-N 449.533 0.921 30 20 ICED CCc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1708986615 OFEMSWVGLRSLHU-JSGCOSHPSA-N 439.567 0.879 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1711325566 PFXZDUYUTVAPTH-NRFANRHFSA-N 435.492 0.868 30 20 ICED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1745788355 WDBYFUKYPFFOCG-INIZCTEOSA-N 425.493 0.957 30 20 ICED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1767559127 RZJXINYMLQPXAE-UHFFFAOYSA-N 446.533 0.736 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586471 GJWRXSNSBPZCRS-WHSLLNHNSA-N 426.477 0.290 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1778973169 ZTQYCPOYNNDHKF-SBUREZEXSA-N 446.548 0.690 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCO3)C1 1779033532 SPEFAJHPUNVCNV-AQOAWAETSA-N 430.505 0.831 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779103555 WQBIAFKJJROYHM-DKQKECBASA-N 442.476 0.702 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279518 LDENFZYRIPLKFA-XOWGOQOESA-N 430.509 0.581 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1cncn1 1782533170 XJFPTUMCRODUKM-HRZKFCDQSA-N 431.541 0.825 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1783199221 QKGDMEMJMBCHAZ-UGSOOPFHSA-N 433.452 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccn3)C[C@@H]21 1783529417 MXANSLAKSHNFOM-KQYWMXRHSA-N 426.517 0.852 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1784031498 IUPHCLTZGHQPMW-BQFCYCMXSA-N 440.504 0.779 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1)c1cccs1 1784338703 ICNHQGUSQUMBLD-WUUFJKRQSA-N 429.502 0.999 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693091 BBSFQLUKVYEYQB-JONQDZQNSA-N 436.509 0.155 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)ccc1F 1789907204 NYERJMQYRNOYAE-CBVHJVASSA-N 428.464 0.498 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)[C@H]2C1 1791029414 RNJATGOCPLHKGP-UIFYRBHJSA-N 447.532 0.481 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793630253 GFGSQPSFEJLHCG-AVEIZBFRSA-N 435.521 0.624 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2)C(=O)O 1795642284 LFFTUKSIMRLVFH-AXVVYFOYSA-N 437.613 0.690 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N(C)C(C)=O)C3)c1 1798576650 JDIAETAYBKQRHE-NJOALTMESA-N 428.489 0.637 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)nn1C 1798760586 BLPMRWQIBVJVGZ-HBCWATKFSA-N 449.471 0.694 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1799968317 ZOHGWTSXWDBKAR-MXEMCNAFSA-N 430.593 0.959 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nc2ccc(Cl)cn12 1800779834 YNXSKGDHUCVZMX-DBWKPXFBSA-N 430.848 0.587 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1803566960 PSSRGMKXKDZOEI-UZKOGDIHSA-N 429.565 0.926 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807831413 HIUTWSOCWFWFRB-IUODEOHRSA-N 449.389 0.997 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810352475 BMMCAPCMXYWHGP-XODKDNOYSA-N 446.548 0.311 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)CCOCCOCCOCCOC)[C@@H]1c1cccnc1 1812530138 RYFBFBQDEWBWES-NFBKMPQASA-N 447.532 0.807 30 20 ICED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1814226330 OEYLYEHMSJWNTC-PXNSSMCTSA-N 427.505 0.454 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(O)nc1O)CC2 1814978037 HOVSSDGJUKRODZ-SNVBAGLBSA-N 445.505 0.852 30 20 ICED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)C(=O)C(=O)O 1821714867 CIXTYVCQCFTFNN-NGZBARDMSA-N 447.496 0.417 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)CC2 1825014893 UUMXFNKSYQJGEA-CYBMUJFWSA-N 438.513 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1829763801 BPCKUDAFDFFHCH-ICTHTSFCSA-N 428.489 0.318 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904864 YGAARQXQMKPNSC-HXOBKFHXSA-N 440.500 0.248 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1831221461 MKHKXSMHHZLNSX-JOCHJYFZSA-N 426.448 0.957 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831496397 VXHQOCARJKDNFB-UZLBHIALSA-N 438.550 0.690 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831522416 ABQKSBUCXPAXFX-HYVJGQCMSA-N 445.516 0.800 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1832005532 MGZDXGFAZCNXED-DNVFCKCGSA-N 432.517 0.836 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1832454325 HMPKNMIFBPMQQK-HXUWFJFHSA-N 436.534 0.376 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712191 NYLRTBRZAKPJAK-LJQANCHMSA-N 445.564 0.878 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784600 RYXPBPGIPKMRRL-MRXNPFEDSA-N 446.508 0.401 30 20 ICED Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1 1833825313 UGWCLWQLHCHHQY-UHFFFAOYSA-N 426.517 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834425948 LSGINUUKTQIPBU-NRFANRHFSA-N 434.493 0.308 30 20 ICED N=C(N)SCCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099106 ZUONRVDVJBNRGG-OAQYLSRUSA-N 430.530 0.511 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837391826 WRSSMEIYMJNVPZ-MGPUTAFESA-N 438.912 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1837393442 RLCNKRAVKYENNB-CVDCTZTESA-N 431.533 0.962 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837400966 RVNIDGZQHIOUBJ-KBXCAEBGSA-N 445.354 0.943 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837402638 ITYDMMCHMZTYNP-XXBNENTESA-N 432.517 0.964 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1837493686 RBPRYTAVMLKTON-OIUIXCLQSA-N 442.516 0.578 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1838275907 XJHRAUFRRPXCIS-ZZAWEDPDSA-N 446.552 0.524 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1838908871 YXDWFKLIBCOKGH-GCJKJVERSA-N 426.473 0.154 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1838951524 UIHPLMANELPEEF-JOCHJYFZSA-N 442.472 0.471 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1839174539 ILZDIRPGHPGDOB-QFIPXVFZSA-N 438.521 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839175710 ADVMRHVQTATBGZ-NRFANRHFSA-N 425.526 0.292 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1839227564 UBVAVUUAGPJUHZ-IIBYNOLFSA-N 444.492 0.600 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839633863 VMDYBWSOXMMBBK-URXFXBBRSA-N 436.512 0.622 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)CC=C)CCO2 1839887197 ZHPAAJGIZDGIHS-VOFKWLDRSA-N 427.448 0.513 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2)C(F)(F)F 1840483728 DDANZQCHXSUJMY-GOSISDBHSA-N 429.395 0.783 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304566 OAPCBEPMORZFCB-QGZVFWFLSA-N 439.516 0.263 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1846213423 GBOSVFLFLDWNHG-QWHCGFSZSA-N 429.539 0.965 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1847523147 YEKBQIBXEIWDAI-BZSNNMDCSA-N 427.432 0.720 30 20 ICED C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 23635741 DUSOKAICYWJCKM-CJNGLKHVSA-N 436.490 0.784 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C2CCC2)c1=O 431040106 ZFAVTDCOBBWEFF-HNNXBMFYSA-N 442.541 0.976 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 433657336 VHZGHYQTGUBDOJ-UHFFFAOYSA-N 435.487 0.013 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 435201338 GIRMIQCNZQAYNZ-QGZVFWFLSA-N 449.533 0.959 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440391922 LZVFULLCGBRGGA-UHFFFAOYSA-N 435.465 0.795 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)n1 441943231 SHSJHQWAKWOYHO-HNNXBMFYSA-N 442.541 0.768 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446340957 IGXSOYAWYVULND-CWLKWCNXSA-N 442.497 0.415 30 20 ICED COC(=O)COc1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460587336 CFIFJEHUNUOIAT-UHFFFAOYSA-N 448.439 1.254 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 460689822 KRRQMQMQCCYLOD-ZDUSSCGKSA-N 435.410 1.481 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O 460763038 LDACBYPUHPUZJY-UHFFFAOYSA-N 433.538 1.036 30 20 ICED Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 464988491 WBBKNCGSUYWNLD-UHFFFAOYSA-N 435.452 0.719 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCCC(=O)OC 478847358 CYSQNGCWQULCHO-UHFFFAOYSA-N 445.545 0.670 30 20 ICED COCCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480669928 VNJCTEVUNJFEMH-OAHLLOKOSA-N 436.534 0.616 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 501839162 JXEWXVPRKISGQX-AWEZNQCLSA-N 443.485 0.310 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 506882774 YDOLEUQGHHDPBT-OAHLLOKOSA-N 432.506 0.427 30 20 ICED COc1ccc(CCC(=O)N2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 507029335 HDDAKFIAOVPZGR-UHFFFAOYSA-N 425.489 0.636 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 508134967 OQWQEXDSLZLHGM-SZMVWBNQSA-N 444.513 0.205 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCCC(=O)OC)c1=O 512766357 IHAKODAWCZGJCH-UHFFFAOYSA-N 445.545 0.355 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 514966117 OTSIUBUAAXDCIQ-UYAOXDASSA-N 447.967 0.648 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 519202190 DZRIOOSKOBWVNI-IAGOWNOFSA-N 435.550 0.683 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C 532108065 PDRCBVVPSZPNLP-UHFFFAOYSA-N 437.525 0.678 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 539429305 DXTYRCJVMIYPFU-CRAIPNDOSA-N 428.532 0.617 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)C1=O 540777857 RHZOVFUXSRZZKS-UHFFFAOYSA-N 427.461 0.266 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)nnc1N1CCOCC1 546353876 YJRJXXRQKQOFLB-UHFFFAOYSA-N 449.493 0.785 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 547961821 IEFHGXOCJWYXCU-LLVKDONJSA-N 435.864 0.296 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 550910242 MNBYQLHMQAGBPR-UHFFFAOYSA-N 441.576 0.522 30 20 ICED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 553126525 KPSXJBNMNRGMQI-MRXNPFEDSA-N 435.488 0.582 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1 554158517 KFVDEOZIVUBYNR-LJQANCHMSA-N 445.539 0.666 30 20 ICED COc1ccc(OC)c(CN(CCO)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 558526377 NIKPPLOBMZDXIQ-UHFFFAOYSA-N 433.486 0.875 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 566031545 RJALMQLKHFVIOU-MBSDFSHPSA-N 440.500 0.966 30 20 ICED CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 571954329 QMYFXPCQCQQBFV-LJQANCHMSA-N 434.500 0.967 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)N1CCOCC1 578463910 WHXJIJKVHKEJBM-KRWDZBQOSA-N 447.923 0.614 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 608911381 CXNUAHUHCAFTOH-UHFFFAOYSA-N 449.330 0.187 30 20 ICED CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732155233 ZQPPNENPHAQYMN-HNENSFHCSA-N 436.490 0.858 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCC(=O)OC 732562485 CLWUTEZLDYTPEO-UHFFFAOYSA-N 431.518 0.109 30 20 ICED C#CCNC(=O)c1ccc(N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc1 732912516 PUTPMLGACOKYLF-UHFFFAOYSA-N 441.513 0.947 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 733149138 ZDAYAJYSAWIGRH-JOCHJYFZSA-N 447.539 0.706 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 743889230 IIFSXOVDUXNIBS-UHFFFAOYSA-N 426.404 0.308 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)[C@@H](C#N)C1 754379602 MHJIVQBZQPIESG-JYXJIEJFSA-N 432.477 0.510 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C1 755551183 XCQLFBXOLJCAFJ-JSGCOSHPSA-N 436.490 0.904 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 756155372 GJCAUCOUXDMVSX-UHFFFAOYSA-N 427.914 0.881 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758058470 LQYAJWXSTKURFH-HNNXBMFYSA-N 425.510 0.514 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 762606063 RNQBLFPGVYBZMU-OAHLLOKOSA-N 431.474 0.454 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCC3)C2=O)cc1 771073586 DDRHWSIALYOKJO-SFHVURJKSA-N 434.474 0.602 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nc(O)n[nH]2)c1 780085623 RABZCMWYCHKMQI-BUVRLJJBSA-N 449.493 0.358 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)nc1 786082128 GTTPFYGFRWXTMT-UHFFFAOYSA-N 449.515 0.701 30 20 ICED CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787503504 YGSCAHLCVPUMBM-UHFFFAOYSA-N 449.559 0.935 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)cnn3C)c2=O)c1 795196379 XCJLXPDLWAKCMJ-UHFFFAOYSA-N 429.505 0.704 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 798956118 HWYUXTIZVPTTIE-FQEVSTJZSA-N 426.517 0.584 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 804747245 LSKJJYSBSWBDIY-SFHVURJKSA-N 427.505 0.958 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(COCCOC)cc2)c1=O 808134399 SXTFZZDZFOTLBQ-UHFFFAOYSA-N 437.521 0.511 30 20 ICED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 810391446 FGGBULJCXNBIMA-AWEZNQCLSA-N 427.324 0.926 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CCc2nc(-c3nc[nH]n3)no2)c(=O)c1C#N 816409782 BPKXLMIAYWYZHA-UHFFFAOYSA-N 433.226 0.970 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1 827484669 DUDQSBPUBMMETK-UHFFFAOYSA-N 427.548 0.580 30 20 ICED CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 832520764 RROPBWWFCXKAPR-CQSZACIVSA-N 427.548 0.931 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OCC)cc1 839267382 PTGAKZIJVPIWSE-UHFFFAOYSA-N 435.509 0.836 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 857311712 ZNVBBTGVTZOQPF-HNNXBMFYSA-N 437.518 0.917 30 20 ICED CC(=O)N1CCN(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917140693 XLBQXDOSDNMQPC-UHFFFAOYSA-N 449.577 0.566 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 1116022299 VWTAYPHQIFCEGG-XDOYNYLZSA-N 426.473 0.947 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1288726881 WQYOVMNJZDTEIY-YWZLYKJASA-N 432.550 0.753 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1302987086 KWIWTESKZHSABP-RDJZCZTQSA-N 428.518 0.953 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O 1318780590 OPWOJXNZSFKLIN-UHFFFAOYSA-N 436.537 0.446 30 20 ICED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1517744092 YXFQAQVUWRLDHT-GUYCJALGSA-N 430.506 0.478 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596831997 RVYXMPUYCVJYML-KFWWJZLASA-N 444.583 0.058 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC(=O)N2CCOCC2)CC1 1630556929 WVIFSOAJDUFXMO-UHFFFAOYSA-N 449.533 0.148 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CC[C@@](O)(CC#N)C2)c1 1660073274 XGMMUIFEVUXTTR-IBGZPJMESA-N 437.522 0.656 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCc1cnn(C)n1 1692785421 LTMWVDTVWWAIJG-AWEZNQCLSA-N 435.558 0.780 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCSC1 1692795591 OLNAXMOFCPOOQY-OFQRWUPVSA-N 439.611 0.818 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1706891105 SJPCRFKTARVJCC-GKDNMFGBSA-N 438.554 0.822 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1710484241 RZXFLHUXOBBDDE-LAUBAEHRSA-N 434.541 0.770 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1740739442 SQSKRXQDNWBRNQ-VXGBXAGGSA-N 449.375 0.889 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1748298566 PABUWTFHFLAVAI-HNNXBMFYSA-N 434.522 0.893 30 20 ICED CN1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1767515224 LZRPDGVTJIXFKM-AUUYWEPGSA-N 431.522 0.065 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778238548 KCUFDZSXWDZFLH-BTYIYWSLSA-N 435.477 0.161 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnoc2COC)C1 1778342755 PLZNVJMGUDCKPZ-LHTVMBCQSA-N 446.504 0.807 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778742065 NZTSSYIVPYKFJW-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccccc1=O 1779273160 NJDWARLMNJHSJU-FVTMKTMDSA-N 429.521 0.711 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781270577 QEGHTFXMPKZHJZ-GAMXZPBPSA-N 437.493 0.855 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C(F)(F)F 1781805649 UFAXANPJVUQUCA-HACGYAERSA-N 437.415 0.683 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784542091 YCGXCIHEJIEUAK-JPLJXNOCSA-N 446.610 0.990 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1785079926 PTLROFOZWZKBQC-FXCLAUTBSA-N 427.505 0.350 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375542 CUNNDVCAMUTSGH-HXUWFJFHSA-N 435.502 0.202 30 20 ICED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1785466286 MALFWNZTDCIMHE-QOKNQOGYSA-N 426.452 0.662 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258315 RZOUSTQGVSDMHR-BXWFABGCSA-N 445.520 0.203 30 20 ICED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)CCC1 1788055249 OBEYCIHTBFNTQL-KRWDZBQOSA-N 428.537 0.995 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788575030 RUEQKRDXGJTJJO-UOVPBQLFSA-N 432.521 0.832 30 20 ICED COc1ccc(C(=O)CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791076088 LYADXXLDUHKXNX-QRFRQXIXSA-N 442.468 0.726 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1791268543 GKUPFYNFCJJMLZ-BZSNNMDCSA-N 425.551 0.195 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c1 1792828294 AJDCYDZXDBDJBR-RMFSNUHRSA-N 447.495 0.888 30 20 ICED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cccc(C#N)c2)CCC1=O 1792828445 HBCOULXTCWVCQN-OPMZPASUSA-N 437.500 0.689 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2 1793340485 XNAMXROEBBJEAI-XMJOBFJKSA-N 428.485 0.844 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(C(=O)OC)cc1)C2 1793350086 YWZAJMZDXHLWGD-JWVYWZTKSA-N 444.484 0.480 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796443668 XQBYZXOCVDSHLJ-CTSHNCOSSA-N 433.530 0.945 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1797742253 NYGDJOYTBDSRRB-WRGDSQCOSA-N 428.493 0.081 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1797818609 VQPZGQBBUKCSOJ-PUETWQMCSA-N 445.520 0.633 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccnc2c1OCO2 1798471463 CRHXLTBFJFGXSD-OXKIAUAUSA-N 446.460 0.543 30 20 ICED O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798492229 YWJMIHRWDDLYLT-JTGVTXRMSA-N 434.453 0.959 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1799350195 LKZBLKOSJMHRAK-MHORFTMASA-N 437.537 0.818 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c1 1799801121 HANBCDNLCPDKOK-RDGPPVDQSA-N 431.514 0.647 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1801967086 MGHUCRPKUQMLAK-RMFSNUHRSA-N 448.564 0.542 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1 1802477632 QQBQISVFCVYNQH-YRTIDYAOSA-N 434.500 0.979 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1804350427 YMGMTQOKVADMFT-VNHYZAJKSA-N 439.394 0.804 30 20 ICED COCCn1nccc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808639005 IIRSDTLWDLEKKU-UZLBHIALSA-N 425.445 0.332 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCCN(C(=O)CC#N)C2)CC1 1809026841 JHZAMBNCNWIHHW-HNNXBMFYSA-N 435.525 0.900 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810246198 UMEQUBFJAUWFBE-DFGXFYAUSA-N 443.504 0.259 30 20 ICED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3CCS(=O)(=O)CC3)[nH]n2)CCC1 1823375888 XRYAMIDQQNNGOK-INIZCTEOSA-N 448.549 0.826 30 20 ICED C#CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828580517 SZXQVHUIKNGROO-WZONZLPQSA-N 442.516 0.436 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955504 IXBDUZCKIUMZKN-MBSDFSHPSA-N 444.532 0.988 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831402276 SPHSWGHHZGLNGZ-UWJYYQICSA-N 426.510 0.270 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831426795 PBLGXEOBRFGYMZ-YCRPNKLZSA-N 429.477 0.619 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831427790 ZYDCHEJFIBZKLX-YCRPNKLZSA-N 429.477 0.619 30 20 ICED COCCOCCOCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673997 RZIUPDMBVYAERH-IBGZPJMESA-N 438.521 0.764 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1833465896 VEJSXVKRSJERAI-INIZCTEOSA-N 439.520 0.348 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1834082057 JEYATXCVSJBDNQ-NRFANRHFSA-N 430.509 0.137 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834128933 SQTDNPBYUBOLHN-HPARJBSBSA-N 442.472 0.872 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1834524685 OLEFLTRWRSXRCX-QHCPKHFHSA-N 436.468 0.607 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834739110 FVGHXFWGCLFMNI-QZTJIDSGSA-N 438.569 0.194 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099520 MDGIKNFCYUGEFL-NRFANRHFSA-N 426.498 0.968 30 20 ICED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835389324 MAVVDUZYAQBDRL-QFIPXVFZSA-N 440.504 0.456 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1835513718 CWRKWEHUNBWYIC-HXUWFJFHSA-N 431.518 0.449 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(C)n1C 1835678016 USNABCVYEFJIBV-QHCPKHFHSA-N 445.564 0.994 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835752627 VCSDIFNPBZLWGB-UHFFFAOYSA-N 435.565 0.266 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836048387 HEVFUXHDEVOKEO-JOCHJYFZSA-N 432.521 0.848 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1836667798 YGHAQICVNVEXFG-QVKFZJNVSA-N 435.546 0.962 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1837398833 KLVKFVVXSKUJQO-XMSQKQJNSA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837399346 QVGCKOLRMDLNNH-ZWTIIMOHSA-N 433.505 0.728 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773910 DKZMVMFFGKXNOJ-INIZCTEOSA-N 429.473 0.936 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188255 ULLKOGWKUQXYEG-IVZQSRNASA-N 446.479 0.221 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1839226870 FZXPTCCPORSGRZ-PQTWGXLHSA-N 436.553 0.584 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839237440 JMMYSLKGILOBAP-HXUWFJFHSA-N 428.424 0.059 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CC1 1839363763 SPDQSQUWRPYBAR-QFIPXVFZSA-N 441.484 0.776 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)c1 1839451106 ZWZQHRPFHGDDAE-QFIPXVFZSA-N 443.504 0.208 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541354 AZFGKLWRRGCYTL-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1839806825 ZVCUGNVJABIKEQ-QHCPKHFHSA-N 439.468 0.152 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1841610580 QFXOHGLCQTXVIO-LJQANCHMSA-N 442.553 0.867 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(=O)O)c3)CC2)cc1 13312893 ZKHMJPQYUZCPMI-UHFFFAOYSA-N 435.483 0.952 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCCNC(=O)c2cccc(Br)c2)CCO1 409589636 UZXGYBQCQHQRDL-AWEZNQCLSA-N 431.312 0.628 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 430368079 DOGUDIRXEIJOSU-MOPGFXCFSA-N 435.546 0.758 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 442494648 LAMSCPWTRCWHGC-QHCPKHFHSA-N 438.532 1.544 30 20 ICED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 460792350 ITFAEAIQCGOYOC-KRWDZBQOSA-N 434.522 0.848 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2SC)OCCO3)c(=O)n1C 461376737 NKVXHIWHLXQLQB-UHFFFAOYSA-N 429.523 0.745 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 464863718 YKQJXUGRHFYKJT-AWEZNQCLSA-N 443.533 0.762 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1C 467553369 ZQJXKDPSOKBJFS-AWEZNQCLSA-N 443.525 0.806 30 20 ICED COCCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 477680435 RXPCQWSLCRXWMD-IBGZPJMESA-N 427.505 0.397 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccnn3C)c2=O)cn1 478847866 KLVALNJQQKDTSH-CQSZACIVSA-N 438.513 0.348 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 480807735 VDCVHYJKTWRDTO-HIFRSBDPSA-N 428.536 0.013 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)cn1C 481067641 GQYIJOJJXDWIHH-UHFFFAOYSA-N 443.938 0.949 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 488632984 QZBVHPDOCDBPJJ-KRWDZBQOSA-N 446.467 0.604 30 20 ICED CN(CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 489182943 LKACYHZKBXKYPO-QGZVFWFLSA-N 440.547 0.205 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 500253519 OSWDWDHAVYZLSS-UHFFFAOYSA-N 435.868 0.684 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 508075558 JCVZIADQWGAUSF-QGZVFWFLSA-N 447.923 0.008 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n1 508332115 LTIUVKGOYOGFSD-UHFFFAOYSA-N 442.451 0.991 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)n1 508381087 WHRCZEBMVQNQFQ-UHFFFAOYSA-N 425.836 0.768 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508478004 ONTKIJIFRDBHAT-SFHVURJKSA-N 438.488 0.904 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508885521 QIYPNUWNFNYXKV-LSDHHAIUSA-N 427.575 0.111 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)cn2)c1=O 531630630 VAPPVYNWBZHSPI-UHFFFAOYSA-N 430.530 0.306 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 533379400 IIFFRUBJCJVAET-OAQYLSRUSA-N 441.557 0.989 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCCc1[nH]nc(N)c1C#N 534099112 FZDHHLBDXBWPNQ-LBPRGKRZSA-N 431.522 0.353 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)n1 542603136 ZXZBGAKZKOMQHH-UHFFFAOYSA-N 429.458 0.439 30 20 ICED C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NC[C@H]1CCS(=O)(=O)C1 552894677 GDAOSYOTJVYMRP-IMJJTQAJSA-N 436.509 0.579 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(I)ccc1N1CCOCC1 553655194 YCWWTGXDRCHBDC-UHFFFAOYSA-N 428.230 0.497 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3cccs3)N(C)C)CC2)c1C#N 555681903 GWIBCHAVJVSBQI-MRXNPFEDSA-N 429.550 0.729 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O 561817364 VLHQUDYMMXQYTF-WOJBJXKFSA-N 428.533 0.639 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 565119723 NQNICZDGMPYMEG-HNNXBMFYSA-N 428.514 0.437 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 581503583 QLHBFXGLCJFHIT-UHFFFAOYSA-N 430.440 0.619 30 20 ICED CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)CCN2C1=O 588118045 XMXKLBYZRIIYKE-GFCCVEGCSA-N 427.280 0.978 30 20 ICED CN1CCO[C@H]([C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 588127411 GFQYWOXIXCRHLG-OALUTQOASA-N 433.940 0.932 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C(=O)N1c1cnn(C)c1 589403698 TYJXSVJBXCGVOT-WFASDCNBSA-N 433.432 0.121 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 603806702 XTSNZEKEDPKRCM-FQEVSTJZSA-N 436.534 0.819 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 609030877 HYZBJCCTXZHGQL-UHFFFAOYSA-N 445.501 0.160 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)cc1 616794792 GJJDLDBUWCOEGS-UHFFFAOYSA-N 436.534 0.758 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4nc(N(C)C)no4)C3)CC2)o1 619782039 SKURAEPMEXXEBU-HNNXBMFYSA-N 428.497 0.832 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)C1=O 685031107 RJQCUDGCXZNVPL-IBGZPJMESA-N 441.532 0.648 30 20 ICED C[C@H](ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 733306101 MGTRUJVKMYRZHN-YOEHRIQHSA-N 432.502 0.989 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 735922396 AVPMARYUPVHDQM-UHFFFAOYSA-N 432.546 0.432 30 20 ICED Cc1cc(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 738859126 DZWSBCZXYKLKQW-INIZCTEOSA-N 433.424 0.775 30 20 ICED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 747021858 ZSTGUNYGUDBUBD-HNNXBMFYSA-N 427.442 0.163 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 754907369 YXQOBTGVZHOJJJ-HNNXBMFYSA-N 425.894 0.700 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 766380803 IOKBXJDIFYVBGP-INIZCTEOSA-N 448.545 0.713 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2C)c1=O 766388865 RMGYZRYKNYQHNL-UHFFFAOYSA-N 447.944 0.880 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc[nH]n1 772654749 CRCHSVYJLUZJEU-QGZVFWFLSA-N 438.444 0.482 30 20 ICED CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 775430415 OXPUOOISWJKHPG-UPTRSRDDSA-N 436.513 0.363 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 783348210 ZDCCWHQYZOZBGB-UHFFFAOYSA-N 445.563 0.681 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 788272204 QRQSDVZEGOELAC-CYBMUJFWSA-N 433.513 0.770 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cn1 801291457 RXNSTIZGDPWYKL-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807349250 DUDVJCIAVHFVLE-GXTWGEPZSA-N 426.470 0.891 30 20 ICED CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 808234091 RGRKTPPSKPXHSC-DSGGYQJVSA-N 427.461 0.728 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1Br 809124929 UYFRMAGDVFJXMI-UHFFFAOYSA-N 433.175 0.465 30 20 ICED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 853720659 GVLAKIQXBKRURB-UHFFFAOYSA-N 444.469 0.720 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 916199985 QPYDJQOWUAOJIM-UHFFFAOYSA-N 428.470 0.590 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 917036214 VRDQFLSKTLWNKX-XYJFISCASA-N 447.513 0.098 30 20 ICED C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918261627 WYWLIDOPUQIKHG-WYOZQYPVSA-N 432.506 0.839 30 20 ICED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 919315885 OOZXJUVCKDFSCH-JTQLQIEISA-N 435.380 0.793 30 20 ICED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)N(CCC#N)c1ccc(F)cc1 923867821 FULZZHNXKGVBRB-CYBMUJFWSA-N 447.448 0.974 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CCO1 1299138611 XUUAXMJMOFETKA-UTKZUKDTSA-N 428.493 0.555 30 20 ICED COCCN(C(=O)CN1CCC[C@@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308064507 PQXAJYWHANHRGS-KRWDZBQOSA-N 440.504 0.794 30 20 ICED COc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1310011950 NOIBLWKLQLYCAV-UHFFFAOYSA-N 437.522 0.779 30 20 ICED O=S1(=O)N/C(=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 1321602946 XXPNIQQLHMDMBC-UHFFFAOYSA-N 435.531 0.272 30 20 ICED CN(C)CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1332402476 ZOHQPWUBZXRJFO-MJGOQNOKSA-N 432.546 0.879 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1503415925 QATAWCQEWIZDOW-WBVHZDCISA-N 449.558 0.875 30 20 ICED CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1508728316 IZVSUDSSPDYJKH-HNNXBMFYSA-N 440.570 0.902 30 20 ICED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1518974479 ZBAOQGHSJLIEOH-DAYGRLMNSA-N 444.558 0.137 30 20 ICED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCS1(=O)=O 1546528354 MAGRZJONFVZVBH-UHFFFAOYSA-N 430.538 0.469 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1618821684 SWPJIKSHODLNCJ-JXXFODFXSA-N 436.534 0.773 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cn1 1692792264 DAPUGTBWOQVPQI-CXAGYDPISA-N 448.528 0.647 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1698494724 YMFYMFIQGRJVLZ-NVXWUHKLSA-N 444.517 0.822 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCN(C)C1 1741919994 FHCKHQBSNKLYNH-KSSFIOAISA-N 425.559 0.085 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829318 IFRXEPBEFICTMS-QFIPXVFZSA-N 438.488 0.266 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)[C@@H]1SC(=N)NC1=O 1778077691 LBKQYHBJHFAZLH-CWMDILNDSA-N 435.550 0.853 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779310904 JDEKADNUTSDWQZ-NZQKXSOJSA-N 442.516 0.472 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779873085 GYCLVYJXHAOMMY-VBKZILBWSA-N 433.465 0.430 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962248 SWHCXNYFJAABEY-NGPKUFNOSA-N 442.476 0.702 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CCC(=O)N2)C3)c1 1780088920 JKQNCQUOUYXZNS-DNVFCKCGSA-N 440.500 0.973 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362612 NXCCJTKJBPQJTJ-TZVKMXPSSA-N 440.382 0.979 30 20 ICED CC[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1781363596 ZHDJVUWOJJRHHZ-VFNWGFHPSA-N 437.493 0.598 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)O[C@H]2C1 1783494212 FYBLXPZBNPTRMT-FSNCLGKMSA-N 448.520 0.754 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783555116 HMDGXZFLNJOADK-OAQYLSRUSA-N 435.477 0.304 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1783919265 CHHKAGRZDWFHQL-JBDAPHQKSA-N 431.920 0.394 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cc1 1784929687 YRVUHYLYNZNICM-DEOSSOPVSA-N 439.512 0.928 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1785379251 RZXKKPLGMBRVOV-QFIPXVFZSA-N 447.455 0.518 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCn5ccnn5)[C@H]4C3)c2c1 1791648038 RUHQFYOMCZDPQE-IEZWGBDMSA-N 448.487 0.710 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncccc1C 1793990280 BYQNZIIGDUUATQ-ROAZTASUSA-N 426.517 0.771 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnnc(Cl)c1 1794214376 FUGDZGWOFGGCBX-QHITYQDRSA-N 437.884 0.862 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c(O)n1 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437.537 0.553 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1804371133 YQIYGWNCTGPBMK-YYIAUSFCSA-N 448.520 0.993 30 20 ICED CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1804832731 UGQWVYMRXSHTMY-HRAATJIYSA-N 435.440 0.843 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)OC)[C@H]1c1cccnc1 1808465266 YZBXWDLCYIZDPU-LPHOPBHVSA-N 432.477 0.953 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2NC(=O)C3)[C@H]1c1cccnc1 1812211257 QYDVEDYMPCPNIO-KSFYIVLOSA-N 432.436 0.984 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1812526021 OUGOXRJDCAUELH-JPYJTQIMSA-N 446.511 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cncn2)[C@@H]1c1cccnc1 1813397605 SDCPMJXTSZIFFA-CRNLENRWSA-N 437.504 0.799 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)[C@H](O)N1CCOCC1 1819446481 RAUCHUVZEHTSOL-DOWHCJKDSA-N 444.492 0.765 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819556234 BHIDQFAJXRWSML-ZWNOBZJWSA-N 433.538 0.961 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(OC)n(C)n3)sc2C1 1821762760 NYEDZHHUCWJGQD-QDZRJHCZSA-N 444.517 0.969 30 20 ICED CC(=O)Nc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825664369 UZIUIKRCTZGDBC-LLVKDONJSA-N 427.442 0.810 30 20 ICED N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828971699 DFKXUSRVZAIILG-YZFOJRJHSA-N 448.568 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830630333 KGMOODKJBPTQGZ-DYESRHJHSA-N 426.510 0.359 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c[nH]c1C 1830942013 FHJLMLMSMGGNSV-JOCHJYFZSA-N 446.504 0.803 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)c3F)C2)C1 1831402868 TZYBCDMTZAPRGH-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831427476 WMUAUQAIGMLCET-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1831692114 CVRQPRKOMOLIAH-JTSKRJEESA-N 439.553 0.178 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390339 UZHWAFOXALZVDE-IERDGZPVSA-N 449.508 0.258 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1833450181 CKGJNDLSDPCZMQ-KGLIPLIRSA-N 434.628 0.204 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834481321 NBAAKFFHBMQZQO-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100199 GFVLUWNXXRZAAI-WMZHIEFXSA-N 437.500 0.422 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835309052 ZZGXZCANSIOZCQ-XMSQKQJNSA-N 449.624 0.773 30 20 ICED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835389323 MAVVDUZYAQBDRL-JOCHJYFZSA-N 440.504 0.456 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836843944 BYMFNCTVHGHBJN-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1837395243 VBNUDPNUZZBMQU-VGSWGCGISA-N 433.505 0.028 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837396395 CMBXDLNMCTVSKY-OXJNMPFZSA-N 440.928 0.566 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837402636 ITYDMMCHMZTYNP-CVDCTZTESA-N 432.517 0.964 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837437646 FPJXZUZBUDRNAZ-QVKFZJNVSA-N 435.546 0.791 30 20 ICED COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCC1 1837446498 CGKASXVARNNYGV-WWOVWOHCSA-N 436.553 0.874 30 20 ICED Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488728 NSKOBPMJRKMDMI-QFIPXVFZSA-N 431.489 0.752 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837492759 RSFDVVBJQFIMPT-GBXCKJPGSA-N 447.576 0.483 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526021 BJPANVDKXNAFDM-FUHPMGDNSA-N 440.541 0.345 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)C1 1838952022 WPTBYFMFOBZRRQ-REWPJTCUSA-N 426.517 0.970 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100452 AAKCCXDUKHEDCV-GBXCKJPGSA-N 448.608 0.847 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)N3CCN(C)CC3)CCO2)C1 1839104822 KSEPRJFPFNTPIL-XLIONFOSSA-N 444.523 0.290 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H]4F)C3)C2)c(C#N)c1 1839132494 HUDZHVSFJKQMMG-CNNODRBYSA-N 431.464 0.924 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)ccc1F 1839186842 RBIRLUOOBFCLHQ-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448755 SIALSFHROCYLRV-QVKFZJNVSA-N 435.477 0.969 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839466934 CAMILDOJZPUPAB-YJYMSZOUSA-N 439.490 0.997 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn5c4OCCC5)CCO3)C2)CCC1 1839519516 RUXCFSQBFDPYTE-OAQYLSRUSA-N 429.477 0.429 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840105548 PLVLXFLNZOEGKD-QHCPKHFHSA-N 440.500 0.641 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)CC1 1840158040 GLRHGVJYLDYGRH-AXHMDWHKSA-N 428.551 0.741 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840162034 JPGWIYFCJDUUSF-VLIAUNLRSA-N 431.518 0.860 30 20 ICED COc1c(Cl)cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840740492 FJEDLARCEWGLIC-HXUWFJFHSA-N 436.848 0.507 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223954 DNKLWSMZNBPOII-QRQLOZEOSA-N 443.544 0.942 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085365 IDFBMHHYXLQHCF-JLTOFOAXSA-N 431.497 0.346 30 20 ICED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301008 KRGWHDOHGDTKSG-OAHLLOKOSA-N 442.582 0.928 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(C)C(=O)CC1 1848046391 HWFSJODQPASIDK-XIRDDKMYSA-N 445.520 0.713 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)NCCO)cc1 426904872 LDHTYMYJPLVSJX-CQSZACIVSA-N 430.486 0.515 30 20 ICED COc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 427795571 FEMKGGARWWZNRQ-LJQANCHMSA-N 435.506 0.264 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CCC1 430986086 ZFLDEQGJPPZEMZ-UHFFFAOYSA-N 446.510 0.966 30 20 ICED Cc1[nH]nc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N 431693275 RRQXQJAROGQTLO-UHFFFAOYSA-N 430.490 0.842 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C1=O 440278394 DKFHTTOQZZRSQN-INIZCTEOSA-N 427.461 0.848 30 20 ICED CN(CC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C)S(=O)(=O)c1ccc(C#N)cc1 461618719 PPDSINNRKSCMJT-UHFFFAOYSA-N 429.458 0.713 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)cn1 467138358 WAGDAVFUBPBGBU-UHFFFAOYSA-N 445.473 0.702 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 471022273 MPQJHJLVOWDYRJ-HXUWFJFHSA-N 446.983 0.755 30 20 ICED N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 477056193 KBJSNOKLUINYNY-UHFFFAOYSA-N 431.430 0.773 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477264273 FIJSLBQGITUKNT-UHFFFAOYSA-N 434.449 0.633 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1Cc1ccon1 480951560 MEJYNFUZQGNLDL-UHFFFAOYSA-N 438.509 0.829 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 488615361 AIHZOKLTTSLCKR-QGZVFWFLSA-N 433.424 0.745 30 20 ICED COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 489151074 ZRZGIMRDEMFUFU-INIZCTEOSA-N 429.433 0.329 30 20 ICED CN(C)C1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)Cc2ccccc2C1 506404449 PJEZQTDPHTYILY-UHFFFAOYSA-N 432.528 0.817 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513269249 SVYICTJOOGJXPM-LBPRGKRZSA-N 434.453 0.362 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCN(C)CC1 516828550 RUCCLHGAASXGCT-UHFFFAOYSA-N 427.486 0.334 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 518243314 ICUMAPFUDUIZHD-WOJBJXKFSA-N 431.489 0.865 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN([C@H](C)C(=O)N4CCOCC4)CC3)CC2)o1 530283457 YMMIFSCXROWRES-MRXNPFEDSA-N 444.536 0.463 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1C#N 535502037 BQCNTWLIIFJFHB-LJQANCHMSA-N 435.488 0.848 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCOC)C(N)=O)nnc12 539526189 IJBYAXXIYXPSCQ-CYBMUJFWSA-N 430.490 0.329 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)cc1 548742933 YKOLMPAIGDPIOC-INIZCTEOSA-N 425.507 0.432 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)CN1CCN(C)CC1 556353749 CMOPARLAZQUWDB-FPOVZHCZSA-N 426.565 0.223 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 572554679 CDWXODUSLQHWAV-RBUKOAKNSA-N 426.517 0.582 30 20 ICED COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 586848431 QUMSVVXMGRUKOU-UHFFFAOYSA-N 425.493 0.586 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159841 JFWJZYMINHLFEE-KRWDZBQOSA-N 447.499 0.096 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CC)c2=O)c1 603995294 YWJKPGWOYQHJFI-UHFFFAOYSA-N 440.569 0.996 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)C1=O 606334488 ZVYFYWLHVHYTSH-UHFFFAOYSA-N 443.504 0.252 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O 608910768 KMMVJQLLZUKXCE-UHFFFAOYSA-N 442.541 0.602 30 20 ICED N#CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 619476339 FSYBPTLYHCYVMH-UHFFFAOYSA-N 438.487 0.140 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 623228875 USZFBRIQGDMAEZ-GASCZTMLSA-N 442.472 0.529 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OC2CCOCC2)c1 733277282 QYIIRBPLQYSPAJ-UHFFFAOYSA-N 430.486 0.994 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)ccc2c1=O 739696532 JGFHQTIGOFDQFN-LBPRGKRZSA-N 437.547 0.517 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 754937078 IHGYSOJXLVGPOJ-KRWDZBQOSA-N 444.517 0.103 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756452239 MXTNTQVXSIXAJL-CQSZACIVSA-N 449.489 0.586 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 758751155 IUKZHWNXWPCOQD-CVEARBPZSA-N 448.524 0.222 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 773476929 WSYYVAIACOZIGA-MRXNPFEDSA-N 435.502 0.290 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 778005149 SCEYMKWFJLPUEB-UHFFFAOYSA-N 434.440 0.469 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 781593701 JSPPQPMPHBSVSD-OAHLLOKOSA-N 433.396 0.762 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)c1 783464648 SBCYZKUGUDCAFX-UHFFFAOYSA-N 444.469 0.543 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 783481868 YVGXVRCINHXUET-OAHLLOKOSA-N 445.888 0.985 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 789789529 YHFCIUQDGYHSLE-UHFFFAOYSA-N 433.490 0.086 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793829473 WJEXCJXGSSAAON-NVXWUHKLSA-N 438.525 0.279 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCCO3)c2=O)cn1 794646348 HGKKBRLCRXCLEH-IAGOWNOFSA-N 442.541 0.711 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 799284844 PCQJJZZJJMRNIB-INIZCTEOSA-N 437.518 0.699 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC(=O)N1C 800657667 WAUISISZSFSDNX-JPDJOPTESA-N 435.506 0.127 30 20 ICED C#CCNc1nc(NC[C@@H]2CCCN(C(N)=O)C2)nc(NC[C@@H]2CCCN(C(N)=O)C2)n1 808083034 OYYPIOFKQATWKO-GJZGRUSLSA-N 444.544 0.322 30 20 ICED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 810773102 RQABCFWZAFAKMD-UHFFFAOYSA-N 432.520 0.053 30 20 ICED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 810775312 ARLNSUOJTIFFKV-CYBMUJFWSA-N 429.476 0.465 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 915193083 MOIXQYNIGRVIBM-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1CCOC 916198704 TWODSMSZIGUWQB-UHFFFAOYSA-N 437.521 0.975 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)cc1 1189505044 RGUDZFVGUXJZGE-UHFFFAOYSA-N 428.470 0.456 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCS(=O)(=O)CC3)CC2)cc1 1335803871 NKNZESFWNIEIDP-UHFFFAOYSA-N 439.559 0.900 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1360785097 PKZOJPOLIWUUIV-UXHICEINSA-N 430.534 0.944 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507779175 LAAZYRRNWGEXKP-WDEREUQCSA-N 448.347 0.011 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1508632029 MOIUABIZIYTDLM-GJZGRUSLSA-N 431.497 0.825 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1556824088 UREAQFOPPFZBMK-DXCKQFNASA-N 436.515 0.722 30 20 ICED C[C@H](CC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636131112 KHKOKMFWRWSNEO-RHSMWYFYSA-N 447.561 0.315 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC(=O)N1C 1693830507 QJJIDOQOLMVVBP-YCRPNKLZSA-N 426.477 0.547 30 20 ICED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1695437804 WOMBLNKAQYJTIC-AWEZNQCLSA-N 433.538 0.923 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CCO1 1748210807 KNQGDCFEEAFEOS-VQIMIIECSA-N 439.520 0.489 30 20 ICED CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1764418010 WOQZWXPBKLYQMU-CVEARBPZSA-N 438.554 0.920 30 20 ICED CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1767695586 IRVDHAOTIMIZIP-GKWBDSLSSA-N 427.502 0.552 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1769845645 QNZATKVFUQWKTQ-INIZCTEOSA-N 433.538 0.888 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779135836 AWRHZUQWPKAISL-IQTGRTGDSA-N 443.460 0.854 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)c1 1779938319 BONINOCYOZOQEA-QVKFZJNVSA-N 437.460 0.217 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701364 DWGZDIHJGDHLLI-VGSWGCGISA-N 444.488 0.845 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)NCC(C)C)C2 1780737850 AHASEZLCALSFKL-VGOFRKELSA-N 437.537 0.782 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172846 YLTLNQOEIXAVGU-XMSQKQJNSA-N 443.504 0.386 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1781963858 PRNQZHVSIYHXAU-OAQYLSRUSA-N 430.436 0.983 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1782056287 UJDULYBUFKZBIM-QFIPXVFZSA-N 434.456 0.513 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2)C(F)(F)F 1783207902 YBLYQMIUWYQYPS-UGSOOPFHSA-N 441.410 0.543 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)cc1 1783603537 KMBFJAAKECDSJV-ACRUOGEOSA-N 426.517 0.413 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783900149 PLZLJLLJCVJWME-VGSWGCGISA-N 437.537 0.896 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783908530 WKQNAHSSVJZISW-QFIPXVFZSA-N 439.472 0.926 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1)n1cnnn1 1783919376 JOOFQGBNWAWACH-XIVBQZFQSA-N 442.907 0.919 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C[C@@H]21 1784475164 VYBKFLYDONHFES-ONKRVSLGSA-N 430.501 0.747 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363507 MAWYAVWUAWAMPP-YCRPNKLZSA-N 436.509 0.396 30 20 ICED CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)o1 1785883245 KRRMRNWWVDSDJK-JYJNAYRXSA-N 432.525 0.616 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652309 BRKZRSZHAJWTTO-CACUDANYSA-N 438.525 0.410 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C(=O)Nc1cccnc1 1788715815 CIVLUXBLLVCEKT-PQMCOJFKSA-N 442.520 0.472 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1)C(=O)O 1789255818 KKVBWPKAHWIBCY-FZDIXFNVSA-N 444.488 0.223 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1790827727 CPHAXQNUZYZIHZ-FHIRATQRSA-N 436.534 0.644 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792876994 DEEMDDBDHHHPFP-JXYJOFSCSA-N 441.528 0.842 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794318939 XHZDSJISLJRIFK-YALNPMBYSA-N 441.575 0.643 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1)C(F)(F)F 1794320076 QJBZRQMKWNZCML-AGGWBTHJSA-N 447.435 0.807 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602258 DCSFTHXLDMPAAX-BMFAXAFESA-N 429.521 0.720 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797691197 SCFHBQXVVKCYMB-DFYYWFRZSA-N 446.935 0.989 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 1798580744 HIGHWDLBCCJWKU-QIUJIZDLSA-N 441.484 0.648 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798767297 NKMHLPBEGFYWOZ-FSDCSDTHSA-N 433.505 0.875 30 20 ICED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C3)CCC2 1800048010 PEXYLYFXOOUHRX-SJSYYZABSA-N 445.520 0.641 30 20 ICED CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1800173057 KSRCDOPHXNPZGR-OIYLLELPSA-N 428.464 0.869 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCC 1801498192 LZQLYGCGVHSPHU-SFNKJDCFSA-N 437.537 0.919 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806767171 VPWAWIYDDWNQFE-FUHWJXTLSA-N 435.550 0.414 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806869846 PXRSTWFVNPXYHH-FBBABVLZSA-N 437.504 0.862 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695651 MCFYHDBPAWOUPG-DUEBYEGMSA-N 445.520 0.339 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810391721 IPUUJXMSJPEWBJ-MEBQZGJUSA-N 432.502 0.844 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812393200 CLBAONCYLACPOZ-XLIONFOSSA-N 428.489 0.824 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813062782 BZJNXJWEXMTTCE-MBVXMONXSA-N 431.489 0.742 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1814019147 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CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1831104557 SIHXHADDSMJNEB-UUVZMSSXSA-N 446.548 0.887 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831207451 LIQHMWWJJINNOZ-JOCHJYFZSA-N 446.525 0.574 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1831402978 UXYWZWJOTZIMKB-CVDCTZTESA-N 429.517 0.899 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831418912 ICHPHOZPCVTYCQ-IIBYNOLFSA-N 425.526 0.196 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 1831672303 MLJDMGCOPGCJSC-MRXNPFEDSA-N 444.444 0.464 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1832066511 PILUBQURRUDPIZ-UGKGYDQZSA-N 430.480 0.862 30 20 ICED O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc[nH]1 1832872829 HQPFLLZAZHBEHP-JOCHJYFZSA-N 428.489 0.004 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833231193 RCTOQXRBRYVWTK-DPZZJQGRSA-N 445.501 0.386 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834385932 FTTKEPARHBCYNO-QFIPXVFZSA-N 439.472 0.534 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835243311 MWSSRVTTYRIDNI-QFIPXVFZSA-N 447.488 0.300 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1835362542 NEKPCAYDVNCILA-JOCHJYFZSA-N 427.505 0.144 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1835682842 WRHQTOITLFUPDY-CCKFTAQKSA-N 430.908 0.649 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835712928 LSNQJIRWWURVBX-KRWDZBQOSA-N 447.536 0.646 30 20 ICED Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767097 BKYMAAJFADDGJW-ANRKENSESA-N 447.540 0.529 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848656 VHLAJXZTBBVQIN-VGOFRKELSA-N 443.504 0.372 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837140352 UINQDKUJCDJWNV-FKIZINRSSA-N 433.486 0.210 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1837384608 CMLSSOIVCRHZIP-KBXCAEBGSA-N 432.468 0.362 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2NC1=O 1838588335 QVGIYRLLTHUYAD-LHSJRXKWSA-N 428.445 0.390 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1839066099 GANIOEVJSNVJBG-ZBXNVRSJSA-N 435.569 0.256 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839175581 RIXVAHAWIHPYPD-QFIPXVFZSA-N 448.520 0.535 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839227816 ZDUAEBWCJHWRRR-CUKRGZBSSA-N 434.493 0.956 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412682 GMWDMSMJYLXNDM-BTYIYWSLSA-N 447.444 0.409 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839415196 VZZXYLGAUKQMRH-KZULUSFZSA-N 425.463 0.689 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1839421205 BLOUNBCUMZVDDN-NRFANRHFSA-N 441.419 0.577 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3onc4ccccc34)CCO2)C1 1839544428 AMORIWGAEXCPDP-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839554276 YYIOZKSAZHRDOU-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1839810506 AFOTVWQGYOXCOF-USCONSEESA-N 433.505 0.476 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839881751 IADIHECSZWCAEW-YGKZAACZSA-N 442.516 0.908 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840550294 NVOBTDYEXFNJIL-FQEVSTJZSA-N 435.502 0.063 30 20 ICED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)COC1 1840820433 OYUOLQWTMACZHH-HSZRJFAPSA-N 443.500 0.820 30 20 ICED C=CCSCC(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846256348 SIWRTBIMZWPQSV-UHFFFAOYSA-N 430.567 0.805 30 20 ICED O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848014168 LEESKKBDQNMRFC-WDSKDSINSA-N 447.267 0.994 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 31806915 DDENTPVVAUQAHV-NSHDSACASA-N 430.442 0.132 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 104895933 ZXPHFSGDVLLLMU-KRWDZBQOSA-N 427.548 0.458 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 107580681 MACFIARMKYIWNL-UHFFFAOYSA-N 430.505 0.729 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N\CCS(=O)(=O)NC[C@@H]3CCCCO3)NC[C@H]2C1 305042536 WJAKJFAGWBQYRT-HOTGVXAUSA-N 445.586 0.355 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 410138257 QACRMMJYVPIYPQ-ZDUSSCGKSA-N 436.581 0.380 30 20 ICED COC(CNS(=O)(=O)c1ccc(C#N)s1)CNS(=O)(=O)c1ccc(C#N)s1 435440365 VYMRSXBBINZXAE-UHFFFAOYSA-N 446.557 0.825 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCOC1 441962350 ZOJOZNWOKUWZTB-MRXNPFEDSA-N 425.510 0.760 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460692242 TXXAQFAUQQJAAO-UHFFFAOYSA-N 433.432 0.225 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c(C#N)c2N)cc1 471466355 FVUVGNMAMHCRPQ-YJBOKZPZSA-N 425.493 0.899 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1 477152401 QVSFRARPOMBNRB-JLCFBVMHSA-N 442.439 0.781 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)Cn3cnc4c(cnn4C)c3=O)c(C#N)c2N)cc1 479669353 YUPDCIGHATUQIB-UHFFFAOYSA-N 445.487 0.827 30 20 ICED C[C@@H](CC#N)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 479703096 VITYQOHXNCZNOU-HNNXBMFYSA-N 437.522 0.968 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483444246 JADDKKOTIJWWNS-CQSZACIVSA-N 435.506 0.575 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 488630122 VDUMMAGMPSIMLN-QGZVFWFLSA-N 434.518 0.346 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 492379596 XNKNLYHVOPIJPP-QGZVFWFLSA-N 449.533 0.959 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 502011474 QSWYGNPGTDOZQB-UHFFFAOYSA-N 438.513 0.607 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1F 505659585 HWFRWKOTOJXXTC-UHFFFAOYSA-N 441.488 0.346 30 20 ICED CC[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)NS(=O)(=O)c1ccc(C#N)nc1 507447964 JIVBWETZBASXDK-ZDUSSCGKSA-N 434.503 0.645 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 512467234 AXFGWGWOEPUUOG-VSKRKVRLSA-N 446.640 0.801 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 512857851 SMNFWLXLHJIGPO-UHFFFAOYSA-N 439.451 0.244 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1C 516406874 MHMGMZLVSYNDJW-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CCOC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 521804431 OBGLGTVSVNKRPK-UHFFFAOYSA-N 434.518 0.419 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](N4CCN(C(C)C)CC4)C3)CC2)o1 533308210 IXCWGKUCIOCVHP-IBGZPJMESA-N 429.569 0.604 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552258201 XFJCNFCETRCDNS-GOEBONIOSA-N 437.422 0.923 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 553014034 UUVSOVUZCPYATB-RHSMWYFYSA-N 436.534 0.359 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)CC1 559311640 ZTBBENCONWYLLO-MSOLQXFVSA-N 429.550 0.878 30 20 ICED Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 569375029 MJNKNVYUWFBORS-AWEZNQCLSA-N 446.533 0.542 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 575400963 YOUUGRXHCBAWIZ-UHFFFAOYSA-N 437.570 0.494 30 20 ICED CC(C)(CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 584066597 BNFODJMFWFHJRF-UHFFFAOYSA-N 427.549 0.820 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1S(=O)(=O)NCC#N 588001159 XJEXGIZTVSIUFJ-LIRRHRJNSA-N 433.490 0.390 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1 588122770 ARPAETCCZJPQGN-UHFFFAOYSA-N 435.887 0.868 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1 588125920 RPTNADKXTQYGCQ-UHFFFAOYSA-N 435.887 0.868 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CN(C)CCO1 589138730 GTKLNPXUWDKJCY-PBHICJAKSA-N 442.476 0.290 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O 589161861 YQETWWKOQXISLV-UHFFFAOYSA-N 439.584 0.557 30 20 ICED COCCCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 604193421 UCLYZVLKAXSDLY-UHFFFAOYSA-N 436.534 0.570 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609881134 XERNKQQCHUJFBB-SFHVURJKSA-N 448.545 0.427 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)COc3ccc(C#N)cc3)CC2)ccc1=O 729207882 KJWXLEQYYCPNKP-UHFFFAOYSA-N 425.445 0.032 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 731126940 WHHLRCGGPRKTSR-UHFFFAOYSA-N 425.445 0.716 30 20 ICED C[C@H](CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742580958 XLTXSRNRWIBVOF-OLZOCXBDSA-N 428.536 0.044 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1 750877027 ASDVXCXESJAOEM-UHFFFAOYSA-N 433.467 0.777 30 20 ICED N#Cc1c(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cccc1S(N)(=O)=O 755005395 PYQADFOKQPHVGS-UHFFFAOYSA-N 428.536 0.591 30 20 ICED C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 756275075 IYTNURIDTGIPIF-DOMZBBRYSA-N 430.479 0.201 30 20 ICED Cn1nccc1S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 765663336 UACKIZQVDRHEDU-UHFFFAOYSA-N 437.503 0.198 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 767546395 KAVQXPGAQDXSAV-UHFFFAOYSA-N 433.461 0.924 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(OC)nc1 767892795 WPNDUAANSCKDDG-UHFFFAOYSA-N 443.510 0.025 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 771568569 VYURQOIADVYJRC-FQEVSTJZSA-N 442.453 0.839 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1CC(=O)N(C)C 774537036 XNBNYBZJISTCPC-UHFFFAOYSA-N 438.553 0.756 30 20 ICED O=C1Nc2cc3c(cc2C1=NOCC(=O)N1CCC(C(=O)N2CCCC2)CC1)OCCO3 774802601 DRODXRGJLHHHHH-UHFFFAOYSA-N 442.472 0.992 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783481943 SDZVLBDITBLKSF-GOSISDBHSA-N 431.514 0.946 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 785524844 RESAULBIBZQVJD-OAHLLOKOSA-N 447.517 0.016 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 786439450 FWOYZIMHENSFOA-CYBMUJFWSA-N 439.501 0.435 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2nnc3n2CCOC3)c1 790680393 SDARPZHRVNSOLI-HAHDFKILSA-N 433.494 0.943 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 804061654 ZQVTVSPIHFIPSK-OALUTQOASA-N 448.527 0.734 30 20 ICED COc1cc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc(OC)c1OC 805061238 ONNJEDQSPJMKLS-UHFFFAOYSA-N 445.520 0.465 30 20 ICED CCn1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 807372303 FAOOJJHPMICJEO-HAVVHWLPSA-N 432.506 0.971 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 810355661 AELZKRYLRPOJEY-UHFFFAOYSA-N 432.387 0.863 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810369071 DJKNKENTONQLPW-UHFFFAOYSA-N 432.458 0.861 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)[C@H](C#N)C1 810384677 FMMVSPYTGYCMHJ-BXUZGUMPSA-N 429.433 0.831 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3ccsc3)CC2)c1=O 919956838 OJIAWVKBKWWIPE-UHFFFAOYSA-N 431.518 0.457 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1-c1ccc(C(N)=O)cc1 1116150509 NKZQKPLJKXEBMB-UHFFFAOYSA-N 444.516 0.736 30 20 ICED COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1211536035 KJRVBYHOKOAKJA-UHFFFAOYSA-N 446.533 0.822 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1303947744 WHBPBODCKHDYTE-MGPUTAFESA-N 428.518 0.953 30 20 ICED CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1313982296 UUZKSQGBRVBXQI-QGZVFWFLSA-N 425.493 0.943 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1314875343 KJNQHAJJXUHIQJ-UHFFFAOYSA-N 444.521 0.496 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC)CCOC1 1502689036 URPWXFRSTNOYNX-QZTJIDSGSA-N 426.543 0.609 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1=O 1503681715 LCXANKIWQTXQQT-UHFFFAOYSA-N 444.517 0.584 30 20 ICED N#C[C@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1505322707 SRRSIKNIVRISPD-HNNXBMFYSA-N 426.568 0.653 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1561725866 MFFZVNBJRCNTNY-UHFFFAOYSA-N 437.341 0.433 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1611686754 LSRHFXJEHSFKBG-WMLDXEAASA-N 429.522 0.053 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1611687026 PZCVEOHZJVMPSF-ACJLOTCBSA-N 436.517 0.840 30 20 ICED C[C@H](CC(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1628084459 QZWIUFYIKSTXOZ-CHWSQXEVSA-N 430.490 0.714 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCn1cncn1 1692542241 WPIHOJZANXYXID-UHFFFAOYSA-N 434.508 0.906 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1712711343 JWSZOKUKVDYBBA-DLBZAZTESA-N 443.533 0.613 30 20 ICED COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1748813534 QHSSTTVJGGLMAK-HZPDHXFCSA-N 447.517 0.974 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1751173656 LGRADGHXETXQGU-ZDUSSCGKSA-N 440.551 0.235 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)n1 1751853462 IJIGKIZUHDKWEX-RTBURBONSA-N 428.541 0.715 30 20 ICED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@H]1OC 1771342695 XKPZCELKLXUZBN-LVCYWYKZSA-N 429.477 0.730 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1771529236 JTPMRIZYNSNMLI-HZMBPMFUSA-N 438.407 0.301 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931021 CHWAXWOCFQNGHQ-NRFANRHFSA-N 427.461 0.682 30 20 ICED O=C(/C=C/c1cnccn1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105459 KRLFAJVZHVLFNA-UTALOQDFSA-N 429.477 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1779227073 NAIPHSHMJNUDGT-VKUXZERMSA-N 448.907 0.802 30 20 ICED N=C(N)SCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359489 WGZMCUFSSSHCHC-OAIYPOPBSA-N 438.598 0.989 30 20 ICED O=C(/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)NC1CC1 1779364432 PWSWISAAACMYTB-IUDSFTMFSA-N 445.564 0.807 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1780168481 HMHCJWGMLFOAGG-QHCPKHFHSA-N 442.516 0.733 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)C2)C1 1780932959 OQTIEZJDYBLMPA-DYESRHJHSA-N 437.418 0.614 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1781264651 KIUZCDAFWXRTIA-HXUWFJFHSA-N 425.551 0.375 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167534 SJSPFFLZAPWMBD-YDIMBITNSA-N 439.512 0.855 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562709 GBBNVMRURIDKBL-FQEVSTJZSA-N 430.417 0.192 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783913411 XAQPKYLQCGCOJK-UFYCRDLUSA-N 447.557 0.905 30 20 ICED C=CCO[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 1784506223 KDIUPFNSKXZRDS-IMPIEMTGSA-N 441.525 0.400 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1784509060 IXEFEZYXQQNEQT-DHNIJCFSSA-N 430.553 0.881 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789178558 CWMNSQGKQQBXNS-XIRDDKMYSA-N 443.504 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cc1)C2 1792489676 HIALCYOJUXMMTN-FDPCBTFMSA-N 426.517 0.814 30 20 ICED CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1793201840 DWCKSDLTVZSUOC-STWDCKMWSA-N 436.553 0.837 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793775213 DMTORZNYBCAEJX-DKLJTFSYSA-N 431.533 0.405 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270049 NZTDEVUITZCLRG-CWPLJXCYSA-N 449.467 0.334 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794287193 JEFURXYBZRJNSJ-OAFZBRQQSA-N 441.463 0.648 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926820 IROGENPSLBGGJQ-GGXPGOJBSA-N 443.508 0.745 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)cc1 1797653563 XYSSJJJPQHYPQB-JLVBRIDZSA-N 439.390 0.796 30 20 ICED N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)c1cccnc1 1797783232 JANKFFWQCINZHC-VLVHOKLOSA-N 440.544 0.760 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818716 ZRLCGXUFRZTSIV-HFFXBPSSSA-N 438.525 0.410 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797976181 DKOKEFPWIBKMRN-YNNUGWCRSA-N 428.537 0.943 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccnc1)C2 1800105435 ACVGUJMKMPJYBR-BCDXTJNWSA-N 428.489 0.959 30 20 ICED C=CC[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 1800485372 DXIXLUSHXRLJOM-NQNKBUKLSA-N 425.526 0.674 30 20 ICED COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(OC)cc2C#N)C3)CC1 1800557275 RCZSMEPUXQHFQU-XEMDLRDOSA-N 441.484 0.652 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)cc1 1801733510 PFYMJUBVVQDXGY-WKCHPHFGSA-N 428.533 0.416 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)nn1C 1801991974 PEYLMKWVFLDKBY-VPTLXERWSA-N 439.472 0.583 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803647636 GGGDCASRRPQOCX-XYJFISCASA-N 430.461 0.705 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1804177480 ZHMNTDWXEYCUKX-GHTZIAJQSA-N 436.578 0.293 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cncnc2)[C@H]1c1cccnc1 1804644355 MHOHDOBKSYZBFJ-JCJKFKTASA-N 434.500 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1804687934 WLRAIDCWWNGLKP-YRTIDYAOSA-N 434.500 0.979 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807610877 CVJUVCMLFIWXDS-RXVVDRJESA-N 437.504 0.473 30 20 ICED O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1807683360 RTPAMXHJJWKFQZ-QYQNTMADSA-N 441.492 0.908 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810357667 KANNIXBQZXGISE-DWQSOTOWSA-N 447.492 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)n2cnnn2)[nH]n1 1814439237 DGLIVQDCBGLFNX-NPLBLWOUSA-N 427.469 0.508 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1819907235 NIYOCJFATSSAKT-PEOWJQFNSA-N 426.495 0.593 30 20 ICED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322833 IWWZZXRVOHZOIL-HNNXBMFYSA-N 440.566 0.325 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829749381 WYGJIZDOHXOBQB-FZKQIMNGSA-N 425.511 0.241 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COC3CCCCC3)C2)C1 1829762806 SCNHQSQTWLCKMX-AXKGWLQCSA-N 449.548 0.651 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)cc1 1830966881 JTEUHKCSVJMTRS-QHCPKHFHSA-N 435.484 0.855 30 20 ICED COc1ccccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830994672 YAQHRFIHSYRGGZ-QFIPXVFZSA-N 430.457 0.172 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccc3)C2)C1 1831396252 IGGZEVSJLMQCSV-PWHSHALESA-N 429.517 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1831396286 IYYHLIHALPKGSM-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1831408890 FSFDBCDLOSQUKT-AFJIDDCJSA-N 430.567 0.584 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)[C@H](C)CC)CC2)CC1 1833074417 OACPRBSRWOOOFS-GUEKAFECSA-N 434.581 0.823 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)CC2)cc1 1833108113 GMWMGXDQHPDZCS-IBGZPJMESA-N 437.544 0.808 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(-c4ccccn4)nc3)CCO2)C1 1833293047 XQSHYIXGSWCTEE-BTYIYWSLSA-N 443.529 0.927 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1)C(F)(F)F 1833678884 HKDHKPQAXAYQAB-UHFFFAOYSA-N 445.442 0.228 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1833837773 NFTSDBPLXMVIDL-QFIPXVFZSA-N 438.488 0.390 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834395894 OIOIJNGDWAYAIS-JOCHJYFZSA-N 430.505 0.189 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CNC(=O)C(F)(F)F)CC3)CC2)CC1 1834603411 CROBGFIRINOJOO-UHFFFAOYSA-N 429.443 0.540 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1F 1834767322 FQQCKMKRGNFQJR-IBGZPJMESA-N 439.465 0.213 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834959385 HHKILQKTUPVZPX-HTAPYJJXSA-N 434.464 0.699 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)C(F)(F)F 1835096174 SIETYEWFFFZQOB-VQTJNVASSA-N 440.418 0.808 30 20 ICED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1836090309 VMJXPRDEGUOORF-UHFFFAOYSA-N 425.493 0.430 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836187918 QRYRODBCKMCSCP-IBGZPJMESA-N 434.537 0.925 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1837488319 AHKASEQLGFNLPD-OAQYLSRUSA-N 433.530 0.912 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1837658999 JVJNEUMVOZXUIX-QRWLVFNGSA-N 438.550 0.062 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839159371 WCIPDDIMVBQMQA-JTSKRJEESA-N 428.489 0.082 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@](=O)c1ccccc1)CCO2 1839674256 PZWAJEFKRYTOGV-DTZDAYQWSA-N 440.587 0.957 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839844946 ZAXYKYDRQFUEJZ-VGOFRKELSA-N 427.505 0.940 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(=O)O 1840839912 LMNQEVIDDHJTGV-RSAMLISRSA-N 443.456 0.424 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840851076 JDOUTQGCCQCRSV-SQGPQFPESA-N 429.583 0.702 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1840920937 TVEGQJLISXFKLR-FQEVSTJZSA-N 438.601 0.162 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)C2 1845960482 GWBKOVSPTDCULZ-HZPDHXFCSA-N 433.505 0.869 30 20 ICED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2)NC(=O)OC(C)(C)C 1846304535 XPLUMFZHPVONMX-CQSZACIVSA-N 434.493 0.950 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 15545907 RLFFSBDZLZYQDW-UHFFFAOYSA-N 433.412 0.253 30 20 ICED C[C@H](C(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409659087 XGXYTBOEOZNOOR-CRAIPNDOSA-N 435.488 0.619 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 410142139 JWNJZUFLYNQLAU-IBGZPJMESA-N 435.550 0.516 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC2CCN(CC#N)CC2)cc1C 429904692 BBDFZZNHUQDBBJ-LJQANCHMSA-N 449.577 0.568 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCOC1 441925225 NBBQUZNTUPSUGI-HNNXBMFYSA-N 442.497 0.882 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCOC1 441964531 VZBVUVLGFXEAAB-OAHLLOKOSA-N 447.944 0.865 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463008885 HRCZTEJVSXAGND-OAHLLOKOSA-N 441.513 0.796 30 20 ICED COC(=O)CCCc1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 465252727 JYBCBKYSUFIDKE-LBPRGKRZSA-N 430.494 1.438 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 465421976 MKSAKPFFEBLWQD-LLVKDONJSA-N 427.852 0.776 30 20 ICED C=CCN(CC(=O)NCCCN(C)S(C)(=O)=O)S(=O)(=O)c1ccc(OC)cc1 475880967 KADROLJPNKCBAI-UHFFFAOYSA-N 433.552 0.270 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CC#N)CC#N)CC2)cc1 481218637 OHPDGPJVHLSRPJ-UHFFFAOYSA-N 433.490 0.184 30 20 ICED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2)nn1 500673131 YIRRRTPGTAKIPW-UHFFFAOYSA-N 433.222 0.721 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 506593331 WUZDMKGTZDULBI-HUUCEWRRSA-N 428.536 0.245 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 508134407 JMLSHCVEAQDDMR-QGZVFWFLSA-N 441.469 0.456 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(=O)(=O)CC)CC1 508881319 PKBSEZMEVDBFOZ-UHFFFAOYSA-N 429.510 0.579 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@@H](C(N)=O)C1 508960743 LGSSYYUKOGKMJP-MRXNPFEDSA-N 446.533 0.464 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 512371349 HAPXIDKZXXSKDS-IRXDYDNUSA-N 431.518 0.728 30 20 ICED CN(CC(=O)N1CCN(C(=O)c2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 520504603 BYVCCENGXSYHDV-UHFFFAOYSA-N 427.486 0.558 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cc1 524281486 ZTZXIAROOBDWQU-UHFFFAOYSA-N 437.452 0.929 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCN3CCC[C@H](C)C3)CC2)c1C#N 556172206 XKZRKBPSIWMXJE-KRWDZBQOSA-N 429.569 0.877 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 572902782 RPITXXSSKZTPSZ-HZPDHXFCSA-N 436.582 0.545 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 573469571 FFVCNELSVIZCNU-WBVHZDCISA-N 442.563 0.716 30 20 ICED CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581033888 UBSPZQVDSOFKRG-AEFFLSMTSA-N 425.489 0.687 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604164467 LTCPMFDQZVHFTR-UHFFFAOYSA-N 429.458 0.788 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 608564468 HBHCKIORZHEBJX-UHFFFAOYSA-N 436.534 0.584 30 20 ICED CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NC1CCN(CC#N)CC1 610377801 BVZSTDOACMECHB-UHFFFAOYSA-N 428.537 0.880 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 682276486 OIVJQMUFRQIENV-IBGZPJMESA-N 444.536 0.455 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CC(N)=O)c2=O)cn1 732563854 FMIKIDASIVDIAA-UHFFFAOYSA-N 441.900 0.651 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)ccc1F 746614582 AHZYVLLYBKSYTI-AWEZNQCLSA-N 427.498 0.999 30 20 ICED N#Cc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 748241236 ZIEWNKMPZFVHDN-UHFFFAOYSA-N 427.438 0.718 30 20 ICED C=CCc1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 761178485 IWZJCNOQYDRDBR-CQSZACIVSA-N 440.474 0.602 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C)oc2C)c1=O 767955464 LRSBKIZKWNIRDV-UHFFFAOYSA-N 433.555 0.845 30 20 ICED C#CCCOc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 768250863 YAUCJCKAVGCTFE-LJQANCHMSA-N 426.560 0.723 30 20 ICED NS(=O)(=O)N1CCC(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1 770858173 JOZUHUNCTZEWLB-UHFFFAOYSA-N 435.546 0.719 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CCCC#N)c2)C[C@@H](C)O1 776118778 VMEVYPXBKJVRKJ-OKILXGFUSA-N 429.520 0.848 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ncn(C)n1 782139173 VPMBWWUKPJCJFJ-QRLOFXTQSA-N 433.494 0.444 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 783474232 GEHOTROWNLUWJC-BIXPNRAVSA-N 436.433 0.901 30 20 ICED CC(=O)Nc1ccc(OC[C@H](O)CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C(C)C)cc1 784667750 KWECIEIGGILGQX-GOSISDBHSA-N 442.476 0.980 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOC4=O)c3)CC2)n1 789570700 KCHDZTJJHDEXHF-UHFFFAOYSA-N 434.456 0.875 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 800848825 GCPNTDPPIBUBRB-UHFFFAOYSA-N 435.534 0.810 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812380453 MBCGHPKHBZXESL-HOTGVXAUSA-N 444.517 0.589 30 20 ICED COc1cccc(/C=C(/C(=O)NS(=O)(=O)c2cncc(C#N)c2)n2nnnc2C)c1 813982345 WVIAWXSMKBWHBS-IUXPMGMMSA-N 425.430 0.760 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)ccc1F 914657720 UIKBYJFSGCWQCP-CYBMUJFWSA-N 441.481 0.526 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 917930944 NETLCQFWHMCCDN-ZFWWWQNUSA-N 442.515 0.488 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1288170034 MESAXHJYTGQVOG-KRWDZBQOSA-N 446.533 0.760 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1499308243 SUVOSQLECMFPJR-SFHVURJKSA-N 437.504 0.780 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1503289741 DWGAFMXEMQRZHJ-WQIZZMQYSA-N 437.547 0.846 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504520386 ZLEHRPXUMWTJIW-BPQIPLTHSA-N 431.541 0.644 30 20 ICED N#Cc1ccc(NCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 1540833548 RJQMSUPDJMPDCI-UHFFFAOYSA-N 429.506 0.028 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1CCCO 1611677094 IWWAMZQJYAXYNL-DOTOQJQBSA-N 439.586 0.475 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1618502792 XBFDFEQEHYQJSY-UHFFFAOYSA-N 433.538 0.574 30 20 ICED CCOC(=O)C1=C(CN(CCC#N)CCN2CCOCC2)NC(=O)N[C@H]1c1ccco1 1657466892 QBWNGEWBNMETHW-IBGZPJMESA-N 431.493 0.999 30 20 ICED CC(C)(C)OC(=O)N1CCOC2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1671848306 RGGDPKRHKYKMRU-HNNXBMFYSA-N 430.527 0.557 30 20 ICED CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706631691 BUWLOVYMZRKSRY-KRWDZBQOSA-N 428.541 0.605 30 20 ICED CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1723119717 YVNNHVNCOSOURL-HOTGVXAUSA-N 438.554 0.776 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1731011732 IVIGDECROAPGKB-PBFPGSCMSA-N 425.490 0.095 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1740736982 VSSRMNVEHDAXBK-UHFFFAOYSA-N 442.362 0.583 30 20 ICED CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1750199206 ODNFOJMBEYVARH-SJORKVTESA-N 444.517 0.551 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1760301069 RCSHVHCIRMNAIY-QWRGUYRKSA-N 435.348 0.512 30 20 ICED CN1CCc2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)ccc21 1778646066 KMTKIISXGRUOSP-AUSIDOKSSA-N 425.485 0.894 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1778970734 FBWBXDZHBWURDW-AOMKIAJQSA-N 441.488 0.106 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)CC2)CC1 1781107009 FILBBQGPCUPQLY-DEOSSOPVSA-N 436.556 0.648 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301268 TWLGZQWMBDSJEA-UGKGYDQZSA-N 446.479 0.221 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c(Cl)c1 1781967446 CMNGEZOANUHRJM-OXJNMPFZSA-N 433.896 0.248 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)n(C)n3)C[C@@H]21 1783528353 QPWBTTNHJNQBML-OIMABFAESA-N 429.521 0.109 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1783564756 GBSOHZNMANYUKM-ADLMAVQZSA-N 440.378 0.061 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)c1ccc(O)cc1 1784010283 UERFAXQJARZTTL-MBSDFSHPSA-N 427.501 0.807 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1784038598 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0.230 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831396870 RZTKOPDTBCSAAI-VGOFRKELSA-N 441.488 0.146 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831403985 GNGDZSPFNZSQCM-OAQYLSRUSA-N 441.594 0.474 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831497185 ACMCGXYGDOMIOW-YWZLYKJASA-N 430.567 0.987 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4COc5ccccc5O4)CCO3)C2)CCC1 1832502987 XPCUMDQFMGXMKL-XXBNENTESA-N 441.484 0.977 30 20 ICED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1832819668 NTWKCQJFLGRZHT-HSZRJFAPSA-N 427.501 0.893 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120474 IDIPIMUIKKKFNK-FFCJBUTOSA-N 427.461 0.188 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1833705260 WLQIXBDZVGAZMK-KRWDZBQOSA-N 425.599 0.924 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834635095 RFTQUQIBNSYKCK-LJQANCHMSA-N 436.597 0.871 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765208 AXYPYSSBANRPRZ-QVKFZJNVSA-N 432.452 0.314 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835129283 KPFLYWJTEPHGAR-LJQANCHMSA-N 436.597 0.903 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CC1 1835338553 LDDDLWAIRNZOMW-GAJHUEQPSA-N 444.532 0.538 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680082 DSRHXZBUFMKYFO-LAUBAEHRSA-N 437.541 0.526 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1836380783 GDAAWSOCESEENO-FQEVSTJZSA-N 437.518 0.272 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836449698 HQOOFOVRCUGAOU-VGOFRKELSA-N 443.504 0.601 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506288 XUZFUFRCVNINSZ-NZQKXSOJSA-N 428.533 0.601 30 20 ICED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837812800 QGYVZTYOFYIGBX-UHFFFAOYSA-N 433.549 0.772 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949716 TUYOKINKBQYJLU-VBKZILBWSA-N 449.464 0.046 30 20 ICED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023094 NVCMTSDPMFISDN-UHFFFAOYSA-N 441.492 0.228 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc4ncccn34)CC2)CC1 1838242166 QRYPDIGJNQOHIZ-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426215 RTHMCYFJFLYEGR-GCJKJVERSA-N 443.504 0.372 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1839175691 ZFBSKAFWIAPHAS-QFIPXVFZSA-N 432.473 0.972 30 20 ICED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)C1 1839189699 ZODJBICFWJGORL-QFIPXVFZSA-N 430.480 0.258 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)n1 1839361999 RZJNMLFSZCQFMZ-QFIPXVFZSA-N 439.472 0.757 30 20 ICED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487929 MKGGIPKQFAPDFN-OAQYLSRUSA-N 427.461 0.541 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839890782 SYIWYONCBCODRX-GOSISDBHSA-N 426.420 0.523 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)C2)C1 1840042886 UNMCNOBYSITZNI-OAQYLSRUSA-N 447.394 0.604 30 20 ICED CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840130766 UURNJLGUMKTURD-WZONZLPQSA-N 434.533 0.757 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccccc3)C2)C1 1840157625 VYXPUKZKABTRRA-HLBDPABLSA-N 447.557 0.634 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1840842625 QMRXHVRHJUMDBV-HSZRJFAPSA-N 427.501 0.886 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235050 RACYTUWGXBZVIA-UHFFFAOYSA-N 441.568 0.681 30 20 ICED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)c1ccccc1 1845809921 JTYBLWPJYVCZBL-GOSISDBHSA-N 425.485 0.930 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1847071542 IJRACIOIDLIWLD-HOTGVXAUSA-N 432.521 0.727 30 20 ICED CCOc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(=O)(=O)N1CCCC1 14221766 GUOKUBIDVWUNMN-UHFFFAOYSA-N 433.490 0.882 30 20 ICED CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)S(=O)(=O)c1cccc(C#N)c1 20629053 NXVQMZQWVSQNJO-UHFFFAOYSA-N 435.550 0.238 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c2)CC1 26275272 HWBKIGDFMSPPFT-UHFFFAOYSA-N 427.446 0.258 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 409492664 FKJGTCJTRXZWEF-UHFFFAOYSA-N 434.515 0.239 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 409532304 DJKZMQFFAZDCJF-MRXNPFEDSA-N 428.536 0.420 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNS(=O)(=O)c2cccs2)cc1 437339992 WNXLDASGUSSIJX-UHFFFAOYSA-N 427.529 0.629 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 441554048 VSXVBHCZCIOKNP-UHFFFAOYSA-N 427.548 0.837 30 20 ICED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465405433 NZPAFXKRIXLROM-LBPRGKRZSA-N 425.405 0.941 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 465419129 VSNZBUIPOLQILB-NSHDSACASA-N 427.852 0.776 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479365359 NXHSUABDILOQJI-HNNXBMFYSA-N 428.514 0.522 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1cccnc1 479382719 BSIOFGALHQKEOZ-UHFFFAOYSA-N 449.536 0.980 30 20 ICED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C1 487711864 VSBMBLHJGOCIJG-UYAOXDASSA-N 434.500 0.984 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)nc1 488950104 JNFFMNJVYDXHHE-OAHLLOKOSA-N 425.536 0.495 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)COC)CC1 508499223 YGSIGLDKPRVUSW-UHFFFAOYSA-N 448.549 0.676 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508809184 KJJVRJNXMDBDBF-UHFFFAOYSA-N 448.487 0.899 30 20 ICED C[C@]1(C[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)NC(=O)NC1=O 519591063 JMLZKMFXTABVKS-AUUYWEPGSA-N 433.490 0.471 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 523411881 OTJSLLIPIBJDIS-UHFFFAOYSA-N 446.451 0.742 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC3=Nc4ccccc4S(=O)(=O)N3)CC2)cc1 533343396 GNBYVMLCQNGNDH-UHFFFAOYSA-N 445.526 0.887 30 20 ICED Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)n1 542075709 VHIZCJWNEZEVTR-UHFFFAOYSA-N 438.423 0.857 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 542292633 BUGNERYMEYSKJI-HNNXBMFYSA-N 440.460 0.486 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1=O 552510164 ZTZLEDHCXBSXJG-IBGZPJMESA-N 444.532 0.259 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 557445751 CYOAJFNXSLYXDC-CTNGQTDRSA-N 425.533 0.966 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2=O)cc1 559764087 SYFUATGIUZOKFV-GOSISDBHSA-N 434.456 0.111 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)cc1[C@]1(C)NC(=O)NC1=O 560059196 FFRQAXCWFVMGPX-FQEVSTJZSA-N 442.453 0.783 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561120777 IKRRMYUULAZCJA-HXUWFJFHSA-N 441.532 0.787 30 20 ICED CN(CC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 565437851 MCMBKZRHGLWMHE-KRWDZBQOSA-N 433.534 0.975 30 20 ICED CN(CCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 581138473 QQGRQVKBZAFIHZ-QGZVFWFLSA-N 431.512 0.697 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159903 OFSBXNLNAVZSBX-GOSISDBHSA-N 446.511 0.701 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 588812495 GRFDCCOFXPKGQB-LJQANCHMSA-N 427.549 0.820 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828316 OBIOGVRNLUDKLG-UHFFFAOYSA-N 448.504 0.264 30 20 ICED N#Cc1cccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 610853345 DTJOMJIDKRVKRC-INIZCTEOSA-N 444.469 0.881 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(=O)N(C)C 618639190 PVSHQKRKAYAEPQ-UHFFFAOYSA-N 438.962 0.741 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 726042499 CNWFAYKJVHRTLJ-OLZOCXBDSA-N 445.428 0.544 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O 726042696 MGKFJHQUTYIICP-UHFFFAOYSA-N 427.369 0.771 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCOC)C1=O 726403563 LBJIDUAJTMRTJU-SHUBJWRZSA-N 428.536 0.307 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2ccc(C#N)cn2)C1 728208409 IPEKXSUWHZOQHV-INIZCTEOSA-N 431.522 0.922 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC(F)F)cc3)c2=O)cn1 732562521 DWVYFCDEUSUHDL-UHFFFAOYSA-N 445.451 0.966 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742633125 BMLCIRXJHAFCAO-MRXNPFEDSA-N 447.561 0.270 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 743725185 HPDAVABKZRQXOA-HNNXBMFYSA-N 445.541 0.357 30 20 ICED COc1ccc(N2CCN(CCNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 746175779 XDBHDCRUKMXAKC-DQRAZIAOSA-N 427.505 0.850 30 20 ICED CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 749692022 OVCORWFZRWYGAM-WSRQSJKRSA-N 449.533 0.563 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)[C@H](C#N)C1 755549632 TYRGGOKRFFVEKS-UKRRQHHQSA-N 448.501 0.830 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(Cc2cccs2)C1=O 756875710 JVNSPZZRWUMUEJ-ZDUSSCGKSA-N 425.474 0.869 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 758049979 MBIRHLYDWZJYPG-UHFFFAOYSA-N 437.521 0.522 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(CCOC)c2)c1=O 758061392 DZWHSINJFJILQU-UHFFFAOYSA-N 447.520 0.552 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccncc2)c1=O 758071903 QGURQCAUZZEGPR-UHFFFAOYSA-N 432.427 0.994 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3cccnc3)c2=O)c1 763460362 JNRNMPFOIHDXAV-UHFFFAOYSA-N 449.536 0.248 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1ccccn1 763460645 LICROXBQRACTKC-UHFFFAOYSA-N 437.525 0.152 30 20 ICED COCCN(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 768033865 GBDHIACBIHHRIQ-UHFFFAOYSA-N 440.522 0.725 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 776138114 XGDHDFGKJASHSE-UHFFFAOYSA-N 438.531 0.843 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)[nH]3)CC2)cc1 786093275 VOAWBLNIYAYRCL-UHFFFAOYSA-N 446.485 0.975 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C(C)C)c2)c1=O 794582974 WAQPKELOZZNLKF-MRXNPFEDSA-N 430.530 0.832 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 804183022 LSEBGNWFVJTLKW-UHFFFAOYSA-N 433.513 0.232 30 20 ICED COCCOCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 808961844 FZGSBCYFOUQFDT-FXBPSFAMSA-N 440.522 0.559 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809502279 GVQZSRIZHZSWSA-JHNDHUHGSA-N 429.429 0.135 30 20 ICED COC(=O)c1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 818801536 BGUNIXSABCGXIE-UHFFFAOYSA-N 431.470 0.879 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 915785903 VFCJWPBKLUPZAC-UHFFFAOYSA-N 442.501 0.905 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CCO2 1195585213 SSWJMCFEVFTYPX-HNNXBMFYSA-N 430.527 0.557 30 20 ICED CCN(CC)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1251440309 LDUZFIDCSRACBB-CQSZACIVSA-N 430.552 0.843 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1301952670 LUCWKPVRHHQAHT-QWHCGFSZSA-N 432.572 0.451 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1305526172 ZNPWNZQRBSWFTM-OAHLLOKOSA-N 432.554 0.934 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503300389 RSWBLFLDEBVYIO-MKTHODDLSA-N 442.549 0.591 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1517514405 MTFMIZWYCKYKBC-MRXNPFEDSA-N 446.533 0.736 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1643304551 UKQBLHYIPRNZMZ-UHFFFAOYSA-N 434.518 0.506 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1692769614 SKRXSSDXDLWVGL-ZDUSSCGKSA-N 440.551 0.441 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1729308475 IPHLTZJGHVFAFG-MRXNPFEDSA-N 445.549 0.671 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)CC1 1761546870 KKJOQWQECOZDAP-HOTGVXAUSA-N 438.554 0.920 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1770310832 YWVOWJOOTCZUHH-HNNXBMFYSA-N 441.579 0.887 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c(O)n1 1777998505 PHULFGVMVRADOR-NJNPRVFISA-N 431.537 0.319 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1781791715 IWPSOUCNURCDSF-IBGZPJMESA-N 438.406 0.875 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783337201 NGMXVFAXMKRASO-AADRGNLSSA-N 427.501 0.278 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1784484450 CRKGYZDQNUJDPW-KKIHXHGMSA-N 443.500 0.470 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)n(C(C)C)n3)[C@H]2C1 1785715069 INBBNNMQOGGPPP-FPXQBCRKSA-N 446.504 0.794 30 20 ICED NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1789091089 HSALQPMEBSHTHQ-BZSNNMDCSA-N 433.468 0.221 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789135508 OGUAWGULRRPIJO-JKQORVJESA-N 444.513 0.388 30 20 ICED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1795089482 WQYIBHOSLRDNQM-MMXJWNFTSA-N 441.484 0.818 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795677816 MXDHVYYAQPSOLL-DMUMMCEESA-N 428.537 0.343 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796324826 CZWSUFBFUNPIAX-WOZUAGRISA-N 439.560 0.572 30 20 ICED C#CCCC(=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 1797120177 GGCXSWCJNTUKGN-STEXWYFWSA-N 449.548 0.607 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@](C)(O)CC(=O)O)C3)c1 1798579789 RIAREXKWMZODCR-IALVJMBCSA-N 445.472 0.386 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799334287 SETONSOBTRDJQW-MKOKDDGESA-N 443.566 0.578 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746618 GFUYIIKWSSVUTG-LJGDNWOOSA-N 431.468 0.608 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)cc1 1801142586 PGHJBTVTUBAFNN-KBMWQNTOSA-N 428.485 0.644 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)ccc21 1801980071 BMDDPGRVSQNLOV-HGKCTWBKSA-N 437.500 0.774 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1803296003 FQMDCJUKWOFADR-YRYWAHFMSA-N 434.500 0.979 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803450790 QUHIOAVXGCPTNR-JXFKEZNVSA-N 431.456 0.546 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803570874 JCHANGSUSASYKF-LDBYXDLTSA-N 426.473 0.604 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284575 PWHUYYRPOVMIFQ-QGGRXXHISA-N 435.550 0.604 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)CC1 1814465046 WRBCYGCBQHLHHD-LBPRGKRZSA-N 437.547 0.089 30 20 ICED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)[C@H]1SC(=N)NC1=O 1818101755 ZDZYDDLFXMWUGN-CCUNJIBTSA-N 432.462 0.292 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824967260 GCRHYCGBFFJUQP-JTGQJZMRSA-N 445.520 0.016 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1829783856 XLJHLHOTDQNGEJ-PGRDOPGGSA-N 439.553 0.586 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243643 UBWDZWJFIBJSLY-SBUREZEXSA-N 448.516 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccc(C)n3)C2)C1 1831386629 BLBOLKGHJOJUNQ-GPEVBYCZSA-N 427.501 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3OC)C2)C1 1831402675 OPOUYZACSFLLPJ-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831451036 CVDOHFKNNKNRFE-PXNSSMCTSA-N 446.566 0.106 30 20 ICED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)cc1 1833041456 WCHUIMUDSNIDEF-UHFFFAOYSA-N 440.548 0.731 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834677662 IEQICHFMSREPDX-UHFFFAOYSA-N 425.537 0.535 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1834755794 CTFMDISQBXERRG-SFHVURJKSA-N 437.294 0.757 30 20 ICED COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835340619 CFZMPHDNWZFVJM-JOCHJYFZSA-N 428.489 0.783 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1835732120 PEXQWTPDPPBBGD-JJIBRWJFSA-N 442.564 0.977 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666118 RBQZJTMVHDIOFA-HSZRJFAPSA-N 436.597 0.683 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837397162 RQTGYYIVYBVFTI-GCJKJVERSA-N 444.488 0.866 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837398822 KAESZZLONYEBTL-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837399189 NWHGOHDLLPNJPH-PGRDOPGGSA-N 432.521 0.472 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443340 FQEFGWOXTMIZOS-XZEIMLRBSA-N 449.508 0.363 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488733 NWCXBIQZTRJRED-HSZRJFAPSA-N 429.517 0.794 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837670390 FESWRKJEZSLQFW-GCJKJVERSA-N 439.553 0.730 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnc4)C3)C2)c1 1838732532 VENJDTBSJJHZGQ-OAQYLSRUSA-N 425.445 0.430 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CN)c4ccccc4)C3)C2)c1 1838735877 ABTSAPKEYCUMCQ-AUSIDOKSSA-N 437.500 0.699 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1839174327 TXTPQSJPBRWPOK-OAQYLSRUSA-N 435.452 0.800 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839641339 FNUZEIWJHOAJLZ-AUSIDOKSSA-N 435.565 0.482 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839890129 JHZAHBGRLVDBIV-LJQANCHMSA-N 440.447 0.783 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)C1 1840039796 HWGXJASAZYRQRQ-HXUWFJFHSA-N 438.839 0.566 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)C1 1840042896 UWJXMTSSAYHDPH-OAQYLSRUSA-N 429.404 0.465 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840173094 BLEJGSXTLKZNTQ-IIBYNOLFSA-N 441.525 0.559 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)c1ccc(O)cc1 1840220182 BMGTYVBCTNZPHF-HFJQGTKSSA-N 430.501 0.726 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840428520 NQYHBGNPCMQZNK-JTSKRJEESA-N 428.489 0.999 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1845187738 NHTBXERGZLSAOC-UHFFFAOYSA-N 449.529 0.953 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 62148803 ZMCUAOLJSRWGPT-UHFFFAOYSA-N 430.486 0.847 30 20 ICED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 106002761 DYEMWXBOQZELFE-UHFFFAOYSA-N 429.502 0.724 30 20 ICED C[C@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409585112 ZMHHKUMWIFSXSO-WBVHZDCISA-N 432.506 0.884 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC[C@@H](NS(=O)(=O)c1cccnc1C#N)C1CC1 428243089 NFTACVWVCWXIMI-OAHLLOKOSA-N 432.487 0.255 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 434911651 DNKMIJQLIBHIOE-UHFFFAOYSA-N 448.505 0.715 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)CC1 437160456 MUWYIDVNJOPKGA-UHFFFAOYSA-N 429.493 0.769 30 20 ICED C=C(C)CN(CC)C(=O)C[S@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 437187786 ZFXRQZFPFJIZQE-HHHXNRCGSA-N 425.536 0.739 30 20 ICED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 439562153 QYCDXBGSVWIZBM-CQSZACIVSA-N 437.522 0.520 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1=O 440277325 OTNSQYIBCOIKDS-CYBMUJFWSA-N 436.394 1.470 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCOC1 441929747 ISPGSEYDCDEHPY-OAHLLOKOSA-N 443.525 0.221 30 20 ICED Cc1cccc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C#N 443113522 CWLWLPBIURUQLJ-UHFFFAOYSA-N 428.536 0.186 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 444504022 GMNKIOWERZYEHI-UHFFFAOYSA-N 448.480 0.798 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 445070200 JNIJEIGCROGQHS-LBPRGKRZSA-N 426.394 0.538 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 460663983 VSVMLRAHJHEOTE-KRWDZBQOSA-N 444.455 1.093 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 472049619 SAHJMLRGMUPWPJ-AWEZNQCLSA-N 427.431 0.985 30 20 ICED N#C[C@@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCc2ccccc2C1 472269264 UYJCFGTWNXQOIM-JOCHJYFZSA-N 438.509 0.988 30 20 ICED COC[C@@](C)(C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 474144617 KMNSXGQKUJARMX-HXUWFJFHSA-N 449.533 0.572 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccon1 480950143 HTQGBCLNKKMTEH-ZDUSSCGKSA-N 444.538 0.970 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 482392627 VGJWBPICNXXYDA-CJNGLKHVSA-N 430.490 0.270 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489422768 NJIYUNUHZDAYSI-JKSUJKDBSA-N 436.534 0.565 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)cn1 491106180 OYZPIASAWBYWHL-QGZVFWFLSA-N 433.476 0.655 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 491246073 BPZGTAMXUQATJN-UHFFFAOYSA-N 441.532 0.582 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc2)c1N 500814130 WHAKXIPRWHTPJG-GOSISDBHSA-N 444.517 0.593 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 502052645 UTBDESAMZKEVLK-UHFFFAOYSA-N 443.554 0.809 30 20 ICED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508813047 NCTWZNJFAWQHGV-UHFFFAOYSA-N 435.488 0.510 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 508839054 BUDRNKBUHREGJP-OAHLLOKOSA-N 431.522 0.595 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 509410113 JGZQHCALYGMRBN-AWEZNQCLSA-N 444.535 0.243 30 20 ICED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@]12C(=O)Nc1ccccc12 514017118 DSCGNPOXFGOKRT-YJYMSZOUSA-N 444.473 0.149 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)ccc1OCC(F)(F)F 518135787 NPCDSUXHDIRCOH-UHFFFAOYSA-N 428.367 0.836 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOCC 523476727 GGHGZYQOFUKNAQ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 549121023 UESHVWUPDVIGJT-UHFFFAOYSA-N 426.458 0.990 30 20 ICED CNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 550726710 GOXJLSKJKGDWMZ-IBGZPJMESA-N 433.468 0.846 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 553807846 DWLJHISHZLHGEQ-SJORKVTESA-N 431.468 0.146 30 20 ICED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)CC2)c1=O 555968865 GYQXLVQRHRKTFR-UHFFFAOYSA-N 445.277 0.702 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 558979159 LERGUDUABIFGQR-GOSISDBHSA-N 445.568 0.460 30 20 ICED N#Cc1cc([N+](=O)[O-])c(NCCN2C(=O)CCC2=O)cc1NCCN1C(=O)CCC1=O 561196900 XCPNWDVZCGILKQ-UHFFFAOYSA-N 428.405 0.588 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 563664238 VFYWXUMIKIFLTL-UHFFFAOYSA-N 437.548 1.078 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1C#N 565453259 VZFTYTYYDSHZBW-UHFFFAOYSA-N 427.412 1.369 30 20 ICED CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 575033731 DQNWIZRDVCLECT-WMZOPIPTSA-N 448.524 0.641 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1CN1CCCC1=O 576008111 JTNQFLBNYUJQKU-UHFFFAOYSA-N 437.504 0.693 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(Br)cs2)CC1 581003431 WPHCAEJBTXDJKM-UHFFFAOYSA-N 429.340 0.573 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1C#N 589439857 DMVRMXMZUFMJAV-UHFFFAOYSA-N 437.522 0.625 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603793745 ZGUZNNMKSIRQJY-UHFFFAOYSA-N 428.470 0.660 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccco2)c1=O 603795587 AOBJUAQYEQXFSZ-UHFFFAOYSA-N 430.530 0.110 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911266 XBKZNFOWUYZPPP-UHFFFAOYSA-N 439.324 0.731 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 614258458 CBQKZGHYPHEFQB-KGLIPLIRSA-N 430.494 0.647 30 20 ICED C[C@@H](NC(=O)c1cccs1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1cccs1 680339114 BJVHSWBWZOCSSO-ZIAGYGMSSA-N 446.554 0.982 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 731125548 AHIGXIFUWXVRRX-UHFFFAOYSA-N 446.485 0.775 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC1 733364821 OUDBNBATIJJKLD-UHFFFAOYSA-N 442.541 0.931 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1=O 735350095 URUVPSXZJQAUJK-UHFFFAOYSA-N 432.345 0.413 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742555303 YOQSOGVXJWDMAF-HNNXBMFYSA-N 441.513 0.883 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)cc1 748986263 KLPDBUSPIOUZBB-XLNRJJMWSA-N 447.517 0.271 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 758109544 ZJODVYOYZGPKIB-MRXNPFEDSA-N 429.546 0.632 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 761038695 REJKQSWAVVYLJJ-UHFFFAOYSA-N 430.477 0.032 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)CC1 764252512 GVNZBUKBIIHXQQ-OAHLLOKOSA-N 448.545 0.690 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766051753 JWGGBBBLOKJVPK-UHFFFAOYSA-N 431.430 0.683 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCCO1 775785936 SUCIPWLNLGNCAA-QZTJIDSGSA-N 436.490 0.198 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)CO)c1 797377807 QWKXSSAMFDWDKN-ODENVGOISA-N 440.522 0.078 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804019850 UVMRUIHRCSSUFQ-IAGOWNOFSA-N 427.461 0.122 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)NC(=O)NCC 804944472 QVUOTXGSOZIKLT-ZSEKCTLFSA-N 428.445 0.929 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806764769 JRWULVQHWIMKCX-YOEHRIQHSA-N 443.504 0.805 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 810165857 FKRSBSNVMJEUSE-CYVLTUHYSA-N 431.540 0.512 30 20 ICED C#CCCS(=O)(=O)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 810783746 CQQXNJURBMVHMD-HXUWFJFHSA-N 439.493 0.969 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)o1 915377538 PCGLDUKYZNLEKD-HNNXBMFYSA-N 429.477 0.838 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)ccc1F 1116373471 GVPWRBDBQYHJAT-CQSZACIVSA-N 443.500 0.876 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1286536988 UYGRDSBTRBNDAF-STQMWFEESA-N 449.375 0.318 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286630002 PFQPSJYOCUCAIV-TZMCWYRMSA-N 428.946 0.973 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1299074085 KZZXAFSQQDCWCD-MRXNPFEDSA-N 431.522 0.328 30 20 ICED CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302540293 FLXWJPHAOUVREY-VNHYZAJKSA-N 427.600 0.816 30 20 ICED COc1ccc([C@@H](CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)N2CCCCC2)cc1 1307286023 QUDUBYZTTAYHMJ-LJQANCHMSA-N 425.489 0.771 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505324272 MFCLVPWOFCOACP-IBGZPJMESA-N 433.472 0.905 30 20 ICED CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1517272778 QSLCEEPXSTXXRU-UHFFFAOYSA-N 426.506 0.835 30 20 ICED C[C@@H](CC(=O)N1CC(CNC(=O)C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1588126459 QAJPXALYZOAEJG-JTQLQIEISA-N 432.424 0.641 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 1656675507 UJBYIOGGWTUQPG-UHFFFAOYSA-N 427.486 0.137 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1764581010 KHZCTZMEUSQRLG-QGZVFWFLSA-N 441.492 0.206 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1778821046 NSQINPSHZQLLNX-VCTXJGENSA-N 429.539 0.504 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1778975247 XJVNBNGGRYCWLW-RDPSFJRHSA-N 442.560 0.786 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(=O)[nH]c1C 1779015694 BKWRNDAUTRQULH-MHRHTVJOSA-N 430.509 0.302 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781856044 VRDTVRRKIMDKMW-XXBNENTESA-N 443.500 0.711 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782206679 VVKWRFMUWWVJKX-IMAQQZIHSA-N 441.525 0.917 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783909041 NNTNZJFRPWPVFR-STSQHVNTSA-N 449.548 0.990 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937710 YPXDOIMFUIBFEW-ULQDDVLXSA-N 428.493 0.700 30 20 ICED O=C(CCc1ncc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791480741 DQNBYVGOTZHBID-ALNZPZHCSA-N 433.509 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793630254 GFGSQPSFEJLHCG-DFBDCSAJSA-N 435.521 0.624 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)nc1 1794427443 HBMMADXCRKQPNW-XOIINTDNSA-N 432.502 0.382 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC 1795597334 QNRYJOHZZJXXKO-SFNKJDCFSA-N 436.553 0.492 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600774 HSTVSZVKTOJNLV-SCAQPMJSSA-N 437.541 0.383 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)c1ccccc1 1795632334 IZKLTXLLEPZFDC-XCRACJGTSA-N 440.544 0.366 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc2cn[nH]c2cn1 1797580678 UBHPHLMQDMOFKL-VZTDJHLFSA-N 442.476 0.690 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c1 1798574034 HJKCNTNYBBOYJL-UPHUGPLXSA-N 426.473 0.392 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799188265 ZWPCLAGMLZQCFN-FYVVFRBKSA-N 436.472 0.200 30 20 ICED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799395560 FWRVICJMVMFNLE-FTEYMNFISA-N 443.541 0.447 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCc3cn[nH]c3)C4)c2c1 1799883413 HFLPIAKYIGAADX-CWPLJXCYSA-N 433.472 0.994 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)C2 1800454998 YJYLBVHBQOXIPN-NQKDJWEYSA-N 447.532 0.624 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1802022636 CWIAYPGPBZPSPP-RCJHGTSTSA-N 433.505 0.916 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803566527 LQKBKVLWYNPZGN-BOFXEDATSA-N 432.521 0.329 30 20 ICED C=CCC(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806901301 KRJYUJBDMGZQHR-UHFFFAOYSA-N 442.520 0.241 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807043058 IXGGKLXETIZNPY-QTEQDKRBSA-N 433.512 0.732 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@@H]1c1cccnc1 1807958246 UZRRQVMRSYZCDN-XSYGEPLQSA-N 442.516 0.948 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1809770863 BEWBGMXANSZACZ-UHFFFAOYSA-N 432.525 0.051 30 20 ICED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812671537 GUBUQSSFHYANFD-GDBMZVCRSA-N 438.431 0.842 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)/C=C(/C)C(=O)O)[C@@H]1c1cccnc1 1814090197 XLWXGTGFFGMVIX-DIWLPVGLSA-N 426.473 0.977 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1815197065 FQRKNJVYYZRAPZ-SWLSCSKDSA-N 438.448 0.485 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1820966156 DQXQYWJYSRUMDS-JSGCOSHPSA-N 433.469 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826210954 UTYVWVOMMRQLRT-IBPBTGAJSA-N 431.518 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)CC1 1828800962 KAGSOODMYSESLY-NBEHIINDSA-N 443.552 0.798 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1829763809 CCRHTCJYGPJJPE-YOXWTLATSA-N 432.452 0.149 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831336889 HNSXNUAIMWYDDS-YLJYHZDGSA-N 428.551 0.646 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831478035 KCPUCQYZPPCSJX-MGPUTAFESA-N 426.514 0.158 30 20 ICED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831483063 RRNSWSVMIRYUGO-IBGZPJMESA-N 427.611 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831483835 PBUKLULGWYACLW-CFPAGDMOSA-N 425.551 0.256 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1832446933 MRTQHSYGYWMBTA-HXUWFJFHSA-N 427.567 0.524 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833503921 OAOYXPCTCQIKLF-QHCPKHFHSA-N 436.468 0.607 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1834763542 NQPRNYUCHCAOSL-JOCHJYFZSA-N 444.488 0.623 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354859 HDCMQLLIJPMLLU-REWPJTCUSA-N 426.517 0.803 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835681876 VDOMFUFIGUWYCU-QPPBQGQZSA-N 448.608 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837403413 MGEDPNVJZDKXMT-PGRDOPGGSA-N 443.504 0.601 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)CCO2 1838459534 GUBXDUAFJCBZRR-QHCPKHFHSA-N 436.468 0.627 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)CCC1 1838510217 KQMAYIXAUOLSHE-UHFFFAOYSA-N 440.504 0.882 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@]4(C)CCCN4)C3)C2)c1 1838584831 IQOCMYJONHHBRF-PKTZIBPZSA-N 442.516 0.779 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1 1838640938 FSMYDVCYDCHGLL-NRFANRHFSA-N 441.419 0.164 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452051 DQSCWDOSHIXHAT-GAJHUEQPSA-N 442.516 0.804 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c1 1839453904 JLFNGTHNRFYMGR-HTAPYJJXSA-N 438.488 0.789 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839681248 IUYWYOIUJXFCMZ-CLCXKQKWSA-N 432.539 0.959 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038188 MKVHCGCJVHXUJM-GYISASMLSA-N 445.541 0.671 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840164204 BTSRYDZBEKSBFC-ASKKUZCQSA-N 428.551 0.741 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840242358 QKWVMASKXVCRSC-CRWHYEHDSA-N 429.876 0.226 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cc3OC)CCO2)C1 1840639574 ZJTNEEBBMVYMFB-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812210 FYPNTZCEICBVRK-LJQANCHMSA-N 425.507 0.043 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814312 ASIBCDHSRMQBGN-IERDGZPVSA-N 428.493 0.427 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840843217 BLLDHLJYVFIVHG-GAJHUEQPSA-N 445.491 0.814 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840956162 GXZSXNALONKOOJ-FQEVSTJZSA-N 436.509 0.804 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1841745112 BNFLMAZFERUALF-OAHLLOKOSA-N 437.541 0.930 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)cc(C(F)(F)F)c1 1842946842 HDMYRMFFBNASPS-HNNXBMFYSA-N 437.422 0.987 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 29448261 BNTOFMSXXOHHCT-QGZVFWFLSA-N 443.533 0.579 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 108593584 FBDACJKDLYGWLX-UHFFFAOYSA-N 437.500 0.926 30 20 ICED N#CCN1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 427806696 HUUZHLFTUWZOOI-UHFFFAOYSA-N 426.564 0.985 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCOC1 441939468 XYCCZEVGEAWSQY-OAHLLOKOSA-N 440.481 0.660 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccon3)CC2)cc1 442372537 DCQXAISRJQGIGU-UHFFFAOYSA-N 447.517 0.764 30 20 ICED COCCCS(=O)(=O)Cc1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1 445849990 TWAKTHWKORBGFL-UHFFFAOYSA-N 428.492 0.880 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 463682713 FTQIHOWYGLARLU-UHFFFAOYSA-N 430.490 0.374 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 465508188 JOQYZPYFEDSOQP-ZDUSSCGKSA-N 425.478 0.438 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1[N+](=O)[O-] 471613515 QTMUALRTAUZWBE-UHFFFAOYSA-N 429.418 0.954 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 471811587 SCCFGYBITBRLTO-DLBZAZTESA-N 433.534 0.240 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)CC2)c1C#N 472758158 WUXDPYCJPIFQQN-UHFFFAOYSA-N 449.519 0.640 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O 474951034 YBISKQJDGDJSKX-CYBMUJFWSA-N 443.378 0.880 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 482457627 SZNZPOYPVWYOCH-TZMCWYRMSA-N 437.503 0.420 30 20 ICED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 484573115 IAHYTHQGTBJRDS-UHFFFAOYSA-N 441.550 0.671 30 20 ICED COC(=O)C1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 487686708 TXVIMKDVMJHUQJ-OAHLLOKOSA-N 436.534 0.616 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501261358 WXOKRZXUJLYSHY-UHFFFAOYSA-N 443.525 0.317 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)o2)cc1 502736009 DXFWDFKXDNKTAO-OALUTQOASA-N 445.497 0.958 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 509447846 LPWSOBJTIJZZRR-CYBMUJFWSA-N 431.496 0.380 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 511592830 MOOAEXLEDNSVSD-ICSRJNTNSA-N 427.549 0.070 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 511935005 NJOJRMQIHKDOHZ-BETUJISGSA-N 441.535 0.056 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CC(N)=O 530721937 YMWZTPYTOMUGGG-LBPRGKRZSA-N 443.525 0.839 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)CC1 546802596 AKAFUIXEYGHSGJ-UHFFFAOYSA-N 427.505 0.371 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 553250027 KIVSJTNAUMQERK-GOSISDBHSA-N 429.565 0.678 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 554914744 VSDUENDZSMJLNP-HZPDHXFCSA-N 448.615 0.636 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 556389699 CLLVMDDSVBINIF-KRWDZBQOSA-N 446.467 0.446 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 589438581 FYUZJJTYYIRWSP-UHFFFAOYSA-N 426.458 0.941 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC(=O)NC)CC1 603882130 LLPVGMBGYBZBET-UHFFFAOYSA-N 439.310 0.988 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)nc1 604195876 YFVUXTUGCMZHLM-UHFFFAOYSA-N 431.474 0.530 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 609559677 QHQJRTXAONFFEY-QGZVFWFLSA-N 426.498 0.967 30 20 ICED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(CCC#N)CC1 611175191 YPQGEZBUUOWYCJ-KRWDZBQOSA-N 435.550 0.566 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2=O)cc1 619704730 ZAOYSHMLKUFQQX-LJQANCHMSA-N 441.513 0.947 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O 725767192 KGPDQNWJMOFLGR-QFIPXVFZSA-N 438.488 0.049 30 20 ICED N#Cc1ccc(SCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 728675277 AFEDIRWFAJXYBD-MRXNPFEDSA-N 437.543 0.525 30 20 ICED CCn1c(SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnc1-c1ccco1 732911157 YXRJVKBJNQFHJN-LBPRGKRZSA-N 437.503 0.616 30 20 ICED COCCOCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737232717 GJYQGSFWCJEVFS-XLNRJJMWSA-N 440.522 0.607 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742635936 AUPGHCHZJGIPCO-MRXNPFEDSA-N 449.577 0.516 30 20 ICED COCCn1cc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 743421117 OYKWGQSPRJVLKQ-UHFFFAOYSA-N 438.466 0.905 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 747993631 OBMCNLOQRYMDDR-UHFFFAOYSA-N 448.545 0.690 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1cccc(F)c1C#N 751401322 BQBGBHGJKZGGKL-UHFFFAOYSA-N 427.479 0.789 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 752339493 DPJUZJOUQZCWCA-AWEZNQCLSA-N 442.540 0.224 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 755552950 PZRBMYSKWOZDML-WFASDCNBSA-N 426.437 0.476 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C[C@H](C)O1 760329147 GCQJMDBGKLAEMZ-IRXDYDNUSA-N 436.534 0.630 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762977430 DUUHCRRSSLYHPJ-CYBMUJFWSA-N 428.470 0.189 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3(C#N)CCOCC3)CC2)cc1C 767398083 HDWAOVXDOYMMPN-UHFFFAOYSA-N 449.529 1.000 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 769634666 TVIUGCSUYNDNQM-UHFFFAOYSA-N 428.426 0.365 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3cccnc3)c2=O)cn1 772310717 BWCBDPSFUNZSRC-UHFFFAOYSA-N 446.536 0.970 30 20 ICED Cn1c(N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c(C#N)c(=O)n(C)c1=O 776828972 OKKTXZNNYXEAHT-AWEZNQCLSA-N 446.508 0.004 30 20 ICED CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)c1 781104046 JZVPKIUHMHZDJR-MRXNPFEDSA-N 433.534 0.585 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OC(F)(F)F)c1 783963304 DSXFUOQZAQVQEW-UHFFFAOYSA-N 449.414 0.780 30 20 ICED COCCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 785031541 FEBIJMUPOUSEQR-HEHNFIMWSA-N 438.506 0.312 30 20 ICED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)NC1(C#N)CCC1 787667187 DWTNRMOTXCJTEV-GFCCVEGCSA-N 426.520 0.860 30 20 ICED C#CCN1CCN(C(=O)c2cc(Br)c(C(=O)N3CCN(CC#C)CC3)o2)CC1 792173262 UVAYXJIECCLUST-UHFFFAOYSA-N 447.333 0.824 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 799257335 IVTJDRVTHDRMCU-OCCSQVGLSA-N 443.460 0.856 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 799284553 IULKLWJERQHIEO-ZWKOTPCHSA-N 429.473 0.683 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)cc1 802634303 ZHLSIPKDMWJEKG-IGCAKMCNSA-N 426.470 0.371 30 20 ICED CCN1CCO[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 805479340 NOYIYGYUUCFQCL-QGZVFWFLSA-N 443.460 0.719 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809308516 IMAPABWIHCZJDC-DLBZAZTESA-N 439.921 0.470 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC(=O)NCCC#N 825303910 XOGQCKQLAWQIPL-SFHVURJKSA-N 439.490 0.724 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)c1 916675935 JMHDWGYDFVWWQX-MRXNPFEDSA-N 427.548 0.532 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 917155927 NKWZNQYTCBDFNN-UHFFFAOYSA-N 446.515 0.564 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 918262542 RDNPXDUIDGFRAY-GBPUDXIESA-N 434.474 0.881 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 921163689 XHAOBGZWNDDKTE-UHFFFAOYSA-N 440.481 0.422 30 20 ICED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1144923933 YRUUHUYCGVVDJM-SJORKVTESA-N 435.502 0.341 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286620337 JQBXRIIIBRANJI-JQWIXIFHSA-N 431.906 0.910 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1313492964 UGBDLOJXMVNPJS-UHFFFAOYSA-N 445.549 0.815 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1340959310 HNDPCBLIAJNGPE-UHFFFAOYSA-N 435.481 0.768 30 20 ICED CCNS(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1468612998 KFKGOLJEVAHFPB-UHFFFAOYSA-N 431.522 0.719 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1492605748 LTYVOSADECCDKB-VQIMIIECSA-N 449.512 0.805 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 1492911738 PXTFOYKBQGIHRA-AWEZNQCLSA-N 425.497 0.245 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1505140504 WWRIPQAJLWPNFG-HOTGVXAUSA-N 435.554 0.641 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1541996934 UAHPMIDEVRCRJH-UWJYYQICSA-N 426.477 0.846 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1555557055 QTJIFTLXURGRCN-HXUWFJFHSA-N 449.533 0.870 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1596184794 UELYPZOUSZMWKM-FQEVSTJZSA-N 444.517 0.035 30 20 ICED CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1624439593 ZTUAYMOAEGYWHG-MRXNPFEDSA-N 425.507 0.817 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(c1nccn1C)c1nccn1C 1629669286 JKNJRYCJWOTCBC-ZDUSSCGKSA-N 427.490 0.598 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1643093896 LPWKMAAVPGAAQB-MRXNPFEDSA-N 441.579 0.912 30 20 ICED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651243531 ZPXAZRYNZMWWLI-HZPDHXFCSA-N 438.506 0.587 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728794717 LAAWOUSOQONZHN-SJORKVTESA-N 430.506 0.311 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863250 UKDWQJYLNDUMJS-CVEARBPZSA-N 429.525 0.854 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1752525530 NGXAZCMIXJBQPB-GXZWQRSESA-N 439.524 0.767 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778464907 AYBDFFIHNIBIPS-NRFANRHFSA-N 427.461 0.682 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779019513 ABUULIIKZUYCHY-IEJJDJDMSA-N 428.533 0.892 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CCC1 1779213620 MBTNVDGRMANIRP-TWKPZUECSA-N 426.473 0.976 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168262 GEMABBURQPCROO-OAQYLSRUSA-N 447.513 0.917 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1780344459 FLLBYCZYRPECNQ-DRSNIGMVSA-N 439.472 0.284 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5ccc(C#N)cc5)C4)C3)CC2)CC1 1780701950 UZDCBWOQQNCELE-QHCPKHFHSA-N 437.544 0.782 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1781245151 OGIFSVYIBLHINS-XIKOKIGWSA-N 439.394 0.550 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400855 YGUMGWQTAIUHDL-KLHJMIIUSA-N 448.524 0.088 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782717617 PYIMMLVUJRIICH-FRQCXROJSA-N 431.555 0.736 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(-c3ccccc3)ns1)CCO2 1783562093 BPFKOAGNOZIRTN-HXUWFJFHSA-N 426.454 0.737 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)CCO2 1783565811 QLDQIRGYWVIWCI-HXUWFJFHSA-N 430.848 0.677 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785572889 QISNBDKRYLIUJJ-QVKFZJNVSA-N 446.508 0.175 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1786367212 FGXFEVQVZBWHLU-XEZPLFJOSA-N 435.444 0.078 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790292331 CEXMBJRLEKQRFA-JDFRZJQESA-N 431.401 0.290 30 20 ICED C#CCCC(=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 1792173739 GRWDDVZHYJIOMA-VMXHOPILSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1OCC 1792378065 KKJQBCAGICGWEI-XJPXHFRYSA-N 428.489 0.542 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792775304 OVJLSFJQSVPDFS-CWPLJXCYSA-N 430.505 0.642 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1793372444 YAIDCRZTUJFUKS-LJGDNWOOSA-N 437.493 0.581 30 20 ICED COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)c1ccccc1 1795409304 APPWQECSTABKKT-XMTFNYHQSA-N 426.473 0.977 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1795598174 DZMQPXAGUIADQH-JLVBRIDZSA-N 447.561 0.349 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632310 HLCKGASTGBIVGD-AXVVYFOYSA-N 436.629 0.220 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CNCP(=O)(O)O)c2c1 1795966405 DSJQPYZZSHODRY-BTTYYORXSA-N 446.404 0.411 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2)C(F)(F)F 1800551313 SBPGYLHFJRAOIJ-XPCVCDNBSA-N 441.410 0.303 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1 1802500256 YIMSNTSCIDYSCL-WTVRISBWSA-N 437.504 0.628 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)c(O)n1 1802914814 NCGCVTIUMHENMG-CRAIPNDOSA-N 426.473 0.931 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803570870 JCHANGSUSASYKF-CEQIKUNHSA-N 426.473 0.604 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810090867 ULIBPOSJQDYFBZ-NWGLXNPWSA-N 432.477 0.190 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810250738 KIYHVFPOBRSXMG-MUGJNUQGSA-N 446.548 0.812 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]1c1cccnc1 1812874738 MKDVRXLMFCLQGH-FZMZJTMJSA-N 445.325 0.531 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2NC(=O)C3=O)[C@H]1c1cccnc1 1812881624 XKFNTMCMPZWSCP-VLIAUNLRSA-N 446.419 0.624 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1817321048 ZGUMZMZWIYQXEA-MRXNPFEDSA-N 440.508 0.941 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)C(=O)C(=O)O 1819480639 BXGVLADURXGJBB-SBUZPKSBSA-N 444.448 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](COC)NC(C)=O)n[nH]1 1819605142 IXUGZZXWVHHZKR-MGSINWNPSA-N 446.508 0.411 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)no1 1822200474 KJYYRNJOOWZOCE-ZDUSSCGKSA-N 428.405 0.815 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCNC(=O)C2)n[nH]1 1822476769 RXDZKTIUXSDQTB-HCDJPTGHSA-N 428.493 0.786 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825327721 OQVCERQQQVVCKE-INIZCTEOSA-N 443.529 0.527 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCN2C(=O)OCc1ccccc1 1828909853 UTGWMTFCLUMZBO-OAQYLSRUSA-N 447.513 0.116 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)COC1 1830029946 NIOLRHAUONMUHH-KTBYTZPXSA-N 434.514 0.980 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1830058159 QKYBSDKFRFOVFL-BDNZGDGKSA-N 444.488 0.458 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831183785 UDPMTDHEACTREE-JPYJTQIMSA-N 427.501 0.409 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831491089 VGPQVPORWAYEAR-APWZRJJASA-N 427.523 0.845 30 20 ICED COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834128956 UTMDVUIAICTZDQ-YQNSVDCASA-N 445.520 0.632 30 20 ICED Cc1ccc2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)sc2c1 1834567197 BDKOVFAFBBFGFV-NRFANRHFSA-N 443.481 0.763 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835406908 FALCDSMRXPZZSJ-QHCPKHFHSA-N 434.581 0.274 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835704560 VSVRJPZNZPFBBJ-IAGOWNOFSA-N 437.585 0.857 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837243268 QAZLEGQENGRHAN-URAOTHONSA-N 433.530 0.787 30 20 ICED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837526255 TYXUMZKKVXFBLB-QDLBXXMRSA-N 439.509 0.398 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533452 VGUWBKJLNWNIQU-QFHXPBCISA-N 425.482 0.522 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838581885 UNEZXSLXAMYAIZ-QFIPXVFZSA-N 439.472 0.534 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)c1 1838732647 XWPMNXCZYHWBEK-QFIPXVFZSA-N 449.471 0.401 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c1 1838904589 OGDFGOAWKJKNAJ-SIKLNZKXSA-N 425.441 0.955 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnco5)C4)C3)c2c1 1839487449 IYCAOSXYGMTCEX-OAQYLSRUSA-N 436.428 0.806 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)n1 1842920493 RJOPHBYABZTWQM-UHFFFAOYSA-N 428.537 0.772 30 20 ICED C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847444025 ALNYRQLWUPAOQG-LMAOXAQZSA-N 426.539 0.764 30 20 ICED C=CCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 30994313 XKMHXCLYKVQLIJ-UHFFFAOYSA-N 444.941 0.533 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 435946376 YGIFQFLZFHYVBE-SZMVWBNQSA-N 440.518 0.288 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c(C#N)cn1CCOC 441802360 YXVUISUYUFNLII-ZDUSSCGKSA-N 441.510 0.715 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 444766138 MFDZMJOJUCXBAP-UHFFFAOYSA-N 432.956 0.566 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 446803315 VLSKKACLJOHRCN-CQSZACIVSA-N 449.450 1.052 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 464803913 BKVYZTMMTQGKSG-FTAMUGHTSA-N 435.488 0.375 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467157900 JPJKZFQZWGHYMY-CYBMUJFWSA-N 430.477 0.684 30 20 ICED CC(C)OC(=O)[C@@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470155279 UTJSDPINBMUPDL-MRXNPFEDSA-N 436.534 0.663 30 20 ICED C=CCn1c(O)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 470841585 UIQMDUVPBFESNF-UHFFFAOYSA-N 439.519 0.921 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H](C(N)=O)O1 471045898 ZFXSUEIQZYUKJJ-CXAGYDPISA-N 427.461 0.309 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 471700242 IUWYCRLDGRRVTK-CQSZACIVSA-N 425.449 0.976 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(O)CCN(C)CC3)nnc12 474966886 JEKPZYWCKKSFDT-UHFFFAOYSA-N 442.545 0.895 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 476416298 SANMHINRTRPZBQ-WOJBJXKFSA-N 439.516 0.099 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccon1 480948628 HRPHTECOZGSXJG-UHFFFAOYSA-N 438.465 0.704 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)C3CN(C(=O)C4CCCC4)C3)C2=O)cc1 486648508 DAIXMBDPBRQSOX-IBGZPJMESA-N 430.530 0.980 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)cc1 498184213 OPHIXJXUPKCFJT-UHFFFAOYSA-N 442.501 0.563 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507464926 OXAGXHVQAGLSNL-QFBILLFUSA-N 427.505 0.349 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)O1 513025764 JYCYIKKOWRJCDB-ZSGPHXLJSA-N 435.502 0.889 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 522538432 GJKTVDXWZYPOJA-UHFFFAOYSA-N 431.477 0.198 30 20 ICED Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 531791139 YURJGHAEBKKBQA-UHFFFAOYSA-N 448.451 0.087 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1F 551544285 RSEXLPLQYJBHLF-UHFFFAOYSA-N 445.476 0.924 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(S(N)(=O)=O)c1 554747682 YPBHJBUITNKEMJ-UHFFFAOYSA-N 432.458 0.486 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 558239863 ZSDRBYQAXVHLIY-AOIWGVFYSA-N 439.516 0.933 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)n1 559396760 PRJAGLUVDKCWMA-NRFANRHFSA-N 448.527 0.619 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 563231515 GVYRDALAKYLSBL-SJLPKXTDSA-N 435.488 0.449 30 20 ICED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 572138381 RMSAOTJDYXCLTK-UHFFFAOYSA-N 431.541 0.700 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cn2)cc1 604510223 RRDQJJATHURXAB-UHFFFAOYSA-N 429.458 0.836 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc2c(c1)OCCO2 610358228 UYLBHADOBDBGDZ-UHFFFAOYSA-N 434.433 0.384 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 669813485 YYLDZEXAQGFAMJ-UHFFFAOYSA-N 436.520 0.588 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)CC1 672355506 YYKKJECMWSHQBA-MRXNPFEDSA-N 434.541 0.578 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 675139164 UAGXNUSWSOQISQ-MRXNPFEDSA-N 435.506 0.993 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 726168487 OGVNBOXHQLBMGH-NRFANRHFSA-N 440.481 0.583 30 20 ICED CCOC(=O)c1cnn2c(O)cc(COC(=O)CCN/C(O)=C3\N=CC=CC3=O)nc12 741339821 BSFVKBQBRUXPST-FBMGVBCBSA-N 429.389 0.571 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 741435111 XUXALOQVHNPDCX-UHFFFAOYSA-N 445.501 0.340 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 747324016 PVIXOTMEVUZJRH-UHFFFAOYSA-N 427.486 0.054 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 748286773 ISTCXEZWUJQVII-UHFFFAOYSA-N 441.557 0.935 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 758596268 ZKVFYULDQJOUMY-DZGCQCFKSA-N 438.510 0.418 30 20 ICED CN(CCCC(=O)O)S(=O)(=O)c1ccc(C(=O)/C=C\c2cn(CC(=O)O)nn2)cc1 759074692 HJSGBQDIQKYYIQ-TWGQIWQCSA-N 436.446 0.744 30 20 ICED CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 763151718 DPTVKQNMOQTUSO-BFICXRQZSA-N 447.521 0.996 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 768580893 LYJVSVLUVZOOSS-MSOLQXFVSA-N 434.562 0.999 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)cc2)CC1 770865726 GBWCHILZRIBXQK-QGZVFWFLSA-N 443.485 0.478 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(O)c(CN2CCCCC2)c1 771896721 HQZYDCMTODMWLD-UHFFFAOYSA-N 449.533 0.478 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4sc(C)cn4c3=O)CC2)o1 775893013 YDWVWIKJHKIXFV-UHFFFAOYSA-N 442.457 0.738 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCC2)cc1OC 784202080 XYEQTLVBTHESEN-UHFFFAOYSA-N 425.463 0.478 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)c1 787972140 PTTLJMMCGNJENC-NHEFTAMWSA-N 444.460 0.666 30 20 ICED C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 788694843 YFWOKNXFLUYQPJ-UHFFFAOYSA-N 440.909 0.871 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)n1 789788861 WXGCGEJEWITNEW-UHFFFAOYSA-N 447.517 0.179 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)n2)c1=O 790423057 VKOSPQSVLOMQRA-UHFFFAOYSA-N 446.554 0.038 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 794582668 XQCUFYMLMUZNMS-HNNXBMFYSA-N 443.481 0.963 30 20 ICED CCn1ncnc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797378426 WIMRRUAVMZPGNR-HAHDFKILSA-N 433.494 0.366 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CCC3)c2=O)cn1 814251937 XZEYAAFEAUSTMA-MRXNPFEDSA-N 442.541 0.976 30 20 ICED CN(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(C)(C)C#N 919649215 OHGFABAQRBGHDW-AWEZNQCLSA-N 449.485 0.927 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1 927569055 GQRXOZNSUDUIPO-WMZOPIPTSA-N 449.529 0.503 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1297687398 UACKCELTZXJUQZ-HXUWFJFHSA-N 449.533 0.751 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1=O 1298890623 JIRAUBLYWNVBQA-UHFFFAOYSA-N 444.517 0.035 30 20 ICED O=C(NCCCCN1CCN(c2ncccn2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 1318407556 MLUJEWKGNNYPRM-HNENSFHCSA-N 442.524 0.204 30 20 ICED CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517595001 QHHPTRMFYHNZRF-UHFFFAOYSA-N 434.508 0.716 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1555989021 WHCVOCCMYJWGTQ-UHFFFAOYSA-N 445.545 0.965 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)Cc1cnn(C)c1 1570475728 OVISIOOSYOFDLJ-RDJZCZTQSA-N 433.534 0.737 30 20 ICED N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1655797744 KKSFXALTJIUMRY-CYBMUJFWSA-N 427.426 0.566 30 20 ICED COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 1661993039 UWIWJUHVKUCMFC-IUODEOHRSA-N 448.339 0.667 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCS(C)(=O)=O 1692782757 QZSKDWRXTSJEEL-CYBMUJFWSA-N 432.572 0.453 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1707956729 ZUKCVYPHBGMJQR-YCRPNKLZSA-N 426.477 0.547 30 20 ICED CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1728649960 QZDNSOVYKBLUJC-UHFFFAOYSA-N 425.493 0.827 30 20 ICED COCCN1C[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1=O 1749863418 VLEDNZYWYYATDJ-IRXDYDNUSA-N 429.525 0.854 30 20 ICED CO[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCOC1 1768227120 JTSYJMQCHLCCCJ-MPGHIAIKSA-N 442.542 0.155 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1768464337 NYRMWPLORQJWLX-UHFFFAOYSA-N 434.508 0.204 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770747727 JJYDLTHLCSDFGS-SJORKVTESA-N 441.467 0.456 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444926 DONISJOHWLHAII-QHRIJPBDSA-N 442.476 0.702 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057578 AATYWWCFIFXXND-YCRPNKLZSA-N 427.461 0.124 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787929 SYYGCMLAHZLPRX-KKSFZXQISA-N 448.476 0.160 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@]3(CN(C(=O)CCC#N)CCO3)C1)C2 1782851968 JUIYLOPYCFMFDK-AOMKIAJQSA-N 443.504 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 1783531481 RTQLBBLNDAGULY-LZPLBESISA-N 444.536 0.485 30 20 ICED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783666184 BFTQADJXDSCPOC-OAQYLSRUSA-N 434.493 0.400 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783743135 CBBTZMMEIQWCGW-XBKFQHLESA-N 437.500 0.725 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1783769653 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CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cn1 1786857420 PHPZXEBYMWXFOG-BQFCYCMXSA-N 444.536 0.750 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493636 AANHDYMZWKUWBR-BQJWYLBZSA-N 444.517 0.282 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652358 CFKAADWUBXWPKC-LIWDEWCMSA-N 438.525 0.410 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791286157 DDNYVPSONMBKAN-VDNWNZSNSA-N 429.473 0.767 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccoc2C1 1793115464 MTEAQMSRNBJZJI-SMKPQFMDSA-N 427.501 0.833 30 20 ICED COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CC2)ncn1 1795416852 WKMLQRKFBFBWDP-UPHUGPLXSA-N 442.520 0.595 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795932174 MHYGCLIDINMBIY-ZSBFGKGUSA-N 434.518 0.235 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cc(O)nc(O)n1 1796352942 DKFDCJAEUFUSJR-HBCWATKFSA-N 442.859 0.796 30 20 ICED NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815554 OFSOUUDARHCQGR-CVNGWDAJSA-N 444.488 0.518 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)c1ccccc1 1797876565 IVBRPZQYADGVQB-JTJHWIPRSA-N 432.542 0.818 30 20 ICED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800492788 XUTBWHQLEDUOMC-NYCLONFESA-N 432.546 0.693 30 20 ICED CCN(CC)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800778805 HKFJJIZJPQTNQQ-GMQQQROESA-N 427.501 0.747 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)cc1 1801301690 SQIZPFBVTMAUSG-ALXJQNPVSA-N 426.502 0.866 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2nnc3ccccc32)[C@@H]1c1cccnc1 1804020508 QQDAFPOLEGTBIN-AOMKIAJQSA-N 432.440 0.620 30 20 ICED 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)n1cnnn1)C2 1804376523 MSTHMDVUVPBJQZ-ZOFXXKQRSA-N 445.524 0.789 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1810247951 LYZPBZOPBQGJPW-JENIJYKNSA-N 431.537 0.932 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1812675586 STNQWMUYSBREOY-XJKSGUPXSA-N 439.394 0.758 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886402 HGPCIZITIAEWQD-YLQAJVPDSA-N 438.550 0.279 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820242262 MCMBRXIRQNDVRQ-XHPSBEMXSA-N 425.449 0.657 30 20 ICED COc1ccc([C@H](O)C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825660378 ICFSKMMDIGSDGM-SGTLLEGYSA-N 429.454 0.885 30 20 ICED Cc1cc(NC(=O)CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)no1 1825665291 BIAWYAWQTSGYOG-JTQLQIEISA-N 431.430 0.468 30 20 ICED C[C@H](S)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829341240 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CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831475557 NGBUNHFTNCMPJA-HSZRJFAPSA-N 449.548 0.056 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831490990 ROQQJRRSAPNQKP-NQIIRXRSSA-N 436.578 0.933 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1831493786 UPXLLJHUZLAIJP-SOADLSRISA-N 425.595 0.737 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672539 ZZGIZXDXGQUQDH-MAUKXSAKSA-N 437.493 0.537 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1832447047 PGZSGTKPDQORLL-LLGFUMIMSA-N 440.562 0.951 30 20 ICED N#Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1833235891 JBYPITPTGOKHCR-NRFANRHFSA-N 426.565 0.348 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)c(=O)[nH]c1C 1833386202 PKXCJXPFSGWWTA-UZLBHIALSA-N 438.550 0.411 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1835353973 ICEXCULSNFDTNX-OAQYLSRUSA-N 442.451 0.780 30 20 ICED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835382500 XEYNESSOTUFXRE-HSZRJFAPSA-N 428.533 0.899 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835657693 BMMKBPIOCCPVIW-HSZRJFAPSA-N 428.533 0.947 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731740 YESOLYYGFTXJPZ-MHIQDMOBSA-N 446.596 0.651 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](N)c4cccnc4)CCO3)C2)c1 1835834650 PWRIZTCVADKNSB-XMSQKQJNSA-N 438.488 0.441 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835918229 ZRVZIHXQCPJIOD-UHFFFAOYSA-N 428.493 0.910 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825409 UJQPMLTXRUYDDJ-FQEVSTJZSA-N 436.465 0.976 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839223044 KGSTUMSQHRPYFQ-VFNWGFHPSA-N 447.492 0.051 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361815 GCNJDGYLCLJWGZ-UZUQRXQVSA-N 442.516 0.689 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420644 VJPPPHVDRLHYKK-UWJYYQICSA-N 447.467 0.214 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1839806047 YTRHGUHDYIVODE-DOWNOZBLSA-N 433.505 0.474 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839874533 BQEFVHHBUIWPJJ-OPAMFIHVSA-N 447.919 0.673 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840279007 GEJXDRORTSSTLR-BTYIYWSLSA-N 436.530 0.790 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360463 FACSEHGWPOFXSG-HYFFOGBASA-N 432.521 0.562 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCc5nc[nH]c5C4)CCO3)C2)CCC1 1840366272 SYSSVQRZCBATFH-AOMKIAJQSA-N 427.505 0.665 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840482871 DYLFKVRCIHKPKE-ZZAWEDPDSA-N 445.520 0.136 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c(O)n1 1842296091 FYNJAIIFISTUMU-UHFFFAOYSA-N 427.461 0.275 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843009122 KUEVTBWLHGGUJR-UHFFFAOYSA-N 433.428 0.429 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)N(C(=O)OC(C)(C)C)C1 1845067212 UFJZRLPZYOREIK-ULQDDVLXSA-N 434.537 0.478 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194466 HPPWPHDPLJBWBD-YCRPNKLZSA-N 449.504 0.286 30 20 ICED O=C(NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1)c1ccc[nH]1 1848179184 RRHHLKUTYGNIBQ-PNVIPZPXSA-N 431.493 0.865 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 30332153 GHPVHWCBLZASOA-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CN(CC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)S(=O)(=O)c1ccc(C#N)cc1 446337608 SIGMMNANRDQNEH-STEAMIEHSA-N 442.497 0.102 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460607550 NWZKTEZSQGRLEV-UHFFFAOYSA-N 439.520 1.392 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)cn1 460818459 VKIQPOJNYSMEAQ-FQEVSTJZSA-N 445.483 0.960 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)ccc21 471030640 UWZFBKISCPPBLT-KRWDZBQOSA-N 441.488 0.308 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCS(=O)(=O)N2CCSCC2)c1 473571758 PQXMQHPKKIHZMH-KRWDZBQOSA-N 436.559 0.544 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 476033609 NSRLHOAQKXRVKL-RTBURBONSA-N 430.530 0.381 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 480443276 JYXOKXVYKXNGOA-GJZGRUSLSA-N 433.534 0.036 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 482181652 MYDPCQGZJZGEOK-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)C1=O 489287727 CMLZWEUAFGWWIN-UHFFFAOYSA-N 449.851 0.073 30 20 ICED COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)n2C 489620829 KDXPTZWEWGUJEX-UHFFFAOYSA-N 433.472 0.814 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)n1 494962697 ZBWCBFWJNHHFID-UHFFFAOYSA-N 433.266 0.662 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 522280142 WXKXOMVASAUZKL-IYBDPMFKSA-N 442.563 0.527 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536982 PFCYODPMROSDKO-UHFFFAOYSA-N 431.477 0.175 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(CC(N)=O)CC1)CCCC2 532743260 QARUEQJVWJLPKS-INIZCTEOSA-N 428.537 0.459 30 20 ICED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543005654 VLNKGBPAARIWSP-KRWDZBQOSA-N 429.408 0.594 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1=O 546779676 PPVDZCJRDMDRDU-LIRRHRJNSA-N 436.490 0.157 30 20 ICED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)CC2)CC1 552515398 KLBCJUKJWLFUBV-UHFFFAOYSA-N 438.576 0.882 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 553187922 VAKAWBDUZOZRRU-HNNXBMFYSA-N 441.467 0.012 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 557025575 QNUPXEGLSKQVPT-UHFFFAOYSA-N 444.355 0.932 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 557769158 ZGDIBGAKYGQVGB-UHFFFAOYSA-N 428.580 0.608 30 20 ICED CN1CCN(CCNc2cc(NCCN3CCN(C)CC3)c([N+](=O)[O-])cc2C#N)CC1 565379485 HBULYOUSRVXKEK-UHFFFAOYSA-N 430.557 0.785 30 20 ICED CCOC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567422641 MJGRBJNAFVEHSS-GOSISDBHSA-N 426.473 0.577 30 20 ICED COc1ccc(OC)c(CN(CCO)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 571574105 HTUQIYAMKFRHTD-UHFFFAOYSA-N 433.486 0.875 30 20 ICED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)CC1 588236362 IDBZPXKQMRVUNZ-UNMCSNQZSA-N 438.576 0.508 30 20 ICED C=CCCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 606139397 ZVJZJYNFCLRMRS-HNNXBMFYSA-N 443.547 0.515 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cn1 608884078 SAFANJGQSQCADE-UHFFFAOYSA-N 449.492 0.059 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609219930 MXDBBQPAWOLWEF-UHFFFAOYSA-N 444.532 0.329 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2O)CC1 728608858 TYHZEZPZESHFBK-UHFFFAOYSA-N 427.242 0.504 30 20 ICED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC(=O)NCC#N 731237081 COVUFHKACSDAAC-QGZVFWFLSA-N 425.463 0.334 30 20 ICED CN(CCn1cccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732485286 BSZCVOUUOLOOSP-XLNRJJMWSA-N 432.506 0.793 30 20 ICED C[C@@H](CC(=O)Nc1cnn(CC(=O)NC2CC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742558544 KPUPHNXRCGHTJB-LBPRGKRZSA-N 430.490 0.618 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 744088395 CAEBZTJSIZQQCU-UHFFFAOYSA-N 449.510 0.680 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1 746887292 IGJVEKYOBNXHCP-UHFFFAOYSA-N 427.529 0.368 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 749274155 AAXRRWVKDMZLSH-OAHLLOKOSA-N 437.474 0.324 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 753752569 LDGAZSGOIMARDU-TZMCWYRMSA-N 442.567 0.252 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1=O 755463238 YPCOCIGZXNVOGB-ZDUSSCGKSA-N 432.452 0.941 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 758425866 HQHJEDHQLIQICK-HKUYNNGSSA-N 443.529 0.561 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2(C)OCCO2)cc1 759427972 YDRVVZHWWHENLN-JWGURIENSA-N 438.506 0.707 30 20 ICED NS(=O)(=O)c1ccccc1NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 773125924 RHDBWMQGEYZOTJ-UHFFFAOYSA-N 428.474 0.625 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccc(C#N)cn2)cc1)S(C)(=O)=O 773334874 UQWMQJHQZXKPCB-UHFFFAOYSA-N 438.487 0.488 30 20 ICED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 776119261 GVGYZAXPEMUGKG-CYBMUJFWSA-N 444.491 0.745 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)O)cc1C 777301288 JDPYSBNBMWUUSM-HEFCMCLBSA-N 437.518 0.683 30 20 ICED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784414588 KIZCRLDJPCYOHZ-HEQHKCQXSA-N 449.533 0.421 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC(F)F)c1 788341008 YSDFZDHAUZVCOG-PXLXIMEGSA-N 432.449 0.836 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797535037 IZPIYGAZQDBCNU-UHFFFAOYSA-N 429.926 0.828 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)CC1 800046275 NHJSQQFAAMZJJS-UHFFFAOYSA-N 444.351 0.655 30 20 ICED COC(=O)c1sccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 800754928 SCLSESIBZIFIGZ-UHFFFAOYSA-N 437.455 0.867 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 807403259 XKIZVBVUGXTREO-UHFFFAOYSA-N 439.815 0.835 30 20 ICED CN(C)c1c(C=NNC(=S)NCCCN(C)c2ccccc2)c(=O)n(C)c(=O)n1C 807968888 FFLGSAXDGWOXJX-UHFFFAOYSA-N 431.566 0.475 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(=O)OCC)cc1 811833192 QJNYNOKWIKXQBE-KRWDZBQOSA-N 436.486 0.699 30 20 ICED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cncc(C#N)c3)C2=O)cc1 813980269 YIZVDRFZGGNEFK-IBGZPJMESA-N 427.442 0.534 30 20 ICED NC(=O)CCNC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 814338022 UWMICQDKYHIPPF-UHFFFAOYSA-N 443.485 0.359 30 20 ICED CN(CCS(=O)(=O)NCCNc1ccc(C#N)cn1)S(=O)(=O)c1ccc(F)cc1 917879452 AHLVDVIKRTWGJD-UHFFFAOYSA-N 441.510 0.744 30 20 ICED C=CCN(CC(=O)OCC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 921293838 RPAXBTMICIGKBQ-UHFFFAOYSA-N 426.491 0.907 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1298013319 KQMFGXSJOROJCU-LJQANCHMSA-N 439.520 0.442 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncn(C)n1 1305786367 VWAIBNDNXHORTR-MRXNPFEDSA-N 426.529 0.550 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314556946 NJKBEBXCQKXETP-SFHVURJKSA-N 444.565 0.380 30 20 ICED C=CC[C@H]1NC(=O)N(CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1=O 1320895904 WKSBCVLYUNAUQZ-CQSZACIVSA-N 431.492 0.288 30 20 ICED CC(C)(C)OC(=O)[C@]1(C)CCN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C1 1335317438 ZHPDDTLHAIGWNB-JOCHJYFZSA-N 449.600 1.000 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1509957963 XCNUYPVQVPGMBT-TWMKSMIVSA-N 440.570 0.900 30 20 ICED CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617428773 OOZIUSSZIBIDMQ-RKXCMPKHSA-N 442.549 0.591 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c(=O)nc1O 1641967967 LESFSYMJGJOZEQ-OAHLLOKOSA-N 425.445 0.254 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[C@](O)(CC#N)C1 1665214346 CIBYKQZTFSFHTJ-LJQANCHMSA-N 438.506 0.989 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1671372981 NQDCIJAOARCJIR-IBGZPJMESA-N 448.593 0.878 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(S(C)(=O)=O)CCC3)CC2)c1C#N 1725862415 JSEYGRMBVYGEQD-UHFFFAOYSA-N 432.554 0.794 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1752447280 LTSNTJSJPLKNJX-NJSLBKSFSA-N 432.506 0.538 30 20 ICED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCOC1 1768227119 JTSYJMQCHLCCCJ-DAYGRLMNSA-N 442.542 0.155 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778757 VDHSOKBSLUUOFK-UQQIOGDDSA-N 425.493 0.873 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1778941664 CLSGTQLIRUPPOM-SBUREZEXSA-N 438.484 0.595 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181264 ZIWNOQGSPREFCW-GCKMJXCFSA-N 446.508 0.226 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779314264 YQLLLLSMKBIHQL-XMSQKQJNSA-N 439.472 0.327 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)[C@@H]1SC(=N)NC1=O 1780695326 ATHCFBLREUBXLI-PCMMCCAGSA-N 441.513 0.804 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)cc1 1781784254 AEWLJBCFJQECTC-JOCHJYFZSA-N 435.440 0.998 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966529 JBGGVSDNLQHKSC-RTWAWAEBSA-N 433.436 0.757 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635539 ROMNVBHTJLYKMP-PIUNUONSSA-N 430.509 0.416 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783195563 FMNUMCRWDFXODM-IBGZPJMESA-N 437.447 0.672 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567072 FJUGWCSQKIYSRL-VFNWGFHPSA-N 435.477 0.304 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685897 SYNXXKZUQYTEIP-BZSNNMDCSA-N 425.526 0.586 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784502515 WGDHZYFVSMMSEQ-FPXQBCRKSA-N 445.520 0.201 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1785578329 XDRYVTOOOGMMSP-JLHGSKIFSA-N 435.521 0.769 30 20 ICED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785863778 ATACRDXCTSIVKN-DKDXOFKGSA-N 432.525 0.494 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)n(-c2cccc(=O)n2C)n1 1786365546 LGSZHHUQGAWPEX-BQFCYCMXSA-N 438.488 0.386 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1CCN(C)CC1 1789800356 XLZLAUTYAKUZNE-FSYDTGQUSA-N 448.612 0.074 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1795601267 ZINWYJVEGGSDDH-YRPNKDGESA-N 428.533 0.461 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796359060 WWJZIBLRTPXTGM-HBCWATKFSA-N 439.428 0.042 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1797913642 GETKYGWVPKUTKG-WCXIOVBPSA-N 429.583 0.896 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1798398066 UIPHVZMNRAABQJ-JYYAWHABSA-N 432.477 0.968 30 20 ICED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)c(=O)nc1O 1798925257 OAWPZIWIBGOYFU-IZZQQSIFSA-N 437.456 0.032 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1802578148 PLNPZCCNADVGTI-MIZPHKNDSA-N 448.527 0.795 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804355177 SGKGGUBFCGFWSY-RKVPGOIHSA-N 435.444 0.199 30 20 ICED N#CCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1806278604 DFIVEDOPKJHINJ-ACJLOTCBSA-N 428.474 0.466 30 20 ICED Cc1c(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1811312163 XRSYKDOCVRSLFL-QRWLVFNGSA-N 448.439 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCn2ccnn2)n[nH]1 1822804392 QBENRVIAUOFYQC-WLMCBFPDSA-N 426.481 0.942 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824489368 RSCBFSABBGXWON-RHSMWYFYSA-N 441.492 0.084 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#Cc1ccccc1)CC2)C(=O)C(=O)O 1824670224 SLUOKJCXBDKNIT-CQSZACIVSA-N 440.481 0.650 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830867563 QPXLDTGQUAFKKE-QYUKCPRWSA-N 436.530 0.960 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831433677 LRCNNDXVNUWPAP-IIBYNOLFSA-N 441.525 0.559 30 20 ICED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1C(F)(F)F 1833324166 GBVJVGULWBKIHY-IBGZPJMESA-N 440.422 0.922 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c(O)n1 1833696282 YYHYFUNXXNDMGT-CVDCTZTESA-N 447.532 0.993 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833820606 IQWMOTVIDSMQDM-NRFANRHFSA-N 434.493 0.665 30 20 ICED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835235560 YBEKIIAUVMKPRS-QFIPXVFZSA-N 431.489 0.602 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836014213 PTDHABRLZVASEN-NMWDDECMSA-N 431.537 0.875 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393414 KYHKKGLNJZOFCE-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837306284 ZALMGURAFQMGFZ-REWPJTCUSA-N 435.565 0.934 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837308902 DAMQAFJXXPBUAG-IIBYNOLFSA-N 432.525 0.544 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837372998 NGIMHPMZQCXNSG-KZULUSFZSA-N 439.925 0.771 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1837395238 URXZQWJESYRNRW-VFNWGFHPSA-N 434.493 0.128 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837397842 WQXWZXNUACVALP-IFXJQAMLSA-N 428.555 0.033 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837444247 USGGXRBKFFPASB-YQNSVDCASA-N 445.520 0.632 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524603 CMZRKHYWQWLJEN-JMQQFMRHSA-N 449.508 0.328 30 20 ICED Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837529776 YFTUVGLSKGHNEV-YIPJSWNASA-N 434.493 0.922 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1837667198 LQEWFGXYJBSSAD-NRFANRHFSA-N 440.610 0.919 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837670391 FESWRKJEZSLQFW-PGRDOPGGSA-N 439.553 0.730 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837924160 MXPQJFWAAYGPOP-WNBNNUDTSA-N 447.879 0.912 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908888 ZMSHTGJTDNUHBH-FCHUYYIVSA-N 445.472 0.244 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363529 KFPLMCJQBZOAJF-WMZHIEFXSA-N 440.500 0.443 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1839806201 FPHWZAQHZRDIFH-VGSWGCGISA-N 435.521 0.866 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840158799 RCQNTDBOHDZVDJ-AVYPCKFXSA-N 443.566 0.771 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840437184 XTNZVSABXPPOFT-JOCHJYFZSA-N 440.504 0.549 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1840550685 KATXWPOXHTYZSO-OAQYLSRUSA-N 449.529 0.371 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1842920246 SYADAMSILWKSRY-UHFFFAOYSA-N 442.516 0.935 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1845207025 WASDCHOAFYAADE-AOMKIAJQSA-N 435.521 0.912 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)ccc3F)C2)c(=O)nc1O 1845486890 OADDEBZHDMMMQY-UHFFFAOYSA-N 425.420 0.785 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1847068366 ARNWWMUELHVWGN-HNNXBMFYSA-N 434.493 0.559 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 26350720 MCGVPWMHVJPVBM-INIZCTEOSA-N 448.545 0.665 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 409553423 NOSAFDUJQWQQJU-UHFFFAOYSA-N 432.568 0.711 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 435635586 KALKZIBGSWYXTR-UHFFFAOYSA-N 431.449 0.632 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 439217766 SKYSXXFLCHQCGH-IRXDYDNUSA-N 434.518 0.701 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C1=O 440271657 VCQPHWMGAZKMSN-YOEHRIQHSA-N 439.476 0.662 30 20 ICED CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 444505662 IBASPIYLTWLLCL-UHFFFAOYSA-N 433.490 1.066 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460587126 SPFDTAZHXTYNCY-UHFFFAOYSA-N 447.455 0.827 30 20 ICED N#Cc1ccc(OC2CN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)cc1 462003142 JFTKFAMPSSLWJK-UHFFFAOYSA-N 449.533 0.372 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 465423580 RNEMOXJWMIPDGV-OAHLLOKOSA-N 448.487 0.944 30 20 ICED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)c1=O 467911686 SMROWEASLNDXHD-UHFFFAOYSA-N 432.387 0.541 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCC#N)Cc2ccccn2)CC1 471231871 OENUMBUZHYAITE-UHFFFAOYSA-N 446.533 0.935 30 20 ICED N#CCC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 476827803 UEEYHVJEJGTIMJ-YGRLFVJLSA-N 434.301 0.604 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 479650509 UTVJRIBRTCEOCU-HXUWFJFHSA-N 427.549 0.214 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2=O)cc1 486480742 REFNGFBHBQFEDT-MOPGFXCFSA-N 426.521 0.546 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cnc(C#N)nc1 488751139 VHLGRIBCLSKMAI-UHFFFAOYSA-N 433.446 0.395 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 489257069 SQMWJBMGLXOQBD-QGZVFWFLSA-N 441.469 0.061 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 491246968 MBKMRTOLYAOIAH-SFHVURJKSA-N 443.548 0.465 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 500927921 YRMLMBAFVCMJED-HNNXBMFYSA-N 426.514 0.686 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 503301634 LGTMUWALXAONMV-UHFFFAOYSA-N 441.532 0.698 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 510025011 ZRQXZFCKCBDHIM-ZBFHGGJFSA-N 430.552 0.712 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 521305067 JAALWEJWHOMJDG-FQEVSTJZSA-N 441.532 0.739 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C1=O 523501637 JHHQWVLMJQUXQQ-UHFFFAOYSA-N 436.446 0.051 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 549286084 WWWQHLKJPNBCDI-HZPDHXFCSA-N 440.570 0.682 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 552902813 RBTPRQIUAHYKHE-CJNGLKHVSA-N 432.506 0.650 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)c(F)c1 552910083 CFDCVHQSYKBZDU-QGZVFWFLSA-N 444.511 0.050 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)C1=O 556193407 MFZOAGGTMNZORR-ICSRJNTNSA-N 427.549 0.559 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCOCC 567556423 PZMARMVRPIEAMI-UHFFFAOYSA-N 444.463 0.901 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 579040194 GWOUIPLSAAWXPH-HOTGVXAUSA-N 437.422 0.502 30 20 ICED CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 585772402 LBPVMDHQXOOSFS-UHFFFAOYSA-N 430.509 0.487 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 586864273 PZBXQWUKOYZITQ-KRWDZBQOSA-N 433.465 0.528 30 20 ICED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588124712 HHSWPZIEOJOSRN-IBGZPJMESA-N 427.549 0.840 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCCOC)c2)c1=O 603994841 CFFIUYXPFYOXKV-UHFFFAOYSA-N 431.514 0.221 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 608865583 PVYXADDOJDDTGF-UHFFFAOYSA-N 426.408 0.949 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 614094721 ZIPSXSHOVJFSPE-UHFFFAOYSA-N 433.486 0.954 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669804492 AUONIBOODXBTDY-UHFFFAOYSA-N 434.522 0.831 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 682810860 NKXXYCBPUBCQPV-UHFFFAOYSA-N 443.489 0.702 30 20 ICED COC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 737240866 XISQWYUFMNRHSM-JWGURIENSA-N 438.506 0.897 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742245417 HJRLUGLAFDCJDJ-LJQANCHMSA-N 446.463 0.995 30 20 ICED C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742625920 XGQNZNZBAMWWKD-NVXWUHKLSA-N 448.545 0.744 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 747736145 AURWFKREYHIRJI-UHFFFAOYSA-N 439.559 0.434 30 20 ICED COC(=O)c1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1C#N 756205049 FVAXVRSIZWKOJK-LBPRGKRZSA-N 445.453 0.854 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)s1 763316399 LLIBSWCBSAIYGM-UHFFFAOYSA-N 440.568 0.753 30 20 ICED N#Cc1cc(N2CCN3C(=O)OC[C@H]3C2)cc(N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] 763393388 MECLJZBTHGLHNR-CABCVRRESA-N 428.405 0.748 30 20 ICED C[C@@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)NO1 765375845 LAWLZWXGSGGMSY-JPAZDARGSA-N 429.520 0.619 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(-c2ncccn2)n1 768221650 SUARVIBFRJCYTO-KBPBESRZSA-N 440.464 0.785 30 20 ICED C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780215199 QDWGSFPMZHFORO-ACJLOTCBSA-N 431.470 0.530 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 785155408 DTNDMRJJEGUUBR-UHFFFAOYSA-N 436.534 0.632 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2CCCC[C@@H]2O)CC1 796141961 LSCXNPZIXZQEKY-AEFFLSMTSA-N 449.529 0.876 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccnn2CCCOC)c1=O 802723313 HKNYQKKDNBJVAJ-UHFFFAOYSA-N 427.530 0.195 30 20 ICED CS(=O)(=O)CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 811684306 DFGGTNMFXILLDD-UHFFFAOYSA-N 429.501 0.572 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CCC1 814252088 DUHGGRNCGPICSW-UHFFFAOYSA-N 445.545 0.133 30 20 ICED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 920731049 LXJPEELQQJCKOE-UHFFFAOYSA-N 438.502 0.858 30 20 ICED C[C@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1288705347 OGIFJEFZGOYTCX-IAGOWNOFSA-N 440.508 0.622 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1303469760 JXFJNBQUHXTCCJ-HNNXBMFYSA-N 445.549 0.811 30 20 ICED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1321833645 PSWWYKSASUFFAW-HNNXBMFYSA-N 438.531 0.517 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 1561842287 PXUNBOMHFQRPLQ-UHFFFAOYSA-N 438.506 0.997 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1618827965 WPGGMPBUQPWGAX-VFNWGFHPSA-N 425.493 0.818 30 20 ICED COC(=O)c1cccn(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1=O 1650978875 JTTJEWLDYJYCHG-UHFFFAOYSA-N 435.234 0.818 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1696490920 RJCVFAKBEMEACO-GJZGRUSLSA-N 446.599 0.448 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1706626753 QFUCJGBDGCIWJA-QGZVFWFLSA-N 446.533 0.910 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H](COC)OC)CCOC1 1765914630 YZVFZEMRRDNXHY-DBXWQHBBSA-N 434.541 0.768 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1778948379 HIFYIFDGEOEJPY-OPAMFIHVSA-N 427.505 0.638 30 20 ICED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)cn2[nH]cnc(=O)c12 1780599851 WHWKSQVMLBDSJZ-QHCPKHFHSA-N 446.467 0.960 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255126 RRSCRYKOPUJBOG-GEQKSPFYSA-N 427.501 0.854 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1ccnn1 1781548013 NOSNCOYGIQTVRM-OAQXXOLNSA-N 431.541 0.825 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(O)n1 1783169271 BXRAPUZZMHLZFI-IVZQSRNASA-N 430.505 0.874 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1783677431 QWMRMZUTKCKMHI-LNLFQRSKSA-N 443.504 0.188 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1)n1cnnn1 1784603523 SPWKHWPWSZTXHM-ORAYPTAESA-N 429.868 0.903 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788513593 MJXBHODSFSXYRX-QHGOMKHRSA-N 431.581 0.778 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789143270 KGEFGQJVVGZDQI-CBVHJVASSA-N 427.505 0.896 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1793262052 QURRRSRJMCIJNJ-CCWDJLKJSA-N 426.498 0.742 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O)c1ccc(O)cc1 1793433429 KQMDILNYRZYXHA-VXXLCZORSA-N 441.528 0.990 30 20 ICED Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793544596 IVXMPEYMPMJECW-CCWDJLKJSA-N 433.472 0.994 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2ccnn2)C3)c(O)n1 1794490408 HXSPCMLWRYDKBQ-OAFZBRQQSA-N 440.504 0.962 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796298068 JVCFGVBAYVJPJX-FZKCQIBNSA-N 431.497 0.228 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400380 YTEGGYBVNSVZGT-SRYPRDQNSA-N 449.511 0.492 30 20 ICED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796466171 TVANWSGGCXOAFR-XEMDLRDOSA-N 430.480 0.602 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926824 IROGENPSLBGGJQ-OAFZBRQQSA-N 443.508 0.745 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797450381 HAVTWOWHHQVNNY-BAAGSCJXSA-N 443.500 0.794 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798412313 VBHSLRAHLSLXCI-VWPFQQQWSA-N 432.502 0.550 30 20 ICED CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)/C=N/O[C@H]3CCCCO3)C4)CC2)CC1 1799976742 VNKMSSVDJXQJOI-WXYWOKNLSA-N 447.580 0.934 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)ccc1F 1800391674 GLQXJEJNNUPUGK-WQDJSCAQSA-N 449.504 0.407 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)C2 1800778801 RHWYGTRZMMDFPY-SLAYPKMVSA-N 430.848 0.436 30 20 ICED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801029304 SPKZJZNHPOJTGB-ALANVVOQSA-N 429.539 0.219 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1804376776 PLWRCBLVANEYOF-XGUBFFRZSA-N 431.493 0.417 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1808451127 ZLTZCXWQLPYLPX-KXBFYZLASA-N 427.461 0.473 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC#N)sc2C1 1814503474 SWGHLHZMKWHDHC-SWLSCSKDSA-N 429.506 0.829 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814797491 GHZNONBDLOYHGU-KBPBESRZSA-N 449.464 0.375 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@](C)(O)CC(=O)O)n[nH]1 1822404242 MSKMWQXHLBUFQX-JDFABZIDSA-N 447.492 0.876 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195551 BWVDRDJCSHMNTK-LPHOPBHVSA-N 441.532 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1829771485 RNYWMZQBKXVUEU-LXHZQTKUSA-N 445.472 0.026 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1829907248 CPAHJGKNXJVACW-QFIPXVFZSA-N 438.488 0.239 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056705 OUMWPYWONVVKLT-FQEVSTJZSA-N 447.448 0.618 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831218960 LGLQUWKCUHABPH-OAQYLSRUSA-N 429.429 0.784 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(=O)(=O)N2CCCC2)CC1 1831669305 SJXALFZGOBEYCH-KRWDZBQOSA-N 439.534 0.120 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1832293659 NXSXSSVKWHFNOH-JOCHJYFZSA-N 428.489 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccnc(C)n3)CC2)CC1 1833075213 ZUJWDRNRFMBNAH-PLNGDYQASA-N 440.548 0.829 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833469689 VXGXQBINULYJJT-UHFFFAOYSA-N 434.585 0.381 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2)C(F)(F)F 1833874450 KKAOLKSAKFICHC-SFHVURJKSA-N 429.395 0.574 30 20 ICED O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CN1 1835097262 RTVCJWCWEIHXJL-CVDCTZTESA-N 425.485 0.021 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1835354700 XABJOWSJOOYIBX-NRFANRHFSA-N 449.529 0.611 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393529 RHNYHDQMYJHVIX-OXQOHEQNSA-N 433.534 0.754 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncsc1Br)CCO2 1836529180 TXJZDSMBBBFXMF-HNNXBMFYSA-N 429.296 0.889 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837078483 APNNPPHOSKSIBJ-OAHLLOKOSA-N 447.623 0.034 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1837148219 IYSXPWCOGHEFTJ-UHFFFAOYSA-N 444.488 0.221 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837440500 LOXIQJLFIHFDJG-QDAQPVAASA-N 436.553 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837746872 OIQVAIJECZDESS-VLIAUNLRSA-N 432.502 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838193408 DNNIVKBEVXQZMI-JTSKRJEESA-N 430.505 0.256 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1839173503 UPRKJUAIONNXMF-UWJYYQICSA-N 426.510 0.359 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839225092 XMMIFQFUADJTGY-KBXCAEBGSA-N 425.511 0.717 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839227165 LBQHQDQXKPZODM-JBYIUTFZSA-N 448.520 0.667 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839227243 OCTJPMAWPSDFHH-CBGDNZLLSA-N 448.524 0.534 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1839895056 HATNXKKANLZQPE-JOCHJYFZSA-N 441.484 0.510 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840199309 WEXHQYPKRQAZEG-UMQMUVBQSA-N 439.534 0.269 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840496138 BHUXEAYDRKIWSK-DEOSSOPVSA-N 435.480 0.838 30 20 ICED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840524145 AMGJZFJQUCQXMY-QFIPXVFZSA-N 441.488 0.931 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840900262 KJQZEHSBUANKGT-VGSWGCGISA-N 428.489 0.565 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NCC=C)C1 1841056618 TYLPTNKUKCNWTL-QXPKXGMISA-N 444.532 0.965 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C1 1844215500 NBQJUTFUYXYWLF-OAHLLOKOSA-N 434.493 0.629 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1847073450 IESYBLIMBJGOTI-HUUCEWRRSA-N 431.497 0.354 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)n3[nH]cnc3n2)c1 1847469958 CJHVHIVWNVXSJF-ROUUACIJSA-N 431.456 0.737 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 14853793 HDKHJBHIKZMVPQ-UHFFFAOYSA-N 439.501 0.237 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1C 446518922 DNXNZUQUKACRHR-KRWDZBQOSA-N 445.501 0.307 30 20 ICED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1(C)C 447290172 JZQKDHIWHJTGHT-HRAATJIYSA-N 429.452 1.504 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c2)c1 470996958 TUZDFMRYBFNEBZ-UXHICEINSA-N 449.463 0.961 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)c(=O)n(C)c1=O 471149910 BMBDGBNVQFJOIC-GOSISDBHSA-N 438.532 0.850 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476275480 RRUYUIBDCOWMIC-JLTOFOAXSA-N 441.492 0.001 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)nc1 476985264 CFHXWNCUQXJVKD-KRWDZBQOSA-N 436.538 0.273 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)n1 479382515 ADEPBXPXFLFKCS-UHFFFAOYSA-N 447.520 0.733 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 490647803 ITNWVMPUGLVSRJ-UHFFFAOYSA-N 430.442 0.796 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 507386565 PEDSRKQYSUXFMI-UHFFFAOYSA-N 430.494 0.947 30 20 ICED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NCC)CC1 509000269 JFXXMEJMVLSEPJ-UHFFFAOYSA-N 432.550 0.793 30 20 ICED Cn1cc(C(=O)NCC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 515020822 RBRMNJQWYLDKAB-UHFFFAOYSA-N 444.517 0.239 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O 516128953 FETSOLGHQHIVAZ-UHFFFAOYSA-N 425.510 0.912 30 20 ICED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H](C)c1cccc(-n2cnnn2)c1 525197160 PDRZICSPSPCKAG-NESDPSEASA-N 436.472 0.900 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(N)=O)C3)n2C[C@@H]2CCCCO2)cc1 550050832 VOJWYRUZQYLVQY-ROUUACIJSA-N 426.477 0.988 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C 553807148 AJDFFCIEXGKXRB-HNNXBMFYSA-N 427.484 0.898 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 555263729 IHTJGDADOCGAJI-UHFFFAOYSA-N 432.525 0.986 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 556327680 SPAUFRYFQHANHI-KRWDZBQOSA-N 442.439 1.332 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2c(C)cnn2C)c1=O 556782104 CJEVFEKGNSDVGY-UHFFFAOYSA-N 438.513 0.525 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 559535586 VEYIXJCONMXSFM-UHFFFAOYSA-N 432.506 0.826 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 560024269 JGICXVCSQJRZLP-MJGOQNOKSA-N 447.499 0.745 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)n(C)n1 562595713 KQECWSSCIXTRDT-GOSISDBHSA-N 447.503 0.964 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 564511491 XZQDAMKMKNRYNB-UHFFFAOYSA-N 444.517 0.764 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCO[C@@H]2C)O1 587659329 LGIOYIHWCQJKJU-XCGNWRKASA-N 427.505 0.833 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603924535 RFRHUUCLDXVUAY-UHFFFAOYSA-N 448.495 0.159 30 20 ICED COC(=O)CC1(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CCS(=O)(=O)CC1 615266382 VRWWMTQYYJLORJ-UHFFFAOYSA-N 432.462 0.771 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 615311467 JYLGRNMQEIJDTH-QGZVFWFLSA-N 436.520 0.671 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@@H](C)OC)C1=O 726403902 OOZMBGALBXUAQQ-YQCQBKKGSA-N 442.563 0.695 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1 731189119 JNMWDWNMDLUSCT-UHFFFAOYSA-N 428.470 0.717 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CC2)c1=O 732663333 STJMWZKWNYROPM-UHFFFAOYSA-N 429.571 0.674 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C 735493377 OYXOWKJIKHCSGE-VQTJNVASSA-N 434.562 0.638 30 20 ICED N#Cc1cc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1N1CCC(O)CC1 743733797 ZVBVENKDARCJNT-SFHVURJKSA-N 441.532 0.639 30 20 ICED C#CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 743970330 ZAHAGZHTBRWINP-HNNXBMFYSA-N 435.502 0.728 30 20 ICED C#CCN1CCN(C(=O)Cn2cnc3ccc(I)cc3c2=O)CC1 749873285 FVEYQNMNGSAKJG-UHFFFAOYSA-N 436.253 0.779 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cn1C 750619117 JWEZXOXESLIKSU-CQSZACIVSA-N 433.490 0.885 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1 751375245 AAONVAQCVHTYOF-UHFFFAOYSA-N 425.489 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OCC)cc2)c1=O 758091916 ZBYXJEDAVNSKOP-UHFFFAOYSA-N 439.537 0.988 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)C#Cc4ccc5c(c4)OCO5)CC3)ncnc21 761220981 UQCWXSFDPYGADQ-UHFFFAOYSA-N 448.439 0.336 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1cccs1 763460966 VPFPHRRNCRYGJC-UHFFFAOYSA-N 442.566 0.818 30 20 ICED Cc1cc(=O)n2nc(COC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)sc2n1 767629047 HBGWJDQCVIOBCE-LLVKDONJSA-N 433.471 0.741 30 20 ICED O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NO 782172206 WNRCRSFGNRJLPI-UHFFFAOYSA-N 426.314 0.629 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2nnn(C)n2)C1=O 783031309 VMQKFTTWTYWJNP-AYAKEVCGSA-N 430.538 0.673 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3C[C@@H](O)CN3C(=O)c3ccc(F)cc3)nc12 783348506 ARJDXKQSRJJOSW-HZPDHXFCSA-N 425.376 0.764 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccc(I)c2)c(=O)n1CC(N)=O 790112159 MNVUXNDMQJDSMN-UHFFFAOYSA-N 436.234 0.026 30 20 ICED COCC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 790463779 GCQHAVAEWWMUKO-HNNXBMFYSA-N 432.543 0.709 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cn1 791286119 NQLVXDKSLKIWHQ-UHFFFAOYSA-N 441.513 0.937 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646534 YJDKNLACILYZOO-UHFFFAOYSA-N 447.495 0.993 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 805719700 ZHMJPQDFWIBAGC-UHFFFAOYSA-N 428.470 0.784 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 807510598 KVNPEAGHQCGGSF-HNNXBMFYSA-N 448.528 0.745 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 808173952 GJUDYRIMBCZWRL-FUHWJXTLSA-N 441.488 0.907 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NS(=O)(=O)c3cncc(C#N)c3)cc12 813978946 LHCHLDCKJUWLEJ-JTQLQIEISA-N 432.487 0.833 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 838166271 PIJDJXDRMPYOTL-CYBMUJFWSA-N 446.485 0.119 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916993340 DLARMXTUTREUJM-LBPRGKRZSA-N 432.389 0.652 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1 917687345 FPBKWGQJIAMXLZ-XLNRJJMWSA-N 428.474 0.948 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1288269143 KJUHFNYNIDEFGQ-OAHLLOKOSA-N 445.549 0.811 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1314560133 SYVFRURVBXWQBC-UHFFFAOYSA-N 447.565 0.524 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 1317813589 NCRUUMHLAJFWBY-FRRDWIJNSA-N 425.488 0.207 30 20 ICED COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1504592219 YXTPWTQHQWZLHE-IAGOWNOFSA-N 440.508 0.484 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1548322387 LIYDNGFIVLMGSE-HNNXBMFYSA-N 446.533 0.830 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)c(F)c2)c1 1570339788 PYRXPTYAMZMYOW-UHFFFAOYSA-N 425.463 0.696 30 20 ICED COc1ccc([C@H]2[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC(=O)N2C)cc1 1646148942 XOLFBKXWODUUKN-WMZOPIPTSA-N 425.445 0.555 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696057700 PZDAIAOESHLXBK-MOPGFXCFSA-N 432.460 0.525 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCOCC2)cc1 1712880575 LZOQNKPRSVQDRN-UHFFFAOYSA-N 439.520 0.777 30 20 ICED CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCOC1 1748496798 SZASQNZFRKPSSX-LJQANCHMSA-N 434.522 0.608 30 20 ICED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1 1760623542 WXNSYXYYZMHDMC-GOSISDBHSA-N 428.541 0.523 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064822 OGEYIHYPSPEATJ-QHCPKHFHSA-N 430.549 0.797 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1779103549 WPBOICNUONEZED-HVHIPWAVSA-N 433.509 0.955 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1782466645 NIDVFQYVLQFTMA-TXTKFYIRSA-N 443.548 0.937 30 20 ICED CCOC(=O)N(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)Cc1ccco1 1783567207 ISHJVVLLJAMNDD-NRFANRHFSA-N 447.444 0.156 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604192 APHHVRBKZUMWPI-KNTRFNDTSA-N 447.557 0.761 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccc(OC)cc3)C[C@@H]21 1784475157 VYBKFLYDONHFES-DAEMFEISSA-N 430.501 0.747 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784503545 DALZTNZWPYMEOG-AUEKSGIPSA-N 440.493 0.052 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCn4ccnn4)C3)C2)ccc1F 1784532288 BJFZZHCRIBAFJV-NRFANRHFSA-N 426.452 0.752 30 20 ICED Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784700814 ARYRNMDUNAEHAP-BZSNNMDCSA-N 430.553 0.912 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786726870 FLWKFINGUVHWIJ-LWYYNNOASA-N 436.597 0.177 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)cc1 1792558785 PHXNGBPSWFAQHM-FEJSZKPUSA-N 436.468 0.005 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1793343192 OAJLLOCBVBUXKJ-YIYPIFLZSA-N 428.411 0.680 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H]1CNc2ccccc2C1 1795651036 BQKTXUGUHFHVLD-LZNNFJEDSA-N 425.485 0.729 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2 1797811774 VPTHZUBPTQXUOR-CCLIXHCOSA-N 434.468 0.882 30 20 ICED Cn1ccc(=O)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815555 RUZWJXUHGFFHMN-TYGXFAMMSA-N 432.477 0.118 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](S)C(C)C)C3)cn2[nH]cnc(=O)c12 1798459910 QLUFNHLFVSJPNT-YXPYIKCWSA-N 433.534 0.489 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CNC(C)=O)C3)c1 1798573741 IRASMYYYPOURGP-OPVJXMOQSA-N 442.516 0.932 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1799395475 CBPSETWXUUSIBZ-JFILPPLUSA-N 442.563 0.237 30 20 ICED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O)NC(=O)OC(C)(C)C 1800754345 JKVDKFYCWYCAMV-XLKGFZLASA-N 425.526 0.816 30 20 ICED 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 1800985876 PKMYNRWFFSBVSF-ZIEJDFEHSA-N 427.548 0.148 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1800987247 CXRQIPPNUOSISI-LBZHBENTSA-N 443.566 0.578 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)N(C)C)C3)cc1C#N 1801848909 MAHUSLXKAPNHSU-IZZQQSIFSA-N 428.489 0.637 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C#CC3CC3)[C@H]2c2cccnc2)c(=O)nc1O 1803459471 SHDKDULZIHCBDR-WIYYLYMNSA-N 435.484 0.772 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1808439753 CEYMCRKXKWGNCQ-QFBILLFUSA-N 437.518 0.641 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1808869088 KMFSXOLBIUCMSR-UWWQBHOKSA-N 447.492 0.431 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3nc(CO)[nH]c3c1)CC2 1825667009 FXEOGAMHPYIABI-NSHDSACASA-N 439.453 0.826 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(N)=O)sc3C2)c1 1828324599 QLGCZYQFHFSGGD-LBPRGKRZSA-N 428.474 0.917 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831103948 OLKGUWKWHKBFHD-RURPWVQCSA-N 441.532 0.721 30 20 ICED CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1831106151 YQJQILQDDDNYFV-HSZRJFAPSA-N 449.596 0.457 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccc(C)cc34)C2)C1 1831392093 BKMYBIFOJNPFPF-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1831402420 YLUZSMWNPAPGRM-MONBJTKQSA-N 427.501 0.518 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C(F)(F)F 1831697259 SALYPVUHYJLHPL-SFHVURJKSA-N 435.443 0.724 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c1 1831736969 PCHINICUYKOGFJ-OAQYLSRUSA-N 441.419 0.577 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)cn3)CC2)CC1 1833075898 FUAUSZFOMSYGGH-WAYWQWQTSA-N 441.532 0.831 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Nc3cnccn3)CC2)CC1 1833468285 QXWFUUYOVHLTJR-MSOLQXFVSA-N 442.564 0.887 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508114 CCFPGILDXMCWHR-SFHVURJKSA-N 426.420 0.767 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833759910 BFPSDFXZIAADPI-INIZCTEOSA-N 437.566 0.075 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnnc4)CCO3)C2)c1 1834031215 JFLNQWTYCQLUJC-OAQYLSRUSA-N 425.420 0.871 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncnc2)CCO3)c1 1834307084 XJSYRXLMCVZVEV-JOCHJYFZSA-N 437.456 0.741 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1834346091 CIMGPTKIULAVQL-JOCHJYFZSA-N 431.489 0.752 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834953002 YOCINSBSVHJHNP-DGEAWOGYSA-N 444.532 0.994 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1835101541 FOSYADIXYXTRAA-XMMPIXPASA-N 439.512 0.507 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)ccn1 1837564219 CUSMOGWPZYHJIE-YVABFXQFSA-N 442.472 0.872 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1837665383 MUXRFRUIFPZBON-HSZRJFAPSA-N 436.597 0.683 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1838301989 PBKRTWQRDKNQOD-CQSZACIVSA-N 449.577 0.947 30 20 ICED Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)s1 1838731902 CLVYBJVKYJEPLL-HXUWFJFHSA-N 444.517 0.749 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838738100 PYMJWVZOWUNXMY-NRFANRHFSA-N 425.445 0.674 30 20 ICED CCCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839013374 MOHVZHWMALGNFM-JOCHJYFZSA-N 430.457 0.633 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688836 RYGUDOPQSZCGHS-DNVCBOLYSA-N 426.416 0.866 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1 1839866677 IHRXTCTXTYKVAA-CVDCTZTESA-N 440.500 0.083 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1 1840714161 WHRPJFVRKNMVCB-AOMKIAJQSA-N 428.489 0.472 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882079 DURSKBRFQXJUCC-IIBYNOLFSA-N 426.510 0.623 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842826909 OSRYOVBEYFQRJO-QGZVFWFLSA-N 434.537 0.439 30 20 ICED C=CCn1c(C)cc(C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 16161779 JUBWBAUGCVKPII-UHFFFAOYSA-N 427.461 0.854 30 20 ICED O=S(=O)(/N=C1/CCCN1)c1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 60165900 OUAVMWUTDVBYGE-UHFFFAOYSA-N 447.502 0.934 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 105264376 WDKQKLSYBMGYBC-UHFFFAOYSA-N 434.971 0.468 30 20 ICED CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409481539 AWSJELBZACSPGH-GOSISDBHSA-N 437.522 0.111 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 409594021 KEFQNVTWYMOZIC-HOCLYGCPSA-N 430.552 0.570 30 20 ICED Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 436473627 JMBBTHLNSYQXMV-UHFFFAOYSA-N 445.457 0.470 30 20 ICED CNC(=O)Cn1cnc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 437387248 RARCOHQTEKYBLT-UHFFFAOYSA-N 449.446 1.202 30 20 ICED C=CCN1CCC(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 439128111 CZSDAANGHXBTPJ-UHFFFAOYSA-N 427.493 0.797 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1=O 440283581 ORKOSDRBBWSAMD-CQSZACIVSA-N 442.925 0.774 30 20 ICED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)cc2)CC1 441580062 KLUXOIGQPXAKGC-UHFFFAOYSA-N 437.504 1.577 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)cn1 460619751 QDNIGXRNHLZKSG-UHFFFAOYSA-N 439.382 0.902 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C 478845663 WCZFJXYRRCVTEL-UHFFFAOYSA-N 437.525 0.597 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)c1ccc(C#N)nc1)NS(=O)(=O)c1ccc(C#N)nc1 486612619 SBMFRIRBRVBTBY-SFHVURJKSA-N 448.530 0.844 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F 489478474 NSFHLADQDKJDSH-UHFFFAOYSA-N 428.423 0.862 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(Cl)c1 490440738 CTVHNGCGHIVNFJ-UHFFFAOYSA-N 441.879 0.795 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(C)c1 502011692 RZRGKIWMLOBNSW-UHFFFAOYSA-N 437.525 0.515 30 20 ICED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 502655021 FKXJEXCLPVOSOA-CQSZACIVSA-N 448.277 0.579 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C(=O)OC)C1 509381196 SKDBUIVGZCJRCO-JGGQBBKZSA-N 437.474 0.178 30 20 ICED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 520195002 PDZXRIZKOGMBBE-GOEBONIOSA-N 447.521 0.224 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 525095029 VMRUEQFIMWNDDR-UHFFFAOYSA-N 433.490 0.459 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 526038232 NWCHDGJHXDDGMQ-UHFFFAOYSA-N 445.545 0.086 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(N)=O 527279840 FVTWSNVJUGGRIY-UHFFFAOYSA-N 438.509 0.784 30 20 ICED CN(C)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 540560342 MXCNNEYTQPDZRK-HXUWFJFHSA-N 430.528 0.240 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc4c3OCCCO4)CC2)c1C#N 551611519 IIDJBJAKNSWBRO-UHFFFAOYSA-N 438.488 0.727 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)n1 554354667 MOBCXRHADAGCTO-MOPGFXCFSA-N 426.521 0.361 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 557446338 MQVCEPUKEOTAQH-RTBURBONSA-N 426.521 0.361 30 20 ICED C[C@@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 561500091 BDPBSIONUJWILE-INIZCTEOSA-N 436.534 0.776 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 563614179 UFMBVEHCTXFDHJ-HNNXBMFYSA-N 443.460 0.767 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cncc(C#N)c1 577327187 YGNNGVNLUHFVIU-QGZVFWFLSA-N 432.502 0.820 30 20 ICED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)Nc1ccn(CCC#N)n1 579861170 GRQMGZMSNLTMLZ-UHFFFAOYSA-N 434.478 1.023 30 20 ICED COc1cc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)cc(OC)c1 588127493 JFWQZJAUZIYGOA-SFHVURJKSA-N 429.521 0.498 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119275 IREIPGGNXVDXQD-UHFFFAOYSA-N 447.582 0.997 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCS(=O)(=O)CC1 732910259 NIVNSVHUCOPNEC-MRXNPFEDSA-N 430.486 0.369 30 20 ICED COc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732911018 WPCMPHSJJXFAKX-OAHLLOKOSA-N 449.514 0.334 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)C1=O 736129457 LXPORBDUJUVCKC-STQMWFEESA-N 438.481 0.840 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nc1 746121530 LKHFYJHVQBCHJJ-AWEZNQCLSA-N 428.474 0.182 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCCS1(=O)=O 747202301 LKSNYTMJQTYXGS-UHFFFAOYSA-N 442.563 0.437 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1CCOC 755627196 JYMISUPWLODSPR-OAHLLOKOSA-N 448.570 0.893 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 756073625 QHXREQAVJNKNFL-ZDHNHOGNSA-N 443.551 0.784 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 778700119 JBEDGEQKUBPNSQ-UHFFFAOYSA-N 436.459 0.139 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780297147 IVIIVJKDWIUCRV-UHFFFAOYSA-N 447.495 0.732 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)c(F)c1 787241748 FJIGDVRJNJCDQF-UHFFFAOYSA-N 434.435 0.638 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](S(C)(=O)=O)C1 800632846 CTLMDPNGBJEKAP-ZFWWWQNUSA-N 427.548 0.785 30 20 ICED C[C@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 801807201 DHGZIIPSWHALCF-CYBMUJFWSA-N 426.451 0.945 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 806911887 RPUPGXRNEFDORP-UHFFFAOYSA-N 448.364 0.873 30 20 ICED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 807828374 MTFWTONGBYRMOH-MRXNPFEDSA-N 442.520 0.975 30 20 ICED C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 809600321 FWPLCVFRBJJYCA-LJQANCHMSA-N 428.555 0.730 30 20 ICED COc1ccc(Cn2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1 837968218 WTRUNMMUYKRBSF-UHFFFAOYSA-N 437.525 0.728 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1C 838894689 KGXJFYGXADSZLK-UHFFFAOYSA-N 437.525 0.515 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)ccc1F 918583169 WODFMIGDDPUWDH-UHFFFAOYSA-N 433.527 0.834 30 20 ICED CCOC(=O)C1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919319197 WMJJYQABEGGXCG-UHFFFAOYSA-N 436.486 0.818 30 20 ICED C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1288714662 LLCUZGCDANVHSG-QGZVFWFLSA-N 439.520 0.633 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)N(C)C 1360237673 MBMPJUUPPDUUEI-UHFFFAOYSA-N 442.499 0.842 30 20 ICED N#CC1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCOCC1 1440787997 ZQTOWMCYEBAMHL-UHFFFAOYSA-N 449.533 0.071 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1463729852 NMQYWHLREIRKKJ-OAHLLOKOSA-N 430.552 0.800 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1510287818 CPXCIIOGELHZQH-LJQANCHMSA-N 436.538 0.194 30 20 ICED CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517599651 RYNKMMXQFCSAHJ-QGZVFWFLSA-N 441.540 0.896 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1518915020 JCAVZVSSNXGHFO-APWZRJJASA-N 440.504 0.916 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1554504014 QRMMVISJKIHUDQ-YWZLYKJASA-N 446.533 0.750 30 20 ICED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1611124606 NRIYXBGWTSUZJK-QZTJIDSGSA-N 434.518 0.281 30 20 ICED Cn1cc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1624983730 XHQBHZRWUWZIHC-AEFFLSMTSA-N 441.513 0.611 30 20 ICED Cc1oc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(C#N)c1C 1653604096 WWDCFRGMOZNVGV-GFCCVEGCSA-N 431.540 0.685 30 20 ICED CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1696571790 VBVWJRACBLPXDF-KRWDZBQOSA-N 429.525 0.920 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711020258 QKPBSUFAMCLXDK-DLBZAZTESA-N 437.570 0.588 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1712454319 LRBWIJNYXHISOR-INIZCTEOSA-N 438.510 0.619 30 20 ICED CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1750199205 ODNFOJMBEYVARH-IRXDYDNUSA-N 444.517 0.551 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1764581009 KHZCTZMEUSQRLG-KRWDZBQOSA-N 441.492 0.206 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1768530847 VKGOHBOPPZJQHP-PBHICJAKSA-N 448.505 0.411 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1769197020 YLNLDFGVWOUTGZ-SFHVURJKSA-N 437.504 0.638 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740072 QBAHFZNCDUPNQD-VABOSUEISA-N 442.476 0.702 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CSc2nc[nH]n2)C3)c1 1780182071 FFXLPQRHZAHASJ-DNVCBOLYSA-N 429.506 0.924 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697615 OSLBJENMCBEIRX-UGKGYDQZSA-N 443.456 0.497 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1)C(F)(F)F 1781110253 NKYUTFRKIBNQOV-GOSISDBHSA-N 430.471 0.715 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300941 HLOGCMPWVCXPEL-QRQCRPRQSA-N 428.464 0.760 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1781965811 XTXNKNXQZGHBEA-HXOBKFHXSA-N 443.523 0.777 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1783056073 MFQNNJJRBSDALC-UZUQRXQVSA-N 447.532 0.723 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1783533050 MRMZHENBGHRWRC-QHWWWDCYSA-N 440.500 0.237 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(Cc3ccccn3)CC1)CCO2 1783558280 WLPOTLPDUSZKKR-QHCPKHFHSA-N 440.500 0.212 30 20 ICED CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783566504 CSRYRHGWNSRSJI-HXUWFJFHSA-N 430.417 0.192 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1784116018 HHIWONPYTZGRAX-OAQYLSRUSA-N 442.859 0.580 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1784193261 OJLOZMGCTNOBKO-VGOFRKELSA-N 437.537 0.896 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784383157 SGGNMHSMXFWETM-OKYOBFRVSA-N 449.548 0.919 30 20 ICED COC[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 1787468474 GSPQQAVBQFINGH-NXOAAHMSSA-N 438.525 0.810 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788489694 JQLPNMULDIGSNZ-UUSXGWBYSA-N 426.583 0.597 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 1788606226 ADEXAUGYGWOZGL-KMZUPGTBSA-N 442.564 0.966 30 20 ICED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)c1=O 1788676906 WMWMUMPOTKAITG-XZGADFANSA-N 426.473 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)s3)C[C@@H]21 1789890583 UYOWQQHDBOQBKX-JYJNAYRXSA-N 436.534 0.878 30 20 ICED 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 1791260932 DIBBNFVCWNUEGT-JMUUTAKRSA-N 436.534 0.291 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556369 IDUVRSKATTWFOQ-XUMLPFHTSA-N 448.545 0.018 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794970826 WBWZPOVDOYWSDN-JLVBRIDZSA-N 429.521 0.822 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795299482 MGAIKNSFGAOCNX-HGKCTWBKSA-N 433.530 0.990 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795461550 JHDABGUBZNZQEN-QKPAOTATSA-N 449.556 0.695 30 20 ICED 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(C)(=O)=O 1795793257 IPMFAUOTGXZAOE-QKPAOTATSA-N 441.550 0.586 30 20 ICED C=CCC(=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 1797120811 LQDGDLVOBLAPJJ-FSNPWBFUSA-N 437.537 0.770 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2c(c1)CNC2=O 1797549788 XMTWJKUWANOZEQ-FABZHEBTSA-N 439.516 0.605 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2 1797815496 QTKLOOVNLRDARU-DNNVRAESSA-N 437.884 0.862 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1799304408 MNZUQUDSYBLLQF-JLVBRIDZSA-N 447.488 0.811 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)c(C(F)(F)F)n1 1799409059 ZCSVTMLLJCFMAH-DRXBFXEBSA-N 449.393 0.467 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)cc1 1802107539 MKMNOIXTTGSYDO-JLVBRIDZSA-N 444.538 0.622 30 20 ICED 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)C1)C2 1802126585 LPZRKKVDESIJAV-CYGHRXIMSA-N 433.505 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccc(=O)n2C)[C@H]1c1cccnc1 1802475943 CTLOYIQJXJZYJW-WLJPSVCKSA-N 449.511 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N(C)C(C)=O)[C@H]1c1cccnc1 1802483650 QOFIQOYCLUBNCS-GPRKOQLKSA-N 441.532 0.813 30 20 ICED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1803450117 BZQDZQOXBQPQNG-DENIHFKCSA-N 444.557 0.926 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCNC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1804461132 CINOZRRKMTVESS-IIBYNOLFSA-N 437.456 0.324 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)O 1810390994 ZHKQHVDCYVUFGK-KZIFJGCASA-N 441.488 0.862 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812934318 YTKCKIGOTYUYJS-PGRDOPGGSA-N 447.488 0.245 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815769980 DJDCGZVOJSWXBN-BNOWGMLFSA-N 433.469 0.801 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819556232 BHIDQFAJXRWSML-GXFFZTMASA-N 433.538 0.961 30 20 ICED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)cc3)sc2C1)C(=O)C(=O)O 1822171418 LTAUNQQNZUCBEP-CYBMUJFWSA-N 441.469 0.784 30 20 ICED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322780 GJSLLNSIERXMGU-ZDUSSCGKSA-N 428.580 0.261 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322865 KMODAKOZCHADQL-BLLLJJGKSA-N 430.596 0.296 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826216353 NUAWQWQDINXUTP-QWHCGFSZSA-N 432.550 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829502966 YZBDGMBNQCITOD-RMUOZIPVSA-N 448.907 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1829764408 LEGXIQZOOJBWNA-QJKPHDSHSA-N 446.504 0.149 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)CCO2 1831815711 MIWJNADDRAVKCT-QFIPXVFZSA-N 448.520 0.616 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4COc5ccccc5O4)CCO3)C2)CC1 1832494090 UFSTXKNNTCJDRS-XMSQKQJNSA-N 427.457 0.587 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3ncccn3)CC2)CC1 1833073865 LQFJEHNNNZDEPH-PLNGDYQASA-N 440.548 0.449 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833450369 FDMQNHDGEQUXLI-VGOFRKELSA-N 432.521 0.746 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833470797 SJESSLFJZFTGRO-UHFFFAOYSA-N 445.564 0.798 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530918 PEAICZGMLORSEB-DKWNYTONSA-N 439.494 0.137 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833767145 UJFIGQWAVAKCFB-HTAPYJJXSA-N 433.505 0.733 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccn2)CCO3)c1 1833976060 FSMHMQCTIKHTEB-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)cn3)CC2)CC1 1834335687 LTJYCAMBXOBPHS-WAYWQWQTSA-N 441.532 0.831 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834721780 RRJRKXUOEONMMG-MRXNPFEDSA-N 427.505 0.542 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2)c1ccc(O)cc1 1835534277 ZZWRWWONRBHHFS-NRYAXDJKSA-N 443.544 0.940 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835729737 LHOWHSLCCNKEFS-XQNSMLJCSA-N 448.568 0.482 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837287238 PBJVELAALOHQIE-OTXOCUIESA-N 438.528 0.968 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837397141 RLTIKHAZLZTDJK-HTAPYJJXSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827046 NVBDHOKXIUJGAJ-YWZLYKJASA-N 436.465 0.566 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1839224870 QSAGOBHOCSKVNM-UTKZUKDTSA-N 433.509 0.667 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839275053 IMUJZRHVLDVENU-KPZWWZAWSA-N 425.463 0.689 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361531 PWVLUVLQKITFNM-ZHRRBRCNSA-N 428.489 0.334 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1)C(F)(F)F 1839894437 CAUKPOGIGWAJRO-IAGOWNOFSA-N 438.399 0.177 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)ccn3)C2)C1 1840042237 HZQWOMFTFHZEFG-GOSISDBHSA-N 441.362 0.258 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840176549 FVPWAJAACWAQOO-YTQUADARSA-N 432.539 0.013 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840234162 JCEXJNIOUFVZGB-PGRDOPGGSA-N 438.521 0.605 30 20 ICED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)ccc1F 1843414300 YZDWAGQUXTXYEL-UHFFFAOYSA-N 448.520 0.869 30 20 ICED 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]1CNC(=O)O1 1847852540 NXVVXBSWRQWYFQ-HQICUJGSSA-N 434.493 0.766 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O 440243709 NXLGNIUSFQZQAT-KRWDZBQOSA-N 436.534 0.899 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 463696059 BDZYWJZDUFHZMB-UHFFFAOYSA-N 428.470 0.617 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1=O 475660291 HWMJIQIXSMNWJZ-GFCCVEGCSA-N 438.362 0.904 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1 478843810 UZMNMRNETYHRAX-HNNXBMFYSA-N 442.493 0.497 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 499042545 FYTOYSZWSZVQIM-RTBURBONSA-N 432.546 0.484 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1=O 499045541 NJSNFZUVJSMFAF-MRXNPFEDSA-N 434.880 0.806 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 500203892 AQZILMCVOLKQBM-ZWKOTPCHSA-N 441.532 0.716 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCCC(=O)OC 501761921 JWIHRTGPAZXMGU-UHFFFAOYSA-N 443.525 0.437 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(C(=O)CO)CC1)CCCC2 503190410 AKSGTKBMPJDPQY-MRXNPFEDSA-N 429.521 0.493 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2cccnc2)c1=O 505631289 CNZOQIVMROKWJF-UHFFFAOYSA-N 436.541 0.617 30 20 ICED Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508332384 MXSOHXBDYCMBJN-UHFFFAOYSA-N 433.494 0.242 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)C1=O 513498329 HDGUUJGMBYOQCA-XJKSGUPXSA-N 430.436 0.971 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 518425633 SXEZPZDJCNTAEW-MRXNPFEDSA-N 445.563 0.369 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 524749223 UPRZROIGLFKIFZ-UHFFFAOYSA-N 426.498 0.973 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1C1CC1 531815471 WKJPRENKRZQWEK-GFCCVEGCSA-N 427.482 0.434 30 20 ICED CNCCCc1n[nH]c(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1C#N 535503639 IJTJAXPOFHKEBN-UHFFFAOYSA-N 437.551 0.751 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(=O)NC)C3)nnc12 543831579 PWPITMLIKRODGM-HNNXBMFYSA-N 442.501 0.296 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cc(OC)ccc1Cl 551921076 RUIOUVZBPHBSOC-UHFFFAOYSA-N 443.916 0.852 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)CN1CCOCC1 552882108 CWKVFKCBKXRKND-MRXNPFEDSA-N 433.940 0.945 30 20 ICED CCCCn1c(CCC(=O)NCC(=O)NCC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 553423673 YSBDFIJUDBHFDJ-UHFFFAOYSA-N 448.549 0.775 30 20 ICED C=CCCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 565263076 USCOHAQLKQDTEY-KRWDZBQOSA-N 432.525 0.107 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032569 RDASKDLDUHAGPG-ZDUSSCGKSA-N 431.478 0.006 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)CC2)n1 577204894 RVPCECADJKPVPH-QGZVFWFLSA-N 436.447 0.663 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 578409399 CTRQCNOVPLJMIH-UHFFFAOYSA-N 440.525 0.854 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)c1C#N 589614788 HPNAKBXFQSNDGB-QGZVFWFLSA-N 433.582 0.561 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 604270058 OBUWRJDPYLMRTA-UHFFFAOYSA-N 448.495 0.696 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 609486250 GSFJVPCNYIQDGZ-NRFANRHFSA-N 447.605 0.826 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 609957695 PLPLNSFTSHNOOS-UHFFFAOYSA-N 446.485 0.435 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)s1 610784071 UKQGBOGXIFWTKA-UHFFFAOYSA-N 448.570 0.343 30 20 ICED CN(C)C(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611428981 QUHGJTWUPMIIDJ-FQEVSTJZSA-N 430.528 0.240 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCn2c(S)nc3ccccc3c2=O)CC1 733149555 KFWOXHREVNQZJR-UHFFFAOYSA-N 427.530 0.359 30 20 ICED CC(C)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733157163 QBMGOVLXQVLSRT-SFHVURJKSA-N 435.594 0.894 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 736074620 NQIZILJGIFDPNX-UHFFFAOYSA-N 438.937 0.387 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 748042526 LWRYHALBPRKMNN-GOEBONIOSA-N 443.525 0.634 30 20 ICED C[C@@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)CCO1 748601623 LNFDKDCQOMBWEB-CYBMUJFWSA-N 443.550 0.679 30 20 ICED C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NC1(C#N)CCCCC1 753656053 WWCNIXPWDATLGZ-KBPBESRZSA-N 438.506 0.426 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1C 754509527 BNJBZEPVUKNTMP-VGLIXDPASA-N 435.550 0.991 30 20 ICED COC(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769641801 IFTUWERWSOWGPT-UHFFFAOYSA-N 431.426 0.805 30 20 ICED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCN1C 785282769 DETIJZKBWMJLLP-MJXADZCFSA-N 435.550 0.989 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)n(C)c1 787053719 RKJAOPIBPRNCJW-OAHLLOKOSA-N 433.446 0.822 30 20 ICED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789810049 IYRLZMCPOXUZPT-MOUPGTPYSA-N 438.506 0.094 30 20 ICED Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 798068538 ORQVZVPDHFOTPB-UHFFFAOYSA-N 445.457 0.246 30 20 ICED COC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 802626113 KQICWYQZVIBSPM-XQEBGNCTSA-N 440.522 0.342 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)cn1 807935244 DUHVIEPRDZFYMS-AWEZNQCLSA-N 440.493 0.982 30 20 ICED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 816757738 ZYPBXXKIXRLLAJ-TZMCWYRMSA-N 431.898 0.907 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2cc(CO)nn2)C1 818147081 FWIARUATFIRXED-HNNXBMFYSA-N 432.506 0.453 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C3CC3)c2=O)cn1 839380143 XPVLASAYHIKLIQ-UHFFFAOYSA-N 449.492 0.891 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOC 916198113 CPRAGIASAYHKMH-UHFFFAOYSA-N 430.486 0.884 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1Cl 916939175 FTNWAWIOANPXPX-LLVKDONJSA-N 444.835 0.443 30 20 ICED CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918305197 QMNLIUBIUZRMPC-OQKWZONESA-N 432.506 0.830 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1117679224 ULVKRAISXOJSAF-HNNXBMFYSA-N 444.517 0.763 30 20 ICED CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1302614481 WYRHVJMSGSSCSP-GJZGRUSLSA-N 441.579 0.821 30 20 ICED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1504275762 NPIACFAVYXLQMQ-GDBMZVCRSA-N 449.537 0.659 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1518916306 LYYMIKSONWRDPM-QAPCUYQASA-N 448.549 0.948 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1519167000 ZZPSSOCTXVLDKN-YJBOKZPZSA-N 427.527 0.352 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1596043665 SQFITZNCXPNDCX-FMKPAKJESA-N 425.559 0.743 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1705679371 KWOOSPXSDIYRHW-UHFFFAOYSA-N 441.330 0.718 30 20 ICED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1710278543 WXPLBOFNTYTXHR-IERDGZPVSA-N 444.561 0.897 30 20 ICED 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C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794207489 LYUTVGJCVPHVNM-BPFMKURSSA-N 433.509 0.638 30 20 ICED CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cc1C 1798232337 YUZPMGLREKIRKW-PDXWDTESSA-N 433.509 0.944 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1798394610 NYCPIWAXFMXDCY-BASYENTBSA-N 429.521 0.842 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798492643 LYRDOMKLGZJAIF-FHKWWDDNSA-N 429.539 0.834 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c1 1798577583 YZNBZQKQKIEZBR-XEMDLRDOSA-N 442.472 0.612 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(OC)c1)C2 1798641322 PYZZLOQPHSKEHW-AJYBTWMASA-N 428.489 0.970 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694719 GEOJCQWKVUDCJC-FSNPWBFUSA-N 426.473 0.845 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800109889 UZZVVBHFOWLEAO-HAFSJTIUSA-N 436.534 0.936 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(-c3cccnc3)n1)C2 1800776077 RDZASOOCDCBPQH-ZSBFGKGUSA-N 426.454 0.496 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801007037 QPSRETVBVCZTEE-FHTPNYMGSA-N 447.463 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)/C=C(\C)NC(C)=O)[C@H]1c1cccnc1 1802489484 JUVXWEKVXGBHFK-SSXGZOAKSA-N 439.516 0.986 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)CCOCCOCCOCCOC)[C@@H]1c1cccnc1 1808821008 VPJMBSICISNSLL-REWPJTCUSA-N 447.532 0.807 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810246189 UIEQVEFJWFEJDA-TXPKVOOTSA-N 443.504 0.212 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)[C@@H](N)CN)[C@@H]3c3cccnc3)c2c1 1812070805 VVGMOHINVDLRNJ-OXFYSEKESA-N 432.488 0.435 30 20 ICED 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20 ICED Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835672720 IVOGSYYPIYPALV-QFIPXVFZSA-N 429.521 0.742 30 20 ICED CCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673209 YJTOFTIMBBKWSH-OAQYLSRUSA-N 433.509 0.589 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835761982 ZFCCUSSJXARGGS-IERDGZPVSA-N 425.526 0.498 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797077 IJNYCSOOVXMAKJ-SCLBCKFNSA-N 425.511 0.596 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846510 JQJWJAPRSNXVCO-ACJLOTCBSA-N 425.511 0.596 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4sccn34)CC2)CC1 1836075818 GJDCEQYWYLLUSA-UHFFFAOYSA-N 428.518 0.855 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836784886 UKNRAJCJARGBPH-MWTRTKDXSA-N 441.484 0.290 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837291690 OQBGFFWLEDXCSB-GOTSBHOMSA-N 439.468 0.591 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837524367 GPPOVPZTLRBMNR-KFHPEUNCSA-N 439.494 0.137 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837526595 VBQMQBYLTPSTKJ-LQWCGFJLSA-N 447.492 0.005 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837845673 HEOJLDXOOVUPGU-HSZRJFAPSA-N 445.491 0.989 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838022995 HGJJUDBBFSZSJW-AWEZNQCLSA-N 443.508 0.637 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420047 JPTMUBOWFLGMIE-BDNZGDGKSA-N 445.447 0.887 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810561 DGLZFLQLWJHGBU-HTAPYJJXSA-N 435.521 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1840042742 MXCNZYAMWUDWLC-OAQYLSRUSA-N 446.887 0.916 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902224 ACTTYFMNIONSHC-VWKPWSFCSA-N 435.546 0.580 30 20 ICED NC(=O)c1nccnc1C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1844595694 KRELKKKFFRSYGA-SNAWJCMRSA-N 425.470 0.893 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)Nc2ccc(C#N)cc2)c1 10777326 LNZKZNBTCLLCPG-UHFFFAOYSA-N 446.485 0.932 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 18038863 GSKOZRATWGSEFP-UHFFFAOYSA-N 437.481 0.801 30 20 ICED CN(C)S(=O)(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 27432978 RPDBMBAPZLVMLX-UHFFFAOYSA-N 432.468 0.597 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CCOCC2)cc1 439465938 UAIZUMXJHFOLCK-UHFFFAOYSA-N 425.507 0.337 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1=O 440283578 ORKOSDRBBWSAMD-AWEZNQCLSA-N 442.925 0.774 30 20 ICED C[C@]1(C2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)NC(=O)NC1=O 441213899 ZMDYQOPGNJGBJH-LJQANCHMSA-N 435.387 0.935 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461743185 SFLCBMDNSLXQTN-CYBMUJFWSA-N 428.470 0.614 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 462102522 CRZPSWPMJNRZFY-INIZCTEOSA-N 447.521 1.057 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1C#N 472159519 QTAGBUVFKCUDEL-UHFFFAOYSA-N 427.421 0.998 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 488987530 UDJPVZMGQHJAJM-CQSZACIVSA-N 440.477 0.942 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc2)CC1 489011001 KKYBEZZHSZFEMC-QGZVFWFLSA-N 428.518 0.942 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 500543654 GEGKPEYNPUMSGD-UHFFFAOYSA-N 444.469 0.116 30 20 ICED Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c(C)c1C 511906484 PLSUFSLZKVLTIE-UHFFFAOYSA-N 435.550 0.884 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1 514943268 WINGYQWRMZQYQR-UHFFFAOYSA-N 446.467 0.868 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)c3cc(S(N)(=O)=O)cn3C)c(C#N)c2N)cc1 530748423 DXLKKHGYPONSMZ-UHFFFAOYSA-N 441.517 0.983 30 20 ICED CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)c1ccc(C#N)cc1 533248332 VZICNWMVBCRQRL-LJQANCHMSA-N 427.549 0.944 30 20 ICED COC(=O)CN(CCN1CCOCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 533296371 PPIUEJQQYXCJPP-UHFFFAOYSA-N 426.477 0.490 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 535551385 UIEONFUMWNGFOX-FFZOFVMBSA-N 442.541 0.977 30 20 ICED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 559682231 SFIPYHPQDMSOTN-UHFFFAOYSA-N 441.469 0.739 30 20 ICED CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 563667489 POCXEBQSDXWVCL-UHFFFAOYSA-N 436.516 0.859 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)N(c4ccccc4)C3=O)CC2)c1C#N 570191598 PMYWCUFJGJBZOJ-KXBFYZLASA-N 449.515 0.559 30 20 ICED CC(C)NC(=O)CN(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 582982375 REFRRYUOGROIMG-UHFFFAOYSA-N 429.500 0.970 30 20 ICED N#Cc1ccc(S(=O)(=O)CCNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 584147943 YDONIURYUZSJAW-UHFFFAOYSA-N 426.498 0.694 30 20 ICED COc1ccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)cc1 585685244 HTPCQSUVXSIGID-HXUWFJFHSA-N 429.521 0.289 30 20 ICED CN(c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O 589411231 NIQICCSDQJVJCH-UHFFFAOYSA-N 436.515 0.549 30 20 ICED COc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)ccc1N1CCCC1=O 603697414 OMAKHPZHIWKYMQ-UHFFFAOYSA-N 425.449 0.686 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)Cn3cc(Br)c(O)nc3=O)CC2)nc1 608969650 FYWAUWSQUZPBCE-UHFFFAOYSA-N 433.266 0.763 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 670228939 HQAHNQDCPOIUNS-UHFFFAOYSA-N 434.518 0.636 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 728534495 NHNIZNJSWWFXRG-OTWHNJEPSA-N 428.533 0.246 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728719465 UDRGWWXCXFXFLS-HOCLYGCPSA-N 443.909 0.769 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 729256711 DXFPFWYTCUZKIE-UHFFFAOYSA-N 448.476 0.526 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NCc1ccccc1 729540134 QSZXXUXVSBGXCH-AWEZNQCLSA-N 444.469 0.794 30 20 ICED C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 735116937 URZZTFRQXJCEIE-YVHXKWHWSA-N 437.456 0.628 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccc2)CC1 735855869 SGIYUZOXZPKCOE-DQRAZIAOSA-N 425.489 0.758 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H](O)C2CCOCC2)CC1 740973877 ADWXKRXRBUUAMX-SFHVURJKSA-N 444.444 0.786 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742175520 XKPFABDOUDJALM-UHFFFAOYSA-N 431.499 0.588 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1 747021041 NYHFEPWJXLBBGX-HNNXBMFYSA-N 431.474 0.621 30 20 ICED O=C1O[C@H](C(=O)NCC#CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)Cc2ccccc21 753661460 BDTHKIKTJCXXNY-BGYRXZFFSA-N 432.432 0.786 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@H](C#N)C1 756895022 RPPQKASXQMXHCU-UKRRQHHQSA-N 436.490 0.434 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCCO1 763465577 KCRVHSPFBHTRSZ-MRXNPFEDSA-N 430.530 0.083 30 20 ICED C#CCCN1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 776594542 LXUMAQJJIVWIST-GOSISDBHSA-N 434.562 0.675 30 20 ICED CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1=O 780410078 NTEGTIIXTPGYKB-PYCFMQQDSA-N 435.550 0.992 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 783012640 WIGMULMIXOPYKT-UHFFFAOYSA-N 434.562 0.894 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 784850562 YMVRKVPEZWPFPK-MRXNPFEDSA-N 448.545 0.774 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)nn1 812981098 LUXARBJAVRHYOG-MSUUIHNZSA-N 425.405 0.702 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)c1 914879552 LACAFHMHYYJMNJ-UHFFFAOYSA-N 434.562 0.614 30 20 ICED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)c1C 917356026 SERMBEZXBDHTCD-UHFFFAOYSA-N 446.573 0.649 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 917770385 MGWZSKDAIDHUHI-UHFFFAOYSA-N 429.498 0.355 30 20 ICED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918285287 DYAOFGCFLCQRSW-HEHNFIMWSA-N 435.506 0.129 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 919941287 FVZGWCHLQLEKGZ-UHFFFAOYSA-N 425.486 0.838 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)C[C@@H](C)O1 1136206968 VIODPXIRJHJELE-BETUJISGSA-N 428.461 0.948 30 20 ICED Cn1c(N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)c(C#N)c(=O)n(C)c1=O 1187073815 RPTRSUKBRQXCIH-CYBMUJFWSA-N 427.427 0.973 30 20 ICED CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1315696842 MWTRQGYSFAZNBV-XLIONFOSSA-N 431.518 0.982 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H]2CCS(=O)(=O)C2)C1=O 1317818399 WNNKWVPYPQAHNC-GJZGRUSLSA-N 438.531 0.900 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1324462860 GOMNUBDIUJMNBJ-UHFFFAOYSA-N 427.457 0.053 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1509638105 KHCPYEXMJPWFCM-DYVFJYSZSA-N 427.506 0.282 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1618568035 UXDLAHFXLBBIPH-VFNWGFHPSA-N 428.493 0.698 30 20 ICED Cn1cc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(C)(=O)=O)cn1 1711251066 UDZUMQRGBYACAG-UHFFFAOYSA-N 440.533 0.921 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1744052179 YNHOVXFSKJCUPE-HXUWFJFHSA-N 435.504 0.887 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760367383 PYTSABWFUNSCSW-RYUDHWBXSA-N 440.979 0.111 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1766757985 AFPDMEZWHBRIOS-INZIPBBXSA-N 446.533 0.449 30 20 ICED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1=O 1767083019 PWJDDBFTHBNEMN-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1767215204 KFGHBQGZFVNKRQ-IBGZPJMESA-N 441.536 0.736 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1769349823 LQUGCEFPARWSQJ-MRXNPFEDSA-N 443.533 0.713 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465794 FVOVYPDFPYEFLW-KURUZVKSSA-N 425.493 0.645 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OCCCO)cc2)C1 1780065696 ISIHVNFEVNVROC-AUSIDOKSSA-N 444.484 0.663 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203478 VQSSYCLRKWWHOJ-FQEVSTJZSA-N 426.433 0.426 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425240 IGWMSSVWALDZGL-LHFJYWTJSA-N 429.477 0.177 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccc1F 1780758259 KGZZPFYECKMBEC-XMSQKQJNSA-N 427.432 0.842 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1 1781011290 MMSUBCQISDLVEP-WIYYLYMNSA-N 433.530 0.925 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)ncn5)CCO4)C3)c2c1 1782191911 BJSZJYLGFZEVMY-OAQYLSRUSA-N 433.428 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(C)c34)C2)C1 1782512137 ASHZLURGWLOKJR-KSEXMQBYSA-N 437.500 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21 1783531796 XHXZPTRGIHPIBP-MYVDIJBLSA-N 433.896 0.582 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783569742 ZLLJTMAQJASFSR-JOCHJYFZSA-N 449.504 0.551 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccc(O)cc1 1784011499 MCIXYVKVOPITHG-WMZHIEFXSA-N 430.501 0.728 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1784200240 NGWDIMPRDXETOB-QFIPXVFZSA-N 444.557 0.915 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784535438 VPCBMKQSCGUKHO-QXKUPLGCSA-N 435.612 0.248 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785247013 GGNIUBPQKQEWPJ-DWRORGKVSA-N 430.505 0.153 30 20 ICED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c(=O)nc1O 1785353090 FCYPRGOKCQOQRE-QFIPXVFZSA-N 437.456 0.273 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537991 OBPLUSCWMGJGJV-QGZVFWFLSA-N 429.589 0.596 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C(=O)O)ncn4)C[C@@H]32)c1 1789508617 PDCWJOMFAURYSK-BXWFABGCSA-N 435.440 0.954 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1791261333 RCUJUMXFEGUWMW-YEWFCNIMSA-N 434.562 0.830 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791447222 ZUMQBVNNYHMLGX-QGZVFWFLSA-N 430.413 0.703 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780288 QSXOAVOOQBBAJG-UEUMHJPSSA-N 427.501 0.169 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)sc1C 1794176974 NYMJONZJYTUQDI-PFIYSYJPSA-N 432.546 0.750 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)ccc1F 1796346942 AYPNETXLOAEDBA-ZSBFGKGUSA-N 441.419 0.344 30 20 ICED Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796747717 KTNODHBDGUEDDS-DDFAGTSDSA-N 443.245 0.142 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810262 NLVHATZAOPQOBR-IBINEDMASA-N 438.525 0.267 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1799394248 CBSDPMRJFYAZPK-BMFAXAFESA-N 447.536 0.677 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1 1799746821 PNOQRAXYBQSHNJ-YWVIFJGQSA-N 438.419 0.103 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1807047202 CJXJUZBLRNZNCR-ZJOUEHCJSA-N 434.500 0.866 30 20 ICED N#CCCC(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808405689 KSWZIYJAGQALDR-XLIONFOSSA-N 433.534 0.817 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810326338 BMXABIONTSJBDT-UYAOXDASSA-N 426.517 0.874 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815323278 FHALRGOFWOYJGI-SECBINFHSA-N 426.462 0.650 30 20 ICED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)CCC1 1815673530 RDONRZSARUJBPM-MRXNPFEDSA-N 448.549 0.826 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscc3OC)C2)C1 1829766325 RIYLSAAEWJCUPD-NYPGBQQYSA-N 449.529 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1829771011 AXIIUWNFGHDSNU-PYTPGESOSA-N 431.411 0.420 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829919171 MDHCAYHKDHSCFN-BWBSXDKCSA-N 439.509 0.541 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1830981582 YJIFUZCNXFNMRR-VSDLEHRUSA-N 432.525 0.372 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219323 VEVFUVGOORRIIF-JPFXZVHCSA-N 441.484 0.626 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1831392007 ANWAJYDLNDJMQZ-KSFYIVLOSA-N 426.473 0.623 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831491168 YIUWGURYQYRMJC-UZLBHIALSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831492230 JDVJHMNVBIUTIV-FXAWDEMLSA-N 433.534 0.754 30 20 ICED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831849403 VQIJQKOJJVSTPN-KRWDZBQOSA-N 425.493 0.849 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1831997648 DTVWYWSAQLBJST-IIBYNOLFSA-N 441.525 0.559 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197744 BBOXEZFCEBAZEM-TZIWHRDSSA-N 447.561 0.842 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)C1 1832246417 FFTPGIPZMRGUPQ-MRXNPFEDSA-N 438.374 0.764 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833490460 NTZRWYDGSIUJTI-SJLPKXTDSA-N 427.615 0.105 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cnn1C 1834418306 DLAKDRPFJDZURW-HSZRJFAPSA-N 437.500 0.913 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1=O 1835096132 QRLGQVUNIJSUNW-DEOSSOPVSA-N 435.480 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096987 QEOGEBDLUYUTNZ-WWOHXHCDSA-N 437.496 0.353 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C)CCO3)C2)c1 1835386355 HGAQGNBLUZOIDS-JOCHJYFZSA-N 430.505 0.589 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CN)c2ccccc2)CCO3)c1 1835818117 KVZNSWYCYYVGSR-WMZHIEFXSA-N 437.500 0.699 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170352 IPXSWUUQWOEHBD-IBGZPJMESA-N 426.521 0.692 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2Cc4ccccc4CN2)CCO3)c1 1836485291 SQQSDUVWGLXUMA-XUZZJYLKSA-N 449.511 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836643432 DDNNTEGENWRHEZ-HCLVMJGWSA-N 428.485 0.485 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1)C(F)(F)F 1837244221 PVJSTVPQQXDCJY-OLRZCDJHSA-N 426.457 0.720 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1837310845 USVHKHUZOPUEQU-YZUZCNPQSA-N 448.608 0.847 30 20 ICED CN(C)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837328579 QERZYHQXJICWHW-UHFFFAOYSA-N 428.489 0.848 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440931 HLWWABAGTLIYHF-VSIOZEBNSA-N 432.525 0.445 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490395 BVWNFHDCNRMRDO-NTKDMRAZSA-N 448.560 0.715 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837528400 JEYOVDWCLISGSG-BWBSXDKCSA-N 437.493 0.665 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839036172 SVKXZJIGOFLPMI-NRFANRHFSA-N 434.514 0.947 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105497 QCZAKJYAHPAQMR-WAOWUJCRSA-N 442.626 0.033 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1839174538 ILZDIRPGHPGDOB-JOCHJYFZSA-N 438.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541356 AZFGKLWRRGCYTL-SBUREZEXSA-N 438.484 0.738 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1840043949 DKLHNGLITFAMJO-QFIPXVFZSA-N 440.456 0.040 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840108302 ORMJAQVBVUSFDM-ZOCZFRKYSA-N 441.525 0.293 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840182112 WRLFVJPJDBKBKI-MSOLQXFVSA-N 434.436 0.270 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1)C(F)(F)F 1840381133 CVYAGWXDUZIOBM-OAHLLOKOSA-N 435.428 0.472 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1840405573 WMDWYGFGTRTMSZ-WVAINFSASA-N 443.504 0.921 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818922 FXBVESDCXUKDHI-QFIPXVFZSA-N 430.505 0.393 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840819277 AYTJJGXYHQYDJK-JOCHJYFZSA-N 439.472 0.359 30 20 ICED COc1cc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc(OC)c1OC 409498915 FXEVIBFNMBWARX-MRXNPFEDSA-N 440.522 0.299 30 20 ICED N#C[C@H]1CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CCN1Cc1ccccc1 437233910 QUUXLOZAIUBUTN-AWEZNQCLSA-N 426.458 0.835 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1=O 440274209 PWYUPUBDSFAASG-MRXNPFEDSA-N 447.517 0.341 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441941886 MUISSPVMXFPHIA-WBVHZDCISA-N 440.525 0.140 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 460614118 NNFQJBAYCLOZID-UHFFFAOYSA-N 437.504 0.957 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(COC)cc2)c1=O 461373393 NBRGEOSAXZWIBL-HNNXBMFYSA-N 427.526 0.896 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)CC1 461445354 NKSHHCVUIRCUKC-UHFFFAOYSA-N 445.505 0.629 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 467558770 CMAMOUGEOGAESF-CQSZACIVSA-N 443.525 0.898 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 471019176 PAXIDMKVNXWBQK-HNNXBMFYSA-N 425.580 0.783 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C(=O)N(C)C 472883716 PLCSHPWRDBVHPI-UHFFFAOYSA-N 437.504 0.898 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 477371153 DEDLQSQHUSCOGA-UHFFFAOYSA-N 447.561 0.367 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 491113542 SWQGOXWPDGSHSU-UHFFFAOYSA-N 431.493 0.191 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 492747903 LUNHMWCJKHKLBX-KRWDZBQOSA-N 434.518 0.567 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C#N)c1cccc(Br)c1 496308461 XGPRUVZNEUKCJG-AWEZNQCLSA-N 445.339 0.964 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505546319 DVOULCNGWOEPHQ-FJQRLBRJSA-N 443.456 0.944 30 20 ICED C=CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508841484 RSTIYUGAVUCBJA-UHFFFAOYSA-N 430.534 0.624 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513294288 PFIHQVCUPUKLOE-LBPRGKRZSA-N 434.453 0.219 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCCSC 514491434 LVYMSCFUAXTXHI-UHFFFAOYSA-N 431.539 0.699 30 20 ICED COCCN(C(=O)CN1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 514787494 NVDYZOZWDXRZJM-MRXNPFEDSA-N 438.525 0.481 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccsc3)c2=O)cn1 523180218 FLFZLZHRKCJJIP-UHFFFAOYSA-N 443.554 0.833 30 20 ICED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)nn1CCC#N 540816663 XUKZNSZLFPFUJS-IYBDPMFKSA-N 439.542 0.609 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n2)c(F)c1 541134666 ZFLAIRWCCXUTIO-ZIAGYGMSSA-N 431.449 0.857 30 20 ICED CNC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 543847819 IURCQRMMUMDTOZ-HNAYVOBHSA-N 429.521 0.803 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)CC2)n1 565445165 WNQMZTMBEOFSIX-WOJBJXKFSA-N 440.548 0.486 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 604164976 RLKPKAFUBOHIBS-UHFFFAOYSA-N 429.458 0.788 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 604270209 SZPQMKLONRYJTH-UHFFFAOYSA-N 442.541 0.044 30 20 ICED Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1S(N)(=O)=O 609355029 QQRIRWAQTGDJGH-UHFFFAOYSA-N 448.526 0.661 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2F)c1=O 684535263 MMBGMUIFKIWWGG-HNNXBMFYSA-N 443.500 0.636 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 726334471 VKTUIJOCZLMPCS-FQEVSTJZSA-N 441.469 0.725 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CCN(C)CC1 732796842 JTHPBMKXLJFOCY-UHFFFAOYSA-N 442.589 0.983 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 733149139 ZDAYAJYSAWIGRH-QFIPXVFZSA-N 447.539 0.706 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nn[nH]n2)c1 737267312 HMFPSLWXFOCREK-PXLXIMEGSA-N 434.482 0.048 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cc1 746122064 PVPRIYCCJSGLDG-UHFFFAOYSA-N 431.474 0.637 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)OC(C)(C)C 750811264 FXCQEZUKMZBRLK-GFCCVEGCSA-N 425.463 0.226 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 758069314 ONFUGDTVOLAKRT-UHFFFAOYSA-N 441.509 0.598 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N1c1cnn(C)c1 758546999 YKLLGCGNPMCZJA-BFJAYTPKSA-N 431.497 0.972 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@]23CCOC3)CC1 764653809 NBXQRURVSSHXDZ-JXFKEZNVSA-N 433.486 0.361 30 20 ICED Cn1c(N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 775543048 WXQYFAIVVAKHPN-AWEZNQCLSA-N 448.524 0.346 30 20 ICED Cn1cc(Br)c(=O)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 779455152 FGTOLWZJUKOFEG-UHFFFAOYSA-N 425.264 0.825 30 20 ICED C[C@H](OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)NC1(C#N)CCC1 787548647 AGCNEGPQHKUNHM-TYNCELHUSA-N 443.909 0.862 30 20 ICED C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO)C(=O)NC1(C#N)CCC1 787581200 HKKFDQPLQKGCQY-ZDUSSCGKSA-N 438.506 0.449 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)n1 789789452 VUWUBYAJOLIKGO-UHFFFAOYSA-N 430.486 0.460 30 20 ICED N#Cc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 795348504 ZXLUXSMMOOWEBC-CYBMUJFWSA-N 431.923 0.486 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 799284031 WPSQSQXEBCZNBJ-CYBMUJFWSA-N 425.507 0.601 30 20 ICED COCCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 802406231 HFLOHUCROBLENN-MRXNPFEDSA-N 434.522 0.782 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 804274252 BCULUPLZHNMJFB-DNTCVELPSA-N 448.501 0.687 30 20 ICED CC#CCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 810774524 JLIOZPDLMKHEAY-ZDUSSCGKSA-N 426.472 0.093 30 20 ICED O=[N+]([O-])c1ccc(NN=C2CCS(=O)(=O)CC2)c(S(=O)(=O)N2CCOCC2)c1 814696287 CMEPVSNDTWEKAF-UHFFFAOYSA-N 432.480 0.592 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOC 838246310 QJUASHGPNQOTEW-UHFFFAOYSA-N 449.504 0.360 30 20 ICED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1=O 917149442 IZVRDUMUZBJOQC-JOCHJYFZSA-N 435.440 0.506 30 20 ICED N#CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 919814779 AWJHIHBVQQDXEN-UHFFFAOYSA-N 429.502 0.866 30 20 ICED CO[C@H](Cc1ccccc1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1315176833 JOJVMVFSPQQPNA-KBAYOESNSA-N 448.549 0.875 30 20 ICED Cc1cc(C)nc(-n2nc(C)c(CC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)n1 1342561530 TVORQKSPJXYHGD-QGZVFWFLSA-N 444.517 0.404 30 20 ICED Cc1nccnc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1707794975 QYKNIWBDDTZQRT-YOEHRIQHSA-N 448.553 0.691 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746460930 XDBASKWAEXREEF-MOPGFXCFSA-N 444.584 0.516 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777965570 DTKHLVDXHQJILM-LNNXQNCSSA-N 434.562 0.565 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1779122634 GXZSAOFWMVXXGW-QFIPXVFZSA-N 437.456 0.728 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n(C)n1)C2 1780736943 XFJQDQIASIIFLR-IIBYNOLFSA-N 434.493 0.763 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203053 RGXSPMBLNHVJDD-AUUYWEPGSA-N 431.555 0.676 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781430436 YPBQRNOPONCVHD-HFSPCEDCSA-N 433.509 0.928 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c([N+](=O)[O-])c1 1783566118 YXVXERLSUUCGSH-FQEVSTJZSA-N 431.401 0.064 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604262 DPBZQHCRXARTJB-UFYCRDLUSA-N 426.517 0.995 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1783899345 FJALVGQNRGUGOJ-ZHRMCQFGSA-N 441.528 0.799 30 20 ICED C=CC[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 1784784143 GBVQGRUNHVQYHY-XAJHFOFHSA-N 425.526 0.816 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cccc1=O 1785375940 JTEUEUYTGPEXNU-QHCPKHFHSA-N 436.468 0.779 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1785576338 CGXYZQCLFDYLKG-ZHRRBRCNSA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)cc1 1788028427 DUISSAFRYCHIRZ-UHFFFAOYSA-N 440.504 0.954 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788374466 BYFLHSKKLLLEHS-XSLAGTTESA-N 427.505 0.896 30 20 ICED COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c1 1788893156 FAOYAFHNOBYPFE-IEZWGBDMSA-N 429.521 0.965 30 20 ICED COc1cccc(N2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)CC2=O)c1 1792428655 HGCUFIBXHSPTFK-OYFMXXACSA-N 447.557 0.956 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)c1 1792580615 NXIJSYLYTDSJPZ-DFYYWFRZSA-N 426.473 0.296 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(OC)c1 1794049808 BUEUTFCPHVFDCH-GUGIZKONSA-N 442.516 0.471 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc[n+]([O-])c3)c2c1 1794250784 DHGYCCZJOIKSCX-HGKCTWBKSA-N 432.440 0.585 30 20 ICED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1794336858 QTEMVTPQBFUOJE-JLVBRIDZSA-N 430.509 0.360 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797710263 JAJMFYSJDJEWLT-LORHWOILSA-N 427.501 0.958 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797812028 KVBQVJHFLSGJNE-VZTDJHLFSA-N 442.476 0.690 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)ccc1F 1798486863 JRQOYHYVISVCIO-BMQTXXJKSA-N 430.480 0.529 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(C)C(=O)CC2)C3)c1 1798573736 ICRIIXFBHOMSAT-CWPLJXCYSA-N 439.472 0.378 30 20 ICED 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)O)C2 1799232859 HAZONLUDEDRIPN-DFBDCSAJSA-N 437.537 0.654 30 20 ICED CCC[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 1800778646 KZRGCMZDOBZCLM-KRXQYRFLSA-N 437.493 0.357 30 20 ICED 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]1CCCOC1 1802076267 IRDOKKNWIMEHDV-OYSTVDSJSA-N 449.548 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802675858 SEUNYKWFWNQGFH-DCTNLQOOSA-N 442.520 0.217 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807117360 FIWYDAGUPVEFMW-YLJYHZDGSA-N 442.520 0.437 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1808846274 UKJJFPWTWMCLGO-AYBZRNKSSA-N 429.525 0.728 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)CCC1 1814050840 ANCWXECLCDFFBR-FHWLQOOXSA-N 427.505 0.432 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)CN)[C@H]1c1cccnc1 1814208197 PFBDMOGFGQYGAE-LNLFQRSKSA-N 429.521 0.963 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819951899 JDTLYYABYAIENO-VAWPVJSFSA-N 447.517 0.418 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCN2C(=O)OCc1ccccc1 1828592010 FHELEOBNNZCBNL-JTSKRJEESA-N 440.456 0.180 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828974587 RNIOXNCLSMIYON-HPNSBFNSSA-N 433.513 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1829762977 VVSXGVFWPYROCK-VMXOYPLMSA-N 448.564 0.033 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1831396291 IYYHLIHALPKGSM-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1831402998 VCZPSEQVXOZLEB-UZUQRXQVSA-N 443.500 0.753 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CCN4C(=O)C=CC4=O)CC3)CC2)C1 1833046033 DTXZEZCPAICKSP-UHFFFAOYSA-N 428.533 0.839 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833451402 VXIIUAYNNJNRBL-MRXNPFEDSA-N 429.583 0.584 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)[C@@H](C)CC)CC2)CC1 1833493539 NYMNDFMAIGJMBM-MIPIJZKVSA-N 434.581 0.823 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(F)c1 1833632192 XIDFXCGASQSEPZ-OAQYLSRUSA-N 443.435 0.813 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834390434 ANYQWGYQYRVGAA-QHCPKHFHSA-N 437.500 0.995 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1834398072 OONWTAQQGPPGFF-AWEZNQCLSA-N 442.520 0.478 30 20 ICED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1)C(=O)O 1834518907 XXPADOCCJRDVMF-OAQYLSRUSA-N 440.544 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc(N)s3)CC2)CC1 1834764062 DCEHKJVOTMUZNL-ARJAWSKDSA-N 446.577 0.769 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075598 RLOSHDQUMKYRTL-QGZVFWFLSA-N 447.536 0.646 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)s1 1835098917 UEZZQNSRQFUYMC-JOCHJYFZSA-N 440.525 0.897 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC[S@](=O)CC)CC2)CC1 1835654716 QTCJBMJTVPWQMP-CQGGRAHPSA-N 425.595 0.755 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1Cl 1836479949 SPNFWYSWIBBNBW-UWJYYQICSA-N 430.892 0.810 30 20 ICED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443388 IJRUYIXPFBAQHG-OVRHDEQLSA-N 435.500 0.706 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839391001 URMRNGCIKSQGSD-DUBROFONSA-N 429.473 0.626 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497197 ZBVKKRKVKZMNIA-HTAPYJJXSA-N 426.473 0.443 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(-n2nccn2)c1 1840162355 VDJVIBWFURLOIA-KKSFZXQISA-N 445.545 0.964 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840164578 BEQJKSPWGUNXGF-KUHUBIRLSA-N 443.566 0.818 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840609254 YOBHSJMDHGCODT-VAWZGJIGSA-N 425.485 0.715 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802742 BWXGSRDIZHVYPF-KUHUBIRLSA-N 431.555 0.676 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cccnc4)C3)C2)CCC1 1840813582 HYCYKZAGBXLPIF-PGRDOPGGSA-N 427.505 0.102 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841602850 YSSFFCOMVKEMFQ-KSFYIVLOSA-N 435.521 0.600 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c(O)n1 1842296974 DKKIOCFGCDOXMI-UHFFFAOYSA-N 438.421 0.448 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccoc2I)C1 1843136856 HPZMGUGNYPENHO-UHFFFAOYSA-N 428.182 0.789 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1846964794 MONCGQKFWPUMIX-SFHVURJKSA-N 448.564 0.781 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3n(n2)CCCNC3=O)cc1 1847308323 NBOBERPSHHNZGR-OALUTQOASA-N 432.484 0.946 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 11334142 YKKWZGNYDUJNQV-UHFFFAOYSA-N 439.490 0.195 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 410100112 OBYDNLXRYVIHHA-HNNXBMFYSA-N 443.323 0.676 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 410418427 CTPQBPYLCTWJFY-ZIAGYGMSSA-N 429.296 0.613 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 428529258 TYRVFHKINMRREN-AWEZNQCLSA-N 437.485 0.921 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441941435 JUAVAMXAWAFITQ-OAHLLOKOSA-N 433.555 0.664 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443288220 XBNVPZZYRVXDRK-GFCCVEGCSA-N 434.396 0.936 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 465331358 JDYVHOBTUNEHLJ-UHFFFAOYSA-N 434.378 0.965 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 467248341 WGQRVEATMMCSKC-CQSZACIVSA-N 431.460 0.820 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 481785445 JMGDBERKXTXDTA-SJORKVTESA-N 430.461 0.397 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 497724685 CTHRSCLROMHFHU-AZUAARDMSA-N 449.515 0.294 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1=O 500339875 HNJDDFZGKNKQBZ-AWEZNQCLSA-N 441.469 0.900 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)cc1 512837966 LAUIXAMBJKXGML-UHFFFAOYSA-N 428.581 0.776 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccs1 524109424 AGCZVOAEXOIBOF-UHFFFAOYSA-N 440.550 0.875 30 20 ICED Cc1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1S(=O)(=O)NCC#N 538813878 JDDYTBXCHNMPDY-INIZCTEOSA-N 441.469 0.800 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 546726889 JYOYMIJQFZTHQX-UHFFFAOYSA-N 428.539 0.289 30 20 ICED C[C@H](O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C 561788302 OURFIDYKCJQJLA-RYRKJORJSA-N 431.512 0.696 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4C)CC2)c1C#N 573374280 HRQGZMOHOCNECS-UHFFFAOYSA-N 440.485 0.966 30 20 ICED N#Cc1c(CCCNC(=O)NCCC(=O)N2CCOCC2)nn(-c2ccccc2)c1N 574425146 VNIMGMCRHKCERT-UHFFFAOYSA-N 425.493 0.807 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 583335128 ZYWDHXJLOLJAIH-UHFFFAOYSA-N 431.541 0.071 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cc1 589159281 MICSLCQSKLLTHJ-UHFFFAOYSA-N 437.452 0.929 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O 589160671 LLPTZMMGASCPJQ-AWEZNQCLSA-N 447.582 0.886 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 590997296 BXZIYPVDQNXGHN-UHFFFAOYSA-N 438.553 0.505 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745386000 BKMLWAGUASCHAZ-UMLSUDCWSA-N 442.472 0.903 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 747993716 QBEPKZRYOHXOHR-UHFFFAOYSA-N 442.541 0.802 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 749006570 WMNSGKJUSHYULS-INIZCTEOSA-N 437.474 0.324 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1 757587284 JWPBSQZXXPMSHE-TZMCWYRMSA-N 425.511 0.764 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758056188 UCHGQVSSIBBHCL-UHFFFAOYSA-N 441.509 0.216 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCOCC1 767399617 VPHCMMMHPWXDJR-UHFFFAOYSA-N 435.502 0.524 30 20 ICED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 769238960 AQXGVBZAVDRTCR-LBPRGKRZSA-N 444.469 0.785 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)c2ccncc2)CC1)c1cc[nH]n1 772152083 POHDWCXTHBAPME-UHFFFAOYSA-N 428.449 0.510 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1C#N 772493769 ZSAAWMJYJZGELD-UHFFFAOYSA-N 436.534 0.909 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)nc12 783348505 ARJDXKQSRJJOSW-HOTGVXAUSA-N 425.376 0.764 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)c1 792414301 YDFFBYWOKNSLFM-ZLFSKHNOSA-N 434.518 0.933 30 20 ICED Cc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 793202288 ZUQRNTLGZNXBPR-UHFFFAOYSA-N 427.504 0.379 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](C#N)C1 793615922 BNFRRPJWUQOYAY-XOBRGWDASA-N 449.508 0.573 30 20 ICED CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCNC1=O 799846432 KEZFARBWHPBDHM-QJIFYWSCSA-N 435.506 0.175 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1F 805092690 SVNNQGDJEDQGQX-UHFFFAOYSA-N 439.494 0.975 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@H]1CCCO1 809311045 SSFSQEWUIZBVGX-QZTJIDSGSA-N 445.516 0.654 30 20 ICED C#CCCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 810784192 VRTYPMDLDTXOEC-UHFFFAOYSA-N 426.520 0.226 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 811830672 YWKDEPWIGUVQPW-UHFFFAOYSA-N 428.422 0.969 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)ccc1F 1116373553 JMWSCCNMDMRMGU-UHFFFAOYSA-N 429.473 0.754 30 20 ICED COCc1ccc(C(=O)OC)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1209215268 YWEUJZQIJCLEDK-UHFFFAOYSA-N 425.507 0.856 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1316538677 LIVUNAZGRDKHLJ-ACJLOTCBSA-N 437.909 0.877 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cn1 1318289828 SNYFXPIUAROEHX-KGLIPLIRSA-N 425.536 0.690 30 20 ICED Cc1nnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)c(C(N)=O)c1C 1318345878 NJROJBAIQMVLMG-KRWDZBQOSA-N 447.499 0.766 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 1320664827 NYXPIFDAEQZMNR-DNVCBOLYSA-N 436.538 0.168 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)c1C#N 1320988913 JRSZRSCWPOVZHS-QGZVFWFLSA-N 438.492 0.439 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1541988014 KQZJCXSPFKLYSH-OXJNMPFZSA-N 449.581 0.926 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(CS(C)(=O)=O)CC1 1741905575 SZSCJYZPPFYUHX-STQMWFEESA-N 432.572 0.451 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1751173655 LGRADGHXETXQGU-CYBMUJFWSA-N 440.551 0.235 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)C#N)C3)CC1 1778908782 PFQHYMOQAXESBX-XMSQKQJNSA-N 433.553 0.214 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1778972864 XBVSOSFVFRNWAM-IIBYNOLFSA-N 434.493 0.116 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779064504 BKUYNDUFEKHBQR-QHCPKHFHSA-N 426.517 0.971 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203054 RGXSPMBLNHVJDD-IFXJQAMLSA-N 431.555 0.676 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1781396943 SDVIGKFXBGKVOE-GCKMJXCFSA-N 446.508 0.226 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cc5cnccn5)CCO4)C3)c2c1 1782193613 AOXKPUFVGXETMD-JOCHJYFZSA-N 431.456 0.911 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1784505226 KGAIEVBMECFXNA-VKESLTNKSA-N 444.532 0.771 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366706 JUWCRKAKHOVZBG-YCRPNKLZSA-N 426.477 0.119 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643867 FAZGTNAJQDUZKK-WSMBLCCSSA-N 433.465 0.569 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787479582 OCXGAIAPHLLASS-IHRRRGAJSA-N 435.437 0.421 30 20 ICED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)C[C@@H]32)CC1 1788195271 SUXDCNIAJBWLKM-CUWPLCDZSA-N 443.523 0.538 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1COc2ccccc2O1 1793265977 KUCAZMPDNHJHPB-YCGPWUDHSA-N 428.485 0.844 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470969 UBCLHDYJDAYEES-BBIADKPPSA-N 442.516 0.249 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)c(O)n1 1796078959 GPISHPLRWATMSP-KYHPRHEASA-N 429.521 0.750 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1796307933 INWKDBDMYWPZPN-NIVUTHITSA-N 434.566 0.074 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cccnc2n1 1797355825 OXXOUXSIFLMROG-KAXDBTLWSA-N 435.484 0.691 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799082699 OSNCCXTXBWRAJD-AXVVYFOYSA-N 427.505 0.435 30 20 ICED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(C(F)(F)F)c1 1799786881 IGPRJUFOLSEPTG-JLVBRIDZSA-N 438.406 0.916 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c(Cl)c1 1800199974 VMUPNUWCPRPADN-YVWYUNDQSA-N 441.875 0.672 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C2 1800452393 ZITKDYKKVWCCQT-IVSAIRAKSA-N 425.551 0.856 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1801165411 NCQKZFZXNDSVRR-ZSBFGKGUSA-N 434.518 0.235 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)n1cnnn1 1801431638 AUAVFKSBOLOTSP-JNNRSPCRSA-N 428.880 0.529 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804094866 VRHPTDZIGLTTAT-NQIIRXRSSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804370335 HXYFIDIRIPPPIN-HRAATJIYSA-N 435.440 0.000 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807048254 PEDNVGSSTAGNMF-RXNUZSHNSA-N 440.504 0.392 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)c1 1807611615 WDAXTJFKDMLFFS-LAUBAEHRSA-N 446.471 0.968 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1808451212 AEEJFCPJMAFCST-QKLQHJQFSA-N 428.489 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1810252306 FFEJDBPOTOCCKV-HNNXBMFYSA-N 448.545 0.721 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)N2CCCC2)[C@H]1c1cccnc1 1812875525 XOQHZHGNPRWDED-JTSKRJEESA-N 426.473 0.578 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1820892835 GBFRHTANXFEFAJ-UONOGXRCSA-N 446.464 0.509 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1821604697 VWVUMZZBEHHYBY-KZULUSFZSA-N 430.490 0.219 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(=O)(=O)CC)CC1 1824463295 VXQQNFPHRXTZRY-GIFJBRJJSA-N 439.578 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1831392548 FLAIFWLRLBOFIZ-QINHECLXSA-N 436.534 0.438 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831402339 VNXQHFLXTIHMEN-IERDGZPVSA-N 439.509 0.006 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1831427419 VUICAKBHLOGLEA-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1832460969 MIHUOSCBTSVFHD-FQEVSTJZSA-N 436.534 0.655 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832471125 GDCFQOOVUABEPN-BPXKWBHBSA-N 433.574 0.818 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832471179 IGHICYGJKWPQPN-URXFXBBRSA-N 425.529 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccncc3O)CC2)CC1 1833074958 IEJNRDGHSIIRIQ-ARJAWSKDSA-N 441.532 0.831 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833430324 ZGZBHYJIVMIVDC-HRAATJIYSA-N 434.493 0.536 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)cc1 1833513422 NGZAJRVDLOFJBV-IBGZPJMESA-N 425.489 0.852 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1834715343 WROHSJSIYKXHTH-UHFFFAOYSA-N 430.557 0.132 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn(C(F)F)c4=O)C3)C2)CC1 1835344804 VTJLXBPTXZEQGJ-FQEVSTJZSA-N 436.415 0.617 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1)c1ccccc1 1835431872 YMGFQFDZPHRGRE-RDPSFJRHSA-N 441.528 0.728 30 20 ICED CC(=O)Nc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)o1 1835736408 DQESEEMRNUVSBN-UHFFFAOYSA-N 430.461 0.511 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969257 ABQKHZZTWVDKFQ-FUHWJXTLSA-N 430.958 0.947 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c1Cl 1836129110 ACSRDBVSPOQNJY-UHFFFAOYSA-N 445.955 0.880 30 20 ICED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCO1 1836271495 DKOQMEXMOZKUAW-HSZRJFAPSA-N 432.517 0.836 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4occc34)CCO2)C1 1836288813 NQMVIIBNYXNEQY-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1836862753 WVHKFTKKUFQJET-CQSZACIVSA-N 447.454 0.702 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)N1C[C@H]2C[C@H]2C1 1837284268 RXJGIOAJRAXWOY-GBPOLFSSSA-N 447.580 0.065 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837403382 SGISLCIXKILJQQ-XMSQKQJNSA-N 433.505 0.359 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837485961 RLNKIWOSGQJVHH-IERDGZPVSA-N 428.493 0.427 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837977547 KPECZFFANMYWFE-VGSWGCGISA-N 433.505 0.733 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1838737877 COCKYNYJWFKGOO-RHUWMCOTSA-N 425.445 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838857486 NYEAWVQKPVHGHN-QJKPHDSHSA-N 449.454 0.893 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047517 SOFCIBBRPAATJB-CTNGQTDRSA-N 447.561 0.683 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839514193 CEVNWXDRFSQCKJ-XCLFUZPHSA-N 432.502 0.724 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839539668 UXVSIAKCCSEEES-CVDCTZTESA-N 442.516 0.977 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1840040927 FSOSWMFGVCWJEQ-GOSISDBHSA-N 425.800 0.032 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1840044798 YJHJMTURGALOIB-JOCHJYFZSA-N 439.424 0.098 30 20 ICED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1841259688 NBMZDWVONCYVBP-UHFFFAOYSA-N 431.456 0.739 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843008290 RPAOASDUZUFZML-UHFFFAOYSA-N 436.859 0.940 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846131411 BAQKXUDXMQUFOU-OYHNWAKOSA-N 431.489 0.925 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1846560824 HDRIBGBQGJHUGG-OLYXRRBISA-N 446.508 0.189 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1=O 25522044 FSJYNSIFURBPPR-UHFFFAOYSA-N 441.488 0.224 30 20 ICED C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 25623988 XQCXZIHLAYNHLH-DNVCBOLYSA-N 434.543 0.845 30 20 ICED Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C#N)c(=O)n(C)c1=O 105432775 DIZZFQFTCIHSIA-UHFFFAOYSA-N 429.911 0.181 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2cccs2)cc1 105453323 HOVKWBJSOXAEBK-UHFFFAOYSA-N 435.483 0.842 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N 409504503 ZBZYUFZGBLRORK-CVEARBPZSA-N 436.604 0.351 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C1CC1 409585248 DAPCQIXOIBBKGX-HLLBOEOZSA-N 448.615 0.397 30 20 ICED Cc1cc(NC(=O)C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)nn1CCC#N 439363070 YBPNIFJACNNSHZ-UHFFFAOYSA-N 448.281 1.298 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 441633745 LRHVHHUIHTUXAK-QGZVFWFLSA-N 425.420 0.355 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 441722746 CWKRPGGQQQVCDU-MOPGFXCFSA-N 440.479 1.316 30 20 ICED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 446430017 RSJBMABEJOZOMQ-UHFFFAOYSA-N 427.465 1.155 30 20 ICED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NCc1ccc(OCC(N)=O)cc1 461435244 HRVFLHJXYXFLQT-UHFFFAOYSA-N 433.262 0.971 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 464013754 ICPGPERMXDFCRE-OAHLLOKOSA-N 447.430 1.447 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468469991 ZFOYGCWDBDHQOC-UHFFFAOYSA-N 441.488 0.904 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CC1 477321546 URUKVRFFKCSAAW-UHFFFAOYSA-N 446.460 0.948 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCOCC2)nc1 480468491 KUIWEUQIUJMGAU-HNNXBMFYSA-N 429.502 0.773 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 482833443 FICWDHVZDIBOSM-HNNXBMFYSA-N 442.497 0.915 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482860714 UYZXZGVUBCBVEY-SJORKVTESA-N 447.561 0.380 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc1 497470974 RMHNXBIGEMNROG-UHFFFAOYSA-N 448.527 0.864 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C#N 504180581 FYYXAOYONFLSKV-UHFFFAOYSA-N 449.496 0.895 30 20 ICED C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508868393 UVGYQLDIUDEIAV-UHFFFAOYSA-N 442.495 0.701 30 20 ICED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 514702870 ZEJMJSDPSJRULR-UHFFFAOYSA-N 447.565 0.447 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 516371456 RYOSXLRWZOEHBH-UHFFFAOYSA-N 441.557 0.227 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOCC 522284093 FNSIUMMXELCKEC-UHFFFAOYSA-N 441.509 0.538 30 20 ICED Cc1cc(=NC(=O)C2CCN(C(=O)C(=O)N=c3[nH]n(C(C)(C)C)cc3C#N)CC2)[nH]o1 536974734 UAYHHTIGSCAWTJ-UHFFFAOYSA-N 427.465 0.466 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 542300119 RKPZPFNILVBUDP-OAQYLSRUSA-N 448.545 0.846 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 543753464 SCKQVCGCMFRYOO-CQSZACIVSA-N 437.512 0.792 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)C2CCCCC2)CC1 543839290 LAKHJZFPVTWPLE-IBGZPJMESA-N 434.562 0.922 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 549935228 XLDQRZOJTWVNBS-UHFFFAOYSA-N 429.546 0.725 30 20 ICED CC(C)CN(Cc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 557541644 VBQXAWUNGLYPAK-WGQQHEPDSA-N 438.488 0.972 30 20 ICED N#Cc1ncn(CCNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)n1 557920887 FGACXNCHOICFSJ-UHFFFAOYSA-N 435.485 0.831 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)nc(N2CCCC2)n1 560134683 DDDMKCQZTJUCKR-UHFFFAOYSA-N 445.487 1.152 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)CC2)c1C#N 574933488 UFBHAAAOIPRBMG-DLBZAZTESA-N 443.552 0.448 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 576428565 RCZRDIWEDGOKPV-MRXNPFEDSA-N 430.552 0.099 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2=O)cc1 581510589 ZZVYFQYAXFFMRG-FQEVSTJZSA-N 435.484 0.976 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 614628899 IUZXDMIPNFALLD-UHFFFAOYSA-N 429.458 0.692 30 20 ICED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(OC)cc1 615456422 JTXWBXBOKGJWFO-UHFFFAOYSA-N 430.549 0.686 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 726170630 WWSMLOTVOILSJO-NRFANRHFSA-N 440.481 0.583 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(C)C)cc1 732156727 QHUDNQZHZMPXRM-DMEQXSTQSA-N 434.518 0.941 30 20 ICED C[C@H](CC(=O)Nc1cnn(CCN2CCOCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742633743 HEIIXUXVKRVHLK-OAHLLOKOSA-N 446.533 0.671 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1 743423609 LKOQZBBXCDIXKU-PYCFMQQDSA-N 433.534 0.745 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2F)C1=O 744919314 UPVZZGBTRQHSEH-GFCCVEGCSA-N 442.197 0.635 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 746960518 AURPRSPSIHGYOB-UHFFFAOYSA-N 443.481 0.915 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 747823934 HADZOSIPRZVCIQ-UHFFFAOYSA-N 434.518 0.732 30 20 ICED CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749744163 OMTVSMIQRSJFHQ-BXJMQORWSA-N 442.563 0.667 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)n2)cc1 754516717 YJRKMBBEUZGLRQ-MOPGFXCFSA-N 434.456 0.737 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755619236 ICTJCKYRKJQGCK-UHFFFAOYSA-N 445.589 0.834 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C(C)(C)C)c2C)c(=O)n1CCOC 755627140 IUVQLPPGADZOTJ-UHFFFAOYSA-N 443.573 0.930 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 757057281 CMFLQNKJNAJAEL-IQMFZBJNSA-N 445.483 0.779 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)cc1 757228600 FVZYNOGPFABWGI-RNWAHURQSA-N 448.505 0.021 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2c(F)cccc2Cl)c1=O 758050770 SVCUOWCLWLXIKC-GFCCVEGCSA-N 433.892 0.990 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cncs3)c(=O)n2CC(C)C)CC1 767873181 SJFAXPFAEYFIPP-UHFFFAOYSA-N 431.587 0.689 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cc(OC)n(C)n1 774025266 SZXQKRHWRLIBAK-UHFFFAOYSA-N 425.401 0.965 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774539566 APHKBLRKKFDAGL-UHFFFAOYSA-N 448.548 0.871 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 777243315 NUZGNRJAESBKOX-VAWYXSNFSA-N 445.427 0.915 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1 777427941 MMRZDKJVRMALET-HNENSFHCSA-N 434.474 0.101 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 780011244 MCQLEFNCEFTIAP-LJQANCHMSA-N 447.561 0.862 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 780211607 YXMOTCJAMJACAP-IBGZPJMESA-N 448.435 0.509 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(C)nc3-c3cnn(C)c3)CC2)o1 781301752 DYRCUXTXXXFYDE-UHFFFAOYSA-N 438.448 0.494 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 785163917 FSYUMCVAKWVDSN-UHFFFAOYSA-N 430.198 0.782 30 20 ICED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 786549730 SEHFXHMIBWOOTG-HZPDHXFCSA-N 430.486 0.486 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)NC1(C#N)CCC1 787594212 ZVDOVBHXLADWKZ-CQSZACIVSA-N 448.501 0.586 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC1(C#N)CC1 793193760 CPMOJVOSNMJCSM-AWEZNQCLSA-N 438.531 0.890 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798742799 UNIJBNRIUNVFKK-QWRGUYRKSA-N 429.389 0.854 30 20 ICED C#CCSCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801159563 MAFPNPQZHSGZGI-UHFFFAOYSA-N 427.523 0.775 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 804749473 QJVFXUHKFLBLMF-QGZVFWFLSA-N 441.488 0.511 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2=O)cc1 808174106 IYXAHPAWHHJBSW-MSOLQXFVSA-N 426.473 0.924 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2F)[C@H](C#N)C1 811041743 HCCAMCHTXORSCI-TZMCWYRMSA-N 426.470 0.979 30 20 ICED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nn1 811183685 ZNWFLVBOYDVTQF-IAGOWNOFSA-N 448.457 0.939 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 1296290105 YEHIHEORVZMNIZ-HKBQPEDESA-N 443.577 0.843 30 20 ICED C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1509948142 NELMSALISCZDGQ-QRWLVFNGSA-N 443.533 0.805 30 20 ICED COCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1555568990 WEZGVSQZMLMAGP-SFHVURJKSA-N 441.540 0.484 30 20 ICED N#Cc1cn(CCC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c(=O)nc1O 1566334141 XWNBHLOXCHXRCW-CYBMUJFWSA-N 426.351 0.786 30 20 ICED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1711222510 XGJNNOGBBYCGHV-JOCHJYFZSA-N 442.520 0.649 30 20 ICED CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1712695165 LJHVYFHAFDWOMT-SJORKVTESA-N 444.517 0.551 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C1CC1 1747193859 OIWSWVVIQUEYNL-OAHLLOKOSA-N 439.524 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1cnn(C)n1 1751223276 MYUGBVQRKFZDAG-KSSFIOAISA-N 435.558 0.780 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1764697913 YUNWLTKQNDEZOM-GOSISDBHSA-N 439.520 0.728 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1767815695 MWHBJJCCRYGTPY-UHFFFAOYSA-N 446.533 0.878 30 20 ICED CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1767970669 YTQYSQBAQNFTFT-UHFFFAOYSA-N 447.565 0.558 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1769065230 RBINANMNWKBJTM-FQEVSTJZSA-N 446.533 0.030 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CCO1 1770749180 VASCJHFZBLQZIN-RYUDHWBXSA-N 439.448 0.685 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465857 HIJKHCVNHLHVDZ-QNZROTIXSA-N 442.476 0.702 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778787351 FKKWANYFQLVFOI-OXQOHEQNSA-N 434.424 0.205 30 20 ICED CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)C(C)C 1778796673 SWVXKMDPIDPFJK-AQMFINPPSA-N 439.509 0.933 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1778971365 LDPIXRZHGGBRDS-KSFYIVLOSA-N 443.504 0.348 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1778999917 NQIBGRHEWRJTOU-DYESRHJHSA-N 436.629 0.460 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103735 YCCBGNSNWWXVIC-FGWOULHUSA-N 438.525 0.650 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnc3c2OCO3)C1 1780020268 CTVSUSGNJRVZCK-LBUQITIBSA-N 429.473 0.976 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)c1 1780335599 ZLHXCILLNWMPRO-LFTXJPJQSA-N 437.456 0.795 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4CC(O)C4)[C@H]3C2)c(C#N)c1 1783998990 BREADEBSDLTALV-IJODMOHISA-N 427.501 0.860 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539075 GSFZWOLJFARRCP-YOEHRIQHSA-N 431.605 0.631 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)cc1 1788506123 XKLIZRBIOYCXEN-BZSNNMDCSA-N 437.504 0.679 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788656630 RKMAGYBYTTUZKT-ROXRBECASA-N 449.508 0.551 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(-c4cnccn4)c3)[C@H]2C1 1789266335 BJIBCIPEIAHHSH-BJLQDIEVSA-N 434.452 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(NC(C)=O)c1)C2 1792491290 HVYZGHGMLPQWIJ-SWFHQTGMSA-N 440.500 0.707 30 20 ICED O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1 1792943480 ZBXXHOFCXGWEDV-YYIAUSFCSA-N 428.876 0.928 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2sc3nccnc3c2N)c1 1795706967 XDOGLXWHLHSSDM-JJLQDPRZSA-N 437.485 0.990 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797640127 QJIMZUOHVMJCMD-YKQMIWISSA-N 429.473 0.902 30 20 ICED 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)c1ccc(OC)cc1)C2 1797703981 KGLHOSVYFBCWPD-HHUCQEJWSA-N 432.517 0.891 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838641 IRPRVNZMDOJHBJ-OFHJESTESA-N 425.489 0.253 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799083929 FZQCDFKMXKSWLR-REGYPHIPSA-N 428.493 0.662 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1F 1800400967 WUVLGOBYEZLLNE-NTNQKNOYSA-N 433.436 0.904 30 20 ICED 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]1CCOC1 1801515758 OTYUZLKEALHYJZ-JCECYMMASA-N 435.521 0.529 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)C=CC2=O)c(C#N)c1 1802542089 YXQKARJLCYNKLR-BCDXTJNWSA-N 436.468 0.673 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(=O)c1ccccc1 1812872698 HHQLGUNWPFGSEE-AUSIDOKSSA-N 448.479 0.948 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1820896354 ZPSKIKJZWCSFAB-JXFKEZNVSA-N 449.508 0.562 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(c2)CCNCC3)n[nH]1 1821701908 IOSTUUWDQCDADC-GOSISDBHSA-N 436.472 0.887 30 20 ICED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CN)CC3)c(C#N)c1 1822808232 YUABQDGYCLFHIS-HIFRSBDPSA-N 428.518 0.464 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898907 MPVVXSIZPTYAMY-OFNKIYASSA-N 429.517 0.964 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CO)o4)C3)C2)cc1 1829904272 MYFGWBJEYHVXGK-HSZRJFAPSA-N 439.468 0.956 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1831399123 PKWKOUQCFIJNQJ-XDHUDOTRSA-N 440.496 0.924 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831901155 HSNRQBCLJKABOB-OAQYLSRUSA-N 433.484 0.573 30 20 ICED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833451268 UPZBKSMQJHVHJU-QGZVFWFLSA-N 440.610 0.689 30 20 ICED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833506179 SIKRPFZALTXSOS-FQEVSTJZSA-N 426.433 0.069 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csnc1C)CCO2 1833740203 BWYLMFNCEXXKSK-BBIZLLLXSA-N 434.518 0.380 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c[nH]c1C 1834756371 XYMVOAQZDWWEIF-JOCHJYFZSA-N 446.504 0.803 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835355052 QMHSDMIZDSKTNE-VGOFRKELSA-N 432.521 0.538 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835677995 TYJXDWMZCHCVAR-YGPNGPECSA-N 445.520 0.437 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315924 QFYUOWXNYDNSJD-SUMWQHHRSA-N 438.399 0.139 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838326449 AEPHHWVSECGGGS-OPAMFIHVSA-N 443.504 0.414 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)ccc3OC)CCO2)C1 1840687658 ZXHGRFHQEZFTPT-OPAMFIHVSA-N 434.464 0.943 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840820682 DSCWTVYDPGGCQE-QHCPKHFHSA-N 443.500 0.699 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842954068 SGPPXMAYAOYBOX-CABCVRRESA-N 436.509 0.169 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1843236129 KZFZRWXVCYBUTR-ZDUSSCGKSA-N 432.444 0.570 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844286334 JBFUZJLWFXKNHS-AAPWJSKRSA-N 439.465 0.214 30 20 ICED C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 23635744 DUSOKAICYWJCKM-XJKSGUPXSA-N 436.490 0.784 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 32920524 PBESPDWVDLDTAH-OAHLLOKOSA-N 433.534 0.303 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2CN2CCCC2)CC1 111052881 MBYXRFXYAZTHDL-FQEVSTJZSA-N 445.589 0.951 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCO1 409497381 DRJNYDDCPAMRGY-INIZCTEOSA-N 446.526 0.428 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 430406505 GYIYIMISMFKVKU-CRAIPNDOSA-N 445.545 0.498 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 447809431 YXQIXZUPIREHGJ-XUVXKRRUSA-N 430.505 0.715 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cn1 460653323 BBAMWEUJNHDVJO-KRWDZBQOSA-N 430.428 0.784 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)n1 479362335 RDZWFNROXHUUKI-UHFFFAOYSA-N 425.470 0.377 30 20 ICED N#Cc1csc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 481042026 VDJAPXRUKGDWNP-HNNXBMFYSA-N 443.550 0.727 30 20 ICED COC(=O)CCN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 487178090 FZIBOXFKGFGHPV-VQIMIIECSA-N 427.505 0.938 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1=O 499091558 CCLOALIUBYCKJN-UHFFFAOYSA-N 441.488 0.363 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 501011062 OQCNPXVTGFQECX-GOSISDBHSA-N 432.477 0.720 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)nc1 501617052 YFNNFRYDNSEIPO-GOSISDBHSA-N 426.521 0.219 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514022799 QNECWMZVFFPHHV-KSFYIVLOSA-N 438.488 0.122 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 521311829 LSHUSDFYKBKUTG-INIZCTEOSA-N 434.518 0.475 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)ccc1OCC(F)(F)F 522765646 LTTVQJKISYVPHC-AWEZNQCLSA-N 438.366 0.957 30 20 ICED CN(CC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 538895486 ONHOSVPSYLXRGC-UHFFFAOYSA-N 426.458 0.702 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCC(=O)N1CCN(c3ccccn3)CC1)CC2 555770916 VFKJROVCQRZJQR-UHFFFAOYSA-N 432.484 0.697 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 557641456 YYJITQDVCQONDO-WMZOPIPTSA-N 429.521 0.497 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 558292788 UZELZJCWYFZXKH-AWEZNQCLSA-N 436.484 0.467 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCN(c3ccncc3)CC2)c1 564439741 SWNAZOIJYMKTKC-UHFFFAOYSA-N 442.545 0.560 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 564624833 CJGGOJPOVOCDBY-UHFFFAOYSA-N 441.513 0.937 30 20 ICED COCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 568688449 PKICFCLZDQUTHQ-IBGZPJMESA-N 428.489 0.429 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCCN3S(=O)(=O)N(C)C)CC2)o1 589096318 XDEWEGHYKQBFBZ-INIZCTEOSA-N 438.554 0.848 30 20 ICED N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@](F)(C#N)C3)cc2)C1 589290755 YUCNBJAKYJAMRC-HOTGVXAUSA-N 430.458 0.939 30 20 ICED N#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 727844896 SSLDIPJVSUBMQY-UHFFFAOYSA-N 447.473 0.497 30 20 ICED C[C@@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNC1=O 729060884 MBMNIUSLGMMFTR-CYBMUJFWSA-N 436.490 0.769 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCS(C)(=O)=O 729673170 GIMCKBXNUWNJEJ-UHFFFAOYSA-N 437.568 0.130 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 731863577 ZTYOYQYUPHFPDG-ZJYNUGOYSA-N 448.501 0.400 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 733149264 BZOKIIXTTGSOFL-UHFFFAOYSA-N 432.575 0.919 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CC1 733150782 UTIUSEZWODJRHZ-UHFFFAOYSA-N 431.884 0.222 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 733650516 QJHLSVIUEZSOEN-FMQUCBEESA-N 446.552 0.537 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 742277208 TYAGFCGTERTEGE-UHFFFAOYSA-N 442.450 0.084 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 743912134 XXZOSHXYEPCDOF-UHFFFAOYSA-N 427.482 0.812 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@]3(CC)CCC(=O)NC3=O)cc2)C1=O 748564007 HMMPMHMGMAKPMS-NRFANRHFSA-N 426.429 0.686 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 751644783 MNJYDEBUEOHZEV-MJBXVCDLSA-N 437.499 0.304 30 20 ICED CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 753927089 ADLDADZUIFNHLU-HOTGVXAUSA-N 427.552 0.996 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755619796 QQGQRCOKNSYLLQ-UHFFFAOYSA-N 431.562 0.444 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 757157533 PRQDGWYNVBYGEU-AWEZNQCLSA-N 439.501 0.514 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Cl)ccc2F)c1=O 758040949 OEEGCFHIGPQIRA-UHFFFAOYSA-N 433.892 0.991 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758762296 SNWBEQNEPQQGJY-SJORKVTESA-N 436.557 0.941 30 20 ICED CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(S(C)(=O)=O)CC1 759468248 DSZRVRQMZCBBNP-UHFFFAOYSA-N 442.563 0.388 30 20 ICED N#Cc1cccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC2)n1 761036485 IBCKVMNEWLMYGK-SFHVURJKSA-N 436.472 0.772 30 20 ICED C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 770909027 NAMJSKFAGVGPFC-INIZCTEOSA-N 430.845 0.996 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771077741 LLDPJXKDUHXQAK-SFHVURJKSA-N 434.474 0.602 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(OCC)n2)CC1)c1cc[nH]n1 772232152 WXVGALGSVMUHIV-UHFFFAOYSA-N 430.465 0.836 30 20 ICED COC(=O)Cn1cc(C(C)=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1 772834087 XZPVQCITMARVGI-UHFFFAOYSA-N 442.505 0.960 30 20 ICED C#CCNC(=O)C1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 778251262 DBVZGEAKFCFZLB-CMDGGOBGSA-N 438.528 0.888 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)O[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)c(=O)n2C 778756747 GPPGAZPOFLHVQI-HNNXBMFYSA-N 436.428 0.044 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCCC1 779316630 SVODRQCNKANGLI-UHFFFAOYSA-N 446.576 0.896 30 20 ICED CNC(=O)CCCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781234869 VYUOTGZTFHGJQW-UHFFFAOYSA-N 429.433 0.914 30 20 ICED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785081659 OIVQUDRIUVWXAW-VKQKCINQSA-N 449.533 0.565 30 20 ICED COCCn1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 789747396 REFPONQIBZDJHX-HAVVHWLPSA-N 448.505 0.920 30 20 ICED Cn1nncc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 807937707 KRJMCCJANZQNLW-OAHLLOKOSA-N 427.490 0.714 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)NC(=O)NC2=O 823630162 BTIGKZUAZAIPDN-AWEZNQCLSA-N 447.517 0.485 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916867733 GGCLRYYMQLQVEL-CVEARBPZSA-N 440.522 0.944 30 20 ICED CC(=O)NCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 917229133 VVMATOLEJIUHCM-UHFFFAOYSA-N 429.454 0.899 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116392527 ZQCTWNJPFMMHBP-CYBMUJFWSA-N 429.473 0.345 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 1290865224 NBAAHNROPVPXKY-KRWDZBQOSA-N 438.584 0.989 30 20 ICED CN1CCC(C#N)(NC(=O)Cc2ccc(CC(=O)NC3(C#N)CCN(C)CC3)cc2)CC1 1320510221 KPXZXTHBIYDWHB-UHFFFAOYSA-N 436.560 0.980 30 20 ICED Cc1nc(N2CCCCC2)sc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1324155955 KHLHNSKJNRIPLD-UHFFFAOYSA-N 426.524 0.152 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1509757341 LEABQZMDIQKDGS-OAHLLOKOSA-N 425.493 0.920 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1510220961 NZPNZAVESWVCHV-CWRNSKLLSA-N 432.506 0.621 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1612917843 QHEVVLOJPWYHJS-AWEZNQCLSA-N 431.522 0.375 30 20 ICED CN1CCN([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c2cccs2)CC1 1677114907 NMKRJBHXWJGKJF-HNNXBMFYSA-N 431.522 0.170 30 20 ICED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1740797467 PSTXQNBPANGLLT-RDJZCZTQSA-N 445.549 0.816 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1766396685 QNANNWZADWTHPM-UHFFFAOYSA-N 447.503 0.950 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779311330 OGTLLHSOHRIUKP-NFBKMPQASA-N 442.516 0.472 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1780698349 DEYFENDHSJZPDG-WZONZLPQSA-N 425.533 0.638 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(F)nc3)C[C@@H]21 1783529369 LHLHGLXXNARDEV-NEPBSLMDSA-N 444.507 0.991 30 20 ICED C[C@@H]1[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1783569590 WLYBEBNMRLWJHN-MCFFVMPBSA-N 449.504 0.550 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784012874 DUUJZYJWZHOBHO-GLDPYIMESA-N 439.512 0.855 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 1784477678 JJTDHRHILFDQID-OZMCLOMFSA-N 428.485 0.844 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1785381923 IXEIKRBRQPOKGA-QFIPXVFZSA-N 437.456 0.636 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1785572039 HAOYDSJYZKGTHC-HTAPYJJXSA-N 443.504 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CN)c3ccccc3)[C@H]2C1 1786922070 OGFBOICQGZPQMN-WOZUAGRISA-N 441.576 0.990 30 20 ICED Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cn1 1787012557 BEGXTLXUVXXPRF-WYUUXHQOSA-N 447.536 0.861 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788638095 QRNQWLZOVWEDJA-QWQQUQAHSA-N 440.493 0.052 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788682581 IUWBHMXLKLJFKX-KIZRCPAZSA-N 432.521 0.983 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C[C@@H]21 1789891296 LKFOADIAWGHMAK-GTYQWKCWSA-N 433.549 0.816 30 20 ICED CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1792606934 MPVRHQAIFOWAEE-DUVKUMBUSA-N 436.553 0.837 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c1 1792832495 SYPNXSAXYNUOSH-HGKCTWBKSA-N 437.456 0.595 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2[C@H]1O 1793033543 ULPPJDYTYGWXQP-DWADQXAYSA-N 426.513 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1793345560 WPFXCEWRGGWVLA-LJCCNALRSA-N 444.484 0.077 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793570914 CWKZHYKZVMOPSV-PLYYQAHHSA-N 439.472 0.969 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)n1 1794280440 NHALEYHSUSULJV-LORHWOILSA-N 430.505 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1797712401 GHUIVGGTECSXEV-RCLSDMTESA-N 443.544 0.888 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1801050854 JCLXALOAANDRCI-PDPLOHQNSA-N 447.532 0.361 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCC1 1801548096 NGQJYNVCZXFZPX-XMTFNYHQSA-N 433.505 0.797 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1802479833 ZBEZPLIIQUGFQO-GLPQSPQZSA-N 436.472 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2(C(=O)OC)CC2)[C@H]1c1cccnc1 1802489755 LTMICDQLMXVFRT-RJARYPFESA-N 440.500 0.899 30 20 ICED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195273 VQZRIQLRLGOSKJ-XLIONFOSSA-N 433.534 0.122 30 20 ICED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1806859970 CFYUURHYHZCBRO-FXAWDEMLSA-N 433.534 0.122 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807116207 QKPTZSTVFWJTKI-HYTHXXMKSA-N 440.552 0.399 30 20 ICED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807116416 TTYXTEAGDDRBDG-RCMSRTDESA-N 437.504 0.639 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393120 ATMGYDSFQUOZPH-RDJZCZTQSA-N 427.461 0.324 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812812886 QCNCZNCGDDUEOP-HNAYVOBHSA-N 430.461 0.700 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1 1814439323 GVKSJMCFERZRKE-LWULTOEVSA-N 449.533 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2CCOCC2)n[nH]1 1817177348 ZCQUCUXAYRZDGH-MJRGOJFPSA-N 444.536 0.983 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817295290 VAJCREZOLAEVFW-OHHQFBAHSA-N 429.529 0.713 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)COCCOC)C2)C1 1829262401 OJTWGIZFZGPXQV-HSZRJFAPSA-N 443.500 0.735 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831387899 SSDPHMYRQUDORC-JTSKRJEESA-N 430.505 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1831391265 LTUFJWIDXLTEQE-FDDCHVKYSA-N 430.501 0.732 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC)c3ccccc3)C2)C1 1831391759 UXIKBZRVUHAEBN-XQFWAAQXSA-N 430.501 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1831392416 DJUZDJOMLFOMDO-ISMCVSHCSA-N 427.501 0.777 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831488663 ZGVUEIINTZLITF-SUMWQHHRSA-N 427.483 0.342 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887781 FIUMBRUIJHLVFV-KKSFZXQISA-N 434.493 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1833073963 TZLMNFGYGYBGFK-PLNGDYQASA-N 444.536 0.169 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1833468420 RVRHXLPCHJILLI-ZGXWSNOMSA-N 430.593 0.937 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)c1 1834398011 FMOZSYCOJGLJEF-UHFFFAOYSA-N 433.534 0.584 30 20 ICED CN1CC(C(=O)N2CCC(N3CCC(NC(=O)C#CC4(O)CCCCC4)CC3)CC2)C1 1835754036 MFMREGKBZMEULV-UHFFFAOYSA-N 430.593 0.818 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836206543 RBENWUNVAOUUAU-OAQYLSRUSA-N 443.891 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836371525 YEWUSDORRIPSDO-WOJBJXKFSA-N 447.624 0.232 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)C1 1836520622 OHDJUPNZNRQKFR-KTBYTZPXSA-N 433.530 0.505 30 20 ICED Cc1cccc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)[nH]c12 1836856477 GQNFWTATWNRMEC-QFIPXVFZSA-N 425.441 0.634 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837108170 SSTVNJRSUXHOOC-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837244872 YYJDIHPRYWDMNX-UVDDSOTQSA-N 447.557 0.981 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837286650 GYGSKLXKMIVLRP-XWQURZDVSA-N 449.548 0.292 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837399000 LIMDTVASWPDQPT-QRWLVFNGSA-N 438.912 0.773 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441232 XQSZFQRAKQBBGT-YQNSVDCASA-N 445.520 0.632 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837488819 SXJNASMVTFJKNL-NRFANRHFSA-N 433.530 0.912 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837563337 WUPWYBOTHOCMIG-LWOHLBADSA-N 429.477 0.360 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738105 QJRIAAZEIGAXMF-QVKFZJNVSA-N 431.493 0.261 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839074579 SYTGVBAZRKUXSW-IFXJQAMLSA-N 431.555 0.674 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839715277 OUYSJIZOEPKHFV-HSZRJFAPSA-N 444.532 0.347 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CC1)CCO2 1839787626 FQMSFQUWMUJDIA-NRFANRHFSA-N 446.887 0.916 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810900 XJWDUSQNGMXHBF-NLSFWIRASA-N 447.532 0.723 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839886709 JTJYQWUMLUVASI-GOSISDBHSA-N 433.521 0.703 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044897 FTXKDHPPUMUJMO-ZHRRBRCNSA-N 425.441 0.472 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840161583 UQEKTSCDJVJLJL-KZULUSFZSA-N 431.461 0.632 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1 1840163546 JXCACCRZRLCIST-KKSFZXQISA-N 445.545 0.964 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840842926 KABMBZRXWPULDW-SFHVURJKSA-N 428.411 0.922 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840854770 MQINDSXQSDULBC-OFNKIYASSA-N 442.516 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1841054012 AVWKAGZQTXZSFV-LMVHVUTASA-N 441.488 0.055 30 20 ICED C=CCOC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844215482 LIHHOVQANYKZRV-OAHLLOKOSA-N 449.508 0.909 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O 24788922 JDOJFPTUKHJZAW-UHFFFAOYSA-N 436.852 0.853 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 427805507 PIRORMMWGUWAGV-DOTOQJQBSA-N 433.534 0.829 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 429931512 TTXOXRHIOBOROC-CYBMUJFWSA-N 427.552 0.968 30 20 ICED COC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 439280126 UPPVZGPACVNWSK-WMZOPIPTSA-N 436.534 0.127 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289495 LVHWRHZATYSTIL-IUODEOHRSA-N 427.493 0.880 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)c1 440270043 RWDIYFKJTNUIDQ-SFHVURJKSA-N 428.470 0.965 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 443665462 INDJTKGKWIACII-UHFFFAOYSA-N 430.555 0.338 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 444740437 WBCVXGMDBXLOKG-MAUKXSAKSA-N 443.460 0.453 30 20 ICED CCCn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 448483158 HLLJVKDHICOHOM-UHFFFAOYSA-N 430.490 0.636 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 460595921 FBIJHVAIRPSXAC-HZPDHXFCSA-N 425.493 1.001 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1 478846099 QKUXUGRQBQXKFO-INIZCTEOSA-N 428.510 0.971 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 482174045 GCXRENPBNGVHBS-KRWDZBQOSA-N 447.561 0.382 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)n(C)c1=O 496345420 WIOLTCJUZRGWLC-ZDUSSCGKSA-N 445.277 0.967 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)c1 500819500 AKIRPJPHURJNQT-UHFFFAOYSA-N 435.893 0.982 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 511808442 NGAIHOBBMVLTAB-HNNXBMFYSA-N 448.545 0.861 30 20 ICED Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)N2CCO[C@@H](C#N)C2)c1 512190748 AQNZRNCUUBBNNT-LBPRGKRZSA-N 431.312 0.970 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cc1 518146391 VZDCDHHWJKCKKC-UHFFFAOYSA-N 444.517 0.570 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 518243312 ICUMAPFUDUIZHD-UXHICEINSA-N 431.489 0.865 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 518247141 MUWDCLYSRXCNRZ-QKLQHJQFSA-N 441.532 0.343 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCCO1 535333753 YCCOTMHMPSAWIL-INIZCTEOSA-N 445.516 0.884 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 559375744 AOJVUNGIQGZHMC-MRXNPFEDSA-N 445.549 0.506 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 560054847 OGEUCAOIDWXGBR-UHFFFAOYSA-N 448.483 0.713 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc(OC)c1OC 571664362 PZJLWJHPKYYSJR-HRCADAONSA-N 433.461 0.800 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN(C)CCOCc2ccc(C#N)cc2)c(=O)n(C)c1=O 576378978 FSAOBCZIAXIZRI-UHFFFAOYSA-N 427.505 0.988 30 20 ICED CN(CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579032159 WTJFCXKEQBIJLY-RTWAWAEBSA-N 437.544 0.966 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)CS(C)(=O)=O 580854743 ADXHEVVPQRHJEK-RHSMWYFYSA-N 434.518 0.451 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4cccn4C)CC3)CC2)o1 603888528 ZZCHXGLOGLCICY-UHFFFAOYSA-N 425.493 0.300 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)C2=O)cc1 609610020 RFDSJOHFQGMAOL-CEXWTWQISA-N 425.489 0.821 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 670198992 CUXXBDFUWBWBNN-OAHLLOKOSA-N 425.559 0.802 30 20 ICED CCOCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402082 DJHIIAGEYBEPOH-OBAOGOGRSA-N 442.563 0.697 30 20 ICED COCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402258 DOPMEFQTGHLPIV-UDJKBAMHSA-N 440.547 0.449 30 20 ICED CN(C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 728718385 MNQUJXVGZRNVIR-HIFRSBDPSA-N 443.909 0.768 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)NS(C)(=O)=O 731651423 LCAHYNLGOMSWDD-AWEZNQCLSA-N 444.579 0.584 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)C)c3)c(=O)n2CC)CC1 732796760 HQMOQBYNPIIYCW-UHFFFAOYSA-N 428.562 0.374 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910386 PEKSLZCHGFLQNJ-INIZCTEOSA-N 441.531 0.297 30 20 ICED CN1C(=O)c2ccc(NC(=O)COC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2C1=O 741341036 ORJYIESQTNSOGI-ISLYRVAYSA-N 426.385 0.311 30 20 ICED C[C@H](CC(=O)NC1CCN(CCC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655542 SMCIBIOHAPJUTN-OAHLLOKOSA-N 449.577 0.563 30 20 ICED CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1F 744131286 VKQMMFDAXIZSBQ-GDBMZVCRSA-N 427.429 0.498 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)CC1 746501834 MKTXYDNZYOVDKB-HXUWFJFHSA-N 432.590 0.763 30 20 ICED C#CCCN1CCC(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 748671863 XSOVFGNJHFEOGV-FQEVSTJZSA-N 434.518 0.516 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C1 755551184 XCQLFBXOLJCAFJ-OCCSQVGLSA-N 436.490 0.904 30 20 ICED C#CCOCCC(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 756566562 WDZJGQTVAMPIEF-UHFFFAOYSA-N 430.280 0.484 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 757157537 PRQDGWYNVBYGEU-CQSZACIVSA-N 439.501 0.514 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 763460579 KKXNVOUEVPGMLH-UHFFFAOYSA-N 433.493 0.118 30 20 ICED Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccon2)c1=O 765144334 INYFOMQLAFBSOR-UHFFFAOYSA-N 429.527 0.986 30 20 ICED COCCC(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 768356917 ZAFTXNLWKRGRRE-UHFFFAOYSA-N 436.534 0.649 30 20 ICED N#Cc1ccc(OC2CCC(NC(=O)NCCS(=O)(=O)N3CCOCC3)CC2)nc1 768935794 FZMULGVWFPQEDI-UHFFFAOYSA-N 437.522 0.604 30 20 ICED N#Cc1ncn(CC(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)n1 769239413 WEQSVUFGGQMAKQ-UHFFFAOYSA-N 425.421 0.463 30 20 ICED C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)/N=C1/NS(=O)(=O)c2ccccc21 775550909 PGRADXXWXOLFRW-GFCCVEGCSA-N 429.506 0.772 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 780743950 HXWMEENNRVEJKM-UHFFFAOYSA-N 445.910 0.976 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 784925930 LYUGNZPQKLUQJA-UHFFFAOYSA-N 428.464 0.910 30 20 ICED COC[C@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 785125872 XSJCZLVIWIOYJU-GXTWGEPZSA-N 438.911 0.503 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 787773517 AEIWVZZMHDOZPI-UHFFFAOYSA-N 433.394 0.642 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)[C@H](C#N)C1 795123814 CIBYNCPTJAEPCY-GFCCVEGCSA-N 430.508 0.619 30 20 ICED NC(=O)C(=O)Nc1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 801511989 MNCKQVYBLHQFOF-UHFFFAOYSA-N 429.458 0.568 30 20 ICED C#CCN=c1nc(N2CCC(F)(F)[C@H](CO)C2)[nH]c(N2CCC(F)(F)[C@@H](CO)C2)n1 812480289 AAGOBNJQBXCSQT-BETUJISGSA-N 432.422 0.246 30 20 ICED Cc1cc(Br)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O 814883234 FSOJMYITBYFESB-UHFFFAOYSA-N 431.268 0.173 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 914757331 SPGCIUPKDUPYCV-HIFRSBDPSA-N 427.548 0.691 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 919049915 CMMAYHFMAXJVPR-CQSZACIVSA-N 438.506 0.361 30 20 ICED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CC1 919963806 HGRXXOAFZUJALC-UHFFFAOYSA-N 431.518 0.447 30 20 ICED CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 1116279885 OEYLBTLMSAAXEH-HUUCEWRRSA-N 431.518 0.864 30 20 ICED CSc1nc(O)c(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1C#N 1144077734 ASMGNECBVNAOJT-UHFFFAOYSA-N 446.577 0.691 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1286857358 QRTIDOBSBJOOBX-YCPHGPKFSA-N 425.559 0.885 30 20 ICED N#CC1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1316535413 NMWGSXNEMDIUGS-UHFFFAOYSA-N 430.534 0.944 30 20 ICED COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OCC(N)=O 1319690813 IHKNUUVJZZWILW-UHFFFAOYSA-N 444.513 0.937 30 20 ICED CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1321570058 UOJYWFBDLFOJKC-QGZVFWFLSA-N 440.481 0.917 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1611308710 SJZLEGJECJKFPH-KBPBESRZSA-N 429.568 0.743 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 1628652836 VFKMVFMRGVVTOE-LJQANCHMSA-N 426.498 0.796 30 20 ICED CN1CCN(C(=O)CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1637760796 JJBYGPQCFQJFOI-UHFFFAOYSA-N 426.477 0.913 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c(=O)n1C 1656779079 RXNGCSQCDLTEAK-OAHLLOKOSA-N 432.433 0.210 30 20 ICED CC[S@](=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1710912213 BBZXBNADTJOOPZ-YSVRNHBLSA-N 441.517 0.689 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1722865295 ZHTAPEQAWFEZKN-HZPDHXFCSA-N 440.618 0.510 30 20 ICED CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1729199417 GHUBAHYPDYMVCS-CYBMUJFWSA-N 432.572 0.453 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1740739162 PIJDEMPIQHIGQZ-RYUDHWBXSA-N 447.359 0.608 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1 1749084291 VWNAIFCKLJEXBA-AWEZNQCLSA-N 425.331 0.944 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)n1 1751853459 IJIGKIZUHDKWEX-MOPGFXCFSA-N 428.541 0.715 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1769442648 ODOSJZJKUNIBQD-JTSKRJEESA-N 440.504 0.795 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382706 PVOAZXVVTFFEAE-IBGZPJMESA-N 437.447 0.672 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1779037747 IHVOBMOUJOMTES-NRFANRHFSA-N 429.546 0.680 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c(F)cccc23)C1 1779096913 DPAZCZPVGKTHRS-QVKFZJNVSA-N 428.420 0.918 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779311331 OGTLLHSOHRIUKP-NZQKXSOJSA-N 442.516 0.472 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(-c3ccccn3)[nH]n2)C1 1779770096 YXDMJDKYWADAJP-XMSQKQJNSA-N 437.456 0.687 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CC2)C3)cn2[nH]cnc(=O)c12 1780018459 FCXITKLUUPDVIJ-OPAMFIHVSA-N 438.488 0.762 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780803305 GTBZYKWORYGOHP-QCBUCWTNSA-N 425.530 0.748 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792746 XSUATEXMZFUNCL-YADHBBJMSA-N 429.473 0.812 30 20 ICED CC(=O)Nc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1782995818 NDONBNWKBSABHD-XMSQKQJNSA-N 427.457 0.861 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046727 USCITSGYOHKFEH-VXOKLSRESA-N 441.550 0.111 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21 1783531639 QRLQHWFYBQOQPC-MYVDIJBLSA-N 437.447 0.730 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(C(F)(F)F)n1 1783567285 SQMFJPKVKSAIAF-SFHVURJKSA-N 441.362 0.641 30 20 ICED C=CC[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783567975 LGWAZJMBOKYSTJ-OPAMFIHVSA-N 449.504 0.764 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784545184 CRKAQEHMMHDZIS-HTAPYJJXSA-N 429.521 0.961 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788374360 BZVFNUTVPMXHFL-BZSNNMDCSA-N 439.520 0.604 30 20 ICED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788407482 UITDTMBFIBAPLH-ZDUSSCGKSA-N 435.444 0.599 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601571 MWIIUUNPDKVUTB-RVNWWMBNSA-N 448.593 0.464 30 20 ICED N=C(N)SCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658633 SLBUDKDUKHKKAD-LQGALOSXSA-N 427.527 0.122 30 20 ICED Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)c(=O)[nH]c1C 1788676965 CBUICCLNGINCOV-FZVSVVEMSA-N 441.488 0.692 30 20 ICED 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](O)C1 1792451680 PWRPODQDOKMLDU-ORDFZIBCSA-N 436.509 0.108 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829374 CFLRHHQPDIQEBC-KBMWQNTOSA-N 447.557 0.761 30 20 ICED 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)C1CC1 1793061861 AEWKPEPFKGVFDC-UIVXKWKOSA-N 449.504 0.357 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2 1793345178 NJTKAGKMKILZEU-KOFHJDLBSA-N 431.880 0.853 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1793349094 GKLVZLCPGQQGPI-GFISCPRKSA-N 438.550 0.361 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2nc(C)no2)c1 1795816682 WEYIGTGTSKXPNB-CWPLJXCYSA-N 425.445 0.704 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796276995 AGOJQILLHZGLTH-FAQVEIGNSA-N 446.467 0.883 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)OC(=O)OCC)C2 1799306957 TUPFIFSPUNNQTJ-PNBKFKSVSA-N 426.466 0.647 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc2nn[nH]c2c1 1800142933 NUQIVGGVJJCSMB-UPHUGPLXSA-N 437.500 0.860 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C[C@@H](C[C@@H]3F)N1C(=O)OC(C)(C)C)C2 1800454868 MBQYYYGAGYAKSV-HLUDHZFRSA-N 435.496 0.945 30 20 ICED CN(C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccc(Cl)cc1 1800778882 JEAOBODTKJFMQJ-HRYATBACSA-N 433.892 0.620 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)n1cncn1 1801357986 FJCRQCXYKXFESA-AQBJHWSWSA-N 429.502 0.929 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@@H]1c1cccnc1 1802895384 XBORLZLVSBUYEA-XEHJXZTKSA-N 434.496 0.900 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1803543402 BWXLYAJJCSPLEV-WRWLIDTKSA-N 440.460 0.931 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1803905045 QLBBTDWQKHRWJQ-IKGGRYGDSA-N 448.520 0.868 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804182868 ILNWHQCRXDCGDZ-OLMNPRSZSA-N 433.534 0.594 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807190338 IZAFTAMDYQJULD-UOLQTRPBSA-N 440.504 0.392 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)C(=O)O 1807203538 AIKPJUUECCYIQF-SCTDSRPQSA-N 444.536 0.432 30 20 ICED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)C(=O)O 1807206910 XSSLYQRNLYEBKI-KZIFJGCASA-N 441.488 0.862 30 20 ICED O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1808949259 YPVOMQXCMGGUAT-KHGMKUEQSA-N 441.492 0.908 30 20 ICED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811448969 HWMBKRXDXWCHAZ-WCPKMUBPSA-N 437.504 0.956 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819880084 JIUPGKKIUYKPJN-IERDGZPVSA-N 440.525 0.757 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819907243 NKSBJLLMZHDIFX-VIWRWNOBSA-N 435.506 0.720 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1820893343 YILLCRBPAIIGLQ-CQSZACIVSA-N 446.464 0.463 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674788 FSUUYBAUNPDRJF-OCCSQVGLSA-N 440.481 0.962 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1831216339 LMMIQKFQWWYMMU-NRFANRHFSA-N 435.427 0.727 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831427481 WMUAUQAIGMLCET-IERDGZPVSA-N 429.477 0.390 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833199493 BLTBJEWKFHWFFB-IIBYNOLFSA-N 426.477 0.489 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833689571 PTOHKQWOHDROSB-MRXNPFEDSA-N 448.568 0.967 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CC)C3)C2)c(O)n1 1833696046 PKEGOSAUVBTWAJ-XMSQKQJNSA-N 433.505 0.747 30 20 ICED CC(C)(C)n1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1833960423 XPWQGMMPIQWWTD-UHFFFAOYSA-N 429.521 0.911 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5snnc5c4)C3)C2)CC1 1835345676 UENGLWHAXKCRRJ-LJQANCHMSA-N 428.474 0.460 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836783963 FZRULLODLQZKFA-QMHKHESXSA-N 443.500 0.842 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836995185 ZYQUXBUDUGNWPM-QHCPKHFHSA-N 441.484 0.891 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837314365 PPXSRUBDEVKZOU-YLJYHZDGSA-N 428.551 0.646 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837396047 AOXKKGMCPNCNNU-XXBNENTESA-N 442.516 0.977 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837491678 TYBGDFWNPUIPPL-QFIPXVFZSA-N 428.489 0.245 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837524267 DKBXAIXUOHLSGP-SNLHJCLZSA-N 433.465 0.076 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837844332 LJPMEIOSODTTPE-UHFFFAOYSA-N 442.520 0.419 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838409177 ZSWJXSFJIYJHRF-VUISEMPFSA-N 432.521 0.420 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732589 WCHOKGTXUFYBHG-OAQYLSRUSA-N 427.461 0.804 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388322 NOBNTZLSSYMXJO-UTKZUKDTSA-N 439.509 0.089 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839723890 WYSPJSBFHWKYGB-JOCHJYFZSA-N 439.472 0.359 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(F)(F)F)c3)C2)C1 1840040834 ALPSKCJIVISHNI-SFHVURJKSA-N 441.362 0.258 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062821 XXXLNCYBTIETQB-RHUWMCOTSA-N 428.445 0.569 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840162655 DAQCOGBZWCQPFB-IFXJQAMLSA-N 431.555 0.674 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840800996 DVJOFDCSVOWXBR-OAQYLSRUSA-N 438.525 0.907 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813301 RPJBQAFIMOOWOY-JOCHJYFZSA-N 441.488 0.804 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840852724 XQYWCQSSUZFIAX-XUZZJYLKSA-N 441.528 0.799 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840854974 SXAZHKCMJTZLQV-OFNKIYASSA-N 442.516 0.933 30 20 ICED O=C(NCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc[nH]1 1842015249 CVRYSMZMQMUMKD-BBMHEYIBSA-N 431.493 0.867 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780750 PWJPAPRSTAHNTR-JLTOFOAXSA-N 441.550 0.704 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cc(=O)n5[nH]cnc5n4)C3)c2c1 1843009532 JFUBEFTWTQTWKB-UHFFFAOYSA-N 443.427 0.296 30 20 ICED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)c1ccccc1 1844337452 XMUBHSYWWRPWSS-SFHVURJKSA-N 425.485 0.930 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 410125116 YTWJLOZKTUKYHZ-UHFFFAOYSA-N 428.536 0.328 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC3CCN(c4cccnn4)CC3)n2)c(F)c1 429969310 NSRJRFJPKHMQKK-UHFFFAOYSA-N 434.435 1.397 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 434087720 RPQUUGYJKCSYCW-MRXNPFEDSA-N 428.536 0.421 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 434790219 RYDWJDCRPPVXTG-UHFFFAOYSA-N 444.517 0.981 30 20 ICED COCC(=O)N1CCC(Nc2ccc(C#N)c(NC3CCN(C(=O)COC)CC3)n2)CC1 436308286 MLPZVFWULLPABU-UHFFFAOYSA-N 444.536 1.052 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440392854 SJURXNFMJUAMQS-UHFFFAOYSA-N 428.470 0.355 30 20 ICED Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442416554 HLSYYUIXKIAKAO-SFHVURJKSA-N 448.487 1.087 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 443554322 UJAFCWVYMSUFNY-OAHLLOKOSA-N 444.538 0.536 30 20 ICED COc1ncc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C(N)=O 446191047 GFBPYEIOKZJALP-UHFFFAOYSA-N 438.444 0.901 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)CC1 446528085 CPSZPZQXWAGIQW-UHFFFAOYSA-N 442.564 0.447 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CN1CCOCC1 465418375 UAILRSWFYWCRPA-KRWDZBQOSA-N 449.515 0.856 30 20 ICED CC(C)C[C@](C)(CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 467285424 FTRXCDKSLQHARM-CKFHNAJUSA-N 426.485 0.472 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 481947646 MXBMVIIJJFLIBF-UHFFFAOYSA-N 446.554 0.535 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(Cl)c1 490468333 HPACPWANUJXFJI-CYBMUJFWSA-N 428.898 0.755 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1=O 514364047 VGDCYKBSHDORDY-UHFFFAOYSA-N 448.501 0.454 30 20 ICED CCc1nn(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c(=O)c(C#N)c1CC 521958407 COSNBBZVOKXFPL-UHFFFAOYSA-N 448.483 0.614 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOCC 522283506 SGHPSDLKMONKTD-UHFFFAOYSA-N 443.525 0.769 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 522284189 RNLASKLNTWVIAL-UHFFFAOYSA-N 428.470 0.636 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 523240088 UMUFCVVOIDZCAF-SFHVURJKSA-N 435.550 0.551 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532197100 CKKKAXJVDAHRSA-CQSZACIVSA-N 444.473 0.877 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2CC)c1=O 533120357 KASOXHPPDATILV-UHFFFAOYSA-N 438.513 0.699 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 534255938 IZGLAVRKWSBCCK-OAHLLOKOSA-N 427.486 0.605 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)C1 537682517 WTLJFTGINAQZOD-MIGIFJNASA-N 448.612 0.851 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)nc1 557473941 GEISHZKTCKVSJZ-RBUKOAKNSA-N 427.505 0.646 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1)C(N)=O 557734314 GRKQDSXBWKALNT-UHFFFAOYSA-N 449.533 0.111 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 603790425 PPUYVDUQDAOBFZ-UHFFFAOYSA-N 432.505 0.715 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCC[C@@](C)(C#N)C2)c(O)nc1=O 612365472 WQBSUQBOHOREON-NRFANRHFSA-N 448.524 0.853 30 20 ICED CS(=O)(=O)Cc1nc(=NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o[nH]1 613212182 WFAHCFNMTRZPFU-UHFFFAOYSA-N 432.462 0.790 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 727010665 HYOXKLPAAIHLAC-GOSISDBHSA-N 447.513 0.790 30 20 ICED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727751363 GNBSFRVKBHNNDL-LBPRGKRZSA-N 436.515 0.592 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 729257248 YCBOSSQVCGNGOG-UHFFFAOYSA-N 435.546 0.533 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCS(C)(=O)=O 729671219 KNWWQGZJPAUNBO-UHFFFAOYSA-N 449.529 0.207 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 729924669 UERQIEVPABKYRY-AWEZNQCLSA-N 434.474 0.545 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 732455096 CRSWLSPQBWTKOU-RWNPKEDZSA-N 441.488 0.921 30 20 ICED O=C(NCCCN1CCN(c2ccncc2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 732459354 URDMZKUJKVKLEF-FMQUCBEESA-N 427.509 0.419 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)(C)CN(C)C)c2=O)cn1 732563504 BCHKNMAVWKHKLK-UHFFFAOYSA-N 444.605 0.742 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 733837762 OSYICKBNXRIHFI-IXDOHACOSA-N 433.486 0.502 30 20 ICED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 735768818 OYYPSEMIIDHCBS-INIZCTEOSA-N 448.505 0.539 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758117866 VHFATWQEUBGTQI-QGZVFWFLSA-N 443.573 0.971 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)C(=O)OC)C1=O 769135201 OEIDBWQIXZQGFG-SNVBAGLBSA-N 434.380 0.032 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[C@@H]1CCCO1 773545088 AREVONUDEZIYQA-WBVHZDCISA-N 448.501 0.214 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 779538512 YEHDJLRFKXHCMZ-RELWKKBWSA-N 435.550 0.992 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783942629 LKTMVTOTKAHZIO-UHFFFAOYSA-N 448.888 0.899 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 789119637 RQLFWSYARCFHEX-IIBYNOLFSA-N 440.456 0.822 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCSC2)C1=O 794440190 BJGYGNVTZVKAEW-LZHUFMSSSA-N 442.588 0.776 30 20 ICED N#C[C@@H](C(=O)c1cn2ccc(Br)cc2n1)C(=O)N1CCS(=O)(=O)CC1 797023891 MJYZVRZLYXZWFQ-NSHDSACASA-N 425.264 0.676 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 816126735 QPFFBGYGZUPYBY-ZDUSSCGKSA-N 429.414 0.715 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)ccc1F 914470518 JUHXQVNBJHVJRF-HNNXBMFYSA-N 447.554 0.481 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1COc2ccccc2O1 916486336 MDXHCPJUHQOVLO-ZDUSSCGKSA-N 445.453 0.225 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C(C)(C)C#N 919350781 VUKHDMZNSHFIFE-UHFFFAOYSA-N 425.463 0.748 30 20 ICED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1122707727 NBJKKDVBYOTQHO-RRFJBIMHSA-N 433.486 0.768 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(C[C@](O)(c3nccn3C)C(F)(F)F)no2)C1=O 1321085293 HQMMIXINPLNFOG-HNNXBMFYSA-N 428.327 0.273 30 20 ICED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C 1510067247 XCINGQDKABEIKJ-HOCLYGCPSA-N 425.559 0.301 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1510153753 DVGMNVWLSXAUAJ-IFXJQAMLSA-N 434.522 0.548 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552394696 PKXWBLXVJRJCHL-KRWDZBQOSA-N 430.538 0.456 30 20 ICED N#Cc1nc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1Br 1626720900 KZEJRCCIDBCRDP-UHFFFAOYSA-N 437.298 0.724 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1641699256 VZZNTTQZONONBW-OAHLLOKOSA-N 429.502 0.575 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4nc[nH]n4)CC3)CC2)cc1 1643962415 NPFJXYKAVPWXPM-UHFFFAOYSA-N 429.506 0.426 30 20 ICED CCOc1ccc(NC(=O)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1672546543 QHOIQOQNTIIROD-LJQANCHMSA-N 438.506 0.989 30 20 ICED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1711620479 TYGPVJVENPIICL-QGTPRVQTSA-N 426.543 0.824 30 20 ICED Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1748067764 MGHNETNAHNHNTP-UHFFFAOYSA-N 441.517 0.977 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)nc3n[nH]cc23)C1 1777784198 GTQHXHXBERKTKL-JLTOFOAXSA-N 445.863 0.827 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120841 DATSXYZKICYXSI-AOMKIAJQSA-N 435.521 0.722 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1779014902 KORBQROCQNMIDG-TZWBQFSNSA-N 435.569 0.839 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c1 1780169551 VJDYSPGQOUFGSV-JOCHJYFZSA-N 428.489 0.879 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C#N)c1 1781175209 DMWXHUWPYWQAHU-KPYOPSEVSA-N 425.485 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C[C@@H]21 1783530844 NGWCIEYDGASVSS-CMVIXEIWSA-N 441.532 0.911 30 20 ICED COc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1OC 1783557607 ISYNORRVUXTERQ-JOCHJYFZSA-N 446.456 0.173 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(=O)OC)CC3)[C@H]2C1 1784795729 HMJLDLMGUSBYKW-RABCQHRBSA-N 434.533 0.984 30 20 ICED C=CCC(=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 1791278834 PAHNXXPFMCJSOC-DOWNOZBLSA-N 437.537 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CC(C)C)nn1C)C2 1792488615 LJEFLGZHQSIOOO-OIQBNGKOSA-N 443.548 0.680 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c2c1CCC2 1797048097 DWCWZHHQHUTVJQ-UHXXWTPBSA-N 445.520 0.641 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797911368 VXEHILIWKWBJJE-RMFSNUHRSA-N 446.548 0.859 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4sccn24)C3)c1 1798693823 VFOIOMQVEOKQPH-FVCICTRLSA-N 438.469 0.473 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)C1 1806003446 CGUXYWVMFPEEFW-SFHVURJKSA-N 439.578 0.682 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812341004 WOHCCLFAOFSBJW-MMOPVJDHSA-N 425.489 0.935 30 20 ICED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1814487985 MEVYNRPXNASGCU-LBPRGKRZSA-N 425.536 0.089 30 20 ICED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1815211631 OPAVKAIGHMXHAU-TZMCWYRMSA-N 429.414 0.718 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824503446 FASRNFDDTGQCFR-RHSMWYFYSA-N 443.508 0.637 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828964657 LWFANJLXVJRBHY-JNKZXAJXSA-N 448.564 0.115 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCN2C(=O)OCc1ccccc1 1829430317 ZUKVKIJLWUJKSF-RLIDHQHUSA-N 437.496 0.964 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nc2nccn12 1830061767 WKWSJBUGEORORY-NRFANRHFSA-N 426.477 0.658 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465551 KPKMPXITUVQFCV-OAQYLSRUSA-N 443.891 0.590 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1831387329 OPRTUIJQQPCXHT-XXBNENTESA-N 435.565 0.602 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1831387880 SFCAAOVVTLUWAU-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1831396167 ACIOYTBLIGCJCN-QRWLVFNGSA-N 440.447 0.695 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831427696 YIAYMTPNSCXGJU-VGOFRKELSA-N 428.489 0.995 30 20 ICED Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c(=O)[nH]c1C 1831485055 MOUIKGRNBSMQJS-JXFKEZNVSA-N 438.550 0.411 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831499610 XIQXBBRRFLZLST-OXQOHEQNSA-N 445.582 0.922 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1833470430 ZFWAKARVNSFTCT-UHFFFAOYSA-N 447.584 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cc3nc(C)no3)CC2)CC1 1834848901 HBMVFQNJBHQTHW-PLNGDYQASA-N 444.536 0.351 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4cncn4)CC3)CC2)cc1 1834869583 VVQXXMINNUWXIA-UHFFFAOYSA-N 435.532 0.964 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1834919122 VYYAPKUGHFDIFA-VLIAUNLRSA-N 445.463 0.625 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1ccccc1=O 1835100124 AXTWNTGBHHZBLU-NLFFAJNJSA-N 449.507 0.917 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835365968 ZZDZPJGVJVECGU-JOCHJYFZSA-N 428.489 0.485 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CC2)CC1 1835670275 XULFRLOUWOWTRZ-YRPNKDGESA-N 430.593 0.937 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1836298388 VFRCMFYSQDSLLX-NRFANRHFSA-N 443.891 0.888 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684785 KPFJYQHHAZHALE-OFNKIYASSA-N 442.516 0.257 30 20 ICED O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)O1 1836902165 PYCRQFZFJRPVSE-YPKZHZFPSA-N 432.477 0.806 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974198 PXODGHYTNRBHBZ-JTSKRJEESA-N 432.521 0.881 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1837310045 RYVKTNXUPJLKEW-LZJOCLMNSA-N 439.509 0.276 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1837489062 YOMQVYBDNDDEHA-NRFANRHFSA-N 433.530 0.912 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625751 JNBMHUPCMJKUKC-UZLBHIALSA-N 436.534 0.431 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1C 1838276283 RJPAUOQONRFQAZ-HRAATJIYSA-N 435.525 0.853 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c1 1838578885 RJYWSQMOJYXQEW-HSZRJFAPSA-N 442.516 0.733 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838737475 UKGFXISZDTWKLO-OAQYLSRUSA-N 435.444 0.313 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950624 VCKWTPRQDKZQGG-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1839223213 PLZSJJTZIVJAJE-KKSFZXQISA-N 441.525 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361516 PLEBSYHJXBVQTI-FDDCHVKYSA-N 425.485 0.861 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361767 CNNSAYJLMGWIKD-GCJKJVERSA-N 443.504 0.270 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCCO5)C4)C3)c2c1 1839489454 WWCPVSKVOUCAQE-PGRDOPGGSA-N 439.472 0.684 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652229 SUFNWPCGCGRDCI-IERDGZPVSA-N 449.508 0.372 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840168920 YMXOBLHAYMPINB-GOTSBHOMSA-N 441.484 0.981 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840199959 QKLWHKSQGIFAPE-JXFKEZNVSA-N 444.550 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1847240124 YWFKKDIKUQNBNJ-HVMFNXBNSA-N 449.548 0.844 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c(O)n1 1848127958 SZWXWNMRCVGFBV-JYJNAYRXSA-N 427.461 0.319 30 20 ICED COCCN1C[C@@H](C(=O)N=[S@@]2(=O)CCCN(C(=O)c3ccc(C#N)nc3)CC2)CC1=O 2088596050 ASEMVZWIENLQDT-AZYRPFHASA-N 447.517 0.289 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 19420020 XYDZNAQEFLBEGP-OAQYLSRUSA-N 444.444 0.167 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)COc1ccccc1Br 409509584 JXXMLBKSEOBRHS-CYBMUJFWSA-N 436.328 0.885 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 428240103 QRHFJEAJBZHGIW-UHFFFAOYSA-N 432.487 0.525 30 20 ICED N#Cc1ccc(=NCC(=O)NC[C@H](NC(=O)CN=c2ccc(C#N)c[nH]2)C2CCCC2)[nH]c1 444407709 FHGYHZSBAYTDAW-IBGZPJMESA-N 446.515 0.379 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)c(F)c1 448524758 KZXNTQIWZUPSHN-UHFFFAOYSA-N 432.481 0.902 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 468769392 BARBXMYOCKRGQL-CYBMUJFWSA-N 440.547 0.792 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 470810343 HZVVCRYRJAFHPE-QGZVFWFLSA-N 437.481 1.000 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H]1c1cnn(C)c1 470891892 ISKVWNLOKMAQQW-VQTJNVASSA-N 426.452 0.678 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCCOCC 478752363 DTNLVPKGFWCBNN-UHFFFAOYSA-N 429.546 0.919 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 481504841 CQLGTDHEFYXVKD-YJBOKZPZSA-N 434.518 0.465 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486621307 RZNMFQAWUDNXJS-SFHVURJKSA-N 437.485 0.828 30 20 ICED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 507553023 SQSXJNDFKVFNHV-UHFFFAOYSA-N 430.494 0.850 30 20 ICED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508881789 SYHUXHKSXJXZJF-UHFFFAOYSA-N 444.561 0.935 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 514184404 UDMKROAQXMPCKO-UHFFFAOYSA-N 445.461 0.167 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 514644905 FNJSLCOWZGWHRC-UHFFFAOYSA-N 441.509 0.475 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(CCC#N)CCN1CCOCC1 531357333 RZYFZFXDIUKYDN-UHFFFAOYSA-N 427.509 0.452 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 547306220 GVXBKGRESLCVLW-UHFFFAOYSA-N 435.400 1.489 30 20 ICED COC(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 568638937 BNNYAFORNJDESY-UHFFFAOYSA-N 446.414 0.952 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 570965365 KEVRPBJVLZIHDE-KRWDZBQOSA-N 441.467 0.311 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(C#N)CC1 572938391 YOKHHXITFWDNQF-UHFFFAOYSA-N 436.490 0.465 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1=O 578043361 ZYSRPBYUBWEHME-LPHOPBHVSA-N 439.516 0.491 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 581696961 KBOZKLUQTGTXFX-UHFFFAOYSA-N 443.529 0.444 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)C2=O)cc1 583886169 ZRXVSLLIAXXGCH-RBUKOAKNSA-N 428.489 0.477 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 584188967 DRPMFJZODISPTG-WBVHZDCISA-N 429.564 0.989 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2)nc1 609639691 KULSCPDAWBJPJO-UHFFFAOYSA-N 434.504 0.948 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 677497478 WFLREYURAGBTLC-XJKSGUPXSA-N 428.532 0.758 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CSCN3C(=O)C(C)(C)C)CC2)o1 730325715 SPSPKNQEGZRVNL-HNNXBMFYSA-N 449.533 0.994 30 20 ICED COc1cccc(C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n2nnnc2C)c1 732154140 OUDIYKQDZOMERC-OSCRUYLVSA-N 425.449 0.417 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cn1C 751656797 JKQXDZQTNWDZLT-ZDUSSCGKSA-N 437.503 0.679 30 20 ICED COC(=O)C[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752747555 MWKYMQVVLJSTMS-GDBMZVCRSA-N 437.518 0.930 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 755310416 SDPCJLLEYBZJQF-DOXHGZAWSA-N 435.481 0.145 30 20 ICED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)nc1 780647349 CTJHPYLNFAPMJS-UHFFFAOYSA-N 440.485 0.664 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C\c2ccc[nH]2)CC1 782333302 UAHNIQQJTZPILS-FPLPWBNLSA-N 428.470 0.976 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 783012790 IPGFHJHBIJNGNP-UHFFFAOYSA-N 425.536 0.184 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 783481177 OHOLSCUTPKBASR-SFHVURJKSA-N 435.546 0.995 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[C@H]1CCS(=O)(=O)C1 783481970 SHVUIXJQGNFDPL-HNNXBMFYSA-N 449.510 0.469 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 787854720 MABLRUZBABZZTA-OAQYLSRUSA-N 449.559 0.976 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1cc[nH]n1 790159950 XFQVKEXFIFOXGW-UHFFFAOYSA-N 428.449 0.176 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOCC)c2=O)cn1 794612150 FHEHDPVULSHKPU-INIZCTEOSA-N 428.514 0.742 30 20 ICED C[C@H](CC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 799002432 UAUCWZJWEKWUDB-MDEKPVRISA-N 449.558 0.569 30 20 ICED C#CCC[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 799204720 QDPVGPFNZHXUDT-HUUCEWRRSA-N 429.520 0.048 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C(C)(C)C 807535660 BHQQIVXSNRFTFX-IBGZPJMESA-N 427.549 0.999 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)N(CN1CCN(C3CC3)[C@H](C#N)C1)C2=O 812283703 NJOBFQNTGGHZAJ-IERDGZPVSA-N 432.525 0.938 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCCSC 814250052 GCPAXRDJDDAVGH-UHFFFAOYSA-N 427.502 0.374 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 831427589 VEZPNXDYRFVFFI-UHFFFAOYSA-N 429.506 0.773 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NC2CC2)c1 918278671 FSZZYBIRGXJRRU-ULJHMMPZSA-N 449.533 0.613 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c(=O)n1C 1189868947 KBKVTAGKKCPQEF-UHFFFAOYSA-N 434.250 0.245 30 20 ICED CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCOC1 1296536061 JQLXMITZMRTKMY-FQEVSTJZSA-N 448.549 0.987 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1297696910 RUTKLKHXMIGDNV-SFHVURJKSA-N 446.533 0.593 30 20 ICED CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1302970510 MCSAPHSKWXJJQW-QGZVFWFLSA-N 425.493 0.469 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1316360086 QFUYLQBVEZDZKZ-HNNXBMFYSA-N 431.478 0.007 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1504345879 YBACGDWGKKPAHY-YJBOKZPZSA-N 446.533 0.964 30 20 ICED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C 1615872261 LJEYLJYBHRUYFL-MRXNPFEDSA-N 447.565 0.808 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C#N)cn1CC 1672919035 ONSQBSLCPZEHFW-UHFFFAOYSA-N 426.499 0.512 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1681228474 ZTJHSDDNSUYSCU-HZPDHXFCSA-N 436.513 0.125 30 20 ICED COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1697802143 IWVCYXWVNUGLLR-RDTXWAMCSA-N 444.533 0.773 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1708079341 OKQZIOZUAGRMEV-WCXIOVBPSA-N 439.586 0.737 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1711917665 VPXORVAITHTJPF-APWZRJJASA-N 433.490 0.232 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CCO1 1750387468 UZEYLBPPSOXTHZ-GDBMZVCRSA-N 436.538 0.358 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1762303473 YEAHBFFPKYHDBA-ZBFHGGJFSA-N 438.554 0.750 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1778971571 QPNYDAJWJIDCDM-JTSKRJEESA-N 431.489 0.885 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062316 HWZPCEVINVWYCA-JOCHJYFZSA-N 430.505 0.571 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)NC1CC1 1779064785 HRCBQEOSCMRSJP-KSEXMQBYSA-N 429.517 0.350 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779100889 FSDPEFTWVNGYLM-XNWDXEOPSA-N 438.481 0.188 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781056066 YYVLOWFTTBDROM-OGCXYECLSA-N 445.564 0.689 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C#N)c1 1781173880 JCWNZDICRUMCLW-FQEVSTJZSA-N 431.518 0.566 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781265459 NYUXUFVEJPLONW-QFIPXVFZSA-N 446.504 0.474 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782955084 WMVBVXPWCFAKGR-UGKGYDQZSA-N 445.541 0.898 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1F)CCO2 1783566781 HYVJDEVSLNORGQ-IBGZPJMESA-N 426.347 0.959 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c1 1783912466 PVKKJNMYGNBAEP-MUGJNUQGSA-N 441.532 0.063 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1784531443 HFXIMJVNPLLILP-NBOOPKSLSA-N 447.623 0.346 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)C1 1785329085 ZPSCVVIGSLVHPD-IPQUUHLSSA-N 442.516 0.939 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378152 YVRNYLFDIQFGSQ-XBKFQHLESA-N 438.484 0.625 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21 1786860239 RWCQEILUXZJYMD-BURNTYAHSA-N 442.560 0.852 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1788755196 FEHRNDTWPMODAI-CJCBUOBESA-N 428.464 0.981 30 20 ICED Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788970713 JOYIZRCTZKBPIB-PBSGZKCJSA-N 431.493 0.907 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789768199 OOORZRKBZUHJGR-HLXURNFRSA-N 433.549 0.958 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)ccc1F 1789906235 FQNIZHWGHMBROK-JMVFIXPQSA-N 442.491 0.746 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618096 OAHRMLZFEJRCME-UZSDIVCKSA-N 440.544 0.401 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)cc1 1793009448 LKAPKTCJDIFWLF-LJCCNALRSA-N 448.545 0.555 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1795083795 SAQOZAFWBDLNIG-OPVJXMOQSA-N 426.473 0.758 30 20 ICED COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598838 AYHDQFOUQDEOLM-ALXJQNPVSA-N 429.521 0.884 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796426107 JGPVJFVITBFWGO-UFRBAHOGSA-N 441.513 0.564 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796720091 RGXHPPVHFREPPE-YXPYIKCWSA-N 448.476 0.775 30 20 ICED CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cn1 1797780770 LMJIFMBRCUKNEV-UPHUGPLXSA-N 442.516 0.777 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1797784063 IEFXJLGXQWSWKI-HGKCTWBKSA-N 441.484 0.712 30 20 ICED Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c(O)n1 1798654268 ZAIKEGQBQCEGNJ-XEMDLRDOSA-N 427.501 0.997 30 20 ICED Cc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883088 KHEXVUODZBHCLY-CCWDJLKJSA-N 433.472 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn12 1800079826 BPCAFGDXFGUKGU-BEWPNNSKSA-N 437.500 0.704 30 20 ICED C#CC(=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 1800732178 PXROZGNZGJFFEF-FJANGAQTSA-N 433.505 0.234 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802114261 LWAMPTJGTRGGOK-XIKSMUEASA-N 443.544 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C 1802125098 QGZMIXKWBBAHLQ-QTMHVTGLSA-N 447.532 0.531 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807115800 KZVQWHSXFUQKSS-LNLFQRSKSA-N 428.537 0.500 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1 1809776948 VGUBRJPKECNDTO-UHFFFAOYSA-N 426.583 0.934 30 20 ICED COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)cn1 1817541435 KBPAKZSWTGIRJV-NSHDSACASA-N 428.426 0.639 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819454544 OVMCIJQJPAFFJQ-DIFHSRHFSA-N 431.453 0.807 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819781105 NPYRKQOBMZBBLB-PUFAJPFRSA-N 444.517 0.452 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)no1 1828987030 CAHGYLBAHMMBCW-QGZVFWFLSA-N 430.461 0.421 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829627837 JCYGCIWPLZKFFF-QFIPXVFZSA-N 431.489 0.566 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn1 1829900297 ALRKMKIYWVSCLE-HSZRJFAPSA-N 435.484 0.969 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830211687 NGSFNMQGRPEKHJ-GGAORHGYSA-N 428.485 0.598 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830219364 CVDZVZVPBWQEHO-FYYLOGMGSA-N 430.501 0.989 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830646120 RXLZPQMRDUTKER-JOCHJYFZSA-N 431.489 0.136 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1831393205 UXLUCHGNBLVTHN-OPAMFIHVSA-N 430.457 0.524 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831771176 XRHKFMBEKBLASG-NRFANRHFSA-N 425.445 0.430 30 20 ICED Cc1ccc(C)c(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1832443132 NYZVOXXKKFLGDH-QFIPXVFZSA-N 430.457 0.227 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833737124 IZFYAESTUOTLHD-YCRPNKLZSA-N 438.500 0.754 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)noc1C)CCO2 1834068735 KKBXNHMHFRPPRX-OAQYLSRUSA-N 435.477 0.871 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1834705934 NYWINFHWQTZPJO-GOSISDBHSA-N 435.569 0.433 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834775073 OCYMYJQNMNVVPV-NDEDVSTASA-N 441.484 0.942 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192594 OQJCOSSXZGWZRN-GAMXZPBPSA-N 439.509 0.398 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836864454 GLUKNMVFEGSORX-HNNXBMFYSA-N 447.469 0.301 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1836868423 SXMLTJLYPLPYQT-YJBOKZPZSA-N 441.525 0.641 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837399438 UBONSIYADZYSBK-JTSKRJEESA-N 448.520 0.309 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837559820 AEAVCJZTHPYJKF-JMQQFMRHSA-N 431.445 0.482 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837670996 YLZYCMUKKGBIJQ-LZJOCLMNSA-N 425.526 0.339 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1837681251 VDFVKDNELUVQCQ-NJNPRVFISA-N 433.505 0.457 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838405487 JGAXYLKQMPXRMP-FNNTWHHHSA-N 441.525 0.523 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047518 SOFCIBBRPAATJB-FPOVZHCZSA-N 447.561 0.683 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)CCC1 1839050006 JGTJBEFVEFTARZ-QFIPXVFZSA-N 438.488 0.422 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532705 UYYACMQHQIQMPU-ZZAWEDPDSA-N 444.536 0.371 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2C1 1839620517 HPPGHSPXSXZRMB-QHCPKHFHSA-N 441.532 0.202 30 20 ICED CSc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1O 1840043277 OQXJQYAJCWYUKI-HXUWFJFHSA-N 434.470 0.272 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1840160554 LFSVBQDERYLCKG-LHSJRXKWSA-N 448.545 0.265 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842954071 SGPPXMAYAOYBOX-LSDHHAIUSA-N 436.509 0.169 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303129 JQTQPIXDODNRII-OLYXRRBISA-N 446.508 0.189 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@@H](N)C(N)=O 1847939208 CQOXGSJGBGMLBX-WCVJEAGWSA-N 437.541 0.250 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 16163035 YYDOEJOEODFESA-NSHDSACASA-N 430.446 0.008 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 438734000 QJXWFNQPEPLVIV-UHFFFAOYSA-N 430.494 0.947 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@H]1CCOC1 441918690 AQGZUORILHXMOE-MRXNPFEDSA-N 445.516 0.660 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 442071102 JATDXAZDZFZAAM-OAHLLOKOSA-N 432.477 0.618 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 465421373 KQNLTISDGWBRBH-GOSISDBHSA-N 445.483 1.540 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)n1 471393607 VYCQABCDFOZNOR-MOPGFXCFSA-N 431.562 0.809 30 20 ICED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 475266462 PHKLCRWVZUFYKN-UHFFFAOYSA-N 425.493 0.835 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)cn1C 489703145 IGYOYRLYDKDRAS-UHFFFAOYSA-N 427.483 0.435 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)N3CCc4ccccc43)n2)cc1 492908740 AUGDTAVWZFLSHA-UHFFFAOYSA-N 429.440 0.842 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 501533600 RWAQMTMLZVXERV-LBPRGKRZSA-N 444.535 0.241 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508862772 GABGWULEXHKNGA-UHFFFAOYSA-N 433.476 0.932 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513599193 FXRWIMSDWSKVCH-MCMMXHMISA-N 436.472 0.715 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)c(F)c1 518301258 WJEXFXSUWULFSV-RBUKOAKNSA-N 443.523 0.963 30 20 ICED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519791926 JLVQNNOVZXAZQD-QZTJIDSGSA-N 433.578 0.854 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)C1=O 523140792 JIBZHPIOOAOMDC-UHFFFAOYSA-N 434.474 0.193 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2)c1N 531605667 FGYOMNALWWABNF-IBGZPJMESA-N 445.483 0.659 30 20 ICED CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540341070 WQIREESGBGIXSU-IBGZPJMESA-N 435.569 0.412 30 20 ICED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550935515 SDAJLKGXCANRMI-UHFFFAOYSA-N 436.310 0.882 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 562043178 RNPIOQDVQVVFDI-UXHICEINSA-N 425.533 0.966 30 20 ICED CN(C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1)S(C)(=O)=O 565496866 HMJNLKKZOAFCLT-HNNXBMFYSA-N 442.563 0.622 30 20 ICED COCCOC1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 571596504 VXJULDIVBVNDJD-IBGZPJMESA-N 428.489 0.824 30 20 ICED C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 592070290 JKWIJUMBOZSZEB-UHFFFAOYSA-N 434.562 0.920 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 603796082 LKLSCWQFJVBJRU-UHFFFAOYSA-N 446.598 0.579 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 680339383 FSZMRCMTYKLDPB-BGYRXZFFSA-N 442.560 0.519 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1=O 726042083 DOYWENFGIPBSKO-KGLIPLIRSA-N 445.428 0.193 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O 729673619 XVROWPGVSZRQMA-UHFFFAOYSA-N 447.582 0.682 30 20 ICED C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 731109694 XCRJUUIBAZWOJJ-UHFFFAOYSA-N 432.458 0.929 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN([C@@H](C#N)C(C)C)CC3)C2=O)cc1 731846577 JREACBJVUMJUQN-AVRDEDQJSA-N 442.520 0.659 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 747495865 WVQOZUZRFYHGCI-UHFFFAOYSA-N 426.451 0.823 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 749624424 CQNXBLORKZRIPB-UHFFFAOYSA-N 425.449 0.874 30 20 ICED C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1OC 753678736 PEZITYWGNMQPGZ-FNORWQNLSA-N 433.490 0.924 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccn1 755548452 QRNYQTAULRAJMR-DOMZBBRYSA-N 430.465 0.597 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)CC1 760277592 OWDSHTAXMRZJRW-DEOSSOPVSA-N 440.544 0.346 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O 767672907 AKKAZLNYTCDWPP-CXAGYDPISA-N 431.474 0.697 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)CCNC(=O)OC(C)(C)C)CC2)o1 767931724 SPSBOVMXKVXXKG-UHFFFAOYSA-N 436.513 0.322 30 20 ICED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 770866024 OEBCVPJNBCHIKT-ZFWWWQNUSA-N 442.453 0.949 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCCO3)c2=O)cn1 772329990 MVHHDJFZPFEBGI-MRXNPFEDSA-N 443.529 0.042 30 20 ICED C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 779153626 IURYYLAMIFIZQE-OAHLLOKOSA-N 446.978 0.987 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1I)[C@H]1CCS(=O)(=O)C1 783480363 QBOKNSFETNFCQE-NSHDSACASA-N 446.266 0.879 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 786562468 XTRRPRMNFQKVIJ-CFVMTHIKSA-N 439.440 0.325 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2)c1=O 794628532 NJIXBMYAZRLONR-INIZCTEOSA-N 446.550 0.453 30 20 ICED N#C[C@@H](C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 797022009 ADNAJUIFCDSALC-HNNXBMFYSA-N 446.934 0.860 30 20 ICED C=CCn1c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nnc1C(C)(C)C 800781362 GDELNQHHPRQTOQ-CQSZACIVSA-N 431.584 0.401 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804010021 GDXPQHTZOJOHIH-NVXWUHKLSA-N 427.461 0.517 30 20 ICED Cc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 807398981 GQAJUVRQRWSQDY-NIAFYLGNSA-N 433.494 0.742 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)[C@H]1CCCO1 809305772 JJHBRGSDMKQKII-UYAOXDASSA-N 428.533 0.573 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CCCO1 809309821 HJBPGEKAZUCQJK-RYQLBKOJSA-N 437.493 0.392 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250746 YKLLIFQCGLUKHI-UHFFFAOYSA-N 431.468 0.566 30 20 ICED COC(=O)CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 921135013 NOHIKONTZWYSMV-JWGURIENSA-N 438.506 0.897 30 20 ICED Cn1cc(C2=NO[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cn1 1290637300 OKWKMWFRSWJYHJ-SFHVURJKSA-N 428.474 0.318 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC(=O)N2CCOCC2)cc1 1316532065 ZNKNSCJLBGFRRM-UHFFFAOYSA-N 437.504 0.767 30 20 ICED COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1504379740 RLHDNOOQTABUMR-OALUTQOASA-N 435.481 0.945 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 1541945769 LIGHAHWUKLTSGS-LSDHHAIUSA-N 426.543 0.702 30 20 ICED CCN(CCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 1547572765 OJEIMQWJTHSYBH-UHFFFAOYSA-N 432.554 0.851 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 1547859597 KRKAMTDHANVDFE-ZTFGCOKTSA-N 427.527 0.076 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1612819451 YEJXBSMSZSJDCG-BBWFWOEESA-N 439.586 0.834 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1705747354 LBEZZJCUSVWLDK-LLVKDONJSA-N 427.918 0.297 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)COC1 1747977552 CYCUPTUQIRVACY-UHFFFAOYSA-N 434.522 0.751 30 20 ICED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1766757987 AFPDMEZWHBRIOS-NMEJYPJZSA-N 446.533 0.449 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098957 NAKLWIFGQIIBOW-VDCVEMJXSA-N 434.493 0.204 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100070 RZEFBKQQGCDMJS-DDQAZAJHSA-N 438.525 0.652 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)c1 1780334827 LWYNJRWYCSLOCY-FQEVSTJZSA-N 438.469 0.713 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780692338 RYPLUHLOGNGCMU-YWZLYKJASA-N 434.518 0.330 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)CC2)CC1 1781107941 JUARZKSIVKVFIW-NRFANRHFSA-N 426.521 0.110 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccnn2)C1 1781549019 NMUJSQNGDGKWPS-CBGDNZLLSA-N 433.509 0.862 30 20 ICED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781795330 AQZTYXHPUWHFFI-YCOPDDRQSA-N 438.525 0.556 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813975 OFWHODFCKCHBNN-XZEIMLRBSA-N 432.477 0.719 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636951 YBJGPURISWYEGF-NRFANRHFSA-N 432.477 0.454 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783051758 NAZGAPCUNNHNJM-USCONSEESA-N 435.521 0.458 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(c4ccccc4)=NO3)[C@H]2C1 1784405917 PKKRPXZOOBXLAR-CAMMJAKZSA-N 425.441 0.247 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1785082360 NMLJUTNCTUVDBD-WAIKUNEKSA-N 436.468 0.682 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785223807 TZWLGUPLINPXGL-XMMPIXPASA-N 433.464 0.973 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376761 VRTWJPITMSXGBW-HRAATJIYSA-N 449.529 0.448 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1785572776 RIAKHMCLWREZCZ-OPAMFIHVSA-N 435.521 0.769 30 20 ICED Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nc1C 1785574058 MTHURPQXJACAAA-GYUYVIAWSA-N 444.536 0.864 30 20 ICED Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857790 DTWNHBXJNNLPRT-KKUMJFAQSA-N 434.566 0.909 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858376 ZHMZMKMTLFRZQV-BZSNNMDCSA-N 435.569 0.410 30 20 ICED Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cn1 1788601961 YKGVJPQEYXCBIJ-UFHGKRAESA-N 430.553 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cc(C)on3)[C@H]2C1 1788671846 RMELXZOHNUTOSC-BIXWYCAHSA-N 428.489 0.834 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789855230 TXOKEIJDDNJNLX-BZSNNMDCSA-N 437.537 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1789890509 YHXJPMHRQVGRLC-XIRDDKMYSA-N 449.464 0.280 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792695450 TYODTEXHJCSBHJ-RMRDIRSESA-N 436.530 0.884 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829980 YMDPOSNSSILVHB-RMFSNUHRSA-N 433.530 0.515 30 20 ICED C=CCO[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 1792884713 WHIUCZYXCBEGSS-SIRPWMCASA-N 441.525 0.053 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1795599527 QFTFXFMEYOMKMG-SCAQPMJSSA-N 431.541 0.518 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140740 XSKHCCSGIGUQBQ-VPTLXERWSA-N 438.440 0.647 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796444217 FUBMEECOKJNHFW-ANWFWMTQSA-N 433.530 0.991 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797249092 PYWFRSSWOQVQDB-XIKSMUEASA-N 433.574 0.795 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797643630 RSVZQQXATWIFSK-NAIAOIPJSA-N 443.500 0.884 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797728878 KPYXKUTXYZLRAL-CLWJZODNSA-N 436.629 0.220 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1797743563 BTEFVAKYEODFRN-FYGUATGLSA-N 432.496 0.993 30 20 ICED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810470 SWNIQMLQGISMHF-FJEYYMGFSA-N 438.525 0.411 30 20 ICED CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)nn1 1798752988 OSZVEHXQGHLCLG-JLVBRIDZSA-N 430.509 0.360 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1799303968 FPFHEMBDELRLOH-XOIINTDNSA-N 431.445 0.523 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800954368 DFTUCKWKYLEISB-VCLLZTRKSA-N 446.548 0.803 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994572 SDRYZHJHEJDJLR-CWPLJXCYSA-N 445.545 0.011 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804094867 VRHPTDZIGLTTAT-RXVVDRJESA-N 446.467 0.825 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)CC1 1809667268 YPXQPLJKHVGNPE-FPOVZHCZSA-N 440.548 0.801 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1811517581 VJXDXPUMLQDHQT-DKSSEZFCSA-N 446.460 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 1814518323 SOSSXRKAXOCMRJ-SVUXDUJVSA-N 428.493 0.786 30 20 ICED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1)n1cnnn1 1819907905 ULTCNYWGVPCGOJ-IFISONFRSA-N 448.509 0.832 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829859253 CFTRFYHYECIVKK-UGKGYDQZSA-N 428.489 0.543 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1829899176 VHJBHKHFHPOJIX-HSZRJFAPSA-N 435.484 0.590 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830064756 PERHSNFYKCVAOM-JKSBSHDWSA-N 435.521 0.972 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c(O)n1 1830593793 NILXRLGQJCHFNM-QHCPKHFHSA-N 443.500 0.955 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1)C(F)(F)F 1830955885 QQEKRDGYPOWCHH-SFHVURJKSA-N 430.427 0.846 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1831425322 CBGPSBLEJJKLOP-SVMVAKDDSA-N 432.521 0.930 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833191873 YUJJOCOZCJIEIL-DENIHFKCSA-N 434.537 0.958 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1833837423 ASZSYWLRNVTTIW-JOCHJYFZSA-N 438.488 0.390 30 20 ICED O=C(Cn1ccnc1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834266933 FRTMLGCAOWMPJW-NMWDDECMSA-N 446.552 0.984 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835674987 IEZXQVLAVRBSSO-HSZRJFAPSA-N 449.596 0.457 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1835683096 NBKWNLCTZRKXMY-IBGZPJMESA-N 448.564 0.869 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234015 IQPFVCZGWZWTOX-QVKFZJNVSA-N 437.468 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCN(C)C3)CC2)CC1 1836349312 OKTVYLQHFSZOKZ-LIXSYLKWSA-N 445.608 0.758 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836937306 ZVXDUEXLUHZOIR-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837398911 KWDPSENHGJJZHI-VGOFRKELSA-N 443.504 0.372 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1837402589 IJFWJHVHUHLBSW-FTRWYGJKSA-N 430.567 0.130 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837445116 DRQNWMCVRJOPOH-YGPNGPECSA-N 447.536 0.703 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491734 WSSHINQSUCFRLI-QFIPXVFZSA-N 430.505 0.487 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564504 SJBNBQHHCRFKIY-DSUDGFIPSA-N 442.472 0.867 30 20 ICED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1837812607 JOVYOFBUUZCKAL-QTCOBDOFSA-N 438.525 0.602 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1839453133 PPKWCYZDVMXFSG-JOCHJYFZSA-N 440.456 0.731 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623628 QAORYKBJVSCDTP-FQEVSTJZSA-N 449.508 0.858 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(Cc3ccccc3)C(=O)OC)C2)C1 1839810753 PNHUMNLZPYHEKB-QFIPXVFZSA-N 429.473 0.345 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C(F)(F)F 1839892280 DRZALUFPQZDQPY-GOSISDBHSA-N 432.443 0.843 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457331 QPWADWBNQXLELX-QFIPXVFZSA-N 444.536 0.147 30 20 ICED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C5(C#N)CCC5)CCO4)C3)(C1)C2 1840815894 LGIUNLYBKHERDD-LZBANZJXSA-N 431.489 0.480 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2 1840946558 JIOKCOURDGAKCT-QYWGDWMGSA-N 439.484 0.424 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(O)nn1)C2 1847071214 LNLOFYMLSGNOSB-AWEZNQCLSA-N 429.477 0.916 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847802185 OHXKWKGRKSVASX-COXVUDFISA-N 434.456 0.425 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@@](=O)CC[C@@H]2C)cc1 433551672 VYPSLBUOSYENLV-PWFNWSNSSA-N 427.548 0.801 30 20 ICED N#Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)ccc1OC(F)(F)F 443278222 DHCJAWRTNLRVKF-UHFFFAOYSA-N 440.338 0.339 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 460609994 XXERNVLACPRQHF-QGZVFWFLSA-N 425.493 0.859 30 20 ICED N#Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)cc1 461729709 QVJFCGDMWBOIQX-HNNXBMFYSA-N 440.481 0.848 30 20 ICED Cc1nn(C)c(N2CCN(Cc3ccccc3S(=O)(=O)N3CCOCC3)CC2)c1C#N 471817550 VCQPJHZECDBWOS-UHFFFAOYSA-N 444.561 0.943 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1 477152403 QVSFRARPOMBNRB-RCDICMHDSA-N 442.439 0.781 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 479875229 VMIOPFJHWCZSOH-QGZVFWFLSA-N 447.561 0.382 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)cn1CCOC 481346316 JZUOKPIPLGOTSC-CABCVRRESA-N 435.481 0.940 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)s2)c1=O 482549991 ILBOXFYVLDWKNA-ZDUSSCGKSA-N 426.523 0.827 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 484389197 AEGXUZQLRLEIQQ-MRXNPFEDSA-N 434.518 0.655 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCN2CCOCC2)c1=O 489033125 ALGWKQKMYASMHC-MRXNPFEDSA-N 443.525 0.252 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(O)nc4)CC3)CC2)o1 498968880 PMAMVBMZSBUYBX-UHFFFAOYSA-N 439.476 0.062 30 20 ICED C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 499999810 WCJRWWODRZDUTE-RHSMWYFYSA-N 438.550 0.991 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500842591 SNSAUAKLVBBTFM-INIZCTEOSA-N 436.534 0.861 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1C 504453284 LKSHZINQDFIMCC-UHFFFAOYSA-N 427.440 0.236 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1C#N 505426938 CIVVHWYHLDSZHA-UHFFFAOYSA-N 439.501 0.973 30 20 ICED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 506581648 QYIITSYBNAFZMP-ZDUSSCGKSA-N 426.470 0.793 30 20 ICED COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508355459 BHBYSKSRJQZQDE-UHFFFAOYSA-N 426.355 0.949 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 532266033 XOJOXWDFXDNSDI-UHFFFAOYSA-N 438.431 0.232 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 546210838 XEOUNWBBSCLFJZ-AWEZNQCLSA-N 432.462 0.344 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCCN3CC(F)F)CC2)cc1 547459790 GABWNYMNRLIZPW-INIZCTEOSA-N 428.461 0.357 30 20 ICED Cn1cc(-c2nc([C@H]3COCCN3CCS(=O)(=O)c3ccc(C#N)cn3)no2)cn1 554737708 JFGRFZUTOHQWIE-OAHLLOKOSA-N 429.462 0.584 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)n1 560986512 LLYHPXZKKNZBNQ-INIZCTEOSA-N 429.550 1.441 30 20 ICED 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C#CCn1ccc(CN(CCOC)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 788814073 ULYSITZDIMDIHH-UHFFFAOYSA-N 449.489 0.720 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790427417 CWHJYFGXEDOZCS-LBPRGKRZSA-N 429.527 0.348 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c(F)c1 802559490 RTTLIUSSFWUIMN-AWEZNQCLSA-N 436.459 0.570 30 20 ICED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 807584468 AEWJIHRALURBKO-IBGZPJMESA-N 432.484 0.832 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812275216 GNDNSMOEYMKMIK-UHFFFAOYSA-N 439.488 0.647 30 20 ICED COc1ccc(NC(=O)COC(=O)CCCC#N)cc1S(=O)(=O)N1CCOCC1 812616128 XECNGRYABMJQPV-UHFFFAOYSA-N 425.463 0.892 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CCOC)CC1 916199954 PFDTZFJQRIVZGD-UHFFFAOYSA-N 444.532 0.362 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c1 920249891 YQIWGQJIFQPEPC-INIZCTEOSA-N 428.532 0.264 30 20 ICED 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CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1830058300 URWVFSWDAJPPLB-JOCHJYFZSA-N 442.472 0.637 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(C(F)(F)F)n1 1831215885 AHGAWMQGOSGRJO-IBGZPJMESA-N 440.422 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831394076 VQBIDEDGHAQFTN-YCRPNKLZSA-N 427.461 0.066 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831483834 OZYVVTXQOPLRME-WMZOPIPTSA-N 434.580 0.303 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831487296 MUMWJEIHYLLZHV-AEFFLSMTSA-N 430.958 0.947 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831902903 LOUHOTUOODGKSA-HLQTZPMBSA-N 433.484 0.762 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccnn3)CC2)CC1 1833077153 RHMYJSQTNUIBPP-VGOKWCNXSA-N 443.552 0.269 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1833463486 MTPXFTSOUCBLCG-INIZCTEOSA-N 441.532 0.404 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833469557 FYXVBZVJCGUHRH-IBGZPJMESA-N 437.585 0.134 30 20 ICED CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833486373 FQVRDTKLKPFSSP-UHFFFAOYSA-N 428.537 0.986 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833824337 JRCWGPFLULUDNB-UTKZUKDTSA-N 434.493 0.255 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1835426933 NRIVUARFTHCQRC-OAQYLSRUSA-N 433.892 0.236 30 20 ICED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1835701638 LXSLRRKZWIITTL-DSMHQBTASA-N 441.488 0.250 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837401986 BLJIQHSPKLZZCX-ICPLQIHGSA-N 446.548 0.544 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)/C=N/N2CCCCC2)CCO3)no1 1837443979 OCUPZJIPCONGKD-PQANMTQSSA-N 445.520 0.924 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1CSCSC1 1837570185 GJVGBXWLLQXYOF-HNAYVOBHSA-N 440.591 0.790 30 20 ICED O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)N1 1837782027 WBMZSPOEHCWPLO-KMYAOZERSA-N 433.553 0.735 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837861716 IUHVLWRZZZFJBV-INIZCTEOSA-N 436.557 0.626 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnn2)CCO3)ccc1F 1837876501 YTRPSVHRVORHKP-QFIPXVFZSA-N 439.447 0.800 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838215835 PKHHHYVCYRRXKM-IQTGRTGDSA-N 427.461 0.567 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1 1838245137 UFWJITSQOXVSTM-UHFFFAOYSA-N 425.445 0.430 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)c2n1 1838486484 HZUVPMWKDLOEEI-JOCHJYFZSA-N 439.472 0.945 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)c1 1838584115 QPWXZBYFPLDTNP-SIKLNZKXSA-N 429.473 0.816 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C(F)F)n3)CCO2)C1 1838704062 VYOZXGGJZXDZLL-FOIQADDNSA-N 440.447 0.695 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5O4)C3)C2)c1 1838737099 HOSGKXBTKFWVNL-REWPJTCUSA-N 436.468 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839175982 OUQSIWQZMZFOPU-JOCHJYFZSA-N 446.504 0.375 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839188252 UENGNDKXYOFPTH-OAQYLSRUSA-N 448.451 0.052 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363281 BDNHYFQDTBCJDY-QFIPXVFZSA-N 428.489 0.349 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448279 ZBTORHDDAIFJES-XMSQKQJNSA-N 434.489 0.741 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839888486 QGWNLOSRTRTGNI-LJQANCHMSA-N 440.447 0.668 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840842840 DOSBLBMEUJZOMX-SFHVURJKSA-N 428.411 0.922 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841298479 PDPJLBJEMZCNGS-CABCVRRESA-N 425.526 0.649 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847328135 NEINTKIUDRYAGB-QAETUUGQSA-N 432.521 0.631 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 29165881 PUXJTLFOQGDZGD-UHFFFAOYSA-N 449.265 0.385 30 20 ICED CN(C)C(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 29926391 SHGULCQGMDMXFH-UHFFFAOYSA-N 441.492 0.754 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32717229 ZOEBGCFZQHBJKE-QGZVFWFLSA-N 443.529 0.989 30 20 ICED COC(=O)CN(Cc1cccc(Br)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 410401006 UOLHVJCIRNIRTK-CQSZACIVSA-N 432.296 0.893 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)[C@@H](C)C#N 436726037 SAPFXVZODGDCIN-YJBOKZPZSA-N 436.534 0.832 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 437043658 GDVSXVIIIFKCBP-DYVFJYSZSA-N 425.507 0.981 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 437069902 RTYHDERFLMQEOG-MOPGFXCFSA-N 436.516 1.560 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 468770313 ARQARJVKQKJURV-HNNXBMFYSA-N 436.534 0.961 30 20 ICED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)CNC(=O)c2ccc(C#N)cc2)c1 474502475 VDZDXHHZWKVLIN-UHFFFAOYSA-N 435.444 0.940 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 480611387 KMKVCVCMRKIJCX-INIZCTEOSA-N 434.971 0.791 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2=O)cc1 505171455 PLNMJRGTBOJGBN-GOSISDBHSA-N 435.440 0.673 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 505812104 LRAAATBDYJEIAA-IBGZPJMESA-N 448.483 0.957 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cc(Br)c(O)nc3=O)C2=O)cc1 508115976 AWPRPPZCAURUCE-AWEZNQCLSA-N 446.261 0.895 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCN(C)CC1 516375658 ICAPVRXPORORPB-UHFFFAOYSA-N 428.562 0.329 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 532666824 WGIYLNCKPYAJMF-UHFFFAOYSA-N 431.474 0.585 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccnc(N4CCN(C(C)=O)CC4)c3)no2)C1=O 546328712 ANUGFVGHWPYZIP-UHFFFAOYSA-N 439.432 0.277 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cc(OC)ccc1OC 556783502 QYSPHLHHVRJMIJ-UHFFFAOYSA-N 439.497 0.207 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 603747761 ZMMWXYIFELOXSH-IBGZPJMESA-N 449.577 0.931 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1F 608911006 CKHUVTFGYBGQAZ-UHFFFAOYSA-N 444.488 0.105 30 20 ICED C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CCS(=O)(=O)C1 729629215 TVVXWMCUEYWFMK-QMMMGPOBSA-N 443.366 0.973 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(N)(=O)=O)c(C)c3)CC2)o1 730895198 ZCGUYSHRNSKDQY-UHFFFAOYSA-N 447.473 0.316 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 733886552 PFBYMZMGOANONV-VXPUYCOJSA-N 432.502 0.577 30 20 ICED CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737295118 RVUJBOBWFDABGY-CJLVFECKSA-N 438.506 0.897 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(c2ccccc2F)CC1 741344247 WPAHIYILILSUJX-QZQOTICOSA-N 430.436 0.934 30 20 ICED C[C@H](CC(=O)NCCCN1CCC[C@H](C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742618168 GULDDURMTCIIKI-CABCVRRESA-N 435.550 0.207 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)ccc2c1=O 744624169 FQRRQENBYIHXBQ-MPBGBICISA-N 427.486 0.979 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCSCC1 745506457 OIOOEGLMFRIZLP-UHFFFAOYSA-N 433.533 0.654 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 746240080 URUJNKZQSIZJMP-LSDHQDQOSA-N 443.479 0.616 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 747991201 FGBYQCACJCYUEH-SFHVURJKSA-N 426.473 0.731 30 20 ICED COC(=O)[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 751638003 CHVFUTNMHUSNCS-INIZCTEOSA-N 425.401 0.153 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754619781 ZDWZKAXEHICPAA-OAHLLOKOSA-N 429.433 0.091 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(Cl)c2)c1=O 755689481 QUBUTGCZHBDJMM-UHFFFAOYSA-N 426.882 0.278 30 20 ICED CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757151821 UKBKDUSFOIQXAZ-CQSZACIVSA-N 430.490 0.881 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758058223 KAMWOPGPLJVEQB-UHFFFAOYSA-N 441.896 0.773 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 761032704 LSNQRGIYCBOLDL-UHFFFAOYSA-N 442.925 0.525 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 763459165 WPXVKFBMSFRAGL-UHFFFAOYSA-N 436.493 0.994 30 20 ICED COC(=O)c1cc(C(=O)OC)n(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 765668105 BHLNNFBFACYJFO-UHFFFAOYSA-N 447.473 0.292 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[S@](C)=O 766644801 OYJMWXOGMISHPR-OPZXXQSVSA-N 442.563 0.711 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 780813834 LRWHFBGMXIJSRF-MRXNPFEDSA-N 429.477 0.811 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1 783351257 WTHWHZXYWYYDAJ-UHFFFAOYSA-N 446.485 0.998 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 783462652 SVZQOIRZSQHBJU-MRXNPFEDSA-N 432.436 0.567 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 785285753 NIGBDVORZCHDTA-XJNFMUPTSA-N 432.404 0.728 30 20 ICED Cc1oc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c(C#N)c1C 786997529 NOPITMPVSYOXEA-QGZVFWFLSA-N 432.477 0.963 30 20 ICED C#CCn1ccc(CN(CC)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 788821322 UMBPCIRNVAAYDW-UHFFFAOYSA-N 434.478 0.923 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 800764733 VKDAZOCGLLWPHF-UHFFFAOYSA-N 432.414 0.951 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 805023165 CCQIFKJQOWOIPP-UHFFFAOYSA-N 441.576 0.986 30 20 ICED CC#CCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 810778853 PJFHFQCJFYJIMG-UHFFFAOYSA-N 440.547 0.708 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C(=O)NC)c2ccccc2)cc1 919048630 QDIKHCZCUOPPAZ-LJQANCHMSA-N 443.481 0.358 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1171533042 OMZKASGEPSGXFW-QFIPXVFZSA-N 446.573 0.749 30 20 ICED C=CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1318326973 LOJAQBMGLZFTGM-SFHVURJKSA-N 443.591 0.535 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCNS(C)(=O)=O 1319965173 CRXXDCUVWULLJF-AWEZNQCLSA-N 431.536 0.622 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)CC2)c1C#N 1320990020 WNJCQSOHEPPCDR-UHFFFAOYSA-N 449.401 0.589 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1353656874 BAXVVEALENCMMJ-WMLDXEAASA-N 430.486 0.906 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccsc2C#N)CC1 1453390409 QLSHOVDNFGRQDD-ZDUSSCGKSA-N 436.563 0.986 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1541112549 ILEUTBHHYFBYAU-CYBMUJFWSA-N 429.506 0.832 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1694739405 PSXMMKDWABHAQX-CABCVRRESA-N 430.538 0.652 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1697023156 NBYOOVREUUDWHE-UHFFFAOYSA-N 445.549 0.671 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)NCC(F)F)cc1 1712881270 YZWIQZJIKUKQSH-UHFFFAOYSA-N 447.446 0.812 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1729067419 WYFNTFGTKMDION-UHFFFAOYSA-N 440.508 0.267 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1769244351 SSVDJGIOFFHVCG-WBVHZDCISA-N 444.517 0.203 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2)C1 1770351390 SRLQGTYWZBFVAI-SJORKVTESA-N 432.506 0.388 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474979 HLJWDYJFBMUVIJ-DKQKECBASA-N 442.476 0.702 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1778781663 OJBAMZXKWODVDN-WIYYLYMNSA-N 449.891 0.586 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#Cc2ccccc2)C3)CC1 1778847417 BOKFPVTUIXXRIQ-RCZVLFRGSA-N 438.572 0.799 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1779100931 HJZNYGSDNFASFN-XXVAPRDTSA-N 433.465 0.585 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)c1 1779210020 VXGLEVNGWOFFOG-SIAOZKNOSA-N 437.456 0.795 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1780167163 FJTSPTSTBXUJHJ-ZHRRBRCNSA-N 426.473 0.537 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1780168983 XKCPMZUKLZDEDR-JOCHJYFZSA-N 438.440 0.723 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)c1Cl 1780188057 MZCZYBZCQUXQGP-HXUWFJFHSA-N 445.863 0.207 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2 1782010627 QSFSCXUCMBYBBH-JLTOFOAXSA-N 445.863 0.827 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1782467450 MOUWGCNRMULJIW-JBYIUTFZSA-N 442.520 0.275 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2)C(F)(F)F 1783208320 UFTGBHUIANNZNH-QAPCUYQASA-N 443.426 0.405 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783397606 DSJMLVJQRGIRRB-QVKFZJNVSA-N 425.526 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cc(F)ccn3)C[C@@H]21 1783529367 LFKBHPBMEOMQEB-VSNJVJMGSA-N 444.507 0.991 30 20 ICED COc1ccc(OC)c(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783561298 MNFKVHHOEAOJBI-JOCHJYFZSA-N 430.457 0.554 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1783905865 TZRIUZGDKHUOPJ-OAQYLSRUSA-N 433.530 0.873 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)cc1 1786721336 SMLKXTIXCHYJOY-FKBYEOEOSA-N 440.544 0.803 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(OC)OC)C[C@@H]32)c(C#N)c1 1789839807 KKGWORLXQQNQOR-SNRMKQJTSA-N 431.489 0.708 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)ccc1F 1789906585 MNJLAOVAMXNJOG-IEZWGBDMSA-N 426.452 0.511 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1791286415 BFGTVNKFNCHZRJ-WSTXMBPASA-N 447.463 0.906 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791525893 MRPDPAYCOHSFMD-VUYWEDGLSA-N 441.532 0.353 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncccc1C)C2 1792484195 HZIMSTFRIJLGMW-NOOKGOPLSA-N 426.517 0.771 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1 1792832363 FIQHUMANHCSNIB-CWPLJXCYSA-N 437.456 0.595 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090392 SIHRYPMHJLGGHM-WCXIOVBPSA-N 428.555 0.156 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C(C)(C)NCCC#N)CC2)CC1 1796044160 GDVMHIGPWLKANF-REPLKXPHSA-N 430.597 0.686 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1nc2ccccn2n1 1796101384 USISZNKEJHDISH-XEMDLRDOSA-N 437.500 0.631 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)CC1 1797237624 QNPJSCFXAGAPJH-UPHUGPLXSA-N 429.496 0.148 30 20 ICED 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 1799365795 WAVAUXQPPJXCDX-USRAEIGSSA-N 431.555 0.170 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(C)(C)C 1803383675 LNWIBDCQWHYPCN-NSISKUIASA-N 428.489 0.726 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807145479 LHNPTZJMWJPTER-BZSNNMDCSA-N 443.552 0.816 30 20 ICED Cc1cnc2c(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)cnn2c1 1809844462 ZTCWOXYQEAICTG-OXQOHEQNSA-N 432.440 0.840 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)CCC1 1812720430 NMZWMHZOGZUZDX-AZUAARDMSA-N 429.521 0.068 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1812882678 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O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835100285 KTJFVQSCQXBVFO-IOCYEQIYSA-N 438.528 0.966 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1835448883 ZINSNRIIBUVDQW-HSZRJFAPSA-N 442.516 0.351 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836186994 HDFPFPTZSPKJBM-QFIPXVFZSA-N 429.521 0.362 30 20 ICED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1836559749 CBPFPYJPHNTWET-OAHLLOKOSA-N 446.639 0.302 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1836859366 XMKCZPYWOCZZQV-AWEZNQCLSA-N 433.465 0.968 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073685 NOMOXEJUZTYZBZ-JTSKRJEESA-N 426.473 0.443 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837489750 SWZAOTZPYHXQEU-JOCHJYFZSA-N 447.557 0.841 30 20 ICED N#CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1837635586 LLCXJENYRCBHSW-UHFFFAOYSA-N 445.545 0.804 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@@H](C)CC)C2)C1 1839174728 TYEJQNKSBFLKCJ-RRMPHLOHSA-N 425.526 0.326 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839223364 TUJRTXDVIQTZQI-IIBYNOLFSA-N 449.508 0.746 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839224447 SOKOLMGLJBLGFG-YWZLYKJASA-N 437.497 0.612 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450668 CICADXUOGXTNNZ-REWPJTCUSA-N 442.516 0.851 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc([N+](=O)[O-])c1OC 1839471635 IKHIZKLTVXBEBP-FQEVSTJZSA-N 448.432 0.596 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839875922 ZWWWHMYORMLIFM-UZUQRXQVSA-N 442.516 0.472 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)C(F)(F)F 1839891463 GHWKYELYSTXBLV-QGZVFWFLSA-N 432.399 0.170 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c1 1840014593 OQFZASKFTMOJAT-SIKLNZKXSA-N 429.473 0.816 30 20 ICED CC(C)COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccn1 1840042011 VHNFUZXRYJSOOD-JOCHJYFZSA-N 445.472 0.274 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840181030 NDXVTIHIOIOSIO-YADHBBJMSA-N 445.472 0.244 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840825954 XKMITFBDEJSNSG-MOPGFXCFSA-N 428.480 0.770 30 20 ICED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1 1841005797 WAEWHIXERIRTOE-UHFFFAOYSA-N 432.444 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1841054566 PTBCSJHJSLHWCE-VURMDHGXSA-N 429.433 0.674 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1841055857 ZRGFFHBZTGZEOB-JHRJRVHLSA-N 434.496 0.958 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1846979424 SLKATUZBARLPPG-UHFFFAOYSA-N 433.468 0.965 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 447394333 QGVJHOLULPLOOL-GUDVDZBRSA-N 436.578 0.803 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 468625238 LYPPLDOVMPMPMO-AWEZNQCLSA-N 445.339 0.964 30 20 ICED CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 475006148 DEWKVAWPWQOVBV-SFHVURJKSA-N 433.534 0.833 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)s2)c1=O 488138542 AAEQEIFWSRDKDD-UHFFFAOYSA-N 449.579 0.226 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)cc1 491581403 MBWJCTZYERDKEE-UHFFFAOYSA-N 436.534 0.813 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)n2)cc1 492608616 QSHQYBUMOOGEJK-UHFFFAOYSA-N 438.469 0.727 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 494587627 SGARFLXAELLVLL-CQSZACIVSA-N 429.520 0.125 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 498082696 SWSYIJNFCAOVFO-KXBFYZLASA-N 436.940 0.979 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)CC1 499080884 ZWISRGATHPEGBD-UHFFFAOYSA-N 439.534 0.820 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1=O 500014419 ALPZIYMDJGSMSJ-XLIONFOSSA-N 442.516 0.216 30 20 ICED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508840713 MIQWQJCWWMUSOL-AWEZNQCLSA-N 448.487 0.008 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 512469924 UTYPPQHFSKWKKQ-HXUWFJFHSA-N 435.594 0.898 30 20 ICED N#C[C@@H]1CN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@@]12C(=O)Nc1ccccc12 513721498 XJJYCORIFNSZKB-JLTOFOAXSA-N 425.470 0.889 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514030246 CPRWBLMTFPBJKR-BTCOZLQPSA-N 438.532 0.984 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 514892058 BNCYVGKJXBGJHO-UHFFFAOYSA-N 434.499 0.916 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(N)=O 518200576 SWXKPLIAXZCFNP-UHFFFAOYSA-N 448.570 0.065 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 520846303 NHQUYXSZCDIUHQ-HNNXBMFYSA-N 427.575 0.111 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 521309055 GROZTBFKGLLFOU-SFHVURJKSA-N 435.956 0.505 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 521990557 OLOISKFQLGLIOK-KRWDZBQOSA-N 433.428 0.978 30 20 ICED CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 531775701 FMQUJHFIDMKPJY-UHFFFAOYSA-N 426.542 0.621 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)C1=O 535095112 JVOJRZQPHWBTLU-ROUUACIJSA-N 433.553 0.759 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)cn2)CC1 550295195 ULMHTEWQMATTOR-UHFFFAOYSA-N 447.543 0.929 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 552810293 VDKBNHHDKGXSFE-ZDUSSCGKSA-N 443.485 0.421 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCCCC#N)CC2)c(OC)c1OC 553594748 QUWXBVJJDHYCCU-UHFFFAOYSA-N 432.477 0.807 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1 574442152 IVLPBSOLTFUXDT-UHFFFAOYSA-N 428.470 0.527 30 20 ICED C[C@H]1CN(c2nc(N3C[C@@H](C)S(=O)(=O)[C@H](C)C3)ccc2C#N)C[C@H](C)S1(=O)=O 579419861 UAAQYULJJCEHJD-KBXIAJHMSA-N 426.564 0.977 30 20 ICED Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588871284 SCCKXBHUIJPIBJ-RTBURBONSA-N 434.500 0.915 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 610608199 HOIGZOVDLSFUGJ-NSPYISDASA-N 435.387 0.935 30 20 ICED C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 731861829 PTNBKTVGLMDHSH-SVJNUATESA-N 431.493 0.766 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)CC1 746187220 HTYFZXDEEXEAAU-UHFFFAOYSA-N 436.534 0.871 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(C(=O)C(F)(F)F)CC1 746311444 OTLNSUUHJDPFBH-UHFFFAOYSA-N 432.424 0.642 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 749630020 YVRRJYKOHGABJC-UHFFFAOYSA-N 446.489 0.045 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 754319619 DXKYGRKWOJXWJK-UHFFFAOYSA-N 425.308 0.376 30 20 ICED N#Cc1cccn(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=O 758205355 TVGXBJBDIVOMKG-UHFFFAOYSA-N 430.486 0.845 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)c[nH]1 765144993 DXFQNBTZYKUPSF-UHFFFAOYSA-N 441.469 0.088 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)c1ccccc1 767681538 RWWNQAHPTVIVRN-CQSZACIVSA-N 429.454 0.767 30 20 ICED C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769217445 OOEWPXCXMJJXKH-UKRRQHHQSA-N 436.490 0.784 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(NC(=O)NC2CC2)cc1 771896510 AUZVUOYIVSBSFF-UHFFFAOYSA-N 434.478 0.070 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)c1cc[nH]n1 772124179 PZKVGSZNHNLQLM-ZDUSSCGKSA-N 429.499 0.014 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775527434 XYDJUOSPLSCJDT-ISPGYRLHSA-N 426.495 0.935 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)[C@@H]1CCCO1 776229506 WTWPEBSRPSVMGX-GJZGRUSLSA-N 441.531 0.731 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)ccc1F 777446154 VZGOMCPCBXAQNH-UHFFFAOYSA-N 429.451 0.895 30 20 ICED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(OCC(=O)OC)cc3)c2=O)cn1 782248433 BOKCUHPENIGAKC-UHFFFAOYSA-N 435.465 0.694 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 783346364 FDAHZOBMPURKEG-MRXNPFEDSA-N 438.506 0.643 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c1 785011395 ZRWQBCJBJUNAIX-DSJDPDHUSA-N 447.517 0.317 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)CC1 792973637 KZJJNGBLTZFPEY-UHFFFAOYSA-N 448.907 0.977 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](N1CCOCC1)C(F)(F)F 803595735 LZXCCFKKSZATMT-CQSZACIVSA-N 434.440 0.495 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 807655942 GIGCORYZDZCIIG-LJQANCHMSA-N 441.532 0.053 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 856619941 SCNHHVFPVKNMIW-HOTGVXAUSA-N 449.529 0.751 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n1 914534402 LXVLIFRBRGYNIW-GFCCVEGCSA-N 442.592 0.858 30 20 ICED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(-n2cnnn2)cc1 918710048 DJYSNQFCGYLUNF-UHFFFAOYSA-N 441.521 0.830 30 20 ICED COCc1ccccc1CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918872340 HMVXLKFPHRMCII-UHFFFAOYSA-N 431.470 0.731 30 20 ICED CN1CCN(Cc2cccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)CC1 1116044662 JMYWYRGGEOEQOY-QZQOTICOSA-N 426.521 0.760 30 20 ICED Cc1nn(CCC(=O)N2CCOC[C@H]2C#N)c(C)c1CCC(=O)N1CCOC[C@H]1C#N 1116501350 AGUCBXIRXMKVSY-QZTJIDSGSA-N 428.493 0.325 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1300880593 MPTYXCRUYWTNFK-UHFFFAOYSA-N 437.504 0.638 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1318500750 MYRNJBGRVZODDX-VXPUYCOJSA-N 448.501 0.240 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)c1C#N 1320988912 JRSZRSCWPOVZHS-KRWDZBQOSA-N 438.492 0.439 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC#CCO 1325083329 HNPKZNISSDCEHN-CQSZACIVSA-N 431.308 0.094 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1539803931 OMVBKKVPXKRWJY-CYBMUJFWSA-N 431.946 0.664 30 20 ICED CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547157397 QBNYVKJKMYUBLE-LSDHHAIUSA-N 430.538 0.967 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2=O)cc1 1643548055 WEIJBVSMLQBYMI-VQTJNVASSA-N 425.533 0.824 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)s1 1669196598 WTNMHRSMFPFONK-UHFFFAOYSA-N 449.576 0.697 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1698307579 YJQUCZLSYAIPNF-UHFFFAOYSA-N 443.533 0.855 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1706005380 NWXNWODZWAETJW-OAQYLSRUSA-N 426.500 0.870 30 20 ICED CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723630610 BWQPGXBGQAUDMQ-WBVHZDCISA-N 449.581 0.271 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1730595978 NYZZAYDQBYXACH-SFHVURJKSA-N 446.533 0.704 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1766671229 ORLVHBGTXNZJDV-HXUWFJFHSA-N 432.550 0.754 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778958929 ZQRBAFHDEBKHBM-OPAMFIHVSA-N 427.505 0.904 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779056345 FPNAEMQSXLBCCK-CCLIMJOLSA-N 429.525 0.579 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccccc1=O 1779064968 LFNKMHHEJPPLPB-YADARESESA-N 441.528 0.938 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204894 YWGMOHGUOZZQEZ-OAQYLSRUSA-N 430.461 0.359 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C2\C(=O)Nc3ccccc32)C1 1779284719 HSFFBPVIZOAZCA-IIYNWBAKSA-N 437.452 0.624 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1cncn1 1779429499 VKONUEXTQAODPJ-GPRAMGILSA-N 448.524 0.882 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1CCN(C)CC1 1780698347 DEYFENDHSJZPDG-MBSDFSHPSA-N 425.533 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1780736702 MBXUCWLIZAHWJH-VGOFRKELSA-N 447.488 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1781264409 ZAVRGVRRCMTYGK-HNAYVOBHSA-N 430.523 0.006 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1781270560 OQGDXKFDYMMKCX-KKSFZXQISA-N 431.493 0.616 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782157067 PCXKJKGEGIFNJW-NRVIRDBHSA-N 432.473 0.344 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1783900773 OENFOHLEXTXUIL-XIKOKIGWSA-N 430.523 0.991 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)c1ccc(O)cc1 1784022619 RKPAWLLVRXZSAT-HBDUWURDSA-N 441.528 0.442 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(C#N)c1 1784597307 KQGXOCNWXOMKCS-BTYIYWSLSA-N 439.476 0.187 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785888609 MFOYCOWPEGEKLH-JYJNAYRXSA-N 434.493 0.843 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1787514468 BCJVUJPWYGPGIQ-ZEWNOJEFSA-N 426.517 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787603371 BUEFTLMLFPGLAL-WMEZAQDKSA-N 429.473 0.500 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1788600860 FEMZXTJLJLEGCQ-MYDFWUKSSA-N 431.581 0.778 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788601072 UEUDSDLBGZXNNE-QBESIMBKSA-N 440.508 0.189 30 20 ICED CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)C1 1788660240 CVQMYQOTDCLKLB-MMXRTEOQSA-N 436.553 0.837 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1790862173 WRJSWPOPOMGEME-DVMWJLJYSA-N 426.517 0.995 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147578 YYWNLLBSRZJCRT-JPLJXNOCSA-N 440.500 0.538 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1792531576 MOKMBQYDNVNSBN-IIZPIQPGSA-N 426.517 0.995 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1794005561 BAZOZQQWSXTUEG-HBCWATKFSA-N 442.407 0.705 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795866434 CMLGDXNTLPMXDY-SFNKJDCFSA-N 447.536 0.942 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1-c1cccc(=O)n1C 1795935333 QUIUUQUGNWLPEC-FAQVEIGNSA-N 437.500 0.496 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1796045556 FRLDGNSRIGCLBJ-MUJYYYPQSA-N 441.536 0.550 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446069 JGZOJUDMDXQFDT-PQVZQDFCSA-N 448.545 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538475 GNTZHTLDZDQALS-VWPFQQQWSA-N 425.441 0.063 30 20 ICED 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)NC(=O)c1ccccc1)C2 1797712417 HGQXCJPYHFBCPN-LFZDHENXSA-N 443.544 0.968 30 20 ICED O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1798099457 FESOKXHVMVYMIQ-XEWVVZMQSA-N 427.417 0.090 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799083928 FZQCDFKMXKSWLR-DFYYWFRZSA-N 428.493 0.662 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800672889 MDTNROMKWPPKOR-WRGDSQCOSA-N 437.541 0.572 30 20 ICED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)cccc1=O 1801989128 AUQUNFUJSWKHFX-FAQVEIGNSA-N 436.468 0.539 30 20 ICED C[C@@H](S)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 1802298810 VUBPXYHYPMMUEZ-RGDJUOJXSA-N 428.555 0.712 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1802327059 LARRZPZMWHRYHP-ZSIBESPRSA-N 425.482 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1802499819 UKZQIWKDGNCKNE-KVANESHQSA-N 448.545 0.381 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813572028 VZXRVFRRVLAJNN-ZVYDBLGCSA-N 448.545 0.381 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1819241245 CGPBPPHSFLNNFZ-QGNMNCIQSA-N 449.512 0.938 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1819844250 SPKYQWRLWXHMCY-ZDUSSCGKSA-N 429.506 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831391731 USGZNYDRJJPRAJ-UZUQRXQVSA-N 444.484 0.453 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1831397220 VZVRHZCJMLOYHN-VLIAUNLRSA-N 432.502 0.733 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1831398690 HZXOJOBTJILYOD-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831426819 PJELOLAMHSMWOV-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831889708 AXXJOSLNCPHDAL-IBGZPJMESA-N 425.432 0.667 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)c1 1832424190 OSIIGUIDPJENAE-JOCHJYFZSA-N 443.504 0.359 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1833306585 FTMAMEDLAXZWMX-JKSUJKDBSA-N 433.505 0.235 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1833428852 OGGUBBQMJWAVGG-UHFFFAOYSA-N 448.527 0.688 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835377423 WFVTZSYKTRRQQA-GQBVICOWSA-N 435.569 0.400 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835705474 HYLZIFFICCNDNJ-KNQAVFIVSA-N 446.504 0.047 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836844181 HASREBHXMGQXRU-OXQOHEQNSA-N 433.534 0.754 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077501 AFVSNXOLNCGZJG-UHFFFAOYSA-N 442.463 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1837399218 OIEBPTDHTRFSEE-IEGUWTFLSA-N 446.548 0.912 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837485971 RNSFMLFYHFGORA-XMSQKQJNSA-N 429.521 0.927 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837490597 IDUJNCYCKVHOJH-JOCHJYFZSA-N 430.505 0.487 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795152 WFBAUGHWFYGRFF-INIZCTEOSA-N 442.520 0.897 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccn1 1840162073 LIGRRDNRHZCEFT-VBKZILBWSA-N 437.518 0.647 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270713 CPDXRDAGGCYKPH-SPEDKVCISA-N 438.521 0.503 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)c1ccc(O)cc1 1842947990 ZYNUTYZTNFSYMD-PKOBYXMFSA-N 426.517 0.685 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@@H](O)CS(=O)(=O)c3cccs3)NC[C@H]2C1 305217771 TWDVESPXTMHHGR-UONOGXRCSA-N 444.579 0.763 30 20 ICED COCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427278396 YYTHXSODYUEOLI-UHFFFAOYSA-N 425.492 0.768 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 435601237 KUMKFYQBLGAAGQ-YJBOKZPZSA-N 430.548 0.967 30 20 ICED N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 439336414 JEOFWMQSWLFWOM-UHFFFAOYSA-N 427.505 0.839 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCOC1 441936526 QUHANRHRNMGHAB-CQSZACIVSA-N 433.555 0.582 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1CC(C)(C)O 445209080 YJVRYJUKCODOBT-CQSZACIVSA-N 428.468 1.125 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 465502745 LRLSTSXTOZBUCS-GFCCVEGCSA-N 446.445 0.927 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)[C@@H]3CCCO3)nnc12 468651216 BCWKSSLRDOIDEV-ZBFHGGJFSA-N 429.502 0.978 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 471160269 DYMNTGVIWPGJHN-UHFFFAOYSA-N 434.518 0.007 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 472420799 DYXCHDATPPOGCS-UHFFFAOYSA-N 430.896 0.911 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 481501738 VAXHQZNPUFOUAO-RHSMWYFYSA-N 436.559 0.791 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 489012426 MURZZTHXGZJCRS-LBPRGKRZSA-N 438.490 0.988 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)NC[C@@H]3CCCO3)sc(=Cc3ccnn3C)c2=O)c1 502044486 DCFGYTJEMFPQAH-SFHVURJKSA-N 449.536 0.739 30 20 ICED N#Cc1ccc(C2=CCN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)cc1 504760990 XIVUMUSDVLFIOY-UHFFFAOYSA-N 448.483 0.868 30 20 ICED CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 509321861 JYKNVCBQVFYFOJ-UHFFFAOYSA-N 447.455 0.827 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4nc(O)nc(O)c4c3)CC2)cc1 512363223 QHGQHJGELQOQMH-UHFFFAOYSA-N 440.441 0.454 30 20 ICED CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CC(=O)N(C)C1=O 513932566 XYTUOPUDZYAVGH-HZPDHXFCSA-N 425.445 0.759 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 520508680 OKEZGHWHQMZJCR-IRXDYDNUSA-N 446.504 0.574 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 530345869 FBOXPBJVYGNHFI-UHFFFAOYSA-N 430.490 0.920 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 531939691 MADIHBFTHXIQNF-YUNKPMOVSA-N 441.469 0.918 30 20 ICED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nn1CCC#N 540816661 XUKZNSZLFPFUJS-HOTGVXAUSA-N 439.542 0.609 30 20 ICED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 559060271 FIGUHIDQDXAZSQ-CQSZACIVSA-N 446.533 1.322 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 561858676 SUIAOYWFNOTCDE-MJGOQNOKSA-N 434.500 0.786 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 579279066 SVIYHPTVASUKAM-AZUAARDMSA-N 428.533 0.717 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659186 JAUXRDXHKHTQOS-LJQANCHMSA-N 428.537 0.607 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)nc1 590000185 FZZNHOQNSVOICY-HNNXBMFYSA-N 432.458 0.861 30 20 ICED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 590709000 MXLBURAJZVZBIO-UHFFFAOYSA-N 445.501 0.540 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609146864 NJZZRFOIJHMJFR-MRXNPFEDSA-N 425.537 0.916 30 20 ICED CC(C)(CO)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 611515973 VONPGVRFJUMOLR-UHFFFAOYSA-N 434.562 0.874 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 642709656 KPYXIXBWVOCXSW-UHFFFAOYSA-N 430.552 0.992 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2)c1=O 729674514 IXCNPOYNRPXWSU-UHFFFAOYSA-N 438.328 0.744 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)CC1 733149588 LYPOPQVHPPCZEZ-HXUWFJFHSA-N 440.544 0.974 30 20 ICED CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C(N)=O 742244872 AVXBWTZCHHEXJS-RNWAHURQSA-N 437.522 0.598 30 20 ICED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 743182530 RKQRRVQQMLPAEA-NXVVXOECSA-N 425.442 0.724 30 20 ICED CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1OC 754319410 KEHPTYCPUGYEKV-HNNXBMFYSA-N 446.551 0.288 30 20 ICED COCCc1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1N 754803238 BKJVXKIFYKXPTM-MRXNPFEDSA-N 433.513 0.821 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 759013069 LUKHYDPJHNMGIQ-UHFFFAOYSA-N 445.321 0.927 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCS(=O)(=O)CC2CC2)C1=O 764875244 MAPFASRPXFMQRH-BWORXHKJSA-N 438.575 0.885 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(=O)n(C)c1=O 771888879 HVGCNYJJKDYHDV-UHFFFAOYSA-N 428.470 0.975 30 20 ICED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 779207763 CKLMNDLZOZVDRN-INIZCTEOSA-N 431.518 0.792 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 793414900 YPHKUPGWVLCCFL-PMACEKPBSA-N 449.511 0.472 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 793819041 GANBQRTUUPSDRB-PJSUUKDQSA-N 449.508 0.477 30 20 ICED COCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 796485222 IUDSVFGGKKPRKZ-CVEARBPZSA-N 444.554 0.093 30 20 ICED CN(CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 798107881 QPDXIPBNLTUSAI-WUKNDPDISA-N 439.469 0.272 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799584083 BHLWCWYDAGIJOS-FOCLMDBBSA-N 443.432 0.069 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c(C(F)F)n1 812279874 VOPMNRNENJKUGT-UHFFFAOYSA-N 446.439 0.399 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 820816914 QBNHYAJHFRORGR-NSHDSACASA-N 447.307 0.669 30 20 ICED CCOC(=O)c1c(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 1216502161 LXHBFZLEVZLBSO-CQSZACIVSA-N 441.510 0.680 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1290634914 XULATJIDKINEPD-PMACEKPBSA-N 447.565 0.819 30 20 ICED CC(C)(C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1302204708 KSGFCKARAVBUDQ-CQSZACIVSA-N 426.481 0.959 30 20 ICED CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1302614480 WYRHVJMSGSSCSP-CABCVRRESA-N 441.579 0.821 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1359468974 VMVPLMWMSXZIDD-QRWLVFNGSA-N 448.549 0.943 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1692792279 DAPUGTBWOQVPQI-GUYCJALGSA-N 448.528 0.647 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1706071839 YJSCKOWOZXJOLZ-LSDHHAIUSA-N 427.575 0.595 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1707826942 ZIMGXQNEDLNPSI-SFHVURJKSA-N 438.533 0.910 30 20 ICED CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1710193760 ZHEXGXYFYVQJTD-HNAYVOBHSA-N 434.497 0.852 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCO[C@@H]1C 1723925117 KBDNEHDPLBFHSZ-PMUMKWKESA-N 426.543 0.558 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)CC1CC1 1726406802 VLMHWCLXWMLCOS-AWEZNQCLSA-N 430.538 0.788 30 20 ICED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1OC 1771342160 MEJPKSALEHXYEF-CALCHBBNSA-N 435.506 0.623 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779181292 ZPMGFQPIDNTROL-HJPURHCSSA-N 448.483 0.610 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779359413 NFSRVDNDAGDFAL-IWGJDDPLSA-N 433.553 0.594 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c1 1780181855 QDBOKRPELGXBFU-SQGPQFPESA-N 434.518 0.591 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599611 PCYXPFTZIBITDL-JTSKRJEESA-N 444.488 0.845 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(Cl)c1 1781974820 PNYIXUHXNHNCNL-OAQYLSRUSA-N 441.875 0.912 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1783683583 UJAZRLJHSUZQFP-BPUTZDHNSA-N 445.545 0.421 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783931238 XPLPYBASVNINFA-FCHUYYIVSA-N 447.463 0.686 30 20 ICED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784314204 MRMFLIQJRDLNIJ-HRAATJIYSA-N 446.508 0.589 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C(C)C)CC3)[C@H]2C1 1784991943 PNBSFPGVOXLKBL-KZBNWSPGSA-N 446.592 0.945 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)cc1C#N 1785196761 OIBVYXVEZQRMJQ-KSFYIVLOSA-N 428.489 0.923 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375563 DIZKDHOEEGPDEX-HSZRJFAPSA-N 442.516 0.929 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1nc2ncccn2n1 1787937317 MNIQEXJHVOPWON-GEYUMRBSSA-N 437.460 0.430 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788134223 BJHPDSSSGHTJOL-ULQDDVLXSA-N 435.525 0.090 30 20 ICED Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788656205 KPAUFHFEGLMYLO-VNWIBMOYSA-N 431.493 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788744061 NQGOLQPWMPMDBZ-DIXNWWEZSA-N 442.516 0.247 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511565 YSUXMUKBVQFGPO-HAGHYFMRSA-N 428.489 0.303 30 20 ICED Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789904739 SALZNOJDJMSIBO-QOKNQOGYSA-N 426.452 0.662 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424385 VJFRPSXBQCECHP-KBMWQNTOSA-N 441.532 0.788 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1793342991 DSTHXFJBECAVAP-XPCVCDNBSA-N 439.310 0.424 30 20 ICED C#CCO[C@H](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 1793350084 YNINJHRDPSJDCZ-ZSXDVEMLSA-N 447.532 0.531 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cc1 1795077390 IMOPDXIRBKPGCM-GGXPGOJBSA-N 434.518 0.165 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795081881 QOSRLKYPZZJPAG-RIUYPTKQSA-N 436.509 0.108 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1796448253 IHICBKRVAHNOBC-ULHRCPGESA-N 431.514 0.603 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)ccc1F 1799324432 GZMBFSKFAQRJKH-VPTLXERWSA-N 440.431 0.542 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)cc1 1799640953 FTLKKKNPZVCJNX-OPMZPASUSA-N 436.468 0.271 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 1800455801 RGSFKCDYJOMOKX-OLMRKFRDSA-N 446.504 0.365 30 20 ICED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801300640 YLISKSBXEGAWRB-SHXSXUFKSA-N 447.542 0.987 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802844197 VZZFPNCBXKMYAT-QXCFHYIPSA-N 445.520 0.605 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](CNC(=O)CC#N)[C@@H]2c2cccnc2)CC1 1806285558 HWTAKICYGRYWKE-HKUYNNGSSA-N 433.534 0.673 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)[C@H]2c2cccnc2)CC1 1806850432 YUKDDSLETLZVLI-MJGOQNOKSA-N 445.545 0.817 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1810253252 FSUFJVJLAZODSE-LAVFITLUSA-N 427.509 0.908 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318915 WJNYJVQNBSJTPZ-BXUZGUMPSA-N 432.502 0.553 30 20 ICED COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830225464 SKIJOVOAQALOBW-QHCPKHFHSA-N 428.485 0.944 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830912012 PAGVJEGFWYRWNJ-AOLYAMSZSA-N 425.463 0.976 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207304 CMNCXHZVIYPHTN-JTHBVZDNSA-N 428.485 0.598 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218659 YOBRKEDYZHYSKZ-JOCHJYFZSA-N 435.521 0.769 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831487307 MUMWJEIHYLLZHV-WMZOPIPTSA-N 430.958 0.947 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1831950776 INZBJXLBZDGVLH-JOCHJYFZSA-N 445.520 0.442 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832684342 REKHHLIUAYRSDJ-YCRPNKLZSA-N 436.509 0.033 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835146449 QDNXWXCBVYKWFZ-NRFANRHFSA-N 436.530 0.883 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1)C(F)(F)F 1835483988 VSFHRIAGRZWMJR-UHFFFAOYSA-N 445.530 0.924 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1835681434 ZAALETBXOMVVQT-JOCHJYFZSA-N 429.521 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836182890 USSQZFMZXGRPMG-HSZRJFAPSA-N 445.516 0.980 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)Cn4nccn4)CC3)CC2)cc1 1836422066 MBVSGHBCYWHEKD-UHFFFAOYSA-N 435.532 0.964 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848300 MLHSADXLEJTIMH-IERDGZPVSA-N 444.492 0.600 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838493890 HKSMDXVAOAWLMT-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838642406 JUSGKBYLCQMGSP-INIZCTEOSA-N 435.521 0.631 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735169 YDYFSZKSRILLRP-NRFANRHFSA-N 428.493 0.238 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1839420569 QIISFNDELZGHKG-FQEVSTJZSA-N 449.508 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OCC)c3O)CCO2)C1 1839425690 ZROWTONCNDEXDZ-HXOBKFHXSA-N 446.500 0.899 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518317 MOTVZPISDNFPBW-KKSFZXQISA-N 449.508 0.537 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839648096 SHDSDPOKKBYOHK-VROYLXGSSA-N 426.473 0.668 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1839784761 UUSHSOGWRACYEA-XJKSGUPXSA-N 440.440 0.139 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)C2)C1 1840042449 VZBKVZAICCSEPN-ITTUMRLJSA-N 442.493 0.419 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1840044799 YJHJMTURGALOIB-QFIPXVFZSA-N 439.424 0.098 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841136334 MVGSIRDBNSRRSU-OAHLLOKOSA-N 435.525 0.378 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2sccn12 1847263874 QAGAKJSAAAUGNU-NMEQGOOXSA-N 427.486 0.430 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512489 SFQBAXQKSOVJGQ-VGWMRTNUSA-N 425.526 0.647 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)CC 1847789937 GPLDAQSKMLWCQO-JYJNAYRXSA-N 441.550 0.540 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 11090949 WFVJYIPDBCFAQM-UHFFFAOYSA-N 428.467 0.247 30 20 ICED CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 440891611 KWXKGZQPRJLCIA-INIZCTEOSA-N 426.477 1.342 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)ccc1OC(F)(F)F 443325572 XTTSFTIGYDMJEC-ZDUSSCGKSA-N 427.383 0.851 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCSC 443569891 ZDYTVHJWLKCRFM-UHFFFAOYSA-N 433.555 0.547 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 461770544 WTYVHBNNFJBAJH-CYBMUJFWSA-N 435.893 1.371 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CCN2CCOCC2)n1 465259382 WXCWAEOTMZCAQA-INIZCTEOSA-N 425.497 0.620 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3O)CC2)c1C#N 473004943 YGXUTGCYFGVIED-UHFFFAOYSA-N 432.506 0.519 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477219153 IGGZRASVNCJTNM-UHFFFAOYSA-N 444.444 0.505 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 482075173 LIDQSOBJIAEELK-SNVBAGLBSA-N 428.396 0.878 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 482493758 ALKMXDPSAHOVJE-VGSWGCGISA-N 442.541 0.978 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 490353875 NJPCCTBXRALKEL-UHFFFAOYSA-N 439.451 0.460 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1S(=O)(=O)NCC#N 497469811 WBZSGQDYOBUASA-MJGOQNOKSA-N 433.578 0.895 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 502146115 OPTBXVXDBNPCKP-AWEZNQCLSA-N 444.556 0.777 30 20 ICED Cc1cc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)nn1CCC#N 504590959 FFFUBGWQVPKTLG-UHFFFAOYSA-N 429.481 0.805 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)c(F)cc2I)n1 508302172 CGBWOMYFGNSZCH-UHFFFAOYSA-N 446.155 0.787 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O 508653577 SJOZHJAXINFZGM-SPLOXXLWSA-N 427.461 0.879 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)OC)C1 508841384 QNJJFTDPQGJJLJ-INIZCTEOSA-N 435.506 0.760 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 511660620 BEMDQEKLCSOVQA-CYBMUJFWSA-N 448.423 0.978 30 20 ICED CS(=O)(=O)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539374263 MXHUZAMFKSRLAL-LJQANCHMSA-N 437.541 0.502 30 20 ICED CN(C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1)S(C)(=O)=O 542066567 UJJTVEHGJOVLPY-UHFFFAOYSA-N 448.480 0.704 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1-n1nnnc1C 551544187 OHDZAULRDSGUHK-UHFFFAOYSA-N 447.459 0.533 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 558545381 XNNLKZVIAUPTMQ-GFCCVEGCSA-N 436.444 0.642 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccccc3Cn3cccn3)CC2)c1C#N 559541911 ZTEUXGWLFQXMAJ-UHFFFAOYSA-N 446.515 0.810 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)n1 560986527 LLYHPXZKKNZBNQ-MRXNPFEDSA-N 429.550 1.441 30 20 ICED Cc1cc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc2n(C)c1=O 571185443 UHUVEYCJHUOOMR-UHFFFAOYSA-N 425.489 0.860 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 582096759 ZOSQPGLINGTUNZ-INIZCTEOSA-N 430.472 1.269 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 588810116 IRYPSPSEVHUYKW-OAQYLSRUSA-N 448.527 0.485 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 609420890 HAHNBBOCFHVHRY-UHFFFAOYSA-N 435.550 0.407 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc2c(c1)OCO2 609765361 SVLGYTVWVRHNHV-UHFFFAOYSA-N 447.472 0.812 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 611544818 MOKOKDSAROQPED-TZIWHRDSSA-N 440.548 0.759 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(C#N)cn1CCOC 614215846 ITBHIYZPPNZKBO-AWEZNQCLSA-N 446.464 0.683 30 20 ICED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669805775 GZHBDLLXVUFPCS-UHFFFAOYSA-N 439.567 0.384 30 20 ICED CCS(=O)(=O)CC(C)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 733743504 VPEMKMJBXJLVBZ-UHFFFAOYSA-N 434.496 0.838 30 20 ICED COCCOCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737234326 WWNNTUBGPHWBHF-XLNRJJMWSA-N 440.522 0.607 30 20 ICED CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 741452118 YFLCFQNWUANTDW-OAHLLOKOSA-N 446.507 0.981 30 20 ICED C[C@H](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 743286219 VMTDKTLLVOOEHS-GFCCVEGCSA-N 433.490 0.790 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)cn1 751823668 PUEJDRZJPTVUBW-UHFFFAOYSA-N 449.602 0.391 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C#N)C1 757900008 WXGIBPOOTQSNJA-LBPRGKRZSA-N 430.508 0.468 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)c2)c1=O 758059735 NKGQGNCBNUTPFC-UHFFFAOYSA-N 425.535 0.630 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N)cn2)CC1 776459554 WHNRMOUJOMYAQL-UHFFFAOYSA-N 429.458 0.225 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnn(Cc3noc(C)n3)c2C)c1 783016811 ZOFSSXVKLKWVMU-UHFFFAOYSA-N 449.471 0.813 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787663483 VTNRPUUNEAOTKG-OLZOCXBDSA-N 438.506 0.078 30 20 ICED CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC(C)C 789928533 FSAFBMKFZMSPPH-KRWDZBQOSA-N 430.509 0.879 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798742797 UNIJBNRIUNVFKK-GHMZBOCLSA-N 429.389 0.854 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)n1 804569235 DRDHWZJMKRUWLX-MRXNPFEDSA-N 437.500 0.888 30 20 ICED N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 804820066 ZKKHBSKXFDCZSQ-UHFFFAOYSA-N 430.442 0.263 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3nc(C)n(C)c3Br)CC2)c1C#N 805075983 NDDSXPQISOZIET-UHFFFAOYSA-N 442.343 0.916 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)[C@H]1CCCO1 809309854 HKGALUWAQIBQMP-WOJBJXKFSA-N 447.557 0.940 30 20 ICED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1=O 812289271 BCTWESVGSQLQQO-VFNWGFHPSA-N 435.525 0.984 30 20 ICED N#CCCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 815218817 GMSQIJOUPPPGQT-UHFFFAOYSA-N 441.481 0.912 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 816456750 NKMLXEZZNGHHBX-OAHLLOKOSA-N 443.489 0.813 30 20 ICED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1C#N 912860966 QMASGDJWSAPFHQ-IZZDOVSWSA-N 425.474 0.354 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3SCC(N)=O)CC2)o1 915379420 IGULTOZPNQVZRN-UHFFFAOYSA-N 443.485 0.938 30 20 ICED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 919818936 UIPJFJHSOCIMQZ-QGZVFWFLSA-N 428.532 0.526 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291373027 KIEAFBMTEOPRIF-QAPCUYQASA-N 426.543 0.512 30 20 ICED CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314780688 KWDXVGVDGWXFKF-UHFFFAOYSA-N 431.478 0.902 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1314934182 MNBMVJQUYWGVKN-UHFFFAOYSA-N 439.520 0.884 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1314951811 QCEGBGVBOAFDMZ-INIZCTEOSA-N 439.520 0.884 30 20 ICED C#CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1325086825 YFNYXHWXFCMPPJ-SWLSCSKDSA-N 445.335 0.483 30 20 ICED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1492904842 MTUZJGHRHBBUBN-UHFFFAOYSA-N 430.534 0.725 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1503280444 NHVCTHHNRDCVIJ-INIZCTEOSA-N 445.505 0.397 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1503292391 VRJAHBIBMYJKLM-JJCDCTGGSA-N 430.534 0.927 30 20 ICED N#Cc1cn(CCC(=O)NC[C@H](O)COc2ccccc2Br)c(=O)nc1O 1545419584 PVVVQINUIRIOHO-LBPRGKRZSA-N 437.250 0.529 30 20 ICED CN(C)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552677666 ACDONHBSRIQURZ-QGZVFWFLSA-N 428.541 0.559 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c1=O 1559415803 IMFQHCYYFIIFAA-UHFFFAOYSA-N 440.422 0.922 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1711287615 ZHRBHQICJBIWIT-SFHVURJKSA-N 439.520 0.930 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1741046247 ZGHUOQPUWLEWSG-QGZVFWFLSA-N 428.518 0.920 30 20 ICED CCCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745788657 GMBDOMZQGXZYPB-KRWDZBQOSA-N 430.557 0.899 30 20 ICED Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751962246 VTYLIEJCLKGUFH-CZUORRHYSA-N 448.553 0.718 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1778970943 HAMYSBCOQZZLMM-ZHRRBRCNSA-N 442.520 0.758 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccccc2=O)C1 1779518515 ARNWWPTZNZFAMJ-PABYOWBDSA-N 429.517 0.962 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)cc1 1779522112 RYYKQBHKPJZPOH-QFIPXVFZSA-N 435.440 0.733 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962262 UKDZKWBZJBLSIU-VSIOZEBNSA-N 425.493 0.645 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781052462 JDTWSTKZVNHZAU-BSRJHKFKSA-N 445.564 0.499 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784091 CHUPAMNGXQVMHQ-IERDGZPVSA-N 448.545 0.524 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](N)c3ccccn3)CCO4)c2c1 1782195828 KURWYZUUIJKRCU-WMZHIEFXSA-N 445.483 0.973 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783893416 HPQQAKZLMBNRAO-IQUTYRLHSA-N 431.555 0.674 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980962 MAAZUYUIUUJCSC-IBGZPJMESA-N 438.406 0.989 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C)cc3)C[C@@H]21 1784486430 BMEQLWFOYWXSDJ-HZEGPAAWSA-N 441.528 0.743 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1)C(=O)O 1785080466 XXAZOQWMVGSJEQ-YBOAYWMSSA-N 428.489 0.820 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1785378857 UJDQNYXUXPSGHQ-LJQANCHMSA-N 437.399 0.877 30 20 ICED O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785389043 JGBJOOFTOVQVAF-OIROCEHISA-N 431.493 0.528 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1785573374 VOEJRYSYHWYGGH-OPAMFIHVSA-N 445.520 0.780 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(=O)nc5cccnn45)[C@H]3C2)CCC1 1789199588 PZXCZPGZBLCKFY-ZOBUZTSGSA-N 436.472 0.377 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c1 1789259977 NZVLANNAWPUGIO-CBVHJVASSA-N 426.473 0.296 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789572752 ZFPBWMQKWINXMB-QZHFEQFPSA-N 433.530 0.832 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789952816 UEKHVWWCYNBEOF-QEOTZNIISA-N 446.570 0.095 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1789954692 APBLATKELWGZDH-PYTWLRIVSA-N 433.465 0.569 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)[S@@](=O)c1ccccc1 1790601033 SGLNMCITBYKLPK-JGHQQUMQSA-N 432.498 0.250 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(OC)cc1)C2 1792484713 LGVYAETWPAXRPJ-QVRRELRWSA-N 443.500 0.522 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1792490618 JDHWVFXLFVJMDN-LEDMXFKVSA-N 446.435 0.796 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 1792893794 KOILEMPVONXRPC-ZUGKJJTMSA-N 425.551 0.920 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1793351058 CUCZGFBJDJQNQG-CCWDJLKJSA-N 446.529 0.942 30 20 ICED 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[nH]nnc1C)C2 1793595495 OUWATRGDVZDEQK-IVSAIRAKSA-N 448.524 0.786 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1793818888 GDTAYZQLFIDUQO-JLVBRIDZSA-N 439.559 0.608 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)c(C#N)c1 1794011805 VMMUICQPOLHUEV-BJWYYQGGSA-N 439.472 0.299 30 20 ICED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794110924 BRVNKHDWYWABQN-IBTNMTNLSA-N 430.505 0.795 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104738 KYWYUBSFOWOMEC-AMVTXUCVSA-N 428.489 0.761 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)ccc1F 1796140655 TWLOROKTIBWATB-VPTLXERWSA-N 440.431 0.949 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796316163 APRPLXCMVZENHB-AJYBTWMASA-N 427.505 0.527 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1797810275 OEPSLEYEIHXBHN-VLJMEKQJSA-N 437.884 0.862 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C(C)(C)C)nn1 1798708011 BLBLEVOASROJND-JLVBRIDZSA-N 433.509 0.746 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863464 QEYBGBYANFQWSG-ZMMAXQRCSA-N 444.488 0.605 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)cc1 1799642656 JYCDUEOUEQPIQX-FCGDIQPGSA-N 431.514 0.533 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c(Cl)c1 1799750690 HXQTUHDHWQXVLW-BKEDOTJMSA-N 430.892 0.941 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1800984069 HROCNULRJDAFKB-LJGDNWOOSA-N 426.560 0.541 30 20 ICED NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1 1801655729 TUHPNGXTTRBQDV-CEFOWJICSA-N 427.505 0.460 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994253 FRZPMMGMERPWEN-KFVVBQDRSA-N 445.472 0.142 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810292597 ZXOXAVQHOVJAMT-DCVKHINQSA-N 425.493 0.435 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810351087 VRKMRRLSZXIGAW-RSEQLOHWSA-N 448.523 0.790 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1812329342 QVXAGBMOOLRYET-SZVBFZGTSA-N 431.562 0.610 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1812982726 QLBBTDWQKHRWJQ-BRWVUGGUSA-N 448.520 0.868 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829355774 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WLBPNCSEACZHGZ-JOCHJYFZSA-N 433.505 0.647 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831424198 FAMRHAVMYDANEX-SYNHAJSKSA-N 438.550 0.060 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831435578 VLEBTVKQMZZBMX-MWTRTKDXSA-N 443.500 0.842 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831452379 PVZZARIAXVWISB-VKJFTORMSA-N 436.596 0.078 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831491422 BPGCCVGASWGGRV-MDZRGWNJSA-N 425.555 0.325 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1)C(F)(F)F 1832426191 SYXJRLUKFFDCFW-LJQANCHMSA-N 447.454 0.964 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833333353 HHNMAGFMCSRGFF-AOMKIAJQSA-N 446.504 0.701 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833492479 XILNMSIUNABUCW-HXUWFJFHSA-N 435.594 0.769 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762879 XIKAVMZJFCCLGL-WBVHZDCISA-N 439.582 0.111 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)[S@@](=O)c1ccccc1 1835346925 ZSOKIIHKUTWNBU-SYGPAWRDSA-N 445.541 0.943 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)s1 1835358581 GQUHOYNGPATIOU-HXUWFJFHSA-N 435.502 0.837 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1835599179 HFFPBRLCTCEKFT-FPDPHYFHSA-N 425.526 0.326 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682865 WYJJEJINEZBJPV-IBGZPJMESA-N 428.480 0.936 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1cccc(Cl)c1)CCO2 1835724049 IAVOUCXBOBTLJO-PERKRYKHSA-N 449.935 0.835 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1836661728 JZYCZXAKEVTJTF-HSZRJFAPSA-N 440.500 0.948 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836872227 YRZDLYRWBLKWMU-HTAPYJJXSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836889190 IDCPSYIAOGSUIZ-VGSWGCGISA-N 443.504 0.372 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837441006 MEAPLCYNJCFSGM-HLQTZPMBSA-N 432.525 0.270 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837441932 JFQGHIKFPWMZFX-NMWDDECMSA-N 429.521 0.552 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567404 JECFBIIJILLWLW-YVABFXQFSA-N 442.472 0.376 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838597984 ISIZURGCMJAMCO-LHSJRXKWSA-N 448.907 0.806 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838839730 ACCNOASPEPLSNB-AOMKIAJQSA-N 447.488 0.207 30 20 ICED CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CCC1=O 1838950535 NAMUMLDXCLZTQL-QFIPXVFZSA-N 439.472 0.236 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667972 SOILGZBDJIJUTN-STSQHVNTSA-N 444.532 0.869 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1840160946 ZHRYIHHSIZLBDA-ACJLOTCBSA-N 426.495 0.086 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840174622 OKESQHBJKLPZFF-KSFYIVLOSA-N 433.480 0.977 30 20 ICED O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840589123 ZSBUEDOAQWBEMF-AAADOUPPSA-N 433.505 0.972 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCC1 1840814804 ZGYDPGNNLBRKFO-MXZSFLGVSA-N 434.493 0.666 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840840404 QRQSYOMNPONXMX-JPYJTQIMSA-N 431.533 0.647 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840940508 NCJTUYFXNPWQPI-QFIPXVFZSA-N 437.537 0.438 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(c4ccccc4)(C1)C3)CCO2 1840954217 BOCIUHNWFKSFHA-VHYCJAOWSA-N 438.480 0.653 30 20 ICED C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847445167 ALNYRQLWUPAOQG-YBMCFKNNSA-N 426.539 0.764 30 20 ICED Cn1c(CCC(N)=O)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 16877477 PAWZEYWXTZFMOL-UHFFFAOYSA-N 449.562 0.205 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 18951981 SUOONFKJVXUSHH-UHFFFAOYSA-N 449.529 0.604 30 20 ICED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 57937564 FZZXENGEARPQFI-UHFFFAOYSA-N 437.566 0.710 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)n1 410137963 ZEVZNULGSSRGRO-HNNXBMFYSA-N 430.531 0.392 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 428788655 XACGZMUFCXSORX-QAPCUYQASA-N 443.529 0.801 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 430372425 RYPGVKBIYBIJOT-YLJYHZDGSA-N 446.523 0.797 30 20 ICED N#CCCn1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 438306236 PYHFXFUZMHOZDL-INIZCTEOSA-N 432.506 1.576 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)c(C(N)=O)c1C 439580610 KMRZULONFPJWNA-UHFFFAOYSA-N 425.424 0.490 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 441923417 NUQLGRZWMTXITR-ZDUSSCGKSA-N 428.539 0.907 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 441936505 QQKBHRJJMLQRCX-GFCCVEGCSA-N 426.523 0.661 30 20 ICED Cc1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1C#N 443029039 WFHWBSNDYFEMMU-KRWDZBQOSA-N 441.575 0.767 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 460621892 YTVYQPKJHOERFV-UHFFFAOYSA-N 425.493 0.955 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468465731 HSOWDGRXCNHHNX-UHFFFAOYSA-N 436.472 0.767 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 469596879 MPYYPDBIEQKLFF-UHFFFAOYSA-N 445.476 0.924 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3Cl)c(=O)n2C)CC1 487383436 YTHCNUOSCZNZSU-UHFFFAOYSA-N 434.924 0.906 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2)c1=O 488055849 KVJCYVUSDNAJMQ-UHFFFAOYSA-N 445.566 0.470 30 20 ICED CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503629275 PJWQGUNFOGJTST-AWEZNQCLSA-N 428.536 0.397 30 20 ICED N#Cc1ccc(N2CCC(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 504944816 WTLXGVNXNPHQMX-INIZCTEOSA-N 436.509 0.723 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 507673710 FRHCIOOGXYFMCI-NVXWUHKLSA-N 436.534 0.765 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)CC1 512451309 YQZZOYNBFGUGMY-SFHVURJKSA-N 425.541 0.178 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCOC2)c1=O 512726244 VCVPYZCAVPGNHU-OAHLLOKOSA-N 427.530 0.288 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 514309041 YMHNNPDGAKPIJY-JKSUJKDBSA-N 436.509 0.818 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 521804150 IJIYBWPMJBCRJR-AWEZNQCLSA-N 443.529 0.969 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 522027963 DGUYSXYDOBHCBK-QFBILLFUSA-N 427.505 0.349 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3C)c2=O)cn1 523182365 IUUKLKWSPSOMKS-UHFFFAOYSA-N 437.525 0.690 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 530542727 SFMFYRTXSXLZCG-UHFFFAOYSA-N 444.538 0.814 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 542301851 NEAJPSJWVRSNSC-UHFFFAOYSA-N 443.504 0.289 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(F)ccc3OC)c2=O)cn1 562268519 WYNXXPJQNPGDDI-UHFFFAOYSA-N 427.461 0.512 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cn4cc(Cl)ccc4n3)CC2)c1C#N 570145929 SWFGJRXSUPNYNP-UHFFFAOYSA-N 440.895 0.866 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 579534327 ZMPBCMRESURKIQ-AWEZNQCLSA-N 443.489 0.104 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(CC(=O)NCc3ccccc3)CC1)CC2 582373641 CBIWIRUPTRRLEI-UHFFFAOYSA-N 431.496 0.908 30 20 ICED COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 589978118 KNEWRJNVPSTEFP-UHFFFAOYSA-N 435.462 0.852 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 591583183 LLWLOWYLJWXHOV-GASCZTMLSA-N 428.536 0.219 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CC(C)C 603989202 VZDNBODMQSJSDC-UHFFFAOYSA-N 443.525 0.950 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1S(N)(=O)=O 609942027 WHTPRRVNTWNDCL-UHFFFAOYSA-N 445.476 0.941 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cn2)c1 615057526 YWMSKVFMWJGUEH-INIZCTEOSA-N 444.469 0.692 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 615254067 NBLUGEJAXQXKMC-UHFFFAOYSA-N 441.488 0.827 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1=O 623228890 YWJPQGJYOJFHIX-UHFFFAOYSA-N 447.923 0.945 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726180513 NBGYHCQWWORSGC-UHFFFAOYSA-N 437.529 0.247 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 729626489 LYRVSJVPUSYQOT-CQSZACIVSA-N 426.495 0.183 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039037 HUEYSHPJRWWODU-BFUOFWGJSA-N 436.490 0.285 30 20 ICED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746362967 DRXLWLFKWGVGSA-UHFFFAOYSA-N 444.517 0.831 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 747816674 ODTUELYXLKCZRW-UHFFFAOYSA-N 443.523 0.370 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(S(=O)(=O)CC)CC2)cc1 754670746 NWXKZKVVROXITL-UHFFFAOYSA-N 427.548 0.390 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)c(F)c2)c1=O 758049532 GJIUHOLJMYPNMB-UHFFFAOYSA-N 438.528 0.658 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 761023324 GPEJNFXWFRGALV-UHFFFAOYSA-N 428.536 0.257 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 762606062 RNQBLFPGVYBZMU-HNNXBMFYSA-N 431.474 0.454 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 763459239 ZPHADTQBROOEQR-UHFFFAOYSA-N 434.477 0.771 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CC2)c1=O 782677154 PTIIGMOIMBUINU-UHFFFAOYSA-N 448.346 0.866 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)CC2)c1C#N 788536758 NRNJDXXSQRATIO-DLBZAZTESA-N 426.502 0.953 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1 789788712 NUSOKZRUDFYFHT-UHFFFAOYSA-N 438.488 0.066 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 789958812 DZVUYMNMNGYYOG-JXLCAQNNSA-N 442.563 0.557 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794638479 FQEXSUJPQFGNGG-RDJZCZTQSA-N 442.541 0.661 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CCc1ccccc1 800682488 LOXYWNUZFPZTMD-MRXNPFEDSA-N 449.554 0.999 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 802556861 HSBKHTJCILOBID-UHFFFAOYSA-N 442.426 0.530 30 20 ICED NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804889384 AFARDEOEWNXEGT-OAHLLOKOSA-N 434.905 0.981 30 20 ICED N#Cc1nc(F)ccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 808344994 HIVBKWQZVXLHQU-UHFFFAOYSA-N 427.435 0.881 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 887546167 DRPXIUCPNPYEQK-OFQRWUPVSA-N 441.506 0.275 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCOCC1 915191365 GDCVBEHHYYAJKY-MRXNPFEDSA-N 436.534 0.601 30 20 ICED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 915785064 FHNHWNVZLMLOBP-UHFFFAOYSA-N 435.488 0.508 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 917118553 KBICJFNLNIZRLX-UHFFFAOYSA-N 427.486 0.054 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 918237995 YOVVIORDTPSRLT-UHFFFAOYSA-N 433.468 0.678 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919666302 KBKHHVMNEKSAHY-HIFRSBDPSA-N 435.458 0.095 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 920245110 MGGPVMADFRANSO-OAHLLOKOSA-N 436.515 0.715 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1286960413 NAQXGBSJUCGNRT-VXGBXAGGSA-N 425.481 0.978 30 20 ICED Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)no1 1318486140 FPXODSGZKIHJNW-KRWDZBQOSA-N 437.460 0.799 30 20 ICED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(C)(=O)=O 1359856245 XOXMKJICUBRUOA-HNNXBMFYSA-N 447.569 0.403 30 20 ICED CCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514261209 IVSRQUYULQCKSY-KNBMTAEXSA-N 436.582 0.908 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1541804459 WLWQRIJPDYADSY-UKRRQHHQSA-N 429.568 0.743 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1554505485 VZXUXTKKGTWHHT-HNNXBMFYSA-N 427.490 0.771 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1619567938 QNXKNIYSJVRMEN-LSDHHAIUSA-N 428.559 0.879 30 20 ICED CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)CNC(=O)c1ccc(C#N)cc1 1641546108 ZASVJIGIMNZIFH-UHFFFAOYSA-N 429.502 0.530 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C)COC1 1692536011 MSAFHTISISHPAJ-HNNXBMFYSA-N 439.524 0.830 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1711836594 QRNRXJOOHFRSQD-DOMZBBRYSA-N 438.485 0.813 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1750752524 XLARVHVESDECKD-QGZVFWFLSA-N 436.582 0.593 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1778115812 PQDHTKNMAVTQGD-FQEVSTJZSA-N 449.533 0.001 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCc5nc(N)n[nH]5)C4)C3)c2c1 1778854906 YCVOOOCMDDURIN-OAQYLSRUSA-N 449.475 0.211 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779101155 HZNIKNMVEBFSNO-DRDNUIKESA-N 442.476 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779333930 JPHKXVPKFDAWGZ-GSHUGGBRSA-N 446.504 0.875 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](O)N3CCOCC3)C2)cc1 1779416099 RARBMQBICDTUKJ-WTIAFYNJSA-N 442.516 0.336 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1779949966 LZOXKJWEGDAQFL-QFIPXVFZSA-N 443.504 0.711 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)CC1 1781169887 CJNNPPMJVMNNBQ-NRFANRHFSA-N 435.525 0.316 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)ccc1F 1781300517 XJFACPHVHURKEV-AOMKIAJQSA-N 428.464 0.596 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301106 NWHQYVZKFDTTKW-OAQYLSRUSA-N 447.536 0.554 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814426 SQGBZHPXWGUCCK-MYRHLRDYSA-N 449.460 0.776 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1783530796 FQKKSFNWMZSVAN-GFXHUTCISA-N 438.488 0.181 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cncc(C(F)(F)F)c1)CCO2 1783567210 JBVUPKVRSWWWQW-LJQANCHMSA-N 439.390 0.951 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1783680964 SIIGGQBBNPSQSL-HPZZRFSDSA-N 443.504 0.522 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783973645 ZCFYSMSHZLNKNQ-BFBBCPQRSA-N 429.539 0.459 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784010550 JKXAOPHPYIKYDF-GOTSBHOMSA-N 449.548 0.992 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)c1=O 1784731873 KBFXGMAYVHDLDS-ITCCNVGOSA-N 446.504 0.508 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1C#N 1785196254 QEAQDYQZWJRDAT-OAQYLSRUSA-N 439.476 0.476 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787083102 ZRKFJIVOQDHINV-BQFCYCMXSA-N 447.488 0.499 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125604 UBCFETZBZGCCBG-ATIWLJMLSA-N 437.537 0.913 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789142398 OQFZNLRNXDMNBN-IEZWGBDMSA-N 439.520 0.604 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5c[nH]c(=O)cn5)[C@H]4C3)c2c1 1789295632 OZQVCDIWOYGSOV-YEWWUXTCSA-N 447.455 0.425 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1791258836 AARYIOIXDXPEDE-CSFVBSKPSA-N 441.575 0.538 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC)c1ccccc1 1792800411 HOUYCESKXRYSRG-XIKSMUEASA-N 443.500 0.712 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794207491 LYUTVGJCVPHVNM-PZDQEJHOSA-N 433.509 0.638 30 20 ICED COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1794373414 PTDDBSZXUVOHDF-XOIINTDNSA-N 447.455 0.750 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n(C)n1 1794747428 DYKPNMZHEXHVHB-CCWDJLKJSA-N 433.472 0.994 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(C#N)c3)C4)CC2)CC1 1799193670 NGFDHZQPBGWOIE-WKCHPHFGSA-N 437.544 0.541 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748686 PDMHAGSXGRBFJM-QWUQOBSTSA-N 433.436 0.516 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1803555588 XTSRKZNQVZKLKX-LQWHRVPQSA-N 431.537 0.663 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804118220 MJDSUYWUHWEFCQ-SYNHAJSKSA-N 425.489 0.734 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1807142848 HEQJMJWBEJAPAV-BJLQDIEVSA-N 440.548 0.895 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nn[nH]c2C(F)(F)F)[C@H]1c1cccnc1 1811563527 QHQRLFPVKFOMIV-IAQYHMDHSA-N 436.350 0.626 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)CCC1 1814049760 HPKQFGYNSLNEEB-NVXWUHKLSA-N 435.421 0.506 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 1825077907 ZLSFWHPMFPLINK-DOTOQJQBSA-N 426.477 0.718 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828328947 CJFKNCSCMVDZDT-GFCCVEGCSA-N 428.474 0.674 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829353016 NQRCHLWZCHYZGR-JOCHJYFZSA-N 442.520 0.498 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830744157 RVBFZNRHGHDULB-IIBYNOLFSA-N 438.525 0.907 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1831401493 ATGHKPLXHXYVHW-UZUQRXQVSA-N 443.500 0.753 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487450 DZWZJYLTPKDEKC-PMACEKPBSA-N 439.597 0.466 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833147226 XAQYQRLILYQXTM-BBRMVZONSA-N 448.593 0.910 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(-c5ccccn5)nc4)CCO3)C2)CC1 1833292091 SWXRIISAIRGEHI-QHCPKHFHSA-N 448.483 0.912 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833482014 XQDYHOAFAZMBAV-OAHLLOKOSA-N 426.583 0.788 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256860 VZRQQCATHGQDFJ-CCYCTLHUSA-N 438.506 0.742 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cn1)CCO2 1834378836 JLPPUXXWDCTHBT-QFIPXVFZSA-N 431.489 0.969 30 20 ICED N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccnc1 1835828928 OGANRHHICQWOEN-RCZVLFRGSA-N 448.523 0.980 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835914669 UUOMFLDXSQYAGZ-DENIHFKCSA-N 432.496 0.694 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837078663 ITIMACXIQWOEOM-CVDCTZTESA-N 442.516 0.977 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1837184729 VNLTVRBSSKGFGN-IBGZPJMESA-N 447.289 0.800 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837402487 BQYJAPOEVMQNBE-HTAPYJJXSA-N 448.520 0.309 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465496 BHHDMLJVDOQPSM-NRFANRHFSA-N 440.610 0.919 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837532747 FMFRRDJVIZOOAM-HFSPCEDCSA-N 440.541 0.312 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837562431 KRJGPXHIEHAFJU-LWOHLBADSA-N 444.444 0.275 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837890517 KQTYYSSBWXPFRA-RMUOZIPVSA-N 448.907 0.663 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838671477 KPELWFSVTRZBKB-VGSWGCGISA-N 433.505 0.739 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)c1 1838740886 YZGPRHUSHXHZRE-NRFANRHFSA-N 435.444 0.541 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1838829895 XRGZANKMGZHYII-KKSFZXQISA-N 434.493 0.536 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)c1ccccc1 1839194682 KEANCGWXCPDMBO-QPPBQGQZSA-N 444.528 0.649 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839226553 AIWPGZLJONSQRT-IIBYNOLFSA-N 434.493 0.967 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1)C(F)(F)F 1839892308 GJHGSGRHKNWRTP-GOSISDBHSA-N 439.394 0.918 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1840042979 ZSCVIIQSDGVGDP-XMSQKQJNSA-N 441.440 0.048 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C(=O)N(C)C)c3)CCO2)C1 1840789483 KRSUDTVRCDAOCT-YCRPNKLZSA-N 435.546 0.777 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)CCC1 1840813976 INYBUBPIRGJJMY-QHCPKHFHSA-N 438.484 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840823562 XQDIESHLVMWCKX-WFRZBGSESA-N 427.448 0.347 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841745441 CGMMTZWZRRREEB-AWEZNQCLSA-N 449.508 0.211 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)c1ccc(O)cc1 1841892793 TYSXEECOMXWWDF-QGZVFWFLSA-N 438.484 0.644 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccn2)C1 1845768747 IAXFBBYVQAFMCK-QWGSZXSUSA-N 425.489 0.262 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847473929 FBTPMWOTDVIBLE-OALUTQOASA-N 449.960 0.624 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O 10855021 MSTYEACEBHALRS-UHFFFAOYSA-N 434.250 0.419 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)c1 29446033 SNPDPYARNXMHKV-MOPGFXCFSA-N 447.561 0.270 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCCNC(=O)c2ccc(Br)cc2)CCO1 410108582 XDCNZQSYUFKBPL-CQSZACIVSA-N 431.312 0.628 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 430066593 RFKSLKKOKYCFNI-OAHLLOKOSA-N 446.475 0.617 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 430556967 LVDKMADHGANGAA-PXCRPINLSA-N 434.581 0.923 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)c1c(F)cccc1F 440698115 XOBKTTOFWFMMDT-HNNXBMFYSA-N 426.383 1.514 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 446765863 GBUQUIZIZNHFCI-UHFFFAOYSA-N 431.474 0.031 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nn(CC)c3ccccc23)c1=O 471964695 OZHUGKAYROVXHH-UHFFFAOYSA-N 437.525 0.731 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 475498947 ZHIYBXANBKLXAD-RTBURBONSA-N 448.545 0.654 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)n2)c1=O 476999849 HWJMATOGGZRKPX-UHFFFAOYSA-N 442.541 0.865 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1cnn(CC)c1 478847779 JRMNXJJWOHQGPA-UHFFFAOYSA-N 437.529 0.698 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c1=O)OCO2 478863687 YISQSIOAQAMVQH-LBPRGKRZSA-N 428.466 0.683 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1Cc1ccon1 480937955 QCUMJOFYQDDMCU-UHFFFAOYSA-N 438.509 0.829 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 503431001 DCYDBDRNHOSJJB-IBGZPJMESA-N 435.569 0.398 30 20 ICED Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc21 504076779 PVLGNHDJPAAWPZ-AWEZNQCLSA-N 426.477 0.557 30 20 ICED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 507127212 OFUZFENOCHJFPI-HXUWFJFHSA-N 436.516 0.875 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 507502331 IXZZMYTVQVDTSZ-UHFFFAOYSA-N 428.442 0.927 30 20 ICED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 508479856 BYMCPCQAOMXCJI-UHFFFAOYSA-N 443.533 0.943 30 20 ICED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508801632 MJIVUSRUMHVQFV-UHFFFAOYSA-N 443.533 0.383 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 514966115 OTSIUBUAAXDCIQ-ICSRJNTNSA-N 447.967 0.648 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 523001427 MDMWCHTUZLFVGF-UHFFFAOYSA-N 448.501 0.241 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(=O)OC)cc3)C[C@H]2C)C1=O 523413205 OMUPSGFBNSHLQY-CQSZACIVSA-N 428.445 0.487 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)cc2OC)c1=O 523744435 MVXGVGCWWLSFEI-UHFFFAOYSA-N 445.541 0.991 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)[C@H]3CCOC3)nnc12 524247564 ZLKQXKMQYNGDFO-BBRMVZONSA-N 429.502 0.836 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 524281356 RXTOAKPOFPSLOR-UHFFFAOYSA-N 436.896 0.463 30 20 ICED CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)CC1 524803843 JEUJFIDTTSPEPZ-GOSISDBHSA-N 442.472 0.791 30 20 ICED Cc1cc(=NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)[nH]n1CCC#N 526104930 ZGWNWOVJKZUWMR-UHFFFAOYSA-N 447.503 0.335 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 535265406 WXBHTJZOJSXPFZ-CYBMUJFWSA-N 428.536 0.155 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541145492 YGMQNHYLHGMJQD-UHFFFAOYSA-N 443.895 0.744 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3C(=O)CCC3=O)n2)c(Cl)c1 543002584 HLAJGUUWSAXHFU-UHFFFAOYSA-N 428.836 0.991 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)c1 550776991 ZGWNIQZMDCVQGJ-NRFANRHFSA-N 448.527 0.792 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2)nc1 552925081 VSIGOYLTRQOZNW-UHFFFAOYSA-N 438.463 0.216 30 20 ICED CN(CC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 553151713 OBCJGEYWMINCSI-INIZCTEOSA-N 427.548 0.995 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561430841 KDOLFQCNXFAFHJ-CQSZACIVSA-N 442.501 0.068 30 20 ICED CN1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)CC1 565736152 DYKHXOWMYFHBPQ-SFTDATJTSA-N 437.544 0.966 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1 566395639 WWGZSVGGEACORH-IBGZPJMESA-N 442.495 0.211 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 572196002 DPIOFOAEKSQWQZ-LPHOPBHVSA-N 432.484 0.912 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 578554527 ROVDNLJRSVYVHT-MRXNPFEDSA-N 440.570 0.623 30 20 ICED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 581621791 HCOIIZZQRQFWFQ-KRWDZBQOSA-N 436.516 0.592 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)on1 587647912 OQOWEMIQAMKARF-UHFFFAOYSA-N 437.504 0.679 30 20 ICED N#CCN1CCC(NC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CC1 609945226 WZPNDIYAHHCKLW-UHFFFAOYSA-N 439.925 0.923 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 727008156 LWIUSUBJDPCFID-UHFFFAOYSA-N 426.404 0.879 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 728534218 YIAMNGWKYNMFLV-HNNXBMFYSA-N 447.333 0.696 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)NS(C)(=O)=O 731651279 AQXRMQRWEHRJGW-AWEZNQCLSA-N 444.579 0.728 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cccc(Cl)c3)CC2)c1=O 732462910 IFVZRBSJHJPEAN-UHFFFAOYSA-N 431.924 0.972 30 20 ICED CN(CC(=O)OCC(=O)NCc1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738676864 GNCJYUQHSZVSBU-UHFFFAOYSA-N 446.441 0.947 30 20 ICED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 739157900 YZXNZRIVOUDGHC-ZDUSSCGKSA-N 449.423 0.673 30 20 ICED Cn1ccc(N2CCC[C@@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 741824559 DTAZNSPFXXBRFI-CQSZACIVSA-N 431.474 0.588 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1 743943961 GVUVDHHIKPENBL-UHFFFAOYSA-N 432.458 0.874 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(CO)cc2)CC1 748736028 UVRGMTPPFCXBHT-UHFFFAOYSA-N 443.481 0.740 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 749708331 XMERUTIGLCJBOQ-QGZVFWFLSA-N 430.505 0.323 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 758643166 HCVKNLYYVWFNAF-DOMZBBRYSA-N 444.535 0.632 30 20 ICED N#CCOc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 760362259 KGQNMUHGHUZENF-UHFFFAOYSA-N 443.529 0.795 30 20 ICED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 766566986 UBWMYGRVYAGMST-XTZAVPODSA-N 438.506 0.046 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 769020319 CCPOXIXFKLMIFK-QFIPXVFZSA-N 431.537 0.161 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)cn1 772331749 QUNVWUJTQDYELC-INIZCTEOSA-N 425.514 0.558 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 782987055 IJKWKZRSMBZHLO-UHFFFAOYSA-N 448.491 0.539 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 796180335 OMPULKUGORAMKA-UHFFFAOYSA-N 432.495 0.969 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC2)c1C#N 805737423 KLTWBOINFSSXJI-CQSZACIVSA-N 447.540 0.526 30 20 ICED CS(=O)(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 809393038 PGXJUXXDJREFOL-PFONDFGASA-N 433.895 0.548 30 20 ICED C#CCCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 810782920 WZAAYDYCJGRQOW-ZDUSSCGKSA-N 426.472 0.093 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOC 812274572 GZYGDUPOPFVUMG-UHFFFAOYSA-N 439.488 0.647 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CCC1 814253756 LASLQAMQEKJNNR-UHFFFAOYSA-N 429.546 0.852 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 919547795 AXJNIVYLOHZHNY-GUYCJALGSA-N 445.501 0.907 30 20 ICED N#Cc1ccc(NCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 919627774 GPDZTXSUSFEFIP-ROUUACIJSA-N 435.502 0.708 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 919638193 WYCQRVMHUWITDM-NRFANRHFSA-N 430.505 0.737 30 20 ICED COc1ccc(CC(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1251694090 NOJHGTNKLXZWSG-UHFFFAOYSA-N 436.534 0.363 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1519620325 PYHXMOHOTRAAFP-OAHLLOKOSA-N 440.913 0.788 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC2(O)CCOCC2)cc1 1521095500 LCUUIWSWUNLRLZ-UHFFFAOYSA-N 431.518 0.983 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1541116083 JIXFDZAJEOHOBP-IKGGRYGDSA-N 439.586 0.691 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1691237633 WUEGKJUGQILHON-BFUOFWGJSA-N 449.487 0.965 30 20 ICED CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOC1 1729941949 OWOGIRCJAOEVPX-RDTXWAMCSA-N 426.543 0.824 30 20 ICED CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1761260163 OZKCWZSYOAVLQE-UHFFFAOYSA-N 432.492 0.853 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1761502372 YRWPGHYLCQCCOP-QWRGUYRKSA-N 430.441 0.257 30 20 ICED CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1761567100 MUCGJRUAPULVNJ-DNVCBOLYSA-N 440.545 0.733 30 20 ICED COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1769248064 RBCOOGUIHMDWDT-KBPBESRZSA-N 425.449 0.984 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1778118701 WWJGZSYHNACQJV-HXUWFJFHSA-N 438.550 0.182 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CC1 1778848270 YUETVYOYQVXLDG-GRCSCBDFSA-N 448.612 0.219 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1)n1ccnn1 1779363536 CFNBNWRVKRARPT-DACJCMDESA-N 431.541 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)CCC)C1 1779513052 LFHINVWRJVFIMP-WJGWRPCBSA-N 448.564 0.664 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779872668 CCRCNLSLLAIPIY-JOCHJYFZSA-N 434.456 0.133 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780173508 OHJCPOSLWUONJQ-RAUXZBOGSA-N 425.489 0.872 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1781271222 GAJIMEJOZBKHQT-NRFANRHFSA-N 445.451 0.821 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2 1782009749 XMFCCLLYCOHHPI-JDKSZYQJSA-N 440.496 0.884 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccccc3OC)C2)C1 1783324638 HFDCKRNIQAAZAI-AXKGWLQCSA-N 427.501 0.926 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783491808 OEEQEALLVIYRNE-PNLZDCPESA-N 435.521 0.912 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)cc1 1783604180 FKBZTJKJAGNOEF-UFYCRDLUSA-N 435.484 0.337 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1784478247 WVGMGLALZKBRQW-BOSXTWCSSA-N 425.489 0.449 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859991 ORBOBKHULCGVMG-QAETUUGQSA-N 438.525 0.810 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789224338 YCEHGOPBHCZKEA-IEZWGBDMSA-N 429.521 0.260 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1792145543 OHDHNKSAXBXCES-JPLJXNOCSA-N 440.500 0.443 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1792148319 DTZNHFAFKSFSMF-HYJFEMIMSA-N 440.500 0.443 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837437 SAQFSCILHQJRKI-KFVVBQDRSA-N 448.903 0.897 30 20 ICED CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1F 1794513168 KFGNYLZYIOYCBM-YVOPZRTBSA-N 437.472 0.843 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1797783438 QXAVOHCEPFLTPI-HGKCTWBKSA-N 437.500 0.860 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1797783564 YJILFNICWIDUDI-OPMZPASUSA-N 427.501 0.137 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801161158 UIDQAQBZXTVPHP-JAAXMTQOSA-N 441.550 0.820 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801976954 VKVGORPQOZCABM-JLVBRIDZSA-N 446.529 0.523 30 20 ICED 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)[nH]1)C2 1802124470 BRFBOVJLDOFQNU-DFGXFYAUSA-N 445.520 0.838 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@H]1c1cccnc1 1802500178 XGZNRYYQIAUTSX-UNGYTHKISA-N 437.504 0.799 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1807044102 STIZLWYZDGAVQQ-SXWKCWPCSA-N 448.527 0.795 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc3ccc(F)cn3n2)[C@H]1c1cccnc1 1812291489 DMFKKVNAZDIRTE-AUUYWEPGSA-N 436.403 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1823748698 YNOPFPRIADOZIK-MJRGOJFPSA-N 427.505 0.862 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1826017470 IWWGBDXCXFOOQQ-QWRGUYRKSA-N 432.593 0.799 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1(O)CCC1 1829740191 KLVNTYXENOQPKH-XXBNENTESA-N 448.560 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1829770325 JFKNBIKHSIELJU-YOXWTLATSA-N 448.907 0.663 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)cc1 1829812192 FXWNMJCDJXUBHD-FYYLOGMGSA-N 439.468 0.884 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)cc1 1829907193 ACFSZYUYNKRIOR-DEOSSOPVSA-N 449.511 0.980 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)cc1 1829907423 KRDUQIUOVVZILA-HSZRJFAPSA-N 436.468 0.972 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(c5ccccc5)=NO4)CCO3)C2)CC1 1831253766 CERUVGZKRYHJAV-XXBNENTESA-N 438.484 0.940 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831404518 PWAJAQBMKXMDRO-NQIIRXRSSA-N 425.526 0.340 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1831405757 JECVHGRUKFGAQI-KNQAVFIVSA-N 434.537 0.958 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)c1 1832207908 FKCMRVYQFSCTCJ-JOCHJYFZSA-N 449.471 0.401 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832664770 YZIBKPGBRQNWLA-NRFANRHFSA-N 434.445 0.428 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]c(C)c3F)CC2)CC1 1833073991 WYGSMHZLMUQPQD-PLNGDYQASA-N 446.527 0.901 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1833471089 OJIOHUAQWIFJKP-UHFFFAOYSA-N 443.610 0.976 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834299956 PNSDKVCGDXXRQP-QFIPXVFZSA-N 437.456 0.497 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835045953 WKDBOCGIPKRUIM-KRWDZBQOSA-N 437.541 0.357 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835054221 NTGVOSGOVXGHAX-LJQANCHMSA-N 437.585 0.988 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1835411623 IANXDEARBBHGMG-QFIPXVFZSA-N 444.463 0.390 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506323 ZFYBKBGPTRMLSA-PXNSSMCTSA-N 438.475 0.619 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811493 SBPMSXDFRURHRI-VGOFRKELSA-N 443.504 0.601 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836866546 VGXJYGPXIYFZOR-PBHICJAKSA-N 436.509 0.174 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837293291 UPHHTJISHOEPRK-RTWAWAEBSA-N 428.445 0.481 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837307977 KIGGWYRDKNHGSD-OPAMFIHVSA-N 443.504 0.414 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1837384609 CMLSSOIVCRHZIP-KDOFPFPSSA-N 432.468 0.362 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cnn1C 1837561513 QCXTXDSRHYWBDR-LWOHLBADSA-N 429.477 0.511 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(C)C)CCO2 1837601914 HIZSFFRHHAUUJD-DYESRHJHSA-N 426.510 0.766 30 20 ICED O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)=NN1 1838379474 SBBSPOVKGXXHPT-YRXLECQKSA-N 449.508 0.390 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838589350 NXUFBIKBDSMWIQ-QMHKHESXSA-N 441.484 0.889 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1Cl 1838596328 WSZPETKRCHQEIZ-LAUBAEHRSA-N 430.892 0.810 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 1838604018 FTNBDYLFCBSNNM-NRFANRHFSA-N 447.444 0.792 30 20 ICED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735916 BEWVNOCQAWOXAJ-VLIAUNLRSA-N 444.517 0.913 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1838906862 JXRFWPBYBAVXIY-HXUWFJFHSA-N 440.416 0.573 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839174146 IVKKEFKBWRKRBM-NRFANRHFSA-N 434.493 0.308 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839228830 QFVPJIMXCJLEOV-NTLWEQJWSA-N 425.526 0.795 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cncn1 1839364227 UCPNKMHDVQXWPK-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OCC)c3O)CCO2)C1 1839425689 ZROWTONCNDEXDZ-GAJHUEQPSA-N 446.500 0.899 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1839685188 JEWDJGRKOFMUFB-GQIGUUNPSA-N 443.497 0.805 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839807386 XCGKZNNEIRLFBL-HYFFOGBASA-N 433.505 0.545 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839882746 WEYXAQSYEXWJQY-QFIPXVFZSA-N 447.919 0.674 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1839890214 NUHBAVDMYNMEAC-KRWDZBQOSA-N 434.509 0.138 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1840042033 WVELEZWZPJDCPC-FQEVSTJZSA-N 446.847 0.146 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccs4)on3)C2)C1 1840042415 UMZCLPBNNYOUAP-FQEVSTJZSA-N 445.453 0.561 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104598 XKPHBQLFRGGTJM-FQEVSTJZSA-N 425.551 0.375 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840193830 YNRZTDQBXHOSBZ-HXUWFJFHSA-N 433.486 0.446 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1)C(F)(F)F 1840458854 CYVACDJIXHFOBI-GOSISDBHSA-N 428.411 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840584748 WDXHEKAYMULIMQ-CUEYOVFCSA-N 435.521 0.118 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840814407 HWEBIFKNXWGJFG-JOCHJYFZSA-N 427.505 0.911 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)CCC1 1840816373 PIPRBHIWUYYHHA-CVDCTZTESA-N 427.501 0.740 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1840843241 CRJATLZHGANWSS-HSZRJFAPSA-N 425.485 0.979 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840854482 CMHBTFUDCNPDDW-DYESRHJHSA-N 431.493 0.261 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1846995591 ALUPQHRKKIQSLT-MRXNPFEDSA-N 448.568 0.760 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](NC)C(=O)O 1847939574 IKZVMMLFTXVJPB-UGUYLWEFSA-N 438.525 0.720 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 410115149 JMXGBZNOQLISAW-MRXNPFEDSA-N 425.530 0.899 30 20 ICED Cn1cc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 426873549 FRFWVSQDJQYIMY-QGZVFWFLSA-N 435.444 0.372 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 440284056 MNSCXOSDLKVYRT-UHFFFAOYSA-N 427.484 0.917 30 20 ICED CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCn1c(=O)c(C#N)cn(CC)c1=O 440574913 MAHFOTMCSPYPRH-UHFFFAOYSA-N 439.515 0.559 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442014030 LAGYESGWTHZMFI-MRXNPFEDSA-N 434.412 0.755 30 20 ICED CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 447193251 OOBXPMLJECWAKI-UHFFFAOYSA-N 428.536 0.478 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)nc1 474352766 GFWRVGUFYPTORI-UHFFFAOYSA-N 425.558 0.908 30 20 ICED COc1cccc(C(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480453909 NFTFTFDEQNSQKO-AWEZNQCLSA-N 430.486 0.780 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482157299 ODWVWAYOWIRUDW-KRWDZBQOSA-N 449.577 0.628 30 20 ICED C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 499490832 FXHLQSNKWNFRBP-YOEHRIQHSA-N 428.536 0.688 30 20 ICED C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCCC1 501580648 PEAFZNDQLBGOGB-QGZVFWFLSA-N 447.561 0.382 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(C)c2)c1=O 501767852 YZMIROVWDPOBNI-UHFFFAOYSA-N 425.510 0.953 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 506710075 IIGIJGALFIOGMD-WFASDCNBSA-N 448.480 0.656 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)CC1 512261247 OKBRAZGDVOXRTO-AWEZNQCLSA-N 448.505 0.208 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 513052748 SXOYOVRNVQRCLK-UHFFFAOYSA-N 425.558 0.847 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@H](O)C3)CC2)c1 514884736 PVRXERTUUPZYMM-NRFANRHFSA-N 448.527 0.485 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOCC 523734057 ZZKCVFOFZLBHBJ-UHFFFAOYSA-N 436.515 0.945 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c1 524281197 LMTIWQIWIGKNPD-UHFFFAOYSA-N 429.498 0.148 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 526038279 IICWSXYIBFDIGU-UHFFFAOYSA-N 436.497 0.314 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 537033569 QBJVWVVCJQHMGC-RTBURBONSA-N 435.569 0.412 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 541156346 PSECLIWZPQLXII-UHFFFAOYSA-N 427.440 0.148 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(CCO)CC3)c2)c1 542600517 JOCGLOIEOWHOBH-UHFFFAOYSA-N 435.480 0.948 30 20 ICED COCCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543885865 ZGRAHDUSXZKQOM-UHFFFAOYSA-N 429.456 0.795 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697805 YWRVRDREWQQACP-UHFFFAOYSA-N 440.507 0.169 30 20 ICED CC(C)(C)[C@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 562288383 HJPQOBZEZUYLRU-KRWDZBQOSA-N 447.517 0.358 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1=O 591174796 YTNZAELCHCAMPA-UHFFFAOYSA-N 440.460 0.353 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 609957774 RCSFFVRHVBNTHT-UHFFFAOYSA-N 434.449 0.565 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1F 618433530 HAPAEJATKYRPPU-UHFFFAOYSA-N 431.489 0.874 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)CC1 728573226 VDGBBDPDIPFPFX-UHFFFAOYSA-N 443.523 0.044 30 20 ICED Cc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N1CCOCC1 732154380 UXHSQOJAQNGYSU-CZIZESTLSA-N 448.501 0.272 30 20 ICED COCCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735590178 OSYSHWLRZXLWOE-OQKWZONESA-N 439.538 0.132 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2cnccn2)c1 737237238 KCSFAYLPTBAFPR-UQQQWYQISA-N 445.505 0.456 30 20 ICED CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737306184 MMZDUKLFNRRNJN-KEZACMBGSA-N 426.429 0.844 30 20 ICED C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 739744315 GACQAGOTCHLPFO-CQSZACIVSA-N 427.548 0.931 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 747738121 QTIOIIOHPGKRIG-UHFFFAOYSA-N 425.532 0.371 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 751368293 AMCLTGYIVDNNMV-UHFFFAOYSA-N 428.426 0.244 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 757156625 SANFNWLMLPYPMV-SCLBCKFNSA-N 436.451 0.645 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 760836691 IZRFXJGHAHMDLE-CHWSQXEVSA-N 446.489 0.355 30 20 ICED COC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 766833635 JYUKERDTUQFLOQ-UHFFFAOYSA-N 428.401 0.951 30 20 ICED CN(CCC#N)C(=O)CCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 771448876 WFXMNILPPYOIGP-UHFFFAOYSA-N 443.570 0.315 30 20 ICED C[C@H](NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 783397903 VGGPINWKAFDMKG-AWEZNQCLSA-N 440.431 0.964 30 20 ICED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785211255 VVPPVWLPCIMOJM-GHOZOMOVSA-N 437.522 0.278 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(C#N)[nH]1 786092668 QAGLUZFQOKOLOJ-UHFFFAOYSA-N 448.457 0.711 30 20 ICED C=CCc1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc(OC)c1OC 805822561 SYNJTCWOKWTTBK-UHFFFAOYSA-N 433.505 0.822 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@@H]1CCCO1 809313014 RCWXJMRJWILPNJ-CTNGQTDRSA-N 438.528 0.407 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 810774584 OCFWVLWEFRXWHG-UHFFFAOYSA-N 444.531 0.574 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 901211479 DJARCOONJPVBCW-SPLOXXLWSA-N 430.461 0.873 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn(C)c3)c2=O)CC1 920399686 VHXYKCYDOVUPFV-UHFFFAOYSA-N 440.573 0.472 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2=O)cc1 1116029944 CGEGGIVFOPSQMO-FUHWJXTLSA-N 434.518 0.516 30 20 ICED Cc1nc(N2CCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1164292213 VKUZTPOJUAWUOZ-INIZCTEOSA-N 445.549 0.915 30 20 ICED Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1314897637 WQUXRZNBBFGMOZ-UHFFFAOYSA-N 433.538 0.748 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1316359828 LDWUWWQUDBDZDQ-UHFFFAOYSA-N 439.492 0.753 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1518644708 NJQOYWVTCIKSFC-QZTJIDSGSA-N 448.549 0.854 30 20 ICED COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1619925926 SREIZPNPRYWHSF-QAPCUYQASA-N 437.501 0.513 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1730759917 NKRFPZLSKZQJFF-HNNXBMFYSA-N 426.543 0.608 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1768453192 VRDVLDVBNSWWFM-OAHLLOKOSA-N 447.521 0.012 30 20 ICED CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1770310764 WMVILEVTBVRRQI-UHFFFAOYSA-N 444.517 0.632 30 20 ICED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c2c1CCC2 1777962996 ANFVJTIQQMQDQI-ASPARNDVSA-N 445.520 0.881 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779056339 FMIIKWRVHGZDQX-FDDCHVKYSA-N 441.532 0.806 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779063553 WJTZGXOFKWXBPO-HSZRJFAPSA-N 437.500 0.871 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1781044259 ZVPIHWITPWQDAK-SEDAZVQISA-N 425.529 0.736 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1C#N 1781050997 JALUBGPURMBHGD-YDHSSHFGSA-N 442.516 0.512 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400398 QAJZPLPKTCSTJA-GHTZIAJQSA-N 443.541 0.687 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1[C@H]2COC[C@H]21 1782801675 RAUZJUNEJSZPOL-VRWFYUBESA-N 435.521 0.922 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1783195681 ZPSSBLVBNFBMPW-IFXJQAMLSA-N 447.479 0.913 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783929362 LZJCWYIRVCHBFA-FCHUYYIVSA-N 429.473 0.812 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C=CCN4)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784089217 AHKHHMTTZXPLBY-BSRJHKFKSA-N 446.548 0.910 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784520814 UVYFGKNHYVGRSE-QAETUUGQSA-N 444.550 0.156 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1785346552 BXNGWGAIZODDIQ-OAQYLSRUSA-N 435.525 0.283 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1785572285 KGGYFQKNBDKUOR-VGOFRKELSA-N 443.504 0.837 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1785576078 GOCRUOFUSDVLIL-VGSWGCGISA-N 434.537 0.295 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1786859121 MGUOUBLIQGJBAI-BZSNNMDCSA-N 439.520 0.604 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)C[C@@H]21)C(=O)O 1786900046 SHQZPBZKZNUOFM-HVRBKMHZSA-N 442.516 0.970 30 20 ICED COC[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 1787468309 PNZVPJCTTLJXHP-OKYOBFRVSA-N 449.548 0.919 30 20 ICED CN1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652622 JRCNWANHBBYJIW-AWLOKGQFSA-N 436.553 0.979 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788771061 JYWDYLPTUWFZFT-BURNTYAHSA-N 442.516 0.232 30 20 ICED CN(C)c1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791077937 NFGBHPWSIGGUCM-IHPCNDPISA-N 427.501 0.753 30 20 ICED O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791709282 DDBXYICJNXYQHK-MTQUCUCJSA-N 446.504 0.838 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)CCC1 1792138270 GIPFDJUZVLEJDH-ULQDDVLXSA-N 438.550 0.086 30 20 ICED 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)n1)C2 1793593749 UXOXAETXPPAXGT-QKPAOTATSA-N 448.524 0.488 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793823067 NNMQXWIJMNTOKS-OCVGTWLNSA-N 429.539 0.338 30 20 ICED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994879 JGPQPJLAZTWSFQ-GNXNZQSNSA-N 439.394 0.263 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2nonc2c1 1796884676 PAPNTTAIXHEHFD-COHUGYILSA-N 426.477 0.898 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)c(C#N)c1 1798384500 KYOULENKVHLMBS-CWPLJXCYSA-N 437.456 0.508 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c(OC)c1 1798947967 HJZWCRGFMWQDQD-IBRLJDPESA-N 429.473 0.462 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c(Cl)c1 1799752120 ZVJLONIPMQRRRG-IVWMJMPLSA-N 427.848 0.812 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)CC1 1800029666 OYJWZZITWVRAQP-YVSFHVDLSA-N 448.568 0.451 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)cc1Cl)C2 1800778554 HRXKIWDXNHFOCE-VTEUUUEMSA-N 442.859 0.817 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807115773 KZVQWHSXFUQKSS-AOIWGVFYSA-N 428.537 0.500 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695233 JREXQKUGYIPQKK-XWUOBKMESA-N 440.544 0.509 30 20 ICED COCCn1nccc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808639004 IIRSDTLWDLEKKU-OXQOHEQNSA-N 425.445 0.332 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@H]1c1cccnc1 1810522766 TYKDBFWDZUHLDL-AWLYRJFCSA-N 439.516 0.637 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1820894690 QRTNHOICQQMKCC-DZGCQCFKSA-N 434.497 0.504 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1829778150 NPEFUDASRGUIEE-QVKFZJNVSA-N 436.509 0.033 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cnn1C 1829900528 HBQOSEYXRZNKMW-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063123 JNLZYIHXRFQJER-GAJHUEQPSA-N 442.516 0.811 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1831410612 DYDKFCKEUNUCIY-AUSIDOKSSA-N 447.532 0.849 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831419632 PJMIIIHOZNLVLC-VGOFRKELSA-N 433.505 0.680 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1831433128 QOPUQMCCHUBXKO-IIBYNOLFSA-N 435.525 0.694 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCSC)CC2)CC1 1833469409 UPBHGNWLMSRZAY-VQIMIIECSA-N 425.595 0.710 30 20 ICED COc1cc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1833741634 ZBIIKPYFTSYWHS-UHFFFAOYSA-N 442.516 0.682 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834633755 VFXMYAOTBCLWTN-OMNSNBSWSA-N 437.541 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835705476 HYLZIFFICCNDNJ-UGKGYDQZSA-N 446.504 0.047 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835752483 RBEOZOJNRIKZAK-KKSFZXQISA-N 425.526 0.498 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835849233 LHSQARYOAVGOEX-JOCHJYFZSA-N 439.472 0.690 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836014214 PTDHABRLZVASEN-VCOZGABYSA-N 431.537 0.875 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836081584 NXSHYSFFXNWZKR-IFXJQAMLSA-N 439.538 0.646 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836212214 ACXPMPTYAOGUJZ-HXUWFJFHSA-N 428.424 0.059 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1836858905 CMNVZWITMRBDOO-IAGOWNOFSA-N 436.553 0.731 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837011957 XQLRLKOGKUJSQM-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193431 KXJXOHVMNYIDPS-YCRPNKLZSA-N 427.461 0.066 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837432894 SHRLANVVJATXHB-NRFANRHFSA-N 434.565 0.582 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837497512 VZOVTVOVMQGLKM-DEOSSOPVSA-N 447.576 0.627 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837559917 KADGZPKYILUBQA-MHRHTVJOSA-N 434.493 0.023 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2)C(F)(F)F 1837648238 DTMDWDJNSOSLDQ-CXAGYDPISA-N 431.415 0.489 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1838908736 PKPJVYBWMWJMRW-FQEVSTJZSA-N 433.486 0.446 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n(C)n1 1838950501 LWOAKTZLODQNDS-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)C1 1839047232 GDLAZQIXKJDOFX-QFIPXVFZSA-N 425.489 0.694 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1839174162 JOCIKTXLEOZISK-IBGZPJMESA-N 441.868 0.907 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)ccc1F 1839186840 RASLMHSRBPXLKH-QFIPXVFZSA-N 439.447 0.800 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839212657 GDRPDRUNZSTGNT-CVDCTZTESA-N 440.500 0.178 30 20 ICED COc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1839400271 WCVXHOLOPUTJFR-QFIPXVFZSA-N 446.456 0.170 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1C 1839404439 WUAMHAZLRUKOJM-QFIPXVFZSA-N 443.456 0.111 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485983 GMZPTZSWPOEAFF-NYHFZMIOSA-N 441.488 0.787 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839581382 KPNZSWYATAOIGP-NRFANRHFSA-N 434.562 0.898 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839907696 MGSMEKNRHOLUCU-HSZRJFAPSA-N 444.532 0.673 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004724 MRKXVBOOCGYIDA-CBNMVNINSA-N 438.546 0.705 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017934 MKVHCGCJVHXUJM-LGAWVEOZSA-N 445.541 0.671 30 20 ICED CC(C)[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840039698 DNNCNVQTWJVIIL-GMAHTHKFSA-N 428.485 0.971 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1840044421 XCXXGYZLLIZFKE-JOCHJYFZSA-N 428.441 0.170 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840173084 AYVAOCYHQZVZRW-JOCHJYFZSA-N 428.489 0.373 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840494242 UPNJIKMMTXQECU-JTSKRJEESA-N 448.520 0.718 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)ccc1Br 1842946960 OJMLSPVHXFWMCX-HNNXBMFYSA-N 448.321 0.731 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844794816 QEBZWBKWAZVEMQ-OAHLLOKOSA-N 431.493 0.979 30 20 ICED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022309 OYVXRZBBVBCRRO-LSHDLFTRSA-N 441.513 0.807 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1ccnn1)C2 1847071076 OFUGCJLNSJLIQM-CVEARBPZSA-N 430.509 0.959 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c(O)n1 1848127959 SZWXWNMRCVGFBV-PMPSAXMXSA-N 427.461 0.319 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 9082998 FJEGEOPGHHEBHS-UGSOOPFHSA-N 449.485 0.423 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 15545075 JXGWBDWUYCRDJR-UHFFFAOYSA-N 439.497 0.850 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)cc1 27945171 PLSCTCBYWJRBTK-UHFFFAOYSA-N 445.501 0.274 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(C(N)=O)c3)CC2)cc1 110462378 ZOEAHZCNWIEDLB-UHFFFAOYSA-N 441.513 0.916 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)cc1 433331670 OCZBJFXCGPJGBI-UHFFFAOYSA-N 445.563 0.275 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437039727 NPQJVBBNXHOTPU-QAPCUYQASA-N 437.518 0.743 30 20 ICED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n(-c2ccc(C#N)cc2)[nH]1 444051541 NKPGRJOBDFXYQI-UHFFFAOYSA-N 446.514 0.920 30 20 ICED Cc1c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(=O)n(-c2ccccc2)n1C 446528754 XFRQGWKRKLRGSI-UHFFFAOYSA-N 440.504 0.497 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 448261342 DUXUCIYBWHNUFD-OXJNMPFZSA-N 442.541 0.760 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 465054430 YDLXMJJXSHBKLZ-ZDUSSCGKSA-N 435.531 0.870 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465414254 GGHZRJZTISRNEO-CQSZACIVSA-N 425.449 0.444 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 466967962 UKCIIKHSACPTBF-UHFFFAOYSA-N 427.274 0.973 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCS(N)(=O)=O 506898400 UQVTUERUFAFJRB-CQSZACIVSA-N 428.492 0.429 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2 510483757 UYPGUURHSSWABU-OALUTQOASA-N 425.537 0.868 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CCO[C@H](C#N)C3)cc2)CC1 518514971 GXHZQBNLUICBNL-OAQYLSRUSA-N 429.521 0.706 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 531755267 XEDLNIKRWJFQAX-UHFFFAOYSA-N 440.481 0.956 30 20 ICED COc1ccc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C#N 533007065 AQKJFSBROQHNKR-UHFFFAOYSA-N 437.499 0.957 30 20 ICED C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 533387348 BDWLQJBOKLTEGF-KRWDZBQOSA-N 441.575 0.195 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 536346855 ZHCVOEXHWNUHKF-DBVUQKKJSA-N 442.541 0.977 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 538399440 BZLOGKSCFNVNBY-UHFFFAOYSA-N 434.499 0.352 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)s1 539114582 KPVDZVIQIZUECL-UHFFFAOYSA-N 434.609 0.744 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)CC2)cc1 541318724 LAGZUDOUZMWHCB-KRWDZBQOSA-N 440.547 0.541 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 541580374 GMPLOCJPWSWECT-AWEZNQCLSA-N 448.505 0.208 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 553555064 TVZVYZIFUVYZMA-QGZVFWFLSA-N 440.522 0.501 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O 573902212 PRZDPBSHVLXBKF-UHFFFAOYSA-N 447.879 0.089 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc2)ccn1 583842689 GBXNHTSXPYDRFA-QGZVFWFLSA-N 429.458 0.964 30 20 ICED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 584262942 ZQJQDWVPENQFPP-UHFFFAOYSA-N 425.449 0.173 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CC(N)=O)c1=O 609570929 ISDITOLYEMHEKG-UHFFFAOYSA-N 448.504 0.570 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)cc1 610151287 IUXCIXSUXAGDPE-UHFFFAOYSA-N 445.501 0.263 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 619683738 GTIRDLIMOTZXOB-UHFFFAOYSA-N 427.383 0.628 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 729007527 YVBPAJUMVPXIMF-UHFFFAOYSA-N 443.481 0.557 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729673207 IKRMXJURSHFSDA-UHFFFAOYSA-N 431.539 0.045 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CNC1=O 731008797 RZDDJAZHFFXGNF-CQSZACIVSA-N 435.506 0.198 30 20 ICED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 740875349 VEBNPUADNDDLTO-MRXNPFEDSA-N 443.547 0.080 30 20 ICED C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742495779 SMLTYKCJHDHXRV-DYVFJYSZSA-N 426.498 0.943 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)CC1 746037509 GRAWKTKQTFDMQZ-UHFFFAOYSA-N 425.489 0.705 30 20 ICED CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 752139956 OLPRIAFJLOSOKQ-UAHGDZPKSA-N 438.506 0.753 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C#N 752380960 FSQDUWBOUZEQOU-UHFFFAOYSA-N 442.476 0.488 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1CCOC 754775797 FZEVSIFXFCVRME-UHFFFAOYSA-N 427.404 0.546 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(COC)c2)c1=O 758077974 WEDRZEOPGRQLNN-UHFFFAOYSA-N 425.510 0.345 30 20 ICED N#Cc1cccc([C@@H]2CN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CCO2)c1 761188140 MGUSAFLQRUBJES-MOPGFXCFSA-N 440.481 0.911 30 20 ICED O=C(O)c1cn(CCOc2ccc(C=NN[C@@H]3CCS(=O)(=O)C3)cc2Cl)nn1 763099880 GNUSDLJTJLGSBU-GFCCVEGCSA-N 427.870 0.819 30 20 ICED CC(CSc1ccccc1[N+](=O)[O-])=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 765585196 XYEKPOHQMWYJPH-UHFFFAOYSA-N 427.464 0.439 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1 767192867 BQCGXMABASPLQJ-UHFFFAOYSA-N 425.507 0.557 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncs2)c1=O 767871294 DHEFMCRHQPAXTI-UHFFFAOYSA-N 434.543 0.155 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CC(N)=O 767889691 DBMZXNAIRKWQDG-UHFFFAOYSA-N 445.570 0.537 30 20 ICED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCC(=O)NCCC#N)C1=O 771413851 XQNLYTHZLHJENU-QGZVFWFLSA-N 437.250 0.789 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)n1 789788821 WKXOTNWCIVOTSI-UHFFFAOYSA-N 447.517 0.340 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 798565441 YDNCLFXZSHYOPH-UHFFFAOYSA-N 443.890 0.881 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 799288278 XTZXXDCROOHZHD-AWEZNQCLSA-N 427.910 0.954 30 20 ICED CCOC1CC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 805641755 SVPBCKVECRBXMS-UHFFFAOYSA-N 435.502 0.749 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)[C@H]1CN(Cc2ccccc2)CCO1 807468867 BXMADVZGGYLQGS-YLJYHZDGSA-N 436.516 0.887 30 20 ICED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808035850 ADCXHZFVEDWUQL-KGLIPLIRSA-N 433.513 0.628 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCn2cc(CO)nn2)c1 809874102 HTOYQJLEKQOKAZ-OQKWZONESA-N 435.510 0.795 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1286629848 OHEBSHMXXDXCDM-CQSZACIVSA-N 447.945 0.753 30 20 ICED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1287033391 NUBIMRXGRBHTNI-JXFKEZNVSA-N 436.582 0.593 30 20 ICED CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1295075274 OYVXBMRJKREEQY-HZPDHXFCSA-N 439.524 0.637 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 1342583194 JHYJAQOOJVHTSS-MRXNPFEDSA-N 445.501 0.938 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](O)(CC#N)C3)CC2)cc1OC 1469405172 KFEKTHORSQPIFE-HXUWFJFHSA-N 437.518 0.982 30 20 ICED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N 1663820134 ORHLCIICGTXRFZ-HNNXBMFYSA-N 432.495 0.968 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1731184019 YHEKRDDNFKBTEW-BEFAXECRSA-N 432.481 0.769 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1766726466 VOVWDTGKCKLHMR-QGZVFWFLSA-N 443.533 0.567 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1777901766 UCOXXROFEPCISN-QFIPXVFZSA-N 441.488 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ncccc23)C1 1777945001 DSRDNMVNDKUKGB-DKZVUGQWSA-N 425.489 0.895 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc(O)nc(O)n1 1778017725 RWAYKMYYCVUFGW-BOVFSGPISA-N 446.508 0.487 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)CC1 1778909204 YQALFYVZFBMFHB-NFBKMPQASA-N 430.549 0.078 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946470 XUKQKDYIVVPKIP-VLIAUNLRSA-N 431.880 0.865 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779103900 DDASLKDZKKRCEN-RKCKRZLHSA-N 433.408 0.455 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780333941 BSKHBFIJIKIAPX-HXUWFJFHSA-N 440.416 0.955 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781786059 WTEHCRMUOXTNCT-DEOSSOPVSA-N 439.560 0.834 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813974 OFWHODFCKCHBNN-MHRHTVJOSA-N 432.477 0.719 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1782714773 SNTIUJYZYPPQQZ-DENIHFKCSA-N 432.542 0.987 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782959930 BKMSMKJAECDUHN-RXVVDRJESA-N 447.513 0.344 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCC)NC(C)=O)C[C@@H]21 1783535475 KCZKKHZHPZSAMN-KXBKKGDSSA-N 434.537 0.129 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558624 UBPSLGQBNSHTIG-FCHUYYIVSA-N 449.504 0.694 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604399 KILXGYGFUFCLEF-FHWLQOOXSA-N 445.541 0.987 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21 1784484766 AMZIGDBPGUHOTJ-VKRLORBYSA-N 437.500 0.899 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1785075839 IMZMZUZCODCYAW-QRFQSNJMSA-N 427.505 0.350 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc2ncccn2n1 1788304280 XTWYJEMOQZLJLR-HNFFUWDWSA-N 439.520 0.794 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1788661894 ZLDNRHLIMCCKMY-FXRWFHILSA-N 434.497 0.177 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678509 GEVHYSWVKXZCTH-JOBZCOHHSA-N 428.493 0.606 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)cc1 1789092305 WIJFRDDJIZEBDK-BZSNNMDCSA-N 448.483 0.549 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5nccn5)[C@H]4C3)c2c1 1789971710 IAISIEUNEMOUCQ-ZVZYQTTQSA-N 434.460 0.320 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1792566697 VWTXDADXLHFIGH-SNUYAGJOSA-N 428.533 0.884 30 20 ICED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)[C@H]1SC(=N)NC1=O 1796044636 OIBWJNAGYYETPL-UXXRCYHCSA-N 434.566 0.709 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796450641 GXLMFAYWSWPGHE-KJLVNVKXSA-N 426.517 0.947 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1797646317 MCVMXEGRICMUNV-JCECYMMASA-N 427.567 0.672 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)cc1 1799641685 APGVOWLDLJTGBF-HNJRGHQBSA-N 439.541 0.982 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2)c1ccc(O)cc1 1801058300 TZBFSKBGSSUVFT-CROMWVBPSA-N 427.501 0.615 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)nc4sccn24)C3)CCC1 1801985088 YCXILGXHLXFKEP-YWVIFJGQSA-N 427.486 0.653 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803647634 GGGDCASRRPQOCX-RYRKJORJSA-N 430.461 0.705 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1nccn1)C2 1804377974 HZDKWVBEGHARTA-YYIAUSFCSA-N 430.509 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1807145638 OQJPFPDATBQKSF-ZHALLVOQSA-N 426.521 0.648 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1807193851 HUXRDRBJUUIUFX-FMKPAKJESA-N 427.427 0.799 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1810247391 WGSGTBCHVMCEGX-ZMMAXQRCSA-N 432.521 0.723 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811448968 HWMBKRXDXWCHAZ-JKRKXNATSA-N 437.504 0.956 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)CCC1 1814052861 JJNKWOVWZGONPJ-CRAIPNDOSA-N 433.472 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC)nc3)C2)C1 1829764673 SDGJXTZVTFPPAP-YLNCNTMDSA-N 442.516 0.572 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1829768733 GKOWSMVVGWIKAM-KOIKXXGWSA-N 431.464 0.754 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1829770588 ZNPOJUDRZASGFM-DYRFGFBLSA-N 445.520 0.140 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3OC)CCO2)C1 1830223594 BSLGHOPOEVELKW-JPYJTQIMSA-N 446.500 0.569 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1831139736 ZNXZREYEFLPMPC-OAQYLSRUSA-N 434.493 0.534 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1831399268 UFJAYGREBMTMGO-GAJHUEQPSA-N 440.500 0.682 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831576206 GLPZQVFHHJSVNB-LAUBAEHRSA-N 428.445 0.045 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)CCO2 1832100989 JEVAKYXEEKXTIK-JOCHJYFZSA-N 432.473 0.345 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832161158 AQTYLIPPGCJJHO-XOKHGSTOSA-N 439.431 0.557 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833145883 HKRIWRZSWASHKZ-UHFFFAOYSA-N 428.493 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833643138 NHYZAUDZQDSVCF-JTSKRJEESA-N 430.505 0.256 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833775499 YUBNEZDPHDLEEX-ZMNJEPIRSA-N 438.506 0.742 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833885095 AFCJAJVHZFSXBA-ZHRRBRCNSA-N 438.488 0.826 30 20 ICED Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)cc1O 1833945645 XIPLHACJZLGCTA-UHFFFAOYSA-N 425.493 0.824 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cccc1=O 1835097011 OHHRRHBWPCYYNG-XMMPIXPASA-N 435.480 0.507 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836047756 UWBFAKXWJAQUTP-UHFFFAOYSA-N 427.509 0.310 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1836302675 KWXHKDPVBZOFEP-OAQYLSRUSA-N 442.451 0.437 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1836871269 VIGZEFRCUQHSQW-MRXNPFEDSA-N 433.505 0.501 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837443472 BTRAAAWBQTWMDY-DHNIJCFSSA-N 446.552 0.524 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531576 PYMCLHSBOVNNKC-DTXYYNOZSA-N 449.508 0.626 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)c1 1838741828 DIOZEYHOVVERQB-JOCHJYFZSA-N 437.456 0.369 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)o1 1838906514 NGXPKGHJWODDLL-QFIPXVFZSA-N 439.472 0.996 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908616 KCKSWWPNGCBHPG-GHTZIAJQSA-N 433.530 0.742 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3C[C@H]3F)CCO4)c2c1 1839098666 KUZYENPOWDYHTI-CMPZQBNXSA-N 427.436 0.863 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105998 QXNBRICESDKVOG-DPLHUUCSSA-N 448.608 0.847 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839131641 PKIWLNNNQWEHAH-SBUREZEXSA-N 445.516 0.848 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cocn4)C3)C2)c(C#N)c1 1839132213 ZPPQGNPOWQHYLR-JOCHJYFZSA-N 440.456 0.868 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839164389 MOKNYMCQVOYXEK-GHTZIAJQSA-N 437.613 0.628 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363431 HQCMLSFJBOQYTO-GNBRFLJNSA-N 440.500 0.863 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1 1839487322 BMAFJLFVPCYURK-JOCHJYFZSA-N 449.471 0.552 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718544 AIONKOJKMNZBSP-HRAATJIYSA-N 448.476 0.425 30 20 ICED Cn1c(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2ccccc21 1840040157 QQRQGRUTIHJUMZ-QHCPKHFHSA-N 439.468 0.265 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1840399261 YHIJCPGOTCOIDP-GWJNGDFSSA-N 449.577 0.922 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814313 ASIBCDHSRMQBGN-IIBYNOLFSA-N 428.493 0.427 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1844252497 ZVANENKQEDOYGM-UHFFFAOYSA-N 429.530 0.966 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1846415854 VMRBPVMWNRLPFR-MJGOQNOKSA-N 426.517 0.685 30 20 ICED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 104539143 XOJHVFJNMWUEEH-UHFFFAOYSA-N 444.469 0.702 30 20 ICED C[C@@H](C(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409659093 XGXYTBOEOZNOOR-YJBOKZPZSA-N 435.488 0.619 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 410133625 ZPQOCRQCWAAUKN-TWMKSMIVSA-N 448.615 0.397 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCC2)c1=O 430990194 RAFQFSNWJHNARB-UHFFFAOYSA-N 427.530 0.774 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 439356492 KNRFPURNISEUMB-MRXNPFEDSA-N 440.479 1.535 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)NCCC)Oc3ccccc32)C1=O 440283948 PUTRGBZFKQJMID-FUHWJXTLSA-N 428.489 0.552 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCSC 443671601 COVAOBXLNOWGLM-UHFFFAOYSA-N 435.546 0.986 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 446526965 AWPFQRZVSFISMR-UHFFFAOYSA-N 428.493 0.619 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 447750288 IPYXDTORTSQOHL-UHFFFAOYSA-N 430.552 0.844 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC(=O)NCc1ccccc1 460613684 RUWHFAAVKVQJDR-UHFFFAOYSA-N 431.456 1.209 30 20 ICED CNS(=O)(=O)NC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 463204127 RJUGURVYMYIJKR-UHFFFAOYSA-N 440.570 0.470 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 464851790 AUTCWCYNTAAHQR-QGZVFWFLSA-N 425.537 0.720 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)NC[C@H]1C(=O)OC 468665898 FIRYWBHSOGGKLT-LBPRGKRZSA-N 440.250 0.598 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cn2)C[C@@H](C)O1 474573444 GNZFZRRPUVRGRD-ZIAGYGMSSA-N 442.451 0.785 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 480938955 SAQJPWCUNSYHTL-UHFFFAOYSA-N 439.453 0.884 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(COC)o2)c1=O 481579359 GYMGTZPHNPWKNU-UHFFFAOYSA-N 442.541 0.502 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)cn2)CC1 497493880 JRLKTKNGTXVMBG-OAHLLOKOSA-N 440.529 0.700 30 20 ICED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 502641282 CUYZNLHIRGLFPC-HNNXBMFYSA-N 432.282 0.549 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 506320918 NBOAXAQUXYWHKN-ROUUACIJSA-N 442.524 0.536 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 508040764 CMTJSPKRIKJLMR-FQEVSTJZSA-N 447.495 0.494 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 510232744 ZGVBGFSBGSKDCS-VQIMIIECSA-N 447.561 0.847 30 20 ICED Cn1c(=O)c2cc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc2n(C)c1=O 515255788 STPMIGOBEUANCS-UHFFFAOYSA-N 437.435 0.997 30 20 ICED COc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 518174169 PIPYRLIYAGICJL-UHFFFAOYSA-N 430.486 0.965 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2)cc1 527425408 RFXLFARHXSBHFQ-UHFFFAOYSA-N 446.489 0.242 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 530317953 TWOCONPRAVQAPV-OAHLLOKOSA-N 446.550 0.832 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 540371014 ZCPWPEACGYTZAO-OAHLLOKOSA-N 425.507 0.255 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)c1 544160436 RIPYCVQJIKUPAT-UHFFFAOYSA-N 446.485 0.746 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)o1 553773006 FANSAFWPMFHJJS-UHFFFAOYSA-N 439.471 0.618 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)n1 553967580 SMGAOELPIKHRGD-INIZCTEOSA-N 429.506 0.716 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)C2 560188881 GATXQAFFWURKKQ-UHFFFAOYSA-N 430.490 0.537 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 562932686 PVXSKPVZHQJELP-RTBURBONSA-N 447.561 0.270 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 566531555 SNBQZEQSLGZLIR-UHFFFAOYSA-N 442.457 0.828 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1 570401490 UKUVVXHIOJMHTJ-XHIHOLAXSA-N 430.468 0.703 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1=O 580737198 WFHGBRKNAIGMDK-LPHOPBHVSA-N 439.516 0.885 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCc2nnnn2-c2ccccc2)n1 580863137 HJNKFTKKQDHCEU-UHFFFAOYSA-N 428.416 0.412 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C[C@@H](C)O2 587659330 LGIOYIHWCQJKJU-ZMPRRUGASA-N 427.505 0.833 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 618640033 MUUBNRNHNSGBNY-UHFFFAOYSA-N 435.509 0.363 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 676748824 SEHCBEXWUKNKOJ-KRWDZBQOSA-N 434.518 0.589 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2-c2ccc(OC(F)F)cc2)C1=O 726036323 JFAHPDCVZBIFCU-UHFFFAOYSA-N 436.331 0.284 30 20 ICED CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 730725260 RLCXQEPVQRLGIE-RJHYDAJSSA-N 448.530 0.973 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 757014608 JMWKHIQJJJUZJH-AWEZNQCLSA-N 428.470 0.655 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758089709 NLWOTLNLQMYFNX-UHFFFAOYSA-N 439.537 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 765518168 XRYSRERIQPIDPG-SMDDNHRTSA-N 432.424 0.847 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647465 OSZRZBHULPNGJC-UHFFFAOYSA-N 441.557 0.230 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cc[nH]n1 772351846 BQOHEYUMYCPYAV-CYBMUJFWSA-N 426.437 0.092 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 774231124 KGWXXDHYKHUVJG-UHFFFAOYSA-N 441.462 0.970 30 20 ICED C#CCOc1cccc(Cl)c1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 779157966 LOONUVZQIXHDOI-MRXNPFEDSA-N 439.965 0.773 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccn2Cc2ccccc2C#N)c(=O)n(C)c1=O 780236311 QCQXPKFZXONGIM-UHFFFAOYSA-N 426.458 0.118 30 20 ICED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782636489 VMMDMCJIPOBZRR-UAHGDZPKSA-N 435.506 0.175 30 20 ICED C#CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 799086076 CSXPFZGIJIOGHL-OAHLLOKOSA-N 431.923 0.407 30 20 ICED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803551583 VOSAXZHTQXRQCC-QGZVFWFLSA-N 446.265 0.496 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 805365008 PJKUFRWFVPRRII-UONOGXRCSA-N 442.563 0.386 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC2)c1C#N 806518922 ICCKDIUBSXVVCA-CQSZACIVSA-N 447.540 0.668 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)[C@H]1CCCO1 809311200 GQQWQHDNMLBQFG-FUHWJXTLSA-N 432.908 0.720 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 811092638 JIKYLPBZSOYUHL-CSMYWGQOSA-N 435.462 0.146 30 20 ICED C=CCN1CC[C@H](N(C)CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1=O 812289272 BCTWESVGSQLQQO-YCRPNKLZSA-N 435.525 0.984 30 20 ICED Nc1nc(Cl)c(C=NNC(=S)NCCCN2CCOCC2)c(N2CCCC2)n1 863965696 NSAHYZWPDAPHIE-UHFFFAOYSA-N 426.978 0.833 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)N[C@@H](C)COC)ccc1F 914659579 WGCAEZKJHMFFSH-NSHDSACASA-N 431.442 0.308 30 20 ICED CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918246494 VAAACJRKFPJJQD-XQNSMLJCSA-N 437.522 0.326 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970471 FLOBAEHLHRQYDF-GUYCJALGSA-N 435.531 0.391 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1297706381 KDDIPHWDGJVKKX-OAHLLOKOSA-N 429.568 0.745 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)cc1 1317792701 FWMHMIPGNGXZAZ-MRXNPFEDSA-N 436.490 0.687 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1318497612 LSQQRDHDNHLZSW-ROUUACIJSA-N 439.472 0.613 30 20 ICED Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 1321960834 PUIBGYZKQUJHOF-GFCCVEGCSA-N 437.503 0.228 30 20 ICED C=CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1328275056 WAIJYRHGMNCYTC-SJORKVTESA-N 430.486 0.965 30 20 ICED CN(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)c1ccc(Br)o1 1338866475 SDJHROOLOJHGNJ-PFONDFGASA-N 425.239 0.757 30 20 ICED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1359430170 KOYUAKSCQSQMKK-UHFFFAOYSA-N 425.493 0.922 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccc(O)cc4O3)CC2)cc1 1441010094 LDRVPMQPCMFQCF-IBGZPJMESA-N 429.454 0.937 30 20 ICED COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1504907312 UGWJQHNQFBDOMK-AEFFLSMTSA-N 425.493 0.488 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1507779174 LAAZYRRNWGEXKP-QWRGUYRKSA-N 448.347 0.011 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1517075613 RYHFOIUHXGKLDH-UHFFFAOYSA-N 440.504 0.653 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1541675849 ZJUSXJAWKLMLGR-KRWDZBQOSA-N 431.541 0.524 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1552385098 ZZTPXMLWGOPBQV-MAUKXSAKSA-N 448.549 0.996 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1555813911 VIFYQEQABFIHMV-RHSMWYFYSA-N 438.489 0.019 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(Cc3nc[nH]n3)CC2)CC1 1619456957 NGNYJVNDBCDLRV-LJQANCHMSA-N 426.500 0.470 30 20 ICED COCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1619769131 VTLPHQRLGBEFGC-RDTXWAMCSA-N 428.559 0.806 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1728817358 LRXUZHGABQUGDY-LVCYWYKZSA-N 434.541 0.627 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1748134808 WGLMGOVFLTXVQA-HXUWFJFHSA-N 445.549 0.671 30 20 ICED Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n[nH]1 1751788859 LDXDYWRDCAJZEU-UHFFFAOYSA-N 441.521 0.568 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)n1 1751853996 VXICWVYZCFACQJ-SFHVURJKSA-N 428.541 0.979 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777785334 URMVQGNVNLXSDV-HRAATJIYSA-N 443.508 0.986 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)c(C)n2n1 1777785406 WBBQEQHEMNYKEV-OAQYLSRUSA-N 434.460 0.698 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778954910 QNOHRNSQERJWQM-IVZQSRNASA-N 443.504 0.718 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104197 CLROPMRPPGLDSY-YITPPGKRSA-N 433.509 0.928 30 20 ICED CC(=O)N(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779358914 MDSAWYUOJHHOLD-VXCQTLHCSA-N 435.569 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC)nn2)C1 1779950404 MTUZJNLPNKTOSS-HUFBTUHSSA-N 443.504 0.471 30 20 ICED O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1780154970 MBBZYLCBFYAAKY-HSZRJFAPSA-N 426.469 0.693 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1781308423 NIUQGXQQGDMATI-GOTSBHOMSA-N 447.532 0.914 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784198188 YVSGIKCYSLIILQ-GVRJEKJASA-N 445.582 0.560 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378426 BTUUTXSUGIFCRB-ZHRRBRCNSA-N 428.489 0.634 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1785684885 VYEWJDANJNRZFW-ZVZYQTTQSA-N 434.518 0.523 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)N(C)C)C[C@@H]32)c(O)n1 1785774065 LCAGBKLSLKQNRM-WBAXXEDZSA-N 430.505 0.587 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787498487 OJWDNCCGQIMNQC-CAEXGNQWSA-N 433.534 0.462 30 20 ICED CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788489763 KNXAEKPIENDWEL-VXZJRHCLSA-N 438.590 0.823 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789852887 NFEUINYIURYBCW-UGUYLWEFSA-N 445.582 0.826 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1792145910 YJMAOCBQYAVYIW-ZJOUEHCJSA-N 442.516 0.249 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2 1792489045 ARGFWWVVMUCPDU-KAXDBTLWSA-N 435.484 0.691 30 20 ICED O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CN1 1792576535 XUOCUZLMNQMKEB-OPOADAIRSA-N 429.904 0.807 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793630255 GFGSQPSFEJLHCG-JCECYMMASA-N 435.521 0.624 30 20 ICED 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]1C[C@H](O)CN1)C2 1793833685 HQVNZEVAGJBELK-COZGXFGHSA-N 436.553 0.817 30 20 ICED 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)CCC#N 1795420648 QHWWGSRTTLTSRA-RIUYPTKQSA-N 436.509 0.250 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795599207 YEMZKAAPMKMUFF-XZPSRCETSA-N 435.525 0.387 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1797783923 ZFCYFXOBHANMIO-XEMDLRDOSA-N 442.516 0.567 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)ccn1 1797783962 ACOQVRAROIRXRR-RMFSNUHRSA-N 427.501 0.992 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746614 FWWNAWAFTYOXKR-WTLGNFPFSA-N 432.452 0.052 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800773210 CAEQHLGSNPASRV-XYKMGWITSA-N 447.488 0.064 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801024313 CCMFWWYXVNKWJA-YVWYUNDQSA-N 433.486 0.344 30 20 ICED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)C1 1802405042 CVYLBNYSWQLLBB-KBXCAEBGSA-N 434.460 0.493 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1c1cccnc1 1802489800 MMFUVPLMKGHJQT-GSGQSAHHSA-N 427.505 0.470 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1802679734 JMZJWJCNSITFTN-LIVTULCWSA-N 443.552 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]1c1cccnc1 1803662425 AADYQHMWEVNCQB-CEYMVMLPSA-N 427.505 0.457 30 20 ICED N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1807055877 UCPOXZDPTKXHMU-UNPWJWAJSA-N 431.497 0.099 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812530044 PGWKUILNGZNBAZ-SQGPQFPESA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813468209 ADNFNDIJAYJAGS-GDJOKLCOSA-N 438.492 0.194 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCNC(=O)c2ccccc2)[C@H]1c1cccnc1 1814027115 CZLWXPYRBQBWLG-WMZHIEFXSA-N 448.479 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)[nH]n1 1814438203 QSYSHGYJFXKURD-LZDOZHLXSA-N 446.508 0.411 30 20 ICED CN[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)C(=O)O 1817365389 DIIOLFOVYDDXCM-GJZGRUSLSA-N 433.513 0.746 30 20 ICED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819843931 PGUROMKKXYATRT-UONOGXRCSA-N 447.561 0.347 30 20 ICED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(N)=O)CC3)c(C#N)c1 1822811352 BWNMYZXPGYADCS-CYBMUJFWSA-N 442.501 0.846 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CSc3nc[nH]n3)sc2C1 1826665639 YBXUOHOPQMCJNO-GZTOBOFZSA-N 447.546 0.824 30 20 ICED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)C(=O)C(=O)O 1828998497 HYUPEYGWNXWBBI-ZMPUUUETSA-N 446.504 0.861 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063049 HUZIMMYRRHAKIM-OAQYLSRUSA-N 438.525 0.907 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831112061 MYLGANDEKZRTBJ-XXBNENTESA-N 440.500 0.405 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831394074 VQBIDEDGHAQFTN-QVKFZJNVSA-N 427.461 0.066 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831497284 BGDXRTKLGRHBOV-LXBDKUERSA-N 429.517 0.964 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1832452976 MSXVAMTUTIWRRQ-FQEVSTJZSA-N 438.550 0.519 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)no1 1832929818 WCTQOMAOTWLCCU-NRFANRHFSA-N 443.435 0.702 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccco1)CCO2 1833070278 KMSIXCRLDYLHRS-RFZLEXFFSA-N 429.473 0.608 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n(C)n1 1833447226 DVEWSPZWNVNKRG-QRWLVFNGSA-N 437.497 0.300 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833472603 SXQKJHULBCBGLA-UHFFFAOYSA-N 443.610 0.976 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1833476884 MNARXCIJEBAJDR-MRXNPFEDSA-N 439.626 0.633 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565409 KNLBMGGJDBTWOI-FQEVSTJZSA-N 437.518 0.272 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833567561 OXCNQMXIFOEGNU-LJQANCHMSA-N 440.497 0.772 30 20 ICED Cc1noc(C)c1CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833849791 QNZRFLSOKWUFIS-UHFFFAOYSA-N 430.505 0.884 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1833860430 LQQKAQFJTCCNPR-DNVCBOLYSA-N 426.539 0.453 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1834601018 QWGWZEWQIXOMFI-GOSISDBHSA-N 430.597 0.498 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621329 VUVFCMAIUXADEG-GOSISDBHSA-N 437.585 0.691 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1F 1835097021 OYJTYPFNEXHEPQ-JOCHJYFZSA-N 426.448 0.979 30 20 ICED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccccn1 1835099004 WHJYWRWXGDHIEX-LADGPHEKSA-N 434.496 0.590 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1835099163 AUHRIEIYRGXGAE-XMMPIXPASA-N 445.479 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1835681349 SUKOEFMYVVJTKT-JOCHJYFZSA-N 446.552 0.402 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124870 WGCFGZFFEZCEBB-KKSFZXQISA-N 435.477 0.057 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526241 PMGFMPVADTYWQO-NRFANRHFSA-N 425.445 0.149 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1836859224 VCHCDGYFWKVRCU-HNNXBMFYSA-N 432.525 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(F)cc34)CCO2)C1 1837039633 UUGXDTAWHQZGLF-QRQCRPRQSA-N 444.463 0.810 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1837392380 DSNUUTZMSFTVBJ-PGRDOPGGSA-N 434.537 0.529 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431626 YUIQZKJNUYDZPJ-WIYYLYMNSA-N 437.613 0.628 30 20 ICED CC(C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524752 LXJVBPIPXKDYAE-ZISMNVMJSA-N 441.525 0.787 30 20 ICED CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837598447 AXMGXGGADRPRIC-WMZHIEFXSA-N 436.549 0.955 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837769991 ITVQRXXZEVDIRE-QGZVFWFLSA-N 430.567 0.603 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1837869515 UZAUHSYHYVRBIV-UHFFFAOYSA-N 432.525 0.143 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)c1 1838109476 SJACQKRWXBJKFV-HXUWFJFHSA-N 430.392 0.775 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccccc1=O 1838429543 ZQUXMSSKFOTYMA-MRXNPFEDSA-N 429.473 0.496 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5c4)C3)C2)c1 1838740447 LIBHCYSLJQCDOJ-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1838744302 BWYMUVXYZGRXII-HSZRJFAPSA-N 449.548 0.990 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905427 FKHDIRPUEUENKX-QHCPKHFHSA-N 442.516 0.935 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1838908873 YXDWFKLIBCOKGH-XMSQKQJNSA-N 426.473 0.154 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452052 DQSCWDOSHIXHAT-HXOBKFHXSA-N 442.516 0.804 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839774770 QLTPUHFUIHKTIT-DNVCBOLYSA-N 428.551 0.694 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)cc1 1839866678 IHRXTCTXTYKVAA-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840161593 USWFQJZLOIOCFC-VHKYSDTDSA-N 435.502 0.496 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840164576 BEQJKSPWGUNXGF-AUUYWEPGSA-N 443.566 0.818 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1840842872 HHFVRMWCMIDMCR-QHCPKHFHSA-N 444.484 0.319 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](C)CS(C)(=O)=O)C2)c(C#N)c1 1841618473 FANLJRAMOWMXBU-OAHLLOKOSA-N 433.530 0.993 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999116 FFSMVNSCBWBFRZ-UHFFFAOYSA-N 429.477 0.343 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)[C@@H](O)C1 1844796567 NEUUCUFCAFDPQP-RDJZCZTQSA-N 443.504 0.931 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cc1 410103656 CWXIZYQXXNPPHR-IAGOWNOFSA-N 442.563 0.455 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 433649498 NAGSPSGOQBCUML-GFCCVEGCSA-N 435.893 1.229 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O 440243712 NXLGNIUSFQZQAT-QGZVFWFLSA-N 436.534 0.899 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 460605113 FKCXRWXYZOVCOR-UHFFFAOYSA-N 449.496 1.432 30 20 ICED COc1cc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)ncn1 461781036 ZMNICUBDORUMHS-UHFFFAOYSA-N 433.432 0.225 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 465418128 SFGPYBFAMYXBNC-GFCCVEGCSA-N 433.428 0.250 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 469273375 MGOPWEFBOOQHFD-HNNXBMFYSA-N 434.518 0.715 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 472104714 UUHFTYSERHYEMN-UHFFFAOYSA-N 446.533 0.914 30 20 ICED Cc1nn(C)c(N2CCN(Cc3nnnn3-c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 472177108 VVWICJWKHZJQKB-UHFFFAOYSA-N 441.521 0.302 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 474500812 UKJYTTXMZZWBCJ-UHFFFAOYSA-N 427.393 0.816 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(CC(C)C)c2=O)n1 479369699 CLRXODITCQCIQB-INIZCTEOSA-N 442.541 0.768 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)C1=O 483493885 HFVPLCPSUQDTAP-HNNXBMFYSA-N 427.461 0.299 30 20 ICED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 494368339 PFWJWVOCQWGIEQ-AWEZNQCLSA-N 439.563 0.310 30 20 ICED CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccnn2C)c1=O 502053728 RFKNETXEXQTTRC-UHFFFAOYSA-N 437.481 0.576 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCCO1 505701695 YPCBKRYINCPLMA-INIZCTEOSA-N 443.573 0.940 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 507293197 QBTCFRIUZHPYPX-UHFFFAOYSA-N 425.514 0.917 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507641585 SAFAIIYBTUYSGH-GOEBONIOSA-N 445.505 0.302 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509252909 DIEBOMIXOMZHNB-BZUAXINKSA-N 434.588 0.246 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 518203548 HKRPLKMFDNCFJL-SFHVURJKSA-N 434.456 0.142 30 20 ICED C=CCn1c(C)cc(C(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C 533056094 MQXPEPWQEQFZQC-GOSISDBHSA-N 436.578 0.395 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc3c(c2)OCCO3)c1=O 533120451 SWMBPZZDWHDORG-UHFFFAOYSA-N 437.481 0.136 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)cc(F)c2)c1=O 533691224 YFDHXJGLWQTDOI-UHFFFAOYSA-N 447.463 0.923 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 541401449 OYFJUZVMWSXEIM-UHFFFAOYSA-N 445.520 0.581 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)CN1CCOCC1 543928562 SZFFSKGMJRCVEH-HXUWFJFHSA-N 446.895 0.535 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)c1 550933773 XJCFCXGLTSCJLN-UHFFFAOYSA-N 448.527 0.750 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 556101450 RSCBJWHRIKYHNH-UHFFFAOYSA-N 446.939 0.141 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nc(C)c4ccccc4n3)CC2)c1C#N 557448547 UDYYIBCJYKTMJG-UHFFFAOYSA-N 432.488 0.817 30 20 ICED Cc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)n2C 575091165 ZYUJYDYYETWNIR-UHFFFAOYSA-N 434.504 0.760 30 20 ICED Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 583534822 GTDQCAPNGZDLPW-CQSZACIVSA-N 437.503 0.340 30 20 ICED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 588126149 BSOHEEDVRFOSNC-UHFFFAOYSA-N 435.550 0.341 30 20 ICED N#Cc1cccc(CS(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 603598030 RQLOOBMHDAALRS-LJQANCHMSA-N 441.575 0.599 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3ccc(C(=O)OCC)cn3)CC2)C1=O 604550589 GJLFHKGEZUAKAB-UHFFFAOYSA-N 443.460 0.274 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 609538037 KICJBPVEKPGISE-OTWHNJEPSA-N 426.583 0.347 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 615981801 VLZPRVCUDAXQDL-CQSZACIVSA-N 432.510 0.510 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 731863575 ZTYOYQYUPHFPDG-MEUCICPISA-N 448.501 0.400 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)n(CCOC)c2=O)cn1 732560926 CMDWQCHWQISGAV-MAUKXSAKSA-N 443.573 0.971 30 20 ICED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 732909423 BKUOITXMQHKDLJ-SNVBAGLBSA-N 429.248 0.757 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1 737268586 NNTAXKMKCPXEIA-JWGURIENSA-N 438.506 0.096 30 20 ICED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccccc2O)CC1 741344747 RKVQOJQBMQOBNU-MSVBSMQLSA-N 442.472 0.889 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743729001 UOXMAWURFCWZQE-UHFFFAOYSA-N 447.586 0.241 30 20 ICED C#CCNC(=O)C1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 747795987 HJEXWZJOEPUOEY-DEOSSOPVSA-N 437.544 0.992 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1C#N 752405325 POLBTIGCWWRARD-AWEZNQCLSA-N 437.478 0.605 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 756763386 ZHMLRXHACRMXEV-GJZGRUSLSA-N 433.490 0.965 30 20 ICED N#C[C@H](CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 764371657 IXIKSQNTPKAUHC-ROUUACIJSA-N 439.559 0.420 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 767840447 JUTJHNFDTKTHGV-ZUOKHONESA-N 441.469 0.723 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768487008 TXMXKLLJVMBWRN-BAOKRACBSA-N 431.478 0.865 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cc[nH]n1 770821873 LCVXIUVODUZNJV-UHFFFAOYSA-N 429.433 0.805 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccccc2OC)CC1)c1cc[nH]n1 770833367 NSOPATSTISWJGM-UHFFFAOYSA-N 443.460 0.687 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cc[nH]n1 772596986 VKJYEMLUEDQRAS-UHFFFAOYSA-N 447.423 0.944 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)c1cc[nH]n1 789990425 OOASHOUPIBESRA-UHFFFAOYSA-N 429.433 0.384 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797511668 GFBQKTYJZDFUPG-JLTOFOAXSA-N 437.518 0.993 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CCOC 797641884 XEYMSQANRYQJQA-UHFFFAOYSA-N 427.404 0.704 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 799284365 DUJMUTQVZHPXAC-OAHLLOKOSA-N 438.550 0.612 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC(=O)N1C 800657664 WAUISISZSFSDNX-IQQDNESTSA-N 435.506 0.127 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 807299478 OICDTVAEIWKSEI-CQSZACIVSA-N 425.482 0.906 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C1(COC)CC1 811160893 PYTVLPGIWSCBFI-CQSZACIVSA-N 443.547 0.909 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815633050 FCRZTUFEQRCAIZ-ZDUSSCGKSA-N 437.399 0.517 30 20 ICED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C)c2)c1=O 839356295 UWIHODBFOBDSPR-UHFFFAOYSA-N 437.525 0.461 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 849118491 CJFREQGURHRXCI-LJQANCHMSA-N 438.506 0.911 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3ccccc3C#N)ccc21 1251955812 LCLXRBSWMOMMAR-UHFFFAOYSA-N 426.454 0.702 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1307858810 UVVXMJPQNNMHKH-RTBURBONSA-N 445.495 0.288 30 20 ICED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1315195219 KGEWUHPIKCTKIK-BHYGNILZSA-N 439.586 0.736 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1316539824 QYRLZUGFOQGNEV-DLBZAZTESA-N 444.517 0.573 30 20 ICED COC(=O)C1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1320525611 BKSKKNLFLSJROA-UHFFFAOYSA-N 435.502 0.485 30 20 ICED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503374597 PYPBCOMRKSKVOA-GOSISDBHSA-N 436.520 0.511 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1504264580 VSRSCJDQLIAELP-OCCSQVGLSA-N 438.485 0.813 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CCC1 1541908014 IJPQYBQMBDFDOB-STQMWFEESA-N 432.572 0.594 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 1541942977 NMVQXAFDACOLEQ-GDBMZVCRSA-N 437.570 0.370 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1552886776 VIXLAGJPOITJEH-UHFFFAOYSA-N 446.537 0.947 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1554358830 USEIBVCZOCUHDX-OAQYLSRUSA-N 425.493 0.122 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)nc1O 1671658323 UCBRCFZNKRTXKZ-GOSISDBHSA-N 426.477 0.411 30 20 ICED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1709336132 XGFDGQAAGQXMNU-PXNSSMCTSA-N 431.518 0.982 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1742670080 UXEJLAQTEVOZKI-MRXNPFEDSA-N 432.554 0.652 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863672 BLKCMILNEVNEEU-QMHKHESXSA-N 440.500 0.359 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779101244 IYBNPAFSCHNCTK-OMJZWIOZSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779104719 DQEJDDHMDVZCJC-XUYQLWACSA-N 436.509 0.358 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1779268825 FNDWRGRKMVUOPT-MPWIWIEXSA-N 432.521 0.867 30 20 ICED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779543942 DHOSMZMMFVGNSB-OAHLLOKOSA-N 443.245 0.762 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1780176992 PNIUSPBLSFZPNV-PXAQALGRSA-N 441.484 0.888 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781336971 MUGKZWWUKFRXEF-VFNWGFHPSA-N 438.525 0.642 30 20 ICED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790450 VALUPWYXFHCVDN-HSZRJFAPSA-N 425.533 0.444 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)c1ccc(O)cc1 1782257262 CNTZOZORSJQJCU-IKQBDLNTSA-N 442.560 0.689 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782855523 HHLLYLHSLNJYGQ-GAJHUEQPSA-N 442.516 0.866 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COCCC13CN(C(=O)OC(C)(C)C)C3)CCO2 1783056070 MFQNNJJRBSDALC-GAJHUEQPSA-N 447.532 0.723 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)cc1 1783444607 IDGITQYMFCPTJL-SXYSDOLCSA-N 426.517 0.193 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784533071 IWHWWKBAECPVOM-TUUVXOQKSA-N 433.534 0.983 30 20 ICED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785324731 HRBFVGUFUOWAKX-LIRRHRJNSA-N 426.539 0.986 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378463 DVONALHBMQKLID-JOCHJYFZSA-N 428.489 0.539 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786725732 MGISWVAENRTYJU-CGBFIWBNSA-N 426.627 0.558 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccn4cn3)[C@H]2C1 1788074518 PQVRRIMSXRMXDB-UYBBGVAXSA-N 437.500 0.786 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788629805 CONAVTWIZWUUCU-BZSNNMDCSA-N 440.562 0.099 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631344 MEIQNJNDUHIHQX-VJANTYMQSA-N 433.549 0.579 30 20 ICED COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658128 LSZCMGRWZHEVRH-BVYMMGMLSA-N 425.482 0.448 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789907096 HOHIMUFBAVSSHK-UHMOLFJZSA-N 442.491 0.840 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790620262 HLAPBPPMNYBOMP-QRFRQXIXSA-N 425.533 0.913 30 20 ICED CCC(=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 1793249789 WZIWXNIPXHVPST-PJKMLTEKSA-N 428.489 0.685 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1 1795084814 VBILAICAHABBGP-DPIQGUFMSA-N 425.894 0.860 30 20 ICED COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1795134027 PVMRTJQSQABZQI-FAQVEIGNSA-N 429.473 0.652 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1797812389 SMMFHFGEKKLSQF-YUEZQPDVSA-N 442.476 0.462 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)c1n[nH]c2c1CS(=O)(=O)C2 1798430292 UGNPDXLBFMFHSU-WSBHYZCFSA-N 448.549 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCC)nn1 1798753970 AZDLBBRNXPFJMP-CCWDJLKJSA-N 432.477 0.588 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2)C(F)(F)F 1800550542 ZXJHJEHOOWVKNY-KDQWQRHNSA-N 434.440 0.497 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2)c1ccc(O)cc1 1801055918 UKQJWWMMUQOWPK-DCXXXQMHSA-N 427.501 0.567 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2nnc(C)o2)[C@@H]1c1cccnc1 1802479921 CTRACOYXNLBPDF-MIPIJZKVSA-N 438.488 0.880 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1804774880 YWDCQLMTMKEQRQ-PLVIEQCCSA-N 435.484 0.893 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807149403 FTHWEBARUDYGFC-UYAOXDASSA-N 428.537 0.895 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1 1807417012 ICNAFPNYBJGTCA-VGSWGCGISA-N 432.440 0.461 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2ON=C(c3ccccc3)O2)[C@@H]1c1cccnc1 1810166484 SCDHBZHTWVPCCT-MONBJTKQSA-N 448.435 0.910 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)CCOCCOCCOCCOC)[C@@H]1c1cccnc1 1812530139 RYFBFBQDEWBWES-NZQKXSOJSA-N 447.532 0.807 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNC(=O)c2ccc[nH]2)n[nH]1 1815850432 ZVSKGSAOBMDWDJ-HNNXBMFYSA-N 426.433 0.638 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3ON=C(c4ccccc4)O3)sc2C1 1819592559 FBGQCEOIQACRRR-HXPMCKFVSA-N 440.437 0.878 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1831402204 QLHUCUDGPCZQHU-WZONZLPQSA-N 430.501 0.732 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1831424068 CAOCHUQWMBTAJE-NJNPRVFISA-N 433.505 0.909 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833464521 IPHWRROZXAVSRQ-OAHLLOKOSA-N 430.505 0.716 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833677366 GFPMWTSSMMZBOY-SPLOXXLWSA-N 434.468 0.535 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1833837426 ASZSYWLRNVTTIW-QFIPXVFZSA-N 438.488 0.390 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834395909 OPMANAJDUYNHFF-JLHBBBICSA-N 435.481 0.019 30 20 ICED Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835803595 JURZOLICXGGDKZ-IBGZPJMESA-N 430.490 0.617 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394600 RKVUDWJFLLRNLK-ZHRRBRCNSA-N 443.504 0.372 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1836884687 OAXBAYSTWSRBHH-HXUWFJFHSA-N 437.562 0.864 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837397121 QUXBPLNFIYLPJC-XXBNENTESA-N 442.516 0.977 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526564 UZHPZUDLGQEYRX-BNMHGRMESA-N 443.566 0.926 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccccc1 1837616028 SQIJXIZKNFMYSM-YKSBVNFPSA-N 441.528 0.906 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)ccn1 1837977726 OJONGSRXVZDFOY-HPARJBSBSA-N 442.472 0.872 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)ccn1 1838718706 DOYUEOWVOOHJAD-JOCHJYFZSA-N 444.488 0.878 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838834406 ZMWDAGDUAYNFIT-IERDGZPVSA-N 436.509 0.072 30 20 ICED COc1c(Cl)cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840045147 SWRXTBYPDDZTSE-HXUWFJFHSA-N 436.848 0.507 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161274 JNZPFLKMGIKNLI-BTYIYWSLSA-N 435.546 0.791 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CN)c4ccccc4)C3)C2)CCC1 1840812940 TXVWOUBVWRLYEH-XXBNENTESA-N 426.517 0.879 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842798809 QKAYSZLTLHWLFZ-DOQJBMMISA-N 432.521 0.938 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843440723 FFDCOZUBPIQIOT-KTKRTIGZSA-N 435.484 0.841 30 20 ICED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301487 QTSHPYIKLIBWJE-AOOMUMSASA-N 440.460 0.436 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847784670 LPXDGOVECOADNV-ULQDDVLXSA-N 425.551 0.215 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1847800009 IWEMXBIXQIDQET-SQNIBIBYSA-N 449.548 0.989 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(S(C)(=O)=O)CC1 1847808086 BLKJQWNDUPZRML-ROUUACIJSA-N 427.567 0.843 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)N(CCC#N)c2ccccc2)n(C)c1=O 16160974 YGGRWNDEZULVDC-UHFFFAOYSA-N 438.444 0.314 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c1 434971554 BNUASVOICNOGME-UHFFFAOYSA-N 437.518 0.682 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCNS(C)(=O)=O 440380199 FXGDQBOOOQNWBA-GFCCVEGCSA-N 448.526 0.042 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443316574 GTUMIEYVBBRGPU-UHFFFAOYSA-N 437.400 0.344 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 446531032 PLMSAVFVPZPNSC-UHFFFAOYSA-N 449.533 0.239 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460613701 RVHBBMLPXLOHBR-UHFFFAOYSA-N 427.428 0.693 30 20 ICED COC(=O)C1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 462091018 HKPHEUQOPQXIJX-UHFFFAOYSA-N 441.531 0.538 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463089086 CHMKGVRCHHUIOJ-LFGUQSLTSA-N 426.448 0.898 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1 467612842 KAGRSOKKQXUQDB-BFUOFWGJSA-N 435.506 0.993 30 20 ICED COc1ccc(CN2CCCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)cc1 467986447 XLMCWWMVZCMGHO-UHFFFAOYSA-N 438.488 1.544 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](c3ncc[nH]3)C2)CC1 471171510 YQJMACMPMZZRDK-SFHVURJKSA-N 442.545 0.994 30 20 ICED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472994079 NXIKTDRZBMQPHZ-GOSISDBHSA-N 434.508 0.537 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1c1ncc[nH]1 473080060 KDVOYPICCYLUQY-QGZVFWFLSA-N 433.476 0.765 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 473386172 FYTUZUASLHYLLC-FQEVSTJZSA-N 439.516 0.052 30 20 ICED CN1CCN(C)[C@@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 477616775 SVPNVNOILWVSCJ-KRWDZBQOSA-N 428.516 0.943 30 20 ICED CN(C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1)S(C)(=O)=O 487493293 AWVJGHVZGZXERB-GOSISDBHSA-N 433.534 0.725 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488312992 MEVUGXDNIBBMFP-WWGRRREGSA-N 443.460 0.336 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1OC 489013655 ZDYJAYPMQGDDEW-AWEZNQCLSA-N 444.509 0.971 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 491153301 CRRTZDAXAAHQJZ-MRXNPFEDSA-N 447.561 0.926 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)CC(=O)Nc2c(C)cccc2C)C1=O 494480714 ZGXGZMZIPZBIGV-UHFFFAOYSA-N 430.461 0.694 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)c1cccc(Br)c1)c(=O)n2C 496225659 MHDYIEMITFVFMO-LBPRGKRZSA-N 431.250 0.577 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 505859301 TWEZCMSCTBPGJD-UHFFFAOYSA-N 426.499 0.623 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N[C@H]1CCOc2ccccc21 506666404 SWZNWJKGEKJMEF-KDOFPFPSSA-N 442.497 0.981 30 20 ICED CN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507369523 JXUBZMJEFNCCCM-UHFFFAOYSA-N 436.534 0.665 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC)C1 508944518 FJSGHZRERUABDD-HNNXBMFYSA-N 433.538 0.889 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1cnn(CC)c1 512747442 SMPACXVUMSZMNN-UHFFFAOYSA-N 439.545 0.751 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2cccc(OC)c2)c1=O 512762039 MNKYTDICUDYVQQ-UHFFFAOYSA-N 435.509 0.906 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2=O)cn1 513128075 DGGGVWMMEDQTAG-HNNXBMFYSA-N 436.407 0.477 30 20 ICED Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1S(=O)(=O)NCC#N 520862224 ZZXJAXJTBKXJQO-UHFFFAOYSA-N 428.517 0.436 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCc1cccnc1 531938444 GJZKVCAHEHFOBB-UHFFFAOYSA-N 426.523 0.867 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 534908531 FVLBQALJIAYPOV-UHFFFAOYSA-N 432.506 0.745 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)cc1 536343765 YZTXWUYXSTVETC-UHFFFAOYSA-N 431.518 0.851 30 20 ICED C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CN1CCN(C)CC1 551151762 MYHHFPQSWOQLTC-LJQANCHMSA-N 428.581 0.448 30 20 ICED C=CCn1c(Sc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nnc1C1CC1 552924382 LOJHTQQSAYMDLJ-CNEMSGBDSA-N 431.478 0.244 30 20 ICED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 555896343 NBSHAOKQCBCZNF-AZUAARDMSA-N 432.484 0.548 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 557733405 VVLIFTSVLKWOAL-LJQANCHMSA-N 428.581 0.865 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CCC(F)(F)F 558247642 LJYDUPUDIWBJJP-UHFFFAOYSA-N 426.443 0.992 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cc1 558403036 QVYHMYDEOANNJC-ZRBXUZRCSA-N 427.548 0.800 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561130108 NHUVRMBHTRZZOD-PKOBYXMFSA-N 443.523 0.915 30 20 ICED Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC(=O)NCC#N)cc1 561394677 DBZITYNLBRQVPN-LJQANCHMSA-N 426.498 0.867 30 20 ICED Cc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(N2CCOCC2)c1 566030472 WICCTFIZZLVQRH-UHFFFAOYSA-N 439.520 0.716 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 568789869 MAQJBWCFHOQGQD-UHFFFAOYSA-N 446.554 0.984 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)cn1C 587718256 NGRSOKCWEUHFEG-CQSZACIVSA-N 444.517 0.311 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603794302 DUJRFBGMLVMPTE-UHFFFAOYSA-N 428.470 0.590 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)c1C#N 616005621 NUYQIBRMICYETP-UHFFFAOYSA-N 433.476 0.527 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 623228877 USZFBRIQGDMAEZ-HUUCEWRRSA-N 442.472 0.529 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 682349225 KQSLVJSAAZVPBZ-INIZCTEOSA-N 449.489 0.723 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(S)nnc2-c2cccc(C)c2)CC1 729257134 SVCYPDLWPAJTFJ-UHFFFAOYSA-N 426.546 0.826 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 729626488 LYRVSJVPUSYQOT-AWEZNQCLSA-N 426.495 0.183 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731504963 PDMMRWVCTVSLBH-HNNXBMFYSA-N 444.425 0.982 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 733148745 KIJOATGSPSUHME-GOSISDBHSA-N 430.936 0.972 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 755821720 HXGQSONHVNOFQU-ZDUSSCGKSA-N 432.506 0.558 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 756658349 JEAVPLOJIZOHGP-CABCVRRESA-N 447.496 0.622 30 20 ICED Cn1cc(S(=O)(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)c(=O)n(C)c1=O 771892768 UUPUOSNADOKBKB-CQSZACIVSA-N 437.478 0.435 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 787758488 YZYZFKZNVDUZDA-UHFFFAOYSA-N 428.537 0.832 30 20 ICED C#CCCN1CCN(C(=O)[C@H]2[C@H](C)CC(=O)C[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 791127430 PMDFNFFXBIQLHD-MZYLBHOOSA-N 440.588 0.553 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)C1=O 791133585 JSLZCFQOBXWRKO-SFHVURJKSA-N 439.472 0.942 30 20 ICED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800773763 LLNNJDZIUWUTRT-HNNXBMFYSA-N 429.568 0.056 30 20 ICED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 802527951 NZRXQOQLOIUXQS-QGZVFWFLSA-N 434.522 0.765 30 20 ICED C[C@@H](OCc1ccccc1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 811645469 NMPNQAXOSVNIPF-LLVKDONJSA-N 448.423 0.886 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 814334789 NXMQTOGZCHNGOH-KGLIPLIRSA-N 427.548 0.787 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815262512 MCHNKCYKEKXPAW-LSDHHAIUSA-N 438.506 0.789 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 815718861 NRCLVNWLTNURKX-UHFFFAOYSA-N 433.516 0.992 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839231987 VTPOIRVFRSLNDC-UHFFFAOYSA-N 437.525 0.347 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CCOC)CC1 916200036 SENMQYIIAKAHJG-UHFFFAOYSA-N 446.598 0.593 30 20 ICED Cn1cc(S(=O)(=O)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 916822065 KIBNWKKXYSNBCJ-UHFFFAOYSA-N 439.519 0.524 30 20 ICED CC(=O)N1CCN(CCn2c(N3CCN(C4CC4)[C@H](C#N)C3)nnc2C(C)(C)C)CC1 1286889219 GYKAOSPEXNEVDV-LJQANCHMSA-N 428.585 0.916 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1335697848 NOFFYZXKDYZQBR-CYBMUJFWSA-N 431.489 0.898 30 20 ICED Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1492587197 IAGSTWOMHLDSNH-LJQANCHMSA-N 443.577 0.903 30 20 ICED N#Cc1cn(CCC(=O)NC[C@@H](O)COc2ccccc2Br)c(=O)nc1O 1545419583 PVVVQINUIRIOHO-GFCCVEGCSA-N 437.250 0.529 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1554498188 OEDJOLAWUIMEGV-UHFFFAOYSA-N 436.480 0.367 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1613588199 AULAEQQQIFTSLZ-XMSQKQJNSA-N 444.584 0.440 30 20 ICED N#Cc1cn(CCNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c(=O)nc1O 1633550627 VNYYVYCGFYEGCS-UHFFFAOYSA-N 437.313 0.989 30 20 ICED CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695351782 PVWHQXGPWVHTPF-ZIAGYGMSSA-N 433.542 0.675 30 20 ICED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1698358283 BYVNOUNRHOWWOK-HIFRSBDPSA-N 439.611 0.960 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1767515980 SPAFGDGHXHDOBD-IIBYNOLFSA-N 425.493 0.107 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778787352 FKKWANYFQLVFOI-UZLBHIALSA-N 434.424 0.205 30 20 ICED Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395238 NOVZRAJPBRPXED-DYESRHJHSA-N 429.521 0.939 30 20 ICED Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1780015827 CZIOSOADFWIJIG-JXFKEZNVSA-N 433.534 0.729 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781057956 WWIUKEMDVYVCRR-BSRJHKFKSA-N 447.532 0.727 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c(Cl)c1 1781971539 XHUAQRXNPVVXGG-FPOVZHCZSA-N 448.907 0.306 30 20 ICED CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1782228356 VEGPXUPPYCTYQS-CSODHUTKSA-N 440.610 0.896 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)CCO2 1783054239 CQUIDXMXMIOGGR-FSNCLGKMSA-N 433.505 0.474 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1783132222 SUBGJJDBLNSLJR-DENIHFKCSA-N 438.488 0.743 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783606426 WCNCAIIOLLLRBZ-KEXUJGGDSA-N 443.500 0.696 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1783885133 CDIBVCKEEAZDPH-BTYIYWSLSA-N 447.561 0.170 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1784012213 ZRVMVDWKOWXSGU-FHJLPGHOSA-N 427.501 0.854 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373826 KABZWBHJZYAYPF-KNQAVFIVSA-N 429.521 0.480 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444220 IGFMETUOJFGDIW-AJNGGQMLSA-N 437.509 0.505 30 20 ICED C#CCO[C@H](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 1784481458 QIBSHPQREAKQST-XUFBONQXSA-N 432.517 0.760 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784605224 QXDZLBABOPCXSP-XPYUAMARSA-N 428.489 0.428 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3OC)[C@H]2C1 1785648255 IIMJNFQPBUQHTE-JYJNAYRXSA-N 432.477 0.588 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1786563281 JTXNRFICMCYUQS-BZSNNMDCSA-N 425.514 0.928 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c1 1790271523 XRIBFKVPANQTOK-WNHJNPCNSA-N 427.505 0.053 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21)C(F)(F)F 1790881731 NXRDFOXMOJTYHL-ULQDDVLXSA-N 432.487 0.722 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]3C2)c1 1791300610 OZBBSPQWVIEUEZ-WBAXXEDZSA-N 447.513 0.978 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)CC)C[C@@H]21 1792259124 YLZBPATVIFBQCQ-OVWQWFNUSA-N 435.521 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1792485792 HKYOSZZOVPAUON-YOEGPNAJSA-N 434.880 0.502 30 20 ICED Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)cn1 1795769773 NZBWMXXZTNOFHU-HATOLVCRSA-N 428.533 0.641 30 20 ICED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1F 1795909203 UMBJBZXVPDKJQY-XOIINTDNSA-N 433.484 0.714 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1796048389 UFDVKPUIWHMCIR-BTTYYORXSA-N 437.591 0.767 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ncccn12 1797005170 BMQGBWFRVGBNQQ-ALXJQNPVSA-N 441.488 0.750 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818717 ZRLCGXUFRZTSIV-PCVCZEQXSA-N 438.525 0.410 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)c1 1798576724 KRDTWYIVULVAOO-MXNKGDRCSA-N 449.511 0.735 30 20 ICED O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799082763 WVYTZZQFJNCBQB-JWUULAPQSA-N 436.472 0.574 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)ccc1F 1799324361 FJBDPPFZEBUDNM-YVWYUNDQSA-N 425.420 0.639 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799687738 LREANJFGYBFUQN-GLZFBBPNSA-N 437.456 0.860 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O 1800750944 HTYXRDIKAACUFX-FLNBYBTLSA-N 445.516 0.828 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1801597725 UXPSVLDRTSAEDY-QKPAOTATSA-N 434.541 0.414 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803914098 XNXMZZDNBUSGRM-CDMIOBSGSA-N 438.484 0.441 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806767175 VPWAWIYDDWNQFE-WMZOPIPTSA-N 435.550 0.414 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1808746676 PAWUPIYSXYTCAO-OSEHTEPQSA-N 439.516 0.567 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964105 RHCDCFPDPFFCST-INIZCTEOSA-N 442.520 0.836 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812388618 LQVOXARHSOWNOR-UAGQMJEPSA-N 436.534 0.585 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@H]1c1cccnc1 1813042758 BWOYEYWLGZKPNP-ZQNRLITLSA-N 444.561 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813131269 FIERWYFOOASLTL-NXLXKIKMSA-N 439.516 0.472 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)S)[C@@H]2c2cccnc2)c(=O)nc1O 1814037190 KSYKYJDYHUUHAE-UKPHBRMFSA-N 431.518 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C(=O)NCC(C)C)sc2C1 1817320733 MPJVGHPAHGOXST-WSROAFLRSA-N 433.534 0.686 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)CC1 1818963759 KGXTVTCIXPIOLC-IBGZPJMESA-N 426.521 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1819718231 UWRVXCZPJQWVFU-MFKMUULPSA-N 444.517 0.831 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824511579 LFUBZFXQUUSMOI-ICSRJNTNSA-N 425.570 0.484 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)C1 1829663727 OKTNJEKVVPUMBB-JOCHJYFZSA-N 428.489 0.234 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)C1 1829669884 LPFPMGIODLMISM-QFIPXVFZSA-N 439.472 0.126 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1831395959 DIKUJGARAAUFMT-MGPUTAFESA-N 432.502 0.504 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831397295 WRPLQFSMZTWNCY-JTSKRJEESA-N 426.473 0.443 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)nn1C 1831491655 DBBAKEWIDDEMHC-APWZRJJASA-N 426.539 0.453 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831493314 QXIFVFQVXHYJFP-UZLBHIALSA-N 436.534 0.431 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831497248 BGDXRTKLGRHBOV-HYVJGQCMSA-N 429.517 0.964 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831834712 ZWZHNCODLVINJK-KPSNGJBRSA-N 446.504 0.989 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831990713 QNCGATWAADKFEQ-ZHRRBRCNSA-N 440.537 0.748 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)cnc3O)CC2)CC1 1833024954 RJBXVQGFTSZYRV-UHFFFAOYSA-N 434.880 0.714 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833473844 NRHXKSCCTAUSDG-LJQANCHMSA-N 436.597 0.871 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833897237 COHRMCUJFYVJJK-UHFFFAOYSA-N 430.557 0.282 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1834085431 XDRGMCCFUYEVOI-QHCPKHFHSA-N 442.516 0.554 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834676303 ZTQHVWJSPCFVIW-INIZCTEOSA-N 429.512 0.362 30 20 ICED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835235559 YBEKIIAUVMKPRS-JOCHJYFZSA-N 431.489 0.602 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1835359257 ADSUAJFETGBTIO-QFIPXVFZSA-N 445.472 0.209 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c21 1835359792 ISTYCFXLRXBPKA-NRFANRHFSA-N 427.461 0.653 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccc1F 1835672344 ABZOPQVKCWNABE-JOCHJYFZSA-N 447.511 0.881 30 20 ICED O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)C1 1836520440 GTTYFLDKYCPGCD-YEFOHOTDSA-N 432.498 0.923 30 20 ICED O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)C#CC5CC5)CC4)CC3)cc21 1836823607 PFWORSYCERACDQ-UHFFFAOYSA-N 439.516 0.652 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1836868459 VVUUFDUIFLKXGI-OXJNMPFZSA-N 439.553 0.727 30 20 ICED Cc1cccc2[nH]c(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc12 1836920038 WXMHPXBBEDXGEP-QFIPXVFZSA-N 425.441 0.634 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)N1C[C@H]2C[C@H]2C1 1837286602 JYTYKXREJUMDNY-RIGYDKCMSA-N 444.532 0.495 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1)C(F)(F)F 1837882910 QJAKZFQRHBOSIO-OAHLLOKOSA-N 434.459 0.696 30 20 ICED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1C 1838149929 LMRMQZHOQMOMDN-ZZAWEDPDSA-N 446.552 0.753 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1838582271 IPFATECUNCLUPO-OAQYLSRUSA-N 441.444 0.379 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736238 SBJOPFBYQMZZRG-NRFANRHFSA-N 442.476 0.113 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)c1cccs1 1839235761 MBZCDOUBISUCTA-WUUFJKRQSA-N 445.501 0.235 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839387931 AFXSEKNBERDIQQ-QYWGDWMGSA-N 441.525 0.498 30 20 ICED Cc1cc(C)n2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2n1 1839627347 SJKCIWVUSAACEA-JOCHJYFZSA-N 440.456 0.109 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1)C(F)(F)F 1839670483 KKOGOZBUVXTESJ-KRWDZBQOSA-N 446.382 0.136 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840361265 USZDXWIYGAFNBS-KKSFZXQISA-N 434.562 0.890 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(C#N)cc12 1847823942 USZYUNBLJUGFIW-ZLIFDBKOSA-N 429.502 0.931 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1=O 10851099 NNVLBQCIQYLBGO-UHFFFAOYSA-N 434.430 0.483 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)c1 431991334 JPZDQGASAUDQDU-ZDUSSCGKSA-N 443.485 0.857 30 20 ICED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 438685665 BGDAQTCFRHCRKN-ZIAGYGMSSA-N 433.490 0.620 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cn1 445729013 YLLPOUCOWRCZNK-UHFFFAOYSA-N 427.430 0.093 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCCNC(=O)c2cccc(O)c2)cn1 460611013 ZOUUVBRSIGIBPU-UHFFFAOYSA-N 433.428 0.719 30 20 ICED CCCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 464863775 ZIJSQEYDZOGFTF-DLBZAZTESA-N 434.566 0.675 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471069106 MVPKZIZJLCYBHL-UHFFFAOYSA-N 441.488 0.525 30 20 ICED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472890700 XEDBEPPKQKNNRZ-UHFFFAOYSA-N 440.460 0.439 30 20 ICED C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474856083 YPONRZPEMUNBNE-CQSZACIVSA-N 428.536 0.397 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 475481777 ODJOJBKVQJCOBK-UHFFFAOYSA-N 438.550 0.660 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 476251360 PQKRYSPMRSYGHK-LJQANCHMSA-N 436.472 0.743 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1Cc1ccon1 477340394 SYTXZUUMLDRCRI-UHFFFAOYSA-N 442.472 0.659 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccon1 480954420 DLQBNTLPTJXREB-UHFFFAOYSA-N 442.497 0.893 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481155291 KTZQZPAYRBGXCF-ZMSDIMECSA-N 436.534 0.615 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1 484592715 RVFHLZCFRQBHMI-UHFFFAOYSA-N 429.523 0.312 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265944 OZEBLGMOARKWOF-VQTJNVASSA-N 438.532 0.607 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 489012423 MURZZTHXGZJCRS-GFCCVEGCSA-N 438.490 0.988 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCN2CCOCC2)c1=O 489033124 ALGWKQKMYASMHC-INIZCTEOSA-N 443.525 0.252 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnnn1-c1ccccc1 502109896 YVHUAEWOQZHQDQ-HNNXBMFYSA-N 431.460 0.455 30 20 ICED N#Cc1ccc(C2=CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)cc1 502546006 ZXWSRHWTYASCRB-UHFFFAOYSA-N 437.544 0.650 30 20 ICED CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)ccc1F 508333457 ROKGCUVRSWQSHW-UHFFFAOYSA-N 437.457 0.121 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 517344413 DRKJKENOCTVISB-CYBMUJFWSA-N 440.489 0.240 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 527030456 PLSSWAGIILHANA-JTQLQIEISA-N 437.930 0.609 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2)C1 538112884 VVFKFOMXFJTIIL-UONOGXRCSA-N 436.490 0.475 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1C(F)(F)F 540470883 UPOYOOCWYIBAJZ-SNVBAGLBSA-N 426.442 0.771 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 541203055 NNCMIUQIIPKKBF-QGZVFWFLSA-N 438.488 0.582 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)CN1CCOCC1 543928561 SZFFSKGMJRCVEH-FQEVSTJZSA-N 446.895 0.535 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 561429811 XCAAKXXBNIVDFY-UHFFFAOYSA-N 447.542 0.998 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2c1 567533714 UVGGIMNSRGGRCO-UHFFFAOYSA-N 437.456 0.921 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 589034867 WQGHYORLVLTLGL-OXJNMPFZSA-N 449.515 0.246 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119799 NCZXHEJPBOCWFO-UHFFFAOYSA-N 431.539 0.505 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 604270071 OQYGMCJTVPCDGY-UHFFFAOYSA-N 446.479 0.402 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606029017 WRCDYYSMRSLDSO-UHFFFAOYSA-N 447.495 0.615 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1Cc1ccc(OC)cc1 611078443 ZRJGYPFEIMLWLA-UHFFFAOYSA-N 449.536 0.988 30 20 ICED CNCCCc1n[nH]c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1C#N 611166537 CYYVXXCJJIFHFR-UHFFFAOYSA-N 435.510 0.045 30 20 ICED CN(C)CCNC(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 730092701 PVMKJGLKHFGIGL-UHFFFAOYSA-N 443.529 0.333 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCS(C)(=O)=O 732796564 GXLRITMLFIFDCE-UHFFFAOYSA-N 436.559 0.460 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 734291179 JHEVYEFYFSLNSH-UHFFFAOYSA-N 428.382 0.876 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C)c1=O 743726256 KVUDCXWKOLTLBR-UHFFFAOYSA-N 434.543 0.073 30 20 ICED COc1c(F)cc(CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1S(N)(=O)=O 746573928 SHPXXLDZTYCHPV-UHFFFAOYSA-N 435.433 0.755 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(=O)N(C)C 746600760 QRFCEMKPYXOBMV-UHFFFAOYSA-N 436.493 0.549 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)cc1C#N 752410192 CBSDWFPNCDONHZ-MRXNPFEDSA-N 432.433 0.838 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 754355442 DFYGWURPNBIBCB-LSDHHAIUSA-N 434.518 0.792 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 756319158 ZKOQDOTXANIXIQ-INIZCTEOSA-N 430.480 0.931 30 20 ICED COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 757291137 QOZNQMVCRJFTRQ-JCMHNJIXSA-N 438.506 0.753 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 758354942 USYZBCZTTPTINR-JKSUJKDBSA-N 443.508 0.771 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCOC)c2=O)n1 763298897 CJNFYMRAPQEEAX-AWEZNQCLSA-N 446.529 0.004 30 20 ICED CO[C@@]1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCOC1 764455377 ZNFMGJHYILGQKB-OSEFQUDUSA-N 438.506 0.360 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)OC)CC1 770249697 ASDZRNXDEYWKQO-OAHLLOKOSA-N 437.518 0.810 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCC1 777365593 NLMZUOKJZNQTKA-CYBMUJFWSA-N 428.511 0.642 30 20 ICED CCc1nnc(S)n1CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 780101015 CJQVGFGTXNVHEH-UHFFFAOYSA-N 425.478 0.396 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCN2CCNC(=O)C2)C1=O 781103836 BWUQGSOVJJUWOW-OAHLLOKOSA-N 448.936 0.711 30 20 ICED CN(C(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(C#N)CCCCC1 789116465 DPOJYDBMRIEAAJ-IBGZPJMESA-N 434.493 0.830 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 806399421 NNCHDLBLMXRFKI-QGZVFWFLSA-N 436.520 0.203 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cn3ccccc3n2)CC1 810719924 AAXSVNIYTUDRSJ-UHFFFAOYSA-N 438.513 0.717 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccon1 814249859 BXICPNIOFAHSFS-UHFFFAOYSA-N 448.455 0.437 30 20 ICED COc1cc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 821739970 URRFKXGLHBNZPG-UHFFFAOYSA-N 433.442 0.924 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 918729682 GOGHOJQVZHIPTR-UHFFFAOYSA-N 447.520 0.351 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cnn(C)c1 919131787 JVJIZXUPPAHRMO-ZDUSSCGKSA-N 426.520 0.906 30 20 ICED COCCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cc2S1(=O)=O 919541311 FYBYXIZIQGQDAW-LJQANCHMSA-N 435.458 0.443 30 20 ICED CS(=O)(=O)Nc1cccc(F)c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1252815295 CNWLKMUTDFCTEE-UHFFFAOYSA-N 440.478 0.552 30 20 ICED CO[C@H](Cc1ccccc1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1315176834 JOJVMVFSPQQPNA-NXHRZFHOSA-N 448.549 0.875 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1360680782 IKLKNXLVXPCZCG-VUCTXSBTSA-N 426.474 0.831 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1360785098 PKZOJPOLIWUUIV-VQTJNVASSA-N 430.534 0.944 30 20 ICED C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)CCO2 1545151576 QDMUGQZIKQOVSM-YWZLYKJASA-N 446.533 0.750 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1554505268 TZAXVZLPCAANMP-UHFFFAOYSA-N 429.550 0.898 30 20 ICED CNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1635330119 ZXTVMWOOYDQJOP-ZDUSSCGKSA-N 425.898 0.173 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1698029678 ZFAZEGFHSOMSEV-FQEVSTJZSA-N 441.536 0.736 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@]3(O)CCOC3)CC2)c1C#N 1707808095 ZIHJWGIFMQZLGF-OAQYLSRUSA-N 428.541 0.868 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1730409263 ZKGWIHBFXOMSHQ-BZUAXINKSA-N 427.465 0.706 30 20 ICED Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751345794 QAQNLXBBTBROQC-STQMWFEESA-N 425.540 0.625 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1765923578 PTYUULYCVZJMSM-HNAYVOBHSA-N 439.538 0.626 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)CC2CC2)cc1 1770741030 SURVRDXNAMBBTR-UHFFFAOYSA-N 444.517 0.490 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1778154682 XNYRISOICZMQBL-JOCHJYFZSA-N 426.473 0.773 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1779067325 SIHORXQOARPQKY-UWJYYQICSA-N 438.546 0.092 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(F)(F)F 1779100788 YHMGFOBKTVNFSC-HZERPVDISA-N 437.415 0.659 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779101586 OCTDQNGCDJKXSQ-JFVAUKISSA-N 443.464 0.097 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443780 HSBRZKXAXUVNDA-ZEWNOJEFSA-N 426.517 0.995 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368885 CJRVRUJHDRAGBZ-KNQAVFIVSA-N 447.536 0.270 30 20 ICED O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787015285 HIKXFDTWIOKGBT-FGEIPSIWSA-N 446.504 0.357 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc5c(n4)OCCO5)[C@H]3C2)c1 1787383492 XNIYZESTWNIREY-DOXZYTNZSA-N 437.456 0.960 30 20 ICED C=C[C@H](O)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 1788576589 VWTILYIDNQESTF-DQKQSUEQSA-N 426.510 0.155 30 20 ICED Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cn1 1788656202 KPAUFHFEGLMYLO-NINDVERBSA-N 431.493 0.907 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 1789372152 VRFRIONQXACIJU-IGGJEDBVSA-N 437.500 0.899 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)cc1 1790143141 AWBFMMNTBQDYFR-BZSNNMDCSA-N 448.483 0.549 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)CC)[C@H]2C1 1790818281 NPQVMUHWAZRUEG-CUSZFKRNSA-N 435.521 0.862 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C[C@@H]21 1791077578 KRZFCXRPPZULNQ-BQFCYCMXSA-N 425.441 0.253 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1792489148 JYLOUBNDJXMKHF-GWUNTCDZSA-N 438.484 0.243 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)cc1 1794090537 AAXCMTIPYYMBIL-REPLKXPHSA-N 430.530 0.540 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1795598430 WEGGPUXEIBOWDK-JSJNYSNDSA-N 442.516 0.698 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)n1cccc1C=O 1795749160 DJHCDIGNHFHTTM-YZUDJZJMSA-N 429.521 0.923 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801990153 NRKGSPYXWNRKHK-QEOTZNIISA-N 449.504 0.331 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1807142852 HEQJMJWBEJAPAV-CMKODMSKSA-N 440.548 0.895 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807150760 OMGLDITXDUJJSE-SJLPKXTDSA-N 430.509 0.725 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695659 MCFYHDBPAWOUPG-IAEMXSNLSA-N 445.520 0.339 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1808440683 NJVMRENXJSIPGN-SQGPQFPESA-N 445.520 0.190 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812529594 AQPXDYMZGAGHPR-JENIJYKNSA-N 430.505 0.996 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)n1)CC2 1814978443 PLUWHHWDFWVEJB-SNVBAGLBSA-N 445.505 0.852 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)[C@@H](O)N1CCOCC1 1819446480 RAUCHUVZEHTSOL-ACIVSAMGSA-N 444.492 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1823749237 KGYZTEKIOZNVBB-MJRGOJFPSA-N 442.516 0.390 30 20 ICED O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)C(=O)N1 1828995797 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832160733 OEFURZFMDNFUNG-VHSSKADRSA-N 438.443 0.329 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833144731 LEDMDLQVESXTCN-SFHVURJKSA-N 437.585 0.402 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833267250 LMTMDNCKXPBAIS-SFHVURJKSA-N 425.800 0.032 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427919 DVUOBMYMLQAHPM-OAQYLSRUSA-N 447.532 0.466 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833628571 VSCHPLJJLZZNBR-BTYIYWSLSA-N 435.452 0.338 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cn5ccnc5)CCO4)C3)c2c1 1834388737 VNTUENYIWFSJBD-QFIPXVFZSA-N 449.471 0.401 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1834602634 HCZVDKPLGNZUIT-UHFFFAOYSA-N 426.521 0.687 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111182 AGJLIYSGFHKFLY-GUYCJALGSA-N 434.566 0.664 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1Cl 1835124893 PMYHFHYFTGUMLW-HRAATJIYSA-N 446.891 0.560 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4OCCO5)C3)C2)CC1 1835342138 RJFCSNYLMQJLOD-QFIPXVFZSA-N 427.457 0.832 30 20 ICED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1835510551 PPUYKNILHYPRTR-UHFFFAOYSA-N 443.592 0.136 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835677143 JBQRJOCHTYPFKW-NRFANRHFSA-N 447.540 0.211 30 20 ICED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccc1O 1836303299 JPEKDDXVOCDGIR-UHFFFAOYSA-N 429.473 0.674 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)C1 1836424745 ARNJKXBYEXGMEQ-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524789 MYKZSOHMMXGXHS-CRESJJQNSA-N 449.508 0.502 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837524992 RCWQJROOTZHNRP-SKPKZUESSA-N 449.508 0.328 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)N1CSCSC1 1837570166 GCYLYCKWNMRIAR-YJBOKZPZSA-N 428.580 0.790 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)c(C#N)c1 1839131958 KEAZTWZQUORGQS-ZHRRBRCNSA-N 430.505 0.161 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839225108 XXFOIGQCGPJTHE-GQIGUUNPSA-N 426.514 0.111 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cnnn1 1839363947 FGJCPFULFQKFQX-IIBYNOLFSA-N 439.476 0.070 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840166399 GUFHUEBWIBFRJP-QFIPXVFZSA-N 425.489 0.691 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)c1ccccn1 1840501485 IYYIWQHZWUNBAO-MBSDFSHPSA-N 443.548 0.923 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813205 MKXFICAVTYKCNE-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1843974144 QTXAWUYRBALOFO-UHFFFAOYSA-N 430.549 0.053 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)CC1 1844314601 ZRMDQNUNFMMQRZ-CIAFOILYSA-N 436.534 0.574 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C[C@@H]2C1 1846196925 CXEYNBHOJGIBAX-QRQCRPRQSA-N 431.489 0.925 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)c1ccc(O)cc1 1848070585 IYJMPNRIXPHQLQ-NEWSRXKRSA-N 438.484 0.643 30 20 ICED Cn1c(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c(C#N)c(=O)n(C)c1=O 97002296 SVWCURBPYTZMCW-UHFFFAOYSA-N 441.517 0.822 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 436124469 OBMZLFZZZATDMZ-ZDUSSCGKSA-N 428.898 0.524 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)n1 441722749 CWKRPGGQQQVCDU-RTBURBONSA-N 440.479 1.316 30 20 ICED COc1cc(C#N)ccc1OCCCc1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 445534749 VHTVNFCSICAZTM-UHFFFAOYSA-N 434.474 0.761 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 471456186 YEEFKKCWIMQAMX-PBHICJAKSA-N 429.456 0.730 30 20 ICED Cc1nn(C)c(N2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)CC2)c1C#N 472426185 AUHUOZLSPKJVHI-UHFFFAOYSA-N 444.565 0.258 30 20 ICED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 474813763 WMOYXZAGPFITGI-UHFFFAOYSA-N 438.506 0.626 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1O 475515899 GZTDCZLVGPZXQO-KRWDZBQOSA-N 447.513 0.860 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 480430317 VWNJVIQDLGRHEO-INIZCTEOSA-N 442.545 0.688 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 480941055 VYEOGEKQGGONQK-UHFFFAOYSA-N 436.493 0.910 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccon1 480958039 HMIBTALYFMFKQJ-UHFFFAOYSA-N 442.497 0.893 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 480998068 KWXMZCLVDXTJSS-CYBMUJFWSA-N 437.503 0.867 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCN(C)CC2)c1=O 505662621 OKXAADAVPDLKJN-UHFFFAOYSA-N 428.562 0.246 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 507977131 TXNODVJBTKUOHM-ZDUSSCGKSA-N 443.547 0.514 30 20 ICED CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)c1 508960339 QMPWKZTZQCKWEI-UHFFFAOYSA-N 430.442 0.577 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 508983820 CZMNDTFIMJQTGM-CYBMUJFWSA-N 441.366 0.517 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CCSC)c1=O 512719981 HOUZOPHKEXVTQM-UHFFFAOYSA-N 435.575 0.145 30 20 ICED N#C[C@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@]12C(=O)Nc1ccccc12 513998308 AWUGSAOISCGEOS-GAJHUEQPSA-N 446.515 0.654 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 524485784 JZCGNROLHZYSKK-MRXNPFEDSA-N 443.479 0.754 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(N)=O 543656716 IUXLPPVWZLLYKZ-UHFFFAOYSA-N 443.485 0.031 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 553148336 MYIRRJYLQSKNIW-GOSISDBHSA-N 440.548 0.524 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 563800157 LGFPMRVCMSNGOR-LJQANCHMSA-N 426.565 0.855 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 569466964 OSJQUSNRIYMEBR-HNNXBMFYSA-N 437.460 0.175 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)n1 582260820 OAHYGUUAMWOCNH-MRXNPFEDSA-N 435.488 0.511 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)c(F)c1 588193683 SIIHFFRVXRUCTF-DLBZAZTESA-N 442.495 0.845 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CN(C)CCO1 589138733 GTKLNPXUWDKJCY-YOEHRIQHSA-N 442.476 0.290 30 20 ICED Cn1c(=O)c2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cnc2n(C)c1=O 590957030 QEZJPCQVDKELDB-UHFFFAOYSA-N 442.457 0.076 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1CC(N)=O 607947591 BCCVJBFUUQYFJE-UHFFFAOYSA-N 435.452 0.767 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609038458 GGLYTVMAQWHDEX-UHFFFAOYSA-N 438.509 0.796 30 20 ICED O=C([C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 729369367 WSWDEJJJOSDUJT-QGZVFWFLSA-N 448.545 0.745 30 20 ICED C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 731861827 PTNBKTVGLMDHSH-OYCNQPLYSA-N 431.493 0.766 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sc(C)nc3C)c(=O)n2C2CC2)CC1 736582094 HUHIHRCZZLCFJN-UHFFFAOYSA-N 443.598 0.985 30 20 ICED C#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 744364561 NFSUEVPCRQULNA-UHFFFAOYSA-N 437.562 0.751 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)Nc4ccccc4S3(=O)=O)CC2)o1 750010357 TWKLCILHUSSXMV-UHFFFAOYSA-N 430.446 0.740 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N 752298171 BITIDBLLGGAXIJ-UHFFFAOYSA-N 438.510 0.825 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)CC)CC2)c1 754671046 YDVFIYXSMYBYRG-UHFFFAOYSA-N 427.548 0.390 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758751646 KIIZCPWTSVRSBE-GVDBMIGSSA-N 434.541 0.693 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[C@@H]1CCCO1 773792980 FLTZMYBJUNCKMX-HOTGVXAUSA-N 434.880 0.394 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cc1 774375776 DMKJOLQRMOLCJA-LTGZKZEYSA-N 436.490 0.413 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 774433447 HYNXTIFZKLOVAW-KQWNVCNZSA-N 448.509 0.021 30 20 ICED CNS(=O)(=O)c1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)co1 791171662 WLJDXZGVGUKYIQ-UHFFFAOYSA-N 429.252 0.984 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797261850 WIOJCFPUILZHSW-UHFFFAOYSA-N 437.566 0.999 30 20 ICED CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCNC1=O 799846431 KEZFARBWHPBDHM-QIIGAIICSA-N 435.506 0.175 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc2c(c1)CC(=O)N2C 804572535 XJHCFFQVHKRNMB-OAHLLOKOSA-N 432.484 0.998 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807349252 DUDVJCIAVHFVLE-OCCSQVGLSA-N 426.470 0.891 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 813948046 CDSYZHDSHCLXFK-UHFFFAOYSA-N 432.458 0.869 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCC1 916866862 KCACJQALZDOYLC-SFHVURJKSA-N 446.529 0.631 30 20 ICED N#C[C@@H](C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917014106 SVRDSZSKLFTMDA-PBHICJAKSA-N 434.474 0.777 30 20 ICED CCN(CCC#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 919019254 IQXJCFNXBWAPRZ-UHFFFAOYSA-N 426.495 0.998 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1303628049 RPHCARVNFQZQAW-OAHLLOKOSA-N 446.533 0.946 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCS(C)(=O)=O)n1 1304759212 HCGBVBJOLRWRID-SFHVURJKSA-N 446.581 0.751 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1316102588 XLLASAMWTVHOEZ-IIDMSEBBSA-N 427.527 0.087 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CCNC4=O)CC3)CC2)cc1 1317912374 WRJLXPZBRCPJNC-UHFFFAOYSA-N 445.545 0.975 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CS(C)(=O)=O)C1=O 1318560548 BEXLUUGJBCZLFS-MFKMUULPSA-N 426.520 0.286 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1319070498 DIGVLEWYNVFSEI-MRXNPFEDSA-N 429.525 0.938 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1505140698 YLAYAXJBYLHJFA-IAGOWNOFSA-N 443.533 0.552 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccn(C)n1 1510218353 MYEMGSUHNWZTTE-PBHICJAKSA-N 447.569 0.041 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1545145979 NHBGLXMZFUXXLT-MGPUTAFESA-N 446.533 0.438 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)N(C)C)n1 1612501584 SYLBWGVSGUXWJN-UHFFFAOYSA-N 448.535 0.821 30 20 ICED CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNS(=O)(=O)CC 1614023912 OQOGFCVFMSCTTL-UHFFFAOYSA-N 448.553 0.843 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1668532089 KHYOWADAQWCBEV-UHFFFAOYSA-N 448.491 0.982 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1Br 1669645688 QJKKSILTADYSJY-UONOGXRCSA-N 435.321 0.897 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1710140397 YXUKMXGNQAMNAZ-OAHLLOKOSA-N 425.559 0.782 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1729373970 RKRSZRVIQMXYHR-UHFFFAOYSA-N 435.492 0.794 30 20 ICED C[C@@H](CN1CCOCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1741875561 PNOLIOAGAVRFNG-HOTGVXAUSA-N 439.586 0.597 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1763267387 MHDPXNKRSBDNDD-NQYLQCIDSA-N 431.518 0.980 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1780172900 KHFGHELZAMHVPK-NRFANRHFSA-N 426.429 0.804 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1Cl 1780190042 GVWGTONRGYPXRO-FPOVZHCZSA-N 448.907 0.306 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C2 1780735290 QEHLUKGOHTUYFA-GSHUGGBRSA-N 437.537 0.924 30 20 ICED COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccc1[N+](=O)[O-] 1782017255 FEAWAEQRPZCLBX-DYESRHJHSA-N 445.428 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21 1783530587 IXSKPOMPOVPUNJ-MZUPBALQSA-N 429.473 0.550 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1783917849 QWYPSZOODFCCDL-NRFANRHFSA-N 428.526 0.479 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)N4CCCC4)[C@H]3C2)c1 1785001612 IBLNFTDGEDVZMI-LNLFQRSKSA-N 427.505 0.882 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)n1cnnn1 1785382043 NYGLGDXAAFTDPQ-MGPUTAFESA-N 425.449 0.015 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1785578325 XDRYVTOOOGMMSP-HOIFWPIMSA-N 435.521 0.769 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CSC(=N)N)[C@H]4C3)c2c1 1786778337 IMLVIWGIYJTNFR-NOLJZWGESA-N 441.517 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nccn4c3)[C@H]2C1 1788050795 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0.774 30 20 ICED COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794728630 ZJEVUVJTXVUUPM-XEMDLRDOSA-N 427.501 0.992 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cc1O 1795597742 YJEXTBMYFYSTOK-UPHUGPLXSA-N 444.532 0.815 30 20 ICED 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 1796083812 GTCBCQJZHBLRQN-BQJWPVKWSA-N 449.552 0.134 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1797145848 YLFXYVRQTJRBCE-ALXJQNPVSA-N 443.504 0.956 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccnc2c1OCO2 1798471822 OAAFOSITECOKNU-POYFCOPNSA-N 429.477 0.485 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)nc1 1798693409 VSLKXUJPUKRRHQ-ZSBFGKGUSA-N 443.485 0.202 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1799305262 ZFKXHJGUOIIHPL-BMQTXXJKSA-N 430.505 0.571 30 20 ICED C=CCC(=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 1801002190 WXMVQBFXQGMHKY-YALNPMBYSA-N 425.526 0.816 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)n1cnnn1 1801436344 CIXYINCWFQIOOJ-ZKPVWFECSA-N 430.490 0.324 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1802487104 FSHLBNWWYQXIRB-JCHZHDRDSA-N 435.484 0.893 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC#N)[C@H]2c2cccnc2)CC1 1806866832 PQGMMEODKSZDFA-DENIHFKCSA-N 426.521 0.555 30 20 ICED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c(C#N)c1 1808173601 SQJNLXDSMIJBEH-PIPMEXSNSA-N 436.516 0.496 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]1c1cccnc1 1808851953 AJLZDSBPQWMWGQ-KNIMUDFMSA-N 449.508 0.953 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)CCC1 1814050853 ANCWXECLCDFFBR-IPMKNSEASA-N 427.505 0.432 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)cc1 1822163308 PBFIWNLWRODFTQ-UONOGXRCSA-N 426.502 0.833 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(=O)c4ccccn4)C3)C2)C1 1829671586 BRPLOQOGYMXXLZ-SBUREZEXSA-N 442.516 0.623 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1829769291 RBVVRZRGLZODAN-QATSOJGNSA-N 446.504 0.090 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829919174 MDHCAYHKDHSCFN-IFPAPICYSA-N 439.509 0.541 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1830177286 FEIKTIGQOKOFCK-HXUWFJFHSA-N 435.502 0.464 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc(F)cc2F)CCO3)c1 1831965879 KMBVFJDRUXVBOB-HXUWFJFHSA-N 431.399 0.943 30 20 ICED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832314572 USYYCHBNCHTWGA-QHCPKHFHSA-N 436.549 0.957 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1832447420 WWNKKSFXQOHRLA-HXUWFJFHSA-N 427.567 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(C)n1)CCO2 1833459088 PBKFOOOUEJGUJU-ICTHTSFCSA-N 446.479 0.458 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833554121 UINYMIXKFDILKG-SFHVURJKSA-N 431.537 0.941 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567555 OWROHBFRFQFHBI-MGPUTAFESA-N 438.456 0.444 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833704888 HCJKSEORXOWJAV-UHFFFAOYSA-N 448.589 0.792 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)n1 1834088834 VLLIUBNJZIFJSS-LPYMAVHISA-N 427.509 0.712 30 20 ICED Cn1ccnc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834269539 QIWCFSGLYHARBO-UHFFFAOYSA-N 429.569 0.887 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767365 HIOMBUUOOBKZJH-QYWGDWMGSA-N 436.509 0.660 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1835101691 HYIDJLPVKISZIC-XMMPIXPASA-N 434.496 0.917 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677676 TZJZBQNALGGHSQ-JOCHJYFZSA-N 429.521 0.742 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835706738 QAYFCPWGTCBHMU-HGHGUNKESA-N 433.509 0.339 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836138685 WRZCTWCXQVEPAI-UHFFFAOYSA-N 443.552 0.237 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)c3cnnn3C)CC2)CC1 1837230987 ARYHPEVUFBYUSW-UHFFFAOYSA-N 433.509 0.937 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489805 VNQUJWMPEPLEKW-JOCHJYFZSA-N 436.505 0.095 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524837 OSKOBFXSHHWTCF-YTLJWTSXSA-N 436.465 0.582 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837528415 JMGPEISIIHRKHZ-VJIOCRDPSA-N 446.504 0.989 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(O)n1 1838671514 LPQNIHJLVLEEFY-IGPUNGKJSA-N 445.520 0.637 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824985 CSONDGQCRQJSNN-MAUKXSAKSA-N 426.495 0.947 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cn5ccnc5)C4)C3)c2c1 1839487765 WNPSBRYXQCIBCI-QFIPXVFZSA-N 449.471 0.401 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3cccc(Cl)c31)CCO2 1839743141 XWVYMMUVLFWUNI-ZHRRBRCNSA-N 446.887 0.914 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839808438 RJSMIQJZDCQJMC-VXKWHMMOSA-N 435.521 0.723 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840293227 NFWXRJCZPOTRNT-QFIPXVFZSA-N 425.489 0.993 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C4(C#N)CC4)C3)csc2n(C)c1=O 1842808455 FUTAGZAYSJJJAZ-UHFFFAOYSA-N 441.513 0.348 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC(N)=O)C1 1843340307 PZEBTZDOYSEPHD-CABCVRRESA-N 435.525 0.553 30 20 ICED O=C(NCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)c1ccc[nH]1 1844299066 AIBNOPVRXKWKLN-NZYROCMPSA-N 431.493 0.867 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844797460 FTXZVOQAUDPROD-HNNXBMFYSA-N 444.492 0.472 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1OC 433685205 UZEBTWDJRVBHJN-UHFFFAOYSA-N 446.485 0.860 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1=O 440253459 HILFKPCFTQDWET-GOSISDBHSA-N 428.489 0.779 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 447263542 JMHQZQHWCIUYDR-UHFFFAOYSA-N 437.435 0.900 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)n1 471666536 BLLVKXGBNPNORO-HXUWFJFHSA-N 440.548 0.481 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 471805573 RVUVRGYTKPFYLJ-SJORKVTESA-N 433.534 0.288 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 476721528 USKXGIQEEYWDST-CQSZACIVSA-N 442.501 0.068 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)NC(=O)[C@@H]3C1)CCCC2 492661853 TTYZDGFIJZAOBM-KSSFIOAISA-N 440.504 0.592 30 20 ICED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 502062232 GEQBPYAVRFAJDS-UHFFFAOYSA-N 448.508 0.373 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCCO1 505700966 STCPOYLPELOFOT-HNNXBMFYSA-N 427.530 0.326 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 508497308 KSVABCFNWVNXMF-CABCVRRESA-N 426.543 0.292 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)[C@H](C)CC#N 509227092 XWPPCBMMIHYNPS-WBVHZDCISA-N 426.539 0.643 30 20 ICED COCCN(C(=O)CN(C)C[C@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514085473 WKAGGFRSCBHUQY-OAHLLOKOSA-N 428.493 0.650 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1C1CC1 514491017 JKUIFTOIXJQSLJ-UHFFFAOYSA-N 430.555 0.258 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)cc2)c1=O 522284190 ROEZIKRMFOCLFK-UHFFFAOYSA-N 435.933 0.865 30 20 ICED COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 539481890 AXSHAOYZZGTLSY-IAGOWNOFSA-N 440.591 0.592 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)nc1 550504873 CDMWMXKQSHRWDY-UHFFFAOYSA-N 435.488 0.150 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCN1S(C)(=O)=O 550587742 BIOCBWITQQKWGD-JTQLQIEISA-N 429.296 0.752 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 559064073 WIKNJSVAPGLZAD-AEFFLSMTSA-N 438.488 1.070 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 569168223 NBGOVFDLNJWOPT-UHFFFAOYSA-N 431.493 0.191 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 570427605 PZRBUYVANHSIJQ-LDJQZATESA-N 426.473 0.576 30 20 ICED C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 578977489 ABYYPVDOUQNGPY-SFHVURJKSA-N 432.488 0.854 30 20 ICED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)cc2)CC1 589427961 XWGHOLBYWAJJQT-UHFFFAOYSA-N 437.504 1.460 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2CCN(c3ncccn3)CC2)cc1 604102063 GMDFDWRSAOPAEI-UHFFFAOYSA-N 428.518 0.201 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccs2)c1=O 604270379 XFBCZWYCKXDMOV-UHFFFAOYSA-N 430.555 0.621 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 608858608 ZTVVYXZCGHSFAV-OAHLLOKOSA-N 434.561 0.590 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 677958610 KVSPTMUBPSZQSB-UHFFFAOYSA-N 438.431 0.927 30 20 ICED C=CCc1ccc(OCC(=O)OCCN(C)S(=O)(=O)N2CCOCC2)c(OC)c1 731290645 XHICLNJNQVFXHZ-UHFFFAOYSA-N 428.507 0.855 30 20 ICED N#C[C@H](C(=O)c1cccc(I)c1)C(=O)N1CCS(=O)(=O)CC1 732909755 FOKLLZBZRZDMNZ-GFCCVEGCSA-N 432.239 0.871 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cn1 746393887 DJFZNQWYFIKXME-CQSZACIVSA-N 434.453 0.454 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 755550422 JYGUHSTZBBAXGE-BPUTZDHNSA-N 432.481 0.876 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 756073623 QHXREQAVJNKNFL-IXPAQYDLSA-N 443.551 0.784 30 20 ICED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757289752 ADSRMGIUNLNQFE-AWEZNQCLSA-N 437.460 0.609 30 20 ICED N#Cc1cccc([C@@H]2CN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CCO2)c1 761188141 MGUSAFLQRUBJES-OALUTQOASA-N 440.481 0.911 30 20 ICED C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 779153625 IURYYLAMIFIZQE-HNNXBMFYSA-N 446.978 0.987 30 20 ICED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)c1 782961967 LMYWAXBMOQDKJM-OAHLLOKOSA-N 442.505 0.969 30 20 ICED COCCCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCS(=O)(=O)C1 782966861 LEBYPSNQUMEZCR-CQSZACIVSA-N 427.454 0.719 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 789789204 SCGZMXNDQRFFAX-UHFFFAOYSA-N 432.502 0.842 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccsc1 790438373 OASYGHNNUHSHDR-UHFFFAOYSA-N 443.554 0.833 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)[C@H]1CCS(=O)(=O)C1 799261312 XHYOEXJXIIDDHJ-YJBOKZPZSA-N 447.513 0.192 30 20 ICED Cn1[nH]cc2c(=NC(=O)C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)ccnc1-2 806839496 FFIQCHLFWMIBBJ-UHFFFAOYSA-N 443.471 0.669 30 20 ICED C#CCCN1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 809392375 QHJQMSJDPRTJSH-FQEVSTJZSA-N 435.546 0.995 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CN1CCN(C3CC3)[C@H](C#N)C1)C2=O 812283704 NJOBFQNTGGHZAJ-IIBYNOLFSA-N 432.525 0.938 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 814180875 RJWRXTIIQMANLM-QAPCUYQASA-N 446.529 0.377 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(O)C2=O)CC1 816693357 JBYKDATYBADHLC-CQSZACIVSA-N 426.451 0.410 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 838247524 VLUODKWWMHKILQ-CYBMUJFWSA-N 449.504 0.358 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)cc1 856433824 CTMCKRQRZRITNF-UHFFFAOYSA-N 445.501 0.447 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 914831714 BMCZYMLRVYUOGQ-HXUWFJFHSA-N 440.525 0.583 30 20 ICED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 920514134 UPIOPLYZZNAEJF-IBGZPJMESA-N 427.442 0.335 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1302497634 ZERJCRCYHUXAEW-QZTJIDSGSA-N 446.533 0.750 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1303867147 NHUCRAHQXOVMEU-QEORTHHSSA-N 440.551 0.586 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 1323547047 MHTRZKUULUUJAW-PKOBYXMFSA-N 425.489 0.944 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710417858 UTMMLYXSFARKBK-HNAYVOBHSA-N 441.554 0.608 30 20 ICED CNS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1729744367 ISGFIFJHQRTLJR-OAHLLOKOSA-N 429.506 0.628 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1779102284 GOLDPSYYMKMZJQ-DOXZCSRISA-N 433.465 0.458 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779470334 JYYVKDCHAUZETE-LBUQITIBSA-N 440.504 0.413 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779553267 CNTFOIUMUNPFOB-OZQHCQBDSA-N 439.553 0.225 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)c1 1780169092 NDIAKMFQPFLSCT-HSZRJFAPSA-N 436.468 0.872 30 20 ICED Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c2ccccc21 1780334254 IJANZORWOJWNKY-HSZRJFAPSA-N 448.483 0.683 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C3)C2)c1 1783931565 WHIHZIMESNVJNX-YADHBBJMSA-N 445.472 0.626 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784281419 JBNBHLVPDGWCRR-LNLFQRSKSA-N 442.472 0.369 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccc2c1OCCO2 1791075587 AXKKCGNIKZJURZ-ZVZYQTTQSA-N 428.441 0.448 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c(Cl)c1 1792582377 YKZCAYSJFFYFMW-ZTENYAIWSA-N 430.892 0.941 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1793351485 ZPIGWNUKKAQHLM-CWPLJXCYSA-N 434.493 0.285 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1793357964 IDQWTHYGSRYINK-VGZCRSJVSA-N 429.473 0.902 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)c1 1793947965 XSOBPDDKBVTFAY-ISGVQESYSA-N 439.472 0.115 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 1793982741 RJYZKYNBVWFCKE-OPOADAIRSA-N 441.484 0.613 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)[C@H]2C1 1795083869 OAULPMMBLDBKGU-PDDMAZILSA-N 448.520 0.372 30 20 ICED 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)N(C3CCCC3)C1)C2 1797707204 ZYUITXOHMKLXPX-JHLLAZCVSA-N 447.576 0.940 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797808359 CJBSGEIROAHWKF-JCNGBGPOSA-N 446.504 0.751 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1798497072 RFODTANYKQCJQD-FJRRIOMJSA-N 447.580 0.934 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O 1798779351 ZGTNMIZUOCYURV-XXLYBSINSA-N 431.449 0.956 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 1802058270 GDMMKIMBDHGXPC-PHXBYCTMSA-N 449.548 0.871 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1806022418 SGLHLPMRNVMGIY-OAHLLOKOSA-N 428.493 0.854 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695667 MCFYHDBPAWOUPG-ISBANFCZSA-N 445.520 0.339 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2c2cccnc2)CC1 1808405859 PCTNJVUHPSRPIC-IEBWSBKVSA-N 445.545 0.817 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1810357581 RSFVLWLXNSLIBW-WFMALZIGSA-N 441.492 0.908 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(=O)n4[nH]cnc4n3)n[nH]2)c1 1817470189 YZDFIFZCKRAHEI-OAHLLOKOSA-N 446.431 0.960 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819361015 NTMQJXIFHPRFOW-MCIONIFRSA-N 432.481 0.573 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)C1 1829666733 LIDKZJXLGJZFIV-JOCHJYFZSA-N 429.473 0.889 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccsc3)C2)C1 1829765171 JZHVGODGODESJI-NAMKQITDSA-N 447.557 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1829770530 WGUWYKIRNUBMGN-KKHYBRAUSA-N 449.895 0.058 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902185 KCQCGGQYDAOIPX-JOCHJYFZSA-N 439.472 0.750 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225682 XXZAPHRSUGGAQC-PWHSHALESA-N 432.517 0.836 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1833076065 RFWOTFXLFVWMKZ-WAYWQWQTSA-N 445.564 0.039 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 1833077012 MZCCIHDQSRPSSJ-CIJDKXACSA-N 444.576 0.984 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273953 ORMYBYRXACRMDB-QHCPKHFHSA-N 443.500 0.089 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1833706895 YARGCSQRMYJIBB-UHFFFAOYSA-N 441.667 0.961 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1833814033 VDMXZYXXRPBACS-QHCPKHFHSA-N 442.516 0.554 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccno2)CCO3)c(C#N)c1 1834153358 NHJKWAMJTVCGCB-JOCHJYFZSA-N 440.456 0.868 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356988 FOXADFPGNJGVMW-UQQIOGDDSA-N 433.484 0.762 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnc(O)nc4O)CC3)CC2)CCC1 1835070648 NWHSJAIOWOHUCH-UHFFFAOYSA-N 428.493 0.767 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835116327 IPHCIYIEDCPTNT-UHFFFAOYSA-N 438.594 0.397 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835362667 RCMSPZDQWFWXCU-UGKGYDQZSA-N 425.489 0.513 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835684610 HBQWWPNKZMRMBN-NJNPRVFISA-N 430.505 0.377 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccsc1)CCO2 1836000410 ACDHGLGEMZMWCR-DKYZEMOZSA-N 447.557 0.996 30 20 ICED Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1837230379 OHQDKLMQAGLVKF-VRMLFSPKSA-N 448.524 0.956 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441705 ADVFDAJLOONKEX-UQQIOGDDSA-N 446.508 0.027 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559973 KUYWFKFBAKPCMW-OAOKJSIISA-N 434.493 0.070 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564400 LGFLCPFZKDMTRP-OIUBOPETSA-N 433.505 0.728 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564490 RPSRNHYTZXUXHV-DIBYHMEASA-N 439.534 0.314 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837728083 SFRQKDXQJJSPAH-KNQAVFIVSA-N 437.537 0.362 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1oc(C)nc1C)CCO2 1837999471 BJSVLWXWIPROQJ-QEVIJRNUSA-N 432.477 0.220 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352461 JJFIVWFXLVBMIY-NRFANRHFSA-N 448.476 0.065 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838368123 PKZVRCGAJHFMRN-KRWDZBQOSA-N 448.568 0.891 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)c1 1838579574 RIFFSUXLJIWJSE-HXUWFJFHSA-N 443.485 0.802 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCN(C)C)C3)C2)c(C#N)c1 1839132019 NMZYBWZUQMLJOB-HSZRJFAPSA-N 444.532 0.517 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839223971 CYSHOTHKAQZPJW-FZKQIMNGSA-N 438.441 0.189 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)NCC(C)C)C3)C2)c1 1839452060 DSEBRAXWUUYVIH-QHCPKHFHSA-N 442.516 0.709 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H]5C[C@@H](O)C5)C4)C3)c2c1 1839488302 KDLYNLJJTLDODN-DMPWYTOCSA-N 439.472 0.275 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532468 HISBGUWLNLJIDC-JBMWNJKUSA-N 441.488 0.611 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681000 BFCGHIMNDYNIIQ-BEFAXECRSA-N 430.523 0.924 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839887867 SIAPJGIBAQBBLN-IBGZPJMESA-N 442.463 0.811 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1)C(F)(F)F 1839894298 UTNUCKYKSRCBSS-IBGZPJMESA-N 441.406 0.974 30 20 ICED Cc1occ(C(F)(F)F)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042959 YKPRWZWFIILGLO-GOSISDBHSA-N 444.362 0.765 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840140178 ROTJEXPPOBNFPZ-YVHKJVDXSA-N 433.505 0.748 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840165394 WORLGYSPYXLKTK-HBRHUWOESA-N 438.502 0.591 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1)C(F)(F)F 1840381132 CVYAGWXDUZIOBM-HNNXBMFYSA-N 435.428 0.472 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(NC(C)=O)c3)CCO2)C1 1840728721 UADJDRVCGCNGOJ-SBUREZEXSA-N 443.500 0.753 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1841747263 ZONOUNHSHSWSKO-GOSISDBHSA-N 449.596 0.907 30 20 ICED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154320 MPFGZNVNYYRZSH-AWEZNQCLSA-N 430.534 0.701 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)nn1-c1cccc(=O)n1C 1847803083 PMPJORUOVLCUGT-SQNIBIBYSA-N 437.500 0.733 30 20 ICED CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)NC(=O)N[C@@H]1C 25172272 NYJVTZNNOLZXGS-CQSZACIVSA-N 447.517 0.383 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 439381819 PLWSJQHGHBCREH-UHFFFAOYSA-N 440.548 0.502 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 443701951 AZRFNEFWBBRGAM-YOEHRIQHSA-N 429.516 0.917 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460692404 UCPYDOSWAZUAMJ-AWEZNQCLSA-N 425.449 0.173 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N(Cc2ccccc2)C1 460716832 INSUWNVIZWXCCL-UHFFFAOYSA-N 429.440 1.214 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NC(C)C)C1 460951634 LSLLOSKCYBJVHX-KGLIPLIRSA-N 434.588 0.371 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)CC2)c1C#N 461188290 ACYSAAVMBCJPBN-LBPRGKRZSA-N 438.535 0.944 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 464826126 YXEGQGLZFZZPCB-CQSZACIVSA-N 429.506 0.677 30 20 ICED Cn1ncc2c(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4C#N)CC3)ncnc21 471793068 YXWFQBXLELXLFD-UHFFFAOYSA-N 428.434 0.654 30 20 ICED N#C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1c1ccccc1 489146887 FXDFRRRASYUTCT-QUCCMNQESA-N 447.561 0.977 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 489355781 JTKUDCRGZIPRHJ-LBEKAKSKSA-N 449.558 0.727 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O 499942129 XETQJQVAQHIWDB-NVXWUHKLSA-N 425.576 0.983 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C(F)(F)F)ccc2F)c1=O 500483173 CIGBCFCMBSOFQJ-UHFFFAOYSA-N 441.406 0.967 30 20 ICED Cc1nn2c(SCC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)n[nH]c2nc1=O 502902735 PDLQDBIXRKKXAA-GFCCVEGCSA-N 430.519 0.684 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 518014059 CYJFWLQDPKLFIQ-UHFFFAOYSA-N 434.503 0.565 30 20 ICED C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)[C@H]1CCS(=O)(=O)C1 521476983 KRRZIXGPHJXRDR-CVEARBPZSA-N 444.579 0.629 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 523463137 XABFADPMESZZCO-CRAIPNDOSA-N 443.573 0.878 30 20 ICED C[C@@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)NC(=O)NC1=O 537254044 JEROORHXSJYACV-KKSFZXQISA-N 444.561 0.767 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 559913685 COZNZYOHPSACQE-UHFFFAOYSA-N 427.486 0.192 30 20 ICED CNC(=O)COc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 561513078 YQTBLIWLFOOSHV-AWEZNQCLSA-N 430.486 0.666 30 20 ICED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cncc(C#N)c1=O 570367378 REDBMMLBYNXNMG-UHFFFAOYSA-N 431.474 0.937 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 573593200 AFYAZYGTHAGLRA-NRFANRHFSA-N 436.512 0.993 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 575029163 ZPYMOKBCIGEPQI-BZUAXINKSA-N 425.555 0.734 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 575029165 ZPYMOKBCIGEPQI-OWCLPIDISA-N 425.555 0.734 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583924691 MZQWKQVEVOQEGM-KRWDZBQOSA-N 442.545 0.558 30 20 ICED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 615633173 URGCBAFZBVFTPP-HXUWFJFHSA-N 435.431 0.889 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)N1c1cnn(C)c1 617038228 XJJCOAPRUSJWMZ-CCKFTAQKSA-N 435.488 0.886 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2cc(Br)ccc2F)C1=O 623747977 GTTCHDKWTUFFKL-UHFFFAOYSA-N 442.241 0.886 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C(=O)OC)sc3ccccc23)CC1 731673542 VZUITZBNAUOSFH-UHFFFAOYSA-N 435.527 0.744 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 743909032 PCQUMEOJHQVDIR-OAHLLOKOSA-N 441.481 0.381 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)(C)C#N 749213587 YLRCWJJGYMYVGP-UHFFFAOYSA-N 425.463 0.430 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCOC3)c2=O)cn1 749857139 UPFAQFQIYTULAU-HNNXBMFYSA-N 435.509 0.822 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCSC 751831049 KJPDTNXLDSNHLW-UHFFFAOYSA-N 435.575 0.052 30 20 ICED C#CCNC(=O)c1ccccc1NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 754300071 TVRFZJNSWBRBDP-SJORKVTESA-N 433.530 0.656 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 757065952 KWWDOAMAYALVEQ-HNNXBMFYSA-N 443.508 0.465 30 20 ICED CCOCCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 757635629 YVPPAQZKITZJEX-SILNSSARSA-N 446.551 0.394 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 758573241 DAYQBWBIZFZOMO-JQVOGXOBSA-N 443.504 0.852 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 762449684 MRBBCESGEXKPFA-UHFFFAOYSA-N 425.445 0.009 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c1 772165682 NZLXSTNSIHMKNT-UHFFFAOYSA-N 435.502 0.130 30 20 ICED COC(=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 775574087 AGNGYAQSYOBGES-OAHLLOKOSA-N 436.534 0.601 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 783463453 AGKCTKOKENESNA-UHFFFAOYSA-N 433.424 0.760 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 783479119 AFINQTOVAWMCMM-OAHLLOKOSA-N 433.486 0.409 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785656201 JOPBUIHEJVQUJA-QUCCMNQESA-N 440.500 0.778 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 787687892 RVSYNYUIPAJHTJ-HNNXBMFYSA-N 435.383 0.976 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 787756240 OTDQXMAERRVDTP-UHFFFAOYSA-N 434.460 0.567 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)c1 789813457 UBDCIWXUADJVKY-OQKWZONESA-N 447.517 0.476 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 793020433 JAZIDMWPYPRQCA-XHDPSFHLSA-N 445.451 0.925 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O 796491597 QIESJVRVEIEELJ-INIZCTEOSA-N 445.586 0.608 30 20 ICED C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)n1cnc(C#N)n1 798745646 UYTAAYCKQVZUII-JTQLQIEISA-N 440.869 0.796 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 805584292 COIJPZZDNZRJQZ-KRWDZBQOSA-N 445.495 0.299 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccncc1 805983806 NOFUPQBEDZWILA-CABCVRRESA-N 430.486 0.911 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1=O 808240825 XMVOEUGBSGCDCI-JKSUJKDBSA-N 444.492 0.963 30 20 ICED Cc1cnn(C)c1S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 813987511 JUHFQMDULDDHEH-LLVKDONJSA-N 425.492 0.051 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 916199267 FIFGXECDZWACOF-UHFFFAOYSA-N 435.452 0.196 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)n3ncc(C#N)c3N)CC2)c1 920767481 TYQRZAWANLYUFA-UHFFFAOYSA-N 444.517 0.907 30 20 ICED CC(C)(C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1302204707 KSGFCKARAVBUDQ-AWEZNQCLSA-N 426.481 0.959 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC2(C(N)=O)CCOCC2)c1 1316531699 QQHZACIIYHBGJJ-UHFFFAOYSA-N 428.518 0.668 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1554504011 QRMMVISJKIHUDQ-FOIQADDNSA-N 446.533 0.750 30 20 ICED N#Cc1ccccc1N1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 1684480735 REBAHGZSYAVOFL-UHFFFAOYSA-N 443.533 0.966 30 20 ICED CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1722754956 OGYXUSLNONLCET-QGZVFWFLSA-N 445.549 0.671 30 20 ICED CC1(C)CN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1724032585 PFBUTMCUGRINSO-INIZCTEOSA-N 440.508 0.765 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1727231681 NZHJKHORFHOUSM-ZWKOTPCHSA-N 433.557 0.772 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779099996 QRSWPFIXZHLAKQ-XNTMEURJSA-N 432.477 0.819 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)c1 1780086329 SSLVLCRBSBPIRU-NJNPRVFISA-N 442.472 0.803 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1780175858 NHUZGJPUCMWVLS-FCHUYYIVSA-N 445.472 0.626 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780911817 JSAFXWKVPUFUNK-LQNXUBFPSA-N 445.491 0.871 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781383013 FTKNVEQUWAQQIA-NRFANRHFSA-N 428.526 0.479 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1ccnn1 1781545340 JCMQNYGSOATAKZ-CBGDNZLLSA-N 431.541 0.635 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1781967772 XFTORPBSPXZDFA-UZLBHIALSA-N 434.880 0.718 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1782658090 UQWBJZFPCXJPPN-QHCPKHFHSA-N 435.484 0.578 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698154 VGOBSHDQTUZBJA-OVWQWFNUSA-N 425.489 0.483 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729436 KHNKRXLMGRIKMG-BZSNNMDCSA-N 428.524 0.815 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787393252 BZFQZVZOEBZTCM-VGWMRTNUSA-N 436.509 0.155 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(Cc4ccccc4)c3)[C@H]2C1 1788928442 GWKDYUVNQZWXGE-IHPCNDPISA-N 436.468 0.613 30 20 ICED 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N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnc(N)s3)C4)c2c1 1799883486 OMLLAORHPISYAH-DRXBFXEBSA-N 437.485 0.990 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1800455924 ZCIZLPMOGZHNDZ-ORVPSHMPSA-N 441.528 0.475 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800773200 CAEQHLGSNPASRV-GYBHKZTNSA-N 447.488 0.064 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OC(F)(F)F)C2 1800774906 RAVFYXQJLLEPGN-DPIQGUFMSA-N 426.347 0.876 30 20 ICED 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 1800981210 KWINXNKCMLDYIJ-RMEBNNNOSA-N 431.555 0.170 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1800981403 WXWIJYINQAYKSC-PNBKFKSVSA-N 445.582 0.826 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803502380 KDYBXKOWEXZXKI-XFQXTVEOSA-N 432.546 0.829 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](COC)NC(C)=O)CC2)C1 1804856159 RRJIWDBNTRQDFT-MJRGOJFPSA-N 434.537 0.227 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1807611616 WDAXTJFKDMLFFS-UTKZUKDTSA-N 446.471 0.968 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808845351 JFBFEDUCEUIOAQ-VYCZESIESA-N 432.525 0.481 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1813223849 VGVDZFQBFQCMGW-SQGPQFPESA-N 425.489 0.879 30 20 ICED COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1813265322 QABGCTIFNXEEAA-AEFFLSMTSA-N 430.509 0.725 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067002 QUOUPYFNLQDTEN-NEPJUHHUSA-N 437.522 0.157 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](NC)C(=O)O)n[nH]1 1817373336 WIDMVXWKGWCJGN-HUUCEWRRSA-N 435.481 0.974 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818890433 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CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361227 XXSJXRFDDKIDEL-NZQKXSOJSA-N 442.516 0.737 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)n1 1839362090 XEFPMXDHFZWPRP-HSZRJFAPSA-N 437.500 0.799 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c1 1839420193 USNSEQZGUSKOQT-NRFANRHFSA-N 427.436 0.815 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(-c4ccccc4F)n3)C2)C1 1839807489 CUIFYFTVAZRMHN-QFIPXVFZSA-N 442.447 0.723 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)c1ccc(O)cc1 1840028601 DFILIJLYFYMYDH-HFJQGTKSSA-N 430.501 0.726 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1840041046 MIQKJRBGRPEWEF-QFIPXVFZSA-N 443.456 0.028 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)CCO2)C1 1840140388 YHOOGICRYUINLT-KCESLBEFSA-N 448.516 0.237 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840160851 VFRKESPUYTYEMX-BZNIZROVSA-N 436.456 0.827 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840234320 WPMNBHUWQGUEBR-JPYJTQIMSA-N 440.500 0.463 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434724 KXZGFGBPLHBXCB-XMSQKQJNSA-N 434.537 0.627 30 20 ICED O=C(CCN1CCCC1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840939633 MTVUKVIFEMMOMH-ZZAWEDPDSA-N 432.521 0.641 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)CCO2 1840962748 GOFVCYYXSQAZFW-JKSBSHDWSA-N 435.521 0.722 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1842241075 GYWQNGXBDVCXRM-UHFFFAOYSA-N 427.486 0.957 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842948211 DAPWHXMCJPVVAH-DOQJBMMISA-N 449.552 0.252 30 20 ICED CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 12905365 WMDFSXXXVAUDEP-MRXNPFEDSA-N 425.532 0.604 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 33016395 UAHKTZBJRQKKOB-UHFFFAOYSA-N 434.478 0.370 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)o2)C1=O 410118987 NELHANLNIFJERG-HOTGVXAUSA-N 428.489 0.997 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 436124468 OBMZLFZZZATDMZ-CYBMUJFWSA-N 428.898 0.524 30 20 ICED COC(=O)COc1cccc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 437467380 MWFMUEYOZPCTHY-UHFFFAOYSA-N 434.412 1.576 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 441963025 RUGDLCSUTUNYFP-GFCCVEGCSA-N 426.523 0.661 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 461371712 BQXDTSWFOCAILQ-OAHLLOKOSA-N 447.517 0.964 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 465413293 DGXFKWVFQYOZRA-OAHLLOKOSA-N 435.488 0.655 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(=O)N(C)C 465509168 STSDRFHRGSYDCH-AWEZNQCLSA-N 444.517 0.958 30 20 ICED CNC(=O)c1cc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc2[nH]1 472737932 KZDCPRILVNWIAU-UHFFFAOYSA-N 426.477 0.540 30 20 ICED N#CCN1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 472738190 SMIRDNUNVNOVMI-UHFFFAOYSA-N 442.563 0.221 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476335613 UFYTVPQKIIQLJS-LJQANCHMSA-N 440.500 0.967 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 480529669 SDWMUZLHZQKFCG-INIZCTEOSA-N 442.545 0.688 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)c2ccccc2C1=O 480665583 YRFTWERIXWJTCM-CYBMUJFWSA-N 426.454 0.637 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 482808334 CNVNJWXMTGUERX-JGGQBBKZSA-N 428.536 0.059 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 486251407 MVQDCNKVSPDXOC-QGZVFWFLSA-N 447.455 0.426 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487163797 UTSLCQLAAYDWLM-OXJNMPFZSA-N 438.532 0.653 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n(C)c1=O 502184180 HIKVNJCXBFGXAX-UHFFFAOYSA-N 435.488 0.656 30 20 ICED Cn1cnnc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502499346 DAVJQZBHVAPJKI-QGZVFWFLSA-N 443.533 0.357 30 20 ICED CCn1c(CCC(=O)N(CC#N)CC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 503636469 VFRXKBHEFKAKJS-UHFFFAOYSA-N 444.517 0.885 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c(F)c1 507166199 VKJVGTFJEXDIDQ-GOSISDBHSA-N 449.552 0.151 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cn1 514743201 UUHZLEFYWSYYPA-RDTXWAMCSA-N 429.502 0.950 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 518712732 ZCSDPCUWKXKTFZ-UHFFFAOYSA-N 425.558 0.991 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 523463140 XABFADPMESZZCO-YJBOKZPZSA-N 443.573 0.878 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCCCC#N)c2)c1=O 524267210 IQARGKLCDLUPFI-UHFFFAOYSA-N 440.525 0.878 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1F 527030388 YHUULGQIOXCIIZ-ZDUSSCGKSA-N 445.472 0.042 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 532505304 AIQUMOJGGIWTRF-HNNXBMFYSA-N 435.550 0.141 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 532506942 VWOCPJRFNCGSBI-ZDUSSCGKSA-N 433.511 0.871 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cc(OC)ccc2OC)c1=O 533579476 QHZSAILQNJQQDE-UHFFFAOYSA-N 439.497 0.382 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](C)S(C)(=O)=O)nnc12 533623051 QGEGRQTUMRAUFN-GFCCVEGCSA-N 435.531 0.872 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 535265420 WXBHTJZOJSXPFZ-ZDUSSCGKSA-N 428.536 0.155 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 548289498 SKXZYDYUUBFSCY-ZDUSSCGKSA-N 429.523 0.226 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)nc(N2CCCC2)n1 551674885 LJOFVWIUEYHUHJ-UHFFFAOYSA-N 445.487 1.401 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 552523786 QERZCDUABMNXPU-UHFFFAOYSA-N 427.549 0.608 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 557088110 BIMRRVIUFNLNAR-UHFFFAOYSA-N 426.454 0.291 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 561993172 FJGWBJLGJRVEPR-INIZCTEOSA-N 440.547 0.399 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 562208701 WYGJYAFVUGNXBY-KRWDZBQOSA-N 431.522 0.717 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 564314202 HBWOKHLYKIQQNV-FUHWJXTLSA-N 439.534 0.325 30 20 ICED CCN(C(=O)[C@@H](C)N1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 564396684 FERRDVITUTVWPH-HUUCEWRRSA-N 425.580 0.869 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 569145899 LQLMVBGQDXDEFP-UHFFFAOYSA-N 437.341 0.528 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 583343639 DPHOVAUVKRAVKE-NEWSRXKRSA-N 437.500 0.687 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 586841133 XKXMKYCFCGXVJK-ZDUSSCGKSA-N 443.485 0.421 30 20 ICED C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1cc(F)ccc1N1CCN(C)CC1 586845730 XQRUWYDOZUCORH-MRXNPFEDSA-N 430.528 0.859 30 20 ICED C[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCCC[C@@H]1C 587647226 HIVBYWVOOPXUIH-HOTGVXAUSA-N 426.521 0.944 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603792997 IIDGNGGVZSSHND-UHFFFAOYSA-N 428.470 0.660 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 608911206 RVACXVQIOGWUPD-UHFFFAOYSA-N 426.523 0.639 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 611431133 SKUWJRKKTDYBRX-OALUTQOASA-N 444.605 0.871 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 613245684 JWSFBUSOKKMLPF-MRXNPFEDSA-N 427.509 0.683 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 669805360 LXSLWXUYDUFSFV-UHFFFAOYSA-N 429.510 0.625 30 20 ICED C=CCOC[C@H]1NC(=O)N(c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 672087106 OYEPARLGANOMDK-CQSZACIVSA-N 425.463 0.344 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 726887410 GGOIYPZPCWWBKE-CYBMUJFWSA-N 443.551 0.487 30 20 ICED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)N(C)CCC#N 728924709 HMEQWPSNUIUKHC-CYBMUJFWSA-N 427.454 0.764 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3cccnc3)c2=O)cn1 732565189 ZLKDKXUJJGQFKV-UHFFFAOYSA-N 436.541 0.792 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H]2CCS(=O)(=O)C2)C1=O 735225510 KTPQUFGXKCXBMU-FZMZJTMJSA-N 425.488 0.670 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n([C@@H]3CCOc4ccccc43)c2=O)cn1 742142923 CNZJIWFESNKJBP-GOSISDBHSA-N 447.520 0.797 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742510717 ICOUKZABMGTPPS-ZDUSSCGKSA-N 442.563 0.434 30 20 ICED C[C@@H](CC(=O)NCCC(=O)NCc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742590410 JRODALMAVUJZDM-AWEZNQCLSA-N 429.502 0.721 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 746363430 YEGDFQDSSHYESR-UHFFFAOYSA-N 438.416 0.156 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 748709200 XMDQCGXICDLJMR-UHFFFAOYSA-N 438.937 0.242 30 20 ICED Cn1c(N)c(C=NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(=O)n(C)c1=O 749810355 RUPXTTZFXHGFCR-UHFFFAOYSA-N 432.440 0.496 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 757149768 HCWHBGGYUMDDGR-UKRRQHHQSA-N 442.563 0.339 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 758057105 ZWOXELDFVJANNX-UHFFFAOYSA-N 443.912 0.567 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758068479 LXUXVETUYMUQCN-UHFFFAOYSA-N 433.436 0.410 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758585834 ULPRNRIPTRJPKO-UHFFFAOYSA-N 427.530 0.191 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)n(C)c1=O 771891871 VFGYQVWFWVFFTG-UHFFFAOYSA-N 446.239 0.067 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(CC)Cc2ccc3c(c2)OCCO3)C1=O 773410311 XIGCQMYYILNNAV-UHFFFAOYSA-N 445.428 0.326 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 802578846 KMTPBISKVRJMOF-UHFFFAOYSA-N 434.518 0.338 30 20 ICED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 803786050 BGEXQCBFCYZACG-SFHVURJKSA-N 438.462 0.911 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2=O)cc1 806684723 IOFFWMNZJLCCPC-ROUUACIJSA-N 426.473 0.972 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(C4OCCO4)CC3)C2=O)cc1 808174797 PAUOXKWLJWNFRW-SFHVURJKSA-N 426.473 0.781 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2=O)cc1 808237335 LHGIPOLFIDYIIJ-ZWKOTPCHSA-N 426.473 0.529 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 810382764 SOILRQBQDMLRSK-ZZEZOPTASA-N 434.518 0.841 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c1 810481005 LSYSVPFYPATCBJ-IXIHTFQWSA-N 434.518 0.810 30 20 ICED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 810783271 KWZGFOVHYOEVLB-ZDUSSCGKSA-N 429.476 0.465 30 20 ICED Cc1cc(C)n(-c2nnc(SCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n2N)n1 914867495 RDOXNASSHPSSFN-UHFFFAOYSA-N 442.509 0.403 30 20 ICED N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 919818620 LRVYNJLRIGINAC-QGZVFWFLSA-N 425.532 0.152 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)ccc1Br 1191172069 SWGSGACAAUIDCG-KGLIPLIRSA-N 435.321 0.897 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)c(Br)c3)CC2)CC1 1654960589 OWDAAGHAIDUDTJ-UHFFFAOYSA-N 428.356 0.935 30 20 ICED C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1693845342 OQBNPMXEXVPKRW-KSZLIROESA-N 431.541 0.629 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NC(C)C 1694351600 KGVMYMNMTWLQRL-QGZVFWFLSA-N 430.557 0.898 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)C1 1712875819 IGFNTWUEALXUBD-WMLDXEAASA-N 445.542 0.447 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)CC1 1724010408 OIJAFGVJDLPVLG-GFCCVEGCSA-N 430.481 0.692 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC(=O)N1C 1743255171 QXIZIKLKQZSBLD-OAHLLOKOSA-N 435.492 0.658 30 20 ICED CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1749888892 YJISGYMSWJYICD-FQEVSTJZSA-N 428.585 0.817 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2)C1 1778115205 QAZKXDNLIDSVMK-FQEVSTJZSA-N 425.551 0.454 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708714 NYHZMYMQBGNLHJ-PEBXRYMYSA-N 427.457 0.856 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740715 ZUFGCOLFJVRZHZ-OVRHDEQLSA-N 425.493 0.645 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778935441 BOPPGDXFVXPNJK-LHSJRXKWSA-N 449.508 0.162 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779203780 RDENRQYIWFFCAG-MXHNKVEKSA-N 442.513 0.366 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779325089 LNPCYSHZUDQHSW-VGOFRKELSA-N 428.537 0.994 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779873227 LRBFGWVBXUJNGU-PUCZYUMASA-N 447.492 0.983 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854351 KWPKRRCISCPUQD-KXBFYZLASA-N 429.539 0.579 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581573 KZMFAWLKBXNIAW-UKKLRFBMSA-N 425.493 0.873 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CC2 1783565502 LZGGOBPKWKLFCB-HXOBKFHXSA-N 426.469 0.718 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783896513 AOJKKCJQJWDBQK-YYQBIWNASA-N 443.566 0.505 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783898763 BGUONQGKXRTWNE-VHKYSDTDSA-N 443.566 0.818 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980956 LPRNYKQLDNZMPA-KRWDZBQOSA-N 435.399 0.004 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4nc(C)sc4n3)[C@H]2C1 1784849527 ZZYSORZMSBARTG-KCMWZYNZSA-N 445.545 0.660 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nn1C 1788653189 XVRRSRVDBQLTRX-JQPABRAMSA-N 447.536 0.780 30 20 ICED O=C(Cn1nccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1789968285 BWTORQUGMWIKPB-WDSOQIARSA-N 427.892 0.963 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053284 WCEJZMREEFDZBA-BCEDRHLLSA-N 445.541 0.510 30 20 ICED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cnc2c1cnn2C 1796072850 MITBZERAQBCTPJ-XOIINTDNSA-N 438.488 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccc(C)cc12 1796268802 VBYAXNMEVBANOE-BEWPNNSKSA-N 437.500 0.704 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796284801 RWKCVCDNDJNURJ-ZXFNITATSA-N 432.477 0.857 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)c1 1799610748 DWABMUPDEKZMQG-RPUPUWCGSA-N 441.528 0.765 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(OC(F)F)cc1Cl)C2 1800773911 WFAANWFXXPVKNW-KEODLESXSA-N 443.790 0.628 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3C(=O)C=CC3=O)C4)c2c1 1800879201 HKORIQATEGSUET-QDMKHBRRSA-N 432.440 0.611 30 20 ICED Cc1nccn1[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801454112 CQQRAYQFOZOYBX-VOGREWSDSA-N 433.509 0.871 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1802017919 NQBBQGFKUPXOJP-XEMDLRDOSA-N 437.537 0.921 30 20 ICED C#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]1CCCN1C)C2 1802124798 KIMXHMIOUKOTOZ-MTHXSQLBSA-N 448.564 0.587 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1c1cccnc1 1802475589 HRBUNFMCKIMQDS-PMHMONSGSA-N 427.505 0.457 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1803566260 IWFYYKHLEWQVSI-TTYHFUOFSA-N 432.521 0.830 30 20 ICED N#CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1806283286 DNBRXUKJVHWDMY-HNAYVOBHSA-N 438.513 0.906 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)N1 1806812514 IYFYYEUQROGRPR-UDZNCULOSA-N 426.521 0.838 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1807145640 OQJPFPDATBQKSF-ZIFCJYIRSA-N 426.521 0.648 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358298 BJKAJRLTAMLXMC-NORZTCDRSA-N 427.490 0.451 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@H]1c1cccnc1 1807958239 UZRRQVMRSYZCDN-FTEYMNFISA-N 442.516 0.948 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1815062435 KSPVZRADCMGFBZ-NEFISRKZSA-N 432.506 0.360 30 20 ICED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822023337 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1831387565 QSXZEPHTXTXREZ-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1832458672 VFBSNYITLNKMEL-OAQYLSRUSA-N 433.530 0.775 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)nc1 1834397978 BDLBCIMGWKSXOA-UHFFFAOYSA-N 433.534 0.584 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1835098681 OJJAOYICHVWJEF-DEOSSOPVSA-N 434.496 0.917 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835643178 SWBMZUTZZHJOGI-IBGZPJMESA-N 442.582 0.542 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677238 CNAWFGYFCPZUCQ-JOCHJYFZSA-N 447.536 0.513 30 20 ICED Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835680421 HWQNHAOBNLDLSM-OAQYLSRUSA-N 449.577 0.732 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835731960 WTQKWGFTJYOLSW-LFVJCYFKSA-N 443.552 0.839 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835811872 GHZWOWRUDHFVPM-KKLQWCBXSA-N 429.517 0.224 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccccc3C)CCO2)C1 1835862322 LDLBUIONSNAHHC-CVDCTZTESA-N 429.517 0.902 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1835988966 BYXAZEXQOILSBL-SGCYSOCQSA-N 446.552 0.281 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836052293 QWWDEDGUJRDQQI-GCJKJVERSA-N 432.521 0.439 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443551 FTDGCIKFASAXSJ-UQQIOGDDSA-N 430.509 0.327 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837486415 OBMNIUKWMUJRNZ-CBGDNZLLSA-N 448.524 0.534 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525645 YCLIJWATIBTCIH-JLHBBBICSA-N 435.481 0.019 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838403770 BSTQGQAXEFZGMH-IBGZPJMESA-N 445.507 0.847 30 20 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436.456 0.827 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840455508 AVNVVMRBUOLSKM-JOCHJYFZSA-N 432.521 0.848 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084437 GZWYODCEOSDFIY-MRXNPFEDSA-N 445.524 0.573 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1847069367 BVGVJVHVNKMISO-HOTGVXAUSA-N 432.521 0.633 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCOCCOC 1847808500 XRIFHMACKWVAHJ-PMACEKPBSA-N 442.553 0.867 30 20 ICED CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 23700269 BRZZZKGIUAJPTB-SFHVURJKSA-N 448.545 0.666 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 62630304 PEMURPAMBQIYSI-CQSZACIVSA-N 448.501 0.846 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 106046407 MQBIOXZEUPPCRM-MBOZVWFJSA-N 447.561 0.635 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCO1 409515933 VJNVFDHNTFDNRE-SJORKVTESA-N 440.547 0.312 30 20 ICED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC(=O)N1CCC[C@@H]1C(N)=O 427127484 VVOWYBKOZNHIBC-OAHLLOKOSA-N 449.581 0.771 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2cccs2)c(=O)n1C1CCC1 430966108 MLDVTPUDBGNQIV-UHFFFAOYSA-N 449.579 0.456 30 20 ICED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471015882 AVPYCFDZABCFKG-NRFANRHFSA-N 430.461 0.638 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2)n1 471900605 GCKHWQZAQGFCAO-GBESFXJTSA-N 447.561 0.092 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 479437531 GYKHWEXKAIERMX-UHFFFAOYSA-N 428.517 0.123 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1C#N 480483938 ODIJMWHXGMKTHJ-LJQANCHMSA-N 449.515 0.561 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 499993943 DAMBGGFDDUGBSW-LJQANCHMSA-N 434.562 0.935 30 20 ICED CC[C@@H](C(=O)OC)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 503120475 ULBJMGDIGACXCN-OALUTQOASA-N 427.505 0.938 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 505673591 AHAQIQSYSAKQLC-UHFFFAOYSA-N 428.493 0.224 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ccccc3C#N)CC2)CC1 507275737 DFCZOBXDEIETOF-UHFFFAOYSA-N 426.565 0.739 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@H](C#N)C1 508933218 XIICRPMYUCUQFR-QGZVFWFLSA-N 444.517 0.881 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)[C@@H](C)CC#N 509227081 XWPPCBMMIHYNPS-DOTOQJQBSA-N 426.539 0.643 30 20 ICED N#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 523669946 BELXVMHTLMMYJK-UHFFFAOYSA-N 437.909 0.829 30 20 ICED CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 526096820 PHGCYJHONOGPSL-UHFFFAOYSA-N 425.493 0.960 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c(=O)n2C 531353750 ZDTITDIUBXCQIC-GFCCVEGCSA-N 436.350 0.713 30 20 ICED C=CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 533065573 SOGFWAOGWIWQMA-KRWDZBQOSA-N 444.575 0.761 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 533496089 MUAUTIHTKXBVSN-UHFFFAOYSA-N 430.472 0.999 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2Br)c(=O)n1C 535585057 ZAHUARMEOPYFRN-UHFFFAOYSA-N 440.294 0.614 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 536085756 XXCFNFBIDOAQRB-QGZVFWFLSA-N 440.525 0.236 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 545892399 NMERHQJLVMGEES-HUUCEWRRSA-N 430.490 0.858 30 20 ICED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549724377 GMUDSOOFPGYFNA-UHFFFAOYSA-N 425.472 0.919 30 20 ICED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1O 550105832 DFAOUUNOOYIKJO-QZTJIDSGSA-N 440.504 0.785 30 20 ICED N#Cc1ncn(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 553503781 LBZKQGSJXVZTSK-OAHLLOKOSA-N 433.450 0.418 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)cc1 554730276 PCSATYWFMGNUSN-HXUWFJFHSA-N 446.511 0.828 30 20 ICED CN1CCN(C)[C@@H](CNc2cc(NC[C@@H]3CN(C)CCN3C)c([N+](=O)[O-])cc2C#N)C1 557573190 KTEZXVHUSBZXSQ-ZWKOTPCHSA-N 430.557 0.782 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 561472138 ZKBBKIFQPUYXTC-VQTJNVASSA-N 434.581 0.925 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 576380026 CYSALPBRAUSOAB-LJQANCHMSA-N 430.505 0.692 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 578276659 XWEOOMVOPWVADN-UXHICEINSA-N 439.516 0.099 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1 580649243 HMVRFTNFWOFUEL-CYBMUJFWSA-N 425.413 0.671 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)CC1 580915657 WPJBSMNECDSTDM-OAHLLOKOSA-N 426.477 0.360 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)c2ccc(F)cc2)CC1 582686008 CTTBXBBNPSYIIH-IBGZPJMESA-N 446.504 0.853 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 609351179 SIWPHRREUXVZRO-UHFFFAOYSA-N 446.479 0.402 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)nn1 611239396 UQQLQCQXCKXFDV-UHFFFAOYSA-N 434.865 0.843 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1 679753612 XUXAMEFNTPAGSW-UHFFFAOYSA-N 425.510 0.804 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 728534400 JXUJFESQOHJWKR-QGZVFWFLSA-N 429.912 0.838 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 743897853 NCEUXZKKURYAFK-UHFFFAOYSA-N 428.461 0.781 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 746365543 MUCTWQAPXWEHCS-UHFFFAOYSA-N 434.453 0.407 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)c1 749694869 XFJBAIGIMVSHGZ-NLFAIWHDSA-N 435.550 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758052749 FSTMTEACGWUYCF-UHFFFAOYSA-N 426.454 0.107 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C)cn3)c2=O)c1 761840467 BCNPHDYAXKASAN-UHFFFAOYSA-N 444.516 0.849 30 20 ICED N#C[C@H](C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 774096622 RRGUDDBGDNLKSR-DLBZAZTESA-N 433.486 0.611 30 20 ICED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)[C@H]1CCCO1 775328232 KEQZZYHEFIKQJZ-YESZJQIVSA-N 428.532 0.065 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)C(=O)NCCNc1ncccc1C#N)C[C@H]2O 787776843 WZVDEQFBHYCVDP-OAHLLOKOSA-N 425.445 0.574 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 787777175 YTLUFVKKDWNVGF-KRWDZBQOSA-N 448.549 0.334 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 789115109 RYCWHUWSEUCBBR-BFUOFWGJSA-N 446.485 0.884 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cc(Br)c(=O)n(C)c1)c1cc[nH]n1 789988938 GRGALHMYTRRESD-UHFFFAOYSA-N 426.227 0.793 30 20 ICED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCn2cc(C(=O)OC)nn2)c1 790021082 IWVVINJBFCSQCS-MRXNPFEDSA-N 440.485 0.814 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CC(=O)N2C 804571825 POQBRMHMUCGQMQ-HNNXBMFYSA-N 432.484 0.998 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 805739453 OCRRJCVUWONXET-OAHLLOKOSA-N 430.509 0.879 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC2)c1C#N 806763471 QFMVIGZLEQHHHF-CYBMUJFWSA-N 433.513 0.278 30 20 ICED CN1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C2)C1 815746836 WOIWOMFIFVFYLR-ABCSWIFBSA-N 447.561 0.992 30 20 ICED Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 817812078 FPSACNMKYJJQIZ-UHFFFAOYSA-N 428.470 0.952 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 914564812 DZUWKBHHUIKPCA-WMLDXEAASA-N 429.546 0.488 30 20 ICED CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)NCC(=O)O)cc1 914599501 FCDDPFQGFMGQHO-UHFFFAOYSA-N 436.471 0.512 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)cc1 915788092 TZVUIYXYZAALIA-UHFFFAOYSA-N 446.485 0.769 30 20 ICED CCNC(=O)CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920456094 SUJCSNNTGLCJEI-UHFFFAOYSA-N 435.550 0.176 30 20 ICED N#Cc1cn(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)c(=O)nc1O 1138211920 JGVMROHEAXHZHD-AWEZNQCLSA-N 437.334 0.419 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1460639621 ROYCBBJCRGVGTO-UHFFFAOYSA-N 427.530 0.687 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1496840503 NMFHPCMTKIQBPO-HXUWFJFHSA-N 435.504 0.921 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1509781954 XBRVBDFBVTUBTF-HNNXBMFYSA-N 448.505 0.730 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1518649489 RRQXSWDDXFTRBV-SJLPKXTDSA-N 426.477 0.716 30 20 ICED CC1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1544264727 KQBPAJWIVMMHCW-ZACQAIPSSA-N 439.586 0.737 30 20 ICED C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)CCO2 1545151573 QDMUGQZIKQOVSM-FOIQADDNSA-N 446.533 0.750 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1548329064 XTTFOFMZUMMFNT-SUMWQHHRSA-N 427.506 0.343 30 20 ICED CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1554123602 XNKQCIVBQFVYBE-OXQOHEQNSA-N 447.517 0.503 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1610315901 UKTSDJFVJBOZRD-GOSISDBHSA-N 448.549 0.956 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1761502371 YRWPGHYLCQCCOP-MNOVXSKESA-N 430.441 0.257 30 20 ICED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1767943681 JMNRMOZVUJUJOP-NRFANRHFSA-N 425.493 0.772 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1770741062 VDWIDLMTDLLGBZ-IBGZPJMESA-N 449.558 0.832 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778377337 YRCUUUFQTSWSTF-QFIPXVFZSA-N 443.504 0.711 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101285 MEJLFVWNFGGEOB-LLEXLLOWSA-N 435.481 0.401 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396462 JYJFFEXRZVKHHA-DYESRHJHSA-N 429.521 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780167251 KWIMJZCUVJFEJP-VMXOYPLMSA-N 438.484 0.869 30 20 ICED COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)nn1C 1780436778 UYCAGDOBKBJXGB-QFIPXVFZSA-N 449.471 0.934 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938774 PFQKOWVQOZFHLB-BTYIYWSLSA-N 432.546 0.934 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1781856033 VRDTVRRKIMDKMW-AUSIDOKSSA-N 443.500 0.711 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cnnn1 1782198823 WEVVTXXAUSJATH-ZUOKHONESA-N 435.448 0.126 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167526 SJSPFFLZAPWMBD-KHCICDEESA-N 439.512 0.855 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CCC)C[C@@H]21 1783531840 ZPRBZWLAMHXXLP-HLPXXCTFSA-N 434.537 0.129 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783901806 YTYKJMZMRBTVGZ-CKFHNAJUSA-N 431.555 0.410 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)ccc1F 1784039323 LMWVKJPRZRDIKP-ZHRRBRCNSA-N 428.464 0.596 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)c1 1785084141 OFZPITGCHHTGFY-WZONZLPQSA-N 444.532 0.044 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c(C(F)(F)F)n1 1785627438 NNGNMNRKJWGNBV-QGZVFWFLSA-N 440.382 0.084 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1787625871 QCNUFTCEFMMQLK-LNLFQRSKSA-N 446.552 0.405 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)ccc21 1787959231 VKKKTDCFIUSIEF-WFXMLNOXSA-N 436.512 0.884 30 20 ICED Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n1 1788601267 OAOONDRWHFWLIJ-MVUPPBQTSA-N 430.553 0.951 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788713166 NIRUUMFPWZRILI-WDSOQIARSA-N 430.505 0.983 30 20 ICED 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JNKZZRKOHBUXAO-WBVHZDCISA-N 434.537 0.973 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)ccc1F 1848071620 AKSFJWIJCTXQHX-OALUTQOASA-N 448.520 0.172 30 20 ICED N#CCCNC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11053397 ZQAKMYPTSZICBD-UHFFFAOYSA-N 425.371 0.933 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 12597963 RVPMHIIHJRJTFD-KRWDZBQOSA-N 429.520 0.980 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 409532300 DJKZMQFFAZDCJF-INIZCTEOSA-N 428.536 0.420 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 410405276 XPIBOFMCKDZIEC-DNVCBOLYSA-N 447.521 0.987 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1=O 430174838 GHJNOYQFPQAZJE-LBPRGKRZSA-N 438.278 0.693 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 430385215 IDFQEYVCLSBDSV-PKOBYXMFSA-N 435.546 0.925 30 20 ICED Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1C#N 435758115 DSBFGEKEOXXNFD-UHFFFAOYSA-N 434.499 0.788 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 437002168 LWPBUVNOXRDLMJ-CQSZACIVSA-N 434.522 0.742 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCOC2)c1=O 441954040 IKYWFYRMPSSXRM-KRWDZBQOSA-N 439.537 0.617 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443137896 DETAWMMPOITVID-UHFFFAOYSA-N 427.383 0.676 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 443201737 IOZLFTCLFLWEGR-INIZCTEOSA-N 448.526 0.546 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 460433211 ZTIVEDPJKMMVBN-MRXNPFEDSA-N 430.490 0.224 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460687275 FIPNIJJLACMTCA-OAHLLOKOSA-N 431.478 0.006 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 479032892 SNTKRSFLFZOXRH-ZDUSSCGKSA-N 448.592 0.868 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480937930 PZQWGYPMHHOJPY-LBPRGKRZSA-N 430.511 0.662 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 489844417 YCHVZSHDMPXYNR-CQSZACIVSA-N 432.506 0.929 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)CC1 508734514 REIUHNRCIKNRHR-UHFFFAOYSA-N 439.567 0.506 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 512175688 QUTMIPMGNHQEEB-QGZVFWFLSA-N 434.543 0.993 30 20 ICED N#C[C@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@]12C(=O)Nc1ccccc12 513998310 AWUGSAOISCGEOS-SBUREZEXSA-N 446.515 0.654 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 523042510 LEMWDLGSTBRSRR-SFHVURJKSA-N 444.536 0.992 30 20 ICED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 532702581 UKJPCSXOQXFWEU-AWEZNQCLSA-N 435.506 0.084 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n(CCC#N)n1 533456685 VDNNEUVQHLKLOB-UHFFFAOYSA-N 443.552 0.883 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 550399754 QXTTXZMMASZOLV-IBGZPJMESA-N 435.532 0.640 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 552775597 FGDJUUNJTCZUEN-JKSUJKDBSA-N 436.509 0.675 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 555289763 AZOCWFDKRQVNGM-KGLIPLIRSA-N 434.588 0.230 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 558056102 HHMPWXHNTGLPBW-GOSISDBHSA-N 432.488 0.987 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 559637590 GBLKWGOTBMCHBA-MRXNPFEDSA-N 442.497 0.209 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 561415273 OXFQVZDXQXIHSI-LJQANCHMSA-N 433.597 0.688 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)c(F)c1 577009828 GEZNXEJFLMHDFF-KRWDZBQOSA-N 438.463 0.724 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 585720589 QSZUJHCELQEKEQ-UHFFFAOYSA-N 426.565 0.415 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 589281937 PZWIFLRGPAOJDA-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CCn1cc(C#N)c(=O)n(Cc2ccc(Cn3c(=O)c(C#N)cn(CC)c3=O)cc2)c1=O 603724402 RBAUHZXIIBVOJF-UHFFFAOYSA-N 432.440 0.213 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)n(C)c2n(C)c1=O 604301941 OMLZXMGJYZFOBL-UHFFFAOYSA-N 437.460 0.275 30 20 ICED Cn1ncc2c(N3CCN(C(=O)c4ccc(-n5ncc(C#N)c5N)cc4)CC3)ncnc21 608925572 RDLCHPFXIURWTC-UHFFFAOYSA-N 428.460 0.965 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccsc2)c1=O 609563998 LFRWMPZLHVKDSE-UHFFFAOYSA-N 448.595 0.138 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1 609686146 MYQSZHIEDSZFJQ-UHFFFAOYSA-N 433.534 0.545 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 609936676 YTZPLWPMTJYCGP-UHFFFAOYSA-N 428.537 0.712 30 20 ICED Cc1nn(C)c(N2CCN([C@@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)c1C#N 615977953 RJBASROVBRCXNJ-GOSISDBHSA-N 436.472 0.748 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)c1C#N 615989592 XIBSQTNAPFFRHE-UHFFFAOYSA-N 435.485 0.419 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 680339386 FSZMRCMTYKLDPB-PMACEKPBSA-N 442.560 0.519 30 20 ICED C#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 725828966 PKAYBHREYIJPNK-UHFFFAOYSA-N 439.481 0.857 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 728533443 IXSGRMURNNGRFV-OAHLLOKOSA-N 447.333 0.696 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 731650832 LEPRESTYGWDHNQ-UHFFFAOYSA-N 442.563 0.117 30 20 ICED C[C@@H](ON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749790552 IKASWTWVJYTKRH-RHSMWYFYSA-N 438.550 0.319 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C#N 752378497 MNLNTUDJNBVTPQ-UHFFFAOYSA-N 437.478 0.605 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 757291812 LTRLEDVGRPRRKC-HNNXBMFYSA-N 449.471 0.976 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094195 VQXUJHLGMDOZNW-SWLSCSKDSA-N 431.898 0.531 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 758641795 MWBDFXGOUZLUSJ-RISCZKNCSA-N 430.508 0.371 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(-c2ccc(F)cc2)n1 761965574 QJZUMYSPBHNBFE-ISLYRVAYSA-N 426.408 0.901 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763461373 XMTNSYHTIAWTFX-OAHLLOKOSA-N 443.573 0.169 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCc3ccccc3)c2=O)cn1 772277076 PPROZUPVCKVJOX-UHFFFAOYSA-N 449.536 0.715 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccc4c(c3)OCO4)c2=O)cn1 772318977 XFNCWFFUYBTKKT-UHFFFAOYSA-N 449.492 0.954 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774542065 LMDONINUIZJDDU-UHFFFAOYSA-N 432.505 0.234 30 20 ICED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778116103 QMCDPABWUHTDET-ZBFHGGJFSA-N 434.474 0.083 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 783479198 BDBPDSGVTRSFIL-LJQANCHMSA-N 432.546 0.416 30 20 ICED C#CCn1ccc(CN(CC)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 790118785 DUMJCTNWCQPKAW-UHFFFAOYSA-N 431.518 0.663 30 20 ICED CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)Cn2nnnc2N1C 798281426 LJBJELPWSQPFAT-LTGZKZEYSA-N 430.494 0.848 30 20 ICED C=CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800780927 OEYDZNXOARZEDU-HNNXBMFYSA-N 431.584 0.302 30 20 ICED C#CCNc1nc(NCC(C)(C)S(C)(=O)=O)nc(NCC(C)(C)S(C)(=O)=O)n1 804533664 FWKWWDDBNXEVEG-UHFFFAOYSA-N 432.572 0.387 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1F 807326404 HPDZSRDECIKLFG-QGZVFWFLSA-N 447.854 0.964 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)cc1Br 809125582 RBCLLOKTGVCJRX-UHFFFAOYSA-N 432.227 0.804 30 20 ICED CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@H]1CCN(O)C1=O)n2CC(C)C 816690771 BZBKAFBYOGAIRP-ZDUSSCGKSA-N 434.497 0.794 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 914634978 OAVTYQIKHZAMNP-LRTDBIEQSA-N 428.445 0.929 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316349357 IOCXWSPMUUAFHW-UHFFFAOYSA-N 426.506 0.911 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1320162687 BFKHVGGQAKCFNY-UHFFFAOYSA-N 447.488 0.066 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1359468975 VMVPLMWMSXZIDD-YWZLYKJASA-N 448.549 0.943 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1504855115 XLPWGEIJSDUMQU-UHFFFAOYSA-N 447.565 0.477 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCSC2)C1 1505140213 UXJXVJBBQKRKBP-KFWWJZLASA-N 442.567 0.093 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1541810383 QQWRGDQQCQKLOO-AWEZNQCLSA-N 431.522 0.552 30 20 ICED CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547157396 QBNYVKJKMYUBLE-HUUCEWRRSA-N 430.538 0.967 30 20 ICED Cn1cc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1624983732 XHQBHZRWUWZIHC-FUHWJXTLSA-N 441.513 0.611 30 20 ICED C[C@H](CC(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1628084460 QZWIUFYIKSTXOZ-OLZOCXBDSA-N 430.490 0.714 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1641148896 SGEMWFMWSFSHOZ-UHFFFAOYSA-N 448.476 0.733 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1751303622 BWMIPLUBEMTBOA-CXAGYDPISA-N 428.490 0.089 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1760374300 LYNMJZBMWVVYJY-CQSZACIVSA-N 432.934 0.032 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778597582 FXDYOCIFSPPDHD-IYZQMXKPSA-N 435.484 0.932 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)CCO2 1781264402 YXPAGQUAHFNXBL-YVHKJVDXSA-N 436.505 0.915 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793822 VGYHMLWQCCRBHI-SIKLNZKXSA-N 428.489 0.347 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1781860766 JTIMLBOQQVUFNB-VGSWGCGISA-N 444.488 0.845 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n(C)n1 1782192781 VTAMSVKYRLTNSP-JOCHJYFZSA-N 449.471 0.934 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782319602 XNZIQVFRSBWINL-HSZRJFAPSA-N 426.517 0.971 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(C#N)c1 1783164833 DKCNWNANUBAFOD-JTSKRJEESA-N 426.473 0.075 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167522 SJSPFFLZAPWMBD-JXQFQVJHSA-N 439.512 0.855 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c1 1783280571 CRKCMIXDBITYMU-XMSQKQJNSA-N 427.505 0.673 30 20 ICED CCOC(=O)c1c(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c[nH]c1C 1783557402 GYCGNZHYOZDZBH-JOCHJYFZSA-N 445.472 0.350 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784519815 JBEXSPVZDYDBGY-QEOTZNIISA-N 431.555 0.448 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612697 MTMAVUOPCJCCDA-LRDNONRASA-N 445.582 0.799 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785687274 VHMURQYQEWWSTF-NXNVCVFFSA-N 436.484 0.949 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788732116 KAWVXANBEHPPMT-XWSJACJDSA-N 446.548 0.858 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1788759632 SACUWUXKWMTDPN-CAIZAGQASA-N 440.500 0.607 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575144 VXMCRLCMJHJLOP-BZSNNMDCSA-N 429.546 0.636 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](N)c3cccnc3)C[C@@H]21 1789890527 QQMZNNPMDFDZSR-MUGJNUQGSA-N 444.532 0.961 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1789944548 INCALLGCCCTAOX-JPLJXNOCSA-N 440.500 0.538 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnccn3)[C@H]2C1 1791699825 GRMWKTXFXAKXQX-ZOPGNSJXSA-N 428.489 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)OC)C1 1792962956 WGSCQKOYIZMCBW-UKFIRTNOSA-N 433.505 0.024 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)cn1 1794747812 RPFDNKNUHYOOLI-OFVJYHLWSA-N 446.529 0.595 30 20 ICED 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 1799195819 CZDFNDHGBWGYBV-DERJNBNXSA-N 443.566 0.122 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1799304886 GNSYUNHGUBGHHG-XOIINTDNSA-N 427.461 0.671 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C[C@@H](C[C@@H]2F)N1C(=O)OC(C)(C)C 1800733263 ASMKUNOZGVXXFM-HLUDHZFRSA-N 435.496 0.945 30 20 ICED C[C@@H](S)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 1800989262 IAYOHVWVLXLCFY-XYFZXANASA-N 441.550 0.820 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811540775 LJIHSSYRLJNLGY-VDZJLULYSA-N 440.460 0.665 30 20 ICED Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1814200992 BDXWOIRKGREITN-WMZHIEFXSA-N 448.479 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCOCC2)[nH]n1 1814436289 PPVDMKGQPGFLNH-HPFMTEOYSA-N 444.536 0.983 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1829894287 JCRVKLSILKENHX-JOCHJYFZSA-N 437.537 0.294 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)CCO2 1830853935 YWTILTAJSYBVSO-VGOFRKELSA-N 435.521 0.769 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1831438403 QDLNSPRGCAYLSI-FGSXEWAUSA-N 433.505 0.896 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831481648 GDCNPTAHVWFZOQ-QUCCMNQESA-N 429.627 0.847 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1831484932 IZOFWJMILXRPNE-MAZHCROVSA-N 428.473 0.711 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)cc1 1831742479 VSDOTDCNXLMGCA-FQEVSTJZSA-N 427.486 0.722 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833146321 REGZYDGWSPRPHD-UHFFFAOYSA-N 429.521 0.423 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC)c1ccccc1)CCO2 1834918500 DZDVZESGMRRKHZ-XQFWAAQXSA-N 430.501 0.869 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835318951 GVJNNAREXWUHJD-DDKKJVIOSA-N 433.427 0.644 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1835680467 JAVIPTVRKLFHNS-JOCHJYFZSA-N 448.495 0.883 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(=O)n4O)CC3)CC2)c1 1836167207 NDWWICDPFKXWFN-UHFFFAOYSA-N 438.488 0.784 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1837394900 KYDQIOZYTIXVSM-HRAATJIYSA-N 436.509 0.072 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837486661 LYTUQAAPGBRODS-HSZRJFAPSA-N 445.491 0.989 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837525965 AOLHATGPCPWQCR-GSYMPFBVSA-N 446.504 0.610 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562192 HKTDGRSILLDTCZ-UYYUJSNXSA-N 431.449 0.347 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)o1 1837562217 HXQMTDLQFLHFAZ-WHEDMDOKSA-N 431.449 0.089 30 20 ICED CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838056212 SNMHNGWRUIKEAY-JOCHJYFZSA-N 447.536 0.897 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949831 WVDJANFJRJOEDE-QFIPXVFZSA-N 428.489 0.543 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cn1 1839186677 IUCZXJZBLYESOC-JOCHJYFZSA-N 441.463 0.744 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1839224927 SCJBSZDNBBLCDG-LIRRHRJNSA-N 439.538 0.905 30 20 ICED COc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc(F)c1F 1839384044 PXICXJZGDPFZIJ-FQEVSTJZSA-N 438.383 0.131 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1839681003 BFCGHIMNDYNIIQ-KXBFYZLASA-N 430.523 0.924 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)CC1 1839898030 ANZNTBOCZXBRQN-KXBFYZLASA-N 425.482 0.197 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cncn1 1840420214 DQXSZOUVCQLIAJ-YCRPNKLZSA-N 442.451 0.620 30 20 ICED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840525423 HTBKLPULUNWLQW-QFIPXVFZSA-N 431.489 0.820 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCSCC3)CCO2)C1 1840923993 XLFOYWUPDBSVSV-OAQYLSRUSA-N 438.594 0.868 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808683 YWHMYXVOMJNWHT-AWEZNQCLSA-N 434.456 0.426 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1844284166 DSHNXKGBUQQDFN-LJQANCHMSA-N 427.457 0.799 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 16557827 CQIBXQAPVXSINI-UHFFFAOYSA-N 427.438 0.740 30 20 ICED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 16764361 NVDSTZHHKLYCAD-UHFFFAOYSA-N 442.453 0.932 30 20 ICED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 434693534 GBEUUZFCXAGOIO-JTDSTZFVSA-N 436.534 0.744 30 20 ICED N#Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(OC(F)F)c1 437867650 BBHFPDVNBTTWGX-INIZCTEOSA-N 442.488 0.581 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCOC1 441924688 QMONAXMUKWHUOG-QGZVFWFLSA-N 427.526 0.520 30 20 ICED CCCc1c(NC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)cnn1-c1cccc(C#N)c1 443767846 BOBHWEOYJHFNDE-UHFFFAOYSA-N 449.475 0.953 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 444503979 XVOOVGDPDJJNKN-UHFFFAOYSA-N 446.414 1.321 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 445610833 SQHDUCUYSUCICS-UHFFFAOYSA-N 425.493 0.952 30 20 ICED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)c1C#N 461194894 MQRGKPZKGMUWPW-UHFFFAOYSA-N 447.542 0.981 30 20 ICED N#Cc1ccnc(N2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CC2)c1 462289798 BPEXEWOFINQICC-QGZVFWFLSA-N 440.485 0.055 30 20 ICED CNC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 469739743 ORSCRVNTEUHVOT-UHFFFAOYSA-N 427.465 0.412 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)cs2)c1=O 481977866 YSQYRHDLPSXRJB-UHFFFAOYSA-N 442.522 0.578 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(=O)(=O)NCC#N 483929507 VSZGADPDCTUUIU-QGZVFWFLSA-N 433.534 0.176 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 491099771 GPZHYMWSIWWRJK-UHFFFAOYSA-N 445.911 0.365 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 491196245 BIHPTAZVSFTKAW-UHFFFAOYSA-N 437.504 0.734 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2=O)cc1 505166864 WEQWDCLSWGCSPV-GOSISDBHSA-N 430.428 0.784 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510340714 JCHPVLPICZSWPY-UHFFFAOYSA-N 428.536 0.063 30 20 ICED CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 515394711 IDBUINGBICNHOS-UHFFFAOYSA-N 425.493 0.962 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCO3)c1=O 515699134 MCZSGELIXDBMML-UHFFFAOYSA-N 425.466 0.186 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(OCC4CC4)nc3)CC2)c1C#N 516671099 KSJHHMBZPYGRPO-UHFFFAOYSA-N 437.504 0.749 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1=O 523381804 PRUWWZYUPGPZPM-UHFFFAOYSA-N 436.490 0.820 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cccc(C)c3)c2=O)cn1 523861124 WDQMQGJMNQBWOD-UHFFFAOYSA-N 437.525 0.690 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1 544868957 KSTCJPSDLKFOLY-MRXNPFEDSA-N 449.533 0.494 30 20 ICED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)CC1 552520951 NVCQDSJOSFAVBQ-UHFFFAOYSA-N 439.564 0.277 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554135097 DEIACHQKVMDNMS-QRVBRYPASA-N 439.516 0.539 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)cn1 568669072 MXPWOFMVEARVGA-UHFFFAOYSA-N 449.265 0.857 30 20 ICED COC(=O)c1cn(CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 577303096 IFMLPUCVWLIDNJ-UHFFFAOYSA-N 425.449 0.997 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 585722433 NTGBHVIAHZKWBM-KRWDZBQOSA-N 444.511 0.109 30 20 ICED CC(C)(C)Nc1nc(=NC2CCN(CC#N)CC2)[nH]c(=NC2CCN(CC#N)CC2)[nH]1 587972862 GGPVCQZLVRMJOR-UHFFFAOYSA-N 426.573 0.726 30 20 ICED CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 604484555 XLZPMCUIUCFOOD-INIZCTEOSA-N 444.517 0.308 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 604528914 UVQKCZUYOMBDPU-UHFFFAOYSA-N 431.430 0.773 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CC1 728530899 YFMAGCBZNXJTOA-UHFFFAOYSA-N 438.385 0.932 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 729282036 VXUPOLFGTFNDOH-SFHVURJKSA-N 440.500 0.304 30 20 ICED COCCNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 729287000 YEVRMWXGBNYXHP-ZFWWWQNUSA-N 425.507 0.834 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 734551006 CGFRZYJDBRPHGM-UHFFFAOYSA-N 425.463 0.315 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 746814062 NGKPEYYOAFKMAF-KMEDIVRHSA-N 449.533 0.552 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 749561978 QWSIYRWYKYSMSJ-OZNHZTKRSA-N 438.440 0.937 30 20 ICED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 754773059 OMYJTZDKUJDERC-NSHDSACASA-N 430.280 0.621 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755619634 PCXAZLNXDFAZPI-OAHLLOKOSA-N 448.570 0.893 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(CNC(=O)c2ccccn2)CC1)c1cc[nH]n1 772440325 ZHGWHVMXNLIPPT-UHFFFAOYSA-N 442.476 0.757 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 773801148 XBEIWTNVSASROO-HZPDHXFCSA-N 439.465 0.082 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)cc1 777173493 CPHSCRAYVOJOTM-WSRQSJKRSA-N 445.505 0.503 30 20 ICED N#Cc1cccc(OCCCCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 778119520 YDPXNHDFCJTTSW-OAHLLOKOSA-N 437.474 0.663 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)c1 778865041 UOWCLGUOULQVJF-XQNSMLJCSA-N 447.473 0.446 30 20 ICED COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 781655047 YXGZWRPUPMAQSW-UHFFFAOYSA-N 429.498 0.933 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H](O)C2CCCCC2)CC1 782373605 YGYBXLLPFKPISD-FQEVSTJZSA-N 449.529 0.876 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1C#N 784974220 ZIQLCJJYWKFRMI-MRXNPFEDSA-N 433.465 0.217 30 20 ICED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785206654 RLRUOLSBBAVMNU-PSXALWSISA-N 442.563 0.663 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 788618104 RNWAZLLLVOPMPJ-UHFFFAOYSA-N 433.939 0.552 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)c1cc[nH]n1 800654321 OUEDOUJGKWLWHZ-UHFFFAOYSA-N 441.510 0.110 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNc3ccccc3C(N)=O)CC2)o1 808582659 HNVWHDQVFBTRNE-UHFFFAOYSA-N 426.433 0.258 30 20 ICED COCCOc1ccc(-n2nc(C)c(C(=O)NS(=O)(=O)c3cncc(C#N)c3)n2)cc1 813983299 OYJHESDQKJEIII-UHFFFAOYSA-N 442.457 0.986 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)N2CCCC2)ccc1F 914658862 LTFPLCSODVWRSA-UHFFFAOYSA-N 427.454 0.185 30 20 ICED O=C1Nc2cc(N3CCOCC3)ccc2C1=NNC(=S)NCCCN1CCOCC1 915942342 LVDRWHZYMMYFOP-UHFFFAOYSA-N 432.550 0.366 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCCN2CCCCCC2=O)c1 919021277 ZGFKYZNRNBLTDR-UHFFFAOYSA-N 449.529 0.664 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1313856109 WSKLCDAKJTWLKV-UHFFFAOYSA-N 429.510 0.462 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccs2)C1 1505140412 JEOUDLIIXFVDIA-WBMJQRKESA-N 441.514 0.558 30 20 ICED CC(C)Oc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1509816934 PBAZOAOAYRDHSY-GDBMZVCRSA-N 449.537 0.848 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1519620318 PYHXMOHOTRAAFP-HNNXBMFYSA-N 440.913 0.788 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1664352692 IXRGOVCJEXSAJY-TZMCWYRMSA-N 435.321 0.897 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1692786428 OFGWVMBHRDMOOZ-ZFWWWQNUSA-N 444.583 0.453 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1741082315 RPGSHWYZKLCHKJ-QGZVFWFLSA-N 425.493 0.922 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCN1S(C)(=O)=O 1770661173 FPEAZMIYGVLOQJ-YWZLYKJASA-N 446.533 0.438 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778595045 UJHWTFOBPCWRNO-IIHIVLJSSA-N 425.493 0.645 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c(=O)[nH]c1C 1779134651 MAMOIRSYEXYVKH-ZJHLSYPMSA-N 427.461 0.542 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779245326 XZTJRODEHFRROO-PDSXEYIOSA-N 434.541 0.407 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)o1 1779422365 FHHVLINDVSGEGM-ZRLKZUIBSA-N 449.508 0.963 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779872529 AQZVFBUVVRKFHQ-QHCPKHFHSA-N 448.483 0.523 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1783417341 ZESSGNCUEAZPDN-VRWDYKOXSA-N 439.512 0.852 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783557606 IRTQSHUNYKEIDE-OAQYLSRUSA-N 433.461 0.081 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783685471 CPSWSBMKEFMCAZ-JOCHJYFZSA-N 440.537 0.316 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1783766564 ZAPXJJPHHMXACA-VFNWGFHPSA-N 441.525 0.905 30 20 ICED COCCOCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783901751 WYPHJQBWFLUBOL-YLJYHZDGSA-N 448.582 0.221 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1784502366 POYHNCCYPYSWKB-XSLAGTTESA-N 442.520 0.926 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1785573273 ULVJPAKEYIEFSU-AOMKIAJQSA-N 445.520 0.780 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788004061 CKBMJYGQFMJFBD-UOVPBQLFSA-N 427.505 0.896 30 20 ICED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676713 AMZLACQIZBQSAH-RJYGJTLRSA-N 439.472 0.486 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c(OC)c3)[C@H]2C1 1789600787 GSYCCTVELJREHQ-XQFGLIHHSA-N 443.500 0.853 30 20 ICED COc1cccc2c1C[C@H](C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]31)CC2 1790764793 AATPTEKCUVITFM-IGGJEDBVSA-N 440.496 0.868 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)C[C@@H]21 1790788836 GKOIBLDRIPEAHC-JHWSBEJJSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3O)[C@H]2C1 1790896172 XKWHHPSDHGOPIG-FBMVRSEGSA-N 427.501 0.773 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3CCOC3=O)c2c1 1793164642 OZNJLPLIZOCZID-ZSBFGKGUSA-N 438.444 0.090 30 20 ICED 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)C1)C2 1793343101 KPQURXMRUFUIOU-FKSLSLAPSA-N 449.548 0.871 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1793381571 XVEYRMBITQPPHE-XFIYOXNOSA-N 445.582 0.416 30 20 ICED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)C2 1795081737 NQZAXDIGRPPXER-IZZQQSIFSA-N 426.473 0.949 30 20 ICED O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795837362 RFLTWAZABWFDGJ-RGCDKQNKSA-N 449.533 0.687 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797183592 HZPBPMYFPDLXNZ-UYZIEWPDSA-N 439.512 0.660 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nn1 1797815255 MVADAAISGMUGPH-TYGXFAMMSA-N 447.492 0.608 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)N1CCN(C)CC1 1799179728 WBBAWMHYULZYSG-JDLLUZBXSA-N 439.560 0.326 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800290348 XTZHAGHSMYUZLJ-LORHWOILSA-N 445.520 0.458 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(Br)cc(F)cn3n1)C2 1800455532 FQXWTAQXSYOWRR-WDAIWFPHSA-N 436.241 0.467 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC 1800960684 YJFLWRDUDCPYNP-KWXDATOUSA-N 448.516 0.841 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1802413389 DPYUNNQUMABTLJ-VWEBPMOJSA-N 435.477 0.085 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]1c1cccnc1 1803588097 OQQJXIBOUPJVJX-GJCIYHRCSA-N 441.532 0.861 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806852071 LCWHEQVWJBUQGO-VDZJLULYSA-N 447.499 1.000 30 20 ICED CC(=O)Nc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)ccn1 1808927357 XQXXSBNJELBREC-UWJYYQICSA-N 435.440 0.843 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1811890491 JTIKRSBLNRJUBF-NSHGMRRFSA-N 446.467 0.871 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2CS(C)(=O)=O)[C@@H]1c1cccnc1 1812526065 PWWWVTBPDOUICG-OXJNMPFZSA-N 426.498 0.974 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814054003 FLRKVJHQBSAPKV-QZLZEDEMSA-N 435.506 0.863 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#Cc1ccccc1)CC2 1815056769 QXASBTFHZFSARO-GJZGRUSLSA-N 425.514 0.700 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026199 FKWPUAGWZICOFM-SJORKVTESA-N 437.541 0.262 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)CC=C)C2)C1 1829771189 LASHTJPZEOIYNL-VOFKWLDRSA-N 427.448 0.513 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1830056541 DUYLJCGFRSOUBS-JOCHJYFZSA-N 441.488 0.675 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063131 JNLZYIHXRFQJER-UZUQRXQVSA-N 442.516 0.811 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1831386509 HAGISWRLXAMCQU-QVKFZJNVSA-N 435.546 0.797 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C)cn3)C2)C1 1831388659 ZYLQYRLXORBWRD-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1831393010 IZJZTAZITHABTP-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1831401395 BEFXALJILJDLEO-UTSGNWPNSA-N 442.512 0.875 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831477718 AXFPXVILADWQPO-QFIPXVFZSA-N 428.489 0.543 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)c1 1831665991 AKBSNTRBQOZJLY-GOSISDBHSA-N 447.513 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)CC1 1833077462 ZATMCTQTMATRIZ-PFUNHABYSA-N 446.592 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3csc(N)n3)CC2)CC1 1834747806 BBXPJFQEYVNHFX-ARJAWSKDSA-N 446.577 0.769 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1834763699 RVYOTBMUMXMLCK-FQEVSTJZSA-N 430.417 0.513 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835677378 GXXNOQCWHBCQBF-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1835716914 CTKVZBDOGKQPJO-LJQANCHMSA-N 434.537 0.925 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836080762 ZAQKNSCCEGEYAM-FOIQADDNSA-N 438.550 0.419 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1836661066 BJZIZQXQWLKQTP-JOCHJYFZSA-N 428.489 0.948 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837403415 MGEDPNVJZDKXMT-XMSQKQJNSA-N 443.504 0.601 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465786 JKCKSKPQYPFNJQ-LAUBAEHRSA-N 438.594 0.695 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837640596 QAIKCQVNGJVUBD-DORXLWPQSA-N 429.473 0.322 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838414800 MGTFXZLIIHNAHR-OAQYLSRUSA-N 442.497 0.239 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838671475 KPELWFSVTRZBKB-JTSKRJEESA-N 433.505 0.739 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)o1 1838734617 GHSGUQCXXDQKGV-FQEVSTJZSA-N 428.449 0.324 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839080589 BNAKIJBSTOPWLK-YVHKJVDXSA-N 432.521 0.394 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccccc1 1839163224 FOOCDUMWTFVGIR-IZIIKQMZSA-N 441.528 0.775 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)c1 1839421206 BLOUNBCUMZVDDN-OAQYLSRUSA-N 441.419 0.577 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839484153 ZPJUFTMTMMCLDH-HXPMCKFVSA-N 449.489 0.859 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839661990 RTYLIYFYKAQZHU-QFIPXVFZSA-N 432.521 0.692 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839890128 JHZAHBGRLVDBIV-IBGZPJMESA-N 440.447 0.783 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840088321 YKSKJGLKYPIEMU-QVKFZJNVSA-N 438.525 0.906 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840176580 NFNRCOPLGLTBOS-FQEVSTJZSA-N 440.493 0.875 30 20 ICED C=CC[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1)NC(=O)OC(C)(C)C 1840795653 UUVMYELQNXIWRC-KKSFZXQISA-N 440.541 0.261 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)NCC(C)C)C1 1843434489 VODGKESTKBDQCQ-MRXNPFEDSA-N 434.537 0.879 30 20 ICED Cc1c(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn2[nH]cnc(=O)c12 1844656418 PGKGAMNMIYWEAO-JBXLXGEISA-N 442.476 0.677 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)cc1C#N 1846035179 SSALKXCDSKHRIZ-UHFFFAOYSA-N 444.532 0.449 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Br)c1 24971710 QTSCVHBXPGLEPC-UHFFFAOYSA-N 448.295 0.673 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 63423736 VHTDRJCTAJTWEZ-UHFFFAOYSA-N 432.440 0.657 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCn3c(O)nc4ccccc43)n2)cc1 428163499 VEJXIPBOYBLNQI-UHFFFAOYSA-N 430.428 1.008 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1=O 440253462 HILFKPCFTQDWET-SFHVURJKSA-N 428.489 0.779 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3occc3C)c2=O)cn1 440378856 GWNBJEFCQDRDFE-UHFFFAOYSA-N 441.513 0.673 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 443091220 ZIVYGGGDWFSBQK-CYBMUJFWSA-N 438.462 0.889 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1=O 444503335 UNPGMKMUFPKEIZ-UHFFFAOYSA-N 445.277 0.702 30 20 ICED Cc1csc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 460605862 ILVXONZRVAFLRY-UHFFFAOYSA-N 436.501 1.500 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1 467612843 KAGRSOKKQXUQDB-DJJJIMSYSA-N 435.506 0.993 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 477028424 FISRGPUWYGRXHH-INIZCTEOSA-N 442.501 0.484 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCOCC 479394518 RRFVWPKAROAYJK-UHFFFAOYSA-N 428.514 0.545 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 500009464 DIURKROCNBMHAS-SFHVURJKSA-N 438.525 0.377 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1Br 500037597 UEXAHUGPIRKZPN-UHFFFAOYSA-N 429.296 0.786 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCCOC)cc2)c1=O 501261393 XKVCEWUMCVVHJZ-UHFFFAOYSA-N 431.514 0.221 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 501483067 WCSRAWCHUBOCOA-UHFFFAOYSA-N 426.502 0.901 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1 501601033 UHPZQZKYJSNNQQ-KRWDZBQOSA-N 426.521 0.219 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 501920017 LLMJBZAHXHBAJF-SWLSCSKDSA-N 435.462 0.355 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505681736 AACHOPBCBHHKBJ-CQSZACIVSA-N 432.571 0.814 30 20 ICED N#Cc1cccc(F)c1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 506459005 IQDZEUOMCGDHRQ-UHFFFAOYSA-N 431.493 0.903 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 506894480 IOXHMIMJUWQQBI-HNNXBMFYSA-N 447.473 0.692 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 532311494 QCHPAZUEENVPIH-GFCCVEGCSA-N 432.444 0.845 30 20 ICED N#Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)C2=O)cc1 533495711 YJOXNNCENOYTSV-INIZCTEOSA-N 443.485 0.362 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CCN3CCCC3)c2)CC1 538784500 VDDVZOCLEZENKY-UHFFFAOYSA-N 427.549 0.710 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542084489 JXWCYJPOAYATPH-UHFFFAOYSA-N 443.895 0.616 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 553561573 MPNLQZQKGFEKPY-DOMZBBRYSA-N 434.440 0.604 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 555245570 KHGSZNNEPZVVAT-IRXDYDNUSA-N 438.598 0.793 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 557892919 XCVQYHBJKNRAGV-UHFFFAOYSA-N 445.568 0.254 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568318142 YXAANTCJLGCAJD-FUHWJXTLSA-N 426.473 0.972 30 20 ICED N#Cc1cc(F)c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Br 568812598 JOOORPCLEAWBFO-UHFFFAOYSA-N 425.258 0.967 30 20 ICED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576675352 JOIUQHUCVFHTIR-UHFFFAOYSA-N 425.493 0.894 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 577139204 LRNCUDPTTAOSOE-UYAOXDASSA-N 449.502 0.273 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1=O 581717492 DZEVSNHGOQVMRE-OFLPRAFFSA-N 436.578 0.482 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582815901 GWAWZULCZWCLPN-AWEZNQCLSA-N 425.449 0.173 30 20 ICED C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cccc(C#N)c1 585710333 UYQCUBXOPSNUHH-HNNXBMFYSA-N 433.468 0.624 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc1[N+](=O)[O-] 609449420 BZTAKBSIPNPCDS-UHFFFAOYSA-N 438.462 0.757 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610683938 ZOVJDKHIARNPNM-JKSUJKDBSA-N 434.504 0.946 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613103430 FGFNHSHYTFJMKA-WBMJQRKESA-N 433.432 0.121 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1Cl 730406530 ZALFRPGLBBBSLD-UHFFFAOYSA-N 439.858 0.861 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 731862714 KNNMZDIIACJFPY-IGGDJGDASA-N 432.502 0.872 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCS(=O)(=O)C1 733957196 VHEDWFMLDXWHFE-HIFRSBDPSA-N 427.548 0.977 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735003576 HAKMPTCBDFGPTD-XLNRJJMWSA-N 447.517 0.929 30 20 ICED C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 735116935 URZZTFRQXJCEIE-SHQVNNEXSA-N 437.456 0.628 30 20 ICED C[C@@H](CC(=O)NCc1cccc(OCC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742768792 KRSIXRCERDLCDZ-ZDUSSCGKSA-N 430.486 0.684 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c21 750687907 QPFSTULKIKVIFS-NSHDSACASA-N 438.400 0.414 30 20 ICED CCS(=O)(=O)CCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 760059325 PMLAAJKWKRWAET-UHFFFAOYSA-N 427.548 0.852 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 767840439 JUTJHNFDTKTHGV-RNODOKPDSA-N 441.469 0.723 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCC(C)(C)O)C1=O 774294662 FMBZKBHMIJRKHC-HGNXGAGXSA-N 442.563 0.431 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)c1 774384964 SJPQSGOJANHIFI-PGMHBOJBSA-N 436.490 0.413 30 20 ICED COc1ccccc1C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776684100 SSEWEVMIOZMFAQ-AWEZNQCLSA-N 431.470 0.793 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782793786 USGSSPAHIWMWBE-UHFFFAOYSA-N 434.319 0.067 30 20 ICED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784785223 RJHJNVPUJDOCAG-QIAIEURZSA-N 435.506 0.127 30 20 ICED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785080673 FKQBYFUZPDDDHW-ZOAKPAGHSA-N 449.533 0.565 30 20 ICED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 789921291 KUAOJGSPAKWJJI-MRXNPFEDSA-N 430.486 0.801 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1cc[nH]n1 789997405 IFJADENHKAPSNF-MRXNPFEDSA-N 443.460 0.929 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)nn1 790836763 QGIJJCUACYYAMV-UHFFFAOYSA-N 441.267 0.119 30 20 ICED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790839513 OFIKCAVUHUIEIF-LBPRGKRZSA-N 436.309 0.550 30 20 ICED C#CCC[C@@H](O)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 799072995 YOIAQQDHEFUAGM-CQSZACIVSA-N 445.335 0.974 30 20 ICED COc1ccc(C(=O)NCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918326250 MCZWSJWVCMVHAN-UHFFFAOYSA-N 430.486 0.670 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OC 1116880948 OTABDSBZICOVJN-CYBMUJFWSA-N 435.296 0.831 30 20 ICED N#Cc1cn(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(=O)nc1O 1136461540 JDIZKOWXQZMAIW-KRWDZBQOSA-N 437.504 0.276 30 20 ICED CS(=O)(=O)c1ccccc1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1177354485 QLIOGEWMWCLLNY-UHFFFAOYSA-N 435.527 0.878 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)c1C#N 1254643809 ZLCUMIKUOGEROY-IBGZPJMESA-N 444.584 0.228 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1261112149 OFBIAZHPEXHRON-OCCSQVGLSA-N 432.424 0.850 30 20 ICED CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302449660 JRFZKBBVHDYYGA-MRXNPFEDSA-N 435.554 0.125 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CCO1 1303010346 URICTXQOEDMPKK-SFHVURJKSA-N 444.467 0.974 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)CC1 1312884625 KLTOKVPZQMHRSN-HXUWFJFHSA-N 446.577 0.755 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1313991501 SMULVAXSXNHSJT-IBGZPJMESA-N 439.520 0.490 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CCO1 1316540797 OFYIAIRRUXHREK-MGPQQGTHSA-N 429.593 0.758 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1502729250 MWIZAOJMCIOSGJ-UTKZUKDTSA-N 434.541 0.770 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1512406520 KXLCDQOJWOJPIJ-OAHLLOKOSA-N 443.533 0.519 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1512586756 VSUJHAVUPCRAOQ-KUHUBIRLSA-N 434.522 0.342 30 20 ICED COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1554704920 LAOFDZJJLZKWNA-UHFFFAOYSA-N 426.477 0.813 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993436 OIWMUWDRWPVWIB-CABCVRRESA-N 425.511 0.188 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1598066225 YYJYXBBBXFRSRO-KRWDZBQOSA-N 444.941 0.054 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1643118648 QFUJSYFSEVDDSU-BDJLRTHQSA-N 432.424 0.895 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)CC1 1692850070 QUZHDFXJKKYUJP-UHFFFAOYSA-N 438.492 0.914 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1706004338 KAJNDCWXVTVDFU-INIZCTEOSA-N 427.557 0.900 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1710973365 WBSVMNGXGOIZQW-FUHWJXTLSA-N 439.524 0.407 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1769137412 QOKJEFUWJQMNMR-UHFFFAOYSA-N 435.492 0.781 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1778977939 AWWCAHFJFUSWKL-ZHSNQQFMSA-N 433.549 0.790 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779134262 DRPNKISLTBLORP-SVRLSDIQSA-N 430.421 0.333 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)NCC)C2 1779334982 COIGEWSDWLXLCV-NRVIRDBHSA-N 438.569 0.781 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1781171331 SAVHDJABGFRLTD-HXOBKFHXSA-N 440.500 0.465 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1781270316 GZQNFAPPJMTSJS-OAQYLSRUSA-N 427.461 0.682 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1781398857 XKCMCAUIEZOHMF-VGOFRKELSA-N 446.552 0.963 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486681 RRFLZLZYVOJRLF-CBGDNZLLSA-N 433.509 0.558 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781757846 KJHHSVTVPQHOCU-PBPYGMEZSA-N 444.488 0.758 30 20 ICED COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CC1 1781812154 WJOYBIQJQTYFJX-XGHYCODVSA-N 434.537 0.925 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(CNC(=O)OC(C)(C)C)CCOCC3)[C@H]2C1 1784323431 SFXMOHFJPRAABW-BZSNNMDCSA-N 449.548 0.921 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1784747461 YSHVRLOZBIBCER-FQEVSTJZSA-N 437.493 0.504 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1785379797 UGFWBFSNTXNVGM-OAQYLSRUSA-N 426.429 0.561 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788571412 KKJADHPNARWSAJ-CAMMJAKZSA-N 446.548 0.687 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1NC(C)=O 1789279946 WSPCWWQPSUWUIW-BXWFABGCSA-N 443.456 0.335 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)n1cncn1 1791610620 HTVGQQXTTBRGDL-XWSJACJDSA-N 429.521 0.517 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791893200 UILAKZGNRQULPC-FHWLQOOXSA-N 441.532 0.661 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c1 1791985211 XWRJQCJIUWCOPI-OITRIXBGSA-N 441.532 0.500 30 20 ICED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)c2C1 1794522713 DURDBCQFIPSIMN-FVCICTRLSA-N 444.492 0.777 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1795601264 ZINWYJVEGGSDDH-IYWMVGAKSA-N 428.533 0.461 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1796045008 KVPVXDIKQILWIZ-BTTYYORXSA-N 448.549 0.372 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)nn2c1 1796382024 XTYBRMMEYMOCJR-CLLJXQQHSA-N 446.261 0.832 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1797812527 VFBUXKWXUUQQBM-CVNGWDAJSA-N 442.476 0.462 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1797867463 GRIMBKHPGJWQKU-DEYWJSPQSA-N 448.483 0.370 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1798394593 NFRRJGMDEZMQHD-XMTFNYHQSA-N 441.594 0.869 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)c1 1798579798 SNUJTJRVJSIDFU-NBMJBFSESA-N 447.513 0.347 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cn2[nH]cnc(=O)c12 1798693802 SNOJUANRJOHKSM-XOIINTDNSA-N 435.444 0.048 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4cccn4)nc2)C3)c1 1798693813 UNGDUYOLYYNWCL-XEMDLRDOSA-N 431.456 0.984 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1799233386 WUZYSGDLGSZISR-SFNKJDCFSA-N 437.537 0.919 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3nccnc3C(N)=O)C4)c2c1 1800877012 RSNZNYJGNNNSFE-BTTYYORXSA-N 444.455 0.889 30 20 ICED C#CCCC(=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 1802024506 MTZYVJOETBDQGN-UNMKOGDSSA-N 435.521 0.361 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCN(C(=O)CC#N)[C@H]2c2cccnc2)CC1 1809492263 NVLROQZLUFRFOG-HKUYNNGSSA-N 433.534 0.673 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc(O)n3c2CCCC3)[C@@H]1c1cccnc1 1810592739 BTEZWQDJICWQDO-YWZLYKJASA-N 437.456 0.728 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)[C@@H]1c1cccnc1 1812877471 JGZXBLLADRAKNN-RQXXJAGISA-N 438.484 0.576 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3nn[nH]c3C(F)(F)F)sc2C1 1821647755 GOBPVEXJWKDXQU-ZCFIWIBFSA-N 428.352 0.594 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1823749439 PAMKGHIQVFFSGY-RJCMGOLDSA-N 430.549 0.991 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829959384 DYQJBSMDJCFUOD-ZHRRBRCNSA-N 444.463 0.294 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1830053603 ZPCWOSFPMMIHFW-XMSQKQJNSA-N 429.473 0.833 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830626718 UYBXAGMNEYGARE-WMZHIEFXSA-N 436.549 0.548 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1ccnc1 1830977341 PIQSJSXMUWCKPR-UWJYYQICSA-N 432.525 0.182 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831174099 DQTZZMBCFLPKOF-GAJHUEQPSA-N 442.516 0.472 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1C(F)(F)F 1831208954 CHAKHMAFPRCACU-LJQANCHMSA-N 440.422 0.922 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1831213340 MOPRAWUFJJYCCK-JOCHJYFZSA-N 426.448 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1831396943 TVAMOXOCXONCQA-GAJHUEQPSA-N 440.500 0.682 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1831401747 DTPFSZKOEYIOHP-AVRDEDQJSA-N 432.521 0.466 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1831404497 PRHURQQRSXBQHB-JOCHJYFZSA-N 439.553 0.732 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1831433623 KNTKGKVSTVTDDY-GQIGUUNPSA-N 428.482 0.596 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831435351 QMIKZCTUTZEJBF-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831487999 UQEUREOEQVBHOE-YLJYHZDGSA-N 433.534 0.754 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1=O 1831888138 TWNDFEQTMJCWQO-HSZRJFAPSA-N 436.468 0.641 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1831997644 DTVWYWSAQLBJST-HRAATJIYSA-N 441.525 0.559 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1832446834 IFJMCQZRNOSEBB-GOSISDBHSA-N 432.564 0.268 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnc3C)CC2)CC1 1833076616 CCQQRUNUQMCTRJ-PLNGDYQASA-N 442.564 0.622 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C)nc1)CCO2 1833125992 LADZCOZCOLBDHT-KSEXMQBYSA-N 442.516 0.247 30 20 ICED COc1ccccc1OCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833185682 MTNLJMUMWQGZMR-UHFFFAOYSA-N 443.500 0.734 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833491510 OFCFCXIRTFNXJY-FUHWJXTLSA-N 444.598 0.577 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833492145 XJSYVOUUQSSLBL-RTBURBONSA-N 442.626 0.664 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344488 HZJQGKIQZLOGIZ-HXUWFJFHSA-N 433.534 0.712 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1835678755 HAOKRDWUITUKMO-LJQANCHMSA-N 445.564 0.878 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cncn3)CC2)CC1 1835718589 QSKKCNKAYBBPOV-QFBILLFUSA-N 432.569 0.984 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1 1835732701 YAPBKBQLVRPMHD-JJIBRWJFSA-N 429.569 0.996 30 20 ICED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750242 MQMDSDUJEACQNT-UHFFFAOYSA-N 432.565 0.345 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1836924344 BERCUAJJKXJSHQ-JOCHJYFZSA-N 441.440 0.335 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1837367753 UCEKKWKKGLBRCA-IVZQSRNASA-N 439.472 0.260 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837377125 IGVIVIGABNPCAU-FDDCHVKYSA-N 442.516 0.202 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1837399600 XKFSHOAONQHMMD-BSRJHKFKSA-N 447.532 0.439 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837429324 SOQAJZRRLLGMOZ-FQEVSTJZSA-N 433.585 0.926 30 20 ICED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cs1 1837489616 OAWCHDOHIJRWQD-NRFANRHFSA-N 448.545 0.494 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837525390 VMLWVRNUXYTQSM-UZWDYZERSA-N 432.477 0.681 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837532214 AMZPDPKFXBFFIZ-LEGPSTSBSA-N 439.843 0.803 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1839066848 WFJWSOHHVACTTM-ZWTIIMOHSA-N 432.521 0.497 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839223538 YXARUWJIUAYKLY-HRAATJIYSA-N 440.541 0.406 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839226681 UMNJAXVDAHEHLF-LAUBAEHRSA-N 439.509 0.753 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421200 BEQGXGCGUXCHMC-NYHFZMIOSA-N 444.463 0.458 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839641343 FPGZIMIPTIDDMT-CPXNXAAISA-N 440.541 0.312 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908498 IEGWKASYRKNTEH-WMZHIEFXSA-N 432.517 0.964 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840159907 QKFONLBHRQBLAC-BBATYDOGSA-N 437.547 0.662 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1841583689 JQSKKSNJIVUSMR-HNNXBMFYSA-N 434.518 0.468 30 20 ICED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058836 HOWFWUYCMAMECL-WUJFOHIQSA-N 439.472 0.908 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)[C@H]1SC(=N)NC1=O 1843409742 IGBTYSJFNNUCDC-CXAGYDPISA-N 441.513 0.943 30 20 ICED Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)cn2[nH]cnc(=O)c12 1844301483 QKVAVYDQUOZZOT-APBDUKPZSA-N 442.476 0.677 30 20 ICED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582509 KRLBPRQXTFOITR-UHFFFAOYSA-N 425.518 0.736 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1845960867 VNRWTMZIPVZXPH-HNNXBMFYSA-N 434.493 0.629 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1 1846978300 QJIKCVVDLOMMFW-AWEZNQCLSA-N 433.509 0.652 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 21610208 YZGLDGVNNJNNBM-UHFFFAOYSA-N 427.454 0.781 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1=O 108223120 LOYFSVWLSUKTQE-UHFFFAOYSA-N 435.366 0.587 30 20 ICED CN(CC(=O)NCCNC(=O)Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1 109737880 GHXGVMGLCMNFMX-UHFFFAOYSA-N 432.477 0.793 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 410388086 KGYLVZSXCPMLAY-NSHDSACASA-N 435.494 0.163 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2Cc3cccc(O)c3C2)CC1 429301423 MBLCOIHYGGAMGS-SFHVURJKSA-N 440.525 0.854 30 20 ICED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 431306067 ORSFVLSMSYAWHC-UHFFFAOYSA-N 432.480 0.139 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435933135 DOBRELKFKDNKCW-IMJJTQAJSA-N 446.909 0.324 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 441628949 UPIIMMUZEKRCDL-KRWDZBQOSA-N 425.420 0.355 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCOC1 441939467 XYCCZEVGEAWSQY-HNNXBMFYSA-N 440.481 0.660 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441945241 HLHCLODASLCMEI-CQSZACIVSA-N 438.509 0.973 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 446512642 NYHYUDIVZXGNSD-SFHVURJKSA-N 449.529 0.447 30 20 ICED N#Cc1ccccc1N1CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 462271548 LSRNLEGSXLGTOG-IBGZPJMESA-N 439.497 0.660 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 469848841 OEUYXPBOKFSDKE-NVXWUHKLSA-N 434.518 0.275 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c1C#N 471708743 GVXMZEMZZPHATC-UHFFFAOYSA-N 441.517 0.755 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 473241872 KGPYXUUNRIJSKE-UHFFFAOYSA-N 446.467 0.897 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 480663504 NVIYEUHLRMIRRY-BEFAXECRSA-N 438.575 0.549 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)c3cnn(C)c3)nnc12 481878544 OMWDGHPIAZGOJM-HNNXBMFYSA-N 439.501 0.906 30 20 ICED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)[nH]2)c1 493926789 HDAGDAFMCSKWLD-CVEARBPZSA-N 427.486 0.600 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 511592823 MOOAEXLEDNSVSD-AZUAARDMSA-N 427.549 0.070 30 20 ICED CC[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)N1CCOCC1 513245602 ZNWALCKDUYXUDO-HNNXBMFYSA-N 428.424 0.575 30 20 ICED CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CC(=O)N(C)C1=O 513942648 RDSSWRXUKNXXPX-GOSISDBHSA-N 446.529 0.955 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)cc1 518454099 XKGXACVRIPSBEA-UHFFFAOYSA-N 429.520 0.803 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3CCc4ccccc4C3)CC2)c1C#N 550711306 VIBUZBBAMAFCMJ-UHFFFAOYSA-N 449.559 0.813 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 553829252 VBJZAAMCLUVRFX-UHFFFAOYSA-N 441.492 0.524 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 555665306 ZHQZJEQYJFBOMX-SFHVURJKSA-N 431.537 0.369 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 557501132 KEYMIKKAALQAHQ-HOTGVXAUSA-N 425.468 0.814 30 20 ICED CN1CCN(C)[C@@H](CNc2cc(NC[C@@H]3CN(C)CCN3C)c(C#N)cc2[N+](=O)[O-])C1 557573187 KTEZXVHUSBZXSQ-MSOLQXFVSA-N 430.557 0.782 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)c(F)c1 558041924 IACOGOMDMPZCCU-QGZVFWFLSA-N 437.479 0.921 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N(C)C[C@@H](C)C#N)c(=O)n2Cc1ccccc1 603893882 KSXQWWYJXXIIDT-INIZCTEOSA-N 438.488 0.672 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CCN(C)CC1 611492461 GWZGCNWHSOGFAL-UHFFFAOYSA-N 445.476 0.473 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@@](F)(C#N)C2)c1OC 615608553 RYLCDVYRQWOSKR-GOSISDBHSA-N 427.454 0.802 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)C1=O 726043154 QTTREUDOTYNQFQ-UHFFFAOYSA-N 428.401 0.272 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nc1 729012551 PSAIOFPVJPTXPR-UHFFFAOYSA-N 443.460 0.400 30 20 ICED COc1cccc([C@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC 729428638 FXQCIMNDBQYGKB-ZDUSSCGKSA-N 426.433 0.222 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(=O)N(C)C 731494932 PRRXRXNMHZMGLR-UHFFFAOYSA-N 428.489 0.251 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037110 NFYJABSUELNDDZ-SXXASDTRSA-N 425.441 0.573 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 749666237 GFOQAVIFIIXMLR-UHFFFAOYSA-N 446.508 0.814 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749855664 HCRZREJPRASFJL-OAHLLOKOSA-N 429.546 0.438 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 757600520 RTMJJQIJIKMLSR-IKGGRYGDSA-N 435.525 0.042 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc[nH]n1 772516636 ATTPZWOBZZAJBY-NSHDSACASA-N 435.387 0.893 30 20 ICED CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 772647337 JGAHHCQOOLJWLH-UONOGXRCSA-N 445.563 0.695 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 772929048 CCRBKPUUDSXMQO-PBQZTSCYSA-N 443.909 0.719 30 20 ICED C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775329774 NKSAKTDPUPMZRY-WOJBJXKFSA-N 447.557 0.905 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782791776 CFTXPZJBNFHCBU-UHFFFAOYSA-N 443.500 0.737 30 20 ICED N#CCN(C(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 786996871 MPVABAOTUBQICX-IBGZPJMESA-N 428.489 0.800 30 20 ICED C#CCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 799201555 CBNWTAVAEJPNBX-UHFFFAOYSA-N 434.518 0.892 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800903876 LPLKIEDASNRGQH-HUUCEWRRSA-N 431.559 0.818 30 20 ICED C#CCNc1nc(N[C@@H](C)CN2CCN(C)CC2)nc(N[C@@H](C)CN2CCN(C)CC2)n1 804440705 MRNAFCAQFZLVAF-OALUTQOASA-N 444.632 0.012 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917012155 VVNIRZHBZVZVGB-PBHICJAKSA-N 428.449 0.743 30 20 ICED COCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C)c2)c1=O 917767458 JXOZJQAUAZJJOL-UHFFFAOYSA-N 438.465 0.404 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC#N)CC1 1116167114 VGPCEISFKWFXTH-INIZCTEOSA-N 426.926 0.541 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)n1 1303830770 ZJYYYLLCCPDJOB-AWEZNQCLSA-N 435.558 0.780 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCC(=O)N(C)C)CC2)c1C#N 1304732196 YOYLAYYLZXOVFK-UHFFFAOYSA-N 425.541 0.949 30 20 ICED N#CC1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1316535528 RYEUVXHPHCKNPK-UHFFFAOYSA-N 430.534 0.944 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1C#N 1321636572 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IKCYLLSDBZQLSP-SFHVURJKSA-N 434.497 0.646 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2s1 1777990173 KLDITWPIVDOGAJ-FQEVSTJZSA-N 427.486 0.812 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1778362435 YMSCKJNQUHNYJA-WQTXXOFMSA-N 435.521 0.458 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779064908 JVOKTMOUZQWNLA-QHCPKHFHSA-N 437.500 0.871 30 20 ICED CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779101378 KSOLFXJMIUXZTL-WRJCRLLZSA-N 434.497 0.832 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134935 RODOYJOCCHZAAX-RHUWMCOTSA-N 425.445 0.336 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnc(O)[nH]1 1779780277 FFPHITJHJWKYGR-HLZPJYFYSA-N 435.481 0.772 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962249 SWHCXNYFJAABEY-QNZROTIXSA-N 442.476 0.702 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780040434 JGYZDEDDEKSFPG-XBHMSOGKSA-N 431.518 0.535 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781265458 NYUXUFVEJPLONW-JOCHJYFZSA-N 446.504 0.474 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCCC(=O)Nc1ccccc1)CCO2 1783557671 JGKRFZBITAVCDL-QFIPXVFZSA-N 427.457 0.713 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1783563667 WNZJJJWMHIJQDL-JOCHJYFZSA-N 441.440 0.565 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783904805 CEKPVUKCSFPXFU-VGOFRKELSA-N 437.537 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1784480402 JMIFGBGQXJNSAV-ZRTRKKQLSA-N 428.489 0.537 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643058 DOTHDXPPHLPIDE-YBTWFPHOSA-N 432.477 0.689 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786705673 XBTYNEYRSXWTOA-YVSFHVDLSA-N 438.525 0.546 30 20 ICED O=C(CCc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787043312 DAGQSIFFFSMUHK-SKQABBMWSA-N 445.520 0.918 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787961933 MADHUZSSGJEUQO-FHIHXZLISA-N 432.546 0.789 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1788576120 XTSHGCJTWNGVPZ-YHUYYLMFSA-N 426.583 0.023 30 20 ICED CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)nn1 1788603205 GUMSJGMXQZDOHL-IOGVMZDASA-N 444.536 0.940 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1791768202 FOTLKRMOSIGFTM-UFYCRDLUSA-N 447.557 0.905 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)cc1 1795320705 PISUUTHNTZZQIA-HGKCTWBKSA-N 433.530 0.908 30 20 ICED 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)C1(C#N)CC1 1795849990 IVGHOGNCQLHRRQ-XGUBFFRZSA-N 433.509 0.697 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1796448194 GIWTZSDIDGACIN-JXFQULDKSA-N 442.497 0.946 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797777444 XSNSPGFWTIJONR-NQVDRWKNSA-N 426.477 0.579 30 20 ICED 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 1799365794 WAVAUXQPPJXCDX-JAAXMTQOSA-N 431.555 0.170 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642791 UCUBDXVIFQKURV-AXRVMRSRSA-N 429.473 0.572 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800631147 ZOEAUZIIPOLGTP-OLPNXUKYSA-N 427.501 0.038 30 20 ICED 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 1800988897 ZAHDYTNBQCXRHE-DERJNBNXSA-N 443.566 0.122 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1800991492 HVKIUDICWBBCPW-CWPLJXCYSA-N 433.530 0.633 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O 1802041662 CTVZCVYHAAPYAD-BAYUQKDNSA-N 429.492 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2ccnn2)[C@@H]1c1cccnc1 1802489763 LWWAUNYDSPBWFW-WBBUDYLXSA-N 437.504 0.799 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)/C=N/N4CCCCC4)CC3)C2)N1 1806849520 UQWUCHOQQFZAIL-SITPEIFSSA-N 432.525 0.287 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810330813 MFKNKOODMZGODE-HBFSDRIKSA-N 440.500 0.894 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812529596 AQPXDYMZGAGHPR-SCTDSRPQSA-N 430.505 0.996 30 20 ICED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)[nH]n2)CCC1 1823376882 ONROSMADYVHIGN-ZDUSSCGKSA-N 436.436 0.535 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829903383 RKATYJQADPCJKS-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677094 SYEBDTIXMOGVMI-PGRDOPGGSA-N 433.505 0.490 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)Cn4nccn4)CC3)CC2)cc1 1833107385 CKHXKVPSBNMDEJ-UHFFFAOYSA-N 435.532 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833628572 VSCHPLJJLZZNBR-QVKFZJNVSA-N 435.452 0.338 30 20 ICED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)c(=O)[nH]c1C 1833938301 LYBMTNVNPBKAFY-UHFFFAOYSA-N 425.533 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833964519 BTGRRXFGSFDWKK-IBGZPJMESA-N 446.548 0.844 30 20 ICED COCCOCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834565595 BFILZJKMOXACIP-HAVVHWLPSA-N 437.585 0.693 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835056080 KSOCBBIVCZNPCY-ZWKOTPCHSA-N 437.585 0.578 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075894 LQJYEELHAZBKQY-AWEZNQCLSA-N 433.509 0.664 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095903 JRYLBAPKNAGRGI-MBSDFSHPSA-N 427.501 0.409 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1835102162 NHHLMRARXFPEKG-OAQYLSRUSA-N 441.513 0.405 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4-c4ccncc4)C3)C2)CC1 1835340988 LRGRDFKMQYAYQB-JOCHJYFZSA-N 436.472 0.641 30 20 ICED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835880052 PMERZJKYHUMEGB-QHCPKHFHSA-N 428.533 0.945 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)cnn2c1 1836950469 NEGULORPHVGKBI-QFIPXVFZSA-N 438.488 0.802 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837396594 GPNBZMDEWLRLHR-AVRDEDQJSA-N 432.521 0.439 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837488578 LHQIIWPYLHBTPP-QFIPXVFZSA-N 428.489 0.245 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1839072054 XRYUYXTXUNAQIE-QFIPXVFZSA-N 425.441 0.255 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1839174282 QTHBGNJIDSVPRS-NRFANRHFSA-N 448.476 0.192 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1839228208 VUXXKDLBCHCZSN-QVKFZJNVSA-N 435.477 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450868 LENYVBUXDDBDES-WZONZLPQSA-N 425.485 0.975 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5CC(O)C5)C4)C3)c2c1 1839486060 KDLYNLJJTLDODN-LGHDPPOTSA-N 439.472 0.275 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670367 FDPFWRBCGDIFJV-GOSISDBHSA-N 442.419 0.229 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839880600 WAAUXQZFWQMCDK-ZHRRBRCNSA-N 428.489 0.461 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840322337 YCZGABIZPJFRFX-NRFANRHFSA-N 430.461 0.293 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(C(=O)OC)cc1)CCO2 1840958458 IQAKPWKJNMPHRB-QFIPXVFZSA-N 432.473 0.885 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 18447222 MPRUEECOCJCHPB-ZFWWWQNUSA-N 444.531 0.342 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 25279788 GRHCTSJDHXIFHO-UHFFFAOYSA-N 444.469 0.720 30 20 ICED COc1cc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc(OC)c1OC 409498905 FXEVIBFNMBWARX-INIZCTEOSA-N 440.522 0.299 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 410145862 PTVAYYIZGGKRMP-ZDUSSCGKSA-N 430.508 0.336 30 20 ICED Cc1ccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1S(=O)(=O)NCC#N 428674327 IKOKTFUCLLBSGD-UHFFFAOYSA-N 441.513 0.981 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C 435200177 GEVNMTGVKFSZRW-UHFFFAOYSA-N 431.514 0.428 30 20 ICED CC1(C#N)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 435918093 TWAXIKXXSKHVEE-ZDUSSCGKSA-N 432.424 0.990 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 437095306 JSKOLYWPZXDQGN-SJORKVTESA-N 435.488 1.293 30 20 ICED Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446527866 CWBHMWODKPVMFR-UHFFFAOYSA-N 425.493 0.897 30 20 ICED Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465119427 HELNXJWVKCCYCF-CYBMUJFWSA-N 431.460 0.889 30 20 ICED N#Cc1cccc(CCNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 467779875 HQRYBSPECAJMQH-WMZOPIPTSA-N 444.469 0.949 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCSC 479365428 YKHXPEFOMIGPSU-UHFFFAOYSA-N 430.555 0.872 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 479837738 QRDXDQGTAVKQJW-HNNXBMFYSA-N 434.518 0.322 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 480966430 QTLWBDLHYSPKBM-HNNXBMFYSA-N 447.517 0.671 30 20 ICED COCCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 481013595 LYHZXJDIPUWPJX-HNNXBMFYSA-N 437.522 0.284 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 482493756 ALKMXDPSAHOVJE-VGOFRKELSA-N 442.541 0.978 30 20 ICED COCC1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 485262283 SLVJSPWLBPVJFU-UHFFFAOYSA-N 425.467 0.835 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 489019832 VFBUVLWZOGIWBS-CZUORRHYSA-N 425.466 0.662 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)nc1 490749279 RETMUKBFYFNDRX-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CC(=O)NCC(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 502657961 CFJPOROHHGBVCF-INIZCTEOSA-N 436.310 0.410 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)C[C@H]2COc3ccccc3O2)c1=O 504911958 OFPXAFSEZKDMSI-INIZCTEOSA-N 442.472 0.232 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 506320916 NBOAXAQUXYWHKN-MSOLQXFVSA-N 442.524 0.536 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)cc1 508421802 IKSCXZWBRJFGKH-NRFANRHFSA-N 442.564 0.743 30 20 ICED C=CCn1c(SC[C@@H](O)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 508440252 VROWPVLCDLFQNW-HNNXBMFYSA-N 440.547 0.597 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCCOC)CC1 508955555 HXKSSQRDDPKZTH-UHFFFAOYSA-N 442.520 0.787 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509193602 CRELRHDUJIDFSF-VGWMRTNUSA-N 434.588 0.434 30 20 ICED Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)NCC(=O)NCC#N)CC3)cccc2c1 511900215 FCNZZOZPGDLEOM-UHFFFAOYSA-N 430.490 0.199 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(CCSC)c1=O 512720681 NSXYTJJCPDWKEY-OAHLLOKOSA-N 447.586 0.287 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@@H](C#N)C2)c1 519273265 PYURPKZRLJXKKA-INIZCTEOSA-N 436.534 0.918 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 520556771 MFRLMLYOYVCNFF-UHFFFAOYSA-N 426.451 0.522 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCO2 522692089 VFTCMQJKTCRYNI-UHFFFAOYSA-N 435.465 0.166 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)n1 536981520 NBFCGNYYPGQTLC-UHFFFAOYSA-N 439.524 0.567 30 20 ICED CS(=O)(=O)c1nccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 552931875 BBJMLRCVHXFNMA-UHFFFAOYSA-N 428.430 0.962 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(COC)CC2)cc1 556046746 GVSJAROIGNVFOJ-UHFFFAOYSA-N 425.507 0.432 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 559502903 HFPAXNAYWNHIPP-UHFFFAOYSA-N 443.441 0.450 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 570195133 VVTNBCCLSZMOON-MRXNPFEDSA-N 441.467 0.705 30 20 ICED Cc1nsc(N2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 572085351 VCBWZTPYPLFJDG-SRABZTEZSA-N 429.502 0.524 30 20 ICED Cn1cc(-n2cc(C(=O)[C@@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)ccc2=O)cn1 577804518 LFJXMNHZKNYTHW-MRXNPFEDSA-N 427.428 0.994 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 579279068 SVIYHPTVASUKAM-QUCCMNQESA-N 428.533 0.717 30 20 ICED N#Cc1c(CCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)nn(-c2ccccc2)c1N 590420910 SNBAVRWOMGCZCS-CQSZACIVSA-N 431.522 0.290 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 599824071 KOGGODUUXGDLCK-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](n3ccnc3)C2)CC1 609157666 NGAPPRMQZLFMNA-LJQANCHMSA-N 442.545 0.925 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 611492446 AMPBQSMQVRZTPM-UHFFFAOYSA-N 444.532 0.721 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1OC 615637913 DOPHQKINVIYDOV-IBGZPJMESA-N 440.497 0.474 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)C1=O 671019407 PYXOCSNXVKKJBD-FQEVSTJZSA-N 427.549 0.560 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CC2)cn1C 726201524 XFTACDPOOHKQSP-IBGZPJMESA-N 439.538 0.727 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCN(CC(=O)N4CCCCC4)CC3)C2=O)cc1 726584808 HYPOWHFIDCIVOD-UHFFFAOYSA-N 438.532 0.910 30 20 ICED COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)cn1 726962247 QLYBMHAEXACQFY-UHFFFAOYSA-N 438.490 0.733 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 728534168 FCUIKQPHXFGSRG-UHFFFAOYSA-N 446.573 0.759 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)cs1 728745966 FKTMBANPZWNUSA-UHFFFAOYSA-N 435.535 0.846 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186562 KHXIJFHJIKJLNO-KSSFIOAISA-N 425.445 0.963 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2nc(O)[nH]c2c1 729383317 YVHOKMOFCWNVOC-LLVKDONJSA-N 443.441 0.989 30 20 ICED CCc1ocnc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 740272414 GZNSWSQNXOJNCM-UHFFFAOYSA-N 432.458 0.799 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(Cc4ccccc4)nnc3C2)c1=O 742156054 UWHGOIFVEUGMCU-UHFFFAOYSA-N 435.488 0.199 30 20 ICED C[C@@H](CC(=O)NCCNC(=O)c1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 743310947 FPWCLMGAGLULSX-ZDUSSCGKSA-N 430.486 0.756 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)ccc1F 751388011 ZUWXGACHUDHOBO-UHFFFAOYSA-N 447.492 0.746 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 753851490 BDCVPLJZKKJFNT-CYBMUJFWSA-N 437.430 0.277 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758760704 PFSQPJNOZHONBQ-DLBZAZTESA-N 436.557 0.941 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758762288 SNWBEQNEPQQGJY-IAGOWNOFSA-N 436.557 0.941 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769206401 RRYCXWWZMHJLFG-UHFFFAOYSA-N 431.426 0.345 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 770166061 CROJDNGSNUMATJ-AWEZNQCLSA-N 427.442 0.114 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 774769711 AKAJXEGLUUOAOL-HXUWFJFHSA-N 428.537 0.716 30 20 ICED Cn1cncc1[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 783972253 GMBSFGOVHQBQTD-QGZVFWFLSA-N 428.518 0.572 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 784196016 PKKKEZRQXDGUOY-UHFFFAOYSA-N 430.826 0.632 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC)C1CC1 784920773 LXEJQWDWVQXWPC-UHFFFAOYSA-N 434.518 0.194 30 20 ICED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789811478 OSLSZEGDUOZRQU-CBJFBRNBSA-N 438.506 0.094 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1)c1cc[nH]n1 789994538 QKKQCCBAUXLADN-UHFFFAOYSA-N 439.476 0.914 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1=O 798546499 YXQRWQSQWLFVJX-RDJZCZTQSA-N 447.513 0.869 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)[C@H]1CCCO1 809304757 PVUMDXQCDHJMEA-UYAOXDASSA-N 426.517 0.683 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N(C)C 812391771 OQHMYUURIMAGJE-AWEZNQCLSA-N 430.552 0.292 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 816753287 DXBZVYUIVHGPEJ-GJZGRUSLSA-N 427.479 0.213 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC 916200608 IKHHWFXAXZVDTA-UHFFFAOYSA-N 426.498 0.320 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319396381 PSIOFBQSCRHGFG-JKSUJKDBSA-N 433.490 0.303 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)CC2)c1C#N 1320660648 BJNPWJONMGUKRQ-UHFFFAOYSA-N 428.518 0.699 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1517329895 ZLAYKMSDWSJPJR-UHFFFAOYSA-N 429.510 0.484 30 20 ICED COCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1518974487 ZBAOQGHSJLIEOH-RKVPGOIHSA-N 444.558 0.137 30 20 ICED Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1554337575 PXEIDOXVIVUUJJ-UHFFFAOYSA-N 426.506 0.680 30 20 ICED N#CCCN(CC1CC1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1620359194 SEDDXAYKJHZJMM-HXUWFJFHSA-N 430.534 0.944 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1660584473 JPZHYWUYQUUFHZ-UHFFFAOYSA-N 428.467 0.663 30 20 ICED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1691367893 JSPIORMUTSKXQH-RDTXWAMCSA-N 426.543 0.512 30 20 ICED C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1692701726 YPXOGHAXHZDNEM-INIZCTEOSA-N 430.534 0.772 30 20 ICED COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698032293 ZZOSLNQQZONRRN-LJQANCHMSA-N 440.552 0.953 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1712880402 IHJLVKAAIXFMLK-QGZVFWFLSA-N 444.517 0.632 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1726405909 JBHBENJTSGEOAY-GOEBONIOSA-N 445.553 0.245 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749267381 RQESRYFQPDWDKI-AWEZNQCLSA-N 430.900 0.802 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1751093690 VSUIKRUVLKLNOH-AWEZNQCLSA-N 438.583 0.796 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1751652965 PRDYGBXCQVIBQQ-PXNSSMCTSA-N 447.517 0.444 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1768932653 VNMVTJUROSDPAA-GOSISDBHSA-N 440.504 0.855 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1769845289 LIUYRYLARNTZFK-INIZCTEOSA-N 435.554 0.945 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778473908 AEBXUDBGUPQCFB-QHCPKHFHSA-N 437.500 0.871 30 20 ICED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422216 VSGINWTYLQCUDF-CFOQCGTASA-N 441.525 0.692 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1781268481 QOKIVOUTGFPLLL-JXFKEZNVSA-N 436.534 0.352 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc(C)on2)C1 1782459729 AZDXMLXZIRDVAN-LHTVMBCQSA-N 430.505 0.898 30 20 ICED O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782518708 LIHIBLSDFDLCGQ-CJFCWMOSSA-N 444.536 0.841 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1Cl 1782667071 SDIAEOFWEMIBND-OAQYLSRUSA-N 441.875 0.912 30 20 ICED O=C(Cc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784247899 IKWIXVDLXYQPMA-SWSLYFDISA-N 431.493 0.528 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)[C@@H](O)N3CCOCC3)CCC2)cc1 1785841538 UNAGZJOMHLZJEV-FMFFHWJCSA-N 442.516 0.630 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)cc1 1786745765 VHCWLXFVBOFMMK-FKBYEOEOSA-N 440.544 0.803 30 20 ICED Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c1Cl 1786859191 VBMKHDKNMCJIPM-BPUTZDHNSA-N 436.944 0.949 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21)C(=O)O 1786894196 OCHDEXAFUXCMDR-HAGHYFMRSA-N 442.516 0.533 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082686 KZIYADLPFCFFQI-OVWQWFNUSA-N 434.493 0.790 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)cn3)[C@H]2C1 1787756556 HJGIOWXSWXOKCV-SZWKITOBSA-N 428.489 0.542 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652304 BHIGUKHENQRFLP-ZHNBBLHESA-N 438.525 0.410 30 20 ICED Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cn1 1788657824 IJQSGQHANIYMJK-YANHFOEESA-N 447.536 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1789890665 APMCAJDDEPKHQW-XIRDDKMYSA-N 445.472 0.913 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1790177592 WXIKDQQTOOCWQA-QBYUYEEZSA-N 436.509 0.503 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1790875008 AWRISEXYUSOBRA-QPSCCSFWSA-N 437.509 0.505 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)C(F)(F)F 1790880093 GDHCZKDBLFYVBP-UBHSHLNASA-N 431.371 0.890 30 20 ICED C=CC[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 1791047075 HKTYKSAKVNBTGO-XAJHFOFHSA-N 425.526 0.816 30 20 ICED C#CCCC(=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 1792175514 YQYYICVVWGZBKG-ORQYLMBXSA-N 449.548 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1792490508 CQSITSMNEUHHIU-CNWIRUGESA-N 449.891 0.813 30 20 ICED 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)C(C)(C)C 1793190014 UGGNMCUGDUTWGH-MHORFTMASA-N 435.569 0.409 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1793344412 NQHSUGXBFSQIMS-ZEENSLDLSA-N 427.457 0.349 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729296 IIQCUWUFGPBETA-WRWGMCAJSA-N 440.390 0.504 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc4c(c2)NC(=O)CS4)C3)CC1 1795411694 LYWAINZBDPWHAC-YWVIFJGQSA-N 427.486 0.633 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795423925 LYSRJBOCCDQIME-NZGUISNBSA-N 430.480 0.766 30 20 ICED COc1ccc2c(c1)CC[C@@H](CC(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)C2 1797216241 ASISZGCNDCDXLY-PAXILDSZSA-N 440.496 0.868 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1797810497 USZZPRZSOTZGMB-VPIUVWKISA-N 436.421 0.920 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1799799307 SPLOWWXZGYRVQW-HGKCTWBKSA-N 447.455 0.115 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CC2 1800100654 RQSRSONFVOZEFP-WMIGDMCZSA-N 425.485 0.813 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)c(=O)nc1O 1802692245 AXTJMMYIYJDNBG-SJLPKXTDSA-N 438.488 0.908 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804182655 HODKEUUKTRQVQA-UWJYYQICSA-N 443.504 0.622 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804182866 ILNWHQCRXDCGDZ-JLSDUUJJSA-N 433.534 0.594 30 20 ICED 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]1CNC(=O)O1)C2 1804370829 SQXUFPJIFMMUJC-QRJUGERDSA-N 434.493 0.650 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810283448 AMTWVPHROABDNN-FSKQJUNYSA-N 426.521 0.838 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175692 UZATVDDJWYOCBB-FIKGOQFSSA-N 440.500 0.586 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669433 SNGDCKDUCSRWAY-LBPRGKRZSA-N 429.502 0.630 30 20 ICED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)n[nH]1 1821780007 HTLDHEBNRQSQAJ-NWANDNLSSA-N 444.517 0.215 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1824491635 WLDKWTNIPXXIOW-PKOBYXMFSA-N 429.517 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825077864 YQLJQEDJHOPSGG-IAGOWNOFSA-N 448.520 0.714 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNC(C)=O)CCN2C(=O)OCc1ccccc1 1829310971 KEHGWWUPLDCUPL-HSZRJFAPSA-N 440.500 0.598 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1829762269 BYPJPWDKIGKZOX-RMUOZIPVSA-N 432.477 0.220 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1C 1830953685 JHBAQGQVAHIJTL-HSZRJFAPSA-N 437.500 0.913 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831512654 LWJKBKBCMNYMFK-RFZALTQYSA-N 441.525 0.379 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1831951277 KQOHEGRZZFHOAU-HPARJBSBSA-N 442.472 0.872 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832873235 NQTWMSMKJDZHCZ-VGSWGCGISA-N 448.520 0.182 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833472655 YAPUTNKPVQBZGG-UHFFFAOYSA-N 446.548 0.466 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833520391 BMZMNGSYGQOCND-INIZCTEOSA-N 434.585 0.351 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1833705195 PDLBHFQBKWAUPR-UHFFFAOYSA-N 435.550 0.992 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1834756094 QFOIPCFKAXGVFT-AUSIDOKSSA-N 440.500 0.405 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835652078 DQQVSVIHQSACBH-HXUWFJFHSA-N 449.508 0.784 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835713880 RLKYMMSSUGNJFZ-QGZVFWFLSA-N 447.584 0.464 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835913125 UHJUZCZWAXIKKE-KNQAVFIVSA-N 430.505 0.635 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)ccc1F 1836479751 PJJUXELPUJGZGK-UGKGYDQZSA-N 428.464 0.224 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147793 UHUOTOQSBNSGEC-MWTRTKDXSA-N 441.484 0.038 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837478100 YDWRLVXDQAVTIL-OXQOHEQNSA-N 435.550 0.653 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527800 WQFGLEWJRBWAOH-LVZGSSTFSA-N 425.482 0.341 30 20 ICED N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837793601 KXUHKLKBXLRENA-UHFFFAOYSA-N 449.533 0.754 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1838683672 QAWPTUCSPUOVET-QFIPXVFZSA-N 449.471 0.850 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)c1 1838738039 NGMBKHHPIUUWRJ-OAQYLSRUSA-N 439.428 0.394 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1839222465 OETGZXWIKVRZJJ-KNQAVFIVSA-N 438.569 0.976 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2Cc4ccccc4N2)CCO3)c1 1839735762 AWRLKCDRCIKJIP-REWPJTCUSA-N 435.484 0.993 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738543 YPNKSPOPIQUFTE-KPZWWZAWSA-N 426.395 0.233 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839846584 XXWMZHSLISEHFX-KNQAVFIVSA-N 442.553 0.725 30 20 ICED Cc1ccc(COCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840041979 SVZPZMOAIFKYIB-HSZRJFAPSA-N 444.484 0.364 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)OC)CCO3)c(C#N)c1 1840211307 ZRQBWUKVEGCHJS-KSFYIVLOSA-N 431.489 0.601 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909728 IAHDBFNYFHORNL-MRXNPFEDSA-N 448.568 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1845187132 BTNMJPHXSKBRFJ-HNNXBMFYSA-N 439.509 0.585 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1847073446 IESYBLIMBJGOTI-GJZGRUSLSA-N 431.497 0.354 30 20 ICED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1=O 11034076 BKDLWQRSCJWSMA-UHFFFAOYSA-N 437.378 0.913 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 16552598 JKEPPUSCHSSKNZ-UHFFFAOYSA-N 438.506 0.181 30 20 ICED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2CCOCC2)CC1 28177442 XYVAPBWXWGKYSG-HNNXBMFYSA-N 431.562 0.912 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 28642028 LMXTWPYXPDPUEV-HXUWFJFHSA-N 426.454 0.710 30 20 ICED CCOC(=O)c1cnc(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1N 31529648 MFBQIJVVWITPSK-UHFFFAOYSA-N 431.478 0.845 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cc(S(N)(=O)=O)ccc43)CC2)o1 31583303 AWSKJZDDNUCRJC-UHFFFAOYSA-N 430.490 0.213 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1C 409526892 DLFGYSAUYYPHMO-INIZCTEOSA-N 428.536 0.079 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439103733 XWRNPVHCUZYUFE-UHFFFAOYSA-N 426.442 0.698 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 441957787 PJHUDBPPWAGROB-OAHLLOKOSA-N 443.500 0.447 30 20 ICED CN1C[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)Cc2ccccc21 445182177 DVLCLRDARMEBMC-GOSISDBHSA-N 429.484 1.561 30 20 ICED C=CCN(C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 448349672 AHKMPIKHOJLAHI-JCGIZDLHSA-N 434.522 0.787 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2)CC1 461471175 AITKQEVPOLBBGR-GOSISDBHSA-N 447.561 0.505 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 464954231 WZTVLYCYCCEQAD-QGZVFWFLSA-N 436.524 0.181 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)c(=O)n2C 469974356 QCWREPPYAVUEHC-UHFFFAOYSA-N 449.471 0.655 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c(C#N)c2N)cc1 471466353 FVUVGNMAMHCRPQ-MAUKXSAKSA-N 425.493 0.899 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)c1C#N 472855216 VOCPJTHILGNPDV-UHFFFAOYSA-N 433.476 0.527 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 475339311 PVSOTDJMLDYRNC-QZTJIDSGSA-N 446.529 0.201 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 477137714 WANZIOFMJDINSQ-GOSISDBHSA-N 435.550 0.685 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480323112 WWZGBRIWCDPTFC-UHFFFAOYSA-N 442.497 0.980 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483505870 RIZMPSFLITUBAO-CQSZACIVSA-N 435.506 0.573 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)ccc1C 500265833 FLRQUBIAHANMDQ-UHFFFAOYSA-N 428.518 0.931 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc2c(c1)OCO2 505658765 IXLYJWLIJUYSOH-UHFFFAOYSA-N 449.492 0.475 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cn1 507560368 ASOPMQGTQTXPBP-UHFFFAOYSA-N 432.487 0.305 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 507673709 FRHCIOOGXYFMCI-DOTOQJQBSA-N 436.534 0.765 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 510623283 RPCWEYGIRICEJE-UHFFFAOYSA-N 441.876 0.658 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512772700 DBHRPOUKBMIIKQ-UHFFFAOYSA-N 436.469 0.609 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 514822218 OMRHCVGEPTUBMQ-MSOLQXFVSA-N 445.483 0.829 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548618473 JSALSLHQCFEMLA-CQSZACIVSA-N 432.523 0.442 30 20 ICED COc1ccc(Br)c(C(=O)NCCCNC(=O)NCC(=O)NCC#N)c1 553765329 XMQGIXOPWFDKHG-UHFFFAOYSA-N 426.271 0.517 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 556054156 IUJABHWQQOWWHL-UHFFFAOYSA-N 436.946 0.672 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3CCc4ccccc43)CC2)c1C#N 556126581 ONUABQYXPNUOMU-UHFFFAOYSA-N 435.532 0.818 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)C3)C2=O)cc1 568688552 RCFWUFWOXGWSHN-GOSISDBHSA-N 426.473 0.578 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1 579033199 AEHSQUKVLHSRCI-FQEVSTJZSA-N 446.511 0.828 30 20 ICED CCC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 581332486 MQHOPNDTTZLEMV-GOSISDBHSA-N 425.489 0.246 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 584200586 FZMBSUXEPMRYGO-UHFFFAOYSA-N 443.537 0.872 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 608867631 KNCOMGNQRLYUOO-UHFFFAOYSA-N 436.515 0.597 30 20 ICED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 609992520 ITDRYSLWOJJQLW-UHFFFAOYSA-N 437.474 0.399 30 20 ICED CCn1c(O)nnc1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 611212257 INWGFNICPIRXAX-CYBMUJFWSA-N 432.506 0.948 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ccccn4)c3)C2=O)cc1 617092852 WWTLVARLGFHPCO-SFHVURJKSA-N 429.440 0.995 30 20 ICED CCOCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C)c2)c1=O 725764595 YVNVXAOCZPMXAT-UHFFFAOYSA-N 439.545 0.549 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)Nc3cccc(C#N)c3)ncnc1-2 729883750 ATTLYIJJFJULDR-UHFFFAOYSA-N 443.265 0.538 30 20 ICED Cc1noc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 737269131 OVECYOOGTPSYCB-HZHRSRAPSA-N 434.478 0.488 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C)cc3)c2=O)cn1 743727241 GHAXBAKSHCGODN-UHFFFAOYSA-N 449.536 0.832 30 20 ICED Cc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 746720964 JSNBWCMHHYBTMT-OAHLLOKOSA-N 426.520 0.533 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 747021044 NYHFEPWJXLBBGX-OAHLLOKOSA-N 431.474 0.621 30 20 ICED CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 749690805 JQURWZWDZNHGOW-WSRQSJKRSA-N 449.533 0.563 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 750688356 RVKXLOMXKPNPTG-AWEZNQCLSA-N 438.444 0.371 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 753989855 SDLHMYPNUHVNGG-INIZCTEOSA-N 437.518 0.536 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)[C@@H](C#N)C1 754380297 QICRFMXESQRVSI-HNNXBMFYSA-N 441.496 0.707 30 20 ICED CCN1CCOC[C@@H]1C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 755637988 AUXAWZUEQNSNNE-QGZVFWFLSA-N 428.445 0.630 30 20 ICED CN(CCCNC(=O)CON=C(N)c1cccnc1Oc1ccccc1)S(C)(=O)=O 762715269 NUYXLIYGLVTTCM-UHFFFAOYSA-N 435.506 0.909 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 770313585 NXOCHCFKLISCFP-UHFFFAOYSA-N 441.481 0.287 30 20 ICED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3ccc(-c4ccccc4)cc32)c(=O)n(C)c1=O 771888402 BSDIDRARUYUQHY-UHFFFAOYSA-N 439.453 0.386 30 20 ICED C[C@H]1CC(=NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)NO1 773539673 YCVWRSSNWJPZRK-JOYOIKCWSA-N 436.412 0.856 30 20 ICED COC(=O)c1cn(CCOC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 774585344 RJCVBXMHICOMSZ-UHFFFAOYSA-N 447.473 0.580 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCO1 775798210 IUOGLLGTWXXADF-ZWKOTPCHSA-N 436.490 0.198 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 776472869 BBVJQJLFIHHSAM-REWPJTCUSA-N 438.528 0.641 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 780106269 OLBKENICPGONQI-KRWDZBQOSA-N 436.490 0.180 30 20 ICED CCCCOc1ccc(C=NOCC(=O)NS(=O)(=O)c2cnnn2C)cc1OC 781742181 WHFDVSYGDXJPAF-UHFFFAOYSA-N 425.467 0.858 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)[C@@H]1CCS(=O)(=O)C1 783481175 OGDDFUFUGNZBRQ-MRXNPFEDSA-N 432.502 0.366 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 783618092 LPWAFSDOSFCWRZ-UHFFFAOYSA-N 425.326 0.736 30 20 ICED COCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 794254013 HAIRHVFOTXUWDV-LSDHHAIUSA-N 425.507 0.834 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 806542931 CPNNBITWSJGONZ-FOCLMDBBSA-N 425.442 0.724 30 20 ICED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cc1 807588291 KPQFDJRTAGLDHW-IBGZPJMESA-N 449.515 0.479 30 20 ICED CC[C@H](CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1)OC 809943305 BRBLWDSIBRJLHQ-TWKDPSLCSA-N 442.563 0.695 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 814145441 NCTMTVSDFYVIPE-HSZRJFAPSA-N 430.468 0.995 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 819619409 ADFFGDRTEMYTIN-AWEZNQCLSA-N 447.521 0.163 30 20 ICED NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 825360768 YJUWOHLVMYUIHB-CQSZACIVSA-N 443.485 0.509 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 838816916 IHSIFYCCBMPADG-UHFFFAOYSA-N 435.509 0.303 30 20 ICED C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 914679473 CRXCOQDVMWUOFD-AWEZNQCLSA-N 431.470 0.875 30 20 ICED C[C@@]1(c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)NC(=O)NC1=O 914771241 LIIGOYBSDBGJDK-FQEVSTJZSA-N 441.469 0.809 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917035578 QQSQLIJUGNBKKQ-QGZVFWFLSA-N 441.465 0.907 30 20 ICED N#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 918402544 MMBPEFCYYXBLFD-UHFFFAOYSA-N 435.484 0.988 30 20 ICED C=CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1116350098 SJDFXFBWFPNQER-CABCVRRESA-N 430.552 0.165 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1318795554 NVUYXXNUPHXOLA-HNNXBMFYSA-N 449.533 0.100 30 20 ICED C#CCN(CC1CC1)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1324860029 QDQJHPGQWVYQHW-UHFFFAOYSA-N 443.547 0.846 30 20 ICED CC(=O)N1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1339048640 RBTZMKAYSMSBHI-SFHVURJKSA-N 426.477 0.044 30 20 ICED N#CCCN1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1476000159 OSONGYUKLDRCBT-UHFFFAOYSA-N 425.486 0.910 30 20 ICED CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519524005 SMRKGQLUHYJTTD-UHFFFAOYSA-N 438.517 0.978 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1541116084 JIXFDZAJEOHOBP-IXDOHACOSA-N 439.586 0.691 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1541911332 OBJRARPUSIHKIC-MDOVXXIYSA-N 448.549 0.936 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1=O 1554363737 OZEUHCPLIYAUMT-UHFFFAOYSA-N 433.419 0.388 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)no1 1693046326 JPLSDBVJHVLZPU-PBHICJAKSA-N 439.473 0.398 30 20 ICED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1698358280 BYVNOUNRHOWWOK-DZGCQCFKSA-N 439.611 0.960 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1706832619 QSONSSUECXKRDI-OAHLLOKOSA-N 446.533 0.545 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1723621438 NYJRKJKPJZQGLK-QGZVFWFLSA-N 446.533 0.738 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1724012508 XWYMTSZMHIHTRM-PMACEKPBSA-N 430.534 0.944 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1726449110 NJWQGULHUGBQCG-AOMKIAJQSA-N 439.520 0.462 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749252724 VIHQUFDHLGKUSC-PWSUYJOCSA-N 431.906 0.910 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1749559118 XBCSJVLOBRAXBC-LJQANCHMSA-N 440.504 0.917 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767064228 TZSPNARDBLLJKH-XLIONFOSSA-N 431.518 0.840 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779056347 FPNAEMQSXLBCCK-FFRRBZOQSA-N 429.525 0.579 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1779067101 NBNVGMIQHWRVHZ-QFIPXVFZSA-N 428.489 0.384 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780167250 KWIMJZCUVJFEJP-CHFIUFFRSA-N 438.484 0.869 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1780803268 FLMRAYHWEJHVEZ-WAWZGNHOSA-N 435.481 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1781270555 OODOSLLAWALDLJ-NRFANRHFSA-N 430.461 0.359 30 20 ICED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2)C(=O)C(=O)O 1782749575 IQWFTIMPDDEPNJ-HXUWFJFHSA-N 448.863 0.198 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782951567 BSVSSWGDQWQASR-DENIHFKCSA-N 445.541 0.898 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373110 AVFHLUWSOSFNES-APWZRJJASA-N 439.463 0.498 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785332723 SBHDGBMICKNZGG-OAOQPFQOSA-N 428.489 0.386 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1785572477 LEYUEOIMLSQOMS-AOMKIAJQSA-N 445.520 0.780 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978289 VCJSJHMAVSJSGC-OBJOEFQTSA-N 436.419 0.222 30 20 ICED O=C(Cn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1787118169 RZUXGGHKELUEHN-WDSOQIARSA-N 427.892 0.963 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1791263627 HSCCDIYVYZJZPJ-JURCDPSOSA-N 438.575 0.190 30 20 ICED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)c3cc(=O)nc4cccnn34)CCC2)cc1 1791448914 HURIGYGPQWVVRS-UHFFFAOYSA-N 431.408 0.925 30 20 ICED O=C(/C=C/c1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791698893 XYQADTMDIYKLHU-OCRNNUOJSA-N 443.504 0.999 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2 1792490143 MCYBHYRPFMAAMZ-PCUZFBEDSA-N 448.907 0.562 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1793605281 JXJGCYXEAYCQGR-YCEIQTCASA-N 448.564 0.837 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426395 DWFCHZLFXXHEDX-ZXFNITATSA-N 437.518 0.279 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741889 GFDMSAIQJUPETQ-YNNUGWCRSA-N 428.537 0.943 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800954364 DFTUCKWKYLEISB-NPEHVYAISA-N 446.548 0.803 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)CCC1 1801984226 BWSSODKSZHKCBV-SCAQPMJSSA-N 443.529 0.175 30 20 ICED C#CCCC(=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 1802025387 YSNGFBIGEQRBFU-OREBXVKISA-N 435.521 0.217 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2cccnc2CS(C)(=O)=O)[C@H]1c1cccnc1 1805022782 GREVRRYWJIOIQI-OXJNMPFZSA-N 426.498 0.974 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1807143922 QUUCWIGGIQWOMF-HKUYNNGSSA-N 442.520 0.821 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)cc1 1810352088 RWMHRRUCBBABEO-LGVFNWMJSA-N 449.511 0.923 30 20 ICED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C#Cc3ccccc3)sc2C1 1814012700 XHVCLKBZFODCIP-GJZGRUSLSA-N 425.514 0.700 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCOCC2)CC1 1823743610 FFTASQMJHSTURV-HCZHMGAMSA-N 432.565 0.797 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)CC1 1823835668 XZJQVTFLMBIWEF-JCMVTEASSA-N 430.549 0.991 30 20 ICED O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828995728 PCAIVHXSPKPFRM-KCDOPAPYSA-N 443.504 0.870 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1829764783 VDTHFEMUUSYUDA-MYVSSHFQSA-N 429.473 0.608 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829856622 NZEFNWAGBVFNQZ-NZQKXSOJSA-N 427.501 0.409 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830708176 ZFVMSJITAIUDLP-QSNWEANLSA-N 436.505 0.070 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1831387465 JDBVWUXXNVTJCZ-BOCKYXSRSA-N 430.501 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1831391601 DFCHAGUBFQRVPZ-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1831399270 UFJAYGREBMTMGO-SBUREZEXSA-N 440.500 0.682 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831495908 PEIYGEHTMYZIHI-SPYBWZPUSA-N 432.539 0.959 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831512373 OZSZUVXJRVAOLX-NOXFTYBFSA-N 436.549 0.548 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834396490 ZQTXKPGBYFGXBM-QGZVFWFLSA-N 437.541 0.357 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834527271 OKZHJGLBBNBXNO-KKSFZXQISA-N 434.493 0.128 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834706892 ZGVBZTBZXJREAV-QHCPKHFHSA-N 444.484 0.835 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835642842 SYVNLFPCOJGJAZ-HNAYVOBHSA-N 440.541 0.214 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837445198 JICIZJSGUAEDQT-UQQIOGDDSA-N 428.493 0.428 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837445406 XIQFIODHKKQKAS-ZBXNVRSJSA-N 435.569 0.256 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524339 FZJJVPGNMASGNP-WGAVVDLZSA-N 435.481 0.019 30 20 ICED CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528704 NGMQFFSBMFIGRY-YAVOEMAOSA-N 425.482 0.522 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1837531012 WEDBBUCWMMITCR-JVIUNVGKSA-N 425.482 0.151 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)c1 1838581908 VUKKGNGFZBGRKC-JOCHJYFZSA-N 437.456 0.741 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838801766 MAJDAFLSHDEJNK-JOCHJYFZSA-N 425.441 0.289 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827127 RYULOFOUHDNYSH-KQBANSRISA-N 445.432 0.705 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1839228561 HVGPHLPSPRTFRU-WIYYLYMNSA-N 435.525 0.921 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623629 QAORYKBJVSCDTP-HXUWFJFHSA-N 449.508 0.858 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839882523 KBEQXGIOBBDIAI-HSZRJFAPSA-N 442.516 0.473 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1)C(F)(F)F 1839892809 HHIUHRIJSNBIDR-WVDZOPJMSA-N 426.457 0.720 30 20 ICED COc1ccc2oc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1840042120 BROZFFOKIRCKMG-QFIPXVFZSA-N 442.424 0.599 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840857760 ZQUOSDIKCMTEHV-KNQAVFIVSA-N 446.479 0.243 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCSC3)CCO2)C1 1840862762 IPKLDYBMYCNZBH-LAUBAEHRSA-N 438.594 0.868 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841261962 ZOKSRWFZEKUFDD-UHFFFAOYSA-N 449.960 0.625 30 20 ICED O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282364 HNUXQPHOMXISEG-UHFFFAOYSA-N 446.529 0.354 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)Cc2ccccc2NC3=O)C1 1844641408 POICDYTYHPPLPL-UHFFFAOYSA-N 433.424 0.402 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1CCN(C)CC1 1845099791 QBOROFXHFBNSOY-INIZCTEOSA-N 435.532 0.887 30 20 ICED C[C@@H](CNC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845198534 RBLWMJGYXURIDC-INIZCTEOSA-N 427.457 0.840 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C#Cc1ccccc1)C2 1846256472 GKXPJFBHKDCVOC-UHFFFAOYSA-N 444.528 0.938 30 20 ICED C=CCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 15186130 SBEZHISQHSVGJC-UHFFFAOYSA-N 447.307 0.929 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432730868 QXRXBLWMRHKZDJ-LBPRGKRZSA-N 446.891 0.909 30 20 ICED N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 438622992 MFMGNYKAYKUSTQ-XEVCZEQESA-N 441.532 0.940 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 441633278 LAVMRWQKRGZBLA-KRWDZBQOSA-N 441.875 0.869 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1 442505025 GDNXUAHLHCLZNN-GDBMZVCRSA-N 425.507 0.430 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 443668513 UJPRHPYJELUKQH-UHFFFAOYSA-N 430.511 0.099 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1 444528043 XAORWHSFNJWVTK-UHFFFAOYSA-N 426.452 1.178 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 465502753 LRLSTSXTOZBUCS-LBPRGKRZSA-N 446.445 0.927 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1C 470206542 RVLYACLLLDOITH-UHFFFAOYSA-N 436.925 0.881 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C(=O)OC)c2cc(F)c(F)c(F)c2)C1=O 470775625 XQWVPRUUPSHXDI-AWEZNQCLSA-N 427.335 0.753 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cn1 483002254 ZWZJOYVKSZMLOT-RBUKOAKNSA-N 436.582 0.367 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 488603719 UASBFRLPOWGSTA-HNNXBMFYSA-N 438.506 0.404 30 20 ICED CC#CCCNC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 498575961 HTQMGPCKKHKELO-LJQANCHMSA-N 435.546 0.992 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCN1S(C)(=O)=O 499806355 HOSAJMYKMRHDLN-JTQLQIEISA-N 429.296 0.752 30 20 ICED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 503096224 RSZSSYKUZSDRQR-IBGZPJMESA-N 444.554 0.406 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)nn1CCC#N 504024294 LGHOIBZKWLQTSJ-UHFFFAOYSA-N 443.552 0.884 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCc2ccccn2)c1=O 523857027 DAZJFMZLHIWRIX-UHFFFAOYSA-N 448.552 0.843 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 525699016 VRGYIQRPVDIWDE-UHFFFAOYSA-N 437.459 0.557 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 532097852 RYODOUZYTGWCJW-MRXNPFEDSA-N 436.534 0.772 30 20 ICED CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCN(S(C)(=O)=O)CC1 537249287 VOJNEVJJXUYIMK-QGZVFWFLSA-N 439.607 0.813 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)n1 541146722 MNRIYPDSJNNXMA-CYBMUJFWSA-N 437.865 0.266 30 20 ICED CN(CCC#N)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 547877031 JHNYHVLVSUQTSK-CYBMUJFWSA-N 430.508 0.674 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)CC1 556561591 XISURRDVKAGTNN-UHFFFAOYSA-N 440.504 0.325 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 559510270 CQVJKZKCMZFQPM-CALCHBBNSA-N 428.537 0.606 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O 561817361 VLHQUDYMMXQYTF-VQTJNVASSA-N 428.533 0.639 30 20 ICED COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 569760323 ZFEIOVZZGHBXAC-HNNXBMFYSA-N 440.504 0.841 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)n1 571870596 UYNILUJFCMLLIG-UHFFFAOYSA-N 429.440 0.779 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587647600 KLBVDMKCMAVFOO-UHFFFAOYSA-N 434.504 0.486 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)C1=O 588810515 WEYMXXCDXGXBTD-MRXNPFEDSA-N 434.880 0.806 30 20 ICED CN1CCN(C(=O)CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 609077886 IEIUZQCSGVPMTR-UHFFFAOYSA-N 447.561 0.191 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610684524 VHGZYGHGEQJHDK-CKNLXJGOSA-N 426.481 0.289 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 612364725 CILDJEYHPRWGJF-AEFFLSMTSA-N 427.548 0.920 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1F 669652984 IJWXNUXKLKHLNY-UHFFFAOYSA-N 437.452 0.929 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727163082 KDVAWNWSYIFNIR-UHFFFAOYSA-N 426.889 0.486 30 20 ICED CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730723754 LHKGIAZLHOAPHL-ZCMXAENPSA-N 441.517 0.879 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)cc1 732909645 CWAROGJAJJLHAO-ROUUACIJSA-N 431.514 0.813 30 20 ICED NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746109363 NPCQGKCYWZBWNI-AZZGVMCLSA-N 445.907 0.927 30 20 ICED COc1cc(OC)cc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)c1 752627435 RUHNNDYLJADTRZ-IUXHBZJFSA-N 428.445 0.699 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 760570683 CDJKQUXFOBHBSF-UHFFFAOYSA-N 444.351 0.904 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760808701 PCGWPEBKXSXUEW-AWEZNQCLSA-N 445.505 0.297 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 762104374 KKHRLWHCVIKELX-PKOBYXMFSA-N 442.541 0.724 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 765893609 JLTOBZGLMVXBCI-UIDRDQRISA-N 449.533 0.469 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCn1cnc2c(N)ncnc21 767681994 UWMSULXZKCUFAK-LBPRGKRZSA-N 429.462 0.580 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCC#Cc1ccc(OC(F)(F)F)cc1)c(=O)n2C 771314924 NXVZHIDOKSMBJD-UHFFFAOYSA-N 436.346 0.927 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@]23CCOC3=O)CC1 778248712 BSPQNBQAEIZJJZ-FQEVSTJZSA-N 432.502 0.173 30 20 ICED Cc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 790893824 VXDGGBRMEXUCIV-FQEVSTJZSA-N 441.469 0.909 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1=O 793598173 MPJRPQUWHISFCP-QFIPXVFZSA-N 426.473 0.318 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)OCCO)c1 807548182 URGRPIHTLQIZAZ-JWGURIENSA-N 440.522 0.342 30 20 ICED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 811186280 JHQCUGYPJPBRSI-OAHLLOKOSA-N 438.506 0.589 30 20 ICED CC(C)OCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 813055274 WZUIZHRZWXIXJO-PGMHBOJBSA-N 426.495 0.911 30 20 ICED Cc1nnsc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815731484 KMMHPGQAUBPXQA-QNGOZBTKSA-N 436.519 0.914 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 916868500 QRESZYICJXNKHL-QGZVFWFLSA-N 437.518 0.881 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 920245164 NHWQKTUVMPABNU-OAHLLOKOSA-N 436.515 0.715 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2COC3(CCOCC3)O2)cn1 1116480870 URDDOUGKDFFPJV-HUUCEWRRSA-N 437.522 0.893 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2=O)cc1 1227633292 WJKKKPSJGFMYLN-IBGZPJMESA-N 445.545 0.869 30 20 ICED Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cc(C#N)ccn3)CC2)c1=S 1248547313 CXJBHZLZPIRBTM-OAHLLOKOSA-N 433.563 0.900 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCS(=O)(=O)CC3)CC2)cc1 1318489674 WILNSZIPJNBYOT-UHFFFAOYSA-N 425.532 0.606 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C(C)=O)CC1 1513914962 NELQIKATTHCXKM-UHFFFAOYSA-N 437.552 0.598 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1519165074 MTLZZWPBSHPBHZ-OAHLLOKOSA-N 440.570 0.709 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1618310441 WBOHORCJGVXFAT-UHFFFAOYSA-N 449.606 0.851 30 20 ICED N#CCCN(CC1CC1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1620359193 SEDDXAYKJHZJMM-FQEVSTJZSA-N 430.534 0.944 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1632349068 PDXWEVXZUQLWDG-KRWDZBQOSA-N 440.953 0.931 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)O 1693747586 NEWALWDBBCFGAM-UONOGXRCSA-N 425.497 0.377 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1697022548 IJPHFCBCZDDXPG-ROUUACIJSA-N 446.533 0.750 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1729214417 VBJXPRHJIGNHFS-QGZVFWFLSA-N 445.549 0.800 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1731185186 TWOUSIAUVWGFDN-FQEVSTJZSA-N 447.517 0.505 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1741676032 UVFLVTQUVDAAGM-MRXNPFEDSA-N 430.557 0.898 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779218047 AZTYPBUDCAOEMA-PGRDOPGGSA-N 429.521 0.443 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1cncn1 1779429504 VKONUEXTQAODPJ-IGQPLSRBSA-N 448.524 0.882 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779872525 AQZVFBUVVRKFHQ-HSZRJFAPSA-N 448.483 0.523 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780599615 PCYXPFTZIBITDL-VGSWGCGISA-N 444.488 0.845 30 20 ICED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC3CC3)C4)CC2)CC1 1780648016 RYOLSTUYEMHBOL-NFBKMPQASA-N 428.577 0.694 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781097405 CGYKYEIBLHMBNI-MBSDFSHPSA-N 425.533 0.638 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781108459 FSHZHMYGKXMIGQ-GCJKJVERSA-N 434.581 0.169 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781860818 YNSHHIFMBBRXNN-NFKJPKPJSA-N 429.473 0.625 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782182579 WDRFKDZFIVRTJC-BMHLXIAXSA-N 430.523 0.313 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(C1)C2 1783437319 CBCOJYONRLYLFA-HRTMPFAESA-N 447.488 0.352 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CC2 1783565503 LZGGOBPKWKLFCB-SBUREZEXSA-N 426.469 0.718 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)c1ccc(O)cc1 1784020073 ZRVMVDWKOWXSGU-GEQKSPFYSA-N 427.501 0.854 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784157159 YBSKESYCHWGKMH-HXOBKFHXSA-N 428.485 0.884 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1785426390 XYFWUEXROQTTII-IXFSTUDKSA-N 449.548 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cccc3C=O)[C@H]2C1 1786992131 DMGIVRWNJJVCLN-HQAXBYDXSA-N 442.516 0.700 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)cc1 1787935728 SJIXWXOKEPOMKA-FHWLQOOXSA-N 445.483 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1788572022 XRIXZIVJXPBKLH-HJWJTTGWSA-N 430.505 0.347 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653211 XZGSCCLGJBLMOP-WXHSEDPVSA-N 425.526 0.902 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789929641 CUJQAYSHDHWXOU-LSFZBXBFSA-N 440.338 0.752 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)C2 1793340337 RXHPSPOELRHZGQ-QTNLDPDJSA-N 426.513 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)C2 1793345309 RMOBDCPHVUYOCC-DNEZFVSUSA-N 441.484 0.648 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1793354838 UFDLQRCCLRBUGH-OHHNFCFSSA-N 433.549 0.958 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1793821386 WNRDGKIOATUQJM-CWPLJXCYSA-N 444.557 0.999 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cc3ncccn3)c2c1 1794191191 AVYYOTBRBGYZJN-YVWYUNDQSA-N 431.456 0.670 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2 1795598584 ZAJVRJGHZSVDHS-QDMKHBRRSA-N 432.550 0.901 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)C#N)C4)ccc21 1796979471 FKUSFIWKRWQMGV-JLVBRIDZSA-N 425.489 0.630 30 20 ICED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811185 KJSIMCJISMUEJY-CGUQRFMESA-N 449.508 0.262 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797890092 RHRASRFQHQJAIM-CTSHNCOSSA-N 433.530 0.961 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c1Cl 1798588577 YNSGSGDFNUOJSJ-BKEDOTJMSA-N 430.892 0.941 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)c1Cl 1798588578 YNSGSGDFNUOJSJ-ZTENYAIWSA-N 430.892 0.941 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@](C)(O)CC(=O)O)C3)c1 1799803664 YINYLGHRKXHJBK-AXRVMRSRSA-N 429.473 0.686 30 20 ICED C#CC(=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 1800454915 QUSVDQLECVNCSU-CQQDWVGSSA-N 433.505 0.091 30 20 ICED C=CCC(=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 1801000486 UXLNBVBKIIEDGY-BIWGCHKCSA-N 437.537 0.913 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc1 1801565851 OSGIXGZNIZHUOB-BJWYYQGGSA-N 432.498 0.749 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)c1 1802105245 IDICQJQVMLYXMJ-JLVBRIDZSA-N 444.538 0.622 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCC(=O)N2CCCC2)[C@H]1c1cccnc1 1804152775 IZMSBTAGRJMSGA-VGOFRKELSA-N 426.473 0.578 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COCCOC)[C@@H]1c1cccnc1 1806750536 IUWYHUGOZHQGPS-OTVNPASYSA-N 430.505 0.609 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811585790 RHHPBHBHCZMNPT-GLPQSPQZSA-N 439.472 0.740 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)CCC1 1814049762 HPKQFGYNSLNEEB-WBVHZDCISA-N 435.421 0.506 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814920010 NPMCAGBOZRPVRK-GDVLARHCSA-N 449.537 0.424 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1817315209 HPIVZEDIZHOSJI-OAHLLOKOSA-N 429.529 0.524 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817358269 NXJLJVCPSWIXBC-JXIIZDDMSA-N 429.481 0.707 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1829630192 YCQXUXZZNGWFRH-WMZHIEFXSA-N 440.500 0.226 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902409 QCXIQJPGERDIQK-QHCPKHFHSA-N 442.516 0.329 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831425356 CPSKZJGIULZCFE-VGSWGCGISA-N 432.521 0.881 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486439 XQKGZGKAESOSAU-DNVCBOLYSA-N 426.539 0.453 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831834710 ZWZHNCODLVINJK-DXLWNWQMSA-N 446.504 0.989 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C)CC2)CC1 1833075188 VCYUAOJQEIYQAJ-PLNGDYQASA-N 440.548 0.829 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1833434423 FMMRPXFXCLGALH-OAQYLSRUSA-N 440.460 0.459 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n(C)n1 1833439242 OHIIPUYNLWBTON-LPHOPBHVSA-N 426.539 0.453 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833505538 FZTFUUKZOXQSAB-QVKFZJNVSA-N 434.493 0.128 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1834117395 CIODNHQULLVTNF-XWRADEMYSA-N 432.525 0.270 30 20 ICED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834328812 PBJZTCOSEXLXMF-QFIPXVFZSA-N 441.463 0.744 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715456 GJNXBENFLXATMX-SFHVURJKSA-N 431.581 0.878 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1835096059 NLIFBTWCZYLXDG-XMMPIXPASA-N 435.480 0.969 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835667804 QVIRJPZNAWRFMC-LJQANCHMSA-N 428.480 0.770 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780445 QSGAZVWOMMHDQR-UDIPQKBFSA-N 443.548 0.891 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835873900 IRLUPBFACJAGGE-HXUWFJFHSA-N 444.517 0.893 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncsc1Br)CCO2 1836529181 TXJZDSMBBBFXMF-OAHLLOKOSA-N 429.296 0.889 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836994781 BLEWAQBFAUTWIK-VGOFRKELSA-N 428.489 0.995 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530437 MRYJEEVOOXUHOK-NSDLYDKDSA-N 440.541 0.312 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838172497 XNHQJMQYRFEWJN-VGSWGCGISA-N 431.489 0.507 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838393043 DTVYNQTWDHUSKO-LFVJCYFKSA-N 431.541 0.748 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838736195 PPXOVPANILPSDK-QGZVFWFLSA-N 426.376 0.066 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839223973 CYSHOTHKAQZPJW-UGSOOPFHSA-N 438.441 0.189 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4nnc(C)o4)C3)C2)c1 1839452371 ZEZKLSFDBSHCSR-JOCHJYFZSA-N 439.472 0.871 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)CCC2 1839584436 PYZKNFSNTUVBRA-JOCHJYFZSA-N 427.505 0.673 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839684201 BDMLFXALOXNIQP-VBKZILBWSA-N 434.449 0.518 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C2)C1 1839806332 KVXOWYJFHFGTAP-JOCHJYFZSA-N 432.473 0.345 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035819 GYQIDRXEUCGQOM-LQGLAIQGSA-N 449.507 0.766 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3-c3ccccc3)C2)C1 1840042719 KLYASQQIPCPCSZ-DEOSSOPVSA-N 449.463 0.907 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840096657 DMDZJFVMMQDJHN-MBSDFSHPSA-N 428.485 0.672 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840158973 UJHJICBCISAUKQ-FOIQADDNSA-N 431.518 0.656 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1)C(F)(F)F 1840181658 HUJNZOYHOKCJDR-SJORKVTESA-N 438.399 0.177 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840202039 WAPFQQJGPCSEHD-MRXNPFEDSA-N 439.456 0.041 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840295514 SSXXYFHBBWXZRQ-SFHVURJKSA-N 433.427 0.315 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840492141 FMXAOSRTCIZRLX-SEVHUYGTSA-N 446.552 0.681 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840830568 TZAPJCFMJFUYIC-HSZRJFAPSA-N 425.485 0.926 30 20 ICED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153632 UIDQPFDLIPMVCC-UHFFFAOYSA-N 434.500 0.796 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245310 SESXSDKXTMGZDV-IBGZPJMESA-N 442.553 0.867 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)[C@H]1SC(=N)NC1=O 1846980122 WLQWYCIIOCNSHE-SUMWQHHRSA-N 441.513 0.943 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847346575 PGMWPDNCZNNVNN-ROUUACIJSA-N 425.526 0.824 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(=O)(=O)N(C)C)CC1 28974857 DXCNJYAHQYPHDF-UHFFFAOYSA-N 440.570 0.376 30 20 ICED C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 428860683 HRZFUHWGQOPHLG-UHFFFAOYSA-N 436.534 0.938 30 20 ICED N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 431053633 PFXUBNYCDBAHEI-UHFFFAOYSA-N 433.490 0.727 30 20 ICED COc1ccc(Br)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c1 439063866 CGSZVOOEAXWQMD-UHFFFAOYSA-N 434.315 1.000 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 443091222 ZIVYGGGDWFSBQK-ZDUSSCGKSA-N 438.462 0.889 30 20 ICED Cc1nsc(N2CCCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460706830 MRDMCCMXMHPSLD-UHFFFAOYSA-N 437.489 0.976 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 460943982 CANOMJNSYZDSCT-DLBZAZTESA-N 425.603 0.681 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 465418129 SFGPYBFAMYXBNC-LBPRGKRZSA-N 433.428 0.250 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 466812545 AQLYVJSQFDDVQL-UHFFFAOYSA-N 426.477 0.997 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CNC(=O)c1ccc(C#N)cc1 473533878 SRYNGDVDXRBTHW-UHFFFAOYSA-N 430.486 0.217 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccon1 480929018 PTNZYLNXPAHCJW-UHFFFAOYSA-N 438.509 0.829 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481153044 GFJXEWZTLKYQHJ-HLLBOEOZSA-N 436.534 0.615 30 20 ICED C=CCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 483513404 ZWLMMXVWVIPDFI-HNNXBMFYSA-N 431.536 0.818 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 500472516 UHWHVZAYUSMKNM-UHFFFAOYSA-N 443.485 0.691 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C(=O)OC)C1 509381197 SKDBUIVGZCJRCO-XNRPHZJLSA-N 437.474 0.178 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 510253461 JOJVJTCGQYJZKE-UHFFFAOYSA-N 434.474 0.777 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)C1=O 524182721 HKDHWWZZIJUJHN-UHFFFAOYSA-N 440.865 0.795 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n([C@@H]2CCOc3ccccc32)c1=O 532799718 OYLQPUFEMYQFQX-QGZVFWFLSA-N 435.509 0.747 30 20 ICED CC(C)(C(N)=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538349316 VSOGVWZUDBCJTF-LJQANCHMSA-N 430.528 0.416 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550864249 HNZMHAPGOCKIHX-UHFFFAOYSA-N 434.294 0.706 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 557444812 LASDHILJZXHDFT-UHFFFAOYSA-N 435.488 0.150 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCN(C)CC1 568303669 CZILFJFMSNSCPT-MJGOQNOKSA-N 444.555 0.782 30 20 ICED COCCO[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568688176 NIFIYKBKPVEOPV-OALUTQOASA-N 428.489 0.824 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 581688973 WZVZNTHNIKPDFB-VSZAQFPHSA-N 444.557 0.971 30 20 ICED C[C@@H]1CC[C@H](N(CCO)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 589261302 MTKDOCHHDSKVQK-MJGOQNOKSA-N 434.562 0.874 30 20 ICED CN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 603612566 BDWQEKUWMJAHCL-UHFFFAOYSA-N 442.563 0.357 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)(C)CN(C)C 608912726 XFBZWSBVWQOQOA-UHFFFAOYSA-N 425.558 0.698 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccn3)c2=O)c1 726579619 KZPLLLCMOSQZFA-INIZCTEOSA-N 444.516 0.929 30 20 ICED C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 743493403 QYEFPDYTRSKSPM-UHFFFAOYSA-N 446.573 0.757 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)cc1 747759351 GHFXBZRCXGNPKQ-UHFFFAOYSA-N 448.545 0.980 30 20 ICED COc1cc(C[C@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 754894510 CSWZHKYCRZQGFU-HNNXBMFYSA-N 447.513 0.710 30 20 ICED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758062729 XHYWPXVEXWGUIH-UHFFFAOYSA-N 446.488 0.824 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)CC1 763710532 RTVUGCKOGYKCDG-AWEZNQCLSA-N 426.433 0.591 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(CC(C)C)c2=O)cn1 772278246 QFOUITJSNPYEKA-UHFFFAOYSA-N 429.546 0.909 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CCN(C)CC3)c2=O)cn1 772305066 WYCCKHVFSZXFFN-UHFFFAOYSA-N 440.573 0.749 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 772572847 GZRQRPDKYJUSSF-KSSFIOAISA-N 431.518 0.931 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCS(N)(=O)=O)c1 775986412 FZFBZRDWCUCOEW-HMMYKYKNSA-N 431.540 0.690 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2SCC#N)CC1 803937770 UEKDLLUAZHIFHR-UHFFFAOYSA-N 426.520 0.960 30 20 ICED Cc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 807398979 GQAJUVRQRWSQDY-KHILGYJSSA-N 433.494 0.742 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3cccs3)c2=O)cn1 839326465 HBYYGJKYTNREAD-UHFFFAOYSA-N 441.538 0.115 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 914637481 NYDNAHHNYWVCPS-UHFFFAOYSA-N 439.490 0.439 30 20 ICED COc1ccc2c(c1)C(=NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)C(=O)N2 916333457 USZDSPIOZNPUJI-UHFFFAOYSA-N 430.490 0.795 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 916874587 CVICTEFPEFYMMZ-RLFYNMQTSA-N 437.518 0.960 30 20 ICED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918430237 LOYZAJCFGRPEED-JEEMYIIMSA-N 436.490 0.459 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1303771880 SHVSRQALNDYJOL-ZDUSSCGKSA-N 425.536 0.731 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1503415922 QATAWCQEWIZDOW-DOTOQJQBSA-N 449.558 0.875 30 20 ICED CC(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1509281072 SVLQHEUIGYXCJZ-HOTGVXAUSA-N 426.543 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1510188965 QMZFJQWCZVXXDP-AWEZNQCLSA-N 426.543 0.560 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NCc1ccccc1 1541679321 XDJGBNRQZIROGY-QGZVFWFLSA-N 425.493 0.852 30 20 ICED CCOC(=O)C1=C(CN(CCC#N)CCN2CCOCC2)NC(=O)N[C@@H]1c1ccco1 1657466893 QBWNGEWBNMETHW-LJQANCHMSA-N 431.493 0.999 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1696964234 XKCJVUJGAGLKSJ-APWZRJJASA-N 439.520 0.489 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708278628 IRQAZIMRUABNAG-MGPUTAFESA-N 431.518 0.837 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1711417496 MRZDWLGQJDAMJE-OAHLLOKOSA-N 445.549 0.953 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1724551474 QCFYIXWBNXKGIT-SFHVURJKSA-N 426.477 0.753 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1728208520 SFFKXLDVALQISR-INIZCTEOSA-N 439.476 0.896 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760306965 LYTAZHJVRNLXIK-NEPJUHHUSA-N 447.359 0.656 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766947030 TZQUSCULESAIEI-SFHVURJKSA-N 444.565 0.332 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1779104815 FJGQEGAOVZREBK-PBPYGMEZSA-N 444.488 0.758 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1779106305 SBNSVFZONZQMKW-HVHIPWAVSA-N 447.492 0.848 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccnnc4O)C3)C2)c(C#N)c1 1779919492 IHZPRDFQVDSVST-QFIPXVFZSA-N 437.456 0.749 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780952964 PQRJQQDREGVTCY-IIBYNOLFSA-N 428.493 0.903 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966528 JBGGVSDNLQHKSC-NHCUHLMSSA-N 433.436 0.757 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)SCC(=O)N3)CCO2 1783562826 RLDJWCQDJJOWSV-FQEVSTJZSA-N 429.454 0.262 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21)C(=O)O 1786897540 LTQIUUHEKZORMS-VJANTYMQSA-N 428.489 0.409 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787043803 YNANAANOEABSQJ-FHWLQOOXSA-N 430.505 0.898 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C[C@@H]21 1789890321 MGISBVWQBZYREV-BQFCYCMXSA-N 446.504 0.978 30 20 ICED O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791604037 ZCFXMMYDMGAKPQ-VTFOJQGUSA-N 447.492 0.364 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)n1cncn1 1791610619 HTVGQQXTTBRGDL-VJANTYMQSA-N 429.521 0.517 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792889694 VOAYZPDLBCGPSH-SFNKJDCFSA-N 437.537 0.655 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1793340068 JFWXUAUJWMDCKZ-LJGDNWOOSA-N 431.518 0.270 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1793362255 WPKKKKDZIFFFIM-ZRSLWSEBSA-N 429.517 0.986 30 20 ICED C#CCO[C@@H](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 1793570583 QLBBPBDGDVMXGP-JCECYMMASA-N 437.537 0.939 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c(F)c1 1794450986 NVEHZYKXIUZWJP-XOIINTDNSA-N 433.484 0.714 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)c1 1797615770 GTPJFJNHBQFRNS-VQICEPBWSA-N 426.448 0.735 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1797646315 MCVMXEGRICMUNV-DFBDCSAJSA-N 427.567 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1799303692 NPKJUFWJERLLBD-HGKCTWBKSA-N 434.493 0.242 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1800992722 WPJUBEMHGILAEX-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1801991915 ISDUJUPUKKPJIA-FAQVEIGNSA-N 446.467 0.883 30 20 ICED Cc1cc2nnc(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@@H]3c3cccnc3)c(C)n2n1 1809192995 ZIKLZOGAKIOHTJ-IIBYNOLFSA-N 447.455 0.544 30 20 ICED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1823884498 UEKGONQDDDYWSI-GOSISDBHSA-N 438.594 0.886 30 20 ICED COc1ccc([C@H](O)C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825660379 ICFSKMMDIGSDGM-XIKOKIGWSA-N 429.454 0.885 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)cc1 1829635455 IDDGRVKXGAHAME-OFNKIYASSA-N 427.501 0.984 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635771 ODUNJTOBNCAPJV-SBUREZEXSA-N 442.516 0.472 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1831216445 QRLMXHQKNGPMAG-DHIUTWEWSA-N 439.468 0.591 30 20 ICED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1831306287 ALWWEISJOVYSNL-YDHSSHFGSA-N 442.468 0.343 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(C)c3)C2)C1 1831387182 LVIPNORQHYICNN-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C)C2)C1 1831391139 ICCUQDGRNLCJBS-WMZHIEFXSA-N 430.501 0.869 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1832064933 KAXJYDMBRIQOBK-NZQKXSOJSA-N 444.507 0.790 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1832161409 VSRBUFXRHXKZTH-DPPSAQFDSA-N 447.410 0.468 30 20 ICED Cc1cncc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1833817934 FYDPUNGWANYJAO-UHFFFAOYSA-N 426.517 0.982 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834311504 MHAMNJXBJIPXDH-JOCHJYFZSA-N 437.456 0.497 30 20 ICED CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835127721 DOXBMCKOSHPREN-UHFFFAOYSA-N 448.612 0.612 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1F 1835488687 KSTATLWBFKOZSB-HXUWFJFHSA-N 439.415 0.966 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1836856154 SKUJUSBMLCBLTM-DLBZAZTESA-N 442.578 0.704 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837308903 DAMQAFJXXPBUAG-KKSFZXQISA-N 432.525 0.544 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837393322 OYDDIBBZTLAJIN-DBGYWNFCSA-N 438.565 0.815 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489777 UUYMMPLLQRWFJL-NOXFTYBFSA-N 435.565 0.515 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c1 1838584807 HMTLKSPGMSYZTN-NYHFZMIOSA-N 444.488 0.161 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC45CCCN4CCC5)C3)C2)c1 1838739558 YXFFYIKMHQHXOM-QHCPKHFHSA-N 441.532 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1839174153 JBRUNQOIQOHPEL-OAQYLSRUSA-N 434.493 0.482 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)ccc1F 1839189490 OLIPDTMZHZGYPG-JOCHJYFZSA-N 429.448 0.675 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1839288929 OLVSCOWDKUIONT-IBGZPJMESA-N 426.347 0.262 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1839419896 AMBKGHYAVYNVLG-OAQYLSRUSA-N 441.419 0.577 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485986 GSCYPXMELNAIOP-DENIHFKCSA-N 441.488 0.521 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)C1 1840039841 IPDGWEKIGQOQJJ-JFIBYHEFSA-N 446.422 0.900 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1840042180 FYMQMSLDOUJPFC-SFHVURJKSA-N 441.362 0.258 30 20 ICED COc1cccc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044381 GQHRCFMRGOFBQE-IOUFHMPJSA-N 428.441 0.253 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840162419 WTNPSFUSAZIIAT-IERDGZPVSA-N 438.546 0.836 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1840169166 MVDZCCDMFMJZQM-QFIPXVFZSA-N 431.489 0.972 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cc3OC)CCO2)C1 1840933385 MBFNAGZHXUTHCK-HXOBKFHXSA-N 448.491 0.872 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979602 CSXRAPOGPGRQCJ-LJQANCHMSA-N 443.456 0.635 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)CC2)cc1 30014473 LBTNQQQUGZGFPH-UHFFFAOYSA-N 440.481 0.912 30 20 ICED CCN(CCC#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 409534591 HOCJEGGERPACOU-UHFFFAOYSA-N 430.552 0.419 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 429969729 WRVRQPOTRVAWLT-UHFFFAOYSA-N 446.489 0.633 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 434088851 YRQSLADVUJPXRC-MRXNPFEDSA-N 428.536 0.107 30 20 ICED C=CCOC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OC 435136979 ANFURZNQNFQEDK-AWEZNQCLSA-N 432.520 0.172 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437664260 UMYHCQPGGUWUSF-HKUYNNGSSA-N 437.566 0.814 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)n1 441670899 VCIZUPFTCGDKIH-HNNXBMFYSA-N 434.378 1.454 30 20 ICED CN(C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1)C1CCCCC1 444586992 TUTWUORIKJRVTG-UHFFFAOYSA-N 429.525 0.671 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462017218 QALHRWWPIYPRNQ-JHNDHUHGSA-N 438.444 1.404 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1S(C)(=O)=O 465414103 FYOGYTBRQVTGKM-ZDUSSCGKSA-N 428.474 0.428 30 20 ICED N#C[C@H]1N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[C@@]12CCCCO2 468120539 KWDVQLHPNPSTQO-NQIIRXRSSA-N 446.529 0.875 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480110887 QZHJLUBKUBJCOC-HZPDHXFCSA-N 435.550 0.284 30 20 ICED Cc1cc(N(CCC#N)C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)ccc1Cl 482051086 UIPJKXKCACQXDX-HNNXBMFYSA-N 432.868 0.922 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cn1 483002252 ZWZJOYVKSZMLOT-OALUTQOASA-N 436.582 0.367 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1C 484177666 MJKRDNXSEGIHQR-YEJXKQKISA-N 436.428 0.175 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)CC2)o1 490972221 YJRYQTCKFCWKME-XLIONFOSSA-N 429.569 0.461 30 20 ICED N#CC1(CCCOn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)CCOCC1 499927049 ICRCAYFREYNOEK-UHFFFAOYSA-N 435.506 0.981 30 20 ICED CCn1c(=O)n(CC)c2[nH]c(=NC(=O)CCC(=O)N=c3cc(C)n(CCC#N)[nH]3)ccc21 504132268 WHLNUISWBCIBRF-UHFFFAOYSA-N 438.492 0.858 30 20 ICED C=CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 512084372 PFLCHKZSRNPLTF-CQSZACIVSA-N 429.516 0.823 30 20 ICED CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 512269858 NHWNKRPMEKPQFF-UHFFFAOYSA-N 433.578 0.713 30 20 ICED COC(=O)c1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 513293020 AXYOABGHXITVIU-GFCCVEGCSA-N 426.408 0.950 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 514059282 LZMUCFVVRUYRHG-CYBMUJFWSA-N 428.536 0.013 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 514537594 OEZDTYZSCJNNHI-HNNXBMFYSA-N 437.525 0.346 30 20 ICED N#CCCN(CCC#N)C(=O)CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 515905715 MIQLEMHDFWFGKW-UHFFFAOYSA-N 438.531 0.901 30 20 ICED CCOc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 517179110 ITMYWXMWJGSMBF-UHFFFAOYSA-N 443.485 0.824 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 517506538 KHPMYDVKLHWKMI-RTBURBONSA-N 448.545 0.327 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521800546 PAJYVBUHLNCDDB-UHFFFAOYSA-N 442.563 0.683 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(CC#N)CC2)CC1 525329688 JGNVKHLYYJFUHS-UHFFFAOYSA-N 434.518 0.542 30 20 ICED CCOCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 532951271 JXHQQBSNTJLWDA-UHFFFAOYSA-N 449.577 0.045 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 540637118 PAVNZVHEIQANQH-AWEZNQCLSA-N 430.552 0.991 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 543258387 PAUJRJSKCDWYPU-UHFFFAOYSA-N 426.477 0.600 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 547268417 MLAXPUODIMOVML-ZFWWWQNUSA-N 446.489 0.467 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCNC(=O)C1 549273765 IAZOSNAHPJGHOL-UHFFFAOYSA-N 446.533 0.478 30 20 ICED CCN1CCN(C(=O)CC2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)CC1 553175639 WRIWTYGAXYKPSQ-JOCHJYFZSA-N 446.640 0.945 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)CC2)nc1 566073528 GTPWKUFJUSYWNG-WOJBJXKFSA-N 440.548 0.486 30 20 ICED COCCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 581906302 RGVCZHUTOLFPKY-HXUWFJFHSA-N 442.516 0.819 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 583552600 BYRVBFMHGPBNSO-AWEZNQCLSA-N 448.615 0.715 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 583660400 VMCCPXGXZCSXJE-MRXNPFEDSA-N 434.518 0.468 30 20 ICED CN(C)CCOc1cnccc1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 583777168 LTWMGGCZWIUWBY-UHFFFAOYSA-N 434.460 0.729 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(=O)N(C)C)c2=O)nc1 610769054 PPVJPUYQYCJYKO-UHFFFAOYSA-N 447.520 0.843 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1=O 623211021 FGJPIRJHJSIDLR-UHFFFAOYSA-N 427.505 0.682 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732421797 YKWRXFCHSDFYBN-HEHNFIMWSA-N 437.522 0.822 30 20 ICED C[C@H](CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742616450 REOZWYBRGJYBRH-WBVHZDCISA-N 449.577 0.563 30 20 ICED C[C@H](CC(=O)Nc1ccn(CCN2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 742652889 DEKKTUPCQYGNEO-OAHLLOKOSA-N 446.533 0.671 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742798243 LEACDLXMCJVNHY-HNNXBMFYSA-N 444.517 0.469 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)Cc1ccon1 747183443 ZMGABJWBGCLPBL-UHFFFAOYSA-N 440.503 0.920 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 747346835 YPIBENXPBIHMFE-UHFFFAOYSA-N 432.462 0.141 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 747993257 CDUGWIJQLWRMBX-UHFFFAOYSA-N 425.533 0.755 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 748810661 YFLYQBVTNZZSTM-UHFFFAOYSA-N 442.944 0.563 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2nc(O)c3cnn(C)c3n2)c1 749505395 RKYBDPDUKJECOI-UHFFFAOYSA-N 448.483 0.875 30 20 ICED CN1C(=O)COc2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 755547427 OJKPRCVKDQFWOC-TZMCWYRMSA-N 443.460 0.856 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 756880659 BYXLGZBJYDVORQ-WFASDCNBSA-N 441.510 0.428 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(OCC#N)c3)cn2)C[C@@H](C)O1 762538071 SEPONYCPIGGDSV-GASCZTMLSA-N 440.460 0.998 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CC1 767764152 VLYVZMYJBIAOGK-MRXNPFEDSA-N 439.509 0.297 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCCSC)c2=O)cn1 772301037 VLLUFBUHESQFTO-AWEZNQCLSA-N 447.586 0.614 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 783047860 SUEJZYQWDGTJPH-UHFFFAOYSA-N 435.499 0.569 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1)c1cc[nH]n1 789956207 DHJAXACOJNBKTP-UHFFFAOYSA-N 427.461 0.987 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnnn1C1CC1 790710873 JZNVVCCPRQHUAG-CYBMUJFWSA-N 430.494 0.657 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 792135922 GUSFEXKXTSHMMU-UHFFFAOYSA-N 446.451 0.584 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)NCCF 800642963 OYDZAIULTYWEJS-RDGOFQKVSA-N 441.485 0.028 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C(=O)C1 801286170 PLWRMZSUBBDEFF-UHFFFAOYSA-N 428.493 0.681 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)nc1 807952355 GTAFWTJOXXCQER-UHFFFAOYSA-N 437.526 0.022 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1288169783 JFNOMJNUWMKSFV-KRWDZBQOSA-N 446.533 0.738 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CCO1 1299138612 XUUAXMJMOFETKA-UWJYYQICSA-N 428.493 0.555 30 20 ICED CN(C)C(=O)CN/C(S)=C(/C(O)=C1C=CC(=NC(N)=O)C=C1)n1ccc(=[N+](C)C)cc1 1318699693 DAVXJECGXPCIGR-UHFFFAOYSA-O 443.553 0.711 30 20 ICED COC(=O)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1318742902 NVOCLNCXLGIFLS-QGZVFWFLSA-N 428.445 0.944 30 20 ICED Cc1ccc(NC(=O)[C@H](C)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1473583786 JRBKPZZFMULDQI-OXJNMPFZSA-N 436.534 0.693 30 20 ICED CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1500194676 QAYQFAFBWASKNT-HOTGVXAUSA-N 438.554 0.920 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1554149319 IHLUKTLOEPBHHH-UHFFFAOYSA-N 437.504 0.881 30 20 ICED CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1694286438 SZLVCHAFYBUAAU-XIRDDKMYSA-N 441.602 0.983 30 20 ICED Cn1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)n1 1696864775 QTCPUTIFKQUIOO-UHFFFAOYSA-N 427.490 0.745 30 20 ICED COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712329581 QDRLHSGVZJINFU-UWJYYQICSA-N 431.541 0.365 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccccn2)C1 1731012723 MSWGFPYGXSOOKN-SFHVURJKSA-N 445.549 0.989 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1768635074 ZGAVSUJJBBKCAV-GOSISDBHSA-N 437.504 0.986 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1779100927 HJZNYGSDNFASFN-RTAJLIBNSA-N 433.465 0.585 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1781967771 XFTORPBSPXZDFA-OXQOHEQNSA-N 434.880 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1782648658 FZVXIMQKRILFSS-BGZFOAOZSA-N 426.517 0.949 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)c1cccs1 1782661306 WJFDLCSDOKIGSM-SHTLVRLNSA-N 442.497 0.574 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783197888 IYWJSVXWMWQLPK-MRXNPFEDSA-N 433.502 0.888 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)[C@@H]2C1 1783566201 RELUKGPQPDNVQN-OLMRKFRDSA-N 447.488 0.017 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1784480401 JMIFGBGQXJNSAV-WPVDLGPGSA-N 428.489 0.537 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c(Cl)c1 1788557036 COGLAZSMKYSADZ-JDFRZJQESA-N 429.864 0.681 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1789890696 FMUAWMXPIGNZMP-IEZWGBDMSA-N 441.488 0.832 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]3C2)n1 1789955056 DLZYWYRDIHZHAS-DWRORGKVSA-N 435.525 0.924 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1NC(C)=O 1791078872 CPBSNDDQTBITBH-BXWFABGCSA-N 443.456 0.335 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5c4CS(=O)(=O)C5)C[C@@H]32)CCC1 1792139159 QRJBRYFOPYJCCS-XEZPLFJOSA-N 447.517 0.125 30 20 ICED 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 1793078360 GVQFPMJDOJGBEP-FLXSYLCISA-N 437.537 0.510 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O)c1ccc(O)cc1 1793433425 KQMDILNYRZYXHA-RLQGJCASSA-N 441.528 0.990 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c(=O)[nH]c1C 1794309551 IMJAVJFQCNLDDS-VLKJZKPKSA-N 447.492 0.119 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(C)(C)C)n1 1794416507 HWVVQYBRVKMDFR-BFUOYJEKSA-N 429.521 0.700 30 20 ICED N=C1NCCN1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1795577512 HMBJUFFVKTWGRG-CWPLJXCYSA-N 429.908 0.121 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599045 MZMXITXDIVDPQW-VXIBKDFQSA-N 428.537 0.753 30 20 ICED O=C(CC(F)(F)C(=O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796351834 QSXXHLKYTAAXFQ-XOIINTDNSA-N 428.432 0.385 30 20 ICED COc1ccc(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)CCC2)cc1 1799263677 BHSODSAKOQVPQA-VPTLXERWSA-N 426.469 0.795 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)c1 1799745661 YHKIKQMNMADBKE-YVWYUNDQSA-N 440.431 0.924 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c1 1799746532 VHNRUWUPPZBSJO-UPHUGPLXSA-N 430.480 0.623 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CC)COC1 1800387475 RRULOCZTRHSXHH-MHORFTMASA-N 449.548 0.919 30 20 ICED CN(C)[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1Cl 1800779168 WWFJHZMCHUOKFY-RYMBOPBQSA-N 433.892 0.620 30 20 ICED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)C1 1802405046 CVYLBNYSWQLLBB-RDTXWAMCSA-N 434.460 0.493 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807192677 BKBMNEFLGILUOC-MBOZVWFJSA-N 445.520 0.190 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1810253257 FSUFJVJLAZODSE-LEUOFYLZSA-N 427.509 0.908 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1814103848 YGODDENDGNNYET-QRWLVFNGSA-N 441.513 0.966 30 20 ICED CN[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)C(=O)O 1817369018 SHQUWAQWEYSGKU-OKPGWNJLSA-N 433.513 0.936 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819361222 RYOTXPQBLAZNBH-ZIAGYGMSSA-N 432.481 0.527 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820021798 KSOGJOCYDADTEW-JSGCOSHPSA-N 425.449 0.643 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822697350 XMSAQVMTJMGSFX-JYJNAYRXSA-N 433.578 0.729 30 20 ICED C#CC(=O)N[C@H]1CCc2nc(NC(=O)COCCOCCOCCOC)sc2C1 1825791968 HTGSJLNBMIJZJZ-AWEZNQCLSA-N 425.507 0.385 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCN2C(=O)OCc1ccccc1 1828877852 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C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834739108 FVGHXFWGCLFMNI-MSOLQXFVSA-N 438.569 0.194 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1835100564 ZVWWPSOTAXPIIH-NCAYHCJHSA-N 437.540 0.835 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359869 MIAXTYGGIPTCEL-KRWDZBQOSA-N 429.399 0.813 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677322 NJLIDSTVTBQARB-JOCHJYFZSA-N 429.521 0.742 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)n1cncn1 1835732563 KIFLGJKSMVLRCO-WORIPGKHSA-N 444.584 0.882 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C)CC2)CC1 1836011121 FEBWFDDVAYMQEI-PLNGDYQASA-N 440.548 0.829 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836013777 AKWWDVLDPKWMME-HCQBAUJFSA-N 448.520 0.933 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nn[nH]c3C(F)(F)F)CC2)CC1 1836177201 ZSRHLRSIVIGUKJ-UHFFFAOYSA-N 442.398 0.097 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1836599572 PIMNWCRKGSVASV-SPEDKVCISA-N 446.887 0.988 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1836855930 MAHMRQNSNVSQNF-INIZCTEOSA-N 432.521 0.632 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nncn5c4)CCO3)C2)c1 1837019431 VWGRVLPLBQYMEZ-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462859 SUODEMHCLHJNLT-NRFANRHFSA-N 438.594 0.695 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccnc1 1837487150 XQPBRUNHWNMBCS-WMZHIEFXSA-N 444.532 0.599 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838257812 SLNOWQBIIFDTLX-UYYUJSNXSA-N 447.879 0.912 30 20 ICED CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1838783683 JHEMQODDMRGDLN-QFIPXVFZSA-N 446.552 0.816 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1838951009 SLPHONYSFXQIDV-QFIPXVFZSA-N 438.440 0.748 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839224263 QEXBPSXIILGLJW-YWZLYKJASA-N 435.481 0.356 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227285 BGSKHRLLDAGPDF-GUXCAODWSA-N 443.497 0.805 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)cc1 1839362296 JXNOSWGDBYIEBA-JOCHJYFZSA-N 437.456 0.632 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839553987 KMWADCZCRQGPOP-QFIPXVFZSA-N 426.448 0.957 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839886480 CXSGMGMSDYVVGM-IBGZPJMESA-N 431.480 0.817 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccc4)on3)C2)C1 1840040542 QCPGKUCUKPXEPK-QFIPXVFZSA-N 439.424 0.500 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1840161172 GMFQYULZJZKVGO-KEYYUXOJSA-N 435.637 0.804 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840231599 BMXUZGNCKONKIB-AVRDEDQJSA-N 426.473 0.154 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)Cc4ccccc4)C3)C2)CCC1 1840816372 PIPRBHIWUYYHHA-AUSIDOKSSA-N 427.501 0.740 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CCCN1 1840820234 FWIFXTHINWQRSO-PKTZIBPZSA-N 442.516 0.536 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1840908476 MLDQKIBXYJNPEP-HTAPYJJXSA-N 435.521 0.769 30 20 ICED O=C(c1cccn2c(O)nnc12)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300360 ADPCPYGVEQBMGK-XYHOIZSOSA-N 428.449 0.781 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1847000720 PHFAFDJUJHHKRK-UHFFFAOYSA-N 432.521 0.683 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 29259061 WNFBFNGWMUKPCQ-UHFFFAOYSA-N 430.446 0.755 30 20 ICED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 427116861 ZMMBJNJGDRTZIR-UHFFFAOYSA-N 427.435 0.949 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)n2)CC1 427335767 GOLRMZINJRFFBG-IQMFZBJNSA-N 447.499 0.960 30 20 ICED C=CCOC[C@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OC 435932487 CNYGNCPICSZHSK-AWEZNQCLSA-N 429.495 0.743 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)n2)c(F)c1 439359997 ZUNGTDBSCHFOPE-KRWDZBQOSA-N 440.479 1.535 30 20 ICED CCOC(=O)[C@@]1(COC)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 439487585 UNFMNCVZLOMGDO-NRFANRHFSA-N 433.509 0.795 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cccc(C)c1 440387658 HGKDLWZZGUFKDE-UHFFFAOYSA-N 434.477 0.938 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](COCCOC)C2)cc1 442525024 ICPGLVNXJQEPRT-MRXNPFEDSA-N 439.534 0.943 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 460620894 VCMGTAUQBAUHMI-FQEVSTJZSA-N 441.517 0.402 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCOC[C@@H]2C#N)c1OC 465463713 ZAXPWBXASXWMKB-ZDUSSCGKSA-N 425.463 0.089 30 20 ICED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 472275156 ISMRDRWRRFPYCX-ZWKOTPCHSA-N 427.553 0.582 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)n2)c(Cl)c1 481300162 QKYWCKVLSSIRLG-UHFFFAOYSA-N 440.855 0.760 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 484515797 IUBXTQPBNLVTRD-MRXNPFEDSA-N 438.444 0.092 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C2CC2)c1=O 488146964 QDVXYDSHLXEWJJ-UHFFFAOYSA-N 443.550 0.313 30 20 ICED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490064303 PMGKVLFIGUANGX-UHFFFAOYSA-N 443.467 0.382 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 506939646 JRLXLEAALYSSGI-UHFFFAOYSA-N 445.505 0.174 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 524282148 SLCKOQARZCDPDM-UHFFFAOYSA-N 448.451 0.122 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)s2)c1=O 531655222 UACKWTRTGLXEGA-UHFFFAOYSA-N 449.554 0.378 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 535828401 SEAXGSAKXOXILB-SJKOYZFVSA-N 441.469 0.614 30 20 ICED CCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 538537600 ROPDYWFEBUOCEJ-UHFFFAOYSA-N 426.495 0.793 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCOC2)c1=O 549937376 UTPIVMDMMFTQEB-INIZCTEOSA-N 444.557 0.907 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCn2c(C)nc3ccccc32)CC1 550052728 MDALLFXBGZJSFV-UHFFFAOYSA-N 426.521 0.297 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 560014740 CQPSGEHUUAXVRB-IBGZPJMESA-N 426.565 0.597 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 561414541 GRFQJNMYGLDJPM-TZIWHRDSSA-N 447.624 0.982 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)CC1 561452101 CIOKHQQEDSYIDY-GOSISDBHSA-N 437.566 0.358 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cc2)ccn1 562907040 YKVLDJBJUPUKDC-INIZCTEOSA-N 444.469 0.692 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 565446075 ZPCSEORKGXTCAZ-QXATTWAWSA-N 426.473 0.182 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 576417510 ZCOQQQJVZFBTAF-UHFFFAOYSA-N 438.900 0.715 30 20 ICED Cn1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C1CC1 577029970 SYNAPRUWZAJFOM-UHFFFAOYSA-N 442.501 0.641 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc2[nH]ccc12 577796566 ZWVHTYWCURWYFS-UHFFFAOYSA-N 427.461 0.967 30 20 ICED Cc1c(I)cn(CC(=O)N2CCCC[C@H]2C(N)=O)c(=O)c1C#N 581241595 AVIQISMTKNADNG-LBPRGKRZSA-N 428.230 0.499 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)c1 589399558 KGZKUJPBBCOMEB-UHFFFAOYSA-N 432.444 0.830 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603792934 HQNZZEJKKJMCQH-UHFFFAOYSA-N 426.454 0.366 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 604218959 PHANHPBFGYMMIF-UHFFFAOYSA-N 447.459 0.995 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccs2)c1=O 609563967 IOAKGOPUYDKDSJ-UHFFFAOYSA-N 448.595 0.138 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1cccc(C)c1C 743725182 HIWOEYFERVOXFK-UHFFFAOYSA-N 437.525 0.608 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOc3ccccc3C(N)=O)CC2)o1 750544996 BAUIVLACSHPBOE-UHFFFAOYSA-N 441.444 0.615 30 20 ICED N#Cc1ccc([C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C(N)=O)cc1 758093567 XCKPBMKSZAXPKG-CVEARBPZSA-N 437.861 0.621 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cncs2)c1=O 767881808 ANBGEFCVPYDMFQ-UHFFFAOYSA-N 447.586 0.070 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2nnnn2CC2CC2)C1=O 769748954 HFLJKNYVMBQIKL-GYKMOOBXSA-N 428.522 0.657 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@H]1CCCO1 773797046 MOLLQCCJJURTRY-FUHWJXTLSA-N 435.502 0.251 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NC3(C#N)CCC3)c2)CC1 784191207 JUBSDMHBNGGHFR-UHFFFAOYSA-N 448.501 0.259 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 794582657 XEPOLKKDVSLXOK-CQSZACIVSA-N 429.498 0.459 30 20 ICED CN(C[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1)S(C)(=O)=O 795656163 UWYLQZWHCIWTQL-INIZCTEOSA-N 433.534 0.883 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 804047732 FKDQMPVYHJICOA-ZDUSSCGKSA-N 433.513 0.278 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCO1 804105416 RGDSSMOYGGNXNE-HOTGVXAUSA-N 436.306 0.982 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 804257471 WPZWINUWYIWBMZ-UHFFFAOYSA-N 430.509 0.975 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](C3OCCO3)C2)[nH]c(N2CCC[C@@H](C3OCCO3)C2)n1 804407437 UOEHEONYPNMUGM-IAGOWNOFSA-N 444.536 0.517 30 20 ICED Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808237619 YXTIFACXTBEYAQ-OALUTQOASA-N 434.500 0.915 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1C#N 809502383 LXPCCCJPBAHWCN-MRXNPFEDSA-N 427.505 0.338 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCNc2ncccc2C#N)c1 917155543 KDDPFAIEGRINOZ-UHFFFAOYSA-N 432.506 0.374 30 20 ICED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 1136704025 ITPLOFOSPAYTEI-BRSBDYLESA-N 436.306 0.571 30 20 ICED CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1177895083 ZCYPZJWLFCILON-GFCCVEGCSA-N 427.852 0.558 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1Br 1211369067 VZMGBPJQFBAGEC-VIFPVBQESA-N 426.289 0.901 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cn[nH]c2)C1 1505141892 ZPXWRLRLEWWPAC-KRWDZBQOSA-N 448.553 0.707 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1555807212 RZXULDGSWXCVII-AWEZNQCLSA-N 439.519 0.122 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CCO1 1696962864 NCYJHYGSWITHPS-DFYVNMARSA-N 428.518 0.679 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1711418236 INLUKILBTKSXIU-INIZCTEOSA-N 441.521 0.836 30 20 ICED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1729199422 GHUBAHYPDYMVCS-ZDUSSCGKSA-N 432.572 0.453 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCOC2=O)cc1 1731184766 ITHGWEDSSLHWJM-UHFFFAOYSA-N 439.476 0.897 30 20 ICED CC(C)NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741697142 AIZTXEAAYRJQKP-MRXNPFEDSA-N 437.508 0.627 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CCO1 1750017116 TZZHFNVUMDCPTE-SFHVURJKSA-N 425.493 0.683 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1751240069 ZBWNWQBUXRGDBQ-HZPDHXFCSA-N 439.586 0.739 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779232184 CUBQVJIANMUANC-VGSWGCGISA-N 430.505 0.155 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1779270051 XSFNRAXWZUNVNH-GSHUGGBRSA-N 432.521 0.821 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1ccnn1 1779429058 TXZYWAVQDWSAIO-QIFYCKQSSA-N 448.524 0.882 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782013546 UOXGUKIJKVKQJE-XMSQKQJNSA-N 425.441 0.782 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783153570 SCBTUDYYBGTMSL-YCRPNKLZSA-N 438.525 0.551 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C[C@@H]21 1783531833 ZMHPUPSCNGXXQD-CGBYHPMASA-N 430.549 0.165 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565634 OEHMIUMFUDAQOA-AOMKIAJQSA-N 449.504 0.764 30 20 ICED CC[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 1783580666 UWJBYTZTWPOXIB-RBFZDXINSA-N 438.525 0.410 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1783910997 PWQZXBVAIZNQDR-QFIPXVFZSA-N 440.537 0.316 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1785576412 LORZNIQCPUGREL-IIBYNOLFSA-N 446.508 0.025 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4C[C@@H](O)C4)[C@H]3C2)c(C#N)c1 1788120583 BREADEBSDLTALV-VDBJYJQWSA-N 427.501 0.860 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788530683 IOTWBYQFAISPDO-XUXIUFHCSA-N 437.415 0.873 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789768201 OOORZRKBZUHJGR-JIFZMYKYSA-N 433.549 0.958 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccc([N+](=O)[O-])c4=O)[C@H]3C2)C1 1790652164 FPDHYSKUKIYJKU-ZVZYQTTQSA-N 430.461 0.702 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C 1794472155 KAJQUGQJEMOHSS-CWPLJXCYSA-N 430.505 0.860 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c(O)n1 1795439740 DTCJVLFLEJKVID-UPHUGPLXSA-N 444.532 0.441 30 20 ICED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cccnc1 1795682579 QAIRPQDEHRAUMQ-IOYQLSIDSA-N 425.489 0.773 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436888 LGEXGEMYYMLSQV-IZZQQSIFSA-N 441.594 0.994 30 20 ICED 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CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806767173 VPWAWIYDDWNQFE-SJLPKXTDSA-N 435.550 0.414 30 20 ICED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)ccc1F 1814826587 OWCTVHMGYUVGFI-LBPRGKRZSA-N 429.481 0.792 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2)C(=O)O 1815080992 XJEXODOTXQNPKK-LNJYJFPRSA-N 436.538 0.590 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(O)n1 1817061021 LGWXVYVHRZVXTJ-OCCSQVGLSA-N 430.534 0.874 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)NC(=O)OCC)sc2C1 1819457910 DGABEYMYEQJGMG-GDLVEWKHSA-N 426.495 0.711 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774169 JHUCNQYJWLNPAO-BIMBYPIRSA-N 435.554 0.120 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825072094 NDAWDGZKJGUWPU-IAGOWNOFSA-N 446.552 0.486 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800559 FUPQGSFIDNKASU-RDJZCZTQSA-N 431.470 0.922 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2)CCO3)ccc1F 1829877560 ZCWALQHDKBGOOM-QHCPKHFHSA-N 444.507 0.792 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)COC1 1830034763 FUOYWAOWMPPQDN-JOCHJYFZSA-N 439.472 0.541 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831217773 AFESGOCQIPNVBO-HXUWFJFHSA-N 427.486 0.570 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1831391267 LTUFJWIDXLTEQE-MBSDFSHPSA-N 430.501 0.732 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831406862 JLGAOWRUEPNXEC-JOCHJYFZSA-N 443.504 0.782 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831483832 OZYVVTXQOPLRME-FUHWJXTLSA-N 434.580 0.303 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831488028 VDFONCBFSGCSRW-TXPKVOOTSA-N 442.607 0.424 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831493789 VSFMJFZAXWVUJD-OPYAIIAOSA-N 442.626 0.033 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1832458246 GSRIQGPLGSMRQN-HXUWFJFHSA-N 438.502 0.793 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3(COC)CC3)CC2)CC1 1833074388 MUWKXKQQGLVUPD-PLNGDYQASA-N 432.565 0.843 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cncc(O)c3)CC2)CC1 1833076686 KTDWAHSPNSTFDB-ARJAWSKDSA-N 441.532 0.831 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)cc1 1833106743 SMZMDOACGLWHGV-UHFFFAOYSA-N 436.520 0.359 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833339640 ORTCFQHOMBBIOB-QFIPXVFZSA-N 428.489 0.914 30 20 ICED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833506068 OAQZGBACTUDYQR-HLQTZPMBSA-N 446.508 0.027 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833885093 AFCJAJVHZFSXBA-KSFYIVLOSA-N 438.488 0.826 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835424993 CHGDHJJXHZNBSM-JOCHJYFZSA-N 428.489 0.035 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778810 SYLNTPVCGHFMIX-HUSFYUSLSA-N 431.537 0.782 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1836124091 DDZIOEHTBWTMHH-UHFFFAOYSA-N 441.536 0.235 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1836715025 YOCAAIRKVJGCCG-JKSUJKDBSA-N 434.489 0.662 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837429325 SOQAJZRRLLGMOZ-HXUWFJFHSA-N 433.585 0.926 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837442015 LWJHYZHBWUFHDX-OVRHDEQLSA-N 432.525 0.120 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)o1 1837489562 NEYDORQGTMZCJU-JOCHJYFZSA-N 446.504 0.076 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837489730 SIFPWWCJXQCKQY-DEOSSOPVSA-N 448.560 0.958 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837561444 LSTGNKOIWCIHRI-MXQUFTJQSA-N 433.461 0.274 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838036772 HLOCISJUWXEZSS-FOIQADDNSA-N 442.463 0.921 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949673 PCYJLWBTIKLXJQ-HXUWFJFHSA-N 435.502 0.063 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1839173393 MPIFRPVANAHAAC-UWJYYQICSA-N 434.493 0.410 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185983 UVXNRRLTYYNPAO-OPAMFIHVSA-N 433.480 0.979 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811737 MFTIDNKRTFKQJI-MIVHDCIWSA-N 447.532 0.864 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049881 QRFVBEUHRKXXDT-FDGPYGQJSA-N 446.544 0.709 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840291945 OIXIAEFFEPIWQJ-PXNSSMCTSA-N 428.551 0.317 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840483635 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WGTCEQBSEDJVAJ-OAHLLOKOSA-N 436.534 0.947 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)n(C)c1 496111392 MJPOOBIAURQFRA-AWEZNQCLSA-N 440.489 0.698 30 20 ICED CC(C)N(CCCNC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513979273 AKQRWBADHQMITJ-IERDGZPVSA-N 447.561 0.508 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 515400501 QPPAMIDIZUWHGU-UHFFFAOYSA-N 428.533 0.819 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 515700448 VRONSWIZWRQNOY-LJQANCHMSA-N 432.484 0.914 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 516408086 XPALPJPPCBMDKK-UHFFFAOYSA-N 436.472 0.951 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 524282925 SRDMGMYXHZGRGC-UHFFFAOYSA-N 447.900 0.895 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1Cl 526038084 XJRPOYYYFNFMNM-AWEZNQCLSA-N 445.928 0.856 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O 532828518 LANCEIBITHDJJA-AWEZNQCLSA-N 440.481 0.980 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCCC(=O)OC 533691233 YTUJAUNULAVFPL-UHFFFAOYSA-N 447.463 0.946 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 537172138 BAPJIQYOWVEWLO-ZWKOTPCHSA-N 431.562 0.780 30 20 ICED C=CCOc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 537616563 FZDRZWJKNGUDHO-GOSISDBHSA-N 437.562 0.681 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 549691278 AWMYIZLOEHVGHR-CQSZACIVSA-N 448.615 0.763 30 20 ICED N#Cc1ncn(CCNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 552327441 YYYXCEVOJGBCCD-UHFFFAOYSA-N 432.384 0.533 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[S@](=O)C[C@H]3c3cnn(C)c3)CC2)o1 553919649 XCUMVAWFEPQACO-ZOKDDAQRSA-N 431.522 0.042 30 20 ICED COC(=O)C(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 563766165 NNIFKQSTOSIJTA-UHFFFAOYSA-N 429.520 0.394 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 565125353 AOVYCQQMVNEUNF-NVXWUHKLSA-N 441.550 0.706 30 20 ICED CN(C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1)S(C)(=O)=O 565496868 HMJNLKKZOAFCLT-OAHLLOKOSA-N 442.563 0.622 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 573708647 QEDFATFKGMQYHC-IBGZPJMESA-N 441.532 0.087 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2)n[nH]1 578401361 IQEVYRACTSYKLO-UHFFFAOYSA-N 439.524 0.066 30 20 ICED CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582263179 ICHDCIHERJVPKE-LJQANCHMSA-N 438.488 0.013 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccccc3-n3ccnc3)CC2)c1C#N 585774029 UXNNLBCGQVZWCM-UHFFFAOYSA-N 432.488 0.751 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1=O 603675828 CZRZSHRPMOQBOB-ZDUSSCGKSA-N 438.362 0.904 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 609939705 RFEJYGUTMZDFQD-UHFFFAOYSA-N 441.513 0.797 30 20 ICED Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n([C@H]2CCS(=O)(=O)C2)n1 610697996 ZXCKHJFAJAYGFL-CABCVRRESA-N 444.521 0.955 30 20 ICED Cn1ncc2c(N3CCN(CN4C(=O)N[C@](C)(c5cccc(C#N)c5)C4=O)CC3)ncnc21 725768503 LJWJGMWWNSFTEH-JOCHJYFZSA-N 445.487 0.782 30 20 ICED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)cn1 726181845 FBWDPISOBMFGKO-UHFFFAOYSA-N 432.444 0.862 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)c1 727405064 CFDJUFQIKPNTTE-CQSZACIVSA-N 435.527 0.997 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 728570348 ABSMFOXZKHFUDX-UHFFFAOYSA-N 425.577 0.443 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 728590168 UUIFNZKGOMZFDD-UHFFFAOYSA-N 445.295 0.413 30 20 ICED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CCO[C@H](C#N)C2)c1 729979616 NPTUWHCVAWFYRZ-SNVBAGLBSA-N 449.270 0.906 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)c1 737239111 BKCLSFPAOUVGJT-PXLXIMEGSA-N 438.506 0.896 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)N1CCc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 744095325 DYRBBSHZRZJBNS-CYBMUJFWSA-N 448.526 0.927 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 747277076 GEXDEFPNSCALHM-UHFFFAOYSA-N 441.575 0.153 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=Cc2ccc(N3CCOCC3)cc2)CC1 749780727 YFHKKZCELRBKKE-UHFFFAOYSA-N 445.564 0.933 30 20 ICED COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1cccc(C#N)c1 751633998 CTTVKIJMBYMPOL-GOSISDBHSA-N 447.469 0.989 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 751879461 WQLDRMCDEAPAJE-UHFFFAOYSA-N 435.282 0.189 30 20 ICED CNCCCc1[nH]nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1C#N 760305134 AVSLAELOZAVGPB-UHFFFAOYSA-N 446.489 0.477 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761172192 LOHOEFRRDQSJHS-OAHLLOKOSA-N 431.468 0.822 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(-c2ccco2)o1 762814001 DZABTIWMBSQZHU-UHFFFAOYSA-N 445.413 0.940 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 765893552 ISMXRYJOSHSMPU-UIDRDQRISA-N 449.533 0.469 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)c1 770217714 MXDYIQIHVAUWFJ-UHFFFAOYSA-N 436.486 0.603 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3ncnc3C2)c1 770800712 INQJUOHLYBBKKL-PXLXIMEGSA-N 431.478 0.072 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)[C@H]1CCCO1 773562597 UOGZMJWQTZRQON-DZGCQCFKSA-N 435.531 0.888 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 784924717 JLCFJWDQWORDMK-UHFFFAOYSA-N 447.513 0.530 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839369170 FHHXLCGOXUQJJL-CYBMUJFWSA-N 435.575 0.051 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 856409398 PXLSNWAPKBTUJO-GJGORFQUSA-N 444.492 0.296 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ncnc4sccc34)CC2)c1=O 914785368 SHORUHORIKRRRJ-UHFFFAOYSA-N 441.517 0.328 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 916868483 QPGWTVONMHXGDB-INIZCTEOSA-N 440.522 0.944 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 917354995 ISFGTSMWSXIDBN-UHFFFAOYSA-N 429.546 0.278 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 918803762 CVBCLYGSBAAUQU-MAUKXSAKSA-N 425.507 0.637 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 920258680 VMAAYTKWSZTATO-UHFFFAOYSA-N 445.549 0.887 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOCC 1253611779 IWJCQRLMXLYDQH-UHFFFAOYSA-N 431.489 0.899 30 20 ICED CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1COCC12OCCO2 1299215636 IQODRKHPVFNQAQ-INIZCTEOSA-N 437.518 0.647 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299318167 UBJSOIXZOKVOFV-AWEZNQCLSA-N 445.553 0.157 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CC(=O)N(C)C 1544582290 JQSDJQWYQZWMMQ-INIZCTEOSA-N 446.519 0.729 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1613085393 BOKDWXLTHRUPLP-KXBFYZLASA-N 440.570 0.902 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1617728611 IRKNXIGIYLXDGT-KRWDZBQOSA-N 428.518 0.966 30 20 ICED CCCN1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1683284393 UPDXBXNFMSYYKK-KRWDZBQOSA-N 433.534 0.833 30 20 ICED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710989145 YUOLMWMMNXIDDG-OAHLLOKOSA-N 442.549 0.534 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C 1741132386 KDKCFQNYJAUQOI-CABCVRRESA-N 441.558 0.075 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 1763083032 VFFDDXWADYWKRE-HOCLYGCPSA-N 428.518 0.918 30 20 ICED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1769874904 QXOBUFMGTPZWIG-KRWDZBQOSA-N 433.538 0.811 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115840 BSVDHCMBJXQPPQ-HXUWFJFHSA-N 425.551 0.291 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474982 HLJWDYJFBMUVIJ-MXZSFLGVSA-N 442.476 0.702 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778551700 HAEDOSUWJLBLEA-NRFANRHFSA-N 430.509 0.391 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779064497 BJQWXHBHWXZFLA-HSZRJFAPSA-N 437.500 0.871 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779232181 CUBQVJIANMUANC-JTSKRJEESA-N 430.505 0.155 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1779554845 VIXCUAOOIPQBSO-PFRQMTDMSA-N 429.583 0.606 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779965991 NZUYTGCKYQIFAD-IIBYNOLFSA-N 430.509 0.592 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)ccc1F 1781300994 KQGJPMSTLUKAOU-NRFANRHFSA-N 428.420 0.864 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCC3(CC2)OCCO3)C1 1781643115 IKFWPWRNSARKBC-DYESRHJHSA-N 434.489 0.522 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1783054267 FJRABUOIAAADSF-FQEVSTJZSA-N 432.477 0.215 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)(C1)C2 1783444219 UPJLVRRGKOENKJ-XWNPTURTSA-N 432.521 0.631 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)CCO2)C1 1783896102 BHKRPDVNHYUHKB-BUXKBTBVSA-N 433.490 0.440 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1785224905 AVKHTWNBGRILSN-HXUWFJFHSA-N 435.477 0.976 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787627651 CEDAOOJWBMXJFN-LVPXVQOHSA-N 446.552 0.595 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1788523672 AHCFMMHESGAITH-JKQORVJESA-N 441.492 0.174 30 20 ICED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788630999 BORXJVAYOHQRLT-JYJNAYRXSA-N 447.561 0.872 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1ccnn1 1788660779 LJWNTBBUDJYALT-GWIMZMMBSA-N 434.497 0.348 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789249019 QGFSVQRJXHTIDM-SNRMKQJTSA-N 443.500 0.979 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5ccc(C#N)cc45)[C@H]3C2)cc1O 1790328751 OPYRCBOPNWPJGL-YEWWUXTCSA-N 449.471 0.781 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1792147498 UBOGUXXBAWMFMS-MPGHIAIKSA-N 426.429 0.924 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)cc1 1792423699 SEWWAPNPAIHAOS-RUMRUAAYSA-N 440.544 0.803 30 20 ICED O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CN1 1792582675 UEQBKTAAFDYCGO-RVIYANCUSA-N 431.514 0.603 30 20 ICED C=CCO[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 1792884714 WHIUCZYXCBEGSS-UHDSXZAQSA-N 441.525 0.053 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793563447 CHPMISDBVDTRBL-JXYJOFSCSA-N 441.528 0.842 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416889 ZKDUMOUQEOTVND-KYHPRHEASA-N 436.509 0.516 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C(F)F 1798676763 KZPHCULICPPRPY-OLDVJPBNSA-N 437.447 0.648 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1)N1CCN(C)CC1 1798862909 BGAWMRGDCVADSJ-DVWBAYGPSA-N 425.533 0.397 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO)c1ccc(O)cc1 1799341096 QSCYEDCYHDXQSE-CROMWVBPSA-N 430.501 0.488 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)cc1C#N 1800032640 QRCAATLESZPGLF-RCLSDMTESA-N 442.516 0.899 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1802685109 SAYFHMRLWFLIGO-PKOBYXMFSA-N 447.561 0.368 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1803544484 WKUGJTCZIMSQOA-UZKOGDIHSA-N 428.533 0.848 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1807205484 NVKLNIZYYODQQW-HLIPFELVSA-N 446.504 0.660 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810391723 IPUUJXMSJPEWBJ-QMUOXOFHSA-N 432.502 0.844 30 20 ICED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1813173965 FZCHNTOQGZNVFA-MLANGZAPSA-N 449.467 0.725 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814230589 MIBZZJHJZZQALO-UTKZUKDTSA-N 436.472 0.706 30 20 ICED CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)CC1 1819777264 VJIVTTNEYRWKHO-CAUNFOBBSA-N 447.609 0.774 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1829770212 FPMCAKMLOROJGX-RMUOZIPVSA-N 432.477 0.165 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830955917 SBQNFDKGZQLEOU-IBGZPJMESA-N 426.464 0.939 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969254 OBFUAAGQJYWYJV-HNNXBMFYSA-N 443.504 0.398 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834325509 CQULZBDNNYROGA-UHFFFAOYSA-N 441.536 0.361 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834761338 YDMSVELREGRTKI-NRFANRHFSA-N 436.509 0.613 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@@H]2C1 1834766986 IUMXZORZBNPZFH-UNMKOGDSSA-N 448.520 0.469 30 20 ICED Cc1ncc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)s1 1835680417 HWQNHAOBNLDLSM-NRFANRHFSA-N 449.577 0.732 30 20 ICED CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168685 KYMZJUZYJQIWCX-UHFFFAOYSA-N 428.537 0.940 30 20 ICED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCO1 1836272714 PZQONVIOSBUQRF-WCNTUGILSA-N 437.493 0.666 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837173292 RLJJOPMLXNIZRH-OPAMFIHVSA-N 426.473 0.671 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837442289 VPBNFXNJXQTITI-VCOZGABYSA-N 429.521 0.552 30 20 ICED Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1 1837443733 QFJUVQARRQDLSH-SGCYSOCQSA-N 429.521 0.932 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837524982 QPWQLJBUKXRWGL-REWVYZQPSA-N 446.504 0.989 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837524993 RCWQJROOTZHNRP-VIZCCBKPSA-N 449.508 0.328 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837525660 YCPBCCKFGNIPKM-QSMYGXHJSA-N 449.508 0.328 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563294 VQQLJIDGBKXECK-MHRHTVJOSA-N 429.477 0.131 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1)c1ccccc1 1837617773 ZGVMVCKGEPJFAB-QPPBQGQZSA-N 444.528 0.649 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)n3ccccc3=O)CCO2)C1 1837686284 FJNJZDRIJJJQNW-STSQHVNTSA-N 447.532 0.439 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837858881 JHXTXVSADQKDBW-VKUXZERMSA-N 448.907 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837950744 XPRWWNIWJFYJLY-XSAUMEDDSA-N 444.488 0.019 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c(C)n1C 1838382363 VWMOPFCJAIPADA-QHCPKHFHSA-N 445.564 0.994 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1Cl 1838598253 XUIIOYIAASRGQY-WJPUGNRLSA-N 448.907 0.004 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839215203 BTLIYGCULDMSKQ-PGRDOPGGSA-N 426.473 0.249 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224471 ULKABNULFIZQQP-YWZLYKJASA-N 437.497 0.300 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419733 SAHHJUIKEKUOPY-OYHNWAKOSA-N 446.479 0.682 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420641 VJPPPHVDRLHYKK-DYESRHJHSA-N 447.467 0.214 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549337 AWILOQSFBUYMBI-JTSKRJEESA-N 426.473 0.443 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)no1 1840160949 ZHRYIHHSIZLBDA-UGSOOPFHSA-N 426.495 0.086 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840790120 UMRMTTKNRWYACX-QHCPKHFHSA-N 427.501 0.872 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840842520 LGOBVFANQUHBGL-HXUWFJFHSA-N 431.880 0.866 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841600105 GGTQQJQILNCHQF-AWEZNQCLSA-N 434.456 0.426 30 20 ICED O=C(NCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)c1ccc[nH]1 1844299065 AIBNOPVRXKWKLN-BBMHEYIBSA-N 431.493 0.867 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844332768 ALFXQDBLOVXEIL-IIYXNSHBSA-N 444.492 0.327 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H]2CNC(=O)C2)C3)N(C(=O)OC(C)(C)C)C1 1846449875 AUKCWFXUOZXVCD-CVEARBPZSA-N 432.521 0.892 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCC1 430985858 AMRMYEBNFZRVAA-UHFFFAOYSA-N 440.481 0.905 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)n1 436960301 GSODBOJVLUCKIU-UHFFFAOYSA-N 445.439 0.768 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437664262 UMYHCQPGGUWUSF-IEBWSBKVSA-N 437.566 0.814 30 20 ICED C=C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 465340015 GPOZWYPTTZVANZ-OAHLLOKOSA-N 436.534 0.937 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 482834531 AMWGSAGYHWCUKQ-LZDZAVHKSA-N 442.497 0.148 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 483959112 RKJMQEFUIQODKB-UHFFFAOYSA-N 430.505 0.629 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)cc2C)c1=O 488121260 RKDJULJTCYKLNO-UHFFFAOYSA-N 445.566 0.307 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 491074683 HDZJLZYMLCMQLN-UHFFFAOYSA-N 441.391 0.581 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 501326215 POWGTMGXTFVUCM-UHFFFAOYSA-N 428.470 0.588 30 20 ICED N#Cc1ccc(=NCC(=O)NCc2csc(NC(=O)CN=c3ccc(C#N)c[nH]3)n2)[nH]c1 502054339 LYWOFBHJMKOHEK-UHFFFAOYSA-N 447.484 0.299 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 504025986 YUWVXJBWZMNZCT-UHFFFAOYSA-N 448.483 0.321 30 20 ICED C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 505639849 XMDPGHWLNFWLIR-ULVZMRLWSA-N 436.468 0.721 30 20 ICED CN(CC(=O)NCC(C)(C)N1CCS(=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 511096419 RXIGQPTZGMTVEV-UHFFFAOYSA-N 426.564 0.138 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 511849810 KYDJKRMIGFTOBB-UHFFFAOYSA-N 427.461 0.028 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(F)(F)F 519554290 DEFABNTWPGRSSY-ZDUSSCGKSA-N 434.444 0.607 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1-n1nnnc1C 519814430 PHTLFVDACBRUKR-INIZCTEOSA-N 448.443 0.864 30 20 ICED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 533061381 WMUSVNBCLDHLFO-AFAVFJNCSA-N 426.926 0.626 30 20 ICED C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCOCC1 542073943 XIMFITSHUOCZRF-HXUWFJFHSA-N 430.440 0.021 30 20 ICED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 554207975 XJUCNWVHAOPKSR-KRWDZBQOSA-N 432.525 0.059 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 556472958 DVMRCSKECIKCTA-UHFFFAOYSA-N 444.517 0.430 30 20 ICED N#Cc1cncc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 557532148 XATTWYIXFSQTRR-UHFFFAOYSA-N 436.515 0.594 30 20 ICED CN(CC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 558916478 CSNLIBGZEPLWHA-UHFFFAOYSA-N 440.547 0.205 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 561707952 VFBNFTJUBFSODZ-LJQANCHMSA-N 435.488 0.306 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1csc(N2CCCC2)n1 562227454 LJKOVTPOKZSQEA-UHFFFAOYSA-N 430.538 0.670 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1C 572261103 YPJIIDBXDUNPOW-UHFFFAOYSA-N 426.498 0.395 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 579686938 CCDOVDRITQOXQJ-HNNXBMFYSA-N 441.513 0.931 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(=O)N(C)C 586115507 DLPXSUGWEQGPFN-UHFFFAOYSA-N 438.509 0.773 30 20 ICED Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)Nc2nn(C)cc2C#N)c1 588259694 GEUHDTKCLMZZEC-UHFFFAOYSA-N 441.311 1.463 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC[C@@H]1C 588871218 ODOTUMAAHYKREQ-BXWFABGCSA-N 439.516 0.681 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 603551170 FMFHBYQWHJCDRX-UHFFFAOYSA-N 445.545 0.975 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604269993 LUOJQPSPJYUBQE-UHFFFAOYSA-N 438.553 0.740 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828136 HHVRUYCVANLSLW-UHFFFAOYSA-N 447.520 0.668 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608911585 BGSLCSUPKSLITB-UHFFFAOYSA-N 437.308 0.507 30 20 ICED Cc1nc(=NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)n(-c2ccc(C#N)cc2)[nH]1 610231857 GAAYENWJQJCVIF-UHFFFAOYSA-N 429.448 0.557 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 611175808 MWNDTGFUWZQETL-UHFFFAOYSA-N 445.998 0.766 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n(-c2ncccn2)n1 613504879 UXWKUULJBHGVMC-UHFFFAOYSA-N 447.459 0.995 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccccn2)C1=O 726403450 KLXSNULKNDDJNJ-IHIJCHFRSA-N 447.542 0.865 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc(F)c(F)c1 729542157 WIRWIMIUUOPULU-GFCCVEGCSA-N 439.440 0.950 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 731861709 KXYJPMIPEXGRHR-ITZAQCPESA-N 438.440 0.718 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 743213294 VSHZXYLSOCNJPW-WUKNDPDISA-N 437.478 0.259 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 743973966 GVCUCHQNFKMRIG-UHFFFAOYSA-N 432.458 0.299 30 20 ICED CCc1nnsc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749985833 PHSKCKIMMLKZMH-UHFFFAOYSA-N 449.514 0.662 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 755937189 LMYXYEFWUHMOKQ-GAJHUEQPSA-N 438.532 0.911 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 760879800 YRZWIWBRRZWANM-RMYFCYLKSA-N 449.508 0.535 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCc1ccccn1 767883549 KYYGBYOVXFPXEC-UHFFFAOYSA-N 441.538 0.270 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(CCCCCC)c(=O)nc1O 769638814 NHNKIICQLHOOON-AWEZNQCLSA-N 433.552 0.893 30 20 ICED C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 774443366 PMNICOJXLHIYLS-OPZXXQSVSA-N 442.563 0.711 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)[C@@H]1CCCO1 776229504 WTWPEBSRPSVMGX-CABCVRRESA-N 441.531 0.731 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 783480631 KOOLGELHCIYDGV-IBGZPJMESA-N 449.598 0.865 30 20 ICED COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788078005 RVNWHCIXXPHDEM-UHFFFAOYSA-N 438.897 0.946 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)nc2)CC1 791051778 HKEOWKIIMIUYDT-INIZCTEOSA-N 442.545 0.470 30 20 ICED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 797541870 YOBWPKXMJWKTJZ-LORYXUCWSA-N 449.533 0.423 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC(=O)N1C 800657669 WAUISISZSFSDNX-QIAIEURZSA-N 435.506 0.127 30 20 ICED C=CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800780928 OEYDZNXOARZEDU-OAHLLOKOSA-N 431.584 0.302 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 808238101 RWARQDMNPLKNTG-MSOLQXFVSA-N 441.488 0.512 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@@H]1CCCO1 809304242 GMKSFWPRIGIYDE-SNRMKQJTSA-N 430.480 0.594 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F 914463951 NBJDUUOPUAOMRU-INIZCTEOSA-N 425.482 0.753 30 20 ICED N#Cc1cccnc1NCCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916640579 XJULPIKTXUMFPX-UHFFFAOYSA-N 439.501 0.841 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 917207443 BQLCFEOHUPHYBW-UHFFFAOYSA-N 428.420 0.799 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(C)s2)c1=O 917763699 UOTWBJIWBCQAIQ-UHFFFAOYSA-N 429.571 0.528 30 20 ICED CCOC(=O)c1c(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 1216502160 LXHBFZLEVZLBSO-AWEZNQCLSA-N 441.510 0.680 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1301927966 QGSCLSNIFKAQOQ-UHFFFAOYSA-N 448.549 0.542 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCN1CCCO 1546527858 SUGYACHRJXSZLQ-SFHVURJKSA-N 441.584 0.928 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617431487 FSJQZJRBQPVFGC-HQSVMJNJSA-N 440.595 0.125 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618180432 HYHOWWVGZCMTFI-HNAYVOBHSA-N 448.570 0.992 30 20 ICED COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1619648687 KZEYWBQRIWVUBL-JKSUJKDBSA-N 439.538 0.352 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCCC1=O 1690994086 VPTMFKHYMCYMOI-GJZGRUSLSA-N 425.559 0.887 30 20 ICED COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1697728901 NUXCJYQJWCGJAN-KBXCAEBGSA-N 444.533 0.726 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1706748825 ZJTNJMLOKXNHPQ-RBSFLKMASA-N 444.583 0.343 30 20 ICED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1710197069 QSDUGFIJKYEFRV-SFHVURJKSA-N 435.492 0.818 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1710484385 SSITXEUZPKTGKA-NNMXDRDESA-N 447.584 0.685 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1722865289 ZHTAPEQAWFEZKN-CVEARBPZSA-N 440.618 0.510 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1752454130 XGIBYIDUMWHYGJ-GZRFBZBPSA-N 431.518 0.980 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779020306 KHJFNHNQBBIYDG-OVRHDEQLSA-N 429.477 0.726 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1779100929 HJZNYGSDNFASFN-XLKFECATSA-N 433.465 0.585 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1779337265 PIVHMVOGAGURMT-RZQQEMMASA-N 430.567 0.508 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cncn2)C3)c1 1780088712 BOWOBTUPHQJCJL-DENIHFKCSA-N 438.488 0.986 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c1 1780172901 KHFGHELZAMHVPK-OAQYLSRUSA-N 426.429 0.804 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn2[nH]cnc(=O)c12 1780698715 LPWLYHVVRDSUGU-HSZRJFAPSA-N 446.467 0.960 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781301266 TWLGZQWMBDSJEA-SIKLNZKXSA-N 446.479 0.221 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493237 SPYRHDKDSFJHRQ-WHSLLNHNSA-N 434.493 0.666 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782958261 AKZGFJJCWKSCLR-NQIIRXRSSA-N 431.514 0.773 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3csc(C)n3)C[C@@H]21 1783529207 HESUANADDMUNEF-GFXHUTCISA-N 432.546 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 1783530972 ACLMSCGZLDZOCZ-MLCVQOOXSA-N 435.912 0.375 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565999 UIWSGFJDVAPQKR-KSFYIVLOSA-N 449.504 0.551 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1784453927 NKZWSSVGDMSQEI-WDSOQIARSA-N 433.530 0.895 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1784597357 ABZYLNONIPTNNR-BFUOFWGJSA-N 429.868 0.903 30 20 ICED COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786424121 ZTLINPOZLBDQPC-BVYMMGMLSA-N 425.482 0.448 30 20 ICED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)n1 1787054304 KZYMGZCILCISEW-ZVZYQTTQSA-N 449.471 0.962 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656446 IREOKVOHKPTHSC-LNLFQRSKSA-N 427.505 0.815 30 20 ICED O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788495330 WKXJQUGCWDJSPO-YAZNDHELSA-N 431.537 0.273 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788606448 QWTUMWCOHUBHBT-MXCAFYFISA-N 430.553 0.971 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc5c4NC(=O)C5=O)C[C@@H]32)c1 1789344554 COJJIRDUYFCDCJ-OWQGQXMQSA-N 447.451 0.928 30 20 ICED Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)cn1 1791671994 XLPVFNURKOXZSR-ZJOUEHCJSA-N 437.500 0.893 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CC2)CC1 1795081540 ISSMQRZKJJXJMG-HATOLVCRSA-N 445.564 0.213 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1797711567 YJNLWGUKEDCUPC-RCJHGTSTSA-N 442.520 0.517 30 20 ICED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)ccn1 1797742232 NAJXHGXFKBNDGB-SISPWIDOSA-N 442.520 0.715 30 20 ICED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)C(C)(C)C 1797780622 BDMHFUQHNOTMEQ-KOUHRCEDSA-N 447.576 0.825 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)N1C[C@H]2C[C@H]2C1 1797812286 PKMCAAOARNFPOX-CAWNFDQDSA-N 434.537 0.445 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c1 1798573745 ITKPSADZOYQOKY-HGKCTWBKSA-N 449.467 0.578 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2ON=C(c4ccccc4)O2)C3)c1 1798692593 VCRLQADQXPTBGK-UNMKOGDSSA-N 435.440 0.824 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799149673 QKTDLVVVGHLACV-KAUDDPROSA-N 447.532 0.486 30 20 ICED COc1ccc([C@H](O)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1802805191 JUGVGBZYLQIQMX-HSQYWUDLSA-N 437.452 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cccnc3C(N)=O)C2)CC1 1807380513 YIMYFXHUVFPSAZ-SREVYHEPSA-N 439.516 0.884 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810223548 PRSWEUWHLABUNC-BEFAXECRSA-N 427.461 0.473 30 20 ICED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1814226810 VVGSQTGOERKRDM-LXUOZQJASA-N 432.481 0.285 30 20 ICED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1815062360 JUFYOKQSMOOFDO-KGLIPLIRSA-N 447.561 0.347 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817077334 HIWVZJBHPFNLEI-WWQCOOJYSA-N 444.473 0.429 30 20 ICED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)[nH]n2)CCC1 1823376878 ONROSMADYVHIGN-CYBMUJFWSA-N 436.436 0.535 30 20 ICED CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826892850 QXJWYZKKYWZECN-MSOLQXFVSA-N 435.569 0.951 30 20 ICED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)c1ccccc1 1831207937 BIWZNNVVFBASPT-DEOSSOPVSA-N 439.512 0.628 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4COc5ccccc5O4)CCO3)C2)CCC1 1832502984 XPCUMDQFMGXMKL-AUSIDOKSSA-N 441.484 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833038911 AJOHBCSTUABRMD-GCJKJVERSA-N 434.537 0.529 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833200922 FYAPZTWQKIXDBK-UEXGIBASSA-N 435.525 0.777 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833505533 FZTFUUKZOXQSAB-BTYIYWSLSA-N 434.493 0.128 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3c(C)noc3N)CC2)CC1 1834699166 OXVCMQJEFNOPON-PLNGDYQASA-N 444.536 0.609 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1Cl 1835307967 PMYHFHYFTGUMLW-IIBYNOLFSA-N 446.891 0.560 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354860 HDSWMVJWUAGAGL-HRAATJIYSA-N 436.509 0.756 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c2n1 1835357044 GJKZPFGFVXADNL-NRFANRHFSA-N 426.477 0.720 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)c1ccccn1 1835681091 PUQSMTFAKNDILJ-FDDCHVKYSA-N 443.548 0.923 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1836198659 DYIPCXSGTHBNNU-FZAQIRADSA-N 449.508 0.177 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1836874446 UZYGRVNOSVSUNB-OAHLLOKOSA-N 425.551 0.969 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837004958 SGMQKXOLIKWQOA-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837140197 SMXKOZKGLMLEQL-QFIPXVFZSA-N 425.441 0.305 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837398607 GDFFWWWJWWRUOZ-DVECYGJZSA-N 448.560 0.715 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1(F)F 1837447495 PRQUXXMDCQZFEO-FDKAMJSWSA-N 428.480 0.960 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837670993 YLZYCMUKKGBIJQ-CBGDNZLLSA-N 425.526 0.339 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1837935623 MNRWFDIPYIXRGT-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)C1 1838031153 KUXUXOJGLSZORL-VBKZILBWSA-N 431.518 0.860 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)ccn1)CCO2 1838087794 NXEOETILHMDEPZ-GOSISDBHSA-N 441.362 0.258 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)cc1 1838426964 MMSYNMFNABMORY-QHCPKHFHSA-N 446.467 0.985 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cocn4)C3)C2)c1 1838580622 NVVNKLWFCOIEJR-OAQYLSRUSA-N 426.429 0.939 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1838649350 HBRAUJNHQROPMI-SFHVURJKSA-N 437.537 0.894 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734887 OOGQHLXEEAEEII-OPAMFIHVSA-N 438.488 0.852 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)C1 1839806290 IPWFTDLGASEMPH-ISGGHPHESA-N 444.484 0.815 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)C(F)(F)F 1839893315 RLLVAEJALPSYDM-INIZCTEOSA-N 432.355 0.076 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1840851713 QLRZFXQXQHLQSU-BLIXFSHQSA-N 425.526 0.339 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1840913986 SNNGPUIMCIGJOR-NPFVIJTESA-N 433.505 0.545 30 20 ICED C[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1SC(=N)NC1=O 1843406866 RMZGZDKBUVJFNW-GDBMZVCRSA-N 432.546 0.691 30 20 ICED O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258387 UUIABCDURDNKPK-GIEPYWIESA-N 442.520 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245182 CWGSYYWYILMWPT-LJQANCHMSA-N 440.537 0.314 30 20 ICED COC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 23706307 DTAXEAVCEYXGDZ-UHFFFAOYSA-N 434.518 0.276 30 20 ICED Cc1c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cnc2c1c(=O)n(C)c(=O)n2C 438911416 KKWYLUKAGYNPIA-UHFFFAOYSA-N 436.447 0.914 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCSC 440381876 RAKOAABUUKNIFV-ZDUSSCGKSA-N 446.554 0.782 30 20 ICED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442467852 OKSWSQMXNVGMAG-UHFFFAOYSA-N 446.427 0.766 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461368235 WQRURZUGCZTGCW-MRXNPFEDSA-N 438.509 0.608 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 465418721 CVENIPCYDPVQFU-GFCCVEGCSA-N 449.393 0.748 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H](C(N)=O)O1 471045899 ZFXSUEIQZYUKJJ-DYVFJYSZSA-N 427.461 0.309 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCOC1 479369291 ZYZWHGAASJXSAH-AWEZNQCLSA-N 426.498 0.155 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480950137 KMOIROPLNPRRRH-INIZCTEOSA-N 437.481 0.139 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 491044121 CNTIFTIVNKUWIT-UHFFFAOYSA-N 441.532 0.616 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCCC(=O)OC 501779312 VYYQELVQOVXLIE-UHFFFAOYSA-N 429.473 0.807 30 20 ICED CCc1ccccc1-n1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C)c1=O 502062412 GRGPDWDIVFKRSV-UHFFFAOYSA-N 437.525 0.461 30 20 ICED CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 504402877 FRYOHAOSCBFRRC-UHFFFAOYSA-N 425.532 0.749 30 20 ICED COc1ncc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 505157725 CWQVSPLOOKOIDF-INIZCTEOSA-N 436.428 0.311 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 505184939 QOEGOTWMQSHWFJ-IBGZPJMESA-N 449.467 0.933 30 20 ICED CN(CC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 506687160 LORYJNAFPROOAN-GOEBONIOSA-N 428.536 0.013 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 508251749 OKTJYWYRCQEYOJ-AWEZNQCLSA-N 448.480 0.752 30 20 ICED Cc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cccc1S(=O)(=O)NC(C)(C)C 508319345 PKFYTWIPRODMKV-UHFFFAOYSA-N 433.494 0.290 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 508327595 URYNRMUZYLAMIJ-UHFFFAOYSA-N 437.382 0.760 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(C(=O)NCCCO)CC3)C2=O)cc1 508648786 OJFDFKJEUPFMED-LJQANCHMSA-N 427.505 0.974 30 20 ICED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508823091 BMQNWDAAZYGHKB-QGZVFWFLSA-N 444.517 0.935 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508840351 KTOBFWMCFIRJNM-UHFFFAOYSA-N 428.468 0.778 30 20 ICED N#C[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1Cc1ccccc1 510098968 IYLUMDSJXKIQET-VXKWHMMOSA-N 439.560 0.936 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 514343708 SKOUQHJXRNLPKX-UHFFFAOYSA-N 441.513 0.619 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1 514802186 JBJRRCLFHKOCCO-UHFFFAOYSA-N 439.497 0.914 30 20 ICED N#Cc1ccccc1CSCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 517104048 OZSORFJGSRWNAE-UHFFFAOYSA-N 443.529 0.794 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 523083215 WYUMKNLPPABSRJ-UHFFFAOYSA-N 425.511 0.767 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)nc1 532140142 MDUYEWYDAPLFEE-UHFFFAOYSA-N 433.493 0.265 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 533884724 LWZRWBCJMCLRMZ-INIZCTEOSA-N 429.546 0.488 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1C 534898959 HVWOOPCVHIFVOD-INIZCTEOSA-N 444.517 0.840 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@H]3C(N)=O)n2)c(F)c1 541140301 JYLOPUQZBOOKJW-INIZCTEOSA-N 427.440 0.278 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 552388977 HXVMYBZMHOXDBT-KRWDZBQOSA-N 441.532 0.437 30 20 ICED CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 561783715 LGNZRMDZWWYYJS-MRXNPFEDSA-N 425.468 0.955 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 569642460 DWTUYJGNYDKCID-FGZHOGPDSA-N 441.576 0.942 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 570195132 VVTNBCCLSZMOON-INIZCTEOSA-N 441.467 0.705 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)COCC3=O)c2)cc1 571728078 NTIQGVNEAICKPQ-UHFFFAOYSA-N 428.426 0.365 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1O 589448241 ODIHCWXLEUVJQA-INIZCTEOSA-N 433.486 0.518 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 608911933 JEHBOGWLXNRVMH-UHFFFAOYSA-N 439.324 0.730 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 609037767 ZJPSIKNSBQQMIS-UHFFFAOYSA-N 427.555 0.975 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609412588 VNVGONBTRBCZQI-UHFFFAOYSA-N 428.536 0.341 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 610807176 SUCVLIOFPGLZCH-QFBILLFUSA-N 433.578 0.852 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCOC1 611002333 IZAHUHFPYPQWDX-ZDUSSCGKSA-N 449.479 0.490 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2C)c1=O 725762319 KUULJZNEFSBJCR-CQSZACIVSA-N 433.505 0.658 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 728532348 WBPIJCMGGZNCGP-UHFFFAOYSA-N 449.471 0.879 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 728533919 VHTOYWKQFZSQTK-UHFFFAOYSA-N 432.546 0.415 30 20 ICED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732907901 FZPNIBNMYWAJKP-MRXNPFEDSA-N 448.526 0.939 30 20 ICED CSc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 732910203 LFVPEPDRGTZDDG-XJKSGUPXSA-N 435.527 0.727 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1 733148879 LWCYHIYKZAFHLZ-LJQANCHMSA-N 426.517 0.327 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 733202945 YVLAMXYVNDCSJO-FZMZJTMJSA-N 440.547 0.676 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742681943 CVZDFTIANGSTEA-IAGOWNOFSA-N 449.577 0.026 30 20 ICED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 743970556 PQFVNCLQJGYMNH-UHFFFAOYSA-N 448.545 0.776 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)cc1 746791277 VEMGICPAJAEJRE-NMWGTECJSA-N 447.561 0.992 30 20 ICED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 749384646 VJTUHYFKBIOGRF-OAHLLOKOSA-N 435.502 0.363 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 750582943 BZKYJISGYSSQIR-UHFFFAOYSA-N 425.511 0.948 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CCOC 753787960 FIIFORAAKRRJOR-UHFFFAOYSA-N 439.896 0.614 30 20 ICED N#Cc1cccc([C@H]2CN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)CCO2)c1 761188143 MGUSAFLQRUBJES-RBUKOAKNSA-N 440.481 0.911 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccn(C)c2)c1=O 763446191 KWPZHAOLYBIALH-UHFFFAOYSA-N 430.530 0.477 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@@H]1CCCO1 773793613 KLRDYFOHWLVTOW-HOTGVXAUSA-N 435.502 0.715 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4scc(C)n4c3=O)CC2)o1 776464717 RDYJHHKBHLOQKQ-UHFFFAOYSA-N 442.457 0.738 30 20 ICED O=C(O)c1cn(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 780319496 SMHLMXPBEWGCMF-UHFFFAOYSA-N 446.489 0.659 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 787777177 YTLUFVKKDWNVGF-QGZVFWFLSA-N 448.549 0.334 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)NS(C)(=O)=O 788175826 JHTCFIIPQDCLHJ-UHFFFAOYSA-N 448.295 0.680 30 20 ICED CCN1C(=O)c2ccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2S1(=O)=O 788477019 UROOHHGFNQINSM-UHFFFAOYSA-N 442.501 0.727 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)n1 789789130 ZTACUUIKXPCDHE-UHFFFAOYSA-N 438.488 0.968 30 20 ICED Cc1nc2ccc(Br)cn2c1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714745 RFVSDAUOSOWDOV-GFCCVEGCSA-N 439.291 0.985 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)ccc2Cl)C[C@@H](C)O1 804821404 NEEZDPKZWNFMCS-TXEJJXNPSA-N 428.898 0.507 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 916918371 SHTDWWVEGGNLJP-MRXNPFEDSA-N 433.486 0.885 30 20 ICED CNC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918441322 ZEYXZDUXWIJJMO-XQNSMLJCSA-N 437.522 0.470 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1288169784 JFNOMJNUWMKSFV-QGZVFWFLSA-N 446.533 0.738 30 20 ICED CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)CCOC1 1296570003 MMIQNAIJDCGMAK-OAQYLSRUSA-N 432.525 0.919 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1503284742 XTHQTZKXGJDYFC-IBGZPJMESA-N 446.512 0.898 30 20 ICED C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541865419 OQGVPSWOAIZJCA-CVEARBPZSA-N 445.549 0.719 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1=O 1555584876 OZZNCSZNFWOMDY-SFHVURJKSA-N 426.477 0.527 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1642410204 WJMXOVGUILZNSJ-INIZCTEOSA-N 445.907 0.762 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1678320044 LNHLFLTXWVLJNZ-UHFFFAOYSA-N 426.933 0.790 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705747548 OVOJJCSWZKQAIE-OCCSQVGLSA-N 429.934 0.952 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1708079338 OKQZIOZUAGRMEV-NCOADZHNSA-N 439.586 0.737 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1750387694 ZAHNLJJLNHMYTJ-MCIONIFRSA-N 427.431 0.842 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1751096740 WZELXGXWLBVYSR-DJIMGWMZSA-N 439.586 0.690 30 20 ICED CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769340296 UPMAQNQJKFLAOQ-HNNXBMFYSA-N 442.549 0.582 30 20 ICED COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1769874905 QXOBUFMGTPZWIG-QGZVFWFLSA-N 433.538 0.811 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778383225 HRZUYYBWGBZNKG-HSZRJFAPSA-N 448.483 0.646 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139408 SGOUPUFKWTZVNT-FDAJGNHISA-N 449.460 0.023 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1779336565 RCOBTQPTUOVZHH-OZQHCQBDSA-N 439.553 0.225 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)c1 1780349479 JIXINOGSHCFOBR-UZUQRXQVSA-N 448.483 0.888 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(O)n1 1784029712 DDLYNKJAWHFVMB-QMHKHESXSA-N 442.516 0.876 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc(OC)c3OC)C[C@@H]21 1784485830 RWRDGOHTDSKLPQ-CVYDXHPNSA-N 431.489 0.730 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1)n1cnnn1 1784597375 ABZYLNONIPTNNR-ORAYPTAESA-N 429.868 0.903 30 20 ICED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccccn1 1786868949 JUBCWHHGEUXHMP-JEEBJRHZSA-N 440.544 0.760 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1788631261 KCVYRNZCOZKHIC-MEZWHVQBSA-N 430.501 0.991 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc5c(n4)OCCO5)C[C@@H]32)c1 1789344030 DHUAOTOHQSGTTK-DOXZYTNZSA-N 437.456 0.960 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccnc4C(N)=O)C[C@@H]32)cc1 1789572772 ZWAMNMGLBHVATC-WDSOQIARSA-N 433.468 0.959 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1ccnn1 1790644101 OUQJLIRJJKLAPI-CAIZAGQASA-N 438.488 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791898027 YSGJLZSKUAQLHQ-FHWLQOOXSA-N 443.500 0.888 30 20 ICED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1792482074 NMKBYUNRLHZVHM-SCAQPMJSSA-N 426.502 0.897 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793354823 SVXSWHXFNPODLV-WISYIIOYSA-N 426.363 0.522 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3sc(C)cn3c1=O)C2 1793357639 STUPEOLBIFOCMU-PNBKFKSVSA-N 446.529 0.859 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1793364544 NBYNCJLTESICKT-XEMDLRDOSA-N 431.514 0.862 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 1796394720 MJGRLHXAVKHTDM-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445185 KBPULIOCYGKIBA-ZKDOOGTISA-N 433.530 0.943 30 20 ICED O=C1CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)C(=O)N1 1796894278 YAGIIRCTLXHKKF-FBKAWLDUSA-N 430.486 0.677 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1797115842 XKQHOEJJQKGNJY-KYHPRHEASA-N 436.509 0.516 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1ccccn1 1797977179 DKOOQPGITFODLA-LJCCNALRSA-N 430.505 0.981 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](S)C(C)C)C3)cn2[nH]cnc(=O)c12 1798459909 QLUFNHLFVSJPNT-IARIHHJXSA-N 433.534 0.489 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)c1 1798578481 SVQMLIYJESNLEY-XEMDLRDOSA-N 449.467 0.804 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1 1799801120 HANBCDNLCPDKOK-FCGDIQPGSA-N 431.514 0.647 30 20 ICED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801970460 LDCABEQJVMLTIV-ALXJQNPVSA-N 432.521 0.839 30 20 ICED 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)C1)C2 1802125261 RNPAWESZBMGOFX-DPTOJEBYSA-N 435.521 0.264 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1802499857 VOVAEWXDIVHELW-ADZMOFKSSA-N 436.516 0.922 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1803039179 MJZNWNHFAZJAEJ-XYJFISCASA-N 431.493 0.887 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1803605300 XLLXXLOTWVSKFZ-QGTPRVQTSA-N 433.534 0.594 30 20 ICED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)cc1 1814768246 WEXODKKWEXPDAD-ZDUSSCGKSA-N 449.429 0.965 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819366347 OWJREGDSOPURJB-RYRKJORJSA-N 435.525 0.626 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425458 HBYCWUBLWRXXTC-NVXWUHKLSA-N 444.536 0.693 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032450 LZAXVNORLMNMBS-WDEREUQCSA-N 430.490 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)oc3C)C2)C1 1829764492 NJUOZKLXSSCXJG-QJKPHDSHSA-N 431.489 0.825 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831951143 HOBAFJVNLMGMJD-VGSWGCGISA-N 433.505 0.733 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)C(F)(F)F 1832154767 FWQMIQQWFXVYHV-VQTJNVASSA-N 440.418 0.808 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(C)n1 1833447892 UBVODTCCIQYXGL-HXUWFJFHSA-N 428.449 0.012 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833705024 XMRPLKYPGHEJSE-MRXNPFEDSA-N 437.566 0.075 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cccnc3Cl)CC2)CC1 1833769495 DRUSDFRPQSTRGU-UHFFFAOYSA-N 432.908 0.937 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833897895 QZQAPEHYPQLYAQ-KMUCBOENSA-N 447.540 0.529 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2)C(F)(F)F 1833902799 UHJMMFGBTMDMNV-KRWDZBQOSA-N 432.399 0.929 30 20 ICED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1834048910 BCBHRDQUHHOICU-DHNIJCFSSA-N 429.521 0.932 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716706 OSQIISRBDHAVKT-IBGZPJMESA-N 446.596 0.461 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1834760187 IQMNDGJDAOEZKP-HXUWFJFHSA-N 435.502 0.220 30 20 ICED COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834970320 JQFHIKAAKIBLEF-GOSISDBHSA-N 442.394 0.688 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097397 YVPABHDRMHWJOP-NFBKMPQASA-N 427.501 0.409 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)OC(C)(C)C 1835207583 DGBDHPMJJGMMGE-NRFANRHFSA-N 438.525 0.859 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1835674985 IBGUFUIAFDGMKZ-OAQYLSRUSA-N 433.484 0.573 30 20 ICED COc1nc(C)ccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836001243 KGNTWHHOLLPRJY-UHFFFAOYSA-N 428.489 0.672 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)CCC1 1836973431 RUPYGANJMJFNPE-OAQYLSRUSA-N 429.477 0.429 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1837396792 KKVMQGSCBBVTOT-LTMIRXACSA-N 447.532 0.891 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1837397462 QKFXPAAWXYBIGB-MZLICYQSSA-N 445.560 0.758 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837433949 PLWWMXCJCIXJMV-QHCPKHFHSA-N 440.500 0.776 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445269 NGKVYGJVCNMWSU-IGPUNGKJSA-N 446.552 0.497 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798987 LATKATOGWCDXCH-INIZCTEOSA-N 429.380 0.599 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)cnc3Cl)CCO2)C1 1837851611 ITRKXSBASXIFFN-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 1838604019 FTNBDYLFCBSNNM-OAQYLSRUSA-N 447.444 0.792 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(C(F)F)n1 1838736196 PRBOJXWJNDSCEG-FQEVSTJZSA-N 448.430 0.941 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5CN4)C3)C2)c1 1838736206 PZBJYTQPTJNXSK-XUZZJYLKSA-N 449.511 0.671 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838737563 ZHJNXTDAAFWKGF-NQIIRXRSSA-N 432.477 0.544 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906509 NDOICBVSXAXWHG-JOCHJYFZSA-N 437.456 0.741 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951098 YKBXZOFVMHDZKG-DYESRHJHSA-N 429.477 0.075 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839410188 PDXAGCJMAWPVBJ-SZNDQCEHSA-N 438.427 0.779 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1839479791 VLCOQPLEALCDJI-KKSFZXQISA-N 445.545 0.964 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1)C(F)(F)F 1839893393 XFARGJNUZPDTME-GOSISDBHSA-N 439.394 0.918 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)C2)C1 1840042447 VZBKVZAICCSEPN-BPBCIEFSSA-N 442.493 0.419 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCCCC3(F)F)C2)C1 1840042662 HKOHPRCVXHMAPI-ZWKOTPCHSA-N 432.395 0.448 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840292222 DKIKIWHILIIDMB-JOCHJYFZSA-N 431.489 0.659 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841602618 DLKDQPPOSIARLZ-SJORKVTESA-N 442.516 0.864 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)C1 1842132072 WXZFQGYNAKUWTN-UHFFFAOYSA-N 435.436 0.859 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)[C@H]1SC(=N)NC1=O 1843409745 IGBTYSJFNNUCDC-SUMWQHHRSA-N 441.513 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc(OC)ccc2[N+](=O)[O-])C1 1843584885 BDXRJOYSYMPHKT-VURMDHGXSA-N 429.433 0.674 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(C(=O)NCC(N)=O)cc3)NC[C@@H]2C1 305002607 HTJZCNNXCSRWNU-MRXNPFEDSA-N 430.509 0.282 30 20 ICED CCOc1cc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)ccc1[N+](=O)[O-] 410413191 ISQIWTJFURCMOA-HNNXBMFYSA-N 425.467 0.585 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H](C)O1 435144103 ABXSBAWRNHIQEK-GASCZTMLSA-N 428.468 1.389 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H](C)C(=O)OC(C)(C)C 442332614 BAZALMMVRYORKN-ZDUSSCGKSA-N 448.524 1.143 30 20 ICED CCC(=O)NCc1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)ccc1OC 443751940 GEBXNDQPEWUZAU-UHFFFAOYSA-N 438.550 0.958 30 20 ICED Cn1c(=O)c2c(ncn2CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n(C)c1=O 471030132 SITQEDTUWFQOTQ-KRWDZBQOSA-N 441.923 0.970 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc(OC)n2)c1=O 479389283 HVQXKUKWBHMXBA-HNNXBMFYSA-N 443.525 0.849 30 20 ICED C=CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccnn2C)c1=O 488140943 GCKCBRSUDCAMTJ-UHFFFAOYSA-N 437.447 0.886 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 497724688 CTHRSCLROMHFHU-QUCCMNQESA-N 449.515 0.294 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 501924322 RERKUXNZAPYAOB-DOMZBBRYSA-N 435.462 0.355 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504957049 YOFRLTFBJJYAJR-INIZCTEOSA-N 436.509 0.675 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)c(I)c(F)c2)n1 508308016 JLBLIWLDCVSBON-UHFFFAOYSA-N 446.155 0.787 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 509139881 OATTWOPDQASNPR-CYBMUJFWSA-N 435.462 0.451 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n([C@H]2CCOc3ccccc32)c1=O 532799717 OYLQPUFEMYQFQX-KRWDZBQOSA-N 435.509 0.747 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 533884732 LWZRWBCJMCLRMZ-MRXNPFEDSA-N 429.546 0.488 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)CCCC2 538964290 KQVSJXKNLOAYHL-LSDHHAIUSA-N 435.550 0.719 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 540529726 IWMKWQUEXMLWLP-CRAIPNDOSA-N 428.532 0.617 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 543757924 SOOUGBYRMMKSOL-UHFFFAOYSA-N 449.537 0.562 30 20 ICED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 550570394 XAPRMQVNBNSPJE-QAPCUYQASA-N 449.515 0.971 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 553616009 VOGJSLCYWICJOY-LJQANCHMSA-N 444.605 0.697 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 562027447 IRKLFVXNJODUEI-QGZVFWFLSA-N 438.598 0.747 30 20 ICED CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 576428235 COZHFSWWKRTWAA-UHFFFAOYSA-N 443.548 0.010 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 579692267 ATERDSIDDZIYAJ-FQEVSTJZSA-N 447.495 0.945 30 20 ICED CN(CCN(C)C(=O)CNC(=O)c1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 588867579 XVRMJZNLVCSNMP-UHFFFAOYSA-N 447.495 0.974 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C(=O)N1c1cnn(C)c1 589034839 OCPDRIIAYOCITC-IMFGXOCKSA-N 449.515 0.267 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1C 591000468 UBTVESSYXYHERN-UHFFFAOYSA-N 425.510 0.924 30 20 ICED CCC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 609487310 KKFGMKUQOIDSLC-FQEVSTJZSA-N 436.534 0.713 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(=O)N(C)C 609739285 QYKZOFWEYZBDNN-UHFFFAOYSA-N 444.532 0.865 30 20 ICED CSc1nc(C2CC2)cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C#N 619565042 QPWWRYBSKOTWHI-UHFFFAOYSA-N 443.529 0.696 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 642709382 UIGIJQVXQMRVAD-UHFFFAOYSA-N 445.567 0.449 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c2=O)n1 682877027 SYSXBJYJNYMSTQ-UHFFFAOYSA-N 442.541 0.910 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)C1=O 726042094 BOBHJYZVGTZESH-LLVKDONJSA-N 437.430 0.149 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(O)cc3)CC2)o1 727538772 IOZAXXRLEXCYGX-UHFFFAOYSA-N 427.417 0.182 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1 728536058 GXYBJJDDENXIEU-UHFFFAOYSA-N 434.562 0.579 30 20 ICED COCCN1C[C@H](C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1=O 729068657 FBHGVHKCAIRJLW-AEFFLSMTSA-N 438.488 0.775 30 20 ICED Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1S(=O)(=O)NCC#N 731183220 XEYAPVPXVTZKII-UHFFFAOYSA-N 427.486 0.985 30 20 ICED CC1CCC(NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 732468336 MCDLMCVEZOUGIL-QZQOTICOSA-N 446.552 0.535 30 20 ICED COc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732911013 WPCMPHSJJXFAKX-HNNXBMFYSA-N 449.514 0.334 30 20 ICED C#CCOc1ccccc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 734176008 AIEKJSHXCVWMFM-UHFFFAOYSA-N 429.498 0.995 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 735837277 QZPUXIPWLWPPSW-JZRSTAGNSA-N 431.537 0.552 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)ccc1F 741204119 NHYJKAFXUJBIIE-UHFFFAOYSA-N 430.483 0.783 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)ccc1F 742912436 OGLGEWNEUWCINF-BLLLJJGKSA-N 435.481 0.947 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)NCC(=O)OC 744594229 OMAQDMDXOZRJLH-YEJXKQKISA-N 429.429 0.372 30 20 ICED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 746240091 VKLAHPDWQRELCX-JZRSTAGNSA-N 431.537 0.742 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)CC1 747994021 WGGBZLPORJSUKH-UHFFFAOYSA-N 426.473 0.749 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1)c1ccccc1 749862423 QZWHHDLVQYQMEF-MRXNPFEDSA-N 449.536 0.846 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CC1 756143813 RAQUYPOZQSXVRW-LJQANCHMSA-N 437.522 0.779 30 20 ICED COc1ccc(CN2C(=O)C(=O)N(CN3CCN(c4nccnc4C#N)C[C@@H]3C)C2=O)cc1 756875647 JBIYLUYILXXYQR-HNNXBMFYSA-N 449.471 0.816 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 757600521 RTMJJQIJIKMLSR-IXDOHACOSA-N 435.525 0.042 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)nc1 774955138 KCZONOPUZOWWAZ-UHFFFAOYSA-N 435.532 0.415 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 777292747 ZWBYDHPVEWWPAZ-UHFFFAOYSA-N 435.506 0.294 30 20 ICED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778116097 QMCDPABWUHTDET-GDBMZVCRSA-N 434.474 0.083 30 20 ICED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782130400 UUXGFJRWPLNJNO-UHFFFAOYSA-N 430.490 0.524 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1 783463807 GVEAUUOFGIKKAV-UHFFFAOYSA-N 427.482 0.948 30 20 ICED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 785210190 HDGJJZAKEDQMFN-RTBURBONSA-N 431.452 0.450 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 786310538 JOIQXLBJVCWPTP-CYBMUJFWSA-N 442.494 0.826 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)C(=O)NCCNc1ncccc1C#N)C[C@@H]2O 787776815 WZVDEQFBHYCVDP-HNNXBMFYSA-N 425.445 0.574 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)n1 789792836 AKGIYJSRFJNGOF-UHFFFAOYSA-N 447.517 0.762 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)OC 795399954 BQYVOHSSKJYNLP-LBPRGKRZSA-N 429.407 0.574 30 20 ICED Cn1ccc(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 795786958 RADLSAZLQZADEE-UHFFFAOYSA-N 445.501 0.301 30 20 ICED C#CCCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 806916254 QOCUWQOQTQLQQK-UHFFFAOYSA-N 435.502 0.210 30 20 ICED Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(-n3ncc(C#N)c3N)cc1)c(=O)n2C 919548302 VGHLFGHDHMYHTH-UHFFFAOYSA-N 448.443 0.320 30 20 ICED CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 920203001 AYDLBMPNBOPWSI-JWGURIENSA-N 437.522 0.423 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1151491191 WBVUGOGQXRTLJD-ORYQWCPZSA-N 437.562 0.979 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1314705491 IHFLXTOMXXIEEP-UHFFFAOYSA-N 440.504 0.939 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)no1 1318068086 DRVUQTISTQPPRV-QGZVFWFLSA-N 436.472 0.991 30 20 ICED O=C(NCCCCN1CCN(c2ncccn2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 1318407557 MLUJEWKGNNYPRM-VHEBQXMUSA-N 442.524 0.204 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359473825 IUFGTCGDHWKQOF-NVXWUHKLSA-N 433.538 0.845 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1492744392 NPGLDTXULOVCJJ-FQEVSTJZSA-N 447.565 0.819 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 1521102162 QIAGEWNGCIBCEK-VGOFRKELSA-N 440.504 0.972 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Br)CC2)CC1 1650617452 LBLKGGIXNMVHNM-UHFFFAOYSA-N 429.344 0.330 30 20 ICED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1695922925 YLIGUCYJDYOGMR-SCLBCKFNSA-N 441.533 0.637 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1726447127 WVHZNBSWSAIPBO-HNNXBMFYSA-N 437.504 0.766 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1730759919 NKRFPZLSKZQJFF-OAHLLOKOSA-N 426.543 0.608 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOC1=O 1761495753 YLXDWKHQKHUTGJ-KDOFPFPSSA-N 439.542 0.861 30 20 ICED Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1762597769 WXLYRGYPEBJYPT-OAQYLSRUSA-N 444.561 0.720 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777932885 CVNIGDJMXKJVBP-JHXRPTDYSA-N 425.493 0.645 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1779039602 LSKWUBAQGWEAKJ-OAQYLSRUSA-N 445.545 0.494 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020893 RXBKJELGSUKTMR-YCRPNKLZSA-N 444.492 0.575 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3[nH]nc4c(Cl)cccc34)C2)C1 1780943539 VAJRSKICFLSSHY-FQEVSTJZSA-N 430.848 0.677 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781739945 NBUGGOGPFRNWAA-XBHMSOGKSA-N 429.481 0.152 30 20 ICED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836279 VZXFANHZMOFDSP-AUSIDOKSSA-N 439.597 0.779 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782409442 ZTDDSTHKCBIPAT-HSZRJFAPSA-N 439.516 0.907 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782955225 YSHCAMWCIWQQGV-NQIIRXRSSA-N 431.514 0.508 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783452575 NGXNUXJDBXDCLN-SBUREZEXSA-N 447.532 0.723 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(=O)(=O)N4CCCC4)C[C@@H]32)C1 1783461282 IPQDQVUKZUQJRY-SZMVWBNQSA-N 425.551 0.358 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21 1783531207 HGXHEEIQDSPLMS-LSFZBXBFSA-N 440.338 0.752 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccnc1 1784257277 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ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799744782 DHEQIWFQKVQOAT-PFIYSYJPSA-N 426.448 0.759 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2)c1ccc(O)cc1 1801057159 JFGYDMNWLVILCR-DCXXXQMHSA-N 437.500 0.921 30 20 ICED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 1802097371 GZBHHYADDNWVQX-REPLKXPHSA-N 448.520 0.834 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCN3CCN(C)CC3)CC2)C1 1804853743 NWXQGGYXCPUBOP-WAYWQWQTSA-N 445.608 0.714 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810357101 OLRMYJHKUBOCCP-CZDLBNAVSA-N 443.504 0.895 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1810565180 NGTQBKZWVSLEDM-FHWLQOOXSA-N 427.505 0.932 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812643810 TXQPXZDSQCZXBA-UWVAXJGDSA-N 428.489 0.733 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 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CS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)nc1 1834000656 ZIKXGASHYUFQOC-UHFFFAOYSA-N 433.534 0.584 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)cc1 1834706070 ADEIOLGSXLOWFS-UHFFFAOYSA-N 437.548 0.583 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4sc5nccnc5c4N)C3)C2)CC1 1835343000 WIMJPELGMIRKPA-HXUWFJFHSA-N 442.501 0.647 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1C(F)(F)F 1835353642 AOPPKWAMYDVQST-KRWDZBQOSA-N 429.399 0.813 30 20 ICED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)no1 1835773138 BDZRPSGRROPRGJ-AWEZNQCLSA-N 437.566 0.603 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835880851 IYIWNMADHGICEL-HXUWFJFHSA-N 429.502 0.757 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988233 JJLINSSNTRFDPA-UWJYYQICSA-N 435.525 0.610 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCNC(=O)C4)CC3)CC2)c1 1836170615 IETUEINJGPPSDP-INIZCTEOSA-N 426.521 0.598 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526242 PMGFMPVADTYWQO-OAQYLSRUSA-N 425.445 0.149 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1836865259 YYOIHPVFNZYHIY-MAUKXSAKSA-N 425.526 0.639 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837333125 SEGIKVSMLIHMCS-KSSFIOAISA-N 428.580 0.726 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837533471 VXNQUBFASDHINZ-JVIUNVGKSA-N 441.550 0.867 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837559753 GQXFLNCAHOFJDJ-MHRHTVJOSA-N 427.461 0.188 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(-c5ccncc5)[nH]n4)CCO3)C2)CC1 1838011459 QFJQCKFOGGBCEI-QFIPXVFZSA-N 436.472 0.845 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1839176128 XMWIBFYREORXPK-PGRDOPGGSA-N 448.520 0.718 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205824 PUAAPLUFHYTMOV-WMLDXEAASA-N 429.311 0.409 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839349593 FWDKLNDWSDSMMI-OAQYLSRUSA-N 433.530 0.775 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 1839807823 GSCYPBSUMURHOS-IBGZPJMESA-N 447.289 0.800 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1839890215 NUHBAVDMYNMEAC-QGZVFWFLSA-N 434.509 0.138 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccoc3C(F)(F)F)C2)C1 1840042924 WPOLNPYWGJVMKW-QGZVFWFLSA-N 430.335 0.456 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840157816 BLSHFNDHIFMWMW-GCKMJXCFSA-N 439.578 0.552 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840536515 QGSSNPZXOMFBRE-LTSQEINCSA-N 425.482 0.008 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1840818828 ZMUOXXPHZVUHSK-OAQYLSRUSA-N 426.429 0.695 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC(N)=O)C1 1843340308 PZEBTZDOYSEPHD-GJZGRUSLSA-N 435.525 0.553 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)ccc3F)C2)CC1 1845485741 MQRDZOFFKHCAJR-UHFFFAOYSA-N 427.480 0.678 30 20 ICED C[C@@H](OC(=O)COc1ccccc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 15825505 FEQLGXACWBQPCP-CQSZACIVSA-N 431.470 0.875 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 29461164 CQKLBXIVPQSBAP-ZDUSSCGKSA-N 433.486 0.853 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C 435199839 BPBZRRSMKRUKOR-UHFFFAOYSA-N 445.541 0.818 30 20 ICED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1OC 435201591 NUMCDFQMVRUYFR-UHFFFAOYSA-N 445.566 0.851 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)n1 443137182 YMQHOKHXJOOXLJ-UHFFFAOYSA-N 440.432 0.647 30 20 ICED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443478883 WEXODTCVTJHGFQ-UHFFFAOYSA-N 446.323 0.817 30 20 ICED COc1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OCC(N)=O 465291811 XYEUYQSQSUOUHI-AWEZNQCLSA-N 439.476 0.641 30 20 ICED N#CCCCOc1cccnc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 466593056 LUTKVWYJMASCMM-UHFFFAOYSA-N 428.449 0.589 30 20 ICED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1cccc(C(F)(F)F)c1 469269456 VOVHHHDBIVKDFN-ZDUSSCGKSA-N 429.380 0.792 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)c1C#N 472266625 VAAXMWZKABUXTC-QZTJIDSGSA-N 426.521 0.690 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480789448 WNTIUQQNJUNWQN-HNNXBMFYSA-N 435.550 0.332 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccnc3-n3cccn3)C2=O)cc1 488650793 CEAOFACCUGIUBO-SFHVURJKSA-N 429.440 0.995 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 488987526 UDJPVZMGQHJAJM-AWEZNQCLSA-N 440.477 0.942 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 491152462 ZSBZIJWJPVMJKD-UHFFFAOYSA-N 436.534 0.872 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CC(C)C)CC1 497576488 KBHVKEXEUCELSL-UHFFFAOYSA-N 431.587 0.689 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 497792193 UBZNFYQZUWLZCD-PXNSSMCTSA-N 449.515 0.689 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(CC)S(=O)(=O)N(CC)C[C@H](C)C#N 499495132 WYBPKDAZVPRRGD-JKSUJKDBSA-N 436.604 0.351 30 20 ICED CS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 502908158 ZQLYFXHPKMRIJK-AWEZNQCLSA-N 433.490 0.574 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508121592 SVKSJAISMNQATG-GUYCJALGSA-N 430.490 0.270 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 508799714 BIQPSJKQSFVCGL-UHFFFAOYSA-N 426.525 0.933 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 530892869 OKVORLZRKVDKJJ-CYBMUJFWSA-N 446.554 0.534 30 20 ICED COc1ccc(CC(=O)N2CCSC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 537129918 OKUGQEZLGIANGA-HNNXBMFYSA-N 425.532 0.726 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 545148652 AHIFIOYOMSGQGH-INIZCTEOSA-N 440.460 0.783 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 564135598 UOCQXYIKMVTNCA-FQEVSTJZSA-N 446.511 0.828 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 584138076 RQGOEONBCHIOFR-KBPBESRZSA-N 448.501 0.002 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 589411006 SZYIUJMSBMLIND-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603795484 GSGUGAFJRGCOBZ-UHFFFAOYSA-N 442.497 0.836 30 20 ICED N#C[C@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN1Cc1ccccc1 609686452 JODCVXGZGGLHOX-VXKWHMMOSA-N 426.565 0.812 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 674482755 YCTYQPZZKWTLEW-ZSEKCTLFSA-N 442.476 0.769 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 726043263 MGNKOONNJAQOAD-GFCCVEGCSA-N 431.401 0.629 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 728530509 INQYGZOMSZLUDC-IBGZPJMESA-N 446.573 0.289 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(OCC)cc3)no2)CC1 728533186 CHAGDNYSZWEQSP-UHFFFAOYSA-N 425.489 0.962 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H](C)C(=O)N(C)CCC#N 729688657 SONQIHZQSFKNHQ-CQSZACIVSA-N 439.490 0.633 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732908531 NVGWHPAHPFNETC-NVXWUHKLSA-N 432.502 0.896 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H](C)CS(C)(=O)=O)C1=O 735224011 JYERNNKBDAMPHF-IINYFYTJSA-N 427.504 0.916 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 737251359 ICPVRGIMWWCNOB-UHFFFAOYSA-N 445.476 0.723 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1=O 758975520 SPFNPQFFJXORCU-INIZCTEOSA-N 438.488 0.034 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccn(C)c2)c1=O 763460096 FQPGRVKPVXPSGS-UHFFFAOYSA-N 438.484 0.862 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 766987999 GMAXLZLWDBIETO-BUXKBTBVSA-N 434.474 0.872 30 20 ICED COCCN(C(=O)COC(=O)C1(C#N)CC(C)C1)c1c(O)nc(=O)n(CC(C)C)c1N 767432279 WXHCPJHWQOKFSX-UHFFFAOYSA-N 435.481 0.650 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 768728003 PKTMHVZGDLAALK-UHFFFAOYSA-N 430.896 0.911 30 20 ICED CC1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 773665149 WYZXNGPTGOUQIY-UHFFFAOYSA-N 427.548 0.931 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785407422 RZKCMWQTUXGNHZ-GFCCVEGCSA-N 425.463 0.734 30 20 ICED CN(C(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(C#N)CCCCC1 789116467 DPOJYDBMRIEAAJ-LJQANCHMSA-N 434.493 0.830 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 794733920 HNYULQGQFYHPDV-GJZGRUSLSA-N 431.474 0.098 30 20 ICED COCCN(C(=O)COC(=O)c1cc(C#N)ccn1)c1c(O)nc(=O)n(CC(C)C)c1N 803849396 DZIBVRPLTDJKKU-UHFFFAOYSA-N 444.448 0.290 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 813984817 CBEJJSGWQUPCCK-CQSZACIVSA-N 440.437 0.847 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814065728 QJZHYKGXCVPJQP-UHFFFAOYSA-N 439.476 0.357 30 20 ICED O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCCN(O)C1=O 820476097 HMXCBYDKVSGKJM-AWEZNQCLSA-N 427.479 0.403 30 20 ICED COC(=O)CNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 857763509 HMCLTXJDFZAPTA-CYBMUJFWSA-N 437.474 0.180 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(SC)cc2)c1=O 916199477 HDXISTVDKKBJLU-UHFFFAOYSA-N 445.566 0.640 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 918803776 DOKRMGOHDCPOAO-ACWOFJMJSA-N 439.534 0.883 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1124652164 YELOLAXUYKRKCO-UHFFFAOYSA-N 444.517 0.601 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)s1 1256026501 SYQPKKCNZAIKOG-UHFFFAOYSA-N 427.552 0.771 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1288275100 MMAIUNAQUWHYOQ-KGLIPLIRSA-N 432.572 0.246 30 20 ICED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301953153 QSSDADKAHFMWJT-IRXDYDNUSA-N 432.573 0.955 30 20 ICED CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318475579 DKIUGRVTONVVCA-KRWDZBQOSA-N 426.477 0.044 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1503289728 DWGAFMXEMQRZHJ-HBIPHATFSA-N 437.547 0.846 30 20 ICED CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1541513993 LFXQJYWRQXMEFD-OAHLLOKOSA-N 431.584 0.991 30 20 ICED N#Cc1cn(CCC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1624281456 PGPBOYHFJVIZEY-QGZVFWFLSA-N 431.880 0.742 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1697024515 LWCYEIJXXDISNC-QGZVFWFLSA-N 443.533 0.819 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1741804264 YZFJGDWZUJYAHU-JKIFEVAISA-N 444.583 0.217 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)CN3CCOCC3)CC2)c1C#N 1742669302 LOPZTHUEPUOEMN-INIZCTEOSA-N 427.557 0.795 30 20 ICED CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1744349641 ZGUMZOSIFWPCDK-YLJYHZDGSA-N 431.518 0.786 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CCN2C1=O 1748053020 NLYJOMZRWDEOBD-KRWDZBQOSA-N 443.533 0.807 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1751303625 BWMIPLUBEMTBOA-SUMWQHHRSA-N 428.490 0.089 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1769171792 NEXJPIDMKKKAPE-NRFANRHFSA-N 435.492 0.868 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778782415 WKBTYGCPAUXTJZ-GSHUGGBRSA-N 437.537 0.916 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063400 XLZONYVPQQCNOJ-QHCPKHFHSA-N 440.500 0.323 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779177653 SCBCHBCIFDUHDW-MHECFPHRSA-N 447.495 0.477 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1779365841 RMMJJSDFVKDPHY-QEOZXUELSA-N 447.496 0.917 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1779423179 HPNDGIZCGVQYPQ-YVTMVBNISA-N 435.481 0.772 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=C)CC(=O)OCC)C1 1780738454 HPLXYEGOVWTKOJ-DRSNIGMVSA-N 435.521 0.700 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)ccc1F 1781298778 UVBXCXNGGVDIGO-OAQYLSRUSA-N 441.419 0.585 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783195772 GSIXQLWTFBFAPI-GOSISDBHSA-N 449.520 0.699 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783443779 HSBRZKXAXUVNDA-DVMWJLJYSA-N 426.517 0.995 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)c(O)c1)CCO2 1783563367 PPPIUOSDBXPOTB-SFHVURJKSA-N 437.246 0.686 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1784531873 QHLKWCGXBZJQTB-HCDMYHGNSA-N 442.607 0.723 30 20 ICED CN(C)c1cccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1785060577 NBSQJYQUQOFLGC-SNRMKQJTSA-N 429.473 0.199 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1785574753 RCIAISRWBVXNOX-VLIAUNLRSA-N 432.481 0.165 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1785578331 XDRYVTOOOGMMSP-PNLZDCPESA-N 435.521 0.769 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CCOC1 1786370402 WSDQZXHVHDUVBX-OSAWLIQMSA-N 436.509 0.564 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658101 LLHVAIMVQANZKJ-OXBUMVRDSA-N 449.552 0.777 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c1 1789295257 ACDPWIZXPVKUSY-YEWWUXTCSA-N 425.420 0.688 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)N1CCN(C)CC1 1789798662 XRZPGAPJQXELAZ-MQGJPIDWSA-N 439.560 0.787 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(O)C(F)(F)F)C[C@@H]21 1789890353 OXZNXWLZEOXSLY-WZTLGTBRSA-N 436.427 0.789 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3C(F)(F)F)C[C@@H]21 1791075672 KVABWAGZSRDVLE-WHOFXGATSA-N 425.363 0.782 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C[C@@H]21 1791076951 RHSQFIIMXHCIIN-DKKFBQAASA-N 425.441 0.572 30 20 ICED O=C(CCn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791522329 GIIPQOIGKHNUKU-BPBQNZBLSA-N 434.497 0.177 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794311901 UXLHNALPJBEVRL-SCAQPMJSSA-N 432.477 0.099 30 20 ICED COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1794581115 AYEBZYCLCMNKRC-CWPLJXCYSA-N 441.463 0.885 30 20 ICED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#Cc3ccccc3)c(C)n2n1 1795275947 LDTWRGLBYLOXJO-BBIADKPPSA-N 444.495 0.996 30 20 ICED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797836361 SGHKTOZATGTEEK-NFDRMNTRSA-N 439.472 0.955 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cncn2-c2ccncc2)C3)c1 1798693279 DVNDSSHYFKPVPF-CWPLJXCYSA-N 431.456 0.984 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)cc1 1799641714 FKEFUOMQYOZZQT-VTYHHJSWSA-N 426.517 0.678 30 20 ICED COc1ccc(OC)c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800775794 HGJPYTSZCRDDMK-MFKICJERSA-N 430.457 0.314 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)N1C[C@@H]2C[C@H]2C1 1801995688 KZZMAJHFHZNNDI-WOVRKRFXSA-N 438.528 0.867 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815023644 MMTSHOFJBSMQGS-IDTUSYRASA-N 430.465 0.712 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(C)(C)C#N)CC3)CC1 1818890578 VBFDPONWKQTOEH-AWEZNQCLSA-N 432.550 0.769 30 20 ICED COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830234262 PTEOVYKVNMJXQY-HSZRJFAPSA-N 428.485 0.944 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1831392089 JBEGERQLSACZOR-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831397199 PMZORLNAFUFWEQ-XOBRGWDASA-N 445.501 0.195 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831402790 RMOGRGIEFKHRSK-AOMKIAJQSA-N 434.464 0.426 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 1833349973 HMDUANLPCAWGTG-IBGZPJMESA-N 448.564 0.827 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c(O)n1 1833695919 JQEQPVUPIWABQG-QHCPKHFHSA-N 443.500 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC)n1)CCO2 1833761854 MMYNVUUQSILYNP-RHVSLNNASA-N 444.488 0.019 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834596141 AONFKLXVINZZLH-OAQYLSRUSA-N 434.445 0.219 30 20 ICED N#Cc1ccc(CCC(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)cc1 1834673930 FHMMWEKMXXXEIQ-UHFFFAOYSA-N 439.564 0.546 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ncccc34)CC2)CC1 1835037658 DJHYJWFPNVBRGE-KRWDZBQOSA-N 438.532 0.953 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835342316 QGXGWUPDMHUNDO-OAQYLSRUSA-N 428.445 0.242 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835672377 AWFXPKHRCBJEMM-NRFANRHFSA-N 432.525 0.080 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490365 AKQGZRLTSABSLV-JOCHJYFZSA-N 431.489 0.752 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490396 BVWNFHDCNRMRDO-YADARESESA-N 448.560 0.715 30 20 ICED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1837492883 YOZIUXPLMSZJAH-HSZRJFAPSA-N 434.533 0.568 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837531091 CGIYJECFKZYISP-MDAVEZEFSA-N 433.465 0.076 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837564273 FETSTJFWQRYTRO-WNBNNUDTSA-N 447.879 0.912 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)c1ccccc1 1837615976 RRUCHZIZWUWQIN-ZJSXRUAMSA-N 441.528 0.776 30 20 ICED O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)=NN1 1838379326 DZOGCXKSAJQCIV-LPYMAVHISA-N 429.477 0.573 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1Cl 1838595100 HVRNTDGQLUDYMP-YWZLYKJASA-N 448.863 0.390 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839887647 DHZFXYFWDKYKLC-SFHVURJKSA-N 428.436 0.710 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CCC5)C4)C3)(C1)C2 1840006868 VSKDZGBYRSWVNT-LZBANZJXSA-N 431.489 0.480 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840144778 LHQUSIZXKAJSKP-DNVFCKCGSA-N 432.517 0.836 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840167767 LYEMLEOBQPSIGU-OAQYLSRUSA-N 432.477 0.572 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840176347 CDXQCHGOLWBUCG-LEWJYISDSA-N 442.509 0.041 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840203842 XBHSMZSAZKAYMH-GOSISDBHSA-N 433.427 0.315 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817912 ALYNBLOTOZZYKR-OFNKIYASSA-N 445.516 0.800 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840900941 UREMVYHAMAIWGD-SBUREZEXSA-N 442.516 0.811 30 20 ICED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845981893 VUKLNECYWDACON-OWCLPIDISA-N 434.562 0.582 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1OC 19468098 HLIVIVAGVYKRFY-UHFFFAOYSA-N 439.490 0.868 30 20 ICED COc1ccc([C@H](C/N=C(/N)NCCCN2CCOCC2)N2CCOCC2)cc1OC 303781970 MUGGKHUAKSYVSQ-IBGZPJMESA-N 435.569 0.704 30 20 ICED CC(C)N1C(=O)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 434391938 WMVWXBXXWPZRQF-QGZVFWFLSA-N 432.502 0.611 30 20 ICED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 437250509 XVRLDVAXCBPFPC-UHFFFAOYSA-N 430.421 0.958 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1=O 440276759 WZWGTUWKFCQVIR-HXUWFJFHSA-N 443.548 0.497 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441937624 ANGFCLYHCHRBFN-ROUUACIJSA-N 439.537 0.745 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 446199448 DYYNVXYPLDHPAI-UHFFFAOYSA-N 439.476 0.683 30 20 ICED CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC1)C2 460690746 NCGFLATXYYDSIR-OALUTQOASA-N 448.531 0.847 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C)c2=O)cc1[N+](=O)[O-] 473444906 VLIDEWKPHOLMLU-UHFFFAOYSA-N 445.453 0.635 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 478851211 UOQINWPEHCHIFB-UHFFFAOYSA-N 443.529 0.422 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 480349100 MEWUTLPDIDFXFN-UHFFFAOYSA-N 442.563 0.813 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 484616949 HXFRBHLNADGTIC-UHFFFAOYSA-N 441.506 0.316 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 491187188 MSCWRBOVGGGUBZ-UHFFFAOYSA-N 441.410 0.422 30 20 ICED C=CCNC(=O)NC(=O)CN(C)c1cccc2c1CCCN2CC(=O)NC(=O)NCC=C 492699110 DZCVAUUMJBFADO-UHFFFAOYSA-N 442.520 0.899 30 20 ICED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 499999805 WCJRWWODRZDUTE-PBHICJAKSA-N 438.550 0.991 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CS(C)(=O)=O)nnc12 500503649 MMWORGBMQLWLHT-GFCCVEGCSA-N 435.531 0.872 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505663327 NPUCVMONVXPBHF-UHFFFAOYSA-N 445.545 0.180 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC)C1 508944519 FJSGHZRERUABDD-OAHLLOKOSA-N 433.538 0.889 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515923773 DMLOJPLGYCBAFS-UHFFFAOYSA-N 445.566 0.919 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 527280016 COIFPXVPVQSURP-LBPRGKRZSA-N 433.436 0.172 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)n(CCC#N)n1 533454172 IEEINKJVYKRRTR-UHFFFAOYSA-N 438.535 0.817 30 20 ICED CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 534785822 MBLFDKVXWKGPSQ-YJBOKZPZSA-N 437.566 0.434 30 20 ICED Cn1c(=O)c2cc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)n(C)c2n(C)c1=O 535073276 QHDXPGSVYAIPJI-UHFFFAOYSA-N 436.472 0.962 30 20 ICED COC(=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 539381286 QJCIDTVIOHOQNJ-YJBOKZPZSA-N 441.488 0.859 30 20 ICED N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 553599662 KEUPZAOCKSQNRB-UHFFFAOYSA-N 427.442 0.431 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 555240493 KSCNLVHPSNCRAX-QGZVFWFLSA-N 435.554 0.886 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1-n1cnnn1 555547812 UWTYEJVHFWKVNP-GOSISDBHSA-N 444.455 0.698 30 20 ICED COc1ccccc1OCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555653532 PNFPIRNKQWXQGA-GOSISDBHSA-N 436.468 0.979 30 20 ICED CCC(CC)[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 555900787 NAOFLMZCBOXHAO-FQEVSTJZSA-N 442.564 0.855 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 557445754 CYOAJFNXSLYXDC-FPOVZHCZSA-N 425.533 0.966 30 20 ICED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 568909206 VBTCNOXUICFSJJ-RBUKOAKNSA-N 425.489 0.150 30 20 ICED Cc1c(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cccc1S(=O)(=O)NC1CC1 573851651 TWDBOMIKAXJIQM-UHFFFAOYSA-N 430.490 1.432 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)C2=O)cc1 574073120 GXSIZBKLHXOKKE-NPPFBWRTSA-N 442.541 0.946 30 20 ICED CCN(CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587659666 WOXZXFDEQGXLDZ-HXUWFJFHSA-N 442.564 0.998 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C(=O)NC3CCN(CC#N)CC3)C2)c1 588124844 MDZAZJHESQWUNT-INIZCTEOSA-N 429.521 0.750 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 590910059 RQASIWYUBCLJNX-UHFFFAOYSA-N 431.489 0.829 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)o1 590998894 SRZDDJYVDWTVAE-UHFFFAOYSA-N 428.514 0.098 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)N3CCSCC3)CC2)nc1 609335617 SHCKBNWXABOBFG-UHFFFAOYSA-N 438.579 0.600 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 674997441 ODYXDUGMRYERDH-MSOLQXFVSA-N 437.518 0.838 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 676748829 SEHCBEXWUKNKOJ-QGZVFWFLSA-N 434.518 0.589 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(=O)N(C)C)c2=O)n1 682877122 UWAUCBGJISPJLE-UHFFFAOYSA-N 440.525 0.664 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O 726042431 CBLKGNITIXSCGS-NVXWUHKLSA-N 442.472 0.286 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 727010243 RXJATVPTAZYIMZ-UHFFFAOYSA-N 425.397 0.755 30 20 ICED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(=O)N(C)C)c1C 727814570 XMWOXCCVAFIQNZ-UHFFFAOYSA-N 449.536 0.734 30 20 ICED Cc1noc(C)c1S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744005043 MCVNVAJBZFXNPI-SECBINFHSA-N 426.476 0.614 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745388480 VSLJPQVUSOGLPT-VFNWGFHPSA-N 428.445 0.514 30 20 ICED Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 754379652 MXYQNMOBFVIREJ-ZDUSSCGKSA-N 442.476 0.526 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 754907370 YXQOBTGVZHOJJJ-OAHLLOKOSA-N 425.894 0.700 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 758068284 NNAGITIZNKXOBE-UHFFFAOYSA-N 447.463 0.453 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758644994 OBCJNBGSYSMQLV-QLFBSQMISA-N 430.527 0.855 30 20 ICED C[C@@H]1CC(=O)CC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 760568104 RAXZZUSDYPWOBN-CRAIPNDOSA-N 447.513 0.940 30 20 ICED N#CCSCC(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764752563 TZLOVWQTIQDGDK-UHFFFAOYSA-N 427.504 0.237 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 783480550 KFADWCHQXXWHMT-LPHOPBHVSA-N 433.530 0.667 30 20 ICED CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 783981162 ATZQNGSMKDORSZ-PYCFMQQDSA-N 435.550 0.992 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 784833948 VDLWLEAGDMBBQS-QGZVFWFLSA-N 446.533 0.952 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCCNc2ncccc2C#N)cc1 787757700 VYSQTOMFPLLQIL-UHFFFAOYSA-N 444.517 0.227 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 789379368 ORQBAMLQANZHNW-UHFFFAOYSA-N 438.554 0.784 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cn1C 791977403 LNKRYOIIVVVDGU-MRXNPFEDSA-N 432.506 0.876 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)C1=O 811113186 GCSPHGKLVRNCJT-UHFFFAOYSA-N 441.396 0.150 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 815861270 ZKTSGIKPOLVNPQ-UHFFFAOYSA-N 427.549 0.403 30 20 ICED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 816757735 ZYPBXXKIXRLLAJ-GXTWGEPZSA-N 431.898 0.907 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 828095343 NTFAUXBUDZJKKR-JSGCOSHPSA-N 436.490 0.767 30 20 ICED C[C@H](NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)N1CCS(=O)(=O)CC1 1136613097 ISSCUHJJLAFHQE-HNNXBMFYSA-N 441.513 0.941 30 20 ICED COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1316101477 JNHQXDDZJIPVNJ-UHFFFAOYSA-N 430.513 0.365 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1510065245 SXWQCEMRWBPPQU-JKIFEVAISA-N 429.522 0.003 30 20 ICED CN1CCO[C@@H]([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1564482831 LLWQAUDWMVAYHA-IAGOWNOFSA-N 446.895 0.845 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1587854589 YBRYPDRGIATSOD-BDJLRTHQSA-N 432.424 0.895 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCCn2cccn2)C1 1620170736 KOBNHVVUVHAVFD-QGZVFWFLSA-N 448.553 0.638 30 20 ICED N#Cc1sccc1N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 1643811542 QXNXITAJTHBYSL-UHFFFAOYSA-N 431.543 0.978 30 20 ICED CC1(C)CN(C2(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)CCCCC2)CCO1 1678897896 NVTRWFMEZRWCEO-UHFFFAOYSA-N 432.525 0.933 30 20 ICED CC(C)CN1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1723476561 YEHIULJWPYLIEC-MSOLQXFVSA-N 431.541 0.486 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1724012383 WPQLWWHMVDFZAB-PXAZEXFGSA-N 430.481 0.692 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1747974619 YZIHEVOUQWCSRH-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1763298048 YUYJFYMFQOVTLX-QGZVFWFLSA-N 445.549 0.861 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1767515981 SPAFGDGHXHDOBD-KKSFZXQISA-N 425.493 0.107 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380111 JNENQQFNEJHKSU-HTAPYJJXSA-N 445.520 0.033 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834279 LDPKSWGZLFRQNU-XBKFQHLESA-N 438.484 0.602 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1779101619 RYIMMWLLLGBZRX-AAFRALBZSA-N 437.472 0.840 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104196 CLROPMRPPGLDSY-YHAFYQSGSA-N 433.509 0.928 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4=O)CCO3)c1 1780335504 WNHOALOTSFLORK-QFIPXVFZSA-N 433.424 0.778 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1781696478 BLVDABOZMXEOLD-VQDLLJBESA-N 449.548 0.894 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1783557368 LASCNJZJOZJQJX-YKSBVNFPSA-N 439.512 0.817 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1784483437 XYQOEFGJLLOXAE-STEXWYFWSA-N 442.516 0.218 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)O 1785612111 ZZNPYHAGTDVYFO-IERDGZPVSA-N 438.525 0.784 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643567 NNCWRYQBMJYMSE-MGBSGCIJSA-N 432.477 0.341 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(O)nn5)[C@H]4C3)c2c1 1785846655 XSNGLDVHRAIRMV-YEWWUXTCSA-N 447.455 0.837 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nc1 1786858500 XKIVXDZMTFABNY-IEZWGBDMSA-N 429.521 0.965 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513728 TUSTYPAUPLDKOT-ADLAUBGYSA-N 433.530 0.991 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc5ncnn5c4)[C@H]3C2)c1 1789716402 VTZQYPNIBFNJKM-LNLFQRSKSA-N 433.472 0.765 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](N)c3cccnc3)C[C@@H]21 1789890524 QQMZNNPMDFDZSR-HAGHYFMRSA-N 444.532 0.961 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793168521 QAJQJNXCXNYQRG-QKPAOTATSA-N 441.525 0.664 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnnn2C)C3)c(O)n1 1794488726 OGHHBLCQPYLSKR-ZSBFGKGUSA-N 426.477 0.551 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2)C(=O)O 1795645001 UIIFCAANQFZQIY-HKAGCZBPSA-N 428.489 0.580 30 20 ICED CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796135640 ZLFUMPNPQXXDOI-UEIBBUKUSA-N 433.509 0.944 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2 1797744444 ONRPAXDTCYWTTI-KZEIKDLUSA-N 427.343 0.975 30 20 ICED N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)c1cccnc1 1797811865 ZFJGTOFCHSYMDH-SBEZBGNBSA-N 445.520 0.590 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797925039 VRDIKTNPWBJMDL-XCRNZQRYSA-N 426.517 0.995 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885531 KOYDYPOXXKEXIE-IFPVYIJKSA-N 436.472 0.678 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1801994507 NTDGGBKPUPUIRF-WGVRVLLMSA-N 426.473 0.053 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804341203 IHCVFPDTJBUGSG-SRABZTEZSA-N 433.534 0.640 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1808241039 IMKVUUFLXWLZRJ-ZRCGQRJVSA-N 432.480 0.890 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1810337892 PFDNBDFLYVTZIW-GBESFXJTSA-N 442.472 0.886 30 20 ICED NC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810365262 VJNSHOVPTWTVPT-FYFWFVIUSA-N 432.481 0.285 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)c1 1811409988 ZLARBCYYXGJMRT-JXFKEZNVSA-N 436.472 0.950 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899769 GDDJKKKRERXOQB-WORIPGKHSA-N 446.552 0.630 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399851 SIIONKHEUSNYEA-WMLDXEAASA-N 443.508 0.637 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630076 QFTGBWFLGADJEB-QFIPXVFZSA-N 438.488 0.390 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1829762605 MBSVESJUYIIHDL-YTWXUOMVSA-N 435.521 0.260 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)cc1 1831013336 PTBYHBMMOZWWPP-JOCHJYFZSA-N 442.472 0.009 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1831397466 YVRVMWKQYZLIHQ-OYHNWAKOSA-N 444.463 0.810 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1831401735 DOWYNAYSWQXOBE-GAJHUEQPSA-N 448.491 0.872 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1831419258 LSPOOIQKDRVZGG-HRAATJIYSA-N 436.509 0.783 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831425281 BRDBSOIZPLUXIZ-CPXNXAAISA-N 439.509 0.563 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831497341 BZSHNUWSFWYWBR-QKLQHJQFSA-N 429.583 0.702 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)n2cnnn2)CC1 1832283207 CGXOOBGIUNXSGK-MHDVBENUSA-N 429.525 0.712 30 20 ICED COC(OC)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1833389492 KJSSLSAETFFHTQ-OMNSNBSWSA-N 440.541 0.706 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](S)C(C)C)CC2)CC1 1833492142 XJSYVOUUQSSLBL-RBUKOAKNSA-N 442.626 0.664 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncn2C)CCO3)c1 1834327967 XFKOUBJJLLWBPA-QFIPXVFZSA-N 439.472 0.684 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1834528195 IVIMUAQVMGIPKU-FQEVSTJZSA-N 426.433 0.069 30 20 ICED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834654025 IBFNZKFQCCGCOQ-FSJBWODESA-N 434.566 0.897 30 20 ICED N#Cc1cccc(CCC(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834675762 WEEMBLHPEKSDIT-UHFFFAOYSA-N 439.564 0.546 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1834834119 WKNMYCQLXFIVNI-DFWCCGOPSA-N 441.528 0.934 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)cc5nn[nH]c45)C3)C2)CC1 1835345384 LHMVFFMYNBBJQM-FQEVSTJZSA-N 444.879 0.985 30 20 ICED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835892093 WYVFIYQLRCJAEO-QHCPKHFHSA-N 444.532 0.782 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1Cl 1836479948 SPNFWYSWIBBNBW-LAUBAEHRSA-N 430.892 0.810 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593893 HSGQOBOLSHHGNL-OPAMFIHVSA-N 447.557 0.807 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837308900 DAMQAFJXXPBUAG-HRAATJIYSA-N 432.525 0.544 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)CCC1 1837321736 UVKYDGBGEQGIOO-QGZVFWFLSA-N 433.383 0.242 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837531457 NCBKWEBONZJXFP-MBIGCVILSA-N 447.488 0.991 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C1(O)CCC1 1837559869 BYYQPNHVHKOFIM-QDUSALGBSA-N 433.505 0.706 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1837662006 YVORYGYYXGSWQU-BTYIYWSLSA-N 436.509 0.033 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838009155 HXBAYMMRBUZNAR-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CCCN1 1839119409 DBKGKEAXNFKOLL-PKTZIBPZSA-N 426.517 0.699 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205986 XQRLGNDITPVYLB-WMLDXEAASA-N 431.327 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1839222662 VVMHCMXVNSXKAL-QKLQHJQFSA-N 425.526 0.795 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1Cl 1839237049 SUWYTQASHPWYFA-FQEVSTJZSA-N 444.879 0.573 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1839451253 ILVDKHRYEOJKHQ-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1839809790 LUVDVGYMEJOKDE-QFIPXVFZSA-N 426.473 0.612 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839880541 TWUKVWUGASQPLH-AOMKIAJQSA-N 428.489 0.347 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840176348 CDXQCHGOLWBUCG-NHCUHLMSSA-N 442.509 0.041 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840232331 UQZKYKNMDUBFLW-AUSIDOKSSA-N 440.500 0.349 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781962 VYZKZIYHNPUCDF-ZHRRBRCNSA-N 434.464 0.426 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(O)cc1 1848128690 CKJGWWVJKOHWRR-WNHJNPCNSA-N 438.484 0.689 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)c(F)c1 116603535 VHKRYAOHPOTHJG-UHFFFAOYSA-N 425.464 1.000 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)n(C)c2=O)cc1 427885172 KXLMFEUWGVKEAC-UHFFFAOYSA-N 432.502 0.755 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2nc3ccc(F)cc3s2)c1=O 432726852 DYJQWUKNVXVIJK-LBPRGKRZSA-N 444.513 0.994 30 20 ICED CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C(=O)Nc1ccn(CCC#N)n1 439360652 RSRPEDMFXBXEJN-UHFFFAOYSA-N 434.254 0.990 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC(Oc3ccc(C#N)cc3)C1)CC2 442253351 VNGWILPRXUFGAB-UHFFFAOYSA-N 440.481 0.645 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCSC 443672416 FQIRJGSNJAHKNE-UHFFFAOYSA-N 434.568 0.472 30 20 ICED Cc1oc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 446468719 OGRLNUJBZUEYCA-UHFFFAOYSA-N 438.487 0.254 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CO1 462447026 UKRBUZGUZPKPIP-HUUCEWRRSA-N 428.536 0.219 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2c(nnn2CCOC)C1 476898726 RODPRFCMPWJOHD-UHFFFAOYSA-N 428.449 0.345 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1 479383027 UTGKHMHXHBCCRS-UHFFFAOYSA-N 436.493 0.568 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487141886 ZZUOSVOGPGOKEW-SFHVURJKSA-N 440.504 0.038 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1 505153365 SUQUMTSBJBWQFP-QGZVFWFLSA-N 441.469 0.456 30 20 ICED COCC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 505990494 OEGVTOSTMIPHLP-UHFFFAOYSA-N 449.533 0.212 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CN(C)S(C)(=O)=O)C3)CC2)o1 511105149 IJKPHKXNWPNECF-INIZCTEOSA-N 438.554 0.107 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521251793 MOXWVIQAIVMLLE-UHFFFAOYSA-N 432.458 0.112 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 526137851 JHOFGSSJDGANCW-UHFFFAOYSA-N 427.486 0.883 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 531081062 HUIKIUGZEAMZKO-UHFFFAOYSA-N 426.498 0.960 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1Cc1ccon1 531938615 CGNUGGFEYGLOOO-UHFFFAOYSA-N 430.873 0.857 30 20 ICED N#Cc1ccc(CN2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)cc1 532916286 XKRJHIQMHVPWFT-UHFFFAOYSA-N 439.541 0.913 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 542438783 CDUJIVHPSVVWLH-DNVCBOLYSA-N 441.513 0.927 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 558167289 ZDXADCBQXZPFQL-UHFFFAOYSA-N 447.502 0.213 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2cccnn2)CC1 562904432 DQRVKEKWJPUWJY-MRXNPFEDSA-N 448.553 0.304 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 569133612 SFJYMDOGZPAKDF-GOSISDBHSA-N 437.504 0.639 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 579338861 HXCZROYNNXYDTQ-UHFFFAOYSA-N 448.526 0.724 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 581761292 GFMNWGSZEAMENW-OKILXGFUSA-N 440.508 0.902 30 20 ICED N#Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)nc1NC[C@H]1CCCS(=O)(=O)C1 588841438 KIDVXTMAZSLCJG-HUUCEWRRSA-N 426.564 1.427 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 609002728 GJUPYWBBBVBDQC-UHFFFAOYSA-N 449.439 0.922 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 609421571 OKTWEWTWPHMAET-UHFFFAOYSA-N 427.505 0.910 30 20 ICED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccccc1Br 610428958 BLJTWXYNXHXBRZ-NSHDSACASA-N 441.263 0.800 30 20 ICED N#Cc1ccc(SCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 728675276 AFEDIRWFAJXYBD-INIZCTEOSA-N 437.543 0.525 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCc1cccnc1 732565149 YHLILXBYDMAPAR-UHFFFAOYSA-N 436.541 0.793 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccccc1 743725244 KEQQKIORVZVLEV-UHFFFAOYSA-N 437.525 0.771 30 20 ICED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 748225296 DPPQZXTXXGTNGA-UHFFFAOYSA-N 427.442 0.448 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 750957454 COWRXYVORMMONT-INIZCTEOSA-N 432.477 0.884 30 20 ICED C[C@](O)(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 756314295 VTVWPHVKIPLPBD-FQEVSTJZSA-N 435.502 0.485 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758768196 HYVYNYFPYQVPKG-YESZJQIVSA-N 436.557 0.987 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CC(C)C 766050854 DOXRVACFYZOSJI-UHFFFAOYSA-N 431.430 0.631 30 20 ICED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)Nc3cc(C)n(CCC#N)n3)n12 768054499 VNEHFNABHNJLQP-UHFFFAOYSA-N 429.514 0.954 30 20 ICED COc1ccc(Br)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888221 AHRQXUVBCKRXAJ-UHFFFAOYSA-N 431.268 0.168 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1)[C@H]1CCCO1 773800186 UDGXLSMPQKIPEU-OAUYIBNBSA-N 433.436 0.743 30 20 ICED COc1ccc(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1C#N 775110490 ZKZWPAJTSHBWDQ-UHFFFAOYSA-N 427.461 0.554 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 780031429 LHCFMNUKROPOKZ-QGZVFWFLSA-N 437.481 0.909 30 20 ICED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784415889 QSDVCYOOLGLWBE-CSUZIONRSA-N 449.533 0.421 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800635754 WTPZHLDCQUHZCJ-HNNXBMFYSA-N 427.505 0.696 30 20 ICED CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)c3ccc(C#N)o3)cc2)CC1 805005086 JBSFVQNSEKMLQX-UHFFFAOYSA-N 439.471 0.636 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@@H]1CCCO1 809313565 TXABGKGKLCSWEZ-PMACEKPBSA-N 427.501 0.596 30 20 ICED Cc1c(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cnn1C 813951925 ULVQUYOCHYNUQZ-JTQLQIEISA-N 425.492 0.051 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 813980190 VEYWEKDLLKPWEC-UHFFFAOYSA-N 442.500 0.154 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOCC 814250057 GFEVICHUAMTYNI-UHFFFAOYSA-N 437.472 0.213 30 20 ICED C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 816671384 WHQHSDOUFGJQGL-MRXNPFEDSA-N 441.937 0.454 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1)c1cc[nH]n1 818132437 QTMJMIDLZFWLIK-KRWDZBQOSA-N 427.461 0.653 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1292122850 YTTYUMIAWPDCLO-YBOAYWMSSA-N 445.568 0.913 30 20 ICED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1315046848 MXGRETJFODRQBR-KRWDZBQOSA-N 425.493 0.890 30 20 ICED CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)N[C@@H]1C 1318156855 LTHHJKAIUWFNBU-TZMCWYRMSA-N 426.429 0.973 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502344212 ZJSDAENLDSDHAA-BZSNNMDCSA-N 430.557 0.232 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC(=O)N1C 1544754022 BKQSWBOTVWLQHO-CQSZACIVSA-N 433.476 0.637 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1712711325 JKQUJOBKYPTLJV-SJORKVTESA-N 443.533 0.613 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1767794169 VCCTXLDWSQPMET-UHFFFAOYSA-N 425.493 0.684 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1777983920 QUZMEEIJUUYWPJ-WHSLLNHNSA-N 436.557 0.229 30 20 ICED N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779016894 SWTXPERFVGRUJX-DBHDJAKDSA-N 428.537 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779059775 VUVVQTPUDMUWKT-KKSFZXQISA-N 431.493 0.616 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781099142 PFBNKWAJPXJRAY-JPYJTQIMSA-N 425.533 0.638 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781172602 DFCXTIMJECNTQW-DYESRHJHSA-N 445.428 0.824 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3nc[nH]n3)C4)c2c1 1781204735 MDRJMHFTMYVAHM-IIBYNOLFSA-N 434.460 0.994 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)C(=O)O 1781298518 KAHJXGZBUYTFBX-LAUBAEHRSA-N 432.452 0.132 30 20 ICED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)CCO2 1783146908 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CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226306 YKNPLSVWZNRMNP-CJCBUOBESA-N 448.451 0.355 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)n1ccnn1 1790329897 YGQOZEAMCHFPBI-UJNZZBMASA-N 448.487 0.881 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1792833954 ULVQUUIQPHQEMN-FEJSZKPUSA-N 436.468 0.005 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1792835595 YPWKWPPRJQBQIE-OPOADAIRSA-N 429.904 0.807 30 20 ICED CC(=O)c1ccc(OCCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1793097446 TWEADTKXHIANPC-FEJSZKPUSA-N 442.468 0.726 30 20 ICED COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CC2)ncn1 1793131984 JLWMUOFAPHOZFH-CWPLJXCYSA-N 428.493 0.205 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c1=O 1793549535 NEMQRURQLJWLNC-CCWDJLKJSA-N 446.467 0.650 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728413 MJBDNNAAOHAWSV-WISYIIOYSA-N 426.363 0.522 30 20 ICED 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)CC1)C2 1796335092 DUSHBRHWBPTCAC-YVSFHVDLSA-N 448.520 0.516 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc2ncnn2c1 1797559964 MQVAVQFOUBNPNN-YUEZQPDVSA-N 442.476 0.462 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297882 APYJEKDXSNDPCH-DTVVZGISSA-N 437.540 0.625 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCNC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1804461121 CINOZRRKMTVESS-HRAATJIYSA-N 437.456 0.324 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)COCCOC)[C@H]1c1cccnc1 1806750539 IUWYHUGOZHQGPS-YTWXUOMVSA-N 430.505 0.609 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806869852 PXRSTWFVNPXYHH-YFVAEKQCSA-N 437.504 0.862 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808869482 SGCRCDHBIQHOIL-YFVAEKQCSA-N 449.552 0.175 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1820970409 GQGMDOJSCLSEMJ-IDHHARJASA-N 436.513 0.853 30 20 ICED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029102 MUVIEYNRFJPAAO-OAHLLOKOSA-N 429.468 0.900 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)N(C)C)CC2 1822918395 LPNRDHOOFSXTNC-GFCCVEGCSA-N 437.522 0.836 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824505995 TVEAGXKLYWVRMA-NVXWUHKLSA-N 431.470 0.922 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nn[nH]c1C(F)(F)F)CC2 1825669983 XZKDSPDMSRGKAE-ZCFIWIBFSA-N 428.352 0.594 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318918 WJNYJVQNBSJTPZ-SMDDNHRTSA-N 432.502 0.553 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630090 QPPRCOXNZIDUBR-QHCPKHFHSA-N 437.500 0.995 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1830050484 LSYISVVBXDGPAC-OAQYLSRUSA-N 449.529 0.710 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458530 SIUXHQSRKJXXMS-HSZRJFAPSA-N 437.500 0.995 30 20 ICED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1830526432 VESCYLCOVZKAKJ-SIKLNZKXSA-N 431.489 0.337 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1831404118 JONSMBVXHKHAJH-JOCHJYFZSA-N 434.537 0.710 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831427975 WOTNNSVVEJNFND-IERDGZPVSA-N 429.477 0.390 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2)C(C)(C)C 1831481962 BZVWDNKGYKOLIO-LZJOCLMNSA-N 443.610 0.948 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359901 LNRJGPAJJTYUIQ-QYWGDWMGSA-N 439.578 0.552 30 20 ICED CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1832788768 GGZBHIKKTYHBLT-NRFANRHFSA-N 442.476 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)CC1 1833075509 UQAWPFBVTLUYQU-IYZQMXKPSA-N 431.581 0.559 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1833077172 RZHMVYDDFIAQQH-ARJAWSKDSA-N 443.552 0.098 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(C(C)C)n1)CCO2 1833338930 BKDVBYKPKJISQN-LXHZQTKUSA-N 446.504 0.726 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100391 QLKHAJZKFFMXII-SMSORMJASA-N 432.542 0.653 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)N1 1835114889 SQVKEBVSRNIZBZ-AVRDEDQJSA-N 445.903 0.427 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CCc4nc(N)n[nH]4)CC3)CC2)c1 1835666487 JCNBJYDIXMHFPG-UHFFFAOYSA-N 439.524 0.405 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1835672927 ODMZEVHZWQSWQJ-OAQYLSRUSA-N 431.493 0.139 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835778125 WPSKVODRECRKDP-IXOWOOARSA-N 429.521 0.549 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1836661729 JZYCZXAKEVTJTF-QHCPKHFHSA-N 440.500 0.948 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn5nccc5c4)CCO3)C2)c1 1837160877 CBNDSEYVOMGLJY-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297273 RHMPKBDOZXFPRR-GOTSBHOMSA-N 441.484 0.981 30 20 ICED Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1C 1837440570 NHFXFJYJMSSTLS-MHRHTVJOSA-N 433.509 0.833 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441036 NWSKGBUJMRGSDP-HLQTZPMBSA-N 446.508 0.027 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1837488800 SAOHAKDLRAHYOW-QHCPKHFHSA-N 444.532 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837528401 JEYOVDWCLISGSG-IFPAPICYSA-N 437.493 0.665 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)CC1 1837792155 CRARTYFMHSKLFT-UHFFFAOYSA-N 426.477 0.491 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838737848 AXPRNUIUNRTAOS-FQEVSTJZSA-N 426.433 0.069 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839072748 DUYMVXXJQMJMTL-QFIPXVFZSA-N 435.521 0.769 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)ccc1F 1839188145 MZWISCIIBWJDBS-JOCHJYFZSA-N 441.463 0.662 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839224685 NOLDGLLQFRADEI-KKSFZXQISA-N 444.492 0.600 30 20 ICED C[C@H](Sc1cccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042162 FMULVHGKBAUOOS-IFXJQAMLSA-N 438.527 0.773 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1840157695 XWVVUPWXMFNIHM-AUTIWKQNSA-N 425.463 0.976 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840158185 IKKUWBXSVOBJBG-BTYIYWSLSA-N 449.529 0.759 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164011 WDMLJIULUJXTFJ-ZZVZOJOMSA-N 437.518 0.531 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840180816 XUXDYBDCXGLEIL-VOQZNFBZSA-N 438.521 0.827 30 20 ICED C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1(F)F 1840826893 BPXWZDLGOQROOG-JLWZXNKTSA-N 428.480 0.960 30 20 ICED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841230938 FCYNXDTTZWSLSH-MMEWPQADSA-N 426.539 0.765 30 20 ICED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)cc1 1843129389 NLGUQUJIBRTWHS-UHFFFAOYSA-N 439.497 0.769 30 20 ICED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)cc21 1843998938 JNGPFXCPNZNCEL-KCDOPAPYSA-N 444.492 0.363 30 20 ICED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 28746647 IBOSOZQFHDHVCH-FQEVSTJZSA-N 441.469 0.991 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 409529799 NDWNOYDAMFXSSA-UHFFFAOYSA-N 437.566 0.966 30 20 ICED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 429888122 RPGFXVLLBIFZBI-LBPRGKRZSA-N 435.893 1.371 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1=O 440275331 ZYNYENUVLCKXCX-SFHVURJKSA-N 427.505 0.258 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1=O 441955539 IYOICHRDFAYVPF-LBPRGKRZSA-N 425.850 0.604 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)ccc1OC(F)(F)F 443346911 NNGXBXDREVAAIS-BTDLBPIBSA-N 439.350 0.890 30 20 ICED C[C@H](Nc1ccn(CCC#N)n1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 444414592 XXHDKKIKDSVSIM-HNNXBMFYSA-N 432.506 1.257 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 484620013 RSVKWGGIQZVWLX-UHFFFAOYSA-N 425.507 0.530 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC3(CCOCC3)C2)CC1 487141155 VBZRJOZSTOSKBH-UHFFFAOYSA-N 448.545 0.273 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccnc3ccnn23)CC1 488286047 GODNBLNTJAVROZ-UHFFFAOYSA-N 425.474 0.817 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 489122332 MOYARILTIKDFSC-UHFFFAOYSA-N 430.505 0.020 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 502898744 JOZDQBZUWOVJGR-INIZCTEOSA-N 425.470 0.977 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC[C@@H]1Cc2ccccc2O1 506942288 GWJWYNWCVGLHOA-HNNXBMFYSA-N 440.485 0.815 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3sccc3C#N)CC2)CC1 517165775 CPJPBAINKNPDAK-UHFFFAOYSA-N 432.550 0.255 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 531938526 GEYKWDSJDYNAJY-UHFFFAOYSA-N 440.506 0.607 30 20 ICED C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 537513896 RUHLXLSEQATMLM-UHFFFAOYSA-N 425.511 0.197 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 537837136 WFIRRVMNEIZOHW-UHFFFAOYSA-N 436.534 0.178 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(N4CCN(CC)CC4)nc3)no2)C1=O 546394845 OOHKZXOTQNJRLK-UHFFFAOYSA-N 425.449 0.750 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)nc1 550751717 NSQSDDCOGQYWDW-OAQYLSRUSA-N 448.527 0.792 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 553840636 XUVQOXIQPFPMGL-RFAUZJTJSA-N 427.280 0.977 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCCOC)n2)cc1 555306674 AIASEWFISPMBNP-UHFFFAOYSA-N 435.506 1.303 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 555859242 BPUPLOPCTVJVME-IAGOWNOFSA-N 442.559 0.959 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@H]2c2ncnn2Cc2ccccc2)n1 556543423 VJOXIKAEHDIURD-SFHVURJKSA-N 448.487 1.514 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 557591666 FQQLYZDNDWJGRU-HOTGVXAUSA-N 442.563 0.635 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)N3CCCCCC3)CC2)c1C#N 560921535 ZFKGLJBIGLUHKC-UHFFFAOYSA-N 429.525 0.158 30 20 ICED C[C@H](C(=O)NCCCNS(=O)(=O)c1ccccc1Br)n1cnc(C#N)n1 561321271 WNUFDZZLGJKFSX-LLVKDONJSA-N 441.311 0.958 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 564135604 UOCQXYIKMVTNCA-HXUWFJFHSA-N 446.511 0.828 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 588832492 MTIHYZCZZVGDFC-ZDUSSCGKSA-N 429.520 0.645 30 20 ICED CCCn1c(Cn2cncc(C#N)c2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 589257960 GWEKMKWRKYSBMN-UHFFFAOYSA-N 442.501 0.944 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)ccc1Br 590222942 MSEZLWMUTKAJLZ-UHFFFAOYSA-N 429.296 0.801 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 590998787 WVIGEFUSZQDJSV-UHFFFAOYSA-N 426.454 0.515 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 611544815 MOKOKDSAROQPED-CTNGQTDRSA-N 440.548 0.759 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCC[C@](C)(C#N)C2)c(O)nc1=O 612365473 WQBSUQBOHOREON-OAQYLSRUSA-N 448.524 0.853 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1=O 726042454 IYYPOBJNVPDOBC-NSHDSACASA-N 446.416 0.501 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)s1 726577352 OWQRLLNJPRTGRV-UHFFFAOYSA-N 443.535 0.397 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 729256880 LDASXERCIYXKFD-SFHVURJKSA-N 426.517 0.640 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC2CC2)cn1 730724067 NHHAUNCEFQPQHD-AWEZNQCLSA-N 442.505 0.932 30 20 ICED CCn1cc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 749216524 FVSVMHVZNXWYJB-LLVKDONJSA-N 425.492 0.225 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 749504341 LMNGEZSLRVNOPI-UHFFFAOYSA-N 444.513 0.420 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccnn3CC)c2=O)c1 753787980 GPSBGBZILBTQFK-UHFFFAOYSA-N 447.520 0.362 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 755494210 TUSAVRRINZEFHB-CQSZACIVSA-N 446.476 0.353 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 756305449 WKNGAYUTBCGNGK-UHFFFAOYSA-N 434.923 0.818 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 761025922 YFPOKQFKVJNLBV-KRWDZBQOSA-N 449.577 0.120 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCc1ccco1 767678161 WENKGYHYIWSECQ-GFCCVEGCSA-N 434.430 0.387 30 20 ICED COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(F)cc1F 780751680 PKEATWPFLHTYSG-UHFFFAOYSA-N 427.389 0.984 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 780758998 VRLGJRJTZLAXCA-UHFFFAOYSA-N 425.532 0.277 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 782905307 MRQHTVFYVKNANK-UHFFFAOYSA-N 429.477 0.652 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)c1 787598439 CHWQNKJYZGMXSR-AWEZNQCLSA-N 438.506 0.373 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)n(C)c2n(C)c1=O 789491309 JDYZQRRNHBOUHR-ZDUSSCGKSA-N 429.383 0.493 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 791186735 BUCQZYZKQPNTAA-HNNXBMFYSA-N 429.502 0.977 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2)c1=O 794628537 NJIXBMYAZRLONR-MRXNPFEDSA-N 446.550 0.453 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 799288080 YELDINUMLVFRRE-QGZVFWFLSA-N 433.530 0.641 30 20 ICED C=C(C)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802601303 QDAAXALVONYQDE-OAHLLOKOSA-N 431.584 0.617 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)NC(=O)OC(C)(C)C 804045311 NOQYQVVXTRPEQR-RHSMWYFYSA-N 443.504 0.805 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)CC2)o1 811237422 BATUBMDSKXUIAE-JOCHJYFZSA-N 437.456 0.504 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2cccc(C#N)n2)c(N)n(Cc2ccccc2)c1=O 811253057 MAEDJJIKSSJLOX-UHFFFAOYSA-N 433.424 0.967 30 20 ICED C#CCN(C)c1cnc(-c2noc(-c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)n2)cn1 813340593 DNRJKUJHXOPFRQ-UHFFFAOYSA-N 432.444 0.771 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 813946606 FXBAUIVRXFXKIE-UHFFFAOYSA-N 437.497 0.439 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 816714516 JQVFQYQUMSAPSF-UHFFFAOYSA-N 440.547 0.983 30 20 ICED COc1cccc(CNC(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 831243698 MVSBTVQEWIKNTC-CYBMUJFWSA-N 431.470 0.982 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)ccc2C)c1=O 838185288 WCMWMEZDWGAQMQ-MRXNPFEDSA-N 429.542 0.827 30 20 ICED CS(=O)(=O)C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 917185127 SRIQUTBOPACQBD-CQSZACIVSA-N 427.548 0.789 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 918874982 JNOWJOFLDSHFAA-CQSZACIVSA-N 438.506 0.817 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1503462183 NWBOGALZBUFLOH-INIZCTEOSA-N 437.547 0.733 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1616126983 NRUBJXRJHAWQPF-MAUKXSAKSA-N 426.543 0.704 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1627509993 PNVLIGAUKSPQQN-UHFFFAOYSA-N 428.536 0.832 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1643404168 VRVPBGZREHMVAE-WMLDXEAASA-N 442.451 0.400 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(CCC#N)CC2)c1 1654779987 MKNAMGNNCQKTPH-UHFFFAOYSA-N 435.550 0.445 30 20 ICED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1726750358 UMEUHULNPPNINX-INIZCTEOSA-N 446.533 0.989 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1744696772 NOJCVCVLRDMPIU-QGZVFWFLSA-N 429.550 0.973 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1748088529 PXYPFKUMHLCHBH-AWEZNQCLSA-N 426.543 0.319 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1771082246 ZDQQNMUHZFIQQP-FQEVSTJZSA-N 441.536 0.736 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778238551 KCUFDZSXWDZFLH-YCRPNKLZSA-N 435.477 0.161 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ncccn3n2)C1 1778972223 UBUVIQPEUDFDIS-RADWXHQJSA-N 425.489 0.895 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060877 JNFKMPWMCKIQQJ-KSFYIVLOSA-N 441.488 0.106 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780067992 UNFLTXMHSPCUPZ-HZQHCPKGSA-N 442.501 0.388 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)nc2s1 1780331134 MWNIAFIZTHXSIM-FQEVSTJZSA-N 439.501 0.985 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1780779605 LMDZFCFZLNIJHE-WHSLLNHNSA-N 438.525 0.690 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781390358 HIRQPMQPESVAPU-IIBYNOLFSA-N 433.509 0.765 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1781793612 PLBJLFWEOFZDFU-QFIPXVFZSA-N 435.440 0.998 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782104099 DUVOCCWYSQWZCO-WZONZLPQSA-N 447.580 0.795 30 20 ICED CN(C)[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1Cl 1782835301 SLGWUHOBIOZBLC-FPOVZHCZSA-N 433.892 0.861 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495628 VVWWGRCDFHRJRF-PXAYELCQSA-N 437.496 0.765 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1785430212 QXQBKZVUZHYRCV-VGOFRKELSA-N 437.537 0.894 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260103 KLNUEMIZCJSIPL-XEZPLFJOSA-N 437.447 0.431 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788515822 FLLNYZVDOSAORR-HYUBVOGNSA-N 441.484 0.739 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789390453 WRWHDIQRLMJNAK-RJKWBWEDSA-N 432.481 0.988 30 20 ICED COc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc1[N+](=O)[O-] 1789850954 PXETYMAJLCOEFY-MPGHIAIKSA-N 445.428 0.214 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1792923024 NKSMFYPKAHZCFX-XEMDLRDOSA-N 441.532 0.988 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1793362331 MUPSFQQBQMOIGM-ROPHOZQPSA-N 429.517 0.987 30 20 ICED 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)[nH]1 1793539570 QFFHZKSOUJCINW-KYHPRHEASA-N 445.520 0.838 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794224801 HDXMVIAFVABDNE-BCDXTJNWSA-N 426.521 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1795598983 IRRWDRIZVHTMDQ-ALXJQNPVSA-N 425.493 0.214 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1Cl 1797625771 QUYIYLATVCVUEA-IVWMJMPLSA-N 443.895 0.748 30 20 ICED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818652 XKKXHEWKMJBPHA-QTTPAESDSA-N 432.477 0.326 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798593277 IIUHCKIOIUFFRH-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)ccc1F 1800136552 ASACHYSMACTJGS-REPLKXPHSA-N 432.496 0.165 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1802022639 CWIAYPGPBZPSPP-YYAJDYIMSA-N 433.505 0.916 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810558923 IZHPDQYLXDDLJZ-HUYLIWGRSA-N 430.505 0.277 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812873733 FLOHIQKJNXMFCE-IERDGZPVSA-N 435.440 0.843 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1814019148 ZSDLNDQSVNQNAP-IERDGZPVSA-N 440.525 0.757 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972262 GETNAGBQTYAGTN-GFCCVEGCSA-N 441.579 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(=O)(=O)CC)n[nH]1 1815172122 ZBALUBWWQYYJCE-CDNLZTBQSA-N 437.522 0.695 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820021796 KSOGJOCYDADTEW-GXTWGEPZSA-N 425.449 0.643 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCN2C(=O)OCc1ccccc1 1828739552 VLLAPRPYFWFXHG-HSZRJFAPSA-N 435.484 0.968 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1829635432 HNTXDMGJPSFRFR-IKJKNFHUSA-N 439.512 0.840 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1829773883 YOVGIJMFBKKFNP-XBKFQHLESA-N 444.532 0.583 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829902621 UYYMSZXDWQFENT-QHCPKHFHSA-N 437.500 0.533 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1830643013 VBBCETSHGSJYHP-UTKZUKDTSA-N 439.509 0.276 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1830646128 SDYOKWTWQCRNET-LJQANCHMSA-N 447.454 0.890 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)c1 1830960327 PVJCBGQCKWJEMF-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccccc3C)C2)C1 1831393701 NLIVDEQHYAWHTJ-CVDCTZTESA-N 429.517 0.902 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1831402102 NYZCJPBTRYQIEJ-PWISXXLXSA-N 428.485 0.900 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831437478 BJPBIZJVGWFFKL-FQEVSTJZSA-N 444.550 0.332 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831872906 WDLOAGXAZIXUIX-ZJHLSYPMSA-N 429.477 0.511 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)c3ccccc3C1=O)CCO2 1832534996 PEPADLIYJQALJG-QFIPXVFZSA-N 440.456 0.043 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1833095844 HZNRICMNZNKUDU-PXDRNWIDSA-N 447.580 0.331 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833454050 NBGBQVZNIQQBFE-SFHVURJKSA-N 443.610 0.566 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1833472858 JJHWNMYGUAYHTH-INIZCTEOSA-N 429.583 0.584 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833553014 DWMWTSUMJCCNLM-ARJAWSKDSA-N 442.520 0.226 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n(C)n1 1834158381 MCKJPPAJWDHXSV-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835667181 PACNEGIBTWHLID-QGZVFWFLSA-N 447.584 0.464 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835845319 MIHDJPUQDPFCRB-OAQYLSRUSA-N 434.581 0.903 30 20 ICED CO/C=C(\C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528702 NGMQFFSBMFIGRY-ODLQOEACSA-N 425.482 0.522 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccco1 1837560174 RNNMYEMLWLCKSO-IQTGRTGDSA-N 429.429 0.631 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837561487 OGVCPBUUTGAKJP-LWOHLBADSA-N 429.429 0.422 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629797 MNMYVTAKWUXZGS-VGSWGCGISA-N 446.504 0.050 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838193410 DNNIVKBEVXQZMI-VGSWGCGISA-N 430.505 0.256 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c1 1838578999 YEQPXCQVRRTIAG-JOCHJYFZSA-N 429.473 0.673 30 20 ICED CN(CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)C(=O)C(=O)O 1838730412 QLSINOUYTXAUMS-UHFFFAOYSA-N 434.493 0.222 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838734555 AZPBZVMCEDCYAS-FQEVSTJZSA-N 426.433 0.069 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839224885 RCEMBWWPOSOSPH-DYVFJYSZSA-N 435.424 0.354 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nc1 1839225833 VQFASHPPZANWEO-KKSFZXQISA-N 434.493 0.961 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1O 1839474141 LWEIZBBLPYCIIV-RBZFPXEDSA-N 437.518 0.739 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840157982 FBRHAJCAIQMUJL-XOBRGWDASA-N 449.508 0.795 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)CC1 1840158044 GLRHGVJYLDYGRH-ZKNHNOBHSA-N 428.551 0.741 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840161893 FCFIYBRNWCZFGS-KZULUSFZSA-N 438.531 0.144 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840171397 DRYYRXJAXCHYJA-IERDGZPVSA-N 441.525 0.295 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC(=O)C(F)(F)F)C3)C2)CCC1 1840814010 JULYSJPGAHYKSR-QGZVFWFLSA-N 433.383 0.242 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841894906 SFRUYDXWKAOVDI-UHFFFAOYSA-N 434.493 0.245 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846410299 LBAYSMHXTZMMDB-ZHRRBRCNSA-N 435.521 0.600 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1)C(C)(C)S 1847108955 ZZVGTJQWMKDYKS-CYBMUJFWSA-N 443.570 0.460 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)c1 30943339 YTCIOESYFBEIBX-UHFFFAOYSA-N 430.468 0.674 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 433778443 XWKFDZOLSFYHHA-MRXNPFEDSA-N 437.522 0.861 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1OCC(F)(F)F 437358425 XSVYNVXIRUKRNS-LBPRGKRZSA-N 434.396 0.717 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N 439340355 ITUBCBBNOCOSQV-CQSZACIVSA-N 437.522 0.330 30 20 ICED Cn1ccnc1CC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 440000635 GWFDGZWDKDORTH-UHFFFAOYSA-N 432.488 1.351 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCNS(C)(=O)=O 440380431 FZICKLNXAZADDD-UHFFFAOYSA-N 448.526 0.042 30 20 ICED COc1cc(C(=O)N(CCC#N)CCN2CCOCC2)cc(NS(C)(=O)=O)c1OC 463626661 UMLCCIXKHMGPIF-UHFFFAOYSA-N 440.522 0.763 30 20 ICED COC(=O)[C@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472287820 OVDZDZNBZSBTDM-OAHLLOKOSA-N 429.433 0.329 30 20 ICED COc1c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1C(N)=O 488624278 HBYQBKITKDXMEX-KRWDZBQOSA-N 435.440 0.522 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nnnn1-c1ccccc1 502151998 XUYSCGQFKRQSSA-HNNXBMFYSA-N 431.460 0.455 30 20 ICED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(CCC#N)CCN1CCOCC1 502576802 OUIUSNKTMDJIIS-UHFFFAOYSA-N 432.525 0.334 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1CC(N)=O 521251239 YEPCRQUQJURKBA-UHFFFAOYSA-N 442.541 0.459 30 20 ICED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 531384345 WLQISZPMQQNQLW-GOSISDBHSA-N 439.428 0.952 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 571331358 SZGVEOHUCRAOMM-KGLIPLIRSA-N 431.526 0.451 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)cc1 577642609 OFVNVCMOBOYMJA-UHFFFAOYSA-N 448.527 0.750 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2)c1C#N 585689890 GVIHZWXIUJUYCH-OAHLLOKOSA-N 447.503 0.707 30 20 ICED N#Cc1ncn(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 586828248 DHMMSFTYSVSAFF-KRWDZBQOSA-N 442.476 0.995 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 587983870 ZUCKHJXLXPGJJI-QHCPKHFHSA-N 449.467 0.912 30 20 ICED CCO[C@@H](C)c1nc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 588124681 GJGILVLXQZLYFX-INIZCTEOSA-N 448.593 0.989 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1 589422080 GZJPGLHWBWZBBS-UHFFFAOYSA-N 426.498 0.882 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cncn3)C2=O)cc1 617092821 CBOSTFJHMMDKPA-SFHVURJKSA-N 429.440 0.995 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccn3)c2=O)c1 726579744 NYLRYMAMYDVGDA-UHFFFAOYSA-N 430.489 0.541 30 20 ICED CC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 729537731 KGDCCYGYYKGWQJ-OAHLLOKOSA-N 436.515 0.640 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 749857130 UOBDJCLXAZHVBM-OAHLLOKOSA-N 427.530 0.288 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1C#N 752307285 JCNLQDZOUKWNIM-UHFFFAOYSA-N 425.467 0.910 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)oc(=O)n4C)nc2)CC1 754914019 MUYAOZIRMGOOQD-UHFFFAOYSA-N 430.490 0.909 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)CC1 756975618 JLFLUKREGDHLNX-FAQVEIGNSA-N 431.537 0.017 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 758052032 ATFXKUNTSSGARW-UHFFFAOYSA-N 445.447 0.935 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2I)c1=O 758075859 AOASUKIXWYIUMW-UHFFFAOYSA-N 449.273 0.397 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 761031369 QTSGIHXQEDWJJO-UHFFFAOYSA-N 448.467 0.286 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 766370774 ZUDJWNKYPJMRRS-NNLSSIJJSA-N 437.522 0.556 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)n1CC(N)=O 767891965 QSIHGWISBUCTNV-UHFFFAOYSA-N 434.231 0.092 30 20 ICED C#CCNC(=O)C1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 778251263 DBVZGEAKFCFZLB-HJWRWDBZSA-N 438.528 0.888 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782335408 KCQFCRWTURSXHM-LXZKKBNFSA-N 441.481 0.501 30 20 ICED C#Cc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 785114270 LXCJDSCGWGJJIY-UHFFFAOYSA-N 441.465 0.567 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)Nc3cnn(CC#N)c3)C2=O)c1 785158055 DIFPXZJXBOEQNJ-QGZVFWFLSA-N 426.433 0.626 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 785529804 YHGDTBWCHDAWRU-NHCUHLMSSA-N 428.533 0.621 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 787972095 OVJNGVMTFPNMIR-NHEFTAMWSA-N 444.460 0.666 30 20 ICED Cc1ccc(CN2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 791213356 IIZRVLCIHAVCSV-QGZVFWFLSA-N 426.498 0.951 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798743854 FDPZOKDJERNBEQ-CYBMUJFWSA-N 434.478 0.923 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@]1(C)CCC(=O)NC1 798822415 VJMYUMIFZGMFJT-NRFANRHFSA-N 426.429 0.826 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 799179266 GQNDRPGUWBEZFS-CABCVRRESA-N 440.460 0.885 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)Cc3ccccc3)CC2)c1 803139753 CMZYJKBMKCNTFV-UHFFFAOYSA-N 441.513 0.333 30 20 ICED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 806781183 LOCGLKBVIZFQLU-RMTVOJOISA-N 435.510 0.889 30 20 ICED Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(=O)n(C)c1=O 807182823 JQAPJYGWSSLZGO-UHFFFAOYSA-N 436.450 0.223 30 20 ICED O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN/C(O)=C1/N=CC=CC1=O 810382805 TXBXXMMAXGQVCO-NXVVXOECSA-N 447.300 0.914 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCOC 916198219 GQDLXMRXVOUGGC-UHFFFAOYSA-N 435.933 0.865 30 20 ICED COCC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916693011 LACHHFSCQFVBAG-HEHNFIMWSA-N 437.522 0.822 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 917119014 ROYPOEFXQJGZID-UHFFFAOYSA-N 427.486 0.054 30 20 ICED CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918255698 UVCBASWRWOKPDC-XQNSMLJCSA-N 437.522 0.469 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2=NNC(=O)CC2)CC1 918796561 ALOZTMRTUNPCQU-UHFFFAOYSA-N 426.389 0.264 30 20 ICED CC(C)(C)OC(=O)N1CC(O)(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248375955 QRNXKIHZNVIARA-KRWDZBQOSA-N 443.504 0.940 30 20 ICED COCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1301460680 WLGBJIYTMHNPAU-LIRRHRJNSA-N 434.522 0.786 30 20 ICED COCCN(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1306818111 QCUOJIVTOCWFTH-UHFFFAOYSA-N 440.522 0.836 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1313003926 MOHIBZBHSJPOAX-IAGOWNOFSA-N 435.550 0.782 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1508426568 VETCTBSZSSWPRJ-ZFWWWQNUSA-N 429.568 0.601 30 20 ICED CCC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1514330456 ZYEPXZOFIGTLFH-USXIJHARSA-N 439.586 0.880 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCN2CCC(O)CC2)cc1 1521110139 KFQPGTLVUFHAOY-UHFFFAOYSA-N 439.520 0.512 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C#N)c1=O 1639164787 YFFURSMAEPRNPF-UHFFFAOYSA-N 425.470 0.609 30 20 ICED Cn1nc2c(c1S(=O)(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCCC2 1653530503 LVWDQTUNLRHMQP-UHFFFAOYSA-N 449.558 0.866 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1695911217 XOVWDDRCDWHFGG-RBUKOAKNSA-N 444.584 0.403 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1706071737 WBWIHSIAFWQDIK-JKSUJKDBSA-N 441.602 0.719 30 20 ICED CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CC1 1741057268 NUDHSJXPEBAFKI-NRFANRHFSA-N 443.531 0.746 30 20 ICED CN(C)C(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1747525303 VTCXGORQPFNMGD-SFHVURJKSA-N 437.504 0.993 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCO1 1767707890 NNISURUNNDCIBR-INIZCTEOSA-N 425.493 0.540 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779008324 PVHWUSMLDFHXSF-GAJHUEQPSA-N 427.501 0.884 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781494837 YMJIBMPFHORHNT-XCGNWRKASA-N 448.520 0.648 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCCC)C[C@@H]21 1783528430 WGTBKKIDEFYSMM-SKNOTLCPSA-N 434.537 0.131 30 20 ICED COC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccc1 1783880259 XAIMWLGEEIEMFX-OGNFBWPZSA-N 443.456 0.151 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783904879 IUJRQWJWRMQHSD-NYHFZMIOSA-N 428.489 0.626 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 1784056078 QODLGEYMWZIZIM-QRTARXTBSA-N 449.847 0.858 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1784785982 PQKIRBRRDPNOGF-JONQDZQNSA-N 448.524 0.867 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786843010 MACBZXFAELEVFV-FHWLQOOXSA-N 447.656 0.857 30 20 ICED 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C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1 1793225637 LYIYDFAEDGDEJC-OQIJWPOYSA-N 447.532 0.791 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(COC)CC1 1793341484 VYXXRVJSXUCQLO-XMTFNYHQSA-N 449.548 0.919 30 20 ICED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(F)(F)F 1793691475 DJSMAKKMXJXMJI-PZMYTESMSA-N 437.415 0.418 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1793821439 WVHWTICPXMANOX-FVCICTRLSA-N 434.543 0.878 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccc[nH]2)cc1 1794033200 BFYJHUUCLOTCOS-BBIADKPPSA-N 449.511 0.839 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c1 1794090410 VZLVRALWOIBJDN-ACDBMABISA-N 444.557 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CN)c1ccccc1 1795671581 FRJFZJYCZCQXPX-MFJYXUCDSA-N 426.517 0.177 30 20 ICED 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431.514 0.797 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164356 GTVOASIMVRFJMZ-UIVXKWKOSA-N 426.535 0.517 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274882 JAUAYKQTGPWALK-KVPJMKILSA-N 436.553 0.466 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840488741 YPTPFEPKMQMGAQ-CHBUMTKESA-N 445.520 0.067 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840854973 SXAZHKCMJTZLQV-NZQKXSOJSA-N 442.516 0.933 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1840908480 MLDQKIBXYJNPEP-VGOFRKELSA-N 435.521 0.769 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1845130726 BAQPSXGWVJGJHS-HNNXBMFYSA-N 445.520 0.763 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)[C@@H](F)C1 1847723194 JLPWUJCQXWGHKR-UGUYLWEFSA-N 437.468 0.871 30 20 ICED C=CC[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 1847940539 SNCHVZUJXATEEF-QPSCCSFWSA-N 449.508 0.256 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409523158 RWJVSMPZHPWHRJ-ZDUSSCGKSA-N 445.523 0.546 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)O2)C1=O 410120160 PEAQZBBWINPKAV-USTZCAOPSA-N 432.521 0.025 30 20 ICED CCc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410153375 YMGDJSDQOMHRLO-FUHWJXTLSA-N 436.534 0.630 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)cc1 427755272 FNLZHLIJLGAFEH-UHFFFAOYSA-N 425.492 0.815 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 441957782 PJHUDBPPWAGROB-HNNXBMFYSA-N 443.500 0.447 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445196981 NYUKLZOIVPAQRZ-GOEBONIOSA-N 431.836 0.861 30 20 ICED COc1cc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)cc(OC)c1 447122205 ODQMSCKHIBYTDP-MRXNPFEDSA-N 426.477 1.143 30 20 ICED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 462251082 DMZRBFSRDMRFGA-UHFFFAOYSA-N 440.485 0.987 30 20 ICED N#C[C@H]1COCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 464895121 MHRSLIYAPARBJM-AWEZNQCLSA-N 428.898 0.524 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc21 471695031 XXPJOEXXVSSHQY-UHFFFAOYSA-N 449.515 0.588 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1C#N 472882467 NVNWRBSJBLYCMX-UHFFFAOYSA-N 436.476 0.417 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 474189008 JVLKDTVRJGERQJ-JOCHJYFZSA-N 439.516 0.818 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479393166 DEMGPLGJKQZKLL-HNNXBMFYSA-N 426.498 0.298 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)n1 479400155 YNGRVFBXGWTXPW-UHFFFAOYSA-N 448.504 0.664 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C#N)cn1CCOC 481466719 NMKDHMKYYXNHLE-UHFFFAOYSA-N 446.508 0.611 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)nc1 488974494 GVPSLSOPYNRLQY-SJORKVTESA-N 437.522 0.604 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 509128437 SIVUVHNLSFKTQZ-HNNXBMFYSA-N 429.564 0.895 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514033461 UTVPHSVMFGGSLD-WAIKUNEKSA-N 438.532 0.984 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1 515702078 UWERZBSEMAMFAB-YADHBBJMSA-N 439.560 0.696 30 20 ICED CC(C)OCCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 521102586 AETUFPTVMJSAEO-FQEVSTJZSA-N 441.532 0.345 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1 551196725 ZLVJBIXFTNNZFS-QGZVFWFLSA-N 439.447 0.865 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CC(N)=O 554522840 WAAPKWYNCJAPAV-LBPRGKRZSA-N 443.525 0.839 30 20 ICED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 555895302 ZAZMYWYYCZKKCZ-PXNSSMCTSA-N 432.484 0.942 30 20 ICED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N(C)Cc1ccccc1 557785678 GLVGANPLUQMEKU-UHFFFAOYSA-N 430.486 0.885 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CN1CCOCC1 559649394 FILCLANFFXDMOI-KRWDZBQOSA-N 425.283 0.459 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1 560770639 MHPOWVJBSMLCDS-UHFFFAOYSA-N 435.550 0.601 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 563762618 AXFAMENYZPCOEO-GOSISDBHSA-N 428.533 0.678 30 20 ICED CN(C)S(=O)(=O)CCNc1cc(NCCS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1C#N 563790203 GCQKVGQGDRPPFU-UHFFFAOYSA-N 448.527 0.073 30 20 ICED CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 571595003 VVVZUWVUQNMYBF-UHFFFAOYSA-N 435.893 1.371 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)CC1 588125855 PAKGHDPPLLHIAZ-UHFFFAOYSA-N 437.504 0.084 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 598929980 RAPVIERJSDBMSK-IBGZPJMESA-N 443.548 0.807 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 603587121 JBIDEMXJSQANNB-BHIYHBOVSA-N 448.520 0.570 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCC#Cc3ccccc3)cn2)CC1 674194787 HRQAYMIBNZSYNX-UHFFFAOYSA-N 441.513 0.270 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)c1 677707952 MOZOJLGMYJCMBD-UHFFFAOYSA-N 447.561 0.253 30 20 ICED COc1ccc(C)cc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910428 PHWWEIDTEZWCKS-HUUCEWRRSA-N 433.486 0.322 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 733202947 YVLAMXYVNDCSJO-SMDDNHRTSA-N 440.547 0.676 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1 749862430 RBKCERFIFYEQRV-GDBMZVCRSA-N 439.493 0.913 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@H](C#N)C1 755547598 AOJXCNIXPJECRV-BXUZGUMPSA-N 429.433 0.831 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 761030053 DYSMLDOFNJPECE-UHFFFAOYSA-N 434.497 0.344 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)c1ccccc1 767630767 PGWLRLHKVRIFJF-CQSZACIVSA-N 429.454 0.767 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]n1 770814045 UXRHXOFQIINETN-UHFFFAOYSA-N 430.421 0.951 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)c1 805418559 YGHYNVCOFAKCMV-SSEXGKCCSA-N 425.514 0.667 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)ccc1F 806838819 OJSGHIQLFMEICN-UHFFFAOYSA-N 434.453 0.509 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)[C@@H]1CCCO1 809313989 ZONMMSZJFIRMKX-IRXDYDNUSA-N 431.489 0.658 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274108 UYIWYAXCWKUMOV-UHFFFAOYSA-N 425.461 0.255 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 852964035 KTVDTAMYJRMFNM-KRWDZBQOSA-N 449.529 0.289 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 913301222 PIFXODUBPLUKPM-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED N#Cc1ccccc1OCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 917730452 AHHFGGBYHCHUST-SJORKVTESA-N 436.486 0.675 30 20 ICED CN1CC[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919062237 VPZGSYWGYXIJOG-AWEZNQCLSA-N 441.444 0.866 30 20 ICED COc1cc(F)c(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1192715283 NEHZCKSEKFINEC-UHFFFAOYSA-N 447.242 0.709 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)C1 1312470320 OKUWUHGIBLCFRU-DLBZAZTESA-N 437.541 0.926 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 1318334088 ZIMJXUCGDQRDCQ-YOEHRIQHSA-N 446.577 0.489 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1460631883 LAPCEJJSTSGENB-JKSUJKDBSA-N 425.580 0.600 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1503261010 KMLNKWZRHGCJDI-RHSMWYFYSA-N 433.490 0.954 30 20 ICED COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1=O 1504900964 OVHAIMVVCJBJMT-FUHWJXTLSA-N 437.504 0.623 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1555803317 KSRNXFYEWJUURK-HNNXBMFYSA-N 433.490 0.880 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCOC1 1608564286 SRKJFYMFGCSXFV-NRFANRHFSA-N 440.508 0.161 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCCS1(=O)=O 1707910695 VXSOZYLEKOAPQC-UHFFFAOYSA-N 433.513 0.959 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1765818322 SXNXPACGKKVVTM-UTKZUKDTSA-N 433.557 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777729947 UDQJZKKJABCVIL-IYZQMXKPSA-N 435.484 0.932 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)CC1 1778256361 AKFBYCDGGGSRMI-XMMPIXPASA-N 439.560 0.568 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058200 PZOJJVQCZRCFHV-XLIONFOSSA-N 431.518 0.487 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)N4CCN(C)CC4)C3)C2)c1 1781095119 LDDJCQSGHLFUGY-YADARESESA-N 439.560 0.946 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)c2c1 1782015198 AVXUEVGBRNCPBY-VGOFRKELSA-N 435.440 0.650 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1784444696 ANUWXHHDFPVPIK-QZHFEQFPSA-N 448.545 0.479 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1784476523 LJUGYAKPRZRZCI-VFNWGFHPSA-N 426.452 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784511864 KYRJFASSULPQJG-JYJNAYRXSA-N 442.534 0.382 30 20 ICED O=C(Cc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785423205 WRIBJHQHAGHIDU-FHWLQOOXSA-N 426.517 0.697 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CC[C@H](N)C(N)=O)CCC2)cc1 1785837305 DJBDEGXHBIXNPW-MQNTZWLQSA-N 427.505 0.572 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1786858156 MFEHYXKNJAHVEB-XIRDDKMYSA-N 442.520 0.056 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637770 ZJKVHTVZWFIMTR-VJANTYMQSA-N 431.533 0.286 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789118034 NTEDZDSXKZYOLF-IEZWGBDMSA-N 437.456 0.726 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C[C@@H]21 1789891299 LKFOADIAWGHMAK-XUFBONQXSA-N 433.549 0.816 30 20 ICED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)cc1 1790145072 FWAYLESGNSZGHP-UFYCRDLUSA-N 435.484 0.603 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790869359 IUBTUQPKPIAWAU-RNVRALISSA-N 428.489 0.441 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(Cl)c1 1791072703 WEFHVDNYJYMCMS-ZVZYQTTQSA-N 434.876 0.959 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1792261226 CJYASHCISFFFJU-NXOAAHMSSA-N 445.520 0.920 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCC)C[C@@H]21 1792261247 DTORUESNJGDOAN-XSLAGTTESA-N 437.537 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793630256 GFGSQPSFEJLHCG-UYTYNIKBSA-N 435.521 0.624 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1795599475 LEKFLCCEYGDUSL-PKRADWSKSA-N 445.564 0.259 30 20 ICED N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccnc1 1795681894 FPYARRHARORNPZ-NXNRIPBXSA-N 445.520 0.590 30 20 ICED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994852 FPFSBNHCLYRQKK-OHTBPHCPSA-N 425.411 0.770 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796074498 MORQPSFUJUDZSR-SCAQPMJSSA-N 434.518 0.379 30 20 ICED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C)C(=O)O 1797728719 CFYAEBFHIBAXGM-AXVVYFOYSA-N 437.613 0.690 30 20 ICED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797738863 CRJRENAFWCQHPJ-IAYGOTRASA-N 442.520 0.715 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccccc1 1797876505 SHORKYUCCKTNNF-WVYKEMLSSA-N 425.529 0.496 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1799306281 QIJQTQDCKIQIJY-JLVBRIDZSA-N 432.477 0.378 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801274 RZBMRDFSFLQDRI-IZZQQSIFSA-N 429.546 0.554 30 20 ICED COc1cc2c(O)cccc2cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800012735 BDKIJCXORFEGEO-YEZVWNJWSA-N 438.436 0.845 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298901 UXAWRYAOOJPEJF-CWFFCZEZSA-N 433.574 0.530 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806922188 MDAGURJRRRSNAV-PWPXAWQVSA-N 439.516 0.568 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810357858 UJICGCQERZURIJ-XCLIANHCSA-N 431.497 0.099 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2nc(N)n[nH]2)n[nH]1 1819281061 DOOZDQHZOSPPDY-QIAWRQBBSA-N 441.496 0.593 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825253763 BCMNXUPKSGOEAP-IAQYHMDHSA-N 430.477 0.917 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830053586 YRCADRSQGGMSKS-HNNXBMFYSA-N 439.362 0.348 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830871490 KGGRJPGQTFBCMX-IRLDBZIGSA-N 433.480 0.713 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1831392709 MUAUPBMZNHKRNT-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1831396763 QREQKWMQNSGWFH-SBUREZEXSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831402341 VNXQHFLXTIHMEN-KKSFZXQISA-N 439.509 0.006 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831418564 DBIQQYVZCMZEHB-HTAPYJJXSA-N 443.504 0.479 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831451035 CVDOHFKNNKNRFE-FXAWDEMLSA-N 446.566 0.106 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831498789 QFBPQQFQYDZXSI-ICSRJNTNSA-N 427.567 0.410 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831812157 WHSWWTNTGQHUNE-VGOFRKELSA-N 434.537 0.680 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1832292727 GZAQMCORUQSQRD-HSZRJFAPSA-N 442.516 0.691 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1832456752 YBCXWQRWHONSLY-IBGZPJMESA-N 427.523 0.204 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1832999476 QKNWALJWEDBTGL-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn(C)nc3OC)CC2)CC1 1833463675 SJVLMKDMFHJBGT-MRXNPFEDSA-N 431.537 0.652 30 20 ICED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1F 1833488111 BEXLKPWDSMOCIZ-OAQYLSRUSA-N 432.452 0.993 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833660320 VUPLFDZCTHVMKC-JTSKRJEESA-N 432.521 0.809 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1Cl 1834677055 NSFGEZAVTKOFFM-UHFFFAOYSA-N 445.955 0.880 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1834760786 QWPGMVXKHWKAMP-KRWDZBQOSA-N 441.257 0.967 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099377 HYECYHGQZUALHS-JPYJTQIMSA-N 427.501 0.361 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)nc5n[nH]cc45)C3)C2)CC1 1835342190 MTRVEXLNXYNXHZ-HXUWFJFHSA-N 444.879 0.985 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835403177 CDIGLLHTCDKIIB-XUZZJYLKSA-N 448.608 0.849 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672384 AXJGAABDHRQEDC-NRFANRHFSA-N 430.509 0.137 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835755911 UQOPJDTXFMBCMZ-LJQANCHMSA-N 436.509 0.357 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835782654 JIPRDAALIPGJGF-XQNSMLJCSA-N 441.536 0.952 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974053 XPACSBPPVXCUPG-OXQOHEQNSA-N 440.928 0.566 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836378433 YHPBFBQHKNRANK-BZNIZROVSA-N 434.440 0.884 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1836858906 CMNVZWITMRBDOO-IRXDYDNUSA-N 436.553 0.731 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254685 MPOGYBUTZTZXSM-CXJFKTAMSA-N 436.509 0.079 30 20 ICED CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837262900 SWCQTSXCVCCHPV-FGIBHDDUSA-N 425.482 0.522 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1837403616 WOFWNBZOENSMBS-VGOFRKELSA-N 433.505 0.237 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1837938417 NMSFHNFJGSMLIO-SGCYSOCQSA-N 429.521 0.932 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1838606902 BRYHIBWZYRMWKD-SFHVURJKSA-N 441.253 0.997 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838737922 FTIGZTWEQLAYCV-NRFANRHFSA-N 425.445 0.674 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826849 BLGVDHACUZOILW-BCVDLATCSA-N 448.480 0.465 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839059714 AOYRYDIYKUSHQN-JOCHJYFZSA-N 431.489 0.590 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1839174819 YFKDXYSJSUWYCH-QHCPKHFHSA-N 445.516 0.980 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839228874 RJUFFUBLMOXLAN-HRAATJIYSA-N 434.493 0.587 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363133 KMJZTNLEYSNHEL-UZUQRXQVSA-N 440.500 0.513 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561062 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1846194937 HSAWITKRXLNAJM-UHFFFAOYSA-N 443.460 0.565 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 409523958 VQIGOQBAGVGAMR-AWEZNQCLSA-N 445.523 0.627 30 20 ICED CN(Cc1ccccc1Br)C(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 410127634 CCFPJKGXVLQAKX-AWEZNQCLSA-N 445.339 0.856 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 410411841 VGACNOSVYSCCOS-KRWDZBQOSA-N 440.570 0.528 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 427499930 PYEMVNJBDLCJCB-CYBMUJFWSA-N 449.393 0.913 30 20 ICED CCOC(=O)c1c(NC(=O)NCC2CN(S(C)(=O)=O)C2)c(C#N)cn1CCOC 429548372 MDWMIQFVFAVRSZ-UHFFFAOYSA-N 427.483 0.196 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440390801 ZWQLHVBAOSOXOM-UHFFFAOYSA-N 434.481 0.706 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CCN3C(=O)NC4(CCCCC4)C3=O)no2)C1=O 460507185 BTTJMEKMQFYVHS-UHFFFAOYSA-N 430.421 0.344 30 20 ICED Cc1nsc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)c1C#N 461193317 KJGXTGIBDDZWJH-UHFFFAOYSA-N 440.489 1.368 30 20 ICED N#CCN1CCC(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 464971529 IAEATJMBFNBDCO-UHFFFAOYSA-N 426.564 0.798 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N[C@]3(C#N)CCOC3)CC2=O)cc1 478663775 WGDJTMRBRVZJPA-QRWLVFNGSA-N 434.518 0.869 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 482427195 WJAFSJRMYGKLBZ-CJNGLKHVSA-N 430.490 0.189 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 482837665 KEKRYLGQONSASH-JQFCIGGWSA-N 425.532 0.793 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(C)C)c1=O 505700168 NLKWAAMXRPMWIA-UHFFFAOYSA-N 431.587 0.686 30 20 ICED COC(=O)C[C@@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccn1 509138709 MJLOWLLXDHEUQC-OAQYLSRUSA-N 426.477 0.966 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cn1 509628093 GBDBZDGFEBTCOJ-UHFFFAOYSA-N 426.451 0.914 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 511826256 YBYSTRXQIZIBIY-UHFFFAOYSA-N 434.543 0.843 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 517332496 MAVCQMOQHOBRMB-UHFFFAOYSA-N 436.472 0.708 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(N)=O 525173578 BVRBPKLNBIFWRC-UHFFFAOYSA-N 438.509 0.784 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 530892992 OWUBQLWXYVEPRK-UHFFFAOYSA-N 435.490 0.470 30 20 ICED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542939332 CADKPOVJUCOQDF-UHFFFAOYSA-N 443.525 0.757 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544872858 IZEXPTFTHDKJBS-UHFFFAOYSA-N 436.472 0.755 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 549677832 JETUNUXYYRNMSU-INIZCTEOSA-N 445.549 0.985 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 550008413 TYMUBGKKLNYWHI-QGZVFWFLSA-N 433.578 0.448 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)C2=O)cc1 550164484 FSMVPDMAXBHBQT-OALUTQOASA-N 428.489 0.872 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 552456380 UWUYKELUNNKUPW-FQEVSTJZSA-N 428.533 0.978 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1=O 558005405 NHPDMGQQXAICIB-PMACEKPBSA-N 428.533 0.291 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2=O)cc1 567270040 HLCZWXHUCJUANG-NRFANRHFSA-N 446.511 0.515 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cnc(NC(C)=O)s2)c1C#N 572797157 JIJDCTUITOPQFJ-UHFFFAOYSA-N 425.496 0.576 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 584138078 RQGOEONBCHIOFR-UONOGXRCSA-N 448.501 0.002 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCOCC1 584546187 NAYYMNKYGWJHPU-AEFFLSMTSA-N 431.512 0.867 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 590001531 KWKGFRGGULDHGJ-MRXNPFEDSA-N 445.501 0.606 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 590986613 DWMUVBUEHYJJLL-UHFFFAOYSA-N 449.916 0.620 30 20 ICED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 609101091 GQAJUXTVBHEICN-LJQANCHMSA-N 425.489 0.057 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 610805196 KTCFILYMNSCPFH-ZDUSSCGKSA-N 436.515 0.330 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CC[C@](F)(C#N)C2)c1C(=O)OC 615647363 ZMSPLDSRMOSUPM-SFHVURJKSA-N 441.437 0.913 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2cccnc12 732908065 HKVDCVMNHQHACA-HNNXBMFYSA-N 438.469 0.703 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccc(F)c(Cl)c1 732909074 XPVBENKCIOXUCI-GFCCVEGCSA-N 439.856 0.948 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3[nH]n(C)c(=O)c3c2C)CC1 733149265 CAHLJJNRRQYLSI-UHFFFAOYSA-N 426.521 0.095 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@H](C#N)C1 755535933 IZGVPPMPWUZTEV-BXUZGUMPSA-N 429.433 0.831 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 755627076 HVLLXXSEFAXJOF-HNNXBMFYSA-N 448.570 0.892 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C(C)(C)C)n2)c1=O 758090397 QQHSUDMIBOXCGD-UHFFFAOYSA-N 430.555 0.563 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 760135844 ZDUHAWFGSJYAOK-HZPDHXFCSA-N 445.524 0.904 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 766989362 BOOIRIUVNPCYTN-UHFFFAOYSA-N 448.482 0.453 30 20 ICED C#CCN1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 767310576 XAHGYFHSWXUKLF-UHFFFAOYSA-N 427.324 0.579 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776753461 RLWRPDFSXCJLLD-LBPRGKRZSA-N 433.892 0.990 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)nc12 783080673 PZAPPDDFOWUGPR-UHFFFAOYSA-N 439.409 0.970 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784716613 MOKWOEAXNRAIBF-QGZVFWFLSA-N 441.513 0.818 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794580868 FEYGOHNPDUQVFL-AWEZNQCLSA-N 445.497 0.170 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 804104916 OHNOFDPLFDMXCL-CVEARBPZSA-N 436.306 0.982 30 20 ICED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nc1 809172753 DSZIXCCDGNLBGX-UHFFFAOYSA-N 433.467 0.438 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2nsnc12 821728127 ROSTVCKREGQFRG-UHFFFAOYSA-N 431.455 0.912 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)s2)cc1 908184668 PEXVEVCXSCDRDI-UHFFFAOYSA-N 427.529 0.498 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 913023215 SHAXHTQTJNENON-UHFFFAOYSA-N 426.454 0.902 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)o1 914684663 NLVOBCMPXHBZNC-GJZGRUSLSA-N 443.460 0.222 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C(=O)NC)c2ccccc2)cc1 918970121 RGHJTUGWVYREKD-IBGZPJMESA-N 445.497 0.911 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OC 1116880953 OTABDSBZICOVJN-ZDUSSCGKSA-N 435.296 0.831 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1=O 1160605015 QOBYZAJJZBWLGA-ROUUACIJSA-N 427.505 0.206 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1299075695 VVQRSHQFXYSJPG-MRXNPFEDSA-N 431.522 0.328 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1299304043 XYOWZPOEIFZDDU-WMLDXEAASA-N 434.522 0.606 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1301898310 DJFVQSQSPXEEOA-RXVVDRJESA-N 426.477 0.309 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1303803331 MAAMFZYLZOVTNP-HZPDHXFCSA-N 441.602 0.862 30 20 ICED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1315121381 OKWXQXUDCWPFFP-UHFFFAOYSA-N 439.476 0.564 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315736999 XMMGEFAHVBHWEM-FVQBIDKESA-N 426.543 0.680 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)n1 1492753938 LPOPVSIKAZMLKG-KRWDZBQOSA-N 428.497 0.117 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1503462184 NWBOGALZBUFLOH-MRXNPFEDSA-N 437.547 0.733 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1509955751 RNFOHMQIWLQDJH-GJZGRUSLSA-N 426.543 0.654 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1555252242 XFOWTVPPXVHLNA-SFHVURJKSA-N 448.549 0.950 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561990327 OVNVFWUOUVTBNM-GFCCVEGCSA-N 437.293 0.281 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1566410198 UXFHRUZZASWDRD-LSDHHAIUSA-N 444.517 0.358 30 20 ICED C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)N1CCS(=O)(=O)CC1 1611544846 UGVSOIAMSBFJTH-NSHDSACASA-N 444.307 0.461 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1624913635 YQEQJVBKAZADEE-HNNXBMFYSA-N 429.502 0.575 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 1690346681 ZLMHXNCVSKSPPK-CHWSQXEVSA-N 432.934 0.065 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778384070 UNDRQQGWKCSBOR-VFNWGFHPSA-N 446.508 0.261 30 20 ICED N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779064245 CFLIBMCEHOHPGF-HYBUGGRVSA-N 440.544 1.000 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1F 1779101625 RYIMMWLLLGBZRX-RNRNXMBVSA-N 437.472 0.840 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779217991 ADSGWFACAYEBKB-IYIIOPIMSA-N 434.497 0.273 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1780173651 BCUPGOUGMOWDHK-ZHRRBRCNSA-N 438.488 0.938 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197153 AVBCZCLZXQKRJS-NRFANRHFSA-N 440.460 0.672 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782196748 GMWDCSHVSGUSSG-QHCPKHFHSA-N 446.467 0.891 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782558460 JKRFEBIPFWUBCX-VGSWGCGISA-N 429.521 0.200 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051454 BBFWMEPPDCRJNH-QFIPXVFZSA-N 443.504 0.711 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@H]2C[C@H]21 1783568328 UFYZMDWHPHNBIV-LUDNOHBGSA-N 447.488 0.302 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783904126 NNTNZJFRPWPVFR-BSRJHKFKSA-N 449.548 0.990 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785263203 PHBRSOPRESXAEA-QJKPHDSHSA-N 431.464 0.620 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1785378856 UJDQNYXUXPSGHQ-IBGZPJMESA-N 437.399 0.877 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)c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c3ccccc3C#N)[C@H]2C1 1792148514 OCJJHBPHJHEOKV-RNVRALISSA-N 428.489 0.441 30 20 ICED 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)CCO1 1793082973 NCYGFOSLWFBSGN-RBGFHDKUSA-N 443.566 0.530 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2 1793343130 LVWGSZYRTROOGD-KMQSCTNJSA-N 441.528 0.765 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(Br)nn2c1 1795928814 AVEQYOONDSZAAH-JJLQDPRZSA-N 433.266 0.609 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)c1ccccc1 1797876567 IVBRPZQYADGVQB-RCLSDMTESA-N 432.542 0.818 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1cc(CO)on1 1798732405 VQAYHRGVWRFDSR-BPNQKZMOSA-N 431.470 0.871 30 20 ICED CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)C1 1799119802 IIBSCEULUASGCJ-PDOICOKGSA-N 436.516 0.980 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1)c1ccc(O)cc1 1799142941 KCQDAFLUQUHOIK-RHQLPXPBSA-N 441.528 0.202 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1799283986 OBGLUBRHCRNEIW-QDMKHBRRSA-N 448.443 0.258 30 20 ICED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)CC1 1799746014 IQIRDSKVFIZFMW-UPHUGPLXSA-N 429.496 0.148 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1 1801268205 ZOOSOZSMWDTFNV-BJWYYQGGSA-N 428.489 0.898 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1802017728 DFLGGYRAXPPRSQ-HIRMHNASSA-N 433.505 0.568 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCOC)C2 1802124849 LWKMSUXAVFIKTC-ZMMAXQRCSA-N 437.537 0.919 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1803570495 WNGDBPQCISJVNI-OGWOLHLISA-N 438.488 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1810247954 LYZPBZOPBQGJPW-ZIFCJYIRSA-N 431.537 0.932 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nn[nH]c2C(F)(F)F)[C@H]1c1cccnc1 1811563533 QHQRLFPVKFOMIV-XHDPSFHLSA-N 436.350 0.626 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818799962 NRJYVMFORDYKHJ-WMLDXEAASA-N 435.594 0.876 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1819716258 ZZGHUEKYOLTZHB-GXFFZTMASA-N 433.538 0.961 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](NC)C(=O)O)CC1 1823744158 OGBWECKGFOQREX-JKCVZHOFSA-N 434.537 0.527 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829632099 OZHJJTZWAMUMCY-HSZRJFAPSA-N 428.533 0.947 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829632100 OZHJJTZWAMUMCY-QHCPKHFHSA-N 428.533 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1831393538 NDXCXQGXWNXCFA-HXOBKFHXSA-N 441.484 0.865 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831426993 RFGFJQSCIPCAET-AOMKIAJQSA-N 448.520 0.586 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CC1 1832355364 NXVPTYLTDADIPF-UZUQRXQVSA-N 444.532 0.538 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1832771792 CPGMQKIKTOSVDR-QFIPXVFZSA-N 428.489 0.783 30 20 ICED Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1834049037 JYQMDNMQUZPCTC-KHLOOKIASA-N 446.504 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835767705 MTSCBMWUJMHYJQ-WUQWGJGYSA-N 433.553 0.615 30 20 ICED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cs1 1835796002 RLRZNCSGIFUDQI-JWWNMXMMSA-N 433.490 0.507 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2ccnn2)CCO3)c1 1836205669 CIZOKOIGECESGY-JOCHJYFZSA-N 438.488 0.239 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118607 XHIWEJFWKBTXHT-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837202441 UJXLSJCWIHUHLK-LAUBAEHRSA-N 439.509 0.276 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)c4nncn4c3)CCO2)C1 1837372999 NGIMHPMZQCXNSG-SGTLLEGYSA-N 439.925 0.771 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837399071 NBCGDENZHKCXEN-CVDCTZTESA-N 442.516 0.977 30 20 ICED O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567478 MPDLWHUYEHVEFO-XZEIMLRBSA-N 429.477 0.511 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837567713 UIKXBGYQTHHHAX-WVAINFSASA-N 443.504 0.921 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(-c5cccnc5)[nH]n4)CCO3)C2)CC1 1838027622 DKZMVSPRHNKCPZ-QFIPXVFZSA-N 436.472 0.845 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n(C)n1 1838044759 BUAQIWMYRFPZRE-IIBYNOLFSA-N 435.525 0.853 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838414799 MGTFXZLIIHNAHR-NRFANRHFSA-N 442.497 0.239 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1839173939 WOMNLIGQFUYHKD-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1839175676 YELDRTBJXPVKRJ-NRFANRHFSA-N 433.461 0.367 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n[nH]1 1839223888 KACFKLBOKZERFE-QRWLVFNGSA-N 435.481 0.483 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839224330 ISSWWTDBDAXZPP-ACJLOTCBSA-N 425.511 0.596 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362512 XQLRRZCZXCZXSH-JOCHJYFZSA-N 429.473 0.776 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H]5C[C@@H]5F)C4)C3)c2c1 1839489025 LRTPKZCETDIKKN-WDUKFBBWSA-N 427.436 0.863 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839889207 ITCCGFFFKQNHMM-HNNXBMFYSA-N 444.353 0.760 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1)C(F)(F)F 1839892300 FWQSTHMGGZLORQ-QAPCUYQASA-N 428.411 0.656 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840160789 RYIOHKUOLNMLIN-YCRPNKLZSA-N 446.529 0.554 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279957 MMOGSMQZVOACNO-UTKZUKDTSA-N 428.526 0.823 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1840327598 QYCMGSIXFMXLIW-JPYJTQIMSA-N 429.517 0.854 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343390 VCSFXMTVPMHWON-KKJGSBBASA-N 447.492 0.408 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1840418537 CNNBXMDTBNFIAH-ZSTKKLLYSA-N 430.465 0.008 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c(C#N)c1 1842564034 HHUGNCDYHANULL-UHFFFAOYSA-N 448.483 0.566 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)no1 10808217 FPJBXQIQCATIEU-UHFFFAOYSA-N 426.477 0.875 30 20 ICED N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 61998567 RQSPUDSIZUIXRC-UHFFFAOYSA-N 442.497 0.975 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)OC)C1=O 427045213 PKPIIKZUZAOGFZ-OAHLLOKOSA-N 430.392 0.484 30 20 ICED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 437119797 ZQAKJSMRWMWCMJ-VXKWHMMOSA-N 439.560 0.761 30 20 ICED Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1S(N)(=O)=O 446726294 LMENCUOBUKJAPE-ZDUSSCGKSA-N 436.515 0.497 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCOCC1 460605322 JSDXUKRYRRRNSL-GOSISDBHSA-N 425.493 0.941 30 20 ICED COc1ccc(NC(=O)Cn2ccc(C)c(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 467204014 CDTJBBYXIYAKFH-UHFFFAOYSA-N 446.485 0.697 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1 469105449 XJYCTWAGOGSUCE-UHFFFAOYSA-N 427.486 0.137 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 475991255 QMCDAGBNXPMJFH-IBGZPJMESA-N 432.484 0.892 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 476416295 SANMHINRTRPZBQ-PMACEKPBSA-N 439.516 0.099 30 20 ICED CCOC(=O)c1c(NC(=O)NCCC(=O)N2CCN(C)CC2)c(C#N)cn1CCOC 481469772 ZYQOEJOQYBHERK-UHFFFAOYSA-N 434.497 0.468 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 481795094 MGSUQBZVENROBY-HUUCEWRRSA-N 428.511 0.288 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 483046894 XZXDFNVTFUJYHT-ICSRJNTNSA-N 427.549 0.385 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487504747 PWVJRIDIKGXBPJ-PXNSSMCTSA-N 440.548 0.901 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 490353967 PFPDYMKJNSMRJZ-HNNXBMFYSA-N 431.493 0.191 30 20 ICED COCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 498185346 TZRMDNNPEMGYBL-UHFFFAOYSA-N 449.514 0.633 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 500345137 JXDDQPIPFZCWRZ-GOSISDBHSA-N 428.489 0.885 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 502052340 ONJXPSZTJHVRRI-UHFFFAOYSA-N 437.525 0.152 30 20 ICED CCn1c(=O)c2ccccc2n2c(Cn3cc(CN4CCOCC4)cc(C#N)c3=O)nnc12 516693665 YJNSBFXRZXWKKO-UHFFFAOYSA-N 445.483 0.978 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C 539204576 ADIXBJARPIGEAP-CYBMUJFWSA-N 425.449 0.539 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 550333790 AXKMTTFOMBIAPS-XJKSGUPXSA-N 429.926 0.832 30 20 ICED Cn1cnc2nc(O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c21 552930863 SYVYKLPVVUTHBK-UHFFFAOYSA-N 426.458 0.692 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558058044 WTVRPRKKRFYJOX-LJQANCHMSA-N 441.532 0.739 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 561644911 IRBZORQSZNIJNL-SLFFLAALSA-N 430.505 0.160 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC(N)=O)c2=O)nc1 569423514 WQDTZMYBYPUQBH-UHFFFAOYSA-N 440.431 0.763 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)S1(=O)=O 571811735 ADJRGWIVRRRPLV-GASCZTMLSA-N 447.517 0.962 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 572852546 YKCNOILKKNKMFT-UHFFFAOYSA-N 439.520 0.403 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 580483914 WHJVLGYZFNNVHJ-AWEZNQCLSA-N 426.539 0.775 30 20 ICED COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 588036856 PTBIQDCXUMYGFS-MRXNPFEDSA-N 438.488 0.377 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 672341094 BIQKNHIAFJYCJU-INIZCTEOSA-N 435.475 0.106 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCNS(=O)(=O)CC)cn1 726113996 WDPQTNDYAMRQHE-CYBMUJFWSA-N 430.556 0.300 30 20 ICED C[C@@H]1Oc2ccc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2NC1=O 728087287 SBHMHIWHRGONSD-LBPRGKRZSA-N 443.437 0.982 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 728570378 BKRHJYSTZDJHDB-LJQANCHMSA-N 428.533 0.734 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 729253700 GQFXRNSBBZCFCI-GOSISDBHSA-N 438.469 0.944 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1C 731205128 ZMSPHIJWXSPLAF-UHFFFAOYSA-N 445.566 0.353 30 20 ICED CN1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCC1=O 739115066 ACTQQXGASCGPRT-USIKMKBCSA-N 435.506 0.175 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 743917521 QRDCFFNLTNYVNT-CVIUTVQRSA-N 433.534 0.791 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1Cl 744114705 WOVZWAXLBPRFME-RRCSTGOVSA-N 437.861 0.569 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 750688360 RVKXLOMXKPNPTG-CQSZACIVSA-N 438.444 0.371 30 20 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CC(C)OC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833393464 WLVPBBJUNLPUMD-OAQYLSRUSA-N 430.461 0.630 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1834084285 FLBKFOQRBRLRKR-OBKNTDCBSA-N 447.492 0.384 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1835096444 GDZVTZQNINYLCP-QHCPKHFHSA-N 443.569 0.543 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835481575 BOLKRXPALZNORU-OAQYLSRUSA-N 449.640 0.379 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1836199614 RLXAIIRZIJRGDF-IIHIVLJSSA-N 432.525 0.120 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1836846021 DZVBRPWOHVVWMX-ZIAGYGMSSA-N 435.612 0.631 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)CC2)c1 1837116365 APQKXAPJCIPARM-MRXNPFEDSA-N 442.476 0.097 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1837395258 VJCWSRXRYGOXGT-VGOFRKELSA-N 433.505 0.733 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1837400756 OAZULRYGPROSPL-GCJKJVERSA-N 435.521 0.804 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837488561 JYHGZPAIVJGVIN-FQEVSTJZSA-N 434.518 0.307 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531434 MRDBNTSFNPYEMG-YRPGDMADSA-N 435.481 0.317 30 20 ICED Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)no1 1837554788 YEEGWDIZZRYQKP-BDNZGDGKSA-N 445.520 0.735 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980266 BHOOKKBDCODCHP-HYARGMPZSA-N 428.493 0.989 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838328301 AVRNCBLBQKZTSD-QFIPXVFZSA-N 445.520 0.638 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838732415 PMZLYCVWHWELQE-HXUWFJFHSA-N 430.440 0.695 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(F)(F)F 1838732679 ZFDYBQHJYKYLKC-DLBZAZTESA-N 430.383 0.270 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)c1 1838907436 SHMHGUIVTPLLPN-KSEXMQBYSA-N 438.484 0.463 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839174255 OZYRWUVGFQNNJL-OAQYLSRUSA-N 448.476 0.065 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839223511 XZZFQCGVDUTQSE-IERDGZPVSA-N 434.493 0.256 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cc2C1 1839621791 RELVDOSQHZCBAO-JOCHJYFZSA-N 442.520 0.092 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670368 FDPFWRBCGDIFJV-SFHVURJKSA-N 442.419 0.229 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1839810584 FUOUXTAZVMFEAR-LZBANZJXSA-N 433.505 0.523 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1839889814 RGGUVMDHMBFSCE-GOSISDBHSA-N 428.436 0.710 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165088 VYOXKNQHKZXVJO-FVMLFMEYSA-N 445.541 0.671 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840841458 AGYHXGDWMFDCIG-HXUWFJFHSA-N 429.502 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1841055604 MUUPBCMJBSNVRB-SREVYHEPSA-N 426.521 0.394 30 20 ICED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223311 UGHOFWJGPBLMNQ-LMMKCTJWSA-N 429.517 0.960 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)ncn2)C1 1841695137 VDPUBALIFKIKDJ-AWEZNQCLSA-N 429.477 0.916 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846980226 CRRLZELIINQYSQ-SFHVURJKSA-N 444.488 0.984 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NN(C)C(=O)CC1)C2 1847068771 FTFCPXVFTKQGBA-OAHLLOKOSA-N 445.520 0.715 30 20 ICED C=CCNC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15508653 XKIAGYAXMWLUEU-KRWDZBQOSA-N 441.575 0.861 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24149734 UZBHNOSWIQRJAD-ZDUSSCGKSA-N 445.501 0.642 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 30596586 XHLLBTCUPSBBSI-GJZGRUSLSA-N 428.536 0.219 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 430398273 XOSQYFMESCNHTO-RYRKJORJSA-N 435.525 0.909 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOCC(F)(F)C(F)F 434556370 LAEDJVUWSPWHRM-UHFFFAOYSA-N 428.346 1.419 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H]1CCS(=O)(=O)C1 436910329 PTAKHMLRNZWFDF-AWEZNQCLSA-N 428.532 0.992 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1 436948754 VFPJEBAEFHYOOS-UHFFFAOYSA-N 442.497 0.963 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 444061948 GELIBEWWJJDFFX-UHFFFAOYSA-N 435.531 0.714 30 20 ICED CC(C)C[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445986928 ZWAHWOROKXJXCP-SFHVURJKSA-N 447.561 0.238 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 463339866 KWXDOPHOWQOBMD-UHFFFAOYSA-N 427.533 0.631 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc1 467553031 IGPCURUIFIMLGF-LBPRGKRZSA-N 427.482 0.169 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)c1C#N 472108274 NAKZQRRJJMYCMS-UHFFFAOYSA-N 445.549 0.551 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)CC2)c1C#N 472859746 GBVXILZHCIPZAH-UHFFFAOYSA-N 435.488 0.516 30 20 ICED C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 472911461 QBDMBVZHHDCADQ-GOSISDBHSA-N 448.593 0.600 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCNS(C)(=O)=O 474341053 HLGWEOFPKFZRSC-AWEZNQCLSA-N 448.570 0.281 30 20 ICED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2 476897832 NWQPFTZUNNRSJY-UHFFFAOYSA-N 438.423 0.644 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488681178 SQALCGOYDHFJLY-OAHLLOKOSA-N 437.460 0.279 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC 494737461 RRRQWGNUKDCJQB-MRXNPFEDSA-N 425.555 0.965 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)n(C)c1 496111393 MJPOOBIAURQFRA-CQSZACIVSA-N 440.489 0.698 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 502045560 FTBKCOQHGMUDJE-UHFFFAOYSA-N 445.451 0.176 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)nc1 502842401 JRVINEMTYWOEGR-UHFFFAOYSA-N 434.416 0.703 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2n(C)c1=O 504126530 BOACPBKBWVYTOF-QGZVFWFLSA-N 434.456 0.222 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 511808443 NGAIHOBBMVLTAB-OAHLLOKOSA-N 448.545 0.861 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)C1=O 522241825 XFJCHZPKSRATAS-UHFFFAOYSA-N 434.880 0.970 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 526097406 XAGGCQVJSUATIL-UHFFFAOYSA-N 427.465 0.360 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1[N+](=O)[O-] 541146307 JFKNQWQANBBXMU-GFCCVEGCSA-N 425.405 0.941 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CC(N)=O 547434119 AQNHHCVPINXRBY-ZDUSSCGKSA-N 437.525 0.883 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccn2)CC1 550498012 DYKOTXCCLLRVFB-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(N3CC[C@@H](NC(=O)NC)C3)c(C#N)cc2[N+](=O)[O-])C1 557653035 NZHDVSSEUAJVJB-KGLIPLIRSA-N 430.469 0.482 30 20 ICED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 559007457 HUTFQHKKGSZUQW-UHFFFAOYSA-N 433.557 0.946 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3nccn3CC(F)(F)F)C2=O)cc1 561239845 FBIWKSARUCRDMQ-HNNXBMFYSA-N 448.405 0.851 30 20 ICED Cn1c(CCC(=O)NCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 574712377 DBYPQUMBNICUTA-UHFFFAOYSA-N 446.533 0.436 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 580251971 VEEOEFNEACVZHU-QGZVFWFLSA-N 448.483 0.532 30 20 ICED Cc1nc(SCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c(C)c1C 603449028 JUWGUOPFIXBGGK-UHFFFAOYSA-N 445.545 0.500 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603986315 SZCAIJRICWDXFG-UHFFFAOYSA-N 432.483 0.427 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)C2=O)cc1 617091921 XQFMCNGVXMJYCB-RBUKOAKNSA-N 436.472 0.790 30 20 ICED O=C1COc2cc(C(=O)NCC#CCNC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2N1 680339823 ONLCCKPJNYDTOA-UHFFFAOYSA-N 434.408 0.512 30 20 ICED CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401323 MLRMSEVTZXQPNK-ABAIWWIYSA-N 431.518 0.910 30 20 ICED COCCN1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 729069145 DCHMLMAOMSENCF-CRAIPNDOSA-N 443.460 0.447 30 20 ICED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(C)c1 732909163 ZTOTUQKPFNXUEB-SJORKVTESA-N 431.514 0.931 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccn2C)C1=O 743736221 LTJLVUJPCBHLRH-UFIXSJTLSA-N 449.558 0.809 30 20 ICED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 746240093 VKLAHPDWQRELCX-SSMANRBRSA-N 431.537 0.742 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746572430 QEXMFKLWCFOWFD-CQSZACIVSA-N 431.470 0.691 30 20 ICED Cn1cc(/C=C2\CC[C@H](C3CC3)/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 749006538 YRCQNMMFUJOZOJ-PKPLTWHWSA-N 438.484 0.338 30 20 ICED CCC1(C)C/C(=C\c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C/c2cn(C)c(=O)n(C)c2=O)C1 751518679 YGDFCEWZSJUCQB-VOMDNODZSA-N 440.500 0.728 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758018687 YPMXBTYCRRPHNJ-UHFFFAOYSA-N 437.478 0.289 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCOC)C(=O)C1 768880816 JDUCZZGJOWTERZ-INIZCTEOSA-N 436.534 0.601 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1ccc(C(N)=O)cc1 769203899 FKZUVPURYAKHJE-GFCCVEGCSA-N 430.442 0.506 30 20 ICED C#C[C@H](C)N(C)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 769961261 JMJQLPQSXKULFZ-INIZCTEOSA-N 427.505 0.902 30 20 ICED COCCCS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 770254076 XCHYMFRRZXYBJN-INIZCTEOSA-N 447.517 0.496 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCC(C)(C)O)C1=O 774294664 FMBZKBHMIJRKHC-NNLSSIJJSA-N 442.563 0.431 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)c1cccc(C#N)c1 777285446 GGDKOLBGLJIBOG-HNNXBMFYSA-N 436.490 0.879 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780297454 KTXARJXAZJJHLG-UHFFFAOYSA-N 447.495 0.709 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 781908750 FOBLYFKLIAILFH-UHFFFAOYSA-N 429.414 0.531 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CSCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 783478068 AJJQJQBHXJYJRC-MRXNPFEDSA-N 438.527 0.680 30 20 ICED N#Cc1ccc(-c2nnc(COC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)o2)cc1 785659900 SVNNUDXCECOYME-KRWDZBQOSA-N 425.445 0.832 30 20 ICED CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 787185932 WPNQPVYSEIFLNC-UHFFFAOYSA-N 449.515 0.185 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3cccn(CCS(C)(=O)=O)c3=O)CC2)c1C#N 788297746 VJYDPRQKSATEDF-UHFFFAOYSA-N 447.521 0.161 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794577366 VESSVMHVZNZIMH-INIZCTEOSA-N 430.530 0.569 30 20 ICED NC(=O)c1cc(Br)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 799770925 OVCICSQNAHFGPY-FYWRMAATSA-N 443.279 0.353 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 811472072 UHJJWRNQUYFMGN-UHFFFAOYSA-N 447.517 0.428 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813980714 HESAEWXTQHETAH-GOSISDBHSA-N 431.405 0.364 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OCCCC(=O)O)c1 814883461 OKNXIUMILNGAOQ-UHFFFAOYSA-N 438.462 0.030 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 914659471 UNTWOTZMBGICAF-DGCLKSJQSA-N 448.494 0.139 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1OC 916924522 VHKWFVVTVFRHEJ-IVZQSRNASA-N 442.472 0.792 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCCO3)c1=O 917769256 YWENTJJGFDCCNS-UHFFFAOYSA-N 441.509 0.499 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)ccc1F 920460630 HRPLKDZMCHCRNR-CYBMUJFWSA-N 433.527 0.691 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1116151019 XSUUHPYNCWNKIC-UHFFFAOYSA-N 439.537 0.407 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)C3(c4cccc(C#N)c4)CC3)CC2)ccc1=O 1263292260 ZQCVWVSDOGSXNZ-UHFFFAOYSA-N 435.484 0.685 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCCS1(=O)=O 1290865667 VMDMRGDSIYBGEF-GOEBONIOSA-N 430.538 0.931 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1304906022 QGGBXMICCVKBJK-GDBMZVCRSA-N 428.518 0.918 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@H]2CCCS(=O)(=O)C2)cn1 1327080259 HAGWBECCMSRJID-OCCSQVGLSA-N 427.552 0.795 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359151065 MCKJMTDJEBASEH-CQSZACIVSA-N 430.962 0.143 30 20 ICED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1503368852 WNWKUOXBUADMSV-UHFFFAOYSA-N 447.503 0.882 30 20 ICED CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1503785828 QZCHEKGAGBVPER-UHFFFAOYSA-N 445.549 0.718 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1504582807 QQXUPJOHRKWCRM-KRWDZBQOSA-N 434.522 0.560 30 20 ICED CS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505152415 JLHOQDWMZBRWEQ-IBGZPJMESA-N 443.577 0.789 30 20 ICED CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1509585672 XUIIKRGYDKBWBY-UHFFFAOYSA-N 433.538 0.816 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1543506572 MRSUAMKADIUMRJ-INIZCTEOSA-N 440.504 0.937 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2CCS(=O)(=O)CC2)c1 1555987061 XJDGBNRHLQXAEG-QGZVFWFLSA-N 428.518 0.953 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)cn1 1558226496 NPEFQEMUYVJFAN-GOSISDBHSA-N 440.891 0.929 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1670589264 UISNJFBQFQZXGK-KRWDZBQOSA-N 431.536 0.570 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1692676777 UIERJRSMJSCHSR-PZPWOCDFSA-N 428.493 0.969 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696057738 PZDAIAOESHLXBK-OALUTQOASA-N 432.460 0.525 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1770738648 MZJIOFGJVXNMPC-INIZCTEOSA-N 439.476 0.883 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779104292 IDZHIVFGDRRBGD-PTXHPZSESA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779428569 OOGNDOQEXAZJGV-AFYYMGMLSA-N 436.509 0.165 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cn2[nH]cnc(=O)c12 1780020327 NIHPYJQACXOLOP-QHCPKHFHSA-N 446.467 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780354563 QPAIGDHGLWKJDJ-OAQYLSRUSA-N 433.509 0.986 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1NC(=O)C3)C2 1782015603 VFJWOHFUMQDKJF-OPAMFIHVSA-N 425.441 0.397 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782558455 JKRFEBIPFWUBCX-VGOFRKELSA-N 429.521 0.200 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c(Cl)c1 1784116015 HHIWONPYTZGRAX-NRFANRHFSA-N 442.859 0.580 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1785572885 QISNBDKRYLIUJJ-BTYIYWSLSA-N 446.508 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787012068 AAPCKBPYLFVCCL-FHWLQOOXSA-N 432.521 0.842 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152406 NWYRJKMKXNVXQT-WSMBLCCSSA-N 436.534 0.644 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc(CO)on1 1789377522 BSWXSQWMLXYSIV-IEZWGBDMSA-N 431.489 0.459 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790330787 VXJHFQFSZWXIES-IEZWGBDMSA-N 438.488 0.554 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1792631565 OKLNAFJNWLTIHM-HGKCTWBKSA-N 427.505 0.671 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261206 AWONPIZXMNANMM-AXVVYFOYSA-N 435.521 0.265 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1)c1ccc(O)cc1 1794593948 PFQZVGJACKMOBW-DCXXXQMHSA-N 437.500 0.921 30 20 ICED COc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)ccn1 1795598536 ZTYCYCAAARBDAL-RMFSNUHRSA-N 443.548 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1796027185 HIQKSYZESRJDKG-UYTYNIKBSA-N 436.553 0.905 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780928 OSPMRXXMYNXQQR-OPVJXMOQSA-N 433.549 0.437 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1797818607 VQPZGQBBUKCSOJ-OMUVKIBWSA-N 445.520 0.633 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1799334767 VFNZXICGSJNPII-XIKSMUEASA-N 445.516 0.828 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Br)cc1O 1799476933 MEBHHOHBNUBCFF-YQYWCBKUSA-N 437.246 0.446 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800030251 QOIPUOHPGVJDFG-HIRMHNASSA-N 427.501 0.958 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)cc1 1800387418 QENKVVYDWOMFIU-JTJHWIPRSA-N 445.541 0.658 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c(C#N)c1 1801070155 RPEHYLVVWQOBLC-YDGKCNFYSA-N 440.500 0.225 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1808426456 KYSXRHIJAYHJKE-YLJYHZDGSA-N 445.520 0.868 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CSc2ncccn2)[C@H]1c1cccnc1 1812880170 YCIFUYBLOFSWLT-KXBFYZLASA-N 425.470 0.758 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3nnc(C)o3)sc2C1 1815480237 KLJPSTQVACSUJC-ZHRWSRJISA-N 430.490 0.848 30 20 ICED COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cn1 1822200430 IXXKUDYIBYBOFZ-OAHLLOKOSA-N 425.401 0.985 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829050303 MKAXJBCSAAHFRD-HZUJVAHNSA-N 449.577 0.043 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829743883 OBLOIWANEOJARE-LAUBAEHRSA-N 438.521 0.503 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830861617 ZZQMVFOTZYDDLD-GMAHTHKFSA-N 429.517 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1831387020 DAOYIHNYMYDHPY-WZONZLPQSA-N 446.500 0.569 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831481904 BVDKQOHUWMGBIK-GUYCJALGSA-N 429.568 0.604 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)CC1 1833030230 QGYDUJNSQIPQSM-FQEVSTJZSA-N 432.502 0.238 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccnn3)CC2)CC1 1835890855 ASNIERUUSCAMKJ-WAYWQWQTSA-N 426.521 0.520 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1)n1cnnn1 1836287815 XGIOSNRYCLDNAZ-MRXNPFEDSA-N 436.520 0.991 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848302 MLHSADXLEJTIMH-IIBYNOLFSA-N 444.492 0.600 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1837397684 RXTDZTKCBYWQEA-XOBRGWDASA-N 438.550 0.677 30 20 ICED CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490453 FJPFOJHVBGROFW-WMZHIEFXSA-N 436.549 0.955 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cn1 1837524221 CBIIHYCXVLMINZ-KDGIGMFRSA-N 447.492 0.384 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524340 FZJJVPGNMASGNP-YRPGDMADSA-N 435.481 0.019 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cc(Cl)ccn3)CCO2)C1 1837655283 BMODZVOXMOVKGA-SCLBCKFNSA-N 429.926 0.889 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3ccccn3)CCO2)C1 1837737956 KGPDVSOFGCDEIO-NJNPRVFISA-N 430.505 0.377 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598077 MKLHGYUYZVMGIG-HXUWFJFHSA-N 434.880 0.418 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839003963 HOSYHXCGDZGFHX-LXHZQTKUSA-N 449.454 0.893 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839038468 KHFPWDUFMHTHLC-GMAHTHKFSA-N 445.491 0.873 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049580 KZUKPHHQMLZHIX-HSZRJFAPSA-N 439.516 0.922 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839072587 KVFXSQADUZKXJZ-OAQYLSRUSA-N 436.509 0.660 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105212 URGBNRPGDOGJOM-OFNKIYASSA-N 434.581 0.272 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1839222663 VVMHCMXVNSXKAL-SQGPQFPESA-N 425.526 0.795 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839227604 VLZFBBFSJIWEHY-QKLQHJQFSA-N 436.513 0.172 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839227817 ZDUAEBWCJHWRRR-KMYGJPJSSA-N 434.493 0.956 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1839801370 ICVWPUGLXNJJIQ-NRFANRHFSA-N 434.514 0.112 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1839842509 XMYRDGQRKMILIL-KSFYIVLOSA-N 445.520 0.299 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(Cl)c3)C2)C1 1840039671 CMNDQZBNXBHBMX-HXUWFJFHSA-N 436.848 0.263 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345601 XTZNMOJKSGRHTK-DENIHFKCSA-N 434.537 0.938 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800513 KMRSEFAJUDJZEV-QHCPKHFHSA-N 427.501 0.676 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1841224271 BMGJWCFYHQPYPK-BEFAXECRSA-N 435.484 0.883 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)cc1C#N 1841849165 FAPKTNCOEGUXNT-UHFFFAOYSA-N 439.472 0.714 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)cc1C#N 1842948277 HJWKEZJIGVCFIB-KRWDZBQOSA-N 427.505 0.755 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1844725703 YLKCQKVNKHGWJX-UHFFFAOYSA-N 434.456 0.638 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)CC)C2 1847069574 NQZVNEIDNHCRLB-OAHLLOKOSA-N 441.550 0.541 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NCC=C)C2 1847070315 MGZFCDROPNNVRE-MQNTZWLQSA-N 444.532 0.965 30 20 ICED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 30595574 PCAICWORQBOVSI-UHFFFAOYSA-N 448.505 0.032 30 20 ICED COCCn1c(N)c(N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc2)c(=O)[nH]c1=O 109093456 MEERDYCHVFCDOK-QFIPXVFZSA-N 442.520 0.826 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1=O 110086093 OUQASHWPXXKQEP-JOCHJYFZSA-N 435.440 0.506 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 410151674 RLTBJDVRDKGDDM-KRWDZBQOSA-N 426.495 0.506 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1 427657973 UHBMXIGOOSBHCP-UZXVTOHISA-N 447.470 1.447 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 428788654 XACGZMUFCXSORX-MAUKXSAKSA-N 443.529 0.801 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc2n(C)c1=O 436463671 ZWIDTOYPRKLXOK-ZWKOTPCHSA-N 446.467 0.869 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 440988009 QHKJHFJVPOZROZ-QGZVFWFLSA-N 439.472 0.836 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441928919 OYEOGWNEGRPLHF-HNNXBMFYSA-N 431.539 0.370 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C)nc(C#N)c3C#N)CC2)cc1 442910445 DIIVPRHQRHKVGY-UHFFFAOYSA-N 442.501 0.867 30 20 ICED Cc1nc(C#N)c(C#N)n1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 442912303 MGRGREVWMMLPCB-UHFFFAOYSA-N 428.474 0.272 30 20 ICED N#CC1(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN(Cc2ccccc2)CC1 444345077 RKOQPWBZCLPRFD-UHFFFAOYSA-N 441.513 0.947 30 20 ICED N#CCCCn1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c2ccccc21 444823162 CUTWUISNXCKSGU-UXHICEINSA-N 430.530 0.861 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461367386 RVNKKFUVPHLGKM-UHFFFAOYSA-N 440.525 0.856 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@](CO)(c2ccccc2)C1 464023284 MJIVVRBDUYPGGI-QHCPKHFHSA-N 430.468 1.549 30 20 ICED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)c1C#N 467205858 JFXXXCCORKBKFA-UHFFFAOYSA-N 445.457 0.470 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478859406 RSRHPIYBMBLLRQ-UHFFFAOYSA-N 441.488 0.520 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480949870 IBCPHQRBMIHYIM-HNNXBMFYSA-N 442.522 0.806 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@H](C#N)c2cccc(Br)c2)n(C)c1=O 496291573 PCKVYLSVJSNJGF-GFCCVEGCSA-N 431.250 0.577 30 20 ICED Cn1c(N)c(C(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)n(C)c1=O 500613251 WQJIASYMLTZTOP-UHFFFAOYSA-N 433.472 0.091 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 502558613 CIHMWTKFZVDSRQ-UHFFFAOYSA-N 435.550 0.557 30 20 ICED CNC(=O)Cn1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 503839153 FEUNQISICRXECR-UHFFFAOYSA-N 444.517 0.849 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 510237773 PLGKRTVQAVPIKQ-HNNXBMFYSA-N 429.568 0.191 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccn1 515087264 GTSYROYJNCUDCG-UHFFFAOYSA-N 437.504 0.254 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)n1 519038986 UTZJRFPHHZYNIZ-SFHVURJKSA-N 445.483 0.960 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 526094234 KUJFEQKXOLYHBH-UHFFFAOYSA-N 449.533 0.140 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 532995555 LILYQNKBOGQAPL-UHFFFAOYSA-N 440.504 0.701 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 534548554 RTBKLXAMJFTNBT-UHFFFAOYSA-N 425.507 0.663 30 20 ICED C[C@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)NC(=O)NC1=O 537254039 JEROORHXSJYACV-HRAATJIYSA-N 444.561 0.767 30 20 ICED CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 557487117 QSTNMBBJHCXYAO-GOSISDBHSA-N 437.504 0.242 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)c(F)c1 559600974 KXWIFDHEMNXTMA-UHFFFAOYSA-N 427.480 0.863 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c1=O)CCC2 563858758 DZOAXBMOZUWYFL-UHFFFAOYSA-N 426.498 0.742 30 20 ICED CO[C@H](C)c1noc(CN2CCCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)n1 578338851 AWTFFSKJOKNBDG-OAHLLOKOSA-N 426.477 0.999 30 20 ICED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 579888446 XKUFGIINDSIPII-UHFFFAOYSA-N 431.526 0.417 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](CN4CCOCC4)C3)CC2)nc1 587655018 XBOFJLRDNBKFGK-IBGZPJMESA-N 440.548 0.609 30 20 ICED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588124713 HHSWPZIEOJOSRN-LJQANCHMSA-N 427.549 0.840 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 589391037 ANFAPXIAXCCZTE-UHFFFAOYSA-N 439.457 0.302 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)cc2)c1=O 604270249 JHNXQWSSBFEJAX-UHFFFAOYSA-N 430.917 0.433 30 20 ICED Cn1c(CCC(=O)N2CCO[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 609269107 GUIUZIQEZKENAB-OAHLLOKOSA-N 447.517 0.278 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2)CC1 612270289 HESMZVWYLPFPNC-HSZRJFAPSA-N 440.548 0.988 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 727408331 ZITZJSUGLJTEAS-CQSZACIVSA-N 435.527 0.997 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1 735591446 WZRSUXIKOZCZOM-USMQXWLVSA-N 435.550 0.894 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 758051263 LEVDSZPXSDDQBD-CQSZACIVSA-N 435.505 0.680 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnc(C3CCC3)s2)c1=O 758075604 JDNDFFNCOZKRHU-ZDUSSCGKSA-N 442.566 0.921 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2csc(Cl)c2Cl)c1=O 763006545 HSKZACLWTSPZHC-UHFFFAOYSA-N 449.366 0.854 30 20 ICED Cc1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1CCC#N 768076800 IGDLZWADZYWCFX-UHFFFAOYSA-N 447.496 0.239 30 20 ICED COC[C@](C)(CNC(=O)[C@@H](O)c1ccc(C#N)cc1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 780943060 HMYSQAXEGABSLP-JTAQYXEDSA-N 436.468 0.834 30 20 ICED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782129201 CYYUSIQDEBJROR-UHFFFAOYSA-N 443.485 0.538 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 782988186 YSAYWQDZQOOTOH-UHFFFAOYSA-N 446.366 0.732 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)c1C#N 788476388 NIMNNQAPYKDILL-SFHVURJKSA-N 438.467 0.508 30 20 ICED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)C 799045823 UITSUBATPNTATF-LJQANCHMSA-N 435.546 0.932 30 20 ICED C#CCN=c1nc(N2CCC[C@H]2c2nncn2C)[nH]c(N2CCC[C@H]2c2nncn2C)n1 804586810 BYBPHFBABHNTCL-GJZGRUSLSA-N 434.512 0.279 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)nc1 805408568 YVMSKTVEOAROAW-SSEXGKCCSA-N 425.514 0.667 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 807660265 LFPFKMAEHJDAHE-LJQANCHMSA-N 427.549 0.526 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)[C@H]2C1 815704976 VAKPHDGIAWLGHG-SAFRBZNGSA-N 433.534 0.600 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3C[C@H]4CCCCN4C3=O)CC2)cc1 1229664587 YCLFUPYINYYAHQ-AEFFLSMTSA-N 431.518 0.728 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1286537099 WGZQCJGGPKWNDZ-NSHDSACASA-N 435.348 0.465 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1314144284 ZTFLFVUMDNEFLN-HNAYVOBHSA-N 441.554 0.872 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314675449 ORDKHIVJTSRIQP-INIZCTEOSA-N 432.554 0.352 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)CCO1 1316540796 OFYIAIRRUXHREK-MCIONIFRSA-N 429.593 0.758 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1319480032 ZSWPUNGNLOUGSJ-UHFFFAOYSA-N 431.489 0.876 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1492605746 LTYVOSADECCDKB-LPHOPBHVSA-N 449.512 0.805 30 20 ICED CN(C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1503401065 VVLPSSNQMQMWFC-RBUKOAKNSA-N 439.520 0.947 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1503764041 UEUMUFCERUIZNC-UHFFFAOYSA-N 437.504 0.638 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509779226 MCJQJBZPBVSIFZ-QGZVFWFLSA-N 444.565 0.844 30 20 ICED Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1543085671 VVZZMIUGFVTESJ-CVEARBPZSA-N 436.542 0.521 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1589395705 ZCADTMXHDRBOCP-GFCCVEGCSA-N 427.303 0.433 30 20 ICED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCN1C 1629590986 LJNNSERYEPIXRW-UZLBHIALSA-N 433.578 0.709 30 20 ICED N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1661979485 YKIRIJWSXPTYCR-LBPRGKRZSA-N 437.341 0.657 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1711414655 MUZDNNRPVWKOGI-IBGZPJMESA-N 449.512 0.815 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1748107375 VPYWSAVRBWRREC-HNNXBMFYSA-N 425.493 0.494 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1750390574 SAZHRPOIWMWEPZ-HOTGVXAUSA-N 441.579 0.745 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCOC1 1767483773 PBNPLNGWNFFOFZ-CBGDNZLLSA-N 448.524 0.154 30 20 ICED CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1767695590 IRVDHAOTIMIZIP-LSHSLQSTSA-N 427.502 0.552 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@@H]1SC(=N)NC1=O 1778078414 TUGIPEZIVNESPM-BHOPFYFBSA-N 432.546 0.716 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)CC1 1778257256 HWGOBCWKRFOZSN-XMMPIXPASA-N 439.560 0.568 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1)C(=O)O 1780802624 XKSGUAVUXAHJEM-UIVXKWKOSA-N 426.514 0.364 30 20 ICED 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 1781115801 UMXCZJNZJRQBIR-DSEONOSFSA-N 443.566 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1781271466 SRGXWRZYHCGTCX-QFIPXVFZSA-N 430.505 0.862 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCOC1 1781308424 NIUQGXQQGDMATI-PKTZIBPZSA-N 447.532 0.914 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)c(Cl)c1 1781967836 ANLJKKBBRMFWMP-YWZLYKJASA-N 445.863 0.253 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(O)n1 1783169274 BXRAPUZZMHLZFI-QRQCRPRQSA-N 430.505 0.874 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1C#N 1785631404 BNQBIYKBIGBVAT-OAQYLSRUSA-N 429.477 0.457 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858263 QQYPVDPXWFTKHW-ULQDDVLXSA-N 436.553 0.980 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C[C@@H]21 1790788835 GKOIBLDRIPEAHC-IUUWJXCHSA-N 449.548 0.607 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1793598635 ARQMWPNIGYOONK-XGUBFFRZSA-N 435.481 0.742 30 20 ICED O=C(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)C(F)F 1793703135 PUYVAPOJUWEEQI-KVSKUHBBSA-N 442.259 0.832 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793821313 PRGMSWHVECFGJV-HBCWATKFSA-N 429.502 0.212 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cn1 1795598161 JBLWXWAOHXILOV-ALXJQNPVSA-N 443.504 0.353 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc(C)cn2)c(C#N)c1 1795886986 RRAHSAJZOMVCFY-BBIADKPPSA-N 437.500 0.904 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1797812392 SMMFHFGEKKLSQF-ZMFDXNJKSA-N 442.476 0.462 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccc(F)cc1 1799048131 JBJZEYIYEAEXCI-HOXSDCPRSA-N 445.491 0.572 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1799390187 GXVDYTNLYVNVOH-YFKTTZPYSA-N 441.378 0.732 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)ccc1F 1801348006 OLEWWTMNXRBFCH-FAQVEIGNSA-N 439.447 0.698 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1801532691 ROVZHGPGGKXEMX-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED Cn1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)cn1 1801992450 LDFODSNGETYMSP-BBIADKPPSA-N 437.500 0.893 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1803450793 QUHIOAVXGCPTNR-OXJNMPFZSA-N 431.456 0.546 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804171406 VVTLZCOYTOGBBT-HNAYVOBHSA-N 431.518 0.558 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804355793 VTCWWOQVHFMVCD-KBEGMRNHSA-N 444.492 0.486 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806282329 WWKRCJXXYJICSU-XYJFISCASA-N 431.493 0.887 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810090866 ULIBPOSJQDYFBZ-MYZZLAAOSA-N 432.477 0.190 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CCC2)[C@H]1c1cccnc1 1810093980 HSLHVOLYILMAFO-XYJFISCASA-N 429.477 0.846 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810244027 BMQKKVOTMTXFMA-BXWFABGCSA-N 443.504 0.212 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810335060 AXOBUOJJHQDVDT-CMKODMSKSA-N 430.461 0.886 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1)C(F)(F)F 1812682466 QFDRLRYRHVALDW-HIFRSBDPSA-N 442.394 0.749 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1815198246 CRECJQYWOMQLLE-JSGCOSHPSA-N 425.449 0.643 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818799961 NRJYVMFORDYKHJ-RHSMWYFYSA-N 435.594 0.876 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](NC)C(=O)O)[nH]n1 1820894236 JWCRZXFPRVLILD-HUUCEWRRSA-N 435.481 0.974 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCNC(=O)c1ccccc1)CC2 1825675199 MCJMRMLEOUPCSJ-CQSZACIVSA-N 440.481 0.963 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CSC)C2)C1 1829762352 HCFDHJRESNOJGD-IZRJCCQOSA-N 439.578 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1829762727 PEYDOUVTHLRAAR-YXSMGJEKSA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1829768798 IMRBDNGZMUKNDU-DYRFGFBLSA-N 449.454 0.893 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1829776470 BFKBTPXTJBWDSX-VKUXZERMSA-N 437.562 0.444 30 20 ICED O=C(NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccc[nH]1 1831209528 NFQYVDUCRBTBFB-JOCHJYFZSA-N 428.489 0.004 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831388273 WNLRJYWUJXCTCL-DHJUGAMNSA-N 444.484 0.321 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1832294227 WYSPQQYWDPVVTF-OXQOHEQNSA-N 426.514 0.112 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1833706594 DZUDVCKAWVRYSG-UHFFFAOYSA-N 435.598 0.810 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834531533 DRDCDRXVHZFRQJ-GOSISDBHSA-N 426.420 0.767 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)c1 1837168944 CAGDTTRKJICYSD-OAQYLSRUSA-N 435.444 0.313 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3Sc4ccccc4[C@H]31)CCO2 1837475694 SDZYNVMXOMZBGF-XWUOBKMESA-N 442.493 0.419 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccccc1 1837616722 MQBOZFYZTVWJLQ-PTLVVNQVSA-N 441.528 0.775 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1837646949 GCIPOXUFUIQRFR-HLIPFELVSA-N 436.513 0.172 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1838580433 BMJYKQUJPKUDIF-JOCHJYFZSA-N 437.456 0.741 30 20 ICED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580624 NXGLQMJLJVWKFK-QFIPXVFZSA-N 447.488 0.300 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CC1 1839082971 LHPPIAAWYZJMNP-JKSBSHDWSA-N 430.505 0.148 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839223823 JEIJCXVGOCBSPS-KUHUBIRLSA-N 425.461 0.728 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1839993476 IWQISQRMRRROHD-CVDCTZTESA-N 426.469 0.336 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840172003 KZMUOHBEYVZNIS-HXUWFJFHSA-N 437.518 0.272 30 20 ICED O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)C1 1840832477 ZSFREZJCRQKQKW-YEFOHOTDSA-N 432.498 0.923 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1840842009 IDKFPVHDPIXBID-FQEVSTJZSA-N 432.433 0.482 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2ccnn2)C1 1845816850 RGMMKZRXQVVNKF-JKSUJKDBSA-N 430.509 0.959 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCNC1=N 1847940341 SZUGUHLTPCLBHL-PMPSAXMXSA-N 434.541 0.498 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 15527649 XSLQIOOUKPDFND-UHFFFAOYSA-N 430.461 0.960 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1=O 19318050 BJBBUJOUVFWRCA-UHFFFAOYSA-N 441.488 0.664 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)cc1 111223614 NPVNFMJGIKCZBV-NRFANRHFSA-N 447.605 0.994 30 20 ICED CN(Cc1cn(-c2cccc(Br)c2)nn1)S(=O)(=O)N1CCO[C@H](C#N)C1 410423523 CECGQQSTSZUIDA-OAHLLOKOSA-N 441.311 0.931 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)cn1 436564564 PYDHFEBYTFWIKZ-UHFFFAOYSA-N 445.439 0.768 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)Cc2cccnc2)CC1 477293452 CWNZHEUJDZXFSJ-UHFFFAOYSA-N 443.529 0.281 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n(C)n1 487492334 PBXDFYJHRBJSPM-MSOLQXFVSA-N 435.488 0.806 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccnn3C)c2=O)c1 488983647 OVOZNGDWXGKMOD-AWEZNQCLSA-N 436.493 0.750 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 500018135 WGCOGLMHVIMXQV-SFHVURJKSA-N 438.525 0.377 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C)c1=O 500543640 GBIDDXKOYKPPCN-UHFFFAOYSA-N 446.485 0.409 30 20 ICED COCCN(C(=O)CN1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 514001772 NSCAKVSHQKREMF-QGZVFWFLSA-N 438.525 0.481 30 20 ICED CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 532667545 NHKFEWKSWAIRAS-INIZCTEOSA-N 445.463 0.408 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)nc1 557473942 GEISHZKTCKVSJZ-RTBURBONSA-N 427.505 0.646 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 557641451 YYJITQDVCQONDO-AEFFLSMTSA-N 429.521 0.497 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 561788116 ZLENLWCEIIJYEO-IBGZPJMESA-N 444.555 0.878 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 564115458 NJZKMIIGLSESEM-QGZVFWFLSA-N 438.532 0.804 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 583343641 DPHOVAUVKRAVKE-WDSOQIARSA-N 437.500 0.687 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O 608910889 VKESQXZMQQFBPG-UHFFFAOYSA-N 428.514 0.210 30 20 ICED N#Cc1ccc(CNC(=O)C[S@@](=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 609362791 AWUJTURSNNOTFY-GDLZYMKVSA-N 448.526 0.398 30 20 ICED CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)C1 610531439 IWQKXIWFMVSXPK-LJQANCHMSA-N 436.520 0.375 30 20 ICED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 619506629 HVPBEUGQMXQEBE-AWEZNQCLSA-N 433.896 0.542 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2)c1=O 684535505 QECYDVBHPZKHKY-MRXNPFEDSA-N 425.510 0.497 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 728572474 GEKJMLKQHUTHAW-UHFFFAOYSA-N 428.537 0.319 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2(O)CCOCC2)CC1 729024898 WQFUXJXWMRIUEO-UHFFFAOYSA-N 430.417 0.540 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H](C)CS(C)(=O)=O)C1=O 735224013 JYERNNKBDAMPHF-QMTHXVAHSA-N 427.504 0.916 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC 744598295 WWHPWGBINFPLIQ-YEJXKQKISA-N 428.445 0.929 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 747993384 JCMPTGJAMMUBHJ-UHFFFAOYSA-N 448.545 0.642 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)ccc1F 748552982 XTLGIUWAEXZNJM-LJQANCHMSA-N 438.481 0.740 30 20 ICED COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 754941074 SDQMMAKBJZEEOF-UHFFFAOYSA-N 425.493 0.682 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)C1=O 755866612 LPTZIEFUWDQOBU-OAQYLSRUSA-N 438.492 0.616 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OC(F)F)c1=O 758056815 XBISEFPSXWTRBW-UHFFFAOYSA-N 447.463 0.800 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(Cc3ccon3)c2=O)c1 763458330 QZZSMTFLJBJILM-UHFFFAOYSA-N 441.538 0.363 30 20 ICED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccn(C)c3)c2=O)c1 763460452 JAOWAEFXTZHJHP-UHFFFAOYSA-N 447.520 0.978 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)cc1 765472434 QBDUXCOSMUFSMR-RCCKNPSSSA-N 437.503 0.794 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 767628088 PETKRXUSHLXYCR-LBPRGKRZSA-N 448.482 0.790 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 780061648 SZMFBZRWNQSBFR-CQSZACIVSA-N 447.473 0.578 30 20 ICED COc1ccc(N2CCN(CCCNC(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 785527679 CDTBPQKBRYCXRY-UHFFFAOYSA-N 442.564 0.428 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc3c(c2)NC(=O)CO3)CC1 788715208 CHIWTGRDCOBQCC-UHFFFAOYSA-N 430.490 0.795 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 793935918 GSVKEOHHTWFNBL-CYBMUJFWSA-N 430.490 0.267 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 806710537 RWRMTCOYKDFHFG-IBGZPJMESA-N 428.489 0.241 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 809309925 PUXNZADQOJKXAR-HOTGVXAUSA-N 441.456 0.095 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 813580898 OBZXZJGGEUYTMD-UHFFFAOYSA-N 428.518 0.904 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 838265717 WIAPMIXIUVCVFX-UHFFFAOYSA-N 435.509 0.524 30 20 ICED Cc1nc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)n[nH]1 1144402731 JJZFJUUPIQACSW-UHFFFAOYSA-N 443.533 0.734 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCO1 1286943055 RMPDXRCHYJHMTI-KRWDZBQOSA-N 432.506 0.203 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286969775 RLPSSTLNTRBKSV-ZTQAJYAQSA-N 447.517 0.936 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1315937340 VXMJNJAHYAXSBH-QAPCUYQASA-N 448.549 0.948 30 20 ICED COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1525127664 ZKJIJANOCQSUEF-HOTGVXAUSA-N 446.508 0.854 30 20 ICED Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1543411033 WXVUASQQSTYHKM-BLLLJJGKSA-N 437.526 0.860 30 20 ICED N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1731182054 KJARMSNYRXLMJM-WOJBJXKFSA-N 449.508 0.891 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1741945631 UWGHEYJSCUFCLL-JKSUJKDBSA-N 439.586 0.882 30 20 ICED CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCOC1 1748496797 SZASQNZFRKPSSX-IBGZPJMESA-N 434.522 0.608 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779103718 XSPPOMZOIDNMJE-GAMXZPBPSA-N 447.492 0.638 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779363499 AKCCDNZHDXNFHR-XMEVSZALSA-N 433.553 0.498 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1780176278 QZCRINQVXVMBOR-QFIPXVFZSA-N 437.456 0.879 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781754987 CWZDZJUQGSMEHS-KOIKXXGWSA-N 426.473 0.087 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781757281 ASWBWWPKAOKBCL-DEOSSOPVSA-N 439.512 0.928 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1782060851 LDSGVJDHPVNYMS-VXKWHMMOSA-N 429.473 0.926 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197733 CRLSCNHZJNOJCR-HXUWFJFHSA-N 445.501 0.313 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782666602 NYTSPFQXXCSLIH-JOCHJYFZSA-N 437.456 0.267 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c1 1782973209 BOEGJFLEIXVXCJ-QXATTWAWSA-N 426.521 0.924 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)[C@@H]1SC(=N)NC1=O 1783123330 TXBUWWVSQKVMPZ-VKQVCWQJSA-N 447.561 0.997 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1784373693 UJOWZMKLFFGVKC-FPDPHYFHSA-N 448.524 0.088 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1784493150 NKFDJCXJSCGVCL-ULQDDVLXSA-N 426.583 0.433 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643059 DOTHDXPPHLPIDE-ZLTNTPEESA-N 432.477 0.689 30 20 ICED N=C(N)SCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786778898 XBZMPEDYOWSLPX-LQGALOSXSA-N 427.527 0.122 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1787421750 MSUWCOZDOQXDIG-QAETUUGQSA-N 436.509 0.516 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659900 ZLCQQIDLFCCUSE-MQEYVLPFSA-N 438.525 0.267 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791558132 VMNBPLJUAWNQKA-KKUMJFAQSA-N 437.522 0.386 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1793349087 GKLVZLCPGQQGPI-BDLOOMQFSA-N 438.550 0.361 30 20 ICED 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)NC(=O)c1ccccn1)C2 1797710101 GEKRIEXSPUOGLI-KWWJQKEASA-N 444.532 0.363 30 20 ICED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798492581 JYECICSEAUYKRA-PBVTYWRASA-N 432.477 0.469 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1799302089 XCICUYUJZDWGGV-FAQVEIGNSA-N 440.500 0.976 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1cnnn1 1799327587 ZUEJNFSGMUDQCH-ZSKVKKPNSA-N 427.440 0.077 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)cc(C(F)(F)F)c1 1799785059 ZJNDMNGTFPMBEI-YWVIFJGQSA-N 438.410 0.263 30 20 ICED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799830828 OYWOXACJWWEKCJ-MUJYYYPQSA-N 442.541 0.893 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)c(O)n1 1800520548 GIUXZKCORJTZCC-ZTENYAIWSA-N 428.489 0.245 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1801164393 LAECCDXYNKGCAG-MFCZKXCZSA-N 442.516 0.776 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc(OCF)cn2)[C@H]1c1cccnc1 1805034734 RRAKLGPTPDWQKJ-IFXJQAMLSA-N 427.392 0.585 30 20 ICED CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149395 FTHWEBARUDYGFC-ICSRJNTNSA-N 428.537 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)no2)[C@H]1c1cccnc1 1810975237 ALZNJHIDUFFXIK-PGHKVSDBSA-N 425.445 0.953 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CNC3=O)CC2)c1 1824904146 SNTKGYVUQSGMSY-KRWDZBQOSA-N 426.477 0.671 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825199973 UQZKMDRQAKNQCT-KGLIPLIRSA-N 430.530 0.890 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825253762 BCMNXUPKSGOEAP-ABAIWWIYSA-N 430.477 0.917 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3snnc3c1)CC2 1825669858 UHXKOHQEIRFNGA-VIFPVBQESA-N 428.455 0.857 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828584918 PMLVKMOGAQQWFR-FDDCHVKYSA-N 444.532 0.988 30 20 ICED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCN2C(=O)OCc1ccccc1 1829034885 BJBASHAEEDNJDM-OAQYLSRUSA-N 437.460 0.784 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1829355659 CCQLTPZYIXDFPR-JOCHJYFZSA-N 443.504 0.683 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1830742666 KEMOUFAKVNJWSQ-MDOVXXIYSA-N 445.582 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831396448 MPTFMSRKSIRDHV-VGSWGCGISA-N 430.505 0.328 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1831405661 GGCYIBLVIZINPI-NRFANRHFSA-N 425.526 0.294 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831420323 WPENAHDHHBVGKV-KSFYIVLOSA-N 446.504 0.701 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1832452071 RPEFXQKXSCWUMF-IBGZPJMESA-N 438.575 0.944 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccoc1)CCO2 1832641658 KHGVZUFLJYKRIM-GFPNBSSHSA-N 429.473 0.608 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677090 SYEBDTIXMOGVMI-GCJKJVERSA-N 433.505 0.490 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390115 MXPLJSRMUQVNRE-LJQANCHMSA-N 440.447 0.668 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833468021 INOGEFBFMZQQOT-TUYSUELWSA-N 430.549 0.431 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903259 SKODHWLKBRXZCJ-KKSFZXQISA-N 436.509 0.384 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834028822 ZXYSUWZUWMDEJB-SNLHJCLZSA-N 433.465 0.076 30 20 ICED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518251 DDHLFGCSWULYGS-UHFFFAOYSA-N 426.517 0.966 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834716130 FHRBJRYNFBTCGW-KRWDZBQOSA-N 446.596 0.531 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835302292 XOVJRSVPBBVPOH-AUSIDOKSSA-N 440.500 0.226 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(-c5ccccn5)nc4)C3)C2)CC1 1835340852 HMXIDYXUSWMEJP-HSZRJFAPSA-N 448.483 0.912 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1835680437 IANNZODRCWUJIC-QFIPXVFZSA-N 432.521 0.950 30 20 ICED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1836062066 GKSYUXRMJHSUJM-XZEIMLRBSA-N 429.477 0.131 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2)c1cccs1 1836167109 JDXDPSZIWJTYKF-KTBYTZPXSA-N 444.513 0.840 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836371301 NHDSREBMRDSHJU-UXHICEINSA-N 449.640 0.785 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836880892 PXKUWEZJLGLUSF-SJLPKXTDSA-N 428.599 0.532 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837078661 ITIMACXIQWOEOM-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837088833 QBRTUSLPKSJYJE-JOCHJYFZSA-N 432.521 0.882 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1837392637 GHWWBWVYFYNPES-AVRDEDQJSA-N 435.521 0.863 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837433664 FFFQRNUSDOOOOD-XMMPIXPASA-N 439.512 0.886 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837566996 ZBNAYLGUBCMOOL-HOGCTVLVSA-N 425.445 0.668 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](C)S)CC3)CC2)CC1 1838300828 FAPQDSVWSMLZAD-MRXNPFEDSA-N 440.610 0.467 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838534316 LVYFVPXFNGVYPX-HRAATJIYSA-N 434.493 0.256 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(O)c1OC 1839378296 ZMJOPRPAPLRRQG-ZUOKHONESA-N 440.518 0.798 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnccn5)C4)C3)c2c1 1839487471 KAUPFWWBNGBKGW-QFIPXVFZSA-N 447.455 0.608 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)c1ccccc1 1839859676 YXDILIRSZWUSND-XUZZJYLKSA-N 441.528 0.776 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1)C(F)(F)F 1839893214 OQIJEWPHZNCRTA-MRXNPFEDSA-N 432.355 0.076 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812132 ANCJWVXLQYIOFI-YVHKJVDXSA-N 433.505 0.726 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840840405 QRQSYOMNPONXMX-MBSDFSHPSA-N 431.533 0.647 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)ccc1Br 1842880950 SGGGOWOYFADDAY-HNNXBMFYSA-N 448.321 0.731 30 20 ICED CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)cc2C1 1845726460 PPAUGQYGQQRLKS-UHFFFAOYSA-N 427.553 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@](C)(O)CN2C(=O)OC(C)(C)C)C1 1846229657 PIUZJTHXGITAGM-HOIFWPIMSA-N 449.548 0.989 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 26879753 ZSOFIPGIFXXQOO-UHFFFAOYSA-N 439.453 0.235 30 20 ICED CN(Cc1ncnn1CC(F)F)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 427914946 IJLQUBRCYPSVBW-UHFFFAOYSA-N 432.366 1.337 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 433651333 UREKIMOBVJKCRS-INIZCTEOSA-N 425.493 1.003 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435485580 BAZVRUKSTVMRKT-UHFFFAOYSA-N 429.477 0.479 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCOC2)c1=O 441931086 GJNWFXWHIVTERH-CQSZACIVSA-N 427.530 0.242 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCOC1 441954475 PLSXENQTLHETNO-MRXNPFEDSA-N 439.537 0.909 30 20 ICED Cc1nn2c(SCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)n[nH]c2nc1=O 444403022 FZWBJPIRXFPZJT-HNNXBMFYSA-N 442.480 0.761 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(Br)cnn2C)c1=O 447265799 ILTCVVKEUBSLEQ-SNVBAGLBSA-N 437.319 0.534 30 20 ICED Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460583246 FQHQHKMTRPOOMC-QGZVFWFLSA-N 434.456 1.250 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480287786 MBRRGIUWMLYDMU-CQSZACIVSA-N 428.470 0.636 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)c1 488053259 FSZFFXZDMQNICB-UHFFFAOYSA-N 443.550 0.313 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 488984007 NNXWZHVZUIDWNY-KBPBESRZSA-N 425.466 0.520 30 20 ICED COC(=O)CCN1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1=O 501147437 RBZYFIOZBYZQLT-ZDUSSCGKSA-N 430.280 0.763 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1CCC#N 504132237 VXWNATRJFSICNG-UHFFFAOYSA-N 438.444 0.757 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505429782 UEALLXXRSMKNTI-MRXNPFEDSA-N 433.490 0.257 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCCO2)c1=O 505700383 OUQAEOPUIZILTD-HNNXBMFYSA-N 429.546 0.549 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 507062561 WFNBPYVBCXPSFA-CYBMUJFWSA-N 436.412 0.834 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 509584155 PTSRSMCPKJDROB-UHFFFAOYSA-N 448.526 0.401 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 511908415 WPFCNWXKRXCLSQ-UHFFFAOYSA-N 434.305 0.649 30 20 ICED C=CCN1CC[C@H](N(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1=O 513047782 VKSMUIFIVANBEX-KRWDZBQOSA-N 437.522 0.754 30 20 ICED CC(C)COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 520721328 MSNBYAQNRNTFAD-UHFFFAOYSA-N 427.526 0.843 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 532059421 OSLLJLCHPOAEDW-CQSZACIVSA-N 442.501 0.736 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 542012829 KXSDJBDMBHUICE-SNVBAGLBSA-N 434.499 0.869 30 20 ICED N#C[C@H]1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 542504736 VLUVFWRKEIGFMB-JSGCOSHPSA-N 448.423 0.369 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cccc21 543534151 RNFDDAZRQGLUIX-UHFFFAOYSA-N 448.483 0.776 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1F 548697546 CICXACPQIZFPGG-UHFFFAOYSA-N 444.470 0.429 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 556194534 ZEFKQFIAAARIMP-UHFFFAOYSA-N 433.516 0.801 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 558403034 QVYHMYDEOANNJC-SSWHHONOSA-N 427.548 0.800 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 579262620 QHLTYRCHAPMMJW-KRWDZBQOSA-N 436.582 0.501 30 20 ICED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1CC(C)(C)O 587659508 PZOBNNHRDVVETI-INIZCTEOSA-N 428.537 0.342 30 20 ICED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 589406319 ONGCUUKILDNVPZ-UHFFFAOYSA-N 427.442 0.431 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1Cc1ccon1 610800013 ZBTSXOAZUGFDCQ-UHFFFAOYSA-N 445.298 0.958 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 610807166 OEZPCBHWQQADEY-QFBILLFUSA-N 433.578 0.852 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 611409204 JQNGIBWDPWHSLB-HZPDHXFCSA-N 425.580 0.471 30 20 ICED CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 726837733 WKHIZYFJOQYJJS-UHFFFAOYSA-N 429.433 0.913 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(C)c2C)c1=O 731203726 SFDJTZBNNBYCMI-HNNXBMFYSA-N 429.542 0.827 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c2)c1 737237845 GIGDWBCJOTUUOF-UHFFFAOYSA-N 428.466 0.972 30 20 ICED COCC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737305593 PIFNHWXGPFOZMC-QZMYASAMSA-N 440.522 0.342 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cccc(F)c2)C(=O)C1 741713563 AIBCTAYYKMISDS-UHFFFAOYSA-N 430.461 0.735 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccon2)C1=O 747454676 VSQNQODIACTRQT-SYLQMPFCSA-N 437.503 0.458 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)CCn1cc(Br)cn1)c1cc[nH]n1 752929015 LFMXIXAYYLEYRQ-UHFFFAOYSA-N 427.259 0.811 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 755328681 OHZOUOFIBVKJRU-UHFFFAOYSA-N 434.497 0.812 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 755674196 GPMDQVCCYPSOCG-UHFFFAOYSA-N 432.509 0.883 30 20 ICED C#CCNC(=S)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 758187556 WSTCIVNLBZPFQN-UHFFFAOYSA-N 428.923 0.485 30 20 ICED C[C@H]1CC(=NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)NO1 760486686 MAVBLLWMKRESBA-GXSJLCMTSA-N 436.412 0.856 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 761032743 MLPXHSDWVWZJDQ-QGZVFWFLSA-N 442.488 0.869 30 20 ICED N#Cc1c(CCCNS(=O)(=O)N2CCC3(CC2)OCCO3)nn(-c2ccccc2)c1N 766762996 UAICDFNBUIAEFL-UHFFFAOYSA-N 446.533 0.932 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3ncnc3C2)c1 770800711 INQJUOHLYBBKKL-JCMHNJIXSA-N 431.478 0.072 30 20 ICED C=CCOc1cccnc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 775114350 VRITXKCEFIUWGN-CVEARBPZSA-N 438.502 0.998 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 788311741 YTLWRDFLFOHDHO-UHFFFAOYSA-N 434.500 0.755 30 20 ICED CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 807551685 CCXXWMPEHSULFL-UHFFFAOYSA-N 446.512 0.558 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 914993233 DMHHYYUHEGRWPH-CQSZACIVSA-N 426.477 0.806 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2OC)c1=O 916198138 CXGHVSSFEIIQOI-UHFFFAOYSA-N 439.493 0.977 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 917038830 UFSXIIMZCAEZQF-YQQAZPJKSA-N 433.486 0.056 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 918817192 LGUZPEHDCFAFMZ-INIZCTEOSA-N 429.454 0.500 30 20 ICED C[C@H](CC(=O)N[C@@H](CO)C(=O)OCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1320123273 PWDUGBLPUNTCCG-PBHICJAKSA-N 445.497 0.724 30 20 ICED COC(=O)c1ccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 1457830427 RJBHELPYBKEPKK-UHFFFAOYSA-N 431.470 0.991 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 1611706774 FRRBNLYVTQOMDA-JSGCOSHPSA-N 436.567 0.570 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(=O)nc1O 1625010577 IXEMHYZSHPRMBU-UHFFFAOYSA-N 434.456 0.605 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 1679945128 UIZDJEIJGVNSAW-GOEBONIOSA-N 441.554 0.955 30 20 ICED CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1708316180 VPRVUMQOEHEKKS-JOQOYGCGSA-N 425.559 0.226 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)CCOC1 1710417859 UTMMLYXSFARKBK-KXBFYZLASA-N 441.554 0.608 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1729620081 LCBRRXJDHHMIAK-AWEZNQCLSA-N 433.538 0.526 30 20 ICED CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765606191 YBBXZPLSOPZZMZ-KRWDZBQOSA-N 442.568 0.739 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1768545995 XCCWVYOCSSUAAW-KRWDZBQOSA-N 428.518 0.966 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102808 JNQJUVPOBHGMDX-PYCLYAJHSA-N 435.525 0.817 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779233617 WCSVRCZCRLXCOA-JTSKRJEESA-N 432.521 0.708 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779252283 BQMQFSWQYNHDON-XLEFSIPOSA-N 438.525 0.650 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1779332188 CAECKDLVWLZVDE-YJPQMCDFSA-N 425.526 0.136 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442548 UBIFZZNEOAHEGL-YSWKSISOSA-N 425.507 0.257 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4sccn24)CCO3)c1 1780334828 LWYNJRWYCSLOCY-HXUWFJFHSA-N 438.469 0.713 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1780736627 IXJVJPGKDRBRDL-XMSQKQJNSA-N 431.489 0.957 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781401288 XXSMZGJCRNOOPP-MGPUTAFESA-N 435.481 0.942 30 20 ICED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1781485613 XPFPNENJGIAYGG-RNVZNFDCSA-N 441.488 0.469 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1782081703 WYEZTWDOOPRDSQ-JOCHJYFZSA-N 441.440 0.565 30 20 ICED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568380 WCZRWDYKRNDSGJ-YCRPNKLZSA-N 437.493 0.598 30 20 ICED CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784021681 SGMWFOVDBOWDPH-IZXYBCOWSA-N 425.526 0.902 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1784484560 DSDGJUBOLBNOBK-HYUBVOGNSA-N 441.484 0.739 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4C(=O)C=CC4=O)[C@H]3C2)c1 1784804085 JXMGBLBGMGSSRO-FHWLQOOXSA-N 436.468 0.467 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652356 CFKAADWUBXWPKC-JIEXOSGJSA-N 438.525 0.410 30 20 ICED C=CC(=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 1788754941 VCBCBHWLILDTJB-WWCQJWTPSA-N 436.509 0.186 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1793340803 ONJIBCOAPOQZMJ-HQMXNFIDSA-N 431.533 0.405 30 20 ICED C=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]1C=CCN1)C2 1793595488 OJLLRGWJMQEFRX-MDMSPXHWSA-N 434.537 0.573 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793819208 VGWPRTOMKMQAPM-FLTUCWPJSA-N 448.545 0.502 30 20 ICED N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccccn1 1795611887 KQOCDADDQDKKGH-HRQSHJORSA-N 426.517 0.370 30 20 ICED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074527 DVWQDVFKFKXMHM-SCNOPHJPSA-N 432.546 0.693 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1799394497 IZNWSKKSYVNABR-UEILYKACSA-N 428.489 0.934 30 20 ICED O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)c2N1 1800030039 GEAXOISPEJRVKS-GQKLUMADSA-N 439.516 0.856 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CN3CC(=O)NC3=O)C4)c2c1 1800873821 VBMRQGZKPCLTLS-BTTYYORXSA-N 435.444 0.238 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cncn2)c(O)n1 1801355349 CJPWCYBPSLWIRE-OAFZBRQQSA-N 440.504 0.962 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1803553819 CROMWNNKSPRFIC-WIYYLYMNSA-N 428.537 0.910 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810150299 FJFQAZFRRUDRSU-GJYPPUQNSA-N 441.536 0.994 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1828881677 JJFNSTISVHWTPV-IRXDYDNUSA-N 434.537 0.731 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829783405 JSLPOPWKCLUACP-XMSQKQJNSA-N 439.553 0.086 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1831396696 PWTRRBJVLSJIBQ-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1831399099 ORYPAKGZQUMMAW-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1831998980 VWTODIBGEILCBU-IERDGZPVSA-N 439.509 0.501 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833836694 RIBSDJJHXNTIDY-QFIPXVFZSA-N 437.456 0.746 30 20 ICED COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834433493 GEPYIPPLXIAUAV-HAVVHWLPSA-N 435.569 0.983 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1834445944 LAZVDWFYERSDRW-HUGPVAGTSA-N 435.481 0.019 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465465 IBMNJIUBGXIEGW-OAQYLSRUSA-N 433.530 0.912 30 20 ICED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834517259 JVQIARLDBJFFNO-OAQYLSRUSA-N 433.509 0.589 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364866 JCIMJMJPRBQYNV-HTAPYJJXSA-N 428.489 0.565 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccc3C=O)CCO2)C1 1835950171 RLLSCUAWYZJGNN-NJNPRVFISA-N 433.505 0.909 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837524811 OBYNCIANRDGJMP-SKPKZUESSA-N 447.492 0.005 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837567375 HPXBIEPXPNZJQO-BIRTWZNXSA-N 433.505 0.706 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836266 QAOJGJJTLOSXNP-UHFFFAOYSA-N 443.481 0.903 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)c1 1838737149 KFOYCWJKEVWNBM-OAQYLSRUSA-N 435.444 0.541 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n(C)n1 1838906553 PMROSVMLFQHJPQ-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419764 UBKGKLZFGROYFF-QFIPXVFZSA-N 446.479 0.682 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450936 PQCXAWGSVUWKND-OAQYLSRUSA-N 449.529 0.371 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCN(C)C5)CCO3)C2)C1 1839620577 JZAJIDJWFHMVAW-QHCPKHFHSA-N 443.548 0.755 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)[S@](=O)c1ccccc1 1839672330 HPFWIMWMCZWMMG-NARROWTCSA-N 445.541 0.943 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688838 RYGUDOPQSZCGHS-KXBFYZLASA-N 426.416 0.866 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=C)C(F)(F)F)CCO2 1839890940 CLYZAUJTNSHCRF-PYTPGESOSA-N 431.411 0.420 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncc(O)c2)CCO3)cc1 1840059480 IEJMYIRVUZOXDQ-QHCPKHFHSA-N 436.468 0.972 30 20 ICED COc1cccc(Cl)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840737973 GFHWPBLMCZZAAL-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1841054045 FUPXJJYDEIRCLP-WAYWQWQTSA-N 428.518 0.704 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1845438865 XFWRKWGUQBLTIG-KRWDZBQOSA-N 435.521 0.732 30 20 ICED CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 10453258 NBDNOMJFYLLTMW-UHFFFAOYSA-N 433.490 0.065 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 64769196 IXQDZOOXJYOZSL-UHFFFAOYSA-N 429.458 0.433 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 437053413 VXWHONFGVADHFF-DBVUQKKJSA-N 443.500 0.737 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2)CC1 461671305 GNGRHFUCTCSXLJ-UHFFFAOYSA-N 447.561 0.505 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@](CO)(c2ccccc2)C1 464023283 MJIVVRBDUYPGGI-HSZRJFAPSA-N 430.468 1.549 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 477850383 JDTRDMPXWYKZLL-UHFFFAOYSA-N 427.461 0.522 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)c(C#N)cn1CCOC 480122414 JUCDISWIAFMWKH-UHFFFAOYSA-N 446.464 0.825 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 485743405 BIYLNYNKBMSNCK-MSOLQXFVSA-N 434.518 0.563 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1nnnn1-c1ccccc1 491390811 YIERAEQQTGQQRF-CQSZACIVSA-N 442.443 0.990 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 503327577 YHFOGMWOJJKTIZ-KBPBESRZSA-N 445.563 0.712 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cccc1-n1cnnn1 532313436 QUOPUDIPNGHIKI-CYBMUJFWSA-N 432.448 0.308 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n(CCC#N)n1 532596409 BHNSPFPEXXVGFO-SJLPKXTDSA-N 443.552 0.883 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)n(CCC#N)n1 532602974 HRRIKOMDKJRPHJ-UHFFFAOYSA-N 429.525 0.591 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215713 GMVYDVLMFLIHFI-GOSISDBHSA-N 427.505 0.325 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 539167791 XOLUTGBHCYIEGB-UHFFFAOYSA-N 440.526 0.173 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542992209 COSNRDYCPXTXHK-CYBMUJFWSA-N 434.453 0.362 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)CC2)n1 544867032 RKJFQJZMKRTPQT-UHFFFAOYSA-N 447.455 0.292 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@H]2CCCCO2)cc1 555465244 BEHZBLMURWZMRU-QZTJIDSGSA-N 435.488 0.533 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 558057686 QTKRRWPQDUOVDC-VQIMIIECSA-N 440.500 0.572 30 20 ICED CCC(CC)[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 563515057 BZZLCRAHWIFDRD-HXUWFJFHSA-N 442.564 0.855 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 564374347 YUFWUTKOSKQVBI-VQIMIIECSA-N 440.500 0.966 30 20 ICED COc1cc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)ncn1 582995535 HMRABFXZYGGOGN-UHFFFAOYSA-N 433.432 0.225 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C(=O)N1c1cnn(C)c1 589034841 OCPDRIIAYOCITC-POAQFYNOSA-N 449.515 0.267 30 20 ICED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 604270241 VPUXXZHJLFIKBH-UHFFFAOYSA-N 438.553 0.903 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 609401507 UXYRAHUOPFOEIY-UHFFFAOYSA-N 429.502 0.580 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2cc(C)n(CCC#N)n2)cc1 611659715 BAJILAIYJHIJQR-PBHICJAKSA-N 433.490 0.876 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 726864466 ZRCMLOGSMFYIOM-UHFFFAOYSA-N 428.470 0.297 30 20 ICED CS(=O)(=O)NCCNC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 727075015 FQDYEKVVLKMSQZ-UHFFFAOYSA-N 439.542 0.411 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCS(C)(=O)=O 729674193 FQUXAXAFRFUOIO-UHFFFAOYSA-N 449.510 0.591 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(CCN2CCOCC2)n1 731353639 VYGFRZHYYCGRPR-UHFFFAOYSA-N 432.506 0.283 30 20 ICED N#CCOc1ccc(CC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 732364819 YWNYJWNHXUANRN-QGZVFWFLSA-N 435.502 0.006 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)c2)c1=O 732663313 QOUCURPBECLUCU-UHFFFAOYSA-N 445.566 0.643 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 733202321 QAGCPWSZDJLITJ-KVLUZXKMSA-N 426.564 0.883 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742580957 XLTXSRNRWIBVOF-CHWSQXEVSA-N 428.536 0.044 30 20 ICED COC(=O)c1cn([C@H]2CCCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)nn1 762464135 QPZPJCZLMIMFLX-KRWDZBQOSA-N 437.460 0.995 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769842596 FOHIOBRWGNPADM-UHFFFAOYSA-N 444.469 0.720 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 780042096 AXNITPROGKEGKR-OAHLLOKOSA-N 449.467 0.804 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782792581 ISMLMELFEUHPNF-UHFFFAOYSA-N 448.346 0.314 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 790255771 UZFOCVXEAJDGJC-KRWDZBQOSA-N 425.493 0.067 30 20 ICED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 799845300 JLHMZNKRQGVMHI-UORSSNSFSA-N 435.506 0.079 30 20 ICED CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821736016 RYYGMGCIJKBVFG-KRWDZBQOSA-N 443.481 0.585 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 914819398 PYSFFDHBSNOWCO-GDBMZVCRSA-N 447.517 0.728 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227908 XXKZGMNSVMFFPD-ZDUSSCGKSA-N 440.474 0.019 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1158230269 NXYZKAQZLJABOS-SFHVURJKSA-N 425.532 0.543 30 20 ICED COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301835296 OKWLPRRBDPPFTP-INIZCTEOSA-N 431.522 0.420 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1359084970 XLPRSENLFMQAIK-NEPJUHHUSA-N 448.343 0.040 30 20 ICED Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1511565362 LEBJPPNVNALXNW-SMDDNHRTSA-N 425.540 0.625 30 20 ICED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1639753134 JVPGITGWRYJWKF-KRWDZBQOSA-N 426.498 0.815 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC(=O)N1C 1693829509 LTFVCSNHODMJNI-MRXNPFEDSA-N 440.504 0.937 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)NC 1763745477 LKOUSWFMHBXZFD-OAHLLOKOSA-N 432.554 0.934 30 20 ICED CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768291284 JAVZPBGWTRUMPP-HNNXBMFYSA-N 447.569 0.718 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CCO1 1771537762 VBMDQKJDLBWUGL-DOMZBBRYSA-N 434.403 0.901 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779019437 PPTVNLQSQZONOC-XZEIMLRBSA-N 432.477 0.719 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779070863 CRDYJOMOQGHJKB-KNQAVFIVSA-N 443.456 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1779105174 KSWKKQLTKFHBQU-KRIYTASASA-N 435.437 0.895 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779137566 VDYLWYXOJNEKIH-GQBVICOWSA-N 431.537 0.166 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780167164 FMLHUDKFDMHDRD-DENIHFKCSA-N 428.489 0.925 30 20 ICED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1781970906 KJESRPYYRZAKTE-JOCHJYFZSA-N 445.951 0.903 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1782801123 PUZZUCDTHMEESH-DNQXCXABSA-N 441.528 0.715 30 20 ICED C#CCO[C@@H](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 1784477419 AAGSIQMVBBMIOF-CYDGBPFRSA-N 438.374 0.360 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366705 JUWCRKAKHOVZBG-BTYIYWSLSA-N 426.477 0.119 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788574646 HTRSSPCJGMNXHB-OYSPMZIOSA-N 427.505 0.896 30 20 ICED O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603498 GYPLMWWPLIHKDZ-HKHUCDFUSA-N 426.539 0.256 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511626 PWFYMHGGVFAZKS-BZSNNMDCSA-N 429.546 0.636 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1c(O)cc(O)cc1O 1790154849 FZHWMJXQFBXUFW-MLAUCUPWSA-N 446.504 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1 1790532449 JEUVOCSSDPWMRZ-GRNXDFJHSA-N 438.488 0.410 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c(Cl)c1 1790859456 DDWPBMRWPLPVIQ-KPEUIFRASA-N 430.892 0.941 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1F 1793263322 WMXCRSZATOUZBV-CWPLJXCYSA-N 434.489 0.846 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1793381603 ZXWKOSVZQXMXLL-XQZGEAEESA-N 428.580 0.333 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714422 DNKPKBNWBIJNGJ-IHSNIMORSA-N 428.493 0.822 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795729887 FJCISYOOSBIRCU-KRXQYRFLSA-N 426.477 0.389 30 20 ICED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)ccn1 1797838675 LLOJYRRCPVKGQZ-SPHVFERGSA-N 439.472 0.955 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1797934880 XEIQXANROSPRIY-CAFWBCLJSA-N 449.552 0.318 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1cc(=O)nc2cccnn12 1798497890 BJQBDSXLMIKGBI-FEJSZKPUSA-N 443.463 0.344 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1 1798576784 MDSCTFNNGPTZBQ-ZSBFGKGUSA-N 439.428 0.285 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C3)c(C#N)c1 1799238059 YSBYAUMNDPFYNL-XTGKAWNFSA-N 428.489 0.210 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(C(=O)OC)cc1 1802228552 ACNRJLOQWHBARX-JWVYWZTKSA-N 444.484 0.480 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1803553276 OZSIBIHFTXKFBO-UKPHBRMFSA-N 440.422 0.804 30 20 ICED O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804185104 BPWQSSNZQCMSSD-XXBNENTESA-N 445.479 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)OC)[C@H]1c1cccnc1 1813268236 WGPKOIOQGBAPNZ-QFBILLFUSA-N 432.477 0.953 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](C)S)[C@H]2c2cccnc2)c(=O)nc1O 1814037188 KSYKYJDYHUUHAE-QRTARXTBSA-N 431.518 0.677 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1814052414 UMUJVFIIQVXNFY-FHWLQOOXSA-N 427.505 0.932 30 20 ICED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)c(C#N)c1 1817071546 OUHHNMVURUUYEN-HIFRSBDPSA-N 428.518 0.464 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819479181 DRXNFENQILVTNW-HPNSBFNSSA-N 444.492 0.765 30 20 ICED CN1CCCn2nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)cc2C1 1824385270 RPGZGCDTDYCWPZ-GFCCVEGCSA-N 442.501 0.489 30 20 ICED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1826502045 ZRQTXWCUCYGZHC-VGJZUOFPSA-N 439.494 0.940 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1831427981 WOWVAQHNOWNAAG-VGSWGCGISA-N 428.489 0.995 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)CCC1 1832426889 CUGIMVUZRURVGG-JOCHJYFZSA-N 432.521 0.539 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832585983 DOYZLTMBADOYDT-QHCPKHFHSA-N 443.569 0.976 30 20 ICED Cc1ccc2[nH]cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1832743374 FGHWMPVYPOSZRJ-HSZRJFAPSA-N 439.468 0.563 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCCO3)CC2)CC1 1833074270 FBWIPHWHUNPVTA-HCZHMGAMSA-N 432.565 0.986 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833474359 VWRWAYHCHCKUNV-JTSKRJEESA-N 431.489 0.924 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435085 FUHYPRQRROQYQB-NRFANRHFSA-N 433.530 0.912 30 20 ICED C[C@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)cc2NC1=O 1834763766 WZUBQKLPQOUVOV-SZNDQCEHSA-N 428.445 0.390 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(-c5ccccn5)[nH]n4)C3)C2)CC1 1835344847 YZNBHOJNYMDROS-QFIPXVFZSA-N 436.472 0.845 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1835678027 VEFZYZFJMUIBKW-OAQYLSRUSA-N 434.493 0.124 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1835681297 ROBFSQDHDZYDFT-TWKPZUECSA-N 442.520 0.228 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053186 WMVALQJFRNXDBP-LAUBAEHRSA-N 433.509 0.667 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1836880681 FJPRPFVSYOTZTA-SFHVURJKSA-N 425.599 0.779 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441107 RRTCHUSTDRWOEB-RXGUQILOSA-N 446.552 0.447 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560511 ZMNGWAHMEITKKM-IGPUNGKJSA-N 448.520 0.461 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837743744 SCYFCANAHRMMHT-STSQHVNTSA-N 446.548 0.912 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839227246 OCTJPMAWPSDFHH-FVJLSDCUSA-N 448.524 0.534 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cc[nH]n2)CCO3)ccc1F 1839722112 DTGRDVADTFQYTQ-QFIPXVFZSA-N 441.463 0.662 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1839808551 UWDZTYPZTSAHPW-IBGZPJMESA-N 447.289 0.800 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839866281 RSXUHANBWPPXNL-ZHRRBRCNSA-N 428.489 0.649 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839888347 IFUNFSOKOQKCRQ-GOSISDBHSA-N 427.404 0.367 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089890 LAANAPMZBWYZBP-BIENJYKASA-N 431.555 0.674 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)CCc3cccc(C#N)c3)C2)c(=O)nc1O 1841261112 FRAOHZSZTZTTSF-UHFFFAOYSA-N 435.484 0.965 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841300435 ZIMCYDQUHJLHAB-HUUCEWRRSA-N 426.514 0.876 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1841610579 QFXOHGLCQTXVIO-IBGZPJMESA-N 442.553 0.867 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 30645400 ALVFWWCGTPOIRQ-UHFFFAOYSA-N 444.561 0.883 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 109053102 DFZBJQNRUVYSHU-MRXNPFEDSA-N 432.454 0.758 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 430344223 LDWBJIXOHAPRQN-UHFFFAOYSA-N 445.911 1.037 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Nc3ccn(CCC#N)n3)CC2)cc1 444414125 FUOKEWGNPGPEQY-KRWDZBQOSA-N 430.534 1.439 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 460587034 PKNKVFWQHZMMLJ-UHFFFAOYSA-N 433.428 0.964 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)N3CCOCC3)ccc21 471058820 GPTBCAYURARIIE-UHFFFAOYSA-N 427.461 0.183 30 20 ICED CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472848594 CBEKRZSNXCHGTE-UHFFFAOYSA-N 444.517 0.681 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 476056969 XEWGRDXBQGLKRV-GOSISDBHSA-N 445.545 0.956 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCN1S(=O)(=O)c1ccc(C#N)nc1 477125424 GVTUWIWCWPHHIU-CYBMUJFWSA-N 432.487 0.304 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)COc3cccc(F)c3)CC2)c1C#N 477341218 SDKZCSYOSDWQLE-CQSZACIVSA-N 428.468 0.972 30 20 ICED N#CCN1CCC[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 478318075 CWBBGZQCJNMSIR-LJQANCHMSA-N 434.562 0.992 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 479714132 JRWCYDIVYHSTCC-INIZCTEOSA-N 428.449 0.469 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCCO2)c1=O 489018723 GZFUQUUDHHCPIK-HOCLYGCPSA-N 428.514 0.321 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 491246967 MBKMRTOLYAOIAH-GOSISDBHSA-N 443.548 0.465 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 503156015 IHKUGYQZQQDOID-CQSZACIVSA-N 431.492 0.465 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)c2)CC1 506565024 JFTLSKYESOCCOG-UHFFFAOYSA-N 437.497 0.415 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1 508009426 ZZYLCHXIHHMTDJ-BTYIYWSLSA-N 427.461 0.520 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 509445392 CRELRHDUJIDFSF-PJPHBNEVSA-N 434.588 0.434 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 514645735 OWMKJKCIDWTAIY-UHFFFAOYSA-N 441.509 0.903 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 514916952 BRIWVPRGLWISBU-UHFFFAOYSA-N 427.482 0.839 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)cc1 517280439 MIKRFVOCEYWJRB-HNNXBMFYSA-N 446.533 0.966 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1nnc2n1CCC2 530778036 FTYMQNQBBONMSU-UHFFFAOYSA-N 443.533 0.061 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1-c1ccc(OC)nc1 532011845 JDNHTKSOVNVZBS-UHFFFAOYSA-N 446.410 0.969 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccc2c(c1)OCO2 532194684 SJMYPZDZHGAKBS-UHFFFAOYSA-N 441.490 0.947 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCNC(=O)c2cnccn2)c1C 534909288 FBKUZUKQJGNFQJ-UHFFFAOYSA-N 432.444 0.636 30 20 ICED CC1(Cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)COC1 546068316 SEOBNDGJWTYEPS-UHFFFAOYSA-N 430.490 0.333 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 547301844 MSWIXCKKBLLDQE-IBGZPJMESA-N 436.520 0.704 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2)c1 552581125 JSUXQJQSIAZCDO-UHFFFAOYSA-N 438.463 0.216 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553216704 YJZKXVCBCOKEJC-GOSISDBHSA-N 431.512 0.773 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1=O 555965437 YEKNLAKXYUUJJX-SFHVURJKSA-N 430.480 0.792 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1C 583536130 VYXBZFAYCBMRAD-UHFFFAOYSA-N 434.460 1.223 30 20 ICED CN1CCN(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C 587648027 PFLVXPAFUSBPSY-UHFFFAOYSA-N 427.553 0.180 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609087175 XCJIWXUIXPSLFJ-UHFFFAOYSA-N 431.421 0.049 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 612230426 YJIANVWCZFRYNE-GUYCJALGSA-N 440.460 0.566 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1C#N 615316022 ZHQFNVVUQDCCDE-IBGZPJMESA-N 429.521 0.807 30 20 ICED COCCN1C[C@@H](C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1=O 729068660 FBHGVHKCAIRJLW-WMZOPIPTSA-N 438.488 0.775 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NCC#N)CC2=O)cc1 731234773 OXCLGKKDADNCCY-AWEZNQCLSA-N 436.490 0.253 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCOC 731494810 JMSKDQUUIFQNMI-UHFFFAOYSA-N 433.505 0.660 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 732615795 UESMOFAHUSZQRF-UHFFFAOYSA-N 432.487 0.816 30 20 ICED N#C[C@@H](C(=O)c1ccc(I)cc1)C(=O)N1CCS(=O)(=O)CC1 732910838 TUTURLQLVRDJFE-LBPRGKRZSA-N 432.239 0.871 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C(C1CC1)C1CC1 734827277 DQZPOXFVYPRECU-UHFFFAOYSA-N 427.530 0.270 30 20 ICED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 745812780 DIFOSZMLXVLLKF-ZCXUNETKSA-N 435.506 0.441 30 20 ICED C=CCc1cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(O)c(OC)c1 754724207 ZTUIEIBFWCTLHA-QGZVFWFLSA-N 444.575 0.764 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1-n1cnnn1 755544932 HKNOTBBAUYIYDL-DZGCQCFKSA-N 440.464 0.785 30 20 ICED COc1ccc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 759834911 XAYCRFSLUCNEMW-LLVKDONJSA-N 438.487 0.412 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 762743535 FCEQBGGKIWQLRZ-RCCKNPSSSA-N 437.503 0.794 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2cccs2)c1 763711868 WJZVXRMYIFMHLI-UHFFFAOYSA-N 436.471 0.467 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O 767638223 RSTJTVBBYABGBT-CXAGYDPISA-N 431.474 0.697 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 771295437 XQIZZSXBMRDGCB-OAHLLOKOSA-N 439.501 0.387 30 20 ICED 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O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837491024 TYPSWHUFUONIEY-HSZRJFAPSA-N 443.500 0.556 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1837524781 MOAJERJWLJVDTN-CCYCTLHUSA-N 438.506 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cc(C)on1)CCO2 1837552406 PCGCXSVGUBWRIQ-FJDKVYNBSA-N 444.488 0.311 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1C 1837566753 KPZAVBMWQTXBBS-IQTGRTGDSA-N 445.476 0.211 30 20 ICED O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567271 AZYIVIIYYGLBDC-SGUBNQQPSA-N 439.472 0.658 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccn1 1838722341 ANXJVHKLJQGIAD-VLIAUNLRSA-N 437.518 0.647 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1838739514 WECXQLDMMBTBOW-QFIPXVFZSA-N 449.471 0.242 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037818 ZCMNGPOEYCDLSS-AOMKIAJQSA-N 433.480 0.977 30 20 ICED COc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1839333345 FTFRISCBTTZERI-FQEVSTJZSA-N 438.383 0.131 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636974 ZPUPYJPSBZCRTJ-UQASEVPWSA-N 432.546 0.527 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1839809082 PRISMAITXDASBM-GOSISDBHSA-N 438.278 0.556 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839887855 RXKHEVWGKFSKFC-KRWDZBQOSA-N 428.392 0.169 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839888196 BZFRFIZTJWSBGK-IBGZPJMESA-N 425.432 0.667 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840161870 DERXITUFJOHVHE-MEDUHNTESA-N 436.456 0.827 30 20 ICED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1F 1840813183 KLFMSLFBWPNMMT-NRFANRHFSA-N 432.452 0.993 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818607 LOICSWLZFGOFOB-MBSDFSHPSA-N 443.500 0.985 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1840957681 NVUYMCLPILSLKW-JOCHJYFZSA-N 435.521 0.723 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1847802157 NDWLBQUHWHNTSX-BCYZHJNNSA-N 449.548 0.844 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)O)cc1C 9084141 LRFZUIBLUZNHJQ-QSFXBCCZSA-N 439.534 0.929 30 20 ICED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 17110211 MIAIIFQIRLCMCP-SNVBAGLBSA-N 444.835 0.529 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)CC1 409491903 OHMAHLKFUIAASC-KLHDSHLOSA-N 434.588 0.149 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CCN(c3cccnn3)CC2)n1 429947610 LEGHBWYYZRUKOM-UHFFFAOYSA-N 434.435 1.397 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)C1=O 440286232 WMWKFQFVASABKT-QGZVFWFLSA-N 434.518 0.653 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cnn1-c1cccc(C#N)c1 443747699 MPZQGTQKKYPTAY-SFHVURJKSA-N 438.488 0.998 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 460694287 ZFBUHVRWOKBTHI-INIZCTEOSA-N 437.460 0.175 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1 464103775 YVPLYKOBENEYKI-CYBMUJFWSA-N 431.461 0.908 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 465401459 HGVQQPQPHQKKCQ-LBPRGKRZSA-N 446.464 0.567 30 20 ICED COCCC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 475674505 TWYJUVMGODBLDJ-FQEVSTJZSA-N 431.512 0.715 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCOC1 478855117 LSHYPCROLOCNMZ-HNNXBMFYSA-N 429.546 0.751 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCOC1 478857235 OMJMCMRVKFVOED-INIZCTEOSA-N 443.573 0.999 30 20 ICED COc1ccc(CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 481159540 WGUWGONTXTYNAZ-AWEZNQCLSA-N 430.486 0.666 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 489195332 JCPPMJMBLRTBJI-GOSISDBHSA-N 440.481 0.348 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCSC 514521232 MPHKKSDUEGDQQM-AWEZNQCLSA-N 432.571 0.712 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 516678123 DUSHYXSPSGRGEW-QKLQHJQFSA-N 441.532 0.391 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 518395212 GEEZSTBEUNOBNQ-LJQANCHMSA-N 426.521 0.315 30 20 ICED CN(CCC#N)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 518954320 OHRKIUJZUXTCLH-GOSISDBHSA-N 433.534 0.458 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 530317990 ZQAWUZUYPRINQZ-OAHLLOKOSA-N 441.509 0.293 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C(F)(F)F)c2)c(=O)n1C 535138955 UGUVDXGITZBVTI-UHFFFAOYSA-N 429.395 0.870 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CC2 541143080 HUFRVEMTHOCMLQ-ZDUSSCGKSA-N 438.423 0.691 30 20 ICED CCOC(=O)c1cnn(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1C#N 544694911 UNUGYTHRAYGUSE-UHFFFAOYSA-N 425.445 0.720 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCSCC3)n(C)c1=O)OCO2 544726394 LAMBRZMJVIVRQM-UHFFFAOYSA-N 445.522 0.263 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 561406624 JLACFAXVSDOOFT-MOPGFXCFSA-N 428.514 0.588 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 561952841 UFYGYSFZBGMCHM-UHFFFAOYSA-N 435.488 0.893 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1C 564134020 QNZWXOVJQHNWBZ-UHFFFAOYSA-N 431.478 0.288 30 20 ICED N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)n1 564555780 PJHGIEZNMAZQAA-UHFFFAOYSA-N 426.414 0.754 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 575788752 QJJQWXYBLCFXQV-IIAWOOMASA-N 425.507 0.476 30 20 ICED CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 581633913 ONTIGDDFIKCLDT-UHFFFAOYSA-N 426.481 0.441 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)o2)c1=O 609564000 LHMZFKPZWPICJU-UHFFFAOYSA-N 433.555 0.926 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 728531841 SHOMQFQMOQRFLZ-OAHLLOKOSA-N 447.333 0.696 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 729671462 NWZWMLLIZLWVMC-UHFFFAOYSA-N 443.428 0.880 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 731125903 KEJPFCYHCAZLGN-UHFFFAOYSA-N 446.485 0.775 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 733147446 OBTNBUHSGSOXEK-PGMHBOJBSA-N 431.496 0.746 30 20 ICED NS(=O)(=O)c1ccc2c(c1)N(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 736101482 VWEFCTSYDMQKLG-UHFFFAOYSA-N 448.526 0.742 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCOCC2)c1 737268585 NNTAXKMKCPXEIA-CJLVFECKSA-N 438.506 0.096 30 20 ICED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737307274 YOKZCCLXLFKXBV-CZIZESTLSA-N 441.488 0.962 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 737308081 WUQHOCZRYCQCKW-HNENSFHCSA-N 425.445 0.785 30 20 ICED COc1sc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Br 746577419 FNPZBTSRXMLJMJ-UHFFFAOYSA-N 437.297 0.229 30 20 ICED CC(=O)NC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 747993454 KBEWGNCMDPDRQI-NKFKGCMQSA-N 449.533 0.565 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758056556 WSJNJBSDPJVDQZ-UHFFFAOYSA-N 431.433 0.988 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 764742570 AAJBEWFLNBTXBU-LLVKDONJSA-N 442.457 0.562 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(NC(=O)CCN(C)C)c2)CC1 768114582 YBWMBJIOUPBPEV-UHFFFAOYSA-N 441.532 0.812 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772277444 ISSVGFNWGPBPTF-UHFFFAOYSA-N 443.525 0.235 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(Br)cc1F 777442866 GACWHKMROPLLRY-UHFFFAOYSA-N 434.247 0.083 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 783474789 JHNDXINXXOKPKJ-TXPKVOOTSA-N 433.530 0.888 30 20 ICED Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)n1-c1ccc(C#N)cc1 787999451 PSHLFJFNHHGKTM-RTWAWAEBSA-N 442.541 0.882 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)n1 789788425 JYNGDPRFVHWLAV-UHFFFAOYSA-N 429.452 0.971 30 20 ICED CCOC(=O)CON=C(C(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1cc[nH]n1 789954428 KBDUXMVAJYEEBN-AWEZNQCLSA-N 432.433 0.787 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 797762512 SUMWJXJPEYKVIY-INIZCTEOSA-N 446.909 0.835 30 20 ICED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C[C@H]21 815708246 MMVKVCTVDMJXCI-LUWBCOHISA-N 448.501 0.315 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227391 PALSVBLBGYKEII-ZDUSSCGKSA-N 442.490 0.572 30 20 ICED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 921218622 ZYJGWENZZDAANL-HNNXBMFYSA-N 429.495 0.649 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288977845 RWJDQUCGTUFGEY-SPYBWZPUSA-N 435.554 0.641 30 20 ICED CC1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1291181482 JEWHGTCPCCBQKO-SJORKVTESA-N 439.586 0.739 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1297290186 PSUNIVDZYSRTGB-LJQANCHMSA-N 430.557 0.155 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1305121164 YPMLNOJCUDMPJG-HNNXBMFYSA-N 437.504 0.922 30 20 ICED CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1305552089 WOEQIGDBASMCAA-RHSMWYFYSA-N 425.493 0.784 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1315937343 VXMJNJAHYAXSBH-YJBOKZPZSA-N 448.549 0.948 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1=O 1318133408 QBLXCVXLVFKTRT-UHFFFAOYSA-N 426.351 0.528 30 20 ICED COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 1322633367 LKJBVLKMKZZYFT-YOEHRIQHSA-N 430.486 0.768 30 20 ICED CC(=O)N1CCc2sc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc2C1 1463016787 LQKGXZXHRJCWFZ-UHFFFAOYSA-N 426.564 0.889 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1541935471 ODNSEHXLGRFYDJ-RHSMWYFYSA-N 426.543 0.560 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1617401102 WHLKKTAJPAUZPK-UHFFFAOYSA-N 448.549 0.877 30 20 ICED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1618895189 KYRKOIXIIBDBCQ-UHFFFAOYSA-N 447.521 0.597 30 20 ICED N#CCC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1659538500 ZUSNDIHJFMPFRX-UHFFFAOYSA-N 427.548 0.962 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705747510 OEHYNGDWYZZKSM-CVEARBPZSA-N 446.021 0.857 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnn(C)c1 1741675257 UVZMSJUJGZVOGK-UHFFFAOYSA-N 434.508 0.791 30 20 ICED Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cn1 1767460502 IEKPFJNVNMLEKW-CQSZACIVSA-N 437.430 0.534 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778848266 YTEFOTILVHUTQU-YCRNBWNJSA-N 436.597 0.321 30 20 ICED N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1779064227 BPTLTXQYHYJYHO-NZQKXSOJSA-N 426.517 0.610 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779395343 RIARKYLIBFNWFS-AUSIDOKSSA-N 445.560 0.821 30 20 ICED CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n(C)n1 1779623595 MGORFWVUOKDBRK-GAMXZPBPSA-N 433.509 0.955 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416947 MSGZPKSVTZTBAI-JOFDYHQFSA-N 435.437 0.895 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780599538 CNUCMHAOSUQVDS-QHCPKHFHSA-N 425.533 0.639 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COCCO)C2)c1 1780766736 QVPIVVUNTFCJJD-DENIHFKCSA-N 431.489 0.703 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1780803399 AEZJPDNUJNPJKJ-WOIUINJBSA-N 437.585 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503728 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442.516 0.472 30 20 ICED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830022358 CTRRKHVITAIPDC-QFIPXVFZSA-N 431.489 0.818 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1831386873 KMIMJRVMOACODR-VGSWGCGISA-N 433.480 0.648 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)Oc3ccccc3O)C2)C1 1831391931 ADCDUZACKUTCFK-GAJHUEQPSA-N 444.484 0.779 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831431224 BNZBKHSHIIGDBV-SJCJKPOMSA-N 447.414 0.485 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831493264 RLWAXRUUIQAZQE-CRAIPNDOSA-N 426.495 0.947 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831631107 YJHAMTUPQVVRPX-OPAMFIHVSA-N 431.489 0.919 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnsn2)CCO3)c1 1833531937 JALIIIXSNBVQJZ-FQEVSTJZSA-N 443.485 0.802 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1834448186 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CFJDJXWKOITUFM-LSDHHAIUSA-N 434.493 0.382 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 33015374 LWQBYHQITPSTSY-INIZCTEOSA-N 435.550 0.551 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)n2)CC1 427082832 UTDDEQMIYHOLAG-HXUWFJFHSA-N 435.532 1.325 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2=O)cc1 434423992 XSPWUENMZYTBGX-OALUTQOASA-N 445.545 0.869 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 439911146 COLFXRNOAQZWIQ-UHFFFAOYSA-N 445.549 0.839 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 440263322 AXISVWOFWDKZTQ-QGZVFWFLSA-N 436.534 0.901 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O 440373081 PFUMGZLQCFSAJH-AWEZNQCLSA-N 429.458 0.964 30 20 ICED CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 440898641 FGQJUUIYYNIOAE-MRXNPFEDSA-N 440.504 1.517 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 446685981 CMXWFNSDDSNWKI-UHFFFAOYSA-N 441.492 1.100 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc2)c1N 462076801 OZPULANOQZKBNG-UHFFFAOYSA-N 441.473 0.602 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 471148407 SETSAJWREJRRQW-OAQYLSRUSA-N 441.557 0.875 30 20 ICED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 472275154 ISMRDRWRRFPYCX-QZTJIDSGSA-N 427.553 0.582 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(C(N)=O)cc1 474325940 GNVWGDGQZMZMNM-UHFFFAOYSA-N 447.520 0.731 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccsc1 479375119 YMDVFLRDEWWLTP-UHFFFAOYSA-N 426.479 0.691 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1C 479799383 BSZGLAUQJDDNFY-QGZVFWFLSA-N 442.501 0.239 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CN3C[C@@H](C)C[C@@H](C)C3)CC2)c1C#N 481049775 OZFYLJMVHPGXTD-IXDOHACOSA-N 429.569 0.731 30 20 ICED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 486054186 OOTFTSXTQIUWIW-UHFFFAOYSA-N 438.513 0.984 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O 499412221 CRRCBVDDAAKVKJ-LBPRGKRZSA-N 429.351 0.538 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cn1 507362084 UCJHTSUWVIONML-INIZCTEOSA-N 436.476 0.874 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@](C)(C(=O)OC)C1 509014166 RULHNRWUQVCZDH-HBUWYVDXSA-N 427.527 0.432 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 521106166 ANZSBWGHWHHODO-QFIPXVFZSA-N 439.560 0.916 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 522222842 XBYUFWBCHXAIDT-UHFFFAOYSA-N 448.526 0.493 30 20 ICED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533514173 ODSCRAONSUOVHV-UHFFFAOYSA-N 435.506 0.086 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(C3CCC3)cc2=O)CC1 534062663 WOFFQCTWSIGWLR-UHFFFAOYSA-N 441.513 0.916 30 20 ICED C=CC[C@@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 538220393 DJGXANGRVJSPNS-GOSISDBHSA-N 437.562 0.909 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 539916543 LXLGPTNRDYQSIC-SJKOYZFVSA-N 441.469 0.614 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540552771 IDWQDLSRFXXSNS-OALUTQOASA-N 444.605 0.695 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 542094035 QQXNEMNGAVELOZ-UHFFFAOYSA-N 431.901 0.397 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1Cl 542793386 GVKMJUNTPMDLMM-UHFFFAOYSA-N 444.944 0.919 30 20 ICED CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCSC1 550838378 GJBXZGHTXGALDV-DYESRHJHSA-N 429.546 0.723 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 552388978 HXVMYBZMHOXDBT-QGZVFWFLSA-N 441.532 0.437 30 20 ICED C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559000952 MGAANIQQHGFMEA-HNNXBMFYSA-N 426.477 0.589 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2Cn2cc(Br)cc(C#N)c2=O)cc1 571931357 WPNFWHVPGNJVKF-UHFFFAOYSA-N 435.263 0.910 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587653010 BCBKNBKWSCABET-UHFFFAOYSA-N 425.493 0.659 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)nc1 588968712 ZKMCPPZDQIMYMC-UHFFFAOYSA-N 435.531 0.197 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603794314 DVWIRTLACRCDMZ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C 604270024 MUOJRHSGLRRMBR-UHFFFAOYSA-N 430.505 0.556 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604270331 WCXXFWLSRYKYAB-UHFFFAOYSA-N 449.536 0.574 30 20 ICED Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n([C@@H]2CCS(=O)(=O)C2)n1 610697999 ZXCKHJFAJAYGFL-LSDHHAIUSA-N 444.521 0.955 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 611611963 ZAQLZGOSTBDOAH-ZWKOTPCHSA-N 426.452 0.879 30 20 ICED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615099506 RBYRGQLCSHNOMN-UHFFFAOYSA-N 428.537 0.986 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CC)c2ccccc2OCC(=O)NC)C1=O 671062083 KKODACATCVMEAV-DLBZAZTESA-N 430.505 0.624 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2ccccc2OC)CC1 728536115 JVBRJQZUHHGPPX-UHFFFAOYSA-N 442.545 0.570 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2scnc2C)c1=O 743725752 YXRSJONCCBDBDT-UHFFFAOYSA-N 436.584 0.400 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 744114707 WOVZWAXLBPRFME-XOUADPBQSA-N 437.861 0.569 30 20 ICED CN1CCN(C(=O)Cc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 746152443 IRYTXLYSKKLWBK-DQRAZIAOSA-N 425.489 0.858 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OCC#N)cc2)s1 746206412 ICQKTLIRBKXFKI-UHFFFAOYSA-N 436.515 0.881 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 749186703 WDOHVYMRSSUHHI-UHFFFAOYSA-N 429.445 0.197 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc2n(C)c1=O 755846200 IMSPYOYAXKOPTH-SMDDNHRTSA-N 443.464 0.513 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1Cc1ccon1 765145567 JYFAHRYJDLPJFO-UHFFFAOYSA-N 440.529 0.925 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 766652847 XUDMPCVNLLIMPB-DGCLKSJQSA-N 441.868 0.798 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 776138157 XROJRUVBNQEORQ-CQSZACIVSA-N 444.491 0.744 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)[C@H]1CCCO1 776233310 VQRDKBGTANZCLZ-FUHWJXTLSA-N 432.502 0.378 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 777443010 QHLKADJUSZFMED-CQSZACIVSA-N 428.511 0.785 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCN2CCNC(=O)C2)C1=O 781104141 MBRIIVKHZKAKCV-QGZVFWFLSA-N 429.546 0.675 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 783545487 SMIFRCSYJSMFMF-CQSZACIVSA-N 442.515 0.341 30 20 ICED COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2cn(Cc3cccnc3)nn2)NC(=S)N1 783936822 AQPZOAUELOMQSN-MRXNPFEDSA-N 435.469 0.945 30 20 ICED C[C@@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798746018 XVNQRDDGBGIQJY-ZDUSSCGKSA-N 432.462 0.677 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1=O 799177884 WYMUYYLOFDCQMO-BQGMYUGNSA-N 443.529 0.953 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 811155193 MWTIGLPYLWLPRC-WBMJQRKESA-N 425.463 0.082 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1 815819892 SEVRRXDTOQQRML-ULJHMMPZSA-N 447.521 0.315 30 20 ICED C/N=C(/NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NCCN1CCOCC1 849051052 UGDGGCPJPDNQEL-UHFFFAOYSA-N 438.381 0.769 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 854380508 NDVQIZLPPUNCPZ-GFCCVEGCSA-N 443.437 0.982 30 20 ICED COc1ccc(-c2nnc(S)n2N=Cc2nc3c(c(O)nc(=O)n3C)n2C)c(OC)c1 920369062 SHYZSNLZZCMLOF-UHFFFAOYSA-N 442.461 0.819 30 20 ICED CS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1316360292 SWIJXULSXSFZDW-LLVKDONJSA-N 444.315 0.314 30 20 ICED Cc1nc(CN2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)no1 1318486141 FPXODSGZKIHJNW-QGZVFWFLSA-N 437.460 0.799 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CN1CCCC1=O 1324138221 CGRBQUJXHWWKNN-OAHLLOKOSA-N 436.534 0.385 30 20 ICED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c3=O)cc2)cn1 1339657151 FMKUPOXSODANRX-UHFFFAOYSA-N 449.536 0.914 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1443268222 LSEDLSVTILZEOO-UHFFFAOYSA-N 434.254 0.057 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CCO1 1503771644 IZMKQZJCEIVNRQ-DYESRHJHSA-N 426.477 0.573 30 20 ICED CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517599008 SWLLMPPTRNVJMR-UHFFFAOYSA-N 448.535 0.640 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1521115112 QGOWENMVJLWOEI-HZPDHXFCSA-N 441.579 0.887 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1692785799 RJRRIOHANQQTTG-MLGOLLRUSA-N 429.478 0.173 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1693747946 PASXWGOVMTWRKZ-HOCLYGCPSA-N 428.518 0.918 30 20 ICED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1743362064 LUCACIQBFUYJPL-MRXNPFEDSA-N 426.477 0.813 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccnc2)C1 1771360968 IJMBKYKWKCYXQV-QFBILLFUSA-N 449.512 0.691 30 20 ICED O=C(Cn1nccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1780819875 HVNRMDWBNOQGBK-NPARIDPTSA-N 434.497 0.321 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)ccc1F 1781301824 GOMDRMKZZWXVSK-OAQYLSRUSA-N 426.452 0.752 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782961756 WUMFFZGSFAGVIS-WIYYLYMNSA-N 447.513 0.588 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cc2)C(=O)C1 1783564870 BVKMBPWBNZOGBO-QFIPXVFZSA-N 438.440 0.331 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197127 HLSZXGYYXJPCRE-NXOAAHMSSA-N 425.526 0.818 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4cccnn4)C3)C2)ccc1F 1784457855 BHWMTOVTPYBTGN-JOCHJYFZSA-N 439.447 0.939 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21 1784482553 QLJOKKKRBZWCOR-ZULIPRJHSA-N 437.500 0.899 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1)n1cnnn1 1787513656 NQFNZUZQVVAGAL-LDFDMIBHSA-N 444.517 0.714 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638794 HASCUTQJOKYRMK-FYQPLNBISA-N 443.548 0.593 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1788652620 JLMVFGQKHOKNDW-ZFCVXGPHSA-N 436.509 0.021 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc2cccnn2n1 1789143468 REHDFTBGALYPEA-ZRRIGXHUSA-N 439.520 0.794 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)CC1 1789839884 QPXFKKXLBXCYHA-ULQDDVLXSA-N 449.552 0.466 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C[C@@H]21 1790792900 BILWVQHBOKITQU-CABLIKTCSA-N 447.532 0.624 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148709 YQFDKHPIDKBEMU-IKPGRXKRSA-N 440.500 0.957 30 20 ICED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c1F 1794495482 MBMHVKKSODDAGZ-HGKCTWBKSA-N 432.496 0.769 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)c(C#N)c1 1796086139 VPXRMVLPSBPJRX-SFNKJDCFSA-N 427.505 0.340 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797699743 FSDVSGGDYXCNLB-FZDIXFNVSA-N 427.505 0.778 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798349084 RPYMQNSVWQWKTF-XGUBFFRZSA-N 435.481 0.742 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)cc1C#N 1799341218 TXLVFWKOKWPCKH-RMFSNUHRSA-N 431.489 0.558 30 20 ICED 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C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 1829764943 DDNRRJGPTFEHDC-XBKFQHLESA-N 445.491 0.683 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1830645687 BXGGHVPTXVZYDT-FCHUYYIVSA-N 438.521 0.827 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966829 XYDPAEZLVHMNFA-QHCPKHFHSA-N 442.516 0.174 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1831392980 SDHGYUQSVIZIQE-UZUQRXQVSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1831397643 URZYMZYIVBXNTL-GAJHUEQPSA-N 446.500 0.812 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831424904 NPCQHNIGIHNSRR-HNAYVOBHSA-N 426.901 0.584 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831493795 VSFMJFZAXWVUJD-WFXMLNOXSA-N 442.626 0.033 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832248905 HOIPJCCPNFGWER-AWEZNQCLSA-N 425.335 0.102 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CC1 1832355360 NXVPTYLTDADIPF-HXOBKFHXSA-N 444.532 0.538 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1832454349 JASNQCNGOYPRLU-SFHVURJKSA-N 439.494 0.167 30 20 ICED Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)c(=O)[nH]c1C 1833427764 USXBBHHKPGEEGG-UHFFFAOYSA-N 425.533 0.985 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1833468024 JDCYWMPCSSZFTD-KRWDZBQOSA-N 434.537 0.439 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cccc1=O 1833873221 JLJDUAAMWMYPBP-HPARJBSBSA-N 442.472 0.167 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715660 WMRWEGALQSIJPZ-UHFFFAOYSA-N 430.557 0.282 30 20 ICED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768034 IWSVXBKYTBJPIN-VSIOZEBNSA-N 437.541 0.223 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837166632 AMQUOLMFISMHAO-XMMPIXPASA-N 445.479 0.851 30 20 ICED Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524615 KTMZUYAUGMURRP-GAMXZPBPSA-N 434.493 0.624 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562692 BZYXXBARXNSGPH-MVHAPSEQSA-N 433.490 0.629 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)ccn1 1837564218 CUSMOGWPZYHJIE-HPARJBSBSA-N 442.472 0.872 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838067817 HYBBSNHRDBWNCK-NRFANRHFSA-N 441.444 0.379 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838358003 MQCGAHXLXUPMBI-SFHVURJKSA-N 447.492 0.563 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)cc1 1839362216 DYRYSMOSHOUJIC-XUZZJYLKSA-N 449.511 0.918 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OCc1ccccc1)CCO2 1840019909 HVZRWDLOSKYCSM-VGSWGCGISA-N 429.473 0.391 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3OCCc4ccccc43)C2)C1 1840039734 GHCKPSSTEOUQMN-AUSIDOKSSA-N 442.468 0.235 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043204 JWTBUPAGASZRLN-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840182115 WRLFVJPJDBKBKI-ZWKOTPCHSA-N 434.436 0.270 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccn1 1840441031 UBFXYWBZHRNCDK-UTKZUKDTSA-N 432.525 0.182 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548050 JBSPUEAQBOCXJK-FQEVSTJZSA-N 428.551 0.646 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818997 JHNDIANKYLDFNH-JOCHJYFZSA-N 445.472 0.347 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)C1 1841368724 QBYGNVSAJTVIIY-ROUUACIJSA-N 447.557 0.904 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842910421 FMZFFLVNRBPHQJ-IVZQSRNASA-N 446.552 0.499 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1844239474 HNBLXBITHPYCQP-SFHVURJKSA-N 442.553 0.459 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844333194 XWQHMSRMSZVERC-HNNXBMFYSA-N 429.477 0.308 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845223184 YCLGDMGZFKUKGM-MRXNPFEDSA-N 431.493 0.979 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 16634970 DIUQYUZJTXVDRR-UHFFFAOYSA-N 431.474 0.484 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 409545180 WEWJBUILMZGYQC-UHFFFAOYSA-N 440.469 0.891 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 427723575 YZSRIGZULOKGRO-INIZCTEOSA-N 429.564 0.342 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 428804973 MMVCWJIZJNMOHB-CVEARBPZSA-N 425.580 0.423 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1Br 432867215 RMPNKUPASQTLAB-CYBMUJFWSA-N 448.364 0.814 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 434009134 VJCIVAIQDQFQSL-QGZVFWFLSA-N 425.532 0.500 30 20 ICED CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446525537 YMGNZAUPHFXTDF-UHFFFAOYSA-N 440.508 0.934 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446527011 OKFVLRQBULXMKG-UHFFFAOYSA-N 444.521 0.397 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)C2)n1 469159094 NYXRAKLPCKVSSI-MRXNPFEDSA-N 444.521 0.129 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 471693039 NPTANOOMHWKPAW-QKLQHJQFSA-N 445.545 0.739 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(C)C 478766499 XWCVURRQUVEVFL-HNNXBMFYSA-N 431.562 0.997 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487504748 PWVJRIDIKGXBPJ-XLIONFOSSA-N 440.548 0.901 30 20 ICED CN(CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)S(=O)(=O)c1ccc(C#N)cc1 488222036 RRQIKWAANPYYEZ-UHFFFAOYSA-N 449.514 0.383 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nn1CCC#N 504530196 PWFNMDIHTGJCQW-IAGOWNOFSA-N 443.552 0.692 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508894719 LZQWKDIROYOYSH-STQMWFEESA-N 438.514 0.294 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1CCCC1 509267509 BLLVBJNXVZZFCA-INMHGKMJSA-N 448.615 0.682 30 20 ICED COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)NCC(=O)NCC#N)c2)cc1 511922090 XGNDETFNZWGGKC-UHFFFAOYSA-N 431.474 0.935 30 20 ICED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 513607851 IEWVOLXKYLEUSM-UHFFFAOYSA-N 437.456 0.846 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 518074574 OPJWIINFCQLPTG-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 520081897 BZTABQSSTJJNSC-UHFFFAOYSA-N 449.500 0.938 30 20 ICED CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 522902321 LFGKLSLVTLTUNM-GOSISDBHSA-N 433.534 0.257 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 531944283 WRADAPFZCQOSTM-CYBMUJFWSA-N 441.469 0.916 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n1 546907250 HSAHPQOCGHBVOW-UHFFFAOYSA-N 444.430 1.437 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CC 554642643 FLVDMLBAFYKTDS-UHFFFAOYSA-N 427.482 0.287 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)c1C#N 561666247 HCVOAWYCKOONLW-HNNXBMFYSA-N 440.483 0.178 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1c1ncc[nH]1 570544239 RPRMPORMSKZTBI-MOPGFXCFSA-N 449.515 0.798 30 20 ICED CCOc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 573542515 DPDCPKPUUVFKNZ-UHFFFAOYSA-N 436.490 0.465 30 20 ICED C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573888724 WYZGAZCRUQHNEZ-CQSZACIVSA-N 442.439 0.992 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 575077544 UQYLAXPSNZHPFV-QGZVFWFLSA-N 447.451 0.769 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 578258735 BYGJKDLBCIULJO-QRFQSNJMSA-N 426.473 0.182 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 582585032 GPASTFJOHZCJTF-UHFFFAOYSA-N 441.464 0.694 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589491519 PBFWXKHYCJBUTL-JOCHJYFZSA-N 442.541 0.932 30 20 ICED Cc1cc(NCC(=O)NCC(F)(F)F)c(C#N)c(NCC(=O)NCC(F)(F)F)n1 590575344 MYFSTRTZLFMALK-UHFFFAOYSA-N 426.321 1.443 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608912057 MEHHCMKZRUWXLX-UHFFFAOYSA-N 434.433 0.689 30 20 ICED CN1C(=O)Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 729357962 AOHKEQCJARHIKC-UHFFFAOYSA-N 427.438 0.782 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1Cl 730407621 MTQBNYRKLUBHSD-UHFFFAOYSA-N 446.880 0.766 30 20 ICED CCN1CCN(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162959 ZSFLEEBDBFXFKS-GOSISDBHSA-N 435.594 0.894 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 742067619 MFOYPOIARAGJEE-OAHLLOKOSA-N 444.561 0.345 30 20 ICED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 750853902 LRJFGSPBCYWJGU-QGZVFWFLSA-N 435.594 0.990 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 755535960 IZGVPPMPWUZTEV-RISCZKNCSA-N 429.433 0.831 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)n(C)n1 758547081 VAQYBICZLUFDNR-KKUMJFAQSA-N 431.497 0.892 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 761031891 DQNPDGMLOIDAHB-INIZCTEOSA-N 438.550 0.275 30 20 ICED C=CCn1c(-c2cnccn2)nn(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1=S 764903759 ZNTCLXAUWPTDQK-UHFFFAOYSA-N 442.549 0.781 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)c1cc[nH]n1 770822274 OWBCOBVAMKTRLM-UHFFFAOYSA-N 449.489 0.533 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 785524843 RESAULBIBZQVJD-HNNXBMFYSA-N 447.517 0.016 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1 789797633 CABWPYRCLSNIBN-UHFFFAOYSA-N 426.452 0.773 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 794644615 GNXUDIZVNVLBSP-MRXNPFEDSA-N 433.489 0.922 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 811831286 DMAZFFUDXBFHFS-UHFFFAOYSA-N 427.438 0.740 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 855869585 PZMGLONCVRHPEO-AWEZNQCLSA-N 436.486 0.540 30 20 ICED COC(=O)CNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 857763510 HMCLTXJDFZAPTA-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)ccc1F 918684664 TXEOOMCEGMDXMP-UHFFFAOYSA-N 435.484 0.765 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920303234 PJHCOJRRLJMKHR-UHFFFAOYSA-N 435.550 0.174 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1286857355 QRTIDOBSBJOOBX-DZKIICNBSA-N 425.559 0.885 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)N3CCOCC3)CC2)CC1 1320635995 CUKSVDLUVZEUGW-SFHVURJKSA-N 446.577 0.527 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1507779271 MJQIPKAAUVDZOJ-JTQLQIEISA-N 426.362 0.366 30 20 ICED CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1547620729 LEHDHDNSYMONJA-GDBMZVCRSA-N 436.542 0.614 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1 1638644421 XKEWXKFHBYRVCZ-UHFFFAOYSA-N 446.327 0.346 30 20 ICED Cn1c(=O)[nH]c(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C#N)c1=O 1642195874 WAWDLIVJZPZWQL-UHFFFAOYSA-N 429.911 0.561 30 20 ICED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)cc1F 1664251391 UPIKWPPKZMTZBZ-GFCCVEGCSA-N 448.473 0.503 30 20 ICED CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1741093926 RNSXNCRIWZWCBK-QGZVFWFLSA-N 445.549 0.718 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745201291 NVPNUJHMNJQYHO-CGTJXYLNSA-N 442.568 0.958 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747704675 LRROBECQDZIRLG-FQEVSTJZSA-N 441.517 0.736 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCN1S(C)(=O)=O 1770661172 FPEAZMIYGVLOQJ-MGPUTAFESA-N 446.533 0.438 30 20 ICED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c2c1CCC2 1777964050 PTTYGXWVLHAQSA-DHNIJCFSSA-N 428.537 0.824 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1778789635 YVWGUQCGIAWSTI-UTKZUKDTSA-N 430.461 0.375 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946466 XUKQKDYIVVPKIP-JLTOFOAXSA-N 431.880 0.865 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1779122807 LZXPSNMXTDPLNJ-HXUWFJFHSA-N 426.433 0.056 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1780738248 IIOKIRMOMSUHJK-DYESRHJHSA-N 435.477 0.804 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1781111296 LHSWFEBKFBAXOR-STSQHVNTSA-N 447.532 0.458 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)c(C#N)c1 1781175075 XOEUBZWEWDGQBB-HSZRJFAPSA-N 440.500 0.562 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn34)C2)C1 1782486648 BEURXRBPYDLMQM-VMXOYPLMSA-N 437.500 0.945 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1783048318 YTUBOWLKFGCIJA-JTSKRJEESA-N 443.504 0.638 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C#N 1783567841 CQHXXCBUXHWHNX-JOCHJYFZSA-N 425.441 0.877 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1783785918 KCRFMEFBSDPUGK-IBGZPJMESA-N 433.442 0.605 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382141 TYPVHZFCUCQGFH-YADHBBJMSA-N 445.472 0.383 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1786558135 FWOQJYZOWFPPGZ-FKBYEOEOSA-N 446.507 0.843 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788565210 AHNCCINIQPAKSA-QZHFEQFPSA-N 427.505 0.859 30 20 ICED Cn1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788657611 DHZFAGDEFHYBRR-GJPJSVEZSA-N 433.509 0.471 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793803865 FRKZUQFQJCBLOR-UPHUGPLXSA-N 435.521 0.488 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984212 KPNPLPBIJMWJIH-FZKCQIBNSA-N 436.557 0.967 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801760801 RBMAZOCHXJTAJL-QZCFVMSDSA-N 427.505 0.964 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1801993154 HZNIGZXDTKRTHC-REPLKXPHSA-N 439.468 0.981 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1803549261 WEOFVYCGIAQPHQ-AYBZRNKSSA-N 431.562 0.610 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)cc1 1807670404 KUKBHLXWWSQLBU-FKEBYFGASA-N 433.512 0.925 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807741892 GRCNNLSOFBHXEQ-BNLOLNQZSA-N 449.558 0.871 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809964165 RHCDCFPDPFFCST-MRXNPFEDSA-N 442.520 0.836 30 20 ICED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810493438 MRTBLVFNFRSEJL-UHFFFAOYSA-N 435.435 0.869 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1814103535 PRHQSBYPCWRWHP-NQIIRXRSSA-N 432.546 0.926 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1826933683 PQJKSFYPQZXYDX-WOJBJXKFSA-N 446.592 0.898 30 20 ICED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCN3C(=O)OCc3ccccc3)C2)C1 1828811449 ZKTSYKVQOVDQNV-HSZRJFAPSA-N 439.516 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1829769479 VAPGZQJOOARVPM-ICTHTSFCSA-N 431.464 0.754 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462690 GYLLNPSDWCRFQV-SBUREZEXSA-N 442.516 0.472 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830903246 IQMLZYCZQKLYRS-KXTAVISMSA-N 447.444 0.696 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1831388509 UHLDJZGMQHSBIG-WYADAEROSA-N 436.505 0.070 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1831393488 MPPNYYXYQSMMMP-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831396445 MPTFMSRKSIRDHV-VGOFRKELSA-N 430.505 0.328 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831425980 YPXSIOQIZBWMPA-IIBYNOLFSA-N 429.477 0.390 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)c1 1831767045 VDLRKEOYJISXQB-NRFANRHFSA-N 425.445 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1C)CCO2 1831834798 HMTUZMQFFMZNNY-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390341 UZHWAFOXALZVDE-KKSFZXQISA-N 449.508 0.258 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617211 DWVMUTXJCKICIT-HSZRJFAPSA-N 442.516 0.402 30 20 ICED Cc1cccc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1833743937 FSYSSZWHLILMOQ-UHFFFAOYSA-N 426.517 0.982 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1833879629 KGZHOMVTORZMEZ-DPZZJQGRSA-N 445.501 0.386 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835706740 QAYFCPWGTCBHMU-PLMTUMEDSA-N 433.509 0.339 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cn4cccnc4n2)CCO3)cc1 1836893402 QZBAWWBPLBAXFP-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836958685 REQXPPCPRUHBKC-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1837200932 CQOFMYRTLCVRNS-KKSFZXQISA-N 441.525 0.500 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1837397137 RLFHPRUUFOKJPI-JPYJTQIMSA-N 446.548 0.552 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnc1 1837440822 ZXAUWNRQWBJFBI-VSDLEHRUSA-N 432.525 0.372 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccco1 1837525269 SZSCCMZDKSGSDE-HWIIHTTPSA-N 449.460 0.448 30 20 ICED Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1838004716 DAPSKKXYJUKLNJ-XZEIMLRBSA-N 433.509 0.833 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)n1cnnn1 1838411462 RFBCGBLYKPPRLR-QLPFJNHISA-N 443.508 0.945 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(F)nc4F)C3)C2)c1 1838730978 LKKMMTJBVALYDO-HXUWFJFHSA-N 431.399 0.943 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccc5nc[nH]c45)C3)C2)c1 1838736062 HQGBDTBFPJEVFR-NRFANRHFSA-N 435.444 0.541 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cn1 1838950440 VUJFEFHZFBZNDT-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1839174766 VYXBRXHBKMSTDF-JOCHJYFZSA-N 433.505 0.913 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1839362917 XBDCDSXAQUCDHO-QFIPXVFZSA-N 437.456 0.220 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839623174 QDOVQEYNSCOIOL-NRFANRHFSA-N 427.436 0.352 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1839783954 POKRJEIXKDNKAV-WIYYLYMNSA-N 447.513 0.205 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840164577 BEQJKSPWGUNXGF-IFXJQAMLSA-N 443.566 0.818 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840818191 PRRHKBFUFALOAR-JOCHJYFZSA-N 435.521 0.725 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819082 NNYKWXVIYQVHSS-QFIPXVFZSA-N 439.472 0.441 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842340860 UXTPMQYQVUBKIF-CQSZACIVSA-N 429.477 0.916 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1847069377 BVGVJVHVNKMISO-JKSUJKDBSA-N 432.521 0.633 30 20 ICED CCOC(=O)[C@]1(COC)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 467797051 IKBIVWHVEGXWQN-HXUWFJFHSA-N 437.518 0.997 30 20 ICED CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 469952284 GHMJYUBLSRFWFB-GOSISDBHSA-N 430.486 0.864 30 20 ICED C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H](C(N)=O)O1 470026398 BCRWPAMNMQAYBI-VCBZYWHSSA-N 429.521 0.931 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1cccc(O)c1 487338624 XDBBCRNZEWROLU-CQSZACIVSA-N 430.486 0.867 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](CC)CO)CC2)cc1 494359341 ZCLFGDRBDZHZRZ-QGZVFWFLSA-N 438.550 0.347 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1Br 500208148 AGUHKPHSNJVZRQ-LBPRGKRZSA-N 430.280 0.267 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2=O)cc1 503936203 IWVBZHLBVIFIJA-PKOBYXMFSA-N 426.521 0.940 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504700235 XUALOUJWONHJEW-SJORKVTESA-N 447.517 0.694 30 20 ICED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F 510421550 LIFPJUWRGJLSQE-NSHDSACASA-N 430.386 0.567 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 512169592 IAQIMZJJSNCTHZ-QGZVFWFLSA-N 434.543 0.993 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 520789858 HSMPMGGGLBZMSD-UHFFFAOYSA-N 429.477 0.481 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 521250919 JSZJRKSXIRSNAI-UHFFFAOYSA-N 446.485 0.409 30 20 ICED CN(CC(=O)N(CCC#N)CCN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523161490 KVUMXZINBXSXQE-UHFFFAOYSA-N 439.494 0.290 30 20 ICED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 534546142 SAMQXWXLMJPKRR-UHFFFAOYSA-N 438.506 0.626 30 20 ICED COCCCN(C(=O)Cn1ccnc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 534803348 AYRKKCKARIOFHC-UHFFFAOYSA-N 437.460 0.717 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CCCO)CC2)CC1 542057790 KABWSGBNJWNFGF-UHFFFAOYSA-N 434.562 0.876 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1Cc1ccon1 544074192 DPLVIXQPIWXJDT-UHFFFAOYSA-N 445.844 0.757 30 20 ICED CN(CC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544124339 VGRRXTOVXFCYHN-IBGZPJMESA-N 441.513 0.881 30 20 ICED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 544365693 OYSKZNAVYGFPMD-UHFFFAOYSA-N 442.457 0.995 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](C)O)cc1 566611906 QMSRHEXTKKZOLV-JXFKEZNVSA-N 443.529 0.638 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 567153396 YUEDWICPUKNTOP-MOPGFXCFSA-N 437.504 0.962 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)n1 571304396 LVZANDGUCZLPIC-UHFFFAOYSA-N 448.527 0.750 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 581422098 SHLMYYIGCIIAFN-APWZRJJASA-N 430.490 0.189 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)C2=O)cc1 582336457 LZPFTSXZMPXGGK-IBGZPJMESA-N 443.467 1.054 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 586864274 PZBXQWUKOYZITQ-QGZVFWFLSA-N 433.465 0.528 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC(CN4CCOCC4)CC3)CC2)nc1 587659623 UZTPSXRXAWNIQD-UHFFFAOYSA-N 440.548 0.609 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1NS(C)(=O)=O 590284956 NASHNMDVSLXWBB-UHFFFAOYSA-N 442.501 0.921 30 20 ICED N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 603640221 UDBDNNWDQHTIFM-UHFFFAOYSA-N 438.487 0.086 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCCC(=O)OC 604505996 XTMWGMVFTNZMOR-UHFFFAOYSA-N 447.463 0.946 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609121767 ILDDAZNLSGGNJD-KRWDZBQOSA-N 443.485 0.802 30 20 ICED CCCCN(C(=O)CN1CCO[C@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 609280886 UJOXPHBVJIAWSF-QGZVFWFLSA-N 440.504 0.937 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)cn1C 609457234 OXUSNWXXJQIYLV-GOSISDBHSA-N 436.582 0.822 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 610798076 UAUONKJBXSVBHL-INIZCTEOSA-N 433.534 0.975 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 614999807 JYESKLGBFJTRMT-UHFFFAOYSA-N 442.497 0.975 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)c1 615635949 ODYVVGCKAWICJC-IBGZPJMESA-N 440.497 0.474 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 728572572 KHBMGALANTWNCG-GOSISDBHSA-N 427.549 0.401 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729120448 HBDDCWJJONVUKQ-UHFFFAOYSA-N 448.295 0.868 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2occc2Br)c1=O 735295516 ZBMHHOGZSOFLQZ-UHFFFAOYSA-N 440.319 0.939 30 20 ICED C[C@@H](CC(=O)OCC(=O)NC(=O)NC1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 745495054 FFBBCDBQTCJLID-LBPRGKRZSA-N 436.490 0.815 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1OCCN1CCOCC1 746175775 WYPWDQRBRWNQKB-QURGRASLSA-N 428.489 0.930 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)s2)c1=O 748791477 UVTIEZJBDGZQKZ-UHFFFAOYSA-N 446.579 0.568 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 749647365 IQJFDAKBFRYCMH-UHFFFAOYSA-N 445.497 0.878 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C#N 753437864 AWSZSKCOWQCKQZ-CQSZACIVSA-N 437.478 0.605 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN(C)C(=O)C1CC1 759277885 CMSIXHYEXDBXGO-UHFFFAOYSA-N 426.429 0.778 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 772314855 QAMJPBUZQLPVQT-UHFFFAOYSA-N 446.554 0.514 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 775005905 ABFVSAHTNKXGLX-GOSISDBHSA-N 441.488 0.512 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2nnn(C)n2)cn1 783005519 DDPYOGDWXJCXQF-CQSZACIVSA-N 448.557 0.016 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 783479616 FHNTXNLZMCIOCE-MRXNPFEDSA-N 441.531 0.426 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785659006 RPPFYSAWZALGNP-MRXNPFEDSA-N 446.529 0.965 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 789797813 UWOMGHGAFOVHPR-NGIIGVMLSA-N 447.517 0.177 30 20 ICED C#CCC[C@@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 798420861 DDOOQKNCSUOECM-OAHLLOKOSA-N 426.495 0.392 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 801291322 RIBDCKJJSWVABQ-UHFFFAOYSA-N 444.473 0.879 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(=O)OCC)c1 805698760 XFABVQKYPFKFHN-QGZVFWFLSA-N 436.486 0.699 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 813681942 VSKHWGBRLPNZMT-UHFFFAOYSA-N 437.499 0.828 30 20 ICED C#CC[C@]1(C(=O)N2CCC(NS(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 816467891 RNUWRTNZLIMSGQ-LJQANCHMSA-N 428.555 0.824 30 20 ICED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918174683 VTUWZUASDMGBSE-UHFFFAOYSA-N 434.539 0.688 30 20 ICED CC(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918246539 WDHZXUYLLJQVNP-XQNSMLJCSA-N 437.522 0.326 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1307771094 YIYCDVGGCGYAMF-CYBMUJFWSA-N 431.565 0.315 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CCN1S(C)(=O)=O 1316503529 XVXFZNIRMNBWSL-HNNXBMFYSA-N 448.549 0.970 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ncn3nccc3c2=O)cc1 1318437699 YUCOQUIMJOXOEO-CJLVFECKSA-N 429.462 0.343 30 20 ICED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508688363 HIZOJEXXNYTNSD-HZPDHXFCSA-N 449.581 0.619 30 20 ICED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1619769130 VTLPHQRLGBEFGC-KSSFIOAISA-N 428.559 0.806 30 20 ICED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1641220408 VLJIAPOHFQLDED-UHFFFAOYSA-N 434.250 0.576 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc(C#N)cc3=O)cc2)C[C@@H](C)O1 1644037173 JJHVZFHCETXSAP-ZIAGYGMSSA-N 431.474 0.552 30 20 ICED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1653982268 MGFJOYDRPXNBFS-UHFFFAOYSA-N 432.481 0.813 30 20 ICED CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1680205939 QPFXJTNVRUGUOH-MOPGFXCFSA-N 440.504 0.799 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C)COC1 1692536017 MSAFHTISISHPAJ-OAHLLOKOSA-N 439.524 0.830 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723110388 ZTVSHQHTFXRFKO-OXFYSEKESA-N 436.582 0.764 30 20 ICED CN(C)C(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1729303335 YDAJVDVQNMKLSV-INIZCTEOSA-N 446.533 0.946 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740745372 SSBFQJHFPCRRQI-NWDGAFQWSA-N 432.344 0.756 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C)(C#N)CC2)CC1 1749883059 LRNHPGKVRXRMDN-UHFFFAOYSA-N 442.568 0.808 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCO1 1769516378 LJULRHMYABIIRG-NQIIRXRSSA-N 429.477 0.732 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1770744953 PKTMLXHEJASZLP-LBPRGKRZSA-N 434.444 0.599 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCOCC2)c1 1771532087 OWCWEPOKKLTJSL-UHFFFAOYSA-N 428.518 0.634 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1778975154 MIWGQDOLJWVQRS-XXBNENTESA-N 445.564 0.735 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779062460 KLPXNEZWZHTOMU-JOCHJYFZSA-N 429.473 0.228 30 20 ICED O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1779229769 KLJVDJGNAHIZEP-IUDSFTMFSA-N 445.564 0.807 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779314655 JHXRMDRMSRLGQM-DENIHFKCSA-N 444.488 0.161 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1779424163 WKDNEVGGOTYPRG-CXILCQDGSA-N 427.498 0.038 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1781048389 ZRDDCXIIRWBRMC-IVZHQMGZSA-N 436.509 0.647 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1781398855 XKCMCAUIEZOHMF-HTAPYJJXSA-N 446.552 0.963 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c(Cl)c1 1781967447 CMNGEZOANUHRJM-OXQOHEQNSA-N 433.896 0.248 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015395 KYJNBTPAUBQWDL-QNFHRHJVSA-N 432.473 0.344 30 20 ICED COCCOCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782186754 IIICEVQDNRWJSK-MBOZVWFJSA-N 432.583 0.888 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CC1 1783346413 GGSNHVYOUJGIKO-QVKFZJNVSA-N 449.504 0.646 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784157167 YBSKESYCHWGKMH-UZUQRXQVSA-N 428.485 0.884 30 20 ICED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784366239 WXQLVQMUTQHCAC-VJANTYMQSA-N 433.549 0.579 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539879 RCKPCCYGYLJKFN-FZKQIMNGSA-N 427.548 0.268 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)n1cncn1 1788637470 UIXGEMPSELYDNM-XWSJACJDSA-N 429.521 0.517 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)o1)C2 1792489897 AISGMMQZUCOTFF-XTLOUAGDSA-N 430.461 0.300 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796887737 NEJYVIDVCSLVMS-BJWYYQGGSA-N 439.582 0.332 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614918 KNHAGXQZEKGJIF-XXGILCFXSA-N 438.484 0.361 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816169 HEXWXVVDOSJMFF-WHJTTWIBSA-N 441.481 0.667 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798422099 CJPBVRFSTWKJDX-CCWDJLKJSA-N 427.461 0.442 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1799402708 YSPOOZKPXIYYDN-RACNMONISA-N 445.472 0.774 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CCC2 1800047838 WGDYXTZVRLSEOP-CCWDJLKJSA-N 430.505 0.621 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H](O)Cc1ccccc1 1800634713 PAEVRTVKEJRUEH-CODYHLQSSA-N 428.533 0.651 30 20 ICED O=C(Cc1ccc(O)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801461895 IUQZWWDAKIYXEN-LQGWMBBRSA-N 432.477 0.448 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1801966110 NSDUZYIBNRZZCW-HGKCTWBKSA-N 435.525 0.042 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1802488388 VSVPINFHGHECPX-GLPQSPQZSA-N 436.472 0.343 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347665 HJBCWFFFSPEAMY-MBOZVWFJSA-N 425.489 0.879 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)ccc1F 1807059092 MDRIKZMNJBWKBZ-IERDGZPVSA-N 437.479 0.824 30 20 ICED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807112087 FQTOQDZWOBOICE-OFNKIYASSA-N 430.512 0.979 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1808241038 IMKVUUFLXWLZRJ-SXWKCWPCSA-N 432.480 0.890 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1814103850 YGODDENDGNNYET-YWZLYKJASA-N 441.513 0.966 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(F)cn3n2)[nH]n1 1822202902 DFHWXNLKVBJFCS-ZDUSSCGKSA-N 425.380 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803575 FJJQRRJUMZHUHP-IRXDYDNUSA-N 445.497 0.904 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 1829262689 WNVPYXGKBUCSDK-HSZRJFAPSA-N 435.484 0.968 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225500 VDLOMNXYQYWQRO-PWHSHALESA-N 430.501 0.612 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1831386620 BDVCWIGZJOBYEC-TVTNDZMWSA-N 437.537 0.032 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1831392452 MCKKFSYHNRKYLZ-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831393927 SDHZDXBBCQYUJX-VNZMSGEBSA-N 441.528 0.196 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1831396044 HKQIKHRFIKJCCM-SVMVAKDDSA-N 430.505 0.377 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831485742 ZXEAMRHVWOLSTL-VQIMIIECSA-N 425.507 0.110 30 20 ICED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)cn2[nH]cnc(=O)c12 1831670064 YKSCOOSIEQRRNU-KRWDZBQOSA-N 439.472 0.652 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022559 BRUPLANMUSSQEY-QHCPKHFHSA-N 447.532 0.750 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784612 SLTACWAQSHQOAT-UHFFFAOYSA-N 431.497 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834177121 FZJMWDPLINIUCS-VKUXZERMSA-N 448.907 0.663 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834600951 HYSOORNSZCXPCN-IBGZPJMESA-N 448.520 0.357 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768687 JTIQSLSLGMRUOS-KKSFZXQISA-N 436.509 0.756 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1835099426 IJFKDNBAJLQMLX-XMMPIXPASA-N 445.479 0.851 30 20 ICED C=C(Oc1ccccc1O)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835116001 UHVVLAGSBPOWCP-UHFFFAOYSA-N 441.484 0.944 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1835353971 ICEXCULSNFDTNX-NRFANRHFSA-N 442.451 0.780 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC)cc1)CCO2 1835601473 DXMJYIXDZAXDES-AXKGWLQCSA-N 442.516 0.657 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836994784 BLEWAQBFAUTWIK-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837396286 ARIBNMDWPXGIQE-GCJKJVERSA-N 443.504 0.372 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837442156 QRSZWXMPVAAOAX-UKKLRFBMSA-N 432.477 0.182 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1837664719 WCYXKXGJTRDBBN-AVRDEDQJSA-N 439.553 0.086 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1837844684 MDKRNZWCKCQANH-UHFFFAOYSA-N 426.521 0.962 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1837962317 ZJQVKXGFOPEOCZ-UHFFFAOYSA-N 431.445 0.096 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)ccn1 1838718709 DOYUEOWVOOHJAD-QFIPXVFZSA-N 444.488 0.878 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1838951568 XXKLVGNKSYVWDG-XBKFQHLESA-N 438.484 0.463 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839224717 ODOFTDBYEXQCDV-LIRRHRJNSA-N 439.538 0.646 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn5cccc(F)c45)CCO3)C2)CC1 1839619021 NXWOINNKEKDSLZ-OAQYLSRUSA-N 427.436 0.847 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1)C(F)(F)F 1839892301 FWQSTHMGGZLORQ-YJBOKZPZSA-N 428.411 0.656 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4occc4c3O)C2)C1 1840044663 QBRIGGYYINUZII-OAQYLSRUSA-N 428.397 0.296 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840088405 CSIIQZZJEYLPRP-QVKFZJNVSA-N 436.509 0.660 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840819797 FSDDWYNSHJGGFQ-NRFANRHFSA-N 441.444 0.136 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCOC2)CCO3)cc1 1840871392 GISVKFGQOHGOSY-REWPJTCUSA-N 427.501 0.984 30 20 ICED COC(=O)CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662594 LTXZWRNZAABGKE-UHFFFAOYSA-N 437.474 0.181 30 20 ICED COc1ccc(CNC(=O)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 109162325 VYRFJESSYOXXJE-UHFFFAOYSA-N 430.486 0.620 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)C1=O 116552189 JZHXTVCVJHJUJF-UHFFFAOYSA-N 427.461 0.380 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)CN2CCOCC2)cc1 435254045 NYJBAINOCVNVGA-MRXNPFEDSA-N 438.550 0.611 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 437024967 WXANQVUJKQSMSQ-GGXPGOJBSA-N 433.509 0.555 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCO1 461170439 OMQXPBZTHLULEJ-CVEARBPZSA-N 439.524 0.972 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 464219021 OZNWZJFQDQIKNV-UHFFFAOYSA-N 431.536 0.628 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476451939 MGSGDSMDFKKJRH-IBGZPJMESA-N 425.489 0.246 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2=O)cc1 476460290 MJMRRQBYEVWAHX-LJQANCHMSA-N 439.516 0.731 30 20 ICED N#Cc1c(CCCNC(=O)c2ccc(S(N)(=O)=O)nc2)nn(-c2ccccc2)c1N 479301149 FFRJNFHOFMBFSR-UHFFFAOYSA-N 425.474 0.731 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)n2)c1=O 479382398 CHSIVICYWUCHPR-UHFFFAOYSA-N 430.530 0.768 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 484369777 NWNZLLCHDIOIIJ-OAHLLOKOSA-N 435.431 0.863 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C)c1=O 488979999 IQZUGCRMBJTDTG-GFCCVEGCSA-N 429.454 0.862 30 20 ICED C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 490247784 MNCDUERQXWCEDU-LREMKWBOSA-N 436.468 0.326 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 502032455 QFBZHAMDTZCKTF-ZDUSSCGKSA-N 440.522 0.750 30 20 ICED Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1S(=O)(=O)NCC#N 518217211 VOPQWWARALGPDF-QGZVFWFLSA-N 435.550 0.469 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)C1=O 523000027 QKJNVRKPVBRSFI-UHFFFAOYSA-N 427.417 0.864 30 20 ICED Cn1cc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2=O)cn1 537167283 AWLABOSSIYACJE-KRWDZBQOSA-N 427.534 0.539 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n1 539137689 YTYVRUOGYKCTJL-UHFFFAOYSA-N 429.525 0.605 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539181554 NGOPYOHCBCTGSA-INIZCTEOSA-N 443.552 0.993 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)n2)c(F)c1 549790906 BCQBDXRSQJBMIW-KXBFYZLASA-N 441.463 1.505 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)C1=O 551054643 FGAARJIHQQUXFX-UXHICEINSA-N 428.533 0.730 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(N)=O 556019394 KRWMVRYUSUCVRG-UHFFFAOYSA-N 428.514 0.132 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1Cc1ccccc1 557942559 BYVYAYDWMFCCMJ-HXUWFJFHSA-N 433.516 0.798 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)cc1 562151399 QCGYMNKZXQETOT-UHFFFAOYSA-N 428.470 0.717 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)cc1OC 569718134 YKQDKXWSDSJSFV-UHFFFAOYSA-N 448.505 0.384 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 604164950 PCHXTKMPBGFQQT-UHFFFAOYSA-N 434.396 0.542 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C 604269085 KSYLODKOIYLVPE-UHFFFAOYSA-N 426.542 0.726 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609128718 BUKRVFHVTINLSR-LJQANCHMSA-N 437.504 0.502 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 609336787 KNYQPMFVWDSPKW-UHFFFAOYSA-N 436.494 0.599 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2F)c1=O 609350409 PXVZJAGFFYMXCY-UHFFFAOYSA-N 447.463 0.923 30 20 ICED Cc1nc(=NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n(-c2ccc(C#N)cc2)[nH]1 610233328 ZUHPLDYHUGVSER-UHFFFAOYSA-N 447.440 0.533 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(F)cc2)c1=O 684535238 MBHJYWQQKYJMJB-OAHLLOKOSA-N 443.500 0.636 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 728571010 SZVXGANSABZYGQ-GOSISDBHSA-N 427.549 0.863 30 20 ICED COc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)c(OC)c1 732155030 XHCQOVSKBNJODZ-XROMVWTOSA-N 428.445 0.699 30 20 ICED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907618 BMSQGLWZGWEUGD-OAHLLOKOSA-N 433.515 0.634 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 734567116 IXMFKJLUQCNBGW-QGZVFWFLSA-N 432.458 0.301 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)cc1 743942112 AWODEVQFMLKBIJ-BUVGWWEQSA-N 445.545 0.911 30 20 ICED COc1c(F)cc(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1S(N)(=O)=O 746573022 BFULZEUVUIQIBI-UHFFFAOYSA-N 435.433 0.755 30 20 ICED COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 750291326 HVCSYNANPLPHTF-UHFFFAOYSA-N 425.449 0.137 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 753990924 QNCXZOWRTQOBNX-SFHVURJKSA-N 437.518 0.536 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 756451692 KKWMTUFVCDPVSE-JTQLQIEISA-N 437.503 0.691 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 756757570 CLYVKGKIRFASAZ-OLZOCXBDSA-N 426.499 0.808 30 20 ICED CCOCCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 757635628 YVPPAQZKITZJEX-CAPFRKAQSA-N 446.551 0.394 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 761033499 XXQSWLBRBHOMLI-ZDUSSCGKSA-N 429.340 0.861 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccn(C)n2)c1 761074176 RXAOHJKQXNUYRZ-QJOMJCCJSA-N 432.506 0.530 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCCC)c2=O)cn1 772274083 ABOJWRXNKKVQCR-UHFFFAOYSA-N 440.573 0.674 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 773050667 KYFKILJIAAGWKD-MRXNPFEDSA-N 437.518 0.964 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 779560721 SRLXELCIIUDLPT-BBRMVZONSA-N 446.533 0.868 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 782810073 JNGQJPGAHHLBSH-UHFFFAOYSA-N 438.488 0.948 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1=O 793986656 OFDNDYHPCJEWHW-QGZVFWFLSA-N 428.515 0.401 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794642226 KDPXBSVDUKNRQA-RDJZCZTQSA-N 440.525 0.742 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCC(CNC(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 794923376 OQFYJGHWBBPTRM-UHFFFAOYSA-N 443.526 0.433 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 811489992 JTPKXOTVQCKKJT-UHFFFAOYSA-N 432.424 0.754 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 895906771 VTKWJADKZTZCKY-NSHDSACASA-N 431.492 0.326 30 20 ICED C=CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1116004011 WYHLDKPLPOCUIP-GOSISDBHSA-N 437.562 0.995 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O 1290865229 NCFPCDFSJUGSBJ-GOEBONIOSA-N 445.553 0.387 30 20 ICED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)c(CCO)c2=O)n1 1292703983 PFSYKPHWMZHQIT-QGZVFWFLSA-N 427.509 0.413 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1509748114 USKBPKAXNWQCJC-HNNXBMFYSA-N 445.549 0.811 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1596831683 PMGSKZOOVNIFME-DDUZABMNSA-N 426.543 0.368 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)c1C#N 1633056575 YOVPLNBFKCKHBP-UHFFFAOYSA-N 435.485 0.147 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1696578468 JJVQRRYOHQELGV-MSOLQXFVSA-N 442.568 0.912 30 20 ICED CC(C)NC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1741701920 RKPWAHUMCLOSLW-JKSUJKDBSA-N 439.524 0.683 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nccs1 1741944108 KQGIZIZVTOFRFV-QWHCGFSZSA-N 425.540 0.706 30 20 ICED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1769542708 JCBYHHWXIIVTPO-JLSDUUJJSA-N 428.559 0.806 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1778257271 IGIWIPCAADNDLB-QHCPKHFHSA-N 444.963 0.769 30 20 ICED O=C(/C=C\C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NC1CC1 1778831680 HCKDXRHFOALNKX-KSEXMQBYSA-N 429.517 0.350 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067182 QHSVGUMQIOKHHN-UNMCSNQZSA-N 436.505 0.131 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1779420219 QOOSBMGEOSMLFJ-OMQKYYQLSA-N 447.492 0.839 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780037450 LIZPVXFTPZDXIQ-JOCHJYFZSA-N 435.440 0.102 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1781302295 MDNIAQQISODMGW-BTYIYWSLSA-N 426.452 0.922 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793817 VGYHMLWQCCRBHI-DENIHFKCSA-N 428.489 0.347 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783127060 NIHUWESULMIASZ-JBYIUTFZSA-N 449.504 0.689 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567462 QFHNMYDRWWOAQV-OPAMFIHVSA-N 449.504 0.694 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1785016192 REVVZPGORJHVKS-XSLAGTTESA-N 442.534 0.380 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccs4)[C@H]3C2)c1 1785336183 HIMPKZXJDOYOGA-ZOBUZTSGSA-N 441.513 0.971 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccccc4C(=O)OCCO)C[C@@H]32)CC1 1786696555 CJIKQRWLYHFDTN-SNRMKQJTSA-N 441.484 0.733 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788725825 BEOUYPVWFULLGK-XSLAGTTESA-N 433.509 0.403 30 20 ICED C#CCCC(=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 1789810654 ZFUQFXGURRBVGW-VMXHOPILSA-N 449.548 0.607 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Cl)ccc4c3OCO4)C[C@@H]21 1791077026 VXFCXTOSOJVQDQ-HUBLWGQQSA-N 434.832 0.750 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791894763 IRPLBJDDFWUCCS-VJANTYMQSA-N 429.517 0.952 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1792171297 NPBNOJJUMKIXGC-FJIDUMEYSA-N 437.537 0.655 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2 1792490214 PJWSSJPLKJRUSP-LTUXPVQVSA-N 437.562 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1792563973 HMFZEFJQGWARDG-XMAVLESPSA-N 433.534 0.285 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)C2 1793339916 AJZGROQXNFJBEZ-XIKSMUEASA-N 443.500 0.712 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC(=O)N(Cc4ccccc4)C2)C3)CC1 1795408058 LXDILAPVBIMEAV-WERVVEIQSA-N 436.512 0.928 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795420082 YYVMWXXCRCOZJQ-RIUYPTKQSA-N 436.509 0.108 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)c1 1797611376 PXYZBSNHXYYNSJ-BSQMBTRLSA-N 436.512 0.915 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nn1C 1798758031 LLWHOJWTDGNECF-BNAVPPKKSA-N 435.481 0.161 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2ccnn2)c(O)n1 1800265813 MWWYOGLQZTZMFS-GGXPGOJBSA-N 440.504 0.962 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1c(O)nc3ccccc31)C2 1800778629 LTGMBRNZMZMVQA-USGNIVHTSA-N 440.456 0.200 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1800994022 CDHOLZZKUJQUCI-XEMDLRDOSA-N 437.537 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cnnn2)[C@H]1c1cccnc1 1802500258 YKVVCYSWCNHGJX-MUFWYDAFSA-N 438.492 0.194 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1808439426 PEEVXHGYPLGOGD-XLIONFOSSA-N 426.477 0.889 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810359604 ZMJHVNUDSFBAAG-RIJDZXSRSA-N 428.445 0.704 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H]1c1cccnc1 1812873413 BNQOHNLHUIXRAP-YWZLYKJASA-N 440.481 0.667 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1826892749 OCOLXNDUFATCED-ROUUACIJSA-N 434.585 0.481 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNCP(=O)(O)O)CC3)CCC1 1828008883 ARTTZMULOHWOGV-JTQLQIEISA-N 427.423 0.474 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1830061729 UMVZVRNEGDJGBS-JOCHJYFZSA-N 439.472 0.955 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1831392977 SDHGYUQSVIZIQE-SBUREZEXSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1831399684 YZPDPLACGFSMMU-AOMKIAJQSA-N 444.463 0.582 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1831405772 JHRPMQAKSPMDRV-ROUUACIJSA-N 438.443 0.739 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1831424902 NPCQHNIGIHNSRR-BEFAXECRSA-N 426.901 0.584 30 20 ICED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831483065 RRNSWSVMIRYUGO-LJQANCHMSA-N 427.611 0.812 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833073719 BAYSUCJJJXZRHD-WAYWQWQTSA-N 441.532 0.364 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)n1 1833882532 SRKZKVOZTPNAHK-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736337 YGGFRYVHYKEJPF-UXHICEINSA-N 433.597 0.919 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834769034 WSRBGLIDFJDEGF-HVETUWLQSA-N 448.520 0.756 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681500 ZSMJTFXBMQUVJH-CVDCTZTESA-N 449.596 0.597 30 20 ICED N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1835701640 LXSLRRKZWIITTL-PHBSZKRHSA-N 441.488 0.250 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)c1ncon1 1836046292 XUYSYFGPGFMRTP-MNOULKQQSA-N 434.497 0.784 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1836302674 KWXHKDPVBZOFEP-NRFANRHFSA-N 442.451 0.437 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)/C=N/N2CCCCC2)CCO3)no1 1837443977 OCUPZJIPCONGKD-LBBTYXALSA-N 445.520 0.924 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837486418 OBMNIUKWMUJRNZ-FVJLSDCUSA-N 448.524 0.534 30 20 ICED CC(C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524749 LXJVBPIPXKDYAE-RRPYSREYSA-N 441.525 0.787 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564399 LGFLCPFZKDMTRP-BAANAVDVSA-N 433.505 0.728 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838737415 SPSZOQCPSJNALB-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(N4CCN(C)CC4)CC2)CCO3)C1 1839106177 IDSKJSMNEFDUKS-QFIPXVFZSA-N 432.565 0.189 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccon4)C3)C2)c(C#N)c1 1839132134 UZORHEMYVBFSPF-QFIPXVFZSA-N 440.456 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839173412 OFKVYZPSBKYDMR-JOCHJYFZSA-N 448.520 0.237 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)ccc1F 1839185510 DRRYDADPYFNZKI-QFIPXVFZSA-N 429.448 0.675 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n[nH]1 1839488696 FFBQGQPOVUHREM-QFIPXVFZSA-N 449.471 0.850 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5ccnn5c4)CCO3)C2)c1 1839570808 JGRYPLVGEKMULR-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1)C(F)(F)F 1839892311 GKUHUMKKMFQSAQ-SFHVURJKSA-N 429.395 0.423 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)C(F)(F)F 1839892586 VKQJRWCCKNCTNZ-KRWDZBQOSA-N 431.367 0.681 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840433618 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C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1847580304 UTTFEIWRDWTNCT-HNJRGHQBSA-N 447.557 0.902 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(O)cc1 1848128692 CKJGWWVJKOHWRR-YSHGAJCASA-N 438.484 0.689 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848217879 OJHHOUBQNXGVEG-JQFCIGGWSA-N 444.488 0.704 30 20 ICED O=C(CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 427001301 ITKDZSGYDSALDO-SFHVURJKSA-N 443.491 0.978 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(Cc2ccccc2)c1C 428785621 HBJQSGJHUIDSMV-GOSISDBHSA-N 434.500 0.606 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 429197350 OOAWLPPRHDKKCP-UHFFFAOYSA-N 436.538 0.751 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435245777 DJFPMAUMOGWAAK-CQSZACIVSA-N 430.896 1.515 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)s1 435419029 SVBOAVKYSCJZBA-UHFFFAOYSA-N 432.471 0.759 30 20 ICED C[C@H]1CN(c2ccc(C#N)c(N3CCS(=O)(=O)C[C@@H](C)C3)n2)CCS(=O)(=O)C1 436379679 RIOKCABGTPUUQS-GJZGRUSLSA-N 426.564 0.695 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 438721281 DRCPRMAITWTYNY-UHFFFAOYSA-N 431.518 0.567 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440387260 UCGSRMFNMBFVKE-UHFFFAOYSA-N 439.541 0.744 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@]23CCOC3)CC1 441344341 DVNVSKAFBMDADG-OAQYLSRUSA-N 427.461 0.946 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)c1C#N 460392014 WNANWKFBHWDNBP-UHFFFAOYSA-N 435.535 0.528 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2OC)c1=O 461338124 FWWJVVFEDNTFHT-UHFFFAOYSA-N 429.473 0.605 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)n2)cc1 464123151 QMABBYZLDATBMS-FQEVSTJZSA-N 445.483 1.342 30 20 ICED COCCOc1ccccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472850655 GBICYDDHFXTNPM-UHFFFAOYSA-N 426.477 0.913 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 480432647 AWLOWTLBJOFFKM-LLVKDONJSA-N 442.544 0.511 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(C#N)cn1CCOC 481354131 ZIGIZPXXCIHKSF-ZDUSSCGKSA-N 427.483 0.468 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nc1 484779374 DRGKMSFDRQSULX-CWTRNNRKSA-N 426.458 0.867 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 512438549 GWNNETRZLZDXSE-NRFANRHFSA-N 447.605 0.826 30 20 ICED N#C[C@@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@]12C(=O)Nc1ccccc12 513661620 UCIDCIPQQMBPPA-MWTRTKDXSA-N 433.468 0.512 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O 523704490 GQNADWZNKQILOM-UHFFFAOYSA-N 429.433 0.409 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 524344167 KHGHTGULLCFRFP-UHFFFAOYSA-N 435.303 0.281 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 550799292 FOLJCUGPDAZWQR-SFHVURJKSA-N 436.472 1.542 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(=O)c2ccc(C#N)cc2)c1 552320469 MLLWLRZEZLRDFP-UHFFFAOYSA-N 430.486 0.750 30 20 ICED CN1C(=O)NC2(CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)C1=O 553661101 KMPPYHMZRCFLCX-OAHLLOKOSA-N 430.534 0.473 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 554364646 FNIWLCQSAWPFRV-UHFFFAOYSA-N 448.957 0.127 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 559007874 UXGPENIYDASLFQ-KRWDZBQOSA-N 448.549 0.723 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@H]2CCOC2)cc1 559241334 LNCDFSPGGIZMPN-QGZVFWFLSA-N 448.491 0.189 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 561617558 PTTSBFDOCOWHCU-INIZCTEOSA-N 447.923 0.008 30 20 ICED CC[C@@H](NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)N1CCOCC1 573517561 FWNQQFHLXWOHSX-LJQANCHMSA-N 428.489 0.682 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOCC 589653450 AVKPFSNJAFXGRL-UHFFFAOYSA-N 431.489 0.899 30 20 ICED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 616694964 QVWZRZMIRKDOAI-OAHLLOKOSA-N 441.531 0.291 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nc1 730892869 XXPHFDBCUYJYGD-UHFFFAOYSA-N 444.469 0.447 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 731861707 KXYJPMIPEXGRHR-AOMYARPXSA-N 438.440 0.718 30 20 ICED CN(C)CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 737306294 MXLXKEAFNBLBBD-ZCXUNETKSA-N 449.895 0.862 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)NCc2cccc(C#N)c2)C(=O)C1 741374102 OYRAKLWFKVTKNC-UHFFFAOYSA-N 430.461 0.797 30 20 ICED C[C@H](CC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 746993739 RLUPNSISYAVQBK-CZUORRHYSA-N 435.502 0.827 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)CC1 748823591 AXYWZFIFMMTHFT-UHFFFAOYSA-N 444.532 0.248 30 20 ICED Cn1cc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)cn1 750074983 DUVJTDBHDHYANE-UHFFFAOYSA-N 430.490 0.114 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc2n(C)c1=O 755846192 IMSPYOYAXKOPTH-BXUZGUMPSA-N 443.464 0.513 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758054250 KHAQFDMWUTUTAS-UHFFFAOYSA-N 435.509 0.907 30 20 ICED O=C(O)c1cn(CCOc2ccc(C=NN[C@H]3CCS(=O)(=O)C3)cc2Cl)nn1 763099882 GNUSDLJTJLGSBU-LBPRGKRZSA-N 427.870 0.819 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O 767633420 ATWMTJATLJYXRE-ZDUSSCGKSA-N 434.474 0.633 30 20 ICED Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 782955404 IIBQSQUZNLGEOS-HNNXBMFYSA-N 443.489 0.782 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(OC)nc1 783038468 APUTZTIQLLIAIX-JTQLQIEISA-N 433.412 0.836 30 20 ICED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784415891 QSDVCYOOLGLWBE-CXJVOSNZSA-N 449.533 0.421 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 785284789 MJUSRGZBMUVBDT-RGTXSCMUSA-N 429.429 0.868 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 786995548 DYHOQQJYLXIWFS-NVXWUHKLSA-N 434.518 0.884 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 786998951 RTBMNNFHKKTMMM-DLBZAZTESA-N 446.529 0.982 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 789793811 QKATVULSYORYOB-UHFFFAOYSA-N 437.500 0.905 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 792278606 UTXOHUAOVRKLJI-LLVKDONJSA-N 430.841 0.853 30 20 ICED C[C@@H]1c2nncn2CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 792358640 SQHJHOIKCGGNPQ-OETDOYICSA-N 445.505 0.633 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 804061656 ZQVTVSPIHFIPSK-RBUKOAKNSA-N 448.527 0.734 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813984828 CLHBBXOGWOYCDX-IBGZPJMESA-N 443.441 0.234 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 856683672 HUAHTBXWEWBYSX-AWEZNQCLSA-N 438.502 0.786 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 916173241 NTDUNPDHRUDYBU-UHFFFAOYSA-N 427.446 0.689 30 20 ICED N#Cc1ccccc1OCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 919076873 OZDDOHOTPCIQEX-UHFFFAOYSA-N 429.454 0.915 30 20 ICED CN1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919082805 KPKPJJPIFABFAM-CYBMUJFWSA-N 427.417 0.476 30 20 ICED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1290859356 QALCYBCYOZYKNG-QGZVFWFLSA-N 430.538 0.604 30 20 ICED CN(C)C(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1297988649 OHZIIFGXMLDZAD-QGZVFWFLSA-N 439.524 0.659 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1298013318 KQMFGXSJOROJCU-IBGZPJMESA-N 439.520 0.442 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCO[C@@H](C#N)C1 1318328074 SUIZNGVZRZDMOE-IHSLIHKDSA-N 441.531 0.131 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)C[C@H](C)O1 1319319055 YIWGSBDLAMIFJW-HOTGVXAUSA-N 442.563 0.413 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 1320664829 NYXPIFDAEQZMNR-KXBFYZLASA-N 436.538 0.168 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)CC1 1328076508 SZWWUUTXJLTWNU-UHFFFAOYSA-N 432.565 0.470 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)CCCO1 1510217298 IBLXDEQPKANXMA-GMBSWORKSA-N 437.570 0.634 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1515904944 ZNIIMGZIRSJZKK-BRWVUGGUSA-N 440.618 0.653 30 20 ICED COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519236239 UMQAGTNYQQFYHH-FOIQADDNSA-N 433.488 0.337 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541711565 AELXLIYLLUMBRJ-INIZCTEOSA-N 445.553 0.239 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1546580399 WWXPJWSALAPULV-MRXNPFEDSA-N 431.522 0.471 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1555389899 STAKGSCGVVWXGW-GOSISDBHSA-N 426.477 0.527 30 20 ICED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1=O 1555576646 UREWAXFVMWVJRP-KRWDZBQOSA-N 437.504 0.590 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1648043788 VBIDCUUSLYWSIP-OALUTQOASA-N 437.541 0.678 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691206636 MKDPYFOFNQWOKC-HZPDHXFCSA-N 428.541 0.711 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cn[nH]c1 1723952144 HQUGNKSAIHXEGS-CZUORRHYSA-N 433.542 0.031 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778710731 KMRWOCHHNKMSMU-MWTRTKDXSA-N 441.484 0.838 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779121045 XAVKYEPFXVXFRU-NRFANRHFSA-N 434.493 0.526 30 20 ICED COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779417841 LNNDKJQKEGYVKT-LVYKEOCBSA-N 427.498 0.648 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781097399 CGYKYEIBLHMBNI-FDDCHVKYSA-N 425.533 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1781269883 SGBIPNDLDDHOGI-NRFANRHFSA-N 432.477 0.828 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)ccc1F 1781301822 GOMDRMKZZWXVSK-NRFANRHFSA-N 426.452 0.752 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781852776 HZFLCJRYDCMHFE-NJSLBKSFSA-N 431.555 0.614 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015534 RYTWTWQKXVVFJB-LMHTWTQYSA-N 443.456 0.359 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051656 HZXDOUDNMZEGOB-JOCHJYFZSA-N 443.504 0.711 30 20 ICED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1783540709 NKDHPEXDTGVITN-DZKIICNBSA-N 443.508 0.398 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C[C@@H]2C[C@@H]21 1783558636 UFYZMDWHPHNBIV-WMUXEFRJSA-N 447.488 0.302 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784387315 NBVFMEOXKFAVPH-HXUWFJFHSA-N 426.502 0.841 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1784485233 JCZBZQPBIBOGTP-WNHJNPCNSA-N 425.489 0.290 30 20 ICED C=CCO[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 1784502924 KPZHZRBOXJDGJN-VTMBPIDISA-N 438.550 0.360 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)n1cnnn1 1784590024 XRWMRPJMQZBURP-YWZLYKJASA-N 428.880 0.769 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376766 VRTWJPITMSXGBW-IERDGZPVSA-N 449.529 0.448 30 20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785599914 JTJNXECZPJVOSP-PONJGIIJSA-N 449.504 0.598 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnc4)[C@H]3C2)c(C#N)c1 1786161627 MZYBROXCNXIXAC-YYWHXJBOSA-N 437.500 0.986 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)cnc2c1 1786695707 MIBUWDLIXNGZOJ-SZMVWBNQSA-N 435.484 0.900 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1786706151 LGGJZTKEVJUEAF-XIRDDKMYSA-N 440.460 0.576 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787474786 PRUZAFQHHXQHDG-JBDAPHQKSA-N 431.537 0.732 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cc3)[C@H]2C1 1787546842 CUUXXAASTJXBMY-IHPCNDPISA-N 441.484 0.205 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc(CO)on1 1789377533 DHXYEAJGVYQYBB-MMDUVUBMSA-N 436.465 0.289 30 20 ICED C[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 1791050106 LZNGQJLKWKKICG-GVARAGBVSA-N 426.395 0.946 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c1 1791984888 REKNYIMVIBLVKF-HVRBKMHZSA-N 441.532 0.500 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422925 FQZQPHXUWCJARP-HCBXPFHNSA-N 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COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800958670 XLJATDKPAAKSTQ-FSNPWBFUSA-N 426.473 0.845 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1800985600 LYNRJUBJUCAZLR-UVBQOVKKSA-N 433.574 0.795 30 20 ICED C=CCC(=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 1800996861 YWNXLFHXZWEFKG-KMOPNRPKSA-N 437.537 0.770 30 20 ICED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804195275 VQZRIQLRLGOSKJ-YLJYHZDGSA-N 433.534 0.122 30 20 ICED N#CCCC(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808405690 KSWZIYJAGQALDR-YLJYHZDGSA-N 433.534 0.817 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809679160 QWNWVJKPFJYYLG-OFNKIYASSA-N 425.533 0.665 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)N(C)C(C)=O)sc2C1 1817292615 LFEONBKRPPSGPT-WXRQEABKSA-N 433.534 0.780 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 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Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)c(=O)[nH]c1C 1831485058 MOUIKGRNBSMQJS-UZLBHIALSA-N 438.550 0.411 30 20 ICED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)c1F 1831485342 BKRUKQWIBFVRNR-VQIMIIECSA-N 428.530 0.892 30 20 ICED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)no1 1832791421 FYRWKDCVMWCLGI-OAQYLSRUSA-N 431.493 0.886 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1833467750 YJDUUKSQBUIZNH-VQTJNVASSA-N 447.624 0.232 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1834120392 AGWVOGAGBKDJRL-HSZRJFAPSA-N 444.532 0.497 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)n1 1834247499 DAEFVUCOQCTRBH-QFIPXVFZSA-N 441.463 0.744 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835342314 QGXGWUPDMHUNDO-NRFANRHFSA-N 428.445 0.242 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)c2n1 1835345731 XIXSBXXFNQNLCL-JOCHJYFZSA-N 439.472 0.945 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515262 DGGUWKINONKKSF-UHFFFAOYSA-N 440.548 0.615 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)n1 1835677392 HFAOKEAJPRRSLK-QFIPXVFZSA-N 445.520 0.448 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](CN)c4ccccc4)CCO3)C2)CCC1 1835824861 MCZCESSRLYRGFT-CVDCTZTESA-N 426.517 0.879 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835901450 LUUHQDHUDDROLY-NFBKMPQASA-N 428.533 0.945 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1837402394 AWXWGFRKVSQSNQ-VWKPWSFCSA-N 442.509 0.578 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccco1 1837441292 ZOAWLRHOITXVFL-XWRADEMYSA-N 432.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527066 XFGRKNYGDAHCHO-CPXNXAAISA-N 439.509 0.563 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837527671 SKYBTCVCSOCSNF-FZAQIRADSA-N 449.508 0.177 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560864 YAMZUPZPDNJQMO-GICSZMDTSA-N 448.505 0.362 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(Cl)nn4)C3)C2)c1 1838738266 ZCNBBLRGEVUSPD-LJQANCHMSA-N 430.852 0.714 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839215460 SESZKSSJYWPCTL-AVRDEDQJSA-N 426.473 0.249 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1839419516 FMBGNMBBDAUHDA-OAQYLSRUSA-N 441.419 0.577 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4nc3O)CCO2)C1 1839512447 CAXNTMATFIRUNV-JOCHJYFZSA-N 439.472 0.955 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cn5c(F)cccc5n4)CCO3)C2)CC1 1839554545 PRSDXQCXXQUMLA-OAQYLSRUSA-N 427.436 0.847 30 20 ICED COc1cccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c12 1839557930 BZUHHINIFNKEOO-JOCHJYFZSA-N 441.440 0.335 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(F)cc3)C2)C1 1839805189 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CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410200278 SMRYLUKPZROQRK-DLBZAZTESA-N 437.570 0.598 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427355467 UADDVDFXMPYOIC-UHFFFAOYSA-N 449.431 1.354 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncc(Br)c(OC)n2)CC1 430909173 ZCXUSPGWAHCKKU-NSHDSACASA-N 427.303 0.770 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)C[C@@H](C)O1 432495230 HGJTVANUFZLUGF-HZPDHXFCSA-N 435.550 0.736 30 20 ICED C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1)C(=O)OC 435946374 YGIFQFLZFHYVBE-NJAFHUGGSA-N 440.518 0.288 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)C1=O 440282208 ZSCDSHMJVQCQOV-OAHLLOKOSA-N 439.476 0.732 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2)CC1 461471176 AITKQEVPOLBBGR-SFHVURJKSA-N 447.561 0.505 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 465421196 KAEGKOQJFHUCDY-CQSZACIVSA-N 442.501 0.569 30 20 ICED CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 474064331 ZWFLTTBGOZGXAV-JXFKEZNVSA-N 429.521 0.267 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)nc3)C2=O)cc1 488595402 MKEHYJVMKNJNCK-IBGZPJMESA-N 448.483 0.646 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1 489026688 QHXJVFRMELDBNF-UKRRQHHQSA-N 442.493 0.496 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 508019709 XBQZPCBYQSCLIP-YCRPNKLZSA-N 442.476 0.912 30 20 ICED COCC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 510067644 BCGUEQRVKHOJDS-UHFFFAOYSA-N 442.476 0.245 30 20 ICED C[C@@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 512483791 NCLILSJMHHEYPK-INIZCTEOSA-N 436.534 0.772 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 520873110 IOLHFEJGHNYUMQ-IBGZPJMESA-N 447.499 0.351 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 535136338 BGSXRDLFBXYHTE-UHFFFAOYSA-N 432.452 0.235 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 558989922 DHKFAHNPPINDCT-HNNXBMFYSA-N 433.538 0.822 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](Cc3ccccc3)N(C)C)CC2)c1C#N 559412255 PTKDTTNVLZSBIH-LJQANCHMSA-N 437.548 0.538 30 20 ICED C=CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 573254919 CXAUDTFOVKDMGV-MAUKXSAKSA-N 446.529 0.738 30 20 ICED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 583405250 CQGGACGEWKVSLE-UHFFFAOYSA-N 447.517 0.767 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCN(C)CC1 585704721 DELQCCOOTGFJAN-JOCHJYFZSA-N 440.592 0.591 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 588363926 RHGHDFKWUCLHKG-UHFFFAOYSA-N 444.311 0.210 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 609432524 WFHFSKMRRSJBBN-IBGZPJMESA-N 440.481 0.902 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 609507692 FVBKNFOVHPNZGR-KRWDZBQOSA-N 448.549 0.755 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 609686345 BSJCNHCRUFXAJE-JOCHJYFZSA-N 426.565 0.792 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@](C)(C(=O)OC)C1 619835219 YUPRBKYLPUUXGT-ZRGWGRIASA-N 441.554 0.823 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O 623224078 FKDGBMQHJOCLSL-GFCCVEGCSA-N 433.852 0.889 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 731217108 UVHDTMUIXSPMCC-UHFFFAOYSA-N 445.295 0.413 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(OCC#N)cc1)CC2 743904360 RLBOZSNCEMBGPQ-UHFFFAOYSA-N 428.470 0.703 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)cc1 743983874 DTSPGMGABSOVON-JCMHNJIXSA-N 446.493 0.076 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2=O)cc1 753990381 LVSQILIHWWUCFG-QGZVFWFLSA-N 430.428 0.390 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 755534934 FXEFZZRYAMOLKA-SWLSCSKDSA-N 426.437 0.476 30 20 ICED C#CCOCCC(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 756305072 KFWHGWLOSNEJCK-MRXNPFEDSA-N 438.502 0.926 30 20 ICED CN(CCCNC(=O)CON=CC(=O)Nc1ccccc1Br)S(C)(=O)=O 762672903 ZVCYQQJNGKHCFD-UHFFFAOYSA-N 449.327 0.788 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC2(CC1)OCCO2 767628158 DDFQARBSKLSEPH-AWEZNQCLSA-N 437.474 0.134 30 20 ICED COC(=O)C1(O)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 770250722 JRRJNOQWPNCBCP-UHFFFAOYSA-N 437.518 0.812 30 20 ICED C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 774295965 MKJDXKWEYISWSH-VXIXXHMJSA-N 434.543 0.824 30 20 ICED CN(C)CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785074526 SSRLLLIOZOSYGT-OQKWZONESA-N 439.538 0.132 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 786416255 ULCOCHZLLQLNSK-DGCLKSJQSA-N 434.453 0.411 30 20 ICED CC(=NNC(=S)NCCCN1CCOCC1)c1cc(S(N)(=O)=O)c(C)cc1C 794470062 AQOJFEIWXYEYFC-UHFFFAOYSA-N 427.596 0.861 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 794542057 UYFCFLRXHVHKEV-MRXNPFEDSA-N 430.505 0.928 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)cn1 794610166 ZCRKHDLRSQBASC-OAHLLOKOSA-N 428.514 0.586 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 800078435 AWUUVUOBZLKJRB-AWEZNQCLSA-N 431.536 0.590 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)n1 805406332 SWPULRUUQBUKIE-SSEXGKCCSA-N 425.514 0.667 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101917 VSULADTWLOBAKA-ZIAGYGMSSA-N 441.472 0.762 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC 916198312 LKQTXCWWHBDZTG-UHFFFAOYSA-N 446.485 0.120 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 917159055 MSIJPDBPVQCIMD-UHFFFAOYSA-N 441.557 0.789 30 20 ICED C[C@@H](OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1)C(=O)N(C)CCC#N 920653903 XCFHVUMFXXUYHX-RISCZKNCSA-N 426.267 0.844 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(=O)nc1O 1136274171 RSENHDSITYPVAY-UHFFFAOYSA-N 429.864 0.778 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1288985930 HBKAIDLCTPXTMA-GJZGRUSLSA-N 435.554 0.641 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2CCOCC2)C1 1316354075 MTOJPDNLSDSOKY-QGZVFWFLSA-N 438.554 0.778 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1316356152 NTANSPXUIYGDSY-KRWDZBQOSA-N 432.506 0.314 30 20 ICED CCc1ccccc1NC(=O)CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1463709826 NSUVUEWTEKCRAA-UHFFFAOYSA-N 438.488 0.556 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1511315871 XRIJNRKCTNCCEZ-PXNSSMCTSA-N 431.518 0.456 30 20 ICED N#Cc1cn(CC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(=O)nc1O 1596253014 VECZBDUYGSUCPR-UHFFFAOYSA-N 427.730 0.852 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1617907739 IRFVVVWCHWRTJZ-FQEVSTJZSA-N 439.501 0.793 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1722484174 SPTFWJVMCSSOBO-ZYHUDNBSSA-N 434.360 0.907 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1730409264 ZKGWIHBFXOMSHQ-HRCADAONSA-N 427.465 0.706 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 1741988161 KKJOQWQECOZDAP-CVEARBPZSA-N 438.554 0.920 30 20 ICED CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1743406243 JCVKHHIFSFOCDR-KRWDZBQOSA-N 445.549 0.861 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777886949 NCJUHDUPJWRAGO-MWTRTKDXSA-N 440.500 0.968 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1778779632 PZIHNZHIQVGWTL-UGKGYDQZSA-N 444.488 0.385 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778834281 LDPKSWGZLFRQNU-YLNCNTMDSA-N 438.484 0.602 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779201341 WLQFCSLMBMWYMP-BONWFUQQSA-N 441.525 0.138 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780338945 GJAPNBRPGGMJCO-GOSISDBHSA-N 433.515 0.190 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1780692366 GOZZAIDSKFKNGT-HSZRJFAPSA-N 433.468 0.827 30 20 ICED C[C@@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1780726566 WNHLNUUKRCJFAA-JPEVHGAISA-N 438.488 0.697 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783051757 NAZGAPCUNNHNJM-SSKFGXFMSA-N 435.521 0.458 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783445307 APQLEYKZZUBXMS-UFYCRDLUSA-N 447.557 0.905 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sc(N)nc3C)C[C@@H]21 1783531462 ZJNOTHQDLNCCLK-VMPYYGSESA-N 433.534 0.485 30 20 ICED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378464 DVONALHBMQKLID-QFIPXVFZSA-N 428.489 0.539 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1785574688 OEDNGSAMHJQMHV-HOIFWPIMSA-N 432.521 0.261 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789090787 LOIWZIQAZHASPI-JYJNAYRXSA-N 431.493 0.152 30 20 ICED CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)C1 1789741866 DSFSMLDNBNGEQO-GOBHGKEPSA-N 436.553 0.837 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655108 LAZPXBOAFAWBRS-BQFCYCMXSA-N 430.461 0.540 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543628 HYHPLETYQLSZNH-IHXHSXLNSA-N 431.537 0.649 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558342 UOLVSFGRKWXBSM-XUMLPFHTSA-N 427.505 0.398 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnsn2)c(C#N)c1 1794385639 ZKWPWRNOHUKOIZ-CCWDJLKJSA-N 427.486 0.864 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402956 KBKOCYBJRUYTHQ-DQSPCUGLSA-N 436.425 0.050 30 20 ICED N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)c1ccccn1 1797812102 XVYXTBOKGCJXBN-GFDJJBKPSA-N 431.493 0.200 30 20 ICED 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 1800774203 RXHQCDBQJSBVFT-KRXQYRFLSA-N 435.477 0.133 30 20 ICED 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@H](C)S 1800980531 LNQOVDLBTDUYLL-YUDUXTHKSA-N 445.582 0.823 30 20 ICED Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1801338301 GRZKAYLXBWQOMQ-DAHXEQDNSA-N 433.509 0.871 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804093468 AGRRYJGVAHRYDI-OGWOLHLISA-N 444.492 0.440 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804353962 MGNBCKWVADXCBW-GGPKGHCWSA-N 446.467 0.871 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1811540199 AJVOPQAODCRDQF-QAPCUYQASA-N 438.444 0.144 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)[nH]n1 1822202526 URLMDHUJYACPSJ-YCPHGPKFSA-N 427.461 0.891 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CCNC(=O)c3ccccc3)sc2C1 1827966631 PTSPBUYOBLXHMU-AWEZNQCLSA-N 440.481 0.963 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)cc1 1829902317 MPQDENJRDFTYRP-OAQYLSRUSA-N 441.513 0.910 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830064759 PERHSNFYKCVAOM-YVHKJVDXSA-N 435.521 0.972 30 20 ICED CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830803653 NDDLQWJGRCVWFR-OAQYLSRUSA-N 438.477 0.043 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831409530 RVDIRPPOICAYDK-JOCHJYFZSA-N 443.504 0.782 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831499570 WNVDPGXVIRSVAT-XJKSGUPXSA-N 441.472 0.076 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1833075105 UKXLYGXYHUOHSH-TUYSUELWSA-N 447.580 0.283 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1833338951 DIPLVSNHHFGURF-JOCHJYFZSA-N 441.488 0.804 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489297 ZMVOQOZUMQSNKS-BEFAXECRSA-N 438.506 0.199 30 20 ICED O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)ncn1 1833969138 BJSFRGXKKKUUEF-UHFFFAOYSA-N 425.489 0.773 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nc1 1834374687 VZPXYVUPKSJQAT-QFIPXVFZSA-N 429.521 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1834714619 APXRLPPNLMGJAA-UHFFFAOYSA-N 448.612 0.172 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1834760788 QWPGMVXKHWKAMP-QGZVFWFLSA-N 441.257 0.967 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347964 LHRFKSPSHVDYGS-GSHUGGBRSA-N 431.489 0.502 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835450981 IDASBPLPDOCNMC-QGZVFWFLSA-N 434.537 0.439 30 20 ICED CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C 1835677334 FMACRQODUAHTQS-JOCHJYFZSA-N 446.552 0.563 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1835767514 CDTPDLASSGJHIN-OXXSMZSFSA-N 449.552 0.366 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835910527 VIUCXNAYLWTVBW-IEDAUISUSA-N 435.546 0.941 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccc3C=O)CCO2)C1 1835954866 CYRWYJLRRJSFOF-WCAVRKLYSA-N 447.532 0.891 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1836280099 RTHAWUYJFYLDNK-UKKLRFBMSA-N 432.525 0.514 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837375178 NRNPHLWCZUBALT-JTSKRJEESA-N 436.553 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1837398832 KLVKFVVXSKUJQO-PGRDOPGGSA-N 433.505 0.733 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837440923 GWMNSYODIQTRDS-YQNSVDCASA-N 445.520 0.389 30 20 ICED O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837446834 HUDLSZHMPPBNDW-RKCCVIKDSA-N 442.520 0.418 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837670924 WMJKMEVWRKXOPQ-WRWLIDTKSA-N 429.583 0.702 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1838276470 YBKZZHKTJLXPDT-JOCHJYFZSA-N 448.520 0.562 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838733054 MCMUWPWUBBAREC-NRFANRHFSA-N 431.493 0.263 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1838953148 QEJMJAWAWMDKHH-GHTZIAJQSA-N 447.513 0.205 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839173509 UXYQAEKKSFYAPX-GCJKJVERSA-N 437.537 0.437 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839217021 AIAMUBRWAMLVNL-PWHSHALESA-N 430.501 0.949 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2)C(F)(F)F 1839373655 RUGYWBRMEHOKCI-SFHVURJKSA-N 446.378 0.992 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839811885 USOJZNPVCIELMZ-QFIPXVFZSA-N 435.521 0.723 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839857299 OYWRUQHOHGQORW-OAQYLSRUSA-N 433.892 0.284 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1840039731 GDDSHXHDLONTAA-YCRPNKLZSA-N 434.876 0.988 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)C1 1840042770 OBTYEVZPSXXBKQ-OAQYLSRUSA-N 445.859 0.979 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840851077 JDOUTQGCCQCRSV-ZWOKBUDYSA-N 429.583 0.702 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1841746437 KRVWHMDWOPVWSJ-AWEZNQCLSA-N 429.539 0.704 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c(C(F)(F)F)n1 1843169177 WDTQOCZEXFWUBN-ZDUSSCGKSA-N 438.410 0.382 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1847800008 IWEMXBIXQIDQET-BZSNNMDCSA-N 449.548 0.989 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](S)C(C)C 1847827525 HSJFRIICJITJOX-LNLFQRSKSA-N 432.583 0.839 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 409508083 LKQIXBDOGHWPFP-INIZCTEOSA-N 427.914 0.365 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 437715342 FRHGBQHZPIJYSI-NVXWUHKLSA-N 430.505 0.931 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCOC2)c1=O 441965212 XAWHQRYIHXHSKW-CQSZACIVSA-N 425.510 0.737 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)n1 443569106 XKYQSTRLBWRZJS-UHFFFAOYSA-N 430.555 0.848 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 447397913 PIRQOYRULRXABI-STZQEDGTSA-N 448.539 0.880 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 460701738 WCHVQZWQYBBBKY-UHFFFAOYSA-N 436.476 0.792 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 468287688 RQUVGKOPKKDDEC-SFHVURJKSA-N 435.550 0.230 30 20 ICED N#Cc1c(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)sc2c1CCCCC2 471019587 BSWINQWXGPNQGN-UHFFFAOYSA-N 425.580 0.733 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1-c1ccc(C(N)=O)cc1 471188345 QHHCNXZGVOBMOE-UHFFFAOYSA-N 448.504 0.959 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 477366623 OEEFSQDTMCRPCC-PGRDOPGGSA-N 439.516 0.839 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCCSC 481977045 MRLRZWWULWXGHL-UHFFFAOYSA-N 448.595 0.862 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C)nc3O)c2)CC1 484006074 CJPJXVQDZRHDET-UHFFFAOYSA-N 426.477 0.271 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2=O)cc1 486490599 SQLBRWYCWYNLQZ-QGZVFWFLSA-N 446.489 0.066 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2=O)cc1 486625676 FDSXOYPUCMBUCJ-KRWDZBQOSA-N 434.499 0.285 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 489173102 TZXIWWLHTNNWHX-UHFFFAOYSA-N 432.571 0.251 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491588674 KJXWHIKTSIEKOX-AWEZNQCLSA-N 433.896 0.542 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504755361 IEFCQSYFVJEFDK-OAHLLOKOSA-N 436.490 0.158 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCN(C)CC1 505664080 QVAYZMMIVRNVIR-UHFFFAOYSA-N 442.589 0.638 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 508621968 NSDDJBOANNHMII-GOSISDBHSA-N 438.488 0.186 30 20 ICED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508724264 PMWGVCWWINGZTP-UHFFFAOYSA-N 435.488 0.842 30 20 ICED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513974573 PUXLBFDHVYEFRZ-DGGJZMOXSA-N 431.500 0.859 30 20 ICED N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nnc2n1CCCCC2 520164697 CVIRUDUCCSTKOH-MRXNPFEDSA-N 442.501 0.615 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)n1 545489050 FVECYOZDOZFBMS-INIZCTEOSA-N 446.467 0.446 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 550460912 ADJZYPGEWFJRJG-UHFFFAOYSA-N 437.338 0.554 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 552775595 FGDJUUNJTCZUEN-HOTGVXAUSA-N 436.509 0.675 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)C1=O 556193409 MFZOAGGTMNZORR-UYAOXDASSA-N 427.549 0.559 30 20 ICED Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 564351247 VAHUYDPXOPDBEH-SBHAEUEKSA-N 449.515 0.093 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 571331364 SZGVEOHUCRAOMM-ZIAGYGMSSA-N 431.526 0.451 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCOCC1 585701210 MUFGJTVIWJKVDH-UXHICEINSA-N 441.532 0.248 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C 604269976 ALJIDZPLZOCSCL-UHFFFAOYSA-N 446.504 0.175 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 669809460 ZEOWKZRETPEYLV-UHFFFAOYSA-N 446.581 0.634 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCCn3ncc(C#N)c3N)cc2)C[C@@H](C)O1 731772749 WPHROPGZYGNZKO-OKILXGFUSA-N 433.490 0.992 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)c(Br)s1 744687543 WCPLAOXEDOEHFL-ZCFIWIBFSA-N 440.297 0.715 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 753876257 YPXIIIGVKVROQH-GOSISDBHSA-N 438.469 0.944 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 755522023 XMOINWVULQSNDG-UHFFFAOYSA-N 425.482 0.954 30 20 ICED COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1S(N)(=O)=O 756106991 NVNBZRODEOPRQJ-JTQLQIEISA-N 430.508 0.989 30 20 ICED C[C@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 771889273 AGDALMYONADHRC-IJEWVQPXSA-N 425.555 0.639 30 20 ICED COc1ccc(Cn2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)cc1OC 778641976 ZHGKATUCBAYCDG-MRXNPFEDSA-N 446.485 0.528 30 20 ICED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784414585 KIZCRLDJPCYOHZ-BXDFRRGMSA-N 449.533 0.421 30 20 ICED COCCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 785031539 FEBIJMUPOUSEQR-FXBPSFAMSA-N 438.506 0.312 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 785516819 CLICZKOZHZXLNC-UHFFFAOYSA-N 427.910 0.572 30 20 ICED CN1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C[C@H]2C1 787599721 WEUGUMDFBLBDJX-KCWIRBQFSA-N 433.534 0.458 30 20 ICED CCOc1cc(NC2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)ncn1 787779616 YAAYXTFNTYQRLL-UHFFFAOYSA-N 438.492 0.773 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)c1 787972136 PTTLJMMCGNJENC-JZZHWFMQSA-N 444.460 0.666 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccc(F)cc1 790111738 JQSCBYZXDOSLOD-UHFFFAOYSA-N 437.500 0.830 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)c1 792378172 SKUCFQRECRNLJY-JEHRSMSHSA-N 436.412 0.477 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O 793733375 MNWKQRBOBGDJLR-PKOBYXMFSA-N 441.532 0.250 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 799283462 HDZSKUZRQCNKQZ-IBGZPJMESA-N 443.500 0.931 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)C[C@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 803007446 WJJDGUKAOJLZHV-OLZOCXBDSA-N 429.520 0.376 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccncc1 805808404 UISJDCIXKZMKMJ-SFHVURJKSA-N 438.550 0.714 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCC(C)CC4)O3)CC2)c1C#N 806705850 AZTWKSFCRFPCLI-YSJWXEPDSA-N 444.536 0.687 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812266852 DSBMQIUHKFMTKN-MSOLQXFVSA-N 432.550 0.945 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)[C@@H]2C1 815704974 VAKPHDGIAWLGHG-FVAKZZOYSA-N 433.534 0.600 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 894548749 SELVWSKEUKLLPJ-CYBMUJFWSA-N 425.463 0.265 30 20 ICED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916876238 UFGVPTDECOKOKM-KRWDZBQOSA-N 434.518 0.826 30 20 ICED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 918775591 QBFDRMGWIYOEJD-YOEHRIQHSA-N 437.474 0.518 30 20 ICED COC(=O)C1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 921172271 MNFMCBUNIUYHDQ-UHFFFAOYSA-N 437.474 0.447 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(C)CC2)C1 1117736778 ANFCBFWHDXUTMR-SFHVURJKSA-N 433.578 0.598 30 20 ICED C[C@@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1288705348 OGIFJEFZGOYTCX-IRXDYDNUSA-N 440.508 0.622 30 20 ICED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)c(CCO)c2=O)n1 1292703982 PFSYKPHWMZHQIT-KRWDZBQOSA-N 427.509 0.413 30 20 ICED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)OC 1301024023 VYEXOIUWEMRTGH-QLFBSQMISA-N 430.531 0.011 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CCC1 1303823160 KQXDRRNUXJWFNC-JGTBNHKDSA-N 428.584 0.929 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1516586682 SKODDRDUIHVTNU-UHFFFAOYSA-N 445.549 0.985 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1548315004 LLQAZAZCEICTFM-GOSISDBHSA-N 446.533 0.593 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC=CO2)C1 1555813098 KWIWSSVCCHDVFO-RVKKMQEKSA-N 440.501 0.746 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1558643223 PSGUDKWHLKNRPH-HIFRSBDPSA-N 442.563 0.421 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)c1 1561087560 VJMSERHRQLPKFB-UHFFFAOYSA-N 431.536 0.890 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1561816342 UYAFFFSHGVSUSY-UHFFFAOYSA-N 432.424 0.936 30 20 ICED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1615090152 MSVUGAMTAFDKGA-AWEZNQCLSA-N 433.538 0.875 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1640840025 QXQLHHCOUXPDRT-KSSFIOAISA-N 425.532 0.652 30 20 ICED N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c(=O)nc1O 1641968185 UZNBUUQGKLKINU-LLVKDONJSA-N 446.261 0.752 30 20 ICED CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1729083653 ZDUWXGSUEQOKND-QGZVFWFLSA-N 434.522 0.813 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1745881530 YDHFMMGXIJKKCT-UHFFFAOYSA-N 432.488 0.951 30 20 ICED CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOC1 1748496871 VTBBRWVAJNCSNX-FQEVSTJZSA-N 446.533 0.704 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)c(OC)c1 1748669974 OWYXFBKQYAKDNG-KKSFZXQISA-N 428.493 0.758 30 20 ICED CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1762413417 KEMSEEOCFRZIKF-GJZGRUSLSA-N 428.559 0.758 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952203 XMLVKEFEPSXHIV-GWJNGDFSSA-N 425.493 0.645 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1Cl 1779093739 ISOIOPAARAGRMS-CTNGQTDRSA-N 448.907 0.306 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779276572 CJTFYXOHJRPZKC-PMUMKWKESA-N 434.411 0.644 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779335644 OYPYDDOJCPXFSD-VTJXTGGHSA-N 434.493 0.588 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1779339083 AWEZNKIOJDYKTN-LGFFLQIISA-N 440.537 0.689 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)c1 1780333809 GJSXCVJKHOUBAZ-JKSBSHDWSA-N 425.489 0.731 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781199070 SQAQEXYBOYWZCS-OAQYLSRUSA-N 436.509 0.661 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C(=O)OC)CC2)C1 1781812206 ORMSWDUNBJARBX-IIBYNOLFSA-N 436.505 0.963 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1782058781 HLIXZOKGGSVSQS-NQIIRXRSSA-N 431.514 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783531237 JYGOMHNNSXUBMU-XNDWKHFASA-N 448.520 0.354 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1783771257 PJNMGMSHWARXAJ-VGOFRKELSA-N 436.553 0.847 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784502887 IFCIHQGXRHTJBQ-OHFALNGGSA-N 429.477 0.619 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C[C@@H]21 1786363887 GTCCOHHQKRZZGM-YEWWUXTCSA-N 446.891 0.959 30 20 ICED CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)C(C)C 1786859197 VSYZQFKZLCYZTR-CADBVGFASA-N 436.553 0.836 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1788637265 LSSSFXAJPCHTLC-XWSJACJDSA-N 431.533 0.191 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(O)nc1 1789298902 ZNUCOHMKDVFOOD-FLOZDOSTSA-N 432.477 0.910 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789852888 NFEUINYIURYBCW-VGWMRTNUSA-N 445.582 0.826 30 20 ICED CC[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 1791079371 MMPBIHCYCLQALJ-JONQDZQNSA-N 437.493 0.357 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794970734 QWKWNGPOLCMCCW-HGKCTWBKSA-N 427.505 0.598 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1797154117 FCABVLGBARFTQY-FQLMCAECSA-N 427.448 0.854 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1797783184 HRGMNUKCDXVWRR-UPHUGPLXSA-N 437.500 0.631 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1797816840 TZNYOEBRPDFVIT-SQKIAGDQSA-N 436.509 0.118 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cncn2)C3)c(C#N)c1 1799241446 YXLFQQGTTUWHLP-WMIGDMCZSA-N 438.488 0.552 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325744 SQPYCRANYNYHFQ-BQSVUJTJSA-N 430.480 0.696 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2nccn2)cc1C#N 1799413466 VTXYOYBTCHECQQ-RMFSNUHRSA-N 438.488 0.840 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641927 JXNUNFKMIVVIGG-DQEVTTJGSA-N 427.505 0.663 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1nc2ccc(F)cn2n1 1800133678 XFOQNOJLJAQYJQ-ZZUUGZJOSA-N 440.435 0.784 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)Cn1cc2c(n1)-c1ccccc1CC2 1800338459 PWYORKGSZWHTJH-AJDBGRLRSA-N 448.523 0.623 30 20 ICED CCOC(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800778047 VUCQOZKGCSUJLD-DBWKPXFBSA-N 432.404 0.294 30 20 ICED Cn1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)cn1 1801420774 QSPMSOSCJRJTIA-OPMZPASUSA-N 425.464 0.806 30 20 ICED 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)[nH]n1)C2 1802125713 OVYSDKSTGXZEKD-DFGXFYAUSA-N 445.520 0.838 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810333406 KTHFWDXLCKDPIW-XWUOBKMESA-N 440.544 0.509 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@H]1c1cccnc1 1812524366 LKGJBIDBOYGIJT-XEHJXZTKSA-N 434.496 0.900 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@H]1c1cccnc1 1812526022 OUGOXRJDCAUELH-MBSDFSHPSA-N 446.511 0.756 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)c1 1815063789 JEUANTPIDULMKA-ZIAGYGMSSA-N 426.502 0.833 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067003 QUOUPYFNLQDTEN-NWDGAFQWSA-N 437.522 0.157 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1819774437 OCZFWZOMPXCWKC-PCXKXAPESA-N 434.566 0.859 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)cc1 1822163309 PBFIWNLWRODFTQ-ZIAGYGMSSA-N 426.502 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829643831 RVYMUMJIHKYJID-WVYCKABHSA-N 441.475 0.737 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccnc4)C3)C2)C1 1829663730 OKTNJEKVVPUMBB-QFIPXVFZSA-N 428.489 0.234 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnc3C)C2)C1 1829764859 YFEPJUNINADSIG-BBIZLLLXSA-N 434.518 0.380 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)ccn1 1830056700 NYEWZZYUXQESGH-OAQYLSRUSA-N 429.477 0.660 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831223700 YDQAGKPJYYQFIS-HSZRJFAPSA-N 447.532 0.725 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1831402243 RHEZXQAPGPLRMA-MBSDFSHPSA-N 440.500 0.531 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831492670 MSJIQUJQEWMQLE-DOXZCSRISA-N 426.583 0.869 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)CCO2 1832544996 XPJYJADUVMWJLU-JOCHJYFZSA-N 433.505 0.643 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCc3cnn(C)c3)CC2)CC1 1833464836 WRZRNUYIVVKOOO-GOSISDBHSA-N 429.565 0.963 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530533 HPFUVGKZKUDWTP-FQEVSTJZSA-N 434.518 0.307 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833895905 LNOUBEIRRJONOF-BEFAXECRSA-N 426.539 0.765 30 20 ICED Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834367283 QUPGWLOCRJUSLW-VDYVLHGJSA-N 436.465 0.582 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835729874 OCZFUSIKVWDXES-FSTGKYBXSA-N 434.541 0.138 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)CCO2 1836599575 PIMNWCRKGSVASV-SVMVAKDDSA-N 446.887 0.988 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cccc(Cl)c13)CCO2 1837183731 VXOCQSWUWPZHBM-NRFANRHFSA-N 445.859 0.979 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327395 PHQZKLNSXYTMHF-PDPGTCGWSA-N 431.514 0.797 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837431296 GKQCSWXTLVLFMX-OAQYLSRUSA-N 447.612 0.786 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441106 RRTCHUSTDRWOEB-MWQAXTTASA-N 446.552 0.447 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447516 QAYZDPMDOPENKV-PBPYGMEZSA-N 446.552 0.447 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565614 XDWQHHBMZMITQC-FFCJBUTOSA-N 429.477 0.360 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565619 XDWQHHBMZMITQC-IQTGRTGDSA-N 429.477 0.360 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1837664040 BNERVQOAWVUKEH-KKSFZXQISA-N 441.525 0.500 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838738101 PYMJWVZOWUNXMY-OAQYLSRUSA-N 425.445 0.674 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838905449 GPJFIYNCDGILQK-OAQYLSRUSA-N 425.445 0.562 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1838905993 KQNQVVKEBXPFRT-HXUWFJFHSA-N 431.518 0.645 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1839176444 PEJJIHMXBHYYMV-JXFKEZNVSA-N 444.550 0.066 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c(Cl)c1 1839196204 HDLZEXYAMNDLSN-FQEVSTJZSA-N 437.880 0.291 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839240836 XNSQUBQWGQZSQT-IGPUNGKJSA-N 446.552 0.497 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 1840042643 GLIMECZUMPGRNU-JBYIUTFZSA-N 446.887 0.988 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)no1 1840368589 XMDOZLPCYVOGBB-HSZRJFAPSA-N 445.516 0.681 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)CCC1 1840815421 PNZFSXRYGQOCLE-JOCHJYFZSA-N 426.473 0.549 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)COC1 1840818282 UQMOBUCMIJXWHI-QFIPXVFZSA-N 429.473 0.430 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 440322633 FKNDZLUYSPLMDI-ZDUSSCGKSA-N 430.490 0.810 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCCNC(=O)c2ccc(Br)cc2)n1 444513298 ZCUPCPWHALDVHO-UHFFFAOYSA-N 447.293 1.434 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 460589714 BFGITUOLQNUSJE-HXUWFJFHSA-N 445.483 0.613 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)ccc21 471000432 GHMBAKQZQTWPIG-INIZCTEOSA-N 447.517 0.488 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 473874416 HEFPECXLMGBASN-GCGJSEPQSA-N 432.480 0.973 30 20 ICED N#CCCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2c(c1)OCCO2 486215856 MUBLBQASSTXXRX-KRWDZBQOSA-N 428.489 0.885 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCCC(=O)OC)c1=O 488978121 KCPFIJIEJOGYHR-AWEZNQCLSA-N 444.513 0.188 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 507735359 ZTSRNXNNEWINLE-DYESRHJHSA-N 433.428 0.741 30 20 ICED COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1OC 508346381 FXQZAVBHFPRMEC-UHFFFAOYSA-N 438.448 0.475 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 509563107 CMCQICJKCZBWJE-UHFFFAOYSA-N 433.472 0.682 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 522385414 YPGROMPVWORXEB-UHFFFAOYSA-N 425.518 0.124 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 524275249 TVIITJLCJUABKV-UHFFFAOYSA-N 437.481 0.693 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 531802541 ZYKIZNYZIZDSST-OAHLLOKOSA-N 431.460 0.664 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 532987197 YKUMFVXCTOKWSA-UHFFFAOYSA-N 449.577 0.957 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 533002855 NWHVSEPHWZHXTR-CQSZACIVSA-N 427.440 0.364 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCO2)n1 533304825 WOYBMDLRBRMOCI-KRWDZBQOSA-N 428.497 0.113 30 20 ICED CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543008987 QSODWTQZGQTRAS-OAHLLOKOSA-N 427.484 0.964 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc3c2OCO3)c1=O 548617575 GKIGROALSVJYID-HNNXBMFYSA-N 442.493 0.784 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2=O)cc1 555809832 WRKCFOHRLRLSBK-SFHVURJKSA-N 449.515 0.452 30 20 ICED N#Cc1ccc(CS(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 558085667 XHMFULIAXBDDJM-UHFFFAOYSA-N 440.469 0.839 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCO1 561678785 ZQXOYRUNTMCSSD-FPOVZHCZSA-N 427.549 0.840 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 562145991 ZYDPTHXGEPZCBG-KRWDZBQOSA-N 425.420 0.355 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)C3)C2=O)cc1 568688553 RCFWUFWOXGWSHN-SFHVURJKSA-N 426.473 0.578 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O 608911723 OKNZXIMLMXLPII-UHFFFAOYSA-N 430.555 0.536 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@@](F)(C#N)C2)c(O)nc1=O 615663507 FAJIBJALILGKOK-LJQANCHMSA-N 438.460 0.165 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 619825780 FDCRVJSKGAVSNI-UHFFFAOYSA-N 449.512 0.777 30 20 ICED C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742633124 BMLCIRXJHAFCAO-INIZCTEOSA-N 447.561 0.270 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1=O 743402538 LFLFAJQSYKQISL-FQEVSTJZSA-N 425.533 0.955 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1OC 746561805 LTDKQBZOYADOKB-UHFFFAOYSA-N 447.469 0.713 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747044488 HXNVAGAVXMBRGY-UHFFFAOYSA-N 434.268 0.574 30 20 ICED C#CCN1CCC(C(=O)NC[C@@H](NC(=O)C2CCN(CC#C)CC2)c2cnn(C)c2)CC1 752147985 DDFVIAJTYSAQTB-JOCHJYFZSA-N 438.576 0.384 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 755937194 LMYXYEFWUHMOKQ-HXOBKFHXSA-N 438.532 0.911 30 20 ICED COC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757291781 LLQAIDBGHIISIX-CQSZACIVSA-N 437.460 0.880 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cnc21 761329401 IWAKABZBZBPYDC-INIZCTEOSA-N 427.442 0.668 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1)c1cc[nH]n1 772174080 HVSQRVQBDLEAJO-UHFFFAOYSA-N 425.405 0.617 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 777174619 VFNOGDSJNORQPM-JCMHNJIXSA-N 436.490 0.507 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 783481921 ZFVSEQNPSVHYEU-ZDUSSCGKSA-N 429.433 0.470 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 786993799 BCWBWZGNHKCYNQ-IBGZPJMESA-N 428.489 0.431 30 20 ICED CCc1nc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cs1 787758519 ZNLYTHIKHFHFNI-UHFFFAOYSA-N 427.534 0.845 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 792785512 SCBNFILKFQHGIK-QGZVFWFLSA-N 435.506 0.268 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 811092680 KQYBDONTSLFICB-CSMYWGQOSA-N 435.462 0.146 30 20 ICED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)N(CCC#N)c1ccccc1 844203685 WUUBAUGNWYJGIM-AWEZNQCLSA-N 429.458 0.835 30 20 ICED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408853 ZUYIPKZZJOIJJK-ZBFHGGJFSA-N 440.547 0.020 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1301806190 YZLNLHYKBYXUBC-UHFFFAOYSA-N 428.541 0.814 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)N(C)C)CC2)c1C#N 1492727921 MGZGWFWKZJTGOB-QGZVFWFLSA-N 441.540 0.848 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC(=O)N1C 1494236690 SIGIJICSECSZEO-AWEZNQCLSA-N 433.476 0.637 30 20 ICED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1511315876 XRIJNRKCTNCCEZ-YLJYHZDGSA-N 431.518 0.456 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCC#N)CC3)c2)CC1 1557981069 MXJSEJADZGYEGD-UHFFFAOYSA-N 433.534 0.211 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1618841932 BOWUWICAOGAIAV-UHFFFAOYSA-N 439.492 0.753 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1698493035 MUVBTGKSRRFARI-AWEZNQCLSA-N 440.439 0.878 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)C1 1724011849 SFOPBLXEJUSFCR-YOEHRIQHSA-N 441.579 0.887 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1741133577 SAKFIMWRZAEXEL-HZPDHXFCSA-N 440.570 0.902 30 20 ICED CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741645891 UKZWBGOXTCBQAM-INIZCTEOSA-N 437.570 0.828 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746462106 VETBBVIGAFEDOL-MJGOQNOKSA-N 427.557 0.681 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1747607771 OASPAYMXIGBECV-AWEZNQCLSA-N 438.485 0.616 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1750390576 SAZHRPOIWMWEPZ-JKSUJKDBSA-N 441.579 0.745 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114041 HODSLUBXQJZAMB-LJQANCHMSA-N 426.539 0.038 30 20 ICED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778349895 GVSJLSLKCXUIGR-PONJGIIJSA-N 449.504 0.407 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779137419 YJDVBPIGTSAKRQ-IQTGRTGDSA-N 438.444 0.591 30 20 ICED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781795328 AQZTYXHPUWHFFI-RSBZRLIOSA-N 438.525 0.556 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195328 YICPRBWXQJTGGB-VGOFRKELSA-N 438.488 0.793 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782569244 HGUHGHQXYYHHRO-OAQYLSRUSA-N 445.451 0.821 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(C(F)(F)F)cn1)CCO2 1783557247 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C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1788576118 XTSHGCJTWNGVPZ-VGWMRTNUSA-N 426.583 0.023 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1789223813 ATJMKNDLOPDJRU-CUWPLCDZSA-N 441.528 0.677 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)c(O)n1 1789967445 CIOSQDGRPUGHOX-SNRMKQJTSA-N 440.504 0.791 30 20 ICED Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078099 JQAFGOAETDGZAA-ULQDDVLXSA-N 427.457 0.310 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1N(C)C)C2 1792484199 IEOMFNJDXQLABY-PFIYSYJPSA-N 427.505 0.209 30 20 ICED C#CCO[C@@H](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 1793345919 UVSLKNBAFCDUJK-MDMSPXHWSA-N 437.537 0.870 30 20 ICED C=CCO[C@@H](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 1793354961 VHMQRYMASYCNGE-AFIMGQEJSA-N 434.493 0.957 30 20 ICED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)o1 1797741961 ICIGGJUWWVRCLN-COHUGYILSA-N 431.493 0.913 30 20 ICED Cn1ccc(=O)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1798529656 XUOAWSVVRKTLFW-FAQVEIGNSA-N 438.459 0.842 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)c1 1798576915 MYUMJBIBYCFDPI-OPMZPASUSA-N 436.468 0.632 30 20 ICED 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 1799236311 JDOXZTCUULNVRI-ALXJQNPVSA-N 430.505 0.750 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1ccccc1 1800620269 WXBOVZHASLWJLU-MICTXERYSA-N 427.501 0.902 30 20 ICED COc1cc2c(O)cccc2cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779784 VQMNYOVCERJTLS-YEZVWNJWSA-N 438.436 0.845 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1ccc(O)cc1 1801058171 MTDGFPVFBHWWPP-CROMWVBPSA-N 430.501 0.488 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)c1ccc(O)cc1 1801058231 QBTIBNAGHIWYSQ-CROMWVBPSA-N 437.500 0.771 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@@H](O)C1 1801987688 DBVZSBPXNLPLAB-QEOTZNIISA-N 449.504 0.331 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2cccnc2CS(C)(=O)=O)[C@@H]1c1cccnc1 1805022784 GREVRRYWJIOIQI-UZLBHIALSA-N 426.498 0.974 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806618017 ZIJVWRDVWNSAOL-QTEQDKRBSA-N 433.512 0.732 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806770138 WMJADHUDWOHTPN-VQIMIIECSA-N 437.518 0.641 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807190992 PEFJYGQMFWNYIM-LQWHRVPQSA-N 431.537 0.663 30 20 ICED Cc1cc(NC(=O)CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1808391112 OJJVDOWPLCSPEV-VFNWGFHPSA-N 439.428 0.501 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225990 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Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833039579 OFNOGMVXXGCVHV-JBMWNJKUSA-N 443.504 0.668 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=O)NCC(C)C)CC2)CC1 1833074804 BWILPTSGZFJMOF-WAYWQWQTSA-N 447.580 0.189 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1833737637 GRLVIAMTRSFZFF-HXUWFJFHSA-N 430.440 0.695 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1834246225 BXVOIIPFSIURGK-UAOQYHQXSA-N 435.481 0.019 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)Cn5ccnc5)CCO4)C3)c2c1 1834388730 VNTUENYIWFSJBD-JOCHJYFZSA-N 449.471 0.401 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccn4n3)CC2)CC1 1834968443 QLPSSKPUZCRTLU-QGZVFWFLSA-N 438.532 0.953 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835291618 XECBZZQTRSOAMR-JLMWRMLUSA-N 433.505 0.977 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C4\C(=O)Nc5ccccc54)C3)C2)CC1 1835344790 UXRUWPURBLPRHC-LYQKSFCXSA-N 436.468 0.782 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)CC1 1835346176 TZWFTDDGIMAURM-HXUWFJFHSA-N 430.417 0.674 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672728 JLQPULUUIOGACF-QFIPXVFZSA-N 445.520 0.442 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1835756485 GCMJNDQMKKPMJN-FQEVSTJZSA-N 435.521 0.466 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CC)NC)CCO3)c(O)n1 1835905841 WZPHQIHPJIGYDO-CVDCTZTESA-N 446.548 0.974 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836880893 PXKUWEZJLGLUSF-WMZOPIPTSA-N 428.599 0.532 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837398505 CKBPFBFDIZJPDD-WZONZLPQSA-N 442.516 0.977 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837442214 SYXSSJLGRHRYNE-IOCYEQIYSA-N 438.528 0.966 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837526983 HONFNXJZGPXWIP-MUCYYROYSA-N 437.415 0.924 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837625709 HXKAKLJFGLRATC-QFIPXVFZSA-N 446.504 0.459 30 20 ICED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)cc1 1837882099 ISBQGJYBTIBJSS-HXUWFJFHSA-N 441.532 0.763 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1 1838950886 LTIPYPHLJSABAZ-FQEVSTJZSA-N 440.416 0.573 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(Br)CC3)CCO2)C1 1839207127 KMISVAFLKCHMCE-KDOFPFPSSA-N 445.354 0.943 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839224905 RPLDXIHIFJTTMX-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839387930 AFXSEKNBERDIQQ-MRUHUIDDSA-N 441.525 0.498 30 20 ICED COc1cc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840043829 WLGIYPZZKCTDKY-HXUWFJFHSA-N 438.383 0.131 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840044398 VVRPSWGNBALVLP-QFIPXVFZSA-N 430.457 0.091 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(C#N)c1 1840162853 JOTKXJPYQXLHGP-YCRPNKLZSA-N 433.530 0.884 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840190041 AKOMAAJBNWCUFO-NRFANRHFSA-N 447.513 0.375 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487763 IXGDTOBXXOHQHB-TWKPZUECSA-N 444.488 0.456 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1840713560 FSRLRUVYVSMRHA-VGOFRKELSA-N 438.488 0.675 30 20 ICED CN(C)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813398 WQSLALQVWFKGQJ-QFIPXVFZSA-N 427.505 0.911 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843353947 UMMUGYPGAKLGMO-CQSZACIVSA-N 445.476 0.621 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1847068812 INZCOWCCGVKXBT-HUUCEWRRSA-N 436.509 0.169 30 20 ICED C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847890132 WFJHCVBWVNZJMG-YRBFXIGRSA-N 435.477 0.301 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CCO1 410388853 SOVKUTZFOGGNKY-UONOGXRCSA-N 434.396 0.527 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 430377628 JAZSZBFFXFUJFD-DENIHFKCSA-N 440.544 0.817 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cn3)CC2)c1C#N 432815456 GSUHQJXARUUFKX-UHFFFAOYSA-N 432.510 0.600 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Cl 436217795 JJJBUBQIIWSQLI-UHFFFAOYSA-N 431.880 0.833 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443298603 UVYWBDKEENPDPX-LBPRGKRZSA-N 441.366 0.249 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 443358565 QITOAMMEVKRVCD-UHFFFAOYSA-N 438.409 0.963 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 446521356 GOTZFGAHIQUXLJ-LJQANCHMSA-N 443.504 0.817 30 20 ICED COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471679867 QFMCERCUQUDHMO-LJQANCHMSA-N 428.537 0.385 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477291742 RETPWJOKGFKHNA-AWEZNQCLSA-N 446.460 0.775 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488256794 PVDAALJMWLQWIE-FQEVSTJZSA-N 440.548 0.855 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)CC1 491211243 CKYLSVGWIKXQPM-QGZVFWFLSA-N 443.548 0.908 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 497867711 JEXVZMKKYMQURF-UHFFFAOYSA-N 429.296 0.799 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)CC1 505015762 YCZIEAWGLLFIAK-UHFFFAOYSA-N 441.492 0.188 30 20 ICED N#C[C@H]1CN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@@]12C(=O)Nc1ccccc12 513721499 XJJYCORIFNSZKB-VBKZILBWSA-N 425.470 0.889 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2OC)c1=O 514524430 TUDJVUNMURUXJR-UHFFFAOYSA-N 431.514 0.603 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 515653000 AJCPWPZDEVCUIX-UHFFFAOYSA-N 441.509 0.453 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)n(C)c2n(C)c1=O 516593153 LHQNPVCLIIBCDQ-UHFFFAOYSA-N 434.500 0.795 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 546968705 OQQZKTRTXSHXGO-UHFFFAOYSA-N 425.463 0.393 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551073198 FTNWQCMYQHDUBC-FQEVSTJZSA-N 447.495 0.550 30 20 ICED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 565493237 OCCUHMXCHKTKAJ-INIZCTEOSA-N 425.497 0.945 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)n1 567654436 GSWQGTBIUXHXDX-KRWDZBQOSA-N 444.455 0.780 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)n2)c1=O 572455511 ZQRGZOGDMUEPJY-AWEZNQCLSA-N 446.529 0.004 30 20 ICED N#Cc1ccc(S(=O)(=O)CCn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)nc1 589057984 YDGAXJJVMVXEEA-UHFFFAOYSA-N 437.441 0.252 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1OC 590997460 URFZGSRTLAACEW-UHFFFAOYSA-N 441.509 0.624 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c(OC)c1 591690632 KRQRZIOUZXECOS-HNNXBMFYSA-N 438.502 0.663 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 604042845 HCMNYACUISLXRR-CQSZACIVSA-N 434.561 0.491 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 608889624 KWIGHYKYMWRSJT-UHFFFAOYSA-N 436.497 0.702 30 20 ICED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 682276343 KCOFWPYSNOEUDM-HSZRJFAPSA-N 447.539 0.943 30 20 ICED C[C@@H](OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 728719199 QPUBIHITLXEUCY-XPKDYRNWSA-N 443.909 0.768 30 20 ICED COc1cc(N2C[C@H](C(=O)OCCn3ncc(C#N)c3N)CC2=O)cc(OC)c1OC 731772921 COTLTVQOEJFILD-GFCCVEGCSA-N 429.433 0.959 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 745506814 HLIOHINQOZCVLN-UHFFFAOYSA-N 431.492 0.062 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)CC1 749666344 ITJWAECWEIRFLL-UHFFFAOYSA-N 441.488 0.115 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)[C@H](C#N)C1 755537359 MXKVMNBHSUFLIO-TZMCWYRMSA-N 426.437 0.476 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2coc(S(N)(=O)=O)c2)cc1 758002799 IKJUOSQLTWSASD-RGEXLXHISA-N 426.476 0.992 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 758050713 HKLZPYXJKIZIJK-UHFFFAOYSA-N 443.550 0.366 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758051223 YCCOHZYSPXPRFQ-UHFFFAOYSA-N 434.433 0.864 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 763425123 FOLWYCDCMUXBJA-ROUUACIJSA-N 434.456 0.987 30 20 ICED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 773942205 BCVPNNXCJQLHGT-GJZGRUSLSA-N 435.502 0.679 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@@H]1CCCO1 775789348 CXUYRMWHEPRMKD-PMACEKPBSA-N 433.530 0.493 30 20 ICED C=CCNC(=O)CNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 778645529 BMZRBPOXCUZJAP-UHFFFAOYSA-N 438.243 0.658 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C)[C@@H]1CCS(=O)(=O)C1 783479893 GXGRJGZFZOVWHC-OAHLLOKOSA-N 430.486 0.683 30 20 ICED C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785206651 RLRUOLSBBAVMNU-MKQRXOJPSA-N 442.563 0.663 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 785980276 LPDLMBDCLBMSQG-UHFFFAOYSA-N 446.471 0.969 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC1 787107266 QYSBUQCWUKNGAX-LJQANCHMSA-N 426.521 0.361 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)cn1C 791977402 LNKRYOIIVVVDGU-INIZCTEOSA-N 432.506 0.876 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)C(=O)NCCCCC#N)C2)C(=O)C1 804719315 AXBVUTDBJSEKGJ-MRXNPFEDSA-N 435.525 0.867 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 807381517 XRAMJQLSCWZUQK-UHFFFAOYSA-N 425.438 0.605 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812279407 QIOKDZJDLLGAED-UHFFFAOYSA-N 449.483 0.260 30 20 ICED CC(C)(C)OC(=O)N1CC(OCC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 816130835 BETIXXMQTNPTKK-UHFFFAOYSA-N 440.434 0.907 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CC2)OCCO3)CC1 912950417 HATUXELSVBOHNM-UHFFFAOYSA-N 434.518 0.230 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)OCC(F)(F)F)CC2)o1 919627553 FKDUNFYHKNTESU-UHFFFAOYSA-N 447.370 0.725 30 20 ICED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCC(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C 1263375322 MIAOBEBOHMPGCF-KRWDZBQOSA-N 439.472 0.771 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1288275092 MMAIUNAQUWHYOQ-KBPBESRZSA-N 432.572 0.246 30 20 ICED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1288402082 QBAHRLZURSUTAH-PBHICJAKSA-N 430.506 0.478 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(c4ccccc4)CNC(=O)C3)CC2)cc1 1290636239 JRNKNNQEJRVIAB-JOCHJYFZSA-N 438.509 0.849 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1299296525 MCYQXJLLSUTZFZ-NSHDSACASA-N 444.315 0.314 30 20 ICED N#CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1464801802 JAGMMQCFWQLRDH-UHFFFAOYSA-N 429.520 0.306 30 20 ICED CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1517189257 YWZWSKGLUMPSNJ-LJQANCHMSA-N 428.474 0.991 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1518916290 LYYMIKSONWRDPM-CRAIPNDOSA-N 448.549 0.948 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCN2C1=O 1554355383 RXVRAKPQXANUMI-HNNXBMFYSA-N 444.446 0.754 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1697697340 XIGDIELHOQQBHO-WBOJAVRRSA-N 430.506 0.382 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1698059263 VPQIIMNKTCVCAK-MRXNPFEDSA-N 438.554 0.848 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1709137362 RWAZJMCSUXXAPP-OAHLLOKOSA-N 432.554 0.515 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1727231680 NZHJKHORFHOUSM-ROUUACIJSA-N 433.557 0.772 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCS(C)(=O)=O)CC2)c1C#N 1742669299 LNPLGCHIZZBPQX-UHFFFAOYSA-N 446.581 0.906 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1767215205 KFGHBQGZFVNKRQ-LJQANCHMSA-N 441.536 0.736 30 20 ICED Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1767485300 YVISKFLEUNDMCU-UHFFFAOYSA-N 440.533 0.875 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1770345524 IPSNXLLQHAWKJG-LJQANCHMSA-N 432.506 0.050 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014655 HBKPPVXBEOLPLC-YBCYLVPRSA-N 426.539 0.194 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779339113 COJOXWYPAVIZSV-BZLDKRAPSA-N 442.578 0.651 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175510 NXTPTBXCBFDLGO-IVZQSRNASA-N 426.473 0.701 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CC(F)(F)C(=O)O)CCO4)C3)c2c1 1782196271 YCFODIRKDGLNTL-IBGZPJMESA-N 447.398 0.988 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782720142 LAYKWXYFNSQZOM-MAETVRKBSA-N 439.534 0.647 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797669 WQJUQUFTMWTFOZ-HTAPYJJXSA-N 445.520 0.699 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564688 CGZVVZSCSVMPRA-IVZQSRNASA-N 447.488 0.161 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1784199764 VOMNULIGOAIFCY-JTSKRJEESA-N 437.537 0.896 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784558535 KKVMHIIMGMRKSQ-HSZRJFAPSA-N 426.517 0.938 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1785646686 DFYDBVAITZKOIQ-BZSNNMDCSA-N 442.516 0.777 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccccc3)[C@H]2C1 1786337978 AOYDJVFFUAYRCT-MMLFBZMQSA-N 425.485 0.707 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)ccn1 1788905516 VCXINGKBCQSUCV-BZSNNMDCSA-N 429.521 0.965 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789180981 MEOKOADCZVHHRC-XIRDDKMYSA-N 445.472 0.913 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C[C@@H]21 1791072335 DJKVFKKZVVAAFH-DKKFBQAASA-N 425.441 0.247 30 20 ICED 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 1791258283 JHVIFQPJHTUIEZ-FQKPHLNHSA-N 431.555 0.170 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1793310360 VYLVNWUUIPSUQS-WCXIOVBPSA-N 429.583 0.896 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C 1793825020 SQQOILYMSUWNRN-QAGBHRCTSA-N 425.529 0.671 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795186197 SPLNZAIZFUSFGZ-ZMMAXQRCSA-N 438.569 0.997 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BORQZIIZQKSSMP-UHFFFAOYSA-N 426.477 0.646 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)n2)c(F)c1 474843517 SYVHBBNUHJZUAM-UHFFFAOYSA-N 445.440 0.540 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482565202 XMTPNNRHUWXMMF-ZDUSSCGKSA-N 426.523 0.976 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)nc1 488974487 GVPSLSOPYNRLQY-DLBZAZTESA-N 437.522 0.604 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 488990587 WJCRSQDRCSQKAO-INIZCTEOSA-N 449.488 0.990 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 503626187 GGSWQJHCZFVCMZ-UHFFFAOYSA-N 435.431 0.865 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C)c1=O 505657021 FSGGYPINXUJAKB-UHFFFAOYSA-N 437.481 0.402 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 509249164 QFCVUPNJHKJPQV-DOTOQJQBSA-N 426.514 0.912 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514752275 PEQAQPUVBFQDJY-QFBILLFUSA-N 441.532 0.079 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 518730782 YEHZSXYUYTUTJJ-UHFFFAOYSA-N 429.296 0.799 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 530893868 CUGQCEVFXODOQY-CYBMUJFWSA-N 446.554 0.534 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOC[C@H]2OCC)cc1 546096996 LOHGTYRWZYTNII-DLBZAZTESA-N 425.507 0.742 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 550563156 LPSANLOAMWUDHW-UHFFFAOYSA-N 428.411 0.648 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 554694545 LXIIWWOMHVZSQX-MSOLQXFVSA-N 426.473 0.577 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 555575424 WYLMLGUIIOWSKC-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccco2)c2ccccc2OC)CC1 570719280 MGWWIKKDMKHAMH-NRFANRHFSA-N 440.500 0.940 30 20 ICED CCc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)ncn1 573948090 VAHZSMOSHDCHMK-UHFFFAOYSA-N 448.531 0.739 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3sccc3C#N)CC2)C[C@H](C)O1 603560220 XCICOAWWDJLSFO-GJZGRUSLSA-N 441.579 0.920 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1C 608968343 SDWLUYRFOWIZBG-UHFFFAOYSA-N 431.522 0.449 30 20 ICED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 609283109 ZGMCVNNHDCKFJM-CQSZACIVSA-N 436.490 0.559 30 20 ICED COCCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 610557195 AWJHQBRGZPHNGI-OAHLLOKOSA-N 444.535 0.546 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)C1=O 624855925 ZKLRRYLQYYBGTN-UHFFFAOYSA-N 438.429 0.701 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1=O 726043905 VNUIEZOCORRPHL-UHFFFAOYSA-N 443.391 0.778 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCOC 728039975 WBGIENMLMOQMTD-UHFFFAOYSA-N 441.431 0.239 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144255 IVNNFVJGOQHCQZ-GDBMZVCRSA-N 434.566 0.794 30 20 ICED CN1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 735886633 KWMMWWMYECXACQ-CVIUTVQRSA-N 435.550 0.896 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)C1=O 744918882 OEQVXELGNGUJRL-UHFFFAOYSA-N 439.428 0.120 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 747984123 OXCQYACWVWSYQL-UHFFFAOYSA-N 437.478 0.044 30 20 ICED COc1ccc(NC(=O)COC(=O)c2cc(C#N)c[nH]2)cc1S(=O)(=O)N1CCOCC1 748231775 WYRGQLVGUMEDTO-UHFFFAOYSA-N 448.457 0.711 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 749326197 KFAPFUVHYHFQEG-TXKKKEFDSA-N 425.511 0.783 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)cc1 752883959 SAMJHJRJYWJREV-UHFFFAOYSA-N 442.497 0.788 30 20 ICED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccccc1F 753232826 YUBCDILCTBOAMA-SFHVURJKSA-N 430.461 0.954 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755489442 OUNVTRYUEYNELM-LBTBCDHLSA-N 427.482 0.135 30 20 ICED COCC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 758801019 UCIDIJUAOASGOC-UHFFFAOYSA-N 445.432 0.103 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 760120584 YQIRQFDOQQBENP-UHFFFAOYSA-N 429.454 0.901 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)c1C#N 760305893 HCTSBJLTNQXFQG-NRFANRHFSA-N 439.476 0.848 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 761031357 QLPDPNQCBPYSJK-UHFFFAOYSA-N 432.468 0.663 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)c2nccs2)CC1 761033176 TXWCGSOXWJRNRJ-GOSISDBHSA-N 433.559 0.434 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cn1 772301276 CZXKSSNLVQLCHS-UHFFFAOYSA-N 426.546 0.501 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1cc[nH]n1 772560854 MBKPUTNRSWATNS-UHFFFAOYSA-N 429.481 0.956 30 20 ICED COCCOc1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccn1 777180037 YEUMNHFYPRJASL-UHFFFAOYSA-N 429.433 0.781 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(=O)N(C)C 782698441 XNMUFOLASJGRLV-UHFFFAOYSA-N 438.962 0.741 30 20 ICED COCCNCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785176810 QMKMZRDELAFKFY-HAVVHWLPSA-N 439.538 0.180 30 20 ICED C[C@H](CC(=O)NCC1(OCCO)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 800668801 ISQZHRNGENNCAK-CQSZACIVSA-N 425.507 0.178 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800778102 ZWLFZDUQSLGGAR-AWEZNQCLSA-N 440.551 0.098 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 810462803 YPFVVSCJKPGEHQ-HUEFVVPSSA-N 444.517 0.835 30 20 ICED C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2)CC1 812052367 QULYNRYFDUUHQZ-MRXNPFEDSA-N 444.561 0.902 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)[C@H]1CCSC1 820133080 MWIBVCNQYSHZBO-HNNXBMFYSA-N 438.575 0.391 30 20 ICED N#Cc1ccsc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685008 OMKVEUPAJCJIAT-UHFFFAOYSA-N 448.482 0.536 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)NC2CCCCC2)CC1 913773037 FJOXJFHPWHGGCQ-UHFFFAOYSA-N 433.534 0.912 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 1210949941 MRGRJHCFZFVDTA-HOCLYGCPSA-N 436.538 0.910 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1298013263 ISMBIIITINRYTE-UHFFFAOYSA-N 433.520 0.809 30 20 ICED CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1301796091 RQBXPOZNOZBJGO-FUHWJXTLSA-N 444.517 0.916 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319396379 PSIOFBQSCRHGFG-HOTGVXAUSA-N 433.490 0.303 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507779159 LAAZYRRNWGEXKP-GHMZBOCLSA-N 448.347 0.011 30 20 ICED CC(=O)N1CCc2c(sc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)c2C#N)C1 1540918070 JWCRRNUGDRLHKY-UHFFFAOYSA-N 431.499 0.960 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1545777401 ZJJFWPBOTNYJCH-NVXWUHKLSA-N 429.525 0.936 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1687426431 IVIOTUVSVVBXKZ-UXHICEINSA-N 428.537 0.913 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NC(C)C 1694351599 KGVMYMNMTWLQRL-KRWDZBQOSA-N 430.557 0.898 30 20 ICED CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 1696201057 WXDRDDDVEGZFQS-DKTYTTGXSA-N 440.504 0.698 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1712103120 QOPRHAXYZRKKCR-UHFFFAOYSA-N 437.504 0.638 30 20 ICED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1747535127 OFDBHKJQJHFIPQ-UHFFFAOYSA-N 447.503 0.882 30 20 ICED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750568084 JDTWHJQLZMXWDZ-KRWDZBQOSA-N 428.541 0.463 30 20 ICED Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751809908 YPKRACKOAASTKD-WMLDXEAASA-N 447.569 0.270 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(O)CCOCC2)c1 1770747688 PTROGUXIQVZVPD-UHFFFAOYSA-N 440.504 0.829 30 20 ICED O=C1NCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)ccc21 1778723239 NDTGMUFQHPSPBU-RWOVVYLESA-N 439.516 0.845 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103170 NRWQNOFSBIKGHC-VCTXJGENSA-N 429.539 0.504 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779103721 XSPPOMZOIDNMJE-VQHJOYQZSA-N 447.492 0.638 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1780172702 XUCVYJVOAYTFPL-JOCHJYFZSA-N 437.456 0.267 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)c1 1781104922 VZYPWJIFIYMCST-YBOAYWMSSA-N 428.464 0.961 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1781690542 AQGAQRWZDIICPB-WZONZLPQSA-N 439.516 0.169 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1781961584 IRCWDVWONSRWAY-JOCHJYFZSA-N 430.480 0.863 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782058 BRUBJSUDJBIEHA-IBGZPJMESA-N 436.490 0.506 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782871547 YMPKMSSDCFHSAS-ZHRRBRCNSA-N 449.504 0.694 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784453931 NWIOZUHBOXTKAI-ZVZYQTTQSA-N 437.493 0.725 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C[C@@H]21 1784482857 UACZNRCCOGGRIT-QZHFEQFPSA-N 428.489 0.672 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888559 KXJYFNSVTWSJID-OSMBCOQSSA-N 432.477 0.341 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccnn1 1790640699 QSEYXNVFBNWYEG-DBXVFXQDSA-N 434.497 0.348 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1792484572 PDXDLLYNTCWZNY-VIHSFTCESA-N 441.484 0.274 30 20 ICED 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)CC#N)C3)C1 1792529505 QLNUVTLODHJMHD-KMWNMMNJSA-N 448.520 0.373 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793246918 RJSQPEQUTJEESR-FDFFUELDSA-N 442.516 0.614 30 20 ICED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)nc2s1 1793666949 YXVZBKPVXWXQPR-XOIINTDNSA-N 428.518 0.925 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnn(-c3cccnc3)c2)c1 1794445398 XRYORNYTGRXGNO-XEMDLRDOSA-N 431.456 0.984 30 20 ICED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@H](N)C(N)=O)c(C#N)c1 1796086143 VPXRMVLPSBPJRX-ZMMAXQRCSA-N 427.505 0.340 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccccc1)C2 1797811099 GWLLQFIDGSSTNR-IJCPXSCNSA-N 431.489 0.839 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1 1812877668 NYPQJAKKAFFJEF-HTAPYJJXSA-N 432.440 0.461 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(F)cn3n2)[C@@H]1c1cccnc1 1812880586 QCQLTRKKDRQZDA-IFXJQAMLSA-N 436.403 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826106701 CPRGXPOERIPKCU-GZTOBOFZSA-N 438.531 0.731 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056766 RVWNTTOPZHXNSR-OAQYLSRUSA-N 426.477 0.658 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830592794 VJAFVFNDYDCCJL-RWWKDMOOSA-N 429.473 0.164 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4ccoc4C3)CCO2)C1 1830928285 YDKUZPIQTCPWFD-LYHRCORUSA-N 430.501 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(C)cc3)C2)C1 1831390934 AILQOSHGNVBMAM-CVDCTZTESA-N 430.501 0.869 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1831393192 UVQUQCIZWBAEFA-SBUREZEXSA-N 438.484 0.738 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)CC1 1831933506 DITTXMQZMNWKJZ-MGBKSAOESA-N 430.549 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Nc3cnccn3)CC2)CC1 1833468380 QXWFUUYOVHLTJR-ROUUACIJSA-N 442.564 0.887 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672459 LIZXSNPHPQPPSD-KRWDZBQOSA-N 425.599 0.070 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@H](c3ccccc3)C1)CCO2 1836585894 GSBHJCJYULGOHF-PGRDOPGGSA-N 441.440 0.048 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837440985 KGLUFZDYBSUJHC-UQQIOGDDSA-N 433.484 0.762 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1837524783 MOAJERJWLJVDTN-KHXXHPIRSA-N 438.506 0.742 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)c1 1838402022 GZMCLAPCVKTSKI-QFIPXVFZSA-N 445.520 0.149 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1 1838613144 WBSWMQABOSFMEZ-UHFFFAOYSA-N 439.472 0.358 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)cc1 1838951139 ADXQWRVCWQOSEG-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108918 UGRXMCZRAQCGHE-UGKGYDQZSA-N 434.581 0.435 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839175248 XBXULKBOJKJBBK-NRFANRHFSA-N 448.476 0.065 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222174 GIYIGCZUWFYDRZ-SYNHAJSKSA-N 426.514 0.158 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1839890999 GIFFGMDLZJICLZ-VQIMIIECSA-N 431.480 0.959 30 20 ICED Cc1ccc2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1840042591 CMGGSDOUGSAOSP-HSZRJFAPSA-N 437.452 0.701 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840160352 FNYVNLAHQHNPRH-QRWLVFNGSA-N 431.518 0.656 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840161774 AFDZHVLGLSXNDR-VLIAUNLRSA-N 431.518 0.860 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840166900 KGSYFBWVHZDGDH-JOCHJYFZSA-N 430.505 0.395 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1840175136 FQOFFVCGIPLVSP-ODGPQVTHSA-N 443.544 0.654 30 20 ICED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840566412 LTYWEZXRBASLSF-YITPPGKRSA-N 440.541 0.312 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cc3OC)CCO2)C1 1840639573 ZJTNEEBBMVYMFB-OPAMFIHVSA-N 434.464 0.943 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)CCC1 1840812989 WZMRLKJRNVGFTQ-AVRDEDQJSA-N 427.505 0.622 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCC5)C3)C2)CCC1 1840814196 TXDLEXZOHXKBSO-QFIPXVFZSA-N 427.505 0.983 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)CCC1 1840814699 DXOUINWXEJAAOU-IXFSTUDKSA-N 444.532 0.538 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)O1 1840819322 CPTWGHGJWJLGMD-LLBVYWAGSA-N 443.500 0.961 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1840903714 CBSLWNVWIYORDK-QHCPKHFHSA-N 442.516 0.731 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)C1 1841368727 QBYGNVSAJTVIIY-ZWKOTPCHSA-N 447.557 0.904 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845202145 NGXHUNAFDPLUKI-CQSZACIVSA-N 436.509 0.771 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1846413489 HQFQYIXHPDFDOQ-FUHWJXTLSA-N 438.484 0.691 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512502 PAGRPCWEMHMGAL-VGWMRTNUSA-N 426.514 0.875 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1847762979 LXZLNEZBYAHORX-HOTGVXAUSA-N 447.536 0.865 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(C#N)cc12 1847786306 XMTKUQBETKDYSU-ZLIFDBKOSA-N 444.517 0.578 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c(C)s1 409566787 DAAIQUJIYPINPE-AWEZNQCLSA-N 434.565 0.140 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 410122412 MNLMEBXNUVZQQV-IBGZPJMESA-N 437.566 0.580 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 410122414 MNLMEBXNUVZQQV-LJQANCHMSA-N 437.566 0.580 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 435951079 UZWWWFGIAPAVLN-INIZCTEOSA-N 442.490 0.190 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)C1=O 440261039 WUCGCHXRBISCKW-GOSISDBHSA-N 444.488 0.494 30 20 ICED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 445916019 PDPLXUXCMDQYBW-OAHLLOKOSA-N 443.547 0.515 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465120801 LEGRBWRVOSRDNI-CYBMUJFWSA-N 447.503 0.777 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)cc1 469121439 YURCROJEJRYBBM-UHFFFAOYSA-N 432.458 0.598 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471049302 WDGIDLWIVPIHIA-OAHLLOKOSA-N 441.488 0.260 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 473014641 KVIWBQAWGYIZGK-LBPRGKRZSA-N 449.924 0.798 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCOCC2)nc1 480468494 KUIWEUQIUJMGAU-OAHLLOKOSA-N 429.502 0.773 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 480794129 IZCBQWDXVMVBSV-MRXNPFEDSA-N 447.561 0.238 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 480969640 IMBTUYLNJQCRBQ-CQSZACIVSA-N 443.551 0.765 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482376861 HLJODAWLPUBUJF-CYBMUJFWSA-N 448.526 0.722 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccccc2)c1=O 488987257 TTXROVGAJATENA-INIZCTEOSA-N 426.494 0.972 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)CC1 516747097 FGGFSEKULNVOGD-UHFFFAOYSA-N 447.543 0.988 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 517886036 QKCCJLINCJJFNG-DLBZAZTESA-N 442.559 0.959 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(F)c2)c1=O 522283938 ZQLNEQKLKIKLAB-CQSZACIVSA-N 433.505 0.740 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537457 JHVIBCIONWTORS-UHFFFAOYSA-N 448.479 0.942 30 20 ICED C=CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 525704469 OHIPEGPUNMOHBW-ZDUSSCGKSA-N 432.520 0.891 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542086206 TYPUTRSLQXRFOX-UHFFFAOYSA-N 443.895 0.662 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCOCC 542941134 YLCVITQPBIFQAU-UHFFFAOYSA-N 434.499 0.721 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545491734 DIAYPALWWKPUPX-UHFFFAOYSA-N 449.500 0.938 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCO1 549853243 CULREMDRGPWAJS-MSOLQXFVSA-N 426.477 0.859 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2F)c1=O 553209242 WDUQYCKJQKOFOG-UHFFFAOYSA-N 437.468 0.490 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 554595066 HEPVNXKGKTZMJE-UHFFFAOYSA-N 431.449 0.891 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1 555026363 XWYJTZNSYPMJLO-UHFFFAOYSA-N 434.449 0.877 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 555691681 DPBSECRIRFJLOC-HXUWFJFHSA-N 427.549 0.386 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 573877046 LXIIWWOMHVZSQX-ZWKOTPCHSA-N 426.473 0.577 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589176040 HGYBAJVXTXOWBQ-UHFFFAOYSA-N 441.492 0.693 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 609340535 AJSVZEJBBGRSIK-HXUWFJFHSA-N 439.516 0.897 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 609794035 QLTQALGNAJLPCA-SFHVURJKSA-N 434.518 0.322 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)c1C 611187435 NFEMGKVYOKHLLH-UHFFFAOYSA-N 444.517 0.840 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 611616756 DEZFDTMMNBKOGV-UHFFFAOYSA-N 426.454 0.566 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)cn2)c(N)n(Cc2ccccc2)c1=O 730895789 QXGXITYKCPYTBP-UHFFFAOYSA-N 433.424 0.967 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(C)C 732795313 BCTVAJIWBZXKEQ-OAHLLOKOSA-N 431.562 0.997 30 20 ICED C#CCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 733160880 CPRWTRGHNYAVGX-QGZVFWFLSA-N 425.938 0.651 30 20 ICED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 733162047 CMJVMOWCRCXBDR-UHFFFAOYSA-N 437.518 0.116 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742539869 FQCSYYCUQYBSCN-ZDUSSCGKSA-N 430.552 0.292 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749856367 GFDPJDGGEQLARC-MRXNPFEDSA-N 444.557 0.907 30 20 ICED C[C@H](CC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 750073295 WUTNXIKQVVHPOD-CYBMUJFWSA-N 430.490 0.113 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(F)c2C#N)c1 751073563 AMXAKESZLKGXFE-LLVKDONJSA-N 440.478 0.911 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)[C@H](C#N)C1 755553540 QNAHBTSNAOSKQA-IUODEOHRSA-N 431.449 0.364 30 20 ICED COC(=O)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 764595349 PXEACGOLMNRXQR-UHFFFAOYSA-N 437.474 0.278 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 766055710 DWRRCBGWXMYYTM-UHFFFAOYSA-N 437.499 0.830 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 773050663 KYFKILJIAAGWKD-INIZCTEOSA-N 437.518 0.964 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CN(c2ncccn2)CCO1 774630143 RKNJBACMJSPSOR-HOCLYGCPSA-N 431.474 0.464 30 20 ICED CC(C)CS(=O)(=O)N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 777512179 VSWCNSLMSAALJL-UHFFFAOYSA-N 442.563 0.292 30 20 ICED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784199387 LMZUPTFHWYQSJL-CYBMUJFWSA-N 436.490 0.161 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCCN(C)S(=O)(=O)N3CCOCC3)CC2)o1 793148693 WIRKLEFIPWPBJQ-UHFFFAOYSA-N 441.510 0.123 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(C#N)cs2)c1=O 794582686 YDOXIRXSIYREIS-CQSZACIVSA-N 429.523 0.988 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(CCOC)CCOC)CC2)cc1 803558428 VMNZEAACYNHIDH-UHFFFAOYSA-N 437.562 0.798 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 807110896 ZSTGEHBGRHLFIJ-CABCVRRESA-N 429.543 0.716 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ncc(C#N)cc2C)s1 816002270 OVIGWCZDBFHVJY-UHFFFAOYSA-N 442.544 0.924 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)cc1 816129997 VEJDBZCEERLWSI-UHFFFAOYSA-N 438.443 0.835 30 20 ICED C=CCNC(=O)COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 842817247 WDNUNQKOXREFQN-UHFFFAOYSA-N 426.451 0.304 30 20 ICED CCOC(=O)CSc1nnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 890067050 GUVXWWBBUIINNI-UHFFFAOYSA-N 441.516 0.871 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(CCC#N)c1ccccc1 914655875 RDNXYJJYTOLHMC-JZXOWHBKSA-N 447.513 0.901 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 915477061 AGSIIRGNNIEVTM-PJIJBLCYSA-N 425.507 0.945 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 917155877 IZCGODJQHDAWFU-UHFFFAOYSA-N 442.541 0.935 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccc(F)cc2)cc1 918816971 DUALULANAOCWGP-UHFFFAOYSA-N 435.433 0.714 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2cccc(F)c2)cc1 918818074 VYNGKPDDSVAHOB-UHFFFAOYSA-N 435.433 0.714 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1157683466 VESBYYDUSRJAFM-ZDUSSCGKSA-N 431.522 0.815 30 20 ICED CCOC(=O)N1CCC(N/C(=N/CCCN2CCOCC2)NCCn2cncn2)CC1 1346081626 GXLZLFBCOPOGBA-UHFFFAOYSA-N 436.561 0.157 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1360714764 RPBIHMHTLXXXNB-HUUCEWRRSA-N 439.542 0.020 30 20 ICED Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1503674275 UMTUMINDKZKSQD-UHFFFAOYSA-N 441.521 0.512 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C 1541909902 NFJHDGIERRTETO-ZDUSSCGKSA-N 429.510 0.573 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1612977995 KBNYCNOIPMYXRO-KSFYIVLOSA-N 439.520 0.462 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1628786877 JXXOMZQSNAZZPV-AZUAARDMSA-N 437.475 0.945 30 20 ICED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1631090895 JSIPLHWWONGUSR-KRWDZBQOSA-N 445.863 0.532 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)c1C#N 1638689814 LOBCAHYSUAWSNQ-SFHVURJKSA-N 426.477 0.536 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1706073994 URSNVUUCIIEJDW-VLIAUNLRSA-N 447.517 0.862 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709903047 JEKAITDPKJCFIW-UHFFFAOYSA-N 436.524 0.992 30 20 ICED CN(C)CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1729339192 SQPFPGPKFUGKKR-QZTJIDSGSA-N 439.520 0.947 30 20 ICED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1731184819 VOSADKVAUFGCPE-UHFFFAOYSA-N 428.518 0.968 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1778881850 AYCBPTUMVLQCAG-YCRPNKLZSA-N 426.477 0.630 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1779014900 KORBQROCQNMIDG-RAJMRQGUSA-N 435.569 0.839 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779035700 LQLRHXWYNMBORX-JOCHJYFZSA-N 443.573 0.805 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779219300 FJCVUVFUXMUJOX-KSFYIVLOSA-N 440.479 0.998 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1)C(=O)O 1780347600 QIHZKOJZTGWJBD-NJNPRVFISA-N 428.489 0.748 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(C#N)c1 1780687749 HXVKPCGKDXMHSE-AUSIDOKSSA-N 439.468 0.711 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(C#N)c5)CCO4)C3)CC2)CC1 1781107951 KTLRJSYUAKYPQE-HSZRJFAPSA-N 437.544 0.782 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781649481 AHAWPHPRODTSLO-FRQCXROJSA-N 430.592 0.997 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)cc1 1783441335 LNUVHERTQJUOGU-FKBYEOEOSA-N 440.544 0.803 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783521592 QYTSIEZFUUIRLY-GSHUGGBRSA-N 437.537 0.894 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCS(=O)(=O)c3ccccc3)CCO2)C1 1783889998 NMVUKZRHLSNZOB-HNAYVOBHSA-N 426.560 0.999 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784157163 YBSKESYCHWGKMH-SBUREZEXSA-N 428.485 0.884 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1784484446 CRKGYZDQNUJDPW-BJEPVBOKSA-N 443.500 0.470 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785328176 LXHYDGMIDUWLCF-YEWFCNIMSA-N 440.500 0.386 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1785571470 BTTHJXUONMAKCC-AOMKIAJQSA-N 443.504 0.837 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787521489 YMHKBGXLHBCMTC-OITTZMCFSA-N 438.525 0.362 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4cc(Cl)ccc34)[C@H]2C1 1788411332 MBKCSNNTEWCFTK-PJODQICGSA-N 430.848 0.898 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1788574634 HFFTXLOQYQPCNR-UOVPBQLFSA-N 427.505 0.896 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1790873058 WVGJGTGKXIFNKV-QOSFWDOTSA-N 433.530 0.993 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(C)c1N)C2 1792488575 IVZZVPNWCTWUNV-KULPGCBOSA-N 430.480 0.778 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416250 CZNSHWHWOANIQP-WGLCMCTQSA-N 428.489 0.059 30 20 ICED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997345 ZJGYUUGVDAUULZ-GNXNZQSNSA-N 449.393 0.618 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)c1 1797655606 CQKIBNBZWMXDHL-MIFYACCESA-N 425.363 0.867 30 20 ICED NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836238 BLEHKUWFMBGIRQ-GBZOZTMXSA-N 425.445 0.096 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798474115 YJKQRRFYDSCKRL-XOIINTDNSA-N 431.445 0.523 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260809 UBGHMHKTRMPZDO-XEMDLRDOSA-N 437.537 0.921 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800153592 QQFHWSZYFNZHOH-OJVCSNARSA-N 426.517 0.933 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779030 MGEHUIHOCJXYOB-XYKMGWITSA-N 447.488 0.064 30 20 ICED O=C(O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801022014 FSEUENZIILQBMN-BPNQKZMOSA-N 438.527 0.894 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802112496 RWUCJQPTRCICRJ-HNULKUCHSA-N 427.501 0.433 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)/C=C\C(=O)NCC=C)C2)CC1 1804849249 NAYAVYMIUXQOLD-VRHVFUOLSA-N 428.533 0.934 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)C1 1806003617 VCIBDPJPRZRMFT-KRWDZBQOSA-N 441.532 0.900 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810398855 HITKYCMVSOVRTR-QLWSVDIHSA-N 449.467 0.725 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812881799 FITNSYJJAQLEAP-XXBNENTESA-N 448.479 0.914 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1812882680 OIAAFZGVMMRMCL-UGSOOPFHSA-N 446.510 0.036 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815664026 JMMKFHMMCOBMGH-HNNXBMFYSA-N 432.481 0.936 30 20 ICED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825120347 CWBOICNUBWYWRY-ZJUUUORDSA-N 428.478 0.707 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955505 IXBDUZCKIUMZKN-WZONZLPQSA-N 444.532 0.988 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1829266462 VZUYJXHPKXWBRK-QHCPKHFHSA-N 449.467 0.469 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc1 1829631965 NFUMUOUDJOVBJO-JOCHJYFZSA-N 438.488 0.239 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn1 1829901139 WEGPYSRJFXWMQY-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1831390928 AHVQWROWBNIANA-VGSWGCGISA-N 430.505 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1831393955 SNZLKVCPGNNZEY-KSFYIVLOSA-N 427.457 0.936 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1831427177 PYFXHQBAXJCSCQ-QINHECLXSA-N 438.550 0.991 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831993810 FNPPUNRNSWICEA-NRFANRHFSA-N 432.477 0.688 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1832447251 SLOQPHITYYTPJN-OAQYLSRUSA-N 445.545 0.807 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4COc5ccccc5O4)CCO3)C2)CC1 1832494086 UFSTXKNNTCJDRS-GCJKJVERSA-N 427.457 0.587 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)cc1 1833106654 NHKCOZYBAYLOHD-UHFFFAOYSA-N 425.537 0.155 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(C)n1)CCO2 1833459085 PBKFOOOUEJGUJU-DYRFGFBLSA-N 446.479 0.458 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnsn2)CCO3)ccc1F 1833534200 NDVCXYJYTQCLLL-FQEVSTJZSA-N 445.476 0.862 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192590 LQGUIOFRTVZVJO-FFCJBUTOSA-N 428.445 0.569 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1)n1cnnn1 1834518776 XJOKRYFYZDXBFF-SFHVURJKSA-N 435.532 0.857 30 20 ICED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1834623164 OFDYEJLRFQEDLQ-UHFFFAOYSA-N 430.597 0.499 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834856783 WMSJAWXXINHOFD-JOCHJYFZSA-N 447.463 0.649 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835123999 ZZGXZCANSIOZCQ-PGRDOPGGSA-N 449.624 0.773 30 20 ICED N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778052 MFYKFBZNMOKCNZ-ZVHZXABRSA-N 443.552 0.110 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1837395132 QGWAGACBFPBVQL-HTAPYJJXSA-N 448.520 0.518 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1837395257 VJCWSRXRYGOXGT-JTSKRJEESA-N 433.505 0.733 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837447399 MTJYSKCFRKLETI-DIVQNALZSA-N 449.596 0.646 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837453348 ZSOJFEKFSMYVKE-VGOFRKELSA-N 449.504 0.881 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838386980 XCPDKWNYUKAVCX-GOSISDBHSA-N 447.532 0.483 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649965 UQILIYMRNGLMHV-CMEFWWCBSA-N 448.476 0.386 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838951369 MPNVHRXUQSTMDC-XFNOLROGSA-N 438.528 0.968 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839222933 FSWHVNNFSJIINI-VGSWGCGISA-N 448.520 0.890 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628222 VECLVCIBYROCJE-QVKFZJNVSA-N 429.477 0.619 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2)C(F)(F)F 1839762652 YBQOYYHOVVNVDL-QGZVFWFLSA-N 434.411 0.905 30 20 ICED Cn1ccc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c21 1840042586 CGOHQGKOMIKPIS-QFIPXVFZSA-N 425.441 0.336 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1840163803 OEUCTHAZPFKGMQ-SPLOXXLWSA-N 433.530 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343271 DCNNSATYXYPLPQ-KTBYTZPXSA-N 432.477 0.389 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840362834 CNTVNEJVTRZDHX-ICPLQIHGSA-N 446.548 0.544 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840386312 UBHQVRNUDMAVPY-GCJKJVERSA-N 432.521 0.466 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1)C(F)(F)F 1840458855 CYVACDJIXHFOBI-SFHVURJKSA-N 428.411 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842056520 XXQZQEDASOVKLY-LMVHVUTASA-N 441.488 0.055 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]c3c2CS(=O)(=O)C3)cc1 1847307874 GIAUQEIUJOFXGN-ROUUACIJSA-N 439.497 0.768 30 20 ICED N#CCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 16114236 OSHQDRODRCBNFM-ZDUSSCGKSA-N 429.882 0.984 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 409520748 KOIKORXMBMYQOA-CYBMUJFWSA-N 431.496 0.237 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 431500477 RQKFJCSQBGIHIF-UHFFFAOYSA-N 428.898 0.661 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441949346 NEFUZMQUPUQPQE-QGZVFWFLSA-N 427.526 0.602 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@H]1CCOC1 441961906 RJVUMPZSZMVLSH-QGZVFWFLSA-N 441.553 0.829 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 447133781 RNCDTUDLRXLQOO-CYBMUJFWSA-N 428.898 0.755 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 447394339 QGVJHOLULPLOOL-OTWHNJEPSA-N 436.578 0.803 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 460714663 CUZKTECRANYXLF-VQTJNVASSA-N 445.483 0.829 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c2ccccc21 471982225 YBVYUXLEPNTFRW-UHFFFAOYSA-N 439.566 0.895 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477250236 NXLRFEPDIISTRV-UHFFFAOYSA-N 431.445 0.848 30 20 ICED COc1cccc(C(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480453910 NFTFTFDEQNSQKO-CQSZACIVSA-N 430.486 0.780 30 20 ICED COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(N)=O 480488108 QDCDIPDJYADOLC-ZDUSSCGKSA-N 446.485 0.414 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 480962876 XYHDQKNRTZYAAQ-UHFFFAOYSA-N 437.437 0.660 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCC[C@H]1O 481538684 FMGLUHAMTJLZDX-RTBURBONSA-N 434.562 0.874 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sccc2OC)c1=O 481583735 AGCYFIFIFUMMQM-UHFFFAOYSA-N 444.582 0.833 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](S(=O)(=O)N4CCCC4)C3)CC2)o1 487171946 MGMFVWVEQNVKJA-MRXNPFEDSA-N 436.538 0.003 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1Br 498668799 SKLKGWVZLKSDDL-CYBMUJFWSA-N 436.310 0.963 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498973065 GHGRJCPUGUYIQO-OAUYIBNBSA-N 426.926 0.314 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505414897 MRWXFEHYZXSMBS-IBGZPJMESA-N 438.488 0.838 30 20 ICED CN(C)C1(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)Cc2ccccc2C1 506392382 ACLSMSWGLLEURR-UHFFFAOYSA-N 432.528 0.817 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCO[C@@H](C(N)=O)C1 508492602 WRQDJITZLNMLDI-QGZVFWFLSA-N 446.533 0.606 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1C 508652753 IMOJXFNFBRRIOB-UHFFFAOYSA-N 449.471 0.936 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513289576 PYRMGECGGDGRNB-SWLSCSKDSA-N 448.480 0.656 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 515516598 GPSMHBVRGQJHBQ-UHFFFAOYSA-N 432.424 0.935 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(F)c2)c1=O 523089591 PXBDISKOQCGDQE-UHFFFAOYSA-N 433.505 0.741 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 532311495 QCHPAZUEENVPIH-LBPRGKRZSA-N 432.444 0.845 30 20 ICED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCC1CCN(CC#N)CC1 534169319 TXAFAFCAPNINKZ-UHFFFAOYSA-N 430.552 0.971 30 20 ICED N#CC(C(=O)c1ccc(Cl)cc1F)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 538006538 WAMXFQSMSUHEFS-UHFFFAOYSA-N 442.859 0.969 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)CC1 538066508 FRFKFTAGJJCNFH-UHFFFAOYSA-N 428.411 0.855 30 20 ICED C=CCn1c(Cc2noc(CN3C(=O)NC(CC)(CC)C3=O)n2)nnc1N1CCOCC1 545647459 MRUXUCDEASZKLH-UHFFFAOYSA-N 444.496 0.885 30 20 ICED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 553397045 LODDXVOVOWDWMS-SFHVURJKSA-N 436.516 0.592 30 20 ICED CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 557372237 ZWRSQHAEWCCYIT-SJLPKXTDSA-N 426.521 0.801 30 20 ICED COCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1C 558039960 AJHHLAUDNFYDMN-SJLPKXTDSA-N 431.512 0.961 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O 561130400 KZPYWSDAPOITJL-LJQANCHMSA-N 426.517 0.961 30 20 ICED C=CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 563979044 BVHISVRWSMMMHH-FQEVSTJZSA-N 428.533 0.813 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2C)cc1 566718436 IPVHNFOTJGCFNE-UHFFFAOYSA-N 430.486 0.813 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609127095 XKMSYSFAXCWJHV-LJQANCHMSA-N 425.489 0.862 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(C)(C)CN(C)C 732564093 IMSQGLUSNBNVBJ-UHFFFAOYSA-N 442.589 0.519 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 741085910 HIFYJUOWYPBXGA-ZCXUNETKSA-N 442.432 0.589 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743728654 NSBCBHDGZWGVDK-UHFFFAOYSA-N 427.530 0.501 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 743916574 WLPGPISJDJZRPE-UHFFFAOYSA-N 429.404 0.965 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)Nc1ccc2c(c1)OCCO2 744032735 WKGSQMMLVYQBIT-RFKJWAKASA-N 439.424 0.658 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)C(=O)N1CCS(=O)(=O)CC1 744129608 AEHLZMPUTQTYSN-HIFRSBDPSA-N 447.542 0.874 30 20 ICED COc1ccc(N2CCN(CCNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 746175780 XDBHDCRUKMXAKC-QURGRASLSA-N 427.505 0.850 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 747850282 YJEXEMZHRYUSEZ-UHFFFAOYSA-N 439.559 0.621 30 20 ICED COCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 753997163 YJVKJMGKIILHIM-LJQANCHMSA-N 449.467 0.999 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758059529 PXNMJPJRVPROSA-UHFFFAOYSA-N 425.558 0.821 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCCO)cc1 759916396 HRNWZOLDKPPZPR-JWGURIENSA-N 425.511 0.510 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)s1 761163041 ZPGYFORHIYPKPW-UHFFFAOYSA-N 426.451 0.953 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)CC1 761217636 GYCMOMSFYTWWCN-CYBMUJFWSA-N 427.417 0.524 30 20 ICED C=CCOC(=O)c1sc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C(=O)OCC)c1C 762367307 ZVFAKBHMNJICMD-UHFFFAOYSA-N 437.430 0.935 30 20 ICED COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C(N)=O)cc1OC 765328484 FXVYLFAVAYBWER-LLVKDONJSA-N 432.458 0.980 30 20 ICED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 765893555 ISMXRYJOSHSMPU-VERWNPAXSA-N 449.533 0.469 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 766986468 SJJBDTYIQGTVMZ-UHFFFAOYSA-N 439.471 0.867 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 767431597 RGZJRAIIJXLMCE-UHFFFAOYSA-N 435.502 0.807 30 20 ICED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770869009 QDRJSTCBKXFSJW-KRWDZBQOSA-N 430.486 0.965 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 773394209 YFGMELMXHKPQQE-UHFFFAOYSA-N 437.518 0.536 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 773639401 LLCNULMBCPRRJX-JKSUJKDBSA-N 439.534 0.378 30 20 ICED C[C@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 776417477 PZNFIVBLESVJQK-JKSUJKDBSA-N 435.502 0.749 30 20 ICED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784415893 QSDVCYOOLGLWBE-HEQHKCQXSA-N 449.533 0.421 30 20 ICED C[C@H](OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NC1(C#N)CCCCC1 786996129 JNKRVZSEVXFGIN-ROUUACIJSA-N 434.537 0.974 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 787907550 DFJFNTQNBXYQFT-XLNRJJMWSA-N 449.533 0.519 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 791395600 GKEIHBRLAHWHSK-UHFFFAOYSA-N 428.470 0.408 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 799284551 IULKLWJERQHIEO-QZTJIDSGSA-N 429.473 0.683 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCCF 800643520 LGZSNRHLOMZNQY-QRLOFXTQSA-N 441.485 0.028 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC(=O)N1C 800657666 WAUISISZSFSDNX-JEEMYIIMSA-N 435.506 0.127 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)c(F)c1 807381038 AJVOCJQEQZLUHK-UHFFFAOYSA-N 442.440 0.854 30 20 ICED C[C@@H]1C[C@H](C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C(=O)OC(C)(C)C 807978982 KJNHEQUFBPFWIE-CHWSQXEVSA-N 443.526 0.384 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 815783591 VCERVYMYSFGGEP-UHFFFAOYSA-N 449.460 0.961 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 816129285 QRXXJQKDKGBRPU-HZPDHXFCSA-N 448.457 0.713 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCCOCC 837349895 ULYCIXOHWNIIQZ-UHFFFAOYSA-N 431.562 0.716 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 839370202 MUHCBLVKIQPABO-UHFFFAOYSA-N 431.587 0.958 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 857838979 SJLDXRSAMPQTNM-HNNXBMFYSA-N 425.507 0.792 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cn2)CCO1 915652457 WSXCYBMKZZJDSC-AWEZNQCLSA-N 429.502 0.662 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CCOC 916198597 QMGOXBFVZMLPMD-UHFFFAOYSA-N 447.582 0.934 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 917036212 VRDQFLSKTLWNKX-SOLBZPMBSA-N 447.513 0.098 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1288726878 WQYOVMNJZDTEIY-MGPUTAFESA-N 432.550 0.753 30 20 ICED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1=O 1296106619 VPBDDFRSDLDSKT-UHFFFAOYSA-N 445.549 0.767 30 20 ICED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1316536183 NBKRAHBKHZPAJB-HZPDHXFCSA-N 441.579 0.745 30 20 ICED CN(C)CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1332402475 ZOHQPWUBZXRJFO-IEBWSBKVSA-N 432.546 0.879 30 20 ICED O=S1(=O)CCCN1[C@@H]1CCCN(/C(=N/CCn2cncn2)NCc2ccccc2)C1 1336725039 PDHGDHGHEMVPMP-LJQANCHMSA-N 431.566 0.924 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507860121 JTMCAIQRQAETFA-HNNXBMFYSA-N 429.872 0.625 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1511220265 YNOVSNDRRMHNQZ-KRWDZBQOSA-N 434.522 0.786 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1512580928 NULPWBGNDOBRMP-NBQZKYEYSA-N 447.517 0.617 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1552887589 LGELTIKEPWJITN-CQSZACIVSA-N 444.583 0.202 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CCO1 1555992320 NIUDVJPTTRTOIF-JXFKEZNVSA-N 446.895 0.742 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555993439 OIWMUWDRWPVWIB-LSDHHAIUSA-N 425.511 0.188 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@](C)(NC(=O)C(F)(F)F)C3)CC2)o1 1648109452 IURANNLROHJCOE-QGZVFWFLSA-N 428.415 0.646 30 20 ICED CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N(C)C 1694286436 SZLVCHAFYBUAAU-UAGQMJEPSA-N 441.602 0.983 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1705747743 TWQSFJRANZBINQ-HUUCEWRRSA-N 432.978 0.799 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1712711407 LVGZUFLMOVKIHJ-KRWDZBQOSA-N 443.533 0.567 30 20 ICED CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750206466 YZRFYOQUJQWGOG-HNNXBMFYSA-N 444.521 0.147 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)on1 1751973615 YYWOIQLEWGELRV-DZGCQCFKSA-N 434.526 0.410 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777981831 GNRDHVWFSOOCMU-NRFANRHFSA-N 425.493 0.455 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052596 FYEFMBRNLKGEQO-QFIPXVFZSA-N 449.471 0.564 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1779036088 WZAPCQFNZPQHPQ-NRFANRHFSA-N 429.546 0.415 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779107056 RFRYEZCYQNMKCP-YBTWFPHOSA-N 432.477 0.689 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780037451 LIZPVXFTPZDXIQ-QFIPXVFZSA-N 435.440 0.102 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171024 HZGUBKKFNZBDSV-HXOBKFHXSA-N 425.485 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1781272146 XFLSXACWOBJXDV-HRTMPFAESA-N 434.489 0.669 30 20 ICED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1)C2)C(=O)C(=O)O 1781540784 ZSSJWAVTAMOMRV-VGOFRKELSA-N 442.472 0.229 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781852771 HZFLCJRYDCMHFE-IQUTYRLHSA-N 431.555 0.614 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782557656 DDUDVWJYUJARIV-VGSWGCGISA-N 431.537 0.753 30 20 ICED CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)cc2C1 1782561672 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CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1792630135 UGEGXCDATUAEAC-HGKCTWBKSA-N 433.530 0.990 30 20 ICED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793748839 QNUVGOIVPYLYNQ-OPMZPASUSA-N 428.489 0.395 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794386221 GDPUXGOBCRTGTK-HLPPOEQASA-N 449.533 0.658 30 20 ICED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1795088758 IHDOGSKBHMUSFS-FJQDHSIPSA-N 427.457 0.889 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1795599962 NEKDNUOCHYZXKA-IVWMJMPLSA-N 432.477 0.288 30 20 ICED O=C(CCc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795805556 ACSMNBLLHQLNPA-MSHIPTOESA-N 431.493 0.528 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]c3c2CS(=O)(=O)C3)c1 1796384116 DMKSKFILYYCXGS-CLLJXQQHSA-N 428.474 0.603 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796878860 ITDLSIQCEBZRKH-XYFZXANASA-N 436.534 0.936 30 20 ICED CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797811355 LOOQRNPBYKYOTN-VLKJZKPKSA-N 434.497 0.591 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)N1C[C@H]2C[C@H]2C1 1797812288 PKMCAAOARNFPOX-KNXCETCSSA-N 434.537 0.445 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nn1 1797815217 LTIQEETZWPXRPO-ZIFADMAISA-N 433.465 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324981 UKGGSVBMHGCRSQ-UPZFBSBQSA-N 440.475 0.688 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnn2c1CCC2 1799963849 RELBKCNQJNWRGA-UHXXWTPBSA-N 431.493 0.562 30 20 ICED C#CC(=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 1800454913 QQYSTLJPRHGBIS-FJANGAQTSA-N 433.505 0.234 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1800544597 LQCAUWJJPLBHRW-IEECTRCBSA-N 430.477 0.590 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1800987578 CVJGVQHRTDSKGZ-OVZMXSCWSA-N 430.523 0.751 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1800994032 CZHCGZUDRZMIGA-CLWJZODNSA-N 437.537 0.655 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801735866 HJCXSUXYWYXSRW-ACDBMABISA-N 437.657 0.962 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(=O)OC(C)(C)C 1801970023 VMXLBMKXPOZCFC-JCECYMMASA-N 437.537 0.918 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1803571253 ODPKGLKBCGOZHP-MMOPVJDHSA-N 425.489 0.935 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1808228435 DHUHUAIYHAVOPE-SQNIBIBYSA-N 443.552 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1808439313 LPYXVTSEDQZVPD-LPHOPBHVSA-N 427.465 0.284 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810250123 RVEJZWYILDJZCM-XLAORIBOSA-N 448.520 0.725 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811456101 OQMOJKCPOKUPSU-UZLBHIALSA-N 439.472 0.994 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1813039446 KXELZCIGCNYMOQ-QEORTHHSSA-N 428.518 0.659 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCSC(=N)N)sc2C1 1814936436 IBXFDMSHCOJCAC-GZTOBOFZSA-N 436.563 0.930 30 20 ICED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815323281 FHALRGOFWOYJGI-VIFPVBQESA-N 426.462 0.650 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817358268 NXJLJVCPSWIXBC-DDMNRJSTSA-N 429.481 0.707 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826037566 MCZHWTBIGWGVMQ-NSHDSACASA-N 425.474 0.903 30 20 ICED CNC(=O)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803447 PXIWQZKAJHWNPQ-QFIPXVFZSA-N 441.488 0.488 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829824687 PGWJANIHHIDYNX-XZCAYTCKSA-N 431.445 0.482 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902659 XLOAHIRQNMOYPT-HXOBKFHXSA-N 442.516 0.424 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197740 BBOXEZFCEBAZEM-PZJWPPBQSA-N 447.561 0.842 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4sc5nccnc5c4N)C3)C2)CC1 1835342999 WIMJPELGMIRKPA-FQEVSTJZSA-N 442.501 0.647 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835345816 DSJUVUSSDKZTPD-OAIBDCNXSA-N 442.472 0.517 30 20 ICED COCCOCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778040 KXNWMLFBJKCGKT-HZHRSRAPSA-N 434.537 0.933 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919884 DRTHADYCRCDACA-OAHLLOKOSA-N 445.520 0.951 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108813 ATUFOZVPRSWIEG-UZLBHIALSA-N 436.534 0.616 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168707 LLMGBVDTIRWBPJ-UHFFFAOYSA-N 428.537 0.986 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1836279802 MHUIVGKICQOFQW-RRPYSREYSA-N 449.508 0.571 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836995380 OVEOFMWXEPGDFO-VGOFRKELSA-N 426.473 0.443 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445159 HKNKHKQTSGILHK-UKKLRFBMSA-N 446.508 0.027 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445303 OTFGCLOAIOWEHP-SFRQHRMHSA-N 437.541 0.715 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490611 IYZOCRUIPYEGTQ-JOCHJYFZSA-N 430.505 0.487 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3ccccn3)CCO2)C1 1837737723 DCFIMXHXRXLFOH-SVMVAKDDSA-N 432.521 0.930 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838737851 AYBQOKVEXYZGSM-OAQYLSRUSA-N 435.444 0.313 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1839225506 LEGMROXRYVFIGN-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839226892 XVIWGFBAVUPXJP-DYESRHJHSA-N 435.525 0.826 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1839488988 LUEIBCIZQCNDKB-QFIPXVFZSA-N 438.488 0.066 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1)C(F)(F)F 1839892521 RFFCXZPSFKDGHD-SFHVURJKSA-N 435.443 0.284 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)C1 1840041728 DSWBGFIIVONOMY-HXUWFJFHSA-N 446.847 0.326 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410922 PTCXQZLFVXUDMD-FFCJBUTOSA-N 443.460 0.024 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c1 1840713706 ONKKCLWDXPVWTR-KSFYIVLOSA-N 438.488 0.826 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCn2cncn2)C1 1846547803 LZLVTXLHILZSMZ-INIZCTEOSA-N 430.509 0.788 30 20 ICED C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CS2 26879748 PFRWVDNSDKBMFC-LPHOPBHVSA-N 434.543 0.845 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 29025714 VCADZLMRCLPSEY-UHFFFAOYSA-N 434.562 0.921 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2N2CCCC2=O)c1=O 29494890 WECPTEUOLFNRRV-UHFFFAOYSA-N 425.445 0.309 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 32684340 MLSVBASDUXXSTB-HIFRSBDPSA-N 444.435 0.848 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 428409261 BAWHLSNWBUKVGA-AWEZNQCLSA-N 446.514 0.599 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 428687722 WUBOHLMZBCAFOW-DGCLKSJQSA-N 432.424 0.752 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(CC(=O)OC)c2)cc1 438811715 MKALOOITVJGTIY-UHFFFAOYSA-N 428.492 0.663 30 20 ICED Cn1cc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(C(F)(F)F)n1 439422661 NFSZBJSBAIPKNB-UHFFFAOYSA-N 432.366 1.205 30 20 ICED CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460602689 QNOHEBIROOMVNQ-UHFFFAOYSA-N 445.483 1.551 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1NC(C)=O 472863549 OMEHYPHAOQMLSR-UHFFFAOYSA-N 439.476 0.855 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 479012489 BBUMCOUPXKENOH-SJLPKXTDSA-N 436.534 0.175 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)nc1 479108422 ZGUSORGCOFSKTD-UHFFFAOYSA-N 425.470 0.570 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C 483686530 QTQDLXMMVXDINN-UHFFFAOYSA-N 442.501 0.457 30 20 ICED COc1cc(C#N)ccc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 500830346 RBPLVLYLBVKACS-UHFFFAOYSA-N 429.458 0.961 30 20 ICED C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508789052 FWSLORWANPHAQL-UHFFFAOYSA-N 437.508 0.995 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)OC)C1 508810128 NZVXTXWWSXVEEJ-QGZVFWFLSA-N 449.533 0.971 30 20 ICED CN1CCN(c2ncccc2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 508966326 IRTHOBOPWZVINU-UHFFFAOYSA-N 427.530 0.936 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n(C)c1=O 511693474 XBLJLNIJFAYWCN-UHFFFAOYSA-N 436.407 0.659 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)nc1 517329662 LUTWLHAOGTYOGE-UHFFFAOYSA-N 443.467 0.897 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1Cl 526038085 XJRPOYYYFNFMNM-CQSZACIVSA-N 445.928 0.856 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 532898859 CRNMAHSSAUMMER-SFHVURJKSA-N 429.458 0.999 30 20 ICED CN(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 551083244 RTOIKINBNFQYSR-OAHLLOKOSA-N 426.520 0.103 30 20 ICED CCOC(=O)CSc1nnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 553555554 YUFAMWGOBTYRRC-UHFFFAOYSA-N 441.516 0.982 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 557705120 KYBFZUZCNNCDCJ-FCEWJHQRSA-N 427.505 0.395 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 558141779 WCCXWOWBMVDPAT-QGZVFWFLSA-N 448.483 0.532 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(CCN(C)C)cc3)CC2)c1C#N 558426479 KTPGLLDUIWBEHQ-UHFFFAOYSA-N 437.548 0.669 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CCO 570763420 MWIBBIFXKGMJAP-YUXAGFNASA-N 434.585 0.464 30 20 ICED CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 572172473 BJYQIMRACVYIPO-UHFFFAOYSA-N 439.457 0.765 30 20 ICED CS(=O)(=O)Nc1cccc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 573886427 MUAOSWSVWUQHCW-UHFFFAOYSA-N 448.526 0.793 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 573947686 FUGGLKJZJIQSPR-QGZVFWFLSA-N 435.554 0.446 30 20 ICED Cc1nsc(N2CCN(CC(=O)c3c(O)nc(=O)n(CC(C)C)c3N)CC2)c1C#N 580366201 RECZZJMWTFEAKH-UHFFFAOYSA-N 431.522 0.829 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 589400911 IRLCHJWWPRNKAY-AWEZNQCLSA-N 444.455 0.571 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 608843365 PRGTUXRKGAYQAI-UHFFFAOYSA-N 448.531 0.919 30 20 ICED CC(C)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609386463 UNDVVUNJXLJIAI-IBGZPJMESA-N 433.578 0.854 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 613094289 BZJDRBUEFITPTK-UHFFFAOYSA-N 436.476 0.746 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn(C)c3)c2=O)cn1 726180061 ABFJWEMSYCTTLJ-UHFFFAOYSA-N 446.496 0.386 30 20 ICED N#C[C@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CCO1 729980628 RAWLCQQIKXISOI-ZDUSSCGKSA-N 444.307 0.835 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734035587 IYZYFEJFHPGUHV-UONOGXRCSA-N 436.490 0.238 30 20 ICED CN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 784964866 UUQAEDFOLWLNSH-UFPHYQGISA-N 435.506 0.127 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1 793717578 HQIRRLHZBPASDC-GOSISDBHSA-N 449.515 0.499 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCS(C)(=O)=O)c1=O 795198109 TXATWNODJNUGIY-UHFFFAOYSA-N 448.570 0.259 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)[C@@H]1CCCO1 809304119 FMKKYEOCCWYWMT-MSOLQXFVSA-N 433.530 0.433 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 810870356 UZEYZSJIUGJMKR-UHFFFAOYSA-N 443.485 0.400 30 20 ICED Cn1cc(/C=C\C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(=O)n(C)c1=O 913552971 DIVVGAVOTFVSDB-KHPPLWFESA-N 433.472 0.486 30 20 ICED CN1C(=C2C(=N)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)N(C)c2ccccc21 915592772 QCUPIZAMOHEBNH-CYBMUJFWSA-N 431.518 0.340 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCOC 916198234 HMYPMIHRUPOGNH-UHFFFAOYSA-N 429.542 0.829 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c(=O)nc1O 1292165396 PGWCREZLXYXQLX-UHFFFAOYSA-N 429.864 0.778 30 20 ICED COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1315557860 MVGBCHPQSUFAQI-RTBURBONSA-N 435.481 0.945 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)COc2ccccc21 1323978558 XKNZJBRLCCOYST-AWEZNQCLSA-N 428.470 0.767 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452955192 OSRSHEMESDSXFR-FQEVSTJZSA-N 449.515 0.724 30 20 ICED N#Cc1cn(CCNC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c(=O)nc1O 1470361641 VORQTOGNCXWVHN-UHFFFAOYSA-N 437.313 0.989 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1532529295 LMDBBLXSOFWDFE-UHFFFAOYSA-N 435.502 0.935 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1545776752 KSPLNSHQJHXLKN-HUUCEWRRSA-N 444.517 0.358 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)C1 1620347373 STEZHIITKHXCAC-FZKQIMNGSA-N 436.469 0.645 30 20 ICED N#CCCN1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1644201362 XEZCUCRBLLJUAT-UHFFFAOYSA-N 449.577 0.802 30 20 ICED CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1660518722 XMCMRPQLYGLIBL-KRWDZBQOSA-N 439.607 0.861 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708278629 IRQAZIMRUABNAG-QRWLVFNGSA-N 431.518 0.837 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1729599622 QTYDTUQAAKSHOD-YADHBBJMSA-N 439.520 0.497 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1729743370 WDEGRNSABBAZGQ-INIZCTEOSA-N 447.565 0.523 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 1741056384 JFHAKJDKAUKWBZ-UHFFFAOYSA-N 441.561 0.550 30 20 ICED Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1748010337 QSPRCNHVIXCNNS-GOSISDBHSA-N 433.538 0.748 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cc(C#N)c[nH]3)CCO4)ccc21 1777866192 IGXLYBMXGIPIEN-HSZRJFAPSA-N 448.483 0.834 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594225 IHQOSDKBPGZGKV-MKNUTXPLSA-N 442.476 0.702 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019599 RMYVTRAJUUPAEG-YQNSVDCASA-N 427.505 0.701 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1CCN(C)CC1 1779066322 QIKNOLGUKHNJPF-HYBUGGRVSA-N 446.592 0.151 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697738 VUBOATYPWCTVMU-HJPURHCSSA-N 448.483 0.610 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1783136205 STPJGBHSAUXJPF-DSXMGRQXSA-N 442.516 0.174 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)CCO2 1783565464 NBHZXNTYPLNWBT-HXUWFJFHSA-N 430.848 0.677 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783758771 CFQNQLMNMIMHSR-QHCPKHFHSA-N 440.500 0.779 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)ccc1Br 1783867600 JHQQNCMKHJMLEU-WHOFXGATSA-N 438.278 0.225 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1783906660 RLMKMYGVYITBJW-OAQYLSRUSA-N 430.530 0.525 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783932471 YYSSMYCVYGLQPQ-FGZHOGPDSA-N 445.472 0.383 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)c1 1784953660 SQYMCOXKYCFMIS-SZMVWBNQSA-N 439.472 0.012 30 20 ICED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)CC1 1785379281 UEBIOQPJGXQOSI-QHCPKHFHSA-N 441.532 0.014 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c1Cl 1789763103 YOVOJQNBSXTNDD-IAVJCBSLSA-N 432.908 0.528 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791264022 XHRDXMBKPUYBOZ-YXMSTPNBSA-N 445.582 0.560 30 20 ICED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)c1ccc(O)cc1 1791336281 SYIKRBDDAICNTQ-UMGGQSCQSA-N 441.532 0.352 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCOCCOCCOC)C3)C1 1792442429 ACVJTIHIGHKRJM-CEQLMSFQSA-N 440.537 0.238 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2CS(C)(=O)=O)C1 1794403169 LFCASKWDFCCCEF-HGKCTWBKSA-N 433.530 0.796 30 20 ICED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C3)c(C(F)(F)F)n1 1796459671 CVQPEQITYKVPDW-RGHULWKBSA-N 437.422 0.947 30 20 ICED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1796464098 SZLYJJILCDRUTC-CEQLMSFQSA-N 426.517 0.853 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cn2ncccc2n1 1797040849 XRHLIQGYVTXRMJ-PDJFEZEYSA-N 442.476 0.462 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797867538 LREFPGBUXUOLDD-JNIAIEOXSA-N 441.532 0.953 30 20 ICED O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1800194765 YWEWQTGOTXOFBG-FAQVEIGNSA-N 440.887 0.538 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2noc(C)n2)[C@@H]1c1cccnc1 1802478794 VJUZXAUGSPAWKS-MIPIJZKVSA-N 438.488 0.880 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1803556764 MVIKEXSVBUQCMB-LAUBAEHRSA-N 443.504 0.622 30 20 ICED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804095000 NXOIAOYYAYKLEW-LAUBAEHRSA-N 425.489 0.833 30 20 ICED N#CCCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738723 VSQAGQZKEPPBAW-LIRRHRJNSA-N 442.501 0.856 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811540271 DBPKHPHNKZRIRZ-IHPCNDPISA-N 438.488 0.752 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812526563 HGMNHJVWTYZIJF-ZHALLVOQSA-N 429.521 0.963 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812877490 MGNBXPJTDJYIQB-QRWLVFNGSA-N 436.424 0.671 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1819713967 FKPSCOKOQFRYEM-BJJXKVORSA-N 438.550 0.779 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819899403 VGPVIWPRXFEKRN-OICWLDQGSA-N 435.506 0.863 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)no1 1822201776 TUNQOVFCTIDNQH-CQSZACIVSA-N 428.405 0.216 30 20 ICED CC(=O)Nc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)ccn1 1825668011 XJMACSOSKNMQDE-LBPRGKRZSA-N 427.442 0.810 30 20 ICED CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826941092 MKLLTCYDLKMVMM-ZWKOTPCHSA-N 435.569 0.951 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NNc3ccccc3)CCO2)C1 1829802977 BLJVMJOVFFAFRX-PWHSHALESA-N 444.532 0.486 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)c1 1830592380 OGCYGVQLSYLCKU-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c(O)n1 1830861578 JNFMQEQCVMZSPH-XXBNENTESA-N 447.532 0.993 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1830953421 DYDRTBFBSGYCCD-NRFANRHFSA-N 426.477 0.241 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831491167 YIUWGURYQYRMJC-OXQOHEQNSA-N 433.534 0.754 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)nc2s1 1832109707 ACOMYYJYYDADSV-KZULUSFZSA-N 439.563 0.416 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168565 AVYWOCXSLRRLAM-QHCPKHFHSA-N 435.484 0.855 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)CC1 1833465255 TUOZXOJEOHCZSU-IFXJQAMLSA-N 433.471 0.910 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833814018 URWLYNKYAKZLCR-HLQTZPMBSA-N 430.509 0.327 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1834763688 RDWNFZYVKYYFKQ-QFIPXVFZSA-N 436.472 0.554 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)c1ccc(F)cc1 1834766069 VCDGQXXWCUZDJO-CTNGQTDRSA-N 432.452 0.373 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)Cn5cccn5)CCO4)C3)c2c1 1836171150 KGUYWGBEFADDNV-QFIPXVFZSA-N 449.471 0.401 30 20 ICED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836322086 ZJMOACKEJFCWMS-GOSISDBHSA-N 440.378 0.631 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868784 DXHBOJOQYLYLJC-HXUWFJFHSA-N 431.518 0.719 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836966576 DYCXAADWSFSLKK-FXAWDEMLSA-N 438.550 0.690 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147107 JQQNJBILIXKEBO-QFIPXVFZSA-N 426.473 0.550 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837150593 QKMHWUKDGJVDNX-JOCHJYFZSA-N 445.541 0.919 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1837396055 ATNHINUCXHSSDB-UTKZUKDTSA-N 437.493 0.464 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1837399217 OIEBPTDHTRFSEE-BSRJHKFKSA-N 446.548 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(CC)s1)CCO2 1837717725 AFEZJYZXENDEDI-RMUOZIPVSA-N 448.545 0.634 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)CC3)CC2)CC1 1837791009 XGYTZUVSORCYME-UHFFFAOYSA-N 439.476 0.334 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837816693 UCTQCHNFDKVOSN-NRFANRHFSA-N 431.493 0.139 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838095458 GPRIGEAZJAFGOG-PFDQHCLKSA-N 427.461 0.567 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1838314662 ZNNXUTLXNJOLDM-HXUWFJFHSA-N 430.848 0.845 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951311 KDGCKTUCPJTVMA-JTSKRJEESA-N 438.488 0.556 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839158861 LJCOJFQISBZEFF-VGOFRKELSA-N 428.489 0.082 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1839174040 BTCWEUFRNZXPTE-PGRDOPGGSA-N 448.520 0.485 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)c3)C2)C1 1839175018 JLMLNERJZXZXEW-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1839225373 HZEAKJCVCMNWAJ-QVKFZJNVSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839226023 BMOLKWYZZRGSNJ-IFXJQAMLSA-N 437.453 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ccoc4cn3)CCO2)C1 1839483914 WTNIRAMVMTVGDT-OPAMFIHVSA-N 427.457 0.936 30 20 ICED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1839831103 BBVPLNNZTOIQGH-QFIPXVFZSA-N 429.473 0.545 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840019571 REAKEKMQHZJITA-VGSWGCGISA-N 444.488 0.671 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccccc12 1840042862 RBLKNZYZCLJSRF-QHCPKHFHSA-N 437.452 0.701 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4ccccc4O3)CCO2)C1 1840135308 OLWQYFMWYSUOQB-UTSGNWPNSA-N 442.512 0.875 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299168 FZYMRCZAXVFQQN-FCNSZNEASA-N 430.527 0.047 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1CCS(=O)(=O)C1 18588012 YRYXONREANISEE-LSDHHAIUSA-N 437.518 0.763 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 22816323 CQAOUVMZUSVFIM-CYBMUJFWSA-N 445.501 0.642 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 409543819 IIMFEBIHIJUDNT-UHFFFAOYSA-N 430.552 0.408 30 20 ICED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c(OC)c1OC 410149927 YELHFEFPDYGZBA-AWEZNQCLSA-N 440.522 0.806 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1C 440374184 KRMIZHYBANEVAL-INIZCTEOSA-N 430.490 0.579 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cc2)c1=O 442206774 JYLWRWFTKPHNHE-UHFFFAOYSA-N 443.427 0.660 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 443665387 HSZNMJFZEXOKAV-UHFFFAOYSA-N 430.511 0.963 30 20 ICED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447447396 CXNRHBCRQUUMAZ-GJZGRUSLSA-N 445.451 0.694 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460614214 LHXYFVRYXMHQKW-HNNXBMFYSA-N 438.492 0.136 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N 461199351 TWODBRFFRZSZFD-KBPBESRZSA-N 437.547 0.007 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 465057026 CEPGMLDOPNPXHF-DJIMGWMZSA-N 447.517 0.597 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 465461557 VVFXBWZXVJNOQU-LBPRGKRZSA-N 435.400 0.590 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 482808332 CNVNJWXMTGUERX-BJJXKVORSA-N 428.536 0.059 30 20 ICED CN1CCC[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC[C@H]21 483482904 DBAWBHBRPNGZQI-VQTJNVASSA-N 445.589 0.807 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2=O)cc1 487169435 UUHVYYKFMJUVQP-HXUWFJFHSA-N 438.532 0.609 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 491261129 XHLXFQRBCASCRL-UHFFFAOYSA-N 439.310 0.843 30 20 ICED CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 494553514 OOVNENUMGVOIGL-UHFFFAOYSA-N 433.490 0.065 30 20 ICED COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 498800236 MIKFQPKWMGIWHA-VIFPVBQESA-N 426.223 0.934 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(C(N)=O)c3)CC2)cc1 502150539 KGTLEBJHDICILA-UHFFFAOYSA-N 427.486 0.873 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 502487885 NNVPHKWDTMCSRZ-UHFFFAOYSA-N 425.510 0.759 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2=O)cc1 504418264 HXRHACMDIMCLBU-KRWDZBQOSA-N 446.489 0.460 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)cc1 511881359 HVYWDNMGAXFJOR-UHFFFAOYSA-N 446.533 0.962 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 516898305 PPIRZTCAHALXSO-HNNXBMFYSA-N 429.520 0.125 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 524282902 RQABRKUXNJJUHE-UHFFFAOYSA-N 433.873 0.505 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccncc3)c2)c(=O)n1CC(N)=O 524749269 GLUNBUBDBLXGEL-UHFFFAOYSA-N 445.504 0.262 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 531142832 ILSLZQUZGXBNGP-HXUWFJFHSA-N 440.610 0.883 30 20 ICED COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 540983088 RRWXKVMAJDXOAL-LBPRGKRZSA-N 426.408 0.950 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(N)=O)C1 549639705 YLEJALAOMYZFIS-INIZCTEOSA-N 434.522 0.462 30 20 ICED CN(CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)S(=O)(=O)c1ccc(C#N)cc1 552609821 UAEAAIYLBXTPPK-MRXNPFEDSA-N 428.536 0.061 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 555041641 IKGYUPDPTAXBTO-OAHLLOKOSA-N 426.470 0.535 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 568320558 BZCNKMVMRMNDBN-INIZCTEOSA-N 443.895 0.830 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 586851324 NUMHGDHRMIOQRE-UHFFFAOYSA-N 446.939 0.209 30 20 ICED CC(C)(CO)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 610481239 SWONLMAJQOZMJF-UHFFFAOYSA-N 442.520 0.843 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 726887412 GGOIYPZPCWWBKE-ZDUSSCGKSA-N 443.551 0.487 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 728533095 ADBFTWWVZWEORD-BZSNNMDCSA-N 448.589 0.177 30 20 ICED COc1ccc(C=O)c(OCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 734634356 PTBNBPIEOFHRNQ-UHFFFAOYSA-N 442.428 0.947 30 20 ICED C#CCN1CCN(C(=O)CON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 749874987 SKDDWYJMSPAZRO-UHFFFAOYSA-N 432.546 0.930 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 757900357 ZDFVWWCLVXKAAX-CYBMUJFWSA-N 444.535 0.728 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)Cc1ccccc1 765099966 NMXZCOZJFWZFIX-HNNXBMFYSA-N 435.527 0.956 30 20 ICED CCOc1cc(NC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)ncn1 768335179 ATQDALXQFREVIQ-VHEBQXMUSA-N 429.481 0.988 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C(=O)OC)nc2)c1 769627039 YYXXZUIDSUAXHJ-UHFFFAOYSA-N 443.481 0.904 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 776592471 GPHVYBDCFSXXMU-UHFFFAOYSA-N 448.589 0.559 30 20 ICED C[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1O)/N=C1/NS(=O)(=O)c2ccccc21 777444623 PPMJBMWDWSJOSF-JTQLQIEISA-N 438.487 0.495 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1 785003213 BTOVXXQBEIPKHE-VERWNPAXSA-N 449.533 0.598 30 20 ICED C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785063561 XZVTYNJIACXVGK-XTZNKOAQSA-N 428.536 0.321 30 20 ICED COC[C@@H](C#N)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 785074580 GGKHCEKMRULLNA-CQSZACIVSA-N 436.490 0.609 30 20 ICED COc1cccc(C[C@H](O)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 785709911 CSIYIYNVHVJNLO-SFHVURJKSA-N 428.445 0.659 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc(Br)c(Cl)s2)c(=O)n1CC(N)=O 790430133 SYKPBHBGXRXDMG-UHFFFAOYSA-N 429.708 0.899 30 20 ICED CC1(C)OCC(CO)(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CO1 791240597 XUGRKRKYFSJRLI-UHFFFAOYSA-N 439.534 0.916 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1=O 799177925 YMBOLIIBYUPCQG-VGSWGCGISA-N 427.505 0.680 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 800109093 PCXBWIIQQJMOCI-UHFFFAOYSA-N 442.538 0.941 30 20 ICED C=CCOc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 805753509 PMXMEXHEJWDRPU-CYBMUJFWSA-N 426.447 0.430 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807783980 YYTGZHCTXNRYSI-UHFFFAOYSA-N 432.424 0.947 30 20 ICED C#CCNc1nc(NC[C@H]2CCCN(C(N)=O)C2)nc(NC[C@H]2CCCN(C(N)=O)C2)n1 808083035 OYYPIOFKQATWKO-HUUCEWRRSA-N 444.544 0.322 30 20 ICED O=C(NCCS(=O)(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)[C@H](F)C(F)(F)F 810183285 UDFWMHNIRSUAPG-JGVFFNPUSA-N 449.320 0.377 30 20 ICED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O[C@H](C)C(=O)N(C)CCC#N 811678943 JLXWCYXWMRRCDN-UONOGXRCSA-N 438.506 0.359 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 823649237 IDUNALSTGYUYEN-UHFFFAOYSA-N 428.536 0.046 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCS(=O)(=O)C3CCCC3)CC2)o1 919334748 WMMOWQFNWWXUHY-UHFFFAOYSA-N 438.506 0.794 30 20 ICED CCCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 919800333 IYLAPGWRQYJMSR-PYCFMQQDSA-N 435.550 0.992 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1288526818 YTBJWWXPHNIXEA-GOEBONIOSA-N 426.543 0.776 30 20 ICED CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)N[C@H]1C 1318156852 LTHHJKAIUWFNBU-JSGCOSHPSA-N 426.429 0.973 30 20 ICED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 1464963039 LTSIYFHTQLKZIJ-CQSZACIVSA-N 427.324 0.979 30 20 ICED CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1502287848 MAEWICZEFASXPG-BBWFWOEESA-N 439.586 0.691 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1509948132 NELMSALISCZDGQ-MGPUTAFESA-N 443.533 0.805 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1518647768 YCYFTZUZDMWWNY-UHFFFAOYSA-N 425.493 0.590 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)cc1 1555988612 IWUPLTCPOZPXEW-KRWDZBQOSA-N 443.533 0.554 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCOCC2)CCO1 1620356633 DTSVMULFKGXFAT-GOSISDBHSA-N 440.504 0.910 30 20 ICED COCC(COC)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1634108268 KLZLENIWZVUITN-NVXWUHKLSA-N 425.530 0.734 30 20 ICED CCS(=O)(=O)C1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640661141 NIUAPBCLUGVZDQ-OAHLLOKOSA-N 427.548 0.785 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1698058682 LWNLWAJFOPTOBR-UHFFFAOYSA-N 438.554 0.705 30 20 ICED Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1751441969 NRVZRISJWWYBET-KRWDZBQOSA-N 425.493 0.884 30 20 ICED CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1769113444 OXJXAFKYDHBIRD-UHFFFAOYSA-N 425.493 0.779 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892780 LBOIHRSMXNCWNG-TZVKMXPSSA-N 431.367 0.634 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779065091 MTYLDSMXLXNIIQ-QHCPKHFHSA-N 437.500 0.871 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1779190347 DUDOGORSWMXMAP-XARGGIHNSA-N 425.529 0.736 30 20 ICED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)C(=O)O 1781298515 KAHJXGZBUYTFBX-DYESRHJHSA-N 432.452 0.132 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1781309159 SMECBAIYGZWRAT-FGZHOGPDSA-N 448.520 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1783530835 LINJHQMAHMTICH-HHHCWWNTSA-N 438.488 0.181 30 20 ICED COc1ccc(C(=O)CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783561385 OTFVMXBEPNCYSG-JOCHJYFZSA-N 428.441 0.576 30 20 ICED COc1ccc(-c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)no2)cc1 1783561851 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ICED O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CN1 1792576536 XUOCUZLMNQMKEB-PZTGFMGMSA-N 429.904 0.807 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1797647533 HRPUYDMZZHKLPG-KRXQYRFLSA-N 426.477 0.389 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655188 FHDOVLKDGZODER-JJLQDPRZSA-N 436.383 0.191 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797776377 NKPCJDZBJORRSC-DQCGCICISA-N 429.525 0.338 30 20 ICED CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1797808964 UAGNVBRCVZSSQN-FLBUZXSBSA-N 433.465 0.345 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)nc1OC 1798244270 XHCITIMDDJUKIB-XJPXHFRYSA-N 428.489 0.460 30 20 ICED CCOC(=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 1798496105 RUBGHITUNLQSFV-PRSJSIJSSA-N 426.470 0.218 30 20 ICED CC1=NN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cc2)C(=O)C1 1798980499 AFIJESCQIQDIQI-VPTLXERWSA-N 438.440 0.090 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)CC2 1800779008 KBHDMRIIJQVIMF-FSTVOOFJSA-N 426.469 0.478 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1804175448 JPKBJZPQQGUEFJ-IIBYNOLFSA-N 428.514 0.932 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807189337 APQBWYSOFSBIQH-YICACOGFSA-N 443.552 0.152 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810252197 HKIJMTKRPXRRLZ-XGHQBKJUSA-N 440.500 0.586 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1810337895 PFDNBDFLYVTZIW-QYZOEREBSA-N 442.472 0.886 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812529595 AQPXDYMZGAGHPR-LNLFQRSKSA-N 430.505 0.996 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@H]2c2cccnc2)CN1 1812639303 IWPBEAYRMRDGBW-LLGJZVMBSA-N 443.504 0.753 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813223853 VGVDZFQBFQCMGW-ZWOKBUDYSA-N 425.489 0.879 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814404422 FLRKVJHQBSAPKV-OICWLDQGSA-N 435.506 0.863 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815770983 MMUTUIZZHIBEQK-KGLIPLIRSA-N 446.464 0.509 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668633 NBTSIGKTRZFFOH-OQPBUACISA-N 448.534 0.449 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(C)(=O)=O)CC2 1822922266 FXQIEFQLZHRWGG-NSHDSACASA-N 429.520 0.609 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996183 CXCNCRHCISCVAC-QUCXKQBISA-N 431.537 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3C)C2)C1 1829764872 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838309023 ZQJXMXNELSXRTG-YWZLYKJASA-N 440.928 0.717 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)c1 1838580563 KHMMZABQUCGLQN-JOCHJYFZSA-N 437.456 0.741 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1Cl 1838597863 AIFCMYJARJRVMZ-YCRPNKLZSA-N 446.891 0.418 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn5cncc5c4)C3)C2)c1 1838737524 XEYBJTBSCLDJIK-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)c(OC)c3)CCO2)C1 1838929723 GFWSNVBEADNMAD-GAJHUEQPSA-N 446.500 0.812 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1838953474 ZGKMXVHFCDEOAQ-FQEVSTJZSA-N 433.486 0.446 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361300 BGKQJSASDFUJDN-HSZRJFAPSA-N 442.516 0.737 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1839419611 LJPHBAKRULJFME-JOCHJYFZSA-N 440.431 0.715 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1839451231 GWZQZGLDPQUBMP-JOCHJYFZSA-N 437.456 0.746 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1 1839479787 VLCOQPLEALCDJI-IERDGZPVSA-N 445.545 0.964 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cc5cc[nH]n5)C4)C3)c2c1 1839488820 HDJWYWXQZJTDCD-JOCHJYFZSA-N 449.471 0.470 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839847018 POOQHXIRSOIVBL-IFXJQAMLSA-N 441.575 0.515 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)c1ccc(O)cc1 1840221753 IVXZRSWNYQKEDR-NRYAXDJKSA-N 443.544 0.940 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840431618 MYYFWTFLPDKAQI-JONYFANXSA-N 443.504 0.688 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716651 PEMQCIFRIINPQR-OPAMFIHVSA-N 444.488 0.740 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840820640 BYTQFDQPDFACSK-QFIPXVFZSA-N 427.457 0.698 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1840843340 KZRAFDPGVAQCAA-GGAORHGYSA-N 445.491 0.873 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1841607009 NYHBHHHSPLUDKI-AOIWGVFYSA-N 429.517 0.960 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCN(C)CC2)C3)c(C#N)c1 1845138939 JQWUFTWPJHUVIZ-UHFFFAOYSA-N 425.533 0.560 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] 1847263948 SXGUNIACSQOJFT-VQGNRHNMSA-N 444.444 0.983 30 20 ICED CN1CCN(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 25936679 YVTDBJNUOSPHSE-UHFFFAOYSA-N 428.518 0.964 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)CC1 26271814 XQXOOFYQAGNUSS-UHFFFAOYSA-N 427.446 0.258 30 20 ICED COC(=O)CN(Cc1cccc(Br)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410401005 UOLHVJCIRNIRTK-AWEZNQCLSA-N 432.296 0.893 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1=O 439410445 NYZIDCCVOVJCHT-HNNXBMFYSA-N 440.522 0.871 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCc1ccccn1 440379925 NMKRFVZUOCYQJK-UHFFFAOYSA-N 438.509 0.715 30 20 ICED COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 446793723 QSNOUBRZUWNRNK-RDJZCZTQSA-N 425.507 0.365 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 447414854 WWUULFGOXRIWEB-INIZCTEOSA-N 433.476 0.905 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467296265 AZJZNVILEFWCKD-OAHLLOKOSA-N 432.550 0.613 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)cn1C 480424745 GXOWIHVCMWRWAD-UHFFFAOYSA-N 437.547 0.380 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 480531826 VQOZHVIRZFWZHM-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)cc1 480934108 WDGOLPFLMXARDB-UHFFFAOYSA-N 438.509 0.774 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 486726194 YRKKWLSPFKGTHT-WBVHZDCISA-N 431.424 0.758 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 486830297 YCFPAIABHFOIDF-CQSZACIVSA-N 442.501 0.068 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(C(F)F)cc2=O)CC1 487932599 RLFLUHTZVKMXGF-UHFFFAOYSA-N 437.428 0.586 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cnccn1 488915003 JPCXHGWVKRRFOM-JTQLQIEISA-N 428.478 0.264 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 502051867 NCZNWRMESZVNFH-UHFFFAOYSA-N 443.529 0.158 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 507538861 VBGAHBYTRPUXSH-CQSZACIVSA-N 432.506 0.379 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 508723192 VMDINKLRPXQITL-MRXNPFEDSA-N 431.518 0.585 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)c1 511514259 HMQZDJUSIFNVTQ-UHFFFAOYSA-N 448.483 0.713 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 555264959 ZEIDFUBOXPKFJG-OAHLLOKOSA-N 433.538 0.882 30 20 ICED Cn1cc(C[C@@H](CO)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 556808768 KYAKQLMCPAOGTG-GOSISDBHSA-N 445.545 0.660 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 561785852 FRCCARZVUDRSPX-INIZCTEOSA-N 444.511 0.190 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C2CC2)c1=O 568845778 PBJYAOWRUJTSEK-AWEZNQCLSA-N 445.545 0.132 30 20 ICED Cn1cnnc1C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 576902594 PNFMIIFABPUAKC-GOSISDBHSA-N 435.488 0.310 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 579285693 YXHJVQYFJSJOGG-UHFFFAOYSA-N 449.439 0.771 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 604270410 YFKFQPGBCZISJV-UHFFFAOYSA-N 432.933 0.681 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 609150448 LREVZBYFVYIOCR-UHFFFAOYSA-N 435.550 0.688 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 613103090 ZJUUSYCSHSGHOE-SFHVURJKSA-N 436.520 0.624 30 20 ICED COCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC1 619859990 VRYBANKBVKNFMW-KRWDZBQOSA-N 446.533 0.844 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 728466525 MRMFBPPDUQMAGI-XBYUIDQRSA-N 449.533 0.565 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc1 730891474 UETNSTMPRIGQOB-UHFFFAOYSA-N 432.433 0.782 30 20 ICED Cc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 731094375 HYLJUCNGCKAJRZ-UHFFFAOYSA-N 428.470 0.952 30 20 ICED NC(=O)CNC(=S)NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 731927898 BVADQFRFSIICSS-UHFFFAOYSA-N 438.267 0.032 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742506292 NMOVJAGTZOSNPK-OAHLLOKOSA-N 433.534 0.864 30 20 ICED C[C@H](CC(=O)NC1CCN(CC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655837 DTWQQHWOWSBRAZ-CQSZACIVSA-N 435.550 0.173 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(C)C)c2=O)cn1 743729026 VFBLEXORBMKJHB-UHFFFAOYSA-N 443.573 0.971 30 20 ICED COCCN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 754278283 AKDICOPZMBWLDE-IBGZPJMESA-N 439.534 0.536 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 754931453 ZGYYLIGXBWIDRD-UHFFFAOYSA-N 441.473 0.029 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 758472654 JACFBIKOONBLRC-CABCVRRESA-N 429.543 0.764 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)c(C)o1 767958492 JNBRJWUGTVBWDC-UHFFFAOYSA-N 448.504 0.989 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 770181182 SLHIZDCCQCMTBG-HNNXBMFYSA-N 441.469 0.504 30 20 ICED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)[C@@H]1CCCO1 774852213 CTJSYZMJQAKRKG-FHWLQOOXSA-N 445.516 0.490 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 774858513 HNJFELHDVCMUKN-IBGZPJMESA-N 440.479 0.810 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778821606 GERGRPNMWFOUOE-SUMWQHHRSA-N 431.474 0.697 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 780065200 DHXXLHQTBYLXAW-STQMWFEESA-N 437.499 0.928 30 20 ICED CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 799998177 YMKUKEYGWIJPRX-SFHVURJKSA-N 437.522 0.253 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N=c3cc[nH]cc3C#N)ccc2F)CC1 800883556 BLFLMDAENFZRPV-UHFFFAOYSA-N 431.449 0.619 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 803415428 RKBUEXBLJOREOZ-HNNXBMFYSA-N 427.548 0.342 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1 808581493 XAOJSGDRCOQPQU-ARFHVFGLSA-N 434.290 0.968 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CCOC2=O)cc1 809425969 BNJRWXIUPCZXAK-UHFFFAOYSA-N 425.449 0.528 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 815860565 QYTBSTGRJLRQLS-UHFFFAOYSA-N 436.534 0.026 30 20 ICED CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1314000001 UJQNSFYDOFZSPE-UHFFFAOYSA-N 440.508 0.668 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1611767397 MAANXAAJHPDCOD-IIDMSEBBSA-N 441.579 0.745 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)C1 1706933436 FBSQITNRUQMZKO-VQIMIIECSA-N 448.553 0.707 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712886474 UJQDWQVJPUKJGR-INIZCTEOSA-N 440.439 0.878 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1745801460 LQXFANDGMQMGJZ-OAHLLOKOSA-N 425.493 0.922 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760374151 JCNNQBRHJNQTJB-OLZOCXBDSA-N 446.917 0.004 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1767215236 KYLHYALGOIYGEX-UHFFFAOYSA-N 448.535 0.735 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)CCOC1 1767485811 XTYQRMXQUODSJR-LPHOPBHVSA-N 439.538 0.484 30 20 ICED COCCN1C[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1771125173 TYIFQLRGQYVLFJ-MGPUTAFESA-N 433.488 0.451 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)[C@@H]1SC(=N)NC1=O 1778085072 ZNTXXHOHSCTDET-VKQVCWQJSA-N 447.561 0.997 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778595106 VSWSGKRDTWXGIL-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779101160 HZNIKNMVEBFSNO-QHRIJPBDSA-N 442.476 0.702 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)c1ccccc1 1779184917 XZJOMYCFAPRMKU-ROKPMTFOSA-N 440.544 0.606 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779553264 CNTFOIUMUNPFOB-KCXPTXFHSA-N 439.553 0.225 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780215311 AGTHMWHMZUPEFD-DYESRHJHSA-N 433.509 0.576 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C#N)c1 1781175249 GREYQRQJMXBYTO-JOCHJYFZSA-N 438.488 0.621 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1781310786 UANOKJSFBPKENB-GCJKJVERSA-N 430.505 0.646 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)O)C1 1781995718 VCOPJERWXXEUCM-MPWIWIEXSA-N 437.537 0.798 30 20 ICED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)c(=O)nc1O 1783111947 OUPQAXRUOCCCEP-VGOFRKELSA-N 428.489 0.185 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558617 SLGSDHMEOKKVHN-QFIPXVFZSA-N 428.441 0.324 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)c1 1783631325 PFGHONIIPKPGOO-YEWFCNIMSA-N 428.464 0.817 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1784432408 BWYQGROGBYBWLO-UVBQOVKKSA-N 426.469 0.866 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519223 FKGIJFGXGUOYPH-OHFALNGGSA-N 431.493 0.575 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1785572057 IQMXRYNXRJRDNQ-AOMKIAJQSA-N 433.505 0.712 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C[C@@H]32)o1 1787031383 MMRSCHIVYIOACU-ZVZYQTTQSA-N 449.471 0.962 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)N1CCN(C)CC1 1789798144 NCIUOFXNXHWOOL-CAIZAGQASA-N 428.537 0.116 30 20 ICED COc1ccc2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c[nH]c2c1 1791073235 UNQKOCJKKHWKBC-DCPHZVHLSA-N 439.468 0.787 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)n1cnnn1 1791684922 GFOMGGUUKIGXDH-CBVHJVASSA-N 442.907 0.919 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)cn2[nH]cnc(=O)c12 1792140883 IMHUBQSCCNRFEG-XIRDDKMYSA-N 438.488 0.618 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)c(CC)nn1C)C2 1792484125 ADGPUPRPJBIBIZ-LEDMXFKVSA-N 449.939 0.698 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1794206871 BIYVLCYILPRZGA-HUUJSLGLSA-N 428.533 0.807 30 20 ICED 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432.521 0.562 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831990708 QNCGATWAADKFEQ-KSFYIVLOSA-N 440.537 0.748 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832340307 JKOJVLIQIJHGIA-PGRDOPGGSA-N 436.553 0.684 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1832454348 JASNQCNGOYPRLU-GOSISDBHSA-N 439.494 0.167 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832521450 BPKAKBDPDYJCRQ-YGRXKEQHSA-N 438.565 0.815 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833125191 PUKXIEKADYQUKC-QHCPKHFHSA-N 435.484 0.969 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1 1833468068 LKPVQSHCDZWLCP-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1833472399 VSWKQVZGJFFZIS-UHFFFAOYSA-N 431.537 0.938 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1833706693 KXPBVHBAIZJQMS-UHFFFAOYSA-N 446.577 0.680 30 20 ICED Cn1cncc1C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834244062 VWMHUDNTEGTZSF-UHFFFAOYSA-N 429.569 0.887 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834677490 CDLSEVDTFWNKPC-UHFFFAOYSA-N 429.500 0.366 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835626125 MVRKGWMARTZINE-YUTJSNEMSA-N 431.449 0.347 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1835674083 DYLFVNAVNFBCOU-JOCHJYFZSA-N 444.536 0.147 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1836859389 XTLPLSGDXRYQKC-ZWKOTPCHSA-N 431.537 0.951 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837045561 ZPDAANCYGUSPMU-QRWLVFNGSA-N 432.502 0.504 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837374735 IPXVLYJJNDBNRD-CLCXKQKWSA-N 430.571 0.105 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1837393441 RLCNKRAVKYENNB-AUSIDOKSSA-N 431.533 0.962 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1837400859 QAPJCWHQHGPQEO-IIBYNOLFSA-N 436.509 0.072 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1839472103 BYRKDYFVRWNSEB-QHCPKHFHSA-N 441.484 0.834 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810548 CWURFESONCNCGP-VGOFRKELSA-N 435.521 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(F)cc3F)C2)C1 1840039967 KWDWTAYAJPGPGJ-XAFBZQIESA-N 434.395 0.522 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)C1 1840042741 MXCNZYAMWUDWLC-NRFANRHFSA-N 446.887 0.916 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840141640 NAHPJKBRCCTFHQ-YVHKJVDXSA-N 431.489 0.502 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840159881 PVEMDNBZIXJPCU-YWZLYKJASA-N 431.518 0.656 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840588520 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DJXJXZGKEJZBMK-MRXNPFEDSA-N 425.470 0.904 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)n1 474263577 DMFXIDUGNQZCNL-SFHVURJKSA-N 438.488 0.923 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCOC1 479369297 ZYZWHGAASJXSAH-CQSZACIVSA-N 426.498 0.155 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 483046897 XZXDFNVTFUJYHT-QUCCMNQESA-N 427.549 0.385 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483091792 HJOJIAAVTBTMTK-CQSZACIVSA-N 427.548 0.850 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1cccnc1 505637969 NLPVGNWAOYEPIR-UHFFFAOYSA-N 436.541 0.619 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512768390 ARGXMSIVASYKOV-UHFFFAOYSA-N 427.484 0.964 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 514913548 XCQHSVUIOTTXOY-UHFFFAOYSA-N 431.470 0.198 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 515825607 VIFDUNZVKXONDC-UHFFFAOYSA-N 430.534 0.493 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)cc1 517849794 RAGJBUZNOVHQBO-UHFFFAOYSA-N 441.532 0.766 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C 519945513 ZQGWUJABSNLSRU-UHFFFAOYSA-N 438.412 0.984 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 535704696 IUOGZBPKLWLZDO-HNNXBMFYSA-N 427.486 0.605 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542072438 HFWWHSCOSBYACC-GFCCVEGCSA-N 430.852 0.387 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 542599546 FTJHXIYRPMULLG-UHFFFAOYSA-N 443.504 0.287 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 552927993 MSHWLKARNPRLKE-HXUWFJFHSA-N 441.532 0.392 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H](C)S1(=O)=O 575373380 OJGFXOSOZMGQNI-VXGBXAGGSA-N 435.893 1.370 30 20 ICED CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCOCC1 579533992 RWBPQMKXZYCDPR-INIZCTEOSA-N 425.493 0.941 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 588851199 CWRJSJFQLCKPST-QVKFZJNVSA-N 429.477 0.527 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 590284961 PCYMVQDXEUZZTK-UHFFFAOYSA-N 443.467 0.846 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)c(F)c1 609471008 ZSTLRFWJTQCYSB-INIZCTEOSA-N 441.471 0.207 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)CC1 618840729 KMHCVPDNVRWBNW-LJQANCHMSA-N 432.550 0.365 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 728531473 KFWMJCDICBUDJR-UHFFFAOYSA-N 426.517 0.929 30 20 ICED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 731237449 IAZFFILHXZRFBP-UHFFFAOYSA-N 437.474 0.432 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 732495350 XKBSOUFKJBVPHQ-PZJWPPBQSA-N 448.479 0.971 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 733148735 JZRKCKCQHYDMOC-MOPGFXCFSA-N 446.548 0.252 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 735068647 FNNJNICCRMCDLJ-UHFFFAOYSA-N 431.489 0.366 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)CC1 749872733 AXHHZOKJFDWIPN-UHFFFAOYSA-N 430.534 0.626 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc2n(C)c1=O 757591438 UEZHXPGBSRLJKV-RISCZKNCSA-N 428.449 0.121 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 758552303 YVIGPBKYASSYGX-BSGIZYOKSA-N 434.497 0.765 30 20 ICED COC(=O)Cn1cc([C@H](C)OC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 770708638 WFYURPDSELPZQZ-NEPJUHHUSA-N 435.462 0.573 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1)[C@H]1CCS(=O)(=O)C1 783479671 MOLKKVVNAAYFQC-INIZCTEOSA-N 441.531 0.426 30 20 ICED CCOC(=O)CN(C)C(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 783903074 NFDKKDJYQBVCCH-LBPRGKRZSA-N 425.463 0.068 30 20 ICED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785080559 FKQBYFUZPDDDHW-VKQKCINQSA-N 449.533 0.565 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@]4(CN5CCC4CC5)OC3=O)CC2)cc1 790365310 FRYOOOURRKXZQH-NRFANRHFSA-N 445.545 0.739 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800034436 UJZHYCAFUUZXKS-HNNXBMFYSA-N 431.559 0.820 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)nc1 803135445 QPFOFEDJTUGFBG-SFHVURJKSA-N 436.472 0.915 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccncc1 805812396 VOUDJLZSOVNCFW-QGZVFWFLSA-N 446.533 0.390 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 806917317 JBYFHOACIWOUBP-UHFFFAOYSA-N 428.514 0.906 30 20 ICED CCOC(=O)N1CCC(NC(=O)CCCN/C(=N/C)NCCN2CCOCC2)CC1 849069668 BOLMGHLNNGAYGT-UHFFFAOYSA-N 426.562 0.001 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)ccc1F 914468797 OVIHDYSBSYPETH-CQSZACIVSA-N 438.525 0.715 30 20 ICED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408317 LHYCQYLHXPCSBY-WMLDXEAASA-N 440.547 0.020 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCN(c2ncccn2)CC1 1115908712 GOOBTPSOSBJWAP-WMZOPIPTSA-N 448.483 0.982 30 20 ICED Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1304267232 NYGOYFRUGALHRQ-SFHVURJKSA-N 437.504 0.868 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCOCC1 1306194705 PSOOJYZZAYHGOT-UHFFFAOYSA-N 427.557 0.803 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCS4)CC2)cn1C 1318681899 WSIQQWMPIFRQCL-UHFFFAOYSA-N 435.535 0.942 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1510113216 RAXNYOGREGRTEH-PKOBYXMFSA-N 444.584 0.561 30 20 ICED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1519899875 PJOFCRMKCCFTAE-KGLIPLIRSA-N 444.583 0.529 30 20 ICED C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541958081 YSFYEAYYGVZNTI-MDYRTPRTSA-N 431.518 0.817 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1=O 1695866089 QSQULHFWZDEKPV-UHFFFAOYSA-N 446.533 0.832 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1C 1707551727 PNNDVCDERLQEFG-QGZVFWFLSA-N 434.522 0.752 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709437302 JHXNVQHNLZWQRV-OGWOLHLISA-N 439.586 0.616 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1731191120 ZCLDXXRPHZMTGU-CVEARBPZSA-N 432.506 0.401 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)[C@@H]1SC(=N)NC1=O 1778085054 ZNTXXHOHSCTDET-TYTKBFJVSA-N 447.561 0.997 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1778097029 LKEPTZGZSHOAPL-VURNCLMJSA-N 444.517 0.688 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779019409 OVJNCGCEFHQTJA-MATLFWENSA-N 445.564 0.689 30 20 ICED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1C 1780433049 IPDQHGRRMKUDHY-QFIPXVFZSA-N 430.505 0.571 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1781269545 ZDESPONOSUIPME-NRFANRHFSA-N 427.461 0.682 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1781397361 XRTMYOJYFQHKFS-KKSFZXQISA-N 428.493 0.903 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493315 WTYWYVSSHNIMAF-GCKMJXCFSA-N 432.477 0.113 30 20 ICED COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1782072815 WKPHYLUTJMJFAW-WIYYLYMNSA-N 441.525 0.110 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)C2)C1 1782562190 SSAKGHJRJZNUQL-KRWDZBQOSA-N 436.241 0.708 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3F)C2)C1 1783351771 BCTUGOKKHZEVRZ-KOIKXXGWSA-N 431.464 0.893 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]34CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C4)C2)C1 1783475910 ZUFDPWILWLOXNX-NLSFWIRASA-N 447.532 0.866 30 20 ICED N=C(N)SCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786778895 XBZMPEDYOWSLPX-COYGRFFBSA-N 427.527 0.122 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3CC)[C@H]2C1 1787286140 HROLHWIZMHNVMT-SAWCTPMISA-N 429.521 0.663 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1787392439 CPPMWRLYIKRWRX-VGWMRTNUSA-N 438.525 0.401 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788673451 OCJAGQILYMNYOU-LNLFQRSKSA-N 430.505 0.886 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)C[C@H]1CO2 1789775718 YWNKTXOXMUMKHA-JUPXILGHSA-N 448.520 0.658 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102289 LNEDMEYJNKMETA-JONQDZQNSA-N 437.493 0.056 30 20 ICED Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791693884 LVJJQAAWXHHIAH-PPKZOYOQSA-N 426.473 0.900 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)c(O)n1 1795285177 UAQBCISNGXWICU-CSHUHZATSA-N 428.489 0.388 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795599204 YEMZKAAPMKMUFF-WXCWTQAASA-N 435.525 0.387 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)cn2[nH]cnc(=O)c12 1798467284 IDBKRZOYANGLRV-IZZQQSIFSA-N 446.467 0.720 30 20 ICED CC(=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 1799236288 DZXAQWWRDBVXKW-BJWYYQGGSA-N 448.520 0.706 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799355698 ZNALMEUVPGZAPG-FZKCQIBNSA-N 443.504 0.938 30 20 ICED COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CC1 1800558432 CBOMEIQTWYHPNT-HGKCTWBKSA-N 427.457 0.480 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc(C(F)(F)F)n1 1800778050 WHWCHIRFKUCWHT-DPIQGUFMSA-N 441.362 0.400 30 20 ICED CC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C1 1802223523 XIQICAHMHRJIGC-CCWDJLKJSA-N 449.504 0.311 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)O1 1803645647 HOZGQNJHFOYAOI-ZWIMSNSJSA-N 428.493 0.668 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149650 JADVPWZBUIGSSL-LZQZEXGQSA-N 428.537 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963377 MHTAMMBDUDFMMF-OAHLLOKOSA-N 426.477 0.301 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811222643 XOKFWQUTGHNVGZ-MARJLNQVSA-N 436.472 0.755 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCNC(=O)c2ccccc2)[C@@H]1c1cccnc1 1812883335 YQKHSFSZXXQAKC-AUSIDOKSSA-N 448.479 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819523474 NADLNTXQLMVFEK-LQVUBYEASA-N 443.529 0.748 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824536403 HFSWBZVLTDLCRH-CYBMUJFWSA-N 445.501 0.821 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831393382 KYWGHDZHWQLNSP-OPAMFIHVSA-N 430.505 0.397 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831408865 FIJCZZJQMMLIQE-OAQYLSRUSA-N 439.509 0.268 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1831426920 PYXXPRMDEXUALT-KKSFZXQISA-N 434.493 0.327 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832162272 LLCAOYKTQCTTLT-MOPGFXCFSA-N 441.406 0.942 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015548 NPMSOLAYMHDTOL-FOIQADDNSA-N 438.550 0.827 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c1 1833409314 FHMDXOUTYIUIBV-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833465026 GHPYLMPEPGAPDZ-KRWDZBQOSA-N 434.581 0.759 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5c(c4)OCO5)CCO3)C2)CC1 1835166617 UUCFHPRXIGUFID-JOCHJYFZSA-N 427.457 0.718 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835347776 FYRXSPJFFYEVJL-QHCPKHFHSA-N 441.484 0.776 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)N1CSCSC1 1835359851 LVJSFZCQTGKBGF-CRAIPNDOSA-N 428.580 0.790 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835361517 NLJJILLGSMPMFY-SARUNTBLSA-N 430.461 0.517 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1835673166 XYBZVIIXNOGKTF-BMOUEYTDSA-N 441.532 0.833 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837440922 GWMNSYODIQTRDS-SGCYSOCQSA-N 445.520 0.389 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441761 CVPMEBSFLKWJBU-IBUSPFOHSA-N 448.568 0.196 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837559687 BQGHQPCVSXYOEJ-JBMWNJKUSA-N 443.504 0.668 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CSCSC1)CCO2 1837574185 PPIJHVMXAZFOPQ-QFBILLFUSA-N 427.592 0.899 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838322573 BKSURUOPROIYJM-JOCHJYFZSA-N 443.504 0.414 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc2nccn12 1838740271 JHOLMOPXUBJWDZ-QFIPXVFZSA-N 449.471 0.621 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1839174514 HDUYUTSXZVJOOI-JOCHJYFZSA-N 431.489 0.590 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1839418955 DRAGBOBLRUOOFS-AOMKIAJQSA-N 444.463 0.294 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839806129 BCOWHVREHTZYPF-JTSKRJEESA-N 435.521 0.769 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)cc1 1839866679 IHRXTCTXTYKVAA-XXBNENTESA-N 440.500 0.083 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839878727 GOPMGXAZVYPKMH-SPLOXXLWSA-N 448.907 0.806 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840169103 KDXWNMCBUGNQOQ-KRWDZBQOSA-N 429.399 0.697 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840955948 UOCMLNWTLLIPCF-JOCHJYFZSA-N 447.532 0.914 30 20 ICED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C1 1846301750 QLWOADINCGTELA-ZIAGYGMSSA-N 442.582 0.926 30 20 ICED C#CCCC(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1846999469 IGIZDOUGSZCHBP-UHFFFAOYSA-N 445.541 0.938 30 20 ICED Cc1cc(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)n([C@H]2CCS(=O)(=O)C2)n1 428795147 VYNRUOLJLLVKCB-IRXDYDNUSA-N 444.517 0.910 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 433527733 HQYHZOIGJMKCJF-UHFFFAOYSA-N 431.449 0.632 30 20 ICED N#CCCN(CC1CC1)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 439327593 IQMLUGBJHBLLGI-LJQANCHMSA-N 426.473 0.792 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(Br)cnn2C)c1=O 447265796 ILTCVVKEUBSLEQ-JTQLQIEISA-N 437.319 0.534 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)c1C#N 461192840 NFSGFPLKFCHEBJ-UHFFFAOYSA-N 425.474 0.231 30 20 ICED N#Cc1ccc(OC2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)cc1 461742940 OCNFEPHWLXBDRW-UHFFFAOYSA-N 440.481 0.582 30 20 ICED Cc1cc(NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n(-c2ncccn2)n1 467600120 KDLZOYMQIAKSMC-PEBXRYMYSA-N 442.439 0.781 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)n2)c1=O 479381342 AASVXNULJFMGKA-UHFFFAOYSA-N 430.530 0.769 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2Cc2ccon2)CC1 480932995 JDXASSBDWUXSAE-UHFFFAOYSA-N 439.497 0.206 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)cn1CCOC 481346317 JZUOKPIPLGOTSC-GJZGRUSLSA-N 435.481 0.940 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 490158152 LCPMXAPFCLRYKX-UHFFFAOYSA-N 434.496 0.855 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 499059797 RFNCRVWXIAQEFS-UHFFFAOYSA-N 437.504 0.286 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500602930 BDJKMHIFMUFGPQ-AWEZNQCLSA-N 447.499 0.479 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 501924332 RERKUXNZAPYAOB-WFASDCNBSA-N 435.462 0.355 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 504879133 MICGOPPZPSWHLG-ZBFHGGJFSA-N 437.474 0.132 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2c(C)cnn2C)c1=O 505690152 NDCCADLWFRNYQH-HNNXBMFYSA-N 429.546 0.550 30 20 ICED COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(F)F 507803317 HQDFZEDGHMEAJZ-UHFFFAOYSA-N 430.477 0.605 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508909313 ZAFFSJFFXZJDHU-UHFFFAOYSA-N 431.464 0.694 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2)CC1 517343869 ZNHQMFZIOQZVCI-UHFFFAOYSA-N 433.534 0.257 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 524649367 DQOAOCUMEMOYBQ-UHFFFAOYSA-N 446.489 0.186 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(CC(N)=O)c2=O)n1 531909760 NHOQDCJSXFOZLD-UHFFFAOYSA-N 428.514 0.697 30 20 ICED COc1cc(C)c(CN2CCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1OC 534240435 BOOPLQUBMLYELG-UHFFFAOYSA-N 441.488 0.089 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196340 QRKKXACKCYJSCO-UHFFFAOYSA-N 436.472 0.951 30 20 ICED COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 553147940 ALUCKRMURVKVSL-KRWDZBQOSA-N 448.483 0.532 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)n1 568132677 OHLLXGXOHHGSFD-UHFFFAOYSA-N 429.396 0.490 30 20 ICED N#Cc1cncc(S(=O)(=O)NC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C2CC2)c1 576625488 KDLNEDQQMHMEDD-KRWDZBQOSA-N 432.487 0.255 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccccc3OC)CCC2)CC1 583047823 APYNWRREZDVERO-UHFFFAOYSA-N 428.533 0.680 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2=O)cc1 588868287 BMSAVQWJNJUNBH-UXHICEINSA-N 439.516 0.099 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 603785113 WGAVTFAONWXNRL-UHFFFAOYSA-N 435.527 0.839 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O 604269902 IAQKBPZKFJRNIB-UHFFFAOYSA-N 432.571 0.643 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C 610503687 SLRRFEUFJOJZGO-UHFFFAOYSA-N 443.554 0.206 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O 726042433 CBLKGNITIXSCGS-RDJZCZTQSA-N 442.472 0.286 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1cccnc1 727814734 XOKGNULWXXYPSN-UHFFFAOYSA-N 448.552 0.703 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CCN1C1CC1 732707331 XVLOIQPEDJGMGM-HNNXBMFYSA-N 435.481 0.503 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 737269478 DAPLWZHAVQFYBA-UHFFFAOYSA-N 435.484 0.887 30 20 ICED N#CCn1cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 747434182 FGIWGPAKFFFZPR-UHFFFAOYSA-N 430.490 0.658 30 20 ICED CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 753927090 ADLDADZUIFNHLU-HZPDHXFCSA-N 427.552 0.996 30 20 ICED CC(C)Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 755910457 IWJDYWCIVGIYBQ-UHFFFAOYSA-N 430.555 0.684 30 20 ICED O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1F 756069254 YTCDMEQBDRYGJB-MRCUWXFGSA-N 429.452 0.825 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CCC3)s2)c1=O 758049638 GYPOKMXLGKOHOO-UHFFFAOYSA-N 428.539 0.533 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 758354938 USYZBCZTTPTINR-HOTGVXAUSA-N 443.508 0.771 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1 758663330 SWFACNAQJPLXCA-ZTENYAIWSA-N 442.538 0.781 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 763460345 HLUMDFHMNKGKTL-UHFFFAOYSA-N 433.493 0.142 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 772245867 ZXFZQSRIMICNAF-UHFFFAOYSA-N 442.544 0.190 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCC[C@H](S(C)(=O)=O)C3)nc2)CC1 788419973 PJBFSZMWLCMYNO-HNNXBMFYSA-N 429.568 0.773 30 20 ICED CC(C)C(CS(=O)(=O)N(C)C)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 794909031 PTUSZXGWYQBOIC-UHFFFAOYSA-N 446.599 0.333 30 20 ICED CNC(=O)NCCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 796742730 CKRVQFAETSOFML-INIZCTEOSA-N 435.506 0.828 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC2(CC#N)CC2)C1=O 797426579 JYVHUWHCIKJQEO-ACNSNUFOSA-N 449.558 0.964 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808327610 CBBLVEAXXNSKLH-KRWDZBQOSA-N 445.586 0.720 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 814180876 RJWRXTIIQMANLM-YJBOKZPZSA-N 446.529 0.377 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1 816757319 PZWSOUNKEVVULF-KRWDZBQOSA-N 425.507 0.982 30 20 ICED C/N=C(/NCCN1CCOCC1)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 849057525 MEHBSRPVBODARM-LJQANCHMSA-N 435.569 0.574 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)ccc1F 914657203 CEKLXEXVESKVRJ-GXTWGEPZSA-N 441.481 0.559 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)nc1 918476529 UAOHOSPECRXEME-UHFFFAOYSA-N 433.472 0.177 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 918803763 CVBCLYGSBAAUQU-QAPCUYQASA-N 425.507 0.637 30 20 ICED C[C@H](CC(=O)N1CCC(N2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1171870629 VGAGAVDCSDEFLC-MRXNPFEDSA-N 433.578 0.742 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@@H]1CCOC1 1261211408 UVOSEYDPDUWORQ-LBPRGKRZSA-N 449.483 0.423 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1286536925 UFDVNNPIHDQABA-JTQLQIEISA-N 435.348 0.499 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1288269140 KJUHFNYNIDEFGQ-HNNXBMFYSA-N 445.549 0.811 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1301759057 LGMQIUHLCXODBE-UHFFFAOYSA-N 437.504 0.923 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1302210721 PUDXDQZZEMCWQV-FZKQIMNGSA-N 426.518 0.927 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1303050656 WPLKAZQQUNIVOO-MJGOQNOKSA-N 449.577 0.138 30 20 ICED C#CCNC(=O)c1cccc(-c2noc([C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n2)c1 1325464425 WPKOWBKRDPEDEH-HZPDHXFCSA-N 428.470 0.603 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1359467631 VTFGNPZSYHCLDY-RDBSUJKOSA-N 432.572 0.451 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1554504175 WGYABTOPABIVHM-UHFFFAOYSA-N 429.550 0.898 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1556823027 KFWZQQYWVVUVJR-UHFFFAOYSA-N 427.486 0.783 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cccn1 1611707742 XIRZTOMQKPREPL-WBVHZDCISA-N 447.569 0.352 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1619738108 XQHNXEKINMWTBX-PBHICJAKSA-N 434.522 0.606 30 20 ICED COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1712455979 PIYGTMABPOXLLX-UHFFFAOYSA-N 428.493 0.775 30 20 ICED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1764215939 ODAJNEFILYSZDE-OAGGEKHMSA-N 425.559 0.491 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778159627 AHZCXXSDOCDYCQ-JOCHJYFZSA-N 433.505 0.357 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779104717 DQEJDDHMDVZCJC-IOFJYKPDSA-N 436.509 0.358 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779230829 VMBQHQQXNKEDDI-PWPXAWQVSA-N 447.532 0.845 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780170054 YDNWCOIEURITDV-UTKZUKDTSA-N 429.477 0.457 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781053017 BJJBPAFFTZJDQH-PQESEWCPSA-N 442.516 0.929 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497387 AEVYNYPNBIURIZ-XSLAGTTESA-N 425.595 0.588 30 20 ICED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784383158 SGGNMHSMXFWETM-VJANTYMQSA-N 449.548 0.919 30 20 ICED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784643770 UQUHALRGRRCTNZ-PNRSEYPISA-N 432.521 0.841 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785061837 JZNIFCXTLXOVHT-SNRMKQJTSA-N 438.484 0.956 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCO3)C2)cc1C#N 1785196920 RYIRVOJRDHRTPI-JOCHJYFZSA-N 431.489 0.798 30 20 ICED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1785308684 MWCRAMUGSZGLDM-OPAMFIHVSA-N 449.504 0.764 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H]2C1 1785755791 QFYXLHWBCKAUPP-UYBBGVAXSA-N 441.532 0.599 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1787411546 RKXISCLEPCKART-OKYOBFRVSA-N 427.505 0.793 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCNC(=O)C4)C[C@@H]32)ccc1F 1789908465 WRKQPPITFATDMJ-DUPRYPCISA-N 442.491 0.746 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1791439848 YSPVVMZAZBAMMC-IMPIEMTGSA-N 434.562 0.962 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c1 1791984829 MXVZNMDDXFDGCJ-QZHFEQFPSA-N 433.530 0.952 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccccc3)[C@H]2C1 1792117739 FDLUBXKEYAASSP-HZEGPAAWSA-N 441.528 0.825 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOCCOCCOC)C[C@@H]21 1792175395 UEWKNONJCNFUGB-UFYCRDLUSA-N 440.537 0.076 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)C2 1792484772 PHYGANNEQWTGPB-DYOYJILVSA-N 433.505 0.024 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1792925885 GTEKLZJNSOLBDZ-KOUHRCEDSA-N 443.548 0.815 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC)n1 1793984528 UKMAYYKSFIKDAZ-VLTQWEFMSA-N 428.489 0.081 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794012638 UMOLIDHYWFBAQQ-FBKAWLDUSA-N 430.486 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(F)c1 1795293781 KZIYPYIDDVNQNE-JLRLZTEKSA-N 433.455 0.955 30 20 ICED COc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598189 GARWTEVKBPIMJW-UPHUGPLXSA-N 443.548 0.894 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1795598510 JAJDUHPJRTUMCD-MIFYACCESA-N 425.493 0.443 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCCC2 1796161698 WDSFAHFWHIYSCK-YUBWNGLZSA-N 427.505 0.350 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1797913626 DJCVCCZHEQTISS-IZZQQSIFSA-N 441.594 0.299 30 20 ICED 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)[nH]1 1798177426 FXDDXKVSISGBGB-HLPPOEQASA-N 449.508 0.788 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O)c1ccc(O)cc1 1799293580 YQHUNIOZWXEDEH-SUQDKLLUSA-N 427.501 0.613 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1799390524 XJBFRIKSTHWXJD-MFCZKXCZSA-N 428.493 0.822 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl)n1cnnn1 1799753822 QQIFJFZVHNHLRC-MBMVNNNZSA-N 429.868 0.663 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nn[nH]c2c1 1800143855 GXBHJMWZJLSCJR-CCWDJLKJSA-N 427.461 0.671 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)C2 1800779049 OFCRBUBLVHGOJB-VPTLXERWSA-N 444.463 0.115 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806282326 WWKRCJXXYJICSU-RYRKJORJSA-N 431.493 0.887 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807144509 ZSULFIWQSXDFBG-SZVBFZGTSA-N 428.537 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812342846 GBWPVNMDFCCFOF-LVCYWYKZSA-N 439.516 0.917 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1812391816 CRFJBGDWZHSADW-ICSRJNTNSA-N 449.467 0.816 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1814063385 DYXXSHZBGJIYSE-MXBUBSDBSA-N 449.511 0.761 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1814982182 KLUWWAPBVGEGRR-NSHDSACASA-N 429.506 0.734 30 20 ICED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817272081 UEZKXKNHPMNTGF-LBPRGKRZSA-N 425.536 0.784 30 20 ICED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1)C(=O)C(=O)O 1819395918 QZMYDBUZHFLIHW-VRCTWVPOSA-N 447.496 0.417 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819454545 OVMCIJQJPAFFJQ-GZSHILNYSA-N 431.453 0.807 30 20 ICED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](N)CN)[nH]n2)c(C#N)c1 1820836588 YMXDRDXJRQMMFU-WMZOPIPTSA-N 425.493 0.811 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824554517 ZDNIDMZCJBNECR-NEPJUHHUSA-N 431.474 0.668 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1830057320 BVRRIKSWGJRZMM-FQEVSTJZSA-N 438.431 0.863 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831414123 RLHFNYNYRHKCOT-LEWJYISDSA-N 442.509 0.041 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831495900 PANDHXBWKNOQMQ-XLIONFOSSA-N 433.534 0.982 30 20 ICED Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1C 1831975407 KBVNRHPBGRXFRG-NRFANRHFSA-N 433.509 0.643 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832162278 LLCAOYKTQCTTLT-RTBURBONSA-N 441.406 0.942 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1832453323 UVXLQIKFVYTDNL-OAQYLSRUSA-N 449.529 0.842 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833566876 YVLLXLZZUHFYLL-OAQYLSRUSA-N 449.529 0.110 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834083205 NGUAYIUOJNYOPC-QGZVFWFLSA-N 428.533 0.609 30 20 ICED Cn1c(=O)n(CC(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)c2ccccc21 1834398292 BOFQBKKOWIFGDQ-UHFFFAOYSA-N 438.532 0.825 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834401782 OUTDFLADOYWZMS-QFIPXVFZSA-N 439.472 0.441 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1834445946 LAZVDWFYERSDRW-NAURTCDJSA-N 435.481 0.019 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834774405 PBDJMGHKYVMLJK-BMOUEYTDSA-N 448.516 0.261 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732651 TUACBLFSBBBDDB-CSUZIONRSA-N 434.585 0.554 30 20 ICED COC(OC)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835765976 SEXGZSLZVWQWKJ-QTCOBDOFSA-N 440.541 0.706 30 20 ICED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835803936 NLJLGTKGKDLFBI-YUTJSNEMSA-N 447.517 0.816 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836762562 SDCXBZAITGLLIJ-PNLZDCPESA-N 435.521 0.579 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564401 LGFLCPFZKDMTRP-ZWTIIMOHSA-N 433.505 0.728 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1837648389 HNYNALNKZVZAIL-CRAIPNDOSA-N 427.452 0.582 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837943562 OIUYIFYXERCWGQ-NRFANRHFSA-N 448.476 0.228 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838440282 VXAMTLKPODWSIP-RBZFPXEDSA-N 434.518 0.667 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579189 DRZDVRLOOUXSRZ-UZUQRXQVSA-N 441.484 0.675 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1838737890 DSWJIBCSBYSFLP-HLQTZPMBSA-N 428.493 0.428 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839174310 RSGKLZRZCLCBDW-JOCHJYFZSA-N 448.520 0.466 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839225179 AIUKFHRVUDPQPX-UZLBHIALSA-N 440.497 0.086 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839225566 NFYWDMHKGFECDG-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450667 CICADXUOGXTNNZ-OFNKIYASSA-N 442.516 0.851 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650955 CSLHNUTVNKALNU-VGSWGCGISA-N 448.520 0.144 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 1839808535 UDNQDONQHYQQHW-HTAPYJJXSA-N 435.521 0.866 30 20 ICED CCCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043270 OPILDAFGJZGGFX-JOCHJYFZSA-N 430.457 0.633 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840161546 SZZCWXRIWGXKPP-BTYIYWSLSA-N 448.545 0.115 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840173273 MQPYRULFUPAAAK-QFIPXVFZSA-N 426.473 0.580 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C)=C/c3cccnc3)CCO2)C1 1840411962 KRXMTOQGJSZSFD-KGYFJTNRSA-N 427.501 0.980 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840840560 WPQZDIKGQWRPHA-HSZRJFAPSA-N 441.484 0.854 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841649822 MNYLKFSQBFXSPJ-CVEARBPZSA-N 448.520 0.995 30 20 ICED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842621336 YEHJUEBGEYBMSN-MMEWPQADSA-N 426.539 0.765 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)CC#N)C2)C(C)C 1845248263 OZANOHDJFMEUQV-RDJZCZTQSA-N 433.509 0.475 30 20 ICED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1 1846975577 KEVNIFUXVACZGZ-UHFFFAOYSA-N 437.537 0.970 30 20 ICED O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 97491276 ZVKHWDNOOMGHOG-UHFFFAOYSA-N 436.434 0.596 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCNS(=O)(=O)c3cccs3)NC[C@H]2C1 305195867 LHJKWVCEYUGGGV-ZDUSSCGKSA-N 429.568 0.907 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 410114568 FYDJRRDGINQYAC-LJQANCHMSA-N 434.562 0.547 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 410394743 DYPLTNBNDOWYNC-LLVKDONJSA-N 435.494 0.163 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)n2)cc1 427392759 XZLVVFLCDZMOFK-UHFFFAOYSA-N 432.444 0.997 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 439452287 IFXBTRUKWMSFSN-OAHLLOKOSA-N 432.420 0.445 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)c(C(N)=O)c1C 439573219 SGBBUGISQDZRCY-UHFFFAOYSA-N 425.424 0.490 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)C1=O 440273597 OYEBBXWTPQXSLB-QGZVFWFLSA-N 434.518 0.677 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 446512641 NYHYUDIVZXGNSD-GOSISDBHSA-N 449.529 0.447 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(C2CCOCC2)n1 446802865 IHECNYMGFCUFMM-OAHLLOKOSA-N 438.492 0.881 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3csc([C@H](C)OCC)n3)CC2)C1=O 464036139 ZUORUBAMKIGBIB-AWEZNQCLSA-N 449.533 0.862 30 20 ICED C[C@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467196963 SGNIDVJWEDVXSS-YVORESIASA-N 426.564 0.090 30 20 ICED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)CCc1c(C)nn(CCC#N)c1C 469289948 USVGSXPBKJZLEX-UHFFFAOYSA-N 440.551 0.911 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 476416296 SANMHINRTRPZBQ-UXHICEINSA-N 439.516 0.099 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)CC2)cc1 481675520 VHRVJDPXYOFVHG-AWEZNQCLSA-N 444.435 0.802 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 481789341 WUNPITBICLHUFR-INIZCTEOSA-N 434.449 0.737 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486629403 NODPKZHKSXLPEX-SFHVURJKSA-N 448.526 0.546 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 487612269 XVSHJNCYMFXJHY-GMBSWORKSA-N 437.508 0.805 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)CC1 491073530 CPNGNNZURSYVBT-UHFFFAOYSA-N 427.274 0.973 30 20 ICED Cc1onc(CC(=O)NC[C@H]2CSCCN2C(=O)Cc2noc(C)c2C#N)c1C#N 496971421 VDUQOFHCXXQGAX-ZDUSSCGKSA-N 428.474 0.868 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)c1 499493125 UXYGYZGYVLHVJI-UHFFFAOYSA-N 444.473 0.177 30 20 ICED CN1CCCC[C@H]1CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 501137651 VQDJDKNKZPSTLX-IBGZPJMESA-N 433.578 0.807 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 514805199 KECCAVZBGMIWDO-VQIMIIECSA-N 431.518 0.976 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC)c1 519187754 HGTOKGOHUIXGSS-SFHVURJKSA-N 445.516 0.457 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1Cc1ccon1 519678217 HCAJWEBNHHDGMN-UHFFFAOYSA-N 446.286 0.353 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 526940962 TXQPIMOWNRJECO-INIZCTEOSA-N 436.925 0.761 30 20 ICED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 533287247 OQRWVLVYXYNHGL-UHFFFAOYSA-N 446.533 0.734 30 20 ICED COC(=O)c1cccc(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 534490576 FOLXXWVKAVPWIT-HZPDHXFCSA-N 436.534 0.816 30 20 ICED COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 541303583 ZOIXXETZCUXSQX-UHFFFAOYSA-N 431.430 0.732 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSc1ccccc1 551920336 PANWDKOZFHIWDZ-UHFFFAOYSA-N 439.566 0.993 30 20 ICED COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NCCn1cnc(C#N)n1)CC2 553542130 QOPOENUKSCGTOF-UHFFFAOYSA-N 441.492 0.831 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 555428320 RYMOZIAFDBMJFW-OAHLLOKOSA-N 430.530 0.661 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(C)C 559152435 IGSXJLVHSKJTDN-UHFFFAOYSA-N 431.562 0.828 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)nn1 560193031 ZKVYBONSJINMNX-UHFFFAOYSA-N 436.432 0.494 30 20 ICED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 563231513 GVYRDALAKYLSBL-FUHWJXTLSA-N 435.488 0.449 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cc(OC(F)F)n(C)n3)CC2)c1C#N 564497401 MRMAQWUHTFYQJR-UHFFFAOYSA-N 425.421 0.945 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(CC#CCN3CCO[C@@H](Cn4nc(C)nc4C)C3)CCO2)n1 569011590 HTAVMFWXCLXGNP-SZPZYZBQSA-N 442.568 0.208 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCN(CCO)S(=O)(=O)c2ccc(C#N)cc2)cc1 581395479 IKVUQNVZNSSFCD-UHFFFAOYSA-N 434.499 0.391 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)CC2 588135049 MLNRHKCGJSABSQ-CQSZACIVSA-N 438.492 0.351 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 603806703 XTSNZEKEDPKRCM-HXUWFJFHSA-N 436.534 0.819 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 604270400 XWYFDSKRSVAHLS-UHFFFAOYSA-N 434.468 0.305 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@](C)(C#N)COC)CC2)o1 610924901 ZRMOZRRCMLYIFG-GOSISDBHSA-N 427.479 0.902 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)c1 684535528 QWUDCVWWBLTJNG-QGZVFWFLSA-N 439.537 0.805 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 732796844 JVLYEBDSIBLUMA-UHFFFAOYSA-N 429.546 0.894 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732798135 XQYORZZYTQQPRH-UHFFFAOYSA-N 429.546 0.849 30 20 ICED CN1CCC(N(C)CCN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733164283 OCZIOSGGLUGJIH-UHFFFAOYSA-N 435.594 0.990 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 762549861 QXKUOAMAHJIDBC-JRCVOMKHSA-N 449.533 0.565 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[C@H]1CCCO1 773792984 FLTZMYBJUNCKMX-JKSUJKDBSA-N 434.880 0.394 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCS(C)(=O)=O 777946379 IBURWRQZODVONM-UHFFFAOYSA-N 449.529 0.207 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 783349889 DGNJGEFGXUYOBK-UHFFFAOYSA-N 439.559 0.840 30 20 ICED CCCCCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 785496969 MKNXLYIMSBRIFU-UHFFFAOYSA-N 445.630 0.490 30 20 ICED N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786199173 DYSFKRRWOYHTSO-UHFFFAOYSA-N 427.822 0.956 30 20 ICED CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787756579 BKFZSGLAQQGSJB-UHFFFAOYSA-N 438.492 0.409 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOC4=O)cc3)CC2)c1C#N 788339203 MPVXFKXVNDMYFA-UHFFFAOYSA-N 437.460 0.844 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 817228512 VOFKWBBWMDCMLM-DOXZYTNZSA-N 445.497 0.834 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 875244527 ZJYRVWOGKAHWDE-UHFFFAOYSA-N 425.401 0.764 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 875841902 JYOYGHMDBGVGAG-UHFFFAOYSA-N 442.563 0.436 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)c1 914425715 OWWIDRXNUIVPCD-UHFFFAOYSA-N 445.501 0.447 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C(C)=O)CC1 917139672 AFNZABJELKODRW-SFHVURJKSA-N 449.577 0.564 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1298880828 XOMYWGMDDSSLSI-NRFANRHFSA-N 444.561 0.897 30 20 ICED CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302449654 JRFZKBBVHDYYGA-INIZCTEOSA-N 435.554 0.125 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1316350286 ZTQAABQPDWVUGW-UHFFFAOYSA-N 438.517 0.978 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1319928843 NKJJOCWOWUZBBY-QGZVFWFLSA-N 426.473 0.829 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(NC(=O)OC)C3)nnc12 1320451151 LBQCNWBKGWJWNN-UHFFFAOYSA-N 428.474 0.889 30 20 ICED C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OCC 1321048387 HSTQSANFHQTMTC-SFHVURJKSA-N 437.518 0.777 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1628786880 JXXOMZQSNAZZPV-UYAOXDASSA-N 437.475 0.945 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1676606961 XJBFZHONJOATNE-UHFFFAOYSA-N 425.493 0.067 30 20 ICED CCS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1710904225 YFEYCNBRBQMEEH-QGZVFWFLSA-N 434.522 0.568 30 20 ICED Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1742655511 YORMTHHOUNTYFF-KRWDZBQOSA-N 425.541 0.992 30 20 ICED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1749619941 XOXJXWDLPTWXSB-NRFANRHFSA-N 428.493 0.843 30 20 ICED CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@H]1OC 1770304839 SIPDPRUHNLKRLP-JQVVWYNYSA-N 442.520 0.645 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465855 HIJKHCVNHLHVDZ-CRESJJQNSA-N 442.476 0.702 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910205 FBUYPAWDTNSYJG-JXHRLWIKSA-N 434.581 0.877 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)NCC)C1 1779323894 VIUQSLFJPJSBEP-QNFHRHJVSA-N 438.569 0.781 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO3)c1 1780174377 UGJKZLKHIAYBAQ-OYHNWAKOSA-N 428.489 0.877 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780545652 ZUNJGQVATBXLTR-VGOFRKELSA-N 444.557 0.819 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccn(C)n1)C2 1780739393 HRNJSCSWXALDPC-XMSQKQJNSA-N 432.521 0.986 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1-n1nccn1)C2 1782015486 QUORWIZHOQVREB-XMSQKQJNSA-N 437.456 0.483 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782955079 WMVBVXPWCFAKGR-KNQAVFIVSA-N 445.541 0.898 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783053242 QVMKEWBTWQJLSL-BTYIYWSLSA-N 437.493 0.296 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)c1ccc(O)cc1 1783167520 SJSPFFLZAPWMBD-IMWIBFENSA-N 439.512 0.855 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1783529264 JPBSWBMHGLFBDV-OIMABFAESA-N 428.489 0.299 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CCN3CCCC3)nc1)CCO2 1783561926 QJOUBTXJSVVHAV-HSZRJFAPSA-N 440.500 0.251 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783574382 ZEEIGJQLJBGESV-ZHRRBRCNSA-N 449.504 0.694 30 20 ICED O=C(Cc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784247901 IKWSNLCFBHWVJZ-IHPCNDPISA-N 426.517 0.697 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccnc1 1784257276 DALGLBBFOKNAOR-JCBINLFSSA-N 433.509 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C[C@@H]21 1784482041 CEOODKHEDQSBDG-FPXQBCRKSA-N 430.461 0.930 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1785427970 NJBKDPNLNCXPPC-ODGPQVTHSA-N 425.529 0.865 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)cc1 1787439338 ORJVGAFLGLOAGV-BQFCYCMXSA-N 437.456 0.861 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)c(C#N)c1 1790853328 UCRBEPIBCCZEKN-SNRMKQJTSA-N 428.489 0.355 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1792255570 ORXNKINNGPFXSL-FJIDUMEYSA-N 447.532 0.862 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793310359 VYLVNWUUIPSUQS-NXOAAHMSSA-N 429.583 0.896 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851724 QIQLIXNOBIXODK-BCDXTJNWSA-N 427.501 0.638 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1794005678 LRXFWPSQROZQGP-XEMDLRDOSA-N 438.444 0.875 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc2cn[nH]c2cn1 1797579234 UZTXQRZLYOVXFW-SWAGHCSDSA-N 425.493 0.633 30 20 ICED CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797808818 RNOJQECOAPWIIB-VZTDJHLFSA-N 447.492 0.608 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1Cl 1798590121 BHMNDXLECWUIHT-HRJSJKBJSA-N 433.896 0.008 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cc1F)C2 1800778063 YNTHXYWECHZYSM-YQYWCBKUSA-N 426.347 0.718 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801289261 UDAWNVIJVVHFQF-YALNPMBYSA-N 439.463 0.258 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802679342 HTLBKJGAPBVXMZ-AOIWGVFYSA-N 431.537 0.932 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804345508 YZUBIMNEVWJKSB-IPJJNNNSSA-N 445.479 0.737 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)C2)cc1 1804942975 PRKCRGVTYRTWRX-LJQANCHMSA-N 425.533 0.925 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1810357294 HOKYTQLSNJNBSN-AVNZUWBNSA-N 431.493 0.753 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1810438655 LQBIKQMVJIOXQK-IEZWGBDMSA-N 447.499 1.000 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812388777 PTVKKBKCODPIRM-PXNSSMCTSA-N 446.504 0.613 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1812879161 QFLQDOAMHDAUEG-QVKFZJNVSA-N 439.428 0.501 30 20 ICED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1814493175 SWGRSJVTGBSDMM-LBPRGKRZSA-N 425.536 0.784 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)NS(=O)(=O)CC)n[nH]1 1815163637 GCVBAJKWDWAGJW-IIAWOOMASA-N 439.538 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817077333 HIWVZJBHPFNLEI-OMMCCPJFSA-N 444.473 0.429 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1 1817358244 NRQFVUBREPTYNY-COBJECQMSA-N 449.512 0.524 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968516 UWTHXDBMKKEQRG-HSALFYBXSA-N 437.581 0.830 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830297396 YKSKJGLKYPIEMU-YCRPNKLZSA-N 438.525 0.906 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1831402980 UXYWZWJOTZIMKB-WMZHIEFXSA-N 429.517 0.899 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1831427484 WMUAUQAIGMLCET-IIBYNOLFSA-N 429.477 0.390 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831491514 DOOXKKVJDLXECL-OXFYSEKESA-N 429.583 0.702 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1832456787 ZZMPHRLIFQTCKL-HXUWFJFHSA-N 431.518 0.719 30 20 ICED CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccn1 1833371742 VRPUWPXFJTZWBX-QFIPXVFZSA-N 429.473 0.537 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833489901 AAEGBRYKLOMPDM-WMZOPIPTSA-N 427.615 0.105 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1835058976 IUDUTTNYIOSWCC-CRAIPNDOSA-N 438.573 0.806 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835291623 XECBZZQTRSOAMR-ZWCUEREDSA-N 433.505 0.977 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cs1 1835674955 HSEUPVLTXZMITF-OAQYLSRUSA-N 449.577 0.732 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234179 MZLBZOKWXQWWTO-VFNWGFHPSA-N 435.452 0.338 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147522 PHLOCNHNHIMPNY-MWTRTKDXSA-N 443.500 0.591 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc2c[nH]c3nccc-3c21 1838482801 ADGZIFMXTGLBEO-JOCHJYFZSA-N 436.472 0.990 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838651417 SBHHLAGLKODBCE-NRFANRHFSA-N 433.461 0.367 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn5ccnc5c4)C3)C2)c1 1838736928 BTVAOPHOIHOEMV-QFIPXVFZSA-N 434.456 0.918 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1838905448 GPJFIYNCDGILQK-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1839173392 MPIFRPVANAHAAC-UTKZUKDTSA-N 434.493 0.410 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839228829 QFVPJIMXCJLEOV-NEYJZJCJSA-N 425.526 0.795 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(Br)nc3C)C2)C1 1839808065 IUNODNPGOGYEGP-MRXNPFEDSA-N 428.308 0.917 30 20 ICED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)CN1 1839867219 UZLFJUVMDWYZOO-VGOFRKELSA-N 445.903 0.284 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839887709 GQGMKDKWABOLRP-IBGZPJMESA-N 431.480 0.377 30 20 ICED CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccn1 1840040838 ARBDSTXBZMXNHJ-QFIPXVFZSA-N 429.473 0.537 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840163313 RCQNTDBOHDZVDJ-STXHMFSFSA-N 443.566 0.771 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840169796 RUHVXOIBCGBCER-NRFANRHFSA-N 429.452 0.742 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccc1[N+](=O)[O-] 1840758316 SJOSXGGTRXUZPV-OAQYLSRUSA-N 444.444 0.977 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)CC1 1840799397 WXRZXXXUAQKJBW-QHCPKHFHSA-N 440.500 0.567 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840842882 HRTSBWYKKVPRAF-HXUWFJFHSA-N 430.486 0.239 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1841746653 WYYKNIZWWRXVQI-HNNXBMFYSA-N 434.541 0.499 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@@H]2CCCO2)cc1 471298909 WGUIDPMDJCVMMN-IRXDYDNUSA-N 434.518 0.452 30 20 ICED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 473269704 OJSPWFGPVAFGRN-QGZVFWFLSA-N 438.488 0.794 30 20 ICED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 473577250 MYRONMSFCHXPSG-KRWDZBQOSA-N 436.925 0.983 30 20 ICED C=CCOC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 481761193 HZMVYBUNTSCGAW-GOSISDBHSA-N 439.534 0.162 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccccc3OCCO)C2=O)cc1 506187770 DOFSFIBGRYEQQL-LJQANCHMSA-N 436.468 0.463 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506589744 GRUUZOMCZVJSID-NOLJZWGESA-N 428.536 0.059 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508849735 RYZOGUHGZOBOTD-SFHVURJKSA-N 435.492 0.934 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)NC)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 511737038 KBIFQQPYZZNHOS-OAHLLOKOSA-N 433.538 0.914 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)NC)n(C3CC3)c2=O)cc1OC 523735773 AZFAAIIAZPRFDQ-UHFFFAOYSA-N 429.498 0.910 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 532703842 FUJWMWSDRZJFES-NRFANRHFSA-N 435.594 0.945 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 532710998 WZHYKEAMVFOCQM-KZIZELGASA-N 426.583 0.393 30 20 ICED CN(C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1)S(C)(=O)=O 537248887 NLPTZGPEQVVNMY-KRWDZBQOSA-N 439.607 0.813 30 20 ICED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 552797450 IJQVNSJDBHKSQO-UHFFFAOYSA-N 441.513 0.463 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCOCC1 557949298 AFQTYDJQCHRQKP-KRWDZBQOSA-N 431.468 0.100 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCO1 561678784 ZQXOYRUNTMCSSD-CTNGQTDRSA-N 427.549 0.840 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CC(N)=O 562412791 HCQRGUCXYBRQMC-UHFFFAOYSA-N 443.337 0.569 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 571454437 KBKGOOICYWTKKA-CQSZACIVSA-N 435.419 0.677 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1 578449471 YKGHYHZRQLYNRX-INIZCTEOSA-N 434.522 0.872 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 582196917 AMFSDFWOERJFRV-UHFFFAOYSA-N 430.549 0.780 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869072 WAMJDSWBSKDAFJ-IBGZPJMESA-N 447.499 0.223 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CC1 603997952 BVNIUHGRTWFFMO-UHFFFAOYSA-N 425.466 0.335 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 609254909 DSEZTEWEYACTTO-UHFFFAOYSA-N 448.483 0.898 30 20 ICED C[C@@]1(C2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)NC(=O)NC1=O 610658795 DNWYSZFBLFLYBY-NRFANRHFSA-N 425.493 0.942 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538718 NYVBWWJGBWUWPU-UHFFFAOYSA-N 446.488 0.870 30 20 ICED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 670202857 DWKIMECEMCVMNV-UHFFFAOYSA-N 426.481 0.889 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O 726042826 MUVRXRZPNLBOMF-CYBMUJFWSA-N 430.392 0.981 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727163559 BAPILCRQHDZGIN-UHFFFAOYSA-N 428.905 0.710 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(OCC#N)cc2)c1 727859329 SVJHFXDQXVQTMW-UHFFFAOYSA-N 430.486 0.885 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1 742563564 JGPMGMOAYZJJEI-XLNRJJMWSA-N 433.494 0.609 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1C 746363386 XDWBNCBLWDIHRZ-UHFFFAOYSA-N 430.490 0.495 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 750299619 BBXKYWZGOCXQTK-VHAMKEJYSA-N 443.551 0.655 30 20 ICED CCN(C(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 754294194 MTRUMFCWUWGIEZ-QGZVFWFLSA-N 438.550 0.320 30 20 ICED CN(C(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(C)(C)C#N 754618860 WIJFDMIYKOREMD-MRXNPFEDSA-N 427.461 0.840 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cccc21 755547561 PCKCPZNORUILPP-DGCLKSJQSA-N 429.433 0.945 30 20 ICED Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 757607297 WUDSMKWRFSUSBF-TZMCWYRMSA-N 442.476 0.430 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 758077742 BXGIHBRNGYHGPM-UHFFFAOYSA-N 435.427 0.827 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1OC 763042766 OADSXEKZZRSUGS-MLGOLLRUSA-N 446.485 0.851 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)CN1C(=O)c2ccccc2C1=O 767255005 MPPZQDNJSMXAME-UHFFFAOYSA-N 441.421 0.134 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)OCC)C2)cc1 770795603 VMSGNPSIVYCBKZ-HNNXBMFYSA-N 438.506 0.779 30 20 ICED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)nn1 772844438 HVMMMHVDHRPVRR-UHFFFAOYSA-N 436.479 0.940 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 787056839 AOKZRQVEVOCOMR-OAHLLOKOSA-N 431.430 0.879 30 20 ICED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 797541874 YOBWPKXMJWKTJZ-OGTCDWKQSA-N 449.533 0.423 30 20 ICED CSCC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 807906896 YGMJIOQWWSPXNZ-JSGCOSHPSA-N 426.564 0.830 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)c(=O)n2C 825375391 ITGFIFHWSFUFNM-UHFFFAOYSA-N 430.808 0.141 30 20 ICED CN(C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1(C#N)CCCCC1 914653754 LJBHAIQMTQSKON-LSDHHAIUSA-N 425.507 0.250 30 20 ICED C=CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 916522596 FTERTVAXKRQSMN-HNNXBMFYSA-N 437.518 0.915 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)o1 920906492 HHDOAAZTZCZDQI-UHFFFAOYSA-N 431.409 0.550 30 20 ICED N#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1171874676 OKCNXFWBGVNXMV-MRXNPFEDSA-N 432.502 0.682 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c1C 1306924440 VKQAHKDTXCGIIP-UHFFFAOYSA-N 431.518 0.690 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1314702469 ZZRBQTRSOIUMKL-UHFFFAOYSA-N 437.504 0.638 30 20 ICED Cc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N 1318596556 ZQUNTCSEKKNUQV-UHFFFAOYSA-N 428.470 0.952 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C 1509686173 XMNSTUUDCRFWKS-INIZCTEOSA-N 425.541 0.960 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1515993908 KMORDMCKCZEMPV-QFIPXVFZSA-N 439.520 0.226 30 20 ICED CN1CCO[C@@H]([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1564482833 LLWQAUDWMVAYHA-SJORKVTESA-N 446.895 0.845 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1637909340 QEPAYUMCPDBOBA-QGZVFWFLSA-N 449.920 0.595 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)cc1 1641758728 UHZLSJJMXHBQHV-QGZVFWFLSA-N 438.575 0.503 30 20 ICED COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1730761161 JXGHZZHVRHDAAU-OAHLLOKOSA-N 434.526 0.383 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1745802403 XDXPKQHDCXIEEA-QGZVFWFLSA-N 446.533 0.878 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766749537 GKEJKUBUSDFUGO-PRSFHMQYSA-N 444.565 0.927 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779067064 MKDREXHNBJIBJB-HSZRJFAPSA-N 444.484 0.946 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362639 LZEUOGLXRRTNJI-BZZBUKCYSA-N 435.569 0.839 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154436 HBPMSUFFZTUQMB-HXOBKFHXSA-N 446.500 0.870 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780410230 MZMOITOOPCRSJV-TXTKFYIRSA-N 442.516 0.837 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963700 LXZYWKVVCWJYNN-SPLOXXLWSA-N 431.468 0.848 30 20 ICED COC(=O)c1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015420 MGHILXMETOIAMH-WZONZLPQSA-N 442.468 0.618 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782584292 UQFKZFWPIQXTIM-XTSMJKTBSA-N 442.476 0.930 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558800 YQSKRPBDPFXJMV-VFNWGFHPSA-N 435.477 0.374 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380663 XQQXDWWZKYSPML-AOMKIAJQSA-N 443.504 0.475 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541538 WAMQONHIBPSBOT-YJYMSZOUSA-N 441.575 0.250 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC2)cc1 1785835970 MAJYXXWRSCGJFA-QWGSZXSUSA-N 439.472 0.577 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786858423 OYDPDHSJCZVEHJ-LNLFQRSKSA-N 446.552 0.405 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1790177589 WXIKDQQTOOCWQA-JKQORVJESA-N 436.509 0.503 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1793340806 ONJIBCOAPOQZMJ-OHHNFCFSSA-N 431.533 0.405 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])C2 1793345659 YPVMDWWBKVWZII-PJHJGJPPSA-N 447.444 0.551 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793361059 FGUDFUIWUDYHBY-UPHUGPLXSA-N 431.514 0.597 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC(=O)N(Cc3cccs3)C2)CC1 1793973624 DWRNBWUDNCCSHL-GGXPGOJBSA-N 442.541 0.990 30 20 ICED 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)CC1 1795411306 DFGPNMCZEKWCRL-JYYAWHABSA-N 436.509 0.155 30 20 ICED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)cnc2c1cnn2C 1795418749 LWXAHBYQNOQPBU-ZSBFGKGUSA-N 426.477 0.874 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795850923 RQMADWRSJOMJIA-DFGXFYAUSA-N 448.524 0.337 30 20 ICED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1795857734 IKZGLBIPNFTDOH-XFIYOXNOSA-N 433.534 0.108 30 20 ICED CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2)C(=O)O 1796092711 LEZSFNWFRXBKBM-SFNKJDCFSA-N 428.489 0.810 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796446859 JZHXUMFSVOZPEV-MXNRCXEESA-N 431.514 0.697 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)C[C@H]1CO2 1799156100 BAGXQBRYZASAHO-KMWNMMNJSA-N 448.520 0.658 30 20 ICED 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#CC(=O)O)C2 1799322406 IYJXORBTFWDSBP-YYAJDYIMSA-N 449.504 0.524 30 20 ICED COc1ccc(OC)c(CCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1799344010 XFFBMFNHEXODRW-GPVSGQMNSA-N 444.484 0.704 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807192030 MSJVJIFQTQEHDH-MZKRTTBSSA-N 433.512 0.732 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1820892833 GBFRHTANXFEFAJ-KBPBESRZSA-N 446.464 0.509 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1829765151 IQOHZOMQLMWMSI-LJBSOROUSA-N 435.521 0.118 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898387 BEMHDWJQAGKBPL-MBSDFSHPSA-N 425.485 0.595 30 20 ICED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)C1 1830472821 XMIIWRGSRKIMHN-JOCHJYFZSA-N 431.920 0.710 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1830636584 LVUOEKVQBMKAFB-JOCHJYFZSA-N 432.521 0.819 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1830979547 DQDGVPQRINNCJC-AUSIDOKSSA-N 444.532 0.599 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215946 CQWKYYHSINXPAC-LJQANCHMSA-N 440.422 0.922 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831281242 PGTIPXMZAQLLRY-KSFYIVLOSA-N 428.489 0.520 30 20 ICED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1831380400 BUPIRYPYEQIPQL-HWIIHTTPSA-N 439.509 0.398 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4sccn34)C2)C1 1831397409 XKDVOWGFSAEIAS-IIBYNOLFSA-N 446.529 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1831399018 NOKCQDFKVCSOHB-ZHRRBRCNSA-N 427.457 0.936 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831426448 LVQCTCMZYCHDIT-QVKFZJNVSA-N 435.477 0.899 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831829756 SRFJAACKYXJWOF-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1832447208 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1839847020 POOQHXIRSOIVBL-LIRRHRJNSA-N 441.575 0.515 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840246599 RXWIYICMKZFURO-QTOWCWIASA-N 447.891 0.896 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840845308 SUJYPVHIZPDRGT-JPYJTQIMSA-N 427.501 0.675 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840855079 VITYARYZTCDHRW-PLMTUMEDSA-N 440.541 0.549 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC=C)C2)C1 1840908267 HMIIGLYDCIXNHN-HTAPYJJXSA-N 435.521 0.936 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223952 DNKLWSMZNBPOII-NEWSRXKRSA-N 443.544 0.942 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)C1 1841750853 PZSBPFWOEYFPCC-IAGOWNOFSA-N 435.521 0.864 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058404 ILTHIBOFWBJZMP-ZIAGYGMSSA-N 431.493 0.997 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512491 SFQBAXQKSOVJGQ-YHUYYLMFSA-N 425.526 0.647 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NCCC#N)nnc12 9558968 ODXACGJYEJMXJQ-UHFFFAOYSA-N 426.458 0.895 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 410137866 YNUGVFUJPMTEJT-INIZCTEOSA-N 443.595 0.439 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 439217765 SKYSXXFLCHQCGH-IAGOWNOFSA-N 434.518 0.701 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc3c(cc2Br)NC(=O)CO3)C1=O 440409676 ONZIQUYTHKDAKI-UHFFFAOYSA-N 437.206 0.695 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443141074 LHXVCAUQYQQAKN-UHFFFAOYSA-N 427.383 0.676 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 446524032 QCJPRQXKGWZIHO-UHFFFAOYSA-N 449.533 0.140 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 474587306 SCOIMWPKGCPOJV-FQEVSTJZSA-N 426.477 0.217 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 477437735 QHHDUGNJWFJYGX-UHFFFAOYSA-N 443.548 0.734 30 20 ICED COCCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 477831374 WYBWOHRSGXYTMF-KRWDZBQOSA-N 428.532 0.525 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 480984060 QVWXPDRFTDCMBL-UHFFFAOYSA-N 435.437 0.774 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 482508997 LHIUXZWJKVRNSK-BLVKFPJESA-N 433.490 0.062 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 508220127 DUFPSRZXCCZHTM-MRXNPFEDSA-N 427.548 0.096 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508938212 HTQMBNNVRFLXFG-UHFFFAOYSA-N 426.525 0.597 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 520846722 GSTNZSOCQLJRNM-UHFFFAOYSA-N 443.529 0.924 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 521940746 HDKSAEMCINIPPS-SFHVURJKSA-N 437.504 0.072 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C)n2)c1=O 522278443 MLRYBECRKNCZSB-UHFFFAOYSA-N 434.543 0.073 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1F 523118373 MBFYPSSDYDUPJD-UHFFFAOYSA-N 425.424 0.281 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 537289790 JFHQJTQPMLWMSJ-RTBURBONSA-N 437.541 0.548 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 542830172 ZUPCEJDAXZRPET-UHFFFAOYSA-N 439.524 0.571 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1Cl 543722740 VXELIRROOAFKOD-UHFFFAOYSA-N 430.917 0.482 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCCN3CCOCC3)C2=O)cc1 551158818 GGFTXUBNSMFACU-IBGZPJMESA-N 427.505 0.398 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2c1 553454298 ZEVQPZVZNQUEGJ-SJORKVTESA-N 432.502 0.404 30 20 ICED CN1C(=O)NC2(CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)C1=O 553661098 KMPPYHMZRCFLCX-HNNXBMFYSA-N 430.534 0.473 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 578160108 AFZVALFAFWKWSV-LJQANCHMSA-N 438.488 0.579 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579769239 DFRDSUMBKIJIAR-AWEZNQCLSA-N 442.443 0.476 30 20 ICED CN(C(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1)C1CCCCC1 588125886 QJZGRAKBCCDDGA-UHFFFAOYSA-N 432.569 0.026 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 588765843 KNVWOIVJBDJOMB-CQSZACIVSA-N 425.493 0.658 30 20 ICED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 588794823 GOAXDBIMTWPJJT-UHFFFAOYSA-N 437.460 0.742 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 604169185 QSRFGKQNKXFISN-UHFFFAOYSA-N 446.467 0.890 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Cl)c2)c1=O 604269810 CZSPAGQXFLFSSJ-UHFFFAOYSA-N 430.917 0.433 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)cc1OC 609816321 GTWWGLPFAAIMLS-OAHLLOKOSA-N 438.506 0.791 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)CC1 615628701 CNNOYCQEGXDNBO-IBGZPJMESA-N 437.497 0.415 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)cc1F 618639164 BQSMBRQKYGDQHC-UHFFFAOYSA-N 444.532 0.963 30 20 ICED NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cc1 726398173 AUEMWAJWQKJJRF-HNNXBMFYSA-N 429.502 0.664 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233320 NHGQGQNMGMGOAX-JTQLQIEISA-N 439.270 0.144 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 728536036 FZLITIYFGFHBMG-UHFFFAOYSA-N 438.525 0.120 30 20 ICED CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 729061150 VGUPWEVGZNHPDC-UHFFFAOYSA-N 442.501 0.903 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)OCC(=O)NCC#N)cc2)cc1 731237904 RGMYHERHXLRWPQ-UHFFFAOYSA-N 444.469 0.920 30 20 ICED C#CCN1CCN(C(=O)CN(CCC(C)C)c2c(O)nc(=O)n(CCCC)c2N)CC1 746500044 RTHZHGSNFXMJAZ-UHFFFAOYSA-N 432.569 0.961 30 20 ICED CCN(C(=O)COC(=O)c1cc(C#N)c[nH]1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 748222316 GUPXUDHHDLUIQQ-UHFFFAOYSA-N 436.428 0.989 30 20 ICED C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749670088 LENMFMMFHPLICB-OETDOYICSA-N 433.494 0.234 30 20 ICED CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 749690789 JQURWZWDZNHGOW-JRCVOMKHSA-N 449.533 0.563 30 20 ICED C#CCN1CCN(C(=O)CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 754302329 KKUPVJLOEPEMTR-HDICACEKSA-N 434.562 0.674 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 754439610 YKMJYZMXAWJDCT-MRXNPFEDSA-N 429.477 0.416 30 20 ICED Cn1ncc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1N 754536641 XNSSVENMJZKUEH-UHFFFAOYSA-N 425.405 0.628 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 758115056 IUVPEJWLTDLVGW-UHFFFAOYSA-N 426.395 0.966 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cc(C)oc3C)c2=O)cn1 767960388 YWBMMFIHPHKKDV-UHFFFAOYSA-N 441.513 0.591 30 20 ICED C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843831 PFAYMEQYJKWKDR-CJNGLKHVSA-N 436.490 0.784 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(Cc3ccon3)c2=O)cn1 772309788 ALRIULCDOUDXRL-UHFFFAOYSA-N 448.464 0.656 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2nnn(C)n2)C1=O 783000656 JNZAOHVPKKUXQX-LLVKDONJSA-N 439.404 0.799 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 787780434 YFWCKUCZJPXDBK-UHFFFAOYSA-N 439.495 0.559 30 20 ICED Cn1cc(-c2ccc(=O)n(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)cn1 788362259 HNVPKNHHCKUODH-UHFFFAOYSA-N 439.501 0.479 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2CCCOC2)CC1 795908635 UJEJHCQXHZFJCK-MRXNPFEDSA-N 435.502 0.751 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 809309926 PUXNZADQOJKXAR-HZPDHXFCSA-N 441.456 0.095 30 20 ICED COC(=O)c1cccc2c1N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)[C@H](C)C(=O)N2 809321937 FDMFPAXABUDMTC-LLVKDONJSA-N 442.453 0.886 30 20 ICED C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812250816 FPEGTHKNZMMKIT-BBWFWOEESA-N 426.539 0.808 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 915477059 AGSIIRGNNIEVTM-LPMFXHHGSA-N 425.507 0.945 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 916199640 JSNRQMHLSXZPBD-UHFFFAOYSA-N 428.470 0.590 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918409195 IHYGSJDCSFNTEM-PYCFMQQDSA-N 435.550 0.991 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1299236801 PGOSAXWZHULQJL-SFHVURJKSA-N 437.504 0.780 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1313003925 MOHIBZBHSJPOAX-CALCHBBNSA-N 435.550 0.782 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1318597200 OKKFCXQJWDIXRU-UHFFFAOYSA-N 440.909 0.117 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 1319187329 MISTXECYLLATLW-RHSMWYFYSA-N 430.486 0.768 30 20 ICED COc1cc(Br)cc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1464112176 OOJCGHOOGKTFHK-UHFFFAOYSA-N 429.252 0.570 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1465804940 ZDUPLCWKDKLHBX-GASCZTMLSA-N 432.481 0.830 30 20 ICED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1472562677 PXGNTMPVJUUFLK-INIZCTEOSA-N 436.556 0.365 30 20 ICED CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1515945198 QSVOUOXFSKGPPT-MSOLQXFVSA-N 437.614 0.946 30 20 ICED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1547310027 PVQAXROSWHJWOC-UHFFFAOYSA-N 439.524 0.488 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1558677174 GDPJRTCMDSQSPZ-KRWDZBQOSA-N 428.470 0.978 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1598066226 YYJYXBBBXFRSRO-QGZVFWFLSA-N 444.941 0.054 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)o1 1654653321 OWEXWQRZIOHGQM-UHFFFAOYSA-N 443.552 0.309 30 20 ICED COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712453397 MLICEHFJNQKPDK-INIZCTEOSA-N 433.538 0.988 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712886475 UJQDWQVJPUKJGR-MRXNPFEDSA-N 440.439 0.878 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1750063403 OUFIKMPPGWZPEX-CQSZACIVSA-N 443.537 0.968 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@](C)(O)CCOC)CCOC1 1767473881 RPIOKCGAGWUHDE-VLCRHTCISA-N 448.568 0.894 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1768310753 BRJPQNPPHQHPHF-SSEXGKCCSA-N 430.534 0.880 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1778970046 DMWIIPQGRZFSNT-GAJHUEQPSA-N 442.516 0.983 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343168 FSBGBKYPRKXBJR-DYRFGFBLSA-N 443.504 0.227 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779363534 CEDQDJFKTCXENQ-SGECOUMVSA-N 442.582 0.407 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1781862314 ZKHLVTSSQMYXJK-YVEFUNNKSA-N 437.415 0.778 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCC1=O 1782192613 NDYXLHRTBKQDNY-JOCHJYFZSA-N 449.471 0.486 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1783766897 JDJWQIFBPODQBE-VFNWGFHPSA-N 448.524 0.728 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783896186 YHBHPZUNSRYTJH-AUSJPIAWSA-N 443.566 0.771 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783901817 ZMEVFBCMTDWMRT-NJSLBKSFSA-N 431.555 0.410 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784045944 QOKFZIUTPRKDIC-OPAMFIHVSA-N 426.473 0.293 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444221 IGFMETUOJFGDIW-QPSCCSFWSA-N 437.509 0.505 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1786642886 GXQADIYSSHKBSJ-IEZWGBDMSA-N 441.488 0.691 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1786859232 YYWKJZAETAXKAT-XIRDDKMYSA-N 443.504 0.685 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436666 MFQPYYVBTMRUFX-IHRRRGAJSA-N 432.420 0.586 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787521493 YMHKBGXLHBCMTC-RWXJZVIRSA-N 438.525 0.362 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788303788 JOCGACCLSXSEOQ-BQFCYCMXSA-N 441.488 0.832 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604157 RPKCDOZUMVOJKT-BBZGBDMWSA-N 441.532 0.851 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678706 LNEGWDZONHGDKX-GPXCTLJFSA-N 432.521 0.983 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)nn1C 1788679847 VBOJGZHBYJQERH-XPLYWSEASA-N 429.477 0.734 30 20 ICED O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790590339 KGQFJUUEZGCSNS-BJFWAEOESA-N 446.508 0.012 30 20 ICED C#CC(=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 1790793457 JEAKFIGFCVGPFS-VGWMRTNUSA-N 437.493 0.056 30 20 ICED O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791181524 DEBOOOUXJBSYDM-AQMMJQRQSA-N 430.505 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1cnn3C)C2 1792489112 HFBVOKNMONBDIT-VLTQWEFMSA-N 437.500 0.635 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793165328 BFVFFQINLDISQD-XUMLPFHTSA-N 426.473 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1793342234 BUTMDQAMLRBTKN-NFFDBFGFSA-N 426.395 0.737 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C(C)C)n1 1794002512 OTNZGPKYOZEWMO-CCWDJLKJSA-N 434.493 0.835 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794205580 NSLGGROIKRTJKA-YVSFHVDLSA-N 428.876 0.928 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H](NC)C(=O)O)C3)c(O)n1 1794489927 MWJJCYZTFYIHMQ-CSHUHZATSA-N 446.504 0.172 30 20 ICED COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797739780 DPOMDJXRDWEGGE-XGYUAAHDSA-N 444.532 0.790 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2 1797783844 PVWFIUBLNVHYHS-VPTLXERWSA-N 428.485 1.000 30 20 ICED 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#CC2CC2)C3)C1 1799195721 GRDGFBPJHVAJQL-VBRUWADQSA-N 447.532 0.217 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201430 PGIBHEFLXYSMSE-UGNRZPKXSA-N 444.532 0.772 30 20 ICED C=CC[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 1800491120 OLBFGKPPIXEVQR-KCTHJMFYSA-N 430.505 0.795 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2)n1cnnn1 1801436578 JQFVZOXKDVOZDP-VXIBKDFQSA-N 432.601 0.875 30 20 ICED C#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 1802124395 ABYVWMRHSRGHOI-DMUMMCEESA-N 429.517 0.906 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1802484321 ZOFYMVHPIMELFX-FGDQQNFXSA-N 425.489 0.224 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803512928 NGNACTVRDKYOFB-NHXGSGLFSA-N 449.577 0.994 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1806944586 OCRIULMCBAFTGY-ZTGQRINPSA-N 431.493 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2nnc(C)o2)[C@H]1c1cccnc1 1807466429 JRCJAXVYDUIBRD-GUEKAFECSA-N 438.488 0.880 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810347457 FWTBJDIRGHHGOC-NSAZKJPHSA-N 432.521 0.329 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820183981 IHTAURXILTZDQM-CEKUCVKPSA-N 449.533 0.065 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1820967085 NCFSVOLXCPCZDB-TZMCWYRMSA-N 433.469 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1829762602 MBSVESJUYIIHDL-WVUNDPPESA-N 435.521 0.260 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1829908018 VRZIDUMIRMREDZ-VGOFRKELSA-N 438.488 0.410 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1830053356 QDQRVJCKKOPSNN-NRFANRHFSA-N 426.477 0.437 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831449862 UOXQPPXHPQQDRT-FQEVSTJZSA-N 426.535 0.543 30 20 ICED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1833671522 WSUVWSKMATXCGQ-OKFCBPFISA-N 436.488 0.399 30 20 ICED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1834849623 IGJZFGINTRUNSZ-JOCHJYFZSA-N 430.457 0.172 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835104065 VEVWMWFGCBDGRU-QPPBQGQZSA-N 441.528 0.799 30 20 ICED NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1835121522 YXIKVARPIKDZLJ-ONEGZZNKSA-N 447.561 0.727 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](OC)c3ccccc3)CCO2)C1 1835277504 DZDVZESGMRRKHZ-QMHWCDLVSA-N 430.501 0.869 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835357033 WHTQIYYJUPLWEZ-JOCHJYFZSA-N 428.489 0.948 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4sc(C)cn4c3=O)CC2)CC1 1835407426 DQXBUCXTJLJRHN-UHFFFAOYSA-N 427.530 0.883 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835587340 DLGURAWOJBUNAL-HYVJGQCMSA-N 428.533 0.931 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835644231 UWMXJRXDNBKKGZ-NRFANRHFSA-N 445.545 0.574 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)c1 1835702141 INGUKHRYUZTJIG-UHFFFAOYSA-N 440.479 0.758 30 20 ICED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)s1 1835843668 VGKHBKGMZCEKPT-OAQYLSRUSA-N 448.545 0.494 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973284 AFDAEYRQIVHFKR-UYYUJSNXSA-N 449.895 0.705 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836823063 NHEHKWLNFILYFJ-MRXNPFEDSA-N 439.578 0.726 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297277 RHMPKBDOZXFPRR-XZOQPEGZSA-N 441.484 0.981 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1837394488 CAGSJKRVDLVMEQ-KKSFZXQISA-N 436.509 0.384 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837441934 JFQGHIKFPWMZFX-VCOZGABYSA-N 429.521 0.552 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445301 OTFGCLOAIOWEHP-LYBQEQRRSA-N 437.541 0.715 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525767 PEWGDKZYPGZACW-ZRDVYVFISA-N 441.525 0.379 30 20 ICED N[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccnc1 1837900266 RXPIZNYIAIYOHV-IBGZPJMESA-N 428.489 0.558 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838012660 SLLNRNARUARMSV-VBKZILBWSA-N 431.518 0.860 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5nccc45)C3)C2)c1 1838740757 SIXSGWRPGFUIQI-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1838904672 SRSZZQBUAZDMCM-GCJKJVERSA-N 426.473 0.154 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)cc1 1838953475 ZGKMXVHFCDEOAQ-HXUWFJFHSA-N 433.486 0.446 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421199 BEQGXGCGUXCHMC-IVZQSRNASA-N 444.463 0.458 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839877848 KAQWLJKNBLINLC-IZAYXBROSA-N 449.529 0.468 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(F)ccc3OC)CCO2)C1 1840248508 KTYGGWRRQMLXJF-GAJHUEQPSA-N 448.491 0.872 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361487 YHNVKMKYAAQHAZ-JPYJTQIMSA-N 446.548 0.954 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c1 1840466272 WBBNRHGUZTWBFF-QHCPKHFHSA-N 437.500 0.913 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840582887 JESYNFPZKLIGSS-WMZHIEFXSA-N 449.596 0.597 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c(F)c(Cl)c1)CCO2 1840755765 VCIDEAJBUGENSG-IBGZPJMESA-N 442.802 0.776 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840882038 BWJCYXXLCQPJNJ-YWZLYKJASA-N 430.567 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1841054809 GYSBQKSDDMROQB-SREVYHEPSA-N 442.428 0.999 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1841601564 RNHGQCKXTHUHIC-CQSZACIVSA-N 425.445 0.534 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)c1ccc(O)cc1 1848070587 IYJMPNRIXPHQLQ-WDSOQIARSA-N 438.484 0.643 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1=O 10854422 QCXLFNXDSSYJMM-CQSZACIVSA-N 436.515 0.179 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)C1=O 116308096 MMDCEUXSZOGJQZ-HZPDHXFCSA-N 428.489 0.889 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 428570017 HFIJRPCCNMDLGM-HNNXBMFYSA-N 426.518 0.798 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)c(OC)c3CC2)C1=O 432332689 ASZMXDVWJZSPRJ-UHFFFAOYSA-N 431.445 0.616 30 20 ICED COC(=O)CC1(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS(=O)(=O)CC1 439662677 KDFCKDIHWHDMHS-UHFFFAOYSA-N 449.464 1.515 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)n1 440379585 XOLWLXXQIRTYNJ-ZDUSSCGKSA-N 436.881 0.615 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)CC1 441205465 UWKIFUYEVGMFOB-UHFFFAOYSA-N 431.522 0.218 30 20 ICED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC1(O)CCOCC1 444752113 SRSCBUHSXBQWIQ-UHFFFAOYSA-N 429.477 0.928 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463341043 SMFHYNBYKNJHJP-UHFFFAOYSA-N 445.519 0.623 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)C1=O 464366586 MOHNZDQOFIKHPH-AWEZNQCLSA-N 446.891 0.919 30 20 ICED Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c1 468276242 BZUMRQOFTDYZSK-OAQYLSRUSA-N 444.513 0.313 30 20 ICED COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471039779 HGIYJZJROQDRGA-QGZVFWFLSA-N 442.472 0.999 30 20 ICED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)c(O)c1 474576103 GRXGTLSTYGOPQV-XIKOKIGWSA-N 447.469 0.970 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2C#N)CC1 474866819 GDNNOYJPWWKHDD-UHFFFAOYSA-N 435.462 0.435 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 475563369 BMCYAVRMOUBONJ-HNNXBMFYSA-N 448.588 0.835 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 478864167 ZEGBFHYSUHKQCE-JKSUJKDBSA-N 442.541 0.832 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 479898391 GXYLQPOKKZQQBA-INIZCTEOSA-N 435.550 0.238 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 500413356 GUMAOHJHMNFGLA-UHFFFAOYSA-N 448.526 0.493 30 20 ICED C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1 503718890 UOSZOQAMRKUZQZ-NSHDSACASA-N 427.490 0.869 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(=O)(=O)CC)CC1 508845350 NGASQCFSWMARMK-UHFFFAOYSA-N 443.533 0.850 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1C 514332284 WGBYIBIPMPUQRE-UHFFFAOYSA-N 442.360 0.927 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1Cl 517239490 QHWBFFWIHXNVJB-UHFFFAOYSA-N 441.922 0.765 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cn1 523861702 GAADDPQDFPAKPQ-UHFFFAOYSA-N 437.481 0.151 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1Cc1ccon1 530317872 CITRIVHLERHMKM-UHFFFAOYSA-N 446.492 0.689 30 20 ICED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377637 VPTARPVGNDYDPL-UHFFFAOYSA-N 436.534 0.748 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536606580 QWNQJBRLSKRSBF-QGZVFWFLSA-N 444.517 0.840 30 20 ICED N#CC(C(=O)c1cccc([N+](=O)[O-])c1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 539367140 WNYJDRSJULLVJX-UHFFFAOYSA-N 434.433 0.689 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 543753463 SCKQVCGCMFRYOO-AWEZNQCLSA-N 437.512 0.792 30 20 ICED CC[C@@H](CC#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 546568224 HHVVIKCCMUPPPW-KRWDZBQOSA-N 438.488 0.863 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H](O)COc1ccc3c(c1)CCC(=O)N3)CC2 550197367 NCAMYZVOJKHPNY-KRWDZBQOSA-N 434.452 0.888 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 550652851 HAGYSQUARVDWJD-UHFFFAOYSA-N 432.462 0.420 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 551562815 BLDWKPBRYAENSZ-UHFFFAOYSA-N 432.458 0.690 30 20 ICED Cn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cn1 553908860 AXXJXESTMYKZEJ-ITYGUNAYSA-N 446.602 0.996 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 554306512 ZECYJJYAFDGSBQ-UHFFFAOYSA-N 428.533 0.880 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 554768693 QGCDMEFGJALVTI-DNVCBOLYSA-N 430.505 0.644 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c1 555939347 MRCQYINXFKWKRV-UHFFFAOYSA-N 446.510 0.946 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 557475045 WKJDUAUMJBLERX-CJNGLKHVSA-N 443.485 0.399 30 20 ICED C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 579532885 RQGLWLQVDFPPIU-ROUUACIJSA-N 433.578 0.854 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 587216453 WHLHNPREFFUVPB-INIZCTEOSA-N 430.509 0.299 30 20 ICED CO[C@@H](C)c1nc(CN2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 588126888 UOJCSTVNGVDCCO-INIZCTEOSA-N 448.593 0.989 30 20 ICED CN1CCO[C@H]([C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 588127412 GFQYWOXIXCRHLG-RBUKOAKNSA-N 433.940 0.932 30 20 ICED COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588348082 XEEHWTMTGSHKTP-GOSISDBHSA-N 438.488 0.897 30 20 ICED COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588348083 XEEHWTMTGSHKTP-SFHVURJKSA-N 438.488 0.897 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C(F)(F)F)c1 603552674 AFUUQECZEJLKAV-UHFFFAOYSA-N 433.415 0.900 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604208616 VSRUDWWLWAOMHH-UHFFFAOYSA-N 436.472 0.964 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)cc1 604680347 FNSSJMUUMSRPCR-INIZCTEOSA-N 425.507 0.743 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1C 608783289 DJGGEYHJAIBYOT-KRWDZBQOSA-N 434.497 0.555 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 610805096 QNHZPENWRWNKTI-KDOFPFPSSA-N 433.534 0.166 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)Nc3ccc(C#N)cc3)cnc21 727222814 LPKNXNHBHLYNMW-UHFFFAOYSA-N 445.233 0.946 30 20 ICED N#Cc1c(CCCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nn(-c2ccc(F)cc2)c1N 730523465 BCNQCVOKUBFAFW-UHFFFAOYSA-N 435.423 0.599 30 20 ICED CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 739134818 DCZYJCKJKPTCDW-CQHJRZBDSA-N 442.563 0.668 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1=O 743392475 MSWRGYXOFOUKSU-INIZCTEOSA-N 435.525 0.833 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)NCc1cccnc1 743950898 ZUPNSENGSIPEFH-UHFFFAOYSA-N 429.502 0.723 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)ccc2OC)c1=O 758052620 RJFMXZBYOHLVGA-ZDUSSCGKSA-N 445.928 0.859 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758060512 FSVLIRAJWYZEMA-UHFFFAOYSA-N 436.472 0.292 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)cc2C)c1=O 758060706 JMQDOIYDAIKHFK-UHFFFAOYSA-N 434.565 0.827 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758090343 PYCIIPRHFWKEOQ-UHFFFAOYSA-N 441.509 0.134 30 20 ICED Cc1c(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cnn1C 759082043 KLEGVNKVSBITPQ-QJOMJCCJSA-N 432.506 0.796 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 763732644 CSKRLHCODHHDHA-MRXNPFEDSA-N 441.351 0.640 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nn1CCC#N 772262035 AVJLMURGVQUYEF-UHFFFAOYSA-N 425.449 0.608 30 20 ICED CCOC(=O)CON=C(C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1)c1cc[nH]n1 772274758 HXDHNWJIEOUTSU-HNNXBMFYSA-N 449.489 0.304 30 20 ICED COCCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 773251372 OUOMGBOPEIGEJA-UHFFFAOYSA-N 435.502 0.751 30 20 ICED CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 773308235 GSTFFFUTWUQZSP-UHFFFAOYSA-N 438.506 0.590 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 783482026 ZOQVJYGWCKLOEO-BBWFWOEESA-N 433.530 0.888 30 20 ICED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 808169532 XAHYVCZAYLDZMC-VLIAUNLRSA-N 429.481 0.470 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)[C@@H]1CCCO1 809310969 FCHWOEOGHLPPSO-ROUUACIJSA-N 445.516 0.654 30 20 ICED COCC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916693010 LACHHFSCQFVBAG-FXBPSFAMSA-N 437.522 0.822 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1288526817 YTBJWWXPHNIXEA-GDBMZVCRSA-N 426.543 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1288808949 ZJLJHYFQYHOSAH-GJZGRUSLSA-N 425.559 0.349 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314941368 HYCHAOZCDXKCOH-GDBMZVCRSA-N 449.581 0.129 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1503407370 MXSRNWVSMLTZEZ-QGZVFWFLSA-N 445.505 0.349 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)[C@H](C)C1 1508243353 SERJUEKVXUEMNI-OAHLLOKOSA-N 445.549 0.765 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1510156847 LSFOXWWMCDICEQ-YOEHRIQHSA-N 434.522 0.812 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1517577727 WVJPGAKVSKLTBX-QGZVFWFLSA-N 445.549 0.813 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1554441777 JCDTXBGPMZWQRR-RDJZCZTQSA-N 444.517 0.203 30 20 ICED CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1597338449 XJTYLWSQSCKTDG-OAHLLOKOSA-N 442.611 0.974 30 20 ICED CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1618718863 STLOEEYOGNUULC-UHFFFAOYSA-N 445.549 0.718 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)CN3CCOCC3)CC2)c1C#N 1742669303 LOPZTHUEPUOEMN-MRXNPFEDSA-N 427.557 0.795 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778055158 YSZBVTZHGNIGQM-NRFANRHFSA-N 435.444 0.318 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060767 KLWFYJYITOOEDI-DYESRHJHSA-N 440.562 0.196 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779102181 DQCVDQIZAIVYMA-PQHGJFDPSA-N 442.476 0.702 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1)C(F)(F)F 1779244511 OXHOJJXPCBZDQH-SJKOYZFVSA-N 430.431 0.952 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781349996 VEEJQMJJNUCQDM-JTSKRJEESA-N 435.521 0.505 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486197 NYEOYSXQBIKRFY-GSHUGGBRSA-N 432.521 0.330 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814599 PWKJSTIWEBMBHI-OAQYLSRUSA-N 434.445 0.756 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1781959968 AADQKLHHTSEBCC-JOCHJYFZSA-N 437.431 0.949 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782452851 UCADTHVSCKWGRT-DYESRHJHSA-N 433.509 0.692 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1783558522 RGKRVWUXNMKRFQ-NRFANRHFSA-N 440.412 0.467 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783611348 MFSQAONQPCGBOE-ZMPRRUGASA-N 448.520 0.490 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1784282166 YCFWXZJQUNYROM-PWPXAWQVSA-N 426.517 0.949 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(O)nc(O)c1 1787293306 KCUBYIHAROOAJS-NMWHZSIXSA-N 448.476 0.615 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787495806 RFFSSCZXCFGHMP-XSEXMBABSA-N 440.591 0.688 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832094 NYAZJACPQHWFFM-KBMWQNTOSA-N 441.532 0.788 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797464125 QWHAWRDRINGJQM-HGKCTWBKSA-N 427.461 0.442 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)N1C[C@H]2C[C@@H]2C1 1797636147 WDYRBRAMKZMABZ-VKTDOMNUSA-N 429.561 0.615 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740883 ACZMOSBYEDIUBE-AYWDWDCISA-N 428.537 0.943 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c(=O)[nH]c1C 1797780937 QDHKDVBMPQGDBC-IZZQQSIFSA-N 442.516 0.289 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1797838357 UODIUMYZMFYAFE-TVBFOXHISA-N 426.429 0.726 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3cccn3)nc2)c1 1798213600 BDBAFXIOVVESLH-XEMDLRDOSA-N 431.456 0.984 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)cc1 1800984012 DUWMLIIVLXJKAP-AFIMGQEJSA-N 426.560 0.677 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)c1 1801761713 LICGILKMNQNPFN-XUMLPFHTSA-N 427.505 0.788 30 20 ICED CCOC(=O)c1ncn2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)ccc12 1801988448 CCCAZHNKQXJKTP-MUJYYYPQSA-N 438.440 0.851 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993358 QQCZCYGEWCCJOT-JKJDWNRSSA-N 435.477 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCN(C)C(C)=O)[C@H]1c1cccnc1 1804062744 SLOJRUYUZGXQNL-VZVPXEAQSA-N 441.532 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 1804856161 RYANXJIQPHYUGL-PLNGDYQASA-N 440.504 0.279 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)COc3ccc(O)nn3)CC2)C1 1804858007 FGAFIXXMWHUUQH-ALCCZGGFSA-N 443.504 0.651 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806275210 HCXLYNDFEYMTOH-RYRKJORJSA-N 431.493 0.887 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1810350341 AHJVVMWAYRTDGE-DPLHUUCSSA-N 449.511 0.923 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810357505 QVHQKMOOFMHDIE-NPARIDPTSA-N 442.480 0.303 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)CCOCCOCCOCCOC)[C@H]1c1cccnc1 1812530140 RYFBFBQDEWBWES-OFNKIYASSA-N 447.532 0.807 30 20 ICED Cc1cc(C(=O)NCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)no1 1819468674 PRWYFMRZTDQGHK-CQSZACIVSA-N 428.405 0.216 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1829765259 PNWMMFZJEXXVQE-UFTUAFODSA-N 443.500 0.380 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CNCP(=O)(O)O)CC2)c1 1829774837 BMKFCUWFKMJWNV-QGZVFWFLSA-N 437.437 0.844 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831388609 VBENHCAMGZLZGK-FDDCHVKYSA-N 425.485 0.595 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1831402982 UXYWZWJOTZIMKB-XXBNENTESA-N 429.517 0.899 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831425819 DZIDLRBRMCUGFE-WMZHIEFXSA-N 434.533 0.733 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831484747 CTFBHXSNQLRQHW-CTNGQTDRSA-N 441.594 0.800 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1)C(F)(F)F 1832426189 SYXJRLUKFFDCFW-IBGZPJMESA-N 447.454 0.964 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833199495 BLTBJEWKFHWFFB-KKSFZXQISA-N 426.477 0.489 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833272843 VDSNQWGLQYZAOF-QGZVFWFLSA-N 437.541 0.357 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c(Cl)c1 1835066991 ITUGGRPJSIAWIU-IBGZPJMESA-N 432.956 0.683 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835806279 ABAGBODHBOKCJR-IFXJQAMLSA-N 439.538 0.905 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977869 PIKIAJLZIRAKHG-CVDCTZTESA-N 446.548 0.863 30 20 ICED CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392165 OXGYREOSLMPSSK-JJIBRWJFSA-N 435.569 0.983 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838598076 MKLHGYUYZVMGIG-FQEVSTJZSA-N 434.880 0.418 30 20 ICED CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1C 1838737920 FSHSBDYOSCILTQ-NRFANRHFSA-N 426.477 0.795 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756083 SUAATNCPWGWRHQ-IERDGZPVSA-N 433.509 0.141 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204095 HMSSKLNSLYFVMD-IIBYNOLFSA-N 441.525 0.295 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839415198 VZZXYLGAUKQMRH-XIKOKIGWSA-N 425.463 0.689 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839429328 GWPVESITFJZOJC-FQEVSTJZSA-N 449.391 0.200 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452289 TZWNRWHBLZXDRY-PGRDOPGGSA-N 443.504 0.384 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1839811060 DKTPQNFFQJFKNE-QFIPXVFZSA-N 433.505 0.643 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840040779 XYUYIKIVLYFRSY-JOCHJYFZSA-N 425.441 0.035 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061995 HAFWWLAHQNSMPG-HSZRJFAPSA-N 443.500 0.556 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H]3CCOC3)CCO4)c2c1 1840538944 YPVMGRXVYZSOBI-ZHRRBRCNSA-N 439.472 0.541 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813598 IPHWPWARANBOLQ-OAQYLSRUSA-N 431.493 0.293 30 20 ICED Cn1nc2c(c1C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)CCC2 1840815198 CDLCZBDJMFPDKC-QFIPXVFZSA-N 427.505 0.673 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840819810 GOGCOZRKTXESSZ-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1841054678 CNNMUHZLORIYME-FFELTBSMSA-N 426.473 0.514 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841115834 RVFHGYRMGIUWCP-CVEARBPZSA-N 432.521 0.633 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](C)CS(C)(=O)=O)C2)c(C#N)c1 1841618472 FANLJRAMOWMXBU-HNNXBMFYSA-N 433.530 0.993 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844332908 RFJWRJCBSVWFOQ-KRWDZBQOSA-N 439.516 0.497 30 20 ICED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 428803242 LDDALUNCJUIXHW-OALUTQOASA-N 437.541 0.500 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@](=O)C1 433256463 PFGNLMZVPUWGIG-OLRZCDJHSA-N 438.575 0.092 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CC2)c1=O 478844604 KXQWASLERQJCCT-MRXNPFEDSA-N 427.530 0.820 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n1 486512097 JUJVLJRJOIWSDN-MSOLQXFVSA-N 435.488 0.887 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCN3CCCC3)cc2)CC1 491204152 WPUHQYAKPWDOEV-UHFFFAOYSA-N 427.549 0.710 30 20 ICED N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 506139100 WADFJSQMCDQTOP-UHFFFAOYSA-N 426.545 0.774 30 20 ICED C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508460082 AAYDBIAKTFYQHU-UHFFFAOYSA-N 425.449 0.967 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 515986868 GLWLQMXMKNCICM-UHFFFAOYSA-N 441.513 0.937 30 20 ICED COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OCC(N)=O 517493557 HBHOHVUQLPVIKD-UHFFFAOYSA-N 432.458 0.922 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n(C)c1=O 521037187 HCLQLDRFKCAFSI-AWEZNQCLSA-N 439.451 0.230 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 522997793 PJJMSOYBJHKNGZ-KBPBESRZSA-N 428.445 0.851 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOCC 523090275 VUEDWSKQJSIQKA-UHFFFAOYSA-N 443.525 0.769 30 20 ICED N#Cc1ccccc1N1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 532964086 XWTBFTUFZHHSCU-HXUWFJFHSA-N 445.589 0.402 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 533357552 UHQIPHUWTKMMHK-UHFFFAOYSA-N 430.472 0.999 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)n1 545489051 FVECYOZDOZFBMS-MRXNPFEDSA-N 446.467 0.446 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2O1 545497839 UEZDHJLPXPKNMR-SFHVURJKSA-N 435.440 0.569 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 550204200 DTLLDQSPLYOFSF-IRXDYDNUSA-N 428.537 0.606 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 553646239 ZAQWYUWRORDVRM-UHFFFAOYSA-N 436.490 0.005 30 20 ICED CCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 556992020 DGRJFVUXSXHWCF-UHFFFAOYSA-N 425.493 0.749 30 20 ICED COc1ccc(CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1S(N)(=O)=O 558210800 QSGSZFZMZUDAPF-UHFFFAOYSA-N 441.473 1.425 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558560093 RCRXKECAJORSOJ-MRXNPFEDSA-N 431.474 0.753 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)O)cc1 566611912 QMSRHEXTKKZOLV-UZLBHIALSA-N 443.529 0.638 30 20 ICED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 570324702 XMAIACXJRITCFS-UHFFFAOYSA-N 428.474 0.757 30 20 ICED CNC(=O)C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 582506517 IALWQSOCQPZJDT-WOJBJXKFSA-N 447.495 0.769 30 20 ICED C=CCSCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 586812875 OYGCJRDRZMLMHB-INIZCTEOSA-N 434.566 0.434 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 590897643 HXJOQOTVOVKBCJ-ZDUSSCGKSA-N 428.470 0.658 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1C1CC1 590997524 YSQXVYCSCWSELJ-UHFFFAOYSA-N 443.525 0.918 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726000201 NAUTYWQVARBPTC-UXHICEINSA-N 438.484 0.950 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O 729672923 OQKKCRCWCBZJNO-UHFFFAOYSA-N 436.559 0.196 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 729675020 QKJVIWIERJQKAC-UHFFFAOYSA-N 427.429 1.000 30 20 ICED CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 732910501 QOHWATSXFJGKJZ-JKSUJKDBSA-N 425.894 0.873 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2occc2Br)c1=O 735294748 IHOVEDRJTCLREA-UHFFFAOYSA-N 440.319 0.941 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1=O 740856261 PIAZLNQIEYHKIP-HOTGVXAUSA-N 435.525 0.736 30 20 ICED NC(=NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCO2 753830279 PZPREDUZSGXXCH-UHFFFAOYSA-N 444.513 0.792 30 20 ICED C#CCN1CCC[C@@H]1COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 756545829 VPYLDYBJSWPVJO-SJLPKXTDSA-N 442.559 0.409 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)c1 778205998 FZTNIBLDWIGIGU-XQNSMLJCSA-N 435.506 0.080 30 20 ICED C#CCOc1cccc(Cl)c1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 779157963 LOONUVZQIXHDOI-INIZCTEOSA-N 439.965 0.773 30 20 ICED CN(Cc1nccn1C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 782965848 JVWUIVUPZHUSJT-JWGURIENSA-N 432.506 0.830 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 783350354 KFOLDMJEPQJKGH-UHFFFAOYSA-N 435.424 0.863 30 20 ICED CN1CCN([C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)c2cccs2)CC1 787754189 LYWGDJDVLREHFX-QGZVFWFLSA-N 441.561 0.648 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O 788390009 YUGUOFXPDIAAQZ-PXNSSMCTSA-N 431.518 0.783 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(-c3ccsc3)c2=O)cn1 790438649 PWLJXQYZNGQWIN-UHFFFAOYSA-N 443.579 0.772 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 793203227 BETZUQCBOWCRJJ-UHFFFAOYSA-N 441.531 0.390 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CC(C)(C)OC1=O 795682106 FXRBGBVZULKMGG-INIZCTEOSA-N 434.518 0.417 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)cc1 799846022 FGOGWGJHWUUBNF-USPYDQLOSA-N 440.547 0.465 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 800365161 UWCPQUXSRVZJDJ-KGLIPLIRSA-N 427.548 0.929 30 20 ICED N#Cc1cnn(-c2ccccc2NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1N 808059819 GUIMCCLDZODBPE-CYBMUJFWSA-N 441.473 0.430 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1C#N 809502200 JIMFMPAIAMWVPA-UHFFFAOYSA-N 441.532 0.776 30 20 ICED CC(C)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N(C)C)C1 820419735 UASOHHRRXOCKIJ-WBVHZDCISA-N 449.577 0.419 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 914760598 ZYDNUJTZDIFKKG-UHFFFAOYSA-N 426.454 0.902 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915374017 SDBILWSSWSCGAZ-UHFFFAOYSA-N 447.473 0.268 30 20 ICED COCCn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 918447169 CQEDGBHWGQXONI-HAVVHWLPSA-N 448.505 0.920 30 20 ICED C=CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCS(=O)(=O)C1 919989644 QCDYWCBKKUSOOU-JTQLQIEISA-N 437.337 0.912 30 20 ICED CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1296222379 REAHWEOKDUUWNL-AWEZNQCLSA-N 436.476 0.540 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1299303021 OHQXCFUPYGUXTQ-CYBMUJFWSA-N 440.551 0.235 30 20 ICED CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCOC1 1314081893 KTACJRCTVMNYJI-FQEVSTJZSA-N 448.549 0.987 30 20 ICED CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315049571 OUYAZLCOURKHKA-CABCVRRESA-N 425.497 0.295 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cs1 1321061251 ORMQIHAWHMSSDS-MSUUIHNZSA-N 439.519 0.201 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1463732587 JVUKCOKATLLTJH-BBWFWOEESA-N 444.554 0.850 30 20 ICED CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1505121442 QJTFMNVJLJYSPC-UHFFFAOYSA-N 430.490 0.242 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1511362172 IYWIDBNUWBMICO-RDJZCZTQSA-N 447.521 0.092 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1516168485 HZCVAPZASBWQNC-LJQANCHMSA-N 440.570 0.952 30 20 ICED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1552730302 UKGDNZGVUYKPNJ-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1569500883 ABKLUHGJVORJJH-UKRRQHHQSA-N 433.511 0.912 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1596832548 WKMZMSZJUNPXEA-GOEBONIOSA-N 426.543 0.633 30 20 ICED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1613612401 MICCWKMBNYUQIL-NUEKZKHPSA-N 425.559 0.490 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1616142153 KMRLXQZRHCTDSQ-MDZRGWNJSA-N 440.570 0.950 30 20 ICED CN(C)S(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1766947026 TZHBVHVFBZLQNV-QGZVFWFLSA-N 434.522 0.520 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1769071367 ZLTFBUYSVPHWHM-MRXNPFEDSA-N 428.518 0.920 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103737 YCCBGNSNWWXVIC-UNYFFVJDSA-N 438.525 0.650 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779202532 VGJVLSDQNNXIRL-MHTGZXFVSA-N 445.476 0.379 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)no1 1779420572 WJXZINZVDWVLPS-ZRLKZUIBSA-N 449.508 0.963 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781785627 XBFDJQKYROLWPU-HRAATJIYSA-N 433.530 0.877 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1782647369 QZINNBGXHJZLGB-OAQYLSRUSA-N 429.546 0.794 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809131 UYUUWJAQPDCHCC-UMXIMWEHSA-N 437.540 0.865 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782951578 BSVSSWGDQWQASR-KNQAVFIVSA-N 445.541 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]21 1783530620 LTSQBHJRZXKLDJ-GRNXDFJHSA-N 438.488 0.410 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@H]34)C2)C1 1783544472 NFPZTAFADCSIQR-FIQUECFISA-N 433.505 0.474 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783904881 IUJRQWJWRMQHSD-OYHNWAKOSA-N 428.489 0.626 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785170429 RGGXYARLRISZOH-WNHJNPCNSA-N 445.520 0.592 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)CC1 1786795761 OWTQKGGNEJKZOX-ULQDDVLXSA-N 449.552 0.466 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788564906 NVAOPVCAGYHZMH-XGQSXTOZSA-N 433.509 0.386 30 20 ICED C=CC(=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 1788755765 UQLCUHAMGOZTFT-CQEAQJRCSA-N 442.491 0.910 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790237870 ZHZMHKIDOWFMOD-XEZPLFJOSA-N 433.392 0.724 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1790879958 IAUKYLIEDOZTJR-OWSLCNJRSA-N 428.524 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1C(F)F)C2 1792489748 OLHJZTFNUWTDHR-OLDVJPBNSA-N 437.447 0.648 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795407969 GQBMHOYHYUTLMQ-HGKCTWBKSA-N 431.514 0.662 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815291 MPRFLUHXUZWURQ-PEQOSZPBSA-N 433.509 0.688 30 20 ICED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1800364481 VVRJVGQXAFQDPV-IJOJXHKHSA-N 437.493 0.448 30 20 ICED 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]3CCO[C@@H]31)C2 1800454922 RKMWIWRSRGDKLU-VEXWFWOFSA-N 447.532 0.481 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190039 CGCIDBMMSVVJRO-WMLDXEAASA-N 435.431 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2CCN(C)CC2)[C@@H]1c1cccnc1 1806911281 LWPJMQWKHLVAQM-LSWJPFSZSA-N 441.576 0.763 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807004108 JLTDGHRHGVUSNN-WBVHZDCISA-N 431.566 0.996 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807111674 CYFRJZVZSOBHIA-MJGOQNOKSA-N 440.552 0.209 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807112465 KUUZXFUOLALHBK-NQIIRXRSSA-N 428.537 0.910 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807697815 YRJGFLJWFACWFV-HMNATIFRSA-N 425.489 0.522 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCNC(C)=O)[C@H]1c1cccnc1 1812654722 MBRYDOUFTDNVQH-YTWXUOMVSA-N 427.505 0.472 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813172817 IHGOXMDKMIXEPX-KKSFZXQISA-N 428.514 0.932 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCN2C(=O)OCc1ccccc1 1829228282 XTUBZQKOSXHQOW-JOCHJYFZSA-N 429.473 0.081 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829228317 RNOPIIGZRLZBDT-JTSKRJEESA-N 426.473 0.206 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628821 WQIQZSGKFGDNAR-YADARESESA-N 439.512 0.986 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)C1 1829669480 ZWYFSCPXVGNJES-QFIPXVFZSA-N 443.504 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3)C2)C1 1829773466 KJCQBOBNCOKJNW-YTWXUOMVSA-N 430.505 0.364 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)cc1 1829902099 HJIJNZJPUWWGTK-ISKFKSNPSA-N 449.511 0.652 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1830459342 VKTKBMPMYYSUKU-JOCHJYFZSA-N 438.488 0.239 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1830460445 LHMOGCJXJGAFIU-QHCPKHFHSA-N 437.500 0.913 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1831139724 ZJESZGSENBGWEN-QFIPXVFZSA-N 448.520 0.924 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208597 OBTMMKSHRSDTJZ-MBSDFSHPSA-N 447.532 0.866 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)c3N)C2)C1 1831392484 DXDNUAGKFVDXDQ-KSFYIVLOSA-N 433.480 0.825 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3F)C2)C1 1831398403 AQGKFVKALPPNEC-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831426442 LUUHJJUFEQPWEX-JTSKRJEESA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831487799 SAMZGHWHUGETHJ-FXAWDEMLSA-N 433.534 0.982 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831490929 PICWXEVRWQDCFV-JXFKEZNVSA-N 433.534 0.754 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831993967 OLTWTWNLNWWIKZ-IIBYNOLFSA-N 441.525 0.976 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)nn3C)CC2)CC1 1833073818 IOJFAQIWZFZSLL-WAYWQWQTSA-N 442.564 0.772 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833391073 OLTANQAHLCOCPD-QFIPXVFZSA-N 430.505 0.650 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833472823 HRTUZAASKXIIOG-SJORKVTESA-N 443.610 0.830 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833705023 XMRPLKYPGHEJSE-INIZCTEOSA-N 437.566 0.075 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834475746 ZTKQAHKVBPPSPE-OAQYLSRUSA-N 433.484 0.573 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)no1 1834604536 BXGNAKKAIRBQJJ-UHFFFAOYSA-N 430.509 0.588 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1835354701 XABJOWSJOOYIBX-OAQYLSRUSA-N 449.529 0.611 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376600 AQWNUCPRNZGMHL-IGPUNGKJSA-N 432.521 0.641 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672691 HSIVAMDCXYGOHJ-JOCHJYFZSA-N 429.521 0.742 30 20 ICED CC(C)n1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835679822 AHPXLYAMVZZVCH-QFIPXVFZSA-N 446.552 0.816 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(F)cc34)CCO2)C1 1837039625 UUGXDTAWHQZGLF-NYHFZMIOSA-N 444.463 0.810 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837171401 NCLFTBHLRAYMOJ-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1837403783 QQRBKTAXRCEKLP-MBSDFSHPSA-N 446.548 0.552 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837453347 ZSOJFEKFSMYVKE-JTSKRJEESA-N 449.504 0.881 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nc2)CCO3)cc1 1838644507 LHEWDJOLEXDRDI-HSZRJFAPSA-N 436.468 0.972 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1838661550 JVIPLLNYSPTYLI-RTAJLIBNSA-N 435.481 0.317 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)cn4)C3)C2)c1 1838735922 BGWUZQVBNOXYRA-OAQYLSRUSA-N 427.436 0.733 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4snnc4C4CC4)C3)C2)c1 1838736223 RIHXUFRAKDIETJ-HXUWFJFHSA-N 442.501 0.999 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037381 ITGSXPTUMKCXCU-UZUQRXQVSA-N 445.491 0.814 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361530 PWVLUVLQKITFNM-OPAMFIHVSA-N 428.489 0.334 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1839454097 UHTBMGPIGYSLEC-JPYJTQIMSA-N 440.500 0.463 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840851112 JZTRZHAZXSKUQL-SIKLNZKXSA-N 439.553 0.730 30 20 ICED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 17110213 MIAIIFQIRLCMCP-JTQLQIEISA-N 444.835 0.529 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 410388736 RQMHMBYDHRKDFB-RBSFLKMASA-N 430.527 0.012 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1F 427118736 AVEDUVUHPMRDDN-UHFFFAOYSA-N 438.462 0.619 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c(F)c1 433533268 JMYSWZUUSLATCN-UHFFFAOYSA-N 437.497 0.901 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 435658096 ZIPQUKAJTNLRIT-LLVKDONJSA-N 447.448 0.687 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)cc1 443684351 AOKMQKZPXUBZIK-UHFFFAOYSA-N 441.922 0.884 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444508572 RANASDKPGVTIRO-OAHLLOKOSA-N 441.467 1.046 30 20 ICED COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1OCC(N)=O 465184009 BMCUFZUWMYYBPZ-ZDUSSCGKSA-N 440.460 0.580 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465195344 RPHWZJYQSYTZOQ-TZMCWYRMSA-N 446.537 0.103 30 20 ICED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474582227 FCMJILQIQULPJL-KZULUSFZSA-N 447.469 0.970 30 20 ICED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 477644401 RXMLZAOEXMFOGU-UHFFFAOYSA-N 438.492 0.789 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480108779 LLVGIOOUPBCWJZ-CVEARBPZSA-N 435.550 0.284 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2C)CC1 480217286 UBDUPBBPDPUVGA-UHFFFAOYSA-N 427.486 0.022 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cc1C#N 480929527 BICBCSMRUGYQNT-UHFFFAOYSA-N 449.492 0.854 30 20 ICED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 488772743 UTVREDFZERKMBY-UHFFFAOYSA-N 427.895 0.975 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)cc1 491212034 GIINHDNSZTUYIQ-UHFFFAOYSA-N 445.473 0.715 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 491236245 MPTRWBPRWSJQML-UHFFFAOYSA-N 447.923 0.617 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccn2)c1=O 505665804 RXPRSTNQTNDPRR-UHFFFAOYSA-N 434.525 0.371 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508848330 MVYYYNOKWBSYJD-UHFFFAOYSA-N 434.508 0.507 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 517557694 QIFCUGJRYCCNHY-UHFFFAOYSA-N 436.468 0.695 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 517886046 QKCCJLINCJJFNG-SJORKVTESA-N 442.559 0.959 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 527089142 TXGJCIONKVIECG-UHFFFAOYSA-N 427.465 0.408 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)s2)c1=O 531130743 VCFJNFONYUDUEI-UHFFFAOYSA-N 446.554 0.535 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 532893940 IQVZVPICOCENDL-DKTYTTGXSA-N 433.553 0.309 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 542438785 CDUJIVHPSVVWLH-KXBFYZLASA-N 441.513 0.927 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 550471368 JEBUHOTVGBALBA-UHFFFAOYSA-N 448.526 0.370 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)C2)nc1 553244625 WYOIUIRXMKNGOW-CQSZACIVSA-N 437.441 0.658 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 555771776 GVVMBLPKVDJOOR-UHFFFAOYSA-N 434.518 0.346 30 20 ICED COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N(C)C 559384893 DOFJOQGRINTXAQ-KRWDZBQOSA-N 427.509 0.682 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 576870113 OMEOVOQXIPNJAJ-CQSZACIVSA-N 442.501 0.566 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 579296404 WVTLGYOGDDFVFM-CQSZACIVSA-N 429.458 0.834 30 20 ICED CNC(=O)CC1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 580117139 CSSPNUVMTLINBO-SFHVURJKSA-N 425.489 0.545 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nccn1CCc1ccccc1 584255976 FHCPPRHGJKNCNV-UHFFFAOYSA-N 434.504 1.010 30 20 ICED COC[C@@H](C)NC(=O)NC(=O)Cn1cc(I)c(C)c(C#N)c1=O 589257511 MYZKYNZDUUYNTJ-MRVPVSSYSA-N 432.218 0.494 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CCCSC 603998502 VRAVBVLDRRPPLP-UHFFFAOYSA-N 447.582 0.937 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 609920264 DPSPGOGKBUAVIL-UHFFFAOYSA-N 425.537 0.729 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)cc1 609956246 SNZZQEARKINSQM-HNNXBMFYSA-N 446.533 0.710 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)o1 726661384 NZQVCNSIPWXUQD-UHFFFAOYSA-N 431.409 0.587 30 20 ICED C[C@H](CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742583898 SIJPCYWPAIRUBM-CYBMUJFWSA-N 442.563 0.386 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)N(C)CCC#N 744589852 URQNVCYDEWYCOH-OYHNWAKOSA-N 442.472 0.916 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 746390937 LRLIIFZKJDQBKH-UHFFFAOYSA-N 430.490 0.836 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)c1 747442235 QTSMSDRKRZZMGH-MRXNPFEDSA-N 439.584 0.689 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nc(CC(=O)NC)no1 750321812 WDFWKNKIPSZZJR-NRFANRHFSA-N 439.428 0.566 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359360 POFGMIRGVBZDSQ-UHFFFAOYSA-N 432.502 0.090 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1F 753788997 ZTSXIUPJLWAVKU-UHFFFAOYSA-N 445.538 0.976 30 20 ICED Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1-n1cnnn1 755538890 WNGGEAUWMQTYLC-DZGCQCFKSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(CC)c2)c1=O 758060143 ZWVOAEJSXQDFJF-UHFFFAOYSA-N 433.493 0.910 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2Cl)c1=O 758077174 SDVFEDNSPYGTHZ-UHFFFAOYSA-N 431.876 0.697 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758078554 PHFBGUSTQJKDRW-UHFFFAOYSA-N 425.466 0.310 30 20 ICED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1 763322282 BZDXTUCFRRBRHQ-UHFFFAOYSA-N 435.527 0.847 30 20 ICED COc1cc([C@@H](C#N)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc(OC)c1OC 768140181 DWMQWMKOELGLHE-CQSZACIVSA-N 432.458 0.891 30 20 ICED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 782007462 YEGJNSZMNDRUOI-UHFFFAOYSA-N 443.476 0.965 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C1CC1 782677143 PMACGPNHYLKJLS-UHFFFAOYSA-N 434.319 0.546 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)n1 793069600 RHSSFSWBHPQCIF-UHFFFAOYSA-N 427.436 0.555 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800777754 VDSDMMSRDZSOMJ-INIZCTEOSA-N 430.575 0.897 30 20 ICED COCCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC)CC1 802435080 NPLKRSXHVVJHHX-UHFFFAOYSA-N 448.549 0.951 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCCCC4)O3)C2=O)cc1 806692869 JBRBCJNVHILGJZ-RBUKOAKNSA-N 440.500 0.967 30 20 ICED COCC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810468164 CYZCSRQHKXBQOR-GBPUDXIESA-N 440.522 0.606 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249443 PLZLMFACOSLNCD-UHFFFAOYSA-N 439.488 0.293 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 893441323 HAFXVGRRMMQVRN-CYBMUJFWSA-N 425.463 0.265 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917355043 LSEFKBZXJPLKRG-UHFFFAOYSA-N 442.589 0.337 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1286542435 VEZDJHYRIVJIMC-LLVKDONJSA-N 441.373 0.570 30 20 ICED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301052473 ZIIWIGHWTNOTJT-CYBMUJFWSA-N 433.904 0.685 30 20 ICED CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503817172 PRCATGVXLLEIHE-UHFFFAOYSA-N 431.504 0.993 30 20 ICED CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1508817430 UYVVSQJELMQIRC-UHFFFAOYSA-N 433.538 0.574 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCS1(=O)=O 1583772616 PEUOVTVQPKWOPS-OAHLLOKOSA-N 442.563 0.292 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1613588198 AULAEQQQIFTSLZ-PGRDOPGGSA-N 444.584 0.440 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1648043789 VBIDCUUSLYWSIP-RBUKOAKNSA-N 437.541 0.678 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(C(F)(F)F)n2)CC1 1653080251 HSKOHXSGTDUWCK-UHFFFAOYSA-N 429.384 0.097 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1709902750 YLBDYAKDEJFLQR-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1723563042 MKQXPXAPZJTWSK-UHFFFAOYSA-N 445.549 0.960 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1723590883 NMODXLGCXRHPSM-HRAATJIYSA-N 448.547 0.801 30 20 ICED C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1761428591 WDVVGAZNXSWBCQ-OAGGEKHMSA-N 425.559 0.349 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1779330637 OINVGLKIBHRZOS-BZLDKRAPSA-N 444.594 0.754 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1779339084 AWEZNKIOJDYKTN-VYXDICFBSA-N 440.537 0.689 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1780192658 DUWLTHCJPDWTAT-BFUOFWGJSA-N 429.868 0.903 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1ccnn1 1781545345 JCMQNYGSOATAKZ-CSODHUTKSA-N 431.541 0.635 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(OC)c3)C[C@@H]21 1783531563 WNTIQRFPRJXYET-XQFGLIHHSA-N 443.500 0.853 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1784021750 KPOSVABLVFKQLA-UZUQRXQVSA-N 438.484 0.595 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)N(C(=O)OC(C)(C)C)C1 1784090508 USSLZEMSXFSBID-JLHGSKIFSA-N 436.553 0.977 30 20 ICED COc1cc(N2CCC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CC2)ncn1 1784241992 QZVFOAFJYKCNDD-BZSNNMDCSA-N 442.520 0.595 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785545573 ZVLJZAYMNRKHJO-SCLBCKFNSA-N 442.563 0.478 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1785578033 UJXJCLWDYSXNNL-SZNDQCEHSA-N 448.476 0.740 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661384 OSJUEPRKWRUDIT-XXFKLHPPSA-N 443.566 0.609 30 20 ICED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccccc1 1788707813 JMPQISBLTUDWBS-TUFLPTIASA-N 436.516 0.850 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655117 MYACNQUXAZENMC-OVWQWFNUSA-N 432.477 0.948 30 20 ICED O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791604038 ZCFXMMYDMGAKPQ-ZBGDBWPRSA-N 447.492 0.364 30 20 ICED C=CC[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)NC(=O)OC(C)(C)C 1792110800 GNFAUQSSWPQMAQ-FZKCQIBNSA-N 441.525 0.136 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)cc1 1792556506 KRCVXGREPUDMOL-RMFSNUHRSA-N 426.473 0.533 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)cc1 1792557714 OCLGQHRURRQHIJ-OPMZPASUSA-N 436.468 0.713 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1COc2ccccc2O1 1793265972 KUCAZMPDNHJHPB-GKICUZSHSA-N 428.485 0.844 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H](O)c1ccccc1 1795385119 RCNDTLCQWKWFGD-ZPCQFCQYSA-N 431.489 0.839 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602262 DCSFTHXLDMPAAX-VXIBKDFQSA-N 429.521 0.720 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2[nH]nnc2C)c(O)n1 1795976800 IKGSLEGVPWRUCH-ZSBFGKGUSA-N 426.477 0.849 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1796445410 YSUGWEQNSORLRB-YGZPADNSSA-N 444.469 0.592 30 20 ICED 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]1C[C@@H](O)C1 1797146811 WBEYNGMWWDZSDN-GVLSGGHMSA-N 437.537 0.816 30 20 ICED CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1798494035 AKSDXJSICDGXLF-OKMMXDIKSA-N 435.569 0.791 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1800185551 JHKUITNETSJWQY-HGKCTWBKSA-N 445.545 0.254 30 20 ICED C#CCCC(=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 1802024591 QLKVFEJHUBGASC-OYNZLANYSA-N 435.521 0.360 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1802489788 MKKQSCQMGYIQMP-DPXVLWLBSA-N 425.489 0.082 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)ccn2C)[C@@H]1c1cccnc1 1811357524 DKYMKWORJYXELP-KGPYNAKISA-N 449.511 0.958 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814978885 WKSWBBZSNOKVTC-VXGBXAGGSA-N 435.554 0.784 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819891507 UEDRZIKKPWUQTR-ABAIWWIYSA-N 430.477 0.917 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)C1 1829672533 QHGDYWSBGVVHDC-XMMPIXPASA-N 440.544 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(C)nc3C)C2)C1 1829764324 JVIUIUDPOASJDS-QEVIJRNUSA-N 448.545 0.688 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3cccnc3)C2)C1 1831402976 UXYWZWJOTZIMKB-AUSIDOKSSA-N 429.517 0.899 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)C(F)(F)F 1832162274 LLCAOYKTQCTTLT-OALUTQOASA-N 441.406 0.942 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833303364 LCNRFCYESGGRRH-HXUWFJFHSA-N 434.518 0.170 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1 1833466387 BIVICZUKJRMRRD-QGZVFWFLSA-N 443.548 0.889 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC[S@@](=O)CC)CC2)CC1 1833468396 RGMKEUOQJJSGFA-JWRCQZCYSA-N 425.595 0.755 30 20 ICED COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835340963 KONBKILELFGCMA-QFIPXVFZSA-N 428.489 0.783 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349670 PXMGASAZHGQKLQ-HXOBKFHXSA-N 440.500 0.565 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835494152 IVWVJAKFQAEOOS-QHCPKHFHSA-N 435.484 0.751 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836449696 HQOOFOVRCUGAOU-HTAPYJJXSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1837396254 DXVUBXBJUAGHOC-JTSKRJEESA-N 433.505 0.739 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533450 VGUWBKJLNWNIQU-JNVNIICASA-N 425.482 0.522 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1837615311 GQFWPNPCORNHEL-YKSBVNFPSA-N 438.480 0.728 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)n1cnnn1 1838411464 RFBCGBLYKPPRLR-QPNANDPSSA-N 443.508 0.945 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579188 DRZDVRLOOUXSRZ-SBUREZEXSA-N 441.484 0.675 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1838861244 MUFDUUWPDYGOKF-ICTHTSFCSA-N 449.454 0.893 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949833 WXWUYTYGIIPZBF-QHCPKHFHSA-N 442.516 0.935 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1839224522 LKBMXVQJECHDDG-JUXOCIIHSA-N 447.536 0.729 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1839806049 YTRHGUHDYIVODE-WBYLCXCBSA-N 433.505 0.474 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840169214 RIESVSUIMCNYRH-YCRNBWNJSA-N 431.533 0.647 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847941986 IFFLTOMSUOYBTR-KKUMJFAQSA-N 449.508 0.209 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 64768027 PPPNRXIORZAROF-UHFFFAOYSA-N 435.484 0.966 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442058037 OUUGKQOKTJYQDL-AWEZNQCLSA-N 428.468 1.125 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 464854327 OQEKWPPAANXFDM-AWEZNQCLSA-N 441.517 0.095 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)cn1 470973341 DREDIKVHNUDQFK-QGZVFWFLSA-N 426.502 0.944 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OCC)n2)c1=O 477455619 XWXRGWMIZFXLSG-INIZCTEOSA-N 442.541 0.912 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@]12C(=O)Nc1ccccc12 477518961 GFSVYBOUVXHBDL-PEBXRYMYSA-N 436.472 0.906 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480318266 NMEHWYZBZJNHGJ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1Cc1ccon1 480941472 XJQMMWGATFFCDK-UHFFFAOYSA-N 442.472 0.659 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2=O)cc1 488600982 NYPLMCRBXXQNMU-QGZVFWFLSA-N 448.418 0.529 30 20 ICED Cc1ncc(S(=O)(=O)NC[C@@H](C)N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489888464 PCICGFLMAVQUIK-GFCCVEGCSA-N 448.530 0.824 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)no1 490801052 ZUQKCAWNWFJCHS-UHFFFAOYSA-N 434.460 0.777 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)CC1 491054345 VADNMGCZSDWFBP-UHFFFAOYSA-N 435.912 0.427 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 512419705 BLISFDFOJWLFRF-FQEVSTJZSA-N 433.578 0.685 30 20 ICED CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 517061136 WZWNGMJOAWXLIL-QGZVFWFLSA-N 436.515 0.751 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C1CCN(C)CC1 517980723 VSCZZOKXXHEQOB-UHFFFAOYSA-N 440.569 0.751 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 518122181 DITPJOQIOCDWBC-UHFFFAOYSA-N 425.420 0.849 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2=O)cc1 519023454 KYRYEVKGOCMHHH-NRFANRHFSA-N 446.511 0.909 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 539357200 VVIHNHVSTZGWLA-UHFFFAOYSA-N 448.553 0.695 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C3CC3)c2=O)cc1 547961853 OWFGGHVCKUSKKJ-AWEZNQCLSA-N 444.534 0.757 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)nc1 551430363 YENXUIMNEADZEG-QGZVFWFLSA-N 448.439 0.623 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CC(N)=O 567011072 ZYEISTXRCUXJGU-UHFFFAOYSA-N 444.460 0.503 30 20 ICED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572877028 IMPCJRUNRHUYIT-HKUYNNGSSA-N 425.489 0.545 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 585722276 QFPDMDCAZNWACV-UHFFFAOYSA-N 447.543 0.540 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)CC2)nc1 587654920 VCKJQPOLLZJKIP-KRWDZBQOSA-N 425.493 0.101 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603792822 FTRKGNAHMAKTIN-UHFFFAOYSA-N 426.454 0.366 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 609005687 SWOMAXMFNGTJAF-UHFFFAOYSA-N 432.440 0.903 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1C 609074506 CYFROSFUVHHRKG-UHFFFAOYSA-N 427.404 0.611 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCC(S(N)(=O)=O)CC2)c(C#N)cn1CCOC 615501389 WNNUEJFSEAHRJZ-UHFFFAOYSA-N 427.483 0.468 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(Cl)nc2)c1=O 727163200 PGTHKXRZKBFEKY-UHFFFAOYSA-N 426.889 0.463 30 20 ICED C[C@@H]1Oc2ccc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)cc2NC1=O 728091351 AAZUETGISNIWNO-LBPRGKRZSA-N 443.437 0.982 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC 729428637 FXQCIMNDBQYGKB-CYBMUJFWSA-N 426.433 0.222 30 20 ICED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732463230 KYMZZNXTWSTVHC-BDBAMQCISA-N 437.460 0.352 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675169 XXAXGAZNBLADGK-QGZVFWFLSA-N 426.451 0.813 30 20 ICED C#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 744244580 DUTGKBISOKDYTG-UHFFFAOYSA-N 427.548 0.037 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 756758674 RHPMWUZWPKBARR-JTQLQIEISA-N 425.854 0.794 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 758496611 VSOABLNOYKSDTG-OKZBNKHCSA-N 436.557 0.451 30 20 ICED CNC(=O)[C@@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)c1ccccc1 762723376 OBLCUWXOQAMALH-NRFANRHFSA-N 439.516 0.759 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccn(C)c3)c2=O)c1 763460533 JMXPQWVOSADLKC-MRXNPFEDSA-N 446.532 0.873 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(Cc3ccon3)c2=O)cn1 765145713 MVMUUNDSXRWRGX-UHFFFAOYSA-N 436.453 0.092 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CCOC 767880663 OIZMPZGIGYFYTP-UHFFFAOYSA-N 439.896 0.614 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)nn1CCC#N 768061743 WZPGKOZIHXBNOJ-UHFFFAOYSA-N 433.513 0.713 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769643572 VVXPIICXSRXQIF-UHFFFAOYSA-N 443.573 0.759 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774576606 YYPAYUCRWSHOBK-KKUMJFAQSA-N 449.533 0.794 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N(C)CC(=O)OCC 782560188 YCPACLDHUZKFSP-QFIPXVFZSA-N 443.456 0.716 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(Cc3noc(C)n3)nn2)c1 783015027 MSSXPFICTIQXRD-UHFFFAOYSA-N 435.444 0.505 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 785881593 MLJDUTPRDWTRHO-QZTJIDSGSA-N 433.553 0.495 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)[nH]3)CC2)cc1 786090437 FDBMFMVZPLOAHR-UHFFFAOYSA-N 432.458 0.585 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)nc2n(C)c1=O 786570967 VRIXLONTKWAKJN-GFCCVEGCSA-N 427.367 0.549 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cn1 792345243 YYNJOVBYUYUJNA-AWEZNQCLSA-N 436.350 0.943 30 20 ICED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 815752350 OLMQMJNXRZVCLE-LPCAMTDXSA-N 437.522 0.469 30 20 ICED C#CCN(C)CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 818609459 YMZSBQGETGPGNI-UHFFFAOYSA-N 434.562 0.371 30 20 ICED CN1C(=C2C(=N)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)N(C)c2ccccc21 915592773 QCUPIZAMOHEBNH-ZDUSSCGKSA-N 431.518 0.340 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 916177784 BHHIQYNGMSBCSS-UHFFFAOYSA-N 435.483 0.698 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 917792308 VTOPLOPOGKBCQR-UHFFFAOYSA-N 427.530 0.558 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(N)=O)c1 918281056 MHZJMMHZFYNLCP-HAVVHWLPSA-N 437.522 0.600 30 20 ICED N#Cc1cccc(OCC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 919417283 XMDHNDPZKJDAEA-AEFFLSMTSA-N 436.486 0.675 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4nc(N)ncc4C3)CC2)cc1 1120043639 OOPSCGMGQDCCDP-UHFFFAOYSA-N 426.502 0.916 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)N1CCO[C@H](C#N)C1)CCO2 1195585214 SSWJMCFEVFTYPX-OAHLLOKOSA-N 430.527 0.557 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301969351 WEXTVFMRXURADT-LSDHHAIUSA-N 426.543 0.512 30 20 ICED CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1314931384 SJZLSBHRNLVQMV-OAQYLSRUSA-N 432.548 0.982 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1319733139 SRSHLJCVFBXVHF-UHFFFAOYSA-N 443.525 0.769 30 20 ICED CCc1nn(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(=O)c(C#N)c1CC 1327496686 QOMHLIPABWORHX-UHFFFAOYSA-N 435.492 0.265 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1492605747 LTYVOSADECCDKB-QFBILLFUSA-N 449.512 0.805 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N1CCOCC1 1541926741 WYIATDHVAVHCRR-CVEARBPZSA-N 439.586 0.739 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1557249851 PCVWFZLQANOVQR-LLVKDONJSA-N 432.424 0.642 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1615956836 YLFKVDZPFXUKHU-UHFFFAOYSA-N 446.537 0.217 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1624913636 YQEQJVBKAZADEE-OAHLLOKOSA-N 429.502 0.575 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@](O)(CC#N)C1 1643613065 WZNYLIVPTBUFKP-QAPCUYQASA-N 427.910 0.750 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC(C)(C)C1 1706071837 YJSCKOWOZXJOLZ-GJZGRUSLSA-N 427.575 0.595 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1712887622 NPXMYKPZFORIPQ-ZDUSSCGKSA-N 430.481 0.692 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1741944673 NSXQVVMSEMCRKJ-LSDHHAIUSA-N 425.559 0.491 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747443750 MBZMGSYKWVTWTB-INIZCTEOSA-N 430.538 0.456 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1767627218 YPWQFGMRZFPJQD-VXKWHMMOSA-N 440.504 0.843 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771348238 SFNVDYYBVGODBG-RDJZCZTQSA-N 449.558 0.875 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778017399 IVKJNBKAFNGNEB-PDSXEYIOSA-N 434.493 0.588 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778355552 ZMRPZRXDQOQFNH-NZQKXSOJSA-N 432.565 0.749 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778845846 SMROCUKNANGPCE-JOCHJYFZSA-N 437.504 0.654 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1778971892 NXEIJJUQDNRCQE-FDDCHVKYSA-N 427.501 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779260459 JVXNXCKIURUHGR-HTNYWEHUSA-N 428.489 0.098 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1779401175 CUJPDRQEUIMHLI-CSODHUTKSA-N 437.493 0.545 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780122356 CLSQAAHEEXDUIA-WZONZLPQSA-N 430.501 0.930 30 20 ICED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1 1781011485 QMBRUBIKKIXUJG-YCRNBWNJSA-N 441.532 0.473 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1)C(=O)O 1781174524 PDDAHGABNRCAPN-AVRDEDQJSA-N 444.488 0.002 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174845 STYFQIJLTZBSDO-QFIPXVFZSA-N 429.473 0.892 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294680 NWIKRZVVEXNAJW-SIKLNZKXSA-N 430.480 0.984 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603498 IZANNDDGSWTDSU-UFYCRDLUSA-N 426.517 0.853 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc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c1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)n1 1788730765 OVNCQZKXMWVHDY-ULQDDVLXSA-N 427.505 0.570 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791440162 AOGRDPNPXCDBIH-LWYYNNOASA-N 436.505 0.655 30 20 ICED COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145634 DCKGFTPLIMNCQK-LNLFQRSKSA-N 429.473 0.870 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793208402 CNQDBUDGYNAWMY-SEEKVXKWSA-N 431.558 0.943 30 20 ICED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cc1F 1794364387 QCKRVUQLWPAPTP-XEFIHAHWSA-N 433.484 0.904 30 20 ICED CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c2C1 1795078040 LFNVSSQSRSVXEU-FVCICTRLSA-N 444.492 0.777 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)c1ccccc1 1795532668 ZPVOUTQUVXAHEJ-BFUACXKISA-N 440.544 0.366 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321616 IFEMSPJTYSEQAK-RMHZUWNSSA-N 435.550 0.174 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc(Cl)ncn1 1798307923 SGUZJCRFELWJAU-ZUYJCRGOSA-N 437.884 0.862 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1c(O)nc2ccccc21 1799063211 RFNOMIQWIJMKKY-USGNIVHTSA-N 440.456 0.200 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680700 QUBFHQKPHIDHKQ-HIRMHNASSA-N 441.525 0.402 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@@H]1c1cccnc1 1802500184 XGZNRYYQIAUTSX-XKIGQQANSA-N 437.504 0.799 30 20 ICED NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808419428 PLFZUIBZGYVXQC-KODQRZTDSA-N 427.530 0.874 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1808439315 LPYXVTSEDQZVPD-VQIMIIECSA-N 427.465 0.284 30 20 ICED C=C(C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1812677122 RGWXBOMYXAYXSQ-YCPHGPKFSA-N 427.427 0.799 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814404421 FLRKVJHQBSAPKV-AYTCHYOCSA-N 435.506 0.863 30 20 ICED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)c1 1815063784 JEUANTPIDULMKA-KBPBESRZSA-N 426.502 0.833 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1823515498 LXRLJMRDFDWPJX-TZMCWYRMSA-N 435.481 0.629 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1CC1)CC2 1826643367 BKQCZMPGYVEKRO-WMLDXEAASA-N 440.529 0.939 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830057309 AZXOPKNOSXGGJC-HXUWFJFHSA-N 435.550 0.958 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830859522 LISRQMSNEUNGDP-FYYLOGMGSA-N 429.517 0.964 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831222875 JTRSSQJVHQPIHS-XMMPIXPASA-N 439.512 0.595 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831499609 XIQXBBRRFLZLST-OXJNMPFZSA-N 445.582 0.922 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831704819 HKMFJIGVZGPBND-DAWZGUTISA-N 430.379 0.263 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832558537 YYDANNJFBVDDPC-PGRDOPGGSA-N 435.521 0.863 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833046674 KTAABSKWOHDVDL-QFIPXVFZSA-N 432.521 0.950 30 20 ICED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834413458 BDPMYEOWDZYCND-UZWDYZERSA-N 449.508 0.502 30 20 ICED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834897734 VDPCZFMKECGSAH-XQNSMLJCSA-N 430.557 0.321 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835479848 UDHSNDJTSVCEDH-OAQYLSRUSA-N 439.670 0.760 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835667748 OHBSTAJKQMQSHY-JOCHJYFZSA-N 435.569 0.066 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1 1835682237 CSDWJZSDGFTRGU-PGRDOPGGSA-N 431.537 0.787 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731465 QSWPKQLQIAPAMN-GXDFBKAQSA-N 449.600 0.477 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835780073 LPSIZVXMKNOKEY-HIQXPHMNSA-N 443.548 0.961 30 20 ICED N#Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1836288040 MKTAFVDDMFPXEP-SFTDATJTSA-N 425.533 0.466 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848304 MLHSADXLEJTIMH-KKSFZXQISA-N 444.492 0.600 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1836859385 XSUCJDJTPCHNNE-QGZVFWFLSA-N 435.521 0.866 30 20 ICED Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1837382266 YSIKRDACGKKWLV-WQZUMXOESA-N 448.524 0.956 30 20 ICED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cs1 1837563478 YWMPTBUADYZSAU-WMTXGSMFSA-N 433.490 0.507 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1837885195 SCLQHWIYYVLVOU-ROUUACIJSA-N 439.553 0.621 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)c1 1838741829 DIOZEYHOVVERQB-QFIPXVFZSA-N 437.456 0.369 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839175070 OAUCCIXOPKXIQR-VGOFRKELSA-N 438.521 0.525 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1839898261 PVIXLFVZDSXBPR-JOCHJYFZSA-N 441.484 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3Cl)C2)C1 1840041477 OOKZQENRHCCJPF-NRFANRHFSA-N 434.876 0.817 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840159032 VRVOTTLWYBALTN-FOIQADDNSA-N 431.518 0.656 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840168012 BBCVRAZIAMZBFS-HSZRJFAPSA-N 441.484 0.891 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2)C(F)(F)F 1840200443 IDDJJAPFYRJASX-CJNGLKHVSA-N 426.457 0.675 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840277710 LGDLEHIYIXFUHJ-HSZRJFAPSA-N 441.484 0.776 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840292260 FMTCBBPZIWCHNT-HSZRJFAPSA-N 434.581 0.274 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840425226 NLCONFXEBWSHEU-BSRJHKFKSA-N 447.532 0.878 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)n3ccnc3C)CCO2)C1 1840492387 KMEOZKGOINWGFT-NRJQMVOHSA-N 434.537 0.782 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645593 CJXZXRAIEZHJKH-LAUBAEHRSA-N 435.546 0.810 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1840716772 SIBWLUXHALEPTI-ZDWFVDTJSA-N 440.500 0.520 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1840842265 YPCQXFKJQMUASZ-HSZRJFAPSA-N 438.484 0.417 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)C2 1846195079 ZSDNJXZUROLXJY-UHFFFAOYSA-N 435.436 0.859 30 20 ICED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)sc(C(=O)NC)c1C 10852049 XHKDSJWGGFFZQA-UHFFFAOYSA-N 447.473 0.447 30 20 ICED Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 438836187 MZQAVDRWXROWQQ-QGZVFWFLSA-N 432.484 0.791 30 20 ICED CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc2O1 443750668 CXIHKLDSNYYKSH-IBGZPJMESA-N 437.518 0.790 30 20 ICED COc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)cc1 444592973 JNNZBKUKSXABDX-SFHVURJKSA-N 426.477 0.934 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 465221816 FVIVVASRYWWRRI-PEBXRYMYSA-N 448.487 0.823 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 465221818 FVIVVASRYWWRRI-RCDICMHDSA-N 448.487 0.823 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 472043789 QXBFPJMCFQRBNI-MAUKXSAKSA-N 441.488 0.859 30 20 ICED Cc1nc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 474713394 WHQVMIDXAVMEIZ-UHFFFAOYSA-N 432.370 0.942 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 481201744 ANCSBPXFMUOLGF-UHFFFAOYSA-N 428.537 0.585 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1 483963300 RWBXTOUNINQGKE-LJQANCHMSA-N 440.591 0.985 30 20 ICED COCCC(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486521117 VYGVGLKKUZXNOS-LJQANCHMSA-N 427.505 0.986 30 20 ICED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 500002228 RRRRHJINJLJLAW-QUCCMNQESA-N 448.589 0.935 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)nc1 501368957 DBOQIDNGASBMGD-UHFFFAOYSA-N 446.558 0.981 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 509892926 GPNCIROTYFZNPR-HNNXBMFYSA-N 444.517 0.624 30 20 ICED Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512799681 MMHADZLCWBBMEX-UHFFFAOYSA-N 441.469 0.853 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 514490988 HIGWCTMOSVFVDT-UHFFFAOYSA-N 439.493 0.378 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 514519412 UWPRBULUAAEEJM-UHFFFAOYSA-N 430.442 0.378 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CN(C)CCN3C)nnc12 520311968 BTJARVAALVJDSG-HNNXBMFYSA-N 441.561 0.684 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 522284233 WKZLDZJVMGARIO-UHFFFAOYSA-N 449.479 0.586 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 525618610 XYDJBLYZIGPXMP-UHFFFAOYSA-N 437.508 0.663 30 20 ICED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 556343611 NCUJRYJKEJZBNY-UHFFFAOYSA-N 425.461 0.927 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 558057682 QTKRRWPQDUOVDC-LPHOPBHVSA-N 440.500 0.572 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 570753399 DBBHEOHZROFMLY-PMACEKPBSA-N 440.548 0.486 30 20 ICED CC1(C)CN(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 573477828 KAEMPJKQHPPCFB-SFHVURJKSA-N 427.505 0.002 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 603556325 JZBYQHPDBSYUBX-UHFFFAOYSA-N 431.496 0.211 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 604068757 VRRDSVNHWIPZHR-GUDVDZBRSA-N 430.530 0.431 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 611409194 BNSLFLGIOAIGDD-OAQYLSRUSA-N 433.528 0.161 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1Cl 619837085 BFJLXGVAWJAULB-UHFFFAOYSA-N 430.852 0.522 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 728534003 WDCLCPQCDDCTEB-UHFFFAOYSA-N 438.525 0.362 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 732677968 HNOTYCSHWHMZGB-UHFFFAOYSA-N 432.424 0.966 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O 748525372 ZZFIMSZMUHDAGP-GJZGRUSLSA-N 434.518 0.936 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)NCCO)s2)C1=O 751669520 WQRYSQNOLXSEQF-LLVKDONJSA-N 441.512 0.914 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 761274668 WVXQMUQZWAESBP-UHFFFAOYSA-N 443.547 0.607 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762297189 XNKGVKHHXKYKEG-LIRRHRJNSA-N 442.497 0.924 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)CC1 762975921 FZNGWFGZLVINSI-UHFFFAOYSA-N 448.501 0.757 30 20 ICED CC(C)(C)c1ccc(C#N)c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 767196913 YBRLBSLTAFWAGC-OAHLLOKOSA-N 426.564 0.890 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2ccn(C)n2)C1=O 767675919 LVSYEQUIRFFAPY-XJKSGUPXSA-N 431.474 0.697 30 20 ICED C[C@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 768250006 LLXBJBUGJWWSPB-CRAIPNDOSA-N 427.548 0.612 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCCC(=O)OC)c2=O)cn1 772277457 BBUIYGIXIKNXDN-UHFFFAOYSA-N 443.529 0.435 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC(C)(C)C#N)cc1 776143629 IXXXFZQXUWVCDW-UHFFFAOYSA-N 430.508 0.261 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776745170 XIARUPPRPNFRSF-IQBMLBPBSA-N 448.545 0.982 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 783464351 DFFLAXGOHGBOPL-UHFFFAOYSA-N 442.497 0.920 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Br)cc1 783956424 HAKXBIPWQMNJDW-UHFFFAOYSA-N 444.314 0.644 30 20 ICED N#CC1(NC(=O)COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCC1 784180459 DNCIILDNSPJYBZ-UHFFFAOYSA-N 430.486 0.953 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786562477 XTRRPRMNFQKVIJ-SNPRPXQTSA-N 439.440 0.325 30 20 ICED Cc1oc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C#N)c1C 786997525 NOPITMPVSYOXEA-KRWDZBQOSA-N 432.477 0.963 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2nnc3n2CCOC3)c1 790680395 SDARPZHRVNSOLI-HZHRSRAPSA-N 433.494 0.943 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 794648309 ZSGLOFOWLOSUBP-QGZVFWFLSA-N 436.489 0.828 30 20 ICED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3cnccc3C#N)CC2)C1=O 795042484 MNGJGZMJVMBNGI-QHCPKHFHSA-N 447.499 0.964 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)CC1 796122335 RBINLGBEQADLDP-UHFFFAOYSA-N 436.306 0.924 30 20 ICED COCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 796485225 IUDSVFGGKKPRKZ-JKSUJKDBSA-N 444.554 0.093 30 20 ICED C=CCN1CC[C@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 798562438 LAILYMPBTAYVKL-SFHVURJKSA-N 449.529 0.630 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800099269 HPIIRYIVULGFJH-OAHLLOKOSA-N 429.568 0.906 30 20 ICED C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 800786485 DKWONDAPLMEDQL-UHFFFAOYSA-N 439.480 0.484 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCO[C@H](C)C1 807368345 FGTYRTXREWNNFO-ZBFHGGJFSA-N 437.518 0.930 30 20 ICED COC(=O)c1nn(CN2CCN(c3snc(C)c3C#N)CC2)c(=O)c2noc(C)c12 811786304 UQKFFOBZXCMHGZ-UHFFFAOYSA-N 429.462 0.896 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814248927 CPXXOZVLUASBBA-UHFFFAOYSA-N 425.461 0.047 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(SC)cc2)c1=O 838174893 NOHFEAUTYUQJOW-AWEZNQCLSA-N 447.582 0.932 30 20 ICED C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 914679476 CRXCOQDVMWUOFD-CQSZACIVSA-N 431.470 0.875 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 918238619 JDTCGBYSXXDQLD-QJOMJCCJSA-N 432.506 0.841 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1Br 1190314035 WMOAYLFRGXLZHA-NSHDSACASA-N 437.341 0.657 30 20 ICED CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)c(C#N)c(C)n(C)c3=O)CC2)c(F)c1 1459210066 IJOIQYWIIVRHIB-UHFFFAOYSA-N 427.436 0.418 30 20 ICED CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1510341766 WWANKKGFECOSIA-BEFAXECRSA-N 440.545 0.733 30 20 ICED Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1511362169 IYWIDBNUWBMICO-NVXWUHKLSA-N 447.521 0.092 30 20 ICED COC[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555235613 SHCRNRNMXGPHRJ-YOEHRIQHSA-N 441.540 0.752 30 20 ICED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1615857449 LRDIFOGIULKBGJ-IERDGZPVSA-N 444.561 0.897 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696505341 BMDRTWJYSSATLY-SFHVURJKSA-N 444.565 0.380 30 20 ICED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1709336134 XGFDGQAAGQXMNU-YLJYHZDGSA-N 431.518 0.982 30 20 ICED CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1723552444 XFKWPHZZODFJGM-UHFFFAOYSA-N 447.565 0.808 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1762302597 LMZAMSRBWFSSHX-MRXNPFEDSA-N 433.513 0.174 30 20 ICED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CCCS2(=O)=O)c1 1770749146 YOYGGQBXDXJGQW-MRXNPFEDSA-N 429.506 0.164 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1771369387 RKSIPTGSPIBKFP-OAHLLOKOSA-N 427.490 0.771 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1779021315 MOCZMGQIRMAHMK-IIHIVLJSSA-N 443.483 0.784 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1779104785 OGSOGXVCNMEVGG-ZSJUENAVSA-N 437.522 0.748 30 20 ICED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019879 PLZNBVXDRGVBQV-DEOSSOPVSA-N 445.479 0.826 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1780724409 CDSVJAODDILRJC-VQPPSCEASA-N 430.480 0.888 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781056043 VCQSLHWPSZVOSH-LMHTWTQYSA-N 443.456 0.359 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781107846 DGUTWSPFHPJAKD-NQIIRXRSSA-N 435.569 0.397 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114128 HDDKZKHKKZHOEN-IEGUWTFLSA-N 449.548 0.848 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1781862311 ZKHLVTSSQMYXJK-SJCJKPOMSA-N 437.415 0.778 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783888831 MNIRIWGRCZPDKA-IQUTYRLHSA-N 431.555 0.410 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1783896355 YRJQNAPTPCAWCX-JLEJFLCFSA-N 433.574 0.770 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1784018167 MEBBZNNGBSFDSM-DRMXPCRNSA-N 439.512 0.998 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1784482466 MOHVQQSUWLOXLU-WMEZAQDKSA-N 440.500 0.598 30 20 ICED C#CC(=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 1790789273 YLJMSMHFHJDNRN-ATIWLJMLSA-N 435.521 0.217 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 1791079348 LJUUYASPSLWTIM-NUTKFTJISA-N 433.392 0.344 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313991 FWGGWIXWVOFZKL-SRVKXCTJSA-N 427.370 0.856 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)OC)[C@H]2C1 1791326224 IKWYBRBWEJLPPX-ICUGJSFKSA-N 437.537 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C2 1792484771 PHYGANNEQWTGPB-CKBCTKKSSA-N 433.505 0.024 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccncn3)noc1C)C2 1793344446 HICZVUZHPIQOKO-OAFZBRQQSA-N 439.472 0.682 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1793563448 CHPMISDBVDTRBL-XQVPTLPVSA-N 441.528 0.842 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1793599020 LYQQFUAFALPUFK-DFGXFYAUSA-N 448.524 0.337 30 20 ICED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1OC 1797741221 QLHZKAPWZMWWAK-BAFQNWIYSA-N 445.520 0.774 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n(C)n1 1797808729 PCEVNLGJOVYEAX-ZIFADMAISA-N 435.481 0.161 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1799196439 QFBYXPIQQKCJKY-PJVZLEMVSA-N 449.548 0.770 30 20 ICED Cn1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)c1=O 1799322696 CMJXSQVPBXENSO-UPHUGPLXSA-N 438.459 0.842 30 20 ICED 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)CC1)C2 1799364756 CCPBFWSUHVOCBF-JYYAWHABSA-N 436.509 0.155 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800243412 XKRFQMBOQXWZTM-KOUHRCEDSA-N 442.560 0.546 30 20 ICED C#CCCC(=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 1802024508 MTZYVJOETBDQGN-UTAOTPEMSA-N 435.521 0.361 30 20 ICED COc1ccc([C@H](O)C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1802805193 JUGVGBZYLQIQMX-WTOYTKOKSA-N 437.452 0.918 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1803552689 IJYKZWDIGNNYSM-LDBYXDLTSA-N 439.472 0.700 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803559803 DNFFTRFFCBJSLA-WZONZLPQSA-N 440.500 0.995 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190520 NYIMGNSFNRXAPO-ALKREAHSSA-N 444.492 0.440 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)C2)N1 1806847641 BATJUWIQUYLHSZ-ISIWREQTSA-N 449.508 0.345 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1807193859 HUXRDRBJUUIUFX-YCPHGPKFSA-N 427.427 0.799 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1808596514 JRKLIQSWDJFSNI-QRWLVFNGSA-N 436.424 0.671 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1808845808 OXXFZJGBWGXILR-XZKMEQPCSA-N 432.525 0.481 30 20 ICED COCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828866199 YPFPTJGHBBYFOP-QFIPXVFZSA-N 443.456 0.173 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1829768799 IMRBDNGZMUKNDU-ICTHTSFCSA-N 449.454 0.893 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)COC1 1830034012 HUJCMFAAUJXXJC-JOCHJYFZSA-N 431.464 0.733 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1831221616 UFUXCBNTBVKGDS-NGXZDTIWSA-N 449.507 0.766 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831487171 LZAYVZMZTGBQCQ-OXQOHEQNSA-N 433.534 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1noc(C)c1C)CCO2 1831982104 OYYMHPWREOHLTA-NRFANRHFSA-N 435.477 0.871 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015701 VMONPAOPSYNCPQ-MGPUTAFESA-N 436.534 0.274 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1833333923 OGDIZKFGWGIXBM-NRFANRHFSA-N 429.477 0.660 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386173 OAXRAZVBOWDAAL-KKSFZXQISA-N 434.493 0.048 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2C[C@H]21 1834767491 JSNGIFBJTOOZMX-DBHNTLKXSA-N 448.520 0.754 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338887 XMOSGZZEGITCMA-OPAMFIHVSA-N 448.520 0.756 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835349776 WZWRISIOALLIBO-QHCPKHFHSA-N 440.500 0.762 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cc2NC1=O 1835359882 MTWMYUCDIFKCFK-NYHFZMIOSA-N 442.472 0.780 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835580220 SQOGBBBMBVVYHZ-VGSWGCGISA-N 433.480 0.732 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642724 WMNZNCGYLOVRBW-IERDGZPVSA-N 440.541 0.261 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673055 UGLRFGGCDHDLHD-JOCHJYFZSA-N 429.521 0.742 30 20 ICED C=CCC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836534569 WUGHDYLMIGEQJC-UHFFFAOYSA-N 441.479 0.321 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cn[nH]c5cn4)CCO3)C2)c1 1837197545 TZFKHBRUTDSPFF-NRFANRHFSA-N 435.444 0.541 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837641194 GOSKAGPGCYHWCQ-AUSIDOKSSA-N 437.500 0.422 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)CC(=O)N5)C3)C2)c1 1838737479 UKLYODUNTCQOCC-QHCPKHFHSA-N 449.467 0.765 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838740457 LXMPJHWYBVNACX-HXUWFJFHSA-N 430.461 0.300 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(C)C)n1)CCO2 1838780899 SPJRTQAOUZBHQN-LXHZQTKUSA-N 445.520 0.392 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#C)C2)C1 1839130779 UHLTWOHLALQYOT-MBSDFSHPSA-N 447.532 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1839174616 NMJXOKREQHVSPZ-JOCHJYFZSA-N 446.504 0.375 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c(C)cccc34)CCO2)C1 1839595683 NFPBPTPWVFPVIV-GAJHUEQPSA-N 440.500 0.980 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840176419 IQGVXRZWSCNLBF-NFBKMPQASA-N 447.507 0.905 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840293446 BSPDILBOZPTMNB-GOSISDBHSA-N 434.411 0.742 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623859 LMEYPYNLLPPVTM-AWEZNQCLSA-N 442.538 0.431 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)c(C(F)(F)F)n1 1842879909 GHSPHMZCJYRMKZ-ZDUSSCGKSA-N 438.410 0.382 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282058 WKTTUMFGONFCCE-INIZCTEOSA-N 425.551 0.216 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1846001137 UYKFDBPFACVJAU-HOTGVXAUSA-N 432.521 0.892 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1847068817 INZCOWCCGVKXBT-LSDHHAIUSA-N 436.509 0.169 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1847806647 KJPLPVOUWJTWMG-ACTFIFLWSA-N 435.521 0.910 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 16635378 DFHBUACNBDPBRO-UHFFFAOYSA-N 442.497 0.910 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 409545463 YMIPRFUQJMTSCI-UHFFFAOYSA-N 434.522 0.560 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1N1CCNC1=O 427587519 OLVHHDNANKZPJJ-HNNXBMFYSA-N 448.487 0.862 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 430383631 HEVQBDVPARFXRV-SZMVWBNQSA-N 427.567 0.937 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CC1 441918669 ANOKSIVISYAMIV-OAHLLOKOSA-N 433.534 0.712 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 446527945 DQVDOBDAVFDHTF-UHFFFAOYSA-N 443.504 0.235 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 464811541 UGJJXSCYBNMHGT-SJLPKXTDSA-N 428.541 0.511 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 464856589 LGICCJVDRWPRNM-OAHLLOKOSA-N 428.518 0.579 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 465417411 NRHKTFXQCOYGQK-AWEZNQCLSA-N 442.501 0.569 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 466192341 DCKJSZIJKNEPNQ-GASCZTMLSA-N 439.513 0.879 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 467607414 JSPWQKGBTCXZNT-LWYCJPLVSA-N 435.531 0.291 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 473649285 CPKXFBNLPFHUGZ-GOSISDBHSA-N 434.518 0.563 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)CC1 476982666 SGKMBQFPFSLOQX-UHFFFAOYSA-N 440.504 0.481 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)n1 479357250 HNTUDVIGVGIXIF-OAHLLOKOSA-N 440.525 0.475 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C2CCN(C)CC2)CC1 481263672 XXSILRKKZRVRBC-MRXNPFEDSA-N 433.578 0.900 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 481364715 RDJQAPOCLJNGCH-UHFFFAOYSA-N 441.510 0.682 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481976225 JASPIWNVXRVEED-AWEZNQCLSA-N 426.523 0.976 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C(C)=O)C2)cc1 484716271 TULRTJANOKPRMA-MRXNPFEDSA-N 436.534 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 491034482 KFSGUBVQVGSAPR-UHFFFAOYSA-N 429.521 0.217 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1(C)C 496353718 ABDGHVSHDFCKDV-UHFFFAOYSA-N 440.592 0.735 30 20 ICED Cn1c(=O)c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cnc2n(C)c1=O 498313832 ZOWUTRMUWBKDAW-UHFFFAOYSA-N 441.469 0.962 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 499138527 FKAVZPHWTBCJDI-UHFFFAOYSA-N 427.486 0.489 30 20 ICED C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1=O 499999812 WCJRWWODRZDUTE-WMLDXEAASA-N 438.550 0.991 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506694674 KTGVLMADMVMDAS-JGGQBBKZSA-N 428.536 0.059 30 20 ICED C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(N)=O)C1 508937451 XOTUHWBNBSWYCL-IBGZPJMESA-N 425.537 0.519 30 20 ICED CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508987808 OSMFSBUUCKIFST-UHFFFAOYSA-N 443.485 0.596 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)CC1 512455829 IUVJEFOFEBBTRU-HXUWFJFHSA-N 433.578 0.992 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)c1 519015864 VNWOHELEGRAJNH-OALUTQOASA-N 426.521 0.361 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 523477645 LVBZMTJFOUTGLB-UHFFFAOYSA-N 447.513 0.221 30 20 ICED C=CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533524511 SPEMTYFXMAEQRW-HZPDHXFCSA-N 446.616 0.939 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCSC 535138205 RNJYXMMFWVJXTJ-UHFFFAOYSA-N 439.509 0.817 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 540482936 CYLSICVXDCDYTO-MAUKXSAKSA-N 428.532 0.617 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)n1 550565028 QRCAKMZDSRBMMM-UHFFFAOYSA-N 435.488 0.150 30 20 ICED CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)ccn1 550880422 YIZXWAKWNKXZQC-UHFFFAOYSA-N 434.416 0.452 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](C)O)cc1 557746887 PSFDYTKVMGWEHX-OXQOHEQNSA-N 443.529 0.638 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 569404471 VHFBZVCDFWPYQQ-IBGZPJMESA-N 447.499 0.304 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 571241326 VZHXJJBWHDBJPN-PWHSHALESA-N 440.500 0.966 30 20 ICED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 576128184 YGWXMXVRAQJDJW-UHFFFAOYSA-N 444.492 0.539 30 20 ICED COc1cc2c(cc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)O[C@H](C)C2 576132653 XVKAERYWVPGVMW-GFCCVEGCSA-N 426.477 0.903 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)n1 589416611 JJBRJGQSEIRPQK-GOSISDBHSA-N 433.403 0.916 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590897264 HYHFYQRFXBQLDV-AWEZNQCLSA-N 441.509 0.537 30 20 ICED COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(N)=O 603917045 GFUNMSMTODDQEZ-UHFFFAOYSA-N 446.485 0.368 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610004993 ZMMOEFTYTAZRKQ-UHFFFAOYSA-N 432.424 0.935 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 675413272 ZNJRLJCAXILSOX-JKSUJKDBSA-N 436.871 0.946 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)Nc2ccccc21 729381817 AKSNEISBNHKNLK-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 743907570 FOFDULGQFQHVKX-UHFFFAOYSA-N 425.482 0.401 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C#N)C1 754380252 PSUXWHGGIUDGCS-ZWKOTPCHSA-N 449.552 0.671 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)[C@H](C#N)C1 757587325 IGDYWUWVLUUPDE-HUUCEWRRSA-N 441.496 0.611 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 761036845 LIDFPMPUEYTHAO-AWEZNQCLSA-N 448.467 0.848 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCc1cccc(C#N)c1 762941091 INHVDKSWOLFDRH-CYBMUJFWSA-N 444.469 0.184 30 20 ICED N#Cc1cc(N2CCN3C(=O)OC[C@H]3C2)cc(N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] 763393395 MECLJZBTHGLHNR-HUUCEWRRSA-N 428.405 0.748 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 768965757 BZZWHDUVHFIGTL-FJAMSSDQSA-N 429.524 0.394 30 20 ICED CC[C@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 781129592 QQSBTJXKTLVLLU-MRXNPFEDSA-N 425.445 0.900 30 20 ICED C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786068619 CHDUFRFKKYEYMA-ABAIWWIYSA-N 429.389 0.495 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Br)c(Cl)s2)c(=O)n(C)c1=O 790172488 PRTGZKCINFKLHW-UHFFFAOYSA-N 441.716 0.874 30 20 ICED C[C@@H](C(=O)OCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)n1cnc(C#N)n1 798741597 UMIHHHZFDTXCDB-JTQLQIEISA-N 425.384 0.885 30 20 ICED C#CCC[C@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 799082916 PUYYHTFLTASZEL-INIZCTEOSA-N 448.545 0.417 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 802508925 DKGDYYGQSOYDJU-MRXNPFEDSA-N 434.522 0.893 30 20 ICED C#C[C@H](NC(=O)C(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@@H]1CCCO1 809312498 ZQYFWFXUBSOGBZ-HOCLYGCPSA-N 442.472 0.998 30 20 ICED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc12 811519374 ZXKCIFMMYGCJCC-JTQLQIEISA-N 443.445 0.352 30 20 ICED COCc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 918816960 DGHLXULWVLGIHO-UHFFFAOYSA-N 431.470 0.843 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 1190304383 YMZZADBVKHBUPQ-UHFFFAOYSA-N 426.586 0.380 30 20 ICED N#Cc1cn(CCC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c(=O)nc1O 1292325861 MALSYULNVQJHAU-UHFFFAOYSA-N 429.502 0.870 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C(F)(F)F 1309559076 RFKFBPASDHBZOY-UHFFFAOYSA-N 449.436 0.995 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1335799872 FGDIKJGHNYGLBQ-KRWDZBQOSA-N 447.517 0.694 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(OC)c3)c(=O)n2C)CC1 1341111934 NNCYRARZQSQAKY-UHFFFAOYSA-N 430.505 0.262 30 20 ICED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1360602094 MGMLBIMZJTVGSC-IIDMSEBBSA-N 443.549 0.299 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1510195384 VRCCEEMJYOLNBR-LQFLVGKISA-N 434.563 0.877 30 20 ICED CCC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1514330427 ZYEPXZOFIGTLFH-BHYGNILZSA-N 439.586 0.880 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1519572468 UOSYFHHWOYCGDJ-HXUWFJFHSA-N 446.533 0.486 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CNC1(C(N)=O)CCOCC1)CCCC2 1643744609 SHQYYWNLLBUIKU-OAHLLOKOSA-N 429.521 0.980 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1C#N 1664552551 UUPQPJAJRYJKSP-GFCCVEGCSA-N 430.280 0.763 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1706071734 WBWIHSIAFWQDIK-CVEARBPZSA-N 441.602 0.719 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1706838789 YMECCDWRHNNGMC-QRWLVFNGSA-N 449.533 0.749 30 20 ICED CN(C)C(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1766849619 ZGOPHOKTTNSSDI-GOSISDBHSA-N 437.504 0.879 30 20 ICED COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1769847656 YBZWUIDLCYHHOJ-KRWDZBQOSA-N 435.554 0.941 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1770346141 ZXMOUZFKHHOXIA-LJQANCHMSA-N 432.506 0.050 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778447682 NZWGFABQCGAWFU-NRFANRHFSA-N 427.461 0.682 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c2c1CCC2 1779019698 SPINOHVBLHQURO-ZZAWEDPDSA-N 428.537 0.824 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780596972 IGLJMQIOFBPSRA-KNQAVFIVSA-N 443.456 0.497 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781649484 AHAWPHPRODTSLO-GPMSIDNRSA-N 430.592 0.997 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CN1 1781778333 RDBJXHFTPCQBGP-AFYYMGMLSA-N 436.509 0.165 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1781803853 OJZJLJITJJKZRW-FZKQIMNGSA-N 431.436 0.255 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1cnnn1 1782198819 WEVVTXXAUSJATH-RNODOKPDSA-N 435.448 0.126 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784514198 SPVYISPMNLKNRW-TTYHFUOFSA-N 447.557 0.761 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788822 GULLHNJJJPWNJR-JTSKRJEESA-N 434.537 0.295 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1785574752 RCIAISRWBVXNOX-VBKZILBWSA-N 432.481 0.165 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785707064 VJPUIFKIWBOFAK-QRTARXTBSA-N 434.518 0.628 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1786560470 YYGQXXORCKPLLB-LNLFQRSKSA-N 446.467 0.063 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)c1 1786746579 BHJVLGCRALQJEO-ACRUOGEOSA-N 426.517 0.874 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788574703 KGLDYHQNBIAEIJ-DKIMLUQUSA-N 427.505 0.896 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)[C@H]2C1 1788620122 HBLGKBZORMHFDU-REPRORDYSA-N 426.494 0.942 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1789952638 OPAUKLUSPZEPQK-QZWWFDLISA-N 434.493 0.082 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)C[C@@H]21 1791072372 GNHJORNYRAGGMK-RCJHGTSTSA-N 428.441 0.284 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1792173797 KQJMEMWWHSSQST-XIRDDKMYSA-N 430.530 0.285 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C(=O)OCC)[C@H]2C1 1792222894 BFENKIGHJVKWOJ-FUYDUDRRSA-N 435.521 0.414 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1792261742 NMPRJVKMLMAKQL-CUSZFKRNSA-N 445.520 0.920 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1793593347 HMGNHAWOMYWYFP-ZMMAXQRCSA-N 447.536 0.942 30 20 ICED 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)CC#N 1795084462 VNLJWHNGJYJSTE-QZDIBKHGSA-N 436.509 0.250 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2nnc(C)o2)c(C#N)c1 1795791537 SHAGEFVYRWFDDL-FAQVEIGNSA-N 439.472 0.633 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797640129 QJIMZUOHVMJCMD-ZEENSLDLSA-N 429.473 0.902 30 20 ICED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797902920 BHJPTIUJYJNXQK-JNNRSPCRSA-N 426.452 0.828 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1799304994 LXTSQBHFRCIRAU-CCWDJLKJSA-N 427.461 0.442 30 20 ICED C#CCCC[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 1800024275 WFMJSBYKRSCYQU-YVSFHVDLSA-N 449.552 0.990 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2)c1ccc(O)cc1 1801058537 ACUCJIBTSFARMQ-PZTGFMGMSA-N 428.489 0.147 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1801167878 OKDIDLJQGOKLLJ-UGNRZPKXSA-N 426.517 0.983 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1801168588 DDAQDIYNRWRRFK-SHJAMOMRSA-N 429.521 0.240 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1CCc2nc[nH]c2C1 1801269045 SKQSWARETJZURX-ZOPGZDAYSA-N 445.520 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c(C)nn(C)c1C 1801380681 KFFCSZDUGWSSII-UPHUGPLXSA-N 432.521 0.678 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986390 AAJGHGIVICQBCO-MUJYYYPQSA-N 437.493 0.644 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806909114 NRMSSXRBXBLECH-UGKGYDQZSA-N 444.532 0.929 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808869479 SGCRCDHBIQHOIL-LMNJBCLMSA-N 449.552 0.175 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)[C@@H](O)N1CCOCC1 1819446296 MVSPDRSNDUGFKJ-FEMZRVCOSA-N 447.540 0.524 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)n[nH]1 1821738938 VSKZZHODVWHQBV-CYBMUJFWSA-N 442.388 0.260 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(=O)(=O)CC)CC1 1823746203 XSBSMKIOVFAMGU-GIFJBRJJSA-N 439.578 0.899 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1829260277 LHNROFUYZPDOII-UZUQRXQVSA-N 440.500 0.583 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1829766358 UUWVPGUWFJLPHP-OLEQZPESSA-N 434.468 0.093 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cc2C1 1830061492 HRZDXRCWZQHLMP-QFIPXVFZSA-N 444.536 0.338 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831471334 QOYXLSVMCYZATQ-QHCPKHFHSA-N 427.501 0.409 30 20 ICED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487695 DWWAVVLRAIZZKQ-HSZRJFAPSA-N 441.572 0.944 30 20 ICED N#Cc1ccc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)cc1 1833039957 CGHXEIAZDHOECS-NRFANRHFSA-N 426.565 0.348 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1833469228 MWAMRTAPOXJSHD-APWZRJJASA-N 439.578 0.174 30 20 ICED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833763631 PWBYQZHSVRSHLJ-JOCHJYFZSA-N 445.520 0.442 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756312 VVHIUPAOZMYGQQ-OAQYLSRUSA-N 434.493 0.534 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835056076 KSOCBBIVCZNPCY-QZTJIDSGSA-N 437.585 0.578 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(-n5ccnc5)ccn4)C3)C2)CC1 1835345416 LSLORBZTPBDLRD-QFIPXVFZSA-N 436.472 0.641 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835665819 JIZOKRYNDVKTCO-QFIPXVFZSA-N 432.496 0.696 30 20 ICED O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)=NN1 1835701765 OOIKYIYWPDYETJ-UHFFFAOYSA-N 443.548 0.133 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1836858907 CMNVZWITMRBDOO-SJORKVTESA-N 436.553 0.731 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(C)C 1837221523 LZWLTKIXQBDTHP-PLMTUMEDSA-N 441.525 0.831 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837286066 BLPZWDLEWBXDAD-FOHOANQFSA-N 447.580 0.255 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837396599 GROIZUOOPYCMTD-JTSKRJEESA-N 436.553 0.298 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837403376 SGISLCIXKILJQQ-AVRDEDQJSA-N 433.505 0.359 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440930 HLWWABAGTLIYHF-KURUZVKSSA-N 432.525 0.445 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489831 WAJLFIIBDSJWRA-QHCPKHFHSA-N 435.565 0.530 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837497514 VZOVTVOVMQGLKM-XMMPIXPASA-N 447.576 0.627 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1837681252 VDFVKDNELUVQCQ-SVMVAKDDSA-N 433.505 0.457 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837690101 KGCQFFXWOATEBP-GAJHUEQPSA-N 440.500 0.248 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741785 BLFXVPLQBDJRIB-KSFYIVLOSA-N 439.472 0.819 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839072586 KVFXSQADUZKXJZ-NRFANRHFSA-N 436.509 0.660 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1839175223 VRYKAJUNOODIAD-WRGVRERRSA-N 444.550 0.111 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839227164 LBQHQDQXKPZODM-HMFYCAOWSA-N 448.520 0.667 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839889099 BAMDDWXDDQLZJQ-SFFCAUCYSA-N 427.448 0.489 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4c(Cl)cccc34)C2)C1 1840044748 VFAPDNYMDIVYRN-NRFANRHFSA-N 445.859 0.979 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840173085 AYVAOCYHQZVZRW-QFIPXVFZSA-N 428.489 0.373 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846256870 FYPCIROFOSWSHL-SFHVURJKSA-N 442.553 0.459 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1847637127 RPCKKLOVBVSNDP-OWSLCNJRSA-N 435.521 0.862 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1847804262 GNDXJFHEDBJSCR-ADHGMGHFSA-N 435.521 0.597 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1=O 27581046 MRAAJZKJIRBYGJ-AWEZNQCLSA-N 430.461 0.438 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc1 106128352 SLVNDZHQBMMSDC-UHFFFAOYSA-N 437.485 0.610 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409489013 ZBSOQEKMMYYJNI-UHFFFAOYSA-N 444.579 0.809 30 20 ICED CO[C@@H](C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cs1 409513249 XHMXWYGQELPYAL-HOCLYGCPSA-N 429.568 0.827 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 409546192 TXUYTHHHSUWBQA-OAHLLOKOSA-N 442.563 0.922 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 409594022 KEFQNVTWYMOZIC-ZBFHGGJFSA-N 430.552 0.570 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1=O 427499939 QAIHFUZGLBBFMA-LBPRGKRZSA-N 438.362 0.904 30 20 ICED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 427659740 LNBNFELSQGTVBU-MRXNPFEDSA-N 437.504 0.848 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 430410890 XXZZQGVNTCVICD-BXWFABGCSA-N 433.509 0.679 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447683993 VYUIHTZMGDMVFH-CQSZACIVSA-N 441.513 0.707 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)cn1 475956564 OVTLBPFTVORMRF-LJQANCHMSA-N 437.504 0.562 30 20 ICED COc1cnccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 478454653 RUDOVUJNAMERCU-UHFFFAOYSA-N 429.502 0.931 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 478848183 NVZWXEXJGIWMEL-HNNXBMFYSA-N 441.509 0.757 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2F)c1 481264584 ZPHTWOKYJDYMIB-SFHVURJKSA-N 426.404 0.928 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2sccc2C)c1=O 488070923 DZGNTGVGNXLMCF-UHFFFAOYSA-N 437.568 0.060 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN(CC)C(C)=O)c2)CC1 491150664 UOFQZHKQZQRBEB-UHFFFAOYSA-N 429.521 0.440 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 504577110 GHMKJLJVFCYVCW-LJQANCHMSA-N 437.504 0.104 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cn1 504589813 BDHUKRVUPONMGB-IBGZPJMESA-N 436.472 0.583 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 507396755 FGQNVLWVLDOOEY-MRXNPFEDSA-N 425.449 0.173 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 508723191 VMDINKLRPXQITL-INIZCTEOSA-N 431.518 0.585 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1=O 510197940 KISSUPHMNZJNMA-UHFFFAOYSA-N 437.287 0.952 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)c1C#N 511612198 BWLQYPXUTOUEMW-UTKZUKDTSA-N 449.559 0.886 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCCO)CC(F)(F)F)CC1 520189504 WDJZTLQEYQGTBT-UHFFFAOYSA-N 448.467 0.638 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 523089592 PZDXKWWAITXZHF-UHFFFAOYSA-N 431.489 0.447 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 523476404 MTDWDCKVPMZAMI-HOCLYGCPSA-N 445.541 0.928 30 20 ICED CCN(CCC#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 532728921 BVVPRPQDFJETQX-UHFFFAOYSA-N 438.488 0.817 30 20 ICED COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1C#N 535207109 QNQQEAGZPHINCV-UHFFFAOYSA-N 432.458 0.543 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 544531579 ZYBMDFDJQHNXCC-UHFFFAOYSA-N 439.520 0.911 30 20 ICED COC(=O)c1cn([C@H]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nn1 546587586 ZAVJMUGKCBRNOI-HNNXBMFYSA-N 442.480 0.219 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 546707970 QBHOHBFRQGYHLB-UHFFFAOYSA-N 435.484 0.966 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 556517455 BXXAHUJLUTUDLT-IBGZPJMESA-N 433.578 0.645 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H](C)S1(=O)=O 575373379 OJGFXOSOZMGQNI-TXEJJXNPSA-N 435.893 1.370 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 583404666 FOESPTDVAKGUSX-UHFFFAOYSA-N 442.476 0.689 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 588208159 FPXQXEQWGGDBST-ZDUSSCGKSA-N 426.477 0.199 30 20 ICED COc1ccccc1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589300434 UNJVSKPBRIRUMC-UHFFFAOYSA-N 442.497 0.830 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2C)c1=O 603795750 PPVYSKKRJBADTN-UHFFFAOYSA-N 435.571 0.972 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 612214800 DWMRMVQPQLOYGH-UHFFFAOYSA-N 445.476 0.893 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(Br)c2)c1=O 729675050 REZPXQGZRAGWNE-UHFFFAOYSA-N 438.328 0.744 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 732562884 MXDLTNMGOHNDTC-UHFFFAOYSA-N 439.545 0.607 30 20 ICED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 732909422 BKUOITXMQHKDLJ-JTQLQIEISA-N 429.248 0.757 30 20 ICED CN(C)CCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 733888978 LQZHZZPZXSJSKW-YUCJCZDXSA-N 435.550 0.848 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 735939557 HHINHZFBZMHUHI-UHFFFAOYSA-N 446.529 0.984 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 742277600 BWNVETKJERRVFW-UHFFFAOYSA-N 438.525 0.937 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 743974257 OIUZCSDNEQNGEK-UHFFFAOYSA-N 432.458 0.299 30 20 ICED C[C@H](CC(=O)O[C@H]1CCCN(c2ccn(C)n2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745495921 JWBQLKRUBOBAHT-HIFRSBDPSA-N 445.501 0.976 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCOC1 749869888 ORHNBLQBLCTAIZ-OAHLLOKOSA-N 443.573 0.925 30 20 ICED COCCN(C(=O)CON=CC(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 754276972 VYIYUUVXQUEARX-CYBMUJFWSA-N 431.898 0.943 30 20 ICED N#Cc1cc(F)c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 755194390 QOJDXOIZVFQRLF-GFCCVEGCSA-N 433.458 0.111 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1Cc1ccon1 765145686 LLVDUEDHLLMMNU-UHFFFAOYSA-N 427.511 0.825 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766053359 SFUAXWMUZCSRAN-UHFFFAOYSA-N 441.425 0.387 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnnn1CC1CCOCC1 768777813 IQMJVFCSKRLCFC-ZDUSSCGKSA-N 434.478 0.382 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772278728 NFFQDQXZCSUUBU-HNNXBMFYSA-N 445.541 0.527 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)C(=O)OC)nnc12 778278139 KHZFEPLMXCLHQP-NSHDSACASA-N 430.442 0.996 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 778543457 OGJFISJAABVCLH-OAHLLOKOSA-N 425.894 0.700 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n(C)c2n(C)c1=O 778783986 KSOIBMCKPLVDQU-QGZVFWFLSA-N 435.440 0.800 30 20 ICED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 782104839 MNFPODOLAYNKDM-UHFFFAOYSA-N 449.515 0.784 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 787314880 RZDARUCDEDCSIB-IGQOVBAYSA-N 425.486 0.501 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 793194777 YINXCKPYRVCJFV-CYBMUJFWSA-N 429.495 0.976 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)c1 797387496 HIQLOEKKXVKSAU-UQRWVXEISA-N 435.506 0.162 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 856369962 REVCKDITIQEVDP-KDOFPFPSSA-N 438.502 0.832 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 914765458 KPKJPOJXWSKKRG-UHFFFAOYSA-N 444.473 0.767 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917425476 BBWJNMFGNUVIMD-OAHLLOKOSA-N 446.485 0.780 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)c1ccc(Cl)cc1 919762077 MHEFPBRKDANZMH-UHFFFAOYSA-N 441.918 0.969 30 20 ICED N#Cc1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Br)c1 1185603046 OBTJJJKUNFCION-GFCCVEGCSA-N 449.352 0.355 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1296664266 MIHKRKOBWBSBBM-GHTZIAJQSA-N 434.541 0.506 30 20 ICED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1306194986 UFCQNTFZPKPEJG-KRWDZBQOSA-N 444.565 0.715 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1316337233 QWXFALIQGROTPL-HNAYVOBHSA-N 449.558 0.945 30 20 ICED Cc1ccc(NC(=O)[C@H](C)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1473583785 JRBKPZZFMULDQI-JXFKEZNVSA-N 436.534 0.693 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 1561531782 QYJLZDVSNLKTBO-IRXDYDNUSA-N 425.532 0.403 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 1632533153 OCRALQGGFXPZKP-PVAVHDDUSA-N 434.468 0.721 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCC(=O)N(C)C 1693748816 QLHNZLUDEFEXAF-HZPDHXFCSA-N 439.524 0.637 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1706644026 MASKRRQVAXNKLP-UHFFFAOYSA-N 425.493 0.812 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1706656491 UHJJTECVBSHKJY-KRWDZBQOSA-N 429.506 0.873 30 20 ICED Cc1nccn1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1707791489 PFSXFBOBVQQHOB-ZBFHGGJFSA-N 436.542 0.555 30 20 ICED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1711472114 VUNDQHQSLJARAN-NRFANRHFSA-N 425.493 0.772 30 20 ICED N=C(N)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)c2cccs2)C1 1778097152 QFMGJKUYXCWGCS-ZABPZDLMSA-N 433.534 0.484 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncn(-c3ccccc3)n2)C1 1778184970 OFIUBLCCOFVMFG-VGOFRKELSA-N 437.456 0.483 30 20 ICED N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779016892 SWTXPERFVGRUJX-BRNOZLDUSA-N 428.537 0.773 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779467464 PFQLXUYNVXOUGO-KSFYIVLOSA-N 443.504 0.837 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200005 FAPIMWNWNWJELE-BUXKBTBVSA-N 433.490 0.440 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)c1 1781095113 LDDJCQSGHLFUGY-DVECYGJZSA-N 439.560 0.946 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782668514 HEVHKXHGKBHGGZ-KKSFZXQISA-N 432.546 0.949 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1783048322 YTUBOWLKFGCIJA-VGSWGCGISA-N 443.504 0.638 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H]5CCNC(=O)C5)C4)C3)c2c1 1784040982 UDFCJABPBZBDDN-QRQCRPRQSA-N 436.472 0.404 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1784486533 DWKOIRGMEOCPJW-OWSLCNJRSA-N 437.537 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785560385 JKZMQVVKTOHWJE-WZONZLPQSA-N 427.501 0.593 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)C1 1786857238 DEGRGJLUDYCAQD-BCYZHJNNSA-N 448.564 0.837 30 20 ICED Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C(F)(F)F)c1 1787713109 NMLOMAWCKANNEO-HUBLWGQQSA-N 427.379 0.725 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788564818 XESPAAKKRIPPMW-NRKLIOEPSA-N 425.530 0.475 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601600 BLRARTNDIVRVSR-BYQHOQCBSA-N 432.569 0.720 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1788604179 SNUWJSMNFHUTMF-MLAUCUPWSA-N 446.504 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1789891379 UYNIDHCBGBAXMP-BQFCYCMXSA-N 441.488 0.832 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792148513 OCJJHBPHJHEOKV-FBVAEJEDSA-N 428.489 0.441 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1793261805 BZRYPLZOYQCXHL-DTVVZGISSA-N 437.540 0.625 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)c1ccc(O)cc1 1795361344 IVKNDVGOWBDTFZ-QSNWEANLSA-N 448.541 0.523 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CCOC1 1795421792 HIJRWPRFTOPGNT-ICDONNSOSA-N 436.509 0.564 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797911393 YTWNMYWHTIULPR-BMFAXAFESA-N 432.521 0.468 30 20 ICED 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]1C[C@H](O)CN1 1799924213 UHQWFOZDROSDPW-MULDDASSSA-N 434.537 0.264 30 20 ICED 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)O 1800751256 LKAZONUMGXJUQK-SIRPWMCASA-N 425.526 0.816 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1802091612 CYJLZGANVUCZMU-BCEDRHLLSA-N 433.436 0.904 30 20 ICED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804185101 BPWQSSNZQCMSSD-WMZHIEFXSA-N 445.479 0.691 30 20 ICED Cc1cc(NC(=O)CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)no1 1808391110 OJJVDOWPLCSPEV-BTYIYWSLSA-N 439.428 0.501 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1810357898 VLGDCEQGUPGDGX-ZRWGHTATSA-N 441.492 0.908 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813222838 DFHZKZKUOPDNBO-OXJNMPFZSA-N 448.487 0.721 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCCC2=O)n[nH]1 1817156245 UPYSEAJDFXXETK-HLRDLLSLSA-N 428.493 0.883 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819448322 NCHSFWZHWIXEHA-HRAATJIYSA-N 449.508 0.562 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)c1 1819888935 APRMLIFXDAOJFK-KZULUSFZSA-N 430.490 0.219 30 20 ICED COC(OC)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828803495 SCZRYVRHKITEKW-QFIPXVFZSA-N 444.488 0.971 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830462767 MKLPZPFEXHCMMW-QHCPKHFHSA-N 442.516 0.473 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1831432708 MDTKPKFZLNYDKH-CROMWVBPSA-N 449.548 0.435 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831481636 GDCNPTAHVWFZOQ-AZUAARDMSA-N 429.627 0.847 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1833476802 CXDQZWHDHHWFBD-INIZCTEOSA-N 429.583 0.584 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497071 WOKLDBZNVJUADE-SFHVURJKSA-N 440.403 0.456 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)Cn3ccc(C)n3)CC2)CC1 1833852760 JHIQMWVPZXOXBW-PLNGDYQASA-N 442.564 0.622 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834235680 DMFRCKYSIWMTNZ-JOCHJYFZSA-N 430.505 0.189 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1CC)CCO2 1834513936 KRAOPAREWNFHNA-QEVIJRNUSA-N 432.477 0.165 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1834528714 XYEHBTSVTSJWAJ-QFIPXVFZSA-N 437.456 0.741 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1834604595 GLYDPGSNAJQNOV-UHFFFAOYSA-N 441.536 0.506 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835341348 XUYUFECAGWUOPG-OAQYLSRUSA-N 427.461 0.414 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675294 MJTWRUOKMRCABR-XMSQKQJNSA-N 435.569 0.209 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680088 DSRHXZBUFMKYFO-UWJYYQICSA-N 437.541 0.526 30 20 ICED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836862314 UUANPLFSLZKSPO-IBGZPJMESA-N 438.569 0.561 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837415095 SRDNZDSZQHTWFA-WVMHDHGMSA-N 437.493 0.665 30 20 ICED Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524326 FXUYMASODGYLNX-MXZSFLGVSA-N 434.493 0.922 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837526505 FBBAALBSUMQARS-NAURTCDJSA-N 435.481 0.019 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837672541 NFRQKARMXYUAIE-NTKDMRAZSA-N 441.528 0.799 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)(F)F)nn3C)CCO2)C1 1838080684 HLSMXGULBVLNCP-ZBEGNZNMSA-N 436.456 0.827 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1C)CCO2 1838355224 JLVAKIFHTJYICB-YLNCNTMDSA-N 442.516 0.627 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1838386373 GWEANKNTCUPISL-CRAIPNDOSA-N 434.541 0.806 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)cc1 1838949568 JHQBRHAKKCJUEZ-NRFANRHFSA-N 428.445 0.080 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1839174216 NDGKPMHPDSSIGJ-JOCHJYFZSA-N 432.473 0.972 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)ccc1F 1839186837 QZTHIMUVZWSWNM-JOCHJYFZSA-N 439.447 0.800 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541357 AZFGKLWRRGCYTL-UZUQRXQVSA-N 438.484 0.738 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839989689 XOALVFJBDHMXNT-OAQYLSRUSA-N 436.509 0.661 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1840157977 FBRHAJCAIQMUJL-VBKZILBWSA-N 449.508 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccc1)CCO2 1840349033 WMFWHUYWCCYUGB-WVUNDPPESA-N 430.505 0.364 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1840842293 AJLCGQFMGGNZPF-HSZRJFAPSA-N 440.500 0.210 30 20 ICED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)c1cccs1 1843418313 VLEBRJBSZICNIF-SNAWJCMRSA-N 438.469 0.735 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1847073439 IESYBLIMBJGOTI-CABCVRRESA-N 431.497 0.354 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 27261289 FHNWJYLBQDFMCQ-UHFFFAOYSA-N 428.474 0.462 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCO1 410118633 BBYYYWOVFVZCKI-KRWDZBQOSA-N 428.536 0.040 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 410394744 DYPLTNBNDOWYNC-NSHDSACASA-N 435.494 0.163 30 20 ICED N#Cc1ncccc1S(=O)(=O)NC1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 428250097 PUCYJQLOKFRHFC-UHFFFAOYSA-N 446.514 0.788 30 20 ICED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 430073570 XWAVGYAVVXGWIK-HNNXBMFYSA-N 429.502 0.839 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCSC 440375546 DLPAFEJHNZJDKU-UHFFFAOYSA-N 432.527 0.393 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O 440384279 OVTBOGSWGXEPKU-UHFFFAOYSA-N 434.477 0.681 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)S(C)(=O)=O 466966807 VNOPGMOLMGXPCF-UHFFFAOYSA-N 442.501 0.636 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 475458554 BBYAXYPQSDTCIR-UHFFFAOYSA-N 426.477 0.708 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 480952920 NZLJYZIBPPUSGF-UHFFFAOYSA-N 439.453 0.882 30 20 ICED C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC 481768240 ZPGUKAAUJGMZBO-MPGHIAIKSA-N 440.518 0.959 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 487612277 XVSHJNCYMFXJHY-OGWOLHLISA-N 437.508 0.805 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 491081684 VJFFSQKDYGHYJI-UHFFFAOYSA-N 439.310 0.843 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)C1=O 499437347 RRTMAUSOKOEUBS-UHFFFAOYSA-N 430.461 0.155 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 508234083 YZWLUGFWPYMUCO-INIZCTEOSA-N 427.548 0.096 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)N(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]1C 509219494 LZNOGIHMODJIKP-SYMSYNOKSA-N 434.588 0.339 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)C1=O 510250736 DAGKDJQPVFMBGY-UHFFFAOYSA-N 436.490 0.941 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514350627 XLJNCKKTCGOYHE-UHFFFAOYSA-N 426.477 0.677 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccccc3-c3cnn(C)c3)CC2)c1C#N 517198330 XICUZWRAXFVXQI-UHFFFAOYSA-N 446.515 0.966 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(C#N)c(OC)c1)CC2 521125425 MAEJIZWEZBVQPY-UHFFFAOYSA-N 428.470 0.680 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccc(C)cc3)c2=O)cn1 523181934 MYHSWFIDFGZRPZ-UHFFFAOYSA-N 449.536 0.786 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccccn3)c2=O)cn1 523864428 RPNWDOITHAHQSI-UHFFFAOYSA-N 438.513 0.166 30 20 ICED Cc1nc([C@H]2CN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)CCO2)n[nH]1 554159973 RWVZTVQDHWJIAB-CRAIPNDOSA-N 441.467 0.809 30 20 ICED Cc1nnc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 558488813 PVEZLGDDGVCLLK-UHFFFAOYSA-N 427.446 0.931 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 562163709 ASPGMKTZJDSILH-MRXNPFEDSA-N 428.470 0.767 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 569973785 QWUXALZMBMJADJ-ZDUSSCGKSA-N 436.515 0.622 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 570092374 LRRIUXJDYUCEJE-UHFFFAOYSA-N 431.478 0.521 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 590908878 MPRRKLDZBNHIII-ZDUSSCGKSA-N 430.486 0.882 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603794678 IUUKDTYRGULMFA-UHFFFAOYSA-N 430.486 0.884 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c(F)c1 725867939 YASBXOSRINKESZ-UHFFFAOYSA-N 425.486 0.191 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCS(C)(=O)=O)c2=O)cn1 729670922 BLBMWTHUCRWURA-UHFFFAOYSA-N 442.522 0.074 30 20 ICED Cc1ccnc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 733867251 YNFYJBJYWJZPCE-OAHLLOKOSA-N 427.442 0.972 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 740518777 MYKUCWKWBRJNEW-GJZGRUSLSA-N 439.559 0.906 30 20 ICED C[C@@H](CC(=O)N(C)CCN(C)C1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742671570 WTHVEXFIJFRWOM-INIZCTEOSA-N 435.594 0.988 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C3CC3)c2=O)cn1 743726190 IEXKVYXMGFRSJD-UHFFFAOYSA-N 436.497 0.624 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 747733451 SYJKSAKSRCJFNK-SONCPKABSA-N 436.512 0.778 30 20 ICED C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 749752138 QUDUJPYPJPRXHZ-MQTUIEQJSA-N 437.522 0.598 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 752343809 ZCPILZVGGTWKQJ-CQSZACIVSA-N 442.540 0.224 30 20 ICED COCCN1C[C@H](C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 754773053 OMYJTZDKUJDERC-LLVKDONJSA-N 430.280 0.621 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(SC)cc2)c1=O 758056037 SZMCRAIQASDUHC-AWEZNQCLSA-N 427.551 0.919 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)Cc1ccccc1 765099970 NMXZCOZJFWZFIX-OAHLLOKOSA-N 435.527 0.956 30 20 ICED C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 774295958 MKJDXKWEYISWSH-BZOJLZEHSA-N 434.543 0.824 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)c2)CC1 781991876 IORXCCCZEPLMHB-UHFFFAOYSA-N 445.505 0.310 30 20 ICED COc1ccc(CNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1C#N 782818924 NKPWTFPHAKAAMY-UHFFFAOYSA-N 439.476 0.816 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 783014427 PCAIJFUROYNFAK-OAHLLOKOSA-N 433.527 0.879 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 784849527 HRLAKUMEBNDVQG-OAHLLOKOSA-N 436.534 0.630 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 787777286 JCNMCVJRVKNUPI-UHFFFAOYSA-N 435.532 0.810 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CCOC 794581806 QLZLWZIATLFUAA-UHFFFAOYSA-N 437.468 0.759 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC=CCC2)cc1 797371895 OCMJXLNFAXBFQY-PTGBLXJZSA-N 433.534 0.816 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)[C@@H]1CCCO1 803453802 TXNZZIJTMZEOPF-PMACEKPBSA-N 447.557 0.862 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCO1 808581495 XAOJSGDRCOQPQU-JYJNAYRXSA-N 434.290 0.968 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1OC 811476157 ZFUHTLHGKPLBAT-UHFFFAOYSA-N 445.501 0.598 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cn1 813563038 GEERTLALNYOFCR-ZFWWWQNUSA-N 437.570 0.427 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 815934468 BLXHSQQEUURHBV-UHFFFAOYSA-N 438.488 0.333 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 917355728 MVQFUKCCJUZESE-UHFFFAOYSA-N 426.542 0.942 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C(=O)NC)c2ccccc2)c1 918957130 SGDZXSIIIAWVOX-LJQANCHMSA-N 445.497 0.911 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1290986176 SRHATJHHTPYDEU-CYBMUJFWSA-N 447.446 0.777 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1298327227 OXJFCYMDZYLVOP-INIZCTEOSA-N 437.547 0.733 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 1317813593 NCRUUMHLAJFWBY-JHJVBQTASA-N 425.488 0.207 30 20 ICED COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccncc1 1319187331 MISTXECYLLATLW-YOEHRIQHSA-N 430.486 0.768 30 20 ICED C=CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1320424703 OUBWYCOKGWOWSA-OAHLLOKOSA-N 426.491 0.954 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)N3CCOCC3)CC2)CC1 1320635994 CUKSVDLUVZEUGW-GOSISDBHSA-N 446.577 0.527 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C#N 1321635745 IAJLFYDQCJFRRR-UHFFFAOYSA-N 432.506 0.863 30 20 ICED CC(=O)N1CCN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1344393358 QLMBHLKKUSEIDW-QURGRASLSA-N 425.489 0.888 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360206901 LDVJOSJHVIBEDB-CXAGYDPISA-N 427.506 0.140 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1510151683 OIQHUBCAVBCVNG-RDBSUJKOSA-N 432.572 0.451 30 20 ICED C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1557540010 SDUGPJFTTTWGEP-NWANDNLSSA-N 442.563 0.480 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 1632533155 OCRALQGGFXPZKP-XIRDDKMYSA-N 434.468 0.721 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 1662313235 YANXRAIWECPUFG-UHFFFAOYSA-N 434.565 0.558 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1690958313 RRKWGCQNZNVBKP-HXUWFJFHSA-N 449.519 0.919 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)C1 1698311436 VDKWMPYKRRTHLW-DLBZAZTESA-N 431.522 0.274 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710877146 RBXCAIGFRZWCDW-QGZVFWFLSA-N 445.549 0.810 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1712711322 JKQUJOBKYPTLJV-DLBZAZTESA-N 443.533 0.613 30 20 ICED CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1743883179 QURMBMMLXRRDTC-FUHWJXTLSA-N 442.568 0.995 30 20 ICED C[C@H](CN1CCCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1761431939 OLNBQEGKCXDRJY-ZACQAIPSSA-N 439.586 0.739 30 20 ICED COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769175466 XWEZHCJLSMOOHF-ZBFHGGJFSA-N 439.586 0.737 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1778362429 YMSCKJNQUHNYJA-NPFVIJTESA-N 435.521 0.458 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779066861 JMDLTUOVGMZOPH-LJQANCHMSA-N 445.438 0.193 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779099244 CDKHWQLEFUYTDS-YHAFYQSGSA-N 433.509 0.859 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030613 VEVRJLVPXVZOIO-LEYRACOBSA-N 446.460 0.783 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062814 SWVBRHYYEZEXSJ-IBGZPJMESA-N 433.415 0.744 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780154218 CEADESLFGNZESF-QFIPXVFZSA-N 429.473 0.829 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1 1780349879 NCSHKLCHNHJOLG-MIZPHKNDSA-N 442.516 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCN(C)C2)C1 1780568068 FSJUNBCLZYSBOV-OANUDSRISA-N 432.565 0.701 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1780800560 JWXOXVLLXRIBCO-RZQQEMMASA-N 425.530 0.572 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780952966 PQRJQQDREGVTCY-KKSFZXQISA-N 428.493 0.903 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CCC1 1785366692 JOEWNBZINJZNRZ-TWKPZUECSA-N 426.473 0.976 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785520173 ZEWSYPBRKMQHNB-QSPRXWTASA-N 430.505 0.347 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789087980 BDBFAMOBMWDNAB-JONQDZQNSA-N 447.492 0.580 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835525 WUURZZOOYZSPIN-CWPLJXCYSA-N 438.933 0.716 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792835642 FDRHPINGDFCTIP-RMFSNUHRSA-N 433.530 0.515 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1793562739 MFPWDTOLHHCFJV-GVRJEKJASA-N 428.489 0.669 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O 1794405954 MMFOAVPRHRAETM-HGKCTWBKSA-N 439.447 0.548 30 20 ICED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cnc2c1cnn2C 1795410066 GZRUPTGGZPPGPO-XOIINTDNSA-N 438.488 0.874 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797985220 GYWTVDJNWRDOLQ-JLVBRIDZSA-N 446.504 0.638 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCOCC1 1799259394 JLLKKKCSCXPMOH-NYUBLWNDSA-N 449.548 0.919 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3c[nH]c(=O)cn3)C4)c2c1 1799884849 ZZFKOVONCUEYNC-IVWMJMPLSA-N 433.428 0.035 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCOC)C2 1802124846 LWKMSUXAVFIKTC-SFNKJDCFSA-N 437.537 0.919 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)CC)[C@@H]1c1cccnc1 1802478600 USLCPBJAIVNYMF-UXTXJKSZSA-N 448.545 0.381 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284010 JWKRZDGHIRJKGV-NWULXVQVSA-N 443.552 0.152 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810361049 NAZKEFAVRKOPAV-ISBANFCZSA-N 445.520 0.339 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1814012175 BZWGVGRNBAUJMK-AWEZNQCLSA-N 437.481 0.659 30 20 ICED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815673147 LMWTXHOXQAIEFR-JSGCOSHPSA-N 429.568 0.451 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1815769932 WNTOOWVZMODQBU-FBBFJSPUSA-N 444.496 0.472 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1819716111 FYVYYIAQPRFYFY-GWCFXTLKSA-N 438.506 0.171 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nn[nH]c2C(F)(F)F)n[nH]1 1820324595 LGIOLWGUGNECCK-VIFPVBQESA-N 425.327 0.941 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)cc1 1829628123 LCZYDQLSZIVRID-YABDQXBESA-N 427.501 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1829765190 LNWQLHMLHRIVMI-LXHZQTKUSA-N 444.488 0.480 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3OC)C2)C1 1829769494 WGUVLSRBVBPOMT-NYPGBQQYSA-N 449.529 0.685 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907665 OHLWVOJBNGPSKS-JOCHJYFZSA-N 428.489 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339326 QWGWWJNNYQHKSF-VGOFRKELSA-N 432.473 0.266 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1830459391 VTTFKHKGOPQNRW-CVDCTZTESA-N 440.500 0.226 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831863531 QTXZMEZLSBRJDE-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1832456709 WIBKEVGYGARSMF-OAQYLSRUSA-N 434.562 0.898 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCc3ccc(F)nc3)CC2)CC1 1833793255 YKZRJZMVELNFBN-UHFFFAOYSA-N 430.480 0.813 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834769039 WSRBGLIDFJDEGF-XGRCMKMKSA-N 448.520 0.756 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1 1835102350 RCASDSOMMVVWEG-ZJSXRUAMSA-N 425.529 0.836 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835642840 SYVNLFPCOJGJAZ-DNVCBOLYSA-N 440.541 0.214 30 20 ICED Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835779391 JZAQQUQXBQSECX-LPYMAVHISA-N 427.509 0.712 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1837288282 FQKZUXOQQKGUOW-WWNBULGVSA-N 427.492 0.994 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1837397652 YSQMIKGEAGAMPD-GCJKJVERSA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1837397995 YQYHXVIBJBVFHC-YWZLYKJASA-N 438.550 0.419 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837531320 JDNKXOMPIWPOIT-OMJZWIOZSA-N 448.476 0.386 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869300 IOLVEJHANHNRSI-INIZCTEOSA-N 435.569 0.791 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838905873 DHYREVZTIVWYIK-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839240546 HHXWIDVNMPSZJD-AVRDEDQJSA-N 434.537 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839694849 VLOKOYJOZGGJRD-HGYBZUDDSA-N 433.530 0.176 30 20 ICED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)COC1 1839777420 PJMDQZOOWHUWFL-DTXYYNOZSA-N 439.509 0.398 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1839806199 FPHWZAQHZRDIFH-JTSKRJEESA-N 435.521 0.866 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1 1840163540 JXCACCRZRLCIST-HRAATJIYSA-N 445.545 0.964 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840425228 NLCONFXEBWSHEU-IUKKYPGJSA-N 447.532 0.878 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840429972 JSCUUEVUCUVZJF-GCJKJVERSA-N 446.552 0.257 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1840717176 LHFNTWFWSBVOIY-YCRPNKLZSA-N 429.477 0.052 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840955949 UOCMLNWTLLIPCF-QFIPXVFZSA-N 447.532 0.914 30 20 ICED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(C#N)c(Cl)c1 15799949 TTZLCMDPJUUDMM-JTQLQIEISA-N 444.835 0.529 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 16621883 XEBAEXFFNAAWIW-UHFFFAOYSA-N 433.465 0.825 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)C[C@@H](C)O1 106046403 MQBIOXZEUPPCRM-FUHIMQAGSA-N 447.561 0.635 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)n1 436960152 QDCMMLHKJSXHOE-UHFFFAOYSA-N 445.439 0.768 30 20 ICED C[C@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC1 440346845 XXKBYQCAQZBMHP-GFCCVEGCSA-N 433.465 1.246 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCOc1ccc(C#N)cc1)CC2 442259977 MVMJEGIHKYACHU-UHFFFAOYSA-N 442.497 0.941 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CCSC)CC1 443566031 PERBCCYCERJKTO-UHFFFAOYSA-N 442.610 0.940 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cnn1-c1cccc(C#N)c1 443695860 CRHPDUILXLZEGF-HNNXBMFYSA-N 438.488 0.687 30 20 ICED CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 446879866 VBVBVDIWHPXIET-UHFFFAOYSA-N 437.522 0.332 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CCN(c2ccccn2)CC1 460589230 VWHWKRHRDAEFFT-UHFFFAOYSA-N 430.472 1.566 30 20 ICED CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460613637 RNDRLGBUFKNVIQ-KRWDZBQOSA-N 437.504 1.541 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 461381479 NNMFEEQYCHBTSU-UHFFFAOYSA-N 433.917 0.954 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 462084933 QJAMRCYRZFYBFQ-MRXNPFEDSA-N 433.494 0.749 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CC3)c2=O)n1 476996836 PXEZVXGJKOTKMM-UHFFFAOYSA-N 428.514 0.694 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)n1 477456612 OLYSADSKNPCJCF-UHFFFAOYSA-N 442.541 0.721 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 479031025 KTRIQXYEPPABJG-UHFFFAOYSA-N 425.492 0.487 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 481276917 PPLABENUIWPWSS-QAPCUYQASA-N 435.550 0.284 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 482413234 MDGOWLSTPMLMFO-BBRMVZONSA-N 430.490 0.189 30 20 ICED CN1CCC[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC[C@@H]21 483482902 DBAWBHBRPNGZQI-PMACEKPBSA-N 445.589 0.807 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 490514498 VLDWPSQXUXYIAQ-GOSISDBHSA-N 425.493 0.610 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 491171280 JPWXKXPQKYUHSF-UHFFFAOYSA-N 431.456 0.855 30 20 ICED CN1CCN(C(=O)CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 501053308 ULMLOFVIRWMJAD-UHFFFAOYSA-N 438.536 0.722 30 20 ICED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508800112 DPAOUTXEPDQCCL-IBGZPJMESA-N 442.568 0.695 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)c2cccnc2)cc1 510941010 IFVKISULAAAGPK-INIZCTEOSA-N 432.502 0.719 30 20 ICED CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 518520987 YTIZJJWMPSUNHC-UHFFFAOYSA-N 426.458 0.795 30 20 ICED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C 521375926 GUDGLDCHZLBBHT-INIZCTEOSA-N 428.518 0.981 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 533238098 SDLFQZNMIRDWLQ-UHFFFAOYSA-N 438.532 0.657 30 20 ICED COC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 536073744 ZOEHZPWCYLNSBE-GOSISDBHSA-N 427.479 0.383 30 20 ICED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 550106107 BEBJFYMXOAJUON-UHFFFAOYSA-N 440.525 0.308 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cc1 550197451 RUCQKQBUBUCDQM-UHFFFAOYSA-N 449.492 0.852 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 552751124 XOCKTFPJSVWPJI-GOSISDBHSA-N 437.548 0.935 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)c1C#N 554311140 WLCVLBRCDYNUMS-HNNXBMFYSA-N 429.447 0.695 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 555732276 GGBYYVPSFKJXQS-UXHICEINSA-N 441.532 0.643 30 20 ICED C[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)N1CCOCC1 561666935 MMFSQAMRSXEQQM-KGLIPLIRSA-N 430.896 1.561 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 561741002 RZAAGZSTZQLEHY-LJQANCHMSA-N 430.549 0.825 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 578258734 BYGJKDLBCIULJO-LDJQZATESA-N 426.473 0.182 30 20 ICED CN(C)CCCOc1cnccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 580375101 QALDVUFBOJMPSC-UHFFFAOYSA-N 427.509 1.490 30 20 ICED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582456780 JXGXEIULBRYRRI-OAHLLOKOSA-N 425.449 0.173 30 20 ICED C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 582512684 RMZZSIRHFSJIQE-UHFFFAOYSA-N 435.506 0.668 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CCN2C1=O 583595240 JOAOFKQFNXJSBX-HNNXBMFYSA-N 436.476 0.682 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 589929745 PGZGJTBZYKAZLE-UHFFFAOYSA-N 435.531 0.384 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119169 GETVKNIRBAFZQA-UHFFFAOYSA-N 443.550 0.625 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270412 YFVLGEUGSXWYIX-UHFFFAOYSA-N 438.553 0.868 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 604603761 ZGAGJTTYUDUGMB-UHFFFAOYSA-N 427.479 0.867 30 20 ICED COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 609007946 XHOYOKOHRPAFQL-ZDUSSCGKSA-N 437.478 0.414 30 20 ICED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 609283107 ZGMCVNNHDCKFJM-AWEZNQCLSA-N 436.490 0.559 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2=O)cc1 617091886 OBUIGBRXQDUANU-LJQANCHMSA-N 431.452 0.700 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(=O)N(C)C)c1=O 684535089 HGJPNWHIKOZQCK-AWEZNQCLSA-N 445.566 0.867 30 20 ICED N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 728915735 WHBBCQSNJLTFJO-INIZCTEOSA-N 440.547 0.021 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 729257282 ZXHCCTFKRONIAQ-INIZCTEOSA-N 432.546 0.295 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 731477174 SRASSRVTJSZIGU-UHFFFAOYSA-N 435.532 0.071 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466162 LQRVCXYLRNGEDH-DVSFIDLUSA-N 432.525 0.241 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CC(F)(F)F)C1=O 732560711 SEQZKDLJTZNJQU-LBPRGKRZSA-N 432.424 0.785 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(CC)c3)c2=O)c1 732563414 YJVSAQRNUQPUAN-UHFFFAOYSA-N 429.505 0.878 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 732563668 LYMZLQNPHGEVFF-INIZCTEOSA-N 426.498 0.706 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795802 YXRXRXQNNMWNOJ-UHFFFAOYSA-N 429.546 0.705 30 20 ICED CNC(=O)COc1cccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742562346 FWDKACWEVLOULL-AWEZNQCLSA-N 444.513 0.945 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 743424550 SVGDTUVVNMUODR-PYCFMQQDSA-N 433.534 0.745 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSc1ccccc1C#N 743454736 MOMOPJJCLFSRLR-UHFFFAOYSA-N 448.526 0.966 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 754706262 FNMCONUYDWBJHZ-AEFFLSMTSA-N 425.470 0.505 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(Cc2cccs2)C1=O 756875700 JVNSPZZRWUMUEJ-CYBMUJFWSA-N 425.474 0.869 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 757578597 PBKOPNLMTJPXTG-OCCSQVGLSA-N 434.474 0.706 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758079975 YILCGZPNKBBCHI-UHFFFAOYSA-N 425.510 0.978 30 20 ICED C#CCN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 758692102 HVMZNSZJVALRQY-AWEZNQCLSA-N 429.476 0.200 30 20 ICED C[C@@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)NO1 765375847 LAWLZWXGSGGMSY-RWYMCXKJSA-N 429.520 0.619 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)[C@H]1CCCO1 773790224 ARXGORHTHCDXFB-PKOBYXMFSA-N 446.479 0.722 30 20 ICED C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)/N=C1/NS(=O)(=O)c2ccccc21 775550910 PGRADXXWXOLFRW-LBPRGKRZSA-N 429.506 0.772 30 20 ICED C#CCN=c1nc(N2CC(O)(c3ccccc3)C2)[nH]c(N2CC(O)(c3ccccc3)C2)n1 804836641 CFIFUVUXVRIFCQ-UHFFFAOYSA-N 428.496 0.754 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCO1 808581496 XAOJSGDRCOQPQU-XHSDSOJGSA-N 434.290 0.968 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cnc(Br)n1 813208757 KYHYPKLYZCMSNL-JTQLQIEISA-N 428.268 0.822 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 853607472 ZTKPLGSZTCMBJH-ZDUSSCGKSA-N 438.462 0.154 30 20 ICED CCn1cc(C#N)c(=O)n(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)c1=O 915794703 SIOPKXFIKQFFNA-UHFFFAOYSA-N 445.457 0.360 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 916199616 JAKBRGUSMUFSJV-UHFFFAOYSA-N 427.526 0.535 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 917354250 LTQACTAMIFVJTB-UHFFFAOYSA-N 448.888 0.923 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 918730133 PWBCSLXUFJORJF-UHFFFAOYSA-N 439.472 0.257 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1293218483 RBJBSGGBAHFOEP-KRWDZBQOSA-N 437.504 0.814 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1([S@@](C)=O)CC1 1303850062 PWIXJFDTOPUBCF-ZPUDIAPOSA-N 428.584 0.929 30 20 ICED COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1315908087 ZKGSXFGMUUEVJU-UZLBHIALSA-N 431.518 0.839 30 20 ICED C=CC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1321028127 LHYZDXUUAHKKDY-INIZCTEOSA-N 446.547 0.802 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1460152345 RIKQSARDZVCAME-CQSZACIVSA-N 433.515 0.967 30 20 ICED CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1=O 1502235670 UQQREKDIXJUICA-HZPDHXFCSA-N 432.506 0.139 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1517536263 MUNQBYAOSXLMGF-OXJNMPFZSA-N 428.518 0.636 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1517629149 VQXXIXITWCJXRI-INIZCTEOSA-N 429.506 0.177 30 20 ICED Cn1c(O)nc(N2CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1=O 1639534347 UKDZWPPEHOQALJ-MRXNPFEDSA-N 438.488 0.908 30 20 ICED CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1711620477 TYGPVJVENPIICL-OLMNPRSZSA-N 426.543 0.824 30 20 ICED CO[C@@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCOC1 1729941939 OWOGIRCJAOEVPX-KBXCAEBGSA-N 426.543 0.824 30 20 ICED CC(C)NC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1741701917 RKPWAHUMCLOSLW-CVEARBPZSA-N 439.524 0.683 30 20 ICED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747535069 NKEPAMFPWVNDAA-UHFFFAOYSA-N 438.536 0.505 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1750967054 QVMIMUCRCFIMMP-QGZVFWFLSA-N 449.581 0.418 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761360519 OHWOGPOQBZKKHS-BRWVUGGUSA-N 430.557 0.910 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CCC1 1780937635 DUSTWVXQXVQYQG-OAQYLSRUSA-N 443.529 0.415 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781057959 WWIUKEMDVYVCRR-STSQHVNTSA-N 447.532 0.727 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)c(C#N)c1 1781176095 VZBGKKMGWFGEOI-VFNWGFHPSA-N 439.476 0.187 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccc(OC)cc3)[C@H]2C1 1783766049 OWCBSMOPFSJABU-ONKRVSLGSA-N 430.501 0.747 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4ccccc4[C@H]3O)[C@H]2C1 1784152142 PEDHFZXXUZQRES-FMKPBVRQSA-N 426.469 0.350 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725189 KOUUVRMBRMDPHH-ZJOUEHCJSA-N 442.516 0.249 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788775695 ORCCMOZUEZOIDR-BURNTYAHSA-N 442.516 0.497 30 20 ICED O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794116808 IJQQJTIFFHBQBI-KXJCPHRKSA-N 447.561 0.539 30 20 ICED 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](O)C1 1795080109 WOHSDOHIAXGTJA-IWSXDTNSSA-N 436.509 0.108 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)cc1C#N 1795392133 ICLPFHATFMXSOR-BMQTXXJKSA-N 440.500 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104514 DNTQYHAJRLFVPN-JNNRSPCRSA-N 426.473 0.208 30 20 ICED 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)S)C2 1796395055 QCEXLBABQLHNFD-RMEBNNNOSA-N 431.555 0.434 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797775803 JZAHKCOMIGVTNW-ZTWUFANWSA-N 446.508 0.396 30 20 ICED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)no1 1797838189 YHQCJHLJZFVWRK-MBTWDSIQSA-N 443.460 0.015 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 1798009644 CBWYKBGCAMKAHC-XOIINTDNSA-N 440.416 0.715 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OC(C)(C)C 1800591976 XFAUFYINEYCLKL-MBHZMGKVSA-N 436.509 0.326 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801158259 GAFXVDCNLFGHAZ-JYYAWHABSA-N 446.504 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)c1ccccn1 1801211149 YESURDVAIICYNR-VKDSVZAHSA-N 426.517 0.807 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1803571490 PZMITPLHLIXBIV-HFTRVMKXSA-N 432.477 0.222 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1803905048 QLBBTDWQKHRWJQ-YESZJQIVSA-N 448.520 0.868 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806078033 HWMFNJVMHIJZIJ-YJBOKZPZSA-N 435.488 0.891 30 20 ICED COC(=O)C12CC(C(=O)NC[C@H]3CCN(C(=O)C#CC(=O)O)[C@H]3c3cccnc3)(C1)C2 1812838838 TZRNMTQMDAEADO-JHLZSADMSA-N 425.441 0.519 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880419 PNAYYBRPEFNONI-ZTFGCOKTSA-N 446.460 0.019 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1820897088 DBHFKZIDMQUHEO-AWEZNQCLSA-N 449.464 0.454 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826822696 MXKLKAVDNJNSKX-QUCXKQBISA-N 431.537 0.911 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)C1(O)CCC1 1829739303 AYWKGGDEKXILAR-AVBGGIPMSA-N 436.553 0.466 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1829783586 RRFQIFCYJXUXAL-QFIPXVFZSA-N 445.520 0.638 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1830641947 IDEIVGJMSPPRIB-VGOFRKELSA-N 436.553 0.919 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831225687 XXZAPHRSUGGAQC-YYDVJCTNSA-N 432.517 0.836 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1831388348 XIEGMSGNYKBFFB-VGOFRKELSA-N 432.521 0.746 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831426418 LFQZUOCMQKGNNQ-HTAPYJJXSA-N 428.489 0.995 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1=O 1831888062 OLQAWRSZUDDVOV-HSZRJFAPSA-N 436.468 0.641 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1832456335 MZRFWGICRPSALQ-UZLBHIALSA-N 427.567 0.667 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832493098 STXIFEJRHSFZQZ-PGRDOPGGSA-N 429.473 0.833 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833702822 MTEGGRAODMAJRN-LJQANCHMSA-N 426.514 0.857 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1833813386 CENLADPMFCNTNG-FFCJBUTOSA-N 427.461 0.567 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n[nH]1 1833824085 CBLWBPJWNOMEDZ-JOCHJYFZSA-N 437.456 0.868 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835100286 KTJFVQSCQXBVFO-MQHZAWOVSA-N 438.528 0.966 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835675173 WBXXPAQRGZZPBR-NRFANRHFSA-N 433.484 0.573 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998366 WMBFHTJXFFDOHL-LAUBAEHRSA-N 434.493 0.106 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cccnc4C(N)=O)CC3)CC2)c1 1836166974 HVPIPDPOCFSCPF-UHFFFAOYSA-N 449.515 0.879 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CSCC(=O)OC)CC2)CC1 1836856133 RJERFDNHRRJEEJ-INIZCTEOSA-N 440.562 0.930 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866695 KDBCZUYMULVIIK-YLJYHZDGSA-N 433.534 0.754 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)c1 1837046549 LOPODUHJPHCDHO-UHFFFAOYSA-N 442.476 0.050 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1837399457 UJGLWNKSTZUARV-FOIQADDNSA-N 440.928 0.717 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837446624 FZWKEVICCKZUCL-WXYWCZPYSA-N 436.553 0.466 30 20 ICED N[C@H](CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccnc1 1837900267 RXPIZNYIAIYOHV-LJQANCHMSA-N 428.489 0.558 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838405488 JGAXYLKQMPXRMP-ODAUKNCYSA-N 441.525 0.523 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc(Cl)cn4)C3)C2)c1 1838731977 DXLBOIBVEGMVON-LJQANCHMSA-N 430.852 0.714 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838829947 ZXKTZEDOQHFLNA-QFIPXVFZSA-N 448.520 0.928 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)c1=O 1838905527 KFDIJWPCAFNVPK-QHCPKHFHSA-N 436.468 0.641 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(C#N)c1 1839131265 AAEXEHRKGLFBGR-XMMPIXPASA-N 437.496 0.979 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839175249 XBXULKBOJKJBBK-OAQYLSRUSA-N 448.476 0.065 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1839175729 AYOZVZYYUIOAPI-QFIPXVFZSA-N 437.537 0.438 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)ccc1F 1839187649 PAMBXERBORIOGB-JOCHJYFZSA-N 439.447 0.800 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222711 WZRHXTWEULYVES-ZVYDBLGCSA-N 436.509 0.102 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718545 AIONKOJKMNZBSP-IERDGZPVSA-N 448.476 0.425 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)C2)C1 1839811739 MFTIDNKRTFKQJI-OIMFZILRSA-N 447.532 0.864 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1)C(F)(F)F 1839894591 HDZVVIKEBXFWGA-KRWDZBQOSA-N 434.411 0.905 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216897 VRUBSZFZMNLVCK-QHCPKHFHSA-N 432.517 0.836 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1840381326 WXRXXIUIFIPVHW-FQEVSTJZSA-N 442.501 0.539 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840493116 AOOVMCQDXQAUFE-QVKFZJNVSA-N 426.477 0.723 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1840908489 BWBRXQHYAQWYFA-IIBYNOLFSA-N 439.509 0.006 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1847074350 UKUNYNPABOGZMT-INIZCTEOSA-N 443.504 0.975 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)C(=O)C1 1847122529 UKSKRSUTPKQMJV-UHFFFAOYSA-N 445.520 0.573 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)cc1 15036836 VEGNMSMRRHXYDT-UHFFFAOYSA-N 447.542 0.952 30 20 ICED CCN(CCC#N)S(=O)(=O)NC1CCC(NS(=O)(=O)N(CC)CCC#N)CC1 409538818 XMAACGQBGYNJJN-UHFFFAOYSA-N 434.588 0.438 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCc1cccnc1 440384719 ABPHBGOSNJVRHJ-UHFFFAOYSA-N 438.509 0.715 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cn1 441748286 FPCUMBGTVVWRMC-RBUKOAKNSA-N 437.504 0.962 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 446531626 NGGUFPJWUQQTLI-UHFFFAOYSA-N 427.505 0.936 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447466114 YSPQNHYUCJNJFP-HZPDHXFCSA-N 445.451 0.694 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464831734 PLOHDQKLXZVQGZ-MRXNPFEDSA-N 428.541 0.559 30 20 ICED C=CC[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 466380372 NHRUMSSWXSXVAU-CQSZACIVSA-N 430.552 0.705 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 472340478 NDERCVQPXPPDAM-GFCCVEGCSA-N 439.494 0.790 30 20 ICED N#CC[C@@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 476068742 AUNNFEUJLAKTQQ-RBUKOAKNSA-N 432.546 0.521 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)C2=O)cc1 486482603 AENSKHOPSJFKMW-HVTWWXFQSA-N 447.495 0.765 30 20 ICED Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 489220580 SLHOUSGOIRNCEP-INIZCTEOSA-N 446.467 0.343 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cn(C)nc3-c3ccccc3)CC2)c1C#N 495947189 IODLRBAVRCLONB-UHFFFAOYSA-N 446.515 0.966 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1=O 499045540 NJSNFZUVJSMFAF-INIZCTEOSA-N 434.880 0.806 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 502570101 NWJPGTLMQLQJRS-UHFFFAOYSA-N 439.494 0.338 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504700232 XUALOUJWONHJEW-DLBZAZTESA-N 447.517 0.694 30 20 ICED N#CCCN(Cc1ccccn1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 505180212 QTWOCMMIUSMNEM-UHFFFAOYSA-N 427.486 0.758 30 20 ICED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513974576 PUXLBFDHVYEFRZ-SEPYTNNBSA-N 431.500 0.859 30 20 ICED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 517612565 ASLUGJWTJYQDOR-UHFFFAOYSA-N 441.467 0.444 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 522977851 RYFUNEIFHODHPE-CYBMUJFWSA-N 428.445 0.498 30 20 ICED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538255911 UWIGQABXJDNXFE-UHFFFAOYSA-N 427.509 0.872 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 541080982 MTPQCTFPBXKKRT-UHFFFAOYSA-N 445.482 0.945 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCN(C)CC1 550383215 DVIJWFNFRRGPKE-NRFANRHFSA-N 444.555 0.734 30 20 ICED COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 553959717 WAYXXROXDOMNBE-UHFFFAOYSA-N 428.537 0.607 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(C)c1=O 559156105 IYNOPKAHZQNEBG-UHFFFAOYSA-N 437.525 0.846 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 560731245 DCBPMDUTOFIOQN-CYBMUJFWSA-N 441.453 0.412 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 586824183 HOWLFQMDXJBLBO-ZDUSSCGKSA-N 440.426 0.825 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)cn1C 609457235 OXUSNWXXJQIYLV-SFHVURJKSA-N 436.582 0.822 30 20 ICED COCCc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n(C)n1 610869591 RMIHRGHLDLZUSX-UHFFFAOYSA-N 427.465 0.633 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1 611359457 KZJCYROYMJXPRE-UHFFFAOYSA-N 426.408 0.949 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCNS(=O)(=O)Cc1ccon1 613160990 CUPGBIDIDNXPMS-UHFFFAOYSA-N 430.450 0.677 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccsc2Cl)c1=O 616255449 QNLKLWKTOCGAOS-UHFFFAOYSA-N 441.962 0.927 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 725829900 ZRZPVQIDVFAWSY-UHFFFAOYSA-N 425.532 0.277 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 730531665 VBHIUMJOKOSGSJ-HZHRSRAPSA-N 429.462 0.523 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)cc1OC 731236589 YUQWNAPZDYSWIW-UHFFFAOYSA-N 425.463 0.287 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)cc1 731347471 GUJVZTBGGHQGLY-UHFFFAOYSA-N 427.548 0.484 30 20 ICED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)N1CCS(=O)(=O)CC1 732910020 JHVCCIZUUSOSCS-NSHDSACASA-N 437.371 0.940 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1 734697467 UNCTZYGYVCUKDK-UHFFFAOYSA-N 439.493 0.995 30 20 ICED COc1ccc(NC(=O)COC(=O)C2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 736839275 VBUKHJRFVWXROC-UHFFFAOYSA-N 437.474 0.892 30 20 ICED COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1C#N 747446859 KHMPAPVPUITAOI-HNNXBMFYSA-N 428.470 0.884 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 750299610 BBXKYWZGOCXQTK-MPUISCFQSA-N 443.551 0.655 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)OC(C)(C)C 750811268 FXCQEZUKMZBRLK-LBPRGKRZSA-N 425.463 0.226 30 20 ICED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 752290960 FTQLQVNHNYAJHX-KRWDZBQOSA-N 444.513 0.215 30 20 ICED C=CCc1cc(OC)cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1O 754722884 LJZREROFUVQYGX-SFHVURJKSA-N 444.575 0.764 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 757291668 KBNJUQPCEGMBCO-KRWDZBQOSA-N 448.531 0.776 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 757291815 LTRLEDVGRPRRKC-OAHLLOKOSA-N 449.471 0.976 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccon1 765146155 WLPPBZLQZHWNIM-UHFFFAOYSA-N 440.529 0.716 30 20 ICED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771075282 YTXQBFVNNZCMTK-LJQANCHMSA-N 448.501 0.911 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 772134651 VZWRMYWHPUOIHF-ROUUACIJSA-N 426.535 0.070 30 20 ICED C#CCN(C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 775222228 MMDUQDXTTOKNRN-UHFFFAOYSA-N 433.530 0.728 30 20 ICED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@@H]1CCCO1 775332930 UJVSMXOPYFJANX-SJORKVTESA-N 438.502 0.635 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1=CC(=O)n3c(nc4ccccc43)[C@H]1C#N)C2 786433244 XNATZSKZOVEYIN-HNNXBMFYSA-N 446.471 0.186 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)CC2)cn1C 787678875 WKBSSMIDFSXCPC-CYBMUJFWSA-N 437.522 0.623 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 787776305 HHEDAEKUTIBADO-GOSISDBHSA-N 449.515 0.499 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)c1 787972138 PTTLJMMCGNJENC-KNKKCGMZSA-N 444.460 0.666 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 789187484 ZKMPJTOCODGPBR-ARFHVFGLSA-N 441.554 0.955 30 20 ICED N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 795824755 MDMGTHFZMIPXJF-GOSISDBHSA-N 440.481 0.790 30 20 ICED C[C@H]1C(=O)CC[C@@H]1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796232592 KUJPQKTYYQBQTH-HZPDHXFCSA-N 447.513 0.940 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 796276406 XLDOEXQSDUHQPV-UHFFFAOYSA-N 432.414 0.604 30 20 ICED C[C@H](C(=O)OCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)n1cnc(C#N)n1 798741598 UMIHHHZFDTXCDB-SNVBAGLBSA-N 425.384 0.885 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C#N 809501105 ACRGWWLICDUCPX-CQSZACIVSA-N 434.460 0.358 30 20 ICED C[C@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1sc2c(c1C#N)CCC2 815260124 KBLNTUDFCFINIA-WDEREUQCSA-N 426.520 0.894 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1C 838956217 JLAZVBUVEZECHQ-UHFFFAOYSA-N 437.525 0.515 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OC)c2)c(=O)n1CCOC 916200539 FSRMANVVFLNVBH-UHFFFAOYSA-N 443.525 0.769 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)nc2)CC1 916333621 XKPMCWVRTVJNKK-UHFFFAOYSA-N 445.461 0.694 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NCCNc3ncccc3C#N)cc2S1(=O)=O 917156957 MFCJKPHZTJYXRR-UHFFFAOYSA-N 429.458 0.586 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1 918432175 WWPNIJOXUURBGU-UIFJYSFJSA-N 449.533 0.552 30 20 ICED COCCn1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ccc1=O 918617391 ULADLLFYMWKCRS-OQKWZONESA-N 433.490 0.955 30 20 ICED CCN(CCC#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 918803764 CVBCLYGSBAAUQU-YJBOKZPZSA-N 425.507 0.637 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1253950510 SPWXTDQZQOFOFD-FMQUCBEESA-N 447.517 0.623 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCSCC1 1288825997 OGHGKQKQDNTMQF-BBRMVZONSA-N 431.563 0.379 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1303004096 MGSCAPXUVYUTEU-ZDUSSCGKSA-N 435.414 0.590 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1303405240 MRQUDCUWUAGGSA-NVXWUHKLSA-N 449.581 0.418 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509784290 HLFKPDARDCZHDR-DOTOQJQBSA-N 437.570 0.286 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 1611706773 FRRBNLYVTQOMDA-GXTWGEPZSA-N 436.567 0.570 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1618693389 KKSYYIGLQKCABG-SFHVURJKSA-N 435.492 0.529 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1619548944 ZYFORZIBEGPNKA-OAQYLSRUSA-N 426.477 0.263 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1620353660 QQVJZGBDDGLKOM-HNNXBMFYSA-N 435.510 0.630 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C#N)c1=O 1650898150 MTDGSHNUOJOMOE-UHFFFAOYSA-N 427.845 0.249 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1712881161 XBWDGNBQBGTXBA-SFHVURJKSA-N 437.460 0.316 30 20 ICED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1748415749 CMDDMGHGCQCSAO-KBRIMQKVSA-N 437.570 0.490 30 20 ICED Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1762318666 YBVPHPQYLBAWHO-ZDUSSCGKSA-N 427.494 0.668 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cc[nH]n4)n4ccccc34)C2)C1 1778377429 LEPRRWGXVPGNPV-QHCPKHFHSA-N 447.451 0.861 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168193 FTSINDFNIYSWAQ-QRQCRPRQSA-N 428.489 0.925 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781391266 QMJBNBBTPXLVBV-HRAATJIYSA-N 431.493 0.442 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1782179949 OUHNLVIVEVBAPP-UJKGCTCZSA-N 445.582 0.704 30 20 ICED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)S)C2)cn2[nH]cnc(=O)c12 1782183660 AAQPDLYRECQNRJ-WAWZGNHOSA-N 433.534 0.777 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782670377 IDRPPHYOADNICQ-JKSBSHDWSA-N 445.520 0.831 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783616750 XCGMJULANWLZMT-LDNFRZNASA-N 443.566 0.505 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)cn2[nH]cnc(=O)c12 1783683605 VBCSFZSMHFHLPH-BPUTZDHNSA-N 426.477 0.474 30 20 ICED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1784034075 GYEVNFIRBWJEMS-BREAHSJASA-N 431.514 0.843 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373825 KABZWBHJZYAYPF-DENIHFKCSA-N 429.521 0.480 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)OC(C)(C)C)[C@H]2C1 1786621450 CVIBQKMDUCIEQQ-XSLAGTTESA-N 437.537 0.871 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c1 1786724674 ULCKFQQJSMZTEB-YYWHXJBOSA-N 442.516 0.492 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21)C(=O)O 1786897832 VWMFZVOYGSUOAP-PLYYQAHHSA-N 432.452 0.353 30 20 ICED COc1ccc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)[nH]c2c1 1787907724 ZIASJRZORLTNAB-QOKNQOGYSA-N 425.441 0.858 30 20 ICED 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 1791258284 JHVIFQPJHTUIEZ-LXFSFDBISA-N 431.555 0.170 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837803 CIPZUXNFTPCFDB-HPNQWNLUSA-N 429.904 0.902 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c(O)n1 1793162062 IUGKOLUEZYFJJB-CCWDJLKJSA-N 444.488 0.561 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)Nc1ccc(Br)cn1 1794114451 MKJJJHRRIVCBEG-DBWKPXFBSA-N 449.305 0.786 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)c(O)n1 1795449088 LJCIERBPWXCPOV-VPTLXERWSA-N 442.516 0.731 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796426049 GMWVQSOSVOHIEJ-LBELIVKGSA-N 430.477 0.590 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Cn2cncn2)c1 1797900212 RBHYWTGEEJXSQO-XUMLPFHTSA-N 438.488 0.698 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797927065 RJTQFSXQYGKWHB-OJOLTUEWSA-N 438.525 0.410 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)CC1 1798430361 WTHRJLKLFGKEQE-RGSMWSOWSA-N 432.569 0.260 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1799305171 SOEWSWMCCIABAO-JLVBRIDZSA-N 434.518 0.668 30 20 ICED 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 1799353758 KYZANMKYESZQFG-RMEBNNNOSA-N 431.555 0.170 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799640940 FDKAVGLIVNRLJC-XEMDLRDOSA-N 431.514 0.862 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1800546275 OWWJQKKIQQRUHY-ALXJQNPVSA-N 434.480 0.857 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2ccnn2)c(O)n1 1801390518 WOLPUNYFTBVAGB-CWPLJXCYSA-N 440.504 0.791 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802475477 GSXLKKJYXGPROS-DCTNLQOOSA-N 442.520 0.217 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803563018 GPVAETUCKNLZML-CDMIOBSGSA-N 440.500 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)C1 1804858099 ZCUKRSPHQBZGPE-RMUOZIPVSA-N 435.521 0.692 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1807047198 CJXJUZBLRNZNCR-DYXWJJEUSA-N 434.500 0.866 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)c1 1811538518 FYHNLDIOWNKJHV-CRAIPNDOSA-N 446.404 0.326 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812341002 WOHCCLFAOFSBJW-BLIXFSHQSA-N 425.489 0.935 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@H]1c1cccnc1 1813264947 TUAOQIZTSYBDEX-YCLSTDHLSA-N 429.477 0.302 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1820966157 DQXQYWJYSRUMDS-OCCSQVGLSA-N 433.469 0.755 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820970323 YQZUZUOCBPRBFZ-OCCSQVGLSA-N 444.429 0.928 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)Cn3cnnn3)CC4)c2c1 1823892449 JLHZYOZNYMEJAG-NSHDSACASA-N 448.472 0.804 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907861 SPPWGDDMLLKADM-ZHRRBRCNSA-N 428.489 0.082 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)cc1 1830574032 VYGJUFXCOMJNHD-YABDQXBESA-N 427.501 0.718 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831392018 HXAGBHBIIWORIS-GAJHUEQPSA-N 444.484 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1831393656 ZKWGJMZPVAUEJJ-GAJHUEQPSA-N 428.485 0.730 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1831397839 XXSDQQRYBTUTLS-FDDCHVKYSA-N 429.517 0.861 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831447048 RDNIMCLTAGQNDW-KXBFYZLASA-N 445.538 0.150 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671549 REESPVXCXUFAIE-MSOLQXFVSA-N 436.461 0.189 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)C(F)(F)F 1832381566 YSDQCHHIHMWFDC-KRWDZBQOSA-N 432.399 0.170 30 20 ICED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834633705 REFRNIHNZSTNDZ-UHFFFAOYSA-N 432.565 0.345 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc(O)n[nH]1 1834770860 ZNWIRIIBEGUGEV-PXLXIMEGSA-N 431.541 0.772 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835643179 SWBMZUTZZHJOGI-LJQANCHMSA-N 442.582 0.542 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1835732515 ZVXHMLAIRSJZAW-LKZQPVPRSA-N 432.569 0.308 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)C(O)O)CC4)CC3)c2c1 1836632435 PRDIXFZSCRTEPM-UHFFFAOYSA-N 427.461 0.357 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836927241 SQEBVUIAJPTCHT-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073376 FZHWKCILMUWNFN-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147521 PHLOCNHNHIMPNY-HJPURHCSSA-N 443.500 0.591 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837489064 YOMQVYBDNDDEHA-OAQYLSRUSA-N 433.530 0.912 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837525587 XOLAMCXEVNTGIF-WCNTUGILSA-N 449.508 0.328 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CC1 1838733346 ZVIAHSMLHPIFNW-JOCHJYFZSA-N 429.521 0.688 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838834405 ZMWDAGDUAYNFIT-HRAATJIYSA-N 436.509 0.072 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c1 1839453788 CZTSDQQPIYOJSW-HSZRJFAPSA-N 437.500 0.913 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633971 YRPRZLRGRBGBID-CVDCTZTESA-N 439.516 0.759 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839838805 OHKQAHDBDRVXRL-HTAPYJJXSA-N 430.505 0.480 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1839897623 DXPBXMLBVGBZDY-PDEZOQIOSA-N 433.461 0.108 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840157106 FXGLHPCJVWQHHA-AUUYWEPGSA-N 442.559 0.478 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)s1 1840163430 SXIAITQEISXMKC-ORAYPTAESA-N 442.559 0.852 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380445 APDOJBWRPKTCLN-ZKSMDFIPSA-N 448.505 0.065 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840563189 GNDQRHBVVQXLQA-QFIPXVFZSA-N 427.457 0.698 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@H](F)C1 1846194793 PWGORHCGEFYQAK-HUUCEWRRSA-N 437.468 0.873 30 20 ICED N#CC1(C(=O)N2CCCC23CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)CCC1 1846972275 UMQAJJGRSDBZDL-UHFFFAOYSA-N 436.516 0.919 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1847084609 YMPYKKZHIUVZOK-PDSXEYIOSA-N 445.524 0.907 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC[C@@H]1CCCO1 18759947 ZNTLPWNTOAEAOG-NYHFZMIOSA-N 427.457 0.990 30 20 ICED CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 105508791 NMHWGFZQPKRISC-UHFFFAOYSA-N 447.521 0.656 30 20 ICED N/C(=N/CCC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1 303874290 CYYRWSWLTZDDSG-HNNXBMFYSA-N 427.958 0.470 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(C1CC1)S(=O)(=O)N(CC)C[C@@H](C)C#N 410128642 UIVQUBUTOVZGRW-CVEARBPZSA-N 448.615 0.493 30 20 ICED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)C1=O 410416505 CYYFBQDFXZNBOK-OAHLLOKOSA-N 425.507 0.776 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)C1=O 427030953 ORVZIFCCQIVOMB-UHFFFAOYSA-N 441.469 0.666 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1S(=O)(=O)NCC#N 427601763 MIHDJQYZIKEVBS-MRXNPFEDSA-N 440.547 0.437 30 20 ICED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C)c1=O 429800626 JJIKXXHPHXDKES-UHFFFAOYSA-N 437.525 0.916 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccc(F)cc1C#N 435636567 NKLBERCQAIZQTK-UHFFFAOYSA-N 434.449 0.565 30 20 ICED CC1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)CCN1S(=O)(=O)c1ccc(C#N)nc1 443222708 FGSVMUKJTSWNES-UHFFFAOYSA-N 446.514 0.694 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)ccc1OC(F)(F)F 443325571 XTTSFTIGYDMJEC-CYBMUJFWSA-N 427.383 0.851 30 20 ICED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCNS(=O)(=O)CC 447192361 NSTUAHXZQHVWFJ-CQSZACIVSA-N 428.540 0.480 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)n1 474864271 YBYKYBBGCQUOMN-UHFFFAOYSA-N 445.440 0.540 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 478043188 ULJMZXKRORURKV-UHFFFAOYSA-N 443.548 0.323 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 489028167 PXHQQWCEKUAZRM-CQSZACIVSA-N 427.482 0.910 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 506500333 TUEIOGVEWYFVLU-UHFFFAOYSA-N 427.461 0.233 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1Cc1ccccc1 512178263 GMIAAWXUESQYLK-OAHLLOKOSA-N 425.470 0.615 30 20 ICED CC1(C)CN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 522463146 LEFNYRNTGUPIMQ-UHFFFAOYSA-N 435.550 0.685 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532505327 DFWRQJFTPGWLNK-IEBWSBKVSA-N 433.578 0.852 30 20 ICED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O 541290487 MYVODCONYVFKQJ-UHFFFAOYSA-N 446.872 0.829 30 20 ICED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 567490520 PNUGJVJLDPOZRH-UHFFFAOYSA-N 425.472 0.919 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 567511574 ZSIJJIGXFJPNGP-GOSISDBHSA-N 435.488 0.237 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cn1 587727097 AIJJYUXASVQFCY-RDTXWAMCSA-N 429.502 0.950 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccnc2OCC(F)F)CC1 589172774 OXXRWFAJBVNTPR-UHFFFAOYSA-N 430.415 0.957 30 20 ICED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 589414389 CIUAQKDLFMUIKO-QGZVFWFLSA-N 436.520 0.704 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 606040416 PTBLRUDHNANZKP-UHFFFAOYSA-N 431.474 0.896 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 608868399 PVLSSQSSFUCWIF-UHFFFAOYSA-N 438.487 0.705 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222741 YFFXABUAYRVFQQ-UHFFFAOYSA-N 426.420 0.609 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 611611957 ZAQLZGOSTBDOAH-MSOLQXFVSA-N 426.452 0.879 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c1=O 671654168 MHSCFOVPFKVKHC-UHFFFAOYSA-N 429.546 0.548 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(Cl)nc2)c1=O 727162938 CCVRKNBPYROXRY-UHFFFAOYSA-N 440.916 0.806 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@H]2CCCO2)o1 727506167 BZCNEHPKOCCDNU-LLVKDONJSA-N 435.418 0.142 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2nc(O)[nH]c2c1 729358022 DHAXRCPONPRHLS-NSHDSACASA-N 443.441 0.989 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1OC 732561049 DZDUFCQWDGKTML-UHFFFAOYSA-N 435.509 0.929 30 20 ICED C[C@@H](CC(=O)Nc1ccc(CS(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742508644 TYDCBVZGQANGNF-LBPRGKRZSA-N 436.515 0.931 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 749378456 CUMCKMYOVHWTPF-UHFFFAOYSA-N 445.339 0.785 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1F 752046722 ZEDGISGXTBEUJE-ORAYPTAESA-N 438.481 0.740 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 753666386 XKIYSAWWYZAPJX-ROUUACIJSA-N 442.560 0.804 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 753851492 BDCVPLJZKKJFNT-ZDUSSCGKSA-N 437.430 0.277 30 20 ICED CC(CN1C(=O)CCC1=O)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 754899351 AEHNCPSOBKKECS-UHFFFAOYSA-N 439.450 0.553 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 755535964 IZGVPPMPWUZTEV-SMDDNHRTSA-N 429.433 0.831 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 763457505 CRAGMQOJFAYCCX-UHFFFAOYSA-N 436.493 0.995 30 20 ICED Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 768015169 COZJGSMWDVFBEP-UHFFFAOYSA-N 436.472 0.901 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 775550456 CWNQBKOAHIMQJC-UHFFFAOYSA-N 428.474 0.875 30 20 ICED COc1ccc(CC(=O)NS(=O)(=O)CCCC#N)cc1S(=O)(=O)N1CCOCC1 776121079 DKABXRNACXEETA-UHFFFAOYSA-N 445.519 0.008 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C[C@H]3CCCO3)CC2)cc1 781514458 HVESXKATAKAZQN-MRXNPFEDSA-N 441.531 0.584 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 787775137 APYCAVXMRSVEML-JKSUJKDBSA-N 429.502 0.894 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1)c1cc[nH]n1 789973254 FKAXMJLHGGYVAZ-GFCCVEGCSA-N 437.478 0.561 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)cc1 792414305 YFHGJMFUHTWRLA-HOEZRSETSA-N 434.518 0.933 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 794645500 NDHYFZRRARMLQZ-UHFFFAOYSA-N 441.557 0.755 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)C1 807109242 DJBXTHCSWDXCHX-RBSFLKMASA-N 429.543 0.811 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 812038042 FJBZVCOQXQRHTB-CILBIJLJSA-N 432.477 0.823 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)[C@@H]2C1 815704442 GZTFFZOKNPRRGV-SOZBXCIHSA-N 433.534 0.600 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 915473424 VTIVMFFKHBTFCK-IFXJQAMLSA-N 425.507 0.899 30 20 ICED C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918271673 ZXUCHKUBHWVUHS-IHLBYEDJSA-N 432.506 0.839 30 20 ICED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1286587709 RMTHYXPNYYSTLW-UHFFFAOYSA-N 427.552 0.910 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCOC1 1288864918 ZTFRCZGHZHVENR-UXLLHSPISA-N 437.570 0.491 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1314534754 IGBYKRDWJUEQNV-OAHLLOKOSA-N 429.568 0.745 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1517039452 UAYUUZLMJLFOSQ-AWEZNQCLSA-N 438.460 0.821 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C#N)cc3=O)CC2)cc1 1614713752 WTNCHHKPAXCGNX-UHFFFAOYSA-N 430.486 0.652 30 20 ICED Cc1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 1644009591 QFKCVMGDFNLBMY-UHFFFAOYSA-N 430.486 0.366 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1723957876 VSKXAZQKGZOQJS-PMUMKWKESA-N 426.543 0.558 30 20 ICED COCCN(C)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730729013 UQFXJQJVVLGELO-SFHVURJKSA-N 425.541 0.880 30 20 ICED CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1744349638 ZGUMZOSIFWPCDK-FXAWDEMLSA-N 431.518 0.786 30 20 ICED COc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1748884178 RGXJJDISMRWAIF-CRAIPNDOSA-N 447.517 0.997 30 20 ICED CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768459122 LLOLZEIRYFEOBZ-UHFFFAOYSA-N 431.504 0.945 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552143 DRZRDEJHKYNUOS-XOWGOQOESA-N 430.509 0.581 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1778971569 QPNYDAJWJIDCDM-HTAPYJJXSA-N 431.489 0.885 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1779017209 DZDRDTMWAUNCIE-SGCYSOCQSA-N 442.520 0.955 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1780802946 NZDFEFXQKLOJEV-TVKQPGBESA-N 445.582 0.982 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CSC(=N)N)CCO4)C3)c2c1 1782194881 PHQUFNMDWGIQPK-LJQANCHMSA-N 427.490 0.505 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1785575187 ZQXOGSUZYZEYET-JTSKRJEESA-N 445.520 0.630 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2 1793344554 IRNNRGUZZZOXAH-MFCZKXCZSA-N 449.511 0.812 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1796045480 ZMLQKYNOTOEMMH-MUJYYYPQSA-N 437.504 0.623 30 20 ICED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2)[C@H]1SC(=N)NC1=O 1796874381 RJBASZKALMVVTJ-UXXRCYHCSA-N 434.566 0.709 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccccc1 1797876858 NFJAOGCXSAJYEW-YWQQVWADSA-N 440.544 0.366 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1798550369 MPBJLSFJKDSENF-NXOAAHMSSA-N 441.536 0.515 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nnc(C)s1)C2 1799302934 UXRZNCBVTHBMSM-CCWDJLKJSA-N 436.534 0.878 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1801988414 CHZHWMBJCLQZRI-MUJYYYPQSA-N 447.451 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806634535 XZLVFXUESWTCEA-AOIWGVFYSA-N 426.521 0.648 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807047782 MHDFQPLROLYCLD-NWGLXNPWSA-N 432.525 0.481 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cnnn2)[C@H]1c1cccnc1 1808464000 JNOGOUBAQDSCNC-IEZWGBDMSA-N 441.492 0.845 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810095155 ONROLAQTIVMJRQ-NTDBWNAOSA-N 448.520 0.725 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810390804 URNJJWAVFYYFRS-RDMYJYMGSA-N 440.504 0.392 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3C)sc2C1 1823043091 RKHIXMJPJTXIPG-QJPJPVNKSA-N 431.518 0.534 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1823745388 GMDOEZNGTPJIGT-YHLLGKTKSA-N 445.520 0.063 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1COc3ccccc3O1)CC2 1825661173 IWXWTTNMMBOETR-IAQYHMDHSA-N 427.438 0.983 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1829890472 GEYSFEQQYHEJNO-IGPUNGKJSA-N 432.521 0.497 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)cc1 1829900997 UMKSMGZRKFSBAG-QHCPKHFHSA-N 436.468 0.972 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456532 LGDIJSBLZWSELO-FYYLOGMGSA-N 429.517 0.964 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1C 1830949124 GVVJDPNQIQNTCV-DEOSSOPVSA-N 436.512 0.779 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1)C(F)(F)F 1831205126 HNDISEKDKCGQON-GOSISDBHSA-N 435.443 0.868 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1831388277 WNLRJYWUJXCTCL-LLBVYWAGSA-N 444.484 0.321 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1831405755 JECVHGRUKFGAQI-DENIHFKCSA-N 434.537 0.958 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1831413064 MEJYBEXNVNXMRI-LAUBAEHRSA-N 442.509 0.987 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831434892 IDCWJDWQIQQLGZ-VGSWGCGISA-N 443.504 0.699 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831457299 FZYWJKBFCUUWSC-OPYAIIAOSA-N 442.578 0.892 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831465626 HKXOVFOBJCVNET-HSZRJFAPSA-N 442.516 0.472 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831608852 JJGBHFQACZDIIG-SPLOXXLWSA-N 432.452 0.279 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1832293871 PBBVHDHXOUAXIR-JOCHJYFZSA-N 428.489 0.497 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567559 OWROHBFRFQFHBI-YWZLYKJASA-N 438.456 0.444 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833845527 ABXPMRDBDVYDNP-OPAMFIHVSA-N 438.488 0.826 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1NC(C)=O 1834763646 QDWSMVKPXFGKMY-OAQYLSRUSA-N 430.461 0.637 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1834771522 IWHTYFWMDXPEIB-BREAQWACSA-N 426.469 0.614 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1834919121 VYYAPKUGHFDIFA-VBKZILBWSA-N 445.463 0.625 30 20 ICED O=C(O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102101 KFYQASWZFALQNW-NRFANRHFSA-N 432.498 0.312 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1835102269 KCWHVSZUBKCUAD-DEOSSOPVSA-N 434.496 0.951 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)OC(C)(C)C 1835208429 JICZUOJCDXCEFS-JOCHJYFZSA-N 435.521 0.723 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848654 VHLAJXZTBBVQIN-JTSKRJEESA-N 443.504 0.372 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1837442134 PYKBFUHDRCQAAZ-DGEAWOGYSA-N 444.532 0.994 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445919 BZUHMBLUNOBPDN-GWJNGDFSSA-N 432.525 0.120 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525444 WKQJZWKVWVFSQA-LVZGSSTFSA-N 441.550 0.891 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)[nH]1 1837526146 SQKVAFWNMOPWBN-YRPGDMADSA-N 435.481 0.317 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837527399 MKAYUTSZCCVKKS-XVSPKSMYSA-N 438.506 0.742 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907175 CVRATWJTFQCHBR-OPAMFIHVSA-N 443.504 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1839173125 BDZVSRWOSDBTPQ-GCJKJVERSA-N 438.521 0.911 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839223846 ARWBSZRFSIULLF-LAUBAEHRSA-N 434.493 0.106 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1ccnn1 1839363874 ZIAIUKKKJPVUBG-VGOFRKELSA-N 438.488 0.675 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839809627 CWURFESONCNCGP-HTAPYJJXSA-N 435.521 0.723 30 20 ICED Nc1nc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2s1 1840041784 ICMIWHSFXYTLGT-HXUWFJFHSA-N 444.469 0.037 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 1840043238 MREXUGXPNWDSOZ-IBGZPJMESA-N 440.374 0.863 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840141639 NAHPJKBRCCTFHQ-JKSBSHDWSA-N 431.489 0.502 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840601472 MJDWQCJVGLRNHW-CHFIUFFRSA-N 431.533 0.882 30 20 ICED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1840787637 ISEWJHFOWYXIFN-XMMPIXPASA-N 439.512 0.872 30 20 ICED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)ccc1F 1841894508 IZXWBBDXXZNOET-UHFFFAOYSA-N 448.520 0.174 30 20 ICED CC(C)(C)OC(=O)NCC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCOCC1 1846194687 FVSUCSIARUQIDB-UHFFFAOYSA-N 449.504 0.599 30 20 ICED CCn1c(-n2nc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cc2C)cccc1=O 1846195353 GFOXHIMGMUPKPO-UHFFFAOYSA-N 437.456 0.267 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 104539392 ZCTURGRNMININT-OKILXGFUSA-N 439.490 0.653 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCO1 410422746 ZBJNNQUFJRRNKT-KBPBESRZSA-N 429.296 0.391 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 435750753 CMAKBROGQCQXPH-UHFFFAOYSA-N 430.461 0.813 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)n1 441646125 OZBZOJFJJYIAAW-OAHLLOKOSA-N 434.378 1.454 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CCN(C)C3=O)CC2)cc1 447413198 KSZHQZFKKYBBMP-UHFFFAOYSA-N 448.545 0.903 30 20 ICED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460708163 HRPQPLMFVUDYLB-IAGOWNOFSA-N 438.488 1.164 30 20 ICED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)S1(=O)=O 461355734 SZFZFZLUMGFWHD-HUUCEWRRSA-N 439.559 0.993 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467282774 DAPSQGIUUDHABO-GFCCVEGCSA-N 431.884 0.501 30 20 ICED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475240349 ZYKOJBRACIELIJ-UHFFFAOYSA-N 436.472 0.767 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OCC(F)(F)F)CC1 477264020 LPSNBOTUBGXFSK-UHFFFAOYSA-N 442.438 0.690 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 480798408 ZNWCDLNBOSISJI-INIZCTEOSA-N 447.561 0.238 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 497934009 IQJSEPXCKNQSMY-UHFFFAOYSA-N 448.545 0.381 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 508815293 ZFJGMSSNGIXCTB-LSDHHAIUSA-N 425.559 0.657 30 20 ICED COCCN(CC(=O)NCc1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 514096400 SYXUMUNPWUILCN-UHFFFAOYSA-N 428.493 0.828 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2CC)c1=O 533120361 LZZLCBYTORNLDW-UHFFFAOYSA-N 429.546 0.725 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)cn1 542993740 GFUXWPPUJONFHA-UHFFFAOYSA-N 436.451 0.899 30 20 ICED C=CCn1c(Cc2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)nnc1N1CCOCC1 545640285 KHISSCFXPMFMQY-HXUWFJFHSA-N 442.480 0.495 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(=O)n(-c4cnn(C)c4)c3)n2)nnc1N1CCOCC1 547066967 RZIWAMTVOSZEOW-UHFFFAOYSA-N 449.475 0.826 30 20 ICED C=CCCC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 556181412 QRPPAUIAHJBQDW-KRWDZBQOSA-N 437.566 0.511 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](Cn4cccn4)C3)C2)c(F)c1 558040533 LJDJOTWTUKNPEQ-QZTJIDSGSA-N 440.479 0.906 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 564071490 YDPIBZMPGRSKFW-KRWDZBQOSA-N 437.456 0.929 30 20 ICED CNC(=O)CC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 566031264 DWOSSQAZZKKTSK-SFHVURJKSA-N 425.489 0.150 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C 566564831 XCBVZMDILHIQEP-OAHLLOKOSA-N 443.485 0.836 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN([C@H]2CCC[C@H]2O)CC1 569642459 DWTUYJGNYDKCID-FCHUYYIVSA-N 441.576 0.942 30 20 ICED COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)c1 600879367 WJWROXLHMKUZJW-UHFFFAOYSA-N 435.488 0.354 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 609941679 FTCFBMZMMNZJLR-UHFFFAOYSA-N 429.502 0.735 30 20 ICED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CCN2C1=O 619683844 QHYMKGUQMPBIBS-LBPRGKRZSA-N 439.350 0.890 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162802 WWUOKNIUKUGXPB-UHFFFAOYSA-N 430.578 0.260 30 20 ICED COCCN1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 729069165 DCHMLMAOMSENCF-YJBOKZPZSA-N 443.460 0.447 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144330 JMKDTBICCDSTGZ-KTXKNQKHSA-N 432.594 0.696 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(OCC(N)=O)cc2)CC1 734751224 OFXNIJWYDOMONQ-UHFFFAOYSA-N 432.506 0.328 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cc1 735477773 FMFHKIHKLDNGJM-GOSISDBHSA-N 441.557 0.934 30 20 ICED COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 739905960 ZOYQSRRMAAKONG-KRWDZBQOSA-N 432.458 0.471 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)Cc1ccccc1 757153272 XRCYHIRUWGFNPM-INIZCTEOSA-N 443.533 0.688 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC(F)F)c2)c1=O 758077864 URJDMTGVOQVSLW-CYBMUJFWSA-N 447.463 0.799 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)n1 758539806 QBAIDKVPQSXEMT-QLFBSQMISA-N 431.497 0.974 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N=C1C[C@@H](C)ON1)c(=O)n2Cc1ccccc1 763257582 CWUCNQGWAHLPMK-CQSZACIVSA-N 440.460 0.293 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 763732634 CSKRLHCODHHDHA-INIZCTEOSA-N 441.351 0.640 30 20 ICED CO[C@@]1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCOC1 764451554 LEXKZUYETYTCFW-OSEFQUDUSA-N 438.506 0.360 30 20 ICED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782633847 AMGAMHASJSOIQA-ACIHENLCSA-N 435.506 0.175 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(Br)nn2C)c1=O 782793940 WZKLJURQWKJXGP-UHFFFAOYSA-N 448.346 0.458 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784450207 TVLXRMVRTDRJFM-XLNRJJMWSA-N 435.506 0.827 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 785529806 YHGDTBWCHDAWRU-SFTDATJTSA-N 428.533 0.621 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785656194 JOPBUIHEJVQUJA-ICSRJNTNSA-N 440.500 0.778 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)c1 792414300 YDFFBYWOKNSLFM-RJHYDAJSSA-N 434.518 0.933 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(c2cnccc2C#N)CC1 793675160 UUNVHRHACMYWKV-UHFFFAOYSA-N 442.501 0.891 30 20 ICED NS(=O)(=O)c1ccc(C/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2CCF)cc1 797815536 UINBKEHEKSGQDU-UXPDKRSESA-N 428.511 0.772 30 20 ICED C[C@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 799863478 WRGSIAMRKNDLNW-IAQYHMDHSA-N 449.508 0.860 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccncc1 805810316 GWGUUQOKYAGRCE-ZWKOTPCHSA-N 436.534 0.468 30 20 ICED C#CC[C@@]1(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCCN1C(=O)OC(C)(C)C 808598659 UELPIGACESJUFB-NRFANRHFSA-N 448.476 0.185 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1CCOC 838250156 GDULNBMSAKRTRH-UHFFFAOYSA-N 435.889 0.230 30 20 ICED CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288244031 ROEQKCNJQKBNPE-INIZCTEOSA-N 437.508 0.347 30 20 ICED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1360312454 SCOXLZQACCMGQK-QGZVFWFLSA-N 427.506 0.284 30 20 ICED CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555151069 SJSSAMCJRPEOTA-FXAWDEMLSA-N 431.518 0.982 30 20 ICED Cn1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1563878302 DNMAECUDQHGCFJ-UHFFFAOYSA-N 445.549 0.335 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC(=O)NC 1593885878 OJFTXGJQAXZQPT-ZDUSSCGKSA-N 434.950 0.326 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618941385 PHKXRCARPYAUBL-KFWWJZLASA-N 425.497 0.641 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692856315 WRNJBCHIANPRMW-QRWLVFNGSA-N 428.518 0.953 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1741906689 UIEWQPGLSLUOMW-OAHLLOKOSA-N 448.549 0.938 30 20 ICED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1747411733 UJFQIJODYKQAJX-XJKSGUPXSA-N 432.572 0.453 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1751096743 WZELXGXWLBVYSR-PVAVHDDUSA-N 439.586 0.690 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CCOC2)cc1 1771534884 RYELVCVMSCQCJF-OAQYLSRUSA-N 426.477 0.582 30 20 ICED 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LVVXOZIIXBZWGE-VGSWGCGISA-N 435.521 0.723 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360464 FACSEHGWPOFXSG-JLHGSKIFSA-N 432.521 0.562 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890608 AEDASTADFQNYRZ-CQSZACIVSA-N 449.508 0.211 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842564710 DEDQUDRBFDBVOC-UHFFFAOYSA-N 434.456 0.394 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)c1ccc(O)cc1 1842881554 CTIGDSZVWPSTFT-MJGOQNOKSA-N 426.517 0.685 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283867 ZZOKFURBSMMNOV-UHFFFAOYSA-N 442.472 0.659 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1846888243 KFSGDRRTZYNRQX-HJWRWDBZSA-N 448.479 0.791 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979596 CSXRAPOGPGRQCJ-IBGZPJMESA-N 443.456 0.635 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)[C@@H]1SC(=N)NC1=O 1846980120 WLQWYCIIOCNSHE-GUYCJALGSA-N 441.513 0.943 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1847080896 PJBKVPIBQNADMQ-DOQJBMMISA-N 432.521 0.938 30 20 ICED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090651 YZQCEYFFHTXOMP-CABCVRRESA-N 438.525 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)c1ccc(C)cc1 1847263193 IBMRQUOHRGOZHX-IDPBEMBBSA-N 445.541 0.829 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 26097855 HQFOMAHHOURQNB-SNVBAGLBSA-N 434.522 0.817 30 20 ICED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)CC1 410125890 RGAIZIKJFQLQKQ-UHFFFAOYSA-N 429.587 0.359 30 20 ICED C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435933133 DOBRELKFKDNKCW-BMFZPTHFSA-N 446.909 0.324 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 437384003 IRTZDQCVNSTTQN-CQSZACIVSA-N 438.506 0.663 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 438321474 MNCFTWKRTXZISQ-UHFFFAOYSA-N 446.518 1.340 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 439945643 SGAQAOKADUDRJR-IDAWXYBZSA-N 449.485 0.177 30 20 ICED CCCc1c(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cnn1-c1cccc(C#N)c1 443681365 DMJPULWDSODGHA-UHFFFAOYSA-N 438.488 0.952 30 20 ICED CCOC1CC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(N2CCOCC2)C1 443858290 JPNHCGBSTFKXOJ-UHFFFAOYSA-N 435.546 0.859 30 20 ICED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 445199687 YTGLIFZMWFBJRA-JSGCOSHPSA-N 429.351 0.963 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)COc1ccc(F)cc1 460573021 IQCWHBYOLQLJSQ-INIZCTEOSA-N 438.419 1.081 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C1CCN(C)CC1 460713478 MIROFYZNJPBDJR-INIZCTEOSA-N 436.520 0.704 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 479906599 YIZOURIIKKHYHN-INIZCTEOSA-N 435.550 0.238 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCCC(=O)OC 480951221 IKNVHQSXMCJGAK-UHFFFAOYSA-N 449.554 0.962 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCO[C@H]2C)cc1 485166932 KDMBSIICSKAOGA-WMLDXEAASA-N 425.507 0.430 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cn(CCO)c(=O)nc2O)CC1 498044079 ASBFDXHTHFGUJG-UHFFFAOYSA-N 426.389 0.023 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 503237166 PYRGOIMKHODFGC-UHFFFAOYSA-N 435.483 0.681 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 505666642 XNWCMIHEAGQPEM-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C=CCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508706294 ODZOSWHKDHYZOQ-CALCHBBNSA-N 449.581 0.946 30 20 ICED CN1CCN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)CC1 508837313 LLVIPQMTXLSHKC-UHFFFAOYSA-N 427.530 0.936 30 20 ICED CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CC1 515394631 MWZUOEOVRZMQSP-UHFFFAOYSA-N 438.536 0.689 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541074533 DTVCBWGRGAKUCC-NSHDSACASA-N 434.499 0.720 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)nc1 550641893 DXMGFMDYAAVHPN-UHFFFAOYSA-N 433.516 0.778 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 558544669 MUSFZISHWROGNQ-UHFFFAOYSA-N 434.503 0.258 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 559545165 RVRONRYJMLKZOR-UHFFFAOYSA-N 429.458 0.433 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 559700128 HFABAWZNEJLMPK-UHFFFAOYSA-N 443.426 0.085 30 20 ICED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 559801692 KHKHCJBHLWFZII-HXUWFJFHSA-N 447.495 0.794 30 20 ICED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 568909207 VBTCNOXUICFSJJ-RTBURBONSA-N 425.489 0.150 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 576273046 BNEQRDSVULEYGF-UHFFFAOYSA-N 429.458 0.033 30 20 ICED CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H]1Oc1ccccc1 581694105 CRKOKZGGZUSSET-IPMKNSEASA-N 440.504 0.996 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 583230394 WPOAUBPLNNBHGX-VQIMIIECSA-N 441.532 0.473 30 20 ICED CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 588869154 DJITVZMTGMTGBM-BBRMVZONSA-N 440.460 0.524 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 603450906 PHIYTCUSOKIKND-UHFFFAOYSA-N 428.470 0.948 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 604195530 HOJOMBSBLUDRBD-UHFFFAOYSA-N 429.502 0.840 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 608911551 IYNQOBRHZJHGIC-UHFFFAOYSA-N 447.472 0.568 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 609459038 OGRSSQFHWCLDQX-LJQANCHMSA-N 435.550 0.958 30 20 ICED CCOc1ccnc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 609477604 IIGOQDGZWCPPGH-UHFFFAOYSA-N 444.517 0.716 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1=O 623224100 IPQSFVDEMRFVKG-UHFFFAOYSA-N 437.456 0.358 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c1 679753007 ILMZRICRFGMLTF-UHFFFAOYSA-N 425.510 0.804 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N(C)CCC#N)CC2)cn1C 726200633 MIJGUVJFNXYUMV-CYBMUJFWSA-N 425.511 0.433 30 20 ICED COc1ccc([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCOCC2)cc1 732440062 XCRZMOLABULDOU-MKSIGINJSA-N 443.504 0.894 30 20 ICED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 733855537 QVFTVRQPKUVXFQ-QGZVFWFLSA-N 436.472 0.954 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741448668 CSMOSDBNFULICK-MRXNPFEDSA-N 449.533 0.551 30 20 ICED C[C@@H](CC(=O)NC1CCN(CCC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742655541 SMCIBIOHAPJUTN-HNNXBMFYSA-N 449.577 0.563 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 747583531 YAISNQZZCDNZOK-CQOSDQHZSA-N 427.505 0.695 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 747583533 YAISNQZZCDNZOK-MYLWSRITSA-N 427.505 0.695 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748376186 OIILAUNFXHAUEO-KRWDZBQOSA-N 440.566 0.177 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 749371073 TZMIZLWNDRFKHP-QFIPXVFZSA-N 425.489 0.454 30 20 ICED C[C@@H](OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N(C)CCC#N 754604522 HLJYQPUUXMVHQR-PBHICJAKSA-N 427.461 0.840 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C#N)C1 757578600 PBKOPNLMTJPXTG-TZMCWYRMSA-N 434.474 0.706 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCCO3)c2=O)cc1 758115583 GHSUZPQMNDBZFB-MRXNPFEDSA-N 429.523 0.909 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)n3c(C)cc(O)cc3=O)CC2)o1 764018904 JEYWCEXFJOSVCN-ZDUSSCGKSA-N 429.433 0.483 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 769642735 SRYJABPUAMVKGY-UHFFFAOYSA-N 429.410 0.594 30 20 ICED CCOC(=O)CNC(=O)C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 771865279 VQEBOATZTDKWSF-UHFFFAOYSA-N 441.488 0.671 30 20 ICED COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)on1 772336793 ZDSFEGLLZUISEB-UHFFFAOYSA-N 434.430 0.245 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 781662178 PDWAQTHRQCHFSY-UHFFFAOYSA-N 427.530 0.477 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 782904513 GKWSBNLIPYVYAB-UHFFFAOYSA-N 444.460 0.696 30 20 ICED COC[C@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 785125875 XSJCZLVIWIOYJU-JSGCOSHPSA-N 438.911 0.503 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)n1 788819828 LYMPRCNWTCEVJY-UHFFFAOYSA-N 448.491 0.369 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c1 797430199 SOFPGWLMHLXHHA-UHFFFAOYSA-N 429.454 0.949 30 20 ICED C#CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 799088495 YGQKXNLWHCJKLI-OAHLLOKOSA-N 440.319 0.968 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 808219410 TWOPTJRKJKFIJL-GOSISDBHSA-N 437.504 0.562 30 20 ICED C#CCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 915908901 ZOSUEFDLSDRDMV-UHFFFAOYSA-N 437.478 0.081 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 916833540 QFAYAQHWDXJHIO-UHFFFAOYSA-N 441.444 0.716 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S 920256218 SPCFVJPUIGBUFZ-AWEZNQCLSA-N 435.597 0.001 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1226376254 NLQVXGDSJBMIEK-UHFFFAOYSA-N 427.509 0.302 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)N2CCOCC2)cc1 1302989635 NJNBSJXIFBIDHQ-UHFFFAOYSA-N 437.504 0.767 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C(F)(F)F)c1 1309559093 RSUAYZVBPVKTFG-UHFFFAOYSA-N 449.436 0.995 30 20 ICED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1313801195 PUHWRKWDDKBUGZ-GUYCJALGSA-N 427.506 0.343 30 20 ICED CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1323574305 DZONVQFPFAZAJB-HNNXBMFYSA-N 448.501 0.978 30 20 ICED CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1464423540 UBUUVEZMYVOZHX-HOTGVXAUSA-N 444.554 0.851 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)CCO1 1505321678 VCUIQKQNWXQSHR-INIZCTEOSA-N 441.883 0.882 30 20 ICED CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1509715059 VGYWCARWEUPXML-UHFFFAOYSA-N 433.538 0.717 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)F 1510175112 FATGYDNLJVXSNR-LLVKDONJSA-N 433.485 0.400 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1541993433 RRAUBBYCZOSBAW-MRXNPFEDSA-N 449.581 0.955 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(Cc3nc[nH]n3)CC2)CC1 1619456952 NGNYJVNDBCDLRV-IBGZPJMESA-N 426.500 0.470 30 20 ICED C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1669410242 PWIBPEYCPOQRKC-INIZCTEOSA-N 425.493 0.330 30 20 ICED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1697009252 XLKBKEZFPDBNFD-UHFFFAOYSA-N 436.520 0.735 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1698494725 YMFYMFIQGRJVLZ-RDJZCZTQSA-N 444.517 0.822 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1711284830 VQSWEDVPMJYWPP-CYBMUJFWSA-N 425.559 0.791 30 20 ICED COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711976179 UBLBURWQSCADJP-PMACEKPBSA-N 449.508 0.869 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1724012387 WPQLWWHMVDFZAB-SJKOYZFVSA-N 430.481 0.692 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1730201542 MNPIXFDRZVPRTP-HNNXBMFYSA-N 436.419 0.976 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1731182051 KJARMSNYRXLMJM-PMACEKPBSA-N 449.508 0.891 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1=O 1748063289 XJXXDOXMKUGXEW-UHFFFAOYSA-N 439.520 0.729 30 20 ICED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778349897 GVSJLSLKCXUIGR-WCJKSRRJSA-N 449.504 0.407 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779123978 WZQXILUJDKEYDE-OAQYLSRUSA-N 448.476 0.052 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1779276388 XHQWMSQJTQNJFT-TXTKFYIRSA-N 437.581 0.555 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc[nH]n1)C2 1779428098 GFZCLDPRCRANCT-RSBZRLIOSA-N 433.509 0.995 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781087762 IOERJJQQKSLUOF-NTKDMRAZSA-N 439.560 0.567 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1781112055 NYJZPKXLQAUVML-XFQAVAEZSA-N 436.509 0.348 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c(C#N)c1 1781176224 IJMBZTGZYFPUHU-UZUQRXQVSA-N 440.500 0.465 30 20 ICED COc1ccc(OC)c(CCCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1781325497 JJYFCHZPOIUEEE-QHCPKHFHSA-N 444.484 0.944 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781655569 JAOJFXXHSWMULE-TVKQPGBESA-N 443.566 0.878 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c1 1781967041 OIYMEUNNMVPMBF-FXAWDEMLSA-N 435.477 0.718 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(O)cc1O)C2 1782013809 MLGXUAGBNBGGAH-OXQOHEQNSA-N 436.848 0.967 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21 1783531640 QUAMUHCVRRUYSG-HYGDWFSYSA-N 437.500 0.786 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)cc2C1 1785369568 QCFYVAODTKHGFQ-JOCHJYFZSA-N 426.521 0.856 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1786859928 LWBCETJEOPYAHO-YEWWUXTCSA-N 446.504 0.679 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1788661336 LWYJPUSETGSTSO-SRPZNINNSA-N 445.520 0.918 30 20 ICED CN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)cc2)CC1 1792456986 QFHJBUAIFPIRDS-HATOLVCRSA-N 425.533 0.945 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)ccn1 1798122187 JMMARERTGTVZPA-OYGISIJKSA-N 432.477 0.822 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798566619 SPUVSWYIAANXDF-JLVBRIDZSA-N 429.473 0.589 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2OC)C3)c1 1798573823 RFXPWNQQQKKIJN-ALXJQNPVSA-N 437.456 0.882 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807041704 DFPAUOFPWKNLQL-BBTUJRGHSA-N 431.537 0.663 30 20 ICED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1 1822024991 NISFLWNURGIQBJ-FQEVSTJZSA-N 439.516 0.740 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829617864 IOXQYFKXGDDYNG-JTSKRJEESA-N 445.472 0.632 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1829789044 PMMLMZRCGUETSR-JOCHJYFZSA-N 432.521 0.692 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898906 MPVVXSIZPTYAMY-NZQKXSOJSA-N 429.517 0.964 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n(C)n1 1829901140 WMVQLNOKFAACCE-HSZRJFAPSA-N 437.500 0.913 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1830053600 ZPCWOSFPMMIHFW-AVRDEDQJSA-N 429.473 0.833 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830211689 NGSFNMQGRPEKHJ-JTHBVZDNSA-N 428.485 0.598 30 20 ICED O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830469515 AXOZTOIDDOGJDM-HTAPYJJXSA-N 445.903 0.284 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](S)C(C)C)CCO2)C1 1831497169 ACMCGXYGDOMIOW-FOIQADDNSA-N 430.567 0.987 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1832446807 GXOIVXKTDUTQJB-HOTGVXAUSA-N 426.457 0.675 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832750558 GIIRCSYOIUUEHV-HRAATJIYSA-N 431.514 0.186 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833026988 CGKLOMKCJQYHGV-HXUWFJFHSA-N 434.518 0.484 30 20 ICED Cc1ncsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673247 ZEWSJBGBANVQSX-FQEVSTJZSA-N 435.550 0.803 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1835713585 BFOVOLQFGHFEHP-GOSISDBHSA-N 443.610 0.566 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837241897 WDKCQZSNJXUDRO-WDYOYHNMSA-N 442.582 0.073 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525261 OWVHKJUDERUIBU-NRFANRHFSA-N 444.444 0.903 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1C 1838733270 WUWUKGSAWVNISQ-NRFANRHFSA-N 426.477 0.241 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838907414 ROLUVMHECJTNON-IIMAJNMQSA-N 433.530 0.787 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839224090 DTXITRIPMZKUBA-JXFKEZNVSA-N 426.514 0.016 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839224735 XQIVAJQIHVOHDX-KKSFZXQISA-N 434.493 0.256 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c(O)c1OC 1839376711 NWRBYKCRUNAOLZ-OAQYLSRUSA-N 433.461 0.783 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581337 JVNDTJNWQXNKIA-KSFYIVLOSA-N 430.505 0.017 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1)C(F)(F)F 1839891952 ITKMRIVWBIARNM-KRWDZBQOSA-N 432.399 0.617 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038190 MKVHCGCJVHXUJM-RAJXRTJSSA-N 445.541 0.671 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)c1ccc(O)cc1 1840221750 IVXZRSWNYQKEDR-DRMXPCRNSA-N 443.544 0.940 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840277959 OABAOYDDOFLPAC-XMMPIXPASA-N 440.496 0.886 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840532039 FLXHGKLQJXOVIJ-NZQKXSOJSA-N 427.501 0.984 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1841746379 IABMOAYKTYAQOR-CABCVRRESA-N 437.541 0.252 30 20 ICED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846372051 CSICXOVNHAIFGP-CHWSQXEVSA-N 429.539 0.965 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c1=O 25521612 MZALEINWSXYVEZ-UHFFFAOYSA-N 446.485 0.519 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 28326512 XTSYABFSKAHYAJ-UHFFFAOYSA-N 446.573 0.759 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(Br)cc2N2CCOCC2)CCO1 409486253 NCAVQASKBPKQQU-OAHLLOKOSA-N 445.339 0.844 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)CCO1 410403638 SOGOBNUWIHYSGZ-HBUWYVDXSA-N 431.478 0.349 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 428788656 XACGZMUFCXSORX-YJBOKZPZSA-N 443.529 0.801 30 20 ICED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 438685650 BGDAQTCFRHCRKN-KBPBESRZSA-N 433.490 0.620 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](COC)C2)cc1 443763797 KMNUOSAQHLSYOK-GDBMZVCRSA-N 425.507 0.694 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](COC)O[C@H](C)C2)cc1 443763806 KMNUOSAQHLSYOK-ZBFHGGJFSA-N 425.507 0.694 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cccc(F)c4)C(=O)C3)CC2)o1 462452453 OWEJGUQHJPILPF-UHFFFAOYSA-N 426.452 0.991 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 465413311 DKSWCGLLUKSPKU-ZDUSSCGKSA-N 435.444 0.379 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 468185988 JOGYKKWMHOLUFP-GOSISDBHSA-N 446.467 0.532 30 20 ICED N#Cc1c(NC(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)sc2c1CCCCC2 482067040 HBCSDAWWOFFESH-ZDUSSCGKSA-N 430.490 0.854 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 482450969 MHWJAVVILLHPGM-JSGCOSHPSA-N 437.503 0.420 30 20 ICED Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1-c1cccc(C#N)c1 503014104 ZSJASALXTGSVNS-RBUKOAKNSA-N 429.502 0.280 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)c1C 511453081 GFHFUWMABNESJU-INIZCTEOSA-N 431.474 0.229 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 512943252 MTJJLASJOUCXGU-UHFFFAOYSA-N 442.432 0.785 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)c1 522741065 MXGFMWSVCCOYFR-UHFFFAOYSA-N 448.531 0.919 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C 535639182 FFUPTDMIFZFUSU-HNNXBMFYSA-N 430.490 0.449 30 20 ICED COc1ccc(CC(=O)N2CCSC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 537129919 OKUGQEZLGIANGA-OAHLLOKOSA-N 425.532 0.726 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1 550731293 YTEGSBZDBKTSEL-UHFFFAOYSA-N 427.549 0.972 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 550966835 QHXLHMOEQLJQAS-UHFFFAOYSA-N 426.433 0.918 30 20 ICED N#Cc1ccc(=NS(=O)(=O)c2ccc(S(=O)(=O)N=c3ccc(C#N)c[nH]3)cc2)[nH]c1 555139391 CRJBGWKKHQUJBO-UHFFFAOYSA-N 440.466 0.665 30 20 ICED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1nc(C2CC2)no1 557047906 JWFPGYVCITXAJA-QGZVFWFLSA-N 444.517 0.954 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)n1 566767873 RCMXQPNHNCKXMJ-HNNXBMFYSA-N 437.847 0.944 30 20 ICED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 580629249 LPSVBLYSYZDJTL-UONOGXRCSA-N 440.460 0.486 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n1 589411985 IWJJDOWMAITJNQ-MRXNPFEDSA-N 430.428 0.784 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 603729938 YYJXPRIUQFRITF-MSOLQXFVSA-N 440.543 0.668 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911848 SNAHVMWECGCEJA-UHFFFAOYSA-N 438.431 0.442 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 610562292 NQVADNIMSKLKKA-UHFFFAOYSA-N 445.461 0.161 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 673782865 NYIVUMHSXXYUCB-UHFFFAOYSA-N 440.525 0.976 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 728530736 QIPAMIUJZFEAOT-UHFFFAOYSA-N 425.283 0.008 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)ccc1F 729671596 PPOQHFNZKCAGRO-UHFFFAOYSA-N 449.529 0.184 30 20 ICED CC(C)Cn1nc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2c1=O 732910455 QAWBKMYSNFTODL-INIZCTEOSA-N 430.486 0.632 30 20 ICED C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1 735201615 YXIBBWITEUIUOR-UHFFFAOYSA-N 440.525 0.859 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(-c4ccccn4)n3N)CC2)o1 735620642 XYIPTPVDRPMTER-UHFFFAOYSA-N 425.478 0.663 30 20 ICED CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1F 744131288 VKQMMFDAXIZSBQ-HOCLYGCPSA-N 427.429 0.498 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 745434126 XMRDJKOQNSINNA-GOSISDBHSA-N 429.454 0.804 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(C(C)(C)C)n2)c1=O 758079989 YUMTVBBXUPITSD-UHFFFAOYSA-N 444.582 0.953 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761154411 IPEAAZKJAQDYHS-HNNXBMFYSA-N 449.483 0.352 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)cc1 769642135 SKKNAUDPBSUHRX-LBPRGKRZSA-N 430.442 0.506 30 20 ICED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCC(=O)NCCC#N)C1=O 771413847 XQNLYTHZLHJENU-KRWDZBQOSA-N 437.250 0.789 30 20 ICED CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 772845660 XGJOGGBTMOYQHY-SNVBAGLBSA-N 436.437 0.107 30 20 ICED N#Cc1cccnc1OC1CCC(NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 782954494 RGZMWKWUISKMOL-UHFFFAOYSA-N 437.522 0.604 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CCS(=O)(=O)C1 783479842 GIXQYQNJXAAAOH-INIZCTEOSA-N 427.486 0.937 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cn1 786911936 HKWFLCRIKRFBBT-UHFFFAOYSA-N 447.542 0.905 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 793414901 YPHKUPGWVLCCFL-WOJBJXKFSA-N 449.511 0.472 30 20 ICED CC(C)[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)C 803494565 HRIOLIMYUFBKKO-IBGZPJMESA-N 436.534 0.521 30 20 ICED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 810775313 ARLNSUOJTIFFKV-ZDUSSCGKSA-N 429.476 0.465 30 20 ICED CCc1noc(C[C@]2(O)CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 856703458 ITCJTQPGHGYJEF-HXUWFJFHSA-N 447.517 0.952 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1 894142747 SAZDHBXFEQXVNH-UHFFFAOYSA-N 442.457 0.829 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCC(=O)O)nc2)CC1 916594439 CCLOTFRBUVYQNW-UHFFFAOYSA-N 433.490 0.927 30 20 ICED Cc1cccc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c1C 919132428 SLFRVJSODMPWFV-UHFFFAOYSA-N 433.490 0.805 30 20 ICED CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1296204525 KZVGTFQPMGHCIA-QZTJIDSGSA-N 437.614 0.804 30 20 ICED CNS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1315072846 IHLOPSDRXXZIQF-INIZCTEOSA-N 429.506 0.559 30 20 ICED COC(=O)Cn1nc(C)c(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 1319858358 JIKQNGYVTSPBLW-LBPRGKRZSA-N 447.517 0.806 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2=O)cc1 1448843970 KSZIPHNWTZLKCZ-MOPGFXCFSA-N 431.452 0.916 30 20 ICED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1472562678 PXGNTMPVJUUFLK-MRXNPFEDSA-N 436.556 0.365 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1503290169 GHBBZCVSQYGLQA-JJCDCTGGSA-N 430.534 0.927 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1516232875 UWFQCSOGTGHAPP-LAUBAEHRSA-N 426.477 0.806 30 20 ICED CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1517014740 KJWXCQOYENCAOL-LAUBAEHRSA-N 432.548 0.945 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1517075035 NNQICCKQBQNUJZ-NRFANRHFSA-N 442.545 0.980 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)NCC2CC2)cc1 1521101812 IOMSUYBDZDAOMA-UHFFFAOYSA-N 437.504 0.957 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541219088 POJBAWOEFZCMQS-JKSUJKDBSA-N 444.540 0.930 30 20 ICED CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615888096 MZSCOFNACOALBK-NRFANRHFSA-N 432.548 0.984 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C#N)cc3=O)CC2)c1 1641286202 MHJCNMUJCUHGKT-UHFFFAOYSA-N 446.485 0.270 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1664881718 IWEGCBFQNVXYMF-UHFFFAOYSA-N 443.323 0.680 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1698483896 LLIHLXBELMKCNV-RBUKOAKNSA-N 437.472 1.000 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729225888 CANSRHWVXMFIJD-SFHVURJKSA-N 444.565 0.380 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1731011729 IVIGDECROAPGKB-IGCXYCKISA-N 425.490 0.095 30 20 ICED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1731190003 ZEHDMINFPOACLB-ZDUSSCGKSA-N 448.471 0.989 30 20 ICED C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1760697785 WNUWRFKVWDVEOG-FOIQADDNSA-N 443.533 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120859 DATSXYZKICYXSI-OPAMFIHVSA-N 435.521 0.722 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060983 LJBARRHKIVTLIE-QHCPKHFHSA-N 433.549 0.821 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779322626 IBFZLXLGXQXPII-XRWLCIBQSA-N 447.536 0.920 30 20 ICED Cn1ccc2c(O)ncc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c21 1779999980 DZMSLKHUZCKTPH-OPAMFIHVSA-N 440.456 0.494 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780701361 DWGZDIHJGDHLLI-HTAPYJJXSA-N 444.488 0.845 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311839 PBKKIMNOYMQPRP-FGZHOGPDSA-N 435.521 0.914 30 20 ICED CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1781363594 ZHDJVUWOJJRHHZ-QVKFZJNVSA-N 437.493 0.598 30 20 ICED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781486065 KABKPLDNUPZKHI-CJFCWMOSSA-N 444.536 0.229 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1782013821 OIVWUQNJBPZZIS-OXQOHEQNSA-N 431.401 0.516 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C[C@@H]21 1783531101 CNQTXIKJOGRTAC-QHWWWDCYSA-N 441.532 0.599 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1783910996 PWQZXBVAIZNQDR-JOCHJYFZSA-N 440.537 0.316 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C2)C1 1784246157 YMUCPRAKCDVAMG-SIKLNZKXSA-N 445.541 0.611 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788137494 UPWPXWYJVNZBGF-ULQDDVLXSA-N 437.493 0.318 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1788603315 UVSSDQMWRPWUMI-QEPNCWKMSA-N 443.504 0.875 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4cccn4)nc3)[C@H]2C1 1788981985 KIFKFQDBWIRTHA-GTAWCEEGSA-N 437.500 0.899 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789179699 OFKAYQANZIJEIM-XIRDDKMYSA-N 438.488 0.618 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)NCC(C)C)C[C@@H]32)c1 1789257480 IFLZYJYBXBXPRA-VDGAXYAQSA-N 442.516 0.932 30 20 ICED CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nn1 1789395825 JRBOQOAKXFVLAK-BQFCYCMXSA-N 444.536 0.750 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1789890658 ZTEPFMCWSVPJRU-ZTTFOMCMSA-N 430.505 0.571 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1790829539 LIQCRSOILQWBDF-WNHJNPCNSA-N 441.594 0.850 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)CN1 1790856363 KRGUQORUULMELP-NBMJBFSESA-N 429.904 0.807 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1792258464 FWRJLCVVGQIGKR-QZHFEQFPSA-N 447.532 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1OC)C2 1792490057 IFAMRBOAHBSYDQ-ROAZTASUSA-N 427.501 0.686 30 20 ICED 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 1795437866 GPHISVHTAMIKFT-SFNKJDCFSA-N 436.553 0.444 30 20 ICED 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)NC(=O)c1ccccc1)C2 1797712418 HGQXCJPYHFBCPN-UVBQOVKKSA-N 443.544 0.968 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818585 SXLZJDYMOGCGCK-JKBNCDAYSA-N 446.504 0.968 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818601 VGMPXJWKNHRVLD-IJAUKGFQSA-N 433.509 0.871 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2 1798268963 MEARQHUTZKAXBF-AXVVYFOYSA-N 444.488 0.812 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccccc2C(=O)OCCO)CCC1 1798567610 IBPUDKQNGHFAJP-HGKCTWBKSA-N 441.484 0.733 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778555 HKRJSBCYLRUSFE-VMKZXYDASA-N 447.488 0.062 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)(F)F)cc1)C2 1800778685 METRLNQVWOLLAR-FVCICTRLSA-N 426.347 0.876 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(O)c1)C2 1800779675 SGTSUAQULGOPIP-DPIQGUFMSA-N 437.246 0.446 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1801764466 CXUHBZZLMLGKAT-VMRMDKAQSA-N 439.472 0.115 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1803560601 MTQUWIPFVLQHCZ-XLIONFOSSA-N 446.504 0.613 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1812878489 JATIRXGNLKYZCT-JTAQYXEDSA-N 432.480 0.890 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1819241244 CGPBPPHSFLNNFZ-KFBZEMIESA-N 449.512 0.938 30 20 ICED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2(C#N)CC2)CC3)c(=O)nc1O 1827990647 UXVFIDOFGICPCG-NSHDSACASA-N 428.474 0.630 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)C1 1829669113 PHCCGMQBLQOECW-OIUIXCLQSA-N 443.500 0.875 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4)CCO3)C2)c1 1829876620 DQTINKUXWZAFMO-JOCHJYFZSA-N 430.480 0.863 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243641 UBWDZWJFIBJSLY-GAJHUEQPSA-N 448.516 0.991 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830345420 FTIIPCDUKQILFJ-CVDCTZTESA-N 448.516 0.801 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1830644662 RLQKVVBRILTSSB-OAQYLSRUSA-N 438.594 0.695 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831407201 SGSQEKZUGNGKBY-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831421727 PXANVZLRFZGCIT-MGPUTAFESA-N 438.456 0.444 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(C(F)(F)F)CC1)CCO2 1832150812 FDPIRIUOAPZGMC-ZOJXTTQQSA-N 446.422 0.900 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832760338 RDMBRRCXALJAKY-QFIPXVFZSA-N 442.472 0.745 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833121995 UBZZTHCPELZSAU-KRWDZBQOSA-N 448.564 0.594 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833291218 DHMJTRPZOBRJGR-QFIPXVFZSA-N 436.472 0.912 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)c1 1833531938 JALIIIXSNBVQJZ-HXUWFJFHSA-N 443.485 0.802 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C)CCO2 1834039754 OMHWTEBNPIUFPD-QFIPXVFZSA-N 431.489 0.969 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)cc1 1835411672 KURVXSAJZVJEQU-HSZRJFAPSA-N 440.500 0.445 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835677964 RTNHPYPIVPZHAQ-QFIPXVFZSA-N 446.552 0.334 30 20 ICED O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1835778657 SWZFKTFEXZPTIW-SYXCRGJESA-N 443.548 0.796 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc(Br)nn3c1)CCO2 1836255909 YYIHPDPXQJVMLX-SFHVURJKSA-N 448.277 0.195 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836783962 FZRULLODLQZKFA-MWTRTKDXSA-N 443.500 0.842 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1837400757 OAZULRYGPROSPL-PGRDOPGGSA-N 435.521 0.804 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1837402091 CSDNWOPOIPAKRS-VGOFRKELSA-N 442.553 0.805 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837444146 PVLBGGBUOHRLSQ-UKKLRFBMSA-N 432.525 0.189 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486650 LOKSMSPSGCAAPY-CVDCTZTESA-N 433.549 0.236 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492847 WXEGNVYMUXOTMR-WMZHIEFXSA-N 449.548 0.942 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967455 KOMCJJSJIXHTAC-HYARGMPZSA-N 432.529 0.143 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C(C)C)C3)C2)c1 1838583503 HFIJLMNOCWQBDB-QHCPKHFHSA-N 444.532 0.977 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907411 ROHWMHWVIIMMTH-VGOFRKELSA-N 438.488 0.556 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419536 GXOKMMZQIVCINR-ZHRRBRCNSA-N 429.448 0.806 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810523 BBOQRAPJNXKKNL-URZJWIJPSA-N 433.505 0.333 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044894 FTXKDHPPUMUJMO-AOMKIAJQSA-N 425.441 0.472 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1841427086 FSFUTVKWWODABE-SJORKVTESA-N 435.521 0.864 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n(C)n2)C1 1842193188 DVPUOSHWXFRUDR-AWEZNQCLSA-N 431.493 0.859 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1844235758 WJJIDCPUKJVWSH-BBRMVZONSA-N 430.505 0.769 30 20 ICED N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 431185980 CPWMAVCXUSSOFH-UHFFFAOYSA-N 441.535 0.044 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 433648017 HFELHRYKXNPZEG-UHFFFAOYSA-N 439.494 0.975 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 437155947 RDKPLUVESKPGBD-UHFFFAOYSA-N 428.367 0.755 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H]([C@@H]3CCOC3)C2)CC1 441667067 PXVPQGKNDKNFGG-RBUKOAKNSA-N 432.546 0.750 30 20 ICED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 444404305 LVWNVJGWKNNWEU-GOSISDBHSA-N 434.497 0.682 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCCNC(=O)c2cccc(Br)c2)n1 444512895 WSPWTKKKDNWGAW-UHFFFAOYSA-N 447.293 1.434 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccn1 460720319 SVNGWNYJNKGWCL-UHFFFAOYSA-N 434.460 0.729 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 464855059 IMENFJSBAWAZCZ-JKSUJKDBSA-N 439.495 0.991 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465466800 ORGJHYXDQLJRHO-CQSZACIVSA-N 442.501 0.566 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2nn(CC)c3ccccc23)c1=O 471965626 SGVUPBJEZKFBEX-UHFFFAOYSA-N 449.536 0.827 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 482427194 WJAFSJRMYGKLBZ-BBRMVZONSA-N 430.490 0.189 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 482808855 LCRZCBKWNMPFDH-NOLJZWGESA-N 428.536 0.059 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483091791 HJOJIAAVTBTMTK-AWEZNQCLSA-N 427.548 0.850 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 488603569 SPGBJZIMDXPZSM-SFHVURJKSA-N 445.435 0.640 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 503659332 PVAMBTPUHCXPOO-UHFFFAOYSA-N 439.501 0.467 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508540962 JCJPLZMKZQPQQF-QGZVFWFLSA-N 439.520 0.635 30 20 ICED C=CCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508841386 QOCNRGSYPNMSGF-UHFFFAOYSA-N 445.505 0.672 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 515913374 BOZHMTWRGGBLJI-UHFFFAOYSA-N 425.493 0.426 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)s2)c1=O 523089582 PNZMQKAMBYMGAI-ZDUSSCGKSA-N 435.571 0.970 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1F 527030387 YHUULGQIOXCIIZ-CYBMUJFWSA-N 445.472 0.042 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1Cc1ccon1 531938595 KXOQXBGDYRDGBF-UHFFFAOYSA-N 444.856 0.577 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542072078 CYZDMRIEWQGPQN-ZDUSSCGKSA-N 434.453 0.219 30 20 ICED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 543930886 RMPGECSKECQRSH-UHFFFAOYSA-N 431.836 0.862 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(NC(C)=O)CC2)cc1 549364474 HICQBFNLWXOJGN-UHFFFAOYSA-N 436.534 0.995 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 550537213 UBLWMLVGBFAWEX-UHFFFAOYSA-N 439.520 0.403 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)c2c1 553454296 ZEVQPZVZNQUEGJ-IAGOWNOFSA-N 432.502 0.404 30 20 ICED N#Cc1ncn(CCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)n1 557115311 CDVSXWFAEYTBDA-UHFFFAOYSA-N 427.284 0.397 30 20 ICED CNS(=O)(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 559326388 JSXGWLOVDOSDBM-UHFFFAOYSA-N 425.555 0.965 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 559986729 NENQMQCNVNMNCZ-CRAIPNDOSA-N 435.440 0.473 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3nc(N)c4ccccc4n3)CC2)nc1 566584578 ILXXACPBVTYETR-UHFFFAOYSA-N 437.529 1.070 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C2 567374059 ICFXUQDTWIOBRM-UHFFFAOYSA-N 430.490 0.767 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 571844787 JOIKONCNDWIFHE-UHFFFAOYSA-N 441.513 0.280 30 20 ICED CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 582628789 WZCBCOSDNAFAOK-LJQANCHMSA-N 428.537 0.122 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)c1C#N 588781162 JMWIOXOIMJPLRX-KRWDZBQOSA-N 441.536 0.156 30 20 ICED C[C@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cccn1 603937731 WDAYGJFQCWTSBA-MRXNPFEDSA-N 444.517 0.307 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 604980931 YLXRJYVLCYPOQS-UHFFFAOYSA-N 433.490 0.459 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 605251914 BYXWJONTOKOCKT-IBGZPJMESA-N 428.489 0.803 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 608911630 CQUDPQUJFGJGPL-UHFFFAOYSA-N 428.562 0.036 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCc1cccnc1 609038578 SFCHMOWVPRLEBN-UHFFFAOYSA-N 440.550 0.875 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 610805195 KTCFILYMNSCPFH-CYBMUJFWSA-N 436.515 0.330 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)c1C 619835239 ILXPKKHFZYRQSK-UHFFFAOYSA-N 430.490 0.496 30 20 ICED COC(=O)CCNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732417526 VXVRNAMJZGPXSH-HTXNQAPBSA-N 429.433 0.627 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1 737268792 SRTXSGUKFSHVBR-JWGURIENSA-N 438.506 0.096 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 737308082 WUQHOCZRYCQCKW-VHEBQXMUSA-N 425.445 0.785 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 749156606 DFXKACQDQLQXDV-UHFFFAOYSA-N 435.527 0.860 30 20 ICED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cccc21 755190737 FHAHOCACKJOMKF-UHFFFAOYSA-N 428.474 0.442 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 755543972 DACGTNSEAHPFHF-TZMCWYRMSA-N 442.476 0.691 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 756325978 SDHMZIUOOULUQS-MJBXVCDLSA-N 425.507 0.838 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 758090986 SYONHNGULRBGIP-UHFFFAOYSA-N 427.555 0.399 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 758645861 UDPYRBUHBHYGLO-GXTWGEPZSA-N 435.506 0.914 30 20 ICED COc1cccc([C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1OC 763042764 OADSXEKZZRSUGS-LRDDRELGSA-N 446.485 0.851 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765842260 UQAHTVQKYUYRNZ-UNEBPCJRSA-N 426.473 0.489 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCS1(=O)=O 766360909 GTFNNGSEBKKAPD-ZFWWWQNUSA-N 427.548 0.833 30 20 ICED Cc1cc(-c2nnc(SCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)n2N)n[nH]1 768436682 HQHVMWASSJLQAP-UHFFFAOYSA-N 428.482 0.299 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCS(C)(=O)=O)c2=O)nc1 781662694 DUNUIHKNNAXGSU-UHFFFAOYSA-N 445.566 0.920 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(F)nc2)CC1 785627053 GEMQZHWNVCXQQR-UHFFFAOYSA-N 432.433 0.782 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cn1C 787678876 WKBSSMIDFSXCPC-ZDUSSCGKSA-N 437.522 0.623 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C(=O)N(C)C)CC2)c1C#N 788340025 RLWGHLIUOZWEGY-UHFFFAOYSA-N 441.467 0.728 30 20 ICED C=CCN1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1=O 798571748 CRDFCNNTXJFWRK-GOSISDBHSA-N 435.502 0.483 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 807303823 UJWIEGCVRLVIOF-CYBMUJFWSA-N 439.387 0.715 30 20 ICED CN(C)c1c(C=NNc2ccccc2S(=O)(=O)NC(C)(C)C)c(=O)n(C)c(=O)n1C 807965390 UVEZATRRKWHIJT-UHFFFAOYSA-N 436.538 0.673 30 20 ICED COCCN1C(=O)/C(=C(\Nc2sccc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 814344025 LVTXUILORWXMEQ-QLWWJYNRSA-N 426.451 0.687 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 886570214 DORAFAHIZUJYJL-MJVIPROJSA-N 447.897 0.311 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 916423107 CTGBMHJGSFLUBX-OAHLLOKOSA-N 445.453 0.336 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 918238618 JDTCGBYSXXDQLD-HAVVHWLPSA-N 432.506 0.841 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920304518 OERQIOLXXLJDDL-UHFFFAOYSA-N 449.577 0.566 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCC(=O)N(C)C 1288818072 RIRUYDITGIZKHH-CQSZACIVSA-N 425.559 0.887 30 20 ICED CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1296222382 REAHWEOKDUUWNL-CQSZACIVSA-N 436.476 0.540 30 20 ICED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1297982931 WCXSDSINTXWOSM-UHFFFAOYSA-N 431.522 0.377 30 20 ICED CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315049720 JTFJHDALKKNTPM-UHFFFAOYSA-N 431.504 0.993 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1360714763 RPBIHMHTLXXXNB-GJZGRUSLSA-N 439.542 0.020 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1471538520 OYDQTXHWOFGEQN-HKUYNNGSSA-N 449.577 0.138 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1547900662 KMDWUCCZVXDMEQ-MOPGFXCFSA-N 440.570 0.952 30 20 ICED CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)OC 1614407678 MLIASLMGMJJGEF-OWCLPIDISA-N 442.542 0.155 30 20 ICED C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1620178683 LDSDLXKFCXYXET-MHTXLSKPSA-N 449.558 0.988 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)CC2)CC1 1778321942 SXRDLXUSCKGVBI-HSZRJFAPSA-N 445.564 0.453 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465494 CZUKNJWKSMQVDT-QHCPKHFHSA-N 437.500 0.871 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccnc2C(N)=O)C3)c1 1780179323 YRYCHQOQEZGURD-VGOFRKELSA-N 436.472 0.822 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1781015112 HFRHOVYGQGQANY-GSHUGGBRSA-N 435.521 0.864 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1782993942 OVNKLUSNLCRWHA-HXOBKFHXSA-N 426.469 0.718 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1783046184 KCWNMYINDNFRAD-KKSFZXQISA-N 433.505 0.618 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915316 AEPOTGUUULVABV-ZEWNOJEFSA-N 426.517 0.995 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1784503632 AEHVOXZLWHRELY-BVBHFADKSA-N 427.505 0.843 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1785014812 RVIHSAHXHYEZNX-YGJAXBLXSA-N 440.591 0.688 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)n1cnnn1 1785382044 NYGLGDXAAFTDPQ-QRWLVFNGSA-N 425.449 0.015 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)cc1 1789571982 IRYJXFFLFPYAII-ACRUOGEOSA-N 447.495 0.977 30 20 ICED C#CC(=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 1790789272 YLJMSMHFHJDNRN-ADHGMGHFSA-N 435.521 0.217 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(=O)OC)c1ccccc1 1792800407 HOUYCESKXRYSRG-MVBLQPKNSA-N 443.500 0.712 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c1Cl 1796347287 SYMGGRBLDCFXJQ-DRXBFXEBSA-N 443.847 0.930 30 20 ICED CCNC(=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 1797699908 HREUGVDIWCEPIT-UEILYKACSA-N 443.504 0.478 30 20 ICED Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797808637 MEEHSQPJUKVKEX-HNNVEQLNSA-N 434.493 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798428244 MCLVIUHLKTZUKI-AFIMGQEJSA-N 426.473 0.520 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1799390498 WFNNRTMNODANDE-VYCZESIESA-N 431.493 0.202 30 20 ICED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C3)c(C#N)c1 1800035260 HEYBGZVUDYZXCB-BJWYYQGGSA-N 442.472 0.291 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CCOC1 1800142945 AHPZMNFZYYUOLP-FQEHYLHMSA-N 435.477 0.396 30 20 ICED C#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 1802128274 PVBYCJUERNUVLN-RBZJEDDUSA-N 425.551 0.811 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1802685125 LKOMFEVPFUZWTQ-YOEHRIQHSA-N 434.460 0.682 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807143869 PHVSZEAYOBEHGJ-HKUYNNGSSA-N 449.577 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1808746678 PAWUPIYSXYTCAO-VMSBZHFZSA-N 439.516 0.567 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810287617 CKCIMMPKCOQWRZ-OOLOCFEUSA-N 426.521 0.695 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)c1 1812343600 DTYIXCDWYRQSGV-DYESRHJHSA-N 431.456 0.858 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812349428 LLTLRWAJMYBHEQ-KUDFPVQQSA-N 439.472 0.700 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818799960 NRJYVMFORDYKHJ-PBHICJAKSA-N 435.594 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)ccn3)C2)C1 1829765411 VYIGULVSFMZWTD-IYZQMXKPSA-N 442.516 0.572 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)cc1 1829896714 WJHBEXJWVMLIMF-JTHBVZDNSA-N 439.468 0.884 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1830459103 QSBCNOAWJSLDJA-QFIPXVFZSA-N 438.488 0.239 30 20 ICED O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1=O 1831216553 RNGSYWKTCKJDME-HSZRJFAPSA-N 437.452 0.305 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1831281237 PGTIPXMZAQLLRY-AOMKIAJQSA-N 428.489 0.520 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831449360 KOMZIIUKEXLUMH-IBGZPJMESA-N 425.507 0.043 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1833333942 OWICFWVPAHOHOI-JOCHJYFZSA-N 426.473 0.523 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1834085430 XDRGMCCFUYEVOI-HSZRJFAPSA-N 442.516 0.554 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)SCC(=O)N4)C2)C1 1834758012 FSOGQTBYAREMBP-FQEVSTJZSA-N 430.486 0.714 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835056126 XTMZFVHIZUDZJT-SFHVURJKSA-N 449.600 0.287 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099855 VIYIARMHEIILRB-QHCPKHFHSA-N 439.468 0.943 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835338419 HLFNWXVWPKOUHN-HOIFWPIMSA-N 433.505 0.726 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CC1 1835345620 RFFMXBZOBXVKJY-HXUWFJFHSA-N 443.485 0.130 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835398685 QAGXJQFQEYYCJY-HSZRJFAPSA-N 442.516 0.269 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836688673 AYXSRVYHQFDFGI-QFIPXVFZSA-N 441.484 0.535 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)CCO2 1836762561 SDCXBZAITGLLIJ-HOIFWPIMSA-N 435.521 0.579 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836828527 OCNAXHSWBXCEBG-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837396284 ARIBNMDWPXGIQE-AVRDEDQJSA-N 443.504 0.372 30 20 ICED Cc1nscc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441278 ZBQSLOACYUZJDJ-YUSOBQLHSA-N 435.550 0.993 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837527591 QPUZBINNZVIHFS-GWYVQQBTSA-N 448.520 0.933 30 20 ICED O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567368 HGMAOQFOYXFTBH-YGPNGPECSA-N 441.488 0.578 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838723442 FBPYIDFKLSSTGM-QFIPXVFZSA-N 429.473 0.742 30 20 ICED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)COC1 1839777419 PJMDQZOOWHUWFL-CMQXEDBBSA-N 439.509 0.398 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839888201 WVXUBCGCTHAODN-LJQANCHMSA-N 425.432 0.667 30 20 ICED Cc1ccc(C)c(OCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041168 WAGOEYAFCGOMJQ-QFIPXVFZSA-N 430.457 0.227 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840621751 VYZRQFZBASFXIK-CTJWEORCSA-N 427.473 0.864 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840716658 PKICBAURAKQLJW-KSFYIVLOSA-N 425.441 0.472 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2ccnn2)C1 1845816849 RGMMKZRXQVVNKF-HZPDHXFCSA-N 430.509 0.959 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 27056090 ISMDDAZVIHDQRP-UHFFFAOYSA-N 442.563 0.499 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 430391668 GVVTZQOJJRJATD-FXAWDEMLSA-N 444.536 0.059 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441937622 ANGFCLYHCHRBFN-QZTJIDSGSA-N 439.537 0.745 30 20 ICED COCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 446554494 IIHHUFYSMFHKIR-LBPRGKRZSA-N 431.417 0.760 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 460587807 REVDXDVKXWEMTN-HNNXBMFYSA-N 431.456 1.207 30 20 ICED CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 465483919 QBSGERPCCIWPJJ-CYBMUJFWSA-N 434.547 0.988 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(-c2ncccn2)n1 467573025 SWLFJXSSIHTHAV-CQSZACIVSA-N 432.448 0.308 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O 474951039 YBISKQJDGDJSKX-ZDUSSCGKSA-N 443.378 0.880 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 480382039 UNCLGYOLJIMDJF-UHFFFAOYSA-N 442.563 0.499 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 482406978 OGMZMUYVJIDUAN-BBRMVZONSA-N 430.490 0.270 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 488375549 UCNNMXPYCZEXMJ-UHFFFAOYSA-N 445.541 0.911 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 508815290 ZFJGMSSNGIXCTB-CABCVRRESA-N 425.559 0.657 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN1Cc1ccccc1 511754706 PXSPPCBTACLYOX-GBESFXJTSA-N 430.530 0.259 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516358039 WEYVWAWOYXGUMA-GOEBONIOSA-N 428.536 0.061 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 522611079 DBJJBEXPMCMMRV-UHFFFAOYSA-N 436.432 0.858 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)n1 532419164 HWDVWQXEXKEJQK-UHFFFAOYSA-N 428.514 0.697 30 20 ICED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533036652 KHANKERPQOOKGX-ZDUSSCGKSA-N 431.474 0.584 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCOC)C(N)=O)nnc12 539526197 IJBYAXXIYXPSCQ-ZDUSSCGKSA-N 430.490 0.329 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1=O 550904648 ANRHDMYYTNSGQK-BQFCYCMXSA-N 429.521 0.557 30 20 ICED CN(CC(=O)NCCn1cnc(C#N)n1)S(=O)(=O)c1ccc(Br)cc1 552673075 QCICUFDKISXPCJ-UHFFFAOYSA-N 427.284 0.349 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1=O 553833589 MAPLFMAYDAMTHU-SFHVURJKSA-N 431.537 0.865 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 553840627 XUVQOXIQPFPMGL-BJOHPYRUSA-N 427.280 0.977 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)nc1 554715188 LTFZYYFPVPRFGU-RBUKOAKNSA-N 426.521 0.096 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 570789850 ALQALAUGQNCASC-MRXNPFEDSA-N 429.510 0.625 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 580861841 SAAUBBIQIHMHCG-AWEZNQCLSA-N 443.533 0.896 30 20 ICED N#Cc1ccncc1N1CCN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 584149353 FSBFRSSESPATBB-KRWDZBQOSA-N 440.485 0.055 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038572 QYPFVPRDLUDCKO-UHFFFAOYSA-N 436.541 0.700 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 617023122 IZXJLUXNYFYZKV-RTWAWAEBSA-N 440.548 0.365 30 20 ICED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 727010235 RTBALPKVCQGFRQ-FXAWDEMLSA-N 435.502 0.549 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)Nc2ccccc21 729381816 AKSNEISBNHKNLK-CYBMUJFWSA-N 442.453 0.754 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)F)cc2)c1=O 729673453 QBTZVTSMVBPNSU-UHFFFAOYSA-N 425.438 0.582 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 733150609 PZEAUJQKGGRYLI-FQEVSTJZSA-N 428.533 0.936 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1 742563563 JGPMGMOAYZJJEI-OQKWZONESA-N 433.494 0.609 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)n1 748559207 IBUKRBHXZOSUJQ-UHFFFAOYSA-N 440.536 0.283 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 756313379 JSAYUHHCERTUKH-UHFFFAOYSA-N 436.486 0.305 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CCOC 767880790 QOKBKKYGHYMFKV-UHFFFAOYSA-N 441.431 0.239 30 20 ICED CCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(Cl)c1OC 771891173 JYRIHZBFOQJQQS-UHFFFAOYSA-N 430.870 0.457 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O)c1cc[nH]n1 772486900 INIXXQMZIRKOIC-ZDUSSCGKSA-N 426.433 0.608 30 20 ICED C[C@@H]1CC(=NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)NO1 773539668 YCVWRSSNWJPZRK-BXKDBHETSA-N 436.412 0.856 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 776061363 HMBBISISNRKQEE-UHFFFAOYSA-N 443.485 0.844 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 779622935 JMGOECPNGVKCQE-NXDJFEHLSA-N 432.502 0.737 30 20 ICED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 792444399 ARXAMKIDBCMCQG-OAHLLOKOSA-N 437.518 0.963 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Br)c(=O)n1CCOC 794581762 LFFAAFYHXIINCE-UHFFFAOYSA-N 440.294 0.707 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 797378484 YUIITARALLWALP-QLAYUEPXSA-N 434.518 0.979 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 800631764 YELAACINJRUJJL-HIFRSBDPSA-N 427.548 0.929 30 20 ICED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 800781043 UCXOXMDXASIOHV-UHFFFAOYSA-N 443.899 0.646 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807941182 MLHWJLFBMIHLOV-TZMCWYRMSA-N 440.547 0.983 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)[C@H]1CCCO1 809304754 PVUMDXQCDHJMEA-AZUAARDMSA-N 426.517 0.683 30 20 ICED CC(C)OCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 813059043 SPBUWGGJIMCEAZ-LTGZKZEYSA-N 426.495 0.911 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(C)C 814249047 FROLINFQCPFARX-UHFFFAOYSA-N 439.488 0.293 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 839358865 WZGCPBATCOLWCH-UHFFFAOYSA-N 441.488 0.346 30 20 ICED NS(=O)(=O)Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 912999914 LWNQFSBBXWCZSK-UHFFFAOYSA-N 436.515 0.933 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOC 916198131 CWPCVYRFJPUJGF-UHFFFAOYSA-N 446.485 0.120 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCNc2ncccc2C#N)cc1 917154080 CICMBHAYFTUPIG-UHFFFAOYSA-N 430.490 0.760 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cncn2)cc1 918256232 UZIITGDJRBNMOZ-XQNSMLJCSA-N 433.494 0.236 30 20 ICED CCS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 920596354 NTBBJSHGCWBYBR-UHFFFAOYSA-N 436.446 0.433 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CCn4cncn4)CC3)C2=O)cc1 1116209157 NPAMFFZTZZLRRI-SFHVURJKSA-N 436.476 0.199 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@H]1CCOC1 1327046340 KZIGQZWDDSLMFO-CQSZACIVSA-N 443.500 0.899 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1360680780 IKLKNXLVXPCZCG-AFAVFJNCSA-N 426.474 0.831 30 20 ICED C[C@H]1CN(Cc2cccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)c2)CCO1 1477573450 QTOCFSMIOIBFAJ-HNNXBMFYSA-N 426.477 0.541 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1544555310 UNHLBSJFMFSNRI-JLTOFOAXSA-N 444.517 0.033 30 20 ICED COc1cc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(F)cc1C#N 1663620619 VSAHMTMSJMEPCI-UHFFFAOYSA-N 433.487 0.828 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1=O 1712487823 YRACRRPKKINEAS-UHFFFAOYSA-N 437.504 0.638 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1741944101 KLNJUIRPEYQYCN-TZMCWYRMSA-N 434.478 0.394 30 20 ICED CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)o1 1765614866 SKWDPIFWZOWTSG-KBPBESRZSA-N 437.526 0.914 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1766682556 QBUOSQYXPAKGAT-KRWDZBQOSA-N 443.533 0.807 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1769244348 SSVDJGIOFFHVCG-DOTOQJQBSA-N 444.517 0.203 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1770749091 UKGLXXWLVXOLOF-DZGCQCFKSA-N 438.414 0.727 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)CCC1=O 1779358969 NDIDLPCDZIQEKX-IWGJDDPLSA-N 446.552 0.580 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1780176989 PNIUSPBLSFZPNV-CKNGIIGNSA-N 441.484 0.888 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780243312 KJZIEYRKCDXHOC-OAQYLSRUSA-N 426.860 0.919 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1780349773 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CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)CC1 1790718702 PXGNPKPJOYYZRE-ULQDDVLXSA-N 434.537 0.591 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3cccn3C)[C@H]2C1 1791689659 KKPSQEXLKSQJHT-LZPLBESISA-N 428.489 0.046 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)c1 1792466399 QKOSJWVRJCLPQG-RMFSNUHRSA-N 444.557 0.819 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1792484740 MEDGBEMPOXGUSH-HJZKZARXSA-N 437.500 0.325 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OCC)c1O)C2 1792490599 IMVSDFUDIWBQRE-AUEAJIQESA-N 443.500 0.853 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1792923040 OHDYENGTFRSBGW-BOLBYERCSA-N 441.532 0.953 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261365 GWSBITVKOKQLBV-ZMMAXQRCSA-N 435.521 0.265 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793343527 YTRIXTJWJIDACM-OPOADAIRSA-N 438.484 0.407 30 20 ICED COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1793893466 XLCYYEBABMVFDK-RMFSNUHRSA-N 443.548 0.894 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)c1 1796185540 NZJGEYOWOOTGBU-MUJYYYPQSA-N 447.455 0.863 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1798396623 PXXLFIRZPXBZCS-RPUYLAQPSA-N 429.521 0.806 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799153706 WOFOQHUUTYPNMX-ZBHHGKBUSA-N 433.549 0.960 30 20 ICED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)C[C@H]1CO2 1799937174 VTFCROLRTKSPLC-YEXUYLHMSA-N 447.488 0.491 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1803550625 PPQMNIQJNMIANL-UGESXGAOSA-N 441.576 0.762 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cncn1)C2 1804374256 SGVTUZQPRFQPRU-YVSFHVDLSA-N 430.509 0.833 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)C1 1806003567 UKSLSBRFDDJMGP-ZWKOTPCHSA-N 441.532 0.864 30 20 ICED O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)C#CC4(O)CCCCC4)CC3)C2)C(=O)N1 1806696454 GKTXUEUETAICNO-UHFFFAOYSA-N 444.532 0.468 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1)C(F)(F)F 1807050035 WJOWZCDTUAGQGL-DZKIICNBSA-N 427.427 0.799 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358603 LXZOVSRMJUTTRW-OXJNMPFZSA-N 433.472 0.936 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(CO)[nH]c3c2)[C@@H]1c1cccnc1 1809113084 BAQJRDXMJGBZNS-AOMKIAJQSA-N 447.451 0.858 30 20 ICED N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)C1 1809744777 DXBMPBPDYLQZTG-OEBVFIGYSA-N 434.541 0.587 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1CC1)CC2 1819851838 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C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C(F)(F)F 1831464506 SBSDCENMAZCJSV-BLLLJJGKSA-N 442.456 0.242 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831811851 OLWMGUHQNRRLTO-JBMWNJKUSA-N 443.504 0.819 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832896331 QPMKNPMVSIWTTI-JOCHJYFZSA-N 443.525 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cccn3)CC2)CC1 1833077149 RBWNSHGIZJKYSM-XFHJGTJQSA-N 442.564 0.874 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cncnc2)CCO3)cc1 1833114005 JGIAIYPQSNRCPX-XMMPIXPASA-N 449.511 0.980 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833187293 LINXLRMZRPEQMQ-AJPHYDNBSA-N 443.548 0.942 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530920 PEAICZGMLORSEB-KFHPEUNCSA-N 439.494 0.137 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c(F)c1 1833637829 WGTYOQAGXQJPQY-OAQYLSRUSA-N 432.452 0.993 30 20 ICED Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833746046 MLFLFKWJTNNHAA-XACCNFBGSA-N 435.550 0.993 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cncnc5)CCO4)C3)c2c1 1834308163 WBGGOQZQKFHIGL-JOCHJYFZSA-N 447.455 0.608 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835342449 ZPAUNFUPIQMXSQ-OAQYLSRUSA-N 427.461 0.414 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1835352011 JREAPXWZLRAZEN-JTSKRJEESA-N 429.473 0.977 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1835504978 PNDYUJNEPSKOPW-HXUWFJFHSA-N 431.518 0.184 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835918987 ZWMJEJMMLOJANP-JTSKRJEESA-N 440.504 0.503 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1837242874 MIPLIMMLSYOFFV-NXYYRJHCSA-N 431.555 0.402 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565274 QCVIXSCJPJDORH-WXRQGEQDSA-N 439.534 0.269 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838305016 AMZXASMYKRVBAO-AUUYWEPGSA-N 426.901 0.735 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774342 YZPSCJLTDSJLTJ-UHFFFAOYSA-N 430.505 0.666 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1839174569 KEXQLRVSVVGBGV-IRUYWQDXSA-N 438.477 0.072 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)n1 1839487824 YHUPEMYWSMPVNS-JOCHJYFZSA-N 449.471 0.552 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncccc4c3)C2)C1 1840040254 SEPUHYWZGIEYBV-QHCPKHFHSA-N 437.452 0.322 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)cc3Cl)C2)C1 1840044158 NZESCOVMSHZBIU-XAFBZQIESA-N 448.859 0.603 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840433455 USZIBRWOQXULDB-AVRDEDQJSA-N 448.520 0.485 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818499 GEOOFFDWKGVBCG-CVDCTZTESA-N 442.516 0.488 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840835403 LLMDFRSBFAZNEW-JOCHJYFZSA-N 427.457 0.373 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840885267 WCWFRGXLIOEMKU-YVABFXQFSA-N 449.504 0.744 30 20 ICED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841893180 JLALYMVLYQDAFN-UHFFFAOYSA-N 444.557 0.425 30 20 ICED O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844303444 AAHNIYHXGYUUDV-UIRAKXSFSA-N 440.547 0.579 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 409582200 ZHJXLWBXIVWTIM-UHFFFAOYSA-N 444.579 0.784 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 428773604 RLZSPKPUGOHIMI-MRXNPFEDSA-N 425.474 0.986 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 430119203 HXQOQVFXMCDROE-UHFFFAOYSA-N 431.522 0.449 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 441777955 NBWFFBFKJQOPSU-SFHVURJKSA-N 438.488 0.860 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@H]1CCOC1 441961398 QOMHQEHXNJPHMM-QGZVFWFLSA-N 441.553 0.829 30 20 ICED Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)ccc1C#N 443892298 SZZFLGVFNVJSRC-UHFFFAOYSA-N 449.510 0.989 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 447394336 QGVJHOLULPLOOL-IPMKNSEASA-N 436.578 0.803 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 461771730 BFIONBIPWZXTJK-UHFFFAOYSA-N 440.460 0.669 30 20 ICED C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 462040348 QXDXUIMHDUAWFK-RRARJMIVSA-N 426.448 0.897 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(CC)o2)c1=O 471209473 ASKLKYDQQWGOLJ-UHFFFAOYSA-N 444.557 0.427 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 477718395 LDILYZQELADYLQ-OAHLLOKOSA-N 446.533 0.512 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Br)c(=O)n1C 478849837 RQFOFGWMAHSLOL-UHFFFAOYSA-N 440.294 0.614 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c2ccsc2)c1=O 479369615 BNYSOSLQMVVOHF-CYBMUJFWSA-N 443.554 0.831 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 484946089 OIQWGLFVBWRHCR-UHFFFAOYSA-N 436.578 0.897 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 488968765 COHAAJNOEDMZJV-CYBMUJFWSA-N 441.465 0.436 30 20 ICED C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 490247787 MNCDUERQXWCEDU-ULVZMRLWSA-N 436.468 0.326 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CC1 491041745 XVVPALAAWVVSCC-IBGZPJMESA-N 430.505 0.629 30 20 ICED Cc1nc(SCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c(C)c1C 502714240 CXDLZOPVIULNQB-IRXDYDNUSA-N 438.575 0.585 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(Br)c1 511394667 DTYTYDWJXXECIE-UHFFFAOYSA-N 434.297 0.294 30 20 ICED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 519848139 VWHKFLSEOJUFQF-MGPUTAFESA-N 439.516 0.933 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc(C(N)=O)cc1 530318066 FEPMGDCUZSPBCW-UHFFFAOYSA-N 436.497 0.024 30 20 ICED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530654675 LGPRJYOOCVPFEQ-UHFFFAOYSA-N 438.465 0.853 30 20 ICED C=CCN(C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 544390111 FTKPBFZLUWOGRA-CQSZACIVSA-N 426.491 0.644 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 551149164 RVYUIMDVPFZCMQ-HXUWFJFHSA-N 440.592 0.592 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 552581254 ODGBQGBZBDLPPO-UHFFFAOYSA-N 441.576 0.998 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 556928759 IWIWZAIBLFSGHK-UHFFFAOYSA-N 440.504 0.841 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 559314631 TWWCIQPQLHCKTH-IBGZPJMESA-N 428.514 0.854 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)c(F)c1 561047381 UCZOQJAIQROONK-KRWDZBQOSA-N 427.480 0.817 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)s1 577532788 SAFKHOBTNAJOME-UHFFFAOYSA-N 432.527 0.988 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 581510258 MFVXEIPODWETCD-SFHVURJKSA-N 425.489 0.102 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 609954033 OOVORJKYOBCZLU-UHFFFAOYSA-N 437.460 0.150 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCn2c(=O)n(CCC)c3ccccc32)CC1 729256753 GXCKCMWYXWTKAS-UHFFFAOYSA-N 425.533 0.887 30 20 ICED Cn1ccc(N2CCC[C@@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 741829584 GVOBPMIDSYSHRW-OAHLLOKOSA-N 445.501 0.978 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(COC)c2)c1=O 743728087 HHNJMACTDBSJDT-UHFFFAOYSA-N 443.525 0.064 30 20 ICED CCc1c(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754527133 MVWDVFMSAVEYLE-UHFFFAOYSA-N 427.442 0.185 30 20 ICED Cc1c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cnn1C 759081555 JDEIUQSHNASQIP-HAVVHWLPSA-N 432.506 0.796 30 20 ICED COCCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 759670021 LBXZCYXKXYGHFA-UHFFFAOYSA-N 437.518 0.997 30 20 ICED C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 774442466 MQIWQPYZNCTRGI-DRFCBZPGSA-N 442.563 0.711 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CN(c2ncccn2)CCO1 774630140 RKNJBACMJSPSOR-GOEBONIOSA-N 431.474 0.464 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 781603384 YSKVEHIBKLZMMU-UHFFFAOYSA-N 429.389 0.961 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 783480705 LNQBQCFTMPFZIB-MRXNPFEDSA-N 428.474 0.262 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)ccc2OCCOC)CC1 786849083 FAHBCFBMBPQKTG-UHFFFAOYSA-N 427.498 0.297 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)cn1 791189492 YTAPTIDIPMPBHB-UHFFFAOYSA-N 446.558 0.981 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)CC1 795824823 VACMKSRSKYHOJA-UHFFFAOYSA-N 448.328 0.836 30 20 ICED C#CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 799088494 YGQKXNLWHCJKLI-HNNXBMFYSA-N 440.319 0.968 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1=O 914567754 SJHBWLHMQKXZRP-UHFFFAOYSA-N 443.479 0.488 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1288170249 OGQVLLMAQUVSFM-OAHLLOKOSA-N 432.506 0.597 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1296664269 MIHKRKOBWBSBBM-WIYYLYMNSA-N 434.541 0.506 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1305207994 YGUVIWHTKJKEHT-MRXNPFEDSA-N 446.533 0.989 30 20 ICED CN1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1(C)C 1321679777 NCCALUWENVJGES-GOSISDBHSA-N 426.521 0.905 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1512395470 OXLAIBOIRIAUON-HNNXBMFYSA-N 425.493 0.874 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1611696676 KDUVJOFACVDZJM-CZUORRHYSA-N 432.572 0.453 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1618815538 PGTKTDAGSSVPRZ-HNNXBMFYSA-N 425.493 0.922 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1711028329 RPNSDWVSKFNHAD-QGZVFWFLSA-N 444.517 0.299 30 20 ICED CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1722767684 JHKGYCPIJBNMDV-SFHVURJKSA-N 437.504 0.923 30 20 ICED CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1768522427 KKGWVASTTWWZJV-IRXDYDNUSA-N 446.533 0.809 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777831877 LOXCJKOFUAURSF-JOCHJYFZSA-N 431.456 0.948 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cnc(O)nc1O 1778007101 OZMQQRUBVYKOPI-LTFINTTJSA-N 446.508 0.487 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740377 SEUBMDBBLYGQJJ-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1779102725 IPGDQEMYDCIGHZ-VQHJOYQZSA-N 431.493 0.802 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779281397 OPIDQRAYQSIIEH-NYHFZMIOSA-N 426.473 0.701 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397778 XMZDRPNFUSWEPE-DNVFCKCGSA-N 445.560 0.890 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962636 YMFGRLHXCYHEMO-HSZRJFAPSA-N 437.500 0.871 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c1Cl 1780098229 GJLAVKONODFVLU-FOIQADDNSA-N 432.912 0.822 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N(C)C(C)=O)C2 1780737995 MNONSPUTMDUPGE-AQOAWAETSA-N 437.537 0.877 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1780745890 TXYDZVRLUPJVLS-ICTHTSFCSA-N 429.473 0.703 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1781268254 KQYCNYOXWDKZIS-NRFANRHFSA-N 427.461 0.911 30 20 ICED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1782358377 WERPWGQLWWCCRO-VGOFRKELSA-N 440.504 0.739 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1782647367 QZINNBGXHJZLGB-NRFANRHFSA-N 429.546 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21 1783530568 GMBAONSUMXZZGM-FBMVRSEGSA-N 427.501 0.773 30 20 ICED CC(C)(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783557590 IIEWACPGHPSFKG-OAQYLSRUSA-N 437.493 0.598 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@@H](O)c1ccco1 1783566773 ZWIIZTVAMZKFHB-YKZZNEAGSA-N 435.477 0.822 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1783567460 QENWFPKEKKRZRY-CVDCTZTESA-N 425.485 0.569 30 20 ICED CCOc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1783702334 FRKUVPBPFKLBBD-JOCHJYFZSA-N 430.457 0.554 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccc(OC)cc3)[C@H]2C1 1783766043 OWCBSMOPFSJABU-JYBBTRFZSA-N 430.501 0.747 30 20 ICED CCOC(=O)N(CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Cc1ccco1 1784305006 HRTCWVIIKNAIPO-NRFANRHFSA-N 447.444 0.156 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785719692 ZHUAITSXGAVVOW-JOCHJYFZSA-N 449.504 0.551 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21)C(=O)O 1786893918 HXJXOXMGISJVLD-HAGHYFMRSA-N 442.516 0.533 30 20 ICED 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 1787395217 BLZMNUFMPGRRAP-QTVXIADOSA-N 431.555 0.170 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1787404850 COIQSYDHXGOGLW-OKYOBFRVSA-N 427.505 0.527 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787499227 AGEWNGJZCKEZFE-HTVCTNPSSA-N 444.504 0.980 30 20 ICED COc1cc(Cl)ccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790712533 ZMZRQJVERNDGCC-ZVZYQTTQSA-N 434.876 0.959 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1791262603 ZYUWCZQXQDAOIY-BODMPHMZSA-N 436.530 0.747 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793314126 JBFMWXXYROSROK-CWPLJXCYSA-N 438.933 0.716 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1=O 1793547792 BVCMVZSCRBVSIU-QTTPAESDSA-N 432.477 0.118 30 20 ICED O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793937209 OTCFODHGZKMPFF-XMMUTZDYSA-N 432.477 0.579 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1[nH]nc2ncccc12 1796217768 VMKBUFRUTSALRA-HJLUTSNXSA-N 442.476 0.690 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)ccc1F 1799327573 KMFXNCIGEIDUDP-YVWYUNDQSA-N 441.467 0.163 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CCOC1 1799330679 BVRBFVJLWYRHBW-PDPLOHQNSA-N 447.532 0.673 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642002 NSELVYRVRKYROT-IYWMVGAKSA-N 428.489 0.107 30 20 ICED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800489084 CMQHFIOCIZRCHL-OWLYRPNTSA-N 427.567 0.460 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803343184 WYAIPASZKMTQQC-FOGAVDIQSA-N 441.488 0.398 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803643254 IFUBTCDHVDCBNI-IKGGRYGDSA-N 428.493 0.478 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2noc(C)n2)[C@@H]1c1cccnc1 1804487115 LTZCTMPJTDBZAL-WJBDPIGGSA-N 438.488 0.880 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812530042 PGWKUILNGZNBAZ-ABSDTBQOSA-N 430.505 0.996 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813222829 DFHZKZKUOPDNBO-JXFKEZNVSA-N 448.487 0.721 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C3=NNC(=O)C3)CC4)c2c1 1823892623 QZRHWUPTFADXEY-SNVBAGLBSA-N 448.468 0.993 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1829266920 GNHWAAXKMOLSPR-UZUQRXQVSA-N 440.500 0.596 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1829765568 ZSKVDIFIIIBSGX-QJKPHDSHSA-N 446.479 0.078 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830210762 KKTIVBVRMLVKKE-HCLVMJGWSA-N 448.516 0.776 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830418484 ZDWJABPOIQPNGV-UYAOXDASSA-N 440.585 0.694 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831397194 VIMKZZHOKJCVTA-CVDCTZTESA-N 432.517 0.180 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1831402241 RHEZXQAPGPLRMA-FDDCHVKYSA-N 440.500 0.531 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831466618 QSQSBVALZYQGKF-OAQYLSRUSA-N 425.526 0.340 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1 1833464507 ILKHKLRMCHQNME-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1833469016 JQANRMWKVWRDOF-HNNXBMFYSA-N 434.566 0.507 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833483032 WOVCYWDPWKBFMS-SJORKVTESA-N 443.610 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833668057 VMGUASYOEVJLJB-WAYWQWQTSA-N 447.580 0.285 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1834402558 QSCXYORPEXOGBD-UHFFFAOYSA-N 444.561 0.377 30 20 ICED NC[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccc1 1834758511 MYWZCNIISZPAAY-HXUWFJFHSA-N 426.517 0.389 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1835098239 COSUFFMSIHSCTI-JOCHJYFZSA-N 438.440 0.010 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835267392 JXFGYTIUKYZGEE-JOCHJYFZSA-N 433.480 0.857 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cncnc4)CCO3)C2)cc1 1836047054 MAOLEUFNHRIUHF-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1836858310 JFRXSDOQOPSMLH-INIZCTEOSA-N 431.489 0.736 30 20 ICED C=CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079594 SEAZTLGTRBFRRM-UHFFFAOYSA-N 427.567 0.292 30 20 ICED CCOc1cnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1837275502 FQCFWENDBMKEDW-UHFFFAOYSA-N 430.461 0.576 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837399340 QVGCKOLRMDLNNH-AAADOUPPSA-N 433.505 0.728 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1837400273 BITAUDNHPMKSQO-VGOFRKELSA-N 449.552 0.676 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837444147 PVLBGGBUOHRLSQ-XWRADEMYSA-N 432.525 0.189 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837491027 TYPSWHUFUONIEY-QHCPKHFHSA-N 443.500 0.556 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525761 PEWGDKZYPGZACW-FMWVNSPYSA-N 441.525 0.379 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794310 NLVVFQRYSHLWIC-OAQYLSRUSA-N 439.428 0.440 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842246 TYKMJUICWAPIJK-QAPCUYQASA-N 439.557 0.379 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838215619 GTXIOWWMHNAUJL-NWKSEYAWSA-N 447.492 0.384 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1839227319 CIKXZYPPVQVBPE-UZLBHIALSA-N 439.509 0.587 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839345288 YOFOXOSRVRVUGL-JTSKRJEESA-N 449.573 0.912 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839651156 ORMCAJMYEPGGAX-NRFANRHFSA-N 440.460 0.085 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2)c1ccc(O)cc1 1840028598 DFILIJLYFYMYDH-FHJLPGHOSA-N 430.501 0.726 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1840157245 ISTAKHJJQKEROS-QYWGDWMGSA-N 436.530 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269388 BYZXAKMBAKTRJH-JBYIUTFZSA-N 436.553 0.276 30 20 ICED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1845411779 LBZJJKXWNURDMV-UHFFFAOYSA-N 430.530 0.995 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 429158612 CRAOYIZCFLRHSJ-UHFFFAOYSA-N 448.553 0.390 30 20 ICED CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 435297819 JPRLYAOKSHPEKJ-GOSISDBHSA-N 431.452 0.933 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 437715344 FRHGBQHZPIJYSI-RDJZCZTQSA-N 430.505 0.931 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)c1 441952225 IPPDQMQFHPCCKN-SFHVURJKSA-N 439.537 0.617 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCCc3ccc(OC)cc3)no2)C1=O 445412130 MTIORGPOLIOHPO-UHFFFAOYSA-N 427.417 0.456 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CCN2CCOCC2)c1 465238985 DTLBZTCGWZUKRU-INIZCTEOSA-N 425.497 0.620 30 20 ICED CS(=O)(=O)c1nccn1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 476480340 HXUWFIIDXIMMBV-UHFFFAOYSA-N 430.446 0.755 30 20 ICED CCOC(=O)c1c(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C#N)cn1CCOC 481385701 DZVXMSITRMOIOU-ZDUSSCGKSA-N 427.483 0.338 30 20 ICED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCN3C(=O)C(=O)NC[C@@H]3C1)CCCC2 485425763 JBRPJWCBSHNNSL-QGZVFWFLSA-N 446.511 0.809 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488612599 VFAXQYFMJBMROK-LJQANCHMSA-N 444.455 0.698 30 20 ICED C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@@H]1N1CCN(C)CC1 497478826 ZORLZOCZPCPOEZ-XLIONFOSSA-N 433.578 0.977 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)NC)c2Br)C1=O 501447399 INWOTEXKGPRVLH-CYBMUJFWSA-N 437.294 0.993 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] 521251179 VJXXOVADOMCTQH-UHFFFAOYSA-N 444.469 0.430 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 521753892 RIDYBRQYUIOJEO-RDJZCZTQSA-N 436.534 0.800 30 20 ICED C[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 527214412 UGQUDOAZTXEKHJ-AWEZNQCLSA-N 433.490 0.574 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n(CCC#N)n1 532996085 WSHYLLFKRKQHTO-UHFFFAOYSA-N 438.444 0.757 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](N3CCCC3=O)C2)CC1 535575487 IPLMJBDOKOBOEH-GOSISDBHSA-N 445.545 0.088 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 541081628 SKRHUNPHETWTNW-UHFFFAOYSA-N 443.466 0.721 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 547434185 UHJCDSZOVDAMGG-UHFFFAOYSA-N 442.566 0.633 30 20 ICED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 550570393 XAPRMQVNBNSPJE-CRAIPNDOSA-N 449.515 0.971 30 20 ICED N#CC1CCN(C(=O)C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 550639634 PUOUUTOHKGKGHZ-UHFFFAOYSA-N 427.505 0.726 30 20 ICED CN(CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557593205 PGOIELVIXQYEQF-DOTOQJQBSA-N 442.563 0.403 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)o1 558727377 UXNLISSTWLTLSB-LBPRGKRZSA-N 427.446 0.953 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2=O)cc1 561613678 IBRZYIQFVNCNDN-GBESFXJTSA-N 426.473 0.182 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)C1=O 563238903 FOPIXUZOAQPFRN-VQTJNVASSA-N 428.533 0.730 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1C1CC1 590996946 IZXMLWWWMFYJBC-UHFFFAOYSA-N 429.498 0.528 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 590998072 CCXMLIYFIXCCSV-GFCCVEGCSA-N 428.470 0.807 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CC=C 603792216 WOAYHZXVPVBCHG-UHFFFAOYSA-N 441.509 0.927 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603793475 QBTXVHZAGOLYHK-UHFFFAOYSA-N 439.493 0.244 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 672355828 QDSHNHSOEJLGHE-UHFFFAOYSA-N 432.496 0.642 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 726401734 RWGDWQBISRGZOO-WFASDCNBSA-N 431.518 0.864 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CC(N)=O)c2=O)cn1 727161224 SAZQXISSIWAQRY-UHFFFAOYSA-N 427.873 0.168 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 728572462 FRAYVROXUJCRKC-UHFFFAOYSA-N 425.533 0.231 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)Nc2ccccc21 729358011 CVNODBIKHUHJIM-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729673607 XLXONNXFYLWDMZ-UHFFFAOYSA-N 437.518 0.121 30 20 ICED COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1-n1cnnn1 741738439 VMEWCGWQQQZKGY-UHFFFAOYSA-N 427.446 0.738 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)cn1 743728700 OPLCUMZAOKOLNC-UHFFFAOYSA-N 429.546 0.534 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 745356753 MUHNKLAEIYXLSV-LLVKDONJSA-N 437.478 0.967 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cn1 746393575 KYCDFDYTMWCZPU-UHFFFAOYSA-N 427.440 0.058 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC(C)C)c2)c1=O 758088986 IUPJIIPRSATLBX-UHFFFAOYSA-N 425.510 0.596 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)c(=O)n(C)c1=O 761217162 YWKYVVSPFYTKQT-UHFFFAOYSA-N 427.413 0.292 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 761915079 KDROYFJLMJTAOM-IYBDPMFKSA-N 435.502 0.265 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 771459109 MYTKZEFANGSSKD-CYBMUJFWSA-N 448.501 0.814 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC(N)=O)c2=O)cn1 772311619 FZIAYQWJQOIVQO-UHFFFAOYSA-N 441.419 0.356 30 20 ICED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 784432225 GNQMAERNBWQGOG-UHFFFAOYSA-N 433.513 0.746 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784447751 BAMHJWCVGMOMIX-OQKWZONESA-N 435.506 0.827 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)c1 785840290 VYMOTYOZHZPRRU-SILNSSARSA-N 443.551 0.784 30 20 ICED CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 787755443 LXTGJIMGGWYENS-INIZCTEOSA-N 445.524 0.149 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOC4=O)c3)CC2)nc1 789591073 YYMKUWTVTAIZDE-UHFFFAOYSA-N 434.456 0.875 30 20 ICED C#CCN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 818589329 WTCPOKFXHSXBNZ-UHFFFAOYSA-N 435.546 0.945 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 853705533 OLQHPJVWSVVXDM-CYBMUJFWSA-N 444.469 0.767 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 915193082 MOIXQYNIGRVIBM-CYBMUJFWSA-N 428.536 0.046 30 20 ICED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918421807 WOYSDCMRZZGBHC-PGMHBOJBSA-N 437.522 0.375 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1=O 1116399744 JVGZECPGCFXVGH-HNNXBMFYSA-N 428.470 0.756 30 20 ICED C=C[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1116648887 JEQIVIWEQYQWDJ-MRXNPFEDSA-N 427.498 0.756 30 20 ICED Cn1cnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 1253980515 ARKXDSIWZWGROS-CQSZACIVSA-N 427.490 0.714 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1303771879 SHVSRQALNDYJOL-CYBMUJFWSA-N 425.536 0.731 30 20 ICED CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1360791392 VWHLKMVIUFLKFH-HXUWFJFHSA-N 430.534 0.944 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1510195374 VRCCEEMJYOLNBR-IHGWFWLKSA-N 434.563 0.877 30 20 ICED CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1540928827 JAZUUIDHPMLGFM-UHFFFAOYSA-N 445.549 0.813 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1611360885 NJLKLCKHOIRZIT-OAHLLOKOSA-N 428.493 0.970 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1692804828 UAVDROWLVQNXAV-YJBOKZPZSA-N 447.565 0.727 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1697022549 IJPHFCBCZDDXPG-ZWKOTPCHSA-N 446.533 0.750 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1763206171 YUJZDMVLYPTMGO-KRWDZBQOSA-N 437.504 0.814 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1770412577 KZLVJQNJIKGEJQ-CVEARBPZSA-N 446.533 0.964 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1771109474 RXAMAXFYRXMNKS-UHFFFAOYSA-N 433.557 0.991 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552095 DAECBQMKOUKKOF-RETMYHCQSA-N 447.492 0.638 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1778959030 DOPDJJJXRZXVMI-KSFYIVLOSA-N 443.504 0.475 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416949 MSGZPKSVTZTBAI-QUOJIARXSA-N 435.437 0.895 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1781399693 FITHZCRDQTXKTO-ACJLOTCBSA-N 442.563 0.478 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)c1 1782059845 UPFKEDVSBUFZJM-JOCHJYFZSA-N 437.456 0.885 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)[C@H]2C1 1783576146 SOAFERKANFYGDA-XSLAGTTESA-N 447.532 0.768 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)C1 1784082043 QQMPJFRIUDVLGY-BCYZHJNNSA-N 448.564 0.837 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1784392108 FMEMHZXIEIODSY-FQEVSTJZSA-N 442.501 0.921 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1784492544 WHSZMMZPOVYSQW-TUFLPTIASA-N 430.549 0.914 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1784493020 FKJANTIEFBOXFT-ULQDDVLXSA-N 434.493 0.524 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccnc3)[C@H]2C1 1787104862 MLFDLEXGBXHTRZ-KDHUBKHVSA-N 426.517 0.852 30 20 ICED CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788657656 GQNQZTABXBLLCY-NPVSHWEQSA-N 437.493 0.614 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789709125 MGQWXWUQILIWJQ-BPUTZDHNSA-N 445.545 0.421 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792165066 VRYWQBVBMUFWPL-QZHFEQFPSA-N 447.532 0.862 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnc(Cl)nc1 1792370114 BEVWFXUOOMLCIH-MYGJJTSUSA-N 437.884 0.862 30 20 ICED C#CCO[C@@H](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 1793349921 RQRRNTAPTYWZPP-AVEIZBFRSA-N 437.537 0.918 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793364627 XTEBTZWXGXXSAG-VPTLXERWSA-N 449.504 0.736 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)c(O)n1 1793490147 JJHMDOOTMZTROE-HBCWATKFSA-N 439.472 0.918 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1793821004 IABYSCKIKATMFQ-AMVBZWJASA-N 426.564 0.298 30 20 ICED 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 1795980168 JONZTOIKKMBKGN-QEOTZNIISA-N 449.552 0.134 30 20 ICED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436722 WLAYMNQALMUCBT-IZZQQSIFSA-N 441.594 0.994 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743791 RDJMACQETVKBIW-QIBIHATKSA-N 439.516 0.998 30 20 ICED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nn1C 1797816056 ZIGJNDZRXBJNFO-TYGXFAMMSA-N 433.509 0.715 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C#N)cc2)C3)CC1 1797927627 PIACWXJHECZHIF-KOUNCHBCSA-N 437.544 0.903 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c(C#N)c1 1799241410 WGMWWYWWUZOYIX-YDGKCNFYSA-N 440.500 0.225 30 20 ICED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1799288571 ZMYNVBBOLJRQMH-FIUQPQMISA-N 449.305 0.658 30 20 ICED O=Cc1ccccc1-c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1800273632 JDXTVMQRDXZQQT-BBIADKPPSA-N 447.447 0.852 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800290346 XTZHAGHSMYUZLJ-HIRMHNASSA-N 445.520 0.458 30 20 ICED O=C(COc1cccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801348183 PKXZXVJSDGTMDA-UPHUGPLXSA-N 428.489 0.144 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)c1 1801531867 WNHCEOSTHALUPK-HGKCTWBKSA-N 435.502 0.205 30 20 ICED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cnnn2)C3)N(C(=O)OC(C)(C)C)C1 1802506786 PZXLMMUWJGEDDL-YVSFHVDLSA-N 445.524 0.877 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347394 ZQGMEHYILDPSAM-MUQADHOPSA-N 443.504 0.259 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)C1 1804851923 WXMONPILMYXDCW-PLNGDYQASA-N 441.488 0.878 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)c1 1811540449 GEGUAXCGODSYOS-UWJYYQICSA-N 431.456 0.858 30 20 ICED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)n1cnnn1 1817319289 ANXDFCNTXAGELA-UKRRQHHQSA-N 428.501 0.931 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](COC)NC(C)=O)n[nH]1 1819605140 IXUGZZXWVHHZKR-JIPXFFRKSA-N 446.508 0.411 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1826891909 WUBQJVQCHXAERC-QGZVFWFLSA-N 446.552 0.440 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)c1 1829777468 XBIJKZSYHSZLEW-UGKGYDQZSA-N 429.521 0.770 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830415703 UXSKFCIZTAHYQC-OFNKIYASSA-N 443.500 0.954 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@H]2C[C@H]21 1830748225 JEWKAFCLYKXNNA-WBYLCXCBSA-N 448.520 0.754 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831386335 FEZJQCQNGKEXDC-VGSWGCGISA-N 431.489 0.127 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1831387435 PJXLZDSTUKDUAL-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831420327 WPENAHDHHBVGKV-ZHRRBRCNSA-N 446.504 0.701 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831486442 XQKGZGKAESOSAU-HNAYVOBHSA-N 426.539 0.453 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831491805 GFGQRUUZUKDOEB-XMSQKQJNSA-N 447.557 0.954 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832340308 JKOJVLIQIJHGIA-XMSQKQJNSA-N 436.553 0.684 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnc4)CCO3)C2)c1 1832676826 QWXUBSQBBXNDKB-NRFANRHFSA-N 425.445 0.430 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)C(C)(C)C)CC2)CC1 1833074407 NMFUGCVXFPYGTI-NGXITPROSA-N 434.581 0.823 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834085408 YIUVPNVKAJTZLF-NRFANRHFSA-N 432.477 0.364 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834156237 RNRYJXHVPNVZJJ-NRFANRHFSA-N 426.429 0.695 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192329 FFCNBWVJAYVWQY-RRPYSREYSA-N 448.476 0.386 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1835628681 TWQMPNJOIJSKLB-FQEVSTJZSA-N 436.465 0.145 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678028 VGAPJLXBVNJIQC-NRFANRHFSA-N 430.509 0.137 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836125035 YUWHTIMLJQCKKK-FXAWDEMLSA-N 439.534 0.420 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837088834 QBRTUSLPKSJYJE-QFIPXVFZSA-N 432.521 0.882 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837398503 CKBPFBFDIZJPDD-JPYJTQIMSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1837403105 NMBSXPCAEUBBDI-XXBNENTESA-N 448.564 0.920 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837440950 INMSPYAFSDVMOS-AJPHYDNBSA-N 443.548 0.942 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447962 ZCZIEMXHHMYKTN-NPJMMCDESA-N 442.582 0.029 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837533321 ORAXJGPIUMIODA-JPDVTSGLSA-N 427.473 0.864 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838117092 MQHLOKQNKFMYNP-QHCPKHFHSA-N 435.484 0.751 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCc5nc[nH]c5C4)C3)C2)c1 1838742022 MGQOWBOITONWKK-KSFYIVLOSA-N 438.488 0.485 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1839173391 MPIFRPVANAHAAC-LAUBAEHRSA-N 434.493 0.410 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839174026 AYNKXFMBBNVJHT-NRFANRHFSA-N 448.476 0.065 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1839174053 CGANEPSPBIIUKO-OAQYLSRUSA-N 432.477 0.364 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1839451753 LVBAPPSJBIHNQZ-NRFANRHFSA-N 445.545 0.953 30 20 ICED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C1)CCC2 1839584437 PYZKNFSNTUVBRA-QFIPXVFZSA-N 427.505 0.673 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840166398 GUFHUEBWIBFRJP-JOCHJYFZSA-N 425.489 0.691 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840605908 FKPUUJHSKJGYDK-IKJKNFHUSA-N 439.512 0.840 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623860 LMEYPYNLLPPVTM-CQSZACIVSA-N 442.538 0.431 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1842919964 VTWVHBDXJFVTKZ-UHFFFAOYSA-N 439.582 0.143 30 20 ICED N/C(=N/CCC(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 303977571 LLNFNOSZMPMZML-UHFFFAOYSA-N 440.527 0.791 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 409536143 LQEDHACIKUFRQL-AWEZNQCLSA-N 446.551 0.346 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(Cc2ccccc2)c1C 428785626 HBJQSGJHUIDSMV-SFHVURJKSA-N 434.500 0.606 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N4CCCS4(=O)=O)C3)CC2)o1 434748469 UXSBSOJPTWOKSZ-MRXNPFEDSA-N 436.538 0.003 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 442217748 PYHOIFSGOZZOFH-UHFFFAOYSA-N 443.427 0.909 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 444586592 PHOGSBLCBJYQFC-SFHVURJKSA-N 435.488 0.685 30 20 ICED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 445184216 CTYISOZEHLTZDI-IAGOWNOFSA-N 425.445 0.824 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1CN1CCNC1=O 446533311 WVGOMBKOOSXYTQ-UHFFFAOYSA-N 428.493 0.225 30 20 ICED C=CCN1CCC(NC(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 446594093 QUMHIZCZAIVJDB-UHFFFAOYSA-N 427.493 0.797 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 447195316 WLSAHOHNZSOTPX-DOTOQJQBSA-N 425.507 0.283 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCc1nnc2n1CCCCC2 460588509 TYBLPTNRVCETKC-UHFFFAOYSA-N 447.503 1.453 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 467284176 OOXDHNJGVQBMHL-ZGOJQLDESA-N 431.541 0.268 30 20 ICED Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2)n[nH]1 472872117 HQYMQFXOKHSBIZ-UHFFFAOYSA-N 433.476 0.981 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 474280168 UVXHYZKIZSDQBV-CQSZACIVSA-N 448.505 0.099 30 20 ICED Cn1c(=O)c2ccn(CC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2n(C)c1=O 479280196 NSMGUAITQXVJNQ-UHFFFAOYSA-N 434.500 0.713 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c2ccsc2)c1=O 479369616 BNYSOSLQMVVOHF-ZDUSSCGKSA-N 443.554 0.831 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 480142345 MPRRMLCGVPDLPK-HZPDHXFCSA-N 437.508 0.980 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 481225303 LTJRFWPSDKKGNM-UHFFFAOYSA-N 428.536 0.109 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 484514102 KKRKSNSMSITLDN-UHFFFAOYSA-N 444.582 0.810 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 497724691 CTHRSCLROMHFHU-UYAOXDASSA-N 449.515 0.294 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2Br)n1 508303763 GSELDMJQVCIJKG-UHFFFAOYSA-N 443.265 0.912 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 511388358 RLOVFXVXGGBZFS-UHFFFAOYSA-N 442.501 0.491 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCc4ccccc43)CC2)c1C#N 515173968 VOGFIWHFSKXJHX-MRXNPFEDSA-N 435.532 0.816 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccnc3OCC(F)F)CC2)n1 516997164 BIUWVTZIRZDNIX-UHFFFAOYSA-N 430.415 0.957 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3F)c(=O)n2CC)CC1 518595335 UKDKVBAQZWNPCK-UHFFFAOYSA-N 432.496 0.875 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 519291337 VYQUYNXXUPKNDO-UHFFFAOYSA-N 430.505 0.614 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)nc3)c2=O)n1 531655823 GOBTYFFLTKOSIK-UHFFFAOYSA-N 437.481 0.345 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H](O)C2)cc1 538781664 PNFFUQVNXVFXOB-WKCHPHFGSA-N 432.484 0.161 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 541743484 JJFZZAAYPQOVKC-AWEZNQCLSA-N 442.563 0.403 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccc(C#N)cc1 550592318 VEAUTXKOHQUPBS-CQSZACIVSA-N 431.474 0.398 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 550754116 UJXNMJAHVQFBKG-HXUWFJFHSA-N 437.500 0.960 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 557281625 LXJQTQZGKYTPPH-UHFFFAOYSA-N 437.475 0.821 30 20 ICED CCOC(=O)c1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C#N)cn1CCOC 561782039 LWBBKQPKNUNCQH-UHFFFAOYSA-N 427.421 0.265 30 20 ICED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 562165894 GQSXVBSCIWXRQS-CQSZACIVSA-N 440.489 0.012 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 569037751 KWALDTSJHNUJMR-FQEVSTJZSA-N 441.513 0.207 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 569274196 DUCYBUWTPNRTMS-FCEWJHQRSA-N 427.505 0.001 30 20 ICED Cc1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cccc1N1C(=O)CNC1=O 574612274 MHNZRFCTTJVRMW-UHFFFAOYSA-N 427.442 0.840 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 584083684 DRXQZGHYWJHEAL-UHFFFAOYSA-N 431.338 0.730 30 20 ICED COc1cccc(N2C[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 584202091 BTSQZHSQSOQMQI-OAHLLOKOSA-N 428.470 0.767 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)CC2)nc1 587640569 LSFBTNYBFZGXSI-SFHVURJKSA-N 426.521 0.219 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610810179 VMVRMDQRYAJAJK-IIYDPXPESA-N 430.490 0.269 30 20 ICED COCCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611429007 XVASGVALDUYGAX-GOSISDBHSA-N 433.578 0.932 30 20 ICED C=CCn1c(C)cc(C(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C 728914526 GRGTYYZJLCFTGR-KRWDZBQOSA-N 443.591 0.608 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1cnn(CC)c1 732796869 KKEOQNPRULWCOB-UHFFFAOYSA-N 439.545 0.922 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 734202941 LIGXFUXXEGXRBY-SFHVURJKSA-N 439.516 0.923 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734567513 INRDTMLOCWRLGA-GOSISDBHSA-N 430.442 0.565 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 735567501 LPXXIELHZSFJGS-NLFAIWHDSA-N 437.522 0.868 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744037112 NFYJABSUELNDDZ-WSIUPNEHSA-N 425.441 0.573 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2)CC1 747791611 JSYFXHIQJLMUAZ-UHFFFAOYSA-N 429.454 0.954 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 749253508 RKXRNORAKGXTEE-KBPBESRZSA-N 433.490 0.047 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCOCC 753356306 AYAMMMPJVXVWAG-UHFFFAOYSA-N 432.502 0.090 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OCC)n2)c1=O 758071685 NBXGMSCUHXVJJT-UHFFFAOYSA-N 440.550 0.415 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 758078108 YXUSRKYKFRZJEX-UHFFFAOYSA-N 449.532 0.618 30 20 ICED C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 769238956 AQXGVBZAVDRTCR-GFCCVEGCSA-N 444.469 0.785 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@@H]1CCCO1 773794272 LMISECWTGXGOAD-UXHICEINSA-N 426.517 0.629 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1)[C@@H]1CCCO1 773800189 UDGXLSMPQKIPEU-ZLIFDBKOSA-N 433.436 0.743 30 20 ICED CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cn1 781657818 DDPUIMWWFAPBTB-UHFFFAOYSA-N 427.530 0.609 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ncn(C)n1 782138836 VEBKYSINHAXLIE-AKVJFXEFSA-N 433.494 0.444 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cn1 786912795 POWKOPWAUGIPGY-UHFFFAOYSA-N 441.513 0.937 30 20 ICED Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NCCNc1ncccc1C#N)C(F)(F)F 787068281 IZEAZNSJTVZGST-QGZVFWFLSA-N 439.398 0.171 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 788887754 CXCQYROMGWJQRE-UHFFFAOYSA-N 447.540 0.622 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CCCOC2)CC1 795908634 UJEJHCQXHZFJCK-INIZCTEOSA-N 435.502 0.751 30 20 ICED CC(=O)N[C@@](C)(C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 797515328 PGNHFAJXRKCYFQ-WOJBJXKFSA-N 435.502 0.793 30 20 ICED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 799003953 WUMIVSNYECSOPA-OHZJNBGDSA-N 435.531 0.181 30 20 ICED Cc1ccc(N(CCC#N)C(=O)COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1C 803861483 UXWGLQZKRTZYKC-UHFFFAOYSA-N 446.485 0.962 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c(OC)c1 805444169 ROMAZDLPVDHAAF-MODMUFLJSA-N 442.472 0.837 30 20 ICED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 807825398 KJOIOTDRUMRTPH-MRXNPFEDSA-N 442.520 0.975 30 20 ICED CC(C)N(CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 917149740 MLTCVXDRLWXRHX-FQEVSTJZSA-N 449.533 0.502 30 20 ICED COCCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918291533 PHRXVDVSQABGRN-HEHNFIMWSA-N 440.522 0.559 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)ccc1F 919075614 UBMIWOWUFKBHHP-HNNXBMFYSA-N 441.481 0.574 30 20 ICED CCN1CCN(CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(=O)C1=O 919148623 ZYPSXBCZNXQIOL-UHFFFAOYSA-N 439.390 0.407 30 20 ICED Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ccc(C#N)cn3)CC2)c1=S 1115878093 CFPOJLSBMMBMKR-HNNXBMFYSA-N 447.590 0.975 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1166996658 PXZAJXLEJNXIGT-OCCSQVGLSA-N 437.474 0.068 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1303405633 XIOYQGPTLZJRAT-SFHVURJKSA-N 425.541 0.959 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1541802792 XJEKUVJJLGMHQK-CQSZACIVSA-N 436.567 0.852 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1541935495 OTRNVPUSKVVQGU-BZNIZROVSA-N 433.485 0.400 30 20 ICED Cn1c(=O)c2ccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)nc2n(C)c1=O 1611456701 JLVZNDGRMZOPOY-UHFFFAOYSA-N 432.484 0.898 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)on1 1612646986 OKGVFBAZQNBEAX-MRXNPFEDSA-N 435.510 0.696 30 20 ICED N#Cc1cn(CCC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1618332160 UYJLTNLJUGSRET-AWEZNQCLSA-N 446.261 0.895 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCSCC1 1692538348 HVGAFLYFQBWIST-KRWDZBQOSA-N 432.598 0.642 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1706871560 QFPDUWIUEDZQKG-KBXCAEBGSA-N 441.533 0.733 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1709143098 XEGPJIAJUAMVED-MOPGFXCFSA-N 428.585 0.960 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1729733870 KHYKAZOWAFWAFO-UHFFFAOYSA-N 436.480 0.367 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1748287361 DGWRJLJSYHCBDH-UHFFFAOYSA-N 435.492 0.972 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1778115815 PQDHTKNMAVTQGD-HXUWFJFHSA-N 449.533 0.001 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1778973101 ZCWLGPMWMNGQHG-VFNWGFHPSA-N 429.477 0.452 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949990 KHECYODNOQKOQS-VGOFRKELSA-N 427.505 0.675 30 20 ICED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568375 WCZRWDYKRNDSGJ-BTYIYWSLSA-N 437.493 0.598 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1783847974 DHDMDNYCNIOAHP-VKOSEKGYSA-N 445.516 0.430 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1ccccc1 1784115220 JNCYMLGVLDSXRR-CPJSRVTESA-N 449.507 0.939 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215947 XJCAMWBLKNSQST-XIRDDKMYSA-N 447.496 0.053 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1)C(F)(F)F 1785219032 VPNGILPDTYRSJD-UBHSHLNASA-N 431.371 0.890 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C[C@@H]21 1790792709 ZBQDCAGXTQDBRT-XLAORIBOSA-N 435.521 0.625 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791132264 GYYFTCSJZKEDTE-MUGJNUQGSA-N 442.553 0.627 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC)c1C)C2 1792490334 OFVUZHUNJCSPID-KALPFLKPSA-N 441.528 0.994 30 20 ICED C#CCO[C@@H](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 1793344655 RIEUAJJRIVFWPM-FJIDUMEYSA-N 449.548 0.871 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793362296 YSMSOZJEVAGHQF-JFILPPLUSA-N 427.548 0.027 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@H](N)C(N)=O)C3)c(O)n1 1794823896 UZEKHOJRXUZWEH-DFGXFYAUSA-N 429.521 0.750 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1797783300 KZMTUAMDQXDJCF-XEMDLRDOSA-N 437.500 0.631 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1797812309 PSXIUNFWPSNQTM-KDPMZQQDSA-N 442.476 0.462 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797838011 OYEGMYPEMILNSQ-XNHQWUFLSA-N 427.501 0.987 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1802488389 VSVPINFHGHECPX-WUDFEMJASA-N 436.472 0.343 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(n3)NC(=O)CC4)sc2C1 1816667262 KSOOARBSPHHBHZ-LLVKDONJSA-N 439.453 0.737 30 20 ICED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[nH]n1 1821879574 REMLGXKLORMROC-UONOGXRCSA-N 432.481 0.804 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(N4CCN(C)CC4)CC3)sc2C1 1822712561 OTJAHOKPYQGZTM-JKSUJKDBSA-N 445.589 0.873 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)CC1 1828503730 BHFAOFKLWQGDHK-QGZVFWFLSA-N 441.488 0.338 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c1 1829630104 RJOWPYMBVAVBQJ-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1829762385 IOIYLNKKLHBLIF-YOXWTLATSA-N 432.452 0.149 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1830059658 BMAJPHIGUVYEEN-HXUWFJFHSA-N 432.433 0.920 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1830210964 RPGVQHFWDZUWSI-PGRDOPGGSA-N 431.489 0.735 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831108036 WAWAFQOAKFHEPO-SIKLNZKXSA-N 438.569 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1831397286 QETPBOPGKOQRRM-MBSDFSHPSA-N 429.517 0.861 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1831410613 DYDKFCKEUNUCIY-CVDCTZTESA-N 447.532 0.849 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831423981 AJNNOKLKXUMDAO-ZHRRBRCNSA-N 432.521 0.950 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1831425851 FTXUAOCDDKEYJV-JBYIUTFZSA-N 433.505 0.457 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831427666 XGPFHPGYEFWRGG-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831491340 AEGGLHPLYVPRRV-FXAWDEMLSA-N 433.534 0.754 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833166309 CKBZFUIDENQGPB-SKPKZUESSA-N 447.492 0.005 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833199565 UIBCBLUWVCJWPV-KGVIQGDOSA-N 434.537 0.549 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Nc3cnccn3)CC2)CC1 1833468306 QXWFUUYOVHLTJR-QZTJIDSGSA-N 442.564 0.887 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834586506 ZTEQSDRQBXZNLC-NRFANRHFSA-N 431.493 0.139 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835050084 YNDBXVJAFDYUFR-GUYCJALGSA-N 425.624 0.903 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100537 YOOPHPWDDJCCIC-WZONZLPQSA-N 425.485 0.185 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836125036 YUWHTIMLJQCKKK-PXNSSMCTSA-N 439.534 0.420 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c(Cl)c1 1836139322 KPDILSWSAPEAOX-FQEVSTJZSA-N 444.879 0.573 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015745 GBJGIPIRKPDBQS-JTSKRJEESA-N 443.504 0.372 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1837303300 PNOMEABGDVRCOV-VGSWGCGISA-N 432.521 0.819 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531255 GFCIKNUMGQVDMM-JETGKSLASA-N 441.525 0.785 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1838440285 VXAMTLKPODWSIP-ZUOKHONESA-N 434.518 0.667 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnoc4)C3)C2)c(C#N)c1 1839132317 CDMJZZZEHXWAPS-QFIPXVFZSA-N 440.456 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1839173329 KFURKEWPZHBNFV-QHCPKHFHSA-N 445.516 0.898 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1839175580 RIXVAHAWIHPYPD-JOCHJYFZSA-N 448.520 0.535 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1839453975 MDGSPSBTWLAAPN-OAQYLSRUSA-N 449.529 0.371 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570248 CRQPEYWMVJHSRG-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572300 QKSHIAVKNATUAE-WAIKUNEKSA-N 443.500 0.842 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839651747 PJFCGSRCLAUPPG-QFIPXVFZSA-N 430.505 0.765 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1)C(F)(F)F 1839894592 HDZVVIKEBXFWGA-QGZVFWFLSA-N 434.411 0.905 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@@](=O)c3ccccc3)C2)C1 1840162921 AOEXUSNVJDRWMB-GHZHFLLGSA-N 440.587 0.957 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840295516 SSYJKXDXGAXOTM-XPPIMPSXSA-N 432.517 0.980 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c(O)n1 1846033000 BEZDZMMEGNJGCO-UHFFFAOYSA-N 432.521 0.009 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1846415267 DKWUWQTYGGTTLC-QGZVFWFLSA-N 438.484 0.644 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1ccnn1)C2 1847071081 OFUGCJLNSJLIQM-HOTGVXAUSA-N 430.509 0.959 30 20 ICED C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 11674569 STFVNOMXPHMRGX-UHFFFAOYSA-N 437.518 0.454 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 15527602 QURQCKOQNBQULE-UHFFFAOYSA-N 440.481 0.817 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CCS(=O)(=O)C1 18588014 YRYXONREANISEE-GJZGRUSLSA-N 437.518 0.763 30 20 ICED CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1 20629056 KSXKENFQPQQODV-UHFFFAOYSA-N 435.550 0.238 30 20 ICED CN(C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 58875506 VGJPNIBGNAPAQA-UHFFFAOYSA-N 428.536 0.061 30 20 ICED Cn1ccnc(N2CCC[C@H](NC(=O)N3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)C2)c1=O 440347651 WOFABZHGCIALCF-VBURHUQHSA-N 447.499 0.804 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 440372471 FFGLRCIMAXGTTF-AWEZNQCLSA-N 444.513 0.455 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(COC)n1 442475305 GMGOFFAUUPQOEN-HNNXBMFYSA-N 445.432 0.651 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 446530590 IOPDSBAGZVBSDG-UHFFFAOYSA-N 438.488 0.305 30 20 ICED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 447911650 FGSMXOBCXRQUBI-KDOFPFPSSA-N 443.504 0.329 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNc1ccccc1[N+](=O)[O-] 460607195 FRPAPUAFZOGVRW-UHFFFAOYSA-N 434.416 1.522 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)C1=O 464280793 HJICOGQVSWZFKZ-GFCCVEGCSA-N 430.417 0.283 30 20 ICED C=CCc1ccc(OCC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(OC)c1 467052558 AMRVRGXGHLJWCT-UHFFFAOYSA-N 429.477 0.291 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 487506307 RFLQNOAXPOECRR-IBGZPJMESA-N 441.513 0.848 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 489040199 MHHKAYDKXYPIJV-CYBMUJFWSA-N 435.465 0.689 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1 491204397 YYMMSIBRLRHVPJ-UHFFFAOYSA-N 437.504 0.734 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508695921 FSXVLPQHFPKTMI-UHFFFAOYSA-N 449.537 0.816 30 20 ICED CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 514527291 WNXWBUXMHCUJDO-LJQANCHMSA-N 433.490 0.112 30 20 ICED CNCCCc1[nH]nc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1C#N 516555410 VKQDFLWTGGPUSI-UHFFFAOYSA-N 432.506 0.943 30 20 ICED COCCOC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516888948 NUYBFUVXGUTHFZ-RTBURBONSA-N 428.489 0.287 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C 519190576 WLLXCNVYLADETP-UHFFFAOYSA-N 439.516 0.843 30 20 ICED C=CCOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 520624649 SLJADZGYBMCFMZ-UHFFFAOYSA-N 425.507 0.685 30 20 ICED COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 537154614 WSIHHJGPJSMQAJ-UHFFFAOYSA-N 434.522 0.802 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1Cc1ccon1 537394770 RKHHWSWCVWDYJU-UHFFFAOYSA-N 437.481 0.463 30 20 ICED N#CCCN(C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)c1ccccc1 538531820 SJZSZECWRDLKPH-UHFFFAOYSA-N 427.461 0.446 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543015150 UYPKEOGFBIBWDT-UHFFFAOYSA-N 427.440 0.102 30 20 ICED CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 545274347 VSENZTUEMXSDDQ-ZDUSSCGKSA-N 433.494 0.802 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccn(CC(F)(F)F)c3=O)CC2)n1 546197956 PMBWPVXTEIKYJV-UHFFFAOYSA-N 434.378 0.965 30 20 ICED CNS(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 550100066 XRSWEUAMVOGJCS-UHFFFAOYSA-N 448.505 0.631 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 561368531 QXUPXWVLNLRECU-RTBURBONSA-N 427.549 0.818 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 561955766 WCFDINPYNZGRAK-UHFFFAOYSA-N 448.501 0.530 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)CC2)nc1 562134197 HIADWSGEHJWAFC-QGZVFWFLSA-N 436.447 0.663 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CC1 574724479 IGLPJARDFGXOMI-CQSZACIVSA-N 435.444 0.783 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C 604270377 XEDITLQIBUABSP-UHFFFAOYSA-N 432.571 0.787 30 20 ICED CC(C)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 608923108 ZEMDJLSYZGBUGZ-UHFFFAOYSA-N 433.578 0.665 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 609220922 SIWZPPJAKHYAKD-UHFFFAOYSA-N 436.468 0.695 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610289649 JDUKXVHMCDMNES-GNVJSZRZSA-N 426.448 0.697 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 610807175 SUCVLIOFPGLZCH-LPHOPBHVSA-N 433.578 0.852 30 20 ICED CCn1c(O)nnc1C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 611212242 HICJIGDJPABJDT-ZDUSSCGKSA-N 432.506 0.948 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613078496 QPUCLLNDEMBVLG-UHFFFAOYSA-N 431.470 0.050 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619676886 CDRFOGLSFDEGSZ-UHFFFAOYSA-N 435.531 0.809 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1F 669652964 BYBUKHBHEIOBRS-ZDUSSCGKSA-N 445.472 0.042 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)CC1 728573745 UFGYYJQZHXREHH-CQSZACIVSA-N 445.545 0.898 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCn3cnnc3C2)c1 732491090 BKGSSONGEKINOL-JCMHNJIXSA-N 431.478 0.072 30 20 ICED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 734068286 CCEYBZBIORPPKS-HXUWFJFHSA-N 433.578 0.915 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734563686 YUPOUPIZWWRMIL-LJQANCHMSA-N 444.469 0.955 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(COC)cc2)c1=O 742144117 VKDBBGFLEVCYHK-UHFFFAOYSA-N 429.542 0.978 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCSC)c2=O)cn1 751833179 ZTIGOAJIVZLGQB-UHFFFAOYSA-N 449.627 0.568 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1C#N 752386289 AYAAFQYXMZNLMD-CQSZACIVSA-N 437.478 0.605 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1Cc1ccon1 765146559 ZBQVYCWKTBIGMA-UHFFFAOYSA-N 440.529 0.927 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)C2(C#N)CCOCC2)c(N)n(Cc2ccccc2)c1=O 767404641 AZJNBIUVUIWBHL-UHFFFAOYSA-N 440.456 0.707 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccccc2I)c(=O)n(C)c1=O 771897529 PEZSDOHLFMLESS-UHFFFAOYSA-N 448.242 0.001 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCN(C)CC3)c2=O)cn1 772302033 HDUHYRQUWKCDIQ-UHFFFAOYSA-N 438.557 0.599 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C#N 776508685 CYLGZNHWHFLXTO-LBPRGKRZSA-N 437.478 0.557 30 20 ICED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 786084290 QXXDVESTDICEEF-UHFFFAOYSA-N 430.490 0.048 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787760017 RALNDJJKWPPQFE-UHFFFAOYSA-N 443.552 0.224 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 789794110 WRDUDFBRDRHMGG-UHFFFAOYSA-N 429.502 0.826 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1cc[nH]n1 789985884 BNOPTPQURSZREY-UHFFFAOYSA-N 435.462 0.191 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccc(C#N)o2)cc1)S(C)(=O)=O 794414290 PTMSQECKRDTGJU-UHFFFAOYSA-N 427.460 0.686 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1 795326805 DQJRERPKXOZDNK-UHFFFAOYSA-N 434.455 0.402 30 20 ICED C#CCN=c1nc(N2CCC(C(=O)OCC)CC2)[nH]c(N2CCC(C(=O)OCC)CC2)n1 804317698 MRMMMHOCJBINLC-UHFFFAOYSA-N 444.536 0.898 30 20 ICED Cc1cnn(C)c1S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 813987512 JUHFQMDULDDHEH-NSHDSACASA-N 425.492 0.051 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCC(=O)N2CCNC(=O)C2)CC1 914957666 ZPSPOALDQDWASB-UHFFFAOYSA-N 427.417 0.524 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCOC 916198198 FMDVJEWXYWCTNZ-UHFFFAOYSA-N 435.933 0.865 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 916423106 CTGBMHJGSFLUBX-HNNXBMFYSA-N 445.453 0.336 30 20 ICED N#C[C@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 918488902 GCXQKTWXGGKMAP-LLVKDONJSA-N 438.418 0.439 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=O 919243069 NYETUXHAHDGEOB-HXUWFJFHSA-N 429.408 0.792 30 20 ICED N#Cc1sccc1N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1300768319 KUOXNIZHLJWZPP-SFHVURJKSA-N 431.562 0.982 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1314951812 QCEGBGVBOAFDMZ-MRXNPFEDSA-N 439.520 0.884 30 20 ICED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cnn1C 1360970958 OCEJTVNPIUGNFI-XJKSGUPXSA-N 436.542 0.297 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1502310385 YMYBPYCRXNEWBL-ZACQAIPSSA-N 440.618 0.510 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1503831971 SADDILFFTCULRO-UHFFFAOYSA-N 432.506 0.755 30 20 ICED CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C1CCCC1 1556978378 UYXLKVXTFWSVTN-HKUYNNGSSA-N 447.561 0.982 30 20 ICED CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1617608180 YMLYWDKIFBKKAE-UHFFFAOYSA-N 436.520 0.801 30 20 ICED C[C@H](CC(=O)NC(c1nccn1C)c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1641681253 QQQVFPSWORLIKZ-CYBMUJFWSA-N 441.517 0.877 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1696330453 PWZBEHLQPVKFKE-OAQYLSRUSA-N 426.525 0.474 30 20 ICED CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709437303 JHXNVQHNLZWQRV-QOKNQOGYSA-N 439.586 0.616 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1723946622 YPJSUSRUKPJOOQ-QGTPRVQTSA-N 425.559 0.085 30 20 ICED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1741126076 UVNGUSMLTPBUJD-OAHLLOKOSA-N 426.481 0.770 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1761431937 OLNBQEGKCXDRJY-IKGGRYGDSA-N 439.586 0.739 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1770460972 NUBBRWHIQJKMOS-UZLBHIALSA-N 447.517 0.156 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1778968375 RLNAYMZVZFTSRX-JTSKRJEESA-N 432.521 0.538 30 20 ICED N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1779104179 GTKBCSCQKMPLLV-XJFDTZBGSA-N 445.520 0.830 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780398103 AGMXLTWSQOMPOY-NRFANRHFSA-N 426.429 0.561 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1781270186 BMCUZINRUHDYDK-NRFANRHFSA-N 431.445 0.763 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782057442 QYFCSWYJIOQMLV-LAUBAEHRSA-N 430.461 0.375 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783196588 FIMGBALVTRWGSJ-LJQANCHMSA-N 426.508 0.808 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1783766894 JDJWQIFBPODQBE-QVKFZJNVSA-N 448.524 0.728 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1784018360 OGUHDOQJKSARTE-GCJKJVERSA-N 448.541 0.764 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643050 DEILGQRBIRZOEU-QHCPKHFHSA-N 427.501 0.858 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C[C@@H]32)CCC1=O 1784975690 HDEVYIDHESWGNT-BJLQDIEVSA-N 437.500 0.689 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)CCC1 1785366615 LMWKKTAPYLYFSH-FQEVSTJZSA-N 427.486 0.893 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)ccc1F 1786724905 GOQOOTUMGLIZDI-CUWPLCDZSA-N 444.507 0.552 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788573668 FPSHNDFQPXFJIM-VJANTYMQSA-N 441.532 0.825 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788658721 MVNVLWBSSVEBJM-GJVNZWLHSA-N 449.552 0.967 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1789955629 MPZLQCUWNLQNIN-IAVJCBSLSA-N 437.566 0.794 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1791329610 BQBCIAMXFINYKD-OSAWLIQMSA-N 436.509 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1F)C2 1792490436 VUEFOAOMIGUMGQ-VLTQWEFMSA-N 431.464 0.653 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1792529718 RATPMRUVVIMUFW-XAPVIXHLSA-N 426.517 0.995 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1793974823 XAOOLHBIIZQXSP-MFCZKXCZSA-N 430.530 0.990 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc[n+]([O-])c2)c(C#N)c1 1794252189 HIVKNGYPJRJHCT-HATOLVCRSA-N 436.468 0.646 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2n(n1)CCC2 1797514990 XFPBDNRSGXRPPX-OZHCATNZSA-N 431.493 0.562 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1797739821 HPWWEDPWLPBNTD-IFPBRKCUSA-N 430.505 0.832 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1797741076 YMBOYUFBWXGPGB-BVZDTZQISA-N 425.493 0.633 30 20 ICED C[C@@H](S)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 1800992566 NWKBGAZYCAHARP-YIYPIFLZSA-N 431.530 0.853 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801513604 BZFOIHMTSDOCSF-MNUGDMRMSA-N 427.523 0.731 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1802016626 SNCXXNHAEUGXPK-UEUMHJPSSA-N 427.501 0.169 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(F)cn3n2)[C@@H]1c1cccnc1 1812291492 DMFKKVNAZDIRTE-LIRRHRJNSA-N 436.403 0.671 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)c(=O)nc1O 1814037460 SAABNGCPUQBYKC-AEFFLSMTSA-N 436.472 0.662 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821470531 QSUPQJHYXAXHPZ-NSHDSACASA-N 429.506 0.734 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)CC2 1825014895 UUMXFNKSYQJGEA-ZDUSSCGKSA-N 438.513 0.723 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826024185 UPWPNKYJWNTWOL-WLTAIBSBSA-N 429.520 0.868 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831427507 RYRVCOKHDMHTDP-AOMKIAJQSA-N 432.521 0.570 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831493917 VSKQBFXGEQNKJI-BNMHGRMESA-N 443.566 0.926 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831498845 PUUNCYPSWFBPOM-LAUBAEHRSA-N 435.546 0.810 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1833469209 MKMFPKKSKRLOFG-ZHRRBRCNSA-N 437.537 0.212 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833677339 GFPMWTSSMMZBOY-LHSJRXKWSA-N 434.468 0.535 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834635094 RFTQUQIBNSYKCK-IBGZPJMESA-N 436.597 0.871 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1834714394 NAWXIQXUBXCHQY-QGZVFWFLSA-N 446.596 0.366 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1835099070 YMEOPCYDSFKWFQ-XMMPIXPASA-N 445.479 0.851 30 20 ICED NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cc1 1835101548 FTHMMZJMEQXYEE-RUZDIDTESA-N 447.491 0.907 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1835448831 XYQKCBYXDPUHTR-HSZRJFAPSA-N 442.516 0.351 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1835732073 LGKWODKTALDKHU-MFKUBSTISA-N 443.552 0.839 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835827588 XXYNDTXGKORMSH-LMNJBCLMSA-N 436.578 0.882 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)c(C(F)(F)F)n1 1836321930 QIJGFOPRAIABQD-KRWDZBQOSA-N 427.383 0.001 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837136250 HIKDROVNTAAUFS-NRFANRHFSA-N 426.429 0.195 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1837303322 QOXUSXRLNDGRCU-PXNSSMCTSA-N 428.551 0.646 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837304807 KTOFCRGBCUHHHP-QVKFZJNVSA-N 432.477 0.726 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccnn4)CCO3)C2)c1 1837878832 NOJIQDPUDYPQHM-OAQYLSRUSA-N 425.420 0.871 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)c1 1838907518 WZXJOLJBWZQQQM-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)cc1 1838949642 MYNXJFDYTWMXOY-SIKLNZKXSA-N 425.441 0.955 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1839061656 HCGZSNKVZAMZPL-QPPBQGQZSA-N 440.544 0.899 30 20 ICED COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131288 VZDDINTWLMSHEI-HSZRJFAPSA-N 445.516 0.992 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1839173502 UPRKJUAIONNXMF-UTKZUKDTSA-N 426.510 0.359 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839224332 ISSWWTDBDAXZPP-SCLBCKFNSA-N 425.511 0.596 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135306 OLWQYFMWYSUOQB-JLGINSKQSA-N 442.512 0.875 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840196309 RIXPBLLFXQNEMK-UGKGYDQZSA-N 432.542 0.609 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1840233480 LKSSPMCMDSVHPM-OPAMFIHVSA-N 444.463 0.294 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840281807 PSQVZJQMOKDMJK-JTSKRJEESA-N 442.553 0.805 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cc3OC)CCO2)C1 1840639572 ZJTNEEBBMVYMFB-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](COC)NC(C)=O)C3)c(O)n1 1842297396 FKZLNKPSJOEXST-SFHVURJKSA-N 430.505 0.874 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCN(C)CC3)C2)c(O)n1 1843914052 OVOHNLXGXWIZTF-UHFFFAOYSA-N 427.549 0.970 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1845188077 FCBIZJHVUGAQHP-HNNXBMFYSA-N 439.509 0.585 30 20 ICED CS(=O)(=O)N(c1ccc(OCC/N=C(/N)N2CCSCC2)cc1)S(C)(=O)=O 305773655 XIRCRCDVIQBKSE-UHFFFAOYSA-N 436.581 0.155 30 20 ICED CC(C)n1cnnc1CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 429293253 LCLGVEXQHPRSBN-UHFFFAOYSA-N 445.549 0.696 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)CC2 433660031 JOINNARDVYFTAO-SFHVURJKSA-N 433.468 0.166 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 434995620 PLOCMSCETMTZPO-CYBMUJFWSA-N 426.495 0.567 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3cccc(C#N)c3)CC2)CC1 439373428 ANVBURLSSYYICW-UHFFFAOYSA-N 426.521 0.194 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 465418381 UAWGXLUORSJOFN-AWEZNQCLSA-N 433.472 0.916 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480108780 LLVGIOOUPBCWJZ-HOTGVXAUSA-N 435.550 0.284 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc(OC)c1OC 480150262 DEVBPIVMWTVCRS-UHFFFAOYSA-N 429.498 0.598 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@H]3CCOC3)c2=O)nc1 489012033 GNTLYQNRJCFTAU-CVEARBPZSA-N 425.510 0.758 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 489402956 XVYRKMHTOQIOTF-UHFFFAOYSA-N 435.550 0.799 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cs1 490543261 LVBDITDEHHSYLV-UHFFFAOYSA-N 433.515 0.586 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3c(C)c(C(F)(F)F)nn3C)CC2)c1C#N 500434908 LJOGXSFJSKQDCI-UHFFFAOYSA-N 438.414 0.948 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccnc3-n3cncn3)C2=O)cc1 505282406 ZBIXQYUTCCWBHW-KRWDZBQOSA-N 430.428 0.784 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccon2)c1=O 505663146 QPYXMDYXNRTZAS-UHFFFAOYSA-N 426.502 0.263 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664240 SDHCTUWLPYACBO-HNNXBMFYSA-N 430.530 0.487 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 506593332 WUZDMKGTZDULBI-LSDHHAIUSA-N 428.536 0.245 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 515513352 GLLRNHQJLGKIPM-UHFFFAOYSA-N 434.518 0.058 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)c1 519015866 VNWOHELEGRAJNH-RBUKOAKNSA-N 426.521 0.361 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 520103915 XLTDVQHSWXIXAJ-UHFFFAOYSA-N 440.525 0.938 30 20 ICED CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 532667546 NHKFEWKSWAIRAS-MRXNPFEDSA-N 445.463 0.408 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1=O 543621508 SCQVGGAPWONRNL-OAHLLOKOSA-N 427.548 0.879 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552580724 ADEKRYRUDDCKKF-PXNSSMCTSA-N 429.521 0.334 30 20 ICED CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(=O)NCC#N)C1=O 553775198 RRDXNSJGSBMDAD-WBVHZDCISA-N 429.477 0.609 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 555691671 DPBSECRIRFJLOC-FQEVSTJZSA-N 427.549 0.386 30 20 ICED Cn1cc(I)c(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c1=O 559254522 MVEUXFLWTRHZNN-NSHDSACASA-N 427.198 0.463 30 20 ICED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560052422 JRBRLWXBZGMBBL-UHFFFAOYSA-N 436.472 0.951 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)CC1 567078653 JBAJFXDYIJNEMW-INIZCTEOSA-N 440.504 0.284 30 20 ICED CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 580101640 BOTCSKWLXYOVAI-CQSZACIVSA-N 430.490 0.893 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](C)S1(=O)=O 582413305 LUSWCLCQHGLDBD-TXEJJXNPSA-N 435.893 1.370 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2=O)cc1 582568120 NJYJCYDEBDVBAM-LJQANCHMSA-N 448.483 0.635 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 588375610 LDUYEDUFQCBKJI-NVXWUHKLSA-N 425.489 0.126 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 590983191 KDVVJQBFBPAENC-UHFFFAOYSA-N 435.889 0.137 30 20 ICED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC1CCN(CC#N)CC1 609342394 WEJVMILDWCTPCT-UHFFFAOYSA-N 447.561 0.710 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 610955717 ZCBMWCGUHCJMPX-UHFFFAOYSA-N 444.472 0.993 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCNS(=O)(=O)CC)cn1 726113998 WDPQTNDYAMRQHE-ZDUSSCGKSA-N 430.556 0.300 30 20 ICED COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400447 JMPHKRIMGHYHIR-HNNXBMFYSA-N 447.517 0.148 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3ncc(C#N)c3N)CC2)cc1 729811177 TWSIVLULZGAHBD-UHFFFAOYSA-N 433.490 0.990 30 20 ICED COc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(OC)c1 732910609 RFZINBPAFFJVNZ-HIFRSBDPSA-N 449.485 0.023 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)CC1 735518103 IGAKDUZBYUZVNG-UHFFFAOYSA-N 436.534 0.282 30 20 ICED C[C@H](CC(=O)N[C@H](c1ccccc1)c1nn[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 743317702 WQHFRQNBDSCMOR-SJKOYZFVSA-N 425.474 0.923 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCOC 748043164 RGSKWVJCFPMTJH-GOEBONIOSA-N 445.541 0.928 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](C#N)C1 754388393 HXTPAKFFTKQQTR-IAGOWNOFSA-N 435.525 0.139 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H]1C 754509526 BNJBZEPVUKNTMP-JOJWKMGHSA-N 435.550 0.991 30 20 ICED CN(C(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(C)(C)C#N 754618857 WIJFDMIYKOREMD-INIZCTEOSA-N 427.461 0.840 30 20 ICED CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 757061545 VXLUOGHLQZYCQA-CQSZACIVSA-N 430.490 0.881 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCSC 763452043 DBNHBGUXHPQAID-CQSZACIVSA-N 434.587 0.656 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(COC)o2)c1=O 765146547 YVRLHDCFOHZKPX-UHFFFAOYSA-N 449.554 0.374 30 20 ICED COc1cc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 768851451 KXWWXQHHIAFQTM-CYBMUJFWSA-N 433.486 0.982 30 20 ICED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1 772843132 SAVUDMIXDFSLSH-UHFFFAOYSA-N 435.510 0.223 30 20 ICED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C1=O 776139073 OTJAWTMLTAGSEU-LJQANCHMSA-N 436.490 0.766 30 20 ICED C=C(Br)CNC(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 804725935 FSOVSQRBNVHDBR-UHFFFAOYSA-N 425.331 0.520 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2ccnc(N)n2)C1 810769992 FVEBKPDOUNXWRJ-ZFWWWQNUSA-N 430.490 0.809 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 810986012 WNYPHFCEFLVLDN-UHFFFAOYSA-N 444.531 0.884 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1288869871 LFLLISUJOHZTAF-IKGGRYGDSA-N 439.586 0.882 30 20 ICED Cn1c(S)nnc1CCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1347747690 ZKSUKXAMGSHJDU-AWEZNQCLSA-N 427.490 0.929 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1503292394 VRJAHBIBMYJKLM-YVGXBJCXSA-N 430.534 0.927 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1504345876 YBACGDWGKKPAHY-MAUKXSAKSA-N 446.533 0.964 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1544555315 UNHLBSJFMFSNRI-VBKZILBWSA-N 444.517 0.033 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)O)c1 1552880668 KXSZSZOUNUSFAX-OAHLLOKOSA-N 434.522 0.695 30 20 ICED NC(=O)C1(N2CCCCC2)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558125077 SOZUJQMOTDEMIB-UHFFFAOYSA-N 447.561 0.448 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4ncccn4n3)CC2)cc1 1584083682 VJGJAYKHDHESRB-UHFFFAOYSA-N 425.474 0.713 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1593885527 NRELLAULPMRLOQ-DGCLKSJQSA-N 434.950 0.182 30 20 ICED CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1620164387 ZWYPRKAGBLLOTC-UHFFFAOYSA-N 437.547 0.732 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCN1S(C)(=O)=O 1620313912 JHFQNIDSNHZTKL-YJBOKZPZSA-N 446.533 0.702 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCO2)C1 1712706928 QVDUPQJIEXEWCH-ZQIUZPCESA-N 428.490 0.232 30 20 ICED COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1=O 1730776464 LPAPVGHLEKMCJR-QGZVFWFLSA-N 429.525 0.749 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1749830684 OQJQODJGDJFDNY-OAHLLOKOSA-N 434.522 0.999 30 20 ICED N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1770752077 PXVOJLHKAHLLDV-KRWDZBQOSA-N 449.537 0.847 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951771 LAKAYQQFVAJRPU-QHCPKHFHSA-N 437.500 0.871 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779067432 STIUISOTEZYLCP-JOCHJYFZSA-N 432.517 0.858 30 20 ICED Cn1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)n1 1779362754 ODSUZXXIKYCUFO-VXCQTLHCSA-N 430.553 0.948 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779380424 ZYKHHZWCPPSXFE-DNVCBOLYSA-N 428.624 0.904 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1779654209 GNGRMGKYHQMWSX-UGSOOPFHSA-N 428.411 0.921 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962247 SWHCXNYFJAABEY-CRESJJQNSA-N 442.476 0.702 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(CO)on5)C4)C3)c2c1 1780398010 FWJOWMZFIZOLMF-OAQYLSRUSA-N 436.428 0.672 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950698 XCLREJYMRKNPLD-NYNQOQISSA-N 436.472 0.814 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c(F)cccc13)C2 1782010458 PLQMWLFTSLQCQK-QVKFZJNVSA-N 428.420 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1783531158 FPWKDAULTNFZHS-SKNOTLCPSA-N 438.488 0.181 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783688503 WSMMINMAOHZLDE-UZQPLGKSSA-N 447.488 0.304 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1783917343 KHUURYSNXDNTIA-KANFNMMFSA-N 429.904 0.950 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784592060 VVMZQDNXRXLKCP-TTYHFUOFSA-N 426.517 0.982 30 20 ICED COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858461 RRKMHUCWKSCBIV-XIRDDKMYSA-N 433.509 0.696 30 20 ICED COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)c1 1786859143 OGDYQLRVXFWJCH-IEZWGBDMSA-N 429.521 0.965 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc(O)nc(O)c1 1787293909 VPOWAMSRQFBSEU-JEHHYGLDSA-N 431.493 0.558 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1788114700 KLLDOUXPILCUNI-CAMMJAKZSA-N 449.548 0.871 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788515825 FLLNYZVDOSAORR-WZQWJFIKSA-N 441.484 0.739 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 1788572787 NGWXSZSGBPLBSQ-PBWTXFEYSA-N 434.537 0.696 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(C(=O)OCC)c3)[C@H]2C1 1789337997 YYNLFFCSEOJDAO-HYJFEMIMSA-N 443.500 0.890 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CCN1 1791343548 CDQPMFJBQWHBEY-XFARZBPLSA-N 436.509 0.021 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1793320151 IMRKYSSZRLCCDY-ZSBFGKGUSA-N 445.501 0.072 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714591 YJJHTRWTOOFLHQ-VPTLXERWSA-N 441.488 0.530 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)c4ccccc4C2=O)C3)CC1 1795407993 LBVUTNRFMVYTAT-CCWDJLKJSA-N 436.468 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795704803 TXZZPDNFQONJOW-XPCVCDNBSA-N 429.502 0.515 30 20 ICED CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cnc2c1cnn2C 1796069592 JWARFDJIJMBECA-CWPLJXCYSA-N 437.500 0.984 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)ccc1F 1796185070 RXCDUYZNKREBAR-MUJYYYPQSA-N 449.446 0.923 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797304428 LJZULSKBIUFKMX-XAPVIXHLSA-N 432.565 0.509 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H](O)Cc1ccccc1 1800634925 QSAHRNWFXHXKHU-ADYITMSISA-N 440.540 0.878 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncnn2C)C3)cc1C#N 1801847787 YQJDDYNSPWDZHR-IZZQQSIFSA-N 438.488 0.991 30 20 ICED 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]1CCCOC1 1802076273 IRDOKKNWIMEHDV-ZSXDVEMLSA-N 449.548 0.919 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1803545062 OMJUMQPCHTZAAB-SFGWALBWSA-N 449.511 0.951 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804088472 REMBKUMWMGAZDO-LAUBAEHRSA-N 443.504 0.622 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095461 PRKMBEXNPPTXCE-YOEHRIQHSA-N 435.431 0.851 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1817316073 YANCYLPDTCJQPZ-UKRRQHHQSA-N 432.529 0.276 30 20 ICED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828584919 PMLVKMOGAQQWFR-JPYJTQIMSA-N 444.532 0.988 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCN2C(=O)OCc1ccccc1 1829018684 VBLAVQSDQWPGES-QHCPKHFHSA-N 435.484 0.968 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829557872 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1833669950 DUZHLVBLDBXUCX-HKOYGPOVSA-N 448.612 0.898 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1834079666 FEBOAMFERBISDL-HSZRJFAPSA-N 435.484 0.969 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834357391 ZABOSXCWYBHKCM-OAQYLSRUSA-N 433.484 0.573 30 20 ICED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1834456302 JQFJBKIKDWAAIL-YUSOBQLHSA-N 435.550 0.993 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1835056354 MTJYCMDWQQUPRY-OEBVFIGYSA-N 446.552 0.717 30 20 ICED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1835117173 OSLMNYYGKNGJAP-UHFFFAOYSA-N 439.582 0.287 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1835362574 NQNYDZSXBZJKCO-JOCHJYFZSA-N 426.473 0.945 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1835439710 OABGRBFYNJWZGF-ZHRRBRCNSA-N 428.489 0.472 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449743 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1840160262 CPSJGYVSXYHVPS-BDJLRTHQSA-N 447.355 0.571 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840163891 RDDDYMXZJCIYQP-YWZLYKJASA-N 431.518 0.656 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1840172393 KMMXFRNVJDFZFH-OAQYLSRUSA-N 436.530 0.883 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)C1 1841170730 CDODIRWXSHOBTR-HJWRWDBZSA-N 431.514 0.766 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842949843 UJNHUXBHDSQBFD-HUUCEWRRSA-N 438.525 0.722 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1845187971 QOGFYJBKWSAPRM-UHFFFAOYSA-N 436.490 0.165 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203249 ODOFOLMKPKRMSJ-LJQANCHMSA-N 445.447 0.938 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)c(=O)nc1O 1846970089 MUQYJAOJNXAVTP-UHFFFAOYSA-N 447.455 0.523 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 30592549 IVBGOVBKZFSFRB-BRWVUGGUSA-N 435.550 0.857 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 430373498 IHXKXBBZNLKAFR-GJYPPUQNSA-N 447.536 0.589 30 20 ICED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc21 441632289 FDSMNDIFWRBWMY-UHFFFAOYSA-N 445.483 0.941 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 442071096 JATDXAZDZFZAAM-HNNXBMFYSA-N 432.477 0.618 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc(Cn4cncn4)c3)n2)cc1 446884651 PWUFIJVTROOECW-UHFFFAOYSA-N 427.428 1.415 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1[N+](=O)[O-] 472992299 KBNMKVYBXCLVPX-UHFFFAOYSA-N 425.449 0.895 30 20 ICED Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478059218 MJEOLONIGYBMLS-VQIMIIECSA-N 429.502 0.902 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)n1 479717974 SVXYHPSRWPWYJL-AWEZNQCLSA-N 438.423 0.769 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 480216105 KZGATTWWSSMTSL-UHFFFAOYSA-N 440.569 0.661 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N(C)C(=O)NCC)c2)CC1 484022934 XZSQCHQZGMOWRK-UHFFFAOYSA-N 430.509 0.237 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 494587625 SGARFLXAELLVLL-AWEZNQCLSA-N 429.520 0.125 30 20 ICED C=CCN(CC1(CN(CC=C)[C@@H]2CCS(=O)(=O)C2)COC1)[C@H]1CCS(=O)(=O)C1 497838925 BVGWMRARUKQUPV-HDICACEKSA-N 432.608 0.353 30 20 ICED CN(C)c1ncc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 501510797 GDYYGHUVKMVQGG-UHFFFAOYSA-N 433.476 0.870 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCCC(=O)OC)c1=O 512762704 UPPJOMFSPJQARD-UHFFFAOYSA-N 431.518 0.107 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 512835294 VZBYDKAPAWWJCD-GFCCVEGCSA-N 429.452 0.792 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cc1 523964329 CKIJUHSLKPXNEE-UHFFFAOYSA-N 438.550 0.659 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n(CCC#N)n1 533317774 APOZKFOUZKPLRM-INIZCTEOSA-N 429.525 0.635 30 20 ICED Cc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 541437039 OUAKSLCZXHOYNG-UHFFFAOYSA-N 436.534 0.096 30 20 ICED Cc1c([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 542584454 JMPNPEPNSROOFT-HNNXBMFYSA-N 430.534 0.784 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(S(=O)(=O)NC)cc3)n2)nnc1N1CCOCC1 544262929 HUMPVZPMFKURIK-UHFFFAOYSA-N 445.505 0.850 30 20 ICED N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)s2)cc1 548482209 LTCHLRJRPLKJKS-UHFFFAOYSA-N 437.489 0.968 30 20 ICED C=CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 555859243 BPUPLOPCTVJVME-IRXDYDNUSA-N 442.559 0.959 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)c1=O 556327279 LIGSVSCGGNKZGF-KRWDZBQOSA-N 433.428 0.456 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 558057867 WTVRPRKKRFYJOX-IBGZPJMESA-N 441.532 0.739 30 20 ICED N#Cc1cncn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1=O 558462617 STAVEQBYMDDFNL-UHFFFAOYSA-N 437.865 0.428 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)n1 560204218 RFGVUZODMPOQMK-UHFFFAOYSA-N 444.517 1.109 30 20 ICED CCN(C(=O)[C@H](C)N1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 564396694 FERRDVITUTVWPH-LSDHHAIUSA-N 425.580 0.869 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)cc1 583471605 RFXRCDYZIJDVQA-UHFFFAOYSA-N 446.485 0.746 30 20 ICED CCN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)CS(=O)(=O)CC 587659539 RLDAQAVKJDHFMK-HNNXBMFYSA-N 435.550 0.710 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659792 ZOAJUPDFJCTFBI-UHFFFAOYSA-N 428.537 0.607 30 20 ICED Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 588870736 QRQOCKAPXWOZMR-UYAOXDASSA-N 434.500 0.600 30 20 ICED N#Cc1cncn(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=O 589257939 CKOGOJVBUYHOBW-UHFFFAOYSA-N 427.486 0.879 30 20 ICED Cn1c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C#N)c(=O)n(C)c1=O 589795371 ZGMXCWAPENTEMA-UHFFFAOYSA-N 445.545 0.764 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 608807520 WKHBMRJGKNCDQA-UHFFFAOYSA-N 442.501 0.295 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 610008826 ZQGAHHWOMLDDSH-GFCCVEGCSA-N 439.437 0.501 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2-c2ccccc2F)c1=O 613979448 PTXKHEFLIHFSHS-UHFFFAOYSA-N 440.435 0.816 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C1=O 726043822 SAAOELICBPXQJM-UHFFFAOYSA-N 449.441 0.482 30 20 ICED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727163446 CDBNICNLRGFYFX-UHFFFAOYSA-N 438.918 0.148 30 20 ICED N#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 727677859 UUQOEUGYWMZYIF-UHFFFAOYSA-N 428.470 0.639 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 728589913 MSPPXDRSSUTRMC-UHFFFAOYSA-N 446.451 0.034 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cccs1 731689793 SKWMXAOZNGXANK-UHFFFAOYSA-N 435.483 0.719 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731811062 JUBCUYGOVUFYPG-LBPRGKRZSA-N 432.462 0.362 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n(C)n1 742797760 GAGVKDIOYUFFPS-DOMZBBRYSA-N 444.517 0.467 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)ccc1F 742912439 OGLGEWNEUWCINF-LRDDRELGSA-N 435.481 0.947 30 20 ICED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746242122 QMGZLNFAYNDSRV-HNENSFHCSA-N 435.506 0.858 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCCS2(=O)=O)cc1 747295199 WLMHISVLXBTYRS-SILNSSARSA-N 443.551 0.656 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)c1 754452677 WRJLDFXLJUPEJD-JMQGSBJISA-N 434.543 0.760 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)nn1 754772321 CEIUTEYHYBGDOS-UHFFFAOYSA-N 441.267 0.119 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cc1 754960833 HZAGGQLQZSUULX-UHFFFAOYSA-N 448.526 0.919 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 761025678 XKLUUMYWJYMKIU-UHFFFAOYSA-N 439.969 0.074 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 761032431 HSUDJHPPSYLCBC-UHFFFAOYSA-N 434.497 0.344 30 20 ICED Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 761136647 QKDJQEGBXFRPKL-UHFFFAOYSA-N 437.391 0.893 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc[nH]n1 772545765 VFXQMLNOTUXNTD-MRXNPFEDSA-N 428.449 0.396 30 20 ICED COCCC[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 778193779 DNWPEWHDGAXVPB-MRXNPFEDSA-N 437.518 0.997 30 20 ICED N#Cc1cccc(-c2nnc(COC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)o2)c1 785660534 VQWWNJKRSXRXKD-KRWDZBQOSA-N 425.445 0.832 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)C[C@H](C)O1 793482815 HVHHYLPRSLGJLD-IRXDYDNUSA-N 449.577 0.528 30 20 ICED CC(C)(C#N)c1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 796040721 RWUOCSNRMVFJFC-GOSISDBHSA-N 433.530 0.976 30 20 ICED C=CCN1CC[C@H](OC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 798560017 IXTKJLORBQVIIK-KRWDZBQOSA-N 437.518 0.777 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)NC(=O)OC(C)(C)C 804045310 NOQYQVVXTRPEQR-PBHICJAKSA-N 443.504 0.805 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 807510036 BFTSMMOSRCEJEI-UHFFFAOYSA-N 428.533 0.379 30 20 ICED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)cc1 807586006 AQGFTXDDFJSEFD-LJQANCHMSA-N 432.484 0.832 30 20 ICED C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)n1cnc(C#N)n1 809124496 IKVVUGKHWHEPQW-ZETCQYMHSA-N 427.215 0.989 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cc(CO)nn1 811598622 WSSQHUOQFYEQHN-INIZCTEOSA-N 434.522 0.574 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 849002757 AROOFNQIKLTPHH-JOCHJYFZSA-N 428.537 0.909 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCN(c4cnccn4)CC3)nc2)CC1 915948381 RGNMGRLGUFXURQ-UHFFFAOYSA-N 430.538 0.876 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 917019769 FMNOHENZCWFIMA-HNNXBMFYSA-N 448.439 0.295 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1 918158069 VRLIVAVGOYLBTG-MNDPQUGUSA-N 428.536 0.168 30 20 ICED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cc(Br)cc(C#N)c1 1194802164 KSTQCMIZJUGNMF-UHFFFAOYSA-N 425.268 0.476 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CCO1 1299133811 MAZQYGFDQMKJMV-KRWDZBQOSA-N 425.493 0.683 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1300903877 WXDHBSYRTLJWMI-LJQANCHMSA-N 440.504 0.964 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCOCC2)C1 1302478568 JTZOEVKJJXUCKM-MAUKXSAKSA-N 442.517 0.480 30 20 ICED COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1315564860 PQZHFXGKTMFWGR-SFHVURJKSA-N 436.476 0.846 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1316528234 VFHZKFYZPOVXSX-MGPUTAFESA-N 427.440 0.584 30 20 ICED COc1ccc(N2C[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1472597933 WNRUPBRUGIQNCQ-OAHLLOKOSA-N 428.470 0.767 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCSC2)C1 1505140204 UXJXVJBBQKRKBP-ILXRZTDVSA-N 442.567 0.093 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1539577766 OPKHUDRKNWIJSJ-LBPRGKRZSA-N 427.303 0.374 30 20 ICED C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541958082 YSFYEAYYGVZNTI-SYNHAJSKSA-N 431.518 0.817 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1543506585 MRSUAMKADIUMRJ-MRXNPFEDSA-N 440.504 0.937 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC(=O)N1C 1545058371 DXNJXXANEFSEIN-AWEZNQCLSA-N 432.506 0.440 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)COC1 1611804626 WFMOAWXTRNAKAT-MRXNPFEDSA-N 438.554 0.778 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1618842572 XUYZRKKBJIXVCT-UHFFFAOYSA-N 433.538 0.134 30 20 ICED Cc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 1643807331 QWRUPDJFEGVXFO-UHFFFAOYSA-N 436.447 0.914 30 20 ICED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cnn1C 1692943608 IVRUUGLVQQGJBW-CZUORRHYSA-N 436.542 0.440 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1712711346 JWSZOKUKVDYBBA-SJORKVTESA-N 443.533 0.613 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1722767681 JHKGYCPIJBNMDV-GOSISDBHSA-N 437.504 0.923 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1748298567 PABUWTFHFLAVAI-OAHLLOKOSA-N 434.522 0.893 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1770749096 UKGLXXWLVXOLOF-ZFWWWQNUSA-N 438.414 0.727 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777932884 CVNIGDJMXKJVBP-GQBLCDNYSA-N 425.493 0.645 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)[C@H]1SC(=N)NC1=O 1778077692 LBKQYHBJHFAZLH-DIMHRPKISA-N 435.550 0.853 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778106053 WDAKQQMOYZGDHH-BZZBUKCYSA-N 435.569 0.839 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778138081 PSTFBYJPHWUKRM-GEYWLOKFSA-N 435.521 0.504 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779063239 VDJBXQBVPOANCG-JOCHJYFZSA-N 428.489 0.627 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102987 LKLMFOFXJLVGDV-WTSMWHHMSA-N 447.448 0.147 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1779137502 PHZALOTVZUUZCQ-FFCJBUTOSA-N 428.445 0.551 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779401412 RISHVCQUDKNCOZ-DENIHFKCSA-N 443.548 0.881 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779467468 PFQLXUYNVXOUGO-OPAMFIHVSA-N 443.504 0.837 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950696 XCLREJYMRKNPLD-JBMWNJKUSA-N 436.472 0.814 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255130 RRSCRYKOPUJBOG-LYHRCORUSA-N 427.501 0.854 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)NC(=O)CC3)C1 1781411548 HXFBJLYADQRIMK-WZONZLPQSA-N 439.468 0.787 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786366 ZWLTYPUURLYYOG-VQIMIIECSA-N 438.506 0.541 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C[C@@H]21 1784480440 ZWYSUXHIPRFHAM-XSLAGTTESA-N 437.537 0.871 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c(C)cc(C)nc34)C[C@@H]21 1784484034 PIVDKAIBIFTXQQ-ZULIPRJHSA-N 439.516 0.978 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784517445 IWCDHRYMNDIUOF-GTAWCEEGSA-N 432.542 0.699 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784518321 VBJKRCIOLSFLPA-OWSLCNJRSA-N 430.567 0.630 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)ncn4)[C@H]3C2)c1 1784668882 OQPZFZTWYULZMY-FNHZYXHNSA-N 437.456 0.970 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1785375460 BAPFBMNKDIKFAT-NRFANRHFSA-N 428.445 0.219 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791605 NDZDYWMVTCFZAJ-QAETUUGQSA-N 429.454 0.459 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)o1 1787028907 QBHJQBNXKMWSKD-GETUGTSYSA-N 435.481 0.429 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)Cc4cscn4)C[C@@H]32)c1 1789344741 AHUAKVJJXZEIMI-MBGYTDRXSA-N 428.518 0.506 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743266 ZTHCIYMAGWPSFW-YNNUGWCRSA-N 429.521 0.910 30 20 ICED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)C(C)(C)C 1797780624 BDMHFUQHNOTMEQ-YHELAOLJSA-N 447.576 0.825 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cncn2)C3)c(C#N)c1 1799241444 YXLFQQGTTUWHLP-HEFCWWFNSA-N 438.488 0.552 30 20 ICED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883423 IBAUTGYWTQTFDW-ZSBFGKGUSA-N 449.471 0.694 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2cccc(F)c12 1800075380 VDVUCDDZECLXDF-VQHGLSKASA-N 441.463 0.764 30 20 ICED 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(C)(C)O)C2 1802125127 QIAYZODEFRYBBT-DFGXFYAUSA-N 437.537 0.654 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)CCC1 1807029840 XCTQEZWSUOCITC-WBVHZDCISA-N 435.421 0.506 30 20 ICED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1809600662 UOTAZVSGCVAQLB-DENIHFKCSA-N 435.532 0.848 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819900224 HQYJFSSGXASEAO-GLDKIERCSA-N 437.478 0.693 30 20 ICED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1820193226 TWGOYVXHHBVVSV-FSJGDKHBSA-N 447.517 0.918 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612766 XWBFZDODAFJGNK-YDTATZAISA-N 437.522 0.307 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1822930972 YDZAXMAYKBMZRD-LBPRGKRZSA-N 446.485 0.490 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825665731 XUWMXOBEFRTDFT-SECBINFHSA-N 445.413 0.769 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1829260275 LHNROFUYZPDOII-HXOBKFHXSA-N 440.500 0.583 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1829762324 DNZKKRAPIPFYFE-CWIOURORSA-N 437.390 0.202 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1830417754 HNXMIRCWPWWBTK-DOTOQJQBSA-N 438.525 0.950 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465346 DUKLLBIHUCHXRJ-OAQYLSRUSA-N 436.892 0.767 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830626075 HBHSTIVZZCEDFG-FLVDQSKXSA-N 441.525 0.379 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1831386869 KMIMJRVMOACODR-JTSKRJEESA-N 433.480 0.648 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)C(F)(F)F 1832154766 FWQMIQQWFXVYHV-UXHICEINSA-N 440.418 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833015703 VMONPAOPSYNCPQ-YWZLYKJASA-N 436.534 0.274 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1 1833074203 ADEWXLUFESBLAG-WAYWQWQTSA-N 431.581 0.512 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833491512 OFCFCXIRTFNXJY-WMZOPIPTSA-N 444.598 0.577 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1C(=O)O 1833604969 TXPCVVMDHDFCDM-OAQYLSRUSA-N 447.492 0.782 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1836574382 UQMIJYYDOOYASW-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)CCO2)C1 1837287534 SZRNLSCGRCQKSA-UIOOOSCTSA-N 435.565 0.356 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1837400635 JEECDHALNNUMOC-HTAPYJJXSA-N 433.505 0.739 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1837402593 IJFWJHVHUHLBSW-GUXCAODWSA-N 430.567 0.130 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441226 XOSZOBVLQZDHNA-XWRADEMYSA-N 432.525 0.120 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(C(F)(F)F)n1 1837960490 DVTCTRAISNDDLW-SFHVURJKSA-N 441.410 0.813 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838736070 HWJRALCTPVLXFW-FQEVSTJZSA-N 427.417 0.076 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827045 NVBDHOKXIUJGAJ-QRWLVFNGSA-N 436.465 0.566 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827609 YHMCDXHYSIHZDM-KUHUBIRLSA-N 437.453 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1839000597 SHISXJRKGJZMNS-LJBSOROUSA-N 449.454 0.893 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 1839362276 JDMBZFVMMLQHOQ-AVRDEDQJSA-N 426.473 0.101 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1839362793 PVCUJBDXQHELRI-QFIPXVFZSA-N 437.456 0.632 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)c1 1839450952 QGUJORKJIVMXKF-QFIPXVFZSA-N 442.472 0.389 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839887753 OZYDZLLCQZCMEQ-HNNXBMFYSA-N 426.363 0.764 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)C2)C1 1840174884 FBLZSJUDGFWQRJ-HXUWFJFHSA-N 440.493 0.875 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840231902 IZAGLBPDYBFBAR-GCJKJVERSA-N 426.473 0.154 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780712 LQKJFDLILLRCTC-AWEZNQCLSA-N 427.523 0.151 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302130 CMLMNELWZVKCQB-XKQKCCJTSA-N 440.497 0.562 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066390 GBFNNRGNBJWNFX-BZSNNMDCSA-N 448.564 0.609 30 20 ICED C[C@@H](C(=O)NC1C(C)(C)C(NC(=O)[C@@H](C)n2cnc(C#N)n2)C1(C)C)n1cnc(C#N)n1 409762719 BPCJRIWFQDSXCY-CCHVVGMOSA-N 438.496 0.471 30 20 ICED CCO[C@@H](C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cs1 410134577 JAIHZZHHFNIUIY-HOCLYGCPSA-N 429.568 0.827 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 431319289 PZZUGIJVMZTGSH-STQMWFEESA-N 435.428 0.938 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCC(=O)NCCN3CCCCCC3)C2=O)cc1 431907732 SUOPPIOZCFPIGE-FQEVSTJZSA-N 440.548 0.951 30 20 ICED COC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 433964772 MDGTXNFVBLDWCI-HXUWFJFHSA-N 436.534 0.653 30 20 ICED COCCC(=O)N1CCN(c2ccc(C#N)c(N3CCN(C(=O)CCOC)CC3)n2)CC1 436362675 ISUNKQGVSPIWHD-UHFFFAOYSA-N 444.536 0.323 30 20 ICED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 437383032 GBTRJUUVNVPWFV-KRWDZBQOSA-N 449.515 0.924 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1C#N 438251865 JEFJUYRQGFEGFY-UHFFFAOYSA-N 429.466 0.137 30 20 ICED C=CCN1C(=O)c2ccc(-c3nc(CC(=O)NCCN4CCOCC4)no3)cc2C1=O 445286450 YVRXSVLURXWNJR-UHFFFAOYSA-N 425.445 0.510 30 20 ICED N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1Cc1ccccc1 463737957 URGNLPFIFDTZJV-GOSISDBHSA-N 426.498 0.796 30 20 ICED CN(c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 466952633 BRTSSPUDKAPGQI-UHFFFAOYSA-N 442.501 0.636 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 467229284 KURHOSKYVCNGDJ-GTJPDFRWSA-N 436.428 0.407 30 20 ICED Cc1cc(NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n(-c2ncccn2)n1 467600118 KDLZOYMQIAKSMC-FPTDNZKUSA-N 442.439 0.781 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)c1C#N 472071971 CMIFKZBGFMPLIO-INIZCTEOSA-N 425.497 0.361 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 472981712 WEODYPHFINZBIB-SFHVURJKSA-N 441.467 0.973 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 476075808 UHRSFJCRFKKUGN-BETUJISGSA-N 429.485 0.450 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)c1C#N 476453144 BPGBSIWXFWZJCV-UHFFFAOYSA-N 429.525 0.204 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O 490460237 VMSGZIGNJWWYCW-CQSZACIVSA-N 431.312 0.861 30 20 ICED CC[C@@H](C)N(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 499788140 ZEXZBTBIAWZJDN-MRXNPFEDSA-N 436.534 0.665 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 501499073 CYZIGIHVEZBWCN-LLVKDONJSA-N 434.440 0.811 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1=O 505109570 KFNDATGQPBQBBA-LJQANCHMSA-N 426.517 0.900 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 506479872 ZIUPUBMTDOWAPG-CQSZACIVSA-N 436.490 0.094 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)N4CC(=O)N(C)C)CC2)c1C#N 510457144 GTZYHEGYLTWBNA-AYHJJNSGSA-N 442.568 0.515 30 20 ICED CC(C)N(CCCNC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513979272 AKQRWBADHQMITJ-HRAATJIYSA-N 447.561 0.508 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC(F)(F)F)CC2)cc1 521405718 VJTYHPBBJWBPCQ-UHFFFAOYSA-N 433.412 0.253 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCO3)c1=O 523465379 LJBHUKIDNSHBCQ-UHFFFAOYSA-N 427.482 0.457 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1CC(N)=O 532286831 IQEFSKMTFXIKLW-UHFFFAOYSA-N 426.542 0.623 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCCO2)c1=O 536086194 GDZQHJJWACOEJW-QGZVFWFLSA-N 441.557 0.774 30 20 ICED CN(C)CCOc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccn1 536509226 LKOHQXXTYBAZCA-UHFFFAOYSA-N 431.518 0.831 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 542940715 ISNHVRVFPDYAAM-UHFFFAOYSA-N 445.482 0.943 30 20 ICED C[C@@H](C(=O)N[C@H](C)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 543073688 CSZHVDYMVLIICQ-OWCLPIDISA-N 446.475 0.973 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CN3CCCC3)cc2)CC1 550544747 VCKFWEBJHMJAIY-UHFFFAOYSA-N 427.549 0.345 30 20 ICED C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 550592364 XJOPIBUJRKZFKL-YJBOKZPZSA-N 434.518 0.388 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 564490670 SSBTVGODEPZNTC-UHFFFAOYSA-N 430.461 0.847 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 573609477 FATLPZFVHOUSSC-UHFFFAOYSA-N 437.459 0.557 30 20 ICED CCOC1CC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)(N2CCOCC2)C1 573769858 WGAWKVDLFJPKIJ-UHFFFAOYSA-N 436.534 0.223 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 574681169 OFAODQXZMJFQCO-UHFFFAOYSA-N 447.561 0.430 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1 606141672 PORBXGAKJSAERV-KRWDZBQOSA-N 425.507 0.335 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(=O)N(C)C 609450608 MWZNPFCTWCRCRU-UHFFFAOYSA-N 444.532 0.865 30 20 ICED Cc1cc(C)n(C[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 609530287 ITYXEVRQBUIJRY-SFHVURJKSA-N 431.518 0.920 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 611409216 QTPZLSPVKHFQEU-MOPGFXCFSA-N 437.541 0.548 30 20 ICED CCn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 611609261 UXJPKNJFABUPEA-UHFFFAOYSA-N 435.419 0.983 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 729008930 KWHMZQCPEVWVCR-UHFFFAOYSA-N 438.465 0.624 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=O 732526441 FDEXLOYOCNUKPL-UHFFFAOYSA-N 427.505 0.470 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)cnc21 734586935 KHLXFSQPLDBTOU-ZDUSSCGKSA-N 445.233 0.534 30 20 ICED COCCN1C(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCS4)cc2S1(=O)=O 735635710 PYRAVOIVIPELBL-UHFFFAOYSA-N 433.471 0.904 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 739121423 NGUBPDDHENZWBM-PEZYZRJDSA-N 449.533 0.598 30 20 ICED C[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1c1cnn(C)c1 742907417 AYPCCDGAXGMKMA-CJNGLKHVSA-N 444.517 0.549 30 20 ICED C#CCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 743972581 QQGUVTWQWKJYEO-UHFFFAOYSA-N 428.461 0.829 30 20 ICED C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccccc1C#N 753653584 JJWWIGXZMLKXMK-JSGCOSHPSA-N 432.458 0.594 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758554454 XXQRNJFNIZTLGD-UHFFFAOYSA-N 441.557 0.581 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 767422757 LCZCZDBRGKQLQM-UHFFFAOYSA-N 430.486 0.874 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 773949258 VJQKQGHNALRQAE-QGZVFWFLSA-N 434.500 0.787 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 787757559 UCDCBTNFOLNECH-UHFFFAOYSA-N 428.478 0.210 30 20 ICED COC(=O)[C@@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(C#N)cc1 789121090 XASCKVKFEDDGFO-MGPUTAFESA-N 429.429 0.931 30 20 ICED N#C[C@H](C(=O)Cc1ccc(I)cc1)C(=O)N1CCS(=O)(=O)CC1 793145627 XJZLKHBMSSHCPY-CYBMUJFWSA-N 446.266 0.800 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CCN1C1CC1 806896716 KKAKBNPBOSKNBV-SOLBZPMBSA-N 437.500 0.221 30 20 ICED COc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1[C@]1(C)NC(=O)NC1=O 917896835 JROACKNEUKMJQQ-IBGZPJMESA-N 444.473 0.407 30 20 ICED CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918285731 NTOOOTOHNXRVGH-HEHNFIMWSA-N 435.506 0.129 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 1128962742 SIDFDKPVYPIWTI-UHFFFAOYSA-N 437.522 0.435 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 1210949942 MRGRJHCFZFVDTA-ZBFHGGJFSA-N 436.538 0.910 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1302585486 ORJVUMDXOXCBFT-MRXNPFEDSA-N 447.492 0.511 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315737000 XMMGEFAHVBHWEM-NUEKZKHPSA-N 426.543 0.680 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1320164546 KGDAQLGUWTVXMC-UHFFFAOYSA-N 431.489 0.899 30 20 ICED CS(=O)(=O)C[C@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](CS(C)(=O)=O)C3)n2)C1 1324330128 HNYRLRKAPHMLCI-LSDHHAIUSA-N 426.564 0.695 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCCO1 1341193764 XOSMZAXIVQREDI-MRXNPFEDSA-N 427.530 0.501 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359150990 KFFPAZQYNXVSTF-ZDUSSCGKSA-N 439.929 0.519 30 20 ICED 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C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(O)cc2)CC1 1793024050 IAJOHGHOZXSBOA-TXFQXBMRSA-N 439.512 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793346033 XKPLWCPBHHOECM-XCRNZQRYSA-N 425.485 0.737 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C)n1 1793908068 TYMWHDSYEADULV-RKHDGKPRSA-N 426.517 0.771 30 20 ICED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795462488 WBJSKLITKKRYHW-GNXNZQSNSA-N 439.394 0.263 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c(C(F)(F)F)n1 1795889767 OZXFFVPIKZJXOX-DRXBFXEBSA-N 449.393 0.467 30 20 ICED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)cnn2c1 1797420243 LRMGUIGEQSZMDX-HCNGMSMZSA-N 436.472 0.953 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)ON=C(C)C)C2 1798475092 UCMXWJKUQMHNFT-LKIBZCMFSA-N 425.482 0.920 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798522530 WEZXZOJTOLDYJV-YAMFKCPCSA-N 440.504 0.807 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)c1 1798693402 UXKSFVHDNQAITF-JLVBRIDZSA-N 443.485 0.202 30 20 ICED CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1 1798752200 VPDQFTCRWIDMOE-TYGXFAMMSA-N 447.492 0.608 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)CCNCC2 1801307989 PCQTZHVKMAUBDQ-HMZPEHQJSA-N 437.544 0.880 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801372515 GBHBXHCAVBDEHD-YRWYUPRASA-N 433.509 0.638 30 20 ICED 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(COC)CC1)C2 1802124801 KJQZIXZGJXNCBT-XMTFNYHQSA-N 449.548 0.919 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803557138 XTXPTOHIZSQGQR-ABSDTBQOSA-N 443.504 0.668 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804353966 MGNBCKWVADXCBW-QWFCFKBJSA-N 446.467 0.871 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1807194601 SUHFIRFLADYCBE-DYXWJJEUSA-N 434.500 0.866 30 20 ICED NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1808261754 OCTPLEHPKCSRPR-QMDRAINUSA-N 427.530 0.874 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810347450 FWTBJDIRGHHGOC-GZHDQSLTSA-N 432.521 0.329 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3NC(=O)C4=O)sc2C1 1819349572 LMNDVFONGGZTQM-SECBINFHSA-N 438.421 0.592 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824542155 SWOWWUZHRVZSLI-UYAOXDASSA-N 429.627 0.847 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674787 FSUUYBAUNPDRJF-JSGCOSHPSA-N 440.481 0.962 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)cc1 1829900474 FRGIJYNKVZBDAQ-HSZRJFAPSA-N 436.468 0.972 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902112 HRECUIRUHMHQCC-JWNTYJGQSA-N 428.533 0.931 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCOCC4)C3)C2)cc1 1829902724 ZELYVZDNLDLAEI-QHCPKHFHSA-N 427.501 0.984 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056765 RVWNTTOPZHXNSR-NRFANRHFSA-N 426.477 0.658 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831393565 YAFKZUMNKKXHQI-VFNWGFHPSA-N 428.445 0.331 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1831396500 NCNBTLUHKSKKOZ-VBKZILBWSA-N 439.871 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCOCC=C)CCO2 1831404011 HEVYVFSAKZAGCS-RHVSLNNASA-N 435.521 0.284 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831419456 MBPAVEJYCIZNRV-YLJYHZDGSA-N 427.567 0.083 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831453633 AQHFUMXUDKRWAL-PGRDOPGGSA-N 448.541 0.175 30 20 ICED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccco1 1832664299 PDADSFCWFOLCDJ-HWIIHTTPSA-N 449.460 0.448 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3nnc(C)o3)CC2)CC1 1833076008 KLXXGAXRZJIWJB-PLNGDYQASA-N 444.536 0.351 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833433567 FNRGYQTYFASDQL-VGOFRKELSA-N 448.520 0.518 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cnn1C 1834424879 LTWZEJJJIIXGQY-GWJNGDFSSA-N 432.525 0.270 30 20 ICED Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835677643 MCYYSPOBPOCBEV-BDNZGDGKSA-N 445.520 0.735 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1835681160 QSOCUDCMWBSYKI-AVRDEDQJSA-N 436.553 0.541 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)s1 1836076335 HLIBYRQQYRMONZ-FUHWJXTLSA-N 428.580 0.800 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1836152677 XXAKKLGTGJVJMO-IIBYNOLFSA-N 439.476 0.070 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)C1 1836334125 WTNKMBGZOUOSHP-WZONZLPQSA-N 446.548 0.727 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836966579 DYCXAADWSFSLKK-YLJYHZDGSA-N 438.550 0.690 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837375180 NRNPHLWCZUBALT-VGOFRKELSA-N 436.553 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1837402386 AWXWGFRKVSQSNQ-CKJXQJPGSA-N 442.509 0.578 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C1 1837674628 HUSZIEADKVPPBQ-HOIFWPIMSA-N 439.553 0.321 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccn(C(F)F)c4=O)CCO3)C2)CC1 1837769699 BRBBBJMYHONAEP-FQEVSTJZSA-N 436.415 0.617 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)nc5sccn45)CCO3)C2)C1 1838414745 KUBZXEIKNVJRAU-OAQYLSRUSA-N 444.513 0.792 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccon4)C3)C2)c1 1838580549 JFNILRAXQAAIPU-NRFANRHFSA-N 426.429 0.939 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838740456 LXMPJHWYBVNACX-FQEVSTJZSA-N 430.461 0.300 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1 1838761717 LRRFXRNLXVGFFI-OAQYLSRUSA-N 430.509 0.797 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949288 VPNNEQASFUORLD-XBKFQHLESA-N 438.484 0.487 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839174765 VWTSIHGFVANLSR-LJQANCHMSA-N 438.506 0.305 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1839229067 YNXQBIVIUSWKEJ-GQANSBOFSA-N 431.493 0.747 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1839476527 SEECWWXJUJQXQF-LJQANCHMSA-N 439.465 0.213 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(C)c34)CCO2)C1 1839610538 QEAPEKHMDPUDLT-MBSDFSHPSA-N 440.500 0.751 30 20 ICED CC(C)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840002483 UWXXMHFDLHPUEU-QHCPKHFHSA-N 428.485 0.897 30 20 ICED COC(=O)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)Cc1ccccc1 1840083122 IHOAKOPALCSFFX-JOCHJYFZSA-N 444.488 0.625 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103446 BMXAUJVEHXYDOU-ICSRJNTNSA-N 427.567 0.410 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840161566 TZTZLQMPWHJKBQ-JLTOFOAXSA-N 443.566 0.628 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)CCO2 1840945824 IBYREKVNRBWVCG-LJQANCHMSA-N 425.457 0.035 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302325 PGUOPNVEYCZARN-CRJUJDDESA-N 443.504 0.932 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1 1844725391 MHIBVFGFTAFIEV-AWEZNQCLSA-N 434.518 0.712 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)C[C@H](C)C#N 409579099 VVUPEIAJMFMDLI-WBVHZDCISA-N 426.539 0.501 30 20 ICED C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@]1=O 429571197 CUFXUUADWOQTEL-WVDZOPJMSA-N 438.575 0.234 30 20 ICED C[C@@H](O)CN(C)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 439992702 JVSJEONLJMFCCB-CQSZACIVSA-N 428.468 1.125 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1-n1cnnn1 441698002 HWSGTAOQQDGIHL-UHFFFAOYSA-N 433.432 0.225 30 20 ICED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 446055312 RWQOCDAGLLLHKG-GJZGRUSLSA-N 444.521 0.838 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccc(-n2cncn2)c1 460611003 ZLZNVVHGQVNUSL-UHFFFAOYSA-N 427.428 1.283 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 468288201 URTQIBQKAZGELL-HNNXBMFYSA-N 431.474 0.066 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 471789879 RMWQAZQYPYMSBY-UHFFFAOYSA-N 437.459 0.557 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 478862949 XUJIERJWJPPTNQ-CABCVRRESA-N 439.493 0.910 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CCN(C)CC1 479384254 DWEVJJBDIMSTHS-UHFFFAOYSA-N 441.557 0.609 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cn1C 486139241 UDTXVYPNNUBMCZ-GOSISDBHSA-N 428.518 0.712 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C)cc1Br 508338003 FGEUBGFEAHXDAD-UHFFFAOYSA-N 435.238 0.762 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 509447848 LPWSOBJTIJZZRR-ZDUSSCGKSA-N 431.496 0.380 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CC)c1=O 512771134 JMALVVHRCRSUNT-UHFFFAOYSA-N 429.546 0.678 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 517958935 KHSKBZPOJAKARV-UHFFFAOYSA-N 444.473 0.879 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 518671025 PATJUVLUDSNOBC-UHFFFAOYSA-N 431.518 0.828 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)n2)cc1 543250082 FKVJIPDWFOVZEQ-SFHVURJKSA-N 444.455 0.843 30 20 ICED COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 550374433 OCFLMJYXPBTKDI-UHFFFAOYSA-N 426.477 0.582 30 20 ICED COCCOCCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 550531422 ADBCNTLJLPDBIN-UHFFFAOYSA-N 431.449 0.624 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 556365583 YSWAYPYULWTXTJ-RBUKOAKNSA-N 447.499 0.351 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 604527161 UYAPTRKPHALNRS-UHFFFAOYSA-N 444.473 0.358 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606029380 BWRICVZHLDTRBV-UHFFFAOYSA-N 426.498 0.960 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727162956 DCETWIJCHGHZQG-UHFFFAOYSA-N 428.905 0.710 30 20 ICED N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 728515418 BXZYFKVTNJVMOT-MRXNPFEDSA-N 443.572 0.311 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCCn3ncc(C#N)c3N)c2)C[C@H](C)O1 729806873 OPQZKVPXGJEPOK-KBPBESRZSA-N 433.490 0.992 30 20 ICED C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 731111883 OMNAWUVUVCNLTP-UHFFFAOYSA-N 432.458 0.929 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)cc1 744572337 OKCPIRMMGTXRIE-UHFFFAOYSA-N 434.474 0.900 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cn1 751922816 GEERTLALNYOFCR-HIFRSBDPSA-N 437.570 0.427 30 20 ICED COC(=O)C[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752747557 MWKYMQVVLJSTMS-ZBFHGGJFSA-N 437.518 0.930 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2[N+](=O)[O-])c1=O 758066810 CSWMOYIBUMPNGD-UHFFFAOYSA-N 447.270 0.463 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1-c1ccc(OC)nc1 760385220 NPEXYHWOVBYYEU-UHFFFAOYSA-N 441.900 0.909 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(Cc3ccon3)c2=O)cn1 765146978 ZFJSFEBSUNKGEB-UHFFFAOYSA-N 447.480 0.699 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCS1(=O)=O 766355496 SYJTZAUUCPCZNG-CQSZACIVSA-N 427.548 0.979 30 20 ICED CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)C 772535812 UMPXAYMQZOACEJ-PFRBSUFTSA-N 437.522 0.325 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H]1CCCO1 775790273 HSAZIQNQVQOMJK-VQTJNVASSA-N 433.530 0.493 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)S/C1=N/CCc1ccccn1 783007351 GLVRRCWSBXYBAB-QGEJRGBOSA-N 431.440 0.739 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)NC3(C#N)CCC3)CC2)cc1 784228869 QAWTUJKXMIKYQA-UHFFFAOYSA-N 434.518 0.407 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 784850092 YNPJWSRKZPMLAZ-OAHLLOKOSA-N 434.518 0.384 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 785966771 LYAMVUCDTMPFMF-OALUTQOASA-N 433.530 0.561 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 787776309 HHEDAEKUTIBADO-SFHVURJKSA-N 449.515 0.499 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 790190531 UDGOOLGCVLTDCO-UHFFFAOYSA-N 443.909 0.191 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccsc1 790434414 QPEGMWQINUXTJU-UHFFFAOYSA-N 430.536 0.779 30 20 ICED Cc1nc2ccc(Br)cn2c1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714751 RFVSDAUOSOWDOV-LBPRGKRZSA-N 439.291 0.985 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2occc2COc2cccc(C#N)c2)CC1 813949778 CRDYFPVEHRMGMS-UHFFFAOYSA-N 432.458 0.869 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 914819209 NPOZWVRMEPXHRI-ZFWWWQNUSA-N 433.490 0.385 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCOCC1)c1nnc(N2CCOCC2)n1-c1ccccc1 917504822 QTESGMAWBVOBFJ-SFHVURJKSA-N 438.488 0.919 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 917930934 NETLCQFWHMCCDN-DZGCQCFKSA-N 442.515 0.488 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1 918432173 WWPNIJOXUURBGU-IHLBYEDJSA-N 449.533 0.552 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(O)cc1 1288861970 GKDYZFDGKSULLS-PBHICJAKSA-N 445.549 0.819 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCNC(=O)C2CC2)cc1 1303000561 PVGSSKSYSPNCTP-UHFFFAOYSA-N 428.518 0.824 30 20 ICED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1316348991 RTZXQPMWLAOCBF-MRXNPFEDSA-N 430.490 0.892 30 20 ICED C=CCN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1321897463 CTPDIYHVTGFKAP-CQSZACIVSA-N 425.532 0.783 30 20 ICED CN(C)CCOc1ccccc1N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1444316647 IKFLKDOMOBEEID-UHFFFAOYSA-N 426.477 0.110 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1541804457 WLWQRIJPDYADSY-DZGCQCFKSA-N 429.568 0.743 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC 1547600708 LFLJLXPHSTZVSB-UHFFFAOYSA-N 440.551 0.237 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1617793504 LCIDKLCJFYHHQL-UHFFFAOYSA-N 437.504 0.638 30 20 ICED CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CCN2C1=O 1618462439 LWMLPJNVENGEDW-HNNXBMFYSA-N 444.446 0.754 30 20 ICED CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1731044701 YXJOAVOAUWRCND-XJKCOSOUSA-N 432.547 0.804 30 20 ICED CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1741086324 PYBDJAGVIDNNTI-UHFFFAOYSA-N 437.504 0.780 30 20 ICED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1760362393 JKMKJWUNXZRACQ-RDJZCZTQSA-N 448.549 0.553 30 20 ICED N[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1cccnc1 1779064247 CFLIBMCEHOHPGF-RDPSFJRHSA-N 440.544 1.000 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779077096 WDJWEBTZGFNEJB-YJBOKZPZSA-N 432.420 0.523 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)no1 1779431753 DTLSNOVPFLGESQ-XMSQKQJNSA-N 428.489 0.640 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1780806644 BZDIYLPEFIUQFT-WOCWXWTJSA-N 443.566 0.878 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963232 DVKKGXFTXRZOLG-UZLBHIALSA-N 434.424 0.205 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3ccnc3)C[C@@H]21 1783533083 OLNXYVKXGXUWDK-KDUWDWFMSA-N 429.521 0.357 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)(C1)C2 1783564729 FDOBZGKEQGXEHC-HRTMPFAESA-N 447.488 0.352 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012591 ZAHASSGKNXCXGP-FCHUYYIVSA-N 435.521 0.602 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)c1=O 1784731318 BGNQFMAWPIFKCX-SZMVWBNQSA-N 429.521 0.260 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cc1O 1785376708 ZBGOGZQJBPXIIF-NRFANRHFSA-N 425.445 0.520 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1785684297 KEJDOCUBCHZNLC-ZVZYQTTQSA-N 446.529 0.523 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652303 BHIGUKHENQRFLP-WWCQJWTPSA-N 438.525 0.410 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)CN1 1790856361 KRGUQORUULMELP-CAMMJAKZSA-N 429.904 0.807 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1791446258 NOSAMXCLVZHJLP-BZSNNMDCSA-N 430.505 0.431 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1792635793 LHGQQAMLQRAFCQ-CWPLJXCYSA-N 436.468 0.869 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1793340975 XLUBKJXHSVAFOY-BCEDRHLLSA-N 433.436 0.904 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1793821007 IABYSCKIKATMFQ-GGUBGCTKSA-N 426.564 0.298 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(=O)OC(C)C 1794313419 HTTDMFSAIBAURR-BMFAXAFESA-N 443.500 0.888 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](N)c3ccccn3)c2c1 1795614356 LLNAXKBWTWLQMU-HRYATBACSA-N 445.483 0.733 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOC2=O)c1 1797169610 PRDLNXKGMCUOPW-CCWDJLKJSA-N 430.436 0.743 30 20 ICED Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1F 1797781618 XGMITVAAKGAVBF-HGKCTWBKSA-N 432.496 0.769 30 20 ICED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)N1CCN(C)CC1 1798497196 SORGQTRKQQQVII-HTUPSXPOSA-N 435.569 0.790 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)c(C#N)c1 1799238749 YRBAAPAOWXAKOB-VPTLXERWSA-N 440.456 0.493 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)c1 1801297804 FCJYRCKFUHOZNU-XEMDLRDOSA-N 440.529 0.991 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804353583 KPQMDONMORIBNN-HBFSDRIKSA-N 446.467 0.871 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1807192036 MSJVJIFQTQEHDH-VIZSFHNOSA-N 433.512 0.732 30 20 ICED O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1807610874 CVJUVCMLFIWXDS-NQIIRXRSSA-N 437.504 0.473 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H](NC)C(=O)O)CC2 1822922645 XVDLHVNUNRKCAK-WCQYABFASA-N 438.506 0.627 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828524650 CQCORFWRNVKVQB-JLTOFOAXSA-N 437.518 0.068 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829628886 YRKPKONGOSNDCV-HXOBKFHXSA-N 442.516 0.459 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829918959 KFPPODSFIHWWPH-AUSIDOKSSA-N 434.533 0.711 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830299839 CSIIQZZJEYLPRP-BTYIYWSLSA-N 436.509 0.660 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831222949 LVTMAAHGHDCIIK-JOCHJYFZSA-N 447.532 0.914 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831427976 WOTNNSVVEJNFND-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1831437318 BSTUHZFXGDFTTF-DRSNIGMVSA-N 432.521 0.562 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1)C(C)(C)C 1831481956 BZVWDNKGYKOLIO-FVJLSDCUSA-N 443.610 0.948 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1831488605 XXTMWAUDMKZOGT-SLYNCCJLSA-N 436.578 0.882 30 20 ICED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833144639 JJILIOYUHSZLHJ-UHFFFAOYSA-N 429.525 0.343 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1 1833465538 IXVJDJNJVLVBCF-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833845528 ABXPMRDBDVYDNP-ZHRRBRCNSA-N 438.488 0.826 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c(F)cccc34)CC2)CC1 1835599516 OGMQAHNMWMAAQZ-UHFFFAOYSA-N 441.463 0.975 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677432 IHOXIGKRQOYFCO-OAQYLSRUSA-N 430.509 0.137 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835678012 UPRYFDSFCIXMAK-VGOFRKELSA-N 436.553 0.298 30 20 ICED Cc1nc2ccncc2cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836842155 WRLOLJUOYUDSLJ-QFIPXVFZSA-N 438.440 0.096 30 20 ICED Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837231979 BOGDOGZVKPCQJF-XQNSMLJCSA-N 431.541 0.899 30 20 ICED Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1837555802 ZGFVLZYKPWUBIJ-LBBTYXALSA-N 445.520 0.924 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837560413 PRXUMQHFIOCXBM-XMHVBLFMSA-N 432.521 0.497 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837694804 PEJSFEFBBTYNJU-JPYJTQIMSA-N 425.485 0.185 30 20 ICED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1)C(=O)O 1837886226 SFJQJMTYRLYXGE-QAPCUYQASA-N 440.541 0.849 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)c2n1 1838488957 DLFWBLJBMORCAG-XCLFUZPHSA-N 434.518 0.960 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc4ccc(F)cn4n3)CC2)CC1 1838717089 PBKMDLFBDJDGPR-UHFFFAOYSA-N 443.435 0.569 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](N)c4cccnc4)C3)C2)c1 1838735911 BBLFPNLENANPCM-XMSQKQJNSA-N 438.488 0.441 30 20 ICED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740026 DLIKHMHDMXOARK-VGOFRKELSA-N 431.537 0.934 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)c1cccc(Cl)c1 1839043037 BWFHIISNUSODBG-TZIWHRDSSA-N 448.907 0.887 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCCN1 1839122355 LBJDVVONFPVMKG-YNXNAODTSA-N 438.525 0.114 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c(C#N)c1 1839131060 JWEVJZQPTGNEHZ-JTHBVZDNSA-N 445.516 0.583 30 20 ICED COC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839246645 UQHQEAQRIQCHNW-OAQYLSRUSA-N 445.428 0.023 30 20 ICED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)COC1 1839780038 XBHRKJKMEAUYOC-HSZRJFAPSA-N 443.500 0.820 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839885834 URUCAVYPJWAFIY-NRFANRHFSA-N 432.452 0.294 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985935 AVBSEQYTHFSDII-KKSFZXQISA-N 439.509 0.006 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1840042645 GLIMECZUMPGRNU-NJNPRVFISA-N 446.887 0.988 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1840044098 KXWHBPZHJVHXRR-JOCHJYFZSA-N 426.469 0.653 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2c[nH]nc12 1840044470 JKNVFJPGUFQUSD-NRFANRHFSA-N 426.429 0.029 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCc3cccnc3)CCO2)C1 1840510294 VAPAINYBOYRBPJ-CVDCTZTESA-N 429.517 0.899 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840532343 NYCQWIBLENESAW-REWPJTCUSA-N 427.501 0.984 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)CCC#N)C2)C(C)C 1845248208 KQOSLVFGCWNMPT-WMZOPIPTSA-N 447.536 0.865 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846160030 IEVNWDNEJNRUEQ-VFNWGFHPSA-N 431.489 0.925 30 20 ICED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196596 RVUDMYHQMQMGHZ-UHFFFAOYSA-N 439.877 0.617 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnc2[nH]cnc12 60841788 XXPJMLLDJFRBBP-UHFFFAOYSA-N 440.489 0.194 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 410161587 LDWGMLRJNMSJAQ-ZIAGYGMSSA-N 426.461 0.968 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 430394615 PAAPGSZXXCBPSO-JTJHWIPRSA-N 434.581 0.733 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447411230 BDBDTGKJQVONPI-OAHLLOKOSA-N 436.451 1.340 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)ccc1C 464863581 VTOOPBJUOPEEAQ-OAHLLOKOSA-N 443.533 0.714 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 475267627 XQMBTEFQAIFGFK-CALCHBBNSA-N 446.552 0.614 30 20 ICED C=CCN1CCC(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 481064993 VVFRIXAULHUSNN-UHFFFAOYSA-N 443.591 0.945 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n(C)c1 487133528 XUEQXSHIVGZTPQ-ZUOKHONESA-N 427.486 0.761 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 495384437 DRBNHFAOLKJBOQ-SFHVURJKSA-N 435.488 0.909 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C2=O)cn1 498681338 DQXGNRVOVSWIJJ-AWEZNQCLSA-N 431.250 0.914 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c(F)c1 504915076 QQFBQBSXUYXWOH-HZPDHXFCSA-N 434.493 0.382 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513289574 PYRMGECGGDGRNB-DOMZBBRYSA-N 448.480 0.656 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O 513498327 HDGUUJGMBYOQCA-CJNGLKHVSA-N 430.436 0.971 30 20 ICED CC(C)COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 518550287 TVMFQGJPFRQNJU-UHFFFAOYSA-N 440.525 0.212 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 519577950 IMTSOEVDYHFFMU-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C[C@@]1(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 523561741 YCQLGQUDNVMUJW-NRFANRHFSA-N 440.481 0.844 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1 524494374 ACVZWFIRTLPJRB-UHFFFAOYSA-N 437.610 0.750 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(=O)NC(=O)C34CCCCC4)n2)cc1 526105284 ACGIBJZORJOZPP-UHFFFAOYSA-N 435.444 0.324 30 20 ICED C=CCN(CC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N)[C@@H]1CCS(=O)(=O)C1 532718336 MEYSGDUILFJRNW-CQSZACIVSA-N 441.554 0.359 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(Cl)cc2F)n(CC(N)=O)c1=O 536897841 SRIMXWJDOHOTMD-UHFFFAOYSA-N 445.863 0.307 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)C1=O 540472850 ODRBRCFUTJQDBM-ZDUSSCGKSA-N 437.250 0.411 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1=O 550904652 ANRHDMYYTNSGQK-NUJGCVRESA-N 429.521 0.557 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 551066641 OQSRRQCUQMEASI-OAHLLOKOSA-N 429.458 0.528 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[S@](=O)C[C@@H]3c3cnn(C)c3)CC2)o1 553919650 XCUMVAWFEPQACO-ZQHDKMAOSA-N 431.522 0.042 30 20 ICED Cc1cc(C#N)cnc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 558860187 QQGANEABKXKNPP-OAHLLOKOSA-N 434.499 0.979 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 576509023 PWBVQBSIQHBDRJ-CTNGQTDRSA-N 442.541 0.836 30 20 ICED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 579983266 LSTSYKSMMJDBSS-JSGCOSHPSA-N 430.552 0.539 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@]2(C#N)CCSC2)c1OC 603671027 SPINWMXNSFRMIC-GOSISDBHSA-N 441.531 0.854 30 20 ICED CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)ccc1F 610149223 VDOCTUZXQAKRMB-UHFFFAOYSA-N 439.513 0.945 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccc(C#N)o2)c1=O 610358260 WUOVXQPRXIYLRK-UHFFFAOYSA-N 447.476 0.604 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n(C)c1 611510098 OEOVXIRPMYNSET-UHFFFAOYSA-N 432.506 0.975 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O 623212447 LCBGNKJLRBVQJM-UHFFFAOYSA-N 427.486 0.917 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C)cc3)c2=O)cn1 732562811 KEOPPYDQODEFOR-UHFFFAOYSA-N 449.536 0.786 30 20 ICED COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 737304940 DMEXPOBATXGBHL-ZCXUNETKSA-N 444.444 0.842 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1OC 741448500 ATLWIZFAWQVGLQ-MRXNPFEDSA-N 435.550 0.831 30 20 ICED Cn1ccc(N2CCC[C@H](OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 741829580 GVOBPMIDSYSHRW-HNNXBMFYSA-N 445.501 0.978 30 20 ICED Cc1c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 748428648 ORHACWQXMSSHMV-ZDUSSCGKSA-N 427.461 0.829 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c3cccnc23)c1=O 758049985 MGRQIDFZIONZCT-UHFFFAOYSA-N 436.468 0.496 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 761036463 GWDWFPZBAWPJNT-UHFFFAOYSA-N 444.557 0.892 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCOC)c2=O)n1 763298903 CJNFYMRAPQEEAX-CQSZACIVSA-N 446.529 0.004 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CCS(C)(=O)=O)c2=O)c1 763458272 OZTQBSKCVLEPBS-UHFFFAOYSA-N 447.582 0.945 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 769636786 JMOGBBUZXBIBLJ-UHFFFAOYSA-N 431.511 0.737 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@@H]1CCCO1 773797049 MOLLQCCJJURTRY-WMZOPIPTSA-N 435.502 0.251 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NCc1ccc(F)cc1F 786560261 ARRMWHRNNBGPAD-WYGQYTNYSA-N 431.395 0.842 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)n(C)c2n(C)c1=O 789491963 OGQCHYHTINLREX-LBPRGKRZSA-N 429.383 0.493 30 20 ICED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 792454002 YGULJOXTFIJXNZ-HNNXBMFYSA-N 437.518 0.963 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(Cl)nc1 795195918 QKDBTROWUIKVMB-UHFFFAOYSA-N 440.916 0.795 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@@H]3C#N)ccc2F)CC1 800933348 ODDWLEIZXXZIGQ-HNNXBMFYSA-N 440.522 0.760 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2cnn(C)n2)C1=O 814709341 ZXBSUSRUDHJBBE-OAHLLOKOSA-N 429.506 0.614 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2Cl)c1=O 838166259 FVNMCHLNVJXFON-ZDUSSCGKSA-N 435.933 0.864 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 914564987 OQQULPUIQJUAGT-OAHLLOKOSA-N 437.525 0.670 30 20 ICED N#Cc1cn(CC(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(=O)nc1O 1294885336 RUVZBRLIAINYLJ-GFCCVEGCSA-N 426.351 0.687 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1306245520 PLQCUHVFVJLUAL-GOSISDBHSA-N 435.492 0.706 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1318459042 JNXVKWRTMYRWER-QGZVFWFLSA-N 439.559 0.709 30 20 ICED N#Cc1ncn(CC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)n1 1340646643 GKFQXIINOFAAAQ-NSIKDUERSA-N 426.414 0.731 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1360602096 MGMLBIMZJTVGSC-RVKKMQEKSA-N 443.549 0.299 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCOC1 1497055955 LDCARCGEPFSPLX-UWJYYQICSA-N 431.541 0.524 30 20 ICED CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1510341769 WWANKKGFECOSIA-KXBFYZLASA-N 440.545 0.733 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1511973827 VMJLGOMMSUUIBY-CQSZACIVSA-N 433.476 0.637 30 20 ICED COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1519113630 XMRCYEJKLVTJJA-CRAIPNDOSA-N 428.534 0.590 30 20 ICED CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1540964956 SMUYPADJVLJFJD-UHFFFAOYSA-N 431.522 0.425 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1545146095 OPSNPNKFJTZANZ-IFXJQAMLSA-N 434.522 0.342 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618842121 ISLHZWAXQITVJJ-OAHLLOKOSA-N 433.513 0.810 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)CCO1 1620357425 WJKKXPSLUVRSPY-QGZVFWFLSA-N 439.476 0.042 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706870790 IJNUPKNXSKQWQK-MLGOLLRUSA-N 448.546 0.155 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1COCCO1 1727225306 OUSTVDDBSKAWMB-QZTJIDSGSA-N 431.541 0.788 30 20 ICED CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1769382315 QASCNLLSWHDAPF-RRFJBIMHSA-N 426.543 0.475 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778118092 VBLYWYACJGJWRR-GOSISDBHSA-N 449.520 0.699 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103171 NRWQNOFSBIKGHC-VCZBVJKFSA-N 429.539 0.504 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207057 SMCLTVNHSBGHMT-ZVLBRCSDSA-N 429.473 0.320 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779240402 FTRAMVRXSDZFQS-QVKFZJNVSA-N 446.556 0.115 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c(C#N)c1 1781176185 HXOYAIQMFXIQHQ-JOCHJYFZSA-N 428.489 0.465 30 20 ICED COc1cccc2c1C[C@@H](C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1782993943 OVNKLUSNLCRWHA-SBUREZEXSA-N 426.469 0.718 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046724 USCITSGYOHKFEH-RBZFKLARSA-N 441.550 0.111 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)CCO2 1783052573 AYWFRYWFNQCVOY-MPWIWIEXSA-N 433.505 0.474 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783195799 YGZWKZBSKCNNLI-KRWDZBQOSA-N 444.460 0.493 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(Br)cn1)CCO2 1783557897 RWVMVRDEWNUNOF-SFHVURJKSA-N 436.262 0.305 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568136 NPTJLGXLBWXUIP-UJUVCNOISA-N 447.488 0.374 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784514197 SPVYISPMNLKNRW-KNTRFNDTSA-N 447.557 0.761 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(F)nc3)[C@H]2C1 1785229955 KVPKIZZNZKIQHS-QHWWWDCYSA-N 444.507 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1786858416 USNNUYOMWRNTOK-IEZWGBDMSA-N 439.520 0.604 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1788652618 JLMVFGQKHOKNDW-XFARZBPLSA-N 436.509 0.021 30 20 ICED CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)C1 1788660239 CVQMYQOTDCLKLB-LIRWBVIASA-N 436.553 0.837 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n[nH]1 1788691806 PGRJYAFOZNPUSQ-LZLHDVMYSA-N 433.509 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1789892158 FIMJUGSNCIYPMB-IHRRRGAJSA-N 435.437 0.421 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526783 CHFMFRBYIVALKM-OTRWWLKZSA-N 429.452 0.500 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)[S@](=O)c1ccccc1 1790601036 SGLNMCITBYKLPK-UPPIGUOMSA-N 432.498 0.250 30 20 ICED 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)=O)C2 1793599939 LJFBCCIYHMDWQD-KYHPRHEASA-N 438.525 0.182 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794213296 CEKRESHDRVGRQF-FZKCQIBNSA-N 425.445 0.173 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405431 OYVSMIUHKKDAQU-CWPLJXCYSA-N 433.530 0.633 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cccc1=O 1794588160 QBEGCKZPUSJKPD-FAQVEIGNSA-N 436.468 0.539 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796423116 NCTHUSRWIQNKIR-IKKURHKOSA-N 428.580 0.333 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796423278 OZHRXBNBXSZPBW-AMVBZWJASA-N 426.564 0.298 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1797783064 BNRAKVVKGREYDQ-UPHUGPLXSA-N 443.500 0.298 30 20 ICED COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811664 RDCGIHIZHUFDTK-RFTGSIGZSA-N 432.477 0.822 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](N)c2ccccn2)C3)ccc1F 1799325782 SXVQHICWMRUCEF-WOSNLTMFSA-N 437.475 0.924 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1799396747 CWDDBQBBWCTUGM-CWLGOENISA-N 445.520 0.590 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799856182 KXOUYFCGWXHHFH-FVCICTRLSA-N 437.493 0.982 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1 1801764985 GXOQATKAPBVHMP-XUMLPFHTSA-N 426.473 0.969 30 20 ICED C#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)C2 1802125291 SAJWSTKALHTERP-FLXSYLCISA-N 437.537 0.510 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1802481167 HCMTYAHEMYSBQC-YLRDJVGTSA-N 430.534 0.572 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284014 JWKRZDGHIRJKGV-XCVJQRGISA-N 443.552 0.152 30 20 ICED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815654390 VZNIUSJWVFBNGV-CYBMUJFWSA-N 443.493 0.761 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829881365 ADVXPKWCONFWDT-HSZRJFAPSA-N 442.516 0.489 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830626716 UYBXAGMNEYGARE-AUSIDOKSSA-N 436.549 0.548 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831203102 ZETUUVBAKMSARI-DYESRHJHSA-N 440.541 0.550 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831391006 DACALRUYIJLOIF-JTSKRJEESA-N 430.505 0.256 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccc3)C2)C1 1831398929 NBCREVBZFIGXNN-PWHSHALESA-N 430.501 0.949 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831477780 DJHWXMJANJHIIG-QHCPKHFHSA-N 442.516 0.737 30 20 ICED COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n1 1831490832 MKUNJIDAPZQKKF-YLJYHZDGSA-N 440.566 0.554 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCC(CO)CC2)CCO3)c1 1832521980 QJJRMLOUGKNFDE-QRFVXNFXSA-N 430.505 0.755 30 20 ICED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)c(=O)[nH]c1C 1833939053 JZSWCLMJAYQYCU-UHFFFAOYSA-N 426.521 0.876 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)co1 1834208615 PMEZFZJBCDLSKJ-QFIPXVFZSA-N 431.489 0.752 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(C)c1)CCO2 1835036538 QDXIREYCFGEXJV-IBLIISRWSA-N 441.528 0.852 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835115210 XOVJRSVPBBVPOH-CVDCTZTESA-N 440.500 0.226 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1835840299 KLRFUPMJOSHRFP-OALUTQOASA-N 442.626 0.664 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1836856876 AMDMRXXSRRKNES-HXUWFJFHSA-N 448.608 0.661 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837527500 NSUADQMNAPJXAT-GWYVQQBTSA-N 446.504 0.610 30 20 ICED Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531284 HJQSNLWPVUDRIA-VRFIZVPASA-N 436.465 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837902105 GJYFUKTZZNESCY-IZRJCCQOSA-N 432.452 0.149 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)c(Cl)c1)CCO2 1837919015 XYJLZNNHWYZYJX-GOSISDBHSA-N 442.255 0.546 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838243304 UAWRYXLPPJWOBA-RMUOZIPVSA-N 432.452 0.149 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1839080482 XYBQESFGLLIWOW-KNLNXMFASA-N 442.516 0.106 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839223037 JPBRUSVQRZUECS-KKSFZXQISA-N 449.508 0.258 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839553986 KMWADCZCRQGPOP-JOCHJYFZSA-N 426.448 0.957 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1)C(F)(F)F 1839895171 NANPTHYPTMLBIK-LJQANCHMSA-N 441.406 0.974 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840291421 UVSCKLICRULFNE-YCRPNKLZSA-N 435.477 0.002 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840434612 GOQLJRLEMUKAEP-CTNGQTDRSA-N 438.594 0.990 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c(C#N)c1 1840537691 JUMILTHYFDKIBO-MBSDFSHPSA-N 443.500 0.602 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCSC3)CCO2)C1 1840862760 IPKLDYBMYCNZBH-DYESRHJHSA-N 438.594 0.868 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)n(C)n1 1848331134 ZDFRPFCZVKSTBS-KBMXLJTQSA-N 431.493 0.858 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 16559344 QQNAAPOWPPULNF-LLVKDONJSA-N 435.483 0.943 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 18447215 MPRUEECOCJCHPB-DZGCQCFKSA-N 444.531 0.342 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 105168497 PEIBUMGXWIXMOF-UHFFFAOYSA-N 447.517 0.420 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccn(CC)c2=O)cc1 435310100 LPNIZEHPUOAEMI-UHFFFAOYSA-N 432.502 0.930 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 440923537 JQYVNMYMZJUCJJ-UHFFFAOYSA-N 445.339 0.785 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cn1 460736208 OQOMNOJYBOXYBY-INIZCTEOSA-N 439.501 0.644 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 467150835 JPPXSRKJPHBZJW-UHFFFAOYSA-N 434.424 0.887 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472111682 ZBDABYIXCQOOLF-UHFFFAOYSA-N 437.570 0.636 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)nc1 474331143 RCBGENFSNDLHGM-UHFFFAOYSA-N 447.520 0.729 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 480807220 VXANHTPABDGACF-ZFWWWQNUSA-N 428.536 0.013 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N1CC(C)(C#N)C1)c(=O)n2Cc1ccccc1 482629046 MARGAJNPNYXNTK-UHFFFAOYSA-N 436.472 0.426 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1 489026681 QHXJVFRMELDBNF-DZGCQCFKSA-N 442.493 0.496 30 20 ICED CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 491310085 NPHLBCUNIAQISH-UHFFFAOYSA-N 435.531 0.762 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](C)S(N)(=O)=O)nnc12 507710625 WXUPTBXHURYBPT-NSHDSACASA-N 436.519 0.116 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@@H](C(N)=O)C1 508818967 VPDBQOCESFHDOD-GOSISDBHSA-N 439.520 0.113 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 511901720 QSEPCWMVEJUYBR-UHFFFAOYSA-N 428.276 0.866 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n(C)c1=O 517860608 QHCNJQBYIISAGT-UHFFFAOYSA-N 436.472 0.765 30 20 ICED C=CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 521492765 DYGHTJSBGZJKRT-LJQANCHMSA-N 442.516 0.340 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2F)c1=O 522284243 XJYIPJYEUBSCJC-CQSZACIVSA-N 433.505 0.740 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2ccccn2)c1=O 523860990 PJEXNGSSUWWYRB-UHFFFAOYSA-N 434.525 0.406 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1Cc1ccon1 531683757 GPILNLXXOQAECH-UHFFFAOYSA-N 449.492 0.878 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533061018 PLMSMZIERYYCLG-RYQLBKOJSA-N 427.592 0.739 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1 538030727 RVJTWFDHZYSJCT-CALCHBBNSA-N 443.552 0.923 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 542800316 VUXVSMWIPXOIPT-QGZVFWFLSA-N 434.499 0.680 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(O)CCN(C)C3)nnc12 547277912 HJXRIWXUBBVDSM-HXUWFJFHSA-N 428.518 0.505 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 550808588 YEMBNWLZLOQIRB-UHFFFAOYSA-N 427.505 0.255 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 555254663 UGZFRFWNVQHZFD-QGZVFWFLSA-N 438.598 0.747 30 20 ICED N#CC1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 558334156 FUCMYNQUWWQJNB-KRWDZBQOSA-N 427.509 0.160 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 559626625 SSYMIASYFZZSSH-UHFFFAOYSA-N 427.486 0.322 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 559986740 NENQMQCNVNMNCZ-YJBOKZPZSA-N 435.440 0.473 30 20 ICED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 563484503 BWCPNBYNLFBVES-UHFFFAOYSA-N 447.584 0.753 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 565125352 AOVYCQQMVNEUNF-DOTOQJQBSA-N 441.550 0.706 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 568558911 LMKXIJNLNUDYGM-GOSISDBHSA-N 442.564 0.170 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 569973784 QWUXALZMBMJADJ-CYBMUJFWSA-N 436.515 0.622 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C1=O 575781587 IXFYSDKEUJJFBP-QGZVFWFLSA-N 434.518 0.088 30 20 ICED CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 578692853 JEPFHLZQULRKIH-IBGZPJMESA-N 438.488 0.407 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 579275767 NTDNHBIZQIVLDM-FDDCHVKYSA-N 440.500 0.572 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)CC2)nc1 587646786 BTTHPOZNIWHHRA-UHFFFAOYSA-N 439.545 0.839 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 588124907 OEHWTUYTJJOWDE-KRWDZBQOSA-N 425.468 0.619 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 603880806 LYNIEGJCNGOYDK-UHFFFAOYSA-N 427.486 0.316 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608912368 VCZXNIHSNLFTDI-UHFFFAOYSA-N 439.324 0.730 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 609340283 NHJRCZCXONBJLJ-UHFFFAOYSA-N 427.477 0.969 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2C2CC2)c1=O 610574493 ZKFIXMTUVQAWQP-UHFFFAOYSA-N 436.537 0.657 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 611053264 STBCJXBANWSBAF-UHFFFAOYSA-N 448.530 0.571 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 642963745 QXDKEIABXABYTD-UHFFFAOYSA-N 448.545 0.949 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCOCC1 726279181 QWKUMZSJYHAFMT-MRXNPFEDSA-N 436.534 0.457 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 727164067 KRRKQDZTARTEFQ-UHFFFAOYSA-N 442.444 0.504 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 728572590 KVELLDSMMGMCAT-SFHVURJKSA-N 438.532 0.178 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 729177166 SYPARAYAACJQDN-GWCFXTLKSA-N 435.296 0.322 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCS(C)(=O)=O 732564852 SAHTYTYLGAXBDF-CYBMUJFWSA-N 436.559 0.289 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 734465430 JHQGIEFXCOLHQS-KRWDZBQOSA-N 442.497 0.651 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccn2C)C1=O 743736222 LTJLVUJPCBHLRH-VFOOBRQFSA-N 449.558 0.809 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nc(CS(C)(=O)=O)no2)ccc1F 744687690 GOWITFSGAPESIX-UHFFFAOYSA-N 433.439 0.575 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745483430 RNJBJJGNHFBSNS-LTDCPUDJSA-N 449.423 0.388 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 746642462 YJQCWIJRRQJJAG-IUDBQGPFSA-N 432.458 0.673 30 20 ICED CN1CCC2(CC1)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1O2 755806118 YELYSSGCNMQZFR-UHFFFAOYSA-N 447.517 0.014 30 20 ICED Cc1noc(N)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756013217 UNXPEEAWLHAICD-UHFFFAOYSA-N 433.446 0.127 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(Cl)cc2)c1=O 758060770 NBCYBNFTEVGTPK-UHFFFAOYSA-N 440.956 0.864 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758773404 RKAKUROZKYFGHP-HLLBOEOZSA-N 434.541 0.740 30 20 ICED NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)cc1 761229150 BGXRGSFSKNDSRM-UHFFFAOYSA-N 430.438 0.316 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 767683007 YQSAQIURLXUORL-GFCCVEGCSA-N 448.482 0.790 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Br)c(=O)n1CCOC 767874707 ZXVWJTCFLGUKQK-UHFFFAOYSA-N 440.294 0.707 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)c1cc[nH]n1 772596809 KQLVEZDRVRSEOT-UHFFFAOYSA-N 429.433 0.868 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@@H]1CCCO1 773795719 WVGPXEDIBFEWDT-ICSRJNTNSA-N 438.484 0.736 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 777860340 MMSZWXMOOHLHAX-VIKCJLSCSA-N 449.467 0.771 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(C)CC(=O)OCC 782560184 YCPACLDHUZKFSP-JOCHJYFZSA-N 443.456 0.716 30 20 ICED CN(C)CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785074392 QGJYPKMBQCMYHR-OQKWZONESA-N 439.538 0.132 30 20 ICED CCOC(=O)c1c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]c1C 792783895 FDFJPEXGEUIIQY-OAHLLOKOSA-N 431.474 0.846 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CCOC 795187658 RBVPUWSYMRSRRH-UHFFFAOYSA-N 427.482 0.568 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC2(CC#N)CC2)C1=O 797426587 JYVHUWHCIKJQEO-SAZKUCFMSA-N 449.558 0.964 30 20 ICED NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 815260368 QDSOECFFTIBLBW-AWEZNQCLSA-N 447.435 0.632 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(SC)cc2)c1=O 838174896 NOHFEAUTYUQJOW-CQSZACIVSA-N 447.582 0.932 30 20 ICED O=c1c(C=NN=C2NS(=O)(=O)c3ccccc32)c(N2CCOCC2)nc2ccccn12 914600132 PHUQTHKAHXHREB-UHFFFAOYSA-N 438.469 0.604 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 915473425 VTIVMFFKHBTFCK-KUHUBIRLSA-N 425.507 0.899 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1 916695403 ZPGZRYYLIBXGKM-KNTRCKAVSA-N 443.551 0.609 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)NC2CC2)c1 918267157 SCYOXFKGEOBTDJ-ULJHMMPZSA-N 449.533 0.613 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3ncc4ccccc4c3=O)CC2)o1 919263743 WFGRQQSPUHZMIT-UHFFFAOYSA-N 436.428 0.457 30 20 ICED CCN(C(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 919548078 KWLRWVUWNGNZOP-INIZCTEOSA-N 431.474 0.519 30 20 ICED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 921073914 WNNOIBQXOTZEDX-CHWSQXEVSA-N 425.349 0.576 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)CC2=O)cc1 1116820334 ZMRMYIOJTMDJHJ-KRWDZBQOSA-N 434.456 0.593 30 20 ICED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1141917894 IGRLUYLJDCRUSG-QAPCUYQASA-N 439.559 0.398 30 20 ICED CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1296120730 KLROZNVBLKEYLJ-QZTJIDSGSA-N 430.557 0.269 30 20 ICED CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1301697145 VTOBVDHERPEWJK-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CS(=O)(=O)[C@H]1CSCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319071265 OGEWIRLKCAERLY-ZBFHGGJFSA-N 436.515 0.709 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1341112332 ODEIQWQQUBMLOC-CYBMUJFWSA-N 449.504 0.358 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1504411100 OJMSTMBLUDSLPA-MRXNPFEDSA-N 434.522 0.498 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509779198 MCJQJBZPBVSIFZ-KRWDZBQOSA-N 444.565 0.844 30 20 ICED C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1633550661 WUWHMNKRGXVMRE-QMMMGPOBSA-N 440.279 0.579 30 20 ICED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cnn1C 1692943609 IVRUUGLVQQGJBW-XJKSGUPXSA-N 436.542 0.440 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1710887855 WGAVKYCDUMYAQK-QGZVFWFLSA-N 433.538 0.664 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749266809 LUNUQGIDROOAJH-ZDUSSCGKSA-N 436.904 0.833 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1779287780 JCANAPLZLBWBRT-KSFYIVLOSA-N 426.473 0.458 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780170053 YDNWCOIEURITDV-LAUBAEHRSA-N 429.477 0.457 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCN(C)CC4)CCO3)C2)c1 1780173903 JQEYIJLJLHTVEA-QHCPKHFHSA-N 441.532 0.258 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)NC=O)C2)c1 1780723666 ANPXRVIMSJTRDH-VQPPSCEASA-N 428.489 0.829 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)CCO2 1783055676 VHUQOFWYNCCOTP-SFYKDHMMSA-N 441.484 0.222 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cccn3)C[C@@H]21 1783529066 BDAQGPSBUGLYKD-REAYBDLQSA-N 429.521 0.357 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352872 UVTABJTWOXIGRR-ZHRRBRCNSA-N 430.505 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cccn3)[C@H]2C1 1785437907 MSKPXHGTOPECOZ-OOAFSNHKSA-N 429.521 0.357 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1785572480 LEYUEOIMLSQOMS-OPAMFIHVSA-N 445.520 0.780 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1785575189 ZQXOGSUZYZEYET-VGSWGCGISA-N 445.520 0.630 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789795630 ZJYFQBLDOVVRBO-VMXHOPILSA-N 426.627 0.556 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC)c1)C2 1792485564 MQGOBIDAJJKNMP-NOOKGOPLSA-N 427.501 0.686 30 20 ICED O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795837379 TZADVFSFTMTOEA-DLUMSKLASA-N 432.550 0.630 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796454066 WQBCFOAELDEZKF-OTBHWVCDSA-N 433.530 0.943 30 20 ICED CCOc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cnc2c1cnn2C 1796538588 MMKPVASUCCVXBY-BTTYYORXSA-N 425.445 0.707 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccc(C)n2)C3)c(C#N)c1 1799239026 SVSNJZYYZRNGSZ-BBIADKPPSA-N 437.500 0.904 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800326585 RELBRUBXRLCDBO-GGXPGOJBSA-N 430.505 0.788 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)ccc1F 1801301750 VVLLBICIISEPOL-CCWDJLKJSA-N 444.492 0.740 30 20 ICED O=C(Cc1ccc(O)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801461898 IUQZWWDAKIYXEN-QCRYDWBHSA-N 432.477 0.448 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2c2cccnc2)CC1 1806847219 LMTTVEGAURRQQQ-RHSMWYFYSA-N 432.444 0.436 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nc(O)n3c2CCCC3)[C@H]1c1cccnc1 1810592717 BTEZWQDJICWQDO-FOIQADDNSA-N 437.456 0.728 30 20 ICED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1814226811 VVGSQTGOERKRDM-MRVVIJBLSA-N 432.481 0.285 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[nH]1 1815620709 CWPAGUXPWQLNNQ-SIJIIQCFSA-N 441.492 0.868 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1 1821281448 RRZYUMDEGZOXHZ-VIFPVBQESA-N 428.455 0.857 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826876244 SZSGCOUHAYRAJD-MKQXIXSSSA-N 448.568 0.975 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CCCN1 1829905720 JYQZWUWUNPJCIF-DHIUTWEWSA-N 426.517 0.699 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831215400 KQSPYDPQLLPFAQ-JOCHJYFZSA-N 427.457 0.352 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1831386827 KMHZIZVFHSGGAY-AVRDEDQJSA-N 433.505 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1831393906 RDXKUWVVWZJEOP-HTAPYJJXSA-N 433.480 0.732 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1831402201 QLHUCUDGPCZQHU-FDDCHVKYSA-N 430.501 0.732 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831887366 AUNBDYXZTFRWTH-VGSWGCGISA-N 433.505 0.028 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833144131 DOMHVVHIFPWZEE-MRXNPFEDSA-N 438.573 0.630 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833316514 RPYLIQZFFZOWRH-JOCHJYFZSA-N 428.489 0.444 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn1 1833429805 JHRNSWNDCQHFGY-FXAWDEMLSA-N 438.550 0.900 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756310 VVHIUPAOZMYGQQ-NRFANRHFSA-N 434.493 0.534 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835681252 VVEIOPSWLUWUNM-AVRDEDQJSA-N 435.569 0.066 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835732551 JSQMTPPFRNSLCT-HKOYGPOVSA-N 444.584 0.712 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)COCCO)CC3)CC2)c1 1836126181 XJMHAVAFAGRHKU-UHFFFAOYSA-N 444.532 0.761 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccc(Br)cc3n1)CCO2 1836772602 KBLACWDXFUBUBZ-IBGZPJMESA-N 447.289 0.800 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968711 GVMUMYNLIRCWBM-XZEIMLRBSA-N 434.493 0.314 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1839175712 AEDWCZIEAVXQKX-MOPGFXCFSA-N 430.448 0.998 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1839455929 DACVVPREDQZPIU-QFIPXVFZSA-N 448.447 0.771 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839888916 PWRIJSRNYIHIKT-LJQANCHMSA-N 440.447 0.947 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)C1 1840039772 HNUDNKTVVIYPIC-PONJGIIJSA-N 448.422 0.613 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1OC 1840162119 MTHIXODHBDBOAK-YJYMSZOUSA-N 425.507 0.487 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840174624 OKESQHBJKLPZFF-ZHRRBRCNSA-N 433.480 0.977 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1)c1ccc(O)cc1 1840222063 BMGTYVBCTNZPHF-LYHRCORUSA-N 430.501 0.726 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458315 ZDRGGQRLFYCHGY-UWJYYQICSA-N 433.509 0.667 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1841054588 SSYOPUAIDHILGC-KTKRTIGZSA-N 435.484 0.609 30 20 ICED Cc1c(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)cn2[nH]cnc(=O)c12 1844655842 ATUKBILXDRYGNT-UHFFFAOYSA-N 425.493 0.430 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 29255763 WEYJZQPFBVDCOT-UHFFFAOYSA-N 442.457 0.464 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cc1 60725098 ZBAGKIHQECYSFN-UHFFFAOYSA-N 436.534 0.997 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 409564514 ADMSDDLAWVQWPD-AWEZNQCLSA-N 440.551 0.596 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 438733559 PMZNOCXHNABYFR-HIFRSBDPSA-N 438.531 0.597 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3ncsc3C2)CC1 446066487 LKGSEFCKHGQTKT-UHFFFAOYSA-N 431.543 0.906 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 446395183 BXGIVMDDPAZIBL-LBTBCDHLSA-N 429.498 0.688 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 446525337 XMYXUNHGZAPTEX-CABCVRRESA-N 437.522 0.643 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 465415827 IYAUYJROWMJHNY-HNNXBMFYSA-N 436.476 0.256 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)CC1 467232675 YMBMSNCMXZZDGA-UHFFFAOYSA-N 430.505 0.982 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 476900190 ABVFOQSKIDIBFA-LBPRGKRZSA-N 426.513 0.561 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503118828 QHUPRNLHOXDKSE-KZNAEPCWSA-N 433.534 0.819 30 20 ICED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 503854624 KGVPSGVFVBNOGR-INIZCTEOSA-N 439.453 0.562 30 20 ICED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506545784 BXOVWTRVORJMFN-UHFFFAOYSA-N 425.486 0.796 30 20 ICED COCCn1c(N)c(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(O)nc1=O 507785274 RGHNZIZQJNAHBU-UHFFFAOYSA-N 427.461 0.775 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 531940847 VPCZDVRHUMBQFA-ODXCJYRJSA-N 441.469 0.918 30 20 ICED CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 534785817 MBLFDKVXWKGPSQ-QAPCUYQASA-N 437.566 0.434 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2)c(F)c1 541102051 ZLJSKEBZLUJCJE-UHFFFAOYSA-N 441.467 0.891 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC[C@@H]3C(N)=O)n2)c(Cl)c1 543926088 YJQOBGBIUZUGDI-MRXNPFEDSA-N 443.895 0.792 30 20 ICED COCc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1F 557798441 NZAMIFYBOORONQ-UHFFFAOYSA-N 428.468 0.851 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 558994186 MPUHWOFJJHTDEP-QGZVFWFLSA-N 436.582 0.501 30 20 ICED C[C@@H](c1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1)N1CCOCC1 560824584 OLYUHVKEMSHPMD-AWEZNQCLSA-N 425.493 0.944 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 563484376 ABNGNPHQOUPWNQ-IBGZPJMESA-N 442.497 0.762 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)n1 563756249 UESTUQLKFXWEBP-UHFFFAOYSA-N 436.453 0.894 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 573370027 RFJPXZRQXYKEAF-FQEVSTJZSA-N 441.513 0.207 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 578043363 ZYSRPBYUBWEHME-VQIMIIECSA-N 439.516 0.491 30 20 ICED CN(C)c1nccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 578807129 BFOJLNSWWGKEJP-UHFFFAOYSA-N 429.506 0.041 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 579138966 ZZFHHFPCKZDVIY-IFMALSPDSA-N 440.592 0.613 30 20 ICED CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCOCC1 579533994 RWBPQMKXZYCDPR-MRXNPFEDSA-N 425.493 0.941 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)C2=O)cc1 582336458 LZPFTSXZMPXGGK-LJQANCHMSA-N 443.467 1.054 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 585678026 PVXCXCORVQKWHI-BRWVUGGUSA-N 435.550 0.857 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 609749572 GICGKHXBZGHIAG-HNNXBMFYSA-N 429.458 0.834 30 20 ICED C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 610424013 QSLGRFCKNBGNIK-JSPVNYKOSA-N 439.472 0.623 30 20 ICED CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)C1 610531438 IWQKXIWFMVSXPK-IBGZPJMESA-N 436.520 0.375 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222402 FUWKTBOFQCCBLN-UHFFFAOYSA-N 440.472 0.939 30 20 ICED CCCc1c(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 619835953 OTXQTEWCYZCLPJ-UHFFFAOYSA-N 444.517 0.831 30 20 ICED CCOCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402080 DJHIIAGEYBEPOH-GALDBLJUSA-N 442.563 0.697 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 728573552 QGNBUOGHGQEWGR-LXGFQCHUSA-N 429.565 0.537 30 20 ICED CCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 734048243 NAONDHREBMPHJS-UHFFFAOYSA-N 431.474 0.465 30 20 ICED Cc1cc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 738862228 ZROHPQZDSTXYNH-UHFFFAOYSA-N 427.461 0.782 30 20 ICED C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2CC(=O)NC)c1 741448782 FYTMZDJXMIUBSZ-KRWDZBQOSA-N 429.546 0.803 30 20 ICED C[C@@H]1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1c1cnn(C)c1 742911682 NAJSTXFEGFXGEU-IUODEOHRSA-N 430.490 0.159 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(CC)CC)CC1 749665418 AZJYCIMJPONBFE-UHFFFAOYSA-N 429.521 0.554 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 755536397 JINWKGCLSJXXNW-WCQYABFASA-N 437.478 0.299 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758056965 YXEKEVOEPXZLAG-UHFFFAOYSA-N 441.896 0.749 30 20 ICED CCCN(C)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 770617468 ZIOVENTVOSVZFI-CQSZACIVSA-N 430.552 0.843 30 20 ICED CC(=O)Nc1ccc(OC[C@@H](O)CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C(C)C)cc1 784667751 KWECIEIGGILGQX-SFHVURJKSA-N 442.476 0.980 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3c[nH]c(C#N)c3)CC2)cc1 786906336 IVAQKJPSFVAROZ-UHFFFAOYSA-N 432.458 0.585 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccnc3-n3ccnc3)C2=O)cc1 787449631 WJXYGEDABZNUEF-IBGZPJMESA-N 443.467 0.672 30 20 ICED N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1 790536432 ZGZNJZMRYMMLPZ-UHFFFAOYSA-N 429.458 0.279 30 20 ICED Cn1c(=O)c2nc(COC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[nH]c2n(C)c1=O 803865449 DJJNNBONLRRSHX-UHFFFAOYSA-N 440.435 0.931 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)NCCN1CCOCC1 805968245 DZWDQOCGJNLIIC-MRXNPFEDSA-N 428.493 0.531 30 20 ICED COCCCn1c(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 807959008 KJBKTTCZAJXDME-UHFFFAOYSA-N 441.492 0.342 30 20 ICED C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431761 ORFVQSTVJHPAQI-DLBZAZTESA-N 435.550 0.710 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(=O)N(C)C 814250820 ZNZSDWNEJRCEOZ-UHFFFAOYSA-N 437.472 0.188 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 815861324 CIRBRETXBQSCNC-UHFFFAOYSA-N 436.534 0.490 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1CCCS1(=O)=O 919362739 IXKIFUSASMPYSU-UHFFFAOYSA-N 426.495 0.530 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1288526401 UWQZMZPRVLAZMS-HZPDHXFCSA-N 425.559 0.445 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1296606234 NMTOISAOOMBQLZ-BMGDILEWSA-N 427.502 0.807 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1314530089 MBEQMJCJCMLNNF-UHFFFAOYSA-N 431.522 0.713 30 20 ICED COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1315403934 ZZWIKJWFGXKRRG-MOPGFXCFSA-N 435.481 0.945 30 20 ICED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1322427079 HYLXMPVHEZNSJK-AWEZNQCLSA-N 438.531 0.517 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1554358832 USENEVILKCGITH-JTSKRJEESA-N 439.520 0.497 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1617333517 XAYONENACSYSQS-UHFFFAOYSA-N 446.533 0.832 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1620168211 YVJQPKFWQCSOPI-INIZCTEOSA-N 443.533 0.425 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1620168653 NJRQOYFTAXNQOZ-SFHVURJKSA-N 446.533 0.704 30 20 ICED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(=O)nc1O 1629356169 ZANIAEJKZXJDGL-UHFFFAOYSA-N 437.865 0.007 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653212964 RUCMFARYNXUQEU-OTYXRUKQSA-N 426.545 0.876 30 20 ICED COc1ccc2ncc(C#N)c(OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1 1656691775 XSGMOAVDBYUKGO-INIZCTEOSA-N 444.513 0.825 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)N(C)CC)CCOC1 1696085389 IAZDXUOBHZYVBG-DYESRHJHSA-N 431.541 0.585 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1696826885 NLPAPPXFNXDBKR-UHFFFAOYSA-N 429.510 0.484 30 20 ICED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)on1 1751973618 YYWOIQLEWGELRV-ZFWWWQNUSA-N 434.526 0.410 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778017403 IVKJNBKAFNGNEB-VTJXTGGHSA-N 434.493 0.588 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779017205 DXAOAWIVUVLOIO-DUYDGHCJSA-N 425.493 0.873 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779336535 QLFGUMBKRSMQGW-GSHUGGBRSA-N 437.537 0.916 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779359300 FNNWUJSRSXZWKL-JPFMVSBKSA-N 430.509 0.781 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1779553608 HQSRGGZZXPKUMH-FVMUENOQSA-N 448.520 0.364 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1780046611 HOXGLJULLDHIGG-ZHRRBRCNSA-N 439.472 0.922 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311841 PBKKIMNOYMQPRP-YADHBBJMSA-N 435.521 0.914 30 20 ICED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781757282 ASWBWWPKAOKBCL-XMMPIXPASA-N 439.512 0.928 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 1783529108 CMXVDVYPJOWAAK-IJNTWLFSSA-N 434.581 0.945 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784520816 UVYFGKNHYVGRSE-QZWWFDLISA-N 444.550 0.156 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1784597944 HPZWSUWHYRYKPH-VBKZILBWSA-N 425.449 0.258 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1785574429 JWNABGHWFSIXSJ-VGOFRKELSA-N 445.520 0.699 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n(C)n1 1785611754 HJHWPVAAYOFFDF-ZOBUZTSGSA-N 432.525 0.304 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1787512387 HVLNKOBBNOHSOB-OZZMQFRTSA-N 429.502 0.758 30 20 ICED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788743116 FWRPOOYTAHGVJM-FYQPLNBISA-N 447.576 0.970 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929574 ALBNYTWQTXKSTO-FJIDUMEYSA-N 437.537 0.655 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)Cc3ccccc3)[C@H]2C1 1790954778 GAGNWMMBOGBNDN-BURNTYAHSA-N 442.560 0.852 30 20 ICED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793471825 WQVFEWPBKRCBHM-IBINEDMASA-N 438.525 0.267 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795532508 QUENIFOJLOLBTK-CLWJZODNSA-N 436.629 0.220 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccc1C=O 1795746187 QWJTWFMIGLLLQM-RZKCCLDFSA-N 428.489 0.310 30 20 ICED Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c(O)n1 1797784546 JJOJCMDVWHRQNH-XEMDLRDOSA-N 427.501 0.997 30 20 ICED 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C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1803563795 NUPJSVWCVGCDDJ-OGWOLHLISA-N 429.477 0.230 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814323582 HPZHPXFCVWCHCD-YEHZKWQTSA-N 444.535 0.629 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667920 OYHINKMVCLRCKS-CQSZACIVSA-N 446.464 0.463 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668414 VRKMFUXTKMDGQX-KBPBESRZSA-N 432.481 0.527 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036387 AQDZZXNYRHFGFT-MFKMUULPSA-N 444.517 0.831 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCN2C(=O)C=CC2=O)CC3)c1 1821595417 KQCGQDRRBBFVHV-LBPRGKRZSA-N 438.469 0.884 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1823745465 HZUIQFWADAIJJV-JTGQJZMRSA-N 445.520 0.016 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1828881672 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1837559949 FRKHNACDSUEVFU-MYRHLRDYSA-N 434.493 0.070 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837772031 HXHPDEKHTWBDFZ-XIKOKIGWSA-N 431.461 0.632 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)COc4ccc(O)nn4)CC3)CC2)CC1 1837792263 SMIKJIYWHPNQPR-UHFFFAOYSA-N 429.477 0.863 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838076780 RZVDVJDQNURSNS-LJQANCHMSA-N 440.422 0.922 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1838514639 JBVGLVSRMROBBB-NYNQOQISSA-N 444.488 0.943 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(COC)c[nH]1)CCO2 1838518635 NVSXWZVKASVJNM-QFIPXVFZSA-N 449.504 0.741 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)CC1 1838804141 FCOBTQMEKWVELP-OAQYLSRUSA-N 443.548 0.869 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838834407 ZMWDAGDUAYNFIT-IIBYNOLFSA-N 436.509 0.072 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838887796 WCMZUKLGNYPGNN-ZHRRBRCNSA-N 432.473 0.509 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1838952803 ISMLZOZOVQRCSJ-FQEVSTJZSA-N 442.501 0.539 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)C1 1839064366 WEHCYRMUDZRLHV-XUZZJYLKSA-N 425.529 0.836 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1839225352 GZYCPZYUOMKBFN-HRAATJIYSA-N 433.509 0.700 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3onc4ccccc34)CCO2)C1 1839544427 AMORIWGAEXCPDP-AOMKIAJQSA-N 427.457 0.936 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839842782 GHNZKJYBNPQESG-OPAMFIHVSA-N 441.488 0.372 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840103679 MOOSIBLXJMDVKR-JOCHJYFZSA-N 437.537 0.438 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1840399426 NHSKJNGTZDOKOE-NRFANRHFSA-N 449.577 0.732 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840819169 SPBXAYHGFBXUHV-JOCHJYFZSA-N 439.472 0.290 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847342888 WDSAHRBYAPPNGK-PMPSAXMXSA-N 437.541 0.929 30 20 ICED CC[C@@H](C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 29194053 QDNPEGLVJUJMHY-DNVCBOLYSA-N 436.534 0.568 30 20 ICED Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409520348 KYUVRNDUOFSWEU-INIZCTEOSA-N 428.536 0.079 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 409539414 ZDCGEJAWFAKNNU-UHFFFAOYSA-N 445.523 0.601 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2cccnc2C#N)CC1 428271363 ZEVMBKTUYHHKOT-UHFFFAOYSA-N 435.531 0.368 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 428686126 SKBHDXUQAITIPM-CYBMUJFWSA-N 432.424 0.938 30 20 ICED Cc1cc(NC(=O)C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)nn1CCC#N 440297107 QCDCNDMVJSZBOX-UHFFFAOYSA-N 435.488 1.310 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccn1 440379824 NBXPNIZVKHWMCD-UHFFFAOYSA-N 449.492 0.278 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCOC1 441962334 WVIFPUOOZWMJRP-HNNXBMFYSA-N 442.497 0.884 30 20 ICED CCC[C@]1(C)C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445893535 LELQIAKFSNAOBQ-OAQYLSRUSA-N 447.561 0.382 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 446561820 ZHCOPHHTHKSONA-KRWDZBQOSA-N 437.518 0.593 30 20 ICED COCC[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463363659 BKFNGDDHUBUKHW-GOSISDBHSA-N 436.534 0.128 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cn1C 486139251 UDTXVYPNNUBMCZ-SFHVURJKSA-N 428.518 0.712 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(c4ccnn4CCO)CC3)n2)cc1 491459586 RVCGEVWZZDFKKV-UHFFFAOYSA-N 448.487 0.732 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 497792196 UBZNFYQZUWLZCD-XLIONFOSSA-N 449.515 0.689 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 501529160 GEKSAANMKQHBQO-AWEZNQCLSA-N 438.506 0.164 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 506717787 JJWCGBSEFUIVRF-OAHLLOKOSA-N 445.505 0.268 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 512446543 MOLPLQIRAZQHSD-HNNXBMFYSA-N 445.549 0.839 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)n1 515084431 KOSSCCZHTOKUIG-OALUTQOASA-N 449.515 0.268 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 526038098 BANQQLSIDJARPM-ZDUSSCGKSA-N 431.901 0.547 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 532900042 FDECRINWMUKIRP-INIZCTEOSA-N 431.541 0.036 30 20 ICED CC(=O)N1CC[C@@H](CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 535848099 BJBISALFODPKPM-SFHVURJKSA-N 447.561 0.191 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)n2)c(F)c1 543886398 IEBGIYZOEOGUFP-UHFFFAOYSA-N 425.424 0.838 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 568079500 BNMGVXNJEGOZKM-WOJBJXKFSA-N 442.560 0.933 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1 572165584 WCVXXGFMGOQEMT-UHFFFAOYSA-N 443.483 0.159 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 573874483 DDEOUBFKEPCSLI-OAHLLOKOSA-N 429.525 0.552 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 581837856 LUMKJARLFUOELS-NRFANRHFSA-N 430.549 0.951 30 20 ICED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 585720970 UQPXLARIPFKFDC-UHFFFAOYSA-N 436.472 0.748 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603988717 DXUYBBGECDQLHU-UHFFFAOYSA-N 425.510 0.617 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C 604269959 KSOOAUIXGWYFIU-UHFFFAOYSA-N 432.571 0.787 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 609811547 IYHJLZJWNANKRC-UHFFFAOYSA-N 439.563 0.324 30 20 ICED Cc1nc(=NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)n(-c2ccc(C#N)cc2)[nH]1 610575401 UWHGEKRLSPISMO-UHFFFAOYSA-N 428.478 0.218 30 20 ICED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 610663702 RWCMZHGBLTZQDC-UHFFFAOYSA-N 437.570 0.862 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610811100 YXKQXYRGRVRJBO-BBEJJTJUSA-N 433.490 0.062 30 20 ICED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCN2C1=O 611430219 QXKLSPBNMDDKIP-RBUKOAKNSA-N 442.495 0.503 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)C1=O 613853084 BRJIHLMYXCHBHJ-OAHLLOKOSA-N 449.485 0.188 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc2cccnc12 681663673 YPDFCDOIIMKIOV-INIZCTEOSA-N 448.504 0.360 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1 729281629 KWQFUHFXIGPFNG-UHFFFAOYSA-N 428.533 0.879 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc1 732912055 CBOYZDNMZPNPFT-UHFFFAOYSA-N 444.513 0.973 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)cc1 734354282 CGMYXNKNBMESOI-UHFFFAOYSA-N 431.518 0.499 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC(=O)Nc1ccc2c(c1)OCO2 741344262 YRRZXLHEHHUGPI-ISLYRVAYSA-N 430.373 0.523 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745996317 VHLGCPFYEYMPSE-HTXNQAPBSA-N 434.474 0.433 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)NO)cc3)C2=O)cc1 746268915 QFAFNMAIMDWQAX-OAQYLSRUSA-N 426.429 0.898 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 758049644 JNVJYEXZJMSKBY-HOCLYGCPSA-N 425.510 0.915 30 20 ICED COc1ccc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 759823417 INPKXQDVMWHYEK-OAHLLOKOSA-N 443.441 0.672 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCS(=O)(=O)CC2CC2)C1=O 764889341 NVCGYPJPAGMLKH-CQSZACIVSA-N 440.547 0.983 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)cc2Cl)c1=O 767892040 RUNCZIKSVUZOSL-UHFFFAOYSA-N 426.882 0.278 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C)c1cc[nH]n1 772277292 HDBHSGJKSBFBDK-JSGCOSHPSA-N 425.511 0.756 30 20 ICED C[C@H]1CC(=NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)NO1 773539671 YCVWRSSNWJPZRK-CABZTGNLSA-N 436.412 0.856 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 778352382 HOQHSHWFBOQERS-HNNXBMFYSA-N 426.516 0.937 30 20 ICED CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2nnn(C)n2)C1=O 782822181 QBAJFXSMTUXCGR-HNNXBMFYSA-N 448.528 0.939 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 783350681 ONPDAWZMVRBDLK-UHFFFAOYSA-N 429.520 0.127 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cn2)CC1 786442058 QXNOVKIBXUJGRE-FQEVSTJZSA-N 447.471 0.936 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cc1Br 788613293 UCSGGSAELIZCAL-UHFFFAOYSA-N 438.325 0.261 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3ccccc3S(C)(=O)=O)CC2)o1 792571004 LHHIXILBVDOAJA-UHFFFAOYSA-N 446.485 0.693 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 795387103 WCYJYUDSZIQDEE-UHFFFAOYSA-N 429.454 0.899 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 802626376 LOFGNNCYLJKCCJ-UHFFFAOYSA-N 427.486 0.783 30 20 ICED CC[C@H](CN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1)OC 809943304 BRBLWDSIBRJLHQ-IAADXIDXSA-N 442.563 0.695 30 20 ICED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C)c2)c1=O 838242470 KTTIQYOKKCOHSL-UHFFFAOYSA-N 425.518 0.159 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685356 GDJUROZYTOJFQA-IBGZPJMESA-N 436.490 0.018 30 20 ICED CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918305221 RUSNZULJQYBJNK-OQKWZONESA-N 432.506 0.830 30 20 ICED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 919315700 MRERMDBDJCYOBF-MJGOQNOKSA-N 449.529 0.765 30 20 ICED C=CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1116350099 SJDFXFBWFPNQER-GJZGRUSLSA-N 430.552 0.165 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1291613236 SXKZGDMRWYAGCM-CQSZACIVSA-N 442.451 0.521 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cn1 1471718400 VMXNARSOZRNAMF-LJQANCHMSA-N 438.463 0.344 30 20 ICED C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1494602381 MZMXYZJFGBXMFC-INIZCTEOSA-N 425.493 0.386 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509217748 SWPXOZCIVKMQQE-FUHWJXTLSA-N 435.598 0.935 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1611711322 MLYQGLNXMBCFIR-GOEBONIOSA-N 425.559 0.491 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692670287 KVESXVDKIWMIDY-ZBFHGGJFSA-N 445.549 0.798 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cc1F 1723956176 QUDZGDXVPLEKLG-FZMZJTMJSA-N 426.449 0.944 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1OC 1750187983 ZHASMGLRFOJSTP-KDURUIRLSA-N 440.504 0.916 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1768428347 ODFKGFDYAUTTAO-SQNIBIBYSA-N 431.541 0.453 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1777830852 MSJGXMCGXIEYFO-QFIPXVFZSA-N 447.455 0.762 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381197 QRNVUZVJSBDWOV-QVKFZJNVSA-N 431.493 0.051 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779056342 FMIIKWRVHGZDQX-MBSDFSHPSA-N 441.532 0.806 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779061221 SELMDSDJUKJODN-XMMPIXPASA-N 445.560 0.918 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnc[nH]1)C2 1779422738 LWBVGZKGTIBGJU-BSOUKZRHSA-N 433.509 0.995 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636253 YWJRUIPAAWGZFI-QHCPKHFHSA-N 442.516 0.643 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1782799294 KRPURPXSLDDQCD-JOCHJYFZSA-N 444.463 0.355 30 20 ICED C#CC(=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 1783495504 BZVCIMCCCDTJKW-FSNCLGKMSA-N 433.505 0.474 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567770 ZBCNGHHJFIWHBN-ZHRRBRCNSA-N 449.504 0.551 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1784744180 LYLNRUDHWXWLIZ-PXPVJAHISA-N 440.543 0.752 30 20 ICED Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n1 1785371634 KNNOPHBJTIUIIO-UFYCRDLUSA-N 428.533 0.870 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1785631771 JGMIKLPSZOYLSG-JTSKRJEESA-N 428.489 0.387 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603280 PMXBBHGXPNRVNH-UZRSVZKRSA-N 429.521 0.450 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](S)C(C)C)C[C@@H]32)no1 1788667410 CUMWEYJBTNWLFC-ILXVDBEPSA-N 438.550 0.647 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CN(C)C(=O)C(=O)O)cc2)CCC1 1791094974 UFSCWLJPUYEJFF-KTKRTIGZSA-N 442.472 0.522 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)CCC1 1792140836 GFZVIALUAKJAHO-ZOBUZTSGSA-N 436.472 0.377 30 20 ICED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792828530 JACUZLYHQOLWGC-JHDGKUDLSA-N 426.517 0.949 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2 1793342179 GCRNQNHGYMWLSS-YDGKCNFYSA-N 428.485 0.976 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793856748 KKNPURQGHDZGJO-BCDXTJNWSA-N 436.468 0.890 30 20 ICED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n[nH]1 1794561464 BKVAZTGPFRHNIJ-VPTLXERWSA-N 437.456 0.766 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c1 1799286666 QHIFQTWVCOTOGK-REPLKXPHSA-N 430.505 0.105 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)c1ccc(O)cc1 1800518643 CPILCSRLUNWLOH-PRHHBONVSA-N 427.501 0.744 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCc1ccccc1 1800848163 JNNIMAYHUOSIEF-JHDGKUDLSA-N 445.516 0.740 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccc(C)cc1 1800883314 VCGIRCLSTZJAKK-GJHUICOYSA-N 425.485 0.626 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1800990597 WGONTTWOAZPOOJ-NFWAQSGPSA-N 429.498 0.638 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804353580 KPQMDONMORIBNN-GGPKGHCWSA-N 446.467 0.871 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)c1 1807058238 JWMQUULTYVUBGR-UZLBHIALSA-N 435.488 0.765 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815766103 RCDIPHAMRLLHJZ-GJZGRUSLSA-N 432.481 0.983 30 20 ICED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1)n1cnnn1 1822857410 ZGBBTMCVYWRWPL-ZFWWWQNUSA-N 428.501 0.931 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nnc5cc(C)nn5c4C)C3)C2)C1 1829667951 DTTGQYDCOJYXQE-JOCHJYFZSA-N 440.504 0.777 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831221598 TVNMVQSGULJFRJ-XMMPIXPASA-N 438.528 0.253 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H]4COc5ccccc5O4)CCO3)C2)CC1 1831228868 ODRKNXXYBDOZBD-SBUREZEXSA-N 441.484 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1831388573 UUKRXYNCQJPMPF-JFJMSNSPSA-N 447.444 0.696 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831409552 SULOAJSXJIAFPR-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881902 VMOOTSOSHKJNAH-QFIPXVFZSA-N 430.505 0.395 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCN3CCCC3)CC2)CC1 1833076342 WAXKECRWRWMFRR-WAYWQWQTSA-N 445.608 0.902 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833413545 LFLJHYQPWFFNKJ-QFIPXVFZSA-N 439.472 0.870 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833674516 IATIOIBKLJBLNG-KUHUBIRLSA-N 425.461 0.728 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1833704738 UQWUNDIVXFEUCT-UHFFFAOYSA-N 431.624 0.912 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1833802503 LYEHUIXHICCLEK-CNSRZQHFSA-N 435.550 0.993 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833882662 YACUWEBQJLWCJO-OAQYLSRUSA-N 440.460 0.079 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(C(F)(F)F)n1 1835344541 JWXZICHYCNXWQV-GOSISDBHSA-N 441.410 0.813 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1835680814 WCUWSLAZMOHPKL-LJQANCHMSA-N 445.564 0.878 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731466 QSWPKQLQIAPAMN-JWGRYVKWSA-N 449.600 0.477 30 20 ICED C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768025 IUESJGBTKGIZOF-CFZWTVACSA-N 437.541 0.222 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1835990331 XPNVEIJOBYQXKM-HPARJBSBSA-N 443.504 0.521 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837397389 PTNBAXLNLABWEI-MBSDFSHPSA-N 446.548 0.932 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837402896 LYFLGIVPAGEVKN-AVRDEDQJSA-N 432.521 0.439 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440115 CLPSFJXXYASIHL-YQNSVDCASA-N 429.521 0.932 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1838665048 QUBQJPRMEAODJW-QFIPXVFZSA-N 449.471 0.850 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732587 WCHOKGTXUFYBHG-NRFANRHFSA-N 427.461 0.804 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047613 XWXCABRKPZXIHN-VGOFRKELSA-N 443.504 0.319 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4=COCC4)C3)C2)c(C#N)c1 1839133333 MAGYDWXLICIOIW-HSZRJFAPSA-N 441.484 0.870 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839537834 FPELPAYMKXLMRF-VGSWGCGISA-N 428.489 0.995 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839642059 CJMWLDVIVBNPLN-DYESRHJHSA-N 425.526 0.292 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839885207 HBJDOGXAICAAAS-OAQYLSRUSA-N 448.907 0.808 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165099 VYOXKNQHKZXVJO-SLBVSICGSA-N 445.541 0.671 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840176545 FVPWAJAACWAQOO-UHOSZYNNSA-N 432.539 0.013 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840905589 MSGZBBHEYXWYLD-XMMPIXPASA-N 441.528 0.985 30 20 ICED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1844894317 LNUZJQCDMMGJHM-UHFFFAOYSA-N 425.470 0.841 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[C@@H](O)C1 1846196000 YYOGFRSZJCHYQH-YCRPNKLZSA-N 449.504 0.286 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)c1 24490900 WVJGHTNXFQMEKM-GFCCVEGCSA-N 437.474 0.826 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N(CC#N)C1CC1)c(=O)n2Cc1ccccc1 116065718 DUZUEYRRSCABDP-UHFFFAOYSA-N 436.472 0.569 30 20 ICED C[C@@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 433246864 LGJFDTXIQBDOST-OAHLLOKOSA-N 447.517 0.964 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 437529523 YCPRHOQQLSVCTF-JQHSSLGASA-N 444.575 0.866 30 20 ICED CCN(C(=O)CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 443404738 HCSXYKYDXYKBMP-INIZCTEOSA-N 443.547 0.231 30 20 ICED Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1S(N)(=O)=O 446726293 LMENCUOBUKJAPE-CYBMUJFWSA-N 436.515 0.497 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 460952683 PTYMSPJGTXAXDA-LSDHHAIUSA-N 448.615 0.572 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(COC)cc2)c1=O 461377866 JMQMEVMFDYJXEI-KRWDZBQOSA-N 427.526 0.874 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1CCN(CC#N)CC1 464977071 MSVMYAPCBBAOHC-UHFFFAOYSA-N 436.534 0.681 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)CC2)nc1 473283140 PMCZTJNAJPQOLD-UHFFFAOYSA-N 447.455 0.292 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 483444242 JADDKKOTIJWWNS-AWEZNQCLSA-N 435.506 0.575 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2=O)cc1 488633760 XMPOJRDDOLRRFX-GOSISDBHSA-N 435.440 0.278 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3cscn3)c2=O)cn1 488991203 YJPBIAMFWLHUIZ-GFCCVEGCSA-N 427.511 0.681 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CC1 491237576 RTXTVPFQPCFOHC-HDICACEKSA-N 443.548 0.685 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 495386754 YNYRZLFZAJIFMW-IBGZPJMESA-N 449.515 0.700 30 20 ICED Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 500064715 IFLOTHQDPNIWQC-UHFFFAOYSA-N 429.564 0.944 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)nn1CCC#N 504487763 INWVIZLJNCDDEI-UHFFFAOYSA-N 429.525 0.637 30 20 ICED COC(=O)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C(=O)OC)C1 504879132 MICGOPPZPSWHLG-HOCLYGCPSA-N 437.474 0.132 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCOC2)c1=O 505665319 REWMUIQGXVFTFX-HNNXBMFYSA-N 429.546 0.264 30 20 ICED C=CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 512566676 YQUPCQMQLZILGQ-AWEZNQCLSA-N 448.588 0.513 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 531083540 NEWRYXGIGDOYNE-UHFFFAOYSA-N 446.467 0.897 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539449487 LUZUABRWOLGLJB-RBUKOAKNSA-N 437.541 0.548 30 20 ICED CCN(CC)C(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540473114 UUNAOTDJYZGQGQ-LJQANCHMSA-N 446.621 0.943 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 556197854 FXDZLCHNKLVXJR-QGZVFWFLSA-N 443.591 0.732 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 561903780 HENQWNNNOSUMRT-PKOBYXMFSA-N 434.924 0.733 30 20 ICED N#Cc1ccc(NCC2CCS(=O)(=O)CC2)nc1NCC1CCS(=O)(=O)CC1 567536347 DSCDVUQWVXTDIG-UHFFFAOYSA-N 426.564 1.427 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 570427601 PZRBUYVANHSIJQ-FXCLAUTBSA-N 426.473 0.576 30 20 ICED Cn1ncc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2cnn(C)c2C#N)c1C#N 577215354 YEAHSNFWCMFEHF-UHFFFAOYSA-N 437.508 0.255 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 584501627 MHDNWKZGMMAPSU-UHFFFAOYSA-N 448.526 0.693 30 20 ICED Cc1ncc2c(n1)CCN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 603661926 RVXCGKFCZZRVQB-UHFFFAOYSA-N 440.529 0.548 30 20 ICED COC(=O)c1nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2n1 604121628 WFQRLBPJEKZFOK-UHFFFAOYSA-N 441.473 0.602 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccnc4)CC3)cc2)c1N 608925128 QMKFSCNNHJIQRO-UHFFFAOYSA-N 437.485 0.868 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C#N)C1 609268612 GSRHGOIFVMDUCN-UKRRQHHQSA-N 449.938 0.173 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 609402362 WBSJJKCQFDMLBX-CQSZACIVSA-N 439.563 0.827 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 726043763 RJXDMHMWAGPOGZ-CYBMUJFWSA-N 426.429 0.735 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)cs1 728596576 FWTGNQOJPKMEEH-UHFFFAOYSA-N 435.535 0.846 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(CC)c2)c1=O 732561894 VXBWPAPFHDGYPW-UHFFFAOYSA-N 429.546 0.747 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 746493317 IPJBPSWSXLVHIP-UHFFFAOYSA-N 440.569 0.924 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)c[nH]3)CC2)cc1 748222253 FLDSGLGFTVUJJX-UHFFFAOYSA-N 446.485 0.975 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 753787751 SIVRJEBAMJXGRG-UHFFFAOYSA-N 425.532 0.285 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 753830495 INMBPXWDYLYXHF-UHFFFAOYSA-N 427.910 0.572 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 757065960 KWWDOAMAYALVEQ-OAHLLOKOSA-N 443.508 0.465 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCS(=O)(=O)CC)cc1 759158702 ALWUAOLPROTXMI-UHFFFAOYSA-N 431.536 0.325 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 761025597 WGEVUKAJMNTTAZ-AWEZNQCLSA-N 433.303 0.200 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771439194 QUZQIJSAZZJBKN-MPBGBICISA-N 432.433 0.406 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CC(C)(C)CN(C)C)c2=O)cn1 772318907 WJBNGIYYKVIHJN-UHFFFAOYSA-N 442.589 0.824 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)[C@@H]1CCCO1 773797738 RYGQIKJXFYPSKX-MOPGFXCFSA-N 448.545 0.248 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776751544 GPIYGDDZBBTVLU-UHFFFAOYSA-N 433.892 0.991 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 777312415 BPOFDUANGDPCLG-HUUCEWRRSA-N 443.522 0.368 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCC1 779321960 WZBILRKYKPKSPT-UHFFFAOYSA-N 441.531 0.851 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 783462649 SVZQOIRZSQHBJU-INIZCTEOSA-N 432.436 0.567 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 784352022 PFKXMJGXRUZPBH-UHFFFAOYSA-N 444.469 0.300 30 20 ICED C[C@H](OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)NC1(C#N)CCC1 787548640 AGCNEGPQHKUNHM-HUBLWGQQSA-N 443.909 0.862 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 788318546 DMVJLNCXVMCABV-UHFFFAOYSA-N 434.500 0.755 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC1(C#N)CC1 797780087 HEGAEHKDIAGLRE-MZTACXPWSA-N 425.532 0.800 30 20 ICED C[C@H](CC(=O)OCc1nnn(CC(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 799493650 KLIHYGICSFNOAD-SECBINFHSA-N 432.384 0.796 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 805276689 ZLCPIDXRBPGUSJ-MRXNPFEDSA-N 430.571 0.924 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806126838 XOKGKAOSHDIUHA-ZDUSSCGKSA-N 442.437 0.577 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 811042907 SKTNVXJLIGEZGQ-GOEBONIOSA-N 433.490 0.712 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 917081265 YIROONIZUYOVTD-INIZCTEOSA-N 446.533 0.716 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917761797 PLKRUQZYZCZSGW-UHFFFAOYSA-N 447.586 0.036 30 20 ICED CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918316873 WQMFGKNLNKPSMY-QJOMJCCJSA-N 449.533 0.423 30 20 ICED N#CC(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C[C@H]1CCCO1 920394020 DOMFZERMTAYDBO-CQSZACIVSA-N 440.437 0.795 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1293113024 CJHDRGOXJLTGMU-QGZVFWFLSA-N 429.550 0.907 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1315743678 LBRLZFMGBGLBMZ-JOCHJYFZSA-N 440.504 0.917 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507860127 JTMCAIQRQAETFA-OAHLLOKOSA-N 429.872 0.625 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1518644722 NJQOYWVTCIKSFC-ZWKOTPCHSA-N 448.549 0.854 30 20 ICED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541943063 PEMKELFGZUZTJU-RDJZCZTQSA-N 438.602 0.405 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1556586337 SMJWSAVPFHGOQU-UHFFFAOYSA-N 425.463 0.287 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1628171321 NYSXENQOPJOQDP-UHFFFAOYSA-N 445.501 0.477 30 20 ICED C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486060 VBPKGWPRRFPRCK-DNVCBOLYSA-N 448.545 0.447 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)cc1 1641758727 UHZLSJJMXHBQHV-KRWDZBQOSA-N 438.575 0.503 30 20 ICED CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1710156837 UFBSQNGAASUFEF-NVXWUHKLSA-N 439.586 0.834 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1730419215 LJMKJGNGNOOEJW-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)C1 1765673622 YUENKWDFBUXIQP-QGZVFWFLSA-N 445.549 0.813 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@](C)(O)CCOC)CCOC1 1767473879 RPIOKCGAGWUHDE-STZQEDGTSA-N 448.568 0.894 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2nccn12 1779020868 DABSKERZYCSHOI-YQNSVDCASA-N 439.520 0.953 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779337144 JEOLPBRNSHESAZ-DRSNIGMVSA-N 432.521 0.942 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CC(F)(F)C(=O)O)CCO4)C3)c2c1 1782196273 YCFODIRKDGLNTL-LJQANCHMSA-N 447.398 0.988 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 1783530815 IRNJMASBIJZPRX-ULPAQXSLSA-N 437.500 0.786 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1NC(C)=O 1783566465 BVYRBCXNMPHMAY-NRFANRHFSA-N 429.429 0.185 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784373033 WCVAKFULEMGFEA-HYJFEMIMSA-N 442.516 0.831 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1784489128 CTERXEBPKORHGK-XSLAGTTESA-N 430.567 0.630 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603526 KDHBGEPMIKGKEY-MQXWVYJVSA-N 426.583 0.552 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789935564 DTJXHYPMCJOKPQ-XSLAGTTESA-N 437.537 0.655 30 20 ICED 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(Cl)c1 1790229985 UGTMMUZJSVBUJR-IKICRFKJSA-N 447.923 0.398 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnn2c1OCCC2 1790370444 ULQGHOUYFYBTQO-OXTUAAPVSA-N 444.536 0.731 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C[C@@H]21 1791073093 LQYWEBRDBJNYHF-RBTCRBIMSA-N 426.469 0.350 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146465 UVSJOLLCIZNNMQ-CCMRYFRJSA-N 442.516 0.784 30 20 ICED 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 1792258780 QIBDCZCBLDAUEC-WNHJNPCNSA-N 448.564 0.444 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Oc1ccccn1)C2 1792491294 INFYEXPFZQRIME-YHOXAOFOSA-N 428.489 0.297 30 20 ICED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1C 1793130046 GJNIOCVQBGRISB-SQKIAGDQSA-N 433.509 0.390 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c(O)n1 1794489094 APMSMIKMNPARPC-VPTLXERWSA-N 442.516 0.731 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)[C@@H]1SC(=N)NC1=O 1795275840 USAUWFXEBXDYQG-DRACIFKTSA-N 440.525 0.430 30 20 ICED O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795299441 LMYRWPIPDJALKB-OPMZPASUSA-N 430.526 0.853 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796426051 GMWVQSOSVOHIEJ-UJPOAAIJSA-N 430.477 0.590 30 20 ICED C#CCCC(=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 1797120179 GGCXSWCJNTUKGN-VBRUWADQSA-N 449.548 0.607 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1797744413 LYROSFVONYGJNH-JSOGOZJLSA-N 432.477 0.478 30 20 ICED CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)o1 1797811388 MRUHQVPPSUVSMF-XDEBEIOISA-N 435.481 0.473 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1797812642 YHVPXIBFCNZKQR-RGCDKQNKSA-N 442.476 0.462 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800153594 QQFHWSZYFNZHOH-UEUMHJPSSA-N 426.517 0.933 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C)C3)N(C(=O)OC(C)(C)C)C1 1801100480 XCQNAHBRSBKSPX-ZMMAXQRCSA-N 436.553 0.703 30 20 ICED CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1802091855 CRGFPDQKAOPMSB-IZZQQSIFSA-N 434.533 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)CC)[C@@H]1c1cccnc1 1803508112 BSCQRWAPHJYZEZ-KSALOMHHSA-N 448.545 0.381 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)C1 1806001502 DYACPEQLDOCZPT-SJORKVTESA-N 427.567 0.584 30 20 ICED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826013264 OPGPEUMZUCMRMB-WDEREUQCSA-N 432.593 0.104 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCNC(=S)NC)CC1 1828926144 AKRFGMDBORMMPU-ZEVQVBBLSA-N 449.621 0.949 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)COC1 1830026237 USINUGRKIQCQLU-QHCPKHFHSA-N 427.501 0.984 30 20 ICED Cc1cc(C)c(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1831172603 CWHIPKUUFAIMHV-QHCPKHFHSA-N 444.484 0.535 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc([Si](C)(C)C)c3)C2)C1 1831396326 JNZYTZVLLUOMFV-HTAPYJJXSA-N 448.592 0.933 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n(C)n1 1833448149 XNKQCZMUXMEAPT-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833471153 RSTVIFUUCRPKLZ-UHFFFAOYSA-N 449.552 0.093 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c(C#N)c1 1833721143 SAQMVIDWAYDTOL-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833769553 ARZGXYNZBPZYCW-UHFFFAOYSA-N 440.548 0.933 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016167 WCVIPAREALZHOP-QHCPKHFHSA-N 427.501 0.850 30 20 ICED COCCOCC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834566150 QHWHUQQDPKVNJK-HZHRSRAPSA-N 434.537 0.933 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587344 IQUQOMYKCYISAV-DUYDGHCJSA-N 431.493 0.329 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626820 KJAFFUJNCWVLEY-QGZVFWFLSA-N 435.569 0.981 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1835499141 WGGXXZRWDNGCQZ-QRWLVFNGSA-N 431.518 0.656 30 20 ICED Cc1onc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1C 1835675019 IOPCQQHEMVPWDA-OAQYLSRUSA-N 433.509 0.643 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108826 BHWFSAFYIFVQGA-OXQOHEQNSA-N 434.518 0.063 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837398487 BUZSOLUGZQVWOJ-CVDCTZTESA-N 442.516 0.977 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839224998 VHRONFXVIZOUCJ-VFNWGFHPSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1839225420 JKKYCPSPUCCICT-HRAATJIYSA-N 444.492 0.600 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)n1ccnn1 1839704847 HYPINWUPDDMAPE-VGSWGCGISA-N 438.488 0.410 30 20 ICED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839767820 YDWMPDKGSFEDPM-AOMKIAJQSA-N 432.448 0.549 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1839809260 JHONHRGISWQENU-HXUWFJFHSA-N 433.417 0.315 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1)C(F)(F)F 1839893332 RSBMMFSAIIIDFM-SFHVURJKSA-N 446.426 0.718 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1)C(F)(F)F 1839893930 YRKLZNWARPIJCY-GOSISDBHSA-N 443.378 0.999 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840165910 NLQXLHDATHFYDG-YCRPNKLZSA-N 436.530 0.790 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840294621 GHHDYWOWQJKPBP-YLJYHZDGSA-N 426.535 0.214 30 20 ICED O=C1NCCn2nc(C(=O)N3CCCC34CN(C(=O)C#CC3(O)CCCCC3)C4)cc21 1842563706 SMSYJOKMIQNJNV-UHFFFAOYSA-N 425.489 0.142 30 20 ICED O=C1NC(=O)[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)N1 442138423 PCGKYXWNFLNHHS-HJPURHCSSA-N 431.452 0.914 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cnn1-c1cccc(C#N)c1 443688877 AXNKOOAJQXCUBC-MRXNPFEDSA-N 444.517 0.914 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 462109320 PKBUFJLDFPCTQR-UHFFFAOYSA-N 436.520 1.513 30 20 ICED CCn1c(CN(CC#N)CC(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 471150541 FVEICAUDFPEQSJ-UHFFFAOYSA-N 435.506 0.576 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)c1C#N 472880254 JJSDETOZZFNBCW-UHFFFAOYSA-N 437.439 0.607 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCCO1 479369267 ZUVVJBFGRPGGDB-MRXNPFEDSA-N 442.541 0.912 30 20 ICED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 485729494 BDJZGHIMPJHKIQ-FXAWDEMLSA-N 433.578 0.663 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccccc3OCCO)C2=O)cc1 506187768 DOFSFIBGRYEQQL-IBGZPJMESA-N 436.468 0.463 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CC(F)(F)F)C(=O)C3)n2)cc1 508669082 HDTWTJHCMLWSPT-UHFFFAOYSA-N 435.366 0.370 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511240081 KMUPSQZQAMSQFD-UHFFFAOYSA-N 442.922 0.454 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1Cc1ccon1 512719395 BDWZHKAWAKHKDO-UHFFFAOYSA-N 426.502 0.582 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC2(C#N)CCCC2)c(O)nc1=O 514740460 KILONYZCSYXBLQ-UHFFFAOYSA-N 434.497 0.653 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 522387348 JWQLKUUOCWLXBX-UHFFFAOYSA-N 436.541 0.700 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)C1=O 522939481 XTJJFCJCBXCXHO-INIZCTEOSA-N 442.472 0.410 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 533518981 GOKSALXFOWRFSB-MRXNPFEDSA-N 425.555 0.965 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 537454102 NEVJLPIEHTYJDM-UHFFFAOYSA-N 431.518 0.861 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(c3nccs3)CC2)CC1 552472358 DXJVXTONQRXWQQ-UHFFFAOYSA-N 425.518 0.844 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 553515178 YSJPVUMMTCDWNM-UHFFFAOYSA-N 442.497 0.625 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)CC1 553669410 RDJZDYMQVQYMMX-UHFFFAOYSA-N 430.549 0.985 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n1 556531226 YESYTSMBSLJSTG-KDOFPFPSSA-N 426.864 1.509 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CC2)c1C#N 559905650 YFBIAZKIZJDJHF-UHFFFAOYSA-N 436.520 0.429 30 20 ICED CN(CCCN(C)S(=O)(=O)c1cncc(C#N)c1)S(=O)(=O)c1cncc(C#N)c1 564399554 DUEPFFJTDRKHCJ-UHFFFAOYSA-N 434.503 0.551 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 564514915 YZXGUJFNRKSMIT-UHFFFAOYSA-N 426.454 0.591 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4cnccc4C#N)CC3)nc2)CC1 574699279 KVMRGJBPHQTARM-UHFFFAOYSA-N 427.534 0.611 30 20 ICED CC(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 583462648 RZHOQHCJRPUQAB-SFHVURJKSA-N 425.489 0.102 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609146863 NJZZRFOIJHMJFR-INIZCTEOSA-N 425.537 0.916 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCN(CC#N)CC1 609330805 XJXYDJNKDUFROU-IBGZPJMESA-N 436.534 0.865 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 728533757 SDEREHXDSCNGOL-UHFFFAOYSA-N 445.564 0.407 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 729118952 LLGBSIYFYXCANG-AWEZNQCLSA-N 426.491 0.493 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)C1=O 736129450 LXPORBDUJUVCKC-CHWSQXEVSA-N 438.481 0.840 30 20 ICED Cc1ccn(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(=O)c1C#N 758221947 BRZLHQKWZCBOPH-UHFFFAOYSA-N 443.485 0.323 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 758641794 MWBDFXGOUZLUSJ-FZMZJTMJSA-N 430.508 0.371 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 761035592 AXNACZHESPQSTQ-AWEZNQCLSA-N 442.563 0.645 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cc(C)ccc1F 763459998 DAMNQTQDPXFGTI-UHFFFAOYSA-N 440.500 0.951 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774580498 DMCAQLCWNFWQPD-BPLLHCKZSA-N 447.561 0.696 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 776138830 PQTCFKKJQYWISG-JCVNQNCUSA-N 432.502 0.785 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NC1(C#N)CCC1 784187117 OUOOTQVQCQXDEO-IFXJQAMLSA-N 445.497 0.973 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H]1CCCN(c3ccc(F)cc3C#N)C1)c(=O)n2C 789474094 OVIOOLDVPLXSRA-OAHLLOKOSA-N 440.435 0.657 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 789793274 HJJRNQKUQKQAPF-UHFFFAOYSA-N 425.493 0.759 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2ccccc2OC)c1 798062605 ZTZOFRKRRUVZRG-UHFFFAOYSA-N 429.498 0.695 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 808219411 TWOPTJRKJKFIJL-SFHVURJKSA-N 437.504 0.562 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)CC1 923869601 RVSFYMKYMPUNFY-SHYRYGCCSA-N 435.506 0.819 30 20 ICED COc1ccccc1-n1c(C)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C 1324166248 BFAIXPIBSKHGKE-UHFFFAOYSA-N 445.501 0.813 30 20 ICED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1327853710 IHILMNCUKYTRQB-UHFFFAOYSA-N 447.517 0.637 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1508425356 QNFCILKMIWFGIA-YJBOKZPZSA-N 448.549 0.747 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1516029673 YFQSTQZGHYTHDH-ZWKOTPCHSA-N 448.549 0.996 30 20 ICED N#Cc1ccccc1N1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1637449855 RONLJQRYVQKBCZ-UHFFFAOYSA-N 440.548 0.713 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1638983735 RDUCAKBBDLRROZ-OAHLLOKOSA-N 438.506 0.589 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1 1643737985 IXLFUBCNHQMUEE-KBXCAEBGSA-N 431.470 0.962 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1690346684 ZLMHXNCVSKSPPK-STQMWFEESA-N 432.934 0.065 30 20 ICED CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1710271179 RNXGWDVHIBHGQP-WOJBJXKFSA-N 441.584 0.895 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1710898688 KMZXSVXWNDGUQC-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CS(=O)(=O)CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1712695279 ORVWZBOUBPUBSZ-HNNXBMFYSA-N 441.579 0.745 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749104575 XHVGTSOJVSJDJS-VXGBXAGGSA-N 446.327 0.730 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)n1 1751223279 MYUGBVQRKFZDAG-RDTXWAMCSA-N 435.558 0.780 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1752452650 QYBDTIIFEOBOHA-JNAXZKDPSA-N 431.518 0.980 30 20 ICED CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)o1 1765614868 SKWDPIFWZOWTSG-UONOGXRCSA-N 437.526 0.914 30 20 ICED O=C(/C=C\C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)NC1CC1 1778831679 HCKDXRHFOALNKX-FUMRIQNTSA-N 429.517 0.350 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1779019048 BQAVTXBPXMOEPA-XOWGOQOESA-N 430.509 0.791 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064563 DUWLDRINPJYJNS-FDDCHVKYSA-N 433.549 0.820 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779105274 SUCAKZMJLAZDNW-RVNBFGHRSA-N 442.476 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779695664 BDLVLLJTRJVPHZ-GSHUGGBRSA-N 446.504 0.875 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5c[nH]c(=O)cn5)C4)C3)c2c1 1780251686 OLIDCSFNHJEDHO-NRFANRHFSA-N 433.428 0.275 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780648058 VCIVWYHNXFKJOA-MIZPHKNDSA-N 446.592 0.319 30 20 ICED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781336878 FEMJIKYWEYQUFN-QVKFZJNVSA-N 436.509 0.396 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCC1 1783124053 PTENASGBKUDYBG-OXQOHEQNSA-N 430.465 0.999 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1783683844 NAVWJOFCRIPHLX-DZKIICNBSA-N 431.449 0.286 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784778966 HNGAVCKQIXTCEA-HTAPYJJXSA-N 436.553 0.847 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)CC2=O)c1 1786363514 ITZJBKBBAICXBJ-FVCZOJIISA-N 440.500 0.941 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786974712 MIZNQQWUFGOUBF-LNLFQRSKSA-N 446.467 0.063 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328818 WNZXFFOTTVGFOK-QRTARXTBSA-N 434.460 0.470 30 20 ICED Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791693953 SPZHWBDMRLJLBC-SVYAYJAHSA-N 446.504 0.717 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1793346751 LMUHAQPUPDIBBC-QLIIJSOBSA-N 427.501 0.630 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793570911 CWKZHYKZVMOPSV-LFVTVUPYSA-N 439.472 0.969 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)c(O)n1 1794489253 QIQJYOYRCJXPLJ-CSHUHZATSA-N 428.489 0.388 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3c(n2)NC(=O)CC3)c1 1796106434 VQGVIQHNMGPFHG-CCWDJLKJSA-N 434.456 0.683 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2 1797318101 KZSAUCMTRVTITB-CCWDJLKJSA-N 443.504 0.470 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2 1798270147 OFVDSUPPRVYHDP-RCJHGTSTSA-N 430.461 0.640 30 20 ICED C#CCCC(=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 1802016462 JLJRXUJXNDPGDG-IHEQNBGGSA-N 449.548 0.607 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105165 XSFGWYMYSHATIY-BAESOJJISA-N 431.605 0.391 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1806944584 OCRIULMCBAFTGY-ZSNQNCKNSA-N 431.493 0.705 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807189333 APQBWYSOFSBIQH-HDSVCZEZSA-N 443.552 0.152 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1810247389 WGSGTBCHVMCEGX-MJQMVNBJSA-N 432.521 0.723 30 20 ICED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810287523 ADLPQROWYQFGCK-IUCABKQXSA-N 430.509 0.915 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(F)(F)F 1812682107 JNIGVBKCTJSJJK-WMZOPIPTSA-N 444.454 0.493 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812812888 QCNCZNCGDDUEOP-KXBFYZLASA-N 430.461 0.700 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1813035851 AADNXVQBTAQCGK-ZVZYQTTQSA-N 440.591 0.831 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2(C#N)CC2)CC3)CC1 1818893889 PJYFNKCECGKZOR-CQSZACIVSA-N 430.534 0.523 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@](C)(O)CC(=O)O)n[nH]1 1822404261 MSKMWQXHLBUFQX-WNJCHPQMSA-N 447.492 0.876 30 20 ICED CC(C)n1nc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1C(=O)O 1825662996 AWBMQFXZIIUYSK-JTQLQIEISA-N 445.457 0.933 30 20 ICED O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1826318003 CDRFKHOQBUYIQN-NLTBIBMSSA-N 441.469 0.692 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829228316 RNOPIIGZRLZBDT-HTAPYJJXSA-N 426.473 0.206 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1829267294 ODEMMFIWVVKQML-RLIDHQHUSA-N 437.496 0.964 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1829783401 JSLPOPWKCLUACP-GCJKJVERSA-N 439.553 0.086 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1830058166 QKYBSDKFRFOVFL-IOUFHMPJSA-N 444.488 0.458 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC)c1ccccc1)CCO2 1830415699 UXSKFCIZTAHYQC-NFBKMPQASA-N 443.500 0.954 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831386599 AWXNOFQPMCFCHE-NTKDMRAZSA-N 439.512 0.986 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1831396495 MZFWGGRCMYZNFS-KSFYIVLOSA-N 444.463 0.582 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)CCC1 1832210353 BQPRPPAPXCPSHX-JOCHJYFZSA-N 438.488 0.582 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832717451 WWFGLASRZYPZLR-HRAATJIYSA-N 435.908 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833333358 HHNMAGFMCSRGFF-OPAMFIHVSA-N 446.504 0.701 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnn(C)c3)CC2)CC1 1834190853 VSDLEKPAQOJROW-PLNGDYQASA-N 428.537 0.464 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2ccnn2)CCO3)c1 1836205671 CIZOKOIGECESGY-QFIPXVFZSA-N 438.488 0.239 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417964 SAJTYLNXCSVPSC-QHCPKHFHSA-N 437.452 0.615 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836937317 ZVXDUEXLUHZOIR-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)=NN1 1837356346 OYVVHPQMANBTPH-NRFANRHFSA-N 444.875 0.024 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1837394559 CPGARSMUQWWRDO-KKSFZXQISA-N 436.509 0.072 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837428313 AFXSBZOQCTVLQK-OAQYLSRUSA-N 447.612 0.936 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1837440450 JGAKXKSCGDCUEX-DOUQRPAJSA-N 428.480 0.960 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531216 DVJZVPBTSOYBRM-RWTMDTCBSA-N 448.520 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(CC)s1)CCO2 1837717718 AFEZJYZXENDEDI-QEVIJRNUSA-N 448.545 0.634 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838619736 BXXAQYHWKCJZKZ-ZMZPIMSZSA-N 439.925 1.000 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C(F)F)CCO2)C1 1838710265 SSUIBWTXDTWXRX-FOIQADDNSA-N 440.447 0.695 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838741762 AALJLBAHNCZHLS-NRFANRHFSA-N 425.445 0.300 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839345289 YOFOXOSRVRVUGL-VGOFRKELSA-N 449.573 0.912 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ncsc34)C2)C1 1840042485 XHFTWEKDMXSLJX-FQEVSTJZSA-N 429.454 0.454 30 20 ICED Cc1ccc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2n1 1840042879 SUVRYERRSGAXFN-HSZRJFAPSA-N 437.452 0.701 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840140387 YHOOGICRYUINLT-GBPOLFSSSA-N 448.516 0.237 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1840157159 GPHGLTHAHJOXRX-RRMPHLOHSA-N 433.530 0.954 30 20 ICED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C1(C#N)CCC1)CCO3)CCC2 1840815197 CDLCZBDJMFPDKC-JOCHJYFZSA-N 427.505 0.673 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)C1 1843858782 IXVXZHFPHLUOBK-KTKRTIGZSA-N 437.500 0.402 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@H]2CCOC2)c1=O 441935950 QIRDQHIPRKRVPR-OAHLLOKOSA-N 435.509 0.822 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441941883 MUISSPVMXFPHIA-DOTOQJQBSA-N 440.525 0.140 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cnn1-c1cccc(C#N)c1 443678525 CPNNLPYQPQYQMQ-UHFFFAOYSA-N 438.488 0.951 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 448451565 FXRFPNCCBLMHLZ-SMDDNHRTSA-N 432.424 0.895 30 20 ICED Cc1ccnc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)c1 460721407 YQROMSPYHNSMOP-UHFFFAOYSA-N 430.472 1.438 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(Cc3ccon3)c2=O)n1 479360155 DIPMDKOXHMWHHB-ZDUSSCGKSA-N 438.465 0.458 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480937927 PZQWGYPMHHOJPY-GFCCVEGCSA-N 430.511 0.662 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 482080099 URXXJONUTGWKMQ-SNVBAGLBSA-N 428.396 0.878 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482158387 SLKXNEPQJQYBSA-KRWDZBQOSA-N 449.577 0.628 30 20 ICED COC(=O)CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 497727274 KBERCJDGMKIXNN-UHFFFAOYSA-N 448.545 0.666 30 20 ICED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501109576 IWXCABTUAPPMOF-NVXWUHKLSA-N 427.530 0.920 30 20 ICED COc1cc(C#N)ccc1OCC(=O)NCCNS(=O)(=O)c1sc(O)nc1C 502009210 JZMIGSIWCCHICH-UHFFFAOYSA-N 426.476 0.511 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508860348 ZGWPNLSPNCABHF-INIZCTEOSA-N 438.554 0.331 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1-c1ccsc1 515451426 DZOVATLIXOUQGH-UHFFFAOYSA-N 441.490 0.947 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 516811200 IOVSKYNFMMFRAP-KRWDZBQOSA-N 437.544 0.896 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 524281045 CSIPKJVCLRGBQX-UHFFFAOYSA-N 448.907 0.749 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc2c(c1)OCO2 531370822 WBDNTTMPYYKSNV-UHFFFAOYSA-N 436.474 0.810 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533061017 PLMSMZIERYYCLG-JQHSSLGASA-N 427.592 0.739 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)n1 538030618 PFGUQPPJXVZADH-UHFFFAOYSA-N 429.525 0.821 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 539285197 DWOXZROBZXFWEG-UHFFFAOYSA-N 427.440 0.849 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3occc3c2)c1=O 551920313 ITEHERLIYIXYNB-UHFFFAOYSA-N 441.509 0.958 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CC1 555862788 JBBLOHHCHPDIIB-AWEZNQCLSA-N 433.939 0.842 30 20 ICED N#CCNC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 557783748 ATWWONFRXHYZBV-UHFFFAOYSA-N 428.430 0.439 30 20 ICED COc1cc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 566592201 JGWCDVZRPTYJDZ-QGZVFWFLSA-N 447.513 0.821 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC(N)=O)cc1C 568554645 KEWATMQFLRPYMC-UHFFFAOYSA-N 432.461 0.863 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1 569770835 GTSMWRZOVMTHHK-UHFFFAOYSA-N 444.488 0.889 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)CC1 574654808 IBAQNCGCAZUTNI-UHFFFAOYSA-N 448.527 0.750 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 579879938 BFPPDKSEGSHKKK-INIZCTEOSA-N 448.545 0.913 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)c1C#N 580899582 WZPXMMYRLLVZCV-UHFFFAOYSA-N 449.515 0.692 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 585690240 KJEHFBKNVNPKAL-IBGZPJMESA-N 428.537 0.511 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C 590983212 OBPKZHLDADLWRK-UHFFFAOYSA-N 435.889 0.485 30 20 ICED COC1(CO)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 618551088 KNAPBTOOSSFGBU-UHFFFAOYSA-N 429.477 0.928 30 20 ICED CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 726838888 ALTVSAFGLWJFFJ-UHFFFAOYSA-N 435.502 0.751 30 20 ICED COc1ccc(CCN2C[C@H](C(=O)OCCn3ncc(C#N)c3N)CC2=O)cc1OC 729806352 DEDKBOPOYLHABI-OAHLLOKOSA-N 427.461 0.989 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)C(C)C 729912619 CUDKXKBFXFJPGV-CQSZACIVSA-N 430.552 0.841 30 20 ICED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 733204394 QNIPPHBQNXWRRC-MRXNPFEDSA-N 431.536 0.673 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 735847274 PKGIKKICWVWODW-FMQUCBEESA-N 426.429 0.616 30 20 ICED CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 735887349 RZVFQBIGYODQHX-VKWHMPGMSA-N 435.550 0.896 30 20 ICED N#CCSc1ccccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 736165593 CWJOYIZXSZHPAB-OAHLLOKOSA-N 436.559 0.363 30 20 ICED N#Cc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1N1CCC(O)CC1 743733286 LGLGQCCUCXSVON-UHFFFAOYSA-N 427.486 0.955 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 743890312 JEGMBDJNQXFSLB-UHFFFAOYSA-N 430.480 0.933 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)OC(C)(C)C)nn1 748898333 MFHAASYOCKTFBN-CYBMUJFWSA-N 449.489 0.902 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)c1 754452696 WRJLDFXLJUPEJD-XDBZFTIUSA-N 434.543 0.760 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 755937198 LMYXYEFWUHMOKQ-UZUQRXQVSA-N 438.532 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)ccc2OC)c1=O 758051526 WUPCRHMBFHCFMM-UHFFFAOYSA-N 432.299 0.563 30 20 ICED C#CCOCCN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 761113356 GLJAFNVUQDLWMY-UHFFFAOYSA-N 429.926 0.881 30 20 ICED N#Cc1cnn(CCOC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1N 771599344 JLWAUXLXVHKXRT-UHFFFAOYSA-N 435.462 0.410 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 772116858 ZUEUMYIFHXMQDV-QHCPKHFHSA-N 440.500 0.849 30 20 ICED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)[C@H]1CCCO1 774852236 CTJSYZMJQAKRKG-GBESFXJTSA-N 445.516 0.490 30 20 ICED C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)[C@@H]1CCCO1 775469784 GVHRYTPXPYYRMI-XIRDDKMYSA-N 441.531 0.454 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 780054902 HKWFPBBRFOTSBZ-ZDUSSCGKSA-N 426.520 0.411 30 20 ICED COC[C@](C)(CNC(=O)[C@H](O)c1ccc(C#N)cc1)NC(=O)[C@H](O)c1ccc(C#N)cc1 780943065 HMYSQAXEGABSLP-VIZSFHNOSA-N 436.468 0.834 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1C#N 782941211 XRTSCCZQMWUETA-CQSZACIVSA-N 438.462 0.073 30 20 ICED COCCNCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785174415 LAHPWMJFOJFLMY-QJOMJCCJSA-N 439.538 0.180 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2c(F)cccc2OC(F)(F)F)c1=O 790114208 WGEWYTOWRDQSMQ-UHFFFAOYSA-N 425.363 0.830 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 794540836 LDUWSYGXFNENII-WBVHZDCISA-N 435.502 0.200 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800010713 YDLOPKCUNWNOFZ-AWEZNQCLSA-N 425.536 0.479 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(NS(C)(=O)=O)C1 801459195 PXVTZVUNIGYAHX-PIMMBPRGSA-N 442.563 0.480 30 20 ICED CN(Cc1nnc2ccccn12)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 808176645 JWBAVNIIQNDRPJ-QGZVFWFLSA-N 431.456 0.871 30 20 ICED COCc1ncc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(N)n1 820042914 HWJQOZRTRIPWBP-OAHLLOKOSA-N 446.533 0.975 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1 916675911 HPSSCVLVGMWOGT-INIZCTEOSA-N 427.548 0.532 30 20 ICED Cc1ccc(CNC(=O)C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1F 1290982511 WRAOCICGWFAKIE-UHFFFAOYSA-N 427.436 0.823 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1301809730 PTYJFBZNPUDNRC-MRXNPFEDSA-N 438.510 0.619 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1314538870 QXQPTBWEAZWECS-UHFFFAOYSA-N 432.506 0.442 30 20 ICED COc1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c(NS(=O)(=O)C(F)F)c1 1475430546 PSAGXBKFLNCBIM-AWEZNQCLSA-N 425.435 0.699 30 20 ICED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1507859306 ZXKFVCGUVQLJHD-UHFFFAOYSA-N 443.899 0.968 30 20 ICED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1513032130 ZODPKDWTTWRNHE-RDJZCZTQSA-N 436.582 0.908 30 20 ICED CN1CCC(Oc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1564734827 VILXBXDCYPRKGC-UHFFFAOYSA-N 426.477 0.793 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1618568036 UXDLAHFXLBBIPH-YCRPNKLZSA-N 428.493 0.698 30 20 ICED C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486059 VBPKGWPRRFPRCK-BEFAXECRSA-N 448.545 0.447 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1729622528 YSVKNEMOUWHGPR-HNNXBMFYSA-N 439.520 0.917 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741988743 SOSYLPUFBIWKNV-RTBURBONSA-N 436.538 0.080 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1747707595 SCJNDAVNKXZBNA-MRXNPFEDSA-N 426.506 0.865 30 20 ICED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1747971963 ZTVZZXXTEUJULY-UHFFFAOYSA-N 449.519 0.738 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(C)(=O)=O)CCOC1 1767473406 NTJKLKIGDNPRCX-QFBILLFUSA-N 438.554 0.151 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1769152967 YBKXJVRJSLBCPS-UHFFFAOYSA-N 435.492 0.725 30 20 ICED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769333231 VYNZFJKEGJMUJH-GOSISDBHSA-N 436.520 0.559 30 20 ICED CNS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1769362714 RWELCSYRLIMUML-KBPBESRZSA-N 438.485 0.835 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778080297 BPBOAQMANJSDGF-APPZKNGHSA-N 428.580 0.621 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774094 KSTCFTBFXPFXOM-OAQYLSRUSA-N 425.493 0.683 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c(Cl)c1 1779096566 KYQVDPIBSXWWTB-CTNGQTDRSA-N 448.907 0.306 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2)C(F)(F)F 1783206529 MNUPSBITCMCIMR-GOSISDBHSA-N 439.394 0.893 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783977349 RNDTUDQOWAMRCJ-UWJYYQICSA-N 433.530 0.881 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c(C)cc(C)nc34)C[C@@H]21 1784484033 PIVDKAIBIFTXQQ-UMGGQSCQSA-N 439.516 0.978 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n(C)n1 1785376662 XZDNRYNEQDMYQX-JOCHJYFZSA-N 439.472 0.823 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786869623 AGNCFBKQTITVSD-DUPRYPCISA-N 430.505 0.571 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1787511009 WLJUXXHDGPPQTB-QAYBQFKMSA-N 433.530 0.190 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1787514108 WYSNHZJSEQFKTK-RLPMTRPNSA-N 445.541 0.993 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600883 HCTIPNMXDQVLNO-UUSXGWBYSA-N 426.583 0.597 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(COC)c[nH]3)[C@H]2C1 1789208258 UJKNYMJXOUWDTI-TYEGUXDJSA-N 430.505 0.613 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1792837450 UCWOZDFWINIRMS-OPOADAIRSA-N 429.904 0.807 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(=O)cco3)c2c1 1795001747 QTQBDEROBRZLJC-HBCWATKFSA-N 433.424 0.905 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336323 IHGLUIFMHLETKB-QMHWVQJVSA-N 443.566 0.530 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1nccs1 1796409633 XNPWIDQWAXBMOO-PYUXSEGLSA-N 433.534 0.392 30 20 ICED 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[C@H]3CCC(=O)N3C1)C2 1797713972 FECJQRHBMUAOET-DOZWFGMRSA-N 433.549 0.550 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c1 1799285453 YSKUCFMTLBDGCU-SUWCGCSTSA-N 428.489 0.469 30 20 ICED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1800541563 WRKLRGGVRMFWCS-ACDBMABISA-N 444.557 0.735 30 20 ICED C=CCC(=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 1801001819 LUPKDKOHJJZISY-YALNPMBYSA-N 439.509 0.609 30 20 ICED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1802290969 KSOXNMDNOWRYAL-LVQVYYBASA-N 431.562 0.978 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1803549431 XZDBUOCDBYEDFO-ALKREAHSSA-N 437.456 0.928 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804341974 NOTTZNADTVLYBA-IIVZCXTMSA-N 429.477 0.277 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)C1 1806002404 APXCWKMERJCFDT-LPHOPBHVSA-N 436.505 0.751 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806641491 OIRPNIQAZKTOFL-UWVAXJGDSA-N 428.489 0.875 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(CS(C)(=O)=O)nc2)[C@H]1c1cccnc1 1807917349 RIBRJEGBRGFXOA-OXQOHEQNSA-N 426.498 0.974 30 20 ICED O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1808949261 YPVOMQXCMGGUAT-RFXDUXSISA-N 441.492 0.908 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)CC(=O)N3)[C@@H]1c1cccnc1 1809689726 PWCGYAFELILECA-ZHRRBRCNSA-N 432.436 0.984 30 20 ICED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810356977 KVECQCSMXXORSF-LQASZQKZSA-N 431.493 0.753 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@@H]1c1cccnc1 1812531028 VGNSBWGMVZFFOZ-JRBPQWBISA-N 442.516 0.948 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC)NC(N)=O)[nH]n1 1814437376 WMQIREULQBLDCB-YPSPLPASSA-N 431.497 0.707 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817247871 XYUUSPBRJSQOOQ-ZRLCCKPJSA-N 429.481 0.707 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1820976157 GHHMGZKBZOBNSA-NVXWUHKLSA-N 438.529 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828964651 LWFANJLXVJRBHY-DPLTZYNFSA-N 448.564 0.115 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)cc3)C2)C1 1829765415 WBYFJBWETMCXPH-XXXZYALBSA-N 441.528 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1829776992 NBDHTHXOWYNDQL-UZQCKINESA-N 448.564 0.033 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830056489 BHKPZIUGXPJGKZ-NRFANRHFSA-N 430.461 0.488 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1830062749 ALGGNSZENDIKPN-LHXJMTLCSA-N 445.472 0.823 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832366277 BYKSJXNBNYANBK-NRFANRHFSA-N 430.432 0.402 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833448978 OWWGWRKPEAZBOU-OAHLLOKOSA-N 441.598 0.436 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1833468508 UALTZQSYILMJFQ-KRWDZBQOSA-N 441.532 0.630 30 20 ICED CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835672688 HOEWCVGUXMHCMP-QHCPKHFHSA-N 443.548 0.996 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1835713241 AWWZZIKJRIYIFV-SFHVURJKSA-N 433.553 0.884 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848298 MLHSADXLEJTIMH-HRAATJIYSA-N 444.492 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836848658 VHLAJXZTBBVQIN-VGSWGCGISA-N 443.504 0.372 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1836858945 FLUVVRXIOCEPOV-TUYSUELWSA-N 431.533 0.858 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837441007 MEAPLCYNJCFSGM-UQQIOGDDSA-N 432.525 0.270 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1837491004 SWNXVXOKVNWQJP-QHCPKHFHSA-N 443.500 0.089 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524317 FICOESNJTACRBG-IYNODDHASA-N 435.481 0.019 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccn5cn4)C3)C2)c1 1838737080 GZLHMYDSRGJUDM-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825410 UJQPMLTXRUYDDJ-HXUWFJFHSA-N 436.465 0.976 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1838949492 FLKIHPOHGKEBFP-PGRDOPGGSA-N 426.473 0.154 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951447 QQWOMQHJCUEQMO-KSFYIVLOSA-N 426.473 0.319 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)C1 1839066131 WSJLTBZDMTVUDT-OFNKIYASSA-N 426.517 0.970 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371687 KJYQHUIVBBNCRO-SZNDQCEHSA-N 436.461 0.465 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532879 FVAKYLHPEKLYMP-QFIPXVFZSA-N 446.504 0.409 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1839806529 SFLIZFWILRSSKV-JOCHJYFZSA-N 431.489 0.522 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(Br)cn34)C2)C1 1839808553 UWDZTYPZTSAHPW-LJQANCHMSA-N 447.289 0.800 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)C2)C1 1839810266 OFFFHQBIKZSEPC-YQTDCCHMSA-N 444.484 0.815 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839843313 XRTIDVSDVDBPDE-XERREHJYSA-N 440.493 0.150 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)COc2ccccc2C#N)C3)no1 1844310491 YVMNAIMYBZHSPA-UHFFFAOYSA-N 437.456 0.867 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1847081704 AZGGSPVZNRRGPH-DOQJBMMISA-N 432.521 0.795 30 20 ICED N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)ccc1C(F)(F)F 409474696 FSKWRTAFYYKCED-UHFFFAOYSA-N 438.409 0.963 30 20 ICED COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc1C 409953318 SZYAVBZGDBPDFP-UHFFFAOYSA-N 441.509 0.397 30 20 ICED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 434693533 GBEUUZFCXAGOIO-FCEWJHQRSA-N 436.534 0.744 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2Cl)c1 439255287 GKDVXRBZOARDBR-UHFFFAOYSA-N 430.848 0.954 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(Cl)c1 441604682 ORYJZHRJJZTLBU-QGZVFWFLSA-N 441.875 0.869 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446210492 JLLXTYNTLDPKOC-UHFFFAOYSA-N 440.460 1.308 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 446529929 KRUBRANUTOPSKU-ROUUACIJSA-N 449.529 0.736 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 446792673 MEONNZAMKJNHRR-UHFFFAOYSA-N 447.455 1.242 30 20 ICED C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCCC1)n1cnc(C#N)n1 467266859 AJLQHCPDEIOPDT-FMKPAKJESA-N 438.496 0.616 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471070658 JFPTVEHFASALLM-SFHVURJKSA-N 441.488 0.572 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(F)ccc2C)c1=O 477273026 AIXDREUPSCTBPW-UHFFFAOYSA-N 449.529 0.137 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c(C#N)cn1CCOC 481338566 CJYIGHQWJSITRA-CQSZACIVSA-N 441.510 0.728 30 20 ICED COC(=O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 481513841 YETGDIRACPZPJL-SJLPKXTDSA-N 448.545 0.665 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C(=O)NCCCO)CC3)C2=O)cc1 488264264 LMUWXRYPEFVNES-IBGZPJMESA-N 427.505 0.579 30 20 ICED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 494411023 HTIQBGDYTPWWCX-QZTJIDSGSA-N 438.488 0.915 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500349291 PLWXEPKYEDUYNA-UHFFFAOYSA-N 432.300 0.208 30 20 ICED Cn1cc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)n(C)c1=O 500399460 QEWGPPRNZPIDKR-UHFFFAOYSA-N 440.485 0.015 30 20 ICED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508862565 FKAMUAKTWDFRIE-UHFFFAOYSA-N 429.550 0.856 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)[C@H](C)C1 509810936 PLNAOWHEGZKFRO-CQSZACIVSA-N 438.506 0.404 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)CC1 512455828 IUVJEFOFEBBTRU-FQEVSTJZSA-N 433.578 0.992 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O 519107947 OHRLANGNMBFSFR-UHFFFAOYSA-N 427.461 0.299 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 537172137 BAPJIQYOWVEWLO-ROUUACIJSA-N 431.562 0.780 30 20 ICED CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 538269690 QBZWMWDSDAFTIK-IBGZPJMESA-N 446.621 0.943 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539449488 LUZUABRWOLGLJB-RTBURBONSA-N 437.541 0.548 30 20 ICED CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2cccnc2)c(C#N)cn1CCOC 539636076 ICOGTHLPQUTCFH-UHFFFAOYSA-N 449.489 0.837 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 539690646 DOVTVNOIJQCYBQ-UHFFFAOYSA-N 438.506 0.227 30 20 ICED CN(CCc1cnccn1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540045840 QUXXFWKFWVIWGM-UHFFFAOYSA-N 428.518 0.356 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2)nc1 543211380 DDCXQOITMDMATA-UHFFFAOYSA-N 425.449 0.620 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)ccc1Br 548084356 RPRLDPKECCYGRW-UHFFFAOYSA-N 449.265 1.100 30 20 ICED CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 555426957 KQKQBFAORURPCK-UHFFFAOYSA-N 431.562 0.828 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)n2)c1=O 575057993 CAZJBUJDCCIWQJ-UHFFFAOYSA-N 430.530 0.625 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 584622065 HATAIXRNLGSDMP-UXHICEINSA-N 441.532 0.248 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123596 CQJAUTQCYSLGQW-INIZCTEOSA-N 444.511 0.401 30 20 ICED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588869878 UITCAJQPBFAMPI-FOIQADDNSA-N 439.516 0.539 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589756001 YUSLZRWCLFQCQM-UHFFFAOYSA-N 427.526 0.999 30 20 ICED Cc1nc(SCC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1C 604466026 MEWBAHIOKBSVSR-UHFFFAOYSA-N 425.580 0.664 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606052420 ZARBCTYKWZVFHR-IBGZPJMESA-N 426.498 0.960 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763021 BWKMORVACXDZMB-UHFFFAOYSA-N 447.561 0.163 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCNS(C)(=O)=O)C1=O 726889624 RSSCMSJVTPIBTI-LBPRGKRZSA-N 429.524 0.097 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)Cc2ccc(C(=O)N(C)C)cc2)c1=O 728283274 DGRQOFKBGLUWAI-UHFFFAOYSA-N 427.505 0.725 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C(=O)OCC)c3C)cc2)CC1 728532652 GKBVWZYDAPLVBJ-UHFFFAOYSA-N 437.500 0.865 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCCOCC 732795789 YGFBIWRWLBQCEX-UHFFFAOYSA-N 429.546 0.919 30 20 ICED N#C[C@@H](C(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 732911060 XVKDXTYPJOTKHL-AWEZNQCLSA-N 426.882 0.105 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3scnc3C)c2=O)cn1 743727625 DBYDYSXZRHORDU-UHFFFAOYSA-N 439.522 0.849 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 746657762 OFIKTVWXSIGGMJ-UHFFFAOYSA-N 445.295 0.413 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1 752331402 FBTUNEXTFQYWGO-CQSZACIVSA-N 429.462 0.893 30 20 ICED COC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 753503522 LXATYPHMWMLCSG-UHFFFAOYSA-N 435.502 0.894 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)cc1 785042425 PIYBGTWCEIAQJF-UHFFFAOYSA-N 445.563 0.713 30 20 ICED CC(C)N1CCC(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 787779475 UAGIQVZDPPHPAM-UHFFFAOYSA-N 427.553 0.498 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)n1 789789240 UHUJZJSRUOKGSX-UHFFFAOYSA-N 432.502 0.842 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccsc3)c2=O)cn1 790437526 IWOLZMIPYXXMCD-UHFFFAOYSA-N 441.538 0.585 30 20 ICED Cc1oc(CO)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 792708260 AUSAMLVQFGTPFW-UHFFFAOYSA-N 447.469 0.642 30 20 ICED CCN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 800643913 AHNPRUJWQNARSL-FXBPSFAMSA-N 440.522 0.295 30 20 ICED CCOC(=O)[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 802712587 PWOHTBLUTFYMSU-CQSZACIVSA-N 434.474 0.207 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806838811 OEGCHNFPATVNGP-DLBZAZTESA-N 448.483 0.517 30 20 ICED C#CC[C@]1(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CCCN1C(=O)OC(C)(C)C 808594207 FSEMIYBSSJRDCH-OAQYLSRUSA-N 445.476 0.797 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[C@H]1CCCO1 809309921 PSBCWFWNABPQTF-NWDGAFQWSA-N 431.440 0.893 30 20 ICED Cn1c(C=Nn2c(S)nnc2COc2ccc(F)cc2)nc2c1c(O)nc(=O)n2C 920374887 CFMQMNMNJDOTCX-UHFFFAOYSA-N 430.425 0.853 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)nc1 1115968644 QBUFEXIISXPRKP-DOTOQJQBSA-N 431.518 0.074 30 20 ICED Cc1nn(CCC(=O)N2CCO[C@@H](C#N)C2)c(C)c1CCC(=O)N1CCO[C@H](C#N)C1 1254339519 YKENDKOYAMUJDC-MSOLQXFVSA-N 428.493 0.325 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1313989191 ZCISMZAKAYWBJG-UHFFFAOYSA-N 445.549 0.119 30 20 ICED COc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC(F)F 1341899104 QIPSWIALLBKPPS-LLVKDONJSA-N 432.401 0.885 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1499329854 TYIBRVZHLXUUJD-PGRDOPGGSA-N 439.520 0.510 30 20 ICED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503806484 KJDOTHOVQPGZAW-UHFFFAOYSA-N 438.536 0.746 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1653604139 YIEOLGCWTYJDLB-INIZCTEOSA-N 425.536 0.254 30 20 ICED CCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1660518723 XMCMRPQLYGLIBL-QGZVFWFLSA-N 439.607 0.861 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1694740216 KNFITAKJVHFMSE-MRXNPFEDSA-N 434.526 0.125 30 20 ICED Cn1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)n1 1696862618 SUDPLPLJYIMOGB-OAHLLOKOSA-N 426.506 0.975 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3CCS(=O)(=O)CC3)CC2)c1C#N 1707807837 OECHNYGVDLYFGZ-UHFFFAOYSA-N 432.554 0.652 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1711287611 ZHRBHQICJBIWIT-GOSISDBHSA-N 439.520 0.930 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1722486266 XCDMAVDNATXCAY-NEPJUHHUSA-N 432.344 0.756 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1729779779 XUSVMXSSWGYEAE-HRAATJIYSA-N 427.461 0.879 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1778973558 LRJUSAIFGIGMSA-QVKFZJNVSA-N 425.526 0.914 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1)c1ccccc1 1779190346 DUDOGORSWMXMAP-SEDAZVQISA-N 425.529 0.736 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C4=NNC(=O)C4)C3)c2c1 1779309606 MUEMDYWQOHXAKG-VGOFRKELSA-N 449.471 0.438 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779375938 PJQCBCKALAMOHR-RZQQEMMASA-N 426.583 0.575 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781788461 CZDIYOQHIDYDJA-LERMDLETSA-N 442.516 0.976 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1784147224 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ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)ON=C(C)C)C3)cn1 1796564302 ZCVLOOMSZDVYCK-NYCLONFESA-N 432.477 0.872 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797815483 QQWASCSQXGIRJQ-CUZGCRONSA-N 447.532 0.804 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1nc2ncccn2n1 1798495400 GRHIOIMYRSNXMA-QATCSFAJSA-N 427.465 0.905 30 20 ICED Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(F)c(C#N)c2)no1 1799322736 DUDZSCGCZMKAMW-VPTLXERWSA-N 427.436 0.764 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12 1800876987 OWSIAUXTYTVUJI-RCJHGTSTSA-N 438.488 0.837 30 20 ICED O=C(CCn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801393717 WYWBQADXHBPACQ-FAKDNFGVSA-N 429.502 0.758 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1803547763 BJEKFLHTWIBZMX-OGWOLHLISA-N 425.493 0.459 30 20 ICED 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1837394992 NGGCFFIJIAPUBP-HRAATJIYSA-N 434.493 0.128 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837400245 ASDVSPJLKBRGFC-QRWLVFNGSA-N 436.465 0.566 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nc1 1837524385 HDWMTZCXFOSXFQ-REWVYZQPSA-N 446.504 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837527780 WEDBBUCWMMITCR-LDEZXBAHSA-N 425.482 0.151 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1CSCSC1 1837570183 GJVGBXWLLQXYOF-BEFAXECRSA-N 440.591 0.790 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1838101470 PJJDYVJRXWRTFR-OAHLLOKOSA-N 447.623 0.729 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1C 1838951905 OSJKUJRCHPIKMA-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839173185 DIYDDDDUPDIDEY-QFIPXVFZSA-N 447.488 0.426 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839176513 SMRCPXRFPGUQRB-OAQYLSRUSA-N 434.493 0.308 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228584 ISLBOMAQCYJKEH-JTDSTZFVSA-N 431.555 0.358 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(-n5cncn5)c4)CCO3)C2)CC1 1839436197 HFYHRERMVZBSCO-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1839807697 FSGODNLFGJQKIP-HOIFWPIMSA-N 435.521 0.579 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)CC1 1839898027 ANZNTBOCZXBRQN-BEFAXECRSA-N 425.482 0.197 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1840042426 UZQAFFKGTJNCQK-QFIPXVFZSA-N 441.440 0.335 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1840044878 DXWDDIMCHIJTSU-JOCHJYFZSA-N 440.456 0.040 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2)c1cccs1 1840607340 AXFWDMSWEASRRZ-HUTFMMOKSA-N 446.525 0.836 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCC1 1840814569 RFCJUIJGUCPIER-HSZRJFAPSA-N 429.517 0.835 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842056519 XXQZQEDASOVKLY-AFNCTOJWSA-N 441.488 0.055 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOCC1 1847939189 CHDSMPQSEJAOMV-BZSNNMDCSA-N 436.553 0.990 30 20 ICED C=CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 24270938 UWDKKEKHPYFQBC-GOSISDBHSA-N 426.491 0.996 30 20 ICED CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C(=O)C1=O 108644166 LGQHNDJRXLRSIU-LTGZKZEYSA-N 435.506 0.129 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)n2)CC1 427082831 UTDDEQMIYHOLAG-FQEVSTJZSA-N 435.532 1.325 30 20 ICED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 437101852 YKYLYIHXOBYBHG-CQSZACIVSA-N 435.893 1.371 30 20 ICED CCn1cnnc1-c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446532210 PGSZYWQVOLNQGY-UHFFFAOYSA-N 425.493 0.978 30 20 ICED CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 447283037 OAXNFUSMCNJQAK-IIBYNOLFSA-N 426.477 0.819 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 460774300 BKGQJWKJIOZXQF-UHFFFAOYSA-N 445.549 0.996 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2-c2cc(C(=O)OC)n[nH]2)C1=O 476241999 NSZYIHIGHNXSQS-UHFFFAOYSA-N 425.401 0.456 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480950267 DTESURQLLHITJG-UHFFFAOYSA-N 435.465 0.973 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(c3ccccc3)CC2)CC1 484187684 HFUBKIZXNISGMW-UHFFFAOYSA-N 427.549 0.466 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486468250 KNYKCCAOVFLOCY-PMACEKPBSA-N 440.548 0.901 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CC1 491157512 YDIIHKNYNAJHTG-UHFFFAOYSA-N 449.939 0.863 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 501975920 CRFOFUFCPTUSNY-ZDUSSCGKSA-N 444.491 0.282 30 20 ICED C=CCn1nnnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 505837968 KKDUDPZVYPXLAL-CYBMUJFWSA-N 438.535 0.999 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 509445593 CRELRHDUJIDFSF-WXLSXGNJSA-N 434.588 0.434 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 512274949 FMNNTKFHFANRAL-DOTOQJQBSA-N 436.534 0.882 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1C 513360804 VQPMWCXYDFSKPD-UHFFFAOYSA-N 434.497 0.757 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 525777843 BTTIZERTQGFVTJ-UHFFFAOYSA-N 448.504 0.683 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 550732064 GGZNMZDSTPYOMG-UHFFFAOYSA-N 428.942 0.501 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2c1 553454297 ZEVQPZVZNQUEGJ-IRXDYDNUSA-N 432.502 0.404 30 20 ICED Cc1nc([C@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n[nH]1 558058392 WZELXQHDMWNHOR-ROUUACIJSA-N 435.488 0.608 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 589414807 BCNSROJXJUSGFM-HNNXBMFYSA-N 427.486 0.331 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 603987879 WHKJUEGGYBONCR-UHFFFAOYSA-N 443.525 0.747 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 609002504 VEADSDYJUBQLSQ-UHFFFAOYSA-N 449.439 0.922 30 20 ICED N#C[C@@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCN1Cc1ccccc1 609686450 JODCVXGZGGLHOX-FCHUYYIVSA-N 426.565 0.812 30 20 ICED N#CCN1CCC(NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 612596292 DNTHVSWFHCRVTG-UHFFFAOYSA-N 427.465 0.676 30 20 ICED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(CCC#N)CCOC 615257133 XCWTUQVZLITXGI-UHFFFAOYSA-N 426.495 0.663 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814545 VJEKDDJTEDBYPV-UHFFFAOYSA-N 436.541 0.700 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1cnn(CC)c1 732562852 LGZJOCJFOLURSN-UHFFFAOYSA-N 425.518 0.361 30 20 ICED O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)NCc1ccccc1 733887243 UFUQSZGVWPXZGP-DQRAZIAOSA-N 425.489 0.364 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1=O 740856263 PIAZLNQIEYHKIP-JKSUJKDBSA-N 435.525 0.736 30 20 ICED C[C@H](CC(=O)N1CCC(NS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503335 QOHUHQSVWMRMHI-GFCCVEGCSA-N 428.536 0.044 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C1CCN(C)CC1 743726842 VKYLYEBAKCXALX-UHFFFAOYSA-N 431.587 0.971 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(COC)cc2)c1=O 758071900 QFCWPCMGIHQONJ-UHFFFAOYSA-N 439.562 0.768 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(Cl)s2)c1=O 758090345 PYKQMRIZOQXBGF-UHFFFAOYSA-N 446.985 0.925 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 763710533 RTVUGCKOGYKCDG-CQSZACIVSA-N 426.433 0.591 30 20 ICED COC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 767679660 JISPKUCZJORRBD-ZDUSSCGKSA-N 437.474 0.180 30 20 ICED N#Cc1cccnc1NCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061289 GMJHSIRTMRTVQT-UHFFFAOYSA-N 431.478 0.603 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 781936976 JNLMFHSXGXVLPG-HEWTWTGNSA-N 439.538 0.549 30 20 ICED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 784550721 ZISAILRHHPITRM-UHFFFAOYSA-N 426.451 0.269 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(N4CCOC4=O)c3)CC2)c1 789568163 WGMPGLNVVZNLCY-UHFFFAOYSA-N 434.456 0.875 30 20 ICED COCCn1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 789747398 REFPONQIBZDJHX-QJOMJCCJSA-N 448.505 0.920 30 20 ICED C#CCCN1CCN(C(=O)[C@H]2[C@@H](C)CC(=O)C[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 791127431 PMDFNFFXBIQLHD-WWNPGLIZSA-N 440.588 0.553 30 20 ICED CCN1C(=O)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC)CCN2C1=O 802516389 PPQCZMFWOMIKBF-QGZVFWFLSA-N 439.476 0.848 30 20 ICED C#CCN1CCC[C@H]1C(=O)NCCN(CCN1CCCCC1)C(=O)[C@@H]1CCCN1CC#C 804590294 DBUQNRINIJKTRM-GOTSBHOMSA-N 441.620 0.612 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 916923290 KANMSIVJXAAWHR-HNNXBMFYSA-N 442.472 0.936 30 20 ICED C=CCn1c(=S)sc2c(=O)n(CC(=O)NCCCN(C)S(C)(=O)=O)cnc21 917198575 GFKQMTNWLUPIAR-UHFFFAOYSA-N 431.565 0.573 30 20 ICED Cn1c(=O)c(C(=O)COC(=O)COc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 919416602 HCJMBMXUASSSQI-UHFFFAOYSA-N 448.435 0.854 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)CC2)o1 1320911654 WDFHCKPGQLUJTF-AWEZNQCLSA-N 436.490 0.261 30 20 ICED N#Cc1c(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)sc2c1CCC2 1473264614 VSZIHHDJTNPXJE-CVEARBPZSA-N 438.575 0.524 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CCO1 1504724089 ZTZDRZCXQVTMCG-SFHVURJKSA-N 448.549 0.996 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1555555240 OPYGWRAVSNQCIM-HNNXBMFYSA-N 426.543 0.750 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CCN(CCC#N)CC3)cc2)CC1 1562329967 NRCNNJKRLHFRIZ-UHFFFAOYSA-N 427.553 0.960 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1659154915 GOHKTQARWGEWTM-GOSISDBHSA-N 428.461 0.148 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1695911216 XOVWDDRCDWHFGG-OALUTQOASA-N 444.584 0.403 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)(F)F)CCO1 1698493286 POHBNGXURPTMFI-AWEZNQCLSA-N 448.409 0.924 30 20 ICED COCCN(C)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730729012 UQFXJQJVVLGELO-GOSISDBHSA-N 425.541 0.880 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1769025662 VOZLVKHKEHENLH-VQIMIIECSA-N 448.553 0.523 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777935284 YJUWTYJRSZCUBP-DRDNUIKESA-N 442.476 0.702 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381661 WPOHSESEQOYXHJ-JOCHJYFZSA-N 445.520 0.443 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1778787350 FKKWANYFQLVFOI-OXJNMPFZSA-N 434.424 0.205 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccccc4C(=O)OCCO)C3)C2)CCC1 1780160485 NBHLKGCOYBZFHA-QHCPKHFHSA-N 441.484 0.973 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)N1CCN(C)CC1 1780180888 HGAWGLJPTIEKEB-XTQVGHSUSA-N 442.564 0.650 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)ccc1F 1780248508 FQDPFKFXEKVRMD-NRFANRHFSA-N 425.420 0.467 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(C#N)c1 1781177459 XILZAEZEJFZPHS-HTAPYJJXSA-N 426.473 0.075 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295575 OSNFIFHKUTVOMO-JOCHJYFZSA-N 430.480 0.984 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1781692563 YNMXCJOEKNQBRN-PEOGOYOCSA-N 435.521 0.361 30 20 ICED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCOCCOCCOC)C1 1782069334 SKMDBSOZXJCBMM-DENIHFKCSA-N 442.553 0.773 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782935415 HKWIUTHXOYCYCV-BNOLWBGWSA-N 447.532 0.608 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118018 HJRCLGCFWOJWSN-LBUQITIBSA-N 432.521 0.983 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3OCC)C[C@@H]21 1783528210 IMBMDYJIZSSYCJ-SMDJPQOOSA-N 442.516 0.932 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)CCO2 1783557358 LASCNJZJOZJQJX-GBXCKJPGSA-N 439.512 0.817 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1783918136 FLLIZUPAMJTMIB-WDSOQIARSA-N 427.892 0.963 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)CC1 1786698097 OSDJMIFGPHIGIP-DZKIICNBSA-N 429.433 0.040 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788639760 LPMGMIFCRCRALB-QAETUUGQSA-N 446.447 0.672 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575009 JXSVQEVKCGZUIP-VDNWNZSNSA-N 429.473 0.767 30 20 ICED 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429.529 0.718 30 20 ICED Cn1cnc2c1c(=O)n(CCCN1C[C@H](C#N)[C@@]3(C1)C(=O)Nc1ccccc13)c(=O)n2C 513979363 BNAHJVOQLOAZQG-RCDICMHDSA-N 433.472 0.169 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)cc1 520393883 FPDWRCZXGCGBSF-UHFFFAOYSA-N 428.470 0.569 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccsc2)c1=O 523477681 POQDZERYNRDTFO-UHFFFAOYSA-N 446.598 0.675 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2)c1=O 523744481 QYLISVWFRUNKRA-UHFFFAOYSA-N 431.514 0.221 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 539770091 PLRBYLIWEUCUTH-UHFFFAOYSA-N 428.489 0.405 30 20 ICED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C1=O 546902339 CRJFXWOHHLYLKP-UHFFFAOYSA-N 447.455 0.639 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 547417904 MAYMXNQFOZOGDB-OAHLLOKOSA-N 431.493 0.191 30 20 ICED CC(=O)N1CCc2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc2CC1 551148576 WKIRHRNTJPWLNA-UHFFFAOYSA-N 434.562 0.870 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 551497763 FCUHRPYLOOHSAK-WOJBJXKFSA-N 433.516 0.798 30 20 ICED Cn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cn1 553908861 AXXJXESTMYKZEJ-KSZYLEPESA-N 446.602 0.996 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 554360830 MVBVAQNWPPEAFM-AABGKKOBSA-N 425.533 0.986 30 20 ICED C[C@H]1CN(C(=O)CN=c2ccc(C#N)c[nH]2)C[C@@H](C)N1C(=O)CN=c1ccc(C#N)c[nH]1 559983121 AOOXWBOFYYYZTK-IYBDPMFKSA-N 432.488 0.036 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560052978 RWTOCENAHOWODZ-UHFFFAOYSA-N 427.486 0.953 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 566409839 UTEGYZSXNXMLEL-UHFFFAOYSA-N 443.441 0.450 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 578456716 QXFYGINXJPJLPV-UHFFFAOYSA-N 436.472 0.503 30 20 ICED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 578812337 BRTQFYBQGUKEMI-SFHVURJKSA-N 439.516 0.887 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 579895060 DOPAHRSYLBAMQA-OAHLLOKOSA-N 440.547 0.157 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159875 MEGSMVILRLJHQP-KRWDZBQOSA-N 446.511 0.959 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 609522533 XDEDYADHGYYVET-INIZCTEOSA-N 437.504 0.331 30 20 ICED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1 609739245 MZXPQLIQGVOQHB-UHFFFAOYSA-N 444.532 0.721 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CCOC3)CC2)CC1 611177625 JCUZKPVECWTPKE-UHFFFAOYSA-N 432.546 0.894 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(=O)N(C)C)c2=O)n1 682877421 VVMGTGXJUOUYOX-UHFFFAOYSA-N 448.504 0.788 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732909357 AFLLBFQZQCOWTC-AAEUAGOBSA-N 425.413 0.284 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758640921 JSXFUKFRXGUBMF-GJZGRUSLSA-N 430.527 0.855 30 20 ICED CCOC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759948598 NWKPLJFJAFGWAI-FZKQIMNGSA-N 437.518 0.978 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1cccs1 763446905 RNKSFODJTWUTIG-UHFFFAOYSA-N 428.539 0.624 30 20 ICED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 766592665 MJZRVUKIUVDYCT-RTBURBONSA-N 448.487 0.985 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 777287838 PGLDRIJUXCYPDH-UHFFFAOYSA-N 435.506 0.294 30 20 ICED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784199388 LMZUPTFHWYQSJL-ZDUSSCGKSA-N 436.490 0.161 30 20 ICED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785080558 FKQBYFUZPDDDHW-RNWAHURQSA-N 449.533 0.565 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O)c1cc[nH]n1 789957520 RXAGQYIFOYNFOD-LBPRGKRZSA-N 437.478 0.942 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 810172041 DBBXFTVIZKUHIZ-UHFFFAOYSA-N 428.470 0.660 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 819619410 ADFFGDRTEMYTIN-CQSZACIVSA-N 447.521 0.163 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 914855420 FSUJDHYFPZZEGY-ZDUSSCGKSA-N 426.495 0.757 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 920248309 CSBPYWZZSJBIBO-QGZVFWFLSA-N 444.435 0.902 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CC1 1288861354 ZGXZDOHTFIEKAZ-CQSZACIVSA-N 430.538 0.892 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)CN2CCN(C)CC2)C1=O 1318334081 ZIMJXUCGDQRDCQ-RHSMWYFYSA-N 446.577 0.489 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCN2C1=O 1554355384 RXVRAKPQXANUMI-OAHLLOKOSA-N 444.446 0.754 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1741703060 RLXWHTJEKYZKTQ-INIZCTEOSA-N 439.476 0.894 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1777985015 VXOPBNSTKHAFCS-PTOHSFHKSA-N 436.557 0.419 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1781060559 HXCJCNLTJGYVGM-SVQXRNPESA-N 448.520 0.754 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1781271223 GAJIMEJOZBKHQT-OAQYLSRUSA-N 445.451 0.821 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797678 WQJUQUFTMWTFOZ-VGSWGCGISA-N 445.520 0.699 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)N1CCN(C)CC1 1783126715 XASYIXSQECHGOU-DNVFCKCGSA-N 431.581 0.830 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783134001 RWQSJKQKMFOZCK-NFBKMPQASA-N 442.516 0.977 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1785422444 FOYRMGDSDPSCDE-PNLZDCPESA-N 435.521 0.600 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c1 1786649072 NFGULXPIOTWZKD-QZHFEQFPSA-N 433.530 0.952 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cnc(O)nc1O 1787431358 IRPYFMOFKPAVMI-XIRDDKMYSA-N 444.488 0.180 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cc(O)nc(O)n1 1787440588 ZUFCNBZXSGRSTF-ZOBUZTSGSA-N 444.488 0.180 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1788570523 XOXVLRWYFRTOBN-CADBVGFASA-N 435.565 0.942 30 20 ICED 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](O)C1 1789809141 BFMXEQLSAXGMPK-WOYTXXSLSA-N 436.509 0.108 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)C(F)(F)F 1790881728 NMYFVNGCAFGLFV-GVXVVHGQSA-N 440.382 0.129 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)[C@H]2C1 1791239044 YOQHYKABZUSCBQ-MILMJNAHSA-N 434.533 0.984 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1791472478 QUQZTJZVYNMJNK-FHWLQOOXSA-N 428.489 0.827 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C3)C1 1792441478 PPMLCCNFUQEAHZ-APAFKAMOSA-N 449.548 0.770 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)C1 1792968834 PTGSZLCHJCGWBE-BKZNIZDZSA-N 446.544 0.864 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)C2 1793344510 BCTHUNMNKPVGKW-XXFFEUEESA-N 445.491 0.572 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 1794113841 HYPTYVUAURTHBV-LORHWOILSA-N 443.504 0.398 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(-n4c(O)nnc4O)cc2)C3)CC1 1795412795 ZDLBJFORHKAJLF-MIFYACCESA-N 438.444 0.185 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1796444199 DNFDEUDXOZWLFY-TYUOGBFTSA-N 431.514 0.603 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796454072 WQBCFOAELDEZKF-ZKDOOGTISA-N 433.530 0.943 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1797700920 WZIVJIFBNOBXFB-LJGDNWOOSA-N 431.468 0.608 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(F)cccc2n1 1799997672 GEGRSYBTTUGYJF-KULPGCBOSA-N 441.463 0.535 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H](O)Cc1ccccc1 1800634590 LPOABDFDHLDNSE-MVXNGYAJSA-N 425.485 0.892 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1800992471 KKJOZSZOZSJHJC-ZMMAXQRCSA-N 437.537 0.655 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)cc1C#N 1801849002 UMAMQRVGMUXLRJ-XEMDLRDOSA-N 439.476 0.235 30 20 ICED C#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)OC)C2 1802124754 IRYNUCIMXZEDKF-YYIAUSFCSA-N 437.537 0.918 30 20 ICED CC(C)c1nc(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)no1 1804414908 ZZXBWEGALMEUKW-MGPUTAFESA-N 425.445 0.925 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807024520 XRECPBWMDMEOEU-YJBOKZPZSA-N 442.478 0.731 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812873734 FLOHIQKJNXMFCE-IIBYNOLFSA-N 435.440 0.843 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)[nH]n1 1814438206 QSYSHGYJFXKURD-MGSINWNPSA-N 446.508 0.411 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815766102 RCDIPHAMRLLHJZ-CABCVRRESA-N 432.481 0.983 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)c1 1817816338 FYTYGIWPDVPPFR-AWEZNQCLSA-N 447.419 0.355 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822703885 XMSAQVMTJMGSFX-PMPSAXMXSA-N 433.578 0.729 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674786 FSUUYBAUNPDRJF-GXTWGEPZSA-N 440.481 0.962 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1828882283 PBBSJCDYCAOVBX-IRXDYDNUSA-N 434.537 0.731 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCN2C(=O)OCc1ccccc1 1829154236 MTBQASJJECZDBV-JOCHJYFZSA-N 437.456 0.814 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831218958 LGLQUWKCUHABPH-NRFANRHFSA-N 429.429 0.784 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1831392815 PANCNBIFCUDMED-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831427068 SRLKUYCYVPLHOJ-FVJLSDCUSA-N 433.509 0.325 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1831433129 QOPUQMCCHUBXKO-KKSFZXQISA-N 435.525 0.694 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251393 HPQBUSWFDUVQES-ZANVPECISA-N 432.392 0.116 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1832544718 PWTUJLDFSUBYNA-JLHGSKIFSA-N 448.520 0.826 30 20 ICED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1C(F)(F)F 1833326204 KCVUVVNQNBYPIS-SFHVURJKSA-N 441.410 0.813 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)n3ccnc3)CC2)CC1 1833373779 OWEKXZMNWUGDIH-PYTPGESOSA-N 442.564 0.874 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833705319 DBOMKTMGXJVRQR-BTYIYWSLSA-N 438.500 0.511 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256864 VZRQQCATHGQDFJ-KHXXHPIRSA-N 438.506 0.742 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376220 FPDCMJPZDAIJCV-QGZVFWFLSA-N 437.654 0.656 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836589849 DIRPVJITSAKLIY-YADHBBJMSA-N 435.521 0.723 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868362 FIKJLDCRFBNECV-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836982235 MBNDETLDDQIQRV-HTAPYJJXSA-N 428.489 0.995 30 20 ICED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490366 AKQGZRLTSABSLV-QFIPXVFZSA-N 431.489 0.752 30 20 ICED Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531286 HJQSNLWPVUDRIA-ZQUFOJLJSA-N 436.465 0.582 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1837807511 PSJJKIWJBZXSRN-QGZVFWFLSA-N 426.627 0.941 30 20 ICED C[C@H](Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837872108 KGMODBUAAJFISK-INIZCTEOSA-N 428.489 0.969 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cccc1C=O 1838736357 ZRMAYUOXJSAMHJ-KSFYIVLOSA-N 439.472 0.832 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838742010 MEUCBJSUKQZDCS-IERDGZPVSA-N 426.477 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1839173890 RYLDIXKSBIBQTN-NRFANRHFSA-N 437.468 0.744 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485988 GSCYPXMELNAIOP-SIKLNZKXSA-N 441.488 0.521 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)C1 1839806660 VKSLMHJEUZJSNI-GSHUGGBRSA-N 435.521 0.769 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)C2)C1 1839810898 XJWDUSQNGMXHBF-JJEOQYAHSA-N 447.532 0.723 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839882673 RUPVSEWECSJZIV-HSZRJFAPSA-N 442.516 0.473 30 20 ICED C#CC(=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 1840018861 JAYPNQWMDOWOGP-QKZPVBNUSA-N 433.505 0.189 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccn1 1840162072 LIGRRDNRHZCEFT-JLTOFOAXSA-N 437.518 0.647 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1 1840351127 ZMMWBZZIUSUWRW-AVRDEDQJSA-N 431.537 0.787 30 20 ICED CC(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818322 WEVNXRXMBGFIOM-QFIPXVFZSA-N 431.489 0.818 30 20 ICED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)ccc1F 1845202686 ZNJDLCDZXMESRF-UHFFFAOYSA-N 435.419 0.488 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 1847939535 GAEPIRPXKHOLEZ-QYZOEREBSA-N 449.596 0.905 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 409524223 XGHAJMNGGAFUEW-OAHLLOKOSA-N 430.552 0.728 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 428811798 KMLQXQZFSUZDAE-QGZVFWFLSA-N 429.502 0.413 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 430383626 HEVQBDVPARFXRV-NJAFHUGGSA-N 427.567 0.937 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 430410892 XXZZQGVNTCVICD-GJYPPUQNSA-N 433.509 0.679 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)CC1 434924356 RKKPGHRQEMAYSK-UHFFFAOYSA-N 427.509 1.052 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1C 437332588 NKJGTAWZUWYZMA-MRXNPFEDSA-N 430.490 0.579 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2scc(C3CC3)c2C(=O)OC)CC1 440436035 UCGSTIMRFUSYEY-UHFFFAOYSA-N 434.518 0.797 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCOC1 441920269 CQEAKNMUVZXHSC-AWEZNQCLSA-N 447.944 0.865 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCOC1 441964529 VZBVUVLGFXEAAB-HNNXBMFYSA-N 447.944 0.865 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1CCN(c2ncccn2)CC1 462018828 YPAYGUPUYNXFDQ-UHFFFAOYSA-N 432.492 1.181 30 20 ICED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 477520749 FPZOEXZWOYTRTA-UHFFFAOYSA-N 449.938 0.883 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)n2)cc1 494615083 VLKORFBCAYNXDV-SFHVURJKSA-N 435.488 0.998 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2ccc(CC#N)cc2)C1=O 507779144 NXEHDXRKXYAFQT-PGRDOPGGSA-N 447.455 0.935 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)cc1 511985491 CIOQWOBBMOURRX-UHFFFAOYSA-N 429.483 0.963 30 20 ICED CC[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)N1CCOCC1 513245603 ZNWALCKDUYXUDO-OAHLLOKOSA-N 428.424 0.575 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)ncn1 516121789 NMWZYLDSIFGSDC-QGZVFWFLSA-N 428.518 0.974 30 20 ICED C=CCN(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 523064476 PBHITCPWEPCZBF-GOSISDBHSA-N 426.560 0.732 30 20 ICED CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc21 526097611 CVZYYPBKJGHUIZ-UHFFFAOYSA-N 438.492 0.985 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 539006422 SQEOMLZMDRXKPC-UHFFFAOYSA-N 439.432 0.480 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1C 548289602 JIKVZXZAIGWTOP-OAHLLOKOSA-N 425.510 0.429 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 555240492 KSCNLVHPSNCRAX-KRWDZBQOSA-N 435.554 0.886 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC(=O)NCC#N 557783984 IUYWVINUOAEWAJ-AWEZNQCLSA-N 431.312 0.508 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3cnccc3C#N)CC1)OCC(=O)N2 559062342 SJHSGNBPBHVASN-UHFFFAOYSA-N 429.458 0.804 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 568691775 SNPTXSXELFUYHN-FPOVZHCZSA-N 442.541 0.836 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)Oc3cccc(F)c3)CC2)c1C#N 573950050 IQYGMLYOPQWISB-CQSZACIVSA-N 428.468 0.972 30 20 ICED CN1CCN(C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 574849830 XOBVKTCYXCBALM-OAQYLSRUSA-N 441.557 0.941 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 584244771 YUISJHQFMYVNJR-UHFFFAOYSA-N 425.501 0.051 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCOCC1 586845806 GHZLVJBEHGBJPX-OAHLLOKOSA-N 430.509 0.157 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 587687932 CHXOWLVKEXPBNC-IAGOWNOFSA-N 429.521 0.421 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604270405 YCHLDHDZRFQHGU-UHFFFAOYSA-N 438.553 0.686 30 20 ICED Cn1c(=O)c2cc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cnc2n(C)c1=O 608994581 NRUYLHMEZBNWNU-UHFFFAOYSA-N 434.460 0.689 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCCSC 610244871 KCKCJSUTVAKOFJ-UHFFFAOYSA-N 428.539 0.792 30 20 ICED COc1ccc(NC(=O)CN2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615642697 ZWJYPTMYYCWVOL-SFHVURJKSA-N 426.470 0.592 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C 684535096 HIBIMDIJBWZALL-UHFFFAOYSA-N 442.541 0.910 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)CC1 728531754 PBVPHKHPSJPOAX-UHFFFAOYSA-N 429.502 0.733 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c(C)c1 729672970 ATIJHSZVWIICLH-UHFFFAOYSA-N 445.566 0.353 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 729765870 HKOXNNOHLLNXCO-UHFFFAOYSA-N 427.435 0.174 30 20 ICED N#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 730503617 IMMHZRMOYSDXDV-MRXNPFEDSA-N 432.502 0.728 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 747279282 UXFYIHJCNPSNAN-UHFFFAOYSA-N 430.933 0.913 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N(C)C(C)(C)C#N 749956103 DITUMMLFFQCWEF-JOCHJYFZSA-N 442.472 0.916 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)cc1 760397502 WFGVXSIVJRIAHN-SPZKXHQHSA-N 432.449 0.570 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CN(S(C)(=O)=O)C1 779330871 FBHQYZDPAWNXLX-HNNXBMFYSA-N 442.563 0.292 30 20 ICED CCn1c(N2CCOCC2)nn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1=S 788044282 MBUXMJYLNFDOJX-UHFFFAOYSA-N 431.570 0.964 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccsc2Cl)c1=O 790423032 VJJSNBBGZPNFGG-NSHDSACASA-N 441.962 0.925 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccsc1 790437482 IEDPAVJJGRQRJX-UHFFFAOYSA-N 432.552 0.991 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794641079 CJGZQJRMCOSSPG-HOCLYGCPSA-N 428.514 0.179 30 20 ICED Cc1[nH]c(C=O)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 801411872 RYYCSNDHVQOLPK-UHFFFAOYSA-N 444.469 0.697 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 803307023 ZDJRCYOXEYQTFZ-GOSISDBHSA-N 443.548 0.147 30 20 ICED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808035500 AUYZFVXUTGMYCG-AEFFLSMTSA-N 442.520 0.975 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(COC)CCN(C(=O)OC(C)(C)C)C2)CC1 810352868 YFEBJKLMFTUABV-QFIPXVFZSA-N 436.553 0.544 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 812275835 DEGHNWBQOSHTNS-ZDUSSCGKSA-N 432.424 0.754 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)ccc1F 914657787 ZQZDXPKQISTSFD-LBPRGKRZSA-N 441.481 0.559 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 915069483 PAJSSRNLVAUWSK-HXUWFJFHSA-N 426.454 0.905 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(=O)n(-c4ccccc4)n3)CC2)o1 915386998 XRNHFTVIGWUFCZ-UHFFFAOYSA-N 448.439 0.906 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 916775020 KOQXSMGEIAQZPX-UHFFFAOYSA-N 428.382 0.709 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 917018483 OGWSDJLRCXIWNC-OAHLLOKOSA-N 425.445 0.900 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1=O 917452743 LWEAPIDGIMTUDZ-UHFFFAOYSA-N 425.489 0.268 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 917768804 NKMAAPJEGAHNMI-UHFFFAOYSA-N 434.499 0.651 30 20 ICED N#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1171874675 OKCNXFWBGVNXMV-INIZCTEOSA-N 432.502 0.682 30 20 ICED CC(C)CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1303004656 VXEWJWDIYFWWKH-MPGHIAIKSA-N 428.559 0.804 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1505145276 LWQJCNLQLNIIOQ-MRXNPFEDSA-N 429.506 0.177 30 20 ICED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1515841349 AVDGTHRGSOHTIU-IKGGRYGDSA-N 439.586 0.691 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617431488 FSJQZJRBQPVFGC-LQSAPBONSA-N 440.595 0.125 30 20 ICED COc1ccc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1Br 1662030221 ZAIGQIDJTLOFSM-KBPBESRZSA-N 448.339 0.667 30 20 ICED Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1711269373 KGQOCGSIMAPJJI-UHFFFAOYSA-N 441.521 0.512 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726778062 LDAQBHWPFLDOQX-MGPUTAFESA-N 447.517 0.503 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1741057075 ZFOALUOMKPXPLJ-LJQANCHMSA-N 436.520 0.292 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)COC1 1751278239 UIKXMIQEZFPDRF-MAUKXSAKSA-N 438.554 0.778 30 20 ICED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1763103182 MRYIPCKPEQESEF-HXUWFJFHSA-N 430.534 0.588 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1764581033 LJJVNJYQHDZHTG-OAHLLOKOSA-N 425.493 0.922 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)ccc1F 1780755934 SKNIBXFKBBUDGK-GEQKSPFYSA-N 442.491 0.890 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780803306 GTBZYKWORYGOHP-UIVXKWKOSA-N 425.530 0.748 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CC1 1780935148 DVXIOLHMDNOGAY-FQEVSTJZSA-N 429.502 0.025 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c(C#N)c1 1781174716 PZQDNQGNRWOHHH-HSZRJFAPSA-N 435.484 0.972 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781853685 OLWCSYHHPDYYSA-UWJYYQICSA-N 441.525 0.642 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)CCO2 1783055458 ZYPDPXLZPLVUKC-JOCHJYFZSA-N 443.504 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3N(C)C)C[C@@H]21 1783530038 BFAFYAMNHABAJP-UYBBGVAXSA-N 441.532 0.599 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783917671 YBGLLGVQFGGLRK-SZMVWBNQSA-N 438.933 0.716 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784196931 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WXEGNVYMUXOTMR-CVDCTZTESA-N 449.548 0.942 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838681093 YYIAILOJBPAQHO-CHKZVEJASA-N 435.481 0.317 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4Cc5ccccc5O4)C3)C2)c1 1838737096 HOSGKXBTKFWVNL-NFBKMPQASA-N 436.468 0.960 30 20 ICED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737842 AMZWJLMEMFIWTP-JOCHJYFZSA-N 439.472 0.982 30 20 ICED Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741873 FSMNXSKWRRKBOQ-QFIPXVFZSA-N 440.504 0.942 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)cc1 1838950182 MWLHVQGJMUKJQL-OFNKIYASSA-N 435.484 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1839173127 BDZVSRWOSDBTPQ-XMSQKQJNSA-N 438.521 0.911 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839173283 HPAVDIXNVSADEY-OAQYLSRUSA-N 434.493 0.308 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185981 UVXNRRLTYYNPAO-AOMKIAJQSA-N 433.480 0.979 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759621 CDSGHJXHDFZLTE-OAQYLSRUSA-N 438.521 0.769 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840169277 UXQOMNSPWZFAJK-JOCHJYFZSA-N 432.565 0.026 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840242360 QKWVMASKXVCRSC-XDHCZCDFSA-N 429.876 0.226 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840293731 SOMXVLLIZWCTSC-QFIPXVFZSA-N 428.489 0.670 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840293865 ZISRCVMDJTYDCJ-QFIPXVFZSA-N 425.489 0.993 30 20 ICED C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840393600 VXTNUFLIQIJLBW-MGPUTAFESA-N 433.486 0.107 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840483183 VIHKADNWJRQPSX-YVABFXQFSA-N 442.472 0.376 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487808 KXSZIUWTVXPREZ-GQANSBOFSA-N 431.493 0.747 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1840758937 IFBVYXYZHDGEGQ-ORAYPTAESA-N 439.490 0.992 30 20 ICED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816087 OMENVULYEUXUKN-JTSKRJEESA-N 428.489 0.999 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(C(=O)OC)cc1)CCO2 1840958858 FRYUEDISQRCTFN-QHCPKHFHSA-N 444.484 0.722 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840960829 VHARHSBPEWVQKD-NRFANRHFSA-N 438.525 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1841055858 ZRGFFHBZTGZEOB-SQGBVDNOSA-N 434.496 0.958 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084976 SKRODCTWTJVOSB-HNNXBMFYSA-N 433.513 0.736 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662090 YOUZBNCUVQWCKW-UHFFFAOYSA-N 434.474 0.514 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 429784117 IVVSOEDXTHWFJE-UHFFFAOYSA-N 440.489 0.412 30 20 ICED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS1(=O)=O 429880457 BTIOLHFCUOZIOS-GFCCVEGCSA-N 435.893 1.371 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2)cn1 462004800 IPWSBHVMNBSGNZ-UHFFFAOYSA-N 444.517 0.918 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)CC3(C#N)CC3)cc2)CC1 463351947 AADPYZXHTONUBU-UHFFFAOYSA-N 434.562 0.995 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 470839614 GGAYIFOILQYQDA-RBUKOAKNSA-N 447.517 0.764 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)nc1 474325604 GHHFXKRKUIKENN-UHFFFAOYSA-N 445.504 0.483 30 20 ICED CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476682584 DUHYJUBUFCYKDE-RTBURBONSA-N 449.515 0.860 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCSC 479355967 DAKLBORNWXKYHF-UHFFFAOYSA-N 448.570 0.332 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC 480222893 SYHZTDOJVGHJNZ-UHFFFAOYSA-N 430.486 0.884 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(C#N)cs3)c2=O)CC1 481973605 QHRPIOPWMDFAGA-UHFFFAOYSA-N 439.566 0.891 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CC1 491039236 SPDLLRVAONPZNZ-UHFFFAOYSA-N 429.521 0.139 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 519899038 UJJSUDDLXOKVDV-QGZVFWFLSA-N 429.496 0.527 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O 524281252 NFDGXFPTAFZWGG-LBPRGKRZSA-N 427.482 0.300 30 20 ICED N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)C2=O)cc1 533495712 YJOXNNCENOYTSV-MRXNPFEDSA-N 443.485 0.362 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 535789242 CBBRBTXXZDFSGD-UHFFFAOYSA-N 432.506 0.399 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1ccccc1 554625254 VWNOJTWJQFZXHH-APWZRJJASA-N 432.484 0.912 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCO1 559220670 WFGXSMFXCZXMGV-AEFFLSMTSA-N 426.477 0.716 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 561548432 YEGDSCURVLZVQH-INIZCTEOSA-N 443.895 0.830 30 20 ICED C[C@H](O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C 561788306 OURFIDYKCJQJLA-XYJFISCASA-N 431.512 0.696 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 564735812 XJEQCSRKFCZWHE-JKSUJKDBSA-N 436.871 0.946 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 569274198 DUCYBUWTPNRTMS-TXPKVOOTSA-N 427.505 0.001 30 20 ICED C[C@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 581553110 BVRDYZIOGLMZBM-KDOFPFPSSA-N 431.456 0.910 30 20 ICED N#Cc1cccc(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 603640506 RQANOHORVWKIKU-UHFFFAOYSA-N 449.558 0.525 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 609085468 FTOHLLBGENUSNG-UHFFFAOYSA-N 435.387 0.048 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 610004084 XMDIVBRFAWHVPB-UHFFFAOYSA-N 427.526 0.909 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H](C)COC)C1=O 726404269 VCQCYMYZDAOXKC-ZJIOEOEOSA-N 442.563 0.553 30 20 ICED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727165408 ZYMQULWHTWBELN-UHFFFAOYSA-N 442.522 0.794 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1=O 733183637 JBEXSBNYNLXQGQ-HOTGVXAUSA-N 435.525 0.831 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739154767 DSJXAUSYGNRVOM-OAHLLOKOSA-N 435.440 0.588 30 20 ICED CN1CCN(C(=O)Cc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 746152446 IRYTXLYSKKLWBK-QURGRASLSA-N 425.489 0.858 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)s1 746394542 FUVAYIJIGFHWIC-UHFFFAOYSA-N 438.535 0.796 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 755310603 SDPCJLLEYBZJQF-WMQDPJMESA-N 435.481 0.145 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(F)cccc2F)c1=O 758060727 KRGYJCIOHYVROI-UHFFFAOYSA-N 442.491 0.488 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 758079929 WHDCVUWDMAFROH-UHFFFAOYSA-N 445.928 0.861 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)n1 758539804 QBAIDKVPQSXEMT-KKUMJFAQSA-N 431.497 0.974 30 20 ICED COC(=O)c1cn(C2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)nn1 758962530 LNLXRVFMIKFSFQ-OAQYLSRUSA-N 437.460 0.998 30 20 ICED C#CC[C@@]1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 764041424 JTMXAGPCCLGFSW-QHCPKHFHSA-N 448.564 0.782 30 20 ICED CO[C@]1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCOC1 764455378 ZNFMGJHYILGQKB-QZMYASAMSA-N 438.506 0.360 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1Cc1ccon1 767959511 RPFYFSXPMDVELQ-UHFFFAOYSA-N 442.497 0.812 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CCC1 771077889 NCXIFCODRQJWOM-UHFFFAOYSA-N 426.520 0.622 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ncc(C4OCCO4)s3)nc2)CC1 773020249 YBZFLPLMCPHGCU-UHFFFAOYSA-N 438.535 0.966 30 20 ICED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)c1 794583422 AIUWFYLBUAJZEI-UHFFFAOYSA-N 435.527 0.826 30 20 ICED C#CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 798805370 WVQWMMHVHRAIME-UHFFFAOYSA-N 429.502 0.512 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 810116232 IYOPEQYJMVFUKK-UHFFFAOYSA-N 436.515 0.072 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccon1 814250249 JWZURNOLIUTNHP-UHFFFAOYSA-N 448.455 0.435 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)NC(=O)NC2=O 823619579 KGNOEHNGOYGZFC-AWEZNQCLSA-N 447.517 0.340 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(CC(N)=O)CC1 880165040 KJEJWCCOYXONTL-INIZCTEOSA-N 435.550 0.206 30 20 ICED CC(C)(C)NS(=O)(=O)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 914764722 LGQVXCFVPUWZQR-UHFFFAOYSA-N 430.552 0.339 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915777222 CKMSAWGHYSOJPV-UHFFFAOYSA-N 442.501 0.927 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917425468 BBWJNMFGNUVIMD-HNNXBMFYSA-N 446.485 0.780 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc1 920363902 JXESALHHGITYDM-UHFFFAOYSA-N 434.482 0.244 30 20 ICED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)n(C)c2n(C)c1=O 920603937 DUFHEOOPTDHEGV-UHFFFAOYSA-N 429.820 0.896 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1301898313 DJFVQSQSPXEEOA-WIYYLYMNSA-N 426.477 0.309 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1319895149 QFUUZRUFECANTA-GOSISDBHSA-N 428.518 0.487 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1547573479 YYPGRKDHLMUXGE-SFHVURJKSA-N 441.533 0.628 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1653604140 YIEOLGCWTYJDLB-MRXNPFEDSA-N 425.536 0.254 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1723590884 NMODXLGCXRHPSM-IERDGZPVSA-N 448.547 0.801 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1749547178 LOPPAMAKNZUXCV-PBHICJAKSA-N 434.522 0.606 30 20 ICED CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1750180671 LZBQXJBCJLDRGA-KRWDZBQOSA-N 431.518 0.982 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1769442649 ODOSJZJKUNIBQD-VGOFRKELSA-N 440.504 0.795 30 20 ICED O=C(/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2)NC1CC1 1778831968 NLRJUFRXOXATMW-BVIYJERESA-N 434.493 0.180 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1779313311 OABKRVCBUHSMGF-OFGRBQKGSA-N 449.529 0.468 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779333048 UIYBTPLHSIRRLU-YZZKKUAISA-N 431.533 0.935 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779395304 URXXRGDGKFRJJW-WIYYLYMNSA-N 429.521 0.491 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnc(O)[nH]4)C3)C2)c(C#N)c1 1779645582 MIGPYYRFGSDZET-NRFANRHFSA-N 425.445 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780022347 FQOYXWAJNLGDKY-YOXWTLATSA-N 428.445 0.112 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180789 PYXCFXXCKCNRAR-OXFYSEKESA-N 433.465 0.078 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1781664454 VTBZFMCKOMYSDO-DYESRHJHSA-N 447.419 0.878 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)N1CCN(C)CC1 1781965809 XTXNKNXQZGHBEA-GAJHUEQPSA-N 443.523 0.777 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c(Cl)c1 1781974819 PNYIXUHXNHNCNL-NRFANRHFSA-N 441.875 0.912 30 20 ICED COC(=O)c1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)s1 1782013766 IBOKYCUGELVNKF-IIBYNOLFSA-N 448.497 0.679 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1ccnn1 1782763897 LNUIEVGEJPUMOL-LHSJRXKWSA-N 434.460 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783337203 NGMXVFAXMKRASO-SFAKIEOFSA-N 427.501 0.278 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C[C@@H]21 1783531830 ZMHPUPSCNGXXQD-CDMDZWAHSA-N 430.549 0.165 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CC2 1783565505 LZGGOBPKWKLFCB-UZUQRXQVSA-N 426.469 0.718 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1785375463 BAPFBMNKDIKFAT-OAQYLSRUSA-N 428.445 0.219 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1785680006 KFQFBOPEDJXRCC-QRFRQXIXSA-N 445.541 0.633 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859995 ORBOBKHULCGVMG-QZWWFDLISA-N 438.525 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nonc4c3)[C@H]2C1 1787878562 FVSHZYTWUFZKIU-GRNXDFJHSA-N 439.472 0.675 30 20 ICED 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)C3)[C@H]2C1 1788121843 DJWOLOZWZSUWPZ-XEZGLNCPSA-N 449.548 0.654 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnncc4C(=O)O)C[C@@H]32)c1 1789511148 GOIIJWGQEINTSW-SNRMKQJTSA-N 435.440 0.954 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3C)[C@H]2C1 1791568466 GIECIYXSJBWLRL-GRMGMVGISA-N 443.548 0.810 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)n1cnnn1 1791684853 ABLIZSDZYHBMCY-OPEYRRHPSA-N 444.517 0.714 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2 1792490355 XQOYGOJOICQPQG-VQNZHGJDSA-N 435.484 0.691 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1793353707 ODBBMXWPQOVHSA-VYCZESIESA-N 436.530 0.884 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O)c1ccc(O)cc1 1793433427 KQMDILNYRZYXHA-UZTVYRAPSA-N 441.528 0.990 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnc(O)nc3O)c2c1 1796349489 URZJECPDGQVLQL-DRXBFXEBSA-N 449.427 0.153 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796979793 YHJVKSHYHZGTIO-DFYYWFRZSA-N 442.516 0.671 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797103162 YJDUEONFNTYYGH-CCWDJLKJSA-N 446.467 0.187 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2 1797808505 IRBBPLQUWOTYMF-WQTILXGZSA-N 437.884 0.862 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1802125520 YARJDKDTZWWKAU-FQLMCAECSA-N 449.533 0.658 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1808369795 QBTKJVFKESGSQX-XLRDACQESA-N 431.493 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1824495465 WJFPKYSJSPDOGG-RDJZCZTQSA-N 427.505 0.847 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1829904815 XJZALYAHDGVJBM-HSZRJFAPSA-N 436.468 0.504 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCOC4)C3)C2)cc1 1829908101 BCRFWIVOPHSFHH-OFNKIYASSA-N 427.501 0.984 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)COC(C)C)CCO3)C2)c(C#N)c1 1830017861 AOLQQQSFXFGICU-HSZRJFAPSA-N 445.516 0.991 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469562 BLJZJHDJWRAQMJ-ZHRRBRCNSA-N 447.919 0.673 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)c1ccccc1 1831143647 MUBYYNJBDCMMSE-HSZRJFAPSA-N 442.516 0.765 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831413675 FAEDTMAMKCDDRK-LJQANCHMSA-N 439.538 0.336 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1832917150 GHVAIRGNPXVTEX-OTWHNJEPSA-N 449.596 0.809 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1834346205 GOIDKLZOZDAHKQ-XXVAPRDTSA-N 436.465 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)[C@@H](C)CC)CC2)CC1 1834681120 CQMBLTHALKFUOF-MIPIJZKVSA-N 433.597 0.790 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834848233 KYJWRNXZUZAEHK-JOCHJYFZSA-N 429.473 0.510 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C)CCO2)C1 1835148532 LZXMUUQBLSEOHI-WMZHIEFXSA-N 430.501 0.869 30 20 ICED CC(=O)Nc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1835263696 FORKINPTIHXTQR-UHFFFAOYSA-N 441.488 0.313 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1835674982 IBGUFUIAFDGMKZ-NRFANRHFSA-N 433.484 0.573 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H](N)c4cccnc4)CCO3)C2)CCC1 1835838107 KJBBGIWPEWKMMQ-AVRDEDQJSA-N 427.505 0.622 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1836859551 NJTQRRPIYZHFGC-GCJKJVERSA-N 442.560 0.988 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837305411 XNBXISVBMMSGJH-VGOFRKELSA-N 440.504 0.963 30 20 ICED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918064 CEEGERIBJJNEHI-UHFFFAOYSA-N 440.504 0.833 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1839176148 YHCACZOFRWZOEU-JOCHJYFZSA-N 438.521 0.911 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839223343 SQQVEPIDAWVXIQ-NQIIRXRSSA-N 435.525 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839920153 FTHQIJXCYIBIKT-SWLSCSKDSA-N 427.712 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839956300 MCLGERQNASHIGG-KKLQWCBXSA-N 430.501 0.085 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@](=O)c3ccccc3)C2)C1 1840162924 AOEXUSNVJDRWMB-OOPXKIKASA-N 440.587 0.957 30 20 ICED CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840309826 LMODYMZVYBOXAQ-QFHXPBCISA-N 425.482 0.522 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1846213422 GBOSVFLFLDWNHG-OLZOCXBDSA-N 429.539 0.965 30 20 ICED COc1ccc(CN/C(N)=N/CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 303878243 JCMRVALBXSYJCN-UHFFFAOYSA-N 437.478 0.995 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 410410785 JPOYXWNDHYAMTF-UHFFFAOYSA-N 440.547 0.036 30 20 ICED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 440251973 DAVBWGROCDNCHY-ZFWWWQNUSA-N 443.547 0.561 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@H]1CCOC1 441929662 QTELVXRWTHUBJE-MRXNPFEDSA-N 445.516 0.660 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1C[C@@H]1CCOC1 441948820 DKCWFESHPZEAIA-HNNXBMFYSA-N 442.541 0.769 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446526469 KWIRVLNTXASABP-UHFFFAOYSA-N 426.470 0.242 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 461276988 IJZOHYZXSPLQBS-UHFFFAOYSA-N 447.538 0.971 30 20 ICED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1=O 467207292 NLVBNUHZZKCAOC-UHFFFAOYSA-N 426.498 0.742 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 486610251 GLGLVOBQYTZVEQ-HNNXBMFYSA-N 431.536 0.628 30 20 ICED Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 487789425 UTBOMXNCVCFPLS-UHFFFAOYSA-N 439.501 0.933 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 489233882 QUHUYUXCKMMETM-GHTZIAJQSA-N 425.533 0.919 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 500718304 LDEZXQKYPPJJJE-DYZYQPBXSA-N 434.250 0.754 30 20 ICED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508345412 DVNRRNZLIIUMNX-UHFFFAOYSA-N 439.476 0.929 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)CC1 512451307 YQZZOYNBFGUGMY-GOSISDBHSA-N 425.541 0.178 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 518105520 BMUPDZBOLXCGPA-UHFFFAOYSA-N 429.477 0.505 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)CC2)c1C#N 520295688 RNTPBMNFMVSKFT-UHFFFAOYSA-N 426.458 0.941 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)n1 520435632 BTIBLLVUBDGXBJ-UHFFFAOYSA-N 436.472 0.616 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)C1=O 522943354 JTHZMIDYSQBNHP-INIZCTEOSA-N 442.472 0.410 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 524281136 IFSBGGHCHNYCIJ-UHFFFAOYSA-N 447.582 0.886 30 20 ICED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543003126 FSJKBDWABACIKL-UHFFFAOYSA-N 430.852 0.651 30 20 ICED CN1CCC[C@@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 549841562 VEQXEFWWMHGXLA-JOCHJYFZSA-N 445.589 0.809 30 20 ICED CCn1c(CCC(=O)NCCn2cnc(C#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 552327165 OJHYMWFZQCKNFI-UHFFFAOYSA-N 444.521 0.519 30 20 ICED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 558075440 LWZBYXOBXPTANV-LSDHHAIUSA-N 443.460 0.765 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@H](C(C)C)C1 559003426 IBSSBBURMGVWKM-IRXDYDNUSA-N 426.587 0.964 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1cnn(CC)c1 569506570 FOSSIJDRFAAHEJ-UHFFFAOYSA-N 426.527 0.686 30 20 ICED CC1(C)COCCN1CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 578547649 ZMPNNYZBPJKKHF-SFHVURJKSA-N 427.505 0.002 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)nn1 579149058 LMGZKYKJYAHXSK-UHFFFAOYSA-N 425.430 0.815 30 20 ICED CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588127872 RYUPGOAMTYRRAD-UHFFFAOYSA-N 436.534 0.422 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C 604270165 QOUROVNJEHEOQN-UHFFFAOYSA-N 426.542 0.644 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 608884596 WNBRNRXBLOEGTF-UHFFFAOYSA-N 425.495 0.564 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 608890165 DVPXCDGWDQKRIG-UHFFFAOYSA-N 430.486 0.529 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 615256690 SWWIISBMNDVWTF-UHFFFAOYSA-N 431.493 0.410 30 20 ICED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 675101004 JAPNTBVKRZJHIY-UHFFFAOYSA-N 425.507 0.619 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 677462276 XEVOGBPUQODVOS-UHFFFAOYSA-N 441.506 0.364 30 20 ICED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccccc1 728086006 JBHINMSQEIAHHT-UHFFFAOYSA-N 429.454 0.658 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2csc(C)n2)c1=O 732663343 UBCRCPJLYLJIAT-UHFFFAOYSA-N 436.584 0.400 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H]1CCOC1 733718080 DSHFAUSCGAKOQF-OCCSQVGLSA-N 429.520 0.375 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(O)ccc2O)CC1 745071885 INGNAIYDNPJWPZ-UHFFFAOYSA-N 445.453 0.659 30 20 ICED C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 750552264 KYDNTZRJCUKPGV-CORAPOBDSA-N 436.530 0.887 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 753644962 HRTYXHSZYZPZOR-CYBMUJFWSA-N 429.454 0.881 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756302123 RXDTUACYQLPGGD-UHFFFAOYSA-N 434.396 0.936 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CCOC 758553909 AUSJNGFFOODCGU-UHFFFAOYSA-N 436.559 0.402 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)C#Cc2ccc3c(c2)OCO3)cc1 761211977 KKSGEOBDRGXBNI-UHFFFAOYSA-N 426.410 0.889 30 20 ICED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)C2 762514001 CTTURTRQCLJNIF-KQWNVCNZSA-N 445.505 0.380 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774531972 VNSVJRHDVLRZBT-UHFFFAOYSA-N 440.525 0.104 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)ccc1F 780135814 DSWBAYYJRCRFEM-DZGCQCFKSA-N 442.465 0.857 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 783481367 XGMBJTSNBYYMJW-CQSZACIVSA-N 428.894 0.953 30 20 ICED Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 785557439 CRTDIOPXLKZURA-HXUWFJFHSA-N 436.516 0.980 30 20 ICED C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCNc1ncccc1C#N 787756458 PMWWBRCEEHSNNE-SFHVURJKSA-N 435.532 0.808 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 790838277 HUFHDAIVRABJAO-UHFFFAOYSA-N 439.450 0.176 30 20 ICED C[C@@H](CC(=O)OCc1nnc(S(C)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 803371292 UFRZMBGQXZIWJV-VIFPVBQESA-N 444.516 0.502 30 20 ICED C#CCN=c1nc(N2CCO[C@]3(CCO[C@@H]3C)C2)[nH]c(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 804679854 KIPONNRAFWVLML-XWOARTFESA-N 444.536 0.107 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 895786321 RXJKSULKBUMZTB-ZIAGYGMSSA-N 442.494 0.636 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1=O 915206811 WYNYKXSQWXENQN-HNNXBMFYSA-N 430.461 0.068 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 919539956 MAFOMUFRLGRKMH-NSHDSACASA-N 439.446 0.035 30 20 ICED CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1299187431 UMGDEQRFEMOYKS-UHFFFAOYSA-N 425.493 0.638 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1299303826 XHDODMYRDYTRIS-AWEZNQCLSA-N 431.522 0.423 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1502730297 ZDGFVPNXBLHJSH-LVCYWYKZSA-N 432.525 0.917 30 20 ICED CCN(CCCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1515709008 VDKGQDGEOOTEPD-UHFFFAOYSA-N 432.554 0.851 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CCc2cn[nH]c2)C1 1519549331 VJUQIYGCZCCCLZ-KRWDZBQOSA-N 448.553 0.707 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1691009319 XFGHBAVEVCIIDE-INIZCTEOSA-N 445.549 0.975 30 20 ICED CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1696571791 VBVWJRACBLPXDF-QGZVFWFLSA-N 429.525 0.920 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)c1 1778262301 YEHPCYCVTHDXMC-HSZRJFAPSA-N 441.532 0.258 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)cc(OC)c4)C3)C2)CC1 1780172697 XIFNYNMDDNVIAW-OAQYLSRUSA-N 427.457 0.964 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780948779 JHECVVKTZVMQFV-JOCHJYFZSA-N 439.520 0.384 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949992 KHECYODNOQKOQS-VGSWGCGISA-N 427.505 0.675 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781302390 OOYVONRUDKZMQX-FQEVSTJZSA-N 437.493 0.504 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c([N+](=O)[O-])c1 1781413812 DQUICESLGYVBDU-HXUWFJFHSA-N 431.401 0.064 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)[S@@](=O)c1ccccc1 1782015368 MWCYOPLIVQSMBI-RSVSBSNESA-N 446.525 0.785 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567405 NBCWMPBHBXZSQY-UZQPLGKSSA-N 447.488 0.304 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4cccnn4)C[C@@H]32)cc1 1783606143 DFTQSJPETNIRHJ-UFYCRDLUSA-N 435.484 0.949 30 20 ICED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784373031 WCVAKFULEMGFEA-CAIZAGQASA-N 442.516 0.831 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784725127 ZORZIPQINXOCET-HYFFOGBASA-N 435.521 0.769 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541533 WAMQONHIBPSBOT-DJJJIMSYSA-N 441.575 0.250 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788565202 ZWLLRFVGKHTHOK-XWSJACJDSA-N 448.564 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788573352 SYVVCMKDHPQUSJ-LEUOFYLZSA-N 430.505 0.573 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4c(O)nnc4O)cc3)[C@H]2C1 1789273568 OZYSJXMKJSQMBV-MZGVZZPPSA-N 447.517 0.590 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1789809133 BFMXEQLSAXGMPK-SIRPWMCASA-N 436.509 0.108 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791076823 MHOJUHSZZZPJOQ-JYJNAYRXSA-N 449.504 0.311 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558654 HAIVCFPZOPFVGW-XUMLPFHTSA-N 433.530 0.371 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1792630380 QCIFPOQLTSSRLK-JFILPPLUSA-N 429.477 0.132 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1793570926 WEPAAUKTVKGELJ-MXASKKJJSA-N 430.530 0.568 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2[nH]nnc2C)C3)c(O)n1 1794489853 JZKKJPMQIFDFET-ZSBFGKGUSA-N 426.477 0.849 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)c1 1796399516 USBXDKGUMWKIAQ-MXNKGDRCSA-N 449.511 0.735 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743870 CNMROACKTMJHJT-DLUMSKLASA-N 437.541 0.572 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1797810996 DYAKSILICIWZJA-PDZBNPCASA-N 442.476 0.462 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1800022156 DVEUMAJOWBQORQ-YVSFHVDLSA-N 448.568 0.804 30 20 ICED COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cc([N+](=O)[O-])c1OC 1800820027 KQNGCKXSJDMECL-BTTYYORXSA-N 431.401 0.952 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)cc1 1802582361 YRGXCMYSGIMPTR-FKEBYFGASA-N 433.512 0.925 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1804126786 GULWMESHAWKBKB-MUJYYYPQSA-N 425.445 0.127 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)[C@@H]1c1cccnc1 1808440320 LFIUQWIZSDTILM-ABSDTBQOSA-N 446.504 0.660 30 20 ICED O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)=NN1 1810222388 IIHODPURUGHHAY-UWJYYQICSA-N 437.500 0.662 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1812621640 UBGZZABPTHXDNY-UGKGYDQZSA-N 426.517 0.922 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(c2)CCNCC3)[C@H]1c1cccnc1 1812881429 XIPVWHQXJYSFBX-MBSDFSHPSA-N 447.495 0.572 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452018 AMFOCUWCLYLDRI-WLNRYVJDSA-N 441.510 0.975 30 20 ICED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826013261 OPGPEUMZUCMRMB-GHMZBOCLSA-N 432.593 0.104 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1828888121 ACDNWQNMOQVTEM-PMACEKPBSA-N 439.597 0.466 30 20 ICED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)C(=O)C(=O)O 1829780690 ZNGHMZXNEWBHNP-KRWDZBQOSA-N 429.477 0.663 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)n3)CCO2)C1 1833332893 CIJVJFBMXVWHPL-KSFYIVLOSA-N 444.488 0.148 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833388330 YNEUMLBLVLGZTD-INIZCTEOSA-N 437.541 0.811 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594457 UWNJIXUYHOVWCL-ZJHLSYPMSA-N 429.429 0.422 30 20 ICED COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715868 OSBUAHBTMBQADS-UHFFFAOYSA-N 436.557 0.196 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768665 IUMXZORZBNPZFH-QKZPVBNUSA-N 448.520 0.469 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1F)CCO2 1834999204 CTMCCXYOJSSERG-XBKFQHLESA-N 445.491 0.683 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1)C(F)(F)F 1835844151 INEYRCUVFXHUHC-QGZVFWFLSA-N 448.486 0.828 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836886292 QDUYUTLOUKTRLX-XMMPIXPASA-N 445.479 0.851 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4ON=C(c5ccccc5)O4)CCO3)C2)CC1 1837293334 VESWGJJRFHHHHK-DENIHFKCSA-N 440.456 0.481 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837527733 UIOOZGAXOCLPOQ-ZISMNVMJSA-N 449.508 0.571 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837566718 IIJCRGWFNZZXBC-KQBANSRISA-N 445.432 0.705 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837906353 LDSWEQMATQUSDA-HSZRJFAPSA-N 445.491 0.989 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1838276073 HQEGUUBDIHBZSB-OAQYLSRUSA-N 426.477 0.566 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccccc45)C3)C2)c1 1838736980 DMYZJUJKDFKONC-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838909268 UPSWANQAQBJBNQ-DYRFGFBLSA-N 431.464 0.754 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953086 OLLZGUJEPDCEMN-FCHUYYIVSA-N 445.472 0.244 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186702 JUISXCLSGOCKNK-OAQYLSRUSA-N 442.451 0.139 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(=O)C5CC5)C4)C3)c2c1 1839486521 YPWCXHDOARBMFS-QFIPXVFZSA-N 437.456 0.484 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840293524 HBSBKCWVMZNRCV-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1840796986 WIEJWHMRDNZQNR-VGSWGCGISA-N 435.521 0.936 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3CC(=O)C3)CCO4)c2c1 1840834096 SEDULBNHHBXJCI-JOCHJYFZSA-N 437.456 0.484 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCn2ccnn2)C1 1846624402 MXGDUFXGGAXECH-INIZCTEOSA-N 430.509 0.788 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 26193461 CGYVPDGGLXCGAA-IAGOWNOFSA-N 435.550 0.858 30 20 ICED CCOC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 28720735 JUAIBKILLVRZSV-UHFFFAOYSA-N 448.545 0.666 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1OC 60893485 ACLNPXXENAGPDF-UHFFFAOYSA-N 436.534 0.772 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 410404189 VIJCSWRINAMWED-UHFFFAOYSA-N 439.604 0.078 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441960592 XMQCAGWBWFAHGV-CQSZACIVSA-N 426.498 0.686 30 20 ICED CC[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccccc1OCC(=O)N(C)C 444502427 OUTAFLFNOLEMRR-MRXNPFEDSA-N 426.477 1.470 30 20 ICED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 461760428 XKQXXQZIHKQSFJ-XJKSGUPXSA-N 426.520 0.007 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 464430570 ZTQXWQLGVXDOCJ-UHFFFAOYSA-N 438.487 0.392 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1C#N 471700745 LOYHQLPSLKHJLP-UHFFFAOYSA-N 426.502 0.735 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1 477152138 QVSFRARPOMBNRB-FPTDNZKUSA-N 442.439 0.781 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 480530427 SZZLAAUFWMQYML-GFCCVEGCSA-N 448.530 0.954 30 20 ICED C=CCOC[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 481769617 PWQGOFRBIOUOSD-LBPRGKRZSA-N 435.296 0.879 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 482860711 UYZXZGVUBCBVEY-DLBZAZTESA-N 447.561 0.380 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cc1 490695010 VAXSGUAAIGNJSY-UHFFFAOYSA-N 438.550 0.347 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 497515410 BWDLGRCNPLWRKQ-UHFFFAOYSA-N 430.477 0.708 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 503302139 MLPURVWJHNVQNA-UHFFFAOYSA-N 436.472 0.384 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)cc1 504487598 HLEMDUOOIGAVCY-UHFFFAOYSA-N 444.517 0.885 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(N)=O)C1 506898441 VKLRSJOKKQQFPB-CYBMUJFWSA-N 435.481 0.768 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 517344414 DRKJKENOCTVISB-ZDUSSCGKSA-N 440.489 0.240 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(S(N)(=O)=O)CC1 521969324 LQSCMVZEUACYBA-UHFFFAOYSA-N 447.311 0.446 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 531495620 NKSOTERRVQVCCC-QGZVFWFLSA-N 442.407 0.404 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCOCC 532419643 WGRXTAYXISVDGB-UHFFFAOYSA-N 430.530 0.769 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 538031410 CIRQRBNCXLXOCB-KRWDZBQOSA-N 437.504 0.819 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)nc1 539180734 OGUIVVHGUBZATG-QGZVFWFLSA-N 446.467 0.446 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 551191363 XGMWPAFYBGHXPW-UHFFFAOYSA-N 431.460 0.914 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1F 553078986 QATTYFRJFYKDTO-LLVKDONJSA-N 440.478 0.911 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 558239867 ZSDRBYQAXVHLIY-ZIFCJYIRSA-N 439.516 0.933 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 562140682 YYWAIOJXJUWVIV-UHFFFAOYSA-N 436.472 0.964 30 20 ICED CCOCCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1 562159605 YJOYZDNFGZKZHU-ICSRJNTNSA-N 442.564 0.855 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(C#N)c(OC)c2)c1 571132592 BXFJWSXGLSNOSX-UHFFFAOYSA-N 431.474 0.913 30 20 ICED C=CCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 572425397 HWSSCVQSCRPESI-UHFFFAOYSA-N 432.506 0.868 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)c1C#N 573144958 HFKOMXZBQXWAAE-UHFFFAOYSA-N 445.526 0.940 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)ncn1 581961680 KWYSONDHZICTNK-OAHLLOKOSA-N 439.524 0.392 30 20 ICED COc1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 582776298 QROXKHNXYRNPLJ-UHFFFAOYSA-N 438.423 0.951 30 20 ICED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 588870728 QRQOCKAPXWOZMR-AZUAARDMSA-N 434.500 0.600 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 588907509 OMEMYNXORUSFOO-KRWDZBQOSA-N 435.554 0.446 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 604219287 ZJBYQORQCSROBX-UHFFFAOYSA-N 436.472 0.999 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 610216588 SKWSEDWXEVSRIK-LJQANCHMSA-N 434.522 0.629 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C1CCN(C)CC1 610245119 UYFULDIFPSTYOE-UHFFFAOYSA-N 426.542 0.572 30 20 ICED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492454 DPRZHYFNZXZWDL-UHFFFAOYSA-N 430.417 0.315 30 20 ICED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 616129802 ATVKERGPVYPAGJ-RDTXWAMCSA-N 430.486 0.911 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 671866226 KUFQFRCLLILEAW-UHFFFAOYSA-N 431.924 0.926 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCCN(C)S(C)(=O)=O)C1=O 726112595 GFCWLJLILPKBHJ-XAIYEJPOSA-N 441.579 0.342 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1Cl 730407635 NECCMKYTBDKWOY-NEPJUHHUSA-N 445.906 0.052 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(CCN2CCOCC2)n1 731352643 BRQNDYYCOHULFR-UHFFFAOYSA-N 446.533 0.673 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 732704109 KURYJQLDDAKTDL-UHFFFAOYSA-N 446.327 0.127 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 750421615 XAIQCGPDVIZEMO-UHFFFAOYSA-N 439.471 0.432 30 20 ICED CN(CCc1cnccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 771230401 SPNLEYOXXAMVIZ-HKOYGPOVSA-N 444.517 0.929 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3N3CCOC3=O)CC2)c1C#N 788337985 FBHRYIUZRNJKBQ-UHFFFAOYSA-N 437.460 0.844 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)c1C#N 788338781 KDMCWKUMIDWNND-UHFFFAOYSA-N 425.424 0.929 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511165 GIVUKPNGZXPNLI-CQSZACIVSA-N 434.501 0.212 30 20 ICED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808036412 CZHSJRWMKRUFGP-WMZOPIPTSA-N 442.520 0.975 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 840190473 GKAUXIJTKDIKLX-UHFFFAOYSA-N 427.530 0.675 30 20 ICED N#C[C@@H]1C(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)=CC(=O)n2c1nc1ccccc12 917131287 VONOVDXDOVJUDP-QGZVFWFLSA-N 432.484 0.990 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@](C)=O)CC1 1288820517 ZXHGIPAVRXXLSC-CEXHIMGSSA-N 428.584 0.929 30 20 ICED CN1CCN(C[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2)CC1 1327834895 WSVYGBWXHJNHGT-HMDOMZECSA-N 426.521 0.801 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1465804941 ZDUPLCWKDKLHBX-GJZGRUSLSA-N 432.481 0.830 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 1569039655 UPCNJXRKJBIYSW-KRWDZBQOSA-N 439.563 0.644 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1620177206 WLMQKNPGHQFCGY-CQSZACIVSA-N 442.448 0.824 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CC(=O)N(C)C 1693750656 WKWVURZBDXTGQV-RDJZCZTQSA-N 439.524 0.985 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726808431 IRFAMTCFRZHADD-IERDGZPVSA-N 441.540 0.630 30 20 ICED CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1728203911 OJKFQPHXKSGOIY-CQSZACIVSA-N 436.476 0.447 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1750076674 QNXGMMCIDXESHZ-HZPDHXFCSA-N 439.586 0.691 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443635 OYDUQXMSYVYBIT-OAQYLSRUSA-N 425.493 0.455 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015073 PPRWMKZBSLPQJN-JTTOULFKSA-N 434.537 0.877 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779064486 AYVMFPHPQKSELT-JOCHJYFZSA-N 433.505 0.357 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c(C#N)c1 1781369848 OSBDTDXFNLWBMQ-WMZHIEFXSA-N 440.500 0.560 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782665856 BZKKVBQVAAFFAV-HOIFWPIMSA-N 430.505 0.621 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2)C(F)(F)F 1783202853 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TWSWDXNMDIEXTL-JOCHJYFZSA-N 430.480 0.863 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839661989 RTYLIYFYKAQZHU-JOCHJYFZSA-N 432.521 0.692 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1839846585 XXWMZHSLISEHFX-SIKLNZKXSA-N 442.553 0.725 30 20 ICED C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044105 LBZSUSKXTHZLJA-MGPUTAFESA-N 433.486 0.107 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c(F)c(Cl)c3)C2)C1 1840045183 VOLKLAWPKYJKQC-LJQANCHMSA-N 442.802 0.776 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1840160172 YNPHLFPWMZUFOM-ADLMAVQZSA-N 439.925 1.000 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840161569 TZTZLQMPWHJKBQ-XOBRGWDASA-N 443.566 0.628 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840173313 PKTGKJSAFGJFOT-QFIPXVFZSA-N 430.505 0.564 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840198578 GJLQCFXWPPGGBE-BILBAKPPSA-N 442.582 0.029 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1840478861 DKGPQZOFLJSZCP-HRAATJIYSA-N 439.476 0.184 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](S)C(C)C)C1 1841628524 FLDZDSAWUVQKDM-SFHVURJKSA-N 432.583 0.840 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842943918 OVGRMOQOWPHZAL-GJZGRUSLSA-N 437.541 0.252 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843858915 XAIOTMGSVOBVBP-MRXNPFEDSA-N 448.520 0.949 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022239 HEZNFTNUNSQTFV-OAHLLOKOSA-N 432.546 0.668 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 26350717 MCGVPWMHVJPVBM-MRXNPFEDSA-N 448.545 0.665 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 31806920 DDENTPVVAUQAHV-LLVKDONJSA-N 430.442 0.132 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 427281480 BLWXMJWBHMLLOR-AWEZNQCLSA-N 425.507 0.719 30 20 ICED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 434693535 GBEUUZFCXAGOIO-MDZRGWNJSA-N 436.534 0.744 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C2 434985416 IOXHLFBTZYKGPI-UHFFFAOYSA-N 435.492 0.321 30 20 ICED C=C[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 460229971 IEOANHLMYTUJNW-OAHLLOKOSA-N 427.523 0.951 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cn1 460595745 GAACSOBHLQEJDZ-UHFFFAOYSA-N 444.455 0.525 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460706806 RTWSJMFHODISEA-AWEZNQCLSA-N 442.443 0.476 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 465401943 HTSVBHSKJMZZSQ-AWEZNQCLSA-N 434.460 0.554 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)C1=O 474279112 VKECAQDVSNAAJN-UHFFFAOYSA-N 427.461 0.266 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OC)s2)c1=O 477452460 MSQRPPGNUNUBSU-CYBMUJFWSA-N 431.539 0.964 30 20 ICED N#Cc1cc(C#N)c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1N 494664463 JFLUSTVEJMCLCD-GJZGRUSLSA-N 435.531 0.694 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 503672812 IQSGPGAINHIECC-CQSZACIVSA-N 430.494 0.450 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 504661728 ICIOOAPPHXUQMR-UHFFFAOYSA-N 434.562 0.605 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506589742 GRUUZOMCZVJSID-DUVNUKRYSA-N 428.536 0.059 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 507278412 LNQVPYKUCBCGEP-PMACEKPBSA-N 446.573 0.875 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COCC2CC2)C1 508938866 NSYUBCNXUXBDNT-SJORKVTESA-N 441.554 0.429 30 20 ICED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508961315 MQIDXUVSUOTBNV-UHFFFAOYSA-N 434.464 0.250 30 20 ICED N#C[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1Cc1ccccc1 510098949 IYLUMDSJXKIQET-FCHUYYIVSA-N 439.560 0.936 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(CC(C)C)c1=O 512790377 LPZNSTYBXXOAHA-INIZCTEOSA-N 429.546 0.580 30 20 ICED COCCN(C(=O)CN1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 514787493 NVDYZOZWDXRZJM-INIZCTEOSA-N 438.525 0.481 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCC(=O)N4)C2=O)cc1 515927839 YULOLBSZSBGSAN-QGZVFWFLSA-N 433.424 0.745 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 521440702 PCIIMBNIYLPARY-QFIPXVFZSA-N 439.560 0.773 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(N)=O 522075769 NMWKPICGDMIUKD-CQSZACIVSA-N 443.525 0.539 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 523254634 KVZXYMVBQQNULV-UHFFFAOYSA-N 440.431 0.525 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C1CCN(C)CC1 531852120 UUFUIQXZBOYRRA-UHFFFAOYSA-N 448.552 0.611 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 541411815 QSBBIKUFULLQHH-CABCVRRESA-N 438.506 0.356 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 546196970 CKARVTLDVCDSNW-UHFFFAOYSA-N 441.455 0.752 30 20 ICED CN(CC(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1)S(=O)(=O)c1ccc(C#N)cc1 552480461 VLVSCDCUTSEUBY-IBGZPJMESA-N 431.518 0.932 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 553116348 UJZHTGAIVDMZHW-BBEJJTJUSA-N 433.490 0.204 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 558008458 IZCHZROSCUJETD-CQSZACIVSA-N 428.536 0.061 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579045185 KTPCFUHOZOBCSE-KBPBESRZSA-N 445.505 0.302 30 20 ICED C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 581761293 GFMNWGSZEAMENW-ZIAGYGMSSA-N 440.508 0.902 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)C1=O 582443940 KNBQNMNKAGLTPV-LBPRGKRZSA-N 425.388 0.878 30 20 ICED CCNC(=O)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 589190319 BSYFWEWHJGYQQD-UHFFFAOYSA-N 428.493 0.495 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 669810196 SJLMDLBYAKHQAH-HNNXBMFYSA-N 425.559 0.802 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 726042358 IEKRTJUCYALHTF-CQSZACIVSA-N 444.444 0.370 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(C)C)cc1 732156728 QHUDNQZHZMPXRM-VGVBMJIYSA-N 434.518 0.941 30 20 ICED N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O 739833975 YEVOSRHPFYBFKE-UHFFFAOYSA-N 446.872 0.829 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 744093291 MLRIWMJYCAVJME-GOSISDBHSA-N 445.545 0.614 30 20 ICED Cc1c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 748436555 XWNQTBUFONWRFX-UHFFFAOYSA-N 427.461 0.782 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 749505250 YKDZUIZOAQWQFQ-QHCPKHFHSA-N 438.484 0.580 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCOC1 749856997 SAZPLUSIEFIVAC-MRXNPFEDSA-N 443.573 0.999 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCCSC 753360983 XVDXBSMLIDGVLW-UHFFFAOYSA-N 448.570 0.807 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C2(CCCCC2)C1 753709326 HAJSSWQPSYTGOB-UHFFFAOYSA-N 425.532 0.685 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2OC)c1=O 758076594 PRUQHCXHYCFCFX-UHFFFAOYSA-N 441.509 0.216 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C#N)C1 768020531 OJYGVMQWGCQZAB-ZDUSSCGKSA-N 437.478 0.244 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc[nH]n1 770829974 GIPAXZKLLZGTTF-IBGZPJMESA-N 428.405 0.387 30 20 ICED COCCN(C(=O)CON=C1CCOc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 774850802 UEBMRKWWVVLVLB-AWEZNQCLSA-N 426.491 0.861 30 20 ICED CCN1CCOC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 775015938 UGPKDGCBFUAIJB-INIZCTEOSA-N 443.460 0.719 30 20 ICED CN1CC=C(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 776070323 VNWPXTPLIVAVQY-NKFKGCMQSA-N 433.534 0.816 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 776592425 FSEWBUABUWJTAV-NRFANRHFSA-N 426.517 0.138 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 781211075 NQMXZVILEDQJLQ-GFCCVEGCSA-N 444.448 0.987 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c3ncccc3c2)c1=O 783956766 HAHLJIKUKIBDIX-UHFFFAOYSA-N 444.516 0.762 30 20 ICED N#CCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 784864808 ULXBHWMVIKRXOJ-UHFFFAOYSA-N 429.449 0.719 30 20 ICED Cc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 790876657 OCQRVKYSQUNZTO-UHFFFAOYSA-N 436.515 0.761 30 20 ICED N#Cc1ccncc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 795042482 MNABKQPIUKXNFQ-UHFFFAOYSA-N 425.493 0.751 30 20 ICED C=CCN(CCOC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 800962863 SDVKPFIRMBBVDA-UHFFFAOYSA-N 427.498 0.953 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C#N 809501104 ACRGWWLICDUCPX-AWEZNQCLSA-N 434.460 0.358 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOCC 812276105 HWKBUJTTWWVJCK-UHFFFAOYSA-N 437.472 0.423 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 920249217 NGBTVLLMQXKJEN-SJORKVTESA-N 440.543 0.406 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(C[C@@](O)(c3nccn3C)C(F)(F)F)no2)C1=O 1321085294 HQMMIXINPLNFOG-OAHLLOKOSA-N 428.327 0.273 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]2CCCO2)cc1 1321776735 MOUWVMXFWCJKRW-HZPDHXFCSA-N 441.531 0.031 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1499145745 LGVAHWNUIRDFSI-QGZVFWFLSA-N 444.565 0.858 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CCO1 1555992322 NIUDVJPTTRTOIF-OXQOHEQNSA-N 446.895 0.742 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 1569039656 UPCNJXRKJBIYSW-QGZVFWFLSA-N 439.563 0.644 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1570475729 OVISIOOSYOFDLJ-WBVHZDCISA-N 433.534 0.737 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1748053206 PKJUFEQLPBHQFL-NRFANRHFSA-N 444.561 0.897 30 20 ICED Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cnn1C 1751366634 KONAUZOXQYVPGK-UHFFFAOYSA-N 440.533 0.989 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)N(C)C 1760934250 YEUXFWBVUHGCQS-OAHLLOKOSA-N 447.569 0.670 30 20 ICED CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765789528 MIICRFOJFVBJHC-IRXDYDNUSA-N 437.570 0.588 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)CCOC1 1767483810 PJTREMPJVBRWGO-AVRDEDQJSA-N 448.568 0.894 30 20 ICED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2c1CCC2 1777962998 ANFVJTIQQMQDQI-RORQMLAVSA-N 445.520 0.881 30 20 ICED N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1779064228 BPTLTXQYHYJYHO-OFNKIYASSA-N 426.517 0.610 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1779422347 DOCCKNSSGLPVPF-VFUZCNIVSA-N 434.497 0.321 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(C4CC4)c3F)C[C@@H]21 1783530057 CBEWJNCUEKJVKF-FCLICNRPSA-N 445.495 0.878 30 20 ICED CC[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 1783580667 UWJBYTZTWPOXIB-UBBVKBFNSA-N 438.525 0.410 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)cc1 1783606393 SPFMYOPHFIEKRK-FHWLQOOXSA-N 436.468 0.005 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783901816 ZMEVFBCMTDWMRT-KSMMKXTCSA-N 431.555 0.410 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784458461 HYAMTMDFMHUQJE-ZOMDFEMZSA-N 433.465 0.214 30 20 ICED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784643699 RAEMTMPWWPTJIZ-UFYCRDLUSA-N 447.576 0.827 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)SCC(=O)N4)[C@H]2C1 1787390402 IFKNNXGHEKLLTM-DZKIICNBSA-N 443.481 0.412 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@](=O)CC)C[C@@H]21 1789891286 KZXHXSXICIJIKQ-ZDCJXRPDSA-N 428.551 0.634 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1)C(=O)O 1789907377 RXLJUNQZJURFKA-CBVHJVASSA-N 446.479 0.282 30 20 ICED CC[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 1792538588 NBBZZXUUCJHQDU-HIRMHNASSA-N 438.488 0.552 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1793358072 OGXIEYXZNLCGJS-NTNQKNOYSA-N 429.473 0.812 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1793533667 IYDAKTHVSXFNKX-SCUGEYKASA-N 427.571 0.424 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCN1C(=O)c2ccccc2C1=O 1794127567 JJZUTJJYKKWBEC-MUJYYYPQSA-N 437.452 0.789 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)c(=O)[nH]c1C 1794311417 JQIZPICZZGDNMP-JLVBRIDZSA-N 439.447 0.915 30 20 ICED 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)CC1 1795411396 MSXTUIJXPWRLTF-QKPAOTATSA-N 436.509 0.155 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C(F)(F)F 1796425274 BGIPADBEPALOIT-URYVQPGZSA-N 434.440 0.497 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798496752 GUPMJTCPAIWTDA-ZNLWLASDSA-N 425.555 0.638 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)c(C#N)c1 1799241454 ZDZRVSWVHRMSJO-OPMZPASUSA-N 438.488 0.381 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(C#N)c1 1800134131 UQAXIGUTGGYLOC-UIVXKWKOSA-N 432.452 0.943 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1cnnn1 1801440200 VZBGDZYAJKFNGV-XJTZBENFSA-N 427.440 0.077 30 20 ICED Cn1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)c1=O 1801990104 SHDJDEKRALVGCK-UPHUGPLXSA-N 436.468 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)C1 1806009799 QYRSHQDJGMHRKJ-KRWDZBQOSA-N 430.505 0.527 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1807149519 HRFYCPXAWDINSZ-KPFFTGBYSA-N 440.548 0.895 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810328573 KCQKWTWBLMDOAK-UTKZUKDTSA-N 437.500 0.662 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813023771 ZUCQEBWOELBJJQ-BMQTXXJKSA-N 439.468 0.931 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@@H]1c1cccnc1 1813338986 YDQZVPJEIGVOCP-PTKHLAPESA-N 444.561 0.876 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824970557 SEOUQUHEWHCCKM-DLBZAZTESA-N 434.537 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826714417 VCGBLQOZOVZTOD-PXDRNWIDSA-N 432.565 0.797 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(S(C)(=O)=O)cn4)C3)C2)C1 1829665238 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1833485542 MAQSBXXVXBUWDK-OAQYLSRUSA-N 443.435 0.813 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)CC)C3)C2)c(O)n1 1833700207 RFXYZDXLQSNEDI-JOCHJYFZSA-N 431.489 0.955 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(O)n5c4CCCC5)C3)C2)CC1 1835344412 CHXIRHXYYSMXNG-OAQYLSRUSA-N 429.477 0.299 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835732345 OICARGVFEAYKAN-JJIBRWJFSA-N 446.596 0.652 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837209629 XVMJJIVAOXGECJ-LZJOCLMNSA-N 439.509 0.276 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837399450 UESJFZJFLNOSRZ-GCJKJVERSA-N 443.504 0.372 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837427188 MDQPKIQYKGLQJK-NRFANRHFSA-N 437.613 0.630 30 20 ICED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)s1 1837442031 MHWSUHREFZXZST-QKXOWGBTSA-N 436.538 0.267 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837443440 BCHXFGROISBUIT-WVVIERHYSA-N 447.580 0.255 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486590 KGGUDGJBHIYFFC-LEDOBFOHSA-N 436.549 0.548 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489774 UUYMMPLLQRWFJL-GREBRCKQSA-N 435.565 0.515 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837646031 LHHVTGBLJWBMTG-VGSWGCGISA-N 438.488 0.556 30 20 ICED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838741991 LCHUDURJVRJXHL-JOCHJYFZSA-N 440.504 0.860 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838762524 IWTXWGVCFNLLPR-PXAZEXFGSA-N 447.414 0.485 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908739 PLDSWVSHMWNZNI-QHCPKHFHSA-N 436.468 0.850 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839842781 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C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1847069372 BVGVJVHVNKMISO-HZPDHXFCSA-N 432.521 0.633 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)n(C)c1=O 16160992 YWEDJFJCHUCOPN-UHFFFAOYSA-N 444.835 0.531 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 21826544 IXHGGTLVDMVCTK-AWEZNQCLSA-N 437.474 0.985 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 24736402 STQDERQTPSCWNI-CQSZACIVSA-N 440.522 0.410 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCOC1 441952629 DAASREMLNADWQJ-HNNXBMFYSA-N 437.521 0.663 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 445131732 GHNQXJZVPKLITP-ZDUSSCGKSA-N 438.444 0.819 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(C(=O)N(C)C(C)C)CC1 460577922 QQKAGEUHQMSWFG-UHFFFAOYSA-N 437.504 1.491 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1cccc(O)c1 460609282 UYXWYZLDHQFWEY-UHFFFAOYSA-N 447.455 1.028 30 20 ICED CS(=O)(=O)NCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 463213392 OUBHAJBCBVCYQL-LJQANCHMSA-N 437.541 0.548 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 464189082 GDZBODGXXKRZDU-HNNXBMFYSA-N 429.520 0.382 30 20 ICED CCN(CC)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464780722 WJHXJTWGIFKAEN-LJQANCHMSA-N 433.578 0.807 30 20 ICED C[C@@H](NC(=O)CNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(F)cc1 464855057 IMENFJSBAWAZCZ-HZPDHXFCSA-N 439.495 0.991 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)o2)cc1 471324387 URQLJZMZJFMFLE-OALUTQOASA-N 445.497 0.646 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 472864034 PXHPRBXELWOHIX-UHFFFAOYSA-N 430.490 0.291 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(C)C 477296505 HSPPHNOFJVMBEG-UHFFFAOYSA-N 448.476 0.879 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCCSC 497551278 DLCQIOIVIIQDHN-UHFFFAOYSA-N 438.600 0.775 30 20 ICED CCC[C@@H]1CN(C(=O)CN=c2ccc(C#N)c[nH]2)CCN1C(=O)CN=c1ccc(C#N)c[nH]1 497744973 ZDLHSPVSQJIPMP-LJQANCHMSA-N 446.515 0.427 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 502873654 YTHDBLIHSHYTAG-ZDUSSCGKSA-N 433.563 0.796 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(C)(C)CN(C)C)c1=O 505701122 VAUREENXGAHRLM-UHFFFAOYSA-N 444.605 0.567 30 20 ICED C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508492619 WTORJKUKWFYJMW-GFCCVEGCSA-N 434.298 0.379 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1OCC(F)(F)F 511441858 DGQLQAKEIJCEJQ-GFCCVEGCSA-N 435.380 0.368 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCc2ccccn2)c1=O 512742155 HVYQNHOUKBLKLP-UHFFFAOYSA-N 436.541 0.792 30 20 ICED C=CCN1CC[C@@H](N(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1=O 513047783 VKSMUIFIVANBEX-QGZVFWFLSA-N 437.522 0.754 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 514138576 QIBUWOWDZGTGEV-ZDUSSCGKSA-N 428.536 0.013 30 20 ICED CCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(C#N)cc1 515246247 SISXFKKRIWCAGN-UHFFFAOYSA-N 427.549 0.773 30 20 ICED N#CCCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 518953755 XGTWFPCUSAEZJW-UHFFFAOYSA-N 429.520 0.788 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 531755193 FOJHXGPBQCDAMJ-UHFFFAOYSA-N 448.907 0.749 30 20 ICED Cn1cc(I)c(=O)n(C[C@H](O)COc2ccc(CC#N)cc2)c1=O 535134905 OPORRXPFBMKIPM-LBPRGKRZSA-N 441.225 0.658 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 541364595 SCFZRIBYFAQCCU-UHFFFAOYSA-N 438.506 0.404 30 20 ICED C=CCN(CCC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 562863753 BOURHVCXQUBYGK-OAHLLOKOSA-N 436.490 0.298 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 565681825 BZTKMNUHQJQBOZ-SFHVURJKSA-N 436.520 0.429 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 574599260 FIOIKZKDEOFJKP-KRWDZBQOSA-N 429.525 0.694 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(C#N)cc1 579501650 LECFEUOIGVSIEM-OAHLLOKOSA-N 427.486 0.664 30 20 ICED COc1ccc(CN(CCO)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 589411038 CEJGGLJSBQWUDO-UHFFFAOYSA-N 433.486 0.875 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 599181626 DNGCTVGSZCRYNR-GOSISDBHSA-N 438.532 0.526 30 20 ICED Cc1c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 610968589 IHMKZFYECNHJKJ-UHFFFAOYSA-N 449.471 0.640 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 619855437 FRDNIPSGFCFGMM-UHFFFAOYSA-N 441.557 0.891 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCc2ccccc2C1 726560084 DLBKOVJMIGDZDQ-UHFFFAOYSA-N 426.498 0.816 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2cnn(C)c2)c1 726856403 KJPCKAZOZRSYFT-MOHJPFBDSA-N 446.533 0.920 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675167 XXAXGAZNBLADGK-KRWDZBQOSA-N 426.451 0.813 30 20 ICED N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)n2)c1 752398269 KAGNBAYHTOVPJV-UHFFFAOYSA-N 449.514 0.398 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)c1 754452689 WRJLDFXLJUPEJD-WRHNGFHOSA-N 434.543 0.760 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 755536402 JINWKGCLSJXXNW-YPMHNXCESA-N 437.478 0.299 30 20 ICED CN(CCC#N)c1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 768249284 BTRYIKIAESWKOV-LJQANCHMSA-N 440.591 0.671 30 20 ICED Cn1c(=O)c2ccc(C(=O)O[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 778767991 FYCVLOICTSDOPA-KRWDZBQOSA-N 433.424 0.856 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780464313 ABNZRLIVTGWCQC-WBVHZDCISA-N 433.465 0.445 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C)[C@H]1CCS(=O)(=O)C1 783479891 GXGRJGZFZOVWHC-HNNXBMFYSA-N 430.486 0.683 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCSC2)C1=O 794440188 BJGYGNVTZVKAEW-HWHGUFAVSA-N 442.588 0.776 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1=O 798584556 CYWMPBIVTVHZEB-CVEARBPZSA-N 444.531 0.098 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 799798758 YRZDUCFARJJMJF-OLZOCXBDSA-N 444.535 0.632 30 20 ICED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 799997561 GZUHRZVHUBRJSM-UHFFFAOYSA-N 439.538 0.500 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)NCCF 800643522 LGZSNRHLOMZNQY-XQAVQBLBSA-N 441.485 0.028 30 20 ICED C[C@H](c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1)n1cnc(C#N)n1 809466765 VXIRDRWIGIRENE-CYBMUJFWSA-N 437.420 0.942 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2cc3n(n2)CCO3)CC1 811352269 BJWKAWHPDXYRIL-UHFFFAOYSA-N 438.400 0.901 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCc3c(N(C)C)n(C)c(=O)n(C)c3=O)CC2)o1 814065682 OERWJXDZEIXLTA-UHFFFAOYSA-N 430.465 0.278 30 20 ICED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)CC(=O)NC1CC1 856693144 AEGXHDAXKCYJGI-CYBMUJFWSA-N 436.490 0.161 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC 916198214 GKXAGJLGQIAWSQ-UHFFFAOYSA-N 442.541 0.934 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)NCCNc2ncccc2C#N)cc1 916640932 PHJSKYFRKPRWQE-UHFFFAOYSA-N 432.506 0.789 30 20 ICED CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918246492 VAAACJRKFPJJQD-KQWNVCNZSA-N 437.522 0.326 30 20 ICED Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ccc(C#N)cn3)CC2)c1=S 1115878094 CFPOJLSBMMBMKR-OAHLLOKOSA-N 447.590 0.975 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130080299 SVWHIHHCPXCQKG-CZUORRHYSA-N 432.864 0.845 30 20 ICED CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1313965619 NDUKBVOYWWEWFB-CQSZACIVSA-N 436.476 0.492 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1314142524 VRRWUJBTQGTFOG-KSSFIOAISA-N 425.511 0.236 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@H]1C 1499164938 RMCBSSZBNWOBCH-DLBZAZTESA-N 425.541 0.938 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1504888145 JKZLWWOOGGTTAN-ZACQAIPSSA-N 441.554 0.598 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1noc2c1CCCC2 1510222203 PYCUNQCFOPLDMD-STQMWFEESA-N 435.510 0.532 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1662420488 VGKYLWJMXKEWIT-QGZVFWFLSA-N 431.511 0.654 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1744097859 XEJCJQBOIYGPTR-SFHVURJKSA-N 446.600 0.951 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1751095114 UIUWEZYBJXTTSZ-HOCLYGCPSA-N 431.522 0.946 30 20 ICED Cn1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)n1 1767488424 VMRXBZQLQTYHJW-QGZVFWFLSA-N 448.553 0.523 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1768265212 LWSUEVIIDNRBFI-UHFFFAOYSA-N 431.522 0.425 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777972336 INUVGPXNRFDINI-IYZQMXKPSA-N 435.484 0.932 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2OCCO3)C1 1778594613 SNZOCSOANWCKTJ-VGOFRKELSA-N 428.441 0.673 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779070868 CRDYJOMOQGHJKB-UGKGYDQZSA-N 443.456 0.497 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100829 ZFLGYRBCRNZFCL-ZSLBJAAKSA-N 443.522 0.252 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn3cc(F)ccc3n1)C2 1782010245 ITWBULWZCCHXJX-IIBYNOLFSA-N 428.420 0.689 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)c1 1782058124 HBZABYJZUFANBE-DVECYGJZSA-N 439.560 0.946 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783194915 MBYPGCXDMCNQTK-KRWDZBQOSA-N 435.493 0.453 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)C[C@@H]21 1783531659 YNFQHHGDEBNRDC-NHKCJIRDSA-N 429.521 0.916 30 20 ICED COc1cc(N2CCC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](C)S)C4)C3)CC2)ncn1 1783888059 FETBINWPGSGPCS-BTYIYWSLSA-N 449.577 0.850 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783926880 ILMFAWFAWIJPOI-UNMCSNQZSA-N 436.505 0.131 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1784019169 BIWDGMJNHIGOHQ-JPYJTQIMSA-N 427.501 0.985 30 20 ICED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1785305479 MWCRAMUGSZGLDM-KSFYIVLOSA-N 449.504 0.764 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)cc1 1788503826 GSWGIBOGSPWAIQ-BZSNNMDCSA-N 437.504 0.414 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1788573932 VTTPKRWRSZTOIG-HVTWWXFQSA-N 436.597 0.175 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789203038 BBVUYEBXZPEEEA-HPZZRFSDSA-N 429.502 0.718 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)N1CCN(C)CC1 1789799253 FKDSBDHOPZPKIB-FQGFUHKGSA-N 445.564 0.314 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1790566626 DHSCWAYGMMKVLI-FHWLQOOXSA-N 428.558 0.502 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1CSCSC1 1791076569 ACKSLZOKVNCCSF-AJNGGQMLSA-N 427.548 0.097 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)[S@@](=O)c1ccccc1 1791077566 JFWSKIWWJCGIRA-JGHQQUMQSA-N 432.498 0.250 30 20 ICED C=CCC(=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 1792451162 FZFSZLFUJVSFOG-KMOPNRPKSA-N 437.537 0.770 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 1792489448 XMQIICDIDPFATC-GWUNTCDZSA-N 441.484 0.519 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793343530 YTRIXTJWJIDACM-PZTGFMGMSA-N 438.484 0.407 30 20 ICED Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)s1 1794106028 FTPFAPFWSKLIDP-VTJZSFSSSA-N 434.566 0.840 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795301379 ANSVNIDDDGXNLB-ZXFNITATSA-N 426.560 0.758 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nc1 1796728444 DJEWOUYQPOAHJU-UHXXWTPBSA-N 432.477 0.822 30 20 ICED 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)c1ccc(OC)cc1)C2 1797704112 KGLHOSVYFBCWPD-QQXMDYFESA-N 432.517 0.891 30 20 ICED N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810984 BQKPXLGJTOEXOB-ICZZDQBYSA-N 427.527 0.122 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c(F)cccc1F 1798982137 YCGLAEUQZUGPMS-ZVDPXCMSSA-N 433.455 0.955 30 20 ICED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(OC)cc2C#N)CC1 1799239403 CHGZRYQEQXIKAR-XEMDLRDOSA-N 441.484 0.652 30 20 ICED C#CC(=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 1800766238 RDJXIUAMXQFDLD-NNRKOQHJSA-N 433.505 0.234 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1801158683 RLMDQINJWUYDRY-BASYENTBSA-N 434.493 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1cccnc1 1801397347 HEFASMTVWTZBEX-RZKCCLDFSA-N 428.489 0.297 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1802482830 RSMBPEWJPSXLKQ-KGPYNAKISA-N 436.516 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1806003471 TVEVYWRENPTNSL-HNNXBMFYSA-N 448.545 0.721 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806839888 ATVJEQIEJJSWKC-DJIMGWMZSA-N 433.534 0.719 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880413 PNAYYBRPEFNONI-BMGDILEWSA-N 446.460 0.019 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813223846 VGVDZFQBFQCMGW-QKLQHJQFSA-N 425.489 0.879 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)c1 1814826669 RGHWXEXUZJLYLS-LBPRGKRZSA-N 427.490 0.732 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1815205922 SDSJGXWDHVADER-HUUCEWRRSA-N 432.481 0.983 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CC2 1825022956 XNKJSFVAOJMUTL-YRGRVCCFSA-N 434.518 0.916 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826032976 MZVJQHFYYHZWME-AWEZNQCLSA-N 438.575 0.589 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(OC)OC)CCN2C(=O)OCc1ccccc1 1828563967 DIHDDLNOMPWQPS-JOCHJYFZSA-N 429.473 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)c(C)c3)C2)C1 1829764601 PBWNHSGSDRKEON-UZQCKINESA-N 442.516 0.627 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 1829773148 MGZXCRDUWFVWHS-RDJZCZTQSA-N 426.477 0.718 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1830055490 AGYKDWGHMAEDTM-WMZHIEFXSA-N 426.517 0.707 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831187875 JBAMVFNRVLXEGB-ZHRRBRCNSA-N 428.489 0.543 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831225776 ZUYOMNRJZRRLED-XMMPIXPASA-N 440.496 0.886 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831392174 JWEDCTGXSZSDLE-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1831427973 WNNXHADGAVSZOP-UWJYYQICSA-N 436.509 0.191 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cc3cc(C)no3)CC2)CC1 1833074035 ZJVQWFAWPRKCDK-PLNGDYQASA-N 443.548 0.956 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833575343 ZGGAOLWZEJNVHX-VBKZILBWSA-N 437.880 0.549 30 20 ICED CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440105 CLIUDGKBVXBNQD-DGEAWOGYSA-N 449.596 0.646 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524707 GHUHHNDPYDAXIP-XWYFEKNZSA-N 427.498 0.254 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837525038 RTEZZTMPRYWPDZ-AGDXKCLUSA-N 433.465 0.076 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817399 CLMOIXZIDNZALH-WVYFQRGSSA-N 428.445 0.569 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(Br)CC4)C3)C2)c1 1838738920 GJAUMADMBONZRC-KRWDZBQOSA-N 437.294 0.884 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838907210 FIHBEJNFZKHGSR-JWIQCUOBSA-N 438.528 0.968 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349854 UDUMNPALWJAQBU-UTKZUKDTSA-N 435.546 0.810 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1)C(F)(F)F 1839893304 RCEKUWNHWCFSGM-SFHVURJKSA-N 439.394 0.918 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716972 ZJRGELJGJXSGBX-UZUQRXQVSA-N 442.516 0.910 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1840842952 LNHTYZPEZWONFC-MWTRTKDXSA-N 441.484 0.889 30 20 ICED Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n(C)c1=O 60059155 ZTIZQRVJKMUNDI-UHFFFAOYSA-N 438.835 0.783 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 61610311 KJHPXMFVSQKQQX-UHFFFAOYSA-N 449.514 0.895 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410200285 SMRYLUKPZROQRK-SJORKVTESA-N 437.570 0.598 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 430916713 BCMIVQVTIISYJY-CQSZACIVSA-N 425.449 0.164 30 20 ICED CC#CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 440727365 QSXONHYIGGERMI-UHFFFAOYSA-N 434.500 0.836 30 20 ICED N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c1=O)CCC2 447422994 OUSQGBDOFUJHKU-UHFFFAOYSA-N 444.488 0.881 30 20 ICED N#Cc1ccc(NCC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1 447735813 HIDZOPCAKFPEFK-GOSISDBHSA-N 425.464 1.338 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 460614207 LHMAKQRSUPFWKN-INIZCTEOSA-N 447.430 1.447 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(O)CCN(C(C)C)CC1 460719989 SBGKMORTXGJLRG-UHFFFAOYSA-N 425.493 0.737 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478738231 MZNPTLPGQKNGTO-MRXNPFEDSA-N 427.530 0.671 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 499336906 HGMKSIFXVQQRHY-UHFFFAOYSA-N 442.563 0.457 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 505153503 VHZFRQPGCVYHTJ-QGZVFWFLSA-N 430.428 0.784 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508460348 BSMCJHSTEBTNPM-UHFFFAOYSA-N 426.543 0.188 30 20 ICED CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513289139 LBCROVCYNZRFKX-UHFFFAOYSA-N 442.451 0.965 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)s2)c1=O 530892884 ZHCYMCXXGGUAEV-UHFFFAOYSA-N 432.527 0.145 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1Cc1ccon1 532447813 RUAGLNYWUIJRBC-UHFFFAOYSA-N 432.465 0.381 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 545492868 VKWIHJLOUYPNPE-GXTWGEPZSA-N 432.462 0.077 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccn2)CC1 550904662 BQOXQUNVQWBCSC-UHFFFAOYSA-N 448.531 0.065 30 20 ICED CC(C)(C)c1nc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 555032703 FLCZFYHMBDURRK-UHFFFAOYSA-N 446.533 0.861 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 560983024 OPAGUFWYUBPZTB-NRFANRHFSA-N 448.527 0.435 30 20 ICED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 577308197 IAZDRGSNONWJIF-UHFFFAOYSA-N 442.476 0.733 30 20 ICED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H]1Oc1ccccc1 581694104 CRKOKZGGZUSSET-GUDVDZBRSA-N 440.504 0.996 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 603797054 XLOGTZUJQCUESP-UHFFFAOYSA-N 430.530 0.173 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC(C)C 603798904 IDRKBYLLPYSDLU-UHFFFAOYSA-N 445.541 0.849 30 20 ICED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 604005084 WNGBABTUXBKHSR-INIZCTEOSA-N 449.536 0.614 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606037176 UTLVSXSMHWMXHG-LJQANCHMSA-N 426.498 0.960 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1 606141673 PORBXGAKJSAERV-QGZVFWFLSA-N 425.507 0.335 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 609680506 WLYGGGMHXVVIFE-UHFFFAOYSA-N 440.478 0.595 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610845022 CPCQAZCVPVSPNV-IBGZPJMESA-N 425.537 0.870 30 20 ICED CN(C)CCn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 610869530 JNEXWQDUQNHALL-UHFFFAOYSA-N 449.519 0.772 30 20 ICED C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 616694838 DWLKZCOKODQNGV-UHFFFAOYSA-N 436.534 0.770 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCN(CC(F)(F)F)C1 684296079 ZOFKSBUMMNBXGQ-OKILXGFUSA-N 442.404 0.991 30 20 ICED CNC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1 730045868 NUCRWQGPMPGNAK-UHFFFAOYSA-N 441.444 0.914 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 732663236 LDFXCALZZMNLKQ-UHFFFAOYSA-N 431.587 0.960 30 20 ICED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 746240094 VKLAHPDWQRELCX-WZGSHADRSA-N 431.537 0.742 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(C(N)=O)CC2)cc1 749705306 VBORQCDUHVEHCE-JJIBRWJFSA-N 449.533 0.598 30 20 ICED COc1ccccc1NC(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755026698 MWOXUZUXESINBT-UHFFFAOYSA-N 429.502 0.975 30 20 ICED C[C@H](CC(=O)N(CCO)CCOCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 757117421 MVERHHLOHMPDEY-GFCCVEGCSA-N 437.440 0.904 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758071507 KKRMQXZNHONLFD-UHFFFAOYSA-N 434.433 0.864 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 761036777 JJPMHFNTCIGBHY-SFHVURJKSA-N 448.545 0.207 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn(C=C)c3)c2=O)c1 772303540 VHDSTMUSYAIWIU-UHFFFAOYSA-N 445.504 0.443 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)c1cc[nH]n1 772360936 PNRQPVBRACWYLS-UHFFFAOYSA-N 426.495 0.653 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-c2cccnc2)nn1CCO 775106904 HGQQWMUFELRNNM-UHFFFAOYSA-N 426.458 0.615 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 783464313 QEXWWCDNAPJAOJ-UHFFFAOYSA-N 434.452 0.834 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cn1 791052237 UOWQOSNJZJGVSM-VQTJNVASSA-N 447.561 0.270 30 20 ICED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 799078174 ZQALWXPVFWNIMF-AWEZNQCLSA-N 426.491 0.229 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800033743 ICZHXVRJSGSXJK-LSDHHAIUSA-N 431.559 0.676 30 20 ICED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 802508707 ATRFGMXALYOBES-UHFFFAOYSA-N 439.520 0.444 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 803579364 GZUIQMFMDYEKEP-MRXNPFEDSA-N 443.504 0.267 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2ccnc(N)n2)C1 810770187 IMKPIEVAEKWGHN-DZGCQCFKSA-N 430.490 0.809 30 20 ICED COC(=O)C(C)(C)CS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 811144448 KXHMULWYLMKPQP-NSHDSACASA-N 445.519 0.149 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 819824368 KCOBYFFXSDEAAW-JZXOWHBKSA-N 434.562 0.807 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 831250354 YZVWMQYVSGOHHX-LBPRGKRZSA-N 437.474 0.068 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CC(=O)NCCOC)C1=O 914555713 KWMSTJNXQMEWIY-OAHLLOKOSA-N 435.506 0.475 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 919316184 WEKYSIRJZIAJHG-UHFFFAOYSA-N 438.483 0.743 30 20 ICED Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCCS(=O)(=O)c1ccc(C#N)cn1 1117483378 KHZBIYHRCKZILS-LBPRGKRZSA-N 441.560 0.625 30 20 ICED C[C@H](CC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1140896214 OTSYOOIIJXMFPK-KUHUBIRLSA-N 439.559 0.931 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1288826000 OGHGKQKQDNTMQF-XJKSGUPXSA-N 431.563 0.379 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1303405241 MRQUDCUWUAGGSA-RDJZCZTQSA-N 449.581 0.418 30 20 ICED C#CCOCCN(C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1319655386 GOKASPXYVMPHNQ-UHFFFAOYSA-N 425.507 0.236 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)O1 1341760866 BSVFXCKTZHYVPL-ZACQAIPSSA-N 427.461 0.515 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 1454263115 YKBSMFPLWJWAPK-NRFANRHFSA-N 425.533 0.920 30 20 ICED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1503822402 KQCCLOIPMRZAEB-KRWDZBQOSA-N 438.536 0.999 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1541803996 PAEXXFBZSPCPOV-VSGRFQRGSA-N 444.583 0.260 30 20 ICED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1541926744 WYIATDHVAVHCRR-JKSUJKDBSA-N 439.586 0.739 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCS(=O)(=O)CC3CC3)CC2)c1C#N 1543002299 VMHBMFJXJNDQFZ-UHFFFAOYSA-N 432.554 0.652 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1554483247 VXIQMQWFCSSUKQ-UHFFFAOYSA-N 445.549 0.813 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1640665019 QOTPPXDBIIHLIK-UHFFFAOYSA-N 430.508 0.062 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1697023718 PXVYASWZNXERAU-UHFFFAOYSA-N 445.549 0.671 30 20 ICED CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1710361672 IGIRLYXVKNDKRS-UHFFFAOYSA-N 447.521 0.644 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1750752523 XLARVHVESDECKD-KRWDZBQOSA-N 436.582 0.593 30 20 ICED O=C(Cc1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1777993061 QADULWPSGDXMTC-BSOUKZRHSA-N 433.509 0.995 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CC1 1778257269 IGIWIPCAADNDLB-HSZRJFAPSA-N 444.963 0.769 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1779138820 GXRNXJSBHRPSMG-WDEGROJVSA-N 426.473 0.951 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594604 ZRQKDMBFRVACGJ-QRWLVFNGSA-N 434.518 0.330 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c(C#N)c1 1781174100 GVINIQUZCPYQDH-HSZRJFAPSA-N 435.484 0.972 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1781309388 WSIRIORVFUVWFN-NHCUHLMSSA-N 436.509 0.804 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1782255255 FCGIVEPMNOBUNP-HVETUWLQSA-N 435.521 0.505 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCOCc1ccccc1)CCO2 1783056250 QDORDLVONHAHKX-QHCPKHFHSA-N 430.501 0.700 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783454902 KDEWSNXBFWCIOS-IERDGZPVSA-N 433.505 0.476 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783542784 VVWWGRCDFHRJRF-OQMVOFQNSA-N 437.496 0.765 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783561059 ADXONMVFHVGSBL-HXUWFJFHSA-N 438.383 0.514 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1783928194 FOPXDFPPHJPVLD-VXKWHMMOSA-N 429.473 0.926 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652312 BRKZRSZHAJWTTO-UBBVKBFNSA-N 438.525 0.410 30 20 ICED O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788888264 DCOQBMFUBFWBMI-ZDRKYOTFSA-N 444.492 0.240 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790130579 MPOYJOPGJODRCO-QZHFEQFPSA-N 429.517 0.952 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)c1 1790273166 CGYOQVUBXXZEHD-WDSOQIARSA-N 433.530 0.895 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)cc1 1792465264 UEYICBNAJAKUEX-HATOLVCRSA-N 428.558 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(OC)c1)C2 1792484174 GAFAHVKPMLJYCR-UPZFBSBQSA-N 442.516 0.471 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(C)cc1)C2 1792485434 JRQILETVZLCGOF-ROAZTASUSA-N 427.501 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cc1ccccn1)C2 1792491299 IYEUFZPDWJDVBX-NAQNXIHYSA-N 426.517 0.708 30 20 ICED C=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)C2 1793599148 PLNWLNRGNXQKIV-KSWRQPAISA-N 438.525 0.180 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(N(C)C)c1 1794297157 OCSSHGLRJLTHLJ-XEMDLRDOSA-N 430.505 0.860 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794431930 DWPQJQFILFHYQR-AFIMGQEJSA-N 434.493 0.957 30 20 ICED CC(=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 1795061472 XPZGICSLOAMLHH-BJWYYQGGSA-N 448.520 0.706 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)N1C[C@@H]2C[C@H]2C1 1797636149 WDYRBRAMKZMABZ-ZJICWGJPSA-N 429.561 0.615 30 20 ICED 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)N(C3CCCC3)C1)C2 1797707203 ZYUITXOHMKLXPX-GOBLKYCHSA-N 447.576 0.940 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4c(n2)NC(=O)CC4)C3)c1 1798693589 QVGVXVJGQVCCDD-CCWDJLKJSA-N 434.456 0.683 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C(=O)OC)(C1)C3)C2 1799306776 LEIAJQWHAGTILE-QRHGTZESSA-N 434.489 0.429 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1CCc2nc[nH]c2C1 1801269037 SKQSWARETJZURX-OMUVKIBWSA-N 445.520 0.633 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1801995833 UDPJUWPYEPDTPE-UPHUGPLXSA-N 446.467 0.883 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CC1 1806841987 LQAZOXAOARIEMQ-IEBWSBKVSA-N 445.545 0.122 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)[C@H]2c2cccnc2)CC1 1806850430 YUKDDSLETLZVLI-HKUYNNGSSA-N 445.545 0.817 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1808426455 KYSXRHIJAYHJKE-XLIONFOSSA-N 445.520 0.868 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1810246741 NIGHVINKMSKEMQ-DFEOGRTESA-N 431.537 0.253 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812716234 KXGZUMDAQGOUJM-IEBWSBKVSA-N 440.491 0.585 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175699 UZATVDDJWYOCBB-LLGFUMIMSA-N 440.500 0.586 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813224841 BZOOIFLIIKONQH-UTKZUKDTSA-N 425.489 0.833 30 20 ICED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813224955 GLLWVBRRWGLYLO-DYESRHJHSA-N 425.489 0.833 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1814012179 BZWGVGRNBAUJMK-CQSZACIVSA-N 437.481 0.659 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(C)(=O)=O)CC2 1814976506 RKCGPWXQWFFHPU-LLVKDONJSA-N 427.552 0.382 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815766104 RCDIPHAMRLLHJZ-HUUCEWRRSA-N 432.481 0.983 30 20 ICED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668634 NBTSIGKTRZFFOH-SDBXPKJASA-N 448.534 0.449 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819454546 OVMCIJQJPAFFJQ-LKERYGQTSA-N 431.453 0.807 30 20 ICED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)[C@H]1SC(=N)NC1=O 1827671652 BXNOKBFFCVYUFE-RVSPLBMKSA-N 434.518 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1829764924 ZCSAVEQQJWHSMH-KOIKXXGWSA-N 429.473 0.321 30 20 ICED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)COC1 1830038293 LGKNEFKXPKRBEK-QFIPXVFZSA-N 429.473 0.430 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1830059655 HMYLJAZIFOQJIR-QFIPXVFZSA-N 438.488 0.887 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1 1830210961 RPGVQHFWDZUWSI-GCJKJVERSA-N 431.489 0.735 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1831281247 PGTIPXMZAQLLRY-ZHRRBRCNSA-N 428.489 0.520 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccc3C)C2)C1 1831387332 OQARRSFZFAAAKY-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831391955 HCZOPDRDVXFTKB-SBUREZEXSA-N 444.484 0.566 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cs1 1832967368 OWRZRLWIUSKFAO-OAQYLSRUSA-N 449.577 0.732 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)C(=O)O 1834741565 APWGBSDPMRENTL-HXUWFJFHSA-N 441.532 0.806 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835817655 ZQYWALVUFYLEGZ-JXALWOEJSA-N 445.560 0.758 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CN4CCOCC4)CC3)CC2)c1 1836169375 BRIMWOJGAWQOPN-UHFFFAOYSA-N 428.537 0.404 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836392940 COJMDGXDGRSLOA-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)CCO2)C1 1836593892 HSGQOBOLSHHGNL-KSFYIVLOSA-N 447.557 0.807 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1836728181 YMSJCHPQZDZVBP-NHCUHLMSSA-N 439.484 0.425 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837304812 KTOFCRGBCUHHHP-YCRPNKLZSA-N 432.477 0.726 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837399452 UESJFZJFLNOSRZ-XMSQKQJNSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1837403620 WOFWNBZOENSMBS-VGSWGCGISA-N 433.505 0.237 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1837405587 WCPFODBSTBCLLJ-ZHRRBRCNSA-N 440.537 0.605 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489829 WAJLFIIBDSJWRA-HSZRJFAPSA-N 435.565 0.530 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837524424 HTDGWNFAYLBTLG-GRQGUZBNSA-N 433.465 0.076 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C(F)(F)F)CCO2)C1 1837963438 VZYNIIYTBLQMQB-BZNIZROVSA-N 436.456 0.827 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474111 ACQOXBGDWWQMDY-JOCHJYFZSA-N 447.488 0.863 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)CCO2 1838589352 NXUFBIKBDSMWIQ-WAIKUNEKSA-N 441.484 0.889 30 20 ICED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737843 AMZWJLMEMFIWTP-QFIPXVFZSA-N 439.472 0.982 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741787 BLFXVPLQBDJRIB-ZHRRBRCNSA-N 439.472 0.819 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc[nH]c5C4)C3)C2)c1 1838742023 MGQOWBOITONWKK-OPAMFIHVSA-N 438.488 0.485 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773785 AXRGXEPQEDPHLX-RTBURBONSA-N 446.500 0.828 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839162901 DLSFVYOGCIIUML-VBKZILBWSA-N 434.880 0.416 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839173521 WKQSQPOYGMRWAR-QFIPXVFZSA-N 448.520 0.616 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)ccc1F 1839186476 WCNDZJOZQNFROB-QFIPXVFZSA-N 441.463 0.593 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420586 RSKFUYHSADHENK-NYHFZMIOSA-N 446.479 0.634 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634682 VNJACSLEMSGWST-SIKLNZKXSA-N 425.489 0.513 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1839807434 AGBKPXYZOGYLIK-GOSISDBHSA-N 439.310 0.448 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839841075 MCDNILQFXUCETO-QVKFZJNVSA-N 434.493 0.980 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1840042659 HKOHPRCVXHMAPI-MSOLQXFVSA-N 432.395 0.448 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840294296 APEHYAGZXIYTSV-OFNKIYASSA-N 434.581 0.272 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325049 AZIIVUHPGVLJAX-VIZCCBKPSA-N 449.508 0.328 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=COCC4)CCO3)C2)c1 1840561958 NZIITZPUVQMZDE-JOCHJYFZSA-N 427.457 0.941 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840816616 DFZQVTMIGAKDFA-HSZRJFAPSA-N 447.532 0.725 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CCN2C(=O)OCc2ccccc2)C1 1843846196 HGTJAQYKKYRNJO-MOPGFXCFSA-N 425.485 0.985 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258034 JXARWYDRNDTOTK-DXRSZSRVSA-N 437.541 0.547 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)O2)C1 1846194419 DHLPOSFEKODGHY-HNNXBMFYSA-N 447.488 0.446 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCNC1=N 1847940339 SZUGUHLTPCLBHL-JYJNAYRXSA-N 434.541 0.498 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N\CCS(=O)(=O)N3CCSCC3)NC[C@H]2C1 305036387 SQNXIYSBZOYVHE-AWEZNQCLSA-N 433.600 0.246 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 433452723 WRNRAEDPYFCIBL-MRXNPFEDSA-N 427.548 0.791 30 20 ICED N#Cc1ccc(N2CC[C@H](Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 433697671 PHIKXGQPRIRPHL-IBGZPJMESA-N 439.497 0.896 30 20 ICED CCOC1CC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)(N2CCOCC2)C1 444157115 GBEDXYDZDIZNKE-LYGNXSNRSA-N 443.552 0.838 30 20 ICED COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460600020 PJAAVJDTOJCZHB-UHFFFAOYSA-N 447.455 0.941 30 20 ICED CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 461458180 VMSBRIZWFQSRED-LLVKDONJSA-N 438.487 0.477 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465420699 YXWIMPDXAIBBNN-AWEZNQCLSA-N 437.460 0.149 30 20 ICED Cn1c(=O)c2cc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)cnc2n(C)c1=O 475465059 AFNSYSFABHUEJF-KRWDZBQOSA-N 432.440 0.634 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCOC3)c2=O)n1 479362370 RGNYOJDYIRZKDK-GJZGRUSLSA-N 441.509 0.459 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 482516742 YLKCEDGLHPKOJZ-VGSWGCGISA-N 442.541 0.978 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 498685212 ICDCAESLYCCZEQ-MRXNPFEDSA-N 428.489 0.491 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl 500837164 AJJWSCPCEADMRL-HNNXBMFYSA-N 440.909 0.803 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OCC)C1 508884482 HRZATEKVECZTBX-LSDHHAIUSA-N 427.527 0.577 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514943211 KZASPNLMFNIYRS-UHFFFAOYSA-N 438.488 0.775 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1=O 519323855 DKQXWZYCIFYBIK-UHFFFAOYSA-N 431.430 0.191 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCN2CCOCC2)Cc2ccncc2)C1=O 521251284 AIJAAZYJIYJDOQ-UHFFFAOYSA-N 429.477 0.109 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 526038097 BANQQLSIDJARPM-CYBMUJFWSA-N 431.901 0.547 30 20 ICED CN(CC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 534105294 CULINVQVNRCMKU-WOJBJXKFSA-N 442.541 0.930 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543015349 YJPKOCYRZYQWDX-UHFFFAOYSA-N 430.852 0.653 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 545463068 PYDIFOXGKRNSJD-UHFFFAOYSA-N 443.475 0.480 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 551302214 URPQWNOYERCIQZ-LJQANCHMSA-N 440.525 0.813 30 20 ICED Cc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1S(=O)(=O)NCC#N 552358795 WIFJVPGSFAHQAD-IBGZPJMESA-N 438.575 0.735 30 20 ICED N#CCNC(=O)CNC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 557808072 JXTPXJPQOZOJJE-UHFFFAOYSA-N 425.468 0.986 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cc1 563484277 XXSJCUWMMJBQCO-UHFFFAOYSA-N 442.497 0.625 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 563913377 JDIQTILKQRUMQE-IEBWSBKVSA-N 425.599 0.473 30 20 ICED C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 572138227 KJBNZWYJUFZOMZ-HNNXBMFYSA-N 433.538 0.766 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 582292594 DBBBVLZOQBVRRY-CYBMUJFWSA-N 430.412 0.878 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 603704544 XEHTUVYDAZKIHG-SNVBAGLBSA-N 449.330 0.671 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cn2)c1=O 609613699 RHKMHWRGOOETHX-UHFFFAOYSA-N 437.319 0.353 30 20 ICED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 674196721 KJFTUPXPMZFSRZ-UHFFFAOYSA-N 449.496 0.444 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 725763969 CGZKURIGCSRDEM-YJBOKZPZSA-N 443.573 0.878 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)ccc1F 731650614 IQBSEWRKDGIRRB-UHFFFAOYSA-N 447.554 0.529 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 733149802 RDOIZRVCURTTSX-MRXNPFEDSA-N 446.935 0.985 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H]2CCS(=O)(=O)C2)C1=O 735225512 KTPQUFGXKCXBMU-SMDDNHRTSA-N 425.488 0.670 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 745386498 HNZYKHIOQGGGKI-GOSISDBHSA-N 448.435 0.648 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745435073 XYLKNRGSJQKKTD-GFCCVEGCSA-N 425.463 0.106 30 20 ICED C=C(C)CN(CC)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 746492280 HMCJTTVZIYYKHE-UHFFFAOYSA-N 444.598 0.978 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)c1nn[nH]n1 747469464 DXALYXZPHJUJCR-KRWDZBQOSA-N 425.474 0.924 30 20 ICED Cc1ccc(-n2nc(CCCNC(=S)NCCNS(C)(=O)=O)c(C#N)c2N)cc1 751901896 HBQXRRAPWDTEPE-UHFFFAOYSA-N 435.579 0.581 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)CC1 755242784 JKNAYRRCVDIFIK-UHFFFAOYSA-N 425.445 0.448 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CCC3)s2)c1=O 758060109 ZENKFZKTDHADGE-UHFFFAOYSA-N 440.550 0.629 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 758639557 FRCALYGPDVROLT-HIFRSBDPSA-N 433.494 0.914 30 20 ICED CNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 761631034 SRMBOBDZIGGJDA-XLNRJJMWSA-N 436.538 0.395 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)n1 789794087 XHYVIEUSFKFQRA-UHFFFAOYSA-N 438.532 0.882 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(COC)o2)c1=O 794582796 SIOXIZGHXDZLLT-CQSZACIVSA-N 432.498 0.794 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2F)c1=O 799939852 PDCVYKHZLYJXII-ZDUSSCGKSA-N 429.473 0.345 30 20 ICED N#Cc1ccc(N2CCN(CC(O)CN3CCN(c4ccc(C#N)nc4)CC3)CC2)cn1 801553324 SNZIEDXUIGABOR-UHFFFAOYSA-N 432.532 0.525 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)[C@@H]1CCCO1 809311897 XDARIPYJFVXYSM-AEFFLSMTSA-N 430.461 0.939 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CCC1 814254521 WWWBNHJISKJCKU-UHFFFAOYSA-N 429.546 0.897 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 916874957 IPHDCMMUEPHHMJ-RVKKMQEKSA-N 437.518 0.960 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3ccc(OC)cc3)CC2)c1=O 917487967 YNZPNYRGHJJERL-UHFFFAOYSA-N 427.505 0.722 30 20 ICED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1287919175 NPZUVELNIMCGCT-QGZVFWFLSA-N 439.586 0.691 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1315633190 XLCZSDZLQVVSEF-QGZVFWFLSA-N 448.549 0.934 30 20 ICED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C 1615872260 LJEYLJYBHRUYFL-INIZCTEOSA-N 447.565 0.808 30 20 ICED COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1653013891 SGYSGTXRHVTLGQ-LJQANCHMSA-N 449.467 0.907 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696095499 XYSVNQZSSYAULS-XMSQKQJNSA-N 445.568 0.975 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705747562 OYRYGELKUURYLU-NWDGAFQWSA-N 425.964 0.654 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710458234 TVAGXLMOWQOSKS-LEWJYISDSA-N 449.531 0.536 30 20 ICED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1711222512 XGJNNOGBBYCGHV-QFIPXVFZSA-N 442.520 0.649 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777779613 WTKTYVDRMPZCAE-HRAATJIYSA-N 428.493 0.776 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779110007 XPSYWFSHGONOQU-IFPAPICYSA-N 438.525 0.650 30 20 ICED O=C1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)CN1 1779440586 IYJGHGPTUVHSOW-KXCPTRETSA-N 430.505 0.739 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1779540721 DPPRFNQHFJOAMA-ACJLOTCBSA-N 428.411 0.921 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779865794 QJRXLPKJUMHASQ-JLTOFOAXSA-N 435.481 0.983 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780173998 LWKSAKIZAAUCOG-XUZZJYLKSA-N 449.511 0.975 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1 1780695889 MLZSJNHDTNYICB-OAQYLSRUSA-N 433.428 0.047 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1781268009 FPRMSXWMFFDXQH-NRFANRHFSA-N 427.461 0.911 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cnnn1 1781302230 LOJCZWSAEQONAX-VLIAUNLRSA-N 427.440 0.317 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782221776 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30 20 ICED CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078847 BHDCWFDIBQMINU-JYJNAYRXSA-N 436.505 0.812 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)[C@H]2C1 1791102290 LNEDMEYJNKMETA-VGWMRTNUSA-N 437.493 0.056 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1)n1ccnn1 1792148531 PMTKUKYMQDSZCD-CAIZAGQASA-N 438.488 0.769 30 20 ICED CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793243864 PTFVKINIOWJUOR-HCBXPFHNSA-N 426.517 0.995 30 20 ICED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793374787 YQZSRXCAFAWZJX-CEQLMSFQSA-N 426.517 0.995 30 20 ICED 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)CC#N)C1 1795085121 BAOFATADKIHICB-PDDMAZILSA-N 448.520 0.514 30 20 ICED 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 1795584596 KAPUJWFTCPWSQN-AHDPXTMNSA-N 430.571 0.136 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796616355 AMDZFUOOWLKTEG-DCXXXQMHSA-N 444.532 0.713 30 20 ICED CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)c1ccc(F)cc1 1799057356 ITNGXMLFBTXKGH-UKBAYJJMSA-N 428.464 0.896 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799237871 NJLHWHXDHPWOBY-XCRNZQRYSA-N 425.485 0.737 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(OC)c1 1799284385 CYVKUIGZQMSIJA-DMUMMCEESA-N 428.489 0.970 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1799304871 DMOCMZSGIFMSFH-XAPVIXHLSA-N 441.528 0.800 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800247535 REMQIFZNRXAQQY-YYIAUSFCSA-N 430.509 0.833 30 20 ICED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1800836849 OCGKHALHBLPTQZ-UKBAYJJMSA-N 432.583 0.600 30 20 ICED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)o1 1801992296 BPBGASKVVNBRKX-VPTLXERWSA-N 425.445 0.461 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716233 KXGZUMDAQGOUJM-HKUYNNGSSA-N 440.491 0.585 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2ON=C(c3ccccc3)O2)[C@H]1c1cccnc1 1812880415 KEHZRGGAKBMGRK-KPDCDPCYSA-N 448.435 0.910 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1815197909 GJBXNZNQXWNTQI-APWZRJJASA-N 444.536 0.604 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)CC1 1817109758 QKVHVALTCKVQNJ-QGZVFWFLSA-N 427.509 0.870 30 20 ICED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1822027028 YMWMDELYMKHPLC-ZFJBLLOBSA-N 446.508 0.401 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccco3)CCO2)C1 1829819766 NJRMEROQKVZRAC-UWJYYQICSA-N 434.493 0.051 30 20 ICED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1829942727 GVXNSLKJMXNWBN-QFIPXVFZSA-N 431.489 0.818 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C)COC2)CCO3)c(C#N)c1 1830034189 LDOASIKYPKTVFH-HSZRJFAPSA-N 443.500 0.602 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1830060875 VUCGWJXLWUULMH-JKSBSHDWSA-N 432.521 0.394 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830634376 MYWYLVWFNMDEMQ-REWPJTCUSA-N 445.516 0.800 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831201450 MCRNFKRBCAHENP-QHCPKHFHSA-N 442.516 0.935 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1831747621 FKZLYANMDYOEDW-TZBIDGDQSA-N 439.494 0.137 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833438954 LDBXWCHBKTXXIF-OAQYLSRUSA-N 436.509 0.482 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n(C)n1 1833439246 OHIIPUYNLWBTON-VQIMIIECSA-N 426.539 0.453 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c(F)c1 1833632191 XIDFXCGASQSEPZ-NRFANRHFSA-N 443.435 0.813 30 20 ICED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1834407053 WHZVXXCMQIWVCV-QHCPKHFHSA-N 444.532 0.672 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)CC1 1834599971 JLBHWHRXKDRPBP-UHFFFAOYSA-N 429.481 0.667 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C1CC1 1834758858 YFPSWISCDGLIMC-UWJYYQICSA-N 436.509 0.660 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835240017 LESNPSKMRFYMNZ-QFIPXVFZSA-N 431.489 0.220 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)C2)CC1 1835342062 JDWHSASLTXVNIL-JOCHJYFZSA-N 436.472 0.641 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835364763 DBRVLRIKFDVQRG-AUSIDOKSSA-N 430.501 0.698 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1835701641 LXSLRRKZWIITTL-YWJMUIPNSA-N 441.488 0.250 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836081586 NXSHYSFFXNWZKR-LIRRHRJNSA-N 439.538 0.646 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535966 ZPADXLUDOJNFPP-UHFFFAOYSA-N 446.539 0.056 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883740 CWWGXBIZZMWMAA-IIBYNOLFSA-N 429.477 0.390 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)c1 1837252804 HYABDHCDYSUWJX-FUMRIQNTSA-N 438.484 0.463 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837311843 OHCZFZVFDBTJQL-XMSQKQJNSA-N 430.505 0.468 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1837397654 YSQMIKGEAGAMPD-PGRDOPGGSA-N 433.505 0.733 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3c4ccccc4S[C@H]31)CCO2 1837475690 SDZYNVMXOMZBGF-DYQZNNLLSA-N 442.493 0.419 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837806181 XCKZTJLXHKMIDT-QHCPKHFHSA-N 444.532 0.795 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837970723 VYNGSLYSTUOYHR-NRFANRHFSA-N 436.461 0.351 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1)C(F)(F)F 1838404376 PKTJSVMFFHEWFN-IBGZPJMESA-N 449.470 0.754 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)ccn1 1838719263 OSCXTPXDGZUVIV-HSZRJFAPSA-N 441.484 0.742 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1838907783 NTQFQWKHUVWDSA-NRFANRHFSA-N 426.429 0.422 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1839173424 PCBJRAPEPCRKKA-NRFANRHFSA-N 435.477 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1839175156 SBXJLKKCFNHJMU-JOCHJYFZSA-N 449.504 0.741 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839229021 XGSMYNCEAZXZMF-RDTXWAMCSA-N 440.526 0.154 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448754 SIALSFHROCYLRV-BTYIYWSLSA-N 435.477 0.969 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839484150 ZPJUFTMTMMCLDH-BLVKFPJESA-N 449.489 0.859 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549339 AWILOQSFBUYMBI-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1)C(F)(F)F 1839893135 MZOGCUSVLLFDEQ-AWEZNQCLSA-N 430.326 0.671 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)C2)C1 1840162923 AOEXUSNVJDRWMB-HKQJQZHMSA-N 440.587 0.957 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840176688 QVBZQJQKYUNBGW-QHCPKHFHSA-N 439.468 0.762 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840945597 ZYUKTMMPWOWCAH-LJQANCHMSA-N 440.472 0.315 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)N1CCN(C)CC1 1845101157 YNZPORYSVWYFRT-GOSISDBHSA-N 425.533 0.776 30 20 ICED Cc1cn(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)c(=O)nc1O 1846970156 PXNMVDSMCBXHOJ-UHFFFAOYSA-N 439.447 0.714 30 20 ICED CCc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 410146959 FPUNANFEYCFARX-LPHOPBHVSA-N 436.534 0.630 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410156466 YKHVIIXDQDQQQN-VQIMIIECSA-N 447.561 0.704 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 435165240 NHRXOZFPOVPUOV-AWEZNQCLSA-N 449.562 0.951 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)(F)F 443336486 QQRYIFDQLUMASI-LBPRGKRZSA-N 435.380 0.403 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)CN1CCC(C)CC1 460589718 BHDYBLJUMUBIND-QGZVFWFLSA-N 425.493 0.595 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)N1CCSCC1 462105604 VKDKSCMDRCDODR-UHFFFAOYSA-N 435.535 0.948 30 20 ICED Cc1nn(C)c(N2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)c1C#N 472439945 WDIKBEAVMPPQFC-UHFFFAOYSA-N 443.533 0.192 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccon1 480952364 IRHWRSAOOBKMEU-UHFFFAOYSA-N 428.495 0.821 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 489245655 ANRXJSHNSMJWDT-GFCCVEGCSA-N 437.503 0.475 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 516678432 PUHCDWZRQWSCDH-XLIONFOSSA-N 444.532 0.640 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)S(C)(=O)=O 518506753 ORMDENQLDSPZAL-AWEZNQCLSA-N 429.502 0.304 30 20 ICED N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc2n1CCS2 521039316 DVROMDAXMRGFOD-UHFFFAOYSA-N 432.487 0.233 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC3(C#N)CC3)CC2)cc1 521389884 SXWSTRRXILNDCG-UHFFFAOYSA-N 434.518 0.728 30 20 ICED Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N 522010916 CQMSZYBGSAYVSR-UHFFFAOYSA-N 433.578 0.897 30 20 ICED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 523563983 YHOSUIFJKVYVMT-HNNXBMFYSA-N 434.503 0.332 30 20 ICED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 525197162 PDRZICSPSPCKAG-UNASGJGJSA-N 436.472 0.900 30 20 ICED C=CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533524509 SPEMTYFXMAEQRW-CVEARBPZSA-N 446.616 0.939 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 549675122 AIARRDWBDDDUOK-CQSZACIVSA-N 448.553 0.285 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 553906006 BQGNKSWNLXFNJG-MRXNPFEDSA-N 446.511 0.882 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1C#N 553959558 YIDAEKHCXSIUCW-OAHLLOKOSA-N 435.554 0.388 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3F)C1)CC2 557501487 KEYMIKKAALQAHQ-JKSUJKDBSA-N 425.468 0.814 30 20 ICED CCCNC(=O)CN(C)C(=O)Cn1cc(I)c(C)c(C#N)c1=O 577249525 SPYIFLLWKRSAAA-UHFFFAOYSA-N 430.246 0.618 30 20 ICED N#Cc1ccc(S(=O)(=O)CCn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)nc1 588829294 MRKGXLYMCNWDSB-SFHVURJKSA-N 439.501 0.987 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 590272808 HMWHOPHPSNSQEP-OAHLLOKOSA-N 429.458 0.480 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C1CC1 590997037 QBYNVHKLQRKODY-UHFFFAOYSA-N 426.498 0.469 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)cc2)c1=O 603793469 PZAHRQYFWDSPNN-UHFFFAOYSA-N 425.510 0.856 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2)c1=O 603793645 TYVDVPPNPSQOTI-UHFFFAOYSA-N 426.517 0.902 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 603794519 GDMBDWWJHAJAOO-UHFFFAOYSA-N 433.555 0.760 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(=O)N(C)C 611492486 WITMKCLCQIISND-UHFFFAOYSA-N 430.505 0.475 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 615254687 NPKSDQNNBNSAFE-UHFFFAOYSA-N 445.520 0.687 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 726043759 RGVLTHPKFGHOOY-CYBMUJFWSA-N 442.428 0.660 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726583501 BIDYUQFGLRZUEO-UHFFFAOYSA-N 439.472 0.585 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 728536020 FDNISNZBQPRNPL-UHFFFAOYSA-N 434.452 0.583 30 20 ICED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 728571043 URPKINDIFPIOPA-HXUWFJFHSA-N 425.577 0.523 30 20 ICED C[C@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)CCC#N 729659137 PHJPVWCEUGHDAZ-AWEZNQCLSA-N 439.490 0.820 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673103 DVWDLVMICAZCRD-UHFFFAOYSA-N 434.539 0.691 30 20 ICED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 729766289 NBMXVCBDWCQSPL-UHFFFAOYSA-N 442.490 0.283 30 20 ICED COc1nn(C)c2nc(C)c(CCC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(C)c12 732910983 WOJWJUVOGNUFAR-OAHLLOKOSA-N 447.517 0.492 30 20 ICED CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 733670462 OTWAJQVTEUGIEE-JOJWKMGHSA-N 435.550 0.848 30 20 ICED COCCNC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742509955 HTFFESITJOYIQE-CQSZACIVSA-N 436.534 0.505 30 20 ICED C#CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746267103 LXMUFFXTIZONAP-UHFFFAOYSA-N 435.527 0.991 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)CC1 747854735 PNLYSXNNZNMPKT-UHFFFAOYSA-N 430.505 0.881 30 20 ICED Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 757607296 WUDSMKWRFSUSBF-OCCSQVGLSA-N 442.476 0.430 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 761031267 PGRJLZRYFBIEFD-FQEVSTJZSA-N 434.562 0.834 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O 767672910 AKKAZLNYTCDWPP-DYVFJYSZSA-N 431.474 0.697 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768487010 TXMXKLLJVMBWRN-GALDBLJUSA-N 431.478 0.865 30 20 ICED CC(=O)Nc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769843859 QAEUZKLTBGDDPX-UHFFFAOYSA-N 430.442 0.977 30 20 ICED COC(=O)C[C@@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 770163259 GRPZCDIEYDGWMC-KKSFZXQISA-N 428.445 0.992 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@H]1CCCO1 773793616 KLRDYFOHWLVTOW-HZPDHXFCSA-N 435.502 0.715 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 780102912 JJTSVEHQUDEYII-GOSISDBHSA-N 435.502 0.290 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3c(C)cc(O)cc3=O)CC2)o1 782284882 DFYGACUYCGTALB-UHFFFAOYSA-N 429.433 0.313 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)cc1 787972092 OVJNGVMTFPNMIR-JZZHWFMQSA-N 444.460 0.666 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n1 789325355 CRAIEBFCDSLCGO-QFIPXVFZSA-N 438.488 0.845 30 20 ICED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 797541869 YOBWPKXMJWKTJZ-AOMYKUFJSA-N 449.533 0.423 30 20 ICED C#CCC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 799077697 OAWCITJSOREZJU-OAHLLOKOSA-N 426.491 0.748 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(C4OCCO4)CC3)C2=O)cc1 808174792 PAUOXKWLJWNFRW-GOSISDBHSA-N 426.473 0.781 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCCN1CCCCCC1 816746156 LCOYIZSQODRQDS-UHFFFAOYSA-N 435.550 0.224 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)cc1 916198273 JBGDSBVHHQDEFX-UHFFFAOYSA-N 431.514 0.221 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917013752 PEWAUZCBXGVKLQ-SFHVURJKSA-N 443.460 0.591 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 1141383443 PYZKZLWGTDPPFN-HLIUYOAVSA-N 427.548 0.945 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1Br 1185602936 KRKUWRLEDBMICT-AWEZNQCLSA-N 448.364 0.960 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1298128649 WYMSKQXPRUQLCH-KRWDZBQOSA-N 428.518 0.966 30 20 ICED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299801457 MIVVSMMHKSVDHI-LIRRHRJNSA-N 426.498 0.925 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1320273072 HZMDIGFIWLUILW-UHFFFAOYSA-N 434.518 0.691 30 20 ICED 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425.482 0.363 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1835359286 BTQVWVXHJOUVEA-LYSGITKLSA-N 430.461 0.212 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)c(O)n1 1835384101 JGAPOTPYWAMSOM-QHCPKHFHSA-N 446.548 0.928 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128421 RAOSUXHPQKTQBA-VGOFRKELSA-N 449.504 0.039 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1837396401 CMVAMMWYWWRXDZ-YDHSSHFGSA-N 446.548 0.501 30 20 ICED N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1837795317 PNBURULGMNRCIJ-UHFFFAOYSA-N 442.520 0.933 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838756131 VNSLKLXTESJTNX-IERDGZPVSA-N 435.525 0.694 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1838951181 CIMXZSJSOVWWMZ-HXUWFJFHSA-N 440.416 0.573 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485985 GMZPTZSWPOEAFF-QRQCRPRQSA-N 441.488 0.787 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccc(C)c34)CCO2)C1 1839610539 QEAPEKHMDPUDLT-WZONZLPQSA-N 440.500 0.751 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1839806431 OIGBHIKIYQQVLP-NRFANRHFSA-N 426.429 0.639 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839875919 ZWWWHMYORMLIFM-GAJHUEQPSA-N 442.516 0.472 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839889361 QVUMIOCUIHMWBS-BEFAXECRSA-N 439.463 0.945 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1840042850 QLWLHYXOMYXOIJ-QFIPXVFZSA-N 438.440 0.030 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)cc1 1840227076 FDZGDJNKHZERPZ-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274289 CPDXRDAGGCYKPH-IRZJEQJZSA-N 438.521 0.503 30 20 ICED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840312085 LBFXFMPQZAMOAI-HWWNHIDJSA-N 429.473 0.944 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325048 AZIIVUHPGVLJAX-SKPKZUESSA-N 449.508 0.328 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)c1 1840594899 YSWZMQOCQFMFTL-QHCPKHFHSA-N 443.500 0.942 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)CCC1 1840812991 WZMRLKJRNVGFTQ-PGRDOPGGSA-N 427.505 0.622 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840882037 BWJCYXXLCQPJNJ-QRWLVFNGSA-N 430.567 0.987 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1840928968 SNNKISGLFNQNLJ-DIVQNALZSA-N 449.596 0.646 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847813445 YCVALJXFBDAEGG-COXVUDFISA-N 436.472 0.977 30 20 ICED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 18662320 XGDVIMTWLIOUPK-HNNXBMFYSA-N 435.502 0.749 30 20 ICED C=CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 410067195 MZYVDDXECUXNGC-ZFWWWQNUSA-N 438.955 0.475 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 427805515 PIRORMMWGUWAGV-WBVHZDCISA-N 433.534 0.829 30 20 ICED C[C@H](O)CN1CCC(CN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 439855683 IFFGNWOTLLELJF-HNNXBMFYSA-N 442.495 1.373 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)ccc1OC(F)(F)F 443306899 BOPQOLWANGTMSN-UHFFFAOYSA-N 434.396 0.922 30 20 ICED COCCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 444751699 QCOKBNOSIQSOQP-SFHVURJKSA-N 436.534 0.128 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461821446 YXNGBERIWORIJH-OWCLPIDISA-N 426.543 0.918 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1CC 467559834 LMTASAFYZGVSRX-CQSZACIVSA-N 443.525 0.899 30 20 ICED CCS(=O)(=O)C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 499266636 QGKJNYGNBJFBIK-AWEZNQCLSA-N 427.548 0.898 30 20 ICED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C(=O)OCC)cs1 501951521 GOSPXIJUTAPTRW-UHFFFAOYSA-N 432.462 0.286 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1CCC#N 504489100 ORTLUYRXPVDHHO-UHFFFAOYSA-N 430.490 0.577 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2=O)cc1 505166965 WEQWDCLSWGCSPV-SFHVURJKSA-N 430.428 0.784 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 507389455 BKVRLMZHVMWTMI-IYBDPMFKSA-N 442.563 0.360 30 20 ICED COCCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 515511521 KCXFOTDFHGJGNO-UHFFFAOYSA-N 438.550 0.376 30 20 ICED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 522807143 PCGDGBUYUMWRMO-UHFFFAOYSA-N 431.901 0.929 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 524344069 UWLNIHSWFCMSNV-UHFFFAOYSA-N 449.536 0.598 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1 525017596 BUYXFKIFLZYRBQ-UHFFFAOYSA-N 445.544 0.941 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O 534741113 SHWPYVLJRSWVRH-AWEZNQCLSA-N 438.362 0.682 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 561783104 IISRFWSTRKSWFS-ILZDJORESA-N 448.495 0.719 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 572687025 LBAIWBJLARNEDC-LLVKDONJSA-N 435.366 0.604 30 20 ICED N#Cc1ccc(N2CC[C@@H](c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)C2)c(F)c1 580632152 AIVFRESLXAWHBG-CQSZACIVSA-N 433.465 0.874 30 20 ICED COc1ccc(-c2n[nH]c(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2)cc1 581340752 MRCIUQITOKTFMW-UHFFFAOYSA-N 426.458 0.947 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 584188965 DRPMFJZODISPTG-NVXWUHKLSA-N 429.564 0.989 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 584484290 YETOGOSJNYEVRF-INIZCTEOSA-N 441.532 0.659 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1 610682549 RBXCADFHQNCCPB-MOPGFXCFSA-N 448.545 0.271 30 20 ICED N#CCN1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611644842 USKSETIITUWUMQ-AEFFLSMTSA-N 440.953 0.816 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 612204179 MWJKBVXRJXWRGG-UHFFFAOYSA-N 428.474 0.149 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc([C@@H]2CCCO2)o1 727506168 BZCNEHPKOCCDNU-NSHDSACASA-N 435.418 0.142 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C[C@H]2O 728387876 POYBUYBURKTWFX-CQSZACIVSA-N 431.470 0.818 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NCc1ccccc1 729382268 VDQNTUXIUKHGOI-AWEZNQCLSA-N 444.469 0.794 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 732663502 VSEJOSUKHQLAPP-UHFFFAOYSA-N 449.561 0.982 30 20 ICED Cn1ccc(N2CCC[C@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 741824557 DTAZNSPFXXBRFI-AWEZNQCLSA-N 431.474 0.588 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)CC1 749665509 DFIVMJVJEIBVBI-UHFFFAOYSA-N 430.505 0.522 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 758472684 JACFBIKOONBLRC-LSDHHAIUSA-N 429.543 0.764 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760385676 VNBXLJSOXJEOJA-UHFFFAOYSA-N 443.554 0.245 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 761031192 PCHZYBHVNZNDRK-UHFFFAOYSA-N 434.518 0.752 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCNC(=O)c3cccnc3)CC2)o1 772377710 ZNHYUSICCYXMPC-UHFFFAOYSA-N 440.460 0.652 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 775702848 YAWAOLUZBGBZSR-UHFFFAOYSA-N 425.379 0.828 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1CCCO1 775798316 GULDDFCYBFQVOX-LEWJYISDSA-N 431.558 0.779 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 783474787 JHNDXINXXOKPKJ-FCEWJHQRSA-N 433.530 0.888 30 20 ICED C#CCN(C(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2)[C@@H]1CCS(=O)(=O)C1 783478572 FOBFMIJVWKYANI-MRXNPFEDSA-N 426.498 0.948 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 783481917 ZFVSEQNPSVHYEU-CYBMUJFWSA-N 429.433 0.470 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783956693 FRORCYKVCDQQLP-UHFFFAOYSA-N 446.872 0.370 30 20 ICED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785187171 WXSNQWYACOYLIC-PYCFMQQDSA-N 435.550 0.991 30 20 ICED CN(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 787056838 AOKZRQVEVOCOMR-HNNXBMFYSA-N 431.430 0.879 30 20 ICED C#CCN1CCN(C(=O)CN2CCC(O)(c3scnc3Br)CC2)CC1 797524842 OPTFJUDRAIQAHJ-UHFFFAOYSA-N 427.368 0.966 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2c(F)ccc(Br)c2F)c(=O)n(C)c1=O 799883383 ZQKZUPYUBVCTET-UHFFFAOYSA-N 437.222 0.437 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800043440 HVGDTFJVPVCVAD-UHFFFAOYSA-N 430.552 0.118 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800848965 NVPKWOHEEXMQMA-UHFFFAOYSA-N 425.466 0.290 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806764768 JRWULVQHWIMKCX-WMLDXEAASA-N 443.504 0.805 30 20 ICED CN(C)c1c(C=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(=O)n(C)c(=O)n1C 807962029 BIZJGQDSEZJYET-UHFFFAOYSA-N 437.526 0.068 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C[C@@H]1CCCC(=O)N1 808981832 UFCXRHKDYCWDTL-AWEZNQCLSA-N 426.429 0.968 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812380450 MBCGHPKHBZXESL-CVEARBPZSA-N 444.517 0.589 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 837370603 WZIWCSJLBFJOBL-UHFFFAOYSA-N 429.546 0.632 30 20 ICED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916874408 FBLMHJQNEUKUGD-KRWDZBQOSA-N 434.518 0.826 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 919024770 XRRMVIIUMCDBPH-AWEZNQCLSA-N 426.495 0.211 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 919227906 XXKZGMNSVMFFPD-CYBMUJFWSA-N 440.474 0.019 30 20 ICED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1295878620 SRURRMKXTBXESC-UHFFFAOYSA-N 425.536 0.732 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314941371 HYCHAOZCDXKCOH-ZBFHGGJFSA-N 449.581 0.129 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1320135077 JXKMMPAUGDTUKD-HZPDHXFCSA-N 433.490 0.303 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508425645 RIQQAKQVQQYKNT-JKSUJKDBSA-N 425.559 0.303 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C1 1519532146 WXZAHMWJMXYTCD-QGZVFWFLSA-N 449.581 0.812 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1 1535190807 SBILTBQGJUDAIO-QZTJIDSGSA-N 432.502 0.075 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1548175320 JHUPWHPPEYPHRH-SJORKVTESA-N 437.570 0.415 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552394698 PKXWBLXVJRJCHL-QGZVFWFLSA-N 430.538 0.456 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1552729237 UIRFIRPICSLIFW-SFHVURJKSA-N 437.504 0.733 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1611772522 XWQYLDZOWPDHGK-LSDHHAIUSA-N 441.579 0.745 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615901987 NHMQGJIIWQXWNX-QGZVFWFLSA-N 442.568 0.853 30 20 ICED COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1619471661 KBSFVEDLVWJAIG-PBHICJAKSA-N 449.537 0.801 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1621626122 RIJVSABWUXRRAK-UHFFFAOYSA-N 436.538 0.873 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCO1 1622367115 RPZDXBWDOLJQPD-GJZGRUSLSA-N 438.472 0.968 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC2(O)CCOCC2)cc1 1750383963 IKOJWCGQPJVWQB-UHFFFAOYSA-N 440.504 0.972 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(C(F)(F)F)cn2)C1 1777801219 AWJPDKHWDMRWFU-RDTXWAMCSA-N 440.378 0.711 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc4n(n3)CCCNC4=O)C2)CC1 1778916896 OJAUKXWSCFINBW-VGOFRKELSA-N 440.504 0.448 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779103785 AUIGWWKPIBULLL-QDUSALGBSA-N 442.476 0.930 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779364299 SZVVIDAPCLIWCU-CJFCWMOSSA-N 444.536 0.841 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)cc1 1780698730 LUVFBSZUTLMVHY-QHCPKHFHSA-N 444.451 0.718 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1782190029 SCRMHWLGPMVBOA-NFBKMPQASA-N 432.565 0.468 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783053244 QVMKEWBTWQJLSL-VFNWGFHPSA-N 437.493 0.296 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21 1784482551 QLJOKKKRBZWCOR-UMGGQSCQSA-N 437.500 0.899 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643056 DOTHDXPPHLPIDE-XNTMEURJSA-N 432.477 0.689 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788880 IYESVTRJEGRGIT-NLSFWIRASA-N 448.564 0.847 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN(C)C(=O)C(=O)O)CCO3)C2)c1 1785084306 RKIRVQDWRBNWMM-IVZQSRNASA-N 442.472 0.300 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c2c1CCC2 1788022543 NSANRPKIEYILII-ZRRIGXHUSA-N 442.564 0.974 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)N1CCN(C)CC1 1788603976 FCKGCCYJPGJFIP-FSYDTGQUSA-N 448.612 0.074 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CC)n(C)n3)[C@H]2C1 1789065000 JNEXQMZDHPWYDI-SZWKITOBSA-N 429.521 0.434 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21 1791262579 YLMZINGTAUXCGK-MZGVZZPPSA-N 447.517 0.590 30 20 ICED C=CCC(=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 1792451165 FZFSZLFUJVSFOG-OYNZLANYSA-N 437.537 0.770 30 20 ICED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cccc1=O 1794585757 DAWCTGGTKPCWLU-TYGXFAMMSA-N 432.477 0.118 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C 1794786582 ZAONNVKAVSSFND-KYHPRHEASA-N 445.520 0.540 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1 1795414622 CPVWRUSEEBHCEK-OPMZPASUSA-N 430.526 0.636 30 20 ICED Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)n1 1795815631 YVMMCPLIGYZXDH-VPTLXERWSA-N 427.436 0.764 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799146025 JYZOUEYGRJWVKG-BFMVXSJESA-N 445.564 0.259 30 20 ICED 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)CC1)C2 1799355506 OZBGILBOHNVVHQ-QKPAOTATSA-N 436.509 0.155 30 20 ICED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)CC1 1799642170 FFRIQEQBVHHQHF-VTYHHJSWSA-N 425.533 0.203 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)c(Cl)c1 1799748998 CCWBZAUDVOUXAW-ZSBFGKGUSA-N 430.896 0.255 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1800142388 CCOUGUUMDKGTQG-XMTFNYHQSA-N 431.489 0.806 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801513610 BZFOIHMTSDOCSF-UCMABDKGSA-N 427.523 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@@H]1c1cccnc1 1802872146 KPTFPBQODCFTLN-JSWHFUAASA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)CC)[C@H]1c1cccnc1 1803508113 BSCQRWAPHJYZEZ-UXTXJKSZSA-N 448.545 0.381 30 20 ICED N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1 1809744776 DXBMPBPDYLQZTG-ANRKENSESA-N 434.541 0.587 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452310 JUVJYYYDWUCUDB-WITJGNNASA-N 446.512 0.771 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1819705885 HGTACGMQFYRTPO-GXFFZTMASA-N 435.506 0.180 30 20 ICED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(C#N)cc3)sc2C1)C(=O)C(=O)O 1822171419 LTAUNQQNZUCBEP-ZDUSSCGKSA-N 441.469 0.784 30 20 ICED CC(C)(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1829572290 KFHFGEMRXQIIIU-JOCHJYFZSA-N 429.473 0.537 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)no3)C2)C1 1829768692 DXAVMRXNVYOMHI-QJKPHDSHSA-N 446.504 0.726 30 20 ICED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)COC1 1830025395 LYUCHBDJOSVEML-HSZRJFAPSA-N 427.501 0.984 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1831413075 MEJYBEXNVNXMRI-UWJYYQICSA-N 442.509 0.987 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833191876 YUJJOCOZCJIEIL-UGKGYDQZSA-N 434.537 0.958 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470080 VANREKFDPAWZKX-LPHOPBHVSA-N 425.507 0.110 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1834572066 UMWYTYFMRGOCBG-UHFFFAOYSA-N 432.546 0.788 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1835357415 XSAYSXMQARIAES-QFIPXVFZSA-N 443.504 0.292 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513234 MYRJXYPTJHHOCL-LJQANCHMSA-N 447.624 0.934 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1835514080 ZNZLWBYVQPOIMK-IBGZPJMESA-N 435.481 0.394 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835766070 WGDUSHLIDKTAIL-QXMPAIGCSA-N 436.553 0.858 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836047513 LPWRHNXJXBZDAR-HNNXBMFYSA-N 444.536 0.352 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1836865257 YYOIHPVFNZYHIY-CRAIPNDOSA-N 425.526 0.639 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3c(s1)CCCC3)CCO2 1836881914 JSOFCLJMGVNHOG-OAQYLSRUSA-N 432.498 0.785 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)c1 1837168958 CZCLBMPQRIXAFQ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837238305 IMHWBINQVJZBKS-YKGWIAGDSA-N 432.542 0.653 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)c1 1837318813 BTHDNDUBTZFFSS-QGZVFWFLSA-N 444.366 0.062 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1837394555 CPGARSMUQWWRDO-IERDGZPVSA-N 436.509 0.072 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1837402993 NBOBBLPVKOYORD-ZJBJCVSYSA-N 434.537 0.782 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1837955189 WVCINMTZLKKWSU-NRFANRHFSA-N 425.445 0.674 30 20 ICED CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)co1 1838135687 WTAQKTAVYXBXKM-MHRHTVJOSA-N 433.509 0.779 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1 1838352371 GQRGWMMPAGKIIG-QRWLVFNGSA-N 435.481 0.356 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1C 1838907580 AHGBYOALDWCSMU-QFIPXVFZSA-N 439.472 0.684 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)cn1 1839224260 QEXBPSXIILGLJW-FOIQADDNSA-N 435.481 0.356 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1839224524 LKBMXVQJECHDDG-SFGWALBWSA-N 447.536 0.729 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1C 1839226402 NPPUBTGWETWCIM-QRWLVFNGSA-N 437.497 0.300 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839228467 FDAUXQSKLCYZQL-OXJNMPFZSA-N 435.481 0.113 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497098 SBKFDHVRRSOGKH-JTSKRJEESA-N 428.489 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839688835 RYGUDOPQSZCGHS-BEFAXECRSA-N 426.416 0.866 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840199787 LOHOVEMTOXTCOW-DENIHFKCSA-N 447.557 0.937 30 20 ICED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840388357 TZFSDGKSDYGMPT-QFIPXVFZSA-N 440.504 0.942 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840492168 GLXVXVNGTHMTPE-IPIYSKPDSA-N 443.504 0.921 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1846560768 BXVFMNIOBCTEEB-SZMVHAFZSA-N 429.525 0.132 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)COc2ccc(Cl)cc21 1848038765 NOCKFHITDUIYRK-KBPBESRZSA-N 431.832 0.355 30 20 ICED CCC(=O)N[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60320406 LUBFAFQEGPIUQV-SFHVURJKSA-N 447.561 0.382 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 430397950 XFYOAGSTZFVEQU-TZIWHRDSSA-N 428.533 0.544 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)N[C@@H](C)C#N)CC1 432127644 UTTFEPJWYMAZCX-ZDUSSCGKSA-N 442.925 0.990 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(C(N)=O)cc1 440383868 OFTVJBFQAZKUJM-UHFFFAOYSA-N 434.477 0.705 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N(C)C)cc3)CC2)c1C#N 472890267 HNVIUHAWZWJSSP-UHFFFAOYSA-N 437.504 0.518 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 475408560 IYPJZVITKOPYKN-UHFFFAOYSA-N 425.405 0.836 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 482763617 VZOSOSHUIQKSKK-UHFFFAOYSA-N 434.396 0.936 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 486012292 ZAOVINZCXWVNKJ-KRWDZBQOSA-N 432.440 0.035 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500602933 BDJKMHIFMUFGPQ-CQSZACIVSA-N 447.499 0.479 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2=O)cc1 503936199 IWVBZHLBVIFIJA-IEBWSBKVSA-N 426.521 0.940 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)cc1 508059712 RIUHDOGPYOSXLB-UHFFFAOYSA-N 448.545 0.932 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 508095101 MYQFXYADFWWGTA-ZDUSSCGKSA-N 443.469 0.703 30 20 ICED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 508509549 OFBOLIUEJBSPOX-UHFFFAOYSA-N 425.536 0.616 30 20 ICED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508817910 QCGRISXQWNKWKQ-HNNXBMFYSA-N 443.895 0.195 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 514519397 SENMIDUXOWRFMF-UHFFFAOYSA-N 447.561 0.383 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cnn(CC)c3)c2=O)cs1 523178495 VUWKUJQYKBEGIF-UHFFFAOYSA-N 440.554 0.916 30 20 ICED C=CCCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 533837697 JZHWQPTVUSAURZ-UHFFFAOYSA-N 441.506 0.364 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCCO1 533883311 KXGIVENKSVDPAP-QGZVFWFLSA-N 445.516 0.884 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1C 536412352 KZXNWWAXNXOKCS-UHFFFAOYSA-N 430.490 0.403 30 20 ICED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 537132581 ICVRHQDVMRXULE-IEBWSBKVSA-N 448.545 0.711 30 20 ICED N#Cc1ccc(OCC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 538596623 VYQJXUPBJJFVLL-UHFFFAOYSA-N 429.454 0.898 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544726127 QBZRLFVOVISFCU-UHFFFAOYSA-N 445.497 0.323 30 20 ICED N#Cc1ccc(C(=O)NCCN(CCN2CCOCC2)C(=O)c2ccc(C#N)cn2)nc1 546620607 YMAQGVLDWSWKDJ-UHFFFAOYSA-N 433.472 0.424 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 550259839 VXPZIBYMMWTNFT-CVEARBPZSA-N 441.531 0.031 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550817050 HQLHACUBKKYSLP-UWVGGRQHSA-N 439.266 0.832 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1)C(N)=O 553332999 ZGVQXLAAIVTZRA-UHFFFAOYSA-N 434.518 0.092 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 556422643 OGVTXMCIOYZJNA-MJGOQNOKSA-N 431.518 0.631 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)CC2 559502592 AQIXZEUSCUQKEL-UHFFFAOYSA-N 432.484 0.860 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1=O 560637208 XGLXGBMSTIPWJB-QZTJIDSGSA-N 428.489 0.666 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 565614502 XULYAVSITSGPEI-UHFFFAOYSA-N 426.477 0.582 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 568113295 AKYXKUOXZZIHJC-LJQANCHMSA-N 428.514 0.720 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2ccc(C#N)cc2)s1 572788106 LIGCRTNUMGEUOQ-UHFFFAOYSA-N 434.499 0.533 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 574457353 NGBMYDDMVACHKK-OALUTQOASA-N 440.610 0.828 30 20 ICED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@H](C)O1 579138702 KQRVSTCSOGFXKB-STQMWFEESA-N 426.481 0.560 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 580487215 MVIVJNFTSJZUKE-CYBMUJFWSA-N 436.515 0.622 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 589159024 FTYMCHRUOXXQJN-UHFFFAOYSA-N 434.315 0.886 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1OC 603793571 YWGMZVKHBMBHHV-UHFFFAOYSA-N 436.493 0.568 30 20 ICED N#Cc1ccc(NCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 604286482 SWJADKAWAANLDD-UHFFFAOYSA-N 428.518 0.633 30 20 ICED Cn1cc(C(=O)NCC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)cn1 609008829 ROTASXDFGAPYCC-UHFFFAOYSA-N 443.529 0.875 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 609560046 SWHPDLBLDRTNKV-INIZCTEOSA-N 441.513 0.986 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](CN3CCCC3)C2)CC1 610080146 FOILBVXMVIQVTO-IBGZPJMESA-N 445.589 0.809 30 20 ICED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 615244408 PTCRWNBLJRRFIN-LJQANCHMSA-N 436.520 0.704 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OCC)c(OCC)c2)CC1 729281531 GDVRWMPXQQHWQH-UHFFFAOYSA-N 444.532 0.498 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)cc1 730092134 AEUYUFLBMFDCGR-UHFFFAOYSA-N 442.541 0.820 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730659855 TWGNXUBEUARKRT-UHFFFAOYSA-N 441.448 0.580 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 733837761 OSYICKBNXRIHFI-BRWVUGGUSA-N 433.486 0.502 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495119 IWXFTQSIJVWCFL-UHFFFAOYSA-N 446.485 0.746 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](O)COc3cccc(F)c3)n2)cc1 749632635 AUATXJLPHRKWRB-KRWDZBQOSA-N 438.419 0.832 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)CC1 749808816 CDZZDUNYCYAADH-UHFFFAOYSA-N 430.549 0.607 30 20 ICED CCOC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759951854 WGXFGTBMHAJXET-GOSISDBHSA-N 437.518 0.980 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(Cl)nc1 763459997 DRZKBEICHRMFOV-UHFFFAOYSA-N 443.916 0.552 30 20 ICED COc1cccc(CNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 769237806 ATESRGDZTCRFGB-UHFFFAOYSA-N 431.470 0.983 30 20 ICED C[C@@H](CC(=O)N1CCC(C(=O)NCCCO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 769335010 KWLKLURUYUGARN-AWEZNQCLSA-N 436.534 0.241 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769642235 MDLCWRSRQOIEHL-UHFFFAOYSA-N 444.469 0.720 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770583192 IGIKQTPERBOBJR-SFHVURJKSA-N 440.815 0.801 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n(CCC#N)n1 772252097 AFKLENCCVFMYKR-UHFFFAOYSA-N 425.449 0.608 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 772598842 GGPPXPIHNKNJNH-PFONDFGASA-N 427.508 0.160 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 774239014 FZNPISOXICIVDM-STQMWFEESA-N 427.479 0.078 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)ccc1F 780135820 DSWBAYYJRCRFEM-UKRRQHHQSA-N 442.465 0.857 30 20 ICED CCCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 781708608 GDYMXAHKHCDDIC-UHFFFAOYSA-N 445.501 0.855 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)cc1 784911714 MAMGAIYCQUKGJT-HUSAPJIJSA-N 440.547 0.374 30 20 ICED Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 787482100 QIVNAVBWNOIMON-UHFFFAOYSA-N 430.472 0.807 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NCC2(C#N)CC2)c1 797544599 SQECYQBIMFWAPK-UHFFFAOYSA-N 435.506 0.132 30 20 ICED CN(CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 798107878 QPDXIPBNLTUSAI-MSUUIHNZSA-N 439.469 0.272 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)cc1 802634297 ZHLSIPKDMWJEKG-AFDUHFSSSA-N 426.470 0.371 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)cc1 804052403 YHKKWXXWGDPDNN-FHWLQOOXSA-N 425.489 0.149 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 805365012 PJKUFRWFVPRRII-ZIAGYGMSSA-N 442.563 0.386 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@H]1CCCO1 809304244 GMKSFWPRIGIYDE-ZYSHUDEJSA-N 430.480 0.594 30 20 ICED Cn1c(S)nnc1CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 815832711 DHWZNRVJQGQGIH-UHFFFAOYSA-N 428.453 0.988 30 20 ICED N#CCCN(C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652573 FWSRFTVMGULSTN-DOTOQJQBSA-N 433.486 0.512 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)o1 915378076 CKYOAPBAOGCOLG-KRWDZBQOSA-N 439.428 0.836 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2OC)c1=O 916198080 BWVCVSCZEZRGIX-UHFFFAOYSA-N 431.514 0.601 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919666301 KBKHHVMNEKSAHY-DZGCQCFKSA-N 435.458 0.095 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1303641669 SJHDQRJJZSCPRB-RKVPGOIHSA-N 426.543 0.918 30 20 ICED CCc1nn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1CC 1318407205 FCARHVNNRQAZLD-GJZGRUSLSA-N 436.534 0.434 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 1359447524 XDJHGFPBDHYJCW-SFHVURJKSA-N 425.493 0.636 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1610045967 VSBJGMFMPKCZST-UHFFFAOYSA-N 438.536 0.552 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC)C1 1690346168 MMCQIQSTVLRWLC-KGLIPLIRSA-N 435.934 0.215 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)O 1693747587 NEWALWDBBCFGAM-ZIAGYGMSSA-N 425.497 0.377 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1766249590 IREZDXSJCXLSPY-KRWDZBQOSA-N 445.549 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1777901762 UCOXXROFEPCISN-JOCHJYFZSA-N 441.488 0.991 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779556566 OPBBZKUMHNLVSA-LNNXQNCSSA-N 440.541 0.452 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c(C#N)c1 1781173884 JCWNZDICRUMCLW-HXUWFJFHSA-N 431.518 0.566 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)c(C#N)c1 1781174832 VCEJUFPASXBJCI-QFIPXVFZSA-N 440.456 0.733 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)cc1O 1781294659 BDXTUTWVGWBVNA-NRFANRHFSA-N 427.436 0.823 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300618 YGQPTUGKXDMBPO-FGZHOGPDSA-N 447.463 0.686 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C(F)(F)F 1781809962 VKJCBTJOCKDJJV-SJKOYZFVSA-N 435.399 0.162 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854346 KWPKRRCISCPUQD-BEFAXECRSA-N 429.539 0.579 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1782188112 AQAMCPGLJXBUNX-WIYYLYMNSA-N 439.578 0.034 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cn5ccncc5=O)CCO4)C3)c2c1 1782199621 TVRVDZKXDCZCQI-JOCHJYFZSA-N 447.455 0.135 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783555104 HMDGXZFLNJOADK-NRFANRHFSA-N 435.477 0.304 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1784009811 MEBBZNNGBSFDSM-NRYAXDJKSA-N 439.512 0.998 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1784492490 SPAFDUNQGCKJEK-WNHJNPCNSA-N 436.578 0.975 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1784612106 REZUCVMBNBHNMC-QHCPKHFHSA-N 427.501 0.736 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1785572563 MPBNHCVUZWHBNX-AOMKIAJQSA-N 445.520 0.780 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1785575532 CZAMVYSSAXVNDB-NLSFWIRASA-N 448.564 0.875 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4nc[nH]c34)[C@H]2C1 1787354932 IFFQUYVOUYPCKL-ZOBUZTSGSA-N 439.520 0.833 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1788638874 PAOIOQUBPNOGFY-BQFCYCMXSA-N 428.489 0.062 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1790827730 CPHAXQNUZYZIHZ-WSMBLCCSSA-N 436.534 0.644 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1791474676 AUXKMDZTLPFKQJ-ZKORBPAESA-N 435.502 0.823 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1792261553 JLKGYFDQIDLNHI-FJIDUMEYSA-N 436.553 0.444 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2 1792491117 ZYIUMSLCNVYMEK-XTLOUAGDSA-N 441.463 0.535 30 20 ICED 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)C1(C#N)CC1 1795412452 DWJZWBJUYLLSBE-PTZATXGZSA-N 444.532 0.993 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1795598159 IXTDYNNQNRFUBA-HGKCTWBKSA-N 428.489 0.900 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1797784924 AKLCLNYHIZKOJK-UPHUGPLXSA-N 428.489 0.144 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2)c1ccc(O)cc1 1801052067 YJWJEQRQBZDZCI-VXXLCZORSA-N 441.528 0.990 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1802489790 MKKQSCQMGYIQMP-FSRCSQEFSA-N 425.489 0.082 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808454696 LBNPKYLAGLGEQP-FXAWDEMLSA-N 426.477 0.889 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1809526977 NUERXNOYZRUTKG-POAQFYNOSA-N 428.489 0.968 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815766105 RCDIPHAMRLLHJZ-LSDHHAIUSA-N 432.481 0.983 30 20 ICED CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817054445 FQDCSWZBOWGUEC-YBPPGXJBSA-N 441.510 0.975 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825069507 SGJVFRXYZAETKG-QVOWHETESA-N 445.520 0.063 30 20 ICED Cc1nn2cc(CC(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)nc2s1 1825661639 YNLXGVCQYGXVEA-SNVBAGLBSA-N 444.498 0.798 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803574 FJJQRRJUMZHUHP-IAGOWNOFSA-N 445.497 0.904 30 20 ICED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1828925123 MXPOFUAYBODCKV-AVRDEDQJSA-N 442.520 0.028 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635772 ODUNJTOBNCAPJV-UZUQRXQVSA-N 442.516 0.472 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1830418476 ZDWJABPOIQPNGV-AZUAARDMSA-N 440.585 0.694 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831174103 DQTZZMBCFLPKOF-UZUQRXQVSA-N 442.516 0.472 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1831396511 NJJNRVNETDCUMV-FZKQIMNGSA-N 427.910 0.905 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1831401526 BEUYJQXTOBQSIX-HMFYCAOWSA-N 431.489 0.344 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831490786 LLPHEXQHYQUFII-OXJNMPFZSA-N 433.534 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnn(C)c3)CC2)CC1 1833073825 JAJJNBNQYBNNNL-PLNGDYQASA-N 428.537 0.464 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833131459 GWJAUUJXKHWVJP-JKJLQIMHSA-N 443.548 0.861 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1F 1833705355 FIYIGILBPHIKHX-ZYNADVRWSA-N 447.467 0.650 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835055770 BJMSZBNMORBFEI-JWGRYVKWSA-N 449.600 0.477 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099665 PQQOJRVEWAIACY-HSZRJFAPSA-N 437.500 0.981 30 20 ICED O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CCN1 1835102404 RACDTFLXCGMWLA-AUSIDOKSSA-N 425.485 0.021 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834215 ONIUUALEBRPQFN-SFYKDHMMSA-N 446.548 0.501 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1836848484 OTBSRGMWKFCXEI-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155944 UXUHNWCQRJIZLW-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527586 QHUYFJJXZDAVHT-FBWGCAEPSA-N 440.541 0.360 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837564419 MSBBBUZAQPYWNO-NYNQOQISSA-N 444.488 0.943 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccc3)no1)CCO2 1837998240 WJBGAAWKYFHEOP-JOCHJYFZSA-N 439.424 0.500 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccc5nc[nH]c45)C3)C2)c1 1838736063 HQGBDTBFPJEVFR-OAQYLSRUSA-N 435.444 0.541 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)c1 1838906155 UMKOGCMZOWOWAB-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)cc1 1838950926 OBKNNXMJVDEEPJ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)CCO2 1838982234 CRDFDHDQTQUKRT-UFTUAFODSA-N 427.501 0.923 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1839361016 LRWXBKPALRMGHX-WMZHIEFXSA-N 440.500 0.349 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc2nccn12 1839549578 CQRZGPCHYOJOJG-JOCHJYFZSA-N 438.488 0.802 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C)CCO2)C1 1839817112 IKLQSPWTYRBVFD-PAAJWNESSA-N 435.521 0.936 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840233477 LKSSPMCMDSVHPM-AOMKIAJQSA-N 444.463 0.294 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840512629 HCSLXHXHVYZZHP-DKYZEMOZSA-N 431.489 0.527 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(C#N)cc4)C3)C2)C1 1840568350 PUOSHLKXICFJPD-HSZRJFAPSA-N 426.517 0.509 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820415 OAHMRZZPWIWTCD-MBSDFSHPSA-N 444.532 0.734 30 20 ICED O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262169 XAILCVMOEQXHME-UHFFFAOYSA-N 436.859 0.940 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@@H]4CCCS4(=O)=O)C3)c2c1 1845914560 WYMGUEIPQLWIKP-INIZCTEOSA-N 427.486 0.829 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1847644956 XUPQHANPYBDANJ-DKIMLUQUSA-N 433.505 0.805 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16937724 XUECMLJMIIUTTR-ZDUSSCGKSA-N 440.478 0.707 30 20 ICED CCOc1cc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)ccc1[N+](=O)[O-] 410413192 ISQIWTJFURCMOA-OAHLLOKOSA-N 425.467 0.585 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CCC1 430985762 YEGLZXVLMNQXSQ-UHFFFAOYSA-N 438.553 0.586 30 20 ICED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 431460690 XZPAMNWXFJFBCV-YMGMXPECSA-N 435.531 0.558 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)n1 444513113 YEGHFNZFZAIRTN-UHFFFAOYSA-N 426.477 0.763 30 20 ICED C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 447491983 MAZNKROHBVNUQG-INIZCTEOSA-N 441.554 0.492 30 20 ICED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C2=O 465134888 YHKJQZVVHPNRKY-PDSXEYIOSA-N 425.493 0.886 30 20 ICED CC(C)[C@@H]1CN(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471213848 VOPDUQLFLCCRHW-IBGZPJMESA-N 433.578 0.663 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2CC)CC1 480223254 UGAKBDZZTFXBMN-UHFFFAOYSA-N 441.513 0.505 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CC#N)C3CC3)CC2)cc1 481146729 XUUMOOPVKRVWMS-UHFFFAOYSA-N 434.518 0.823 30 20 ICED CC(C)c1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 483674024 UMTMBNIWPGRTCP-UHFFFAOYSA-N 442.501 0.943 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489020815 YRPYVADKOMCKDL-HNNXBMFYSA-N 443.573 0.340 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 507162821 FHTJBXMAHXUYKW-UHFFFAOYSA-N 444.555 0.878 30 20 ICED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 507501146 MEXRFYXLRFEVSK-VXGBXAGGSA-N 444.560 0.658 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 507922587 KZOLMUZGGBPRKO-UXHICEINSA-N 434.562 0.326 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1-n1nnnc1C 519814435 PHTLFVDACBRUKR-MRXNPFEDSA-N 448.443 0.864 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 537288885 BMAPRRAZUIWKBA-JKSUJKDBSA-N 425.580 0.471 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 540482938 CYLSICVXDCDYTO-YJBOKZPZSA-N 428.532 0.617 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 550592361 XJOPIBUJRKZFKL-CRAIPNDOSA-N 434.518 0.388 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 551143727 MMTCTNKTDLUFTN-FQEVSTJZSA-N 433.516 0.778 30 20 ICED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 554694505 KSEFGNKTGBTOQM-QIEVIBBNSA-N 440.500 0.570 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)c1 557690600 AIVHIVKJUDIQBH-UHFFFAOYSA-N 426.521 0.363 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1 563653024 VIWKDAFFYXQKSU-UHFFFAOYSA-N 443.525 0.286 30 20 ICED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 573258834 UUTHESMIDAXHAD-CYBMUJFWSA-N 435.296 0.588 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H](C(=O)NC(C)C)C3)CC2)c1C#N 574933489 UFBHAAAOIPRBMG-IAGOWNOFSA-N 443.552 0.448 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1 576198931 FLAVUJIXVCRHJV-KBPBESRZSA-N 443.547 0.466 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCS(=O)(=O)c3ccccc3)CC2)c1 576299121 NDGHXIHQZNJEFM-UHFFFAOYSA-N 441.513 0.582 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)c(F)c1 581748577 GPGSNIJVYFNKFR-NHCUHLMSSA-N 443.523 0.840 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCOC[C@H]3CCCO3)C2=O)cc1 583886170 ZRXVSLLIAXXGCH-RTBURBONSA-N 428.489 0.477 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765551 SEMCBOXAYPSHQF-PKOBYXMFSA-N 432.484 0.960 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 588851188 CWRJSJFQLCKPST-BTYIYWSLSA-N 429.477 0.527 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 589809769 QOYBACLWIWHFDG-GJZGRUSLSA-N 437.518 0.636 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 590897365 OJAHBUFNJRBGSO-CYBMUJFWSA-N 431.489 0.898 30 20 ICED N#CCc1ccc(OC[C@@H](O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603661561 DBOSZNAYXCSKTA-IBGZPJMESA-N 430.530 0.962 30 20 ICED Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)cc1S(=O)(=O)NCC#N 608868303 JBXXDNJMHYUQBL-UHFFFAOYSA-N 429.502 0.959 30 20 ICED CN(C)C(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611428982 QUHGJTWUPMIIDJ-HXUWFJFHSA-N 430.528 0.240 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OCCOC)CCN2C1=O 612244226 ZWLIOQQXNSVKJF-OAHLLOKOSA-N 429.433 0.017 30 20 ICED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 615244407 PTCRWNBLJRRFIN-IBGZPJMESA-N 436.520 0.704 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CC1 726603300 RDTDFDPYYBYDHM-UHFFFAOYSA-N 428.488 0.471 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1 727401920 SZYZDOFIEISPRT-UHFFFAOYSA-N 442.541 0.820 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)CCC#N 729226370 GTLJFOGLQAGKFC-JTQLQIEISA-N 432.842 0.830 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 729473809 UAESLUONABNTCY-UHFFFAOYSA-N 445.488 0.849 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O 729673337 ZNYMROCHGCFQOZ-UHFFFAOYSA-N 449.529 0.184 30 20 ICED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 733163787 RSVMLAQEVAVTLZ-UHFFFAOYSA-N 433.530 0.651 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 746091991 RIPGVDXJKSLMBR-HNENSFHCSA-N 434.474 0.563 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 747820421 UYVBKKIBUAZPLU-UHFFFAOYSA-N 446.573 0.122 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CC1 747994054 XHJQJNFKCUNZOG-UHFFFAOYSA-N 440.500 0.858 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc2n(C)c1=O 755846196 IMSPYOYAXKOPTH-FZMZJTMJSA-N 443.464 0.513 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OCC)c1=O 758056723 ALCQNENWDOXYTQ-UHFFFAOYSA-N 425.510 0.597 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)c1cnccn1 758559485 PGSRNWPPSYZNMA-UHFFFAOYSA-N 437.503 0.581 30 20 ICED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 766364580 MURCYVVIAZDVEX-LQFHHUIYSA-N 437.522 0.556 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 768770253 HRKJAWQEODLAKF-UHFFFAOYSA-N 448.526 0.565 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 772598840 GGPPXPIHNKNJNH-CCEZHUSRSA-N 427.508 0.160 30 20 ICED CC(C)(C)OC(=O)N1CCC(OCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 777313238 GLXYGKKFJSYEDH-OAHLLOKOSA-N 443.522 0.368 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)s1 779234820 ACHHOHBQEQLXQB-UHFFFAOYSA-N 428.517 0.615 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c1 783455134 MVLRDHLSUROMLS-UHFFFAOYSA-N 442.497 0.920 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)CC1 787611952 AHSZNFVRVZJCPX-CQSZACIVSA-N 437.522 0.921 30 20 ICED C#CCn1cc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cn1 788211259 DGAVHIJFLRJBBI-UHFFFAOYSA-N 428.518 0.902 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 791052238 UOWQOSNJZJGVSM-WOJBJXKFSA-N 447.561 0.270 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)n1 793068387 ONFUFTKUZAYPLG-UHFFFAOYSA-N 447.879 0.891 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 803562477 YERZCVAQWWBGHC-AYHJJNSGSA-N 432.546 0.412 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN1C(=O)OC(C)(C)C 814883670 WCSKJHXYACQDKL-GFCCVEGCSA-N 429.499 0.138 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(COC)cc(C(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 815590981 RGFBMEWAIOPPGL-QGZVFWFLSA-N 436.486 0.597 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 918798189 LBQHHYXHCRLZNN-IGCXYCKISA-N 445.925 0.919 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2C(=O)CCC2=O)CC1 918842207 ISLVCIPNSVVVAH-UHFFFAOYSA-N 441.400 0.147 30 20 ICED N#CCOc1ccccc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 920413307 NMIXVDNYTYJNEP-JKSUJKDBSA-N 436.486 0.940 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)n1 1303830776 ZJYYYLLCCPDJOB-CQSZACIVSA-N 435.558 0.780 30 20 ICED CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCOC1 1314081895 KTACJRCTVMNYJI-HXUWFJFHSA-N 448.549 0.987 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1314923300 LGEFBGALLRLIJM-PXNSSMCTSA-N 430.534 0.507 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)c1C#N 1450542974 LWYDCJVFNSRYTO-CYBMUJFWSA-N 449.558 0.945 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1504888412 QKGLAWQBGQMZTH-ASHKIFAZSA-N 429.568 0.458 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1512580931 NULPWBGNDOBRMP-UVFQYZLESA-N 447.517 0.617 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(CS(C)(=O)=O)CC1 1541106660 ZWSOHDFSWSJOHK-STQMWFEESA-N 432.572 0.309 30 20 ICED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1615857450 LRDIFOGIULKBGJ-IIBYNOLFSA-N 444.561 0.897 30 20 ICED CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CCN2C1=O 1711272445 PPNLRNDFCJEJSP-MRXNPFEDSA-N 429.506 0.417 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCO1 1711363310 NQWLIBNVWNHHFM-QGZVFWFLSA-N 437.504 0.814 30 20 ICED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1750449095 DPQUCPCAUDGUQJ-MRXNPFEDSA-N 436.582 0.692 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1778970730 FAVHDKUMHRYGLT-ZHRRBRCNSA-N 432.521 0.942 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779219302 FJCVUVFUXMUJOX-OPAMFIHVSA-N 440.479 0.998 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779445623 IBDXDWBEOYMXSW-ZMUFDVHQSA-N 427.461 0.610 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/C(=O)NCc2ccco2)C1 1779492793 QMWPWJDRNCGQOS-VRJXGNDESA-N 443.456 0.054 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780197910 XJNVCTYPJHQGSQ-QFIPXVFZSA-N 437.456 0.535 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c(C#N)c1 1781173256 AXGKEKBXAKJPIF-GCJKJVERSA-N 426.473 0.218 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)cc1 1781787047 SESDXCDNEBYUGP-JOCHJYFZSA-N 447.455 0.241 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782665860 BZKKVBQVAAFFAV-PNLZDCPESA-N 430.505 0.621 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 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20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567922 ITKXCGJPYWNLDI-WCJKSRRJSA-N 449.504 0.598 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783662253 XLJSWCQMSNLMHO-RXVVDRJESA-N 428.526 0.477 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c(C#N)c1 1784038596 HYUNFKCMAGSIDA-GAJHUEQPSA-N 440.500 0.465 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@@H]21 1784474980 SFZCRRWMPUDHKL-UHMOLFJZSA-N 448.541 0.722 30 20 ICED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784513869 UCPYHHHHROANOR-JYJNAYRXSA-N 440.566 0.154 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1785378554 JOFUJEGQUQDJSH-OAQYLSRUSA-N 439.428 0.282 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOC)[C@H]2C1 1786638133 JTCCQXLCSQHUNQ-XSLAGTTESA-N 437.537 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 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WVIQNAUHHYPDLG-QFIPXVFZSA-N 439.472 0.603 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839174685 RQNVXTKCYYWBQC-KNQAVFIVSA-N 446.504 0.047 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839225778 UBHUGHDGQOUDMO-HRAATJIYSA-N 444.492 0.600 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483686 NDEKVOFDRQEBHW-NRFANRHFSA-N 441.444 0.955 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCO2)C1 1840048848 FURMDYXHFJOSBE-QSNWEANLSA-N 434.537 0.292 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccc3F)CCO2)C1 1840684665 XSSJKGWXKJPJEX-AOMKIAJQSA-N 434.464 0.943 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818875 CPAPRAARSIFXQW-JWNTYJGQSA-N 444.532 0.767 30 20 ICED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)cc21 1843998937 JNGPFXCPNZNCEL-BYWZACNXSA-N 444.492 0.363 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)c(=O)n2C 29984538 SWMMYFKGNDJGTA-UHFFFAOYSA-N 435.488 0.040 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ccc1F 439092022 CVSBLFROOLGFAS-UHFFFAOYSA-N 444.432 0.837 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 443752547 HLGGYRKIVSUKFH-UHFFFAOYSA-N 433.412 0.474 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC2)no1 447254249 BDHFOZDAYGMBAG-UHFFFAOYSA-N 430.852 1.230 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)c1C#N 472108894 UDZRSLFKCIAWRN-UHFFFAOYSA-N 431.522 0.410 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 486482604 AENSKHOPSJFKMW-UHZRXMQZSA-N 447.495 0.765 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 486654631 SKENEWDQIWBMBU-ZDUSSCGKSA-N 437.490 0.898 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1O 488186657 SLAITYAOSUUYMJ-WMLDXEAASA-N 447.513 0.907 30 20 ICED N#Cc1nc(N)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 490144272 OWSYEDDILDIZDH-UHFFFAOYSA-N 449.880 0.522 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 507425259 PMNNENKQXPSPDM-GDBMZVCRSA-N 446.533 0.802 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 511453154 GSJZRRYXQBHJPP-AWEZNQCLSA-N 430.442 0.614 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 520846304 NHQUYXSZCDIUHQ-OAHLLOKOSA-N 427.575 0.111 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 524282802 LWXZOIDCHKQYQR-UHFFFAOYSA-N 449.330 0.185 30 20 ICED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527339006 HBOWTACRTGXQID-LBPRGKRZSA-N 427.465 0.867 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)o2)c1=O 532362707 NWLBKPPLQPYOLQ-UHFFFAOYSA-N 431.514 0.464 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CC(N)=O 532800316 JHNFCCRIDNPLLQ-UHFFFAOYSA-N 439.324 0.731 30 20 ICED COc1ccc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)N(C)C 534836019 GNRYWALJDNDEFO-UHFFFAOYSA-N 449.537 0.626 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2cncc(C#N)c2)CC1 554966417 BKWIJUQCVOASDB-UHFFFAOYSA-N 435.531 0.368 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1=O 556181481 VCPAUBKBWUYJCW-NRFANRHFSA-N 441.576 0.869 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H](C)C1 558129991 CKUGWGZJCBUJLM-SJORKVTESA-N 439.607 0.813 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 561413462 HDHSWIILFJEBNU-UHFFFAOYSA-N 434.562 0.723 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1=O 564012494 LGYAFGGKWWYNJV-FQEVSTJZSA-N 428.533 0.505 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 568079497 BNMGVXNJEGOZKM-PMACEKPBSA-N 442.560 0.933 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 574665457 IDOKXWJXIHOPOH-UHFFFAOYSA-N 426.498 0.945 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 582399833 GZEHHXKTOIWSNN-UHFFFAOYSA-N 438.488 1.488 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)CC2)nc1 587655013 WXZZZNAMRWEEAB-IBGZPJMESA-N 426.521 0.361 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 608911500 GRSHGXOVUSLVAD-UHFFFAOYSA-N 440.431 0.815 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911831 RPOOJPAKOMVYRA-UHFFFAOYSA-N 428.470 0.812 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCCN(C)C)CC2)cc1 609167018 LBFVGWDWQYKQNJ-UHFFFAOYSA-N 435.594 0.995 30 20 ICED Cc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1S(=O)(=O)NCC#N 609413431 RHXHJTHJWGZQRL-QGZVFWFLSA-N 433.534 0.351 30 20 ICED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(CCC#N)CC1 611173581 BENBNIBKVFONIM-QGZVFWFLSA-N 435.550 0.566 30 20 ICED C[C@@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 612167088 HKMISUMNWUEGRN-NRFANRHFSA-N 448.545 0.916 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 613245821 NPDODHHGBAMEHS-GOSISDBHSA-N 435.550 0.359 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 732154165 PEOONNXYRAMMGV-CZIZESTLSA-N 441.469 0.561 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 739121426 NGUBPDDHENZWBM-PQNJHTQWSA-N 449.533 0.598 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(OC)c(OC)c1 743884943 UZBMRDLVPFTUGR-UHFFFAOYSA-N 427.417 0.924 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 745386093 BZDZVNGQPCXMBY-GOSISDBHSA-N 448.435 0.648 30 20 ICED N#CCCn1cc(C(=O)NS(=O)(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 747757837 VRVCPHNJCOUWSG-UHFFFAOYSA-N 434.434 0.679 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1 747977149 LXXAEJUUXRTFHP-UDWOFDDZSA-N 437.522 0.998 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C#N 752381488 JIQQEQNFXIDNLB-KRWDZBQOSA-N 443.460 0.915 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@@H]1C 754509528 BNJBZEPVUKNTMP-YUCJCZDXSA-N 435.550 0.991 30 20 ICED C[C@@H](OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N(C)CCC#N 754604528 HLJYQPUUXMVHQR-RHSMWYFYSA-N 427.461 0.840 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O 755660973 HMLHGNAVNHIBCS-UHFFFAOYSA-N 429.546 0.369 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 760554843 ACKJQIMVZINCTP-UHFFFAOYSA-N 433.280 0.979 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 761230765 KKXWRNOCFNHOBN-IAGOWNOFSA-N 449.481 0.505 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C#Cc2ccc3c(c2)OCO3)C1=O 762233706 YXXFTAUDJPGNAC-UHFFFAOYSA-N 434.408 0.898 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)[C@H]1CCCO1 773562885 UOGZMJWQTZRQON-UKRRQHHQSA-N 435.531 0.888 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CC(N)=O 774538637 CJXDYIKHDXFLAI-UHFFFAOYSA-N 438.509 0.032 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)C[C@H](C)O1 781983992 HAUMHEMTDQEVKR-KBPBESRZSA-N 446.489 0.782 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccsc1 790434396 SAEJYJGLQNEGFV-ZDUSSCGKSA-N 428.539 0.953 30 20 ICED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 797541645 URQBOSHEOCHSFA-LORYXUCWSA-N 449.533 0.423 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O 804762255 HDCHGNNPJASEOF-HNNXBMFYSA-N 449.508 0.117 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c(F)c1 806713240 JGPXUJYXOIYIBZ-MRXNPFEDSA-N 432.452 0.384 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C#N 809503297 XCJIGFARFYRPRV-INIZCTEOSA-N 432.477 0.935 30 20 ICED C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 815083034 MFUNVSQYTASZGE-UHFFFAOYSA-N 427.470 0.761 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 916874954 IPHDCMMUEPHHMJ-DAYGRLMNSA-N 437.518 0.960 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 918986492 NTFRXMUDMSNCDC-UHFFFAOYSA-N 448.501 0.116 30 20 ICED COC(=O)[C@H]1CN(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1142390123 LXLJJXSUAMHWTI-SFHVURJKSA-N 448.545 0.522 30 20 ICED CC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1286857501 SGSJTAIGOHXENG-SJORKVTESA-N 438.492 0.913 30 20 ICED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1322571456 OUGQBBICFPVCKV-INIZCTEOSA-N 447.513 0.880 30 20 ICED CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)N(CCC#N)CCOC)C2)ccn1 1464062401 SRIAFTISECADBR-INIZCTEOSA-N 425.511 0.391 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)COC)CC1 1539776185 WTDSHBIEZNKZQY-GFCCVEGCSA-N 434.950 0.372 30 20 ICED CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547249200 VWFCUAUEJLQZHI-INIZCTEOSA-N 437.508 0.628 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1555809716 ZYDTWYVAUQEAGY-DOTOQJQBSA-N 443.533 0.410 30 20 ICED Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1585983505 JDTGZUFAAZUIIY-MRXNPFEDSA-N 439.472 0.657 30 20 ICED CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617600839 OPGGEMHWIVOGTD-UHFFFAOYSA-N 434.508 0.750 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1731018517 NFANNOKQZZWLNW-UHFFFAOYSA-N 429.550 0.898 30 20 ICED Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)n[nH]1 1742599557 WLDCLESJHGXHAZ-UHFFFAOYSA-N 448.535 0.696 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749269313 PSTBJLIOLSFOAH-CABCVRRESA-N 443.957 0.760 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1778790868 ZIHSQTVACSGTCT-YBOAYWMSSA-N 444.488 0.822 30 20 ICED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1778848255 PCVZCCGPHDJQJV-DENIHFKCSA-N 428.537 0.261 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1778973094 ZCWLGPMWMNGQHG-BTYIYWSLSA-N 429.477 0.452 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1781047596 VNCLXOSKFKTLHG-GTCCEBARSA-N 435.521 0.757 30 20 ICED CCOc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1783567276 MCYWTXUWYBZJOM-JOCHJYFZSA-N 430.457 0.554 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682928 FADVFZYBTGWRKG-JKQORVJESA-N 428.493 0.124 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccc4c(F)cccc43)[C@H]2C1 1784038166 BYMRYYNVOMPCQQ-QOKNQOGYSA-N 427.432 0.848 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1784203212 GRJWBTIMDGOFJU-DENIHFKCSA-N 429.521 0.480 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1785572478 LEYUEOIMLSQOMS-KSFYIVLOSA-N 445.520 0.780 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1785572509 LYXNXRYJQXPNQF-BTYIYWSLSA-N 446.508 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)cn3)[C@H]2C1 1786243077 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CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838653335 KCPGYEVAGSSVTC-INIZCTEOSA-N 448.520 0.711 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448275 YZPDPDSEKPWZOE-NYNQOQISSA-N 443.456 0.880 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448276 ZBTORHDDAIFJES-AVRDEDQJSA-N 434.489 0.741 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2)C(=O)O 1839453948 KTPOPVGIASYMAH-FGWWRKRSSA-N 427.457 0.968 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518730 BSKDPWWSXLDLCL-JOCHJYFZSA-N 430.505 0.929 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 1840040839 ASNAJFKXRKAYJQ-NRFANRHFSA-N 430.432 0.402 30 20 ICED Cc1cc2[nH]c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2s1 1840044604 NZEAWSRKLGNBAH-FQEVSTJZSA-N 431.470 0.696 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1840173525 CIBOTBXUUFQVAD-URXFXBBRSA-N 443.544 0.920 30 20 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429.506 0.453 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 460943984 CANOMJNSYZDSCT-IRXDYDNUSA-N 425.603 0.681 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)n2)cc1 464123154 QMABBYZLDATBMS-HXUWFJFHSA-N 445.483 1.342 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480946111 AWGBOLWFAGQEMT-CYBMUJFWSA-N 442.472 0.739 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 483292067 FDAMPEIBOJOHGP-UHFFFAOYSA-N 446.523 0.437 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)NCC)CCC2)cc1 488675504 IZHCJQNALPXOQB-UHFFFAOYSA-N 436.534 0.854 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 492556122 DURBGRYQRCUYMP-UHFFFAOYSA-N 442.501 0.457 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 506912582 OMMJUHWYEYLSBK-AWEZNQCLSA-N 447.521 0.212 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(F)(F)F 507061297 HFQOEMSQTKPHAX-SNVBAGLBSA-N 438.432 0.387 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)n1 508357865 KSFCGPKPZIIISZ-UHFFFAOYSA-N 434.416 0.317 30 20 ICED C=CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508695876 FKGJLIDQDAGQCR-IXDOHACOSA-N 440.570 0.792 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](C)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 509252915 DIEBOMIXOMZHNB-PMPSAXMXSA-N 434.588 0.246 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(COC)c2)c1=O 525777882 NCHHXAKHIIAJOD-UHFFFAOYSA-N 427.526 0.874 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3C(=O)N3CCOCC3)CC2)o1 532940915 PPIQUXSUPKXSTI-GOSISDBHSA-N 430.509 0.217 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 533250342 ZPIBQPPAEALXCL-WBVHZDCISA-N 432.525 0.366 30 20 ICED CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533343423 JCDAZXVAPZSZDC-LJQANCHMSA-N 448.545 0.809 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](N3CCCC3=O)C2)CC1 535575488 IPLMJBDOKOBOEH-SFHVURJKSA-N 445.545 0.088 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 537152885 XQELOYIWVAIEDT-LJQANCHMSA-N 435.488 0.730 30 20 ICED COCCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 539503285 LPOFFIJKPODENZ-ZDUSSCGKSA-N 438.448 0.283 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 541411820 QSBBIKUFULLQHH-HUUCEWRRSA-N 438.506 0.356 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544866044 NLVNDKSRFGTSKK-UHFFFAOYSA-N 442.501 0.290 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 547417902 MAYMXNQFOZOGDB-HNNXBMFYSA-N 431.493 0.191 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)C1=O 556193406 MFZOAGGTMNZORR-AZUAARDMSA-N 427.549 0.559 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 558057681 QTKRRWPQDUOVDC-APWZRJJASA-N 440.500 0.572 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](OC)C(=O)OC)nnc12 561973855 MLWBXJHQRLORDX-AWEZNQCLSA-N 431.474 0.627 30 20 ICED COCCN(CCOC)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 563847723 RMCNVRAFIVJGNJ-UHFFFAOYSA-N 438.550 0.422 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 563913378 JDIQTILKQRUMQE-MJGOQNOKSA-N 425.599 0.473 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)n1 564315869 ARFLVHBNVPTKQU-UHFFFAOYSA-N 434.477 0.493 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)c1C#N 574966450 QOZAZJNMXMCNIO-UHFFFAOYSA-N 428.474 0.475 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 575843891 BNXVOLGHWSXBJO-AWEZNQCLSA-N 432.462 0.078 30 20 ICED CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 578095013 WRMBNEUZCGDKNC-IBGZPJMESA-N 439.516 0.887 30 20 ICED CN(CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579032161 WTJFCXKEQBIJLY-SFTDATJTSA-N 437.544 0.966 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 583842823 NDSPTJAWEJVDIC-UHFFFAOYSA-N 426.433 0.589 30 20 ICED CCOC(=O)c1ccc(C#N)c(SCC(=O)c2c(O)nc(=O)n(CCOC)c2N)n1 591615589 ORMILXQDGOIKDG-UHFFFAOYSA-N 433.446 0.596 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N3CCOCC3)CC2)cc1 603501025 PZOJGWKHZMSUIA-UHFFFAOYSA-N 434.518 0.324 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604270373 XDJBRKISEGBCJG-UHFFFAOYSA-N 426.542 0.588 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 604524897 YCLLPFJVOCBJOY-UHFFFAOYSA-N 428.536 0.328 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 610290355 YJVZHPWBSVIXLQ-UHFFFAOYSA-N 443.485 0.645 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 617022544 MGIRUFIPNNCFET-JLHGSKIFSA-N 438.488 0.679 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C1CCN(C)CC1 618639196 QTRJSPKTFPWQKP-UHFFFAOYSA-N 433.537 0.974 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCS(=O)(=O)C1 619563366 NGBXAUDHAFIUBF-MRXNPFEDSA-N 445.563 0.894 30 20 ICED CN(C)CCNC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733169137 RXBVMULZUYTEOP-UHFFFAOYSA-N 435.550 0.032 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 735294746 IEVZMHVKORRHIU-UHFFFAOYSA-N 435.465 0.166 30 20 ICED N#Cc1cnn(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1N 746889444 OJWYIHYYZFKFKG-UHFFFAOYSA-N 426.252 0.793 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)OC(C)(C)C)nn1 748898334 MFHAASYOCKTFBN-ZDUSSCGKSA-N 449.489 0.902 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 753644964 HRTYXHSZYZPZOR-ZDUSSCGKSA-N 429.454 0.881 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 755552297 ZSTAUFJQVVGTSJ-DOMZBBRYSA-N 431.449 0.364 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 758467011 FFWUKAHBSWQNCU-KGLIPLIRSA-N 447.583 0.423 30 20 ICED O=C(N=c1cc[nH]cc1I)NCCN/C(O)=C1/N=CC=CC1=O 760035407 WZFIXGCSJQXAKJ-SEYXRHQNSA-N 427.202 0.756 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCCCCC#N)C2)CC1 762287129 NLGUPBIJPPMKMH-UHFFFAOYSA-N 429.543 0.957 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 765145884 OXRCWRHEMQLYTJ-UHFFFAOYSA-N 445.844 0.757 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 767841193 XJLJQJAQJDXTPE-RBZFPXEDSA-N 441.469 0.723 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770013827 RFLFVBNWABPFOS-KRWDZBQOSA-N 431.873 0.963 30 20 ICED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 774476073 ZQKROXNLQUTTOJ-RCCKNPSSSA-N 437.478 0.005 30 20 ICED N#Cc1ccc([C@H](O)C(=O)NCC2(NC(=O)[C@H](O)c3ccc(C#N)cc3)CCOCC2)cc1 780940372 ULNOWTACMPWKPM-LEWJYISDSA-N 448.479 0.979 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785155004 BMAOYUWOIITBGQ-UHFFFAOYSA-N 436.432 0.168 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)C1=O 785643973 RCMHNHLMJDVHJB-AEFFLSMTSA-N 425.489 0.880 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)cc1[N+](=O)[O-] 788767116 XTLSOZSYVUJRSK-UHFFFAOYSA-N 426.410 0.731 30 20 ICED Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 790376809 ICAFPHDPRDJRFD-GJZGRUSLSA-N 440.526 0.483 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)CC1 792217261 MHVJGCBKAVBBGE-UHFFFAOYSA-N 434.500 0.742 30 20 ICED Cc1oc(C#N)cc1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 797970468 YQDZAJNEJBJBRO-UHFFFAOYSA-N 441.487 0.994 30 20 ICED C[C@@H](C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)n1cnc(C#N)n1 798833797 PHYGTYUKEWGHMF-ZETCQYMHSA-N 429.212 0.887 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCOCC(F)(F)C2)c1 808958217 XOIKELXNBLMHFW-PXLXIMEGSA-N 444.460 0.932 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 812739830 FOTYMOXQHQCUCN-HNNXBMFYSA-N 436.428 0.044 30 20 ICED CC(C)OCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 813059045 SPBUWGGJIMCEAZ-PGMHBOJBSA-N 426.495 0.911 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(I)ccc1-n1cnnn1 854190035 UOBRNVXJWNPOPU-SECBINFHSA-N 425.186 0.562 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 921161792 JYMFTUWQMBCVRO-UHFFFAOYSA-N 444.513 0.881 30 20 ICED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCN(C)C1 1287218409 XHQCIGSMDNPJGD-IERDGZPVSA-N 425.541 0.845 30 20 ICED CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515127763 UVCXFPXEYZEPBO-HNNXBMFYSA-N 427.513 0.718 30 20 ICED N#Cc1cn(CC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(=O)nc1O 1568499138 RNEARIYMYAMLDY-MRXNPFEDSA-N 425.445 0.986 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1625300364 RJQCZBACOFRXQK-OAHLLOKOSA-N 429.502 0.874 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)cn1 1651414224 IMALMSCCJAMBFE-CTNGQTDRSA-N 437.475 0.945 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@H](CS(N)(=O)=O)C1)CCCC2 1655770969 UMVFUKOSPGWSKL-JKSUJKDBSA-N 449.577 0.966 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705747547 OVOJJCSWZKQAIE-JSGCOSHPSA-N 429.934 0.952 30 20 ICED COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1711432081 SAMHVJJOWWAFSM-MRXNPFEDSA-N 432.506 0.755 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1752313189 VWWHXAFLMIYIOX-MGPUTAFESA-N 431.518 0.982 30 20 ICED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1769087661 QWKZYWBILCLLSH-UHFFFAOYSA-N 441.521 0.512 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1770337215 YWLNVCAYUYONEK-CVEARBPZSA-N 430.490 0.796 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2)[C@H]1SC(=N)NC1=O 1778080662 KPFBBZOMFGUPMC-POLYTFBCSA-N 433.534 0.607 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065631 ZQNNQDLRQRFQIJ-QHCPKHFHSA-N 440.500 0.549 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)CCC1 1779940420 LTNYXYAOYNWDRU-SPLOXXLWSA-N 426.477 0.397 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781051225 OYAWITNTYDEEJE-SRGNRNQMSA-N 444.532 0.076 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1781271137 AKMOAZHTGINTHN-OAQYLSRUSA-N 427.461 0.911 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903997 DEKBKQSWQCISOG-LJQANCHMSA-N 449.305 0.900 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782179661 UPBJZOVYZRMIDW-LHSJRXKWSA-N 441.444 0.953 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783556867 FHSHWORTYIYDMN-YCRPNKLZSA-N 445.497 0.015 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783564691 CGZVVZSCSVMPRA-QRQCRPRQSA-N 447.488 0.161 30 20 ICED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)c1=O 1784732991 OELQJWXBXMTLQU-XZGADFANSA-N 426.473 0.691 30 20 ICED CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858127 KSNTYRXBXAVKFY-BZSNNMDCSA-N 435.569 0.554 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]3C2)c1 1787526901 GSVDMBHVAHNODP-VDGAXYAQSA-N 442.516 0.932 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255221 HNAUUFFWYHCFBE-FPXQBCRKSA-N 429.521 0.822 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCCNC5=O)[C@H]3C2)C1 1788255519 STCPJWSNAWGNHR-QOKNQOGYSA-N 427.505 0.576 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)c1 1789259117 IVZZEGIBHQTDEQ-SNRMKQJTSA-N 449.529 0.595 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)N1CCN(C)CC1 1789345278 YKMMCTWUSPJFNG-CAIZAGQASA-N 428.537 0.116 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790143423 XOACKISJTCQUBC-BURNTYAHSA-N 442.516 0.497 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1791260875 ZENCZCNZZFNNBH-BODMPHMZSA-N 445.541 0.971 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791433995 PWWQOKLYKKDWCX-JONQDZQNSA-N 434.493 0.806 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558021 IOWVWGLFPQDEHL-XCRNZQRYSA-N 426.517 0.995 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ccc(OC)nc13)C2 1793345668 ZFQRHSHAZJMOCT-BKEDOTJMSA-N 426.473 0.813 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1793364571 RSZCKDIQIPYMFX-XEMDLRDOSA-N 431.514 0.976 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)cc1 1795323634 BEGYYNIHVMJTOJ-ZXFNITATSA-N 426.560 0.677 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796306981 QZDWZLCLVZNZAC-KPEUIFRASA-N 436.534 0.112 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796398039 FIMLTYOHYZBEIT-WZBRSKKSSA-N 445.520 0.070 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 1797137484 PCWNFFMHIKDZDL-BCDXTJNWSA-N 425.551 0.214 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797706872 ROMHCBXOMSEJIO-USZNOCQGSA-N 440.390 0.504 30 20 ICED CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810924 BZGAPVSWFBSSFN-PDXWDTESSA-N 433.509 0.944 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797967022 VDZAACZRLXVYEQ-XAPVIXHLSA-N 442.516 0.232 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cnnn2)C3)c1 1798579873 CLTYQTOBQJMLEL-PTOXDTDZSA-N 425.449 0.018 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802112775 VJQINVDNRYUIIP-HNULKUCHSA-N 429.517 0.986 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1803549319 XDOWUVGTJDLYSI-NMLACTOBSA-N 430.505 0.277 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1803555377 WMQJMRPQQPBYGS-UEXGIBASSA-N 431.537 0.663 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804195514 CXBUPLKARCASAA-GHTZIAJQSA-N 432.546 0.231 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806020412 UTQDDXWYAPMJCK-GOSISDBHSA-N 441.594 0.539 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@H]2c2cccnc2)CC1 1806848051 ROMXMYSGKYSWAU-YJBOKZPZSA-N 433.472 0.645 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(F)(F)F 1812679122 CQLLFOJKBUSDPM-JZXOWHBKSA-N 442.438 0.857 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823499606 OTKFRLOSQLXYGT-NSHDSACASA-N 435.487 0.350 30 20 ICED Cc1nn2cc(CC(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)nc2s1 1825661638 YNLXGVCQYGXVEA-JTQLQIEISA-N 444.498 0.798 30 20 ICED O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828977789 VTLMWOXADJLTDV-WPSCODHKSA-N 436.553 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1829762772 RAOKUHDSYRCXRG-CFPAGDMOSA-N 425.551 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1829765258 PNWMMFZJEXXVQE-AXKGWLQCSA-N 443.500 0.380 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1829781716 DWWCFVQXHYKZKN-QHCPKHFHSA-N 436.597 0.683 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830005240 GOEMWMLJWLUIRB-CVDCTZTESA-N 437.581 0.748 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1831397217 VZVRHZCJMLOYHN-JLTOFOAXSA-N 432.502 0.733 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831424050 BLUCPYYNVLYAJR-BTYIYWSLSA-N 437.468 0.890 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831425840 FMZQFDGVILFYQZ-VGSWGCGISA-N 428.489 0.995 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831484575 ZVVBFUWQCIGIGC-ICSRJNTNSA-N 429.583 0.704 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1832056613 SNIABQKODCKMBN-REWPJTCUSA-N 426.517 0.651 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1832451425 BJJPDYZZYOMAQI-FQEVSTJZSA-N 427.567 0.084 30 20 ICED CCOc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833019741 PWFPZHDMNJIPQT-UHFFFAOYSA-N 428.489 0.754 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833429815 JMHIANUODKRTKR-QFIPXVFZSA-N 448.520 0.928 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833567074 GJUMNMINIAXDJC-APWZRJJASA-N 442.513 0.807 30 20 ICED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833666324 VGVWCVMLKZYACG-QFIPXVFZSA-N 427.505 0.911 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1833768553 KIMKWBWOVLGKJB-HRAATJIYSA-N 434.493 0.961 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833981287 JEQOAYWZJUBBCC-QFIPXVFZSA-N 437.456 0.497 30 20 ICED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cnn1C 1834425343 WUSBJFXHHLLGAR-HSZRJFAPSA-N 444.532 0.497 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341115 PBOHCRMNMFCBAH-GBXCKJPGSA-N 438.528 0.803 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)c1ccccn1 1835681094 PUQSMTFAKNDILJ-JPYJTQIMSA-N 443.548 0.923 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1835714161 JYFJPIBXLLMORA-SFHVURJKSA-N 431.537 0.941 30 20 ICED Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767825 TYLVAUVWRHECOQ-KWJZBXMYSA-N 447.540 0.827 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835913126 UHJUZCZWAXIKKE-SIKLNZKXSA-N 430.505 0.635 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)o1 1836025373 JIXFKMOIXSHGGT-NRFANRHFSA-N 425.445 0.562 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836785039 VKKVQFKXGJEDSP-JOCHJYFZSA-N 426.473 0.801 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837377127 IGVIVIGABNPCAU-MBSDFSHPSA-N 442.516 0.202 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837444170 QMQKAFHJNXLSBI-SGCYSOCQSA-N 429.521 0.932 30 20 ICED Cc1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837524983 QPWQLJBUKXRWGL-ROZQTZPBSA-N 446.504 0.989 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2)C(F)(F)F 1837690967 FNZCVRSIKMOLGR-DNVCBOLYSA-N 443.422 0.984 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967419 HOSADSAIICNFAR-CCULFSDZSA-N 449.512 0.201 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838095984 ZCERWTYWQHHOLV-HSZRJFAPSA-N 442.516 0.554 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)nc5cccnn45)CCO3)C2)C1 1838499165 TUKXDZWKSRQOOP-JOCHJYFZSA-N 439.472 0.126 30 20 ICED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)C(F)(F)F 1838949748 RFSZICACOORDGH-RBUKOAKNSA-N 441.406 0.942 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)C1 1839065682 PTCNJMWOMJEKGB-NFBKMPQASA-N 426.517 0.970 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)ccc1F 1839186451 UCXUKUYXNFMSRX-FQEVSTJZSA-N 449.508 0.323 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)cn1 1839363921 CXCWPXIPGFQZQL-QHCPKHFHSA-N 437.500 0.799 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424426 IOYACDSCBKLQNZ-VLIAUNLRSA-N 434.880 0.416 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1839810441 XJWHTDIBPJNORU-KPZWWZAWSA-N 426.395 0.233 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1)C(F)(F)F 1839892359 JVSHCABFEIMCLF-MRXNPFEDSA-N 434.440 0.964 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13CCN(C(=O)OC(C)(C)C)C[C@@H]1C3)CCO2 1840002725 FCJOCNMHXKWKQG-PDIWNELESA-N 447.532 0.723 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840166956 NCEZJFJSQJBUFX-NRFANRHFSA-N 433.530 0.738 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1840845307 SUJYPVHIZPDRGT-FDDCHVKYSA-N 427.501 0.675 30 20 ICED O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262123 PZEVMUSHPVNEOG-UHFFFAOYSA-N 425.809 0.620 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1845131534 MEKOOCILMWGAMA-CVEARBPZSA-N 448.520 0.995 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846649229 YMPGZFXIXPVQNZ-HUUCEWRRSA-N 431.497 0.354 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1847068580 DVSBCNFGTATCLW-AWEZNQCLSA-N 445.476 0.621 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 106044136 ZWYRZWLDSKRGLW-CALCHBBNSA-N 435.550 0.858 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409508150 QIYKSLMWHXMVFV-OAHLLOKOSA-N 430.552 0.728 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCO[C@H](CC)C2)cc1 427883845 DOERAUQGHBKUKM-QGZVFWFLSA-N 438.550 0.659 30 20 ICED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS1(=O)=O 429880460 BTIOLHFCUOZIOS-LBPRGKRZSA-N 435.893 1.371 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1 437302279 FCFWIRJBOGWGPQ-UHFFFAOYSA-N 429.545 0.921 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 439823313 BJYKDIZQVCZZCH-GFCCVEGCSA-N 427.299 0.920 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)C1=O 440279712 HOBKYKXLHHDMLF-INIZCTEOSA-N 434.518 0.620 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCSC 443672806 GSVQCKZCURXDQB-UHFFFAOYSA-N 435.546 0.986 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)ccc1C#N 443969489 YSMOCJDBJIPDLA-IYBDPMFKSA-N 442.563 0.527 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463343394 NEUUNYMTRJRCDM-UHFFFAOYSA-N 428.492 0.843 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 467137133 PZTMHPGJXWTUJJ-UHFFFAOYSA-N 442.469 0.995 30 20 ICED Cc1nn(C)c(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 472159998 JSOAKNXRIOJUFY-CQSZACIVSA-N 431.522 0.397 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(C)c3C#N)CC2)cc1OC 476057120 ZDIHAFYBVXZZLF-UHFFFAOYSA-N 433.490 0.892 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCOC1 505658944 GQUSIUBPRIGJKK-OAHLLOKOSA-N 429.546 0.408 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(Br)cn2)c1=O 505710992 QBQWJWYETZPOSD-ZDUSSCGKSA-N 449.330 0.403 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508894717 LZQWKDIROYOYSH-QWHCGFSZSA-N 438.514 0.294 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 510489774 KYJRKKOSSRRACI-CSNJMZFVSA-N 440.552 0.652 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 511725676 CMOPNMNBZLHQDT-GOSISDBHSA-N 448.545 0.666 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1 513200438 VDNOKSYFBDGTEW-CQSZACIVSA-N 441.467 0.525 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 520495832 GNDJZKNNKJJBEE-UHFFFAOYSA-N 436.515 0.635 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)C1=O 522982670 RJNPHWZNDSKAQE-UHFFFAOYSA-N 430.417 0.083 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 523380725 UKWYXBDENTVEOS-HNNXBMFYSA-N 430.461 0.698 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 531803301 XPVISRQDXQNOBY-GFCCVEGCSA-N 435.400 0.590 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 550591301 YOKJIPRHACPGOV-IBGZPJMESA-N 449.515 0.586 30 20 ICED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556138499 SHHWZXDCTPISPW-AWEZNQCLSA-N 425.283 0.411 30 20 ICED COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 556565936 IVQRCMQKHFTMTF-FQEVSTJZSA-N 447.499 1.564 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 560052827 NJQSSSMRZRPQCG-UHFFFAOYSA-N 447.455 0.292 30 20 ICED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 563800156 LGFPMRVCMSNGOR-IBGZPJMESA-N 426.565 0.855 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 568113293 AKYXKUOXZZIHJC-IBGZPJMESA-N 428.514 0.720 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(CN(C)C)c(F)c3)CC2)c1C#N 577557789 VMBWNZOTRMAKKO-UHFFFAOYSA-N 441.511 0.766 30 20 ICED CN(C)S(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 578474309 HUQWXVNGNLVGID-UHFFFAOYSA-N 436.515 0.403 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 581459131 DDHRGDGINRALHE-HNNXBMFYSA-N 447.459 0.606 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CC1 585715731 GDHXDMBZAHNQQJ-LJQANCHMSA-N 433.940 0.934 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O 589161904 ZGIKZYZSRIDKOK-OAHLLOKOSA-N 447.582 0.886 30 20 ICED N#Cc1cnn(-c2ccccc2NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1N 590542662 DRHHMNBXORICIZ-LJQANCHMSA-N 437.504 0.978 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609168320 CFSOYGKFIREKFE-NRFANRHFSA-N 427.549 0.629 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1C 609416862 VCGDAXXCDGCUGG-UHFFFAOYSA-N 426.542 0.643 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 610594711 ZOENGIHBELPLRR-YCRPNKLZSA-N 425.493 0.942 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2nnnn2C)cc1[N+](=O)[O-] 611313302 ZOAYXQPNVUPVRN-UHFFFAOYSA-N 425.409 0.877 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)c1F 619696458 OTXJFRDBMGNZQY-CYBMUJFWSA-N 443.500 0.876 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)cc1 682064933 DJKQYUHOUIUZTN-UHFFFAOYSA-N 438.550 0.347 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 726579506 FURDDHYSDUQGPY-UHFFFAOYSA-N 442.500 0.637 30 20 ICED O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCN/C(O)=C1\N=CC=CC1=O 731863554 ZLFSJUSYNHTNSF-WUKNDPDISA-N 426.882 0.651 30 20 ICED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 733205572 ANEBJEMGNHDMSJ-UHFFFAOYSA-N 431.536 0.530 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)cc1 735596246 VWCVHWMWPCYXML-UHFFFAOYSA-N 445.497 0.878 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 743890693 UOODMXFRDIVHQH-UHFFFAOYSA-N 443.435 0.856 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 746493247 FOMKNVNCCGQFIE-UHFFFAOYSA-N 432.590 0.894 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCNC2=O)CC1 748955112 OXDWYLOHGCNPSU-UHFFFAOYSA-N 433.534 0.912 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C#N)C1 754380249 PSUXWHGGIUDGCS-QZTJIDSGSA-N 449.552 0.671 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@H](C#N)C1 754388269 YODNPSFVMOGGKM-CQSZACIVSA-N 436.490 0.531 30 20 ICED COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1C 769799015 QMWUYYKQZQAHBL-UHFFFAOYSA-N 433.442 0.994 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 771284036 KAQIDGZLZNHTHY-VXGBXAGGSA-N 425.413 0.284 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1-c1ccc(OC)nc1 772314524 OOXXVVWZOBJVAQ-UHFFFAOYSA-N 434.481 0.405 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@H]1CCCO1 773798620 QHEPMOOOAVBPAG-RBUKOAKNSA-N 428.489 0.217 30 20 ICED CC(C)(C#N)CS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 790006710 HBMCHLZPYGSRGQ-UHFFFAOYSA-N 430.508 1.000 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCc2cc(Br)cc(C#N)c2)n(C)c1=O 790856161 ZKLLEMDGXZFYLZ-UHFFFAOYSA-N 432.234 0.811 30 20 ICED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 794631027 IQMOKCUVVJNRIN-UHFFFAOYSA-N 439.522 0.475 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)c1 807545788 LKQNZWSNOPREAD-ODUIBEPXSA-N 435.506 0.162 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 808173954 GJUDYRIMBCZWRL-WMZOPIPTSA-N 441.488 0.907 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c(C(F)F)n1 812279405 QIBHOYSLLXXVJB-UHFFFAOYSA-N 435.456 0.329 30 20 ICED COc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 912679179 JIPLXPISMUGCCX-UHFFFAOYSA-N 444.469 0.652 30 20 ICED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 915386820 UKETVPLDASFWLL-UHFFFAOYSA-N 437.543 0.808 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 918730283 XBOYINZMYIHNRC-UHFFFAOYSA-N 432.452 0.081 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1302495718 JDSSKEDRLJSJEI-MSOLQXFVSA-N 446.533 0.750 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1302979408 PWAHGUROEFIPAB-KXBFYZLASA-N 447.496 0.650 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1492548258 WKGLVRVQCBJHBP-GOSISDBHSA-N 446.533 0.930 30 20 ICED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1510889301 PTZBSOJIDHXNAM-HNAYVOBHSA-N 434.497 0.678 30 20 ICED CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515127769 UVCXFPXEYZEPBO-OAHLLOKOSA-N 427.513 0.718 30 20 ICED CCN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1515297211 ZRHXTFMJZXWKPT-CQSZACIVSA-N 436.476 0.399 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1566409861 NNHHQAGWTINIEW-INIZCTEOSA-N 429.525 0.938 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1611686883 NTGFIEWBRZKLFX-SUNYJGFJSA-N 425.534 0.815 30 20 ICED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1695922926 YLIGUCYJDYOGMR-UGSOOPFHSA-N 441.533 0.637 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1=O 1769071366 ZLTFBUYSVPHWHM-INIZCTEOSA-N 428.518 0.920 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1770344720 VKXSNEUFNHLBJO-WBVHZDCISA-N 443.533 0.410 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779099494 HTUSWZYOSAYEGX-FGKIGFKSSA-N 446.504 0.992 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(c4cc(NC5CC5)ncn4)C3)C2)C1 1780912851 IDBXISRVGFDISZ-UZUQRXQVSA-N 438.532 0.730 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCC1=O 1781296568 ZWAHNAIOITVKIV-JOCHJYFZSA-N 441.463 0.678 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318374 GTCAEGJMKKHJMI-QNZROTIXSA-N 431.493 0.802 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784348001 BZYWRAFRNXSXMZ-KSFYIVLOSA-N 428.537 0.626 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784397177 OQVZYLDEGXULIZ-HXUWFJFHSA-N 442.501 0.677 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787386230 XXPUWNVHVHBDQT-HJWJTTGWSA-N 443.504 0.601 30 20 ICED CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n[nH]1 1788601177 LROFVEMIEPGCSQ-BORMZHTISA-N 430.509 0.677 30 20 ICED Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658329 JHQYWCKAXUOZSK-HPQLPZLCSA-N 431.493 0.907 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789267877 DIMBMZOBIOMHRZ-BPUTZDHNSA-N 439.921 0.850 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n[nH]4)C[C@@H]32)ccc1F 1789906966 CYAUYTMQKOUAHB-YEWWUXTCSA-N 427.436 0.962 30 20 ICED COc1ccc(COCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1791384648 KWYWYDJDPRUIBQ-WDSOQIARSA-N 430.457 0.280 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c(C#N)c1 1793165396 MZQGUHXFDDEREU-UPHUGPLXSA-N 442.472 0.151 30 20 ICED 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)C1)C2 1793343102 KPQURXMRUFUIOU-IEWDOMPSSA-N 449.548 0.871 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C)nc1 1794047185 TXNLTRAZEKVENJ-YTRCMYEKSA-N 426.517 0.771 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1795421672 STBLXVLKWLNSGX-AINOVGTFSA-N 426.517 0.515 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323232 QPDKBMUTIFSENK-AXVVYFOYSA-N 441.532 0.988 30 20 ICED NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744485 SZIWAJAPHAHREK-FDHDJMNUSA-N 427.505 0.460 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1799395479 CBPSETWXUUSIBZ-NFFDBFGFSA-N 442.563 0.237 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882608 BFIHLXFETXBMOP-PFIYSYJPSA-N 448.483 0.496 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)C3)ccc1F 1800132900 MTIGJPUQSKESIP-MUJYYYPQSA-N 449.446 0.923 30 20 ICED C=CCC(=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 1800996863 YWNXLFHXZWEFKG-OREBXVKISA-N 437.537 0.770 30 20 ICED 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]1CCOC1 1801515757 OTYUZLKEALHYJZ-DFBDCSAJSA-N 435.521 0.529 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1801765241 OHQOJDOQZZHYMH-NYYTWLDWSA-N 437.504 0.850 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808835838 BVUVCDIYRJGFMH-ALKREAHSSA-N 444.492 0.440 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1811795261 MKDFAODLEQTTCD-QKNQBKEWSA-N 434.500 0.866 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666598 XLIZUOPYIBASKB-JANMCLQWSA-N 433.494 0.876 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813126 OOFWSVVXQDUJHN-DOMZBBRYSA-N 445.509 0.796 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477618 KUFYQFVGBUDBQA-RSFOSLOZSA-N 426.481 0.954 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)cc1 1829632227 VUZVOXSQRISMBR-NRFANRHFSA-N 425.445 0.644 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632502 VQSNBTNWVLNCDM-NFBKMPQASA-N 428.533 0.945 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1829859248 CFTRFYHYECIVKK-KNQAVFIVSA-N 428.489 0.543 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccccc1 1830408222 AQNOQRKHSFNDRM-KNQAVFIVSA-N 444.488 0.844 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1OCCc3ccccc31)CCO2 1831249222 GDMRNAASFJXHGN-CVDCTZTESA-N 442.468 0.235 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1831398966 NGZXHMNAFDNOMK-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3C)CCO2)C1 1832630673 NYICEMZRELTTDG-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)c3cccn3C)CC2)CC1 1833469131 WETGFDALLFEXFG-QGZVFWFLSA-N 428.533 0.818 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n1 1833763632 PWBYQZHSVRSHLJ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n[nH]1 1833825045 ZQFWLGXUXGBGNH-YWZLYKJASA-N 435.481 0.483 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834390431 ANYQWGYQYRVGAA-HSZRJFAPSA-N 437.500 0.995 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1834756009 HWSBJMCILYOJCM-QHCPKHFHSA-N 441.532 0.664 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1C(F)(F)F 1835341291 WCMHHDYOJFHKKG-GOSISDBHSA-N 441.410 0.813 30 20 ICED Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357401 WRRQGPYBSSCRLO-QGZVFWFLSA-N 440.298 0.556 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1ccnnc1O 1836062595 DQORRMBSTXQSCC-LFVJCYFKSA-N 443.552 0.839 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837195974 FDZCINRCNYBACL-GCJKJVERSA-N 443.504 0.601 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C(F)(F)F 1837385965 XRVWFFPYOIWWGL-DYVFJYSZSA-N 436.431 0.269 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837398609 GDFFWWWJWWRUOZ-YADARESESA-N 448.560 0.715 30 20 ICED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486853 RNCYZPNSUTXXGO-HSZRJFAPSA-N 434.533 0.568 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837630241 LFZXWHGEXAMMJZ-HRAATJIYSA-N 447.492 0.277 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1C)CCO2 1838355223 JLVAKIFHTJYICB-XBKFQHLESA-N 442.516 0.627 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1838737850 AYBQOKVEXYZGSM-NRFANRHFSA-N 435.444 0.313 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1838951548 VWVBGVSRVMQXNG-HSZRJFAPSA-N 449.467 0.662 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)cc2)C(=O)C1 1838993551 ZFAMXARWHFTMHY-QFIPXVFZSA-N 439.472 0.783 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839084976 RYLQAGQHTDFQCI-ULMVMLMRSA-N 425.551 0.162 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)ccc1F 1839185761 KNFSGCBWJJWKAM-CWZMJNCASA-N 431.464 0.467 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)n1 1839186903 WROLAANOCQRTIM-JOCHJYFZSA-N 441.463 0.744 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839532169 WQLKJDJMYGKCCD-QFIPXVFZSA-N 444.536 0.181 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629855 RYSPJXUSFDWWKT-BTYIYWSLSA-N 444.492 0.829 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1)C(F)(F)F 1839894299 UTNUCKYKSRCBSS-LJQANCHMSA-N 441.406 0.974 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1)c1ccc(O)cc1 1840219940 OOFWNQNWPKYMRM-WMZHIEFXSA-N 430.501 0.992 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)C1 1840568827 PYLWSRHDVSFTHR-QFIPXVFZSA-N 431.920 0.710 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nonc5c4)C3)C2)CCC1 1840814040 LHGGHDFRRWPUDH-OAQYLSRUSA-N 425.445 0.987 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1840818843 APGRCSIINHQOGN-NRFANRHFSA-N 426.429 0.695 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840842783 ACFCLJIHXIEVGE-DORXLWPQSA-N 429.473 0.322 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccc(O)cc1 1846413820 VMRBPVMWNRLPFR-HKUYNNGSSA-N 426.517 0.685 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 64024263 PCIIMBNIYLPARY-JOCHJYFZSA-N 439.560 0.773 30 20 ICED CCc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 410146960 FPUNANFEYCFARX-QFBILLFUSA-N 436.534 0.630 30 20 ICED COc1cc(NC(=O)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 427029231 PCWNQNMDDJAYPT-UHFFFAOYSA-N 446.485 0.951 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 437434583 QXRZSHIZWVGBRR-ZDUSSCGKSA-N 435.535 0.608 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cc1 441953977 ONFMEUAMOIXRBD-OAHLLOKOSA-N 425.510 0.737 30 20 ICED COc1cc([C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 446137232 HSNMXYLVBDBYPE-RISCZKNCSA-N 437.478 0.494 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NC(C)C)C1 460951635 LSLLOSKCYBJVHX-UONOGXRCSA-N 434.588 0.371 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCC(=O)OC 474337444 NOOURKKIQGWIQU-UHFFFAOYSA-N 442.541 0.986 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 484542235 ZYDLSESVWSAJJG-UHFFFAOYSA-N 446.489 0.080 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)cs1 489004319 BSCLOIIZTLVWPE-ZFWWWQNUSA-N 431.539 0.962 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 489233884 QUHUYUXCKMMETM-NQIIRXRSSA-N 425.533 0.919 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 492481457 DQHRMZVHUCXAAQ-SFHVURJKSA-N 425.493 0.706 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 499004209 UCOAGOUBUAENOD-UHFFFAOYSA-N 448.495 0.768 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 499082164 XPMQROAKKHTXOO-UHFFFAOYSA-N 436.310 0.928 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)C1=O 505405236 XCCYKSUASYJYLC-CZUORRHYSA-N 430.436 0.971 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccon2)c1=O 505659567 JQOSJYZBAUDMHS-UHFFFAOYSA-N 438.513 0.550 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1Cc1ccccc1 512612577 PIKGUQFYAQZVQE-GOSISDBHSA-N 437.591 0.785 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2sccc2-n2cnnn2)CC1 515813104 HXUVBPLDDOJZMZ-UHFFFAOYSA-N 429.487 0.742 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1C 516483700 QEFVEWCKHSCPDR-UHFFFAOYSA-N 442.501 0.457 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 522799572 CMOCKVBNHZCMFZ-UHFFFAOYSA-N 428.536 0.186 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2sc(C)cc2C(=O)OCC)c1=O 524239226 PWLTWACWYRLUBG-UHFFFAOYSA-N 434.474 0.729 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(CS(N)(=O)=O)CC2)CC1 537273414 IXZYNTIQUSRNTE-INIZCTEOSA-N 425.580 0.457 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2OCC)cc1 546096998 LOHGTYRWZYTNII-IAGOWNOFSA-N 425.507 0.742 30 20 ICED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 548290019 VTKPBEJLBBCXBH-CQSZACIVSA-N 439.472 0.758 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 550008412 TYMUBGKKLNYWHI-KRWDZBQOSA-N 433.578 0.448 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N1CCOCC1 550665979 SGLCKPUDXXJENE-NRFANRHFSA-N 429.565 0.921 30 20 ICED COCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 553804508 OFPLODZHZGCHNW-KRWDZBQOSA-N 445.495 0.490 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H](C)C1 558129990 CKUGWGZJCBUJLM-IAGOWNOFSA-N 439.607 0.813 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 562132504 QPWQLBNKBFGASK-OAHLLOKOSA-N 427.440 0.315 30 20 ICED CCC(CC)[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 563515056 BZZLCRAHWIFDRD-FQEVSTJZSA-N 442.564 0.855 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)Oc3ccc(F)cc3)CC2)c1C#N 575084860 KSTLGPLYDWESNS-AWEZNQCLSA-N 428.468 0.972 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1cccc(C#N)c1 587675124 UZIJGYSVJPLRAS-AWEZNQCLSA-N 431.474 0.398 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 589414912 LHGVZYKIYXTNBH-HNNXBMFYSA-N 427.486 0.331 30 20 ICED N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 603703272 APQRIAYFUVMZEF-UHFFFAOYSA-N 439.497 0.761 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 604154283 CHDLEEDINRQGLP-UHFFFAOYSA-N 443.441 0.938 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)c(F)c1 609461988 UUESKXDEOHXKFF-IXDOHACOSA-N 448.520 0.818 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 610665178 CQVCEKAXHPVUPR-KSSFIOAISA-N 434.497 0.635 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C 682877503 XSZUUUBTMHLTOR-UHFFFAOYSA-N 442.541 0.910 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 732089863 QZMZJXXLDSULLL-UONOGXRCSA-N 433.494 0.253 30 20 ICED CN1CCN(CC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 732107916 YREKSXWFJAAATK-UHFFFAOYSA-N 433.578 0.601 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(c2ccc(F)cc2)CC1 732445598 OLZLXHCJBPIVJR-FMQUCBEESA-N 430.484 0.773 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742698333 QSPCLQIXXYBRCO-MGPQQGTHSA-N 427.548 0.976 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 747860587 GQIRTVWXJDLGLQ-UHFFFAOYSA-N 427.549 0.988 30 20 ICED Cc1ccccc1CC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 749806753 FUPCVAMVTXTXAM-UHFFFAOYSA-N 440.525 0.947 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cscc2Cl)c1=O 758051379 VPJSAOWEDZTOFN-UHFFFAOYSA-N 446.985 0.925 30 20 ICED CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 759497078 OJDZLYRWKMTGSZ-OLZOCXBDSA-N 449.476 0.845 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)s2)c1=O 763298919 CRBKLWRULSWMOC-GFCCVEGCSA-N 437.543 0.280 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 783920375 KJVURAIOMAKBIU-UHFFFAOYSA-N 434.928 0.909 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1=O 788113473 LMDHYJUUENGBBQ-UHFFFAOYSA-N 435.488 0.446 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)CC1 790187795 KSKOEOGRGZCNAK-UHFFFAOYSA-N 447.435 0.548 30 20 ICED O=C(NO)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 791273393 UTYHYHMZFUDQMA-UHFFFAOYSA-N 425.488 0.818 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794632876 SAZLMWHFMSVMGF-UHFFFAOYSA-N 443.485 0.306 30 20 ICED N#C[C@H](C(=O)Cc1ccccc1I)C(=O)N1CCS(=O)(=O)CC1 797023969 OUIOZAAATVIGJY-GFCCVEGCSA-N 446.266 0.800 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514445 DUSRFAAPQBKPKB-HXPMCKFVSA-N 439.490 0.385 30 20 ICED C=CCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800778991 JZMBMKKPLDXOLT-LSDHHAIUSA-N 431.584 0.617 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 804819923 RQWTXTYVKRWHAN-UHFFFAOYSA-N 435.289 0.384 30 20 ICED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 804909236 MUNQBCAPCXYGBI-UHFFFAOYSA-N 431.474 0.080 30 20 ICED CC[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 810581867 YJPBGIFFMJHBQO-QLFBSQMISA-N 427.523 0.988 30 20 ICED Cc1cccc2c(=O)n(CC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C#N)cnc12 816127279 NIUNEDJVCNVHQD-UHFFFAOYSA-N 427.398 0.990 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 849119580 ZQVNZUUVWQERAC-IBGZPJMESA-N 436.490 0.665 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 917195154 WMJRCTSMIPKLFA-UHFFFAOYSA-N 435.527 0.778 30 20 ICED CN(C)C(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 920203963 WLCRAXLJYJXSRO-JWGURIENSA-N 437.522 0.423 30 20 ICED COC(=O)C1CCN(C(=O)[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(C)C)CC1 1116125288 SONBIFBVSLNDSZ-LYHOESIGSA-N 435.477 0.882 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1116489062 WNLUBZDTFLAIBN-MGPUTAFESA-N 449.533 0.992 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1541911329 OBJRARPUSIHKIC-AUSJPIAWSA-N 448.549 0.936 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C1CC1 1554658341 PSMMMCPQHXXNIF-FVQBIDKESA-N 426.543 0.632 30 20 ICED CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1613895596 WNZCFOUBQDMLIE-HUUCEWRRSA-N 447.565 0.816 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1618847595 YRRPAMBPSIRSLQ-QGZVFWFLSA-N 434.522 0.893 30 20 ICED Cn1nccc1[C@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1633708772 UGICUCGNIQVHRQ-LJQANCHMSA-N 431.518 0.821 30 20 ICED N#CC[C@]1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1638968692 UNXVQMNUKFFWOO-FQEVSTJZSA-N 434.518 0.177 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1693885725 YXMVIADSMSZLBN-YCRPNKLZSA-N 426.477 0.595 30 20 ICED C[C@@H]1CCCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1708079340 OKQZIOZUAGRMEV-VQHPVUNQSA-N 439.586 0.737 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 1724009743 HHJNSNXAKIQUSW-HNNXBMFYSA-N 438.554 0.656 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCOC[C@@H]2C1 1740747521 MNSRGACFMPRQRX-AWEZNQCLSA-N 425.331 0.830 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1760307840 WILQHNMSGSFFBZ-CQSZACIVSA-N 448.387 0.857 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1766730797 KRTMRKMVKJDHQL-OAHLLOKOSA-N 434.522 0.893 30 20 ICED COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767967928 KKYATYDLVVJBIP-ZFWWWQNUSA-N 425.559 0.490 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918388 BSPFFMNIXPLFMG-GQWAEJPESA-N 435.550 0.462 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779382809 LRHASMDVROGZLI-FQEVSTJZSA-N 440.416 0.955 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)c2n1 1782009986 BZMIJBNFLNMPPL-VGOFRKELSA-N 439.472 0.562 30 20 ICED O=C(Cc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784247900 IKWIXVDLXYQPMA-ZHBYCCPMSA-N 431.493 0.528 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1785426389 XYFWUEXROQTTII-BSRJHKFKSA-N 449.548 0.848 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787616677 DWAXUUDNICDBBA-OWLYRPNTSA-N 445.520 0.920 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CC(=O)N4)[C@H]2C1 1788260642 BXXQGNHCGDGUJP-CQEAQJRCSA-N 425.485 0.813 30 20 ICED O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)NC1CC1 1788601097 WNDXQGIHMXBWBY-YAZNDHELSA-N 431.537 0.273 30 20 ICED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788721776 OQQQTXQLFJEPKC-XSLAGTTESA-N 431.541 0.176 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)c4ccn(C)c34)[C@H]2C1 1789149428 SOAZLVWRWXCPRO-LNMJFAINSA-N 440.500 0.911 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1789955088 JVVAEAONQUOFQX-XUXIUFHCSA-N 437.415 0.873 30 20 ICED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790330390 IXXJCCOERZEBCY-QRTARXTBSA-N 440.460 0.384 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]21 1790794627 XSAUZFNOSOJMSH-BZSNNMDCSA-N 434.537 0.152 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)ccc1-n1ccnn1)C2 1793346245 GJGKMYNQJBJYOU-UGNRZPKXSA-N 437.500 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1793349986 URQBNENNOALBAU-WCXIOVBPSA-N 435.521 0.672 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730380 GJQFRQHMNBTTEB-WISYIIOYSA-N 441.378 0.732 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795351509 DCZKEEYOVPARTF-XEWGZNJASA-N 444.492 0.407 30 20 ICED 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 1795727925 UHOWYBAYJYHUSC-MDMSPXHWSA-N 436.553 0.491 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795809257 FNHJVASMKDBEPT-BBIADKPPSA-N 435.484 0.949 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1cnnn1 1796448306 MHJFMHFLXHHUPF-ZKPVWFECSA-N 430.490 0.324 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784045 GXLNFODQNJCHIK-UGNRZPKXSA-N 433.549 0.579 30 20 ICED 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)cc1)C2 1797789913 MPPJOOXVWHBANE-IYWMVGAKSA-N 443.456 0.256 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797987592 RXMOWGSYHFZYFM-MPTYRVRUSA-N 433.509 0.929 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)N1CCN(C)CC1 1799186206 UDISVISOOFTILO-LAVAIGHBSA-N 443.523 0.536 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354896 YHAVTARQMRZOTM-SFNKJDCFSA-N 437.537 0.655 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799684586 HFLZQGVLSJHDFQ-YVGSNYORSA-N 429.473 0.385 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c1 1800199607 AOOAIIMURPSYOD-HCBXPFHNSA-N 435.484 0.774 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C(F)(F)F)cn1)C2 1800773081 DPCNVOAJXBXEBF-DBWKPXFBSA-N 439.390 0.711 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2)c1ccc(O)cc1 1801053685 KRUUZGKNKJMIBF-UGNRZPKXSA-N 437.500 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1802489792 MKKQSCQMGYIQMP-GCZLRLAGSA-N 425.489 0.082 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802926066 OGOHMMSUWMGJGB-IXDOHACOSA-N 446.504 0.315 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803515438 RXGCSWCEBXPDRZ-MJGOQNOKSA-N 449.577 0.804 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1803551747 BIBAIWMOEGNXMQ-QXCFHYIPSA-N 433.530 0.703 30 20 ICED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)C[C@H]4NC(=O)NC4=O)CC3)C2)cc1 1804941701 KBXSGDAKKLQIGU-GOSISDBHSA-N 437.500 0.930 30 20 ICED O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)C/N=C/c4ccco4)CC3)C2)N1 1806848653 JUXLOSCTSYZZFW-BFTVFPACSA-N 429.477 0.528 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)cc1 1807194648 UAIBARRYDDSPIG-DYXWJJEUSA-N 434.500 0.866 30 20 ICED NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808261755 OCTPLEHPKCSRPR-UDBAPERZSA-N 427.530 0.874 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2ON=C(c3ccccc3)O2)[C@@H]1c1cccnc1 1810166477 SCDHBZHTWVPCCT-DHJUGAMNSA-N 448.435 0.910 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036386 AQDZZXNYRHFGFT-GXFFZTMASA-N 444.517 0.831 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829519486 HSARVSIMLDZKNW-WNBNNUDTSA-N 447.879 0.912 30 20 ICED NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830469716 FAZOMTMQZSBGCC-NRFANRHFSA-N 433.892 0.413 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831490812 LXQWMKYYLTYYSX-YLJYHZDGSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831490989 ROQQJRRSAPNQKP-GHTZIAJQSA-N 436.578 0.933 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672709 ITDBRLLYHLKIEK-RTBURBONSA-N 443.504 0.165 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1832453087 PEZASXGACHGGNP-HXUWFJFHSA-N 431.518 0.719 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833307618 IUIWGSYDRPGPCM-XMMPIXPASA-N 448.479 0.302 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1833469205 MKMFPKKSKRLOFG-KSFYIVLOSA-N 437.537 0.212 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833944604 GOQFFWUSNXPLTB-UHFFFAOYSA-N 447.536 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834677022 KKFKYFIFOQMDDQ-UHFFFAOYSA-N 441.536 0.235 30 20 ICED CC(C)OC(=O)c1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755821 DJIDCFOUFNNXDN-NRFANRHFSA-N 430.461 0.630 30 20 ICED COc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)ccc1[N+](=O)[O-] 1834765710 JWWHLNPKYZBSCX-FQEVSTJZSA-N 432.433 0.516 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1834775087 PESIMULZMYVNLW-VQKOGROQSA-N 427.457 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835047559 LZHLVFCOLJGISA-JXFKEZNVSA-N 447.605 0.623 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158135 DUJQHNPGFGDQGN-NMWDDECMSA-N 429.521 0.552 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883824 FZVNJSDMYNQSCG-JXFKEZNVSA-N 433.534 0.754 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837374902 KGVBDKBOFSMNCL-UTKZUKDTSA-N 440.541 0.133 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1837398762 HZRZFLGNYVAAFY-HTAPYJJXSA-N 433.505 0.733 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837767621 BFALIHOVAGNLIX-NRFANRHFSA-N 435.427 0.727 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837890516 KQTYYSSBWXPFRA-QEVIJRNUSA-N 448.907 0.663 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837948808 AURJBFOAKXFMHQ-OAQYLSRUSA-N 430.461 0.438 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)c1Cl 1838319882 SVNMHFMMDLNHSF-LJQANCHMSA-N 431.836 0.978 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1838400668 SSEUWWNUZNHYJE-HXUWFJFHSA-N 436.505 0.893 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ccccn5n4)C3)C2)c1 1838737469 UGIBKOSUIPVBAG-QFIPXVFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1839224684 NOLDGLLQFRADEI-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518316 MOTVZPISDNFPBW-IIBYNOLFSA-N 449.508 0.537 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839648095 SHDSDPOKKBYOHK-JLOHOZFJSA-N 426.473 0.668 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2C[C@@H]2F)CCO3)c(C#N)c1 1839771297 YOTCMAMSJJCCBU-IPJJNNNSSA-N 431.464 0.924 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839841621 ULVGZINQURRRCH-VPCSNGCSSA-N 438.550 0.457 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840196302 RIXPBLLFXQNEMK-DENIHFKCSA-N 432.542 0.609 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840801173 ONHNFWOYQWXBJP-JOCHJYFZSA-N 435.521 0.771 30 20 ICED CC(C)(C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1ncc(Br)cn1 1841454507 NCDIZZZDQDQFAY-UHFFFAOYSA-N 435.278 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2 1841604164 CEKWCKSIHBBSIR-JKSUJKDBSA-N 437.537 0.892 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919072 SFWRSKVRTJTAFY-OAHLLOKOSA-N 437.541 0.357 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843359314 KNJXNWBJYFUWJG-CYBMUJFWSA-N 445.476 0.621 30 20 ICED COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409578553 UKXRIDKUQVOSLO-HOCLYGCPSA-N 439.490 0.635 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436595646 MLZYIJMEFXSVQM-OAHLLOKOSA-N 442.497 0.915 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1 442080733 OLMPWARSSMDPHC-IAGOWNOFSA-N 436.534 0.982 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 442942995 JRNJVDDYBZLRRD-KRWDZBQOSA-N 434.543 0.993 30 20 ICED N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 443122093 ZQBBLPVNADEQMH-UHFFFAOYSA-N 448.954 0.531 30 20 ICED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)n2C2CC2)cc1 447483553 VWEYCVHRFCGFLT-UHFFFAOYSA-N 430.490 0.411 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461359486 KAQMLRFEKXZLKV-UHFFFAOYSA-N 436.493 0.338 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)n2)cc1 462962566 CNKQUMYRYUAQFY-UHFFFAOYSA-N 429.440 1.012 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 465418722 CVENIPCYDPVQFU-LBPRGKRZSA-N 449.393 0.748 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)n1 471393609 VYCQABCDFOZNOR-RBUKOAKNSA-N 431.562 0.809 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 475704758 RBDFQZXTJKRTHS-RTBURBONSA-N 438.488 0.883 30 20 ICED COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 477680436 RXPCQWSLCRXWMD-LJQANCHMSA-N 427.505 0.397 30 20 ICED N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480959680 WZXWCIRRWPMYQA-UHFFFAOYSA-N 447.432 0.823 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)nc(O)c4c3)C2=O)cc1 486650668 LBRYKTAMKHZTAR-QGZVFWFLSA-N 439.453 0.992 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 501960487 VEDIYGZQJUWWSB-HNNXBMFYSA-N 435.462 0.308 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(Cc2ccon2)c1=O 505668135 YCBQVMJRLINLMP-UHFFFAOYSA-N 447.480 0.525 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 507346870 CUSDDJMZNJKYQR-UHFFFAOYSA-N 432.506 0.429 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 523256148 VTOPAJWKKXGGIN-UHFFFAOYSA-N 447.520 0.668 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)C1=O 523312147 ZLSVODJZXLVEPO-UHFFFAOYSA-N 438.462 0.251 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)C1=O 532011012 FYDYCXPTMIJSRT-UHFFFAOYSA-N 444.488 0.633 30 20 ICED N#Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1F 539250168 FDZQDHGJCIGSPH-UHFFFAOYSA-N 438.506 0.851 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cn3cc(Br)cc(C)c3n2)C1=O 546822380 WMMUJLYDTOEFRT-UHFFFAOYSA-N 434.250 0.998 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 550789708 ACAREPMIYVPENL-UHFFFAOYSA-N 427.553 0.136 30 20 ICED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 553255124 NSOBOVFWBWDHEK-UHFFFAOYSA-N 442.925 0.992 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 553807844 DWLJHISHZLHGEQ-IRXDYDNUSA-N 431.468 0.146 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C(C)C 556210114 YOSYOYGDDDOCHC-VGOFRKELSA-N 433.553 0.638 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 557084129 INPALQFJPZFIHQ-ZDUSSCGKSA-N 443.469 0.703 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)C1=O 559488337 OJNPMPJXALEAOD-UXHICEINSA-N 428.533 0.730 30 20 ICED COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 561278362 YOZUFHSKTBGSOB-HNNXBMFYSA-N 440.504 0.841 30 20 ICED COc1ccc(NC(=O)Cn2cncc(C#N)c2=O)cc1S(=O)(=O)N1CCCCC1 564391127 WABUKOGDUXIPKN-UHFFFAOYSA-N 431.474 0.937 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 571902729 FLOKYWGDQZOHEU-UHFFFAOYSA-N 439.513 0.134 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 573708650 QEDFATFKGMQYHC-LJQANCHMSA-N 441.532 0.087 30 20 ICED CN1CCN(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 573767288 KOLVURJGLDOGEA-OAQYLSRUSA-N 441.557 0.941 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 585693140 PXNOTFLPKXXEKY-INIZCTEOSA-N 431.493 0.774 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 589031972 XEECKSZAXWZEEJ-ZDUSSCGKSA-N 427.914 0.927 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498183 VSONODWZQWPAOL-TZIWHRDSSA-N 443.523 0.715 30 20 ICED COc1ccc(CNC(=O)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 609413152 RJMWBDXDMDTXOE-UHFFFAOYSA-N 430.486 0.852 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2cccc(C#N)c2)CC1 609740541 XJTAUQFTIUMFIW-UHFFFAOYSA-N 434.543 0.973 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 610505992 PBNRSIVFFUEWRI-UHFFFAOYSA-N 447.498 0.835 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1-c1ccc(OC)nc1 619695983 MEUIALMYTNDEJI-UHFFFAOYSA-N 440.456 0.699 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCCC#N)C1=O 728780154 OKVRTLZQIIZGOF-YUCJCZDXSA-N 437.547 0.964 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)cc1 730892367 MUTFLFARLKKCMS-UHFFFAOYSA-N 444.469 0.652 30 20 ICED CCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 742517613 QFMNDOAOCRCTII-KBPBESRZSA-N 427.548 0.929 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1[C@H](C)c1cccs1 743728218 MIUBJCGTFOWIQW-CYBMUJFWSA-N 443.554 0.673 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746175157 ZLEYVJGIUHEHFF-AWEZNQCLSA-N 440.481 0.689 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)c1 747957867 VCVOHFACFJCRBE-OZNQOIHVSA-N 443.460 0.635 30 20 ICED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3c(N)n(C)c(=O)n(C)c3=O)nc2)C1 749811568 CBRZKVGSADNKOU-STQMWFEESA-N 449.537 0.174 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2ccn(C)c2)c1=O 763461184 UAQQSNLZNIAHBV-UHFFFAOYSA-N 426.542 0.989 30 20 ICED CCCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 767037609 QNAVIUPENMTEGK-UHFFFAOYSA-N 446.489 0.250 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2sccc2Cl)c1=O 782792871 NCTFWCIJLAYETC-UHFFFAOYSA-N 446.985 0.925 30 20 ICED C#CCOCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 784592179 VHMYBXZKLXGTMJ-UHFFFAOYSA-N 431.308 0.850 30 20 ICED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)cc1OCC#N 785286719 OQZPUOOPHCUSGU-RRCSTGOVSA-N 433.392 0.618 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cn2)CC1 786442060 QXNOVKIBXUJGRE-HXUWFJFHSA-N 447.471 0.936 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1cc[nH]n1 789954724 NPYCKOJUUAQQRF-MRXNPFEDSA-N 448.524 0.239 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 793195459 MRQKIXKJNHSVKT-UHFFFAOYSA-N 446.938 0.885 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(Cl)cc1F 807326772 ANWLNVBVTABACY-INIZCTEOSA-N 447.854 0.964 30 20 ICED CC1([C@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)OCCO1 808237485 TXVJYLORTOFGJI-OALUTQOASA-N 440.500 0.777 30 20 ICED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1 808581494 XAOJSGDRCOQPQU-HRCADAONSA-N 434.290 0.968 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCCO1 809259768 YOCAOMBKHZZCCG-IRXDYDNUSA-N 426.498 0.986 30 20 ICED C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2)CC1 812052366 QULYNRYFDUUHQZ-INIZCTEOSA-N 444.561 0.902 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)o1 820471269 QVVIVFNDGYDRQO-RYUDHWBXSA-N 429.451 0.106 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(Cl)s2)c1=O 838290194 OVXMNRZIZZPQOG-LLVKDONJSA-N 441.962 0.925 30 20 ICED C[C@H](CC(=O)NCCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1263974712 CGNCXTKOXBIGMP-GFCCVEGCSA-N 435.506 0.340 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@](C)=O)CC1 1288820170 WLFBDUNJAOJKPK-CEXHIMGSSA-N 428.584 0.929 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1([S@@](C)=O)CC1 1288820177 WLFBDUNJAOJKPK-JGTBNHKDSA-N 428.584 0.929 30 20 ICED CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1313982268 UUZKSQGBRVBXQI-KRWDZBQOSA-N 425.493 0.943 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1318156578 KPDCBGXEYDDRBE-JLJPHGGASA-N 433.486 0.488 30 20 ICED C#CC[C@@]1(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1324125985 SLUSRBWOEYXUQB-LIRRHRJNSA-N 428.507 0.626 30 20 ICED CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1502382443 WTSVEHBOSXYYRC-HZPDHXFCSA-N 428.541 0.568 30 20 ICED CC(C)N(CCNC(=O)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1)C(C)C 1557167216 MHNBZGFOACWSRI-UHFFFAOYSA-N 432.525 0.294 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1627058477 QJORLTHJXOSMER-INIZCTEOSA-N 449.577 0.674 30 20 ICED COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629956919 IPXCLNGEHPICBA-OAHLLOKOSA-N 431.470 0.721 30 20 ICED CCn1c(CN2CC[C@@](O)(CC#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1643573773 VODCEWBVHVHGHO-FQEVSTJZSA-N 433.534 0.928 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1698493043 MUVBTGKSRRFARI-CQSZACIVSA-N 440.439 0.878 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1709137361 RWAZJMCSUXXAPP-HNNXBMFYSA-N 432.554 0.515 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1741045794 UALYZCAZLRLXKF-UHFFFAOYSA-N 443.533 0.521 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1743208630 PHFAOUXFMVPCGZ-KSFYIVLOSA-N 439.520 0.462 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1751987056 PCHMALLCNAGYNI-HNNXBMFYSA-N 437.504 0.922 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1760301296 WZISRZDPEAENFY-SNVBAGLBSA-N 444.377 0.278 30 20 ICED CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765606199 YBBXZPLSOPZZMZ-QGZVFWFLSA-N 442.568 0.739 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1769845124 IBRSBXDIFQDVHX-HNNXBMFYSA-N 442.542 0.014 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3ccncc23)C1 1778682331 UGLKCKAAQNMWJI-DKZVUGQWSA-N 425.489 0.895 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779203779 RDENRQYIWFFCAG-DKYLXPRQSA-N 442.513 0.366 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020361 XRUKNGBNGUMEKR-KSFYIVLOSA-N 443.504 0.348 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030296 PYLYERCLRASBQQ-ZJHLSYPMSA-N 426.429 0.966 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c1 1780170071 YQLFRSPEHXPAEH-NRFANRHFSA-N 439.428 0.525 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173763 DPGKSJFIAJKGOF-DYESRHJHSA-N 446.460 0.075 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180584 FGPGGTVKYBUNPD-DBXWQHBBSA-N 431.493 0.165 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1781270348 IAFNLPNMBDMVEL-OAQYLSRUSA-N 448.476 0.052 30 20 ICED Nc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)sc2nccnc12 1782010770 WYNMLCVQFALZJX-MPBGBICISA-N 443.485 0.489 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(c4ccc(F)cn4)CC3)C2)C1 1782799297 KRPURPXSLDDQCD-QFIPXVFZSA-N 444.463 0.355 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@@H]31)CCO2 1783056326 UKKBMBKQPOICJN-PSHPWPFNSA-N 447.532 0.722 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1783528614 XWWFFYHUCLFXOV-AXMACJOXSA-N 436.512 0.939 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cc1 1784929041 KUXZEVJGDLAVKV-GIFRWZEPSA-N 444.488 0.758 30 20 ICED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785646712 FUGRSLUGKPGOFI-BJDWKOETSA-N 430.509 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccccc3)[C@H]2C1 1786667702 KSLSKGGSCABYBO-DNOWCQPISA-N 427.501 0.558 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1 1788469852 QCLQAKPQRNYJIF-IUVQAAGXSA-N 427.498 0.013 30 20 ICED C=C[C@@H](O)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 1788569955 GYFBJNTZDZGFIM-JSRQGNBESA-N 430.567 0.220 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1788601089 VDTJAOHNGYVRIC-UZRSVZKRSA-N 428.537 0.894 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1792255812 XYBCUWDAONHPDP-OVWQWFNUSA-N 445.520 0.920 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794213297 CEKRESHDRVGRQF-QKPAOTATSA-N 425.445 0.173 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796185543 OCZJGVVBBRCVQL-MUJYYYPQSA-N 438.488 0.368 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1796323529 CMNDSIMNVUFBGS-LQDZTQBFSA-N 427.505 0.964 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1797811806 XZIDSUYNODGURG-VCLYVLIWSA-N 442.476 0.690 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)ON=C(C)C)C2 1798475089 UCMXWJKUQMHNFT-CUWKQTPXSA-N 425.482 0.920 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)cc(C(F)(F)F)c1 1799338328 BQVRRKWRIIYLOE-JLVBRIDZSA-N 441.406 0.789 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C3)ccc1F 1800130889 JNJUCIDIHKWCJV-IVSAIRAKSA-N 427.436 0.476 30 20 ICED 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(C)C)C2 1802124486 CLPNWAKAAMOKOU-SFNKJDCFSA-N 437.537 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)CC)[C@H]1c1cccnc1 1802478594 USLCPBJAIVNYMF-FLNVOPPSSA-N 448.545 0.381 30 20 ICED 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)n1cnnn1)C2 1804376507 MSTHMDVUVPBJQZ-KSWRQPAISA-N 445.524 0.789 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806586498 YINNAJBVAJPHSE-UHFFFAOYSA-N 444.532 0.468 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1826891930 XNDJUHYAWSCYJO-IRXDYDNUSA-N 446.552 0.486 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1829764252 IJCNMUIJPIVIKE-XQQSMPNESA-N 449.895 0.058 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1830053601 ZPCWOSFPMMIHFW-GCJKJVERSA-N 429.473 0.833 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830641267 UGYMUYXDKNSODG-QFIPXVFZSA-N 443.504 0.414 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830670934 VFIZBFSKMREDSE-YJBOKZPZSA-N 437.493 0.537 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831411352 PWPDHIOFXLEAHR-QFIPXVFZSA-N 447.488 0.863 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1831427784 ZYDCHEJFIBZKLX-BTYIYWSLSA-N 429.477 0.619 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831490686 IQJKILOEBMGZAO-PXNSSMCTSA-N 433.534 0.754 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)C(F)(F)F 1832154768 FWQMIQQWFXVYHV-WOJBJXKFSA-N 440.418 0.808 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1832458245 GSRIQGPLGSMRQN-FQEVSTJZSA-N 438.502 0.793 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833125190 PUKXIEKADYQUKC-HSZRJFAPSA-N 435.484 0.969 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cc1O 1833407300 SVVXQGKPYHOBCS-OAQYLSRUSA-N 425.445 0.381 30 20 ICED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833492220 PYKIXXGSSGFSBK-SFHVURJKSA-N 443.683 0.996 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1834173560 GYWLGHPDTZBBSH-QFIPXVFZSA-N 449.471 0.552 30 20 ICED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834337653 FDLIOYLNGKQEME-JAQBMENVSA-N 436.465 0.582 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccon2)CCO3)ccc1F 1834488829 DWUHBPCSPAUXPG-NRFANRHFSA-N 428.420 0.998 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834655452 HOAKVWVXTKAZMV-CQSZACIVSA-N 426.587 0.986 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835675322 NPBUTIDZXHPAPD-QFIPXVFZSA-N 446.552 0.009 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836397483 PUHSQVLXMGSQKT-HRAATJIYSA-N 444.492 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837402935 MGDSMCMEZPNGAB-XMSQKQJNSA-N 434.537 0.693 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426908 JVISAOUTMQEMAR-KKSFZXQISA-N 444.492 0.600 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)c1 1838581801 QPWXZBYFPLDTNP-KNQAVFIVSA-N 429.473 0.816 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n(C)n1 1838906554 PMROSVMLFQHJPQ-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839174490 GDPVEUNXPVOSNK-OFNKIYASSA-N 446.500 0.686 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839228435 DEWJPDYHFARBDQ-KDOFPFPSSA-N 431.511 0.062 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349855 UDUMNPALWJAQBU-UWJYYQICSA-N 435.546 0.810 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1840160174 YNPHLFPWMZUFOM-BBATYDOGSA-N 439.925 1.000 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840449752 KBNOSKWFBNLCOK-HMFYCAOWSA-N 433.505 0.896 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1840715614 HZGIFADCLMTTGD-VHTOSUDKSA-N 442.516 0.106 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1840716771 SIBWLUXHALEPTI-ICPLQIHGSA-N 440.500 0.520 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 28154917 JAGHXHBYUPFZEW-UHFFFAOYSA-N 426.565 0.298 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C[C@@H](C)O1 36748162 AEOZXDQPLDHTHF-GASCZTMLSA-N 428.536 0.219 30 20 ICED N/C(=N/CCC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1 303874293 CYYRWSWLTZDDSG-OAHLLOKOSA-N 427.958 0.470 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 409599123 RDLHKJCVAINGOG-UHFFFAOYSA-N 435.550 0.300 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCCO1 433639396 XQEHGACIDJWLIL-OAHLLOKOSA-N 428.468 1.439 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1=O 440257907 GUCLASDFOWEJCT-HNNXBMFYSA-N 435.506 0.050 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C1CCN(C)CC1 440392702 SCBUBTUWYXBJOD-UHFFFAOYSA-N 430.530 0.344 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1-n1cnnn1 441670990 VJNLGSMTAPOWTD-UHFFFAOYSA-N 433.432 0.225 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 448451563 FXRFPNCCBLMHLZ-FZMZJTMJSA-N 432.424 0.895 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CCOC[C@@H]3C#N)cc(-c3ccc4c(c3)OCO4)nc21 464803386 XTOZWFXGIQRADF-LBPRGKRZSA-N 435.396 0.794 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C3CCN(C)CC3)c2=O)nc1 489020754 YOWOKMRUKNMDQL-INIZCTEOSA-N 438.553 0.989 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 500058592 JPDBCAFQHJOBNO-UHFFFAOYSA-N 435.531 0.204 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cc1 505752837 KJMDMFRGKGQCSO-QOLKULSZSA-N 438.484 0.566 30 20 ICED COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 508129918 XLTWLZLGRKIWDI-QGZVFWFLSA-N 431.536 0.613 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 508227390 TXFOHKGUQRSHHI-MRXNPFEDSA-N 437.522 0.863 30 20 ICED COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508656845 QVWOZGXOFZCCKH-LJQANCHMSA-N 442.520 0.143 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 509001861 OSXLILZVJFPDES-UHFFFAOYSA-N 448.535 0.851 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 523048950 IOEOVCYVCWTAAV-UHFFFAOYSA-N 426.498 0.914 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)ccc1SC 524282163 SZIZFLQFLWXMRA-UHFFFAOYSA-N 446.554 0.153 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1Cl 527030924 WOHGTROABPHZIN-AWEZNQCLSA-N 445.928 0.856 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)nn1 534198776 ZJNVCIADUHIJDE-UHFFFAOYSA-N 436.432 0.380 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 541491703 VBNBLDJHXYYRBP-QGZVFWFLSA-N 445.520 0.980 30 20 ICED N#CCC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 543825242 RAIXROCECKHDBP-IBGZPJMESA-N 426.473 0.792 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCCN3CCOCC3)C2=O)cc1 551158819 GGFTXUBNSMFACU-LJQANCHMSA-N 427.505 0.398 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 554492650 RIQDRPDLSGVLGW-UHFFFAOYSA-N 436.515 0.240 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)C1=O 559488339 OJNPMPJXALEAOD-WOJBJXKFSA-N 428.533 0.730 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1=O 560637210 XGLXGBMSTIPWJB-ZWKOTPCHSA-N 428.489 0.666 30 20 ICED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 578383353 NOYLSDHIJYLBLK-IAGOWNOFSA-N 425.555 0.989 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCN(C)CC1 585704722 DELQCCOOTGFJAN-QFIPXVFZSA-N 440.592 0.591 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 588864674 NGCMCLIXMFLQCN-CQSZACIVSA-N 437.378 0.360 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C(=O)N1c1cnn(C)c1 589038854 YTFUAGINRLVDNI-RDJZCZTQSA-N 435.488 0.509 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603793767 ZWRMVZBLRVMLBW-UHFFFAOYSA-N 441.509 0.475 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1C#N 607947578 ASTQUDIOQKWGLX-UHFFFAOYSA-N 438.509 0.606 30 20 ICED Cc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1S(=O)(=O)NCC#N 609413430 RHXHJTHJWGZQRL-KRWDZBQOSA-N 433.534 0.351 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 609438030 YICBVQWELHMZQF-AWEZNQCLSA-N 439.563 0.970 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC2)cn1C 726200635 MIJGUVJFNXYUMV-ZDUSSCGKSA-N 425.511 0.433 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 735200122 RZRNVOWENPQILI-UHFFFAOYSA-N 446.441 0.640 30 20 ICED CS(=O)(=O)c1cccc(OCCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 738578905 HYHBXDRPBIMBDV-UHFFFAOYSA-N 438.483 0.751 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCOC 742530708 DGAFFORRKGTSJO-UHFFFAOYSA-N 429.542 0.829 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 747820096 JJIXARAVYPYWFS-UHFFFAOYSA-N 436.534 0.345 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 755546701 MZBWMVPVVKKEOW-WCQYABFASA-N 429.433 0.945 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 756309609 RRSJTXFYFJKUSU-UHFFFAOYSA-N 434.514 0.591 30 20 ICED COc1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)ccc1S(=O)(=O)N(C)C 757158919 DJQZLFGTIXCIPH-UHFFFAOYSA-N 446.489 0.379 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 757371225 APAZQAGFUPJGJQ-GFCCVEGCSA-N 439.494 0.790 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 757898077 LVUHPNVMWIFUTM-AWEZNQCLSA-N 431.515 0.450 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C#N)C1 757899991 WXGIBPOOTQSNJA-GFCCVEGCSA-N 430.508 0.468 30 20 ICED COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C(N)=O)cc1OC 765332054 VNRCWUYCEASXPI-LLVKDONJSA-N 432.458 0.980 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 767628059 OWZXVSQVFQUHLX-CYBMUJFWSA-N 436.490 0.927 30 20 ICED CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc1 776061795 NZQSWVWAFMHLEC-NXVVXOECSA-N 436.494 0.806 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 776592591 KGIWHOULJWCHBR-UHFFFAOYSA-N 432.590 0.777 30 20 ICED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCS(=O)(=O)CC1 777422457 FFLLOVASPHFHHA-UHFFFAOYSA-N 429.568 0.630 30 20 ICED COCc1noc(CN2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)n1 780482102 AZLILJWKUAPTCX-OAQYLSRUSA-N 439.476 0.630 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ncn(C)n1 782138839 VEBKYSINHAXLIE-XQAVQBLBSA-N 433.494 0.444 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1 797388770 YZCZHNXKKVZSTJ-MLPWYGTASA-N 435.506 0.162 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1)[C@H]1CCS(=O)(=O)C1 807002852 RBZKAJYGANQJHW-HNNXBMFYSA-N 438.477 0.971 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 810782785 XIEVYGWUQAJNFF-UHFFFAOYSA-N 442.515 0.343 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N(C)C 812391772 OQHMYUURIMAGJE-CQSZACIVSA-N 430.552 0.292 30 20 ICED O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=C1CCS(=O)(=O)CC1 814687446 JCESGCIYKRSFTC-UHFFFAOYSA-N 432.480 0.592 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 815782871 ATSZPZNVZDYLPQ-UHFFFAOYSA-N 431.470 0.822 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NCCCC)CC2)ccc1F 914465439 COTCUXGJDTUKND-UHFFFAOYSA-N 440.541 0.964 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1301806835 VDKOFXSQORAAGY-CABCVRRESA-N 439.542 0.020 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316340271 PHXQVHZNDTWXSV-QGZVFWFLSA-N 431.518 0.982 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1322452439 PZVGDYATXWTCIJ-QGZVFWFLSA-N 446.529 0.564 30 20 ICED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(CCC#N)CCN1CCOCC1 1466041385 INQLTUMCAJDMFP-KRWDZBQOSA-N 438.554 0.939 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502682301 YMJBQYRQANPCLR-MSOLQXFVSA-N 444.533 0.700 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCOCC1 1510222813 QLSHJWIJCXHPEC-GOEBONIOSA-N 426.543 0.824 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539804545 YGYUOGAQMBAQTP-STQMWFEESA-N 432.934 0.030 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1541803995 PAEXXFBZSPCPOV-TXTZVMOISA-N 444.583 0.260 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1554505221 RWECOMWKYXLOCN-YWZLYKJASA-N 446.533 0.750 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)n1 1612501664 XBMZMMKGAFTJOM-GOSISDBHSA-N 425.541 0.795 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1616264063 UKEFZDSDJOMFSM-DYESRHJHSA-N 428.493 0.889 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1619548943 ZYFORZIBEGPNKA-NRFANRHFSA-N 426.477 0.263 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1696100364 ZXNHIZHISRZDFA-BLLLJJGKSA-N 432.403 0.337 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CCO1 1698490993 NOXNFPIDRCRHEX-OAHLLOKOSA-N 428.522 0.703 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1706866879 MAKXRJUQOSNCIZ-SUNYJGFJSA-N 426.543 0.558 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1710897826 IOYNUFUOMZWKRZ-UHFFFAOYSA-N 447.521 0.644 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1723934328 JHBVEJAGXGLINJ-ZENOOKHLSA-N 448.546 0.155 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1729345684 QIPUMQPECFYZSY-IBGZPJMESA-N 446.512 0.850 30 20 ICED CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750991869 ZYHNCVNNPPULRD-UHFFFAOYSA-N 439.524 0.534 30 20 ICED Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1751866304 BNVQVZNLUZUQNM-OAHLLOKOSA-N 429.554 0.996 30 20 ICED Cc1ccoc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1761635583 QHBQOZRAPFYELV-HOCLYGCPSA-N 436.494 0.290 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379876 HEEHDKMGQSDFCF-FQEVSTJZSA-N 433.534 0.379 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017829 WCMWYKIZPHGYSW-WTSMWHHMSA-N 434.566 0.315 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1779399821 GGCMSMKDQTZRBC-WOIUINJBSA-N 434.489 0.409 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1779903867 IRADEVNUVUDTJG-QFIPXVFZSA-N 443.456 0.171 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)ccc1F 1780755816 PZAPBMVOYNASHY-GXJJEBCYSA-N 444.507 0.477 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c(C#N)c1 1781172878 IBKIUAOOAVZLKI-NRFANRHFSA-N 426.429 0.947 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1781270558 OQGDXKFDYMMKCX-IERDGZPVSA-N 431.493 0.616 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781293815 BNNNIEUKFIYIRX-NRFANRHFSA-N 431.468 0.341 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C(=O)OCC)CC2)C1 1781622296 PLZRHYKZWOUPNM-GUEKAFECSA-N 447.532 0.702 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782666487 IZXJWDXAULDYDA-QFIPXVFZSA-N 437.456 0.024 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1782704991 DUGWAEKCIGKUBO-MGPUTAFESA-N 426.466 0.887 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614589 AUSHNJCJPBFCAZ-STSQHVNTSA-N 449.548 0.990 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1784489523 URODDTGEZFNYJQ-ULQDDVLXSA-N 428.551 0.855 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)C(F)(F)F 1785546547 GJMPSLVZIMOKIT-HNNXBMFYSA-N 437.465 0.795 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncn(C)n4)C[C@@H]32)c(O)n1 1785773285 VVISQLPLAQAQLY-WBAXXEDZSA-N 440.504 0.941 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563987 HMYTUDRNTHJZNY-KEXUJGGDSA-N 428.485 0.634 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1788655478 HAVGCBZNYLGGHL-WCSKPKODSA-N 431.493 0.528 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)n1cccn1 1788661177 DUWNDSCBMMWVNF-OMDWCCQDSA-N 433.509 0.953 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(O)nn4)C[C@@H]32)c1 1789256430 MGSOBHFWHUBPQB-FNHZYXHNSA-N 437.456 0.970 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1CSCSC1 1791076576 ACKSLZOKVNCCSF-QPSCCSFWSA-N 427.548 0.097 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Br)c3)C[C@@H]21 1791077224 REGGOQSZUNVYKP-IHRRRGAJSA-N 436.262 0.525 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1792145179 JYXUTNBHTOGHSO-ZJOUEHCJSA-N 436.468 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc2ccccn12 1792934531 JDQCVJAXNUDTMG-FAQVEIGNSA-N 440.500 0.976 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnccn2)c(C#N)c1 1793137785 HQQWIGOYIAHHTO-FEJSZKPUSA-N 435.484 0.732 30 20 ICED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793376323 QDLKBIYKWBWTHW-XEMDLRDOSA-N 430.480 0.744 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1793823653 LZOOJKCPOJCDBG-XEMDLRDOSA-N 430.567 0.565 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)C=C)C3)c(O)n1 1794490762 MIEPFZNIEVQQJE-MFCZKXCZSA-N 442.516 0.800 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1795598823 AFSFDBVTOHIQDF-SCAQPMJSSA-N 444.536 0.410 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)cc(F)c1 1795839979 IWPRIYXWVKYHGK-RUMDQQRQSA-N 433.455 0.955 30 20 ICED 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 1796083818 GTCBCQJZHBLRQN-ZHCJQAHYSA-N 449.552 0.134 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798464756 LFUAUTBJDGWNAE-FSDCSDTHSA-N 443.504 0.107 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)C2 1799306538 IVVYVCFFMGVEJL-VBRUWADQSA-N 448.516 0.841 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1800108640 KHLFZEZIZQVNRL-MUJYYYPQSA-N 443.504 0.778 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC(F)(F)F)c1)C2 1800779009 KBMUOAKKMUYEEF-HBCWATKFSA-N 440.374 0.805 30 20 ICED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)nc2C(F)(F)F)C3)C1 1801556240 LXQVCSQQZGBUGA-YWVIFJGQSA-N 437.422 0.737 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1807611618 WDAXTJFKDMLFFS-UWJYYQICSA-N 446.471 0.968 30 20 ICED O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)=NN1 1810222377 IIHODPURUGHHAY-LAUBAEHRSA-N 437.500 0.662 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810278283 CUEFGFMXVXLJLH-SGFBMDDESA-N 443.552 0.830 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1810357897 VLGDCEQGUPGDGX-ZEYONLJCSA-N 441.492 0.908 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389235 XUKQYYMWRCUFPA-YJBOKZPZSA-N 434.518 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)CC)[nH]n1 1814434078 MSFMPBLPMVEMGI-CDNLZTBQSA-N 437.522 0.695 30 20 ICED CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1817016246 DGGSGCHJVRBKFQ-CTRIVLPBSA-N 435.554 0.974 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751771 YRRGLYKBIKPLSX-AJQYCFITSA-N 434.497 0.654 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826315609 PWCXGLZXTWHYHH-LBPRGKRZSA-N 444.517 0.262 30 20 ICED Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)cc1 1828273710 SDFRYKBPLNQVBD-CQSZACIVSA-N 440.481 0.882 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996597 KXLSTQXWLLTJDX-HHPKLBNGSA-N 431.537 0.911 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831386617 BDVCWIGZJOBYEC-CDMIOBSGSA-N 437.537 0.032 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1831387036 KYSBKPWIUUHMQY-VGOFRKELSA-N 433.480 0.648 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831491513 DOOXKKVJDLXECL-MDYRTPRTSA-N 429.583 0.702 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)nc2s1 1832104162 LYHAKUXRRAMVAM-LJQANCHMSA-N 432.506 0.402 30 20 ICED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1832819669 NTWKCQJFLGRZHT-QHCPKHFHSA-N 427.501 0.893 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833200919 FYAPZTWQKIXDBK-DBXWQHBBSA-N 435.525 0.777 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1833465897 VEJSXVKRSJERAI-MRXNPFEDSA-N 439.520 0.348 30 20 ICED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1833768556 KIMKWBWOVLGKJB-IERDGZPVSA-N 434.493 0.961 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834156238 RNRYJXHVPNVZJJ-OAQYLSRUSA-N 426.429 0.695 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)cn1 1834171748 PZYKSQOVGCSQOH-FNEOHHHZSA-N 444.513 0.991 30 20 ICED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834235681 DMFRCKYSIWMTNZ-QFIPXVFZSA-N 430.505 0.189 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100535 YOOPHPWDDJCCIC-JPYJTQIMSA-N 425.485 0.185 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(=O)c4ccccc4)C3)C2)CC1 1835349814 ZIJZSZBPYKHKAG-QHCPKHFHSA-N 440.500 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835667487 FQSAAQBMFUQDLX-DYESRHJHSA-N 434.493 0.051 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](N)c4cccnc4)CCO3)C2)CCC1 1835838108 KJBBGIWPEWKMMQ-GCJKJVERSA-N 427.505 0.622 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836125038 YUWHTIMLJQCKKK-YLJYHZDGSA-N 439.534 0.420 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1836198922 IMUZVUIFNAGRPG-ZJHLSYPMSA-N 429.477 0.360 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315657 HEUFYRQKIVXJLP-MRXNPFEDSA-N 440.440 0.468 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837488752 PYVCBRMITYITNR-QHCPKHFHSA-N 444.484 0.408 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837965372 RFYQEESYGAQUFI-UHFFFAOYSA-N 433.509 0.786 30 20 ICED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc1F 1838731830 BDEVXNBSBZVBRT-NRFANRHFSA-N 443.435 0.813 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1838737876 COCKYNYJWFKGOO-HOGCTVLVSA-N 425.445 0.668 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951514 UBUVLVUVGDGLKG-AOMKIAJQSA-N 443.504 0.336 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838969346 BJDNCSAOWVKVAV-JOCHJYFZSA-N 430.505 0.744 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c(C#N)c1 1839132090 QYRKDXKXOQGJCA-QFIPXVFZSA-N 426.473 0.870 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1839173236 GAFBHADWCBMNQB-NRFANRHFSA-N 426.510 0.767 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839223739 HBULHFHMODLTSB-JUXOCIIHSA-N 433.505 0.977 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512579 FOOCLXPZCPTLLU-NRFANRHFSA-N 425.445 0.709 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1)C(F)(F)F 1839892920 KDWXGIFDYFYEQI-SFHVURJKSA-N 442.394 0.595 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840045879 FNUMFABIKWTRSF-KKSFZXQISA-N 436.509 0.756 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840537580 GKTZMVWMQLAMBD-VGSWGCGISA-N 429.473 0.673 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1841598602 RBVXTFCKLWRAEV-WBVHZDCISA-N 433.505 0.807 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824250 BZBRRURVQGPHLI-QGZVFWFLSA-N 436.553 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1847637130 RPCKKLOVBVSNDP-XSLAGTTESA-N 435.521 0.862 30 20 ICED CN(C)c1nc(N)nc(COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)n1 11055789 YVRVNCLGRODZPQ-UHFFFAOYSA-N 429.384 0.934 30 20 ICED Cn1ncc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Br)c1=O 301256698 UFCYYEGHCAIYPE-UHFFFAOYSA-N 438.307 0.925 30 20 ICED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 304747604 GNVWZXVBKZAJRN-OAHLLOKOSA-N 433.575 0.342 30 20 ICED COc1ccc([C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)N2CCOCC2)cc1OC 409542745 IPEIUHCIQBHARY-SJORKVTESA-N 440.522 0.136 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)c(C)n2)C1=O 410011790 NOMMNLUGYCNSAA-UHFFFAOYSA-N 428.186 0.910 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1S(=O)(=O)NCC#N 434676854 TXRLLPMHWQIOCU-OAHLLOKOSA-N 428.536 0.339 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437027041 QZYSGJYGDIOZJI-UZLBHIALSA-N 430.505 0.993 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)C1=O 440252974 HJCLQXOSJKSNEP-HXUWFJFHSA-N 441.532 0.535 30 20 ICED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 465201465 WUWRGNVKBBKDGC-FGTMMUONSA-N 425.537 0.718 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nc3cncnc3[nH]2)CC1 479194202 XTVJFTFWXLSYCP-UHFFFAOYSA-N 443.514 0.850 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(COC)o2)c1=O 481584245 DUPVHIGPTSSWHZ-HNNXBMFYSA-N 429.498 0.633 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 481609367 NLQBEGGEFHAKKX-MRXNPFEDSA-N 432.520 0.494 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 482808671 DEIHSUAXPKWXCW-QGZVFWFLSA-N 449.519 0.304 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 499042534 FYTOYSZWSZVQIM-MOPGFXCFSA-N 432.546 0.484 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 500947266 SAQFOZFGKZAGSP-UHFFFAOYSA-N 430.914 0.441 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 505998914 ZVEWWHWOOUMZJL-HOCLYGCPSA-N 437.518 0.781 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 509167901 UZFYOZWRKALDGQ-JYJNAYRXSA-N 434.588 0.246 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 525173324 YBZVGIOPKPLROA-UHFFFAOYSA-N 437.468 0.839 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)o1 530282410 RAUTXAICJAYWGM-MRXNPFEDSA-N 439.538 0.676 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 533250341 ZPIBQPPAEALXCL-RDJZCZTQSA-N 432.525 0.366 30 20 ICED CCCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534142958 KZMMSCCZIMNTGC-UHFFFAOYSA-N 428.536 0.111 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 536598167 PMDJYHLQOMYPAW-UZLBHIALSA-N 437.518 0.886 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 543273961 SEIATHJHIBQKQR-UHFFFAOYSA-N 438.506 0.310 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(SCC)c2)c(=O)n1CC(N)=O 546020449 ZJKRQRQZKAOKTO-UHFFFAOYSA-N 430.555 0.536 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546782502 DPPNKSSEOJTFQU-UHFFFAOYSA-N 445.497 0.323 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 546906425 WHLPCIDNIVNIKG-CYBMUJFWSA-N 425.424 0.884 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 550231568 FJIJRXUUUSNVKD-KRWDZBQOSA-N 438.467 1.033 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 559375743 AOJVUNGIQGZHMC-INIZCTEOSA-N 445.549 0.506 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 561121286 MFPYSFFBLIIWAJ-MOPGFXCFSA-N 427.505 0.397 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 564314203 HBWOKHLYKIQQNV-SJLPKXTDSA-N 439.534 0.325 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 573009783 WAOOVJAKTVTTRC-IBGZPJMESA-N 440.500 0.431 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 588110539 AYQGARBVDLSONT-UHFFFAOYSA-N 437.341 0.433 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 603880732 DUYJAJAZIKZFII-UHFFFAOYSA-N 442.501 0.335 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CC(N)=O 617838927 XDXLEZCXSRASBM-UHFFFAOYSA-N 445.353 0.793 30 20 ICED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669814816 PNWNQVOPQXWOIM-KRWDZBQOSA-N 434.522 0.905 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1CCOC 726784007 YCSJAXPIEQAZSX-UHFFFAOYSA-N 426.498 0.488 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 728531153 AAGKDEPRJBBREF-UHFFFAOYSA-N 446.305 0.053 30 20 ICED CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732452220 VVTJIGYIUVSQKO-ISLYRVAYSA-N 435.506 0.699 30 20 ICED N#C[C@@H](C(=O)c1cccc(I)c1)C(=O)N1CCS(=O)(=O)CC1 732909757 FOKLLZBZRZDMNZ-LBPRGKRZSA-N 432.239 0.871 30 20 ICED CN(CC(=O)NS(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739137488 DZMZELVAABTSOT-UHFFFAOYSA-N 438.443 0.592 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(Cc2cccs2)CC1 741342254 UKZQOBYLGYURHJ-FMQUCBEESA-N 432.502 0.852 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)cn1 743726032 BINLKHUQZUKMAA-UHFFFAOYSA-N 447.586 0.287 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)CC1 748809733 ISZRFBXJTIARET-UHFFFAOYSA-N 442.589 0.909 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCOC)c1=O 755626630 ARUHPJBJBPBEQF-UHFFFAOYSA-N 443.573 0.540 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 783011331 NUFOJMLJZROTIT-UHFFFAOYSA-N 435.955 0.957 30 20 ICED Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)n1-c1ccc(C#N)cc1 787999448 PSHLFJFNHHGKTM-NHCUHLMSSA-N 442.541 0.882 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1cc[nH]n1 789974148 OKIZRKASCHSKEF-UHFFFAOYSA-N 428.409 0.625 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 793203039 FXTVRAYRBPYNQS-SBSDFTTDSA-N 430.486 0.539 30 20 ICED C#CCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 799201701 SOEIHSODVCQOTC-UHFFFAOYSA-N 445.545 0.705 30 20 ICED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 810775492 IIPHLKAKPLQBIV-MRXNPFEDSA-N 442.291 0.685 30 20 ICED Cn1cnnc1COCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 815911448 BQKXHMIACXOLRI-INIZCTEOSA-N 427.421 0.298 30 20 ICED O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCN/C(O)=C1\N=CC=CC1=O 1116025760 REINGESBLFDEBG-ISLYRVAYSA-N 438.531 0.718 30 20 ICED CN1CCN(CCOc2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1137031443 QIIOIJZGAQJHBV-UHFFFAOYSA-N 426.477 0.476 30 20 ICED CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1296204527 KZVGTFQPMGHCIA-ZWKOTPCHSA-N 437.614 0.804 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1299262434 MNTAUADGYPNNFQ-OAHLLOKOSA-N 432.506 0.488 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1302992293 WCRUYCOIEWYFRY-UHFFFAOYSA-N 449.558 0.325 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1314872156 WAAQKGHJWABKER-UHFFFAOYSA-N 447.521 0.644 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)CC1 1323534416 XHZWFIAUFNUMFZ-CQSZACIVSA-N 426.495 0.569 30 20 ICED CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503300391 RSWBLFLDEBVYIO-RKXCMPKHSA-N 442.549 0.591 30 20 ICED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1505325698 KZRFPIBPWVTKEJ-UHFFFAOYSA-N 429.525 0.813 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 1510292972 CAGILVRPJFKRJX-CVEARBPZSA-N 438.554 0.778 30 20 ICED CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1547620731 LEHDHDNSYMONJA-HOCLYGCPSA-N 436.542 0.614 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1552735548 VYEYINUORSBNNT-INIZCTEOSA-N 438.492 0.373 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 1554361637 PTAHCOZAYPYMOX-INIZCTEOSA-N 443.533 0.377 30 20 ICED CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1596275405 KURLAFDBGGYALS-MRXNPFEDSA-N 438.540 0.127 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1612878289 RUCAVWQMCYWSEA-MRXNPFEDSA-N 437.504 0.733 30 20 ICED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCN(CC(N)=O)C(=O)C1)CCCC2 1643375183 JJUWLOQMPULSQY-UHFFFAOYSA-N 434.500 0.796 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1697000953 NNOUCSGMXNKUKO-GOSISDBHSA-N 437.504 0.780 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1722484168 SPTFWJVMCSSOBO-CMPLNLGQSA-N 434.360 0.907 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1760689465 XNQLYFZEQVZHLD-JKIFEVAISA-N 429.616 0.921 30 20 ICED CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1778077150 CXXOEEDWYJRAAC-IIBYNOLFSA-N 436.509 0.756 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778091734 PGJOIVGLXMMMRW-YLJYHZDGSA-N 425.551 0.339 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1778158614 DBIIXGFCGWYDCB-OAQYLSRUSA-N 430.436 0.983 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778724089 CHGLVGYWFDVOBY-FDDCHVKYSA-N 427.501 0.947 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1778941661 CLSGTQLIRUPPOM-HXOBKFHXSA-N 438.484 0.595 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779063173 QXSXXYJKGFZITF-HSZRJFAPSA-N 437.500 0.871 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175568 PWNNAILFHYSJTR-OYHNWAKOSA-N 443.504 0.718 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1nnc(C)o1)C2 1780739333 BJPKIBANAPHDLD-IIBYNOLFSA-N 434.493 0.944 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1781163258 KAUHGPVPRBUURQ-AOMKIAJQSA-N 449.504 0.551 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781268351 NYJHDSNJNKYSRH-OAQYLSRUSA-N 448.476 0.651 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1782054653 FQQRBKMWTDKSOQ-IERDGZPVSA-N 433.530 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1782236839 BDBBCOHFUPRXBY-FUMRIQNTSA-N 437.500 0.875 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782788589 FKRNVLSQTFGDEA-OAQYLSRUSA-N 430.461 0.780 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783051756 NAZGAPCUNNHNJM-HVETUWLQSA-N 435.521 0.458 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1783133730 CCXVWVMEKXMXKA-GEQKSPFYSA-N 440.500 0.587 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1784446529 VUHZNFAHSVMYOI-NRKLIOEPSA-N 446.570 0.095 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1784536819 CUXVGSBPLZRXCT-VMXHOPILSA-N 426.627 0.556 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545517 ZCVNDPCKBLKUBB-GOSISDBHSA-N 433.515 0.190 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccc(Cl)cc4)C[C@@H]32)N1 1786673656 KOJAEZLPBYIUFE-KANFNMMFSA-N 429.904 0.950 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1786860306 WWCPPKXKKNZBHV-KKUMJFAQSA-N 426.539 0.066 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786974906 BCAOBTZXYUJUFJ-BQFCYCMXSA-N 440.504 0.779 30 20 ICED Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n1 1787047696 KFWVAGHRYFFGBX-IHPCNDPISA-N 428.533 0.641 30 20 ICED Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1787184912 KACYYMBTAQTNPX-ZVZYQTTQSA-N 426.452 0.960 30 20 ICED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)nc3C(F)(F)F)[C@H]2C1 1787197917 GUHMOWZFXCCHFJ-PKIAMQTDSA-N 426.395 0.946 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788638795 HASCUTQJOKYRMK-MUGJNUQGSA-N 443.548 0.593 30 20 ICED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)cc1 1792479921 MRKBBGPEFCEOOP-BCDXTJNWSA-N 434.433 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1OC)C2 1792491506 ZODAJTZPXWTBAT-KULPGCBOSA-N 431.464 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(N3CCN(C)CC3)CC1)C2 1792567195 CYACXPLLUSVZHV-UOWARQBLSA-N 429.565 0.263 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1792629036 IWSWQHZAODBINK-CCWDJLKJSA-N 438.484 0.812 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1793340055 IVAGBXVFPHQKRY-OJVCSNARSA-N 425.485 0.808 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795981759 YHIYLRCGOLQLIP-IVSAIRAKSA-N 446.508 0.233 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2[nH]cnc(=O)c2c1C 1799147030 GPFAJIOSUAQMTC-OXOVRFNWSA-N 438.488 0.441 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)ccc1F 1799326714 AEQVZFLTZFMTCX-YNVMFWSZSA-N 449.504 0.407 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1799361579 CRMQPTGOHSKMGQ-AXVVYFOYSA-N 435.521 0.265 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccc(=O)n2C)[C@@H]1c1cccnc1 1802475938 CTLOYIQJXJZYJW-AZKGVKDRSA-N 449.511 0.958 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806819607 XZLVFXUESWTCEA-YQVWRLOYSA-N 426.521 0.648 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807951154 YEKUADODJSRANK-KXBFYZLASA-N 434.460 0.331 30 20 ICED O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1808949263 YPVOMQXCMGGUAT-ZPLWOCATSA-N 441.492 0.908 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810278768 LAHZALZKQBQGPO-ZWIMSNSJSA-N 428.493 0.668 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1812668609 MMBSUIIZPPCGAY-LZWOXQAQSA-N 435.431 0.897 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)CCC1 1816675852 UXSZGTGYKRKKOT-VIFPVBQESA-N 439.461 0.189 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819715903 XQGHJEQIPWLKRM-PVUWLOKVSA-N 438.550 0.279 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1820970303 YQZUZUOCBPRBFZ-GXTWGEPZSA-N 444.429 0.928 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)c2cccs2)[nH]n1 1822196603 CKLNOYCBNXRPBV-CYBMUJFWSA-N 429.458 0.981 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1823743249 AACBMAVVNYCXGS-IDPBEMBBSA-N 430.549 0.991 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824500014 BEKUWZRCGOLCLT-NRFANRHFSA-N 439.597 0.876 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2)C(F)(F)F 1825260692 CVAQBVPHZYJWEA-IONNQARKSA-N 431.396 0.772 30 20 ICED CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826941090 MKLLTCYDLKMVMM-ROUUACIJSA-N 435.569 0.951 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCN2C(=O)OCc1ccccc1 1828579600 KZOGFMFBMDOVGA-JOCHJYFZSA-N 426.473 0.208 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1829773586 NZIRLZBHEBHRAX-LHTVMBCQSA-N 445.520 0.067 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831397265 WQKGGXZOIHTWDN-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCN(C)C(C)=O)CC2)CC1 1833073710 AIQWBPDGEQPKGN-WAYWQWQTSA-N 447.580 0.285 30 20 ICED Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833743157 GLIXJPYFEAMGCV-HXUWFJFHSA-N 435.550 0.803 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1NC(C)=O 1834763644 QDWSMVKPXFGKMY-NRFANRHFSA-N 430.461 0.637 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835076518 OJQVWIRBTNFPPM-CQSZACIVSA-N 448.524 0.874 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100104 ADZGDXSHWVXTGB-WZONZLPQSA-N 442.516 0.202 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677663 STWJYRQMUVHVNU-LJQANCHMSA-N 436.538 0.198 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835829584 RAEWTLPSBUSAFY-QGZVFWFLSA-N 446.596 0.531 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836189675 BSBKNDPRQINXSH-XMHVBLFMSA-N 426.473 0.793 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1836279806 MHUIVGKICQOFQW-XTSMJKTBSA-N 449.508 0.571 30 20 ICED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1836464440 NXOKZCCVOWGSML-IBGZPJMESA-N 443.479 0.991 30 20 ICED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837078481 APNNPPHOSKSIBJ-HNNXBMFYSA-N 447.623 0.034 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2)C(F)(F)F 1837288488 GVYMLBWQLIZLNX-FPXQBCRKSA-N 431.455 0.902 30 20 ICED Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837369776 CSOUGRVDEJLYRY-UHFFFAOYSA-N 431.541 0.709 30 20 ICED CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1C 1837443510 DBPWBULCRFPZCQ-ZZAWEDPDSA-N 446.552 0.753 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837447386 MJTQVHOEPDFSRB-VCOZGABYSA-N 446.552 0.591 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cc(C)on4)CCO3)C2)C1 1837544681 BQZAXISJSVZGCS-OAQYLSRUSA-N 432.477 0.135 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564353 IZYUPYQWKJCMEH-YVABFXQFSA-N 442.472 0.167 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1837731757 JEUVDVVMNQKMEP-PGRDOPGGSA-N 439.553 0.586 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)c21 1838433739 UEKAXFCSBLYNNS-JOCHJYFZSA-N 441.488 0.899 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838640889 CKVJPABZUQJYKM-QFIPXVFZSA-N 437.456 0.334 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838737569 ZOWPFNRDJMDKFZ-OAQYLSRUSA-N 435.444 0.313 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1839228827 QFVPJIMXCJLEOV-GHQDRPGLSA-N 425.526 0.795 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839228877 RJUFFUBLMOXLAN-KKSFZXQISA-N 434.493 0.587 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)cc1 1839362217 DYRYSMOSHOUJIC-ZJSXRUAMSA-N 449.511 0.918 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649221 GKZOILSPQOXLBF-QFIPXVFZSA-N 448.520 0.554 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3Cl)C2)C1 1840041105 QQVLKLFSMMOUBP-FQEVSTJZSA-N 438.839 0.566 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781721 JAXUVSWFRPDSPU-AOMKIAJQSA-N 436.480 0.979 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840854769 MQINDSXQSDULBC-NZQKXSOJSA-N 442.516 0.933 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H]1SC(=N)NC1=O 1843406867 RMZGZDKBUVJFNW-GOEBONIOSA-N 432.546 0.691 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 13104870 KDBHYZCPVSOECL-UHFFFAOYSA-N 431.518 0.590 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)C1=O 410116766 GJMMINXSOFPWCW-HNNXBMFYSA-N 425.507 0.618 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C1 410130598 NKNXVYFFAVAUPF-DLBZAZTESA-N 448.615 0.685 30 20 ICED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 428209452 QWVQLFQIYFCCMY-OTLZBWLZSA-N 428.518 1.333 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CCC1 430985561 XEZDKQFSGIQFMS-UHFFFAOYSA-N 427.530 0.673 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CCC1 431038536 DDFZHFKBPSNPQP-UHFFFAOYSA-N 434.499 0.870 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N 439347458 VWIVSEVNOLILRM-CQSZACIVSA-N 438.506 0.805 30 20 ICED C[C@@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 444414906 HYNLFSBRBYYOFT-OAHLLOKOSA-N 432.506 1.257 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1S(=O)(=O)NCC#N 447762999 GZAKYJWZYSHRTR-MRXNPFEDSA-N 440.547 0.437 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](CC(C)C)N1CCOCC1 460605101 FHUPMFNUTUWTEQ-SFHVURJKSA-N 439.520 1.249 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ncccc2F)CC1 460715240 FIZILOXBVKNYAN-UHFFFAOYSA-N 434.435 1.269 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 470833711 VESJRTOFBHUQBB-UHFFFAOYSA-N 442.523 0.400 30 20 ICED N#Cc1c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2c(c1C#N)CCCCCC2 480087722 IJVXUVKFACBHLQ-WOJBJXKFSA-N 429.546 0.764 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 486001545 JBZSIWRQKAZNCX-GNVJSZRZSA-N 436.468 0.328 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 506320919 NBOAXAQUXYWHKN-ZWKOTPCHSA-N 442.524 0.536 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 506734015 UARJEHUCWLXKMI-BBRMVZONSA-N 437.522 0.767 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508808919 IWBHDVZZHOELQH-HOTGVXAUSA-N 439.586 0.207 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 508983821 CZMNDTFIMJQTGM-ZDUSSCGKSA-N 441.366 0.517 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 512481288 UDVIZAFXMDLXSS-LJQANCHMSA-N 434.566 0.080 30 20 ICED COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 513293604 ILXYVFJNRMALPF-CYBMUJFWSA-N 438.444 0.819 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@]12C(=O)Nc1ccccc12 514020856 SPBOSOBPRYSPPH-YWZLYKJASA-N 431.518 0.761 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2Cl)c1=O 523743997 YHXFUUYWGGDIJX-UHFFFAOYSA-N 435.933 0.865 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)n(CCC#N)n1 533455584 CDGZFFYGBYXBSP-UHFFFAOYSA-N 429.525 0.446 30 20 ICED C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 541924802 LDRGJVRWSGLKIX-STQMWFEESA-N 448.480 0.944 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 551192346 VMBWUGAGRIFVMH-UHFFFAOYSA-N 440.548 0.314 30 20 ICED Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)c2ncc(C#N)cc2C)[C@H](C(=O)N(C)C)C1 551827635 UTHVMSCYLNMKNG-SFHVURJKSA-N 445.483 0.892 30 20 ICED C=CCN(CC=C)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 552651430 OJZKFOVVFYHHOK-UHFFFAOYSA-N 427.548 0.935 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 555254662 UGZFRFWNVQHZFD-KRWDZBQOSA-N 438.598 0.747 30 20 ICED COc1ccc([C@@H](CNC(=O)NCCn2cnc(C#N)n2)N2CCOCC2)cc1OC 561421955 DOLTYLBKPNMNBB-MRXNPFEDSA-N 429.481 0.540 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 568538406 LZMPQCZIEILHPA-UHFFFAOYSA-N 433.597 0.738 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 584738640 RWTOSXOOYAHSIF-UHFFFAOYSA-N 444.513 0.758 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 588159876 MEGSMVILRLJHQP-QGZVFWFLSA-N 446.511 0.959 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 589215142 CJRHFAJEJAFBIW-GOSISDBHSA-N 449.515 0.735 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccccn2)C1=O 726403449 KLXSNULKNDDJNJ-CULCSUMMSA-N 447.542 0.865 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(C4CCOCC4)n3N)CC2)o1 742456862 IVASMQBSWLNJKF-UHFFFAOYSA-N 432.510 0.495 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)CSCC#N)c(Br)cc21 744202156 WQLMVCNPSFWSJH-UHFFFAOYSA-N 433.309 0.701 30 20 ICED CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 744459733 AXQLGVCBNOFUTE-MRXNPFEDSA-N 437.474 0.958 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746572269 KYNHHOCIPJGMFP-CQSZACIVSA-N 431.470 0.691 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 749313948 WUJVZJYOKYBFKU-OAHLLOKOSA-N 430.527 0.951 30 20 ICED C#CCNC(=O)CN1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 750825852 MESRAWTWKSVOHK-UHFFFAOYSA-N 428.352 0.590 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1C 754511876 PLFFXRPEZPIEFM-JOJWKMGHSA-N 435.550 0.991 30 20 ICED CN(C)S(=O)(=O)Cc1noc(CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 761877616 DGWJVTSZASDSPP-UHFFFAOYSA-N 441.535 0.913 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CCOC 769884796 BVCSZQBICVRHTO-UHFFFAOYSA-N 437.525 0.731 30 20 ICED COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)c(O)c1 771566415 IMKCDNSSAFPNHN-KRWDZBQOSA-N 433.442 0.470 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(c3nnc4n3CCCC4)CC2)c1=O 774633872 ZYSSBFRDGMPYHX-UHFFFAOYSA-N 427.509 0.309 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 775550705 LUBZGYREVJQQDG-NRFANRHFSA-N 439.476 0.730 30 20 ICED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCC1 777364777 HSZOVMYYVUQPDA-AWEZNQCLSA-N 430.527 0.792 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)NN2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] 779546533 DNUMZTCFMSMXIZ-UHFFFAOYSA-N 427.377 0.919 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 783482015 TXHZTCPYZZYKRB-MRXNPFEDSA-N 430.486 0.527 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CC1 784920619 FIQHPFWWHCKARM-UHFFFAOYSA-N 434.518 0.336 30 20 ICED C[C@@H](OC(=O)C1(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)CC1)C(=O)NC1(C#N)CCC1 785334342 AGCJTHKSBIQWRO-ZIAGYGMSSA-N 430.461 0.755 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)CC2)c1C#N 786738354 JQOZYMRKWSZQJS-UHFFFAOYSA-N 433.513 0.280 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787759979 QOWYVCSMVYYGBS-SFHVURJKSA-N 431.456 0.665 30 20 ICED CN(C[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1)S(C)(=O)=O 795652513 KGILMNXNIYQOCJ-OXQOHEQNSA-N 433.534 0.886 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 798064334 WIDGITCWIIYUOR-UHFFFAOYSA-N 430.486 0.209 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)CCc1ccccc1 800348175 BZIULVDZQMTZKA-UHFFFAOYSA-N 435.527 0.499 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](CCC(N)=O)C2)[nH]c(N2CCC[C@H](CCC(N)=O)C2)n1 804425127 SGNTUJHAMJEUAF-CALCHBBNSA-N 442.568 0.302 30 20 ICED C#CCN=c1nc(N2CC[C@H](c3nccn3C)C2)[nH]c(N2CC[C@H](c3nccn3C)C2)n1 804578827 KXIPFKAVBQLOTR-IRXDYDNUSA-N 432.536 0.793 30 20 ICED CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H]1CCN(CC(F)(F)F)C1=O 810396643 CULXFXHFFHINDH-CYBMUJFWSA-N 435.366 0.699 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 810462808 YPFVVSCJKPGEHQ-JYMIEJHZSA-N 444.517 0.835 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278724 IGOJUZDTVYUTLN-LBPRGKRZSA-N 432.452 0.713 30 20 ICED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839012936 IJDPISUAZDTXQW-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)ccc1F 914470367 DOPOUUPCIZFJLD-HNNXBMFYSA-N 448.538 0.956 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2(C#N)CCOCC2)c1 1306908185 LTMBDYGMSQBSPD-UHFFFAOYSA-N 436.534 0.824 30 20 ICED CS(=O)(=O)C[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](CS(C)(=O)=O)C3)n2)C1 1324330126 HNYRLRKAPHMLCI-HUUCEWRRSA-N 426.564 0.695 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1463729851 NMQYWHLREIRKKJ-HNNXBMFYSA-N 430.552 0.800 30 20 ICED CCOC(=O)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)COC1 1472233709 XFDWUAOCJZFGLY-UHFFFAOYSA-N 435.502 0.797 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617342736 XMJASRGOEHYINO-HNNXBMFYSA-N 447.569 0.635 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1635116925 POSDWQRWWARCTI-GFCCVEGCSA-N 431.474 0.529 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1692664497 ODGSPCNSIPXTDC-JKSUJKDBSA-N 439.586 0.834 30 20 ICED CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 1696201060 WXDRDDDVEGZFQS-WUZYXKQASA-N 440.504 0.698 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1698494726 YMFYMFIQGRJVLZ-WBVHZDCISA-N 444.517 0.822 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)n1 1707831746 KRFWXYSUUURUEH-UHFFFAOYSA-N 448.535 0.821 30 20 ICED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1729620082 LCBRRXJDHHMIAK-CQSZACIVSA-N 433.538 0.526 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccn1C(F)F 1761502370 YRWPGHYLCQCCOP-GHMZBOCLSA-N 430.441 0.257 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)CCO1 1771539160 OYZMKAOIQONTCO-QGZVFWFLSA-N 429.525 0.922 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160731 QCTACAZDMCLABC-MJWAHQGTSA-N 438.481 0.188 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779073206 MYNNFDHOAGFMGT-KNQAVFIVSA-N 443.456 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779100525 BFMQFXYGUJPBFV-AIQWMZONSA-N 442.476 0.702 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1781188059 PCKJTRXYKCRBMZ-BTYIYWSLSA-N 437.493 0.296 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2ccccc2=O)CCO3)ccc1F 1781298554 KXZNFVUQEDOYPW-HSZRJFAPSA-N 438.459 0.932 30 20 ICED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560449 CHIYQXSHAPQTPL-OXQOHEQNSA-N 431.449 0.574 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782316615 POGCGFZOPFMJPT-GCKMJXCFSA-N 434.493 0.226 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783437748 KZIFHELVWHPDGU-UFYCRDLUSA-N 441.532 0.742 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783677630 WUMRLHCCEJJCLT-JONQDZQNSA-N 438.525 0.401 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783994321 LLOROJVPBHONCD-XSLAGTTESA-N 437.537 0.655 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1)C(F)(F)F 1784524612 RLKFYKJOXQMMBQ-PYJNHQTQSA-N 426.457 0.765 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786840929 QYESORPFSLUUQO-WDSOQIARSA-N 443.935 0.511 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1789958784 UZRRRFMGUWWWDO-UGUYLWEFSA-N 435.481 0.342 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)cc1 1792426030 HYACBMFNNFDPEW-UPHUGPLXSA-N 431.514 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1793340137 MAROMABSEDNZGK-JCECYMMASA-N 435.521 0.624 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1793357949 HGNAEGRQJKHUJS-BMFAXAFESA-N 432.521 0.468 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1793386678 PMCYWBLDECJSJY-WTLGNFPFSA-N 435.594 0.876 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794225373 UOJVWLBTZOFPKH-RHXPEOCHSA-N 443.504 0.979 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cocn1 1794939460 VJXDYCHBPDOKOS-JYYAWHABSA-N 432.477 0.794 30 20 ICED 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)c1ccc(OC)cc1)C2 1797704109 KGLHOSVYFBCWPD-LHDHZVESSA-N 432.517 0.891 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1797818610 VQPZGQBBUKCSOJ-ZOPGZDAYSA-N 445.520 0.633 30 20 ICED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)no1 1798861878 XABNUHLYQLXISF-XEMDLRDOSA-N 437.456 0.488 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1799304304 BSRXWRVWSYYERN-PTEHBNRSSA-N 445.398 0.536 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12 1800877038 UVSSZFBSFMFOCC-LJPSSGMGSA-N 440.460 0.751 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801349109 JUZUQGDQRKCZPQ-FAQVEIGNSA-N 437.456 0.396 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732545 XYLBSPNHZCQQKU-ACDBMABISA-N 433.936 0.616 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)C(C)(C)O 1804435775 MGCCSIFOLSEVFY-UMPJEAMMSA-N 437.493 0.377 30 20 ICED N#CCC(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807737372 KSUSYPKXIWIACK-FZKQIMNGSA-N 428.474 0.466 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#Cc3ccccc3)sc2C1 1814012594 UQPMJPNXQZTUIB-CABCVRRESA-N 425.514 0.700 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814323581 HPZHPXFCVWCHCD-RDSFJTRPSA-N 444.535 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)C=C)sc2C1 1820134238 JNHLFDJPZRPDKC-GFUJYOBASA-N 431.518 0.604 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(c2)CCNCC3)[nH]n1 1822205304 ICTGMZJWJYIXRY-SFHVURJKSA-N 436.472 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1823745459 HUTXKSMCFFDOFB-TUYSUELWSA-N 445.520 0.016 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3ccnn3)sc2C1 1824676651 HGDNSZSZEJUBRL-FAVCKAPTSA-N 429.506 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](NC)C(=O)O)CC1 1826940514 VTFMDCZWDCCQFD-BTFXCVNISA-N 434.537 0.527 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(C)c3)C2)C1 1829764906 YXAAKYIZWXSYBK-XSAUMEDDSA-N 428.489 0.318 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1830046106 CKJSFSNUBJPQAT-QFIPXVFZSA-N 443.504 0.208 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1831221227 INEWTNFJQKNCFC-XUZZJYLKSA-N 436.512 0.622 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccccn34)C2)C1 1831393357 XIQYHSVZPRHVBN-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1831426964 NFOCOVBXLMHMHD-LAUBAEHRSA-N 436.509 0.191 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)nc2s1 1832109701 ACOMYYJYYDADSV-KPZWWZAWSA-N 439.563 0.416 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1832454444 OEFQHILSWRLOHM-IBGZPJMESA-N 440.497 0.772 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1832461240 RQGLMJBCUJDNKQ-HXUWFJFHSA-N 443.566 0.887 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832522151 SDQWGXMIBGFPGP-VVVXBWJPSA-N 447.532 0.954 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3OC)CC2)CC1 1833463783 ZHBILBWIUIQYGH-MRXNPFEDSA-N 429.521 0.709 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1833475734 KEOITZAFCJTAEC-AWEZNQCLSA-N 433.509 0.664 30 20 ICED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)cc1 1834678207 PELMWAZLZBXFCB-UHFFFAOYSA-N 425.537 0.421 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(F)(F)F 1835682726 SICGNKKHDGAZOS-SFHVURJKSA-N 432.443 0.843 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988988 CSAMMFIUHTVMDZ-PGRDOPGGSA-N 434.537 0.382 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)c2c1 1836924346 BERCUAJJKXJSHQ-QFIPXVFZSA-N 441.440 0.335 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1837310873 ZFIZKLMSQAOCRS-XQBPLPMBSA-N 437.537 0.362 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n(C)n1 1838737881 CWLLPXPBBOXWON-OAQYLSRUSA-N 426.477 0.566 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970237 FHYFNXDIGCSFGI-ZZAWEDPDSA-N 430.505 0.934 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1839176126 XMWIBFYREORXPK-AVRDEDQJSA-N 448.520 0.718 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423548 JNJZOOZTVQPAAI-FQEVSTJZSA-N 434.880 0.370 30 20 ICED COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839485979 GKUFTXYDWOWPCJ-QFIPXVFZSA-N 441.488 0.931 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670764 ZWBBASZTQLWKCB-NRFANRHFSA-N 432.477 0.211 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839779513 AZXJHALMDPAXMP-GHTZIAJQSA-N 440.562 0.788 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1839806432 OIGBHIKIYQQVLP-OAQYLSRUSA-N 426.429 0.639 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1839886513 DWXVKJVQJHIXOF-QGZVFWFLSA-N 436.477 0.560 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840171814 AKSGJVZOUSABGG-JOCHJYFZSA-N 430.505 0.564 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)CCC1 1840812566 XMSNIGDSEFYCDA-QFIPXVFZSA-N 432.521 0.539 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840841462 ALYFUUNNQWCCSY-QFIPXVFZSA-N 448.541 0.502 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc(F)c(C#N)c3)C2)c(=O)nc1O 1845204222 UPCRUBCHBVWONE-UHFFFAOYSA-N 439.447 0.714 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847512796 WPHPASCQIWKBAH-KVDYJNEHSA-N 437.541 0.546 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 60628848 JCWYWZVUJXHYQM-UHFFFAOYSA-N 431.474 0.943 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C1 409545594 ZIFLOMQTHTTZKR-IKGGRYGDSA-N 448.615 0.445 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 410137944 ZDSXXOCOFMTQMS-OAHLLOKOSA-N 429.568 0.049 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CCC2)c1=O 431018771 JCAKHCNCHUPSPB-OAHLLOKOSA-N 427.530 0.475 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)OC)c3ncccc23)C1=O 440270420 JVHKMWQOENUOCM-MRXNPFEDSA-N 440.456 0.970 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCOCC1 441437123 GXFPGTIJMXUDHK-INIZCTEOSA-N 425.449 0.077 30 20 ICED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447447395 CXNRHBCRQUUMAZ-CABCVRRESA-N 445.451 0.694 30 20 ICED COC(=O)c1cccc(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460710178 RFDYEXIFQAGQSK-UHFFFAOYSA-N 432.440 1.531 30 20 ICED C=CCN(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)[C@@H](C)c1cccc(-n2cnnn2)c1 465119643 IDJMNUFZPSFLBT-HNNXBMFYSA-N 448.487 0.790 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN(CC#N)CC3)CC2)cc1 465136623 BPFROIHYIFLUOF-UHFFFAOYSA-N 447.561 0.276 30 20 ICED CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471171792 BIAGYGVJVNAREK-SFHVURJKSA-N 433.534 0.974 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)c3c(O)nc(=O)n(CC(C)C)c3N)CC2)c1C#N 472164676 VDSPFTWKFGVIEF-UHFFFAOYSA-N 428.497 0.106 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O 478861444 VFFMYHRECAUXHJ-UHFFFAOYSA-N 448.570 0.362 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccon1 480955028 RBXHXYWCMBRTFH-UHFFFAOYSA-N 442.472 0.659 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 494402273 CEMJUHVUVHMOHD-UHFFFAOYSA-N 425.536 0.064 30 20 ICED COCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 497719991 LFDOQYOVIIBDQA-UHFFFAOYSA-N 449.514 0.633 30 20 ICED N#Cc1ccc(C2=CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 502496155 RDNZXVJCGZDABU-NRFANRHFSA-N 428.558 0.979 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)n1 503059501 HALCRRVPHSVTEC-UHFFFAOYSA-N 430.899 0.545 30 20 ICED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 503273536 DAOPNCNKKBOSBU-UHFFFAOYSA-N 437.412 0.966 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513289575 PYRMGECGGDGRNB-IUODEOHRSA-N 448.480 0.656 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@]12C(=O)Nc1ccccc12 513660203 KMWHUHJCSUOCHC-MWTRTKDXSA-N 433.468 0.909 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 518956909 OJSWHMAYRBSXMR-QGZVFWFLSA-N 443.547 0.078 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 520085579 VCLOUNHUQZLOMI-UHFFFAOYSA-N 440.481 0.965 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 523999634 MFYGGTUFOMICPG-UHFFFAOYSA-N 448.501 0.074 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)CC)CC2)cc1 543572853 MLTYZKIZYWQEAV-UHFFFAOYSA-N 436.534 0.719 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCOC1 543868819 BHBVVPHKXDSFDD-GFCCVEGCSA-N 446.510 0.721 30 20 ICED COCCOc1ccc(C#N)cc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 544085605 SRFKRNMNSFWTJY-UHFFFAOYSA-N 429.477 0.977 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 556389700 CLLVMDDSVBINIF-QGZVFWFLSA-N 446.467 0.446 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 573607973 XGWSAVABDLMCNA-UHFFFAOYSA-N 428.492 0.925 30 20 ICED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 588008898 BXKNXWGDQWVJDZ-KBPBESRZSA-N 426.420 0.804 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)c1 603574784 YOPKLBZFYFRGJK-UHFFFAOYSA-N 431.474 0.530 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CC1 603998469 SAACYEGBENMPJV-UHFFFAOYSA-N 427.482 0.629 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 674292992 ZENXVKHFIULORV-XJKSGUPXSA-N 428.468 0.259 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 728533061 UCFHPGFURYKYKB-UHFFFAOYSA-N 426.376 0.712 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOc3ccccc3)CC2)c1=O 732461648 XBJXFDJEHMPSGG-UHFFFAOYSA-N 427.505 0.198 30 20 ICED CN1CCC(N2CC[C@H](N(C)C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732559579 OWOXKDACKAAQOO-KRWDZBQOSA-N 433.578 0.742 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 732893774 FNVUYIOSRUVMBQ-UHFFFAOYSA-N 433.530 0.936 30 20 ICED CCn1c(S)nc2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2c1=O 732910206 LIOMVDXOHMQZQS-CYBMUJFWSA-N 434.499 0.285 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)c1 734702262 RBQJUQOLCOVSNU-JLPGSUDCSA-N 449.533 0.600 30 20 ICED CN1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 737264370 ZYLQCRWTDCPCPK-NKFKGCMQSA-N 435.550 0.896 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1C 743735967 ROXCEFBSXKVVAN-UHFFFAOYSA-N 446.533 0.868 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 745306947 DOERDEZYOSCUAM-ZDUSSCGKSA-N 436.490 0.791 30 20 ICED CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 748984182 VMPZFDJXSKFONN-QIIGAIICSA-N 435.506 0.175 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1C#N 752378465 MLIXGSJBYPQBFZ-UHFFFAOYSA-N 425.467 0.463 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 755552338 NAMWHIQJFHJWCE-XHDPSFHLSA-N 441.444 0.726 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 758055403 OHLPIJGHEGIJCV-ZDUSSCGKSA-N 435.505 0.657 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758078658 QZPJKKXCAQZUCQ-UHFFFAOYSA-N 432.505 0.985 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O 760795642 QQLRCIRASGKAHU-UHFFFAOYSA-N 430.490 0.514 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767889481 XAHIGHLHVVKJAK-UHFFFAOYSA-N 445.526 0.448 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 770166063 CROJDNGSNUMATJ-CQSZACIVSA-N 427.442 0.114 30 20 ICED Cc1c(C#N)cccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 770290061 LGEWMEQXEOGDNX-HNNXBMFYSA-N 426.520 0.533 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 773349438 MPQURPYPMQDVNG-UHFFFAOYSA-N 436.472 0.282 30 20 ICED COC(=O)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 777177167 SDUZTPZCSHJUEQ-PXLXIMEGSA-N 436.490 0.507 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCOC 777941375 PZVHZZPHGVTHEM-UHFFFAOYSA-N 433.505 0.660 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)nn1-c1cccc(C#N)c1 780195359 PTRJHRDLYPCRBF-UHFFFAOYSA-N 438.488 0.442 30 20 ICED COC[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)OC 781540526 JWPKMDQUCRGRMA-IKBYJFNHSA-N 426.495 0.216 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 783012741 IHJUTRDTSPXKHG-UHFFFAOYSA-N 446.507 0.212 30 20 ICED CC[C@@H](C)[C@H](OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 796004510 WPJRFXZJGMFQBH-BEFAXECRSA-N 437.518 0.995 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)c1 802632817 FSFBTGNWBGGNEJ-ISPGYRLHSA-N 426.470 0.371 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)C2=O)cc1 808174109 IYXAHPAWHHJBSW-ZWKOTPCHSA-N 426.473 0.924 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 913151348 BSRYCUHSKMNQQV-UHFFFAOYSA-N 448.508 0.396 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)cc2S1(=O)=O 917418586 MRVOEIAUWBQCCT-UHFFFAOYSA-N 449.466 0.468 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)CN3CCCC3=O)CC2)cc1 1116318888 BALJQAKEXIMBFZ-KRWDZBQOSA-N 434.518 0.058 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1288520542 UWFUQYSLFJYYKQ-CYBMUJFWSA-N 429.506 0.975 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cncn1 1292125190 KIEBQJJHIBQTAG-QGZVFWFLSA-N 426.529 0.665 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCCCC1=O 1303405229 MKKHXLBVOSSSRZ-GOSISDBHSA-N 442.568 0.995 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1513032131 ZODPKDWTTWRNHE-WBVHZDCISA-N 436.582 0.908 30 20 ICED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1548042119 OTXSHRSEUVVKOR-UHFFFAOYSA-N 440.504 0.937 30 20 ICED N#CCC1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1620357688 MBWXTYPVXOLJLB-FQEVSTJZSA-N 430.534 0.944 30 20 ICED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1683565438 MWOXXFBVOZHKSF-CYBMUJFWSA-N 434.478 0.672 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccn1C(F)F 1692787888 YJYVYPNMQGJMLO-ZUZCIYMTSA-N 432.432 0.970 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1722862713 LCOAEAJKQYYJKX-ZDUSSCGKSA-N 440.551 0.494 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1728601706 IKKMKFXHUHFFPB-ROUUACIJSA-N 438.584 0.989 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1741802672 KHOSGKLJGCFAIS-INMHGKMJSA-N 439.586 0.832 30 20 ICED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1764215937 ODAJNEFILYSZDE-ARFHVFGLSA-N 425.559 0.491 30 20 ICED N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccccn1 1779064225 BPTLTXQYHYJYHO-NFBKMPQASA-N 426.517 0.610 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779202538 VGJVLSDQNNXIRL-YGOAVPTMSA-N 445.476 0.379 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1779420226 QOOSBMGEOSMLFJ-RFMIRXIXSA-N 447.492 0.839 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781172844 YLTLNQOEIXAVGU-GCJKJVERSA-N 443.504 0.386 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CCN1 1782270257 NXBRFXIQZFUDER-UHKKGJDBSA-N 433.553 0.498 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317351 INKHCJDAFYSHAT-AUUYWEPGSA-N 425.432 0.637 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783542782 VVWWGRCDFHRJRF-KVOAMPFWSA-N 437.496 0.765 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783896511 AOJKKCJQJWDBQK-LDNFRZNASA-N 443.566 0.505 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1784483347 RIBYEFRCGDIGKE-OHFALNGGSA-N 429.452 0.500 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784485938 MESUNECVOCYHOV-VGSWGCGISA-N 429.521 0.961 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1785016046 GQWXLVVLRZTIJD-XIRDDKMYSA-N 445.545 0.844 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(N5C(=O)C=CC5=O)cc4)C3)C2)CC1 1785221256 BVHWBDTULXASJJ-HSZRJFAPSA-N 434.452 0.863 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1785577191 LBXDNEKZDZOMAQ-DVSDUFGPSA-N 435.521 0.504 30 20 ICED N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccnc1 1786929238 DWQQEKPKGPZXOI-URIOXPOFSA-N 442.564 0.923 30 20 ICED O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787437307 ZRCUEWSMIHJDSS-KIPUMGIDSA-N 447.435 0.605 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cnn1C 1788656230 LIZOWGXTNYHGPJ-FQMKSTKOSA-N 433.509 0.851 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)[C@H]3C2)c1 1789771482 YBUCSVXHPCEDTC-NSOKGPEJSA-N 439.516 0.881 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1791261544 OUGHVDXFDNTNLJ-WSMBLCCSSA-N 430.530 0.845 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CSC)NC(=O)OC(C)(C)C)[C@H]2C1 1792115597 PHABHAZWBDIHNR-VGWMRTNUSA-N 425.551 0.856 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccccc3)[C@H]2C1 1792117740 FDLUBXKEYAASSP-VMXMFDLUSA-N 441.528 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1C)C2 1792491492 ZEBXQESSDDATDQ-MZNTUGIBSA-N 429.521 0.420 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1792837393 MUNOMRUVNQYGLH-UPHUGPLXSA-N 427.892 0.963 30 20 ICED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nc1 1794460688 YHDGIZRZUUMRHU-YGIWGEJLSA-N 445.520 0.880 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)c(C(F)(F)F)n1 1795995263 XYBZKNDWNHHRHW-DRXBFXEBSA-N 449.393 0.467 30 20 ICED 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)N(C3CCCC3)C1)C2 1797707205 ZYUITXOHMKLXPX-VAVQPMOSSA-N 447.576 0.940 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1797783710 AXQYQAXLMVTNHH-FAQVEIGNSA-N 442.516 0.403 30 20 ICED COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797836029 VTVWLXIFZJMAFM-GXKLVIIXSA-N 431.489 0.877 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C3)c(C#N)c1 1799239421 FJTQQCRPCNUXSS-SALMDCRWSA-N 428.489 0.224 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800545508 LANLOSWIIKQXSY-FVCICTRLSA-N 433.415 0.504 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)c(F)c1 1801901056 XIKJWUFFVUCJMH-OSQPQIOTSA-N 431.464 0.380 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1801994496 MWUJUQJUSZKBHK-WQDJSCAQSA-N 447.513 0.104 30 20 ICED 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 1804373425 CGZFLCFNAOGVRW-BQJWPVKWSA-N 449.552 0.134 30 20 ICED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1806944563 OCRIULMCBAFTGY-JOUGLMFHSA-N 431.493 0.705 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807192027 MSJVJIFQTQEHDH-MIZPHKNDSA-N 433.512 0.732 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558244 BNRLHLBZVJQSHL-XCLNPWKQSA-N 432.521 0.830 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812524109 DAEICFVFYBZNDV-LNLFQRSKSA-N 430.505 0.996 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(n3)OCCO4)sc2C1 1816959012 IILOTJPJARFAJH-SNVBAGLBSA-N 428.426 0.623 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)ON=C(C)C)sc2C1 1823086230 ZIAZNCYVGZLPLD-OHUAYANFSA-N 441.510 0.921 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nn[nH]c1C(F)(F)F)CC2 1825669981 XZKDSPDMSRGKAE-LURJTMIESA-N 428.352 0.594 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C(C)C)n3)C2)C1 1829764737 UGJNNBXAZJLHPF-LXHZQTKUSA-N 446.504 0.726 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1829783403 JSLPOPWKCLUACP-PGRDOPGGSA-N 439.553 0.086 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1831402202 QLHUCUDGPCZQHU-JPYJTQIMSA-N 430.501 0.732 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1832453085 PEZASXGACHGGNP-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833199492 BLTBJEWKFHWFFB-IERDGZPVSA-N 426.477 0.489 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c1 1833836941 XYMQFJATOLLCDE-OAQYLSRUSA-N 441.419 0.577 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835072453 PQMZTRBVPHIHLQ-CQSZACIVSA-N 448.524 0.874 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674735 FQROLBAJWBEQOP-QFIPXVFZSA-N 447.536 0.572 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835680673 JJDACFOCUQVZOS-NRFANRHFSA-N 433.509 0.264 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)[C@@H](O)C=C)CC2)CC1 1835830827 QTGSWUFOPNXFHR-LPHOPBHVSA-N 434.581 0.822 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836107706 ZFYGMFWFSZZWKF-KRWDZBQOSA-N 428.533 0.609 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047359 XLSBIWLVWJMHOT-UHFFFAOYSA-N 442.463 0.748 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837238303 IMHWBINQVJZBKS-RCRUUEGKSA-N 432.542 0.653 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837277920 BUEWXWVBZFZHDA-ZZAJSIFASA-N 425.595 0.737 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1837398520 CSFPQJWAWBTZOT-IIBYNOLFSA-N 434.493 0.128 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837485970 RNSFMLFYHFGORA-PGRDOPGGSA-N 429.521 0.927 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618734 VIEFWRVUFSOGAV-LJQANCHMSA-N 432.868 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1839173678 FVZLMXRDVIYUNT-NRFANRHFSA-N 432.477 0.364 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839175009 ITCKBUSYIDHZCH-OAQYLSRUSA-N 434.493 0.226 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cocn4)C3)C2)ccc1F 1839186371 PMPXXYCCIBHLBL-NRFANRHFSA-N 428.420 0.998 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223546 ZIKOZNKLKGCJLB-FOIQADDNSA-N 435.481 0.356 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1839451279 KHEKTZSDZVEAGI-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839847019 POOQHXIRSOIVBL-KUHUBIRLSA-N 441.575 0.515 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1840162471 YHDSAHYRUPHLJO-RNODOKPDSA-N 434.518 0.960 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840550295 NVOBTDYEXFNJIL-HXUWFJFHSA-N 435.502 0.063 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1841746430 KGQANRRQKYSDBK-GJZGRUSLSA-N 438.525 0.722 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)cc(C(F)(F)F)c1 1845512736 FOJSSIMUZCASEV-UHFFFAOYSA-N 449.389 0.946 30 20 ICED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1847747314 OMGYGVIAEHMCBV-ROUUACIJSA-N 434.500 0.795 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847809200 ANCQHCMJZTVVDX-NEWSRXKRSA-N 441.532 0.814 30 20 ICED C=CCn1cnnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 19316311 LWMKISCAUIABPZ-UHFFFAOYSA-N 437.547 0.894 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 64572869 KSTSQEUYXKFXHF-UHFFFAOYSA-N 434.543 0.973 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCO1 409582934 BIVLZKJXBSMSAC-INIZCTEOSA-N 427.958 0.911 30 20 ICED C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]([C@@H](C)O)C1 443334099 LPCHISPRIZAKNW-LMMKCTJWSA-N 434.562 0.872 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 460580048 JLYLOYQSSRHMRF-UHFFFAOYSA-N 435.419 1.071 30 20 ICED CCO[C@H]1C[C@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 475383294 MAHPXLXHZMGVCL-KKSFZXQISA-N 426.477 0.819 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1Cc1ccon1 480949321 BNAMXZQWEJCBMZ-UHFFFAOYSA-N 436.493 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 482509000 LHIUXZWJKVRNSK-HXPMCKFVSA-N 433.490 0.062 30 20 ICED COc1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 490975272 UVQIYDLUSCFQFR-HNNXBMFYSA-N 431.474 0.972 30 20 ICED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 506911592 LPSNVVWKLJTKAP-UHFFFAOYSA-N 433.490 0.579 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 507968472 CBQJTXJZPLNHRP-SPLOXXLWSA-N 443.460 0.501 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 508988728 UGQACHOOCVHHEP-UHFFFAOYSA-N 441.897 0.209 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513758601 DZYJNCWRWIZHCX-GFCCVEGCSA-N 434.453 0.362 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514022800 QNECWMZVFFPHHV-OPAMFIHVSA-N 438.488 0.122 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cn1 514743200 UUHZLEFYWSYYPA-KSSFIOAISA-N 429.502 0.950 30 20 ICED CCc1nc(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)no1 521135074 ZOJZKLSQNGEVCD-UHFFFAOYSA-N 432.506 0.700 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 523744014 ZXUIKGIWWMGGKP-UHFFFAOYSA-N 447.944 0.962 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537159833 NTLJKOGUBWFAAK-INIZCTEOSA-N 425.580 0.424 30 20 ICED CC(C)N1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)C1 555771944 LHONQEIFGNDKJH-FQEVSTJZSA-N 425.533 0.701 30 20 ICED N#Cc1c(NC(=O)CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)sc2c1CCCCC2 555873946 OIGIKMJLKYCTBB-LBPRGKRZSA-N 439.519 0.426 30 20 ICED CC(C)NS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 559762506 AUAMVGFRXCDJRF-UHFFFAOYSA-N 431.522 0.543 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 567773199 ICAPFJNQHHZILY-ZFWWWQNUSA-N 427.431 0.831 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)CN(C)C)CC2)c1C#N 578211751 FMRDGBYCFNFHLY-IBGZPJMESA-N 437.548 0.538 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589161228 RONXPDOCGPDXNG-UHFFFAOYSA-N 449.554 0.196 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1 603781755 SGTAPCCNVAIZCJ-UHFFFAOYSA-N 444.488 0.889 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(F)c1 610056906 PJPCDDKQZSWPRW-UHFFFAOYSA-N 438.462 0.619 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cn2)c1 615108106 DPQKYIUIPGCCOQ-UHFFFAOYSA-N 439.472 0.837 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 727012565 JHOUVOKTCGUQNZ-UHFFFAOYSA-N 438.396 0.951 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 732419315 LOSVLJXVGJSLCR-VXPUYCOJSA-N 427.461 0.736 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCOCC 732510479 ZVXSIZQGRUSASD-AWEZNQCLSA-N 431.536 0.766 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795457 ILANACWXKDMNLE-UHFFFAOYSA-N 429.546 0.895 30 20 ICED N#C[C@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCS(=O)(=O)CC1 732908566 OSDLCJYUUCMMCA-GFCCVEGCSA-N 425.850 0.604 30 20 ICED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 739157897 YZXNZRIVOUDGHC-CYBMUJFWSA-N 449.423 0.673 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 744032854 OZOVZZPDUCJGKT-RFKJWAKASA-N 441.440 0.904 30 20 ICED Cn1cc(N2CCC[C@@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)cn1 744573068 XIEQWHRMUYIXGR-QGZVFWFLSA-N 431.474 0.964 30 20 ICED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 746779555 JHNSXQIFAVLQDI-OAHLLOKOSA-N 432.502 0.811 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755547697 AYMMVVPVTVPYPU-WCQYABFASA-N 434.453 0.411 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccn1 755548714 QRNYQTAULRAJMR-IUODEOHRSA-N 430.465 0.597 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758588441 GQNFGIKOZXNLHP-UHFFFAOYSA-N 439.541 0.509 30 20 ICED CC1(C)C(=O)N(C[C@](C)(O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc21 760323644 SDOPUYJCQQDUOO-ZJIOXEHGSA-N 426.473 0.704 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 766796288 LDZFWPDDISWFAN-UHFFFAOYSA-N 432.481 0.713 30 20 ICED CCn1cc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1C 770209108 UTYHNPMZVFJIFN-NSHDSACASA-N 439.519 0.534 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1=O 782990997 LZBVTULOEDZGRU-HXUWFJFHSA-N 438.375 0.956 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 783474786 JHNDXINXXOKPKJ-BXWFABGCSA-N 433.530 0.888 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 787776295 HEPNLFIWYFHDPK-XLIONFOSSA-N 436.516 0.887 30 20 ICED COC(=O)[C@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(C#N)cc1 789121092 XASCKVKFEDDGFO-QRWLVFNGSA-N 429.429 0.931 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)CC1 789543237 ATCVIKYWPFPVSB-UHFFFAOYSA-N 434.456 0.875 30 20 ICED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 805062781 PSNFAWDYPGNKQO-HOCLYGCPSA-N 437.541 0.967 30 20 ICED CCN1CCO[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 805479339 NOYIYGYUUCFQCL-KRWDZBQOSA-N 443.460 0.719 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 888560903 FKIWGNBMOFZCBJ-CYBMUJFWSA-N 448.501 0.791 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1F 914463952 NBJDUUOPUAOMRU-MRXNPFEDSA-N 425.482 0.753 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1cccc(C#N)c1 916809542 CZKFTCNJSUGKPS-UHFFFAOYSA-N 438.487 0.036 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCCC3)cc2)CC1 919664870 MGOMFERJUUHDNK-GOSISDBHSA-N 432.502 0.484 30 20 ICED C[C@H](CC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1140896213 OTSYOOIIJXMFPK-AUUYWEPGSA-N 439.559 0.931 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1299302761 XXHJPEIZBWDIBS-CYBMUJFWSA-N 440.551 0.235 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1503834346 ZKCQYHATCVCFID-AWEZNQCLSA-N 436.494 0.240 30 20 ICED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1612212619 MYMRASCRGUDKPO-HOTGVXAUSA-N 431.522 0.659 30 20 ICED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696046916 JMDWGWUAQKCFJQ-HXUWFJFHSA-N 428.497 0.823 30 20 ICED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1696942641 MNLVPGIRUSJLOO-MRXNPFEDSA-N 431.522 0.328 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1728817356 LRXUZHGABQUGDY-BBTUJRGHSA-N 434.541 0.627 30 20 ICED CC[S@@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1766750312 KIRDERHRZLZLDI-AUMHUTNHSA-N 444.565 0.949 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779099499 HTUSWZYOSAYEGX-UZBYXMDDSA-N 446.504 0.992 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3ncnn3c2)C1 1779166630 ALWIOUHGUJEBFQ-RADWXHQJSA-N 425.489 0.895 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020356 XRUKNGBNGUMEKR-AOMKIAJQSA-N 443.504 0.348 30 20 ICED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191980 NWUTWRQIGABXOR-SFHVURJKSA-N 425.894 0.700 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1CCN(C)CC1 1781094916 ZIVUVUXQPZHZGA-ZOFPFIKPSA-N 431.537 0.164 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(NC(C)=O)c1)CCO2 1781269174 CFPBBDHFXPINKB-QFIPXVFZSA-N 444.488 0.993 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2)C(F)(F)F 1783203034 RNTQPDVNTOWQIN-QGZVFWFLSA-N 425.367 0.997 30 20 ICED CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)CC1 1783653663 KOXPWMZWTBZHBC-UFYCRDLUSA-N 433.597 0.980 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1784504416 QAPWOPGOHKURIL-JIFZMYKYSA-N 433.549 0.958 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1785228866 HOAQWBRAQKKQJR-XIKOKIGWSA-N 430.523 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786857897 IQPREOHCSDJUNS-BPUTZDHNSA-N 431.493 0.368 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787489504 LCMCNDOJHZBULZ-QAETUUGQSA-N 434.493 0.882 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788434248 DBRDXTYLIDFVNQ-USJZOSNVSA-N 439.468 0.453 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)nc5cccnn45)C[C@@H]32)c1 1789345641 NSEBODBPBFXXBW-MPGHIAIKSA-N 447.455 0.196 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21)C(F)(F)F 1790883226 OPUALXOFBNVPBI-YDHLFZDLSA-N 444.410 0.811 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1791263625 HSCCDIYVYZJZPJ-DHMWGJHJSA-N 438.575 0.190 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)O2)C1 1792527318 DOPMDUMUIJRCFE-DFGXFYAUSA-N 448.520 0.658 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1793340001 FFYPJRBAUVWMOX-VXZGMJFKSA-N 439.512 0.487 30 20 ICED NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1796341608 JLEJIQNCHQNSGP-BJESRGMDSA-N 432.524 0.576 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1 1796530703 SDLIYMFIDTUCRZ-YYIAUSFCSA-N 432.477 0.794 30 20 ICED 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=CC[C@H]1C(=O)OC)C2 1797709802 MPWJJPLVHKHWRH-WXJALIKYSA-N 434.533 0.905 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1797969208 VAKCLAUAPFKORW-CARQKBIPSA-N 442.516 0.668 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)n(-c2cccc(=O)n2C)n1 1800986192 ZQVMAAMFZQQZEH-BKEDOTJMSA-N 445.545 0.401 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803564945 LYVCXLWMXWSMOB-QGPMSJSTSA-N 440.437 0.403 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)O1 1803645646 HOZGQNJHFOYAOI-XRISMHAYSA-N 428.493 0.668 30 20 ICED NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1808261752 OCTPLEHPKCSRPR-KODQRZTDSA-N 427.530 0.874 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC3CC3)n[nH]2)CC1 1815117945 GCADPMMQPXPFSB-LJQANCHMSA-N 426.521 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](CC)NC(N)=O)sc2C1 1817011071 ZQXJQIUPCDXNLP-WZIXFXTNSA-N 434.522 0.360 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819907237 NKSBJLLMZHDIFX-DNZZUKGRSA-N 435.506 0.720 30 20 ICED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1820974007 SQJMTHFBASEECQ-JSGCOSHPSA-N 436.469 0.746 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)CC1 1828800961 KAGSOODMYSESLY-KMDWOBIYSA-N 443.552 0.798 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1829267479 QFKNCDCRMPDXPQ-HSZRJFAPSA-N 440.500 0.598 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)ccn3C)C2)C1 1829768615 CECMVXBKYZUKPZ-LXHZQTKUSA-N 430.505 0.262 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1829769499 WRBAOZNNCGMCEV-QJKPHDSHSA-N 449.454 0.893 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1829773731 RZMYVSFDQMPPSA-LRJKKDHCSA-N 437.562 0.444 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829901416 AEUOAWVNWNQNRW-JOCHJYFZSA-N 439.472 0.491 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830176971 PYRQXJHGSPOPGI-OAQYLSRUSA-N 449.529 0.710 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1831412315 KHASBXUNFKIVLH-QFIPXVFZSA-N 438.521 0.935 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831418626 GBHOFOXYSVBEHF-AVRDEDQJSA-N 437.537 0.437 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831435017 JBEJKDRJWXEMMT-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1)C(F)(F)F 1831449953 WEYRNHYJKVEWLM-INIZCTEOSA-N 440.440 0.468 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2)C(F)(F)F 1831891495 XQSGLCZYBNRBFY-GOSISDBHSA-N 429.395 0.574 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833465147 NOQCEHMUHRGVTN-SJORKVTESA-N 441.594 0.277 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834069923 FEYQUOFFFSTCEV-GOSISDBHSA-N 431.537 0.941 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c1 1834247778 HQVGRNKYYNTMDX-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835602226 NQPFEISNVBAQSP-LXBDKUERSA-N 444.532 0.767 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c1 1835845735 YURQPCKXIAAWAJ-FQEVSTJZSA-N 427.486 0.981 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836397485 PUHSQVLXMGSQKT-IIBYNOLFSA-N 444.492 0.600 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836592954 DXKCXLSGJRTFIT-QFIPXVFZSA-N 426.473 0.403 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCCC1(F)F)CCO2 1836629595 KMWVCHGXADLPQF-QZTJIDSGSA-N 432.395 0.448 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837399187 NWHGOHDLLPNJPH-AVRDEDQJSA-N 432.521 0.472 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1837446363 KAIBJHUYXFHWCN-NLPIUPDJSA-N 434.562 0.790 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837630357 RPXQMVCILPTQST-QHCPKHFHSA-N 449.467 0.662 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1837727855 QLVXZPMITDAYQH-AVRDEDQJSA-N 439.553 0.586 30 20 ICED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c(C#N)c1 1838075563 OIXWUUSYWJWUEM-NRFANRHFSA-N 443.548 0.394 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cn5[nH]cnc(=O)c5c4C)CCO3)C2)C1 1838468655 LVTYBLYALHKFKP-QFIPXVFZSA-N 441.488 0.367 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnco4)C3)C2)c1 1838579354 JQZTVLXDIUKARE-NRFANRHFSA-N 426.429 0.939 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3C[C@H]3F)CCO4)c2c1 1839098667 KUZYENPOWDYHTI-PXARDIRTSA-N 427.436 0.863 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1839173679 FVZLMXRDVIYUNT-OAQYLSRUSA-N 432.477 0.364 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839223541 YXARUWJIUAYKLY-KKSFZXQISA-N 440.541 0.406 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1 1839227713 XCAQNQPJQQQTHU-QRWLVFNGSA-N 435.481 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412684 GMWDMSMJYLXNDM-VFNWGFHPSA-N 447.444 0.409 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)CC1 1839421880 QIPFLEKZGXEPQS-OAQYLSRUSA-N 445.447 0.721 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cccnn5c4)CCO3)C2)c1 1839561400 WHNNIXCBTCBKSX-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839623418 XTTFHSGPRCJKNH-JOCHJYFZSA-N 429.521 0.202 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840176558 MPQATUBLXLRXOH-HXUWFJFHSA-N 441.500 0.978 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840342966 CHBXCTFSCXCBLO-ORNUESFESA-N 427.461 0.591 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1OC(F)F)CCO2 1840745852 UKSUFILVDJFXPE-FQEVSTJZSA-N 438.383 0.446 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1840800907 YQOFZFBDOSVMDH-IIBYNOLFSA-N 435.546 0.581 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NN(C)C(=O)CC2)C1 1841865223 LPOWBEMZPKUNML-HNNXBMFYSA-N 445.520 0.715 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)cc1C#N 1842948278 HJWKEZJIGVCFIB-QGZVFWFLSA-N 427.505 0.755 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 8630154 CFJDGKWMNHZKLX-KBPBESRZSA-N 439.490 0.653 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O 16227683 WLLFXUHNJAMGCL-UHFFFAOYSA-N 435.488 0.040 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CO/N=C(\N)c1ccccc1 23656377 MEUFZJUKRFPEJR-UHFFFAOYSA-N 448.501 0.992 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1=O 440257604 PLYAGABCMQJGGN-GOSISDBHSA-N 443.504 0.141 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2CC)cc1 441865777 CXERWCYXARUMDM-QGZVFWFLSA-N 436.534 0.901 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCOC2)c1=O 441950161 BYBSEJJDTWJBLQ-OAHLLOKOSA-N 427.526 0.983 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 465499357 DEAALSCAMWJQEU-UHFFFAOYSA-N 432.481 0.835 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2c(C)cc(C)cc2C)C1=O 467683065 VJUOGXVEDQXVQQ-QYZOEREBSA-N 449.573 0.981 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(CCC(=O)N(C)C)CC3)CC2)c1C#N 472104440 RAJXWUZFVMSFOO-UHFFFAOYSA-N 430.557 0.375 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)c1C#N 472890745 XOMXGNBAKSJZBR-UHFFFAOYSA-N 430.490 0.291 30 20 ICED CCOC(=O)C1(COC)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 478456251 BXEFNTQZTYZRFW-UHFFFAOYSA-N 437.518 0.997 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(C)C 478745919 XZOZVDBYQSYADG-UHFFFAOYSA-N 431.562 0.999 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCCO2)c1=O 478851158 UIKSUYJJFAYOQW-NVXWUHKLSA-N 442.541 0.711 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1ccccn1 479360078 CVSCUFMPGDFIMI-UHFFFAOYSA-N 449.536 0.980 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 479714139 JRWCYDIVYHSTCC-MRXNPFEDSA-N 428.449 0.469 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 494368340 PFWJWVOCQWGIEQ-CQSZACIVSA-N 439.563 0.310 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 500345138 JXDDQPIPFZCWRZ-SFHVURJKSA-N 428.489 0.885 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 507443630 XXNALXQLIRCAEE-UHFFFAOYSA-N 447.517 0.652 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 516092315 UYYHNBTUBSCILD-GOSISDBHSA-N 435.440 0.569 30 20 ICED CN(C)CCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 530881217 DLEFZLNAOMSHGJ-UHFFFAOYSA-N 435.594 0.911 30 20 ICED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OCCOC)C2)CC1 542331263 IKRSNHHZBZCYSA-SFHVURJKSA-N 429.521 0.760 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)ccc1Br 550765614 CUPKTSJIZOWDLM-BTDLBPIBSA-N 434.250 0.754 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2=O)cc1 553976271 BMQWSPVFPJZQPK-CEXWTWQISA-N 426.473 0.576 30 20 ICED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 556167768 TZSQZRISUNCFHX-GDBMZVCRSA-N 429.477 0.975 30 20 ICED CC(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2 561778903 JTFMVQVGBAAHRO-LJQANCHMSA-N 445.549 0.537 30 20 ICED CNC(=O)CN1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 561900556 VPSGIOBYACGXCN-UHFFFAOYSA-N 433.303 0.949 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1CCC#N 567596071 VWNPYAQLQLMGBR-UHFFFAOYSA-N 430.490 1.467 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nc2cc(Cl)ccc2n1C 579998289 VCNPJYWTTZYFCP-UHFFFAOYSA-N 428.884 1.111 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nc(COc3ccccc3)n[nH]2)c1 583412420 DIUVEOSSUBZSNG-UHFFFAOYSA-N 426.458 0.850 30 20 ICED C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 586858636 OSTYVPMMKPPCCS-INIZCTEOSA-N 435.488 0.381 30 20 ICED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 589414387 CIUAQKDLFMUIKO-KRWDZBQOSA-N 436.520 0.704 30 20 ICED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 618800421 JJPHAGQGDDCHOM-INIZCTEOSA-N 443.485 0.954 30 20 ICED CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 731887453 LPTIDTPSPVMGLG-RJCBAWPRSA-N 425.445 0.827 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 733149488 HTALVPRWNNRPPS-OAQYLSRUSA-N 427.549 0.794 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)c1 735595151 PBLVHHKAGGUVAX-UHFFFAOYSA-N 445.497 0.878 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 741341411 JVTRAVDAXXQQLT-QZQOTICOSA-N 430.436 0.934 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCN(Cc2ccsc2)CC1 741344995 WDQDQEQMLAXXJK-FMQUCBEESA-N 432.502 0.852 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCCOC)c2)ccc1F 741635274 OYZMGFXHWHRIKL-UHFFFAOYSA-N 439.469 0.501 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cc1 746788557 FURFAAVOQWNGPX-XKBVJOOISA-N 435.506 0.223 30 20 ICED COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 750813161 FGUHNRXEWIWFPH-INIZCTEOSA-N 439.490 0.390 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)OC(C)(C)C 750815069 NIRXQCMUQURXIY-GFCCVEGCSA-N 425.463 0.226 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 752725546 RNTSIUPGEALRMT-XCLFUZPHSA-N 447.517 0.342 30 20 ICED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 757896512 GODXEMINDMQWNQ-CABCVRRESA-N 430.527 0.951 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 761031449 SDBTUHDLKNGFHT-UHFFFAOYSA-N 433.361 0.737 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccn(C)c3)c2=O)cn1 763461438 YAEDMEBNZVMTIB-CQSZACIVSA-N 440.529 0.108 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1C 765532588 CYOVRYQBBSEDAN-UHFFFAOYSA-N 436.515 0.970 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)[C@H](C#N)C(=O)NC(C)C)CC2)cc1 766255069 NKJQLIAZBUTZGR-SFHVURJKSA-N 448.545 0.842 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc[nH]n1 770822241 OKIVSYHLLHPYEC-UHFFFAOYSA-N 435.462 0.872 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)[C@H]1CCCO1 773797048 MOLLQCCJJURTRY-SJLPKXTDSA-N 435.502 0.251 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 776707488 VILXGOMBXOUEAA-UHFFFAOYSA-N 429.477 0.329 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 779537662 WZKJFFJQWHBBHL-RELWKKBWSA-N 435.550 0.992 30 20 ICED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 781457463 HPSWYCZXPCDHBA-QAPCUYQASA-N 437.518 0.810 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC1(C#N)CCC1 784199112 FUJGWVZDPLHXSA-QFIPXVFZSA-N 440.456 0.718 30 20 ICED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786533557 FULISUJNAOSVPB-BPUTZDHNSA-N 437.905 0.701 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnn(C)n2)c1 787662882 XUORRGHZFNWHDC-XQNSMLJCSA-N 448.509 0.058 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 790282201 AAVXRVMFEJRYGD-UHFFFAOYSA-N 444.479 0.693 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 794628122 HVAFDVGVTRZINI-UHFFFAOYSA-N 447.538 0.927 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2=O)cc1 804052406 YHKKWXXWGDPDNN-QYZOEREBSA-N 425.489 0.149 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 806710421 SDNZBDRWWJGGMQ-LJQANCHMSA-N 430.505 0.487 30 20 ICED Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 807652822 ATGIAGXQPGYDAQ-SFHVURJKSA-N 437.504 0.875 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)[C@@H]1CCCO1 809310962 FCHWOEOGHLPPSO-MSOLQXFVSA-N 445.516 0.654 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 811252349 TYLOTMZSVLDXFN-LJQANCHMSA-N 436.424 0.621 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815269236 RBPOAHOCDVSGMX-ZDUSSCGKSA-N 432.462 0.141 30 20 ICED C#CCN1CCC(C(=O)NC[C@H]2CSCCN2C(=O)C2CCN(CC#C)CC2)CC1 815916974 QVBJLNBKKCSYIW-NRFANRHFSA-N 430.618 0.737 30 20 ICED COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1NS(C)(=O)=O 892450797 JMRXEYAVRJJXRR-UHFFFAOYSA-N 438.487 0.744 30 20 ICED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 914819173 LWGPNVMFRXZNTR-OAHLLOKOSA-N 426.477 0.773 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)CC2)cc1 917863219 NZEYLSFLANOXSX-UHFFFAOYSA-N 447.494 0.924 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1 918239565 XJXDABDALUEPIZ-HAVVHWLPSA-N 449.533 0.567 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(NCC(N)=O)cc3)CC2)o1 919469468 PZYIIJRKAMLQAL-UHFFFAOYSA-N 426.433 0.258 30 20 ICED NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C1 1116181318 QCDTYMBIHNWNHA-BLRPHQBRSA-N 425.489 0.921 30 20 ICED C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1116784291 ISUBERMDFUIQHA-OAHLLOKOSA-N 439.559 0.995 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 1140714462 WVZDFWIEAPSSJT-UHFFFAOYSA-N 436.519 0.474 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Br 1185602937 KRKUWRLEDBMICT-CQSZACIVSA-N 448.364 0.960 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286969733 QZEKLRWPUONOMF-WBVHZDCISA-N 433.538 0.845 30 20 ICED CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298077328 RULMXRZGCPMSGZ-AEFFLSMTSA-N 449.625 0.945 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1300831188 SQWIAIGYIJCHFQ-NEPJUHHUSA-N 449.375 0.854 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1303001182 PCGNHQGAFANHAR-HZPDHXFCSA-N 441.579 0.745 30 20 ICED CCc1nn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1CC 1318407209 FCARHVNNRQAZLD-HUUCEWRRSA-N 436.534 0.434 30 20 ICED N#Cc1cccc(C2(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1322770774 YECKGHORNPUROW-SFHVURJKSA-N 431.514 0.464 30 20 ICED N#C[C@@H](C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C(=O)N1CCS(=O)(=O)CC1 1343333444 ATZWRVAEYXTNJG-NSHDSACASA-N 442.379 0.261 30 20 ICED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)CC2)c1C#N 1353658703 YOKKSMUGSIKLES-CYBMUJFWSA-N 449.558 0.945 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1441627990 WHKWGNRIRMZLSB-ZDUSSCGKSA-N 428.424 0.131 30 20 ICED CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1516356421 ULNTTYRLILPQLR-DZGCQCFKSA-N 435.510 0.459 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1=O 1554361759 UXLBLSKHDDZDOQ-UHFFFAOYSA-N 428.518 0.920 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCO1 1554444461 PNFPBSVZMBVZIA-GOSISDBHSA-N 449.471 0.791 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)NC 1613316005 YTWZMNCQUFJOKO-CQSZACIVSA-N 449.585 0.581 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1618709806 NRMDBUPOKLQQTR-MSOLQXFVSA-N 442.476 0.095 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1671975894 UPSRJOGTHIDZGG-NSHDSACASA-N 437.293 0.281 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705747564 OYRYGELKUURYLU-VXGBXAGGSA-N 425.964 0.654 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706870788 IJNUPKNXSKQWQK-BLLLJJGKSA-N 448.546 0.155 30 20 ICED COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712329580 QDRLHSGVZJINFU-UTKZUKDTSA-N 431.541 0.365 30 20 ICED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777966412 MWXVLWYQLSCKAQ-GCKMJXCFSA-N 425.526 0.962 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1cccnc1 1779015033 OHLKCZKRTCEVNY-BHSKHCGUSA-N 442.520 0.113 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779018986 AHUOIQQYLICEPV-MMXTWKRJSA-N 443.430 0.739 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779099068 PIJRFWPZDIEOQH-JJTSJLALSA-N 440.566 0.394 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779102706 XHIJHZFZSOVQAE-CRESJJQNSA-N 442.476 0.702 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779359617 XHYUHANIVHEFLL-UZUQRXQVSA-N 441.484 0.618 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173716 CNNIWIPBFSBIKY-NRFANRHFSA-N 445.545 0.494 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782951600 BSVSSWGDQWQASR-UGKGYDQZSA-N 445.541 0.898 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782960456 SPWFIUQCNXSPKI-UWJYYQICSA-N 438.546 0.092 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051979 WYKKAVLRPVRDFN-OAQYLSRUSA-N 444.492 0.106 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21 1783530931 WRDYTVXMQWXXAL-GOYFQBHRSA-N 439.512 0.828 30 20 ICED C[C@H]1[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCN1C(=O)OC(C)(C)C 1783569592 WLYBEBNMRLWJHN-PONJGIIJSA-N 449.504 0.550 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1784241883 RUKHVXFCRBZSDL-WMZHIEFXSA-N 425.485 0.569 30 20 ICED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784374568 BBQBPWTWUUPKOY-BZSNNMDCSA-N 435.569 0.554 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1784505424 MYVLTEMGKRMJAC-IGGJEDBVSA-N 445.564 0.903 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376168 KWDQREKILJUWAN-QFIPXVFZSA-N 428.489 0.682 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cc5cnc[nH]5)[C@H]4C3)c2c1 1787421014 APGRPGUAHUPNAX-FNHZYXHNSA-N 433.472 0.994 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3ccc(F)cc3)[C@H]2C1 1789683547 FFJVEWZJEYOEDE-JQFCIGGWSA-N 431.420 0.222 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1789892110 CBMIHNWVHVCHAW-BQFCYCMXSA-N 441.488 0.832 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790584475 AWNAQGGSBXCXOC-VKESLTNKSA-N 442.516 0.218 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1792145819 MSZDBKFXXFSCCU-DWRORGKVSA-N 426.473 0.195 30 20 ICED 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 1793087408 CWNDODOAYFPASC-AHDPXTMNSA-N 431.555 0.170 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)ccc1F 1794210751 YSPZZELBCVOORG-JYYAWHABSA-N 427.436 0.476 30 20 ICED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)c1ccccc1 1795632332 IZKLTXLLEPZFDC-AIYVTKCESA-N 440.544 0.366 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796418551 NXSIIFYSANKCFI-NXEZDXNNSA-N 434.493 0.474 30 20 ICED CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CC1 1798695962 VFNSQCQIUKHBII-IZZQQSIFSA-N 443.504 0.958 30 20 ICED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1799780883 PZARXMBFKOOIQC-DPIQGUFMSA-N 440.909 0.828 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1800188893 KVUPZSVYOJKLIY-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801992078 KVWVIWLAOOPZEI-QKPAOTATSA-N 435.477 0.349 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452424 NRVATCRXNDQKMM-COBJECQMSA-N 449.512 0.524 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819706072 JUZXPDQCTFELEC-MFKMUULPSA-N 435.506 0.180 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826933358 LAQVSSQOAAFPDQ-QUCXKQBISA-N 431.537 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1829770571 YQLOJRHRGHBGGM-XSAUMEDDSA-N 444.488 0.019 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1830457573 AUULLRFDNMAMEG-DEOSSOPVSA-N 449.511 0.980 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1831396918 SYMNZYAVXWTQCO-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(c3c(C)cccc3C)C1)CCO2 1832544305 XABBZTNLNGNJHW-YADARESESA-N 439.512 0.746 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnsn2)CCO3)ccc1F 1833534201 NDVCXYJYTQCLLL-HXUWFJFHSA-N 445.476 0.862 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918049 FMHGPRADPSBQGV-MRXNPFEDSA-N 441.532 0.404 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)n1 1834088049 DLHFINGMFMRUQP-HZHRSRAPSA-N 430.557 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(C)n1)CCO2 1834450368 DVABIWZWQZAARM-BBIZLLLXSA-N 434.518 0.380 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1834674619 NUNMWVVQFUIJJR-FQEVSTJZSA-N 440.548 0.336 30 20 ICED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834987725 NMGTUBSIANUIQB-OAQYLSRUSA-N 427.461 0.541 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1835102460 SYRNAWBJEIUGAH-DEOSSOPVSA-N 435.480 0.838 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674675 DHJZXGISGBPJOR-JOCHJYFZSA-N 446.552 0.389 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837753971 ARNGMHSGQHZCCN-OAQYLSRUSA-N 431.493 0.545 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838051588 MUMMTIVGODWYAE-VBKZILBWSA-N 431.518 0.860 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C(C)C)C3)C2)c1 1838583502 HFIJLMNOCWQBDB-HSZRJFAPSA-N 444.532 0.977 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5CN4)C3)C2)c1 1838736205 PZBJYTQPTJNXSK-URXFXBBRSA-N 449.511 0.671 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951517 UBUVLVUVGDGLKG-ZHRRBRCNSA-N 443.504 0.336 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)C1 1839064041 MQLBPLNDKRKVDB-GCJKJVERSA-N 435.569 0.066 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222628 UKWSRHPHIFXWOO-DYESRHJHSA-N 440.541 0.550 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839421986 WIGNPBCXYQYQNG-SZNDQCEHSA-N 432.452 0.292 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629857 RYSPJXUSFDWWKT-VFNWGFHPSA-N 444.492 0.829 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1840160288 DFDWDRQMTCKAAP-VGOFRKELSA-N 449.573 0.912 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccc1[N+](=O)[O-] 1840758935 IFBVYXYZHDGEGQ-BFUOFWGJSA-N 439.490 0.992 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840840500 VIYCOQMHESTCBC-HTAPYJJXSA-N 435.521 0.866 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CCO2 1840914732 NUUDKWRQDDHHQX-HOIFWPIMSA-N 435.521 0.769 30 20 ICED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1842838393 OIAVVVPUYACYOK-CYBMUJFWSA-N 442.582 0.880 30 20 ICED CN(C(=O)OC(C)(C)C)c1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)n(C)n1 1843463757 WHZSSRBGTMRFIO-UHFFFAOYSA-N 445.476 0.696 30 20 ICED CNC(=O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 25932706 HVBAIQBNWXPQHT-UHFFFAOYSA-N 426.477 0.913 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 63209517 DSGURQIKLIRCNU-MRXNPFEDSA-N 441.440 0.826 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 430411266 DUDLHGAMHXRSDF-QZTJIDSGSA-N 442.582 0.349 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 433947719 GFAFRKZEFASJAA-UHFFFAOYSA-N 433.534 0.439 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441947153 AKWXIAQVCBCUCG-HOTGVXAUSA-N 445.566 0.806 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 444504180 YIOOONUJRQTKKS-UHFFFAOYSA-N 425.445 1.329 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447222501 MMBNAVCXLXBYQO-AWEZNQCLSA-N 433.896 0.542 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 448261344 DUXUCIYBWHNUFD-OXQOHEQNSA-N 442.541 0.760 30 20 ICED COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460599442 OGARAKGSACVEOA-UHFFFAOYSA-N 433.428 0.632 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 465423578 RNEMOXJWMIPDGV-HNNXBMFYSA-N 448.487 0.944 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3cccc(C(N)=O)c3)CC2)cc1 468537830 SUTZFYMBXJWGKT-UHFFFAOYSA-N 442.497 0.959 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 469106746 TWOUNLCUYIJKHY-GDBMZVCRSA-N 440.547 0.252 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 482704143 IBXCVAWXTRTMGX-UHFFFAOYSA-N 434.453 0.362 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 485751389 LGMAECOFLVFOTF-FUHIMQAGSA-N 433.578 0.709 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccncc3)c2=O)cn1 488982859 QOHGHTXDUKIYTE-OAHLLOKOSA-N 434.477 0.806 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)CC1 491076925 MKHOSXCTPPPFCC-UHFFFAOYSA-N 443.504 0.207 30 20 ICED CC[C@H](C)N(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 499788139 ZEXZBTBIAWZJDN-INIZCTEOSA-N 436.534 0.665 30 20 ICED N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 506551698 ZEBWQWFMCYXMBI-UHFFFAOYSA-N 442.444 0.639 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)OC)C1 508810125 NZVXTXWWSXVEEJ-KRWDZBQOSA-N 449.533 0.971 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526082139 OIAUQCGLDQXXBD-LLVKDONJSA-N 435.864 0.296 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 532844888 RBYRLWJONGSETE-UHFFFAOYSA-N 441.431 0.936 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)c2cccc(F)c2)CC1 542886905 QEYKIRIDNSQRJP-IBGZPJMESA-N 446.504 0.853 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 551542513 CTKZLNAHIWSHHL-UHFFFAOYSA-N 448.439 0.130 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 554360836 MVBVAQNWPPEAFM-VAMGGRTRSA-N 425.533 0.986 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCCN3CC(C)C)CC2)c1C#N 557904038 CWUFJGGGMDNYPL-SFHVURJKSA-N 429.569 0.876 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCN(C)CC1 582315186 GRQJPAPSLGLDSQ-OAQYLSRUSA-N 426.565 0.595 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)c1 589161850 YFSLOMLFXSRQAY-UHFFFAOYSA-N 433.555 0.496 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 603560194 FOUUURKRRNPZBQ-KDURUIRLSA-N 449.577 0.905 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccs1 609037512 KYYLBQSRPZMCRH-UHFFFAOYSA-N 440.550 0.875 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 609824577 GKYPXWHLSYTJSL-UHFFFAOYSA-N 428.536 0.019 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)COc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 617121118 CLYXBMXCJOSYCD-SFHVURJKSA-N 428.470 0.502 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160730 IZJCPRCVRKWCAB-CQSZACIVSA-N 447.520 0.970 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O 729673591 WXFYWEXQTPSLEQ-UHFFFAOYSA-N 433.555 0.292 30 20 ICED CC(=NNC(=S)NC[C@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816759 OCIJHWOICYWXSX-OAHLLOKOSA-N 448.592 0.779 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 732455095 CRSWLSPQBWTKOU-JLUOLNIDSA-N 441.488 0.921 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 736844547 TZHAPOFTYBLMKM-UHFFFAOYSA-N 436.446 0.665 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOCCS(C)(=O)=O 741718984 OJYURORATNLBBK-HNNXBMFYSA-N 445.563 0.317 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1cc(S(N)(=O)=O)cn1 748425726 FBVYHUUTFVPMTK-CYBMUJFWSA-N 435.462 0.418 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 748812688 MMQHJNHJUHNEPW-UHFFFAOYSA-N 433.350 0.984 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccc(C#N)cc2)CC1 750250510 QOMIGOGFIJZUGR-UHFFFAOYSA-N 446.485 0.782 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(OC(F)F)c1 752280449 GNMSXFOTTDBZPD-OAHLLOKOSA-N 449.501 0.794 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccccc2OC)c1=O 758068798 UMELZCPYGOODNZ-UHFFFAOYSA-N 439.537 0.986 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(OC)nc1 767892142 UOMVRSWNZBZMCU-UHFFFAOYSA-N 425.495 0.564 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(OC)nc3)c2=O)cn1 772310666 BPMXLNQEDMACEL-UHFFFAOYSA-N 448.508 0.725 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnccn2)cc1 775204292 XFRPPJAWONLQKB-JJIBRWJFSA-N 430.490 0.587 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 777860339 MMSZWXMOOHLHAX-LJSVLAKTSA-N 449.467 0.771 30 20 ICED COc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781104049 KCSPTXPSSHHSRF-KRWDZBQOSA-N 445.545 0.727 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCN2CCNC(=O)C2)C1=O 781104135 LYCCTUNWCFENHO-CQSZACIVSA-N 425.461 0.464 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2scnc2C2CC2)c1=O 782793829 VQBJLERNNSAXFE-UHFFFAOYSA-N 442.591 0.955 30 20 ICED Cc1cn2c(n1)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C3/CCCN3C)c1)CC2 782829503 XEQFMQKOGHLALC-QJOMJCCJSA-N 444.517 0.985 30 20 ICED C#CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 783475371 NAIBZNQGWCLMKL-HNNXBMFYSA-N 435.893 0.567 30 20 ICED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783579650 UVGUSBGRTLKEBV-HOTGVXAUSA-N 435.502 0.948 30 20 ICED CC(C)(C#N)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 785076418 AEELFAXPSDZWSI-UHFFFAOYSA-N 438.462 0.911 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cn2)CC1 786315204 WIXXRGWHEYUSJV-OAHLLOKOSA-N 445.480 0.223 30 20 ICED COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 802444112 KSNLSBIHHUGNCL-HNNXBMFYSA-N 433.538 0.733 30 20 ICED C=C(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802554307 WOQQSIHWMINHQK-MRXNPFEDSA-N 443.595 0.446 30 20 ICED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c1C#N 806098620 DKEFGAORLARULA-UHFFFAOYSA-N 445.545 0.942 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 806877677 CNQXWNRLHMLXGM-UHFFFAOYSA-N 449.305 0.735 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274130 VORFSIGWJDENLU-LLVKDONJSA-N 437.472 0.421 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)Cc1cnn(C)c1 819666411 QUGXUPXLUKOVFA-AEFFLSMTSA-N 447.561 0.841 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)N1CCOCC1 913479095 OAAXFTMFXUHDMI-MRXNPFEDSA-N 436.534 0.649 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 917223429 HUJMWQZCIWDNQT-UHFFFAOYSA-N 443.504 0.754 30 20 ICED CS(=O)(=O)Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 918358198 RYNTWILACHTDPY-UHFFFAOYSA-N 435.527 0.976 30 20 ICED COc1cccc(OCc2nnc(S)n2N=Cc2nc3c(c(O)nc(=O)n3C)n2C)c1 920368676 CQGWSGUTVCQLKJ-UHFFFAOYSA-N 442.461 0.723 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 921130326 JQCYJZNNMCFYGH-LLVKDONJSA-N 434.312 0.963 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(S(=O)(=O)CC)C1 1157911511 XXTNSQUXAGLJEB-OAHLLOKOSA-N 427.548 0.929 30 20 ICED N#CC1(NC(=O)COCCOCC(=O)NC2(C#N)CCSCC2)CCSCC1 1253653805 JPOIXVSBYVWFRY-UHFFFAOYSA-N 426.564 0.831 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1316528237 VFHZKFYZPOVXSX-QRWLVFNGSA-N 427.440 0.584 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 1318113353 JBHYRPCHLLIADI-MRXNPFEDSA-N 444.579 0.331 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1499300064 KOTWDCLVIHTEMJ-SFHVURJKSA-N 435.492 0.706 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1504888142 JKZLWWOOGGTTAN-BBWFWOEESA-N 441.554 0.598 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1512010766 MKPUJSHWGUMPFK-HGTKMLMNSA-N 426.543 0.821 30 20 ICED N#Cc1cnn2c(O)cc(CN3CCN(S(=O)(=O)NCc4ccccc4)CC3)nc12 1654145279 VKQUHJSQUTVQJN-UHFFFAOYSA-N 427.490 0.459 30 20 ICED CC(C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1691523353 VILVSGGOELFFHR-GJZGRUSLSA-N 441.558 0.122 30 20 ICED COCCN(CCC#N)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1698062860 KEKSZLQTDOQTHQ-UHFFFAOYSA-N 448.549 0.570 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1706748959 MUIYCXGKABJKQR-UONOGXRCSA-N 441.583 0.346 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729345697 QJXXDLNHTSHRKC-GOSISDBHSA-N 444.565 0.332 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115215 QFNZSWGEABUBMK-LPHOPBHVSA-N 447.623 0.442 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCN2CCOCC2)C3)c1 1780178057 XEJWASXAJIMRBZ-DENIHFKCSA-N 429.521 0.736 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1784008054 VMKZHEDWTKJZTL-DHIUTWEWSA-N 447.532 0.602 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1784508624 ZAWZSDAUXDZEAQ-DYRFGFBLSA-N 429.521 0.268 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785737459 HNLPAIPSFUQBRJ-OAQYLSRUSA-N 437.493 0.455 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)s3)[C@H]2C1 1787056609 NTFFBJFWAYBMDC-PVPAMPSESA-N 433.534 0.227 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1788660330 JIOPEJJXYPLZJF-DBEBSPLUSA-N 433.465 0.305 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(CO)o1 1788902416 NRWNAZXKJFUFLJ-JAHMZFABSA-N 435.477 0.894 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)OC(=O)NC(C)C)[C@H]2C1 1789751513 VZTVILOCAIHGQY-XSLAGTTESA-N 437.537 0.918 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)ccc1F 1789906150 AWMIBUYPWGAZHO-IEZWGBDMSA-N 444.463 0.672 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936145 VUWUHWVFZIXLSZ-YXMSTPNBSA-N 445.582 0.560 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3scnc3C(F)(F)F)C[C@@H]21 1791074251 MLYCLOZQFJABIU-DCAQKATOSA-N 431.392 0.843 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1N(C)C 1791078945 MYQJCDLIWBKHQG-BXWFABGCSA-N 429.473 0.443 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426204 NVHILGNJCGLWKR-RMFSNUHRSA-N 433.530 0.515 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cccnc1)C2 1792485965 ZEOWVFAMMYBDML-RZKCCLDFSA-N 427.505 0.330 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1792564546 RAWXGBBYYYVDBH-OXOVRFNWSA-N 440.504 0.127 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1792834417 LMPBROLSLYUJSA-OPMZPASUSA-N 431.920 0.613 30 20 ICED CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793591776 GSFTWOAOUAOBKX-TYGXFAMMSA-N 439.509 0.837 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c(=O)[nH]c1C 1794309531 GDHBPQVQHODBDX-DKSSLYBQSA-N 430.509 0.062 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441799 ZPYXPXBFJOKCCE-OPMZPASUSA-N 426.517 0.925 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(N4CCOCC4)cn2)C3)CC1 1795408996 IYNRKHNDJIZCPO-HGKCTWBKSA-N 425.489 0.425 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1797741192 MJSBKHCEBGFNAW-KXJCPHRKSA-N 425.493 0.404 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)N1C[C@H]2C[C@H]2C1 1797784060 IAISRRCYIJALTG-DUZSTJMQSA-N 429.561 0.615 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798415197 PXBYLQKBRPKTDK-YXPYIKCWSA-N 446.529 0.532 30 20 ICED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)CC1 1798920411 YBIZFLZTENDLBC-VTYHHJSWSA-N 425.533 0.399 30 20 ICED C#CCCC(=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 1799196504 KJSCSRNCDWAUOE-KMOPNRPKSA-N 435.521 0.217 30 20 ICED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1801532725 WCTSVWNOYPDDIK-ZSBFGKGUSA-N 445.501 0.072 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C2 1802016607 QSDVLSJDDQQAPA-UGNRZPKXSA-N 447.557 0.665 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1802125831 WNXBWFGBOSECIR-DFGXFYAUSA-N 443.504 0.596 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)cc1 1804093999 LVVMMTHKILCCJG-RXVVDRJESA-N 446.467 0.825 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)CNC(=N)N)[C@H]3c3cccnc3)c2c1 1807061214 MHYJKOYYBUDTCE-MGPUTAFESA-N 445.487 0.632 30 20 ICED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)C(=O)O 1807203545 AIKPJUUECCYIQF-ZHALLVOQSA-N 444.536 0.432 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)cc1 1809507010 YPTQHGTYLCCNHK-UHFFFAOYSA-N 446.525 0.952 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810357859 UJICGCQERZURIJ-XSNYEASDSA-N 431.497 0.099 30 20 ICED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814761515 DTWGXAFSYWWBKK-LBPRGKRZSA-N 446.466 0.763 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814982223 MFYFBOPTVCMKFG-JSGCOSHPSA-N 432.550 0.958 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826874162 KQAOLRFUCSQHQG-GOSISDBHSA-N 433.553 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1829770529 WFGKXNVMKUPIHN-NUTBXXOCSA-N 444.488 0.311 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1830460444 LHMOGCJXJGAFIU-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1831406485 RHAAKUQVFGMFDM-OAQYLSRUSA-N 434.493 0.665 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831483093 KIZZQYGRJYQSLO-RVKKMQEKSA-N 436.596 0.078 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1832456663 UUEOABDSACIYEA-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677086 SYEBDTIXMOGVMI-AVRDEDQJSA-N 433.505 0.490 30 20 ICED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833107346 AGAAUNVCMVBKJC-KRWDZBQOSA-N 425.533 0.807 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833288564 DPAWMIAQIBDDRW-UHFFFAOYSA-N 445.564 0.878 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833429345 UAOQDDUIZFLVEI-FQEVSTJZSA-N 448.564 0.815 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1833441362 VMSSAADTFQWUPA-UHFFFAOYSA-N 441.532 0.645 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CC2)CC1 1833468412 RVRHXLPCHJILLI-WTGUMLROSA-N 430.593 0.937 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)c1F 1833702506 ADAMFQWLFWIIBH-APWZRJJASA-N 428.530 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833964520 BTGRRXFGSFDWKK-LJQANCHMSA-N 446.548 0.844 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977656 KRDPLGSBBCCUPX-QFIPXVFZSA-N 428.489 0.245 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834193467 QGGQHMHQDSGUCH-NRFANRHFSA-N 433.461 0.367 30 20 ICED Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834337657 FDLIOYLNGKQEME-QRKQOGHMSA-N 436.465 0.582 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607093 FXGWSEDEQXXYGL-GOSISDBHSA-N 437.541 0.705 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354858 HDCMQLLIJPMLLU-OFNKIYASSA-N 426.517 0.803 30 20 ICED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835885471 FDOSAFCJCJEUCF-HSZRJFAPSA-N 435.565 0.530 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1836860648 VSIFGMDXDWJPJT-OAHLLOKOSA-N 443.504 0.226 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c(F)cccc34)CCO2)C1 1837055679 MZYLTLWMFAJVIV-IVZQSRNASA-N 444.463 0.810 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837442027 MHWIMOSLEXCRBC-UQQIOGDDSA-N 433.484 0.762 30 20 ICED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837486855 RNCYZPNSUTXXGO-QHCPKHFHSA-N 434.533 0.568 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837524229 CKUSFYVXMHYBGQ-JPHKLTHBSA-N 447.488 0.991 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837561488 OGVCPBUUTGAKJP-ZJHLSYPMSA-N 429.429 0.422 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cnn1C 1837561514 QCXTXDSRHYWBDR-ZJHLSYPMSA-N 429.477 0.511 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837943449 IKKOGECGWYNQEN-KXBFYZLASA-N 438.506 0.199 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838339036 AEOSFRJYCXTQRW-HSZRJFAPSA-N 436.468 0.884 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838460126 GHXNTWGLFXJRGI-HXOBKFHXSA-N 438.484 0.738 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1838583480 FJRJEUZALGNGDJ-VGOFRKELSA-N 429.473 0.673 30 20 ICED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838760992 PDHGMJYGPUHMIK-UHFFFAOYSA-N 437.581 0.465 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1839362371 NTBPVERFEPUEKJ-QHCPKHFHSA-N 440.500 0.445 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c(C)cccc34)CCO2)C1 1839595685 NFPBPTPWVFPVIV-SBUREZEXSA-N 440.500 0.980 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cc[nH]n2)CCO3)c1 1839719357 RQEFUYZLZCZGJW-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 1840176581 NFNRCOPLGLTBOS-HXUWFJFHSA-N 440.493 0.875 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840177397 YPINUWYKQMNMCI-VXKWHMMOSA-N 438.521 0.827 30 20 ICED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816526 YMWBQGHMOUCYDF-VGOFRKELSA-N 428.489 0.999 30 20 ICED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)cc1 1841893282 SSWLPFUNUZHDTE-UHFFFAOYSA-N 430.530 0.035 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c(Cl)c1 1843235155 DXCYSVAWSMQASD-UHFFFAOYSA-N 438.835 0.468 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 409538382 XZEZHWGLQQMCRB-IYBDPMFKSA-N 434.588 0.057 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 429917941 CADOQACMEKSKGP-UHFFFAOYSA-N 429.502 0.369 30 20 ICED C[C@@H](O)CN1CCC(CN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 439855684 IFFGNWOTLLELJF-OAHLLOKOSA-N 442.495 1.373 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)C1=O 440280559 IPOWMNLWFYZLQU-WMLDXEAASA-N 444.488 0.552 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@H]1CCOC1 441932326 YXKNAZVAQKJEGX-QGZVFWFLSA-N 441.553 0.829 30 20 ICED CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 447283038 OAXNFUSMCNJQAK-KKSFZXQISA-N 426.477 0.819 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)no1 460573058 KZDFORINKDILLA-UHFFFAOYSA-N 434.460 1.027 30 20 ICED COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1 467548300 LZMOPEIJJJFKAP-ZDUSSCGKSA-N 429.498 0.415 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)NC[C@@H]1C(=O)OC 468665889 FIRYWBHSOGGKLT-GFCCVEGCSA-N 440.250 0.598 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1 476278410 RRMBDSHXHMBBKB-NHCUHLMSSA-N 426.517 0.999 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCCO1 479361494 HLTBILUYUSJPEX-MRXNPFEDSA-N 440.525 0.688 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)n2)c1=O 479369133 ZCUBCJQWFVXRPT-UHFFFAOYSA-N 441.557 0.391 30 20 ICED CCc1nc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 481754832 JAFWMHVUHVRQKA-CQSZACIVSA-N 432.506 0.515 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1 489026090 OPSJRXUACXZBSP-CQSZACIVSA-N 428.466 0.107 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 489222537 MBTXDVDTUQWXNF-UHFFFAOYSA-N 432.571 0.251 30 20 ICED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498973064 GHGRJCPUGUYIQO-JLZZUVOBSA-N 426.926 0.314 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 500072820 KSBAPTXUAOYCOL-UHFFFAOYSA-N 442.563 0.364 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 505993374 WKWKIFCDTJMPEY-AWEZNQCLSA-N 435.912 0.836 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@H](C(N)=O)C1 508960352 JJVZRRBUFPUCOM-INIZCTEOSA-N 434.522 0.284 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCCSC 514491750 MCBQFNOPPGMOBM-UHFFFAOYSA-N 438.600 0.694 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 514523453 CYTCENINYOOISO-UHFFFAOYSA-N 439.493 0.959 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OCC(N)=O 516094999 HDFGMGGXSKQPQD-UHFFFAOYSA-N 438.444 0.113 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 537454850 KTTFOFQZFZIMPM-UHFFFAOYSA-N 439.310 0.984 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 540371013 ZCPWPEACGYTZAO-HNNXBMFYSA-N 425.507 0.255 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NCC(=O)NC2(C#N)CCCCC2)C1=O 542725459 XRBHXYSWYWEYMG-UHFFFAOYSA-N 426.477 0.934 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC3)n2)c(Cl)c1 551737123 BPHSARCZXLQDTB-KBXCAEBGSA-N 426.864 1.509 30 20 ICED CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(=O)NCC#N)C1=O 553775195 RRDXNSJGSBMDAD-NVXWUHKLSA-N 429.477 0.609 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 555988468 OVLIHXPHYNBITG-ZDUSSCGKSA-N 425.411 0.977 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 558062962 BICDDPJKUKYRML-UHFFFAOYSA-N 438.532 0.552 30 20 ICED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 571597700 BEKWFLNXBMBWDR-UHFFFAOYSA-N 433.490 0.521 30 20 ICED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 608889744 XWSKPMKVRHTFKS-QZTJIDSGSA-N 425.533 0.937 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 610952603 ZGVWKAKLAICXRF-HNNXBMFYSA-N 431.460 0.664 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(C#N)cn1CCOC 614215861 ITBHIYZPPNZKBO-CQSZACIVSA-N 446.464 0.683 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccc(C#N)c(Cl)c3)cnc2n(C)c1=O 619837754 HOWMXANFNUNQJW-UHFFFAOYSA-N 426.820 0.412 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O 726042430 CBLKGNITIXSCGS-DOTOQJQBSA-N 442.472 0.286 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 730070302 SMZDAMABONEEBQ-CYBMUJFWSA-N 428.470 0.658 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCOC 731203496 KDHSSKQHXFCENJ-UHFFFAOYSA-N 429.542 0.829 30 20 ICED CS(=O)(=O)CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 731596648 VHRHRXNCMYBYSP-UHFFFAOYSA-N 429.501 0.572 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cccc(OCC(=O)O)c3)nc2)CC1 733200842 DDBPTULNPLGRJO-UHFFFAOYSA-N 433.490 0.927 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(N(C)CCO)cc2)CC1 734751250 PDTJVUMALPUUKI-UHFFFAOYSA-N 432.550 0.892 30 20 ICED N#Cc1ccc(NCCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1 736379088 SCXYXHYVPRKBLD-UHFFFAOYSA-N 436.538 0.638 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C 739830320 QACDUQUMGXFAGO-UHFFFAOYSA-N 436.877 0.664 30 20 ICED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@H]1COc2ccccc2O1 741343682 VEQIEGIASZWCLX-NPHSNQDVSA-N 429.429 0.791 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NC1(C#N)CCCCC1 745353286 HQUDICVCKXOIMF-CYBMUJFWSA-N 425.511 0.590 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 747583532 YAISNQZZCDNZOK-JDGZLABWSA-N 427.505 0.695 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747853176 JHIDEIQOLZYFBI-UHFFFAOYSA-N 448.545 0.379 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)[nH]c21 754379632 MKBYPGBNUFFRGL-LLVKDONJSA-N 431.453 0.266 30 20 ICED C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 757607444 XLELNJDQRNOOFG-PKDUHMPLSA-N 432.477 0.413 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 758641793 MWBDFXGOUZLUSJ-BXUZGUMPSA-N 430.508 0.371 30 20 ICED Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 760387260 AWSVTDISSBEADX-UHFFFAOYSA-N 433.490 0.474 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 761030778 MCNIBCHMSBMQQZ-UHFFFAOYSA-N 429.340 0.781 30 20 ICED C#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 764589806 PXSVYNIQBGJPRM-UHFFFAOYSA-N 448.364 0.873 30 20 ICED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 772718652 VWSVNCZTKYMYMZ-HNNXBMFYSA-N 430.280 0.848 30 20 ICED CC(=NNCC(C)(C)S(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 774475632 AFOJJXWEECUMQD-UHFFFAOYSA-N 439.581 0.549 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 793203078 HLBNVKHDRXSTCM-UHFFFAOYSA-N 435.574 0.849 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1 793717579 HQIRRLHZBPASDC-SFHVURJKSA-N 449.515 0.499 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 799146093 XYSICQQRJYSDIR-UHFFFAOYSA-N 442.520 0.002 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 802506560 TVVCOQUDWOEYNN-UHFFFAOYSA-N 427.509 0.585 30 20 ICED C=C(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802600685 AZUIUCDTMZELFB-OAHLLOKOSA-N 429.568 0.371 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 807842911 YCYXMMGURHZLRM-GOSISDBHSA-N 429.521 0.399 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2C)CC1 809834215 BMKMKKZMNZWUBO-UHFFFAOYSA-N 449.559 0.739 30 20 ICED C#CCN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 818595669 IKJWFYKCFBJNOE-UHFFFAOYSA-N 435.546 0.930 30 20 ICED Cc1nn(CCC(=O)N2CCOC[C@@H]2C#N)c(C)c1CCC(=O)N1CCOC[C@H]1C#N 1116501349 AGUCBXIRXMKVSY-MSOLQXFVSA-N 428.493 0.325 30 20 ICED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1117131585 NEBGLHQIJHZYOH-FMQUCBEESA-N 432.502 0.738 30 20 ICED C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1288714661 LLCUZGCDANVHSG-KRWDZBQOSA-N 439.520 0.633 30 20 ICED CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1296255998 XOXMVZMUCRKQJX-HNNXBMFYSA-N 438.492 0.961 30 20 ICED NC(=O)CN1CCC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1318447181 OJSHARBQBXFPEP-HNNXBMFYSA-N 435.550 0.351 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 1494252634 JXCUQYPORHOPHZ-QRWLVFNGSA-N 431.518 0.982 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1555012439 RYQKWAHQDBVJGQ-GOSISDBHSA-N 426.477 0.931 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1555555241 OPYGWRAVSNQCIM-OAHLLOKOSA-N 426.543 0.750 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1625801344 UPHXYNMEXDBZAJ-INIZCTEOSA-N 446.508 0.364 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)o1 1636711332 VSHWENQERXCASV-LJQANCHMSA-N 430.553 0.984 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1706071735 WBWIHSIAFWQDIK-HOTGVXAUSA-N 441.602 0.719 30 20 ICED CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1708310571 URMMMFMTMKJDID-GJZGRUSLSA-N 426.543 0.776 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)N1CCOCC1 1741905636 UQPWWBDQSAVBDZ-CABCVRRESA-N 427.575 0.737 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1766687641 VDTFLTUJTDBIRX-UHFFFAOYSA-N 440.551 0.237 30 20 ICED N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1770752078 PXVOJLHKAHLLDV-QGZVFWFLSA-N 449.537 0.847 30 20 ICED O=C(/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2)NC1CC1 1778831971 NLRJUFRXOXATMW-DOBIQSGISA-N 434.493 0.180 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1779015267 SWKGBXSHLOQLNM-PXJFTPKESA-N 433.553 0.691 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779103762 YKSXVYQDRXESHS-OBKNTDCBSA-N 442.476 0.930 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139411 SGOUPUFKWTZVNT-IWERERLVSA-N 449.460 0.023 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1ccnnc1O 1779964903 OLHQSSWIRXZNQK-VIZZCSTHSA-N 430.509 0.781 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CC(=O)NC2=O)C3)c1 1780344537 LLDADLGBKWFNNO-VGOFRKELSA-N 439.472 0.238 30 20 ICED CC(=O)N[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1cccc(Cl)c1 1780932687 NZRJVVWJRVUWBA-CTNGQTDRSA-N 447.875 0.435 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)N1CCN(C)CC1 1781093840 BRLLDTNFTBWZOI-NTKDMRAZSA-N 439.560 0.832 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)c(C(F)(F)F)n1 1781419767 WTDIGEKRTSEWNN-SFHVURJKSA-N 449.393 0.707 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782009736 WQXXVBCLHXHYHM-NQSCKRDGSA-N 430.457 0.331 30 20 ICED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1783141693 AUCJIIBFJGMNIR-GOSISDBHSA-N 439.394 0.552 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)(C1)C2 1783444218 UPJLVRRGKOENKJ-HOAOEZQPSA-N 432.521 0.631 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 1783533359 YYTKYJKRNSXHEF-NWLGSOQUSA-N 432.565 0.697 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565639 OEHMIUMFUDAQOA-OPAMFIHVSA-N 449.504 0.764 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 1784482345 JKVCMNMMPTVULN-WXRFYESLSA-N 431.445 0.932 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1784494841 GJGQRTGWHXBROQ-ULQDDVLXSA-N 426.583 0.433 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1784616471 MNNFYQMANPWITA-HSZRJFAPSA-N 436.468 0.988 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)CCC1 1788054652 LDXZCMKYZVUWMR-MQNTZWLQSA-N 427.505 0.572 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788680192 WHJHQZLYSFKDML-CUAQBAOQSA-N 441.488 0.971 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccn4)C[C@@H]32)c(C#N)c1 1789839592 KJMMRGBEWJQZLE-YYWHXJBOSA-N 437.500 0.986 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079079 ZYKCMLPJXNBKMX-IKICRFKJSA-N 445.447 0.012 30 20 ICED C=CCC(=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 1791276389 HSYLFMFOCIAWGW-ATIWLJMLSA-N 437.537 0.770 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792146428 QHLHSZSXXRTDNX-DWRORGKVSA-N 443.504 0.364 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)cc1 1792422959 ICEVLYOPKGRCNF-RMFSNUHRSA-N 426.473 0.533 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2 1792489098 FUESQKQICZZWIV-VLTQWEFMSA-N 435.484 0.691 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258369 BBNXWEWQSAAQGU-CWPLJXCYSA-N 431.514 0.243 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1793565649 CTJMACVTQUSEDE-UYTYNIKBSA-N 436.553 0.905 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)c1 1793947979 XSOBPDDKBVTFAY-XGIOVGQOSA-N 439.472 0.115 30 20 ICED COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794728250 FIFZFAQDZOWBKN-DBGBFXKQSA-N 432.477 0.822 30 20 ICED 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)CC1 1795409783 PQXSZVZYGWGXQU-FZKCQIBNSA-N 436.509 0.155 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1795598504 VEGHUSGALYEZPO-JLVBRIDZSA-N 425.493 0.214 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c1 1796954934 DLGAHMLVRAOUBP-OPVJXMOQSA-N 445.483 0.832 30 20 ICED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780773 HNRXGDGYKNFXAG-MIFYACCESA-N 433.534 0.482 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)c1Cl 1797803724 ORDRNTUMMBEPGM-POXQLVPFSA-N 448.907 0.065 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(Cl)nn1 1798036433 FVTQBRZSWLGKFB-NYIFICOLSA-N 437.884 0.862 30 20 ICED O=C(O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)ncn1 1798491643 ANSCMKDOHPJXIO-FNXANWTESA-N 431.449 0.956 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2ccccn2)CC1 1799087746 RQASPMMDVYGXPK-KMQSCTNJSA-N 440.544 0.926 30 20 ICED CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)C1 1799120416 KETXZBVFOXZFNT-NXWNEQKCSA-N 426.517 0.868 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c(C#N)c1 1799237478 LLABIHIJSDJOIK-BBIADKPPSA-N 442.516 0.031 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1799304210 YFNTUODUCAPGHT-JLVBRIDZSA-N 430.461 0.119 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nc2ccc(F)cn2n1 1800133349 IFIKAIRHGNMIBD-RCYRTTBSSA-N 443.483 0.543 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1803666686 YPLUFBAAGRDVCV-HHXXYDBFSA-N 428.537 0.881 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1804610502 ZYCNTONMXRCXJF-QKPAOTATSA-N 435.477 0.349 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1807145579 NRHLZHMVVWDCCZ-FPOVZHCZSA-N 442.564 0.701 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1811543600 AFRNZQWDDGYXND-IERDGZPVSA-N 432.440 0.526 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819391696 RGRFUASTZRGXCM-UGVMZYNRSA-N 444.496 0.425 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3nc(CO)[nH]c3c1)CC2 1825667002 FXEOGAMHPYIABI-LLVKDONJSA-N 439.453 0.826 30 20 ICED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1826502041 ZRQTXWCUCYGZHC-GVXSCDGVSA-N 439.494 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1829770565 YKWWZSRKXVNCNX-QJKPHDSHSA-N 445.520 0.392 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1830645688 BXGGHVPTXVZYDT-FGZHOGPDSA-N 438.521 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3C)C2)C1 1831387421 PJJCQAUGIPRMNT-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831395936 CBRDDIJDPVRHDB-OPAMFIHVSA-N 446.504 0.033 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831483479 SSBVHKSKVICQNY-QUCCMNQESA-N 425.570 0.484 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1831564120 YKKSILUKRMKMIQ-PGRDOPGGSA-N 442.472 0.056 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCC1=O 1832374936 DUAHWOZITAJVFP-HSZRJFAPSA-N 438.484 0.103 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419678 NUJOSHTYINIAAK-CTNGQTDRSA-N 441.594 0.800 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1nc[nH]n1 1834951743 HCPRXVLOLVKHKJ-UHFFFAOYSA-N 428.537 0.689 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCOCC2)CCO3)cc1 1835184722 LZSVSKJQEWQYIP-HSZRJFAPSA-N 427.501 0.984 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835712771 CAUOZEXYWVOYQA-QZTJIDSGSA-N 437.585 0.578 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835761485 RJELFFROSITRPQ-DEOSSOPVSA-N 448.608 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836180118 FDKQKPGYEWHLSS-AJPHYDNBSA-N 443.548 0.942 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1C[C@H]2C[C@H]2C1 1837288289 XGXIIRCYRDQWTM-XFNOLROGSA-N 438.528 0.968 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1837395412 ZMJOKJIITHADHX-FDDCHVKYSA-N 430.501 0.899 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837527781 WEDBBUCWMMITCR-OLPVWXKPSA-N 425.482 0.151 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837646379 WKDBPSVNJHNTDC-ZMUFDVHQSA-N 444.492 0.083 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1839139544 LEXLFNDHQFTEIY-NRFANRHFSA-N 441.525 0.560 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839174193 LGTRZAMAFNHZLP-HXUWFJFHSA-N 438.456 0.437 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839240837 XNSQUBQWGQZSQT-XMHVBLFMSA-N 446.552 0.497 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]34CCN(C(=O)OC(C)(C)C)C[C@@H]3C4)C2)C1 1839810643 KHFSPZWGAKCPLI-IMRHEYAYSA-N 447.532 0.723 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839880481 RGKJABSLHLICNI-LHSJRXKWSA-N 448.907 0.806 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1)C(F)(F)F 1839893244 SGRNOYHXOVHDRL-DYVFJYSZSA-N 431.415 0.489 30 20 ICED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)no1 1840160948 ZHRYIHHSIZLBDA-SCLBCKFNSA-N 426.495 0.086 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840322018 OQZDCXGIEMSMES-OAQYLSRUSA-N 448.451 0.052 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840841737 SWPUCGVTEHCAQK-GOSISDBHSA-N 426.395 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840860534 LZXHNGJPSLFSAU-FOGAVDIQSA-N 437.562 0.444 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)C=C)C1 1844373729 GHHLFVBCZYFHOU-HZPDHXFCSA-N 432.521 0.797 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1845106806 GYNOXENUFVPGDW-WBVHZDCISA-N 443.504 0.931 30 20 ICED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1845887836 IDYPRQWTAMLQAB-OAHLLOKOSA-N 435.525 0.865 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1C#N 1846877678 DGLZFTQVVPHDSK-KRWDZBQOSA-N 427.505 0.755 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CCC1 430988745 PYRXCZVITBGNFA-UHFFFAOYSA-N 429.546 0.897 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434592965 BHKRYGWCDXTSAG-AWEZNQCLSA-N 443.547 0.736 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 435656828 RXFVVLCPXWMCCT-UHFFFAOYSA-N 446.460 0.973 30 20 ICED Cc1cccc(C)c1NC(=O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 437186385 BQFOWEGPVQTWFO-UHFFFAOYSA-N 431.456 1.508 30 20 ICED CCOC(=O)c1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cn1C 438243343 JFVOMXIIPLKZEQ-UHFFFAOYSA-N 436.494 0.676 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 440270364 QLZMZPWMJVWGOO-UHFFFAOYSA-N 427.484 0.917 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCOC1 441959140 VZGUYFBKLFFUGN-INIZCTEOSA-N 442.541 0.306 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC[S@]1=O 469640592 UWTGGFKINBHIDB-PMERELPUSA-N 428.518 1.536 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C(N)=O)O1 470004312 XDYQDYXHUYLHLD-CJNGLKHVSA-N 428.449 0.029 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)c3ccccc3)CC2)cc1 470979526 KWOQUFXAUXXUDG-UHFFFAOYSA-N 426.498 0.864 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 471685725 BRPSDULPPGXVGR-UHFFFAOYSA-N 434.497 0.757 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccnn3C)c2=O)CC1 478856417 NLTUISYSDVVXRF-OAHLLOKOSA-N 441.557 0.409 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480211746 GJLIPLZXCYSYKS-UHFFFAOYSA-N 439.493 0.229 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 482813517 URFWDOWTLIPHHJ-CABCVRRESA-N 439.501 0.624 30 20 ICED N#CCCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2c(c1)OCCO2 486215861 MUBLBQASSTXXRX-QGZVFWFLSA-N 428.489 0.885 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 488995120 HKDAPDJCSFQWMO-GJZGRUSLSA-N 428.514 0.271 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 489355802 JTKUDCRGZIPRHJ-YRVHBCJASA-N 449.558 0.727 30 20 ICED C[C@H](O)CN1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(C[C@H](C)O)CC3)c2)CC1 489877601 UPWHWFLUIKEQDE-IRXDYDNUSA-N 432.525 0.472 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 491213886 QDZUQRFPDWTJGS-SFHVURJKSA-N 443.504 0.189 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502049887 NYNRUWVTEIALDL-CYBMUJFWSA-N 435.575 0.051 30 20 ICED CCS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 503214945 CSKSAANHQVBWFF-UHFFFAOYSA-N 437.501 0.636 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)cc1 506320208 FJLVZTYPLZWGBE-UHFFFAOYSA-N 430.504 0.001 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 516209847 PMNWSZUVLSLZHM-INIZCTEOSA-N 427.498 0.804 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1=O 533177077 QOFTZXRKVFPRDZ-UHFFFAOYSA-N 430.486 0.393 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 537443354 ANKLXABSESHUTJ-UHFFFAOYSA-N 426.495 0.129 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 540015578 NVFDUPIIHPWTCX-PXNSSMCTSA-N 434.518 0.912 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 549650822 LQJOUBGEAHHRJC-QGZVFWFLSA-N 446.533 0.847 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 562332007 DJJWBDBVASLEFY-KRWDZBQOSA-N 436.538 0.273 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 569640509 FBAOMGCYONAKDS-LPHOPBHVSA-N 432.484 0.912 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 570750593 OXTVWWBSAAYADQ-LBPRGKRZSA-N 435.462 0.004 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3OCC(F)F)CC2)c1C#N 572887742 ZJSHQWIEJOTFFG-UHFFFAOYSA-N 447.446 0.604 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C 604269818 DMRKKTGZVLYYTD-UHFFFAOYSA-N 448.570 0.024 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 604269964 KXRZYUHICPDCMR-UHFFFAOYSA-N 442.566 0.502 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C 604270450 ZUBSZPIIHUQHSE-UHFFFAOYSA-N 446.960 0.927 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCO3)c1=O 609765446 WTRJVTKWZGFPBS-UHFFFAOYSA-N 435.465 0.143 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 728533943 BXFNVQIJMIQADO-UHFFFAOYSA-N 432.546 0.368 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O 729672968 ASLFPQRTOWQSOT-UHFFFAOYSA-N 445.566 0.377 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)c1 730092159 BFMLFKJXOQCPFO-UHFFFAOYSA-N 442.541 0.820 30 20 ICED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 730271626 FBSZYHHNTFMDTH-IBGZPJMESA-N 433.530 0.794 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 732466122 LGXOOUKYBLSQAU-MRCUWXFGSA-N 441.488 0.811 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2=O)cc1 754421644 QJQYVIVUAKLURB-QUCCMNQESA-N 430.468 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758050229 DSCCXIUSWXNEAV-CYBMUJFWSA-N 426.454 0.105 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 761024398 NHVPAQNNHYVWAH-UHFFFAOYSA-N 448.574 0.362 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 766263448 SYDGTNATYRINSZ-DOMZBBRYSA-N 428.536 0.483 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783480555 KFADWCHQXXWHMT-VQIMIIECSA-N 433.530 0.667 30 20 ICED C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785064039 BOASUDWGZDGVCE-YNNUJBDDSA-N 428.536 0.321 30 20 ICED Cn1c(=O)c2nc(COC(=O)CCC(=O)N(CCC#N)c3ccccc3)[nH]c2n(C)c1=O 785318691 YWSFGHYFBUKQKV-UHFFFAOYSA-N 438.444 0.731 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 792688704 NSYOUVKZNMEIOE-SFHVURJKSA-N 443.554 0.971 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 793197438 QIMYYDXIIHTRBU-UHFFFAOYSA-N 436.515 0.597 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 795810452 DAMSRMHWALPFRX-UHFFFAOYSA-N 427.910 0.858 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)nc1 808615012 RSPZOAOANHEUOD-LJQANCHMSA-N 434.500 0.831 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@@H]1CCCO1 809306832 VXBRYWRKTBHVTG-MOPGFXCFSA-N 426.517 0.683 30 20 ICED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 815752351 OLMQMJNXRZVCLE-SXNXEAAASA-N 437.522 0.469 30 20 ICED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)cc1 904861794 XKIAYBKAFRCMBX-UHFFFAOYSA-N 431.430 0.736 30 20 ICED CN1CCN(Cc2cccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)CC1 1116044661 JMYWYRGGEOEQOY-MRCUWXFGSA-N 426.521 0.760 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1288872813 ZRAFQXQMFQUZOY-OGHNNQOOSA-N 440.551 0.586 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1325879227 OJWIVRFWKIGREA-UHFFFAOYSA-N 429.502 0.979 30 20 ICED COc1cc(OC)c2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]c2c1OC 1356016510 FFKBKWDOEJAXKG-LBPRGKRZSA-N 435.458 0.773 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1503265594 XDCXVHBXQNPXGE-OAHLLOKOSA-N 425.559 0.782 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1519505708 SMHOHUHXJZJNTK-CJNGLKHVSA-N 445.542 0.589 30 20 ICED N#Cc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cs1 1623707743 JWNLIOVABYCLRD-UHFFFAOYSA-N 447.542 0.998 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CCO1 1698494137 SEHNZYWTYQOVPZ-UONOGXRCSA-N 436.469 0.522 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCO1 1722845689 XZNAGDHWHMZHAI-IBGZPJMESA-N 437.504 0.684 30 20 ICED CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728724546 KYHQXDYWZGRWNR-GOEBONIOSA-N 439.586 0.880 30 20 ICED CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750568085 JDTWHJQLZMXWDZ-QGZVFWFLSA-N 428.541 0.463 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1752452652 QYBDTIIFEOBOHA-VHFSOBRXSA-N 431.518 0.980 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777966392 KJSOVHWAJBAQDN-IGMJJTELSA-N 445.582 0.704 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cc1 1779069109 MLMWUIOMDMJOOY-DEOSSOPVSA-N 439.512 0.928 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779104065 FMRQBIYDMUOCDX-SNLHJCLZSA-N 449.533 0.928 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779125633 DAEJJPZBCOZHHH-GOSISDBHSA-N 426.420 0.754 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779201936 RFXCSZDXXSIAGT-KURUZVKSSA-N 428.493 0.322 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1779269107 HUDLXEYPLOSCFV-GSHUGGBRSA-N 432.521 0.821 30 20 ICED CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1780427198 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NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786888602 QVVNQXRZAMRMFV-AIMMBMPESA-N 448.545 0.060 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccnnc1O 1789116825 NLNUQYWGMNANGX-SZMVWBNQSA-N 428.489 0.474 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789853651 UVMAIZVXPVANLY-FHWLQOOXSA-N 449.548 0.921 30 20 ICED C=CCO[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 1790173656 HUFAMQCNWOYGTM-DNCCFGNJSA-N 441.525 0.400 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]2C1 1791153771 DWYUIMHVWYPNSX-FPSMNIFISA-N 437.537 0.918 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)C[C@@H]21 1792171106 CRQCFWLEUFTOIH-WNHJNPCNSA-N 447.532 0.958 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1792223454 LJBRKOAXSTWJNH-WOYTXXSLSA-N 449.504 0.357 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)c(Cl)c1 1792582375 YKZCAYSJFFYFMW-BKEDOTJMSA-N 430.892 0.941 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1795274536 BNYSXHILOZQIOU-MIFYACCESA-N 442.365 0.983 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796288650 JDOGXFCOBNHLHY-XOIINTDNSA-N 443.460 0.148 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796479142 IMRKNDCBLJQKEN-PZTGFMGMSA-N 440.500 0.960 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967220 CILQGTBETINRTR-BASYENTBSA-N 429.521 0.842 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798505939 XRXBCXAEHCLAHL-XOIINTDNSA-N 445.501 0.799 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)C2 1799306529 IVVYVCFFMGVEJL-IHEQNBGGSA-N 448.516 0.841 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2)C(F)(F)F 1800552814 KGXFKEHQNBYPRK-OCVGTWLNSA-N 443.426 0.165 30 20 ICED C[C@@H](S)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 1800980740 FQYIMCSRNLXQKD-XYTFPVCRSA-N 441.550 0.473 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)C(F)(F)F)cc1 1801034199 GFZRLBZDLVLHHL-SCAQPMJSSA-N 438.406 0.634 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801403065 XPGKJXUVHJNLED-YXSRQCCNSA-N 446.504 0.968 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1801992426 FFOURTCUHXLIRP-FAQVEIGNSA-N 437.456 0.396 30 20 ICED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995626 DAQJDOFAIUWSBX-QZEHTVGMSA-N 433.530 0.685 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1803452375 MSSSHFBLLSSEDB-URXFXBBRSA-N 437.544 0.665 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1806359845 HARGZJNXJKVKIR-OAHLLOKOSA-N 425.526 0.998 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1 1814439508 NAWYHDWUSNFDAT-WLMCBFPDSA-N 426.481 0.942 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1819468890 YLEJBKFPZRJEKB-QLJPJBMISA-N 432.462 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1823749236 KGYZTEKIOZNVBB-HPFMTEOYSA-N 442.516 0.390 30 20 ICED C#CCCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829351071 APZKQLDBYSRBSP-QHCPKHFHSA-N 443.500 0.553 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1830049787 DOLZJJBIXSEUAE-JOCHJYFZSA-N 425.489 0.883 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1831393462 MHOWKKVQDBNKHI-YJYMSZOUSA-N 427.404 0.721 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831401662 DGSGNWDPKKKCBS-WZONZLPQSA-N 441.484 0.432 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831431988 INFGYUJUANIWPU-BTYIYWSLSA-N 433.461 0.471 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831483472 SSBVHKSKVICQNY-ICSRJNTNSA-N 425.570 0.484 30 20 ICED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831849406 VQIJQKOJJVSTPN-QGZVFWFLSA-N 425.493 0.849 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833131578 KKNIGHUYPFVHAS-CVDCTZTESA-N 431.533 0.962 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(Cl)ccc3F)CCO2)C1 1833239748 HTWMMPAJKHYJAM-VLIAUNLRSA-N 439.871 0.982 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508113 CCFPGILDXMCWHR-GOSISDBHSA-N 426.420 0.767 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833724221 MTXWRJDHIPUPRM-NRFANRHFSA-N 425.445 0.430 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111153 AGJGDORHABXWCR-BBRMVZONSA-N 446.577 0.664 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nnsc3C3CC3)CC2)CC1 1835212065 CIPZLJDOXHHFTD-UHFFFAOYSA-N 431.518 0.689 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1835674659 CIDDLUGAQSIHEZ-NRFANRHFSA-N 432.525 0.081 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835797497 RNSKCXVSDSKOGW-LJQANCHMSA-N 438.506 0.305 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCc4nc(N)n[nH]4)CC3)CC2)c1 1836169351 OBTVLUMERONVPY-UHFFFAOYSA-N 439.524 0.405 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190894 CJCFPUQHMUIVFM-QFIPXVFZSA-N 431.489 0.590 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837069333 GZLLNDOTTDMPKG-MRXNPFEDSA-N 438.550 0.502 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315874 QFYUOWXNYDNSJD-DYVFJYSZSA-N 438.399 0.139 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3Sc4ccccc4[C@@H]31)CCO2 1837475687 SDZYNVMXOMZBGF-AQCRLBJHSA-N 442.493 0.419 30 20 ICED COCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524445 BJJNYIGRQWDBJL-JJTSJLALSA-N 427.498 0.398 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524586 JVQUMDDNAHKZSE-DTKOAWRHSA-N 435.481 0.019 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837527499 NSUADQMNAPJXAT-GSYMPFBVSA-N 446.504 0.610 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837532284 BEHKJXZYOFDQQH-FNHXNCHQSA-N 425.482 0.008 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1837869344 KXKCRDZNDFEISW-KRWDZBQOSA-N 447.580 0.793 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1838834661 QJJVUKMOSJNOET-JOCHJYFZSA-N 439.472 0.684 30 20 ICED CCSc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838848047 NBLUGZJKUUWEKH-FQEVSTJZSA-N 433.486 0.352 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1 1839226259 JWBWKQUEGRULKL-IERDGZPVSA-N 449.508 0.746 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839466412 XTFYWXBDBMPYNR-OAQYLSRUSA-N 444.444 0.983 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839890895 ZYIDLUAESPXCQH-LJQANCHMSA-N 425.432 0.998 30 20 ICED COc1cc(F)cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840085987 VBTIGXNYLBHIEW-UHQIAATHSA-N 446.431 0.392 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1)C(=O)O 1840839911 LMNQEVIDDHJTGV-NXXUMWEISA-N 443.456 0.424 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)c(C#N)c1 1845138013 GTGXOIWGSWPRRA-OAHLLOKOSA-N 433.530 0.993 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5cc(C#N)ccn5)CC4)CC3)ncnc21 29449582 KOELTIMAELAKBX-UHFFFAOYSA-N 446.519 0.101 30 20 ICED CCOc1ccc(OCCNC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)cc1 109088309 RONMQIOZRRBLEA-UHFFFAOYSA-N 445.520 0.867 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 409500789 KILGFFYABWMIIB-UHFFFAOYSA-N 432.568 0.817 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 429680089 DBZHDNUXJYPYKG-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1F 446531762 RKNDCGFEXRDOJC-UHFFFAOYSA-N 444.460 0.381 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(O)CCO[C@H]3C)nnc12 447739683 FXYKPGTUHPGKDF-RNODOKPDSA-N 429.502 0.978 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cn1 460676350 IOHYIXCOXFZHKC-SFHVURJKSA-N 444.455 0.780 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOC[C@H]3C#N)CC2)cc1 464802162 MVXLSLOCGVQKDF-QGZVFWFLSA-N 434.518 0.359 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 464925064 YGKCDLCZTVUHAA-KRWDZBQOSA-N 432.506 0.315 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 481842155 HIRSICYMVGLIGZ-NSHDSACASA-N 429.501 0.972 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1OC 488767086 JYCBPGMFOMEPFI-UHFFFAOYSA-N 447.473 0.277 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(F)(F)F)ccc2F)c(=O)n1C 500491875 OYQMREKKLYPNNR-UHFFFAOYSA-N 429.395 0.870 30 20 ICED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 506725512 QFBBSOCZXGJVIT-GFCCVEGCSA-N 430.433 0.981 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507464924 OXAGXHVQAGLSNL-LPHOPBHVSA-N 427.505 0.349 30 20 ICED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 509264035 NTWCGCXRGOUQHO-UHFFFAOYSA-N 441.491 0.682 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@]12C(=O)Nc1ccccc12 513998309 AWUGSAOISCGEOS-HXOBKFHXSA-N 446.515 0.654 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 517480571 MEEPQKKLDKIHJH-AWEZNQCLSA-N 428.536 0.198 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)C1=O 524460562 MTWOBPFPUNATOX-QGZVFWFLSA-N 428.489 0.713 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 524746907 OXYKGANFSRXLBB-ZDUSSCGKSA-N 430.486 0.065 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1Cc1ccon1 532194238 QLCXXMBEFHJNMI-UHFFFAOYSA-N 436.493 0.909 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 535894179 CVIBRXRTURVUIA-UHFFFAOYSA-N 440.431 0.815 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 542286365 FWSVSSXKTIVDQO-MRXNPFEDSA-N 438.444 0.719 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)C2CCCCC2)CC1 543839293 LAKHJZFPVTWPLE-LJQANCHMSA-N 434.562 0.922 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CC=C 543860001 BCHYMHDWKXIVTF-UHFFFAOYSA-N 439.493 0.453 30 20 ICED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCN(C)CC1 543925223 NDROZIATAGAXPM-OAHLLOKOSA-N 427.484 0.821 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 548618512 OSNKYVVEQKJXGN-HNNXBMFYSA-N 449.488 0.764 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 550696234 GGUMSHLHBXKEKK-MSOLQXFVSA-N 444.532 0.966 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 552612218 OFDPGZUVOVRETM-HNNXBMFYSA-N 429.564 0.895 30 20 ICED Cc1nc(Cn2nnc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)c2C)no1 552732805 IXYAAOBXIAVQQE-JTQLQIEISA-N 430.450 0.503 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)CN1CCOCC1 552882107 CWKVFKCBKXRKND-INIZCTEOSA-N 433.940 0.945 30 20 ICED Cc1ccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 555443055 FDRLCSRWZRRLAD-ZDUSSCGKSA-N 436.515 0.935 30 20 ICED CCOC(=O)CSc1nnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 557852937 UCMGMMHRLQFDEX-UHFFFAOYSA-N 441.516 0.982 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 563318779 GKCLTWUSRBJXTH-OAQYLSRUSA-N 429.565 0.921 30 20 ICED C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(C#N)c1 587719952 SGDTUFWSRWXHKR-MAUKXSAKSA-N 434.518 0.388 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 590215434 HRXNKOBYBPIHJT-GFCCVEGCSA-N 429.296 0.799 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 613093849 RTTLAKMCMIDVNS-UHFFFAOYSA-N 432.444 0.401 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669813612 QQLGPGQJBOHCLR-MRXNPFEDSA-N 434.464 0.580 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCOC)C1=O 726403565 LBJIDUAJTMRTJU-SYLQMPFCSA-N 428.536 0.307 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 728531651 MLTYAHBDVPSXPH-UHFFFAOYSA-N 434.562 0.412 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 728570992 RTWFYOSTABYYFM-UHFFFAOYSA-N 426.439 0.567 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 729257242 XTYNHGZYTIYNIX-UHFFFAOYSA-N 440.544 0.588 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 729257987 ZJHQDTPDULRVKM-UHFFFAOYSA-N 434.562 0.661 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c1=O 729673605 XJRKDHLKGOPCBP-UHFFFAOYSA-N 447.582 0.538 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)c3ccccn3)CC2)cc1 734964706 YFWMRNCFNWVQKR-UHFFFAOYSA-N 434.499 0.859 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CON=C(N)c2cccs2)CC1 747826122 CUNCSBZGQNYLIP-UHFFFAOYSA-N 427.508 0.523 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 753889923 KNZHISDKNMRLAA-MRXNPFEDSA-N 448.545 0.774 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 755710909 CKISPQYHZLVKJX-MRXNPFEDSA-N 447.561 0.270 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCS(C)(=O)=O)c2=O)c1 763457561 FONRZJQDZGRETH-UHFFFAOYSA-N 435.571 0.801 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1 769840110 SSBJQPPGAOAJAA-UHFFFAOYSA-N 449.489 0.851 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnccn2)cc1 775204295 XFRPPJAWONLQKB-ULJHMMPZSA-N 430.490 0.587 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n(C)c2n(C)c1=O 778783980 KSOIBMCKPLVDQU-KRWDZBQOSA-N 435.440 0.800 30 20 ICED O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)CCN1 781101627 CABGLIFKRJTLQG-INIZCTEOSA-N 433.509 0.858 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 783351277 XJKGYEIXQSUGMW-GOSISDBHSA-N 449.529 0.510 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)O)cc1C 787553584 OFSFLPHSSZGFAI-VYDXJSESSA-N 437.518 0.825 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCN(CC(F)(F)F)C3)CC2)o1 795739048 KMFGKEVRIVIVRP-CYBMUJFWSA-N 429.399 0.931 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 799288159 WPDQPSHBPCWSQB-HLLBOEOZSA-N 437.518 0.314 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 804055664 OONBKGSLLGNREW-HZPDHXFCSA-N 428.493 0.052 30 20 ICED N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)OC[C@H]3C2)cc1N1CCN2C(=O)OC[C@@H]2C1 804555630 MCSCMFCCYSBZMF-UONOGXRCSA-N 428.405 0.748 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)C1 810384683 FMMVSPYTGYCMHJ-SMDDNHRTSA-N 429.433 0.831 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCc2c1cnn2CCO 917172934 MAFFOPHBCCCXOS-INIZCTEOSA-N 431.518 0.888 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCCOCC 917356373 KJHLHDAKOXRDGF-UHFFFAOYSA-N 429.546 0.492 30 20 ICED CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918470281 FGSGSUZDLBLHSX-KQWNVCNZSA-N 437.522 0.470 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 1116759352 VVEQLMQDMPMHTP-GOSISDBHSA-N 445.487 0.525 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288977154 JXVUGUMFAPJHLE-GOSISDBHSA-N 431.522 0.805 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCCC2)C1 1302479160 KLXLYPXYCAFVIT-QGZVFWFLSA-N 437.570 0.447 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1360240880 SQABKBJTDPQKFC-MRXNPFEDSA-N 449.581 0.418 30 20 ICED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1502618562 JREYUEPYRQYAPL-UTKZUKDTSA-N 433.557 0.833 30 20 ICED 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426.473 0.537 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)cc1 1780408384 QBVNSSDJCOHZCF-JBYIUTFZSA-N 427.505 0.279 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1781400581 NNHXSULXJCZQEQ-VLIAUNLRSA-N 430.465 0.679 30 20 ICED Cc1ccc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1783259640 HURILDMATYFMOE-WZONZLPQSA-N 441.484 0.327 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1783769813 YHMSVRDBOWOGAG-IIBYNOLFSA-N 448.524 0.577 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783994318 LLOROJVPBHONCD-FJIDUMEYSA-N 437.537 0.655 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784110027 MCUJWRSULTXUSU-HSZRJFAPSA-N 436.468 0.246 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784540173 HFLJRKWPGWMKBC-WFGGJUAMSA-N 445.632 0.781 30 20 ICED 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AQXKSUJYHGBXST-OFNKIYASSA-N 426.469 0.696 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 1831401738 DOWYNAYSWQXOBE-UZUQRXQVSA-N 448.491 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831403325 ZTQSLIHZSZVESY-UGKGYDQZSA-N 432.521 0.385 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671445 OQRCXPWYOWKENA-YJBOKZPZSA-N 441.488 0.303 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832940971 NQOGOULZZCEYIB-JHXRPTDYSA-N 432.525 0.270 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833566875 YVLLXLZZUHFYLL-NRFANRHFSA-N 449.529 0.110 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csnc1C)CCO2 1833740204 BWYLMFNCEXXKSK-FBQMEGEOSA-N 434.518 0.380 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccc(C#N)c4)C3)C2)cn1 1834167317 SRPMORCOQBRDER-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cncn3C)CC2)CC1 1834243587 VHTGDTQNWNPOAL-PLNGDYQASA-N 428.537 0.464 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836034310 QIVSCTYDPJEAPN-NWBNNPRYSA-N 444.463 0.932 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1836072945 VBEYNNFGIXWDHT-OAQYLSRUSA-N 425.445 0.562 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836995379 OVEOFMWXEPGDFO-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837140196 SMXKOZKGLMLEQL-JOCHJYFZSA-N 425.441 0.305 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1837403576 NWNMFEQKHIYCJS-MSYCTHLASA-N 439.597 0.994 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1837525584 XOLAMCXEVNTGIF-RRPYSREYSA-N 449.508 0.328 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837564870 BTPSODXJJSSTEJ-NYNQOQISSA-N 441.488 0.611 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1C 1839226546 AFECDRAYMPAAQW-IIBYNOLFSA-N 435.525 0.853 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c(Cl)c1 1839424096 OCZPQUCQIJUVSL-FQEVSTJZSA-N 445.863 0.158 30 20 ICED Cc1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2[nH]1 1839616583 DFGROLITQVDZQB-JOCHJYFZSA-N 425.441 0.634 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1Cl 1839872952 UJGHWZMTOVDVTA-VFNWGFHPSA-N 446.891 0.418 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1)C(F)(F)F 1839892027 OHUQFVQIKFZENQ-QGZVFWFLSA-N 431.367 0.274 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839985932 AVBSEQYTHFSDII-HRAATJIYSA-N 439.509 0.006 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)c[nH]3)C2)C1 1840042617 FEJOTHOPHNJVKE-KRWDZBQOSA-N 429.351 0.192 30 20 ICED CCSc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043410 WHNOXASCJMWPJJ-FQEVSTJZSA-N 433.486 0.352 30 20 ICED Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)n1 1840338931 FZZNOYQPJBSJMG-JOCHJYFZSA-N 429.473 0.175 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447949 OMSPJDLUMGHRBB-QFIPXVFZSA-N 438.488 0.619 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CCC1 1840814806 ZGYDPGNNLBRKFO-XZYKOBSISA-N 434.493 0.666 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818842 AMDGDOQGXIBMIO-QFIPXVFZSA-N 431.489 0.554 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 1843346520 PZSBPFWOEYFPCC-SJORKVTESA-N 435.521 0.864 30 20 ICED C[C@H](C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2)[C@@H]1SC(=N)NC1=O 1843409744 IGBTYSJFNNUCDC-GUYCJALGSA-N 441.513 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccnc(C(=O)OCC)c2)C1 1844790275 MOCDMNRFWVEUNK-SREVYHEPSA-N 426.473 0.934 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)c(C#N)c1 1845138012 GTGXOIWGSWPRRA-HNNXBMFYSA-N 433.530 0.993 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845835786 OCWPUVQUQMIJSY-GIVPXCGWSA-N 425.529 0.864 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc12 12427422 RJCHOOMYUBPISH-CYBMUJFWSA-N 447.542 0.968 30 20 ICED C#CCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 18225369 SORNROOKEGLOLJ-UHFFFAOYSA-N 445.291 0.376 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 409565763 OUULLBWIKVJCGK-UHFFFAOYSA-N 426.524 0.350 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 437098909 SVJUJMBPXXCWOU-UHFFFAOYSA-N 426.477 0.932 30 20 ICED CN(CC(=O)NCc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441066165 JZUFNSIGRKLSNJ-UHFFFAOYSA-N 431.456 0.911 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@@H]1CCOC1 441961395 QOMHQEHXNJPHMM-KRWDZBQOSA-N 441.553 0.829 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3CC3CCOCC3)CC2)cc1 444600621 UCOJHZGRRFURMR-UHFFFAOYSA-N 431.522 0.478 30 20 ICED CC(C)[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 464312800 RILIFPWCRUDGFR-SFHVURJKSA-N 436.534 0.822 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 471156124 JIGMVBCZEYFKDP-GASCZTMLSA-N 438.506 0.422 30 20 ICED COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)OCO2 487898264 SDSDTEPHOBYXBX-UHFFFAOYSA-N 437.412 0.756 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccccc2C#N)C1=O 489559073 CKNIFYYTCHJJRE-UHFFFAOYSA-N 427.442 0.852 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)cc1Br 498999303 ZIWRGNJMHDLOAN-UHFFFAOYSA-N 437.294 0.996 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2Cc2ccc(Br)cc2)n1 508335074 YDWIKJNDDAHJTJ-UHFFFAOYSA-N 443.265 0.912 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 508381107 WMCOSMAZPVZSIT-UHFFFAOYSA-N 431.478 0.079 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 508824388 HNUOXSILMBJPRV-LBPRGKRZSA-N 426.572 0.815 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1OC 514521653 ZLDRFYPTBNFBAA-UHFFFAOYSA-N 441.509 0.624 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 517353927 XBDWNTNWIRBMMT-UHFFFAOYSA-N 444.469 0.208 30 20 ICED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 518449210 HIBLAHMSVVIVQT-UHFFFAOYSA-N 430.534 0.844 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)C1=O 525374288 ZSBYJBZNUSBEDK-INIZCTEOSA-N 440.456 0.918 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1 527127875 ODCLBPUVGLETPE-UHFFFAOYSA-N 426.520 0.403 30 20 ICED COC(=O)c1cn([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nn1 545518220 PSLWQFMVRQLUJK-RDJZCZTQSA-N 443.533 0.782 30 20 ICED CN(C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O 552264686 SSMIXCWGNURFFV-INIZCTEOSA-N 442.563 0.309 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H]1N1CCOCC1 554152047 UZQQIDUVKYSSMY-PLMTUMEDSA-N 443.523 0.961 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccncc1OCC(F)(F)F 565801378 ORMYLVOAXYDVRZ-UHFFFAOYSA-N 439.398 0.907 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 569009505 YTQKSNFYHRFFJC-UHFFFAOYSA-N 428.533 0.932 30 20 ICED COc1ccc(NS(=O)(=O)c2ccc(C#N)o2)cc1S(=O)(=O)N1CCOCC1 575477537 BEJYNEHDNUMDJC-UHFFFAOYSA-N 427.460 0.982 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581509996 ALRZEDBUBAXILH-SJORKVTESA-N 432.502 0.205 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)s1 609416826 PYGUWTUYSASQJW-UHFFFAOYSA-N 432.571 0.650 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 612216573 JTDFHCWGDFTBCA-UHFFFAOYSA-N 446.485 0.627 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(F)c2F)c1=O 730801585 ASVIJJDWMDJUBP-GFCCVEGCSA-N 437.468 0.489 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc2cccnc12 732908066 HKVDCVMNHQHACA-OAHLLOKOSA-N 438.469 0.703 30 20 ICED CCOc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1OCC(=O)OC 732910001 IXFMNXCRZNDDGG-AWEZNQCLSA-N 438.458 0.217 30 20 ICED COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)NC1CC1 740458146 IDEIYRHZEMBYII-ISLYRVAYSA-N 449.489 0.784 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 743909051 PLBSRVPUBLWYLX-HNNXBMFYSA-N 441.481 0.381 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccn(C)c2)C1=O 748096766 WQCYGCUKSVYWFU-VFOOBRQFSA-N 449.558 0.809 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 749667407 RKLZORLAGCKAQQ-UHFFFAOYSA-N 433.484 0.047 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 754387150 CQAHDVZVRYTLCT-CQSZACIVSA-N 440.526 0.368 30 20 ICED N#Cc1c(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cccc1S(N)(=O)=O 755003828 HJHYFQGGXOLOGU-HNNXBMFYSA-N 443.533 0.913 30 20 ICED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 759192258 TUOYRPDQUKNYKB-UHFFFAOYSA-N 438.502 0.883 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 764593756 FVFSKTVWJJEYTQ-MRXNPFEDSA-N 435.550 0.286 30 20 ICED O=c1c(C=NNS(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)nc2ccccn12 764721892 KYUMLUKASMAOLK-UHFFFAOYSA-N 431.449 0.983 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CC(C)(C)CN(C)C 772312820 JELMFDLOHRIKQR-UHFFFAOYSA-N 440.573 0.600 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 773267175 NEXFITHYOGLRMS-UHFFFAOYSA-N 446.441 0.640 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCCO1 773791050 BHSUTJVUNZTBFY-ZAUIQWQISA-N 432.502 0.735 30 20 ICED CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 774485839 SSLTXGOSGSZPLT-JWGURIENSA-N 435.506 0.032 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 779027592 BJTAYQCSVGTOLY-YRHWPSCSSA-N 434.478 0.267 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 783455179 OPJDSPXYHGBZAN-UHFFFAOYSA-N 433.428 0.688 30 20 ICED N#Cc1ccc(-c2nnc(COC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)o2)cc1 785659904 SVNNUDXCECOYME-QGZVFWFLSA-N 425.445 0.832 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)c1 787502834 GDUZULWOMIMCOP-UHFFFAOYSA-N 439.490 0.608 30 20 ICED COCc1ccccc1CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327296 LSDGICVWHUZNMH-UHFFFAOYSA-N 431.470 0.843 30 20 ICED CC(C)(C)OC(=O)NCCCOC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 800074992 VWYZRDJRVZAANH-INIZCTEOSA-N 432.543 0.851 30 20 ICED C=CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800780110 JVMFPIMGEOYCHM-HNNXBMFYSA-N 445.611 0.692 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 806878815 XAJXCGOPKVHSJV-UHFFFAOYSA-N 434.443 0.728 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 810775871 XVCXGRCMEBQPOS-UHFFFAOYSA-N 446.503 0.326 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccc(F)c2)C1 811042802 ZREMZTUDCXPKEA-WFASDCNBSA-N 426.470 0.979 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 915625716 LOATWZKEBBAYFR-KRWDZBQOSA-N 443.529 0.762 30 20 ICED CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 919547794 AXJNIVYLOHZHNY-DYVFJYSZSA-N 445.501 0.907 30 20 ICED Cn1c(C=Nn2c(S)nnc2[C@H]2COc3ccccc3O2)nc2c1c(O)nc(=O)n2C 920366383 QTCCTSBCPVKOQF-LLVKDONJSA-N 440.445 0.648 30 20 ICED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408315 LHYCQYLHXPCSBY-RHSMWYFYSA-N 440.547 0.020 30 20 ICED COC(=O)C1(NC(=O)COc2ccc(C#N)c(Br)c2)CCS(=O)(=O)CC1 1270275608 PETWEPHNFJCHIQ-UHFFFAOYSA-N 445.291 0.936 30 20 ICED Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1290222625 XZBMUSDLDRXHLP-DOTOQJQBSA-N 444.565 0.817 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1301407807 QITFBVVCEYJXHS-SIKLNZKXSA-N 442.520 0.647 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1313549138 WWMMQAAYLXNGDO-SFHVURJKSA-N 425.493 0.636 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)COc3ccccc32)cc1S(=O)(=O)NCC#N 1318620198 JMMZKUKDWRZKOA-UHFFFAOYSA-N 428.470 0.952 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ncc(CCO)cn2)CC1 1473076421 MHOOXZYYIPILAX-UHFFFAOYSA-N 447.542 0.508 30 20 ICED CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1503261012 KMLNKWZRHGCJDI-WMLDXEAASA-N 433.490 0.954 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)NC 1513341604 GZZFSGZRSBOUQH-UHFFFAOYSA-N 425.559 0.876 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1519531580 YPEXZTBBJSHIDO-KDOFPFPSSA-N 439.517 0.266 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1611360884 NJLKLCKHOIRZIT-HNNXBMFYSA-N 428.493 0.970 30 20 ICED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1=O 1615827084 BJALWOCKTJKXMK-UHFFFAOYSA-N 437.504 0.734 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1=O 1712477317 POWRQRDRBXMMRO-QFIPXVFZSA-N 442.520 0.899 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1726638419 FDTICBQNFDDZAF-VFNWGFHPSA-N 426.477 0.547 30 20 ICED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1741135257 RZCFWHKEVDPVQX-OAHLLOKOSA-N 445.549 0.886 30 20 ICED CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC 1764553693 VIYNJIDDLZUGKW-INIZCTEOSA-N 434.522 0.697 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1767816360 TYMBURQNTLICOP-UHFFFAOYSA-N 425.493 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnn2CCOC)C1 1778232515 CRYICTNDBITFIA-SFGWALBWSA-N 432.521 0.695 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c(C#N)c1 1781176011 FNOPXCLACQHWEB-IVZQSRNASA-N 428.489 0.464 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1781271484 UIYLDPSGVYJWFP-QFIPXVFZSA-N 429.473 0.738 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781391268 QMJBNBBTPXLVBV-IERDGZPVSA-N 431.493 0.442 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1781400578 NNHXSULXJCZQEQ-VBKZILBWSA-N 430.465 0.679 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)N1CSCSC1 1782010034 AMFFMKSLZMDUCT-SPYBWZPUSA-N 441.575 0.631 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1CNc3ccccc3O1)C2 1782010721 WRWJJOMSUUTHNT-ZDWFVDTJSA-N 441.484 0.852 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](CCN(C)C)(Cc3ccccc3)C(=O)O)C2)C1 1782801121 PUZZUCDTHMEESH-BJKOFHAPSA-N 441.528 0.715 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1785077877 FSALVSCDRFEGCU-NPMXOYFQSA-N 448.483 0.960 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1785443650 ORHGVQWUAIQZJT-CVDCTZTESA-N 433.549 0.820 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785575166 ZHEQBLKHJBUNNF-HRAATJIYSA-N 446.508 0.025 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1785575705 BOFSFXDTLNFFIQ-VGSWGCGISA-N 433.505 0.712 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)n(C(C)C)n3)[C@H]2C1 1785715068 INBBNNMQOGGPPP-DRMAHVMPSA-N 446.504 0.794 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc([Si](C)(C)C)c1)C2 1792490085 KUABXOUKYIBXOQ-SNFMQTMVSA-N 445.592 0.886 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796282942 AXEFRBHNDAMCSJ-DACLVMHWSA-N 431.489 0.629 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)N(C)C(C)=O)c(O)n1 1796449818 FVVGRQMBTVNHCU-DFYYWFRZSA-N 444.532 0.976 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796995297 OZBUKVDGKAACSF-GGXPGOJBSA-N 440.500 0.728 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1797182390 ISHUZQIMQKXOSX-WHZNHKCRSA-N 449.504 0.311 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc2ncnn2c1 1797559854 KEOAZLINBIUGRO-ZZFQSMGRSA-N 425.493 0.404 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1797713088 FZYZHOQYTJUMHW-YNVMFWSZSA-N 427.501 0.958 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797777390 WCMPUMGKGPSVAW-UGNRZPKXSA-N 441.532 0.565 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815287 MPRFLUHXUZWURQ-HNNVEQLNSA-N 433.509 0.688 30 20 ICED COc1ccc(CNC(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cc1 1800279294 IGKKIGDQGQDWLQ-FAQVEIGNSA-N 428.489 0.595 30 20 ICED C#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)COC)C2 1802124654 GTEMEROZCQSUAN-DFBDCSAJSA-N 437.537 0.775 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@@H]1c1cccnc1 1803435066 QKDVIDQHIJPCOX-BSNXPFOBSA-N 441.532 0.861 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804187687 OPEVRVZFLOJQFF-DNVCBOLYSA-N 435.444 0.153 30 20 ICED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1811312165 XRSYKDOCVRSLFL-YWZLYKJASA-N 448.439 0.134 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](C)S)[C@H]2c2cccnc2)CC1 1813038840 WAJAXEGJZJQXOE-XFQXTVEOSA-N 433.578 0.570 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813470312 DOHXOOHARHTYRH-BGTYHANMSA-N 427.509 0.908 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1823080528 XSSCSGYYNFQPLX-MNOVXSKESA-N 447.454 0.581 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323787 NPBFVODFUKNBDW-QGZVFWFLSA-N 442.541 0.393 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826936701 YCKZTCWBXIXLLF-QZTJIDSGSA-N 436.553 0.708 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1829781780 FXYPCRVDYXHVOI-OAQYLSRUSA-N 434.493 0.950 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1830341811 UECSXDBMMVATIA-IRXDYDNUSA-N 448.520 0.714 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)cc1 1830959817 GRDUTGPPSCGAKG-QHCPKHFHSA-N 435.484 0.590 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1831398410 ASYKMMFOLXCHOR-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1831401524 BEUYJQXTOBQSIX-FGSXEWAUSA-N 431.489 0.344 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1831402200 QFYIJAIAJCBMPN-UUOWRZLLSA-N 442.512 0.659 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831632346 NFNMNWOTCXIPBX-IVZQSRNASA-N 441.488 0.787 30 20 ICED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831836294 HSFVVNHMXPLVGO-NVXWUHKLSA-N 431.624 0.655 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)[nH]1 1831862956 CJOOCHCQWQBMQD-JOCHJYFZSA-N 439.472 0.739 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1832452770 GXOVFDRIGWNGCL-HXUWFJFHSA-N 431.518 0.947 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccn5)CCO4)C3)c2c1 1833978744 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1837396163 CSIHPYAEWUDHRF-HTAPYJJXSA-N 443.504 0.372 30 20 ICED Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440907 GETXKXJINYXSGC-XZEIMLRBSA-N 433.509 0.833 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)Cc4ccccc4)C3)C2)c1 1838739870 AIZMFYPWQAZXQT-NFBKMPQASA-N 438.484 0.560 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nn[nH]c4C(F)(F)F)CCO3)C2)CC1 1838763901 WNGCTNHCJQFFJO-MRXNPFEDSA-N 428.371 0.197 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838969347 BJDNCSAOWVKVAV-QFIPXVFZSA-N 430.505 0.744 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839222323 KBKXUWZOYMCQRV-YLJYHZDGSA-N 442.582 0.293 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839223249 QTYYQEOFRRMBTN-KKSFZXQISA-N 434.493 0.961 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1839381523 ZIDYUSZICKPUGZ-FOIQADDNSA-N 431.518 0.656 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(F)ccc(F)c3F)C2)C1 1840040188 RGCPATJGBGEALP-HXUWFJFHSA-N 440.374 0.191 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104158 HUFXSTAHAIDXQO-DEOSSOPVSA-N 439.512 0.507 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)CC1 1840158043 GLRHGVJYLDYGRH-ULMVMLMRSA-N 428.551 0.741 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647366 FAJKTGUFWFUJJT-OPAMFIHVSA-N 446.504 0.656 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818771 WRZODQRUDJPVKQ-HTAPYJJXSA-N 431.489 0.676 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)CCO2 1840822475 FDPIRIUOAPZGMC-SPYBWZPUSA-N 446.422 0.900 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(O)c(O)c1O)CCO2 1840879823 HUWFUTAOGRGRKX-NPOAWEEOSA-N 442.468 0.686 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cncn1)C2 1847073890 NFXGJJXSWLCBLC-HOTGVXAUSA-N 430.509 0.959 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)NCC(F)(F)F)CC3)CC2)o1 29721217 ZBHVVMHZMSHWRF-UHFFFAOYSA-N 442.442 0.894 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCO1 409586796 LMZCXUVLUYKJJL-QGZVFWFLSA-N 438.941 0.965 30 20 ICED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 443110012 MGVPOPNWDPXDFL-UHFFFAOYSA-N 434.435 1.269 30 20 ICED COCCn1c(NC(=O)[C@H](C)n2cnc(C#N)n2)c(NCc2ccccc2)c(O)nc1=O 467214630 DJQGLGDAHMEQOS-ZDUSSCGKSA-N 438.448 0.870 30 20 ICED N#Cc1c(NC(=O)CCN2CCN(CCS(N)(=O)=O)CC2)sc2c1CCCC2 471020867 XOIQFPOTBBBNMB-UHFFFAOYSA-N 425.580 0.733 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cc1 480932500 HQASCQNKGLOFOE-UHFFFAOYSA-N 436.493 0.874 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)n1 487177286 CZDSXQWNMZLWOS-WOJBJXKFSA-N 437.504 0.978 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 502018760 UKRCUBPSTBGZJH-UHFFFAOYSA-N 429.546 0.632 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3CCN(c4ncccn4)CC3)C2=O)cc1 504010502 NVQFNEIQVHVPHA-HXUWFJFHSA-N 448.531 0.965 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)nn1CCC#N 505026531 IAFTXYOZSLOOCV-UHFFFAOYSA-N 445.568 0.986 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2=O)cc1 508252374 OYGOBPREKQEUGA-SFHVURJKSA-N 442.501 0.726 30 20 ICED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510344322 TZYJCBTVVATIMT-YOEHRIQHSA-N 442.563 0.355 30 20 ICED CC(=O)NC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 520847258 HLXTYHJGIQITET-GOSISDBHSA-N 447.561 0.239 30 20 ICED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CC1 532704053 WEXYZQIBGDIOMO-HXUWFJFHSA-N 447.517 0.132 30 20 ICED CC(C)COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 535806560 OINNMQGQWUQOCE-UHFFFAOYSA-N 440.525 0.212 30 20 ICED N#CCNC(=O)CNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 553423447 MQOMMRZQOPNNJA-UHFFFAOYSA-N 426.290 0.462 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)nc1 554715189 LTFZYYFPVPRFGU-RTBURBONSA-N 426.521 0.096 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C 604472893 WPRGRNFEPYAUOT-UHFFFAOYSA-N 426.542 0.644 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 609749779 WRJIGKAIXANJFQ-CQSZACIVSA-N 429.458 0.834 30 20 ICED CN(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609990402 MPFKEBSGAIGAKY-UHFFFAOYSA-N 444.473 0.831 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(F)c1 610083699 WRXTZWKTIDWPNB-UHFFFAOYSA-N 438.525 0.937 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 611544816 MOKOKDSAROQPED-FPOVZHCZSA-N 440.548 0.759 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727222145 UUFBDAXWMNFBHL-JTQLQIEISA-N 439.270 0.444 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 729257681 NOFLCIQGPJSILH-UHFFFAOYSA-N 440.953 0.244 30 20 ICED NC(=NOCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(CN2CCOCC2)cc1 729674399 KHUDUHFOODGJRZ-UHFFFAOYSA-N 429.521 0.237 30 20 ICED CN(C)CCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 733888969 LQZHZZPZXSJSKW-CYNURGJPSA-N 435.550 0.848 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749870847 WCESMURGXAHABK-OAHLLOKOSA-N 430.530 0.517 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 767679953 OSEIQBTULSSPEA-VIFPVBQESA-N 436.368 0.156 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1C#N 774360498 NFYXLJTXZJXBIK-UHFFFAOYSA-N 430.465 0.298 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 774662917 IRBJFGMXPIQAHV-FQEVSTJZSA-N 433.578 0.992 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc(C3CC3)nc21 782694925 AGVDDOSNTIPTRO-UHFFFAOYSA-N 433.384 0.888 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 783347971 UZIBQPRDEOBNKF-CYBMUJFWSA-N 441.937 0.966 30 20 ICED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783579651 UVGUSBGRTLKEBV-HZPDHXFCSA-N 435.502 0.948 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)c(F)c1 786569146 JMLBNXDNYWQIBC-XOYXNHQRSA-N 431.395 0.842 30 20 ICED COCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 789823318 PXTLOZQCMDZHJK-LTGZKZEYSA-N 426.495 0.912 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 793833324 CZEJWNRRGKGOQM-UHFFFAOYSA-N 438.487 0.410 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(CC)o2)c(=O)n1CCOC 800847005 HFSBHVIDMVFHQJ-UHFFFAOYSA-N 445.497 0.303 30 20 ICED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)nn1 811178388 LONKWMIICBPCFA-HZPDHXFCSA-N 430.421 0.633 30 20 ICED C[C@@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1sc2c(c1C#N)CCC2 815260121 KBLNTUDFCFINIA-GHMZBOCLSA-N 426.520 0.894 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917769232 XMURBLWDMGFNNJ-AWEZNQCLSA-N 447.561 0.162 30 20 ICED C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918261183 SNOPSIPGMQQMTN-UIFJYSFJSA-N 432.506 0.839 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 920245162 NHWQKTUVMPABNU-HNNXBMFYSA-N 436.515 0.715 30 20 ICED CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 1116279880 OEYLBTLMSAAXEH-CABCVRRESA-N 431.518 0.864 30 20 ICED CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1301796092 RQBXPOZNOZBJGO-SJLPKXTDSA-N 444.517 0.916 30 20 ICED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1438408018 DTPPSSNKRIXBNT-HNNXBMFYSA-N 425.532 0.317 30 20 ICED CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1457241954 IORGUSPQLDCCDI-UHFFFAOYSA-N 439.490 0.725 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1541679228 UQVNTQIDMNIGSW-KRWDZBQOSA-N 425.493 0.504 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1545145978 NHBGLXMZFUXXLT-FOIQADDNSA-N 446.533 0.438 30 20 ICED COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 1555571882 ODTPEAMMKNAWID-KRWDZBQOSA-N 441.540 0.322 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1618840467 PTJZWFGPSGXONA-UHFFFAOYSA-N 439.492 0.753 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1638898622 SUQABMMKUOCSSW-PBHICJAKSA-N 437.518 0.757 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1729741883 MJUKBUPPDQXMAD-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1747468183 RCOOGVARLQHDOW-HKBQPEDESA-N 445.549 0.959 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444453 BZZVTOLOCLGMLZ-QEWGINQYSA-N 433.509 0.659 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057577 AATYWWCFIFXXND-VFNWGFHPSA-N 427.461 0.124 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1781269802 OKWQMVBAYRSRIJ-OAQYLSRUSA-N 433.509 0.986 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783056315 SVEWQQIWRKJPHQ-YADHBBJMSA-N 446.504 0.605 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783336207 NSVADXKTYPDPMT-XXBNENTESA-N 428.533 0.702 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558304 WPSIQXSCKAMOPH-ZMPRRUGASA-N 447.488 0.374 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683504 BOTAMDTUNQTCQY-OVWQWFNUSA-N 427.505 0.729 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1784491406 AOWKJUJPAZGFSD-LNLFQRSKSA-N 433.505 0.972 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1784785983 PQKIRBRRDPNOGF-VGWMRTNUSA-N 448.524 0.867 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785420053 UWOFMTOEMTVZOF-PYIDCTPTSA-N 449.504 0.764 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787080726 GFEVSHYOYCIVNS-LNLFQRSKSA-N 433.505 0.972 30 20 ICED C=CCO[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 1787493425 VANNYCQCXGLGIC-LGFJLYTPSA-N 438.550 0.360 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1788659104 VRJDNQGMXCEPIB-IVWUYDSNSA-N 448.564 0.835 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1)C(=O)O 1790142237 DHBINCLXOKDXET-VJANTYMQSA-N 428.489 0.409 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21)C(F)(F)F 1790880124 IDQDOVGLHNNHOG-UBHSHLNASA-N 426.395 0.892 30 20 ICED Cc1ccc(COCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1C 1791075735 TUTWFZZUFYMYJP-UFYCRDLUSA-N 428.485 0.888 30 20 ICED O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21 1791311958 SNLOJPFSZYCKBI-CIUDSAMLSA-N 437.312 0.545 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4cncn4)[C@H]3C2)ccc1F 1791521889 CYUCJLPBXYZRLH-QRFRQXIXSA-N 440.479 0.901 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c1 1791985213 XWRJQCJIUWCOPI-SSRYDLFMSA-N 441.532 0.500 30 20 ICED C#CCCC(=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 1792173737 GRWDDVZHYJIOMA-QTMHVTGLSA-N 449.548 0.607 30 20 ICED O=C(CCN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1792311817 MWBJEOFMKKFQTI-ISQZCQQYSA-N 436.553 0.981 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1793362040 YMECXXGOKHAGRD-PDOICOKGSA-N 431.537 0.513 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)CC1 1795408555 GGJHZHPNARHAHS-YWVIFJGQSA-N 447.455 0.078 30 20 ICED NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)c1ccccc1 1797811160 JHPCCZYPCZPRCM-RWHVCZPKSA-N 444.532 0.848 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680574 OWWSTYJZTIMHIO-JBXGNFEISA-N 427.498 0.010 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c1 1800199239 MAVAQFRUBHCITQ-UPHUGPLXSA-N 437.456 0.027 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1801001491 VENKRBSSFFMFAO-OAFZBRQQSA-N 430.505 0.788 30 20 ICED CCOC(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)Cc1ccco1 1801991367 IHLHKBYXRRVYHV-MUJYYYPQSA-N 431.445 0.964 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079458 SCJRXZWTGLXWIQ-UTKZUKDTSA-N 432.484 0.755 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810252196 HKIJMTKRPXRRLZ-WWMYMODYSA-N 440.500 0.586 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCOCC3)sc2C1 1814632263 GJVPHXCKTQFNPA-IYKSTZQJSA-N 447.561 0.636 30 20 ICED CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819898144 HJEPLCUBRHHVJG-QDBGGYOHSA-N 444.535 0.629 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1ON=C(c3ccccc3)O1)CC2 1825666883 KVTVXVKHQUFHBO-HXPMCKFVSA-N 440.437 0.878 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1829770377 MBQNBOHPLPEWPX-RMUOZIPVSA-N 432.477 0.220 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829956409 MNKNEGPINUXNJZ-AVRDEDQJSA-N 426.473 0.154 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831386952 CEKXLBHPHSQHLA-WZONZLPQSA-N 440.500 0.372 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1831427175 PYFXHQBAXJCSCQ-JXXFODFXSA-N 438.550 0.991 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1831485154 QBEDDTCQYYRTBC-FPOVZHCZSA-N 447.561 0.842 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832344499 NMZAKFMHPLZWMU-KADOOAIWSA-N 436.553 0.874 30 20 ICED COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1832912758 PQCQAIDUQIQGHU-QFIPXVFZSA-N 428.489 0.783 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833449016 PMHSQQSQVVBCBK-INIZCTEOSA-N 438.594 0.299 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833470091 VNMKFJTZDYMEGA-NRFANRHFSA-N 435.477 0.138 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CC)CCO2 1833511163 VFJIWTSJULEPCV-XBKFQHLESA-N 442.516 0.572 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833994802 CACMZMKWFONRCF-PIVQEWKSSA-N 446.504 0.989 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1834715656 WGTISWCTZDPTEN-UHFFFAOYSA-N 442.564 0.787 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CC1 1835345619 RFFMXBZOBXVKJY-FQEVSTJZSA-N 443.485 0.130 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1837402089 CSDNWOPOIPAKRS-JTSKRJEESA-N 442.553 0.805 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837402742 CZBDYRHUJOIXED-AUSIDOKSSA-N 442.516 0.977 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cnn1C 1837488570 KUUNRFNJLXCFML-QHCPKHFHSA-N 444.532 0.497 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1837689446 XXMIAAYOTLFKNQ-SVMVAKDDSA-N 448.520 0.667 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838110651 CIZBFBPHNNFUSJ-OAQYLSRUSA-N 442.428 0.401 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838680881 MUGMLGGIQKGHOY-JOCHJYFZSA-N 430.505 0.487 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1838953405 VWGXIENKXBYUGV-XMSQKQJNSA-N 426.473 0.154 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839036173 SVKXZJIGOFLPMI-OAQYLSRUSA-N 434.514 0.947 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241568 QKIIABNOVBUGAS-JOCHJYFZSA-N 448.520 0.535 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1839420401 HPDAMKSEOJCPMK-NRFANRHFSA-N 427.436 0.664 30 20 ICED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423549 JNJZOOZTVQPAAI-HXUWFJFHSA-N 434.880 0.370 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533080 RCCUIMIDLDHOMT-HRAATJIYSA-N 433.509 0.700 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)C2)C1 1839807699 FSGODNLFGJQKIP-PNLZDCPESA-N 435.521 0.579 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436607 QEHATPAXKIRZJY-CVDCTZTESA-N 448.564 0.609 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccn1 1840441029 UBFXYWBZHRNCDK-DYESRHJHSA-N 432.525 0.182 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)ccc1Br 1845458294 NZVIBFRLUHVECT-UHFFFAOYSA-N 445.321 0.978 30 20 ICED C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C2 1846376128 LSIUFXXQLXVDTC-OAHLLOKOSA-N 436.557 0.922 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512498 PAGRPCWEMHMGAL-FXUDXRNXSA-N 426.514 0.875 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sccc2c1=O 36801856 WPTOBOQXKWFMEQ-SECBINFHSA-N 433.515 0.987 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 410133626 ZPQOCRQCWAAUKN-VQHPVUNQSA-N 448.615 0.397 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)n2)c(Cl)c1 434570037 OGNSSIRPZWLPLJ-UHFFFAOYSA-N 428.880 1.317 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)s1 435420066 BAKMIMZMRNYZON-UHFFFAOYSA-N 426.564 0.859 30 20 ICED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 443824188 FPHHAFYFTLHPEU-HOCLYGCPSA-N 446.508 0.819 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 445526889 CPPGFUHQWKLJFQ-STQMWFEESA-N 428.461 0.948 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460611859 AMRNZYWMGNBZCT-UHFFFAOYSA-N 447.455 0.909 30 20 ICED N#Cc1c(CCCNC(=O)c2ccnc(S(N)(=O)=O)c2)nn(-c2ccccc2)c1N 484249219 ALTAHSCCIPGTIS-UHFFFAOYSA-N 425.474 0.731 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 489168814 FEITWGRCPGXBGO-UHFFFAOYSA-N 426.542 0.015 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 497582363 LXEDWRYIKPMUOU-IBGZPJMESA-N 430.505 0.930 30 20 ICED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502156647 LMRXASXPIMXYCX-CYBMUJFWSA-N 438.488 0.460 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 502487227 LEYFWRVHOMMRFO-UHFFFAOYSA-N 428.510 0.818 30 20 ICED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508360096 PHNXOPMDFQOCOZ-UHFFFAOYSA-N 441.492 0.919 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](COC)(C(=O)OCC)C1 508473100 NAUBVDNMYCXGQB-KSSFIOAISA-N 429.543 0.870 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)C1=O 522258703 KEKUYTBWCVLUBK-MRXNPFEDSA-N 434.880 0.806 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)cc1 534100134 UZITZQJMHJDUMU-UHFFFAOYSA-N 431.456 0.816 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 550483621 QFAUWGLSJBKYCQ-UHFFFAOYSA-N 426.565 0.345 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 552939381 IXJTVDBBSDAKSA-NRFANRHFSA-N 427.549 0.840 30 20 ICED CCCOc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 553327058 LSOSMAAOOWNDEY-UHFFFAOYSA-N 425.493 0.749 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCC1 558331082 WRAXVTIEGNJIQG-SFHVURJKSA-N 439.516 0.540 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 559829951 QNUKNCJVNJUPDH-UHFFFAOYSA-N 429.296 0.657 30 20 ICED CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 578583517 CMUBCWWHQGEWLT-UHFFFAOYSA-N 440.460 0.896 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 578826073 UGHNZCNSSMUKNB-UHFFFAOYSA-N 435.893 0.982 30 20 ICED COc1c(F)cc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 604195986 ZPEBIEYKGIPBRR-UHFFFAOYSA-N 433.465 0.640 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccc(Br)cc2)C1=O 604567749 DZOJPPRHUZSDQC-CYBMUJFWSA-N 438.234 0.756 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466164 LQRVCXYLRNGEDH-JVMRMLDLSA-N 432.525 0.241 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3c(cccc3N3CCOC3=O)C2)c1=O 743379039 HEAZRPFWEDUUTI-UHFFFAOYSA-N 439.472 0.516 30 20 ICED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)s1 758588695 IVNKAYCVAULSMD-UHFFFAOYSA-N 431.543 0.100 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc(C#N)ccc1O 759718615 ZJAHTDKOBRTWJY-OAHLLOKOSA-N 437.499 0.984 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c3ccccc3)c2=O)cn1 772286075 XSTXCOVMDAUTJI-HNNXBMFYSA-N 435.509 0.850 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778821605 GERGRPNMWFOUOE-GUYCJALGSA-N 431.474 0.697 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)[C@@H]1CCS(=O)(=O)C1 783478569 FOALDBZUXYJJLJ-OAHLLOKOSA-N 443.481 0.280 30 20 ICED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787776371 UPYXFZOUCCBPIC-ZDUSSCGKSA-N 430.490 0.348 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)n1 789793791 QSUSCEZGYKJDLI-UHFFFAOYSA-N 429.502 0.362 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3cnn(C)c3)c2=O)cn1 794613907 PCEONQBIMSIZAY-OAHLLOKOSA-N 438.513 0.348 30 20 ICED COC(=O)c1ccccc1N(C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 800754750 PJSYQVJZGTUJNG-UHFFFAOYSA-N 445.453 0.829 30 20 ICED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802678985 HRTIMCKPIZRHEK-IRXDYDNUSA-N 437.570 0.444 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@H]1CCCO1 809306834 VXBRYWRKTBHVTG-RBUKOAKNSA-N 426.517 0.683 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1 813985042 LABZJXZCGCWKPS-OAHLLOKOSA-N 428.426 0.792 30 20 ICED CN1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C2)C1 815746245 BZFQYFRILSFDEQ-XJQMLFBMSA-N 447.561 0.992 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)nc1 915774769 PVQOMKFBRZZPMO-UHFFFAOYSA-N 428.474 0.660 30 20 ICED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 915785272 YPPOWZCRKACWJL-UHFFFAOYSA-N 446.489 0.379 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC 917768925 OAXFWIFAVRUTLS-UHFFFAOYSA-N 443.525 0.747 30 20 ICED COc1cccc([C@]2(C)NC(=O)N(N=Cc3nc4c(c(O)nc(=O)n4C)n3C)C2=O)c1 920368660 YPYATOXVMGUMGG-IBGZPJMESA-N 425.405 0.182 30 20 ICED CCOc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1148538176 VTXLDFGINCTRAK-HNNXBMFYSA-N 444.517 0.763 30 20 ICED Cc1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1S(=O)(=O)N(C)C 1166660890 NVODQDGJWKRLHD-UHFFFAOYSA-N 445.501 0.722 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1221625043 KBNRIWIQOQYTTR-QGZVFWFLSA-N 446.895 0.847 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1315937279 VHLJFXKTJPCJQD-XLIONFOSSA-N 447.517 0.218 30 20 ICED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1318395863 UVLKLRMBRQMXAR-BMRADRMJSA-N 426.882 0.847 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1504264702 VYDMAJNVVKYPOT-QWHCGFSZSA-N 437.526 0.945 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1664352682 IXRGOVCJEXSAJY-GXTWGEPZSA-N 435.321 0.897 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1698483897 LLIHLXBELMKCNV-RTBURBONSA-N 437.472 1.000 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCO1 1711363309 NQWLIBNVWNHHFM-KRWDZBQOSA-N 437.504 0.814 30 20 ICED COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1730275204 IDQNGDOAMNRRKB-MRXNPFEDSA-N 445.549 0.679 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746460931 XDBASKWAEXREEF-OALUTQOASA-N 444.584 0.516 30 20 ICED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C3(C#N)CC3)C4)CC2)CC1 1780648569 IILGQWSUUWPWQT-XMSQKQJNSA-N 429.565 0.584 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1781271468 SXMJOCWWCMVWCQ-FOIQADDNSA-N 426.466 0.887 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963344 GBQFYRTXQBHIJB-HXUWFJFHSA-N 433.509 0.625 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4[C@@H](O)CCN4Cc4ccccc4)C3)C2)CC1 1782810123 KOBPJXDESPMMHF-SKPFHBQLSA-N 438.528 0.755 30 20 ICED 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)C1 1783557094 AKOZSHOUMCYZGV-DMPWYTOCSA-N 449.504 0.598 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787521491 YMHKBGXLHBCMTC-OZNDSPCESA-N 438.525 0.362 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111391 VSOFIFJQPDVVCW-WNHJNPCNSA-N 441.594 0.850 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21 1788628525 NKUBSECSOBMLAD-WDSOQIARSA-N 428.485 0.932 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cn5[nH]cnc(=O)c5c4C)[C@H]3C2)C1 1789173125 XXPJERUMCKRRKD-WBAXXEDZSA-N 425.489 0.891 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)ccc1F 1789971460 CBDQLVSGKXESCZ-IEZWGBDMSA-N 426.452 0.511 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21)C(F)(F)F 1790880089 FUEVJDXBEVPQJN-MJVIPROJSA-N 428.367 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(OC)c1)C2 1792491181 AEYXVTVHHSJMEP-IBRLJDPESA-N 431.464 0.896 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)cc1 1793612804 DMWBCAFKKDOGRD-OPMZPASUSA-N 436.468 0.271 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794318829 UQJFLUBLTPAJLG-NYCLONFESA-N 437.518 0.279 30 20 ICED 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(C)(=O)=O 1795793256 IPMFAUOTGXZAOE-FZKCQIBNSA-N 441.550 0.586 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCCO2 1796960803 AQFWAYARQDCSRT-HGKCTWBKSA-N 442.516 0.943 30 20 ICED CC#CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)c1ccccc1 1797876252 GQBPSGNAEHAGCB-XCRACJGTSA-N 441.528 0.836 30 20 ICED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)CC1 1799746366 AAKRBWFNLLEMHN-OPMZPASUSA-N 443.523 0.538 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O)c1ccccc1 1801120236 LSWRUWRVCNFGGO-VKDGWMQASA-N 449.507 0.698 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C 1801970025 VMXLBMKXPOZCFC-UYTYNIKBSA-N 437.537 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1 1802497534 ITZXITNBOUSSJB-LHTVMBCQSA-N 437.504 0.628 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804094700 LBQJBAOQRODMLH-CJNGLKHVSA-N 439.394 0.758 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1815062604 NFPFTWLPCAXPEV-SFPRDRPDSA-N 435.554 0.120 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cncn1)CC2 1819899712 YBALSHFURRLDLI-KZDCAYQWSA-N 433.494 0.876 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1824511580 LFUBZFXQUUSMOI-QUCCMNQESA-N 425.570 0.484 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)CC3)CCC1 1828009262 LRPFDLVYZKIRNT-JTQLQIEISA-N 438.473 0.794 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)CC1 1828491721 PXLJYNRVSOIEAK-UGKGYDQZSA-N 446.592 0.809 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3OC)C2)C1 1829769453 STEZWTDEXQFXOA-UFTUAFODSA-N 443.500 0.624 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1829902176 JWTDGENECCOBLW-NRFANRHFSA-N 445.545 0.574 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1830979549 DQDGVPQRINNCJC-WMZHIEFXSA-N 444.532 0.599 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1831265068 GAMLRIJRQSCXIC-OAQYLSRUSA-N 433.892 0.284 30 20 ICED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1831326382 QRJIWTPQZSSWND-RCCFBDPRSA-N 446.573 0.419 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831431225 BNZBKHSHIIGDBV-SJKOYZFVSA-N 447.414 0.485 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832353771 KLSUBMTZKFEANR-DVECYGJZSA-N 443.544 0.647 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359897 LNRJGPAJJTYUIQ-CKJXQJPGSA-N 439.578 0.552 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(O)O)CC1 1832916708 BVNCNNOPVFFXQC-DLBZAZTESA-N 437.537 0.833 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833094707 SWDZRCREAIUDOM-FQEVSTJZSA-N 448.612 0.755 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833844243 SAHHMHYYTUXGNR-NRFANRHFSA-N 440.460 0.079 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)ccc1F 1834032017 PCKKESNFCIZTNW-QFIPXVFZSA-N 439.447 0.800 30 20 ICED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C 1834579731 FYFLEHWBYRUNOK-QFIPXVFZSA-N 439.472 0.982 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)C3)C2)CC1 1835338556 LDDDLWAIRNZOMW-UZUQRXQVSA-N 444.532 0.538 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1C(=O)O 1835354235 QTPGSCUYLFEVLE-FQEVSTJZSA-N 433.465 0.536 30 20 ICED Cn1ncc2cc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)ccc21 1835416571 PGOUIXKZOZLMGR-UHFFFAOYSA-N 437.500 0.847 30 20 ICED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)CC2)CC1 1835481947 RSVZPSDZCPULNV-UHFFFAOYSA-N 441.580 0.319 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccn1 1835680248 FVBBAJABULRDIV-UWJYYQICSA-N 432.525 0.182 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440440 IXVGMEPTVMWZGU-DOXZCSRISA-N 426.583 0.869 30 20 ICED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486823 RCTNNDOZMOENTI-HSZRJFAPSA-N 444.532 0.497 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5snnc5c4)CCO3)C2)CC1 1838509887 LQIHVSAYTUTJAX-LJQANCHMSA-N 428.474 0.460 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579187 DRZDVRLOOUXSRZ-HXOBKFHXSA-N 441.484 0.675 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838798388 RJNGXWLWUAHBQU-JOCHJYFZSA-N 440.456 0.351 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)s1 1839034410 ICFSSCNZQUHYTD-HXUWFJFHSA-N 435.502 0.837 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1839361013 LQLKGVOEBNPNSL-QHCPKHFHSA-N 435.484 0.855 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782762 ILMMBNJHHLVBLZ-DBXWQHBBSA-N 440.562 0.788 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839889483 WTENQEXAXYTDEE-YJBOKZPZSA-N 427.452 0.582 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1839898066 CIWHCJLKAKEHHB-QFIPXVFZSA-N 441.484 0.890 30 20 ICED CCSc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040683 SUUOQWVEVTYYMK-FQEVSTJZSA-N 433.486 0.352 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049873 QBWVVIMJALADNW-GYKAXZBASA-N 434.537 0.482 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)CCC1 1840814637 TZRCKSLEHKPTMI-OAQYLSRUSA-N 428.445 0.574 30 20 ICED CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819171 UEICLRXSFMPWBB-JOCHJYFZSA-N 429.473 0.763 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NCC=C)C2 1847070322 MGZFCDROPNNVRE-QXPKXGMISA-N 444.532 0.965 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 29190724 FKCMDYDYEIKOEK-FQEVSTJZSA-N 433.534 0.793 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 57859697 ITIHEROVWBJWAY-UHFFFAOYSA-N 449.533 0.448 30 20 ICED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409503963 SQACUEHFQGQXAC-IAGOWNOFSA-N 442.925 0.641 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1=O 440237374 BUULHVBPVPBFDR-OAHLLOKOSA-N 429.477 0.340 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)c1 442018317 WBPZEGIUVJFBMB-GOSISDBHSA-N 433.424 0.838 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 446133350 XHQYSSUEQULZEP-UHFFFAOYSA-N 425.510 0.775 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 460574590 NVIVPGIKXAXLEY-HOTGVXAUSA-N 439.520 1.390 30 20 ICED COC(=O)[C@H](CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C1CCOCC1 460611001 ZLNPMQUAVBTKNO-MRXNPFEDSA-N 440.460 0.718 30 20 ICED Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([C@H]2CCOC2)n1 468246550 YWJDISNPTUXGRN-INIZCTEOSA-N 429.502 0.942 30 20 ICED COc1ccc(CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 481157745 QFDKQXIFVLLNAC-CQSZACIVSA-N 430.486 0.666 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCc2ccccc2C1 481505533 ALKXDLJRGKZPPD-HNNXBMFYSA-N 426.498 0.926 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1C 483696302 CHPBRMICKXNPOC-UHFFFAOYSA-N 428.424 0.663 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486511839 WZJQSSVIICRUPZ-IBGZPJMESA-N 426.521 0.511 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)n1 487177282 CZDSXQWNMZLWOS-VQTJNVASSA-N 437.504 0.978 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCCN(c4ccccc4C#N)CC3)cnc21 488854543 HPYBGKBVRGDYQM-UHFFFAOYSA-N 440.485 0.807 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CCN1Cc1ccccc1 501590561 AYVXEBQKSMQXAN-IRLDBZIGSA-N 439.560 0.840 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 512476113 XOWBQILWMBSCSG-LEWJYISDSA-N 432.613 0.697 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512872777 SAZNEGIFHREEST-UHFFFAOYSA-N 427.440 0.102 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nnnn1-c1ccccc1 513318866 FFFDXDDRTXPUME-CQSZACIVSA-N 425.474 0.560 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(F)c2)c1=O 520225942 VDWDDYNMIPDEFJ-UHFFFAOYSA-N 433.505 0.660 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccon1 531684001 KUWIFEJWTKFESW-UHFFFAOYSA-N 446.435 0.490 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(C(N)=O)cc4)CC3)CC2)o1 532974462 MZNLSNHWCYRJTO-UHFFFAOYSA-N 437.504 0.424 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543933850 WDSZXADHTXBWNH-UHFFFAOYSA-N 441.467 0.490 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 550790937 RQOUVMUKPQYXBE-UHFFFAOYSA-N 444.555 0.880 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)c(Cl)c1 553906178 DQQVVXXJUDLCGB-OAHLLOKOSA-N 429.908 0.987 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 557816911 BTZVBYCYVVVASA-UHFFFAOYSA-N 443.483 0.547 30 20 ICED C[C@@H]1[C@@H](N2CCCC2)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558138074 RTPZCECESFDYPD-QUCCMNQESA-N 445.589 0.950 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2SC)c(=O)n1C 562911856 RNFMGGCKDDRCAU-UHFFFAOYSA-N 449.554 0.452 30 20 ICED COC(=O)c1cn([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nn1 568690694 FXXFCKPWJRGZPP-AWEZNQCLSA-N 432.462 0.078 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)CC1 582201061 FPDNLBCXAJCVHC-LJQANCHMSA-N 427.549 0.466 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 585721901 RVWQVGKXYNPFGT-UHFFFAOYSA-N 438.488 0.775 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 588125025 UBFQIXJHGIMIMR-UHFFFAOYSA-N 432.956 0.682 30 20 ICED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 603839363 VGNJPMNXCTVUGT-MRXNPFEDSA-N 448.501 0.191 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604031753 GITZHCFFJSRCEE-LLVKDONJSA-N 439.437 0.501 30 20 ICED CC(C)CC(=O)N1CCN(C(=O)CCCCCNS(=O)(=O)N(C)CCC#N)CC1 608980818 OROSXLBJWNVWCT-UHFFFAOYSA-N 429.587 0.944 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1(C#N)CC1 619545962 GPCJEQBWUGXRMF-GOSISDBHSA-N 448.545 0.882 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)cc1 619725384 VQTXTOIFPKONKB-UHFFFAOYSA-N 440.528 0.414 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 727333643 KNAYEPSSJDRVOL-UHFFFAOYSA-N 443.529 0.333 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727406477 WCBWMORRWVULBX-UHFFFAOYSA-N 429.502 0.328 30 20 ICED N#C[C@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCS(=O)(=O)CC1 732910922 WETFELVGYWZELF-JRQWYPPZSA-N 435.546 0.675 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 735923699 WBGRKIMSUMUCSF-UHFFFAOYSA-N 447.966 0.189 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 742798073 ITUZZFPXNICGJE-OAHLLOKOSA-N 435.481 0.867 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)c1 743919711 LWNHPITXOYUEPO-ACNSNUFOSA-N 433.534 0.791 30 20 ICED C[C@@H](CC(=O)Oc1cccc(C(=O)NCC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 744145947 KMMFVRYCFCYQEJ-LBPRGKRZSA-N 444.469 0.324 30 20 ICED COc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(N2CCN(C(C)=O)CC2)n1 746196257 IRRFCTUKVRQMGU-XUTLUUPISA-N 442.476 0.614 30 20 ICED CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749745244 SNXCDFNLTIPFRM-JWADSYHNSA-N 442.563 0.667 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 753876261 YPXIIIGVKVROQH-SFHVURJKSA-N 438.469 0.944 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 755544892 GRKWDDRCBVTLTB-CJNGLKHVSA-N 445.476 0.755 30 20 ICED CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 755552334 NAMWHIQJFHJWCE-NHYWBVRUSA-N 441.444 0.726 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OCCC)c2)c1=O 758066670 ASBQMADYDBZXMG-UHFFFAOYSA-N 439.537 0.988 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(Cl)c(C)c3)c(=O)n2C)CC1 760375422 FWRAXMZUQVLVNP-UHFFFAOYSA-N 431.949 0.471 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 761030301 FXGHIKMTJXRJAH-INIZCTEOSA-N 446.451 0.776 30 20 ICED C[C@H](CC(=O)N1CCC(C(=O)NCCCO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 769335012 KWLKLURUYUGARN-CQSZACIVSA-N 436.534 0.241 30 20 ICED C=CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2cnn(C)c2)c1=O 771588835 SUZKOVACNPMVOY-UHFFFAOYSA-N 434.477 0.986 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 773346614 OCPBHBXFOAVIMJ-UHFFFAOYSA-N 444.488 0.833 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H]1CCCO1 775794245 HEAFJLKSYYAERR-QZTJIDSGSA-N 449.529 0.061 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nc12 781887983 HIWRVMUWUVZKGG-UHFFFAOYSA-N 426.414 0.479 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 783351503 YDKKTZITMXUENO-UHFFFAOYSA-N 425.532 0.531 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 783474754 IBBHNWBCAUPUOQ-QGZVFWFLSA-N 435.571 0.823 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 783478270 CDBPTHTWAPKGFT-OAHLLOKOSA-N 441.937 0.868 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 789147636 KIQMCFXOQIKDMC-FGZHOGPDSA-N 426.561 0.998 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287133 IQSDRXYSBLGOCV-AWEZNQCLSA-N 431.522 0.319 30 20 ICED CN(C)S(=O)(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 803399964 LLFFZRNXHUQMTK-UHFFFAOYSA-N 440.478 0.753 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 810898413 YJCIDWOWJDFDIM-NSHDSACASA-N 432.424 0.642 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 814145446 NCTMTVSDFYVIPE-QHCPKHFHSA-N 430.468 0.995 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@H]1CCCO1 815575316 OOZFRLYJLDWJSK-GDBMZVCRSA-N 449.410 0.924 30 20 ICED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC 912560061 GYGYIBWPVKJNCW-UHFFFAOYSA-N 439.450 0.883 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 918992111 SJNPBFQZJHPCPI-CQSZACIVSA-N 438.506 0.218 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCOC1 1117733580 MNPSPONEWYXZSO-CYBMUJFWSA-N 449.483 0.213 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1288816269 LBTBOSJGBVIGHM-UONOGXRCSA-N 444.583 0.453 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288872834 ZYDWJJKFJRUCDT-RYUDHWBXSA-N 439.464 0.111 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC(=O)N1C 1291278950 FKRNODJMRIOAMU-OAHLLOKOSA-N 437.504 0.922 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314941369 HYCHAOZCDXKCOH-GOEBONIOSA-N 449.581 0.129 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H](C)[C@@H](C)C(=O)N2CCC(C(=O)NCC#C)CC2)CC1 1325280182 VOBMGUQDTXCQEW-QZTJIDSGSA-N 442.560 0.235 30 20 ICED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475454106 XWNIYDFTNIQFKO-VIFPVBQESA-N 426.289 0.772 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1508376383 UKWMURRRLNNDAT-IBGZPJMESA-N 437.504 0.684 30 20 ICED Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1543411036 WXVUASQQSTYHKM-WBMJQRKESA-N 437.526 0.860 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613422718 FHJMKXFZUKNOOG-NVXWUHKLSA-N 430.557 0.898 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1620346889 JNSUXBYQPGVAQK-YOEHRIQHSA-N 427.502 0.901 30 20 ICED N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1620353661 QQVJZGBDDGLKOM-OAHLLOKOSA-N 435.510 0.630 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](C#N)C3)CC2)c1 1654740623 YVXQAZUXFKBUKV-INIZCTEOSA-N 436.534 0.772 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCOCC1 1706869358 OZSNVEDVHYPQQG-HNNXBMFYSA-N 440.570 0.950 30 20 ICED 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442.516 0.500 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2)c1cccs1 1840535729 YTCCOKRAVNSOEY-HXOPIXBZSA-N 434.514 0.980 30 20 ICED Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)s1 1840813128 GEJZZSZYXQQPLZ-HXUWFJFHSA-N 433.534 0.929 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)[nH]1 1840818619 MAUMEOCAHIBTNN-JOCHJYFZSA-N 439.472 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccccc2)C1 1841328177 TUHMCUBANATSLS-DSOJMZEYSA-N 436.512 0.921 30 20 ICED Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2c1=O 24185858 WOFYYBLCCHTUQR-UHFFFAOYSA-N 437.481 0.952 30 20 ICED C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409484851 MJGJAUTYFVRLRR-YOEHRIQHSA-N 428.536 0.688 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)o2)c1=O 440382998 MQCYVLZSZJDSCB-UHFFFAOYSA-N 425.514 0.452 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@](C)(NCC(=O)OC(C)(C)C)C3)CC2)o1 440517129 VBYHXJSLOWJRGM-JOCHJYFZSA-N 446.552 0.899 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 447465585 YXSKABMUJJRKIP-CQSZACIVSA-N 445.277 1.419 30 20 ICED CN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)S(=O)(=O)c1ccc(C#N)cc1 448265185 CSEDERWYTJXDEN-HXUWFJFHSA-N 442.541 0.714 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](n3cccn3)C2)CC1 463432846 IHDGEUQBBSYFHY-SFHVURJKSA-N 428.518 0.535 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 465418867 VILIRSBLLKLIIK-MRXNPFEDSA-N 437.504 0.964 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 491049387 KJNUUZPVXXAXQC-UHFFFAOYSA-N 429.521 0.457 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)cc1 501239983 DTUWIAFJYVIJLW-MRXNPFEDSA-N 436.534 0.949 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2F)c1 504852900 OKIVKYTTYWRXDW-UHFFFAOYSA-N 440.431 0.878 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508472665 LATGYVAEZDNIGC-KRWDZBQOSA-N 433.557 0.363 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 521590966 ZFFCDLLJHZMPFA-CYBMUJFWSA-N 442.881 0.050 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 533379579 UBSQWQYGTWYRBB-NRFANRHFSA-N 433.578 0.699 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 548618513 OSNKYVVEQKJXGN-OAHLLOKOSA-N 449.488 0.764 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 550372268 ICQAJEQDUPNDDF-UHFFFAOYSA-N 438.463 0.596 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 551158953 ZDNCDSRVLGVMAJ-NRFANRHFSA-N 448.527 0.792 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 555782569 SLHJUHMBNLJULL-LJQANCHMSA-N 439.520 0.444 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)CC1 557362867 HSRHJMXUZSGNHB-GOSISDBHSA-N 431.537 0.288 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 557746810 FLFKLVNZJDJPKM-UHFFFAOYSA-N 436.457 0.327 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 561218191 AHLQNFBATPGDEJ-DLBZAZTESA-N 427.548 0.697 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 579138970 ZZFHHFPCKZDVIY-IRLDBZIGSA-N 440.592 0.613 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 581876720 QCVLNUWCERARPN-KRWDZBQOSA-N 439.495 0.865 30 20 ICED CN(CC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1)S(=O)(=O)c1ccc(C#N)cc1 590381846 LMJJQODVGGXDBV-INIZCTEOSA-N 439.501 0.934 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O 608910758 ITNOBXLZIUXWEV-UHFFFAOYSA-N 442.541 0.458 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610808671 WVZWKDPIMKRGLG-NSHDSACASA-N 440.478 0.328 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 684535112 IFGLSLKTLTZNPF-UHFFFAOYSA-N 429.546 0.894 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cncn2)cc1 727713180 XTDZRMBTNZPOPA-UHFFFAOYSA-N 439.457 0.061 30 20 ICED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)c1C 728557288 JPBDUQPQVNUOAD-UHFFFAOYSA-N 444.557 0.356 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(C)C 732795588 NWQRDWNALVCZEF-UHFFFAOYSA-N 431.562 0.999 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 733150547 NEMBXCKBUUVAFT-UHFFFAOYSA-N 432.546 0.296 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCOCCS(C)(=O)=O)cc1 743113902 JVNBNEWMMRPLGH-SILNSSARSA-N 446.551 0.682 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 747993289 DCNCYBVSTMCQQH-UHFFFAOYSA-N 427.490 0.311 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)OC)CC2)cc1C#N 752410191 CBSDWFPNCDONHZ-INIZCTEOSA-N 432.433 0.838 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc2n(C)c1=O 754378508 GZQVPUKTYWNAMI-CYBMUJFWSA-N 428.449 0.217 30 20 ICED C[C@H](CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 757142853 ZZUXYLARSSHANB-VNHYZAJKSA-N 442.563 0.338 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cncs3)c2=O)c1 767882964 KLTAPBYSIOLADK-UHFFFAOYSA-N 436.518 0.602 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 769171424 GBDJRJNQECTYLP-UHFFFAOYSA-N 431.426 0.805 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 779033239 PNNQZWJVOVIECX-MYVXHDQYSA-N 434.478 0.267 30 20 ICED COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 784948617 OMSJNGUQYWNLQA-KRWDZBQOSA-N 437.518 0.998 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 785286570 OIQXXPVUUSXTAG-NXNVCVFFSA-N 432.404 0.728 30 20 ICED Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 785558974 KDBIXTOAZDVVIU-FQEVSTJZSA-N 436.516 0.980 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)n(C)c1=O 786545504 CPMRHVWJIJGSJE-AWEZNQCLSA-N 442.863 0.502 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CCN1Cc1ccccc1 787111110 XZNGTKJFAFYRIV-VXKWHMMOSA-N 439.560 0.983 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)c1 794643952 UZDXGOIMTHMZNP-IAGOWNOFSA-N 427.526 0.784 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCn2cnc(C#N)n2)C1=O 795184366 ULCWILNGUSAOOD-AWEZNQCLSA-N 427.446 0.646 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)nc2)cc1 803254329 BOZLDPIKMWZRLN-UHFFFAOYSA-N 438.483 0.989 30 20 ICED COCCN(CCOC)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 803556332 FOMLHPOFRUTAND-UHFFFAOYSA-N 438.550 0.311 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 810987543 PFGVSBOGOVKRER-UHFFFAOYSA-N 430.552 0.684 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)OCC)CC2)cc1 811829360 OJFOZODYMLYHSE-UHFFFAOYSA-N 436.486 0.557 30 20 ICED C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812082214 HBXQOLHYJANXJO-KRWDZBQOSA-N 442.505 0.194 30 20 ICED COC(=O)c1ccccc1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821735995 OZAQWSMGCOCIRJ-UHFFFAOYSA-N 431.426 0.694 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)n(Cc2ccco2)c1C 915393506 DACXHLLWZKXKLD-UHFFFAOYSA-N 439.428 0.660 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 916774432 NUQPGPFIJDAAOD-UHFFFAOYSA-N 441.512 0.759 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1299133823 MEFZICUMXLTTII-KRWDZBQOSA-N 425.493 0.540 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1305149717 OPDDJELQZCSCAJ-AWEZNQCLSA-N 431.522 0.375 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1463732938 JVUKCOKATLLTJH-ZACQAIPSSA-N 444.554 0.850 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1507854133 NEHPOCHYKRESEQ-GFCCVEGCSA-N 431.950 0.635 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1515957819 YBDXZDXJKJAVNX-CQSZACIVSA-N 426.481 0.816 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1555807536 YIXMYQWFERAZDO-INIZCTEOSA-N 437.547 0.875 30 20 ICED CN1CCO[C@H]([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1564482830 LLWQAUDWMVAYHA-DLBZAZTESA-N 446.895 0.845 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692856310 WRNJBCHIANPRMW-MGPUTAFESA-N 428.518 0.953 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1712711482 OANFOZARWUSJFB-KRWDZBQOSA-N 443.533 0.567 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1731183533 ZZBXHIOUWXFFPT-IIBYNOLFSA-N 441.467 0.487 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC(=O)N1C 1743316530 XZNUTVWCWPBIPK-OAHLLOKOSA-N 437.504 0.922 30 20 ICED CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766865773 YRERKCCGPZVHIA-MRXNPFEDSA-N 437.508 0.301 30 20 ICED CCn1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1766960479 SIWNBCXJRXUGAO-INIZCTEOSA-N 434.460 0.884 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1768464856 XENRRQXDKVTCOV-UHFFFAOYSA-N 448.535 0.709 30 20 ICED O=C1NCc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)ccc21 1779018775 GNRVATVJJFUKDB-RWOVVYLESA-N 439.516 0.845 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1779104716 DQEJDDHMDVZCJC-DRRDTLGUSA-N 436.509 0.358 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779105581 KXUHPGPONSQZMW-FFDKCQITSA-N 445.516 0.949 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137116 REWYZEQXSRDOSM-XWRADEMYSA-N 429.477 0.685 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779139775 JFBZZLXEUXISQK-SZZBOLBSSA-N 440.382 0.979 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)no4)C3)C2)c(C#N)c1 1779676870 GKKGBZRSXIGWLT-NRFANRHFSA-N 426.429 0.947 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311840 PBKKIMNOYMQPRP-VXKWHMMOSA-N 435.521 0.914 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C[C@@H]32)C1 1783466548 ZVIGJTPLMQFHDJ-ZVZYQTTQSA-N 430.461 0.702 30 20 ICED Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)c1F 1785763029 XNCHRAVVHKVGSX-VDTLCNNRSA-N 437.472 0.980 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786700991 BGLKUNDGSAGUIE-DKIMLUQUSA-N 448.520 0.848 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c(C(F)(F)F)n1 1787199705 XNAFGIQOASKIPH-BPNCWPANSA-N 449.393 0.997 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790567656 QNEXJWRFHKFNMT-ULQDDVLXSA-N 426.583 0.433 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1792128657 BVFNDIYDDSTIFC-BZSNNMDCSA-N 434.537 0.152 30 20 ICED C#CCO[C@@H](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 1793340511 XWRJALSYSXSHDD-TXTZMMAHSA-N 437.537 0.775 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1796444240 IOLCMCRUURYZNL-BPNQKZMOSA-N 428.470 0.886 30 20 ICED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1C 1798322570 LODUFKSHUZLEQX-UPHUGPLXSA-N 428.533 0.884 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2 1799301689 GZHZRBJDXYBLRL-NBMJBFSESA-N 437.537 0.636 30 20 ICED CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327807 YSXIVNSAUZYEPW-JPULYRFTSA-N 435.521 0.988 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1799682067 BYCXTIHHRSCWMG-ZMMAXQRCSA-N 444.488 0.605 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128015 CJOFGXDADNPZSJ-QXGSTGNESA-N 435.594 0.876 30 20 ICED COc1ccc(Cl)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800781037 FBFJEQPWPZLAIC-OYHTYJOISA-N 438.839 0.708 30 20 ICED O=C(CCn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801391292 VZYGIPJNXDIGTR-UPHUGPLXSA-N 427.892 0.963 30 20 ICED CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)n[nH]1 1801989272 HUNDJIGWOJDDKE-VPTLXERWSA-N 437.456 0.766 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803607253 AVFCEZHCZUQKQC-YSGRDPCXSA-N 430.530 0.967 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)CC1 1805954233 RXAMTBYTBLLHEO-DLBZAZTESA-N 427.567 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810246183 UIEQVEFJWFEJDA-BXWFABGCSA-N 443.504 0.212 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810332108 RDUNHNCUXUHXIQ-NNMXDRDESA-N 438.528 0.922 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810386901 DBAKUUQPRNVMDD-DQRITNLHSA-N 425.445 0.908 30 20 ICED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1814108277 VCTTTYQMYQHQBR-ZJOUEHCJSA-N 429.473 0.996 30 20 ICED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)C(=O)C(=O)O 1817319385 AMFNEIXARIVKHY-AWEZNQCLSA-N 447.496 0.227 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1819715984 DZNPHZXWFMMOOB-WFASDCNBSA-N 431.518 0.885 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1829781699 DQYBGEADNHHZRZ-IERDGZPVSA-N 441.525 0.500 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830052924 AXTITSKCSNTGFX-UZUQRXQVSA-N 446.548 0.784 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1830056163 OZFOZEVCBZTECZ-NRFANRHFSA-N 430.461 0.473 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1830464499 HOIZPLWUQYSORZ-NZQKXSOJSA-N 427.501 0.984 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831388781 XHUCOLOKQXYPPX-JTSKRJEESA-N 432.473 0.266 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1831391282 MEMZXDILQBUPTF-JTSKRJEESA-N 434.464 0.699 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1831404522 PWAJAQBMKXMDRO-WIYYLYMNSA-N 425.526 0.340 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n(C)n1 1831484904 IINGJQNOGDZKCK-LPHOPBHVSA-N 426.539 0.453 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831602911 HFXVEGUGHBXSQK-JGZIUXITSA-N 449.529 0.455 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832463123 OQBYYNIQMXGSJO-RDGATRHJSA-N 437.540 0.913 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832767715 WJIOMVMTGSNKJA-WZONZLPQSA-N 447.532 0.662 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833865125 QBLKTIGOYPCKNA-FQEVSTJZSA-N 428.449 0.012 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)COc3cccnn3)CC2)CC1 1836859801 FONJBTFOJOAERN-KRWDZBQOSA-N 430.505 0.892 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836866677 JPZCJAKOVMRRAF-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155278 DRRLKGJNVVAGQA-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837399083 NCLJDZREUINKLL-ZOFPFIKPSA-N 436.553 0.488 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837441999 LGXBGIKRXLMPPP-PWYGXMRTSA-N 444.536 0.337 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837512378 JKNTXQCRACHDQJ-AVRDEDQJSA-N 439.553 0.086 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837531241 ZWEWYFJXJPDUAQ-XILVHTRDSA-N 438.456 0.753 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1Cl 1838598252 XUIIOYIAASRGQY-HZUJVAHNSA-N 448.907 0.004 30 20 ICED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)(C)C 1838732809 BEXNLADYKYWAER-GCJKJVERSA-N 445.520 0.507 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1838908686 NAERKAQHEYZFTH-FQEVSTJZSA-N 442.501 0.539 30 20 ICED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1839061658 HCGZSNKVZAMZPL-XUZZJYLKSA-N 440.544 0.899 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1839176306 HCFNBPZCJBWEDK-NIKGAXFTSA-N 432.876 0.877 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1839420402 HPDAMKSEOJCPMK-OAQYLSRUSA-N 427.436 0.664 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CC4)CCO2)C1 1839610103 VTCIQRCOHBGMNC-SPLOXXLWSA-N 433.530 0.960 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839648114 STEOWBRACMDINS-YTIHOSAGSA-N 444.463 0.807 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840180600 FGLHSZDWCAUHOT-VXKWHMMOSA-N 445.472 0.244 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840277454 BVBOLXIBMAWEGP-JOCHJYFZSA-N 429.473 0.776 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840382579 MVCMEWIJYJTRCJ-QFIPXVFZSA-N 446.552 0.402 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840488744 YPTPFEPKMQMGAQ-FQPQFMITSA-N 445.520 0.067 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)ccc1F 1840538132 YAHKPXNMEVJEQM-VGSWGCGISA-N 431.464 0.733 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)CCC1 1840813140 GYKUODXYZGTRJS-HXUWFJFHSA-N 433.440 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1841599691 HYEWQJSHSDPRBH-IKGGRYGDSA-N 435.521 0.598 30 20 ICED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196921 CTTCYRGALCVKAZ-XOBRGWDASA-N 435.477 0.038 30 20 ICED COc1cc(/C=C\C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCC#N 33626045 OMEYCEOAOMINJR-ALCCZGGFSA-N 428.401 0.016 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)Nc2ccn(CCC#N)n2)cc1C 429807657 VPPHDENRACGBDT-INIZCTEOSA-N 432.506 0.965 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCOC1 441925226 NBBQUZNTUPSUGI-OAHLLOKOSA-N 442.497 0.882 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443298602 UVYWBDKEENPDPX-GFCCVEGCSA-N 441.366 0.249 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446517204 DUMQDGPGWAIHQM-CWLKWCNXSA-N 429.498 0.688 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460597476 FFJHRQXPQDCXKS-UHFFFAOYSA-N 431.456 1.104 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 463686731 PZHXHRJNYZILPH-UHFFFAOYSA-N 440.459 0.732 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3C(=O)CCCC3=O)CC2)cc1 465156584 HSHSOUFNFNJJST-UHFFFAOYSA-N 432.502 0.614 30 20 ICED CN(CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C)S(=O)(=O)c1ccc(C#N)cc1 472731514 DFAIZTVLCBSMIR-IRXDYDNUSA-N 448.524 0.641 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCc3nnc(O)cc3C2)cc1 477862808 ROUHUDSKUKGEOA-UHFFFAOYSA-N 431.474 0.512 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3nc(N)no3)nnc12 478877431 XINXFQPWJJYQRD-UHFFFAOYSA-N 426.462 0.646 30 20 ICED CCOCCOC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483370031 GHICTXYIWXBNPI-SFHVURJKSA-N 439.534 0.489 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nn1CCC#N 504430610 CXUKIWYLCHJYBT-MRXNPFEDSA-N 429.525 0.635 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506932478 SUOOUIMWJWAMHC-UHFFFAOYSA-N 435.481 0.783 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 536977902 NRRKESBLSFOSTO-UHFFFAOYSA-N 449.493 0.412 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539206042 PNAFPRYULUEQDV-HNNXBMFYSA-N 429.525 0.603 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCCN3C[C@H](C)O[C@H](C)C3)CC2)C1=O 540257588 YFAYGWARMKREIX-IYBDPMFKSA-N 436.509 0.080 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 553561575 MPNLQZQKGFEKPY-SWLSCSKDSA-N 434.440 0.604 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)CN1CCN(C)CC1 560017831 WSFQUNUBIXQHBD-GOSISDBHSA-N 427.549 0.928 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2=O)cc1 563748509 UUTHBPXNEHGXPF-FQEVSTJZSA-N 435.484 0.713 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 564476600 WWSQEBPHFUIUMM-HNNXBMFYSA-N 438.492 0.136 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 567878914 XONOWYRRYQHKSJ-UHFFFAOYSA-N 428.470 0.655 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccc(C(N)=O)cc1 572467788 XLORMMXNCHSWTM-UHFFFAOYSA-N 448.504 0.564 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1OC 579171736 PSDXESKUGDWYKK-QFIPXVFZSA-N 443.504 1.575 30 20 ICED C[C@H]1CN(c2nc(N3C[C@@H](C)S(=O)(=O)[C@H](C)C3)ccc2C#N)C[C@@H](C)S1(=O)=O 579419863 UAAQYULJJCEHJD-TUVASFSCSA-N 426.564 0.977 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1=O 587658565 BDLNGMUTAVUPND-MRXNPFEDSA-N 426.521 0.754 30 20 ICED COc1c(C#N)ccc(=O)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 590585075 PHKWMPDDYCNPJT-UHFFFAOYSA-N 432.458 0.388 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(OC)c3)c2=O)cn1 732563393 WXJMANKYPCQXBH-UHFFFAOYSA-N 435.509 0.906 30 20 ICED N#C[C@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 732910406 PLDJHLFOTFEMIV-OVKVCFKUSA-N 443.525 0.904 30 20 ICED CCOc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@H](C)C2 737306701 OKVCPWYHKCVRKH-AKDSAVJFSA-N 428.445 0.990 30 20 ICED Cc1nc(CN2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 742646025 DBFIEVRRPGNXKX-ZDUSSCGKSA-N 432.506 0.540 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OCC)c1 743729792 IDDNIOYRXCRHKE-UHFFFAOYSA-N 435.509 0.836 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)cc2SC)c1=O 758079483 LFEBQKVICFOFJE-UHFFFAOYSA-N 429.523 0.531 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 761230762 KKXWRNOCFNHOBN-DLBZAZTESA-N 449.481 0.505 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@H]1CCOC1 762134438 QPAZTZURGSFTDE-ZFWWWQNUSA-N 443.547 0.622 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Br)c2)c(=O)n1CCOC 767953561 SDTAEZMHQAMUDV-UHFFFAOYSA-N 436.331 0.876 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)C1 771075305 HSQUVFABHYXOMX-AWEZNQCLSA-N 444.535 0.832 30 20 ICED CCOC(=O)CON=C(C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1cc[nH]n1 772550541 XKPOMXCEICGCQX-IBGZPJMESA-N 428.405 0.192 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 784462427 RFQKLKPAZQJXPF-QJOMJCCJSA-N 449.533 0.567 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)n1 789794736 JNMLCTREZKVSBA-UHFFFAOYSA-N 436.516 0.891 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)c1 791983969 TUOIHPJFSKYGRU-ULQDDVLXSA-N 432.502 0.501 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(CC)o2)c(=O)n1CCOC 800847267 VTMQHMLYDGELRS-UHFFFAOYSA-N 447.513 0.527 30 20 ICED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(N2CCOCC2)cc1 803298245 RRUILDOTRFOHMN-OAHLLOKOSA-N 439.520 0.969 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1C 804963825 VBTMVYVSTMJEAQ-UHFFFAOYSA-N 431.474 0.548 30 20 ICED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1 806931148 NSYNRUSTDADHHA-AWEZNQCLSA-N 430.461 0.695 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)[C@H]1CCS(=O)(=O)C1 807002457 KVLTZNUUELKYLD-NSHDSACASA-N 425.850 0.258 30 20 ICED CN1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C2)C1 815746242 BZFQYFRILSFDEQ-ABCSWIFBSA-N 447.561 0.992 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)OCC(F)(F)F)CC2)cc1 917495072 LSDNNBAWLZUJSW-UHFFFAOYSA-N 434.396 0.680 30 20 ICED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 918270054 STOWUDXPNBZBOG-UHFFFAOYSA-N 449.515 0.437 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1288526400 UWQZMZPRVLAZMS-HOTGVXAUSA-N 425.559 0.445 30 20 ICED C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303627402 JYCAIXCYLCLQQH-CABCVRRESA-N 446.537 0.945 30 20 ICED N#Cc1cn(CCNC(=O)CN2C(=O)COc3cc(Br)ccc32)c(=O)nc1O 1453846543 VGUJZUQOBARZAB-UHFFFAOYSA-N 448.233 0.125 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1513975763 SLXHNJRHBDJBJZ-RDJZCZTQSA-N 428.518 0.966 30 20 ICED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1697802140 IWVCYXWVNUGLLR-KBXCAEBGSA-N 444.533 0.773 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1711020400 PIDNEOBWVUTSBX-UHFFFAOYSA-N 445.549 0.800 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712882654 JUTOPMSDKLWBDN-INIZCTEOSA-N 440.595 0.901 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722555894 NFVSRCGVKKCLIM-GJZGRUSLSA-N 432.978 0.894 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1722870672 VRBNSANWVOWEGG-GDBMZVCRSA-N 436.542 0.183 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1740802840 OHLGUBLTBKFGRZ-CQSZACIVSA-N 432.978 0.942 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ncn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778368541 JCZCRITYZXPOBN-JOCHJYFZSA-N 443.504 0.711 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1780734517 QYUJAMYTMYJSBW-IIBYNOLFSA-N 438.525 0.281 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1781268319 NHVOCCZZPMKTFO-OAQYLSRUSA-N 443.460 0.388 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782268566 DGRVMEWYBHUGRZ-DRSNIGMVSA-N 435.521 0.536 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1783160118 YVQUESIEVMRTQG-FDDCHVKYSA-N 427.501 0.985 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(OCC(F)(F)F)n1)CCO2 1783558511 ZDWJKBLNNKOKLB-GOSISDBHSA-N 441.362 0.554 30 20 ICED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568379 WCZRWDYKRNDSGJ-VFNWGFHPSA-N 437.493 0.598 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1784534762 XPQHPDSUKVYXCS-CGBFIWBNSA-N 426.627 0.558 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1786857750 BWHZIRZHJMDXSF-FHWLQOOXSA-N 428.537 0.671 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccccc4C(=O)OCCO)[C@H]3C2)CC1 1789250296 UZFOCKIAVDTGLR-SNRMKQJTSA-N 441.484 0.733 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1789890692 FAPHNGUIOUCXEE-IEZWGBDMSA-N 431.489 0.488 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)c(O)n1 1789914526 VHLFAIZHFMCSMA-SNRMKQJTSA-N 433.505 0.508 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1793346216 DMDGWIWHOLKPOY-FRQROOTJSA-N 444.513 0.367 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1793569792 GCDPAPNKAWHNDZ-UYTYNIKBSA-N 437.537 0.939 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794386217 GDPUXGOBCRTGTK-FQLMCAECSA-N 449.533 0.658 30 20 ICED COC(=O)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795601048 OYEVMLPZPWAEAM-MTHXSQLBSA-N 448.564 0.837 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)n(-c2cccc(=O)n2C)n1 1795934388 MFEQXVPRTCHSBM-BKEDOTJMSA-N 445.545 0.401 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1797712400 GHUIVGGTECSXEV-JTJHWIPRSA-N 443.544 0.888 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1799391590 OJHXKVGAIIQRAR-DEPYFDJDSA-N 439.538 0.179 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800027910 HUSOZRCTXXRFDQ-IBRLJDPESA-N 438.484 0.243 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1801994497 MWUJUQJUSZKBHK-YNVMFWSZSA-N 447.513 0.104 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803914044 VUAJVCHJOQXACN-RADWXHQJSA-N 440.500 0.994 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808816545 SIHUTTIZRREDBG-INIZCTEOSA-N 427.505 0.510 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810284451 ORNHWGNVJHKECG-KGOJFESUSA-N 442.564 0.891 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)C(=O)C(=O)O 1811894203 SQQXKTDARKWKSR-AZUAARDMSA-N 449.467 0.816 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1828268348 WMPNCPUUNJAABU-TZMCWYRMSA-N 440.481 0.962 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1830748512 RJASUCTUWPCHSF-DOWNOZBLSA-N 433.505 0.474 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1831402725 PXAYMADHBOXVPX-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831438052 KYTFTQVRODDLSB-GCJKJVERSA-N 434.537 0.627 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834492408 IUIOLOVCJOVEID-OAQYLSRUSA-N 426.429 0.695 30 20 ICED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835626114 MVRKGWMARTZINE-UYYUJSNXSA-N 431.449 0.347 30 20 ICED Cc1ncsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673248 ZEWSJBGBANVQSX-HXUWFJFHSA-N 435.550 0.803 30 20 ICED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)ccc1F 1836409200 STPTXAUVPHRDAH-FQEVSTJZSA-N 430.528 0.097 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944045 HNXWKRNQZNKJBS-HTAPYJJXSA-N 443.504 0.699 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1)C(F)(F)F 1837319494 AHLGPYSFALFBCY-AWEZNQCLSA-N 448.316 0.667 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1837477319 MJPVNNUUKGWRKY-CBGDNZLLSA-N 433.509 0.325 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838423304 NGNNUQNZCBDOKX-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CCO2)C1 1838589186 MKFZVTPTDTYQOE-HKZYLEAXSA-N 449.529 0.794 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)c1 1838906020 MDBJHIYHTUZYRV-IBGZPJMESA-N 437.399 0.738 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1839172586 WAYKSSWUZASCNW-IBGZPJMESA-N 430.448 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839226222 JGOCICJCKXTNTK-AOMKIAJQSA-N 446.504 0.656 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4ccnn4)C3)C2)c1 1839453488 NXVNIZTYCYMLLM-JTSKRJEESA-N 438.488 0.789 30 20 ICED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)COC1 1839485958 FMRYZEVICFBJLS-JOCHJYFZSA-N 439.472 0.541 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nc2nccn12 1839547513 RWZKSASNSCDPJZ-NRFANRHFSA-N 426.477 0.658 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cc3Cl)C2)C1 1840039876 BYGOIZRXVKHXAZ-SFHVURJKSA-N 442.255 0.546 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C2)C1 1840176556 MPQATUBLXLRXOH-FQEVSTJZSA-N 441.500 0.978 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2)C(=O)O 1840820858 NBIIJZJJDNNLMP-RSAMLISRSA-N 443.456 0.424 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1846213421 GBOSVFLFLDWNHG-CHWSQXEVSA-N 429.539 0.965 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](N(C)S(=O)(=O)N(CC)CCC#N)CC1 409492738 RMQWCJLRWUPNKI-QGZVFWFLSA-N 448.615 0.733 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 409546191 TXUYTHHHSUWBQA-HNNXBMFYSA-N 442.563 0.922 30 20 ICED C=CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 429341910 SVWJAIDGRUNQQE-OAHLLOKOSA-N 436.542 0.753 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)cc1Br 433857405 DJTNDTUZXMRQBE-UHFFFAOYSA-N 445.320 0.973 30 20 ICED N#CCCn1cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(-c2ccncc2)n1 435130030 PKNHFJXIHZQXTD-UHFFFAOYSA-N 437.504 0.362 30 20 ICED C=CCOC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OC 435950480 RGYYCMYLXUKEIX-GFCCVEGCSA-N 434.561 0.960 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)OC 439451331 YEIRADRICLFIGD-INIZCTEOSA-N 440.522 0.224 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441941885 MUISSPVMXFPHIA-RDJZCZTQSA-N 440.525 0.140 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCOC1 441965272 XVLHBJUNIYOGLD-HNNXBMFYSA-N 431.489 0.351 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)n1 444503290 CHVYSAOPMMMLBP-UHFFFAOYSA-N 426.477 0.763 30 20 ICED COC(=O)[C@@H](CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C1CCOCC1 460611000 ZLNPMQUAVBTKNO-INIZCTEOSA-N 440.460 0.718 30 20 ICED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465405432 NZPAFXKRIXLROM-GFCCVEGCSA-N 425.405 0.941 30 20 ICED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471017932 KLWLUEPWLCUINF-UHFFFAOYSA-N 427.505 0.999 30 20 ICED NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c[nH]1 477643271 KMKRUTDMEMOSHE-UHFFFAOYSA-N 428.392 0.579 30 20 ICED COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480278264 YYEZFPWKPCUMJH-DOTOQJQBSA-N 441.531 0.536 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 486708399 FVLOGTFLFCVTMD-RDJZCZTQSA-N 431.424 0.758 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1O 488187907 WATYXHQEOHEMHP-RHSMWYFYSA-N 447.513 0.907 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 488638954 PWDUYNYWRWJQSB-GOSISDBHSA-N 438.488 0.874 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 490728110 FRQORZUWWWDRQN-UHFFFAOYSA-N 431.460 0.914 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 491505415 DHFRZEDRQOXKJQ-UHFFFAOYSA-N 429.502 0.607 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 493912432 ZUFHDETWSFYAQD-UHFFFAOYSA-N 428.518 0.934 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498957256 PBGBPGMVODAHKG-SZMVWBNQSA-N 427.592 0.427 30 20 ICED Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 516597604 GPAHUWPQDPTNPZ-IBGZPJMESA-N 447.499 0.223 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 521753886 RIDYBRQYUIOJEO-NVXWUHKLSA-N 436.534 0.800 30 20 ICED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C2)nn1 521917734 CDLPKTRHYSFDEO-UHFFFAOYSA-N 433.222 0.721 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 539234584 IFQYXWYUXLNGBZ-OTWHNJEPSA-N 426.583 0.347 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 541418396 SKFXARWBMPSBNW-GOSISDBHSA-N 443.504 0.287 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1CCOCC1 550277578 SYMBIXUKLVVXMC-VQTJNVASSA-N 441.532 0.643 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2=O)cc1 553976274 BMQWSPVFPJZQPK-GBESFXJTSA-N 426.473 0.576 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)n1 554354676 MOBCXRHADAGCTO-RTBURBONSA-N 426.521 0.361 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cnccc2C#N)CC1 567209947 BXZIEGCFUCHVJB-HNNXBMFYSA-N 440.529 0.700 30 20 ICED CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 585715294 KNRKTQPBUCSLEW-UHFFFAOYSA-N 426.565 0.544 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 589871864 DCTOVFABBZHDFD-UHFFFAOYSA-N 448.531 0.919 30 20 ICED C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613103425 FGFNHSHYTFJMKA-LRDDRELGSA-N 433.432 0.121 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2F)c1=O 619694999 KQRFZJJXTCEGQQ-UHFFFAOYSA-N 431.489 0.899 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 682276487 OIVJQMUFRQIENV-LJQANCHMSA-N 444.536 0.455 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCC(C(=O)N3CCOCC3)CC2)C1=O 726584278 DWLPLRMMOZRFID-UHFFFAOYSA-N 425.489 0.851 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 728531073 AIKQDPCMICKIAC-HXUWFJFHSA-N 440.544 0.588 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)CC2)cn1C 733681269 SCBJXWFSPDSHDE-OAHLLOKOSA-N 430.490 0.872 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)cc1 741454433 JETULVNHHNPKHB-INIZCTEOSA-N 435.550 0.831 30 20 ICED Cc1ccc(-n2nc(CCCNS(=O)(=O)CCS(C)(=O)=O)c(C#N)c2N)cc1 742277708 SDGLYEVTKGHJPV-UHFFFAOYSA-N 425.536 0.531 30 20 ICED COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743939703 GHVOYIXHAMFAJY-PFKVCDDJSA-N 440.522 0.606 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 745339439 XARUXVRCBRUSSV-ZRGHVXQMSA-N 447.491 0.667 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)c1 746268103 IAVMSYVRRYPRIS-UHFFFAOYSA-N 434.474 0.102 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746621111 VZBUGFNMIFQTEH-OAHLLOKOSA-N 436.534 0.601 30 20 ICED N#Cc1ccccc1N1CCC(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 749530154 LUUNZNJQICNJSJ-UHFFFAOYSA-N 427.486 0.929 30 20 ICED CS(=O)(=O)CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)cc1 749661792 AIPGBHVVYAZIFP-UHFFFAOYSA-N 448.522 0.611 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 749667660 VYGBJKYVVARIII-UHFFFAOYSA-N 429.477 0.024 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 756460651 OHCWIQSRDTYTNK-UHFFFAOYSA-N 439.881 0.842 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769636690 GAOOGAYFAYGYCG-UHFFFAOYSA-N 445.589 0.862 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 769744328 WXJCYPUIDKKDKH-UHFFFAOYSA-N 430.442 0.406 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 777836147 GAYGEKAQMFGPGD-INIZCTEOSA-N 442.497 0.961 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 785284794 MJUSRGZBMUVBDT-RYECPLHJSA-N 429.429 0.868 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1=O 798545809 IBWFGIQYBZCXFV-QGZVFWFLSA-N 425.482 0.706 30 20 ICED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)s2)cn1 800847998 MSXZPIGHCGYTDD-UHFFFAOYSA-N 445.551 0.443 30 20 ICED Cn1c(N)c(C(=O)COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 803867381 CMWNZDMRXDRYHQ-UHFFFAOYSA-N 443.435 0.319 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812273237 BBLWKQRGSWICJL-UHFFFAOYSA-N 447.488 0.066 30 20 ICED COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1265342563 WUSIISAYVZIGSA-MRXNPFEDSA-N 448.907 0.898 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286620339 JQBXRIIIBRANJI-ZYHUDNBSSA-N 431.906 0.910 30 20 ICED CCN1CCN(CCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1296204554 WTCRIDJLPPCCRT-GOSISDBHSA-N 438.584 0.991 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315737001 XMMGEFAHVBHWEM-VNQPRFMTSA-N 426.543 0.680 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1503361679 XULPDSLHUGYACM-SJLPKXTDSA-N 426.525 0.945 30 20 ICED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1503620252 RCSJVJCDACPJIS-UHFFFAOYSA-N 439.520 0.444 30 20 ICED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509217717 SWPXOZCIVKMQQE-AEFFLSMTSA-N 435.598 0.935 30 20 ICED COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518957916 WKMUGYHFDMWXDZ-UWJYYQICSA-N 431.541 0.478 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1554451849 PGSKWIVPXCYMRW-GOSISDBHSA-N 440.504 0.985 30 20 ICED COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1555572435 YSVBJOOEFANDJX-WBVHZDCISA-N 439.524 0.458 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cn[nH]c1 1608562892 DZASPXPZEWDFTQ-UHFFFAOYSA-N 434.508 0.975 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2nnnn2CC1 1638279149 YYBDLOUJAMJDIQ-HIFRSBDPSA-N 431.522 0.792 30 20 ICED Cn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cn1 1729577072 SGNVKVWUHDUGHU-QGZVFWFLSA-N 448.553 0.523 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777723178 VWWQOKWKOJXDGW-YLNCNTMDSA-N 435.484 0.932 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1778974937 UMKRCHKRPNEMHE-XAEMIUIASA-N 444.532 0.603 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1779004664 FGLXRYPBHKXYMS-QFIPXVFZSA-N 445.592 0.792 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCC1=O 1779061143 QDBGLNOWHGWRTB-JOCHJYFZSA-N 430.505 0.123 30 20 ICED O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccco1 1779105772 UTELQZGQXNZWRW-QNZROTIXSA-N 448.476 0.368 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1779311334 OGTLLHSOHRIUKP-REWPJTCUSA-N 442.516 0.472 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc4ncccn4n2)CCO3)c1 1780174429 UNGHTVFHAQDWRH-JOCHJYFZSA-N 447.455 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1781269394 OZFWEZAAPGSVSC-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@H]21 1783531569 WWUAIZFJJOOEFT-GRNXDFJHSA-N 429.521 0.985 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)c1 1783631322 PFGHONIIPKPGOO-MRHSLFKSSA-N 428.464 0.817 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1784020085 ZRVMVDWKOWXSGU-LYHRCORUSA-N 427.501 0.854 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1784484497 WHZRBARYWLARHO-FKKBTLCVSA-N 440.500 0.687 30 20 ICED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)no1 1785275491 VWUGRYBETDNUQH-LNLFQRSKSA-N 439.472 0.851 30 20 ICED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cn1 1786239874 HADMHHYJDBPXFT-AANOVAJESA-N 430.509 0.550 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786481371 KVMCSGXZJCTGID-FJIDUMEYSA-N 436.553 0.444 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788680143 QYVUZSOHECWRMH-XZGADFANSA-N 441.488 0.807 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1)C(F)(F)F 1789807929 UQTDUUGSZJWWEM-ULQDDVLXSA-N 444.498 0.865 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1 1790535700 WOIYDJROBZMFBU-BXWFABGCSA-N 439.520 0.833 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)C[C@@H]21 1790792506 PTDDEVFFZAJLJJ-AQBJMCTPSA-N 449.548 0.607 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791527043 VVLBWYVGNAYZTF-BOSXTWCSSA-N 442.564 0.776 30 20 ICED C#CCCC(=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 1792175261 KPDOPEVXMCRDSG-PJVZLEMVSA-N 449.548 0.750 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794329474 XZJXYHREOPZLAP-YVWYUNDQSA-N 438.440 0.178 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(OC)n(C)n2)c1 1798760199 ZADILCFMGGIHAN-CWPLJXCYSA-N 439.472 0.826 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCNC(=O)c2ccc[nH]2)C3)c1 1798858598 FGCTURINWXAXMP-RMFSNUHRSA-N 435.484 0.910 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CN(C(=O)OC(C)(C)C)CC3)C2 1800452371 HNASWOQQGNUQKL-CCWDJLKJSA-N 443.504 0.470 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC(C)=O)c(O)n1 1800530006 DHYVFTAUIYKUAM-AMVTXUCVSA-N 430.505 0.634 30 20 ICED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)cc1 1800542818 UETZGILAGUGSKW-MUJYYYPQSA-N 432.444 0.444 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809679157 QWNWVJKPFJYYLG-NZQKXSOJSA-N 425.533 0.665 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812529597 AQPXDYMZGAGHPR-YQVWRLOYSA-N 430.505 0.996 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@H]1c1cccnc1 1812875630 YXFXQPCIGMBLHZ-ZHRRBRCNSA-N 432.440 0.620 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)CCC1 1814055656 WRXYCMAUAYRADV-QUCCMNQESA-N 429.521 0.068 30 20 ICED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819844589 WYSUEMVYSXBQIH-AWEZNQCLSA-N 444.561 0.594 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)n1cnnn1)CC2 1822930829 VTKPEPHIDNQIQH-VXGBXAGGSA-N 433.494 0.812 30 20 ICED C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2)n1cnnn1 1826972092 KTYLSYDVHOIXGY-RYUDHWBXSA-N 431.526 0.585 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1830645690 BXGGHVPTXVZYDT-YADHBBJMSA-N 438.521 0.827 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1831387570 QSXZEPHTXTXREZ-WZONZLPQSA-N 445.516 0.518 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1831407393 XNZLBHVNCGGIJC-IRLDBZIGSA-N 432.521 0.521 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831425263 ATOTVZMDBMJYCO-SUMWQHHRSA-N 438.399 0.139 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1832457623 ZPYJSTXKGLOWMQ-FQEVSTJZSA-N 435.502 0.800 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833098550 SFBFQIINQJNZKA-MQMHFVAESA-N 448.612 0.944 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2)C(F)(F)F 1833315136 HLEOZXGRCBYGMB-SFHVURJKSA-N 442.394 0.369 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)N1CCN(C)CC1 1833428938 NHJOFIVVTGILPH-IBGZPJMESA-N 429.609 0.607 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1833438955 WEBOHKWZVFKSNK-OAQYLSRUSA-N 429.477 0.639 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833490462 NTZRWYDGSIUJTI-WMZOPIPTSA-N 427.615 0.105 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605070 AKLUYPOVEJLGFW-IQTGRTGDSA-N 429.429 0.422 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672684 FBCCCTXAECXCIH-PMACEKPBSA-N 433.597 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835063848 HGXYHXZXZROTHZ-FDDCHVKYSA-N 430.501 0.732 30 20 ICED CC#CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1835575448 QRZJZHCMTSIRBF-XXBNENTESA-N 441.532 0.123 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835712798 DHCPKNPRZFSSPK-IBGZPJMESA-N 434.581 0.754 30 20 ICED COCCOCCOCCC(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837636362 SKJYSTGZNXZUCT-UHFFFAOYSA-N 425.526 0.968 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1Cl 1838595891 INXWNNBXYDAOPP-FQEVSTJZSA-N 444.879 0.573 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)c1 1838736913 BRVKHBOJKJLIKF-OAQYLSRUSA-N 440.460 0.249 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1839173102 ABNIAQYAFHJBPG-JOCHJYFZSA-N 449.504 0.800 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=C)CC(=O)OCC)CCO2 1839173146 BQJBKAYXDWTPHF-JOCHJYFZSA-N 438.521 0.935 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1839176152 YKFAVECVEURDOO-DYESRHJHSA-N 434.493 0.410 30 20 ICED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487618 CHVGAKOQQSDLNZ-OAQYLSRUSA-N 426.477 0.066 30 20 ICED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839488086 WLAZHVDOJGOYGJ-NRFANRHFSA-N 427.461 0.541 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C2)C1 1839810921 YDBFUNNYXMDWTO-JTSKRJEESA-N 437.537 0.873 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1839811449 VKSRATDSWNWMQH-LJQANCHMSA-N 440.905 0.447 30 20 ICED Cc1ccc2oc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2n1 1840041856 LBTHXNBMELBAEM-OAQYLSRUSA-N 427.413 0.294 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840168092 GBIXVKNHDQHBTG-HSZRJFAPSA-N 440.500 0.929 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c1 1840420295 GTROJKTVALMFNT-HTAPYJJXSA-N 438.488 0.789 30 20 ICED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1840818555 JCOZWQVMSIAGOM-HSZRJFAPSA-N 443.500 0.820 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1840904805 XURJIUHIJXFLEA-JOCHJYFZSA-N 428.489 0.485 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1841055672 QDZRAWOZYNDILX-QWGSZXSUSA-N 425.489 0.262 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc3nc(Br)nn3c2)C1 1843128401 ASPRXMKGUWPSOL-UHFFFAOYSA-N 432.234 0.397 30 20 ICED O=C1NCCn2nc(C(=O)N3CC4(CCCN4C(=O)C#CC4(O)CCCCC4)C3)cc21 1844282191 LPLUHPBXOFDLAP-UHFFFAOYSA-N 425.489 0.142 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@@H](S)C(C)C)C2 1846256008 IOJQDJZTQGIKAX-SFHVURJKSA-N 432.583 0.840 30 20 ICED Cc1cc(C)n2nc(CC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2n1 31526152 AVLXXXAVAZFZCS-UHFFFAOYSA-N 439.501 0.688 30 20 ICED CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409528969 JREZTHJUFUNKNM-UHFFFAOYSA-N 437.566 0.912 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 429952318 KIMZHRLTDFUHTC-UHFFFAOYSA-N 428.514 0.974 30 20 ICED N#CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 431208632 OTWZJRBXRAQZEX-AWEZNQCLSA-N 426.520 0.967 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 435660143 RXKLYVTWVDKQNF-UHFFFAOYSA-N 437.497 0.901 30 20 ICED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 436122316 JBRCOIWINGSPMJ-IBGZPJMESA-N 432.546 0.623 30 20 ICED Cc1c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cnc2c1c(=O)n(C)c(=O)n2C 438937593 ZDSLMDCYTLFAIG-UHFFFAOYSA-N 430.428 0.704 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCOC1 441958666 QXMPRROAGIMJAN-MRXNPFEDSA-N 443.500 0.447 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c2)c1 442355449 NLNMRBQBECEPTC-CQSZACIVSA-N 443.481 0.605 30 20 ICED CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460602312 SDZXKJJCAUMYQD-UHFFFAOYSA-N 431.456 1.452 30 20 ICED Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCO2)n1 460717611 PWVYWYZHGFOGIK-QGZVFWFLSA-N 435.448 0.213 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)n(Cc2ccco2)c1C 471024824 FDQNVHWKAOMRKG-UHFFFAOYSA-N 448.549 0.463 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 476033607 NSRLHOAQKXRVKL-OALUTQOASA-N 430.530 0.381 30 20 ICED COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480296352 UKVNYSIIJGMNGH-IRXDYDNUSA-N 441.531 0.536 30 20 ICED CC(C)(C)C(=O)C=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N1CCOCC1 481038505 OEIFDABYUODDHE-UHFFFAOYSA-N 445.566 0.926 30 20 ICED COCCCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488259552 DYKLYVNAAIPCCJ-OALUTQOASA-N 448.545 0.894 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cc1 491155655 KVJCOIZJSVBLLH-UHFFFAOYSA-N 432.462 0.880 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)OCCO3)c1=O 502040965 HPGBFOCQKIJCSP-UHFFFAOYSA-N 449.492 0.185 30 20 ICED CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503629276 PJWQGUNFOGJTST-CQSZACIVSA-N 428.536 0.397 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 520684597 WFNBSGRPMXYSER-UHFFFAOYSA-N 443.548 0.642 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1-n1cnnn1 532313437 QUOPUDIPNGHIKI-ZDUSSCGKSA-N 432.448 0.308 30 20 ICED N#Cc1ccc(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl 532741250 VKPWBXYJGOUQOO-UHFFFAOYSA-N 433.896 0.543 30 20 ICED N#Cc1c(CCCNC(=O)NCC(=O)N2CCOCC2)nn(-c2ccc(F)cc2)c1N 540664707 FAKOBXWARNJYLT-UHFFFAOYSA-N 429.456 0.556 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O 542095051 ZSCUFUDKOIHMDK-UHFFFAOYSA-N 446.916 0.011 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)OC)cc2)CC1 544751418 BXWJPTCIUGPRIR-MRXNPFEDSA-N 430.505 0.423 30 20 ICED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546902926 VWYJYMHMEGPHED-UHFFFAOYSA-N 435.488 0.741 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 549333387 WDBWAOZOWBSINC-UHFFFAOYSA-N 448.535 0.898 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)ccc2OC)c1=O 557551937 DWBNXUMZOPTATQ-UHFFFAOYSA-N 431.489 0.876 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)cc1 558231568 LNOSAUNASOGVIG-VXKWHMMOSA-N 439.560 0.962 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 560779281 ZCXSSJYKQNECPZ-UHFFFAOYSA-N 447.538 0.966 30 20 ICED CCNC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 567301672 XLGLROXIQFVXHB-UHFFFAOYSA-N 426.481 1.059 30 20 ICED CS(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)c1ccccc1 589408835 CNQGBKCZWNPJLG-MRXNPFEDSA-N 438.469 0.980 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590897357 OEFPJYLXQWMZPB-UHFFFAOYSA-N 447.900 0.744 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 603590700 WQJZRFQYJANCCT-UHFFFAOYSA-N 430.490 0.832 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)c2)CC1 612268281 NCJOIOPGJOBDKI-FQEVSTJZSA-N 433.534 0.713 30 20 ICED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 646602950 LVHKWKHKMXPIQW-UHFFFAOYSA-N 429.502 0.461 30 20 ICED C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNC1=O 729060886 MBMNIUSLGMMFTR-ZDUSSCGKSA-N 436.490 0.769 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1sccc1C#N 745353591 OIBOZGHWSAIEHK-JTQLQIEISA-N 425.492 0.819 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 747733464 UKXVNRVRFOGGAD-UHFFFAOYSA-N 446.573 0.435 30 20 ICED COc1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1S(=O)(=O)N(C)C 757910970 XLYWIPRWJAZRQE-WUKNDPDISA-N 437.478 0.593 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758088694 LACSLSXVIXIHJU-PNPHSEOMSA-N 445.925 0.965 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 758496603 VSOABLNOYKSDTG-KSZLIROESA-N 436.557 0.451 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)CC1 770483913 ULJFXSHLKGNVHN-UHFFFAOYSA-N 439.472 0.838 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCC1 771073693 MBVXIVFGGUZVRW-UHFFFAOYSA-N 427.504 0.461 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C(C)C)c1cc[nH]n1 772277286 HDBHSGJKSBFBDK-GXTWGEPZSA-N 425.511 0.756 30 20 ICED CN(Cc1nccn1C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782968098 XRDILJRUMPXHIY-JWGURIENSA-N 432.506 0.830 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 783462024 GYIKLMSVNPGAQP-UHFFFAOYSA-N 434.452 0.834 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 783544712 BDXNTZCATATBNL-UHFFFAOYSA-N 430.548 0.357 30 20 ICED Cc1nc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 784729919 HRLRJXYDJFSJHH-JLPGSUDCSA-N 433.494 0.223 30 20 ICED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 784964860 UUQAEDFOLWLNSH-JJTVEENBSA-N 435.506 0.127 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 786706645 LAOOGHAJOAQEQP-MRXNPFEDSA-N 429.477 0.416 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794580870 FEYGOHNPDUQVFL-CQSZACIVSA-N 445.497 0.170 30 20 ICED CC(=O)N[C@](C)(C(=O)NCCNc1ncccc1C#N)c1ccc(S(C)(=O)=O)cc1 797711824 PCDUQWYDUVATLO-FQEVSTJZSA-N 429.502 0.936 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101915 VSULADTWLOBAKA-KGLIPLIRSA-N 441.472 0.762 30 20 ICED COC(=O)[C@H](Cn1ccnc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 807282073 CWYAQOOJEXNISI-SFHVURJKSA-N 445.501 0.513 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCc4c3ccc(=O)n4C)nc2)CC1 814746369 WCAHOSQUSXVMOH-UHFFFAOYSA-N 430.534 0.869 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCN(C)CC2)C1 816752233 VGDNVQFLDOUXQR-IBGZPJMESA-N 447.605 0.990 30 20 ICED C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1 817227520 IIPBUANUTZBIMX-VCBZYWHSSA-N 445.497 0.834 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccc3)c2=O)cn1 839245877 VJKLUHMPVMBLDI-UHFFFAOYSA-N 449.536 0.248 30 20 ICED CS(=O)(=O)Nc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 899895241 LYSDSHVCQPHCBF-UHFFFAOYSA-N 426.451 0.874 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3NS(C)(=O)=O)CC2)o1 914683874 MZJDLVTXLRSBOQ-UHFFFAOYSA-N 447.473 0.732 30 20 ICED COc1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(C(=O)N(C)C)cc1OC 915777878 PCSPQNLTINWXGI-UHFFFAOYSA-N 440.460 0.839 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c(C#N)c2N)cc1 918574342 MFYIBLQTQKDLNR-DHZHZOJOSA-N 447.499 0.794 30 20 ICED C=CCN(CC(=O)OCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 921292817 VMFDKVJVUMLKAM-UHFFFAOYSA-N 426.491 0.907 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1503280461 NQGKXOCVMFWAAM-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1515923863 IQQOGGHRWBRYJZ-INIZCTEOSA-N 447.565 0.808 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c1 1558992346 WLOIHPNMLXYAMC-KRWDZBQOSA-N 438.575 0.503 30 20 ICED CN1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618467920 XQTFCJJGKGREAF-RXVVDRJESA-N 444.561 0.755 30 20 ICED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1619925925 SREIZPNPRYWHSF-MAUKXSAKSA-N 437.501 0.513 30 20 ICED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1664373720 ZOXMFYHZUWVCOR-MNOVXSKESA-N 427.273 0.550 30 20 ICED COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1712149200 UWJLVKUSNHJDLM-QGZVFWFLSA-N 442.524 0.671 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)[C@@H](C)C1 1722794619 TVAUQYDVQIOGAM-AOMKIAJQSA-N 440.504 0.937 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1741055969 WCJJKJUFWHUYTL-JOCHJYFZSA-N 439.520 0.464 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1741135256 RZCFWHKEVDPVQX-HNNXBMFYSA-N 445.549 0.886 30 20 ICED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1763499827 TZRYKIHEGFPVLB-YLJYHZDGSA-N 431.518 0.982 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1765672878 RYHAOOPUYUBQPB-ZWKOTPCHSA-N 446.533 0.750 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770747716 JJYDLTHLCSDFGS-DLBZAZTESA-N 441.467 0.456 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778182061 HVSNQIFIRITDFT-YADHBBJMSA-N 449.504 0.551 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778446454 UEIBVRKLFSODSU-HSZRJFAPSA-N 437.500 0.871 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1779268628 ALIHBLUECAKRCW-WRJVNZQQSA-N 446.504 0.768 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779318906 MXZRFVHAUPGYNJ-SIKLNZKXSA-N 428.489 0.461 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccccc1 1781044256 ZVPIHWITPWQDAK-IBPRQYQWSA-N 425.529 0.736 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782234393 ORWXHFFXRFZUIA-PMUMKWKESA-N 433.427 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21 1783529543 QBTXHSJOMLYBRW-OECAHVLASA-N 433.896 0.582 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783849832 FGUFMYUCDPYQCX-PMAPCBKXSA-N 446.548 0.854 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)CCO2 1783916410 BKSIIQWIQBIUIW-QFIPXVFZSA-N 427.505 0.428 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012598 ZAHASSGKNXCXGP-VXKWHMMOSA-N 435.521 0.602 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859132 MTBIXKKIDMNHQM-XSLAGTTESA-N 443.552 0.539 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c1 1789511125 CWDWXMGCACPFMO-ULQDDVLXSA-N 434.456 0.354 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(NC(C)=O)c(O)c3)[C@H]2C1 1790303510 NAORRZMDOGSXAW-SIHWBGBFSA-N 443.500 0.982 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078186 YLDFGYAUVHWWJR-QAETUUGQSA-N 449.504 0.454 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC#C[Si](C)(C)C)C2)C(=O)O 1795642285 LFFTUKSIMRLVFH-CLWJZODNSA-N 437.613 0.690 30 20 ICED 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)CC#N)C3)C1 1797120795 HPTVXVBRBLWVMG-WXQHOCMDSA-N 436.509 0.108 30 20 ICED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818699 ZITABABOPPRYPM-USNRHEKUSA-N 429.539 0.219 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798711629 XAPCRZQTIMCXGT-WRWGMCAJSA-N 431.415 0.600 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)cn2[nH]cnc(=O)c12 1798921187 PHJZKCFDPODEDY-IZZQQSIFSA-N 446.467 0.720 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1 1799801976 WWZBAFOROWDPCJ-BJWYYQGGSA-N 434.456 0.273 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800231717 AITHQVUPAVMHPK-JFNWUHSMSA-N 441.481 0.667 30 20 ICED COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(OC)c1 1800779201 ZLVSTJHMELLENT-MFKICJERSA-N 430.457 0.314 30 20 ICED C#CCCCC(=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 1800996104 JRMBNPWWJAVQMG-ZQYRFBGISA-N 449.548 0.751 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347389 ZQGMEHYILDPSAM-CBZIJGRNSA-N 443.504 0.259 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@@H]1c1cccnc1 1807958241 UZRRQVMRSYZCDN-MLYOOKFZSA-N 442.516 0.948 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814464499 JWWHFFQGHYHHMK-MNOVXSKESA-N 425.536 0.687 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1815197066 FQRKNJVYYZRAPZ-WFASDCNBSA-N 438.448 0.485 30 20 ICED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CS(=O)(=O)N4CCCC4)sc3C2)CC1 1817271473 DFWGOQCUVXPNPF-GFCCVEGCSA-N 437.547 0.784 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817294486 AMAJKNJOMNGPQI-WITJGNNASA-N 446.512 0.771 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819781107 NPYRKQOBMZBBLB-SRRANQMSSA-N 444.517 0.452 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccc3)on1)CCO2 1829596775 NVUUAVOPZCMCFR-QFIPXVFZSA-N 439.424 0.500 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C)C2)C1 1829764368 KIMQYNGBWWQKCR-FBQMEGEOSA-N 434.518 0.380 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1829789064 QCJQIHYBXQYMIA-NRFANRHFSA-N 440.610 0.919 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829896105 LRLJIMNEAGTEEM-NFBKMPQASA-N 442.516 0.472 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1830054261 JGHFWZWLIGWDND-QFIPXVFZSA-N 438.488 0.887 30 20 ICED Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1830916548 RAKYMWNGHNMSRD-GVFUYMABSA-N 443.548 0.861 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487452 DZWZJYLTPKDEKC-VQTJNVASSA-N 439.597 0.466 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1832008260 KBCDSUYFZPPAOR-HOIFWPIMSA-N 433.505 0.726 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cn3nc(C)sc3n1)CCO2 1832110686 UYCDKXFVKQUZRL-FQEVSTJZSA-N 431.518 0.512 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834034014 DZOGTVJSYXXTCD-JOCHJYFZSA-N 437.456 0.497 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1835098226 CBNWWSICWHMVTN-XMMPIXPASA-N 445.479 0.851 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835098879 RORIFHOSXMALQH-XMMPIXPASA-N 436.512 0.861 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1835355014 OSGJTTTUXTVDCS-NRFANRHFSA-N 444.513 0.823 30 20 ICED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729547 IXLWHJXHPDNSLH-LFVJCYFKSA-N 449.600 0.301 30 20 ICED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750693 IRTMVBPBBXTSKK-UHFFFAOYSA-N 432.565 0.393 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835766068 WGDUSHLIDKTAIL-BGNLLANUSA-N 436.553 0.858 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)cc1 1835997735 AEBANIRTCBHJAI-HSZRJFAPSA-N 436.468 0.490 30 20 ICED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1836238370 XMSUFPLMPMPTNU-OAQYLSRUSA-N 443.435 0.813 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1836858492 PCTRARCNOBNNKF-INIZCTEOSA-N 447.492 0.828 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836902931 YSRSMGOTISWWMT-AOMKIAJQSA-N 426.473 0.671 30 20 ICED O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1=O 1837135616 NXXOLZYJAUQBBB-QHCPKHFHSA-N 437.452 0.305 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(Cl)c5nncn5c4)CCO3)C2)CC1 1837370235 KBCODOILHZMGSB-HXUWFJFHSA-N 444.879 0.756 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837446590 FBOLLTJOICUKIS-XWRADEMYSA-N 433.509 0.454 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)CC1 1837794792 CZISNAUVIDFFNL-UHFFFAOYSA-N 433.553 0.453 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5ccccc5O4)C3)C2)c1 1838737098 HOSGKXBTKFWVNL-OFNKIYASSA-N 436.468 0.960 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(Cl)c1 1839423491 FHGBBDVOIKKKPU-LJQANCHMSA-N 430.852 0.714 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572297 QKSHIAVKNATUAE-HJPURHCSSA-N 443.500 0.842 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1839810423 WQPANVRBJLYHFA-HSZRJFAPSA-N 443.500 0.181 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135307 OLWQYFMWYSUOQB-MEKIYTOJSA-N 442.512 0.875 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c1 1840714057 UTYJLVCATFUCBZ-IIBYNOLFSA-N 449.529 0.428 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1840841937 CXMYPERSBQAUIT-NRFANRHFSA-N 426.477 0.225 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561373 VCTWYEMKAAZMPB-QGZVFWFLSA-N 431.493 0.170 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br 327388583 XNADRLNEEOKVAZ-UHFFFAOYSA-N 436.284 0.977 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 438752975 LXNIRDWULSBOCX-UHFFFAOYSA-N 447.517 0.652 30 20 ICED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 442240166 GBSNVJBGCWMWSA-UHFFFAOYSA-N 442.497 0.927 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(Cl)cs2)c1=O 447263853 KEHKVSODBLHTBL-UHFFFAOYSA-N 438.962 0.113 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 461508604 QIILKOBFOKRRSB-GOSISDBHSA-N 439.559 0.995 30 20 ICED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474582229 FCMJILQIQULPJL-XIKOKIGWSA-N 447.469 0.970 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 480516181 STAMBJDTWAGJNB-QGZVFWFLSA-N 431.512 0.215 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 487972066 LTRRHWMRNJWTIM-RTBURBONSA-N 443.614 0.051 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488681176 SQALCGOYDHFJLY-HNNXBMFYSA-N 437.460 0.279 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1S(C)(=O)=O 498426943 BIAZXSBNYKCHKT-UHFFFAOYSA-N 427.486 0.953 30 20 ICED N#CC1(NC(=O)CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCCCC1 498659850 FVOITQKVJQRZQB-UHFFFAOYSA-N 440.504 0.721 30 20 ICED Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 504192956 CBMYURIGAODSLG-QGZVFWFLSA-N 446.467 0.738 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505681735 AACHOPBCBHHKBJ-AWEZNQCLSA-N 432.571 0.814 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 513443633 JWECRPQKDONMKH-SFHVURJKSA-N 435.550 0.238 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CC(C)C 515651446 MWUNUILEWWYCRO-UHFFFAOYSA-N 436.515 0.801 30 20 ICED CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 518011009 ZHHGOKHTOYKXTQ-CQSZACIVSA-N 438.506 0.805 30 20 ICED N#Cc1cccc(CNC(=O)CN2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)c1 521820939 GNIGBNKQWYCWLY-UHFFFAOYSA-N 430.512 0.980 30 20 ICED CN(C)CCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 531570794 RALAQHRKOVOFOU-GOSISDBHSA-N 441.575 0.440 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 532605457 IZSIXUUYPSHGJT-CYBMUJFWSA-N 444.473 0.814 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 545466243 DLWQRWYXLQMQOQ-ZDUSSCGKSA-N 449.407 0.646 30 20 ICED N#Cc1ncccc1S(=O)(=O)NCC1(NS(=O)(=O)c2cccnc2C#N)CCC1 551482281 HKJFLRCABZYGLZ-UHFFFAOYSA-N 432.487 0.399 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1F 552730443 JBJAPCURLFKPPQ-NSHDSACASA-N 440.478 0.911 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@H]2CCOC2)cc1 555493488 KTSFDGHREAAATI-QGZVFWFLSA-N 449.515 0.780 30 20 ICED Cc1nc([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n[nH]1 558058393 WZELXQHDMWNHOR-ZWKOTPCHSA-N 435.488 0.608 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 558994184 MPUHWOFJJHTDEP-KRWDZBQOSA-N 436.582 0.501 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561130099 NHUVRMBHTRZZOD-HKUYNNGSSA-N 443.523 0.915 30 20 ICED COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 561278363 YOZUFHSKTBGSOB-OAHLLOKOSA-N 440.504 0.841 30 20 ICED N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCO[C@@H](C#N)C3)N2Cc2ccccc2)CCO1 576500788 WRKAQDJKNUMLDO-FXELSEDVSA-N 437.500 0.522 30 20 ICED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 581064235 IOJOMTNSEQCBCR-LJQANCHMSA-N 436.516 0.950 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 582395540 LJEKNSWCYPLNFD-UHFFFAOYSA-N 447.503 1.022 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 609459037 OGRSSQFHWCLDQX-IBGZPJMESA-N 435.550 0.958 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 623209562 VDFSZMDWDITQQI-UHFFFAOYSA-N 448.501 0.454 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cnn(CC)c1 726180326 GVJARFXRKQWSNV-UHFFFAOYSA-N 425.518 0.268 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 729257829 RSJPOCKCMSQKLC-UHFFFAOYSA-N 426.926 0.145 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 732562894 NOLRHSNGJGOMIU-UHFFFAOYSA-N 425.518 0.359 30 20 ICED N#C[C@@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCS(=O)(=O)CC1 732908568 OSDLCJYUUCMMCA-LBPRGKRZSA-N 425.850 0.604 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)ccc2OC(F)F)c(=O)n1CCOC 732978802 RZCSFOSEWTVQIR-UHFFFAOYSA-N 439.440 0.415 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 735480594 NAIJPRLEOJQLRU-UHFFFAOYSA-N 426.498 0.659 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nnnn2C2CC2)c1 743983690 AOBKYAVGJZBUSR-PXLXIMEGSA-N 446.493 0.076 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 747856498 LQWFLOUQUKPTMR-UHFFFAOYSA-N 425.533 0.745 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 751444915 IJOFTLHSKIFVTM-KRWDZBQOSA-N 441.575 0.179 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 752624790 XZRRDPUWEXBULM-KRWDZBQOSA-N 442.516 0.340 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 755553538 QNAHBTSNAOSKQA-DOMZBBRYSA-N 431.449 0.364 30 20 ICED Cc1cccc(N(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)c1C 756457493 HJHONTPGUGGOIL-UHFFFAOYSA-N 433.490 0.805 30 20 ICED COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 757288956 HKOGKJVGKNEELU-PXLXIMEGSA-N 438.506 0.753 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2F)c1=O 758059808 UMAYGPQPTLQQSE-UHFFFAOYSA-N 431.876 0.697 30 20 ICED N#Cc1cccn(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1=O 758223406 HPPQIOBGVZBOHQ-UHFFFAOYSA-N 429.458 0.015 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763467460 WINMAFJDWOKRRZ-UHFFFAOYSA-N 434.612 0.690 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccc(C(C)C)n3)CC2)c1=O 767497463 AJPSRYTVSYGPJJ-UHFFFAOYSA-N 427.509 0.237 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)c1 772240866 FXQBDUDCOSWQCF-UHFFFAOYSA-N 441.556 0.676 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)CC1 779766259 DBQISRGFDHJORH-HNNXBMFYSA-N 429.554 0.655 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 784849521 HRLAKUMEBNDVQG-HNNXBMFYSA-N 436.534 0.630 30 20 ICED Cc1nn(C)c(N2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)c1C#N 788044874 QSSNTRIDDHKWGI-UHFFFAOYSA-N 427.490 0.732 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc[nH]n1 789980408 FAOWIIMDEQDRLN-CYBMUJFWSA-N 427.417 0.537 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793830764 RXNIBPGFMZNGIW-UHFFFAOYSA-N 443.504 0.712 30 20 ICED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 811182117 SFUBHPHRNJINRS-HZPDHXFCSA-N 449.445 0.054 30 20 ICED CCCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 844044436 XTEZEFHBJSQKIS-AWEZNQCLSA-N 427.548 0.931 30 20 ICED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 915777546 JEXPYFCGAQZNPA-UHFFFAOYSA-N 435.488 0.508 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2n[nH]c3c2CCC3)CC1 919332647 HQDMKXKLUOQVIP-UHFFFAOYSA-N 443.485 0.460 30 20 ICED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 919508216 XKKGTKLJUYZQBU-UHFFFAOYSA-N 443.435 0.839 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Br)c1C#N 1213941957 YSQLIZVVHRQRBS-NSHDSACASA-N 437.293 0.281 30 20 ICED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1261206031 YPYXRCUQIJACCX-UHFFFAOYSA-N 446.533 0.626 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1303448340 QKVMGTUZNDBFGK-UHFFFAOYSA-N 447.503 0.928 30 20 ICED Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1318006478 ZGZNODPKBGEVNP-MRXNPFEDSA-N 436.515 0.976 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2=O)cc1 1324574272 BNOTZUFEHGUCEB-IBGZPJMESA-N 445.479 0.800 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542393090 ZFBROILJXRPKIP-ZWKOTPCHSA-N 446.533 0.697 30 20 ICED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)OC 1555249398 ODMXFZFXJPSREF-SFHVURJKSA-N 428.493 0.773 30 20 ICED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1624363927 RDCNXDPMSKTOQC-QGZVFWFLSA-N 445.863 0.532 30 20 ICED CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1=O 1675947385 IYZCRYPQOHBJFT-UHFFFAOYSA-N 430.490 0.514 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CC1 1746436629 SXCLOUBGIQUCGQ-KURKYZTESA-N 437.614 0.945 30 20 ICED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1746950597 OUBHWCLGYHMVBP-IWXNBZKKSA-N 440.570 0.948 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1779037989 MWQWPFSVYIEYEL-FQEVSTJZSA-N 433.509 0.625 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779134245 CQSWMBDKGKBITH-KSVWHXBKSA-N 449.357 0.884 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1780101614 GXHXHVRQYPGNOT-GAMXZPBPSA-N 432.477 0.358 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780911818 JSAFXWKVPUFUNK-YBVWCTEOSA-N 445.491 0.871 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782603323 GGLMQNRPSLLBLW-RZQQEMMASA-N 434.497 0.257 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782666935 QPAJLYRWSJUCPU-PNLZDCPESA-N 428.489 0.068 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1ccc(Cn3ccnc3)cc1)CCO2 1783558534 ZGKSNUHKOKZVND-ZFTMLNQLSA-N 448.479 0.863 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783616753 XCGMJULANWLZMT-YYQBIWNASA-N 443.566 0.505 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783849829 FGUFMYUCDPYQCX-IXFSTUDKSA-N 446.548 0.854 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1783923510 JMTWPGCKVNSVGG-IIBYNOLFSA-N 439.509 0.849 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)C[C@@H]32)CCC1=O 1784983455 NAZWYXXFKGMHPK-BJLQDIEVSA-N 437.500 0.954 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1785079906 REIONUPYWOSBQD-LDJQZATESA-N 444.488 0.822 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3-c3ccncc3)[C@H]2C1 1785751704 SYFLIPRIEQAKLY-IGGJEDBVSA-N 437.500 0.899 30 20 ICED COc1ccc(C(=O)CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1786431954 UDLJYGXGMDZIRB-QRFRQXIXSA-N 442.468 0.726 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)[C@H]2C1 1787125426 PEIQTAMCTYVNSL-VMXHOPILSA-N 449.548 0.750 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1788661397 PJKRJHVQBGXYBB-OCRNNUOJSA-N 443.504 0.999 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncon4)[C@H]3C2)c(C#N)c1 1789088656 RKKCQXPIQTYTNI-WBAXXEDZSA-N 425.445 0.786 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1789892146 DYSFZTGDAWJMRJ-ULQDDVLXSA-N 441.488 0.832 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCNC(=O)C4)[C@H]3C2)ccc1F 1791348172 NBFYQPWJSWZPAT-JMVFIXPQSA-N 442.491 0.746 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728309 BIPIBJLFDFREKI-PEGIJTEDSA-N 428.404 0.850 30 20 ICED 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)CC2)C1 1795411315 FLRMZPXUPQOWFQ-NNXHMXCWSA-N 448.520 0.108 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1795598713 ZJAUXIDYWNGMQZ-SCAQPMJSSA-N 425.493 0.214 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(OC)c1F 1795908194 IPGOHTUOCHZVSL-PXAQZEHQSA-N 432.452 0.291 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCCNC3=O)c1 1797323566 DMYLNEDQYHJGEP-XEMDLRDOSA-N 448.483 0.405 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nc1 1797738922 ITZZKTRDJNXHKM-QQAVIKJWSA-N 428.537 0.823 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O 1799640917 JVLRTRCYJZHRHC-DPIQGUFMSA-N 444.431 0.945 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c1 1800390243 YTNSRCQNUPAONL-JTJHWIPRSA-N 445.541 0.658 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)c1ccc(O)cc1 1801052032 XTAUZYOMQLRQAQ-DNMVWIPKSA-N 441.484 0.587 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1803597263 BBLSXXUHKHHXSB-XIRDDKMYSA-N 444.494 0.767 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1804374454 VWYXDPQHBIZXQT-QKPAOTATSA-N 431.497 0.228 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CSC(=N)N)[C@H]1c1cccnc1 1807145430 LKSDOHAKYDKGLO-WBVHZDCISA-N 431.566 0.996 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1808440327 LFIUQWIZSDTILM-ZWOKBUDYSA-N 446.504 0.660 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1812329322 QVXAGBMOOLRYET-AYBZRNKSSA-N 431.562 0.610 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812877213 IDRSAWHDKZMWRA-OXQOHEQNSA-N 432.440 0.840 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCc3ccncc3)C2)C1 1831386916 KUYGSIFLFBPXDT-CVDCTZTESA-N 429.517 0.899 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=O)c2cccnc2)CC1 1831664676 GOUBJSJRMPYMSC-GOSISDBHSA-N 426.473 0.519 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(Cc3ccccn3)CC1)CCO2 1833112093 AAAKLSLMMWQAIY-QHCPKHFHSA-N 441.532 0.664 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833767072 QJGCROWOBNJLJN-ZZAWEDPDSA-N 445.520 0.632 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C)CCO2)C1 1835148530 LZXMUUQBLSEOHI-CVDCTZTESA-N 430.501 0.869 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835494151 IVWVJAKFQAEOOS-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836872229 YRZDLYRWBLKWMU-VGOFRKELSA-N 443.504 0.372 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1837403264 JBDGUYCUBXIYAF-IIBYNOLFSA-N 438.521 0.359 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488753 QADXUYSTOUNTDK-HSZRJFAPSA-N 442.516 0.554 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837663355 XUCULTRLHQXQTF-OAQYLSRUSA-N 434.493 0.950 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838379875 HQKQZCYAIRNILQ-UHFFFAOYSA-N 434.493 0.370 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)c1 1838740793 UROFHHDAKKGKFX-OAQYLSRUSA-N 426.429 0.681 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838805874 XUULOEDQPLZZOT-NRFANRHFSA-N 426.429 0.422 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839160639 LSNBYYBLIFJDDE-XHSUDLSASA-N 435.502 0.078 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1)CCO2 1839217020 AIAMUBRWAMLVNL-DNVFCKCGSA-N 430.501 0.949 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1839224446 SOKOLMGLJBLGFG-QRWLVFNGSA-N 437.497 0.612 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)cc1 1839364334 YWCOQRZGBPUPKW-QFIPXVFZSA-N 438.488 0.504 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(O)c1OC 1839376051 YSHNLJMGFOIZDQ-QHCPKHFHSA-N 444.484 0.893 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839644637 KTNHCRYMIYIDBA-WZONZLPQSA-N 444.532 0.734 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840588215 XEQZUWSNDMONJS-AVRDEDQJSA-N 436.553 0.541 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1840716770 SIBWLUXHALEPTI-HFXUHXBXSA-N 440.500 0.520 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)CCC1 1840813057 BAICTBSXOQEUEQ-NRFANRHFSA-N 446.529 0.628 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840830960 KXIHGFFMRHWJHR-HSZRJFAPSA-N 425.485 0.926 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897276 UBLVXWCDHZNZBA-IBGZPJMESA-N 439.559 0.107 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840958221 WEZYAGSSISWPGQ-NRFANRHFSA-N 431.445 0.222 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(C(=O)OCC)c1 1847263870 PYXWVILPJZFDTO-SLXDBMQSSA-N 426.473 0.932 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3OCCOC)CC2)C1=O 427005586 ULAXBBFIGNXBJI-UHFFFAOYSA-N 430.461 0.337 30 20 ICED C[C@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 433246863 LGJFDTXIQBDOST-HNNXBMFYSA-N 447.517 0.964 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 434995622 PLOCMSCETMTZPO-ZDUSSCGKSA-N 426.495 0.567 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441950631 CVLUSEDGEDBAAI-CABCVRRESA-N 445.566 0.806 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1S(C)(=O)=O 443295925 KJKRQTHESITYFD-JTQLQIEISA-N 434.396 0.888 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 460614293 VGFDLDVJNUNGHH-KRWDZBQOSA-N 437.504 1.397 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CC1 461365414 TWTRAJDXXYHZDI-UHFFFAOYSA-N 438.509 0.781 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 491153752 FKBSZTNECRVGMA-UHFFFAOYSA-N 444.532 0.877 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504178464 YOLPWGKVKAPOHD-GNVJSZRZSA-N 436.468 0.722 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 506127922 WLDYAUFAOFXXOH-UHFFFAOYSA-N 429.506 0.702 30 20 ICED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508831377 BZBNOOPDYKBUMO-UHFFFAOYSA-N 438.488 0.830 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2[C@@H]2CCCO2)CC1 511645796 IFOXWRRMSCLJOO-OALUTQOASA-N 448.545 0.271 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)nn1 514640116 XEICJLRHHWUGGT-UHFFFAOYSA-N 440.441 0.843 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 523042509 LEMWDLGSTBRSRR-GOSISDBHSA-N 444.536 0.992 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 524299161 RFWFCSSAMVAQIT-UHFFFAOYSA-N 444.517 0.882 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2sccc2C)n(CC(N)=O)c1=O 533120428 KYWPSLNDDFJXMW-UHFFFAOYSA-N 427.511 0.367 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1C 534931263 OWVUAEARJGJFAT-MRXNPFEDSA-N 444.517 0.697 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)O1 541131170 IOPKLQRDLJFDBR-BBRMVZONSA-N 428.424 0.574 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 544872298 DNNXQYXVICBZGR-OCCSQVGLSA-N 432.462 0.077 30 20 ICED C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 561368529 QXUPXWVLNLRECU-RBUKOAKNSA-N 427.549 0.818 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 566884202 DTMNZVNVQDTCBK-UHFFFAOYSA-N 444.488 0.889 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2=O)cc1 573638250 DEUHBIKVAIXSHC-NRFANRHFSA-N 446.511 0.515 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 588775431 HMXFJTGBRBZMGE-VQTJNVASSA-N 430.505 0.139 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610807137 AOKSAYFIYZXNJS-HOCLYGCPSA-N 441.513 0.719 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(=O)N(C)C 671654182 XEIVNNAOIMTCGE-UHFFFAOYSA-N 429.546 0.548 30 20 ICED C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)CC1 679793834 FOWVNXFFPMXIHZ-PXNSSMCTSA-N 437.562 0.976 30 20 ICED O=C(CS(=O)(=O)c1cccc(Br)c1)NCCN/C(O)=C1/N=CC=CC1=O 732155001 WTAGAPAMEIVWAH-NXVVXOECSA-N 442.291 0.865 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 732444613 PEWWCVNUIZGTNA-NXVVXOECSA-N 441.897 0.444 30 20 ICED C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 734171769 LJAKPMLEIMEKGH-UHFFFAOYSA-N 446.485 0.607 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)C1=O 736129455 LXPORBDUJUVCKC-QWHCGFSZSA-N 438.481 0.840 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 743889098 DJGGVVLGYWKIGY-UHFFFAOYSA-N 430.480 0.933 30 20 ICED NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746109365 NPCQGKCYWZBWNI-PMIVHWTLSA-N 445.907 0.927 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 748790342 DIBUANYFFFSOJD-GFCCVEGCSA-N 432.527 0.144 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(c3ncc(Br)c(OC)n3)CC2)CC1 750836881 LODGNIARZVBYPF-UHFFFAOYSA-N 437.342 0.147 30 20 ICED CN1C(=C2C(=N)N(CCN3CCN(S(C)(=O)=O)CC3)CC2=O)N(C)c2ccccc21 752718087 ITWXSYNBLNRFLS-UHFFFAOYSA-N 432.550 0.223 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755543725 CSGBSUSXFGONAL-GOEBONIOSA-N 429.477 0.789 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 755865562 IDQVXBDFMRCWRE-UHFFFAOYSA-N 426.481 0.985 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 758069596 QNKZMXLBUOEPHW-UHFFFAOYSA-N 428.857 0.910 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)c1 763800759 UKIWNMBZHIFZNL-UHFFFAOYSA-N 435.527 0.826 30 20 ICED CCOCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 767377302 MCRVPPVTUCUDKX-LLVKDONJSA-N 429.520 0.935 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 768713320 KETHCLJGMWVQKT-UHFFFAOYSA-N 427.914 0.881 30 20 ICED COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C 769641340 NBBMDQJNFNGZLW-UHFFFAOYSA-N 433.442 0.994 30 20 ICED C[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCN1c1nccn2cnnc12 771171066 LLLAYTGNHPSRPL-OYHNWAKOSA-N 445.487 0.931 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 772302769 QXRQZHNXSPAPAF-UHFFFAOYSA-N 446.492 0.077 30 20 ICED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCCO1 773054931 KSIVWENMUWVTLB-ZIAGYGMSSA-N 426.438 0.986 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 779571055 XLUHFLWKXNUGQX-PANRORFQSA-N 427.505 0.791 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 783463975 KGUONEJMCWCHEE-UHFFFAOYSA-N 434.452 0.834 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 783482538 YFAAMUOKJUIOSE-ZDUSSCGKSA-N 446.266 0.879 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783956060 BKKTYCXLTSQKRB-UHFFFAOYSA-N 428.857 0.886 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 786654392 IJAVTYIZRBPTJL-UHFFFAOYSA-N 425.468 0.432 30 20 ICED COC(CN(CCCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 787279433 LIHIXRIXBXDDSH-UHFFFAOYSA-N 439.534 0.789 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)C[C@@H](C)O1 793482793 HVHHYLPRSLGJLD-CALCHBBNSA-N 449.577 0.528 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(=O)N(C)C 795196347 VNHPIVYLCXYJOI-UHFFFAOYSA-N 436.493 0.549 30 20 ICED COC(=O)[C@H](C)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 797286156 ZQKUQYPIFBTWIU-AAEUAGOBSA-N 445.519 0.147 30 20 ICED C#CCOC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 804096182 XSVWMORQDJIPFR-UHFFFAOYSA-N 442.515 0.564 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCCN2CCOCC2)cc1 805969571 ZASLJSRVLJRFHM-HNNXBMFYSA-N 425.507 0.145 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 807002456 KVLTZNUUELKYLD-LLVKDONJSA-N 425.850 0.258 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(F)c1 807303240 FXGRVDWQBQOCLG-NSHDSACASA-N 427.351 0.823 30 20 ICED Cc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 807398984 GQAJUVRQRWSQDY-NSGIVPQISA-N 433.494 0.742 30 20 ICED C#CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 812786339 JSPOEOLXCGALRR-UHFFFAOYSA-N 443.909 0.643 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1 815439109 BYZAQRFCTDZLPG-QFIPXVFZSA-N 428.533 0.490 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 853705895 QEDUKEBYEYYZKP-UHFFFAOYSA-N 444.425 0.877 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1292723952 BPPOPIIJQDJURX-ACJLOTCBSA-N 449.558 0.828 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1305246366 RVORVBCGNVJKDU-IVZQSRNASA-N 440.504 0.827 30 20 ICED Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1510889299 PTZBSOJIDHXNAM-BEFAXECRSA-N 434.497 0.678 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1541928052 VHYXLXCKUYSKFV-IUODEOHRSA-N 448.546 0.298 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1541946228 RLRVKOHVRSEHLP-CHWSQXEVSA-N 439.473 0.230 30 20 ICED 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0.422 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839164388 NSKYIMRRNUMMSB-VLIAUNLRSA-N 434.880 0.416 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1839174183 KPGOLSJWHOCZLF-QHCPKHFHSA-N 445.516 0.898 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839174500 GRHPBPXSVUKAGM-NRFANRHFSA-N 434.493 0.157 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839223342 SQQVEPIDAWVXIQ-GHTZIAJQSA-N 435.525 0.757 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)cn1 1839224261 QEXBPSXIILGLJW-MGPUTAFESA-N 435.481 0.356 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1839225094 XMMIFQFUADJTGY-KSSFIOAISA-N 425.511 0.717 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538168 WHSYHJYMCRNYLS-VGSWGCGISA-N 426.473 0.443 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)cc1 1839784427 WNCVTORZVUQWFD-NQIIRXRSSA-N 447.513 0.205 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807821 GREGQRZLAYYIJV-SFTDATJTSA-N 439.484 0.425 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1839872304 GDBSSGCRKHHXHX-AVRDEDQJSA-N 426.473 0.073 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccc4)no3)C2)C1 1840042379 RLFTVWJAXDSVTE-JOCHJYFZSA-N 439.424 0.500 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062143 NYRFWHZLZNIDAZ-CMEFWWCBSA-N 448.476 0.386 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161275 JNZPFLKMGIKNLI-QVKFZJNVSA-N 435.546 0.791 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1841054282 HJCSHKBMQXDFEI-XITLMJRVSA-N 449.552 0.290 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CCN4C(=O)C=CC4=O)C3)c2c1 1841757808 BNCQHGMHNIJANQ-UHFFFAOYSA-N 432.440 0.567 30 20 ICED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1)c1cccs1 1843008640 GUXLIDSOKHNMGC-SNAWJCMRSA-N 438.469 0.735 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1844238127 JHJPFZSTLIZFBG-HNNXBMFYSA-N 432.546 0.668 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1845187831 YLNFIYRVOUQZAA-CQSZACIVSA-N 444.488 0.706 30 20 ICED CCN(CC)C(=O)CN1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 29723951 GOMJMMKSDIYHSO-UHFFFAOYSA-N 445.568 0.379 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c(=O)n2C 58499141 ZINGZHFORJWVMU-UHFFFAOYSA-N 434.378 0.896 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 409548786 UCWQSJBEKYRWBJ-UHFFFAOYSA-N 430.552 0.536 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 430556963 LVDKMADHGANGAA-BNDYYXHWSA-N 434.581 0.923 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2C2CCC2)CC1 430984645 NVIFDSWMIRCMOU-UHFFFAOYSA-N 440.573 0.344 30 20 ICED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 434830991 MAIBLMYFTFRMLN-KRWDZBQOSA-N 432.458 0.471 30 20 ICED CCCN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 436134062 USOHILNUQVRDFY-INIZCTEOSA-N 426.477 0.547 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cnc2n(C)c1=O 436463669 ZWIDTOYPRKLXOK-QZTJIDSGSA-N 446.467 0.869 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)C1=O 440739788 UOOPEPJHBQUGAD-NSHDSACASA-N 448.407 0.422 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 461343685 UMXMWJGODCTNIT-UHFFFAOYSA-N 431.489 0.899 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 476142122 HRJODWXMMKWAPO-UHFFFAOYSA-N 445.501 0.598 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4ncccc4c3)c(=O)n2C)CC1 489197465 RPHNAULINRAKIZ-UHFFFAOYSA-N 433.537 0.662 30 20 ICED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc1 498076787 SEVJYCGNLMPDLT-UHFFFAOYSA-N 443.514 0.903 30 20 ICED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1C#N 499625002 HXJFQRFQOLBYKC-UHFFFAOYSA-N 430.446 0.512 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)cc2)c1=O 501773038 KDWKXVOLUSTPSM-UHFFFAOYSA-N 443.525 0.899 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 509419718 XAYHFCOFUSLVAX-CYBMUJFWSA-N 445.523 0.599 30 20 ICED CC(C)N(CCCNC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513979275 AKQRWBADHQMITJ-KKSFZXQISA-N 447.561 0.508 30 20 ICED N#C[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@]12C(=O)Nc1ccccc12 513985001 JLRLVGFLLVYHBJ-ZMZPIMSZSA-N 431.499 0.951 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 523251741 IFACOPCZQUMFNT-UHFFFAOYSA-N 433.493 0.422 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 523259350 CDOOJEQPHWAQKK-UHFFFAOYSA-N 438.536 0.991 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1 524281180 KKYPTXNBCYBYBL-UHFFFAOYSA-N 430.555 0.392 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccc(OC)nc1 532448287 DKTAILOGZANGMV-UHFFFAOYSA-N 428.495 0.622 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 547714510 LSJYLZGQEFUJTH-UHFFFAOYSA-N 425.492 0.631 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)n(CCC#N)n1 549795863 PIYOEKAEGVOBJW-CQSZACIVSA-N 432.506 0.917 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)n(CCC#N)n1 551743755 INFHLLMAMUPEFM-UHFFFAOYSA-N 444.517 0.879 30 20 ICED COc1ccc(CN(CCO)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 558529218 FBSMWRMXCVPLQU-UHFFFAOYSA-N 433.486 0.875 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)C1=O 575766854 HRGWKQYTEXNHDX-WOJBJXKFSA-N 427.549 0.337 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 582574994 OODQXZGLOLXRKK-UHFFFAOYSA-N 445.520 0.914 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cc2)ccn1 583842688 GBXNHTSXPYDRFA-KRWDZBQOSA-N 429.458 0.964 30 20 ICED CCOC(=O)c1sc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc1C 588995315 DLAAXBLUQYFXEV-UHFFFAOYSA-N 442.501 0.860 30 20 ICED N#Cc1c(CCCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)nn(-c2ccc(F)cc2)c1N 590423522 WRXWKRVHKSIKSJ-CYBMUJFWSA-N 449.512 0.430 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 594739718 KLAXFRYQNMAQIF-UHFFFAOYSA-N 447.517 0.863 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(OC)nc1 608884467 TVTJLVFTHJJTEE-UHFFFAOYSA-N 443.510 0.025 30 20 ICED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 609992181 ZOKVJDVMFGXMBG-UHFFFAOYSA-N 438.462 0.829 30 20 ICED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 674292989 ZENXVKHFIULORV-BBRMVZONSA-N 428.468 0.259 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)CC1 729044853 YMBMYTNHRBFFEO-UHFFFAOYSA-N 441.532 0.975 30 20 ICED C=CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 731214617 UWERLSVMFBFMMI-QGZVFWFLSA-N 425.526 0.954 30 20 ICED C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(S(=O)(=O)N(C)C)c1 732461036 KUXZDEIZIGASQY-FKEVTRRJSA-N 435.506 0.824 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3OC)c2=O)cn1 732561207 IUSLHUOLLYPIKP-UHFFFAOYSA-N 435.509 0.906 30 20 ICED CNC(=O)C1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 733896298 QYSMYAIQHMPGTF-UHFFFAOYSA-N 433.534 0.040 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C(N)=O)cc2)c1 750566053 BAGWWLGGLVYNFH-UHFFFAOYSA-N 427.482 0.821 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755626384 IECQNLCHVXEHTE-DSIZOQBWSA-N 442.497 0.039 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CCO2)c1 762001739 DJAYVZQUGQQQMI-FQEVSTJZSA-N 438.488 0.626 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 762938230 AWGCBBQVOXCJCD-ZDUSSCGKSA-N 436.490 0.338 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCn1nc2ccccn2c1=O 766353515 PAMQWQFNJCZJCY-CQSZACIVSA-N 429.458 0.668 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CSc1nnnn1CC(F)(F)F 766981969 JHXSYMVUSSZCSI-UHFFFAOYSA-N 436.397 0.713 30 20 ICED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCCn2ncc(C#N)c2N)c1 768778793 QDIMGNNKQATETQ-UHFFFAOYSA-N 427.870 0.772 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 771245483 QXOOGJIKEWOOQE-CQSZACIVSA-N 437.478 0.605 30 20 ICED C#CCCN1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 776592596 KHWHBBFZCHLGAD-UHFFFAOYSA-N 432.569 0.817 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 779193912 IPRWSBFERSLGPH-QGZVFWFLSA-N 432.502 0.965 30 20 ICED CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)o1 795328423 VXKSQJAMJNYHHD-UHFFFAOYSA-N 427.460 0.423 30 20 ICED C=CCN1CC[C@@H](N(C)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C1=O 799144088 UOHXBRABKBCHPY-OAHLLOKOSA-N 435.525 0.984 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 804497057 UNAKOXFKVNUWPY-NVXWUHKLSA-N 427.548 0.436 30 20 ICED C#CCN(C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCCC1 806270458 UAEYJSHMUARGBG-GOSISDBHSA-N 440.548 0.803 30 20 ICED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 810775491 IIPHLKAKPLQBIV-INIZCTEOSA-N 442.291 0.685 30 20 ICED Cc1cc(C#N)cnc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 815733663 ZRHHCZBZBAUYKM-UHFFFAOYSA-N 449.533 0.969 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCOC)c2=O)c1 917769019 QUCSWNLEIIEMCF-HNNXBMFYSA-N 445.541 0.609 30 20 ICED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1253750257 UVRFTGCFNGPUQN-UHFFFAOYSA-N 431.917 0.894 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CS(=O)(=O)c2ccccc21 1298365876 DDADAVKYWOGCBS-ZDUSSCGKSA-N 433.511 0.803 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)C1 1316528231 VFHZKFYZPOVXSX-FOIQADDNSA-N 427.440 0.584 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1516847704 QQUXTSBHAQPBLQ-OAHLLOKOSA-N 445.549 0.813 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1541991086 SZKAFHZEOFYSES-UZLBHIALSA-N 449.581 0.955 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)n1 1612501665 XBMZMMKGAFTJOM-SFHVURJKSA-N 425.541 0.795 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1692769613 SKRXSSDXDLWVGL-CYBMUJFWSA-N 440.551 0.441 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1706078647 YWUDCDGVPMKAOS-OLZOCXBDSA-N 425.540 0.712 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1708630346 KNTMZORRBYXYKB-OAHLLOKOSA-N 425.493 0.970 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1731012384 VHOWRJARFMBHMH-DLBZAZTESA-N 443.533 0.552 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1748293869 ZQPNNDUSDLKWCO-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1751096075 KXNJFGQAFUSGML-ZBFHGGJFSA-N 436.542 0.326 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1768331437 XNQJAAVFDOWERH-VXKZXEGRSA-N 432.572 0.118 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1778970939 HAMYSBCOQZZLMM-KSFYIVLOSA-N 442.520 0.758 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)CC2)CC1 1780333866 JUHBOQZHMMMTEP-NRFANRHFSA-N 426.521 0.110 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C3)c(C#N)c1 1780687654 FPWRJLDVDREBOV-AYPBNUJASA-N 442.516 0.758 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c(C#N)c1 1781171040 ICBSVVPRCAAOCM-QRQCRPRQSA-N 428.489 0.451 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1781264386 YLRZGNKDKOKGRL-LJQANCHMSA-N 428.507 0.232 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc[n+]([O-])cc5)CCO4)C3)c2c1 1782196950 SLJHKPUBJKYZAZ-QFIPXVFZSA-N 432.440 0.825 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783888835 MNIRIWGRCZPDKA-NJSLBKSFSA-N 431.555 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1784483438 XYQOEFGJLLOXAE-VKESLTNKSA-N 442.516 0.218 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cnnn1 1784601169 CNLMTDHFKFJNOB-ZUOKHONESA-N 435.448 0.126 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(C)=O)[nH]n3)[C@H]2C1 1785840335 WGLCOIWXTMZDPF-MPGHIAIKSA-N 432.477 0.715 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789768255 FLRHXKSZWUDBJK-HLXURNFRSA-N 447.576 0.940 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 1790322620 BWGKERVMWGBAEL-RBOXIYTFSA-N 441.400 0.152 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1790512836 MCZVGFVTUZUITC-UHFFFAOYSA-N 447.532 0.917 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1790877835 CWJKJJKTWZFQQC-IKOXMDCHSA-N 444.504 0.980 30 20 ICED 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#CC1CC1 1793261669 MQRCWKDXCBQBIH-IHEQNBGGSA-N 447.532 0.360 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C[C@@H]3NC(=O)NC3=O)c2c1 1794211756 HVQDRRTVCDCCIK-ZWUHOBOKSA-N 435.444 0.284 30 20 ICED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)C(=O)O 1795640802 QZYKDFWNIVKNGI-NYUBLWNDSA-N 428.489 0.143 30 20 ICED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c1 1799600333 WQJAIBFRPYMOAK-REPLKXPHSA-N 430.530 0.540 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2)c1ccc(O)cc1 1801055622 ACUCJIBTSFARMQ-OPOADAIRSA-N 428.489 0.147 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1801989379 DVNBVDBQISHCEY-GQSCTRQFSA-N 425.441 0.853 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1802125771 RVBGGZAURJCUMF-LXTVHRRPSA-N 433.465 0.189 30 20 ICED C#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 1802128263 PVBYCJUERNUVLN-QMHWVQJVSA-N 425.551 0.811 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@H]1c1cccnc1 1803507713 UJXNSYVYINBOCJ-VRKREXBASA-N 428.580 0.734 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1810333204 INWIRPUTDQMPQU-SIKLNZKXSA-N 429.517 0.795 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1829267289 ODEMMFIWVVKQML-HSJYVMOXSA-N 437.496 0.964 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1829783623 SOVCKPRBWFUSMD-OAQYLSRUSA-N 440.610 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3OC)CCO2)C1 1830223597 BSLGHOPOEVELKW-MBSDFSHPSA-N 446.500 0.569 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1830463293 XESSXOBDCXGVSV-HSZRJFAPSA-N 437.500 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1831386944 CEKXLBHPHSQHLA-FDDCHVKYSA-N 440.500 0.372 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832469002 VIFZCDALTOAMQD-OFNKIYASSA-N 426.517 0.803 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3(C(=O)OC)CC3)CC2)CC1 1833076623 DIWXPOBKOIVLOU-PLNGDYQASA-N 446.548 0.370 30 20 ICED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833453673 RZURHYRLXGTSLX-UHFFFAOYSA-N 435.550 0.506 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1833465867 TUKSNWCOMMPPLS-CQSZACIVSA-N 432.481 0.541 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1834714798 RXZVSJBHROGUFH-UHFFFAOYSA-N 429.569 0.737 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1 1834715524 NEWABIWRLGGCMU-UHFFFAOYSA-N 441.580 0.873 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(C(F)(F)F)n1 1835344542 JWXZICHYCNXWQV-SFHVURJKSA-N 441.410 0.813 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1835365686 RBWJZKMDMNPSHQ-KOXUSJRISA-N 431.445 0.577 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1835365842 WVOHHKNOXXPIHI-QFIPXVFZSA-N 428.489 0.567 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835675214 XIFPECNRLQEHPI-XXBNENTESA-N 444.532 0.458 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836884300 WZKDHZMQDHDYKV-RXVVDRJESA-N 443.610 0.590 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1837396255 DXVUBXBJUAGHOC-VGOFRKELSA-N 433.505 0.739 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837445958 CVJCUIOUQZBYAV-DGEAWOGYSA-N 444.532 0.863 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837466570 BPNJNNXWPNGURK-NRFANRHFSA-N 445.545 0.112 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560237 UITMQYKNJWUEAW-AAADOUPPSA-N 443.504 0.688 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnc4c2OCO4)CCO3)c1 1838478511 NCTJWVKWOLXKCG-OAQYLSRUSA-N 439.428 0.394 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838737565 ZHJNXTDAAFWKGF-WIYYLYMNSA-N 432.477 0.544 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738106 QJRIAAZEIGAXMF-VFNWGFHPSA-N 431.493 0.261 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cc1 1838951008 SLPHONYSFXQIDV-JOCHJYFZSA-N 438.440 0.748 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)c1ccc(F)cc1 1839039472 JMJBCLFRDAPARA-IRLDBZIGSA-N 446.479 0.763 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)c(C#N)c1 1839132421 FOGRMCIAAINHGI-NZQKXSOJSA-N 443.500 0.745 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cn3)C2)C1 1839174344 UXVXADHXLYLZOD-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839224529 LSHHHQXZGIDUSM-UWJYYQICSA-N 437.541 0.526 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839234417 AINONNGTSQSNKT-NRFANRHFSA-N 443.891 0.440 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3cccnc3)cc1)CCO2 1839248164 NAGHVEJODPUEPN-DEOSSOPVSA-N 449.463 0.907 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1ccnn1 1839421862 PBPYOAANRWIXDT-YCRPNKLZSA-N 442.451 0.620 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(Cl)c1 1839423682 QQYIAKTYXNTMQQ-FQEVSTJZSA-N 444.879 0.573 30 20 ICED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1 1839479789 VLCOQPLEALCDJI-IIBYNOLFSA-N 445.545 0.964 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4cccc(F)c34)CCO2)C1 1839598046 OKDVLEJWFSTBJU-OYHNWAKOSA-N 444.463 0.810 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1)C(F)(F)F 1839894721 MZNYSAAVBHEIQA-OAHLLOKOSA-N 426.413 0.379 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840044880 FGJYIRALGXVZGL-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044896 FTXKDHPPUMUJMO-OPAMFIHVSA-N 425.441 0.472 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c2n1 1840160714 QEOWPRMXZDKPFC-FOIQADDNSA-N 433.534 0.734 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840160987 AQPDKJUCYQWWTC-FZKQIMNGSA-N 429.926 0.889 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOCC1 1847939190 CHDSMPQSEJAOMV-SQNIBIBYSA-N 436.553 0.990 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc12 12427423 RJCHOOMYUBPISH-ZDUSSCGKSA-N 447.542 0.968 30 20 ICED CCOC(=O)N1CCC(N/C(N)=N/CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 303885090 MXZNCEGLBSLYFY-UHFFFAOYSA-N 442.498 0.398 30 20 ICED N#Cc1c(CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)nn(-c2ccc(F)cc2)c1N 409560054 AGRXZNIOWLXVLI-HNNXBMFYSA-N 433.469 0.457 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4nc(C)c(C)o4)CC3)CC2)o1 436226443 NPYLGSJHTMKUNJ-UHFFFAOYSA-N 427.509 0.926 30 20 ICED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 440611649 JNERLJIDVOPPQF-UHFFFAOYSA-N 448.545 0.776 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 470403381 GSOSNWCUGLLMFP-DJIMGWMZSA-N 425.507 0.097 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 471357741 KGADRQVWOISOJN-LJQANCHMSA-N 437.500 0.927 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)CC2)c1C#N 472885732 YKCQQAHSRPNHBN-PMERELPUSA-N 432.481 0.764 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 472899311 YJDWAHGFYIFFQO-UHFFFAOYSA-N 448.491 0.480 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O 474969584 PWRLMIFIGYBOEZ-LBPRGKRZSA-N 443.378 0.880 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2C(C)C)c1=O 478750136 XROGWPNYOFEARL-UHFFFAOYSA-N 429.546 0.919 30 20 ICED CN(Cc1cn(-c2cccc(Br)c2)nn1)c1c(C#N)c(=O)n(C)c(=O)n1C 481093488 RFQGFIZKCMEYTF-UHFFFAOYSA-N 430.266 0.935 30 20 ICED C=C(C)CN(CC)C(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 482711526 SUPPPZJIFWPSLX-HNNXBMFYSA-N 437.522 0.694 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489172516 CMYFUXLQEOWXAO-CQSZACIVSA-N 435.452 0.846 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 489323780 UHZMLHJGSVAVLV-JMJMXGFTSA-N 449.558 0.774 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)o1 502730568 JZOKOYFHXSDTBK-MSOLQXFVSA-N 445.497 0.958 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503852426 CDCKMSMSFXDCCR-GOSISDBHSA-N 448.526 0.940 30 20 ICED CCN(CC)S(=O)(=O)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504898795 XNQZOYYGLXQWIR-MRXNPFEDSA-N 435.506 0.551 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 507566863 NPZYXONPJBKBGJ-UHFFFAOYSA-N 437.459 0.557 30 20 ICED Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 508342846 PGVPWVHYVWXYKY-GOSISDBHSA-N 447.503 0.857 30 20 ICED C=CCN(C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)[C@H]1CCS(=O)(=O)C1 512083988 NIGOWVDIIGMOJX-KRWDZBQOSA-N 433.486 0.696 30 20 ICED N#C[C@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@]12C(=O)Nc1ccccc12 513985000 JLRLVGFLLVYHBJ-VOJFVSQTSA-N 431.499 0.951 30 20 ICED Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 516597606 GPAHUWPQDPTNPZ-LJQANCHMSA-N 447.499 0.223 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)c1C#N 517186919 MSWGTSMNJUOVPV-UHFFFAOYSA-N 436.520 0.560 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] 520721215 DWORANDEKRLUCC-UHFFFAOYSA-N 444.469 0.430 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)s2)c1=O 523089581 PNZMQKAMBYMGAI-CYBMUJFWSA-N 435.571 0.970 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCc1ccccn1 523580337 XIDLRVVRQHIFCT-UHFFFAOYSA-N 440.550 0.875 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526082140 OIAUQCGLDQXXBD-NSHDSACASA-N 435.864 0.296 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cn2)c1=O 532394661 YZTLAUYSPXOXTF-UHFFFAOYSA-N 444.582 0.728 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 538312038 UGAQRLUZDGUNKY-QGZVFWFLSA-N 446.577 0.126 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 550107752 PAVNKLLELNQQOU-UHFFFAOYSA-N 448.504 0.781 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 550399755 QXTTXZMMASZOLV-LJQANCHMSA-N 435.532 0.640 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 552902816 RBTPRQIUAHYKHE-XJKSGUPXSA-N 432.506 0.650 30 20 ICED CCOCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 554966009 RFJMOCISJWANBT-UHFFFAOYSA-N 436.534 0.618 30 20 ICED CS(=O)(=O)Nc1cccc2c1CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 554977197 MPILEDKPDCNHLQ-UHFFFAOYSA-N 448.526 0.793 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1C 556317437 ZJXNMCGKLPQMIV-QGZVFWFLSA-N 444.517 0.792 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 558664420 KUZHCEXIOYWUNJ-ZDUSSCGKSA-N 436.498 0.704 30 20 ICED Cc1cc(NC(=O)C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 561568792 CKXCJDWGBFXGBO-UHFFFAOYSA-N 431.474 1.010 30 20 ICED COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(N)=O 566826854 VCATVSONXBTNEI-UHFFFAOYSA-N 432.458 0.026 30 20 ICED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCCN(C)C 569151279 LPHPLQIXGPHHBC-OAHLLOKOSA-N 435.550 0.141 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCOCC1 574664662 ASAQDBPFFOMUCH-FQEVSTJZSA-N 431.512 0.819 30 20 ICED CC1(C)CN(S(=O)(=O)c2cncc(C#N)c2)CCN1S(=O)(=O)c1cncc(C#N)c1 576910663 FBYJGQCIVIUUBS-UHFFFAOYSA-N 446.514 0.694 30 20 ICED COc1ccccc1OCCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588025749 LZRLGVHRVFGYNQ-UHFFFAOYSA-N 440.504 0.843 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1C#N 589272835 HORXUIFJRNHSPB-SFHVURJKSA-N 426.525 1.403 30 20 ICED CC(C)COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 609311571 IEVSLSMJTIZUKE-UHFFFAOYSA-N 442.541 0.458 30 20 ICED N#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 609337866 KDLOESFAQJKQTG-GOSISDBHSA-N 435.550 0.931 30 20 ICED C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)N1c1cnn(C)c1 617038231 XJJCOAPRUSJWMZ-ZMYBRWDISA-N 435.488 0.886 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(F)cc2N)CC1 730005610 ZBIHBTKQGJDNCC-UHFFFAOYSA-N 446.460 0.969 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCCSC 732797567 RPCPGAHNWPPNLW-UHFFFAOYSA-N 449.602 0.706 30 20 ICED COCCS(=O)(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 733227610 OAQGEOVWOLNXHT-UHFFFAOYSA-N 437.499 0.784 30 20 ICED CC(C)CNC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830856 NJRASBSRHIGQTL-OAHLLOKOSA-N 429.433 0.788 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 734041328 WSSPGXNFJRYJKB-CWTRNNRKSA-N 434.474 0.039 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 735590658 JJGRFCNDZQXPEM-SPJFCROGSA-N 435.550 0.894 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 735881449 KZZQRNHPOQDEHR-DQRAZIAOSA-N 441.488 0.837 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1C(=O)NC1CC1 741341591 LBYOTGRVVSHXRV-VZCXRCSSSA-N 426.429 0.977 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC 744598294 WWHPWGBINFPLIQ-LRTDBIEQSA-N 428.445 0.929 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[C@@H](C)O)cc1C 748784895 KURLVGXDYLEPPD-PBHICJAKSA-N 425.507 0.635 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2cc(Br)c(O)nc2=O)C1 757594480 QRUCZYKJHZCZOJ-KOLCDFICSA-N 442.270 0.587 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc(S(C)(=O)=O)c1 774095701 OYPOSNMJWKGURR-UHFFFAOYSA-N 445.457 0.310 30 20 ICED CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 774485835 SSLTXGOSGSZPLT-CJLVFECKSA-N 435.506 0.032 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780066590 DEXVWGQIMWUJDY-AWEZNQCLSA-N 430.461 0.834 30 20 ICED COC(=O)c1cnc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 780311900 GOCPRUKYUDRTER-HNNXBMFYSA-N 438.400 0.843 30 20 ICED CCn1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 781416902 YSDJZOSWWKKDOM-UHFFFAOYSA-N 445.501 0.393 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 783011341 NYEIDKKINIDBEH-UHFFFAOYSA-N 435.955 0.957 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 783538627 DBQAHISCXKHFRD-CYBMUJFWSA-N 426.491 0.782 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1CCOc1ccc(F)cc1 800393107 VMGNDDPQAMJLIX-INIZCTEOSA-N 449.464 0.384 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 806845803 RZKGXVAUXMXVBG-QGZVFWFLSA-N 427.509 0.010 30 20 ICED COC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 807282072 CWYAQOOJEXNISI-GOSISDBHSA-N 445.501 0.513 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808035853 ADCXHZFVEDWUQL-ZIAGYGMSSA-N 433.513 0.628 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)n1 810452333 LXQHPXVCBQAULX-UHFFFAOYSA-N 433.490 0.761 30 20 ICED N#CCOc1cccc(CC(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 810518838 UWPCFTKFDWLLBE-UHFFFAOYSA-N 427.438 0.874 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(F)c2)[C@H](C#N)C1 811042800 ZREMZTUDCXPKEA-IUODEOHRSA-N 426.470 0.979 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278266 GZCYELQVDFOPKB-UHFFFAOYSA-N 443.435 0.627 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc(C#N)cn2)cc1C 813708971 BWGGWLSWDBYZHQ-SFHVURJKSA-N 429.502 0.799 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CS(=O)(=O)c2cccc(Br)c2)c1 813981979 PFMAIJPOACLJCU-UHFFFAOYSA-N 444.288 0.995 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C#N 815449740 AFNQXHOPOKDDLA-UHFFFAOYSA-N 428.536 0.634 30 20 ICED CCc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839247127 CDOVFZOOPXPQBK-UHFFFAOYSA-N 449.536 0.557 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCOCC1 900547297 XNSANCHZVWRBOO-UHFFFAOYSA-N 428.470 0.836 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)C1=O 913584102 MGCRFMOKZVDKKV-UHFFFAOYSA-N 448.501 0.918 30 20 ICED COc1ccc(NC(=O)COC(=O)CSCC#N)cc1S(=O)(=O)N1CCOCC1 914684402 RBTZAUKXLZTCRG-UHFFFAOYSA-N 443.503 0.455 30 20 ICED N#Cc1cccnc1NCCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915921971 RZVSZJVGMBQMEG-UHFFFAOYSA-N 444.517 0.885 30 20 ICED Cc1nn(CCC(=O)N2CCO[C@@H](C#N)C2)c(C)c1CCC(=O)N1CCO[C@@H](C#N)C1 1254339521 YKENDKOYAMUJDC-ROUUACIJSA-N 428.493 0.325 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1286542437 VEZDJHYRIVJIMC-NSHDSACASA-N 441.373 0.570 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CC(N)=O 1322456198 PJVFJPDVAZKHBN-UHFFFAOYSA-N 449.536 0.914 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccon3)c2=O)cn1 1325012956 VZLPXZXBHWNLIY-CQSZACIVSA-N 425.470 0.178 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1554869362 WPFBTKNXRXFKJO-QFBILLFUSA-N 433.490 0.232 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1608571859 MJNKOGVJPOPYIR-UHFFFAOYSA-N 445.549 0.659 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CCO1 1620355121 PFNCBULZFJDPDN-SFHVURJKSA-N 437.504 0.602 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1S(C)(=O)=O 1651555579 JJHFXBNMSPWEEC-CQSZACIVSA-N 435.527 0.987 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1672124511 RCSODQRKWNXTDX-UHFFFAOYSA-N 432.462 0.617 30 20 ICED CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1695801547 ITYZVKKZYXYMRJ-UHFFFAOYSA-N 426.506 0.957 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1731191123 ZCLDXXRPHZMTGU-JKSUJKDBSA-N 432.506 0.401 30 20 ICED C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1751093691 VSUIKRUVLKLNOH-CQSZACIVSA-N 438.583 0.796 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1751240067 ZBWNWQBUXRGDBQ-CVEARBPZSA-N 439.586 0.739 30 20 ICED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)on1 1751973617 YYWOIQLEWGELRV-UKRRQHHQSA-N 434.526 0.410 30 20 ICED CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCOC1 1769782674 XHKQVRCDGSZDFK-OAQYLSRUSA-N 426.477 0.861 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2)[C@@H]1SC(=N)NC1=O 1778080653 KPFBBZOMFGUPMC-CWMDILNDSA-N 433.534 0.607 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1778999919 NQIBGRHEWRJTOU-LAUBAEHRSA-N 436.629 0.460 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nc2nccn12 1779020867 DABSKERZYCSHOI-SGCYSOCQSA-N 439.520 0.953 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779058738 WIRCJCDNWSNNFW-CMKJNKEVSA-N 446.508 0.636 30 20 ICED O=C(/C=C/c1cnccn1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105456 KRLFAJVZHVLFNA-MZHSLKDJSA-N 429.477 0.849 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1779196387 UOWGTCHWWFAXIZ-QHCPKHFHSA-N 433.468 0.964 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937129 PSXNAEHDHPLOJI-JOTOCRJQSA-N 435.550 0.657 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1780738561 OSKHAXVAOSVLRY-FOIQADDNSA-N 449.464 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC)C1 1782397001 UFKQAWSJQWOZTM-FOIQADDNSA-N 425.482 0.366 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cncn1 1782530471 UYGAUZTWTNFUEO-IGQPLSRBSA-N 448.524 0.882 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1785728370 JRYXZSQHZWENTB-IIBYNOLFSA-N 436.509 0.756 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3)[C@H]2C1 1786481992 PFSKNARJCNTRIX-WSRLLZAVSA-N 427.501 0.904 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c(C#N)c1 1786572476 SNBDQSWOGFVCQC-KNTRFNDTSA-N 440.500 0.368 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787384809 FYDCAPITQJLUEO-OTRWWLKZSA-N 429.477 0.619 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788668658 WUQPBDXNGZOLFS-CVYDXHPNSA-N 434.493 0.284 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ncccn13)C2 1792489436 WSAURMHZNNBHPK-GRWXGSDCSA-N 438.488 0.099 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793281293 SZFQUECYRAOVKQ-BASYENTBSA-N 438.525 0.182 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794865984 JQEKBMJTDLISAW-SFNKJDCFSA-N 447.536 0.942 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796868881 IXILULMFCSMQMT-NTNQKNOYSA-N 428.489 0.850 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797713580 UBBSLKNPLBUVOO-YALNPMBYSA-N 432.521 0.701 30 20 ICED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784921 AJSKCNFMEKJJQK-XEMDLRDOSA-N 427.501 0.496 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)ccc1-n1ccnn1 1799866260 JVTVWTXKOLYPMZ-DCXXXQMHSA-N 437.500 0.817 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](N)c3ccccn3)C4)c2c1 1799883504 QPBLHDCFFYFTDQ-VZJWBNGJSA-N 445.483 0.733 30 20 ICED C#CC(=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 1800452381 INGZKEAJAQBEBN-BIWGCHKCSA-N 435.521 0.217 30 20 ICED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800489083 CMQHFIOCIZRCHL-NRSFXHEJSA-N 427.567 0.460 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1801764461 CXUHBZZLMLGKAT-ISGVQESYSA-N 439.472 0.115 30 20 ICED 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]nc1C)C2 1802125583 IURFFQWRDVCJEH-MVJTYMMSSA-N 445.520 0.838 30 20 ICED CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1803481209 VAKAAMIATJTZRR-NENAZPNRSA-N 431.493 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804415987 SLSIYHDMRHGKGY-SYNHAJSKSA-N 440.460 0.931 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)N1 1806635404 IYFYYEUQROGRPR-VRADJDKOSA-N 426.521 0.838 30 20 ICED Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1814037467 SAABNGCPUQBYKC-SJLPKXTDSA-N 436.472 0.662 30 20 ICED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1814493173 SWGRSJVTGBSDMM-GFCCVEGCSA-N 425.536 0.784 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822920681 MEZSKVZTIWQACD-LLVKDONJSA-N 449.489 0.116 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1822925932 AZKZQBDWQCTCMG-LLVKDONJSA-N 431.474 0.962 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2)C(F)(F)F 1825261048 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O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834386307 NVROFBOFEKESHX-QFIPXVFZSA-N 430.505 0.038 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1834756275 SCEBIEJKVJEWHZ-KKSFZXQISA-N 446.529 0.467 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835355038 PTGAPIKIHGPSGQ-JOCHJYFZSA-N 430.505 0.892 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835405286 UMYALNXPZARPLU-FQEVSTJZSA-N 444.523 0.292 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835445153 FDGDXMJSHVSEGT-YJZWQLALSA-N 436.553 0.858 30 20 ICED CC(=O)NCC(=O)NC1CCN(C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1836530668 GEYSZXONWAEYPN-UHFFFAOYSA-N 441.532 0.645 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837241893 WDKCQZSNJXUDRO-DRNULCDUSA-N 442.582 0.073 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837328066 IRYOKLXMXYWLMU-NRFANRHFSA-N 432.546 0.821 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1838661755 RFCNTKZHULCIPO-JOCHJYFZSA-N 430.505 0.487 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1OC 1838840200 ZRSVKXMXVOFVEJ-NRFANRHFSA-N 432.477 0.719 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1840161173 GMFQYULZJZKVGO-ZQIUZPCESA-N 435.637 0.804 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840164206 BTSRYDZBEKSBFC-UIVXKWKOSA-N 428.551 0.741 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840378665 GAKVWZUPGKHHQA-IBGZPJMESA-N 439.538 0.336 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840852722 XQYWCQSSUZFIAX-QPPBQGQZSA-N 441.528 0.799 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c(O)n1 1842296232 LXEAWHOANCHRIS-UHFFFAOYSA-N 427.461 0.275 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846982484 WKAXGZAGCLHKNK-HNNXBMFYSA-N 434.518 0.468 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1=O 19318009 VZDYBHYNYREAQO-UHFFFAOYSA-N 447.879 0.294 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 25856182 SWRBQNHATVKWHH-LSDHHAIUSA-N 447.517 0.108 30 20 ICED CN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 31152210 LFFUUPQNKUIDFG-UHFFFAOYSA-N 448.593 0.602 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2cccnc2C#N)CC1 428249236 XFLXVMHVLNHSHL-UHFFFAOYSA-N 425.492 0.643 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 431506551 ODFWBZMPUNJBJE-UHFFFAOYSA-N 425.507 0.700 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434802345 KFOYHCWTWDWNLC-INIZCTEOSA-N 446.552 0.739 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 438757888 MGOINGDWJTVJHT-UHFFFAOYSA-N 446.533 0.908 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446517206 DUMQDGPGWAIHQM-UOVPBQLFSA-N 429.498 0.688 30 20 ICED COC(=O)C[C@]1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 464608105 JJSFDIDBFZCISC-OAQYLSRUSA-N 443.460 0.767 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 491146838 NGLDNRHSRUSHEB-UHFFFAOYSA-N 427.274 0.973 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCOc1ccc(C#N)cc1OC 512645480 HUYOWQIYPVBXSE-INIZCTEOSA-N 437.518 0.878 30 20 ICED CCCCN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 515562671 SFMIXUDVXLHLEG-UHFFFAOYSA-N 433.494 0.325 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 523070335 UFOULXOGWXPZMU-HXUWFJFHSA-N 434.452 0.827 30 20 ICED O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 554130745 BDZNLUYQHPMKJN-VIFPVBQESA-N 436.328 0.310 30 20 ICED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 558141778 WCCXWOWBMVDPAT-KRWDZBQOSA-N 448.483 0.532 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2c(C)cnn2C)c1=O 571306468 LDQVELNYVPFMCN-UHFFFAOYSA-N 441.513 0.401 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)S1(=O)=O 571811740 ADJRGWIVRRRPLV-HUUCEWRRSA-N 447.517 0.962 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 573412174 FAINIYSTAWVPOL-KRWDZBQOSA-N 442.497 0.633 30 20 ICED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 576072532 MDFHSLWRDRKHIS-ZWKOTPCHSA-N 437.504 0.092 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 577536625 IPGJEMRPQPHQHD-UHFFFAOYSA-N 435.488 0.150 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)c(F)c1 588193685 SIIHFFRVXRUCTF-IRXDYDNUSA-N 442.495 0.845 30 20 ICED N#Cc1ncn(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 588769678 DHMMSFTYSVSAFF-QGZVFWFLSA-N 442.476 0.995 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 609939786 WAFPWJYKDXSGNV-UHFFFAOYSA-N 427.486 0.489 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 610808560 IFPAYHZKZXJXCD-GFCCVEGCSA-N 434.499 0.462 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCc3nnnn3C)c2)c1 611319487 UKYLJJBHPVWWKR-UHFFFAOYSA-N 432.440 0.694 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(=O)N(C)C 611492463 IMRXFRFBPQNVCQ-UHFFFAOYSA-N 446.460 0.773 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 728530669 LUHMPWSFBTYWEZ-UHFFFAOYSA-N 438.385 0.932 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 740518767 MWESRYXFBJZHNO-UHFFFAOYSA-N 428.514 0.921 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 747920733 DGTQJTBVYPSJAK-INIZCTEOSA-N 449.577 0.692 30 20 ICED Cc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1-n1cnnn1 755538893 WNGGEAUWMQTYLC-ZFWWWQNUSA-N 440.464 0.785 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)[C@H](C#N)C1 757897354 IAFYMIIYLDTPQL-SNVBAGLBSA-N 436.450 0.570 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758450636 WCZWQMIJHSHSPJ-ULQDDVLXSA-N 436.557 0.987 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 761026446 ZHHBAMUUMKQJGZ-IBGZPJMESA-N 447.605 0.241 30 20 ICED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 765145896 POZMTCYUKHFQIZ-UHFFFAOYSA-N 426.502 0.324 30 20 ICED COCCCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 770854184 YCYNEDRIWMEIAJ-CAPFRKAQSA-N 446.551 0.394 30 20 ICED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c[nH]1 786904251 SAOCNERRSPFQIJ-UHFFFAOYSA-N 447.429 0.484 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)n1 787116307 MQECSGHMNZCLHB-LJQANCHMSA-N 426.521 0.361 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793826368 KICQFXVRFLGNDF-UHFFFAOYSA-N 443.504 0.712 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275255 IFASTBXPXMNCIV-PXAZEXFGSA-N 426.451 0.859 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H](C#N)C1 796491575 PZISECVRMOTYOF-INIZCTEOSA-N 431.493 0.612 30 20 ICED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 797541650 URQBOSHEOCHSFA-OGTCDWKQSA-N 449.533 0.423 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 799284202 ZVDONUJDFRRHGO-CQSZACIVSA-N 443.909 0.190 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cn1 801288252 RCJQJCQJMHICBI-UHFFFAOYSA-N 434.504 0.521 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 803593497 WLIHUXLBSIQPMH-MRXNPFEDSA-N 443.504 0.267 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@H](C)C1 807319168 UNRBUAHFSBRKEG-JOJWKMGHSA-N 435.550 0.991 30 20 ICED COCCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 843475057 WWYZYMKPRYZAJO-CQSZACIVSA-N 443.547 0.167 30 20 ICED COCCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918271163 TXLHTTGENGKXCJ-LTGZKZEYSA-N 426.495 0.217 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)OCCO2 918872362 IUMCQPLZXQAXKA-UHFFFAOYSA-N 437.474 0.070 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 920612898 BXFJXEFZNBHVEM-NRFANRHFSA-N 448.545 0.799 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1197309819 UDSNVIPZBMNRFA-ZDUSSCGKSA-N 430.280 0.763 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970473 FLOBAEHLHRQYDF-SUMWQHHRSA-N 435.531 0.391 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1315018988 XTXLRIUSQVWRON-GOSISDBHSA-N 436.476 0.462 30 20 ICED CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1315072175 JIEVGDWNYOBALQ-UHFFFAOYSA-N 428.522 0.806 30 20 ICED CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1315696843 MWTRQGYSFAZNBV-YLJYHZDGSA-N 431.518 0.982 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(C)CC2)C1 1334918332 LVEPIFXTKFPBNZ-SFHVURJKSA-N 433.578 0.742 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1359652948 YJVGNEYAYRHSQT-BMGDILEWSA-N 444.533 0.460 30 20 ICED COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1504379744 RLHDNOOQTABUMR-RBUKOAKNSA-N 435.481 0.945 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCOC2)C1 1519564095 QSZXPMMHZLSNAT-MPGHIAIKSA-N 442.517 0.480 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCO1 1596641929 NSBQLZDCCJSOKJ-RBUKOAKNSA-N 426.477 0.573 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CCO1 1620355902 OPXIPRPVYVTMLS-XJKSGUPXSA-N 427.440 0.527 30 20 ICED CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)C1 1652573155 RFGGWDIYOBCITR-UHFFFAOYSA-N 433.465 0.449 30 20 ICED N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1684070956 PTIWBLNAUOWLKR-UHFFFAOYSA-N 429.593 0.830 30 20 ICED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1730475390 VVJQGGBMBRSJBC-AEFFLSMTSA-N 441.492 0.604 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1750210048 JOIKQJIKSAHMQE-LJQANCHMSA-N 448.574 0.766 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CCO1 1750387470 UZEYLBPPSOXTHZ-GOEBONIOSA-N 436.538 0.358 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1767844260 LYUQKDWWOXLPMF-UHFFFAOYSA-N 445.549 0.813 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1779104781 OGSOGXVCNMEVGG-SMFJMBPBSA-N 437.522 0.748 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780067993 UNFLTXMHSPCUPZ-XQQSMPNESA-N 442.501 0.388 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200003 FAPIMWNWNWJELE-BLVKFPJESA-N 433.490 0.440 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1784536781 BILUJACOJKVEGM-WNZSCWOMSA-N 445.582 0.764 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c(O)n1 1784592835 GFJLKAILYWNNPK-BTYIYWSLSA-N 441.492 0.597 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785639639 JNTHQFQFXJJHJO-ZQIUZPCESA-N 444.492 0.050 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3OC)[C@H]2C1 1785864425 SGSKJRVTTXDTIS-ZOBUZTSGSA-N 434.493 0.531 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786844703 NNJXAFJRWDHUPI-KNTRFNDTSA-N 438.532 0.747 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1787408027 ZHAGILBQUVFGON-FOQVRXMJSA-N 448.545 0.914 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccs4)C[C@@H]32)c1 1789343238 WASAICOOFRYKSS-ZOBUZTSGSA-N 441.513 0.971 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790146562 OXNIPZUOXXANGO-FHWLQOOXSA-N 433.530 0.781 30 20 ICED 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[nH]1)C2 1793595994 WLNRJOSLUUMFFY-LOUJCGABSA-N 449.508 0.788 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108350 JMVMGVUEYONQEU-ZURLZEQWSA-N 446.504 0.173 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445850 BSLNMSFFRIILCD-VSLSJCOYSA-N 449.529 0.228 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1 1797784829 PQKKIACEXVAHRN-UPHUGPLXSA-N 442.516 0.777 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cnn2c1OCCC2 1799935334 XTTILWSBIOURNS-IITUFWFWSA-N 427.461 0.581 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OC(C)(C)C 1800591973 XFAUFYINEYCLKL-ITGYSELDSA-N 436.509 0.326 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)c2cccn2C)c1 1801442938 RVHGXYNKHBTMNP-XEMDLRDOSA-N 436.468 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1802499822 UKZQIWKDGNCKNE-ZVYDBLGCSA-N 448.545 0.381 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806617323 IGQYNDXHGNXESW-NFBKMPQASA-N 430.512 0.979 30 20 ICED COc1ccc(CC(=O)N2CCC3(CCCN(C(=O)CNC(=N)N)C3)CC2)c(C#N)c1 1809691052 RTCKOOBBXRYCLJ-UHFFFAOYSA-N 426.521 0.824 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1813045705 GWNCRPMTJVZNIX-KNQAVFIVSA-N 446.573 0.621 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814832346 JKWCNSPXTQOTAT-GFCCVEGCSA-N 427.490 0.489 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815768902 GCERLXLJKFIUHJ-ZBQDVAGSSA-N 441.448 0.712 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(n3)OCCO4)sc2C1 1816959004 IILOTJPJARFAJH-JTQLQIEISA-N 428.426 0.623 30 20 ICED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1)C(=O)O 1819843483 JUAIQGBDHUMZGU-DZGCQCFKSA-N 448.545 0.816 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccnn1)CC2 1819898124 HHOKMKUDPURJNO-PYBFCXIOSA-N 433.494 0.876 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948576 WOWUDPRNADMJLO-PMACEKPBSA-N 446.592 0.898 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898438 FFCWITKMVDJIPW-ZHRRBRCNSA-N 428.489 0.069 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830004477 JWSMKSPJTVVUNL-PGRDOPGGSA-N 438.569 0.976 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2)C(=O)O 1830464862 WAMQKYCQFQIRTO-LYQKSFCXSA-N 441.484 0.978 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831184909 IYNIXJDLUBFZKI-FDDCHVKYSA-N 449.548 0.056 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831419445 MBPAVEJYCIZNRV-PXNSSMCTSA-N 427.567 0.083 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831460160 CCPXJZSPOVECRO-HRAATJIYSA-N 449.529 0.309 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1832458600 SPHWFRHDCWOXNJ-OAQYLSRUSA-N 445.545 0.647 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)Cn4ccnn4)CC3)CC2)cc1 1833106549 ITNHQWMDLVGUKL-UHFFFAOYSA-N 435.532 0.964 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)nc1F)CCO2 1833260103 KZAJAHDTOHNHQP-KRWDZBQOSA-N 426.242 0.686 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c(O)n1 1833702195 MZPGLBNFTSLQCU-HSZRJFAPSA-N 443.500 0.955 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1ccc[n+]([O-])c1 1833908861 UMHHAHMKTUDXEI-JJIBRWJFSA-N 442.564 0.977 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)CC1 1835340978 LLLBRZIIFDJIGZ-FQEVSTJZSA-N 432.502 0.238 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1cc[n+]([O-])cc1 1836052161 MHPUQPSSHMOQIY-HKOYGPOVSA-N 442.564 0.977 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974200 PXODGHYTNRBHBZ-VGSWGCGISA-N 432.521 0.881 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447450 OTWZBUXMOOHHDH-IWGJDDPLSA-N 446.552 0.681 30 20 ICED CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533451 VGUWBKJLNWNIQU-MBTBGIEFSA-N 425.482 0.522 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837562778 PIYNJVKVGFCFIK-VHZQKOCRSA-N 441.484 0.889 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924063 HCHYPZBSNGJSEG-QRWLVFNGSA-N 438.912 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C)c1)CCO2 1837940845 XENAXKQHXFNYID-JOCHJYFZSA-N 431.489 0.969 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838737849 AXPRNUIUNRTAOS-HXUWFJFHSA-N 426.433 0.069 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)c1ccc(F)cc1 1839038036 LVHZFMJDCGVQOX-FPOVZHCZSA-N 432.452 0.373 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839225036 VYBALHRELWETOV-JLTOFOAXSA-N 436.465 0.364 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839841620 ULVGZINQURRRCH-UJKGCTCZSA-N 438.550 0.457 30 20 ICED C[C@H](Sc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040104 OBPJTPJRLPJKFK-HRAATJIYSA-N 432.498 0.712 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3-c3ccccc3)C2)C1 1840042720 KLYASQQIPCPCSZ-XMMPIXPASA-N 449.463 0.907 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840158803 RCQNTDBOHDZVDJ-MDOVXXIYSA-N 443.566 0.771 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cncn1 1840420212 DQXSZOUVCQLIAJ-QVKFZJNVSA-N 442.451 0.620 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)ccc1Br 1845066712 SCTGZACJCCBQFN-HOCLYGCPSA-N 433.306 0.861 30 20 ICED Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCCCC1 11457333 FGRSFDQCBPXRNR-UHFFFAOYSA-N 445.501 0.540 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440398580 LNHKKMYXXZBKPR-UHFFFAOYSA-N 447.476 0.893 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 442318491 BZXPKGGTGLYIRT-XJNFMUPTSA-N 429.429 0.847 30 20 ICED C[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)CC(C)(C)C)n1cnc(C#N)n1 442816759 LKOBJFMRBJPURI-HZSPNIEDSA-N 426.485 0.472 30 20 ICED COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444503977 XUUJBNCYSJXUKE-UHFFFAOYSA-N 440.460 0.737 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)c1C#N 472053021 HAHCHBRMBYKJNP-LAQRGFTBSA-N 437.504 0.239 30 20 ICED CCOC(=O)c1c(NC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 481362707 HGPIGJDLHDTHJM-UHFFFAOYSA-N 441.510 0.728 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCCC(=O)OC 481971711 HXFWTUVHZDZJEJ-UHFFFAOYSA-N 444.538 0.825 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCO[C@@H]2C)cc1 485166930 KDMBSIICSKAOGA-PBHICJAKSA-N 425.507 0.430 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)c2cccnc2)cc1 510941011 IFVKISULAAAGPK-MRXNPFEDSA-N 432.502 0.719 30 20 ICED CC(C)(CNC(=O)NCC(=O)NCC#N)S(=O)(=O)c1ccc(Br)cc1 511923228 PNBNZCZDVGVRPB-UHFFFAOYSA-N 431.312 0.940 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 518181809 RYFRSLGXPOFWAN-UHFFFAOYSA-N 440.525 0.916 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 533309719 QVVUYOKYEYAZTK-UHFFFAOYSA-N 449.577 0.067 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 533884379 ITXPUSFBZRDRDX-KRWDZBQOSA-N 442.541 0.530 30 20 ICED CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 536295705 MEYSJXCXOABIOA-QAPCUYQASA-N 437.566 0.434 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 556171363 TZTCEIOXEDEOFY-UHFFFAOYSA-N 426.565 0.346 30 20 ICED CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 557487118 QSTNMBBJHCXYAO-SFHVURJKSA-N 437.504 0.242 30 20 ICED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 561706559 HIJLHMZKKNSONU-RBUKOAKNSA-N 434.500 0.974 30 20 ICED CN1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)CC1 565736149 DYKHXOWMYFHBPQ-NHCUHLMSSA-N 437.544 0.966 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](N4CCNC4=O)C3)n2)c(Cl)c1 570781427 AYOPVDOQFVOMHW-AWEZNQCLSA-N 441.879 1.352 30 20 ICED CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c2ccccc21 574315143 JEOXNZSPWMSORI-IBGZPJMESA-N 449.515 0.863 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)CN1CCN(C)CC1 574827839 AOMGCWIOBIRRBG-QGZVFWFLSA-N 430.528 0.346 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 608564483 OSECICGGSJAIBX-UHFFFAOYSA-N 436.534 0.584 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 615795206 AAFONRVHCGNWBI-UHFFFAOYSA-N 430.534 0.493 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803036 VQIDGICCYHAMHO-MRXNPFEDSA-N 448.487 0.851 30 20 ICED C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 669803979 FTWZVRTYXWAFOX-UHFFFAOYSA-N 448.505 0.452 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 726043848 TXFSIVJZXGZGMH-CQSZACIVSA-N 446.435 0.383 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 729256823 JDLJUHQNLLMOAQ-UHFFFAOYSA-N 440.953 0.488 30 20 ICED N#C[C@@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CCO1 729980627 RAWLCQQIKXISOI-CYBMUJFWSA-N 444.307 0.835 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 730684368 SHJBFUDUQUQMKM-UHFFFAOYSA-N 442.520 0.024 30 20 ICED C[C@@H](CC(=O)OCCCn1nc2ccccn2c1=O)/N=C1/NS(=O)(=O)c2ccccc21 744115962 GDDGZDOHEPVIIW-AWEZNQCLSA-N 443.485 0.947 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 749667648 VTEGAIWZADMSJQ-UHFFFAOYSA-N 431.468 0.337 30 20 ICED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 754162921 OJDDVMFFDMDASV-UHFFFAOYSA-N 440.481 0.870 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)ccc2C)c1=O 758078146 IMYPTBKYQBGWOS-UHFFFAOYSA-N 434.565 0.827 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccn(C)c3)c2=O)cc1 763436649 KZIZYDHEBJLVSE-UHFFFAOYSA-N 434.521 0.908 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(N)=O)cc1 769780739 RQCAPXLAMWZRQB-LBPRGKRZSA-N 430.442 0.506 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 772300617 QFZYGWGAASQWAQ-UHFFFAOYSA-N 435.465 0.216 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 775009680 TYRQGPIFUXNUHB-LJQANCHMSA-N 427.505 0.960 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCN1Cc1ccccc1 787111109 XZNGTKJFAFYRIV-FGZHOGPDSA-N 439.560 0.983 30 20 ICED COC[C@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 800920453 ODCUKNMQKKLJET-SFHVURJKSA-N 426.470 0.337 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)cn1C 806637788 VGERKTIWHXDKHV-UHFFFAOYSA-N 433.442 0.918 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)(F)F)C1=O 814707923 ACXJSOQEVUPRRU-DMJQWXIHSA-N 434.490 0.925 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785058 DKGMEIHTXPWLRI-UHFFFAOYSA-N 432.462 0.302 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 917769189 VNCOOGABJTYWAU-UHFFFAOYSA-N 441.509 0.847 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)ccc1Br 1191172067 SWGSGACAAUIDCG-KBPBESRZSA-N 435.321 0.897 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1509755999 HZRAYJURIFLCDJ-GOSISDBHSA-N 439.520 0.774 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1556543342 WMRPAWIADPFSBW-INIZCTEOSA-N 441.517 0.884 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1637929520 YXMDDBYDFHDBIV-WMLDXEAASA-N 430.486 0.906 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccnc(C#N)c3)c2)CC1 1640005362 KCUPQBVHEUBKOZ-UHFFFAOYSA-N 427.486 0.736 30 20 ICED N#Cc1cn(CCNC(=O)CNC(=O)c2ccc(Br)s2)c(=O)nc1O 1641970892 SHYJHTIRPSNRRE-UHFFFAOYSA-N 426.252 0.191 30 20 ICED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1664373719 ZOXMFYHZUWVCOR-GHMZBOCLSA-N 427.273 0.550 30 20 ICED COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1711976181 UBLBURWQSCADJP-VQTJNVASSA-N 449.508 0.869 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1729311764 IYIYZQSNYJEBEB-UHFFFAOYSA-N 425.493 0.909 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766749536 GKEJKUBUSDFUGO-JDEFPPCYSA-N 444.565 0.927 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778163116 ILAZZRBUOBLKHN-QFIPXVFZSA-N 442.472 0.609 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892783 LEUMCOMFSMINPT-IBGZPJMESA-N 446.422 0.620 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779102432 YCXAUUDNUVSBLJ-AGDXKCLUSA-N 433.465 0.458 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780895775 SUEUVEHIMIEMNN-QVKFZJNVSA-N 434.514 0.945 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781114122 HAYHLFQBCKFRGC-HYFFOGBASA-N 435.521 0.458 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1781265131 JUPBGCNYIBAQIS-HXUWFJFHSA-N 432.433 0.128 30 20 ICED COc1cccnc1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010788 DZNHADZVRPAYFK-XMSQKQJNSA-N 429.473 0.625 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280301 SOKSKLPSDHWJJK-GEEYGDQWSA-N 447.492 0.638 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1783566935 NRLVZHFRINEPFO-JOCHJYFZSA-N 443.456 0.171 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381335 AGAVANXCXZPKHY-OKYOBFRVSA-N 448.564 0.622 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccncn3)CCO2)C1 1785574701 OOWAFLBQUKGAIK-VGOFRKELSA-N 443.504 0.837 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21)C(=O)O 1786894675 XCBHEXUKRHCOIC-OKYOBFRVSA-N 428.489 0.143 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787015615 FKAVDGOVMBEARW-BZSNNMDCSA-N 429.521 0.110 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)ccc1F 1787122323 KPCSZWQYRLZBQO-IEZWGBDMSA-N 426.452 0.511 30 20 ICED COc1ccc2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)ccc2c1 1787978462 WMXBXSHRPPIRLP-KNBMTAEXSA-N 437.452 0.925 30 20 ICED O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788137898 ZIWNKOFMUPPYBH-WBJIMESSSA-N 435.525 0.280 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3CNc4ccccc4O3)[C@H]2C1 1788551986 UQBBADHAYQWZHX-FPXQBCRKSA-N 427.457 0.317 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)ccc1F 1788557273 MPCWGVQWMPLVAR-YEWWUXTCSA-N 427.436 0.095 30 20 ICED Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652736 LPMZVHKZYCOUED-OHEPNUSDSA-N 433.509 0.851 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)c1 1790750506 JXAHBHWZZRJYBV-OYSPMZIOSA-N 449.504 0.868 30 20 ICED CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793244192 IEPNSMMKNYWVAE-HCBXPFHNSA-N 426.517 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1793342488 HLAHXLSRDRYMQG-XPCVCDNBSA-N 429.502 0.515 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1793593223 CEPITOIGZPULDR-QKPAOTATSA-N 448.524 0.488 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)cc1C#N 1795289384 ICLPFHATFMXSOR-NYUBLWNDSA-N 440.500 0.827 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1795598918 FULJKGVMVQJXSU-JLVBRIDZSA-N 425.493 0.443 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccn2c(O)nnc12 1796288272 QUHPFIJBPJHKIP-XVAHYZHKSA-N 441.492 0.110 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1799304147 PPPSOGCKHASFGU-CWPLJXCYSA-N 430.505 0.932 30 20 ICED C=CCC(=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 1800788375 CDWIKZWZUSVTIE-DCHBRCABSA-N 449.548 0.911 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1801991439 TVBFYUIJFCDOGS-CCWDJLKJSA-N 431.518 0.543 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802114259 LWAMPTJGTRGGOK-LFZDHENXSA-N 443.544 0.968 30 20 ICED 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)[nH]1)C2 1802125273 DLZCKDCXBQFABO-HLPPOEQASA-N 447.492 0.235 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)S)[C@@H]1c1cccnc1 1803507710 UJXNSYVYINBOCJ-LUYZLQTOSA-N 428.580 0.734 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807189335 APQBWYSOFSBIQH-PVDAEAMUSA-N 443.552 0.152 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1807610826 ZDJGKGBCWLWCIB-DENIHFKCSA-N 430.472 0.888 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810149737 QSKUYLXOMWAXKH-IDHHARJASA-N 425.493 0.459 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CSc2ncccn2)[C@@H]1c1cccnc1 1812880168 YCIFUYBLOFSWLT-HNAYVOBHSA-N 425.470 0.758 30 20 ICED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819875868 AUHLXSLFLUWJRU-YLVFBTJISA-N 428.580 0.660 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826936698 YCKZTCWBXIXLLF-MSOLQXFVSA-N 436.553 0.708 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1829768912 KRMPPHFABCJTQZ-FUMRIQNTSA-N 442.516 0.432 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)cc1 1829902106 HJIJNZJPUWWGTK-VWNXMTODSA-N 449.511 0.652 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1832447250 SLOQPHITYYTPJN-NRFANRHFSA-N 445.545 0.807 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncccc3OC)CCO2)C1 1832855533 KYVLOIIIFLUVMX-JPYJTQIMSA-N 445.516 0.518 30 20 ICED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccc[nH]1 1832872830 HQPFLLZAZHBEHP-QFIPXVFZSA-N 428.489 0.004 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1833599962 WOVGCENVGPGYMJ-NRFANRHFSA-N 449.529 0.359 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnc5nc4O)C3)C2)CC1 1835346625 LGULNALEEONFFI-JOCHJYFZSA-N 437.456 0.709 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)c2n1 1835359951 RCVGQEDOJAVYRM-NRFANRHFSA-N 427.461 0.945 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1835768260 VIOPJISYLKJFOQ-SGSZHJQISA-N 447.540 0.379 30 20 ICED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cs1 1835795823 MYNROVSCKBXVTP-OAQYLSRUSA-N 448.545 0.494 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835825557 OCUJBNSQOJQHBU-OFNKIYASSA-N 446.548 0.911 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccnc4c3OCO4)CC2)CC1 1836093467 HVHVFZDSKMRKCM-UHFFFAOYSA-N 428.445 0.084 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836814914 OBGOAXXVMOZNRQ-YCRPNKLZSA-N 444.492 0.829 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837288281 XGXIIRCYRDQWTM-OTXOCUIESA-N 438.528 0.968 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837490862 DBRJLLCOLRNAIS-UZLBHIALSA-N 426.460 0.797 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838405766 PZPFQWNRVDYTRJ-MNQDVBFDSA-N 448.524 0.806 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c1 1838585084 XLCRAADQUQLQNL-JOCHJYFZSA-N 444.488 0.163 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(F)nc4F)C3)C2)c1 1838730973 LKKMMTJBVALYDO-FQEVSTJZSA-N 431.399 0.943 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)ccc1F 1839186126 ASFLWJMYPNIXAF-HXUWFJFHSA-N 428.424 0.128 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572370 TYKFKYNLZGMMRN-WAIKUNEKSA-N 441.484 0.290 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3Cl)C2)C1 1840041106 QQVLKLFSMMOUBP-HXUWFJFHSA-N 438.839 0.566 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1840169165 MVDZCCDMFMJZQM-JOCHJYFZSA-N 431.489 0.972 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840408903 CPSBHAWUVGOSPN-QHCPKHFHSA-N 436.468 0.364 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843037381 CIJFGRKSFLMSTB-KRWDZBQOSA-N 442.516 0.968 30 20 ICED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1Cl 1844734966 KXDFBPHRTZNDCA-UHFFFAOYSA-N 438.835 0.468 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)ccc1Br 1845458218 GYKOQWWUHPHOHA-HNNXBMFYSA-N 448.321 0.731 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 8804472 SCCFFFHZNLFWNE-UHFFFAOYSA-N 432.462 0.715 30 20 ICED CCOC(=O)N1CCC(N/C(N)=N/CCOc2ccc(NS(C)(=O)=O)cc2)CC1 305770939 PQBIAUITNJMSLC-UHFFFAOYSA-N 427.527 0.962 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 410137867 YNUGVFUJPMTEJT-MRXNPFEDSA-N 443.595 0.439 30 20 ICED N#Cc1ccc(O[C@H]2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 428786866 XJBYMBKAVNLWHA-SFHVURJKSA-N 443.529 0.803 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 430397947 XFYOAGSTZFVEQU-CTNGQTDRSA-N 428.533 0.544 30 20 ICED N#Cc1cccc(-c2csc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)n2)c1 437253213 SRSJDJNNORJLCD-UHFFFAOYSA-N 429.502 0.773 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 439361479 UYYFOKZTDYOKDK-GOSISDBHSA-N 437.504 1.099 30 20 ICED CCCc1c(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cnn1-c1cccc(C#N)c1 443697005 ZJYATOSDFLNUMA-KRWDZBQOSA-N 438.488 0.734 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2Cc2ccccn2)CC1 446734012 IWMRUUNQFWIYHO-UHFFFAOYSA-N 425.493 0.020 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 447015209 FLZUJAUJONDEAR-AWEZNQCLSA-N 426.520 0.758 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 448477511 HOLMOTVUVNCVFG-UHFFFAOYSA-N 434.435 1.269 30 20 ICED COc1ccc(NC(=O)Cn2cccc(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 467210717 GYESDOPDZMYAMI-UHFFFAOYSA-N 432.458 0.388 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1=O 479236046 RUNBYDRXBNRTRG-AOSWFRPUSA-N 433.472 0.971 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480791711 ZVQZOCZGWKBSFL-HNNXBMFYSA-N 435.550 0.332 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Br)c(=O)n1C 487378318 PRAKQFGJBPWDBR-UHFFFAOYSA-N 440.294 0.614 30 20 ICED COC(=O)c1c(C)nc(O)nc1SCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 497649231 ZYKFUKOJTZXYEJ-UHFFFAOYSA-N 432.462 0.886 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 511759817 ZSCGVDLAUAKXGX-NSHDSACASA-N 448.423 0.836 30 20 ICED N#C[C@H]1CN(C(=O)Cn2cc(Br)c(O)nc2=O)CCN1Cc1ccccc1 511770262 BDIMPBIWRAWEKM-AWEZNQCLSA-N 432.278 0.948 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 511911620 VGSFDLDRNLFXMT-UHFFFAOYSA-N 434.305 0.649 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1 512411234 WVEBSTRWMJAWIT-UHFFFAOYSA-N 427.486 0.873 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 515250905 NNABUIDIIFAUBM-UHFFFAOYSA-N 444.536 0.374 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519675571 YNEYQRJJXNGNMI-QGZVFWFLSA-N 447.561 0.382 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cccc21 527339720 VCDYWVJOORHABH-UHFFFAOYSA-N 439.476 0.429 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 537817081 NKTPQIUWLIZMLR-LJQANCHMSA-N 426.498 0.960 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 538589800 ANEVAJUSHORSSY-INIZCTEOSA-N 430.461 0.211 30 20 ICED C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 541924801 LDRGJVRWSGLKIX-QWHCGFSZSA-N 448.480 0.944 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCOC1 542011370 QLXNFGLQHOQXDU-NSHDSACASA-N 446.510 0.698 30 20 ICED N#CCCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 542283586 BTTQRFWMTQAWHI-UHFFFAOYSA-N 435.488 0.726 30 20 ICED CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 546146313 BZHYKJYZRINEAV-OAHLLOKOSA-N 428.518 0.926 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 550591655 HRSPMVINALCNPP-IAGOWNOFSA-N 429.521 0.421 30 20 ICED Cc1nsc(N2CCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)c1C#N 555074585 XLKAAHDHXZKBHS-UHFFFAOYSA-N 439.501 0.540 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 569642462 DWTUYJGNYDKCID-VXKWHMMOSA-N 441.576 0.942 30 20 ICED CCN(C1CN(S(=O)(=O)c2cncc(C#N)c2)C1)S(=O)(=O)c1cncc(C#N)c1 575221179 HXNKPOVGKASBMN-UHFFFAOYSA-N 432.487 0.304 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccccc3F)C2=O)cc1 579417347 FDHZFVCAYUUORR-QGZVFWFLSA-N 430.461 0.893 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 583643701 UVFKOAFAIOEVPD-CABCVRRESA-N 426.543 0.292 30 20 ICED C[C@H]1CC[C@@H](N(CCO)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 589261306 MTKDOCHHDSKVQK-PKOBYXMFSA-N 434.562 0.874 30 20 ICED COc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OCC(N)=O 604196020 BDDPRODCEGHYPG-UHFFFAOYSA-N 425.445 0.797 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 609075001 ZWAWDNBAUQTRDU-UHFFFAOYSA-N 439.415 0.707 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)C1=O 623229405 NCOXFIHBPQZTAI-UHFFFAOYSA-N 436.490 0.356 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 728534976 YQBYBDVTNUKDAP-XQRVVYSFSA-N 427.242 0.791 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 728536139 LPNRVZUQQXWOTA-AOMKIAJQSA-N 431.537 0.017 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 728573054 JORVFNFFBHPJSX-UHFFFAOYSA-N 449.577 0.023 30 20 ICED CNC(=O)c1ccc(C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)cn1 728769099 NZKSWSOQQFJVJL-UHFFFAOYSA-N 449.423 0.978 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 729257788 OCSRQKQTBPGETJ-UHFFFAOYSA-N 449.349 0.853 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O 729674523 JDKRCSFJXWRGSH-UHFFFAOYSA-N 437.518 0.121 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC[C@@H]2CCOC2)C1=O 731560356 SBWKAQVYZSCPOW-CZUORRHYSA-N 434.518 0.906 30 20 ICED C[C@@H](CC(=O)NCCN1C(=O)c2ccccc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742575431 QVAGDYWNWFHGFN-ZDUSSCGKSA-N 440.481 0.916 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 747973474 MYXGMUBLIUVERI-UHFFFAOYSA-N 435.550 0.996 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 755482976 VUDZCHAMOSSWFR-CHWSQXEVSA-N 426.499 0.058 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756920463 OKLOKOJYEMXCBR-CHWSQXEVSA-N 425.486 0.503 30 20 ICED N#CCOc1cccc(CC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 760624783 FBVGBOISKRSACF-QGZVFWFLSA-N 435.502 0.006 30 20 ICED C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1N1CCN(C)CC1 765353921 SSQVANMDTXSLQR-IEBWSBKVSA-N 447.605 0.990 30 20 ICED C[C@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 772984970 PVWXIFIXWQGKKH-CVTQAYBASA-N 434.518 0.885 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782909226 UUVYGVYKFSBCCD-HOTGVXAUSA-N 438.477 0.971 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(F)n2)CC1 783206095 QOYGSIVPQHEDOR-UHFFFAOYSA-N 432.433 0.782 30 20 ICED Cc1oc(NC(=O)COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(C#N)c1C 789109250 ADECDBSDZGMLBL-LJQANCHMSA-N 432.433 0.865 30 20 ICED COC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 791514693 TVIACUCRTLHBBF-UHFFFAOYSA-N 435.502 0.894 30 20 ICED C=CCOC[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 796456875 WMDLBXWAYPBLAM-MRXNPFEDSA-N 435.502 0.708 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 801458865 RDLWPXFWIPAFCL-UHFFFAOYSA-N 442.563 0.482 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 804005277 XGVSMRZLVJRRHE-HXUWFJFHSA-N 437.500 0.409 30 20 ICED CN(C)c1c(C=NNc2ncnc3c2c(Br)nn3C)c(=O)n(C)c(=O)n1C 807969032 YYSACUXULZQIPX-UHFFFAOYSA-N 436.274 0.035 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@@H]1CCCO1 809311046 SSFSQEWUIZBVGX-ROUUACIJSA-N 445.516 0.654 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CCOC 838249543 WIOOQFJYEQTBLV-UHFFFAOYSA-N 449.916 0.620 30 20 ICED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 918291603 ZJKQITNNPSVDQD-PYCFMQQDSA-N 435.550 0.992 30 20 ICED CN1CCN(c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 918406729 XJZCAAIBUAAULI-UHFFFAOYSA-N 433.516 0.992 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1116886646 OQZWKEVYPKQEQD-UHFFFAOYSA-N 449.536 0.762 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1295065329 MEKLQCWCYAJPOS-UHFFFAOYSA-N 425.493 0.590 30 20 ICED CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298077335 RULMXRZGCPMSGZ-SJLPKXTDSA-N 449.625 0.945 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 1320664826 NYXPIFDAEQZMNR-BEFAXECRSA-N 436.538 0.168 30 20 ICED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1504264581 VSRSCJDQLIAELP-TZMCWYRMSA-N 438.485 0.813 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1505315829 SYNSWVUDXYUSSY-PBHICJAKSA-N 445.542 0.447 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1612878141 PWOWOEZKMPZLKY-OAHLLOKOSA-N 443.533 0.519 30 20 ICED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1618844752 KSGRVPCKXYCDKR-KRWDZBQOSA-N 445.549 0.529 30 20 ICED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(=O)nc1O 1629903899 RNRKETLCDTZZBN-UHFFFAOYSA-N 433.371 0.407 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1708279178 LUIMIFIFFCCJDI-UZQPLGKSSA-N 440.504 0.970 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1711917667 VPXORVAITHTJPF-LPHOPBHVSA-N 433.490 0.232 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728794716 LAAWOUSOQONZHN-IRXDYDNUSA-N 430.506 0.311 30 20 ICED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1743362063 LUCACIQBFUYJPL-INIZCTEOSA-N 426.477 0.813 30 20 ICED CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771368007 KZCLCZAWVVBRRI-QZTJIDSGSA-N 446.533 0.781 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779065268 XZLIBQQDKLTQKF-HSZRJFAPSA-N 427.501 0.377 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104948 POZAJSKFSZOAKH-WEEQGOHXSA-N 435.525 0.627 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780952962 PQRJQQDREGVTCY-IERDGZPVSA-N 428.493 0.903 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1ccc(O)cc1 1781050510 ZTEOZFQAEPDFSZ-HBDUWURDSA-N 441.528 0.442 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)cc1C#N 1783168271 XKFSNAWVDSMTQQ-MBSDFSHPSA-N 440.500 0.925 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1783923497 JMTWPGCKVNSVGG-HRAATJIYSA-N 439.509 0.849 30 20 ICED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1)C(F)(F)F 1788629828 GSHWPPILPSXMED-IUVQAAGXSA-N 446.466 0.978 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660835 OQJJVCYSTNNENY-UKCPGKBUSA-N 436.509 0.535 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Br)c3)[C@H]2C1 1788822484 UBEWZAAJUIJYJI-IHRRRGAJSA-N 436.262 0.525 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955246 LRHJVYIJBMEPFU-QEOTZNIISA-N 425.530 0.475 30 20 ICED Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(-n2nccn2)c1 1791078870 CIWVRBXJXJHCMF-IEZWGBDMSA-N 437.456 0.257 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791282967 JALFNFVNJWHSTA-QIJPQZMQSA-N 438.525 0.054 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21)n1cnnn1 1791690055 GPCAFAWFLLBGOS-GKEYINFOSA-N 449.475 0.276 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1792489685 IERHAUFUBCLNNG-UPZFBSBQSA-N 440.475 0.688 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793366524 OGSLENMDTAVSRN-KBMWQNTOSA-N 447.557 0.761 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)c1ccc(O)cc1 1795855367 GMNWTTZRYXMIRU-XWQURZDVSA-N 437.500 0.771 30 20 ICED C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796412921 PLJNSBWRNIIYHA-JONQDZQNSA-N 434.566 0.815 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1797740008 OMYIBIFOBMVSAW-PVGKCDGLSA-N 438.532 0.938 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)n1cccc1C=O 1797811417 MQEDKITVQBSSKB-WUGSAGFFSA-N 446.504 0.980 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797814900 BYLVLHLQHRBFSD-SFKKXUDOSA-N 445.520 0.880 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1797816837 TZNYOEBRPDFVIT-AVCCOKLDSA-N 436.509 0.118 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CS(C)(=O)=O)C3)c1 1799798101 ATCIBXGCNYEZAO-DQEVTTJGSA-N 433.530 0.751 30 20 ICED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1800363974 KEZCWEDCOLJHGL-IZZQQSIFSA-N 432.517 0.618 30 20 ICED C#CCCCC(=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 1800994528 ZXNHSSGRKFVQJD-STEXWYFWSA-N 449.548 0.607 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807112472 KUUZXFUOLALHBK-WIYYLYMNSA-N 428.537 0.910 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811453031 XAWABJQPIFAXEJ-VQIMIIECSA-N 437.504 0.766 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1812874250 IMSIPVZKVSSHJL-IIBYNOLFSA-N 435.440 0.000 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1814979798 OHFIFYRRAKENCE-LLVKDONJSA-N 445.553 0.670 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)[C@H](O)N1CCOCC1 1819446299 MVSPDRSNDUGFKJ-ZSCUNEJQSA-N 447.540 0.524 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829902620 UYYMSZXDWQFENT-HSZRJFAPSA-N 437.500 0.533 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1830343316 XTFRUMLSNSFBDY-GOSISDBHSA-N 433.553 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831394179 YPMSSHRGLHSUTN-QVKFZJNVSA-N 427.461 0.066 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CSC2=S)CC1 1831672779 MPFCJFPLLDKFTF-CQSZACIVSA-N 437.543 0.554 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1 1833465771 RSPKAUMHOYRAPQ-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833670455 VXHOONGFARZDHK-FQEVSTJZSA-N 436.597 1.000 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2)C(F)(F)F 1833865078 XFKWSSCMABRICQ-QGZVFWFLSA-N 432.399 0.617 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C(=O)O)ncn4)CC3)CC2)CC1 1833967374 VNHCQOMMOCXFRH-UHFFFAOYSA-N 426.477 0.664 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2)C(F)(F)F 1834531906 ILSDWMSPWJWWID-QGZVFWFLSA-N 430.383 0.674 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1)C(F)(F)F 1834572672 REGAZWDDQLNYTE-UHFFFAOYSA-N 425.473 0.721 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc(O)n1 1835674772 MRAPDLPDFJNINF-QFIPXVFZSA-N 445.520 0.448 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835678029 VGAPJLXBVNJIQC-OAQYLSRUSA-N 430.509 0.137 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811488 SBPMSXDFRURHRI-HTAPYJJXSA-N 443.504 0.601 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837312033 RPDZKIQUYSMCQU-VGOFRKELSA-N 431.489 0.136 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837415093 SRDNZDSZQHTWFA-NSDLYDKDSA-N 437.493 0.665 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837531438 MSDJAQCILQKXAR-YITPPGKRSA-N 449.508 0.246 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837674257 COLROXGGVMUIJC-CSQHKEGFSA-N 448.520 0.460 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837700110 FZJMNOLTQATKTO-ZHRRBRCNSA-N 426.473 0.319 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN4C)C3)C2)c1 1838579096 BHWFSZOFAWNGEY-NZQKXSOJSA-N 442.516 0.731 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1839174347 VFUOWKHFPDCWFT-OAQYLSRUSA-N 433.461 0.367 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273469 FUUITLGMKORHDF-BTYIYWSLSA-N 447.444 0.409 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839450143 YXUFENAWIVXVRQ-FQEVSTJZSA-N 431.449 0.644 30 20 ICED Cc1cc2[nH]c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2s1 1839525571 UMOKXYFKILRSJO-HXUWFJFHSA-N 431.470 0.696 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(c5ccccc5)=NN4)CCO3)C2)CC1 1839634559 QDONHTDNUOGWPW-XXBNENTESA-N 437.500 0.513 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839642060 CJMWLDVIVBNPLN-LAUBAEHRSA-N 425.526 0.292 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c1 1839710579 NMTVXZCNYLLCOE-HTAPYJJXSA-N 438.488 0.789 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782765 ILMMBNJHHLVBLZ-OPYAIIAOSA-N 440.562 0.788 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H]3CCCO3)CCO4)c2c1 1840015436 RRYZEYJJSAMONS-PGRDOPGGSA-N 439.472 0.684 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1840818351 XLZHDQUNWSLTAH-JOCHJYFZSA-N 427.457 0.373 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844178987 QKBFKPJNVNCNTO-MQNTZWLQSA-N 444.532 0.941 30 20 ICED CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)/C=N/O[C@H]3CCCCO3)C4)CC2)CC1 1845102625 UQBVKCAAWKXYDJ-CKMDTHJYSA-N 433.553 0.499 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979872 MTGUCMWASKKJEG-INIZCTEOSA-N 448.483 0.749 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C/N=C/c1ccco1 1847510835 FJJXWZZWLDYVSU-BCWUPHOBSA-N 434.493 0.786 30 20 ICED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)N(CC)CCC#N)C[C@@H]1C 409500785 KGNKXVGTGQMXHD-IYBDPMFKSA-N 434.588 0.342 30 20 ICED COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409562452 QUKRTIDMUHLRIW-DOTOQJQBSA-N 429.520 0.153 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 443128489 KHYJCKDDTSLHSW-UHFFFAOYSA-N 428.423 0.862 30 20 ICED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 462696610 ASCSBOQRQIDJDB-CQSZACIVSA-N 444.535 0.986 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cc1 463350190 USDSYUDXYLCFJN-UHFFFAOYSA-N 441.531 0.803 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 466803541 BLDCCTHMLOIGED-CALCHBBNSA-N 435.550 0.782 30 20 ICED N#Cc1ccc(F)cc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 469097667 VLBOKVGXVVFYQF-UHFFFAOYSA-N 438.506 0.851 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1cnn(C)c1 473222827 PNORHNLUAGAXDU-YSIASYRMSA-N 436.472 0.107 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1 478743889 UABOPRALGPWRJI-UHFFFAOYSA-N 437.525 0.942 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccon1 479363088 TVIOAGTYTQRPPA-UHFFFAOYSA-N 425.470 0.379 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 480941068 XIABISAJIMJKJA-AWEZNQCLSA-N 439.497 0.304 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1Cc1ccon1 480949149 GITGPHQWYFLQCK-UHFFFAOYSA-N 444.900 0.865 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cccc(F)c2)c1=O 488122390 VBRNHKLJWFYHQU-UHFFFAOYSA-N 449.529 0.219 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccn(-c4ccncc4)n3)C2=O)cc1 488669806 BILFJPKSGSLDAA-GOSISDBHSA-N 429.440 0.995 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 489355798 JTKUDCRGZIPRHJ-RBSBEOHCSA-N 449.558 0.727 30 20 ICED COc1cc([C@H](C#N)NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc(OC)c1OC 505527260 SGMJGPPHERMQKK-AWEZNQCLSA-N 441.444 0.446 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505667857 WMZFGZPUWYNBFS-UHFFFAOYSA-N 431.587 0.877 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F 510421549 LIFPJUWRGJLSQE-LLVKDONJSA-N 430.386 0.567 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CC1 512479862 JIOHECUNUFXTSI-OAQYLSRUSA-N 432.613 0.699 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 516831983 NNVHKWNGIBBZGZ-UHFFFAOYSA-N 444.557 0.815 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC(N)=O)CC1 532349430 KZKIYBWIPVGQAC-UHFFFAOYSA-N 425.283 0.728 30 20 ICED C=CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 533065375 IZLSJRWFHYZXLH-ZFWWWQNUSA-N 427.548 0.287 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C 533380967 ZZPNBIPZEUVGRA-AZUAARDMSA-N 434.562 0.638 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 538147508 JGQQQHSEBBZBNV-FQEVSTJZSA-N 429.569 0.554 30 20 ICED CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 548915403 XXMRDSOQYAAJTF-HZPDHXFCSA-N 436.534 0.568 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 552665956 AHNLRRYOQJVIAY-UHFFFAOYSA-N 427.549 0.738 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558055309 DITKHFXLEHIFTO-UXHICEINSA-N 441.532 0.345 30 20 ICED CN1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 569747293 NAHITYIOYZEGCZ-QGZVFWFLSA-N 436.520 0.706 30 20 ICED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(N)=O)c1 570991845 DAFDBKQDUGHBLJ-UHFFFAOYSA-N 435.509 0.440 30 20 ICED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC)n3)c2=O)c1 571108157 MPLWPPBNZSLFLX-UHFFFAOYSA-N 436.493 0.950 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 573429127 BZYREJLEWNPJNQ-ZDUSSCGKSA-N 435.444 0.379 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1Cl 579189705 NZTGPDVHPYVFKI-CYBMUJFWSA-N 431.901 0.466 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)CC1 583532159 NVEMAMSZMCQSIK-IBGZPJMESA-N 430.549 0.351 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270167 QRUUDJVNJDTWQI-UHFFFAOYSA-N 440.525 0.132 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 728530863 WOWHEQFXDRRJSU-GOSISDBHSA-N 436.516 0.309 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 732156410 MWFNYMNTNZUGQA-DOXHGZAWSA-N 438.531 0.852 30 20 ICED COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1 732977865 CBCBVHZNHRVBAP-UHFFFAOYSA-N 434.424 0.635 30 20 ICED CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 733202323 QAGCPWSZDJLITJ-UQXYCRSVSA-N 426.564 0.883 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 733891470 UOXNZBVKZXMUTL-AWEZNQCLSA-N 428.474 0.182 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(Cc4ccccn4)nn3)CC2)o1 745578654 WTISRULLCDVRQM-UHFFFAOYSA-N 436.432 0.395 30 20 ICED COc1cccc(CC(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 746171374 ULIUHVRKNDJTBG-DQRAZIAOSA-N 426.473 0.825 30 20 ICED CCc1c(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754533307 RDBMWPSWAQKGIC-UHFFFAOYSA-N 441.469 0.326 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 757588709 BTNKDUOZUMBOEN-RRQGHBQHSA-N 426.477 0.982 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 758049518 HFCUVVJLOVTLHW-UHFFFAOYSA-N 442.591 0.955 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 758639552 FRCALYGPDVROLT-DZGCQCFKSA-N 433.494 0.914 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1Cc1ccon1 765145771 SLGYUINCSCZGHG-AWEZNQCLSA-N 441.513 0.907 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c(C(=O)OC)nccc23)CC1 766814461 ATVLGXKLAIJCNL-UHFFFAOYSA-N 444.513 0.467 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1)c1cc[nH]n1 772660237 QWPNUDFJWVNJKA-UHFFFAOYSA-N 440.382 0.855 30 20 ICED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 778521730 GSVPGINDLSEWDG-CQSZACIVSA-N 431.923 0.486 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780052076 WULWWRPQKHXNNY-HNNXBMFYSA-N 437.522 0.647 30 20 ICED COC(=O)c1cnc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 780311914 GOCPRUKYUDRTER-OAHLLOKOSA-N 438.400 0.843 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 783481551 PVUOEEPNBXXUBZ-HZPDHXFCSA-N 438.477 0.971 30 20 ICED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789619492 XTGKOBHRHLGZIK-GHOZOMOVSA-N 437.522 0.421 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC 796240863 DRKAWMNTOYYPAT-HNNXBMFYSA-N 448.542 0.578 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCc1ccc(Br)cc1C#N)c(=O)n2C 805365368 SMZVZYBCSGIREY-UHFFFAOYSA-N 432.234 0.811 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c(C)c1OC 806611605 XDPTXKNVCXXKIX-UHFFFAOYSA-N 433.511 0.307 30 20 ICED N#Cc1cncc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c1 810035643 UTZCJXHBGGUEQJ-UHFFFAOYSA-N 436.471 0.604 30 20 ICED CC[C@@H]1[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 810581874 YJPBGIFFMJHBQO-SOUVJXGZSA-N 427.523 0.988 30 20 ICED C=CCCCS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 813677443 JBUBIXCPUIWFJT-UHFFFAOYSA-N 437.584 0.849 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C2CCC2)CC1 814253574 ICDONIFBMYYBJO-UHFFFAOYSA-N 425.558 0.640 30 20 ICED COc1ccc(-c2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)cc1OC 814743866 MLWYBSWGOIWJMI-UHFFFAOYSA-N 437.507 0.984 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 838172402 FFXODKKLTIBZHX-CQSZACIVSA-N 431.514 0.219 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cc(C)cc2C)c1=O 916199914 NGWMPDLQWGVIBD-UHFFFAOYSA-N 441.553 0.843 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 916620370 GGPJJTHTRCASCU-HNNXBMFYSA-N 437.474 0.181 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(=O)N(C)C 918729442 DACJWEQGHJDOFP-UHFFFAOYSA-N 432.452 0.081 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CCO1 1299138609 XUUAXMJMOFETKA-DYESRHJHSA-N 428.493 0.555 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C2CC2)cs1 1360714152 NDGLMGLBASPOMF-WCQYABFASA-N 437.551 0.999 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)CC1 1460631872 LAPCEJJSTSGENB-CVEARBPZSA-N 425.580 0.600 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccn(CCN4CCNC4=O)n3)C2=O)cc1 1477113694 UGQXINRIDFYQQP-QGZVFWFLSA-N 436.476 0.703 30 20 ICED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1503281930 LMGFTTSWLGZUJN-INIZCTEOSA-N 431.522 0.677 30 20 ICED CN1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(N2CCOCC2)CC1 1557024375 TXZJUVMIAMMMFM-UHFFFAOYSA-N 434.562 0.386 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1561140435 VQRJGRCDUGZGTF-UHFFFAOYSA-N 430.461 0.889 30 20 ICED C[C@@H](C#N)N(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 1659340839 YWCXNFZQYYPRSB-HNNXBMFYSA-N 434.518 0.667 30 20 ICED N#CC1(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCOCC1 1684722246 INEXJBUDGOPLGV-UHFFFAOYSA-N 427.449 0.467 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)n1 1693433416 YMOPMXYJARCGHY-KRWDZBQOSA-N 433.538 0.693 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1710156839 UFBSQNGAASUFEF-WBVHZDCISA-N 439.586 0.834 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1724011264 OUAFDBDQFCBZKT-UXHICEINSA-N 430.534 0.944 30 20 ICED CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726808740 IRFAMTCFRZHADD-IIBYNOLFSA-N 441.540 0.630 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1729556847 NUDRBAREQNWDIP-OAHLLOKOSA-N 437.547 0.732 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1742283395 IUSARRMRDDYHRH-FXAWDEMLSA-N 447.517 0.444 30 20 ICED C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1743368124 TWVITPWUDNDYOD-QGZVFWFLSA-N 439.520 0.728 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1768976782 SZAUIJDMNPELIN-UHFFFAOYSA-N 429.506 0.991 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1778948378 HIFYIFDGEOEJPY-KSFYIVLOSA-N 427.505 0.638 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779103159 NIHBBZCSHHMQPK-HOTAGGJMSA-N 436.425 0.290 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779408101 VHYDTAZNRRXHTE-JBYIUTFZSA-N 449.504 0.689 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1)c1ccc(O)cc1 1781255131 RRSCRYKOPUJBOG-WCAVRKLYSA-N 427.501 0.854 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(C)nc3ncccn13)CCO2 1781269245 GQBIOBKWQFIQOQ-JOCHJYFZSA-N 441.488 0.991 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1781397056 UTNDVTVEORJKBV-QVKFZJNVSA-N 444.492 0.575 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961251 JUCJJXPRHRHWIH-JLTOFOAXSA-N 437.493 0.822 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782421253 QKKZJRLSTVKFEV-SPLOXXLWSA-N 444.513 0.608 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1Cl 1782667068 SDIAEOFWEMIBND-NRFANRHFSA-N 441.875 0.912 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCNC(C)=O)C3)C2)c(C#N)c1 1783189612 VANAGYCLBBYZDQ-QFIPXVFZSA-N 428.489 0.465 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1783272090 LQIHTHZMBLTGJL-AHWCRGGASA-N 436.553 0.928 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567400 NBCWMPBHBXZSQY-RTOPAQNCSA-N 447.488 0.304 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783661881 QCSUPFJJNWILFR-FQEVSTJZSA-N 430.567 0.805 30 20 ICED O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1784034081 GYEVNFIRBWJEMS-FLSNZFEDSA-N 431.514 0.843 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331852 GDEIUTCHDWYNOC-YEWFCNIMSA-N 442.516 0.776 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnnn4C)[C@H]3C2)c(C#N)c1 1785466731 XYTHDJJEIGDJKQ-QSFXBCCZSA-N 438.488 0.531 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1785571928 HQZYCSQPHYNCEE-YCRPNKLZSA-N 439.509 0.352 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1785576105 HWHDBWSZQIVNBF-HTAPYJJXSA-N 445.520 0.699 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1789891320 NDUZWYGTLMSKAA-BZSNNMDCSA-N 441.488 0.832 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1789892506 YTXGBLYHGTUYAU-IEZWGBDMSA-N 441.488 0.832 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790143440 YZQLVLPHJDLPPH-FHWLQOOXSA-N 443.573 0.830 30 20 ICED 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)O)[C@H]2C1 1791054927 YXVBVMOWBCQDHM-JRVAAPGDSA-N 437.537 0.816 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C3)C1 1792441429 KNHYKEZUZBOGKC-XMTFNYHQSA-N 437.537 0.818 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467559 ONLVJUGXCIAQFN-OPMZPASUSA-N 444.557 0.575 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556367 IDUVRSKATTWFOQ-DEYWJSPQSA-N 448.545 0.018 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1793351039 ARHFQBUDMWRVJS-HGKCTWBKSA-N 443.504 0.517 30 20 ICED 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](CC)NC(N)=O 1796760680 IXUPZDISHDZYOS-BQJWPVKWSA-N 449.552 0.988 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797815140 JWHXKKLGJGODHZ-GQTKTZLJSA-N 432.477 0.817 30 20 ICED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)CC1 1797816824 SZAXVZQKIDZERP-KJCJHMIBSA-N 437.493 0.448 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799191565 HISWCOIMJYLLQX-AKHDSKFASA-N 435.569 0.157 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1800964731 PCSKHJDROFESDU-APAFKAMOSA-N 448.564 0.837 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804093469 AGRRYJGVAHRYDI-SIXWZSSISA-N 444.492 0.440 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1808464004 JNOGOUBAQDSCNC-VDZJLULYSA-N 441.492 0.845 30 20 ICED CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810331757 QUCXZHNYAFCVCM-PGRDOPGGSA-N 426.517 0.922 30 20 ICED Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1814200990 BDXWOIRKGREITN-CVDCTZTESA-N 448.479 0.914 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)CC1 1826195555 BWVDRDJCSHMNTK-VQIMIIECSA-N 441.532 0.898 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829710623 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1833142775 KCBWHHIAJLCUGV-UHFFFAOYSA-N 439.560 0.881 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833173662 PBQPJRQDETZKPU-KKSFZXQISA-N 435.908 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834352620 FRRRCMDHFFVDPJ-YOXWTLATSA-N 432.452 0.149 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)C2)CC1 1835339823 UOLJWHHWKOXCOQ-NRFANRHFSA-N 428.445 0.897 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)CC1 1835342161 MEJLBVNQVZJVLU-OAQYLSRUSA-N 428.445 0.227 30 20 ICED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835382501 XEYNESSOTUFXRE-QHCPKHFHSA-N 428.533 0.899 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835887038 DKJYKEXEYWJFIU-NRFANRHFSA-N 425.526 0.340 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1835988967 BYXAZEXQOILSBL-YQNSVDCASA-N 446.552 0.281 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)n(C)n3)CC2)CC1 1836201674 VHRXOCIBXWCDPM-INIZCTEOSA-N 431.537 0.652 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nc[nH]c34)CCO2)C1 1836420431 KSSPTYBTPFEMRC-OPAMFIHVSA-N 426.473 0.671 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147536 PSJITKJHGFTFBJ-GCJKJVERSA-N 447.557 0.954 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837397841 WQXWZXNUACVALP-AUUYWEPGSA-N 428.555 0.033 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837399521 VSRXHYSSJBVEDH-HTAPYJJXSA-N 443.504 0.372 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837444217 SJYLQAIWSUGKNX-HLQTZPMBSA-N 433.484 0.762 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)c(O)n1 1838314563 ZYTUYGBXQVWCKA-NRFANRHFSA-N 443.460 0.673 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n[nH]1 1838665047 QUBQJPRMEAODJW-JOCHJYFZSA-N 449.471 0.850 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1839175140 QXAKJBWZYFVLTQ-JOCHJYFZSA-N 448.520 0.562 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nnc(Br)n4c3)C2)C1 1839807789 MAFHURSLMFKDFA-GOSISDBHSA-N 448.277 0.195 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)(C1)C2 1840003460 SCYBOXILIAHRJM-HRTMPFAESA-N 448.520 0.804 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840165855 MDALTAFHSXXITO-HRAATJIYSA-N 438.546 0.987 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840442482 FZVLYKASBBUXEX-UWJYYQICSA-N 434.493 0.410 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CN)c4ccccc4)C3)C2)CCC1 1840812939 TXVWOUBVWRLYEH-WMZHIEFXSA-N 426.517 0.879 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](N)c4cccnc4)C3)C2)CCC1 1840812992 WZMRLKJRNVGFTQ-XMSQKQJNSA-N 427.505 0.622 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)CCC1 1840815589 ZWZSJSIUPQLCGF-NRFANRHFSA-N 429.477 0.265 30 20 ICED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)cc(C(F)(F)F)c1 1841892009 IGUAUVFHAQKWNQ-UHFFFAOYSA-N 449.389 0.946 30 20 ICED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nn1-c1ccccc1F 1843185905 CCEUZUASSSPEHY-UHFFFAOYSA-N 426.404 0.925 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccnnc1O)C2 1847070109 UGMHGFHHWAWGBW-OAHLLOKOSA-N 429.477 0.916 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCO1 409493538 VZFJCOBYGUMPMR-WOJBJXKFSA-N 447.561 0.264 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(=O)NCC(F)(F)F)C3)CC2)o1 426127558 IXNFQZRZMUMVSC-ZDUSSCGKSA-N 428.415 0.504 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 437053417 VXWHONFGVADHFF-VDGAXYAQSA-N 443.500 0.737 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1=O 464530643 VDGKUHINMPZFLP-UHFFFAOYSA-N 429.477 0.228 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1C 464863580 VTOOPBJUOPEEAQ-HNNXBMFYSA-N 443.533 0.714 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 465180515 ACMQFTPXXJZAFV-CQSZACIVSA-N 445.505 0.048 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2C)c(=O)n1C 469091468 WQWIKQUUBUYCIY-UHFFFAOYSA-N 436.331 0.783 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)NC(=O)CC4)CC2)c1C#N 472873843 WHWNHXMTBIVKSW-UHFFFAOYSA-N 439.451 0.911 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 474280167 UVXHYZKIZSDQBV-AWEZNQCLSA-N 448.505 0.099 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 487169963 YXSZNXRETIXOPI-LJQANCHMSA-N 445.545 0.915 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 489323784 UHZMLHJGSVAVLV-PJJNOWNLSA-N 449.558 0.774 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 517166333 HTIRCKUVEMOZES-UHFFFAOYSA-N 425.420 0.849 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCOC1 532756033 JQMXRUSHMLLNJR-ZDUSSCGKSA-N 449.479 0.490 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)s1 541382472 CNAHCSFKGVQMGM-UHFFFAOYSA-N 438.487 0.547 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542932042 MJAWKLQBACUKND-UHFFFAOYSA-N 436.515 0.945 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 560777132 IRSPASHILIHSAS-AYHJJNSGSA-N 434.562 0.964 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 562326494 GXLMLOVWRRMVCJ-QGZVFWFLSA-N 434.499 0.285 30 20 ICED CN1CCN(c2ncccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 570556174 ULICGBVJNVAEQO-UHFFFAOYSA-N 428.518 0.300 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 581095615 WFUOGYYMMIRYHR-FUHIMQAGSA-N 441.532 0.785 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590897265 HYHFYQRFXBQLDV-CQSZACIVSA-N 441.509 0.537 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606086911 SCTTZOUJEAFRCE-IBGZPJMESA-N 426.498 0.960 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 611348607 CYYMWNQFRACENQ-QGZVFWFLSA-N 440.504 0.861 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)C1=O 623181061 BWCKDCGXCYTFAQ-UHFFFAOYSA-N 441.488 0.309 30 20 ICED C[C@H](C(=O)NCC#CCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C)n1nnnc1C(C)(C)C 681338862 HOVCKGDJOYTQSE-ZIAGYGMSSA-N 444.544 0.313 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729674572 KLFJHIBDPDNTNL-UHFFFAOYSA-N 439.584 0.435 30 20 ICED COc1ccc(N2CCN(CCNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732456300 UZOXSBPTDWCJGJ-QZQOTICOSA-N 442.520 0.643 30 20 ICED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 732484006 NCXHYUBOMHIGSJ-RYPAHKROSA-N 449.533 0.423 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039040 HUEYSHPJRWWODU-DJJJIMSYSA-N 436.490 0.285 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)cn1 743728663 NYOISILJLLLOJQ-UHFFFAOYSA-N 431.562 0.684 30 20 ICED COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 743928184 MFTMBVHWVJFIBZ-OSGFXRFRSA-N 438.506 0.312 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 749638974 IHOFSKDMUBYWFJ-UHFFFAOYSA-N 428.489 0.714 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2c(F)cccc2Cl)c1=O 758050775 SVCUOWCLWLXIKC-LBPRGKRZSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)cc(C)c2)c1=O 758090299 PGQYNGATTYKFOQ-UHFFFAOYSA-N 434.565 0.827 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 758758829 JXJLZMKUADPHRY-ZBFHGGJFSA-N 443.508 0.771 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 764593753 FVFSKTVWJJEYTQ-INIZCTEOSA-N 435.550 0.286 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 765145564 JYCIZTXXAHRPBI-UHFFFAOYSA-N 440.529 0.999 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1ccnn1C 765641532 MCXZUORMHGJECP-CYBMUJFWSA-N 439.519 0.523 30 20 ICED C[C@H](CC(=O)N1CCCC[C@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 769733319 NRYCCVKHVCURMA-KGLIPLIRSA-N 427.548 0.929 30 20 ICED COCCCS(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 769844988 NMTNHEDXYKMXGW-UHFFFAOYSA-N 449.533 0.264 30 20 ICED CCOC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 781375528 PFYJBHMQWBFNGO-SUNYJGFJSA-N 437.518 0.978 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 783541740 JSKQESQYGNIJHG-UHFFFAOYSA-N 439.353 0.787 30 20 ICED CNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 784426534 TZNBZHUZVYDJPU-PGMHBOJBSA-N 445.567 0.950 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NCC(=O)c1ccccc1 786289365 UXELJZBGDOWMHJ-CQSZACIVSA-N 429.454 0.767 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 811042908 SKTNVXJLIGEZGQ-HOCLYGCPSA-N 433.490 0.712 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 914634976 OAVTYQIKHZAMNP-ASSNKEHSSA-N 428.445 0.929 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOC 916198715 UKEOSHCNLDTQKU-UHFFFAOYSA-N 431.514 0.221 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)C1=O 916617297 PHGYTMRCPLHYEV-KAMYIIQDSA-N 442.453 0.816 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)CCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917010320 BCYQNBKFRZZWEK-INIZCTEOSA-N 427.417 0.491 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCC2 919131654 IBKAVKCEHBBIEU-JTQLQIEISA-N 437.503 0.691 30 20 ICED CN1CCN(C(=O)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 919872091 SRABUUATADMGHZ-UHFFFAOYSA-N 441.513 0.751 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)nc1 1115968645 QBUFEXIISXPRKP-NVXWUHKLSA-N 431.518 0.074 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1256686531 YQQSPSFPRMKATH-UHFFFAOYSA-N 442.541 0.947 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1299292657 JLERPNJJHHQROA-KRWDZBQOSA-N 443.533 0.926 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 1324255139 JBWFUDQMZCDDHN-HUUCEWRRSA-N 427.486 0.459 30 20 ICED CN1CCN(c2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1324586575 JXZDDLQUDVEBGX-UHFFFAOYSA-N 427.530 0.905 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)C3CCOCC3)CC2)c1C#N 1478673777 YJOABNHCHFHEKH-UHFFFAOYSA-N 427.552 0.749 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505323858 JKXGMQHVIKPZCO-IBGZPJMESA-N 433.472 0.905 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1COCCO1 1513400965 OUSTVDDBSKAWMB-MSOLQXFVSA-N 431.541 0.788 30 20 ICED CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1519505001 UZBUPBHSXJTVRX-HNNXBMFYSA-N 436.538 0.600 30 20 ICED CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1547419046 VUYNOKCKUMJFPE-UHFFFAOYSA-N 449.523 0.972 30 20 ICED CN(C)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552677648 ACDONHBSRIQURZ-KRWDZBQOSA-N 428.541 0.559 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CN(C(=O)OCc2ccccc2)C1 1638954156 LMHAZDUMDHADEW-UHFFFAOYSA-N 428.470 0.862 30 20 ICED CS(=O)(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712685485 ILVYOQBQCUOJQF-QGZVFWFLSA-N 433.469 0.945 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760696935 VLAOKFIUPMYXSR-IRXDYDNUSA-N 439.586 0.693 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779064376 ITSIDEOVBBETGW-JOCHJYFZSA-N 429.473 0.635 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Nc2cnccn2)C1 1779389881 MSIFCAINXUECMC-VDVULAQNSA-N 429.521 0.829 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2cncn2)C1 1779494841 CBURVLTYVAUEPY-JSCRDMCUSA-N 444.536 0.287 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236115 NEQAOJQUGKYIOW-SZNDQCEHSA-N 445.428 0.805 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781562255 CRSASGVMJMUXFK-ZBQZNYHESA-N 438.506 0.589 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1782199527 RKUSENRKTPXXNI-SZNDQCEHSA-N 434.460 0.731 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280856 ZRHJWSHLEUNMNS-OAQYLSRUSA-N 432.477 0.619 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]3CCO[C@H]31)CCO2 1783056324 UKKBMBKQPOICJN-MUCNXURCSA-N 447.532 0.722 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1 1783890049 NYCJMUDPMDUSSY-BEFAXECRSA-N 426.560 0.917 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1785430214 QXQBKZVUZHYRCV-VGSWGCGISA-N 437.537 0.894 30 20 ICED C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785440560 OWGRKLKWQPHQKH-GKXWKTPHSA-N 430.553 0.971 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785713847 SOSVXOASBXPLTK-DUPGQFARSA-N 427.548 0.397 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)C(=O)O 1786896678 FIZCOFSCUJONPX-LDFDMIBHSA-N 449.529 0.529 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1788603337 YANLPQFQNUQDEC-RJKWBWEDSA-N 432.481 0.988 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1789953636 HEYVJFKMIZWHSW-OTRWWLKZSA-N 436.469 0.572 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791283971 XRDDCWIFGWMGNF-DQKQSUEQSA-N 426.510 0.155 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1793347800 IZKGQVDZUKNBJJ-MBTJXNSCSA-N 437.496 0.524 30 20 ICED CCN1CCN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cc2)CC1 1795084500 ADGJLPFNYBZFFH-HATOLVCRSA-N 425.533 0.945 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1797740936 GDDGNOHDTDALNG-NWIFUHBESA-N 431.493 0.071 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201075 FPZFWSFORYYIDD-CWLGOENISA-N 430.505 0.381 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@@H]1c1cccnc1 1807912450 YAFPJZUKAYWEIU-WKDRNLAYSA-N 441.576 0.762 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1810354224 NPNVHYPGCWSKFT-SFGWALBWSA-N 438.488 0.252 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881452 XUGGDKQNXJLAOF-WJPUGNRLSA-N 449.467 0.389 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881453 XUGGDKQNXJLAOF-XPIZARPCSA-N 449.467 0.389 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815249334 SBYFHSWZNUVFBX-YJBOKZPZSA-N 427.571 0.643 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)[nH]n2)c1 1820309402 ZUTMLRBXQWJVIP-QFBILLFUSA-N 427.465 0.566 30 20 ICED CC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828795917 WJPRKMOOXYCRNJ-JOCHJYFZSA-N 441.440 0.116 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1829762774 RAOKUHDSYRCXRG-XZZFYQAUSA-N 425.551 0.256 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1830341051 IEBGDJRJQITVJI-KRWDZBQOSA-N 448.520 0.667 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830617760 UTUNAFFYZQRHHF-NZQKXSOJSA-N 429.517 0.964 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccc(OC)c(OC)c1OC)CCO2 1830887343 AANFIQBWWMIGQW-WCYCAPIHSA-N 444.484 0.815 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165790 RWSAEGBEFZHOEX-IAGOWNOFSA-N 437.537 0.722 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1831401495 AWYYMTJEBMKQKN-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1831424067 CAOCHUQWMBTAJE-JBYIUTFZSA-N 433.505 0.909 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831694747 RUROZJQJTWHXNW-IERDGZPVSA-N 440.541 0.406 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1832462113 AMVPWAMLELMCTK-NRFANRHFSA-N 436.578 0.955 30 20 ICED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1832930526 IGQKVMITTACIRJ-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833824598 QNWXDDDCBLHWSB-NRFANRHFSA-N 448.476 0.192 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767097 LSQCYXMDXJMTDW-NPFVIJTESA-N 448.520 0.613 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4c3CCCC4)CC2)CC1 1835002527 FJSXJBIIRNWOTK-UHFFFAOYSA-N 427.505 0.562 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349753 VOMLCNGPIBKTAM-NRFANRHFSA-N 436.509 0.661 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835681298 WQZFSWHLFURYBM-QFIPXVFZSA-N 431.537 0.685 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)cc1 1835794242 XFWQJMWUIQDZPW-HXUWFJFHSA-N 427.486 0.981 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835975123 TXVGAXXLEGYCCJ-UHFFFAOYSA-N 432.525 0.847 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)O1 1836605760 LSBXLLJRGWTSOV-KEYDFPQYSA-N 439.509 0.539 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1836856156 SKUJUSBMLCBLTM-IRXDYDNUSA-N 442.578 0.704 30 20 ICED Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441211 XEVDJCNDFHBPGR-ZZAWEDPDSA-N 429.521 0.932 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837526493 FBBAALBSUMQARS-HUGPVAGTSA-N 435.481 0.019 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1839176066 URBCRBLOZBJULF-TWKPZUECSA-N 444.488 0.456 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839227288 BGSKHRLLDAGPDF-QINHECLXSA-N 443.497 0.805 30 20 ICED COC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839246644 UQHQEAQRIQCHNW-NRFANRHFSA-N 445.428 0.023 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839869866 GNEALBLBPPKVKP-PGRDOPGGSA-N 449.624 0.630 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1841054567 PTZOUCBVOBDAHW-KTKRTIGZSA-N 437.500 0.402 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841958661 XKRPIRBNJTZLDL-KGLIPLIRSA-N 449.508 0.257 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842954070 SGPPXMAYAOYBOX-HUUCEWRRSA-N 436.509 0.169 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1=O 261406729 BGGWWYPMKONEMG-UHFFFAOYSA-N 429.389 0.450 30 20 ICED C[C@@H](C(=O)NC1C(C)(C)C(NC(=O)[C@H](C)n2cnc(C#N)n2)C1(C)C)n1cnc(C#N)n1 409762725 BPCJRIWFQDSXCY-VCKYCXPWSA-N 438.496 0.471 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1Cl 427145618 ZJPRWDCLNBLART-KRWDZBQOSA-N 441.875 0.869 30 20 ICED N#Cc1ccc(N2CC[C@@H](Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2=O)cc1 433697672 PHIKXGQPRIRPHL-LJQANCHMSA-N 439.497 0.896 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1=O 440261012 WKLNSXRATKNBKY-SFHVURJKSA-N 428.489 0.872 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)o2)c1=O 440378006 FDYPSZRGVRUDTI-UHFFFAOYSA-N 439.541 0.842 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCSC 440381874 RAKOAABUUKNIFV-CYBMUJFWSA-N 446.554 0.782 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCOC1 441957995 VKEAANBRCFXZKZ-AWEZNQCLSA-N 440.481 0.636 30 20 ICED COc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1[C@]1(C)NC(=O)NC1=O 462406428 ILOWBYKTROUYSO-FQEVSTJZSA-N 444.469 0.979 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)o2)cc1 471324389 URQLJZMZJFMFLE-RTBURBONSA-N 445.497 0.646 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 474152142 GXUWBKWYJDDEHD-LJQANCHMSA-N 448.545 0.026 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1Cc1ccon1 480960769 ZWAJGAWFYJKQEZ-UHFFFAOYSA-N 442.472 0.659 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)NCC3CCC3)C2=O)cc1 486491616 WBQLUCGGSYRJSO-SFHVURJKSA-N 433.534 0.678 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C[C@@H]3CCCO3)c2=O)nc1 489003864 BDXXHWYHDIVLEX-RDJZCZTQSA-N 425.510 0.901 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)nc1 497773241 ZJHHGDZDDHXJPO-UHFFFAOYSA-N 447.542 0.905 30 20 ICED COCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 500235468 KAJUXLNLQNEZIH-ZDUSSCGKSA-N 444.307 0.921 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508875043 SZDRUTHQLWQLBQ-INIZCTEOSA-N 448.535 0.896 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2[C@H]2CCCO2)CC1 511645797 IFOXWRRMSCLJOO-RBUKOAKNSA-N 448.545 0.271 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)C1=O 513906587 AFUFSFDGFPEQSE-UHFFFAOYSA-N 425.401 0.883 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 521749843 IAQHLBPXUXIVLN-UHFFFAOYSA-N 444.473 0.879 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccc3)c2=O)cn1 523179582 XRAUVIYTTJHGKX-OAHLLOKOSA-N 437.525 0.770 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 531939689 MADIHBFTHXIQNF-MPBGBICISA-N 441.469 0.918 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 531944284 WRADAPFZCQOSTM-ZDUSSCGKSA-N 441.469 0.916 30 20 ICED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 554432891 JWIIVRSZMNIIQD-AWEZNQCLSA-N 440.460 0.580 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 558017738 IYYBYBORCFYXOU-UHFFFAOYSA-N 442.564 0.117 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 561398136 PWLYNTQECPWLBB-CHWSQXEVSA-N 442.567 0.919 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)CC2)n1 565445159 WNQMZTMBEOFSIX-PMACEKPBSA-N 440.548 0.486 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 578406686 BGBXXFCHSYJTSB-UHFFFAOYSA-N 432.462 0.078 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 584138079 RQGOEONBCHIOFR-ZIAGYGMSSA-N 448.501 0.002 30 20 ICED N#CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610007852 LPLKDGVSTMMMHS-FQEVSTJZSA-N 438.532 0.941 30 20 ICED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 619567720 ANINZZBNEDWRSK-AWEZNQCLSA-N 442.476 0.861 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(N)=O 727161331 VXFQFVMSHYWTLS-UHFFFAOYSA-N 448.932 0.476 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccc(F)cc1 732466880 SNZYXMSUIGEBRC-VXPUYCOJSA-N 444.467 0.618 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 735939420 FIUBOGLGDJMMPN-UHFFFAOYSA-N 447.557 0.549 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 741732131 CGNYFDDDGVSNQO-UHFFFAOYSA-N 448.526 0.613 30 20 ICED CC(C)N1CCC(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 741825623 MCDWKYJMTIKZSJ-UHFFFAOYSA-N 436.534 0.647 30 20 ICED C[C@H](CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742617247 PBKWRIIUNQBSLG-RHSMWYFYSA-N 447.561 0.444 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)N1CCc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 744095326 DYRBBSHZRZJBNS-ZDUSSCGKSA-N 448.526 0.927 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)c1 752744314 SVJWOJALQKVNHG-UHFFFAOYSA-N 431.470 0.984 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 756464979 PZRUQTHVONNEKU-SNVBAGLBSA-N 425.854 0.794 30 20 ICED N#Cc1cccc([C@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCO2)c1 762295088 JPBAQLRHOIJQHT-SJLPKXTDSA-N 430.486 0.624 30 20 ICED COCC#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 762782311 QKGFXMOOXGMDAA-UHFFFAOYSA-N 438.502 0.351 30 20 ICED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(C#N)c1 762934710 CJYIZQDVYKAVQR-OLZOCXBDSA-N 444.469 0.894 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OCC)n3)c2=O)c1 763312210 KGVIVJYBXXTOSC-UHFFFAOYSA-N 430.489 0.923 30 20 ICED C#CC[C@]1(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 764502279 HYZPDJVFEDPDJH-JOCHJYFZSA-N 434.537 0.976 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)ccc1C 772315096 RJIKDXUNPLZXHW-UHFFFAOYSA-N 448.566 1.000 30 20 ICED O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCCN/C(O)=C1/N=CC=CC1=O 774419553 NTQMBDQKHIJIMH-NXVVXOECSA-N 446.407 0.626 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 779084730 AHBCBERQJCJNFX-WUKNDPDISA-N 437.453 0.914 30 20 ICED N#Cc1cc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 786904669 WQZWMWVHSOZVEQ-UHFFFAOYSA-N 432.458 0.380 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1(C#N)CCC1 787597393 LAECPGCJPWFQLL-CYBMUJFWSA-N 437.474 0.620 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C[C@@](O)(c3nccn3C)C(F)(F)F)CC2)c1C#N 788536037 IHWZGMYSAPCOCY-QGZVFWFLSA-N 425.415 0.823 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 804005275 XGVSMRZLVJRRHE-FQEVSTJZSA-N 437.500 0.409 30 20 ICED Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(=O)O 913075032 FMTHWTMYEMYKEP-UHFFFAOYSA-N 438.487 0.290 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N(C)C)CC1 916831494 QIMFJTCVVKQFSY-KRWDZBQOSA-N 449.577 0.372 30 20 ICED CCCNC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918470728 GSYJZGAEIWTFRG-XQNSMLJCSA-N 437.522 0.470 30 20 ICED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(C)C)CC1 919315439 GPMAMHXUZUFJPC-HXUWFJFHSA-N 449.529 0.732 30 20 ICED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1117104755 DVIVQEOUWLMCHB-HNNXBMFYSA-N 438.531 0.517 30 20 ICED C=CCN(C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1318692127 REVYIWSYIRCYED-OAHLLOKOSA-N 428.532 0.364 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 1324255140 JBWFUDQMZCDDHN-LSDHHAIUSA-N 427.486 0.459 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CCCN3CCCO)CC2)c1C#N 1492727912 MDOKKHHDTQFKQN-SFHVURJKSA-N 427.557 0.674 30 20 ICED CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517599649 RYNKMMXQFCSAHJ-KRWDZBQOSA-N 441.540 0.896 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1545146096 OPSNPNKFJTZANZ-KUHUBIRLSA-N 434.522 0.342 30 20 ICED CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1554509728 LPQYCXOJZRVZKL-IBGZPJMESA-N 443.577 0.789 30 20 ICED CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1649602718 NUMYJZWDOJQSLE-HUUCEWRRSA-N 426.543 0.824 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1706075232 LACCLFHGABCKEL-ZFWWWQNUSA-N 429.568 0.601 30 20 ICED CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723630607 BWQPGXBGQAUDMQ-DOTOQJQBSA-N 449.581 0.271 30 20 ICED CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729207070 JDACEDOBTHEBCS-SFHVURJKSA-N 429.550 0.875 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1741802670 KHOSGKLJGCFAIS-BFYDXBDKSA-N 439.586 0.832 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1741875560 PNOLIOAGAVRFNG-CVEARBPZSA-N 439.586 0.597 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1750208978 LJODSWKCEMEHQA-DOTOQJQBSA-N 431.522 0.274 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1762434079 JPWKSGURQMPEPI-FQEVSTJZSA-N 447.565 0.819 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931027 CHWAXWOCFQNGHQ-OAQYLSRUSA-N 427.461 0.682 30 20 ICED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ncc1[N+](=O)[O-] 1778250170 MRVZBFOFUQMTIS-OXQOHEQNSA-N 430.417 0.514 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1 1779106309 SBNSVFZONZQMKW-VQHJOYQZSA-N 447.492 0.848 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1782010426 NSQUDTLYOMXFOY-URZJWIJPSA-N 441.440 0.323 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783197483 LGPWFOUOKWGGRO-GOSISDBHSA-N 426.420 0.754 30 20 ICED 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 1784478983 RHGUMDPDJJJYHO-YEWFCNIMSA-N 449.529 0.117 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1784484073 QKIQCCLFSOKGRU-CAMMJAKZSA-N 449.548 0.871 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785379912 HJGUAQNXALDPJQ-XBKFQHLESA-N 438.484 0.602 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1785419415 CAJBIOGJPXEFHY-BSRJHKFKSA-N 449.548 0.848 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc(O)nc1O 1787431595 KWKLDTSECUPPQI-UGCWHGFMSA-N 449.464 0.010 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(-c4ccccc4)n3)[C@H]2C1 1787583037 BZRIGMRAUWNSCB-UMGGQSCQSA-N 437.500 0.899 30 20 ICED C#CCCC(=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 1789810648 ZFUQFXGURRBVGW-FKSLSLAPSA-N 449.548 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccc(Cl)cc1)C2 1792484305 CUEXSPVXIVVWLE-XJPXHFRYSA-N 445.903 0.971 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)cc1)C2 1793347159 YZRWOMNVOIMZNB-KBMWQNTOSA-N 428.485 0.644 30 20 ICED COc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)ccn1 1793900666 IBPCHHUYFJLBHS-RMFSNUHRSA-N 443.548 0.894 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)s1 1795822187 ZFBMSEKGIHLRRR-CWPLJXCYSA-N 432.546 0.677 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1797744130 PHYYOBCRRCLPPP-QUPDHXMUSA-N 428.533 0.651 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815010 GQSBGRHXMOHRMF-WVCVTXCWSA-N 438.525 0.410 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1797867888 XDUPMNILGZOMLM-DEYWJSPQSA-N 448.483 0.370 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[S@@](=O)c1ccccc1 1800209514 CGYRYAHETPHXMA-QITMBHFCSA-N 432.542 0.811 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cnnn2)[C@H]1c1cccnc1 1810253260 FSUFJVJLAZODSE-UBDQQSCGSA-N 427.509 0.908 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1810338232 HELMOBLHKSPSHJ-JAXLGGSGSA-N 441.484 0.996 30 20 ICED C#CC(=O)NC[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812534522 GTAHYKGUBLPJOD-JTDSTZFVSA-N 443.504 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N(C)C(C)=O)sc2C1 1817292616 LFEONBKRPPSGPT-YOHTUHHASA-N 433.534 0.780 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819453175 LQPMALFHWNAZGC-PHJHEXBDSA-N 431.457 0.618 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968458 RPGNYSGSKUZYJE-ZCQJCDSWSA-N 449.596 0.728 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830953527 UYHWQXVPAAPNGB-PGRDOPGGSA-N 434.537 0.301 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830966759 SPURFXUDFDAGSY-OVRHDEQLSA-N 427.461 0.188 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccnc1 1830981550 XBJBBCUALHXVTN-LEYRACOBSA-N 429.477 0.613 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1831393361 KPFLDEXHORAFAI-AOMKIAJQSA-N 426.473 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831398599 HXFWSKGKTOYBAL-BTYIYWSLSA-N 427.461 0.066 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831487165 LZAYVZMZTGBQCQ-JXFKEZNVSA-N 433.534 0.982 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1832292800 HIMQQWCYNXMFRY-QHCPKHFHSA-N 442.516 0.805 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3(CC)COC3)CC2)CC1 1833076620 DDFWDQHWKRWWSH-WAYWQWQTSA-N 432.565 0.843 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)ccc1F 1833721144 SFHSCORTDHHVDF-NRFANRHFSA-N 427.436 0.733 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1833814219 YIJJILUNOLMXHG-OBKNTDCBSA-N 447.492 0.384 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cccc1=O 1833873437 ZECOSJXFHPPUKX-QHCPKHFHSA-N 436.468 0.641 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016045 PBZBJFJNLGNLBD-NGPKUFNOSA-N 432.477 0.681 30 20 ICED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834986632 MNQXNDVGEVDPIT-QFIPXVFZSA-N 431.489 0.602 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096928 OPSOHHKBRJRQIN-NRFANRHFSA-N 441.513 0.702 30 20 ICED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097179 UIWIDQWGGJRCQW-HSZRJFAPSA-N 436.468 0.607 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835684613 HBQWWPNKZMRMBN-SVMVAKDDSA-N 430.505 0.377 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837397795 UZOFDCDICMJNPI-WMZHIEFXSA-N 437.581 0.892 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837415100 SYNOUWOGAHUILN-CVDCTZTESA-N 432.517 0.834 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837468080 ZKOLEKMTHQGOGL-QGZVFWFLSA-N 434.509 0.138 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)COC1 1837527231 ZAFQETJNUGLIIM-PMDKZKLISA-N 425.482 0.008 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838100096 UAXRQSBIFNWCTL-QFIPXVFZSA-N 440.456 0.955 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)CCO2 1838459531 GUBXDUAFJCBZRR-HSZRJFAPSA-N 436.468 0.627 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1838621248 IPMDDSBHXZGORH-IAGOWNOFSA-N 445.516 0.474 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)c1 1838737546 YLZVYEWWWIFNCM-NRFANRHFSA-N 435.444 0.541 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838951367 MPNVHRXUQSTMDC-JWIQCUOBSA-N 438.528 0.968 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1 1839227714 XCAQNQPJQQQTHU-YWZLYKJASA-N 435.481 0.356 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1839450797 HNDWDBKYQZEASQ-FDDCHVKYSA-N 440.500 0.463 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839648113 STEOWBRACMDINS-OZOJFGJPSA-N 444.463 0.807 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)c(CC)nn3C)C2)C1 1839807435 AGBKPXYZOGYLIK-SFHVURJKSA-N 439.310 0.448 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 1839810825 UDNQDONQHYQQHW-VGSWGCGISA-N 435.521 0.866 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840401456 RPBDISNHQCXDGD-LHTVMBCQSA-N 445.520 0.067 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837418 JUHMDVOAMYXEGM-UHFFFAOYSA-N 439.582 0.143 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](CCCCNC(C)=O)NC(=O)c2ccccc2)C1 1845875646 FEGVFGHXGDGXMZ-HXUWFJFHSA-N 438.528 0.928 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 16164026 KNIRVAGLGWFGQA-CYBMUJFWSA-N 428.467 0.247 30 20 ICED O=S(=O)(c1c[nH]c(/C(O)=N/c2nc(CN3CCOCC3)cs2)c1)N1CCOCC1 21129299 QTUJWOGNRJKJBS-UHFFFAOYSA-N 441.535 0.961 30 20 ICED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 111223499 OXWLIWLCRDWCSS-INIZCTEOSA-N 434.518 0.475 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCO1 409504319 VCBWRPHLVGWVET-UONOGXRCSA-N 432.424 0.865 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCO1 409507522 OGLCACHVLIODTH-CQSZACIVSA-N 435.466 0.452 30 20 ICED C[C@@H](C(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409659089 XGXYTBOEOZNOOR-MAUKXSAKSA-N 435.488 0.619 30 20 ICED N#CCCn1ncc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1-c1ccccc1 430644592 ZDLZPQVMPUAYAI-RBUKOAKNSA-N 443.529 0.379 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)C1=O 440245948 WAFPXZCMNRITHI-MRXNPFEDSA-N 436.896 0.900 30 20 ICED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 440255561 MGUOSCJGAOXIJZ-UHFFFAOYSA-N 445.443 0.998 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 441428651 LPWDLLHROYBWAD-KRWDZBQOSA-N 431.493 0.932 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)n1 441664180 NBYWAZXSIDULIE-HNNXBMFYSA-N 445.277 1.197 30 20 ICED COCc1noc(CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 444444109 OMZHLYCPYBKLIX-UHFFFAOYSA-N 433.490 0.347 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)n1 461775261 RVTNWCARCAYFIX-UHFFFAOYSA-N 444.517 1.305 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC2)nc1 463667240 UUCNJACHVUKOQM-UHFFFAOYSA-N 447.499 0.172 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C(=O)OC)[C@H](C)O)nnc12 474605709 JSYCMJLGDIRUFI-XHDPSFHLSA-N 431.474 0.361 30 20 ICED CC(C)(C#N)c1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 476072535 OJWGKAWYTOYKOH-SFHVURJKSA-N 432.546 0.549 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477224053 UBHGHYPRBXUGRF-LBPRGKRZSA-N 446.460 0.797 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 478848076 MUIGRRSBPJHRCG-UHFFFAOYSA-N 426.502 0.751 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 480493226 DLNGJNWBAHYQIV-GFCCVEGCSA-N 449.514 0.430 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 485497677 VUEOXGVRIIGSLR-UHFFFAOYSA-N 428.400 0.954 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 487776987 OYNHRPZXBCJORD-UHFFFAOYSA-N 447.448 0.075 30 20 ICED COCCN(CC(=O)N(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498415549 XNFFGHVQGUUAJS-UHFFFAOYSA-N 436.534 0.522 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 500055978 BMYSIEFCZCSSMM-UHFFFAOYSA-N 430.552 0.173 30 20 ICED Cc1nc(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c(C)c1C 502714239 CXDLZOPVIULNQB-IAGOWNOFSA-N 438.575 0.585 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 506698632 IJUPVPONRPHHMW-HNNXBMFYSA-N 438.506 0.404 30 20 ICED CN(C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 507327397 QDJFRCVQALQJIL-UHFFFAOYSA-N 435.550 0.685 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 511317350 YTIKVJIAHZRNJQ-WBVHZDCISA-N 437.474 0.132 30 20 ICED COC(=O)CN(CC#N)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 523129203 ODGBVGDSIJPLOF-UHFFFAOYSA-N 425.371 0.885 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532108812 VNYNRBIROBVCNB-MRXNPFEDSA-N 449.536 0.936 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 555976069 QCBNBFGPQSKHNP-UHFFFAOYSA-N 430.528 0.488 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 566929600 UEMGRESSKAHYAT-UHFFFAOYSA-N 427.553 0.136 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 568079499 BNMGVXNJEGOZKM-VQTJNVASSA-N 442.560 0.933 30 20 ICED Cc1ccc(S(=O)(=O)NC2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cc1 579540009 REJPWDPTIQSECO-UHFFFAOYSA-N 448.526 0.334 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c1 583902225 PSQXVNVHPWXZQI-UHFFFAOYSA-N 438.469 0.777 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 589802113 FNKQGWALYKKLSG-UHFFFAOYSA-N 441.473 0.751 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 610657911 REGLWRBZMFRZHU-UHFFFAOYSA-N 437.341 0.433 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CCCN1c1ncccn1)[C@H]1CCCN1c1ncccn1 681340569 KXVMYIYBZOHQLO-QZTJIDSGSA-N 434.504 0.140 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003918 ZBBVNLLFACTGRU-VHSSKADRSA-N 429.473 0.694 30 20 ICED CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 726114118 JYEOTXNNHBWZTH-XAIYEJPOSA-N 441.579 0.390 30 20 ICED C=CCOc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 729208199 YJCVOTXEOVGSAN-UHFFFAOYSA-N 426.473 0.960 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 729256896 LUUZOAAZNKNIFP-UHFFFAOYSA-N 443.460 0.567 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 731233210 SYPYTDOLRXTOIM-UHFFFAOYSA-N 449.536 0.583 30 20 ICED CN1CCN(C(=O)CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733975004 FDGPFALUHSKBCV-UHFFFAOYSA-N 449.577 0.566 30 20 ICED C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 746046703 QMWLZGFLBYFWNX-VKWHMPGMSA-N 435.550 0.896 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2coc3ccccc23)c1=O 746598682 ZONIVPZDCXKXLD-AWEZNQCLSA-N 441.509 0.957 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749870846 WCESMURGXAHABK-HNNXBMFYSA-N 430.530 0.517 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 753146182 DWBFKTUVWDEGFR-UHFFFAOYSA-N 444.425 0.877 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(Cc3ccon3)c2=O)c1 763458022 LPNGQOVDOPGTNF-UHFFFAOYSA-N 432.465 0.821 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)CC1 778706932 ISYFVCSGKOCDDP-UHFFFAOYSA-N 425.489 0.456 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 780277585 FOHPQJDHWNHFMZ-OQKWZONESA-N 449.533 0.517 30 20 ICED CC(=O)N1CCN(Cc2ccccc2NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 782078348 LGZVMTPFWZZHHE-MRCUWXFGSA-N 440.504 0.999 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 787063675 MPVSSUABTHPRPK-CQSZACIVSA-N 436.384 0.179 30 20 ICED COCCN1C[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 790839962 UKWMOKPPNWLBGB-LLVKDONJSA-N 430.280 0.621 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793195109 GQIBTHDBQOOOID-CYBMUJFWSA-N 430.508 0.442 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)c(Cl)c1 804061126 WLAFGZKYWUIGRM-DLBZAZTESA-N 431.924 0.840 30 20 ICED CN(C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1(C#N)CCCCC1 914653750 LJBHAIQMTQSKON-GJZGRUSLSA-N 425.507 0.250 30 20 ICED COC(=O)Cn1nc(C)c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1C 1116441077 HHHOMJKPAOXOQO-UHFFFAOYSA-N 447.517 0.808 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1288098774 XDOCNBAQAKYNAJ-MRXNPFEDSA-N 437.570 0.970 30 20 ICED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1315073414 PHGGJMKWAXUBJI-UHFFFAOYSA-N 431.522 0.458 30 20 ICED N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1468033441 QEZGDHSTOOQUHM-LLVKDONJSA-N 431.312 0.874 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1517541996 YGUHOHOJPOEKJV-IBGZPJMESA-N 447.499 0.823 30 20 ICED COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1=O 1555575795 OXFYYASTXDKNAA-KRWDZBQOSA-N 437.504 0.638 30 20 ICED CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1711001832 LBYYSZRCJXPKRA-MPGHIAIKSA-N 440.595 0.346 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)[C@@H](C)C1 1722794623 TVAUQYDVQIOGAM-KSFYIVLOSA-N 440.504 0.937 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1741989782 UMDYAVGYNAOQIL-LJQANCHMSA-N 436.538 0.080 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1748292775 QXUUYSNFQMCGCQ-UHFFFAOYSA-N 427.494 0.286 30 20 ICED COCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1749853071 WWLLMKGNJRQVRG-DYVFJYSZSA-N 440.505 0.221 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1761238351 PPCNGEYJFAJSEU-KRWDZBQOSA-N 431.541 0.790 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1771534852 QXMNMZNKDLSDQY-INIZCTEOSA-N 444.517 0.490 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1778782063 RLFIHOMSFQMHFM-UGKGYDQZSA-N 444.488 0.385 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778872219 QKXWQVJKNQFPHI-HVETUWLQSA-N 427.457 0.589 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779063175 QXSXXYJKGFZITF-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779103486 VSPPIYOLIZJEDT-FCKCSMDESA-N 446.460 0.783 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779335643 OYPYDDOJCPXFSD-PDSXEYIOSA-N 434.493 0.588 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1779540726 DPPRFNQHFJOAMA-UGSOOPFHSA-N 428.411 0.921 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccncc2=O)C3)cc1 1780413256 VIEXRPDYRKBBBQ-AUSIDOKSSA-N 435.484 0.943 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN(C)C(C)=O)CCO3)C2)c(C#N)c1 1781173658 BEVHQZSQJJKDCA-QHCPKHFHSA-N 442.516 0.808 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1781265072 JBFATRNXEOEDKK-QFIPXVFZSA-N 431.489 0.972 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781398055 KMHZDKAUCVNHRT-MGPUTAFESA-N 449.464 0.387 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3ccncc3=O)C2)c1 1781485539 SLCSNCGINQKRHD-AUSIDOKSSA-N 435.484 0.943 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782582672 GSVQECXXHQTTLO-OAQYLSRUSA-N 427.461 0.911 30 20 ICED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783132081 PUYHTQXJUCTBLL-XMSQKQJNSA-N 438.488 0.893 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1)C(C)(C)S 1783778230 SDDRVTAHVOXZCA-AUUYWEPGSA-N 430.571 0.377 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783911136 VWLUWEFKKZNIHU-GOTSBHOMSA-N 449.548 0.992 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783977336 RNDTUDQOWAMRCJ-DYESRHJHSA-N 433.530 0.881 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](C)CN)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090509 USSLZEMSXFSBID-PNLZDCPESA-N 436.553 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349247 BIMHNCIGPPYGNV-FEAOACABSA-N 428.537 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784899175 OZLADZSNTOFIIT-CPLUKWAASA-N 441.532 0.984 30 20 ICED COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786640779 PMVWROUEBFHLDC-IQHHBFBMSA-N 427.498 0.158 30 20 ICED Nc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cs1 1786913674 JFLYHTQWCKVDRW-QNJAAANCSA-N 437.522 0.848 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)[C@H]2C1 1788620123 HBLGKBZORMHFDU-ROPJJIDOSA-N 426.494 0.942 30 20 ICED CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)CC1 1788652446 GMVRVTVJCICBCB-QLTHSWJQSA-N 436.553 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c(F)c3)[C@H]2C1 1790065297 FNYWXUZUHFCXKM-GRNXDFJHSA-N 431.464 0.983 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1793346241 GHXPDSOSDJHBAN-WMIGDMCZSA-N 425.485 0.813 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794043312 MSUNXTNJFNNBEK-MFCZKXCZSA-N 443.525 0.691 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794118214 HIPNRQYRSQJHTC-ZXFNITATSA-N 436.534 0.868 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H](O)c1ccccc1 1795379820 RCNDTLCQWKWFGD-IJCPXSCNSA-N 431.489 0.839 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1796448128 CYSZNROQSBNEBA-SHXSXUFKSA-N 447.542 0.987 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c1 1798580231 QESYDTAVSAJUTH-REGYPHIPSA-N 426.473 0.296 30 20 ICED CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1 1798752133 PNKUVJPGLBMZFV-UPHUGPLXSA-N 442.516 0.777 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799750047 YCGZONFIHNXGNS-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCCOC2=O)cc1 1799817116 GWILHXHZJROGQZ-CWPLJXCYSA-N 441.440 0.325 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800243237 KBWQKFVKGZOCGV-RMYQPGKMSA-N 426.517 0.011 30 20 ICED C#CCO[C@H](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 1802084351 VVYDVWRXKCLWGF-WVXCVLBUSA-N 449.548 0.918 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCNC)C2 1802126610 LEIKRWMIRSVUAW-SFNKJDCFSA-N 436.553 0.492 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1802482413 LXLFMYPZMCRRAJ-PGHKVSDBSA-N 425.445 0.953 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1 1803544479 WKUGJTCZIMSQOA-CBQOVEMMSA-N 428.533 0.848 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1803566262 IWFYYKHLEWQVSI-XFWGSAIBSA-N 432.521 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CS(=O)(=O)CC)CC2)C1 1804851578 ZUPFBDPCHTWYQN-SREVYHEPSA-N 425.551 0.511 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808410696 WGKYZPSRDIJQPC-RXVVDRJESA-N 432.546 0.926 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2c(O)cc(O)cc2O)[C@@H]1c1cccnc1 1811434249 WGFWWZKBDHMLBX-XCLFUZPHSA-N 425.397 0.606 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1820894986 ZKXHQHBRKYMKJL-HNNXBMFYSA-N 431.497 0.751 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c1 1829825426 HCCCRIWQRZAUAS-DENIHFKCSA-N 425.441 0.955 30 20 ICED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1830001245 XIEFVDUVAWJATB-QHCPKHFHSA-N 449.596 0.457 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064236 GRSNBSMOXCINKO-VFNWGFHPSA-N 438.525 0.906 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064782 QEDFXSWEKUCKGC-DRSNIGMVSA-N 433.505 0.748 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243577 QKYIWPRORPMKDN-SBUREZEXSA-N 446.500 0.438 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830345419 FTIIPCDUKQILFJ-AUSIDOKSSA-N 448.516 0.801 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1831213815 YQVGOGIWRLQOJH-HSZRJFAPSA-N 426.469 0.941 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1831393596 YRCNYTRXPUIDFT-DHJUGAMNSA-N 428.485 0.485 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1831407395 XNZLBHVNCGGIJC-UNMCSNQZSA-N 432.521 0.521 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1831424066 CAOCHUQWMBTAJE-HMFYCAOWSA-N 433.505 0.909 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@@H]2F)CCO3)c(C#N)c1 1832128090 YOTCMAMSJJCCBU-XQBPLPMBSA-N 431.464 0.924 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1832462557 NKXMCSQOBVGNRC-KRWDZBQOSA-N 427.552 0.272 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1833147228 XAQYQRLILYQXTM-CZUORRHYSA-N 448.593 0.910 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1 1833467823 BSAWZYUNCOHLRR-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)CC1 1834818302 OABHOKKROVDXRO-GOSISDBHSA-N 429.565 0.963 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835347653 AYAFZDDEGNFAIF-JKSBSHDWSA-N 433.505 0.726 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1835362943 XRHBIIPNRKXEBB-VSDWSMLSSA-N 438.484 0.657 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1837397991 YQYHXVIBJBVFHC-FOIQADDNSA-N 438.550 0.419 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1837399644 YOSHOWXIHKBEKZ-HTAPYJJXSA-N 446.504 0.050 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837528403 JEYOVDWCLISGSG-WVMHDHGMSA-N 437.493 0.665 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnn1 1837565017 IWGNTVBUDJPOII-JRSYJKOESA-N 430.465 0.008 30 20 ICED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CN1 1838392163 OTQGETMFNYBWJN-MXJLDLDKSA-N 433.553 0.593 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1839132122 UHTWPOKLKCJBEX-NZQKXSOJSA-N 444.532 0.564 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839294820 MEYBQWLEMQGKNN-QFIPXVFZSA-N 448.495 0.883 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420585 RSKFUYHSADHENK-IVZQSRNASA-N 446.479 0.634 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCN(C)C5)CCO3)C2)C1 1839620576 JZAJIDJWFHMVAW-HSZRJFAPSA-N 443.548 0.755 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839844945 ZAXYKYDRQFUEJZ-JTSKRJEESA-N 427.505 0.940 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1840818299 VIKGDIGJCJBHLK-QRWLVFNGSA-N 443.566 0.630 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1)C(=O)O 1840835383 KWFDAYIYHNBPGC-NXXUMWEISA-N 427.457 0.588 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893250 PVZQXKMCFSAZIW-UHFFFAOYSA-N 449.960 0.625 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)[C@@H]1SC(=N)NC1=O 1844300652 UPALVMBYQFMKIJ-FRVBJSLRSA-N 437.522 0.521 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)C2 1846194617 WTWNPZABKJFBKR-KRWDZBQOSA-N 427.432 0.722 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1847804265 GNDXJFHEDBJSCR-ZBRFXRBCSA-N 435.521 0.597 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 111010696 CRHRNPKISHREPM-QGZVFWFLSA-N 438.510 0.737 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 428770749 GIVVVCZATNMACO-CQSZACIVSA-N 431.474 0.701 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 430371417 PQSDTQQHHSIUAB-UZLBHIALSA-N 438.532 0.954 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 437024971 WXANQVUJKQSMSQ-NNFUDEMPSA-N 433.509 0.555 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)ccc3OC)c(=O)n2C)CC1 461342994 SVRAPGOOSZHNGG-UHFFFAOYSA-N 430.505 0.262 30 20 ICED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471064549 ARFYBNJPQLQOEV-UHFFFAOYSA-N 435.506 0.264 30 20 ICED COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 471688167 LJQKZPPYNWXEGT-UHFFFAOYSA-N 426.477 0.696 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)s2)c1=O 477016172 CMLPUIZQYMGBBX-UHFFFAOYSA-N 449.554 0.961 30 20 ICED NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)o1 477654849 PYSHAVAETVFWMV-UHFFFAOYSA-N 429.376 0.844 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480443263 JYXOKXVYKXNGOA-CABCVRRESA-N 433.534 0.036 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 484597895 AKRWTCQGHMFPTR-UHFFFAOYSA-N 429.470 0.446 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)c1cccc(Br)c1)c(=O)n2C 496225649 MHDYIEMITFVFMO-GFCCVEGCSA-N 431.250 0.577 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(C)c2C)n(CC(N)=O)c1=O 533120267 GGQLLOLISDBGJG-UHFFFAOYSA-N 435.509 0.614 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C 542092012 DMTKSZSUWSRWOM-UHFFFAOYSA-N 433.917 0.691 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543930658 OZIVBAHFUPNCLK-GFCCVEGCSA-N 436.881 0.486 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 552939382 IXJTVDBBSDAKSA-OAQYLSRUSA-N 427.549 0.840 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 557660313 MOZGFIGDXMLZND-CCNLRDMRSA-N 447.561 0.425 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 567795534 BZEHARFLHAAULD-KBPBESRZSA-N 446.541 0.227 30 20 ICED CN(C[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1)S(C)(=O)=O 571546624 JWUPPQQELIUQDF-QGZVFWFLSA-N 427.548 0.603 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(C#N)cc1 579501649 LECFEUOIGVSIEM-HNNXBMFYSA-N 427.486 0.664 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 610358242 MFHPMQNAYNLXFS-UHFFFAOYSA-N 439.497 0.025 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1 619423435 QASQKVJPTVOOBL-UHFFFAOYSA-N 443.510 0.863 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)cc(Cl)c2)c1=O 727164941 TVPGDHVFAGXQQM-UHFFFAOYSA-N 443.337 0.792 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)CN2CCCC2)CC1 728551605 MBCIDKLMXUFWOG-UHFFFAOYSA-N 447.561 0.272 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 728570858 OCSMAJAWQSAPAM-UHFFFAOYSA-N 426.439 0.567 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 731621319 ACUXRQIVJQLQJD-GFCCVEGCSA-N 436.314 0.585 30 20 ICED COCCn1cc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 743416860 CNCOFFBVWFUZSC-UHFFFAOYSA-N 438.466 0.905 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747045761 SJALLPSPTCXDMO-SECBINFHSA-N 448.295 0.962 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 747742234 RGPLCDBENFCRIK-UHFFFAOYSA-N 442.541 0.836 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nncn2C2CC2)cc1 750649567 CFDAWSJHTIVHNK-LFVJCYFKSA-N 445.505 0.681 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)c[nH]1 753359392 QTRWJXQFJSGCGB-UHFFFAOYSA-N 434.477 0.795 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 758060753 MDBUNTJIAJPISI-UHFFFAOYSA-N 430.555 0.563 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 761036883 GOGOLFWEUZZZQD-ZDUSSCGKSA-N 429.340 0.861 30 20 ICED CC1CC(C#N)(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)C3(C#N)CC(C)C3)CC2)C1 767426028 XLDZBRYUJUDJGM-UHFFFAOYSA-N 444.488 0.623 30 20 ICED O=C(Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)NCCO 769268189 GHDDQRBBOCNNPA-UHFFFAOYSA-N 444.513 0.795 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc[nH]n1 770834834 PPYFJSBATNGZFF-UHFFFAOYSA-N 443.460 0.734 30 20 ICED O=C(Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1)N1CCSCC1 771389544 QTHOAHXMMIFYTB-UHFFFAOYSA-N 435.531 0.859 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 775550706 LUBZGYREVJQQDG-OAQYLSRUSA-N 439.476 0.730 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776838279 YVJGMSZZTFCHAT-CVEARBPZSA-N 437.541 0.930 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783013787 GTWFPJPYEMNFHR-NSHDSACASA-N 445.423 0.532 30 20 ICED C[C@H]1CC[C@@H](C)N1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785727757 JFVXMULSVYUULO-CALCHBBNSA-N 448.545 0.807 30 20 ICED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 786108976 IZGPCCCYHXWPHO-UHFFFAOYSA-N 429.458 0.347 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)c1=O 794661464 IGGZNBAHWKKCHS-AWEZNQCLSA-N 447.517 0.890 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 799284613 KMFDCBBZGZQQAW-ZDUSSCGKSA-N 444.225 0.907 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1 814881054 QGVWASDCKCVWFG-UHFFFAOYSA-N 429.480 0.027 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 916676046 UNMVACQMNRLHNE-CYBMUJFWSA-N 428.536 0.046 30 20 ICED O=C1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](C2CCN(C(=O)C#CC3CC3)CC2)N1 977226687 LOUNSXGTMAKTCV-JMFNMADFSA-N 425.529 0.825 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300831190 SQWIAIGYIJCHFQ-RYUDHWBXSA-N 449.375 0.854 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1315937338 VXMJNJAHYAXSBH-MAUKXSAKSA-N 448.549 0.948 30 20 ICED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557895332 KLMMWVPOZLVQGZ-QGZVFWFLSA-N 440.382 0.688 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)CC)CCOC1 1696085422 IAZDXUOBHZYVBG-LAUBAEHRSA-N 431.541 0.585 30 20 ICED CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1710600214 JCQKXNRGBIBJGQ-RDYUPDBUSA-N 427.465 0.584 30 20 ICED CC[S@](=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1710912212 BBZXBNADTJOOPZ-PSKUBERUSA-N 441.517 0.689 30 20 ICED COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1711637045 KWUFDUWWKCNNPR-RHSMWYFYSA-N 434.522 0.982 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1740747789 VYKBDMKDJCCHAU-UHFFFAOYSA-N 447.359 0.391 30 20 ICED CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750116727 DBRGPBQDZAMNGF-JKSUJKDBSA-N 428.541 0.568 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCOC1 1767483779 PBNPLNGWNFFOFZ-LLGFUMIMSA-N 448.524 0.154 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892784 LEUMCOMFSMINPT-LJQANCHMSA-N 446.422 0.620 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1778968129 NDGVURCFLVKSGU-HTAPYJJXSA-N 430.505 0.214 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1778968132 NDGVURCFLVKSGU-VGOFRKELSA-N 430.505 0.214 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1)C(F)(F)F 1779201568 STZZYOBTFHOXJX-SUYBPPKGSA-N 437.415 0.683 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1)n1cnnn1 1779401379 PAVBOZWAUOVSOM-DBXWQHBBSA-N 444.536 0.447 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)ccc1F 1781297780 YKKYCJFQFNKFIP-OAQYLSRUSA-N 425.420 0.879 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1781369957 UXQQDRKIXLOGLY-JTSKRJEESA-N 426.473 0.388 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)CCO2 1783054024 QUQPVCHYUOAGCI-KKSFZXQISA-N 431.493 0.309 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783561057 ADXONMVFHVGSBL-FQEVSTJZSA-N 438.383 0.514 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783907154 YNJKZJOXEQQBFC-IXFSTUDKSA-N 449.548 0.848 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983015 UDGPRUPBSMJISW-TZVKMXPSSA-N 430.383 0.207 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1784008057 VMKZHEDWTKJZTL-XZOQPEGZSA-N 447.532 0.602 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21 1784478998 RPQYASKYFYXAKE-VKRLORBYSA-N 437.500 0.899 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258711 SKZDBCKYYDBMCK-BXWFABGCSA-N 427.505 0.413 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1788572407 GCIYCWSRJGEJAG-LUKYLMHMSA-N 448.520 0.864 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789181798 GLFRUPDDJGVFQT-HJWJTTGWSA-N 431.489 0.977 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)[C@H]2C1 1789775723 ZJTIFWQAGAPHBO-CABLIKTCSA-N 447.532 0.624 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1791286645 RXRLBGFZNNVAID-ORGXJRBJSA-N 429.473 0.767 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C[C@@H]21 1792171992 FVMREXQCFUROPU-FJIDUMEYSA-N 437.537 0.919 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792465504 BNWDTDKGHSYQCZ-HGKCTWBKSA-N 425.551 0.134 30 20 ICED 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#N)CC1 1795413360 APULIRLFRAAHES-YYIAUSFCSA-N 430.505 0.796 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1)c1ccc(O)cc1 1795860530 SPDJRAHEZLGVJA-AYMMHLMVSA-N 438.488 0.166 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]n2)C3)c(C(F)(F)F)n1 1795994890 JTVBOJTULFYPDW-DDFAGTSDSA-N 435.366 0.607 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384602 GRTBXRPPFYXXPS-WSBHYZCFSA-N 448.549 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797333176 PKXLWBWGJHSNDN-UPHUGPLXSA-N 441.484 0.894 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797541285 GVDMKTLFAJHBRK-DLTLXFJOSA-N 441.484 0.598 30 20 ICED 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)CC2)C3)C1 1799197393 LWOOLBHGIMTQJG-ZHCJQAHYSA-N 448.520 0.108 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)cc1 1800431232 LBBDEIQOYBYHDG-UPHUGPLXSA-N 433.530 0.916 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)[C@@H]1c1cccnc1 1812874742 MKDVRXLMFCLQGH-SMDDNHRTSA-N 445.325 0.531 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)NC(=O)CO4)sc2C1 1819148556 IWYRUWXKQWZKBV-NSHDSACASA-N 440.437 0.788 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4c(c3)CCNCC4)sc2C1 1824643562 ZDDINYFCOMEBLZ-CQSZACIVSA-N 439.497 0.540 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824926487 VLKDVSJHTNPLPQ-JMSVASOKSA-N 425.532 0.671 30 20 ICED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828521326 ZVNLWUJNVSQQPC-QHCPKHFHSA-N 441.484 0.163 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cc3ccco3)C2)C1 1829773440 JOCVNQFDNNRMFS-YRTIDYAOSA-N 445.516 0.773 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCCOC4)C3)C2)cc1 1829908102 BCRFWIVOPHSFHH-REWPJTCUSA-N 427.501 0.984 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830707023 MZPUNUWANXJPKY-BZDHPDOMSA-N 438.521 0.623 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830867561 QPXLDTGQUAFKKE-HRSGFYEVSA-N 436.530 0.960 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc3ncccc13)CCO2 1831353825 VMUMCBPTZBFADS-QHCPKHFHSA-N 437.452 0.322 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833351074 CIJDGBMASCJSBR-HXUWFJFHSA-N 428.424 0.390 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835293367 FEWPOYTYKNCZHJ-UDLOZWLNSA-N 443.500 0.035 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)CC1 1835349341 DDFNHFBUUKBWSC-YSNSILARSA-N 443.456 0.577 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359109 XKBSWLVGCIHATC-ZHRRBRCNSA-N 446.479 0.704 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccccn1 1835699621 ODDGPDJETSZJIV-UPVQGACJSA-N 434.496 0.590 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835767977 FIPRAENTEPOAPF-FNNTWHHHSA-N 440.541 0.096 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)cc1 1835837448 DFOJCJCXTOQDNF-NRFANRHFSA-N 441.513 0.910 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835849763 IVCSLAVYRCQYEC-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836043654 KFIDDNZJXVMHBX-HXUWFJFHSA-N 437.518 0.651 30 20 ICED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1836862404 YJXUEGLGEPKJBA-UHFFFAOYSA-N 435.569 0.808 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837240885 CKHMLFLRGBDFMB-UIFIDQECSA-N 430.567 0.175 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1837310837 USVHKHUZOPUEQU-IMSXRSKXSA-N 448.608 0.847 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccc1)CCO2 1837334059 NTMOCPBUNAIKHN-MSYCTHLASA-N 429.517 0.982 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1837392579 FATPFFNYIKYPQI-VGOFRKELSA-N 434.537 0.680 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1837405277 LLMHHELYSWLYCX-KGVIQGDOSA-N 439.553 0.321 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838067818 HYBBSNHRDBWNCK-OAQYLSRUSA-N 441.444 0.379 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324534 KXLXBSIGCMLTQG-QFIPXVFZSA-N 445.520 0.638 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1839174898 CIHXDEINXXZUBY-NRFANRHFSA-N 433.461 0.367 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839225565 NFYWDMHKGFECDG-IERDGZPVSA-N 444.492 0.600 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1839451205 GCVVBPDSAAABQY-JOCHJYFZSA-N 437.456 0.746 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)C2)C1 1839805858 SZCQHSXJKZRYFG-GAJHUEQPSA-N 441.484 0.138 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1)C(F)(F)F 1839891598 NPTGTLWFKDIYLJ-UONOGXRCSA-N 434.333 0.875 30 20 ICED COc1ccc(/C=C(\C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044351 FCVBRQSUEZIUJU-GNBRFLJNSA-N 442.468 0.643 30 20 ICED COc1ccc(/C=C(\C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044353 FCVBRQSUEZIUJU-ILAWTMEDSA-N 442.468 0.643 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1(F)F 1840826895 BPXWZDLGOQROOG-LNDUNRGASA-N 428.480 0.960 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840855078 VITYARYZTCDHRW-MMOPVJDHSA-N 440.541 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841601548 UOPDXQZLYZJWGZ-AOMKIAJQSA-N 435.521 0.912 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c32)C1 1842056064 JVJUBFXOXPFDLW-OAHLLOKOSA-N 442.520 0.969 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n(C)n2)C1 1842193189 DVPUOSHWXFRUDR-CQSZACIVSA-N 431.493 0.859 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@@H]4CCCCO4)C3)cc21 1844300903 FTUSGIFMIPUNRZ-BYWZACNXSA-N 444.492 0.363 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c(C#N)c1 1845139694 UPKGSFYXPZPCPS-GOSISDBHSA-N 431.514 0.890 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](S)C(C)C 1847827520 HSJFRIICJITJOX-JENIJYKNSA-N 432.583 0.839 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 11264092 WJGFTUKTDFYQQI-UHFFFAOYSA-N 449.489 0.096 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 29478585 PXGNMETZVKADNG-LBPRGKRZSA-N 442.453 0.952 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 254380807 MGCSHHLAOJGNEP-UHFFFAOYSA-N 430.555 0.109 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 427527583 KLFRNGURTVMFFI-UHFFFAOYSA-N 432.374 0.951 30 20 ICED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442058039 OUUGKQOKTJYQDL-CQSZACIVSA-N 428.468 1.125 30 20 ICED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3nnn(-c4ccccc4)c3=O)CC2)cc1 444406782 JPFCUZZGXYASLB-HXUWFJFHSA-N 433.472 0.847 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1=O 470393689 OJHHYQKGORFQOZ-UHFFFAOYSA-N 447.391 0.702 30 20 ICED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 472850052 FSONSJMMWPUHSL-UHFFFAOYSA-N 427.465 0.308 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C 478857729 PBTGENLZAVNFIM-UHFFFAOYSA-N 441.488 0.427 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 480137017 KGWZBPLAWZWVCF-OAHLLOKOSA-N 429.502 0.773 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1 486493218 AWBCRYLGWALQMG-QGZVFWFLSA-N 438.488 0.823 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccnn3CC)c2=O)cn1 489045088 SATCWAIWMPLIBW-AWEZNQCLSA-N 438.513 0.440 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(C#N)c(F)c1 489477802 MLYGVVLLZMHZDC-UHFFFAOYSA-N 427.479 0.789 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 490482501 GCCWYGUMPGANQV-UHFFFAOYSA-N 431.518 0.981 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 498341456 DZICNRSVQSIRTM-UHFFFAOYSA-N 434.562 0.777 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cnc21 501855133 LQGGINVOHXSEMW-QGZVFWFLSA-N 440.485 0.605 30 20 ICED COc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 502004276 OYZARWSMMGCAFJ-UHFFFAOYSA-N 435.509 0.767 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)cnn3C)c2=O)cn1 505690719 VIIZKADDEUFAJV-UHFFFAOYSA-N 438.513 0.372 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCCO2)c1=O 505699750 KSKHSPMEFOVQLK-OAHLLOKOSA-N 427.530 0.303 30 20 ICED CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 506967539 HCFGPVDFPJGRRB-UHFFFAOYSA-N 430.433 0.886 30 20 ICED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n(-c2ccc(C(F)(F)F)cn2)n1 508309977 VKWSYKRZYVVJQS-UHFFFAOYSA-N 433.354 0.813 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCCSC)c1=O 512775981 GRIHDPNVLAJCGG-UHFFFAOYSA-N 447.586 0.241 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc2c(c1)OCO2 522691708 GZNZNRKNSONGDF-UHFFFAOYSA-N 435.461 0.885 30 20 ICED CCc1noc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534379911 MMECASXGUHMGBC-UHFFFAOYSA-N 431.474 0.889 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 538839940 HQPFTEMMVJLWOX-UHFFFAOYSA-N 428.470 0.972 30 20 ICED CS(=O)(=O)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540471757 LWXSWMSWGIUBDH-INIZCTEOSA-N 425.580 0.424 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 550587206 HADLFSDRRCCRKE-HZPDHXFCSA-N 445.568 0.253 30 20 ICED Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)n1 550609682 YWRNFZZUPDLFDF-UHFFFAOYSA-N 435.492 0.769 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)C1 554090858 AGQMSPVWTIOHFO-QAPCUYQASA-N 433.534 0.725 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 558057684 QTKRRWPQDUOVDC-QFBILLFUSA-N 440.500 0.572 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 559684256 CGRIBZKYOGNQBA-INIZCTEOSA-N 449.533 0.448 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc1 561589479 RJVQYOMLQFHSCE-ZWKOTPCHSA-N 437.518 0.838 30 20 ICED C[C@]1(c2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)NC(=O)NC1=O 565277751 VBRPUJXPJHWOKU-LJQANCHMSA-N 427.442 0.530 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 568858392 ASFLBULRTPYYSA-UHFFFAOYSA-N 449.533 0.640 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c1 574206082 CKUSRIJYXRTVNX-UHFFFAOYSA-N 425.532 0.796 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC1 588124574 CCKMCQYEBAZKQE-UHFFFAOYSA-N 431.924 0.657 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1S(=O)(=O)NCC#N 609412562 SCNUGWUDRPNXOH-UHFFFAOYSA-N 429.502 0.734 30 20 ICED N#CCN1CCC(NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 609945013 IRFHWTQAGPFYHT-UHFFFAOYSA-N 433.534 0.904 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 727406325 MIUDYBWDSSNETF-LBPRGKRZSA-N 436.515 0.511 30 20 ICED N#Cc1ccc([C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(N)=O)cc1 734562757 UHCAKWSWPBTVQW-GOSISDBHSA-N 429.454 0.963 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1 734570781 KKHWXFAVOZKWBA-SFHVURJKSA-N 444.469 0.308 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccncc3C2=O)cc1 744220322 XAUJONXQMYIFSN-UHFFFAOYSA-N 428.426 0.727 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1C#N 752397921 HOEYVPBUYGEECO-UHFFFAOYSA-N 425.467 0.509 30 20 ICED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757289759 ADSRMGIUNLNQFE-CQSZACIVSA-N 437.460 0.609 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 758645863 UDPYRBUHBHYGLO-JSGCOSHPSA-N 435.506 0.914 30 20 ICED CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758762292 SNWBEQNEPQQGJY-IRXDYDNUSA-N 436.557 0.941 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)Cc4cccc(OCC#N)c4)CC3)ncnc21 760625239 KLPAVLOXSIQNCB-UHFFFAOYSA-N 449.471 0.700 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 765914293 KSLHFQMBIFUYGN-GBPUDXIESA-N 447.517 0.271 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 767632069 SSAUNMPMRTXYOQ-KBPBESRZSA-N 445.501 0.996 30 20 ICED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771364295 XKNHFZOIJIHPPN-KRWDZBQOSA-N 437.250 0.741 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(CCS(C)(=O)=O)c2=O)cn1 772314724 PAMMMEDWUCLLFE-UHFFFAOYSA-N 448.570 0.760 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 772537090 ZUQKJSDHGNHJQM-UHFFFAOYSA-N 433.436 0.694 30 20 ICED COC(=O)CCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 775577572 ZQFPRLGYKYEJRJ-LSDHHAIUSA-N 436.534 0.600 30 20 ICED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 782636480 VMMDMCJIPOBZRR-ACIHENLCSA-N 435.506 0.175 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 783482029 ZOQVJYGWCKLOEO-YESZJQIVSA-N 433.530 0.888 30 20 ICED N#CC1(NC(=O)COC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCC1 784195355 FDQIGKFWJFQPGR-UHFFFAOYSA-N 437.474 0.622 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCC1 784234201 VMTVOUHEKAAILT-MRXNPFEDSA-N 425.445 0.642 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 786998953 RTBMNNFHKKTMMM-IRXDYDNUSA-N 446.529 0.982 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC1 787107265 QYSBUQCWUKNGAX-IBGZPJMESA-N 426.521 0.361 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787581334 QNOGYJPBBJFIFT-CYBMUJFWSA-N 436.490 0.760 30 20 ICED C=CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 791330810 ZGYUSSUVLXNYDF-IUODEOHRSA-N 427.910 0.516 30 20 ICED N#Cc1ccnc(N2CCC[C@@H](OC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)c1 791980972 WGSRNPKTICFTSM-JKSUJKDBSA-N 445.501 0.631 30 20 ICED COC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(Br)cc1F 796142421 LCTSWTRSNPKIKW-UHFFFAOYSA-N 432.231 0.816 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CC(F)F)c1 797368135 NYEGETAYNNCZSP-RCCKNPSSSA-N 432.449 0.524 30 20 ICED C[C@H]1C[C@@H](C)O[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 800299803 NVOWPAOOIBFUGG-KHYOSLBOSA-N 435.502 0.748 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800849027 QXCCAFPFRJTASJ-UHFFFAOYSA-N 439.493 0.610 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[C@H](C)O)cc1 801290845 JUNOBDXOYVTOQD-OXJNMPFZSA-N 443.529 0.638 30 20 ICED CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 803660209 ZUDNFBQLMNRULU-UHFFFAOYSA-N 425.464 0.921 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 806912403 YBCTUCYXBFOXLT-UHFFFAOYSA-N 427.910 0.711 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(C(F)F)n1 812277605 WLIDTTKQXMXWQA-UHFFFAOYSA-N 435.456 0.278 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)NC(=O)NC2=O 823619580 KGNOEHNGOYGZFC-CQSZACIVSA-N 447.517 0.340 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1 863917540 LKOXISKEKSWSMJ-KRWDZBQOSA-N 428.514 0.742 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914655393 PJLZHQXOQPIRJN-TZMCWYRMSA-N 439.877 0.729 30 20 ICED CN(C)C(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1297988648 OHZIIFGXMLDZAD-KRWDZBQOSA-N 439.524 0.659 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1303640467 KMEBQHXKKRQKTL-GJZGRUSLSA-N 428.584 0.899 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C#N)c1=O 1472639002 ZYYZDBWAOGJTCU-UHFFFAOYSA-N 444.300 0.763 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541220141 XBBSDFVURVMKAB-KGLIPLIRSA-N 440.526 0.434 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)F)cc1 1555991372 ODSXRMNBZRLYNY-AWEZNQCLSA-N 447.446 0.812 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1564118843 WJZIIABXOFJEIN-UHFFFAOYSA-N 430.484 0.610 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1618468340 JYTMLEJARNKKMK-GHTZIAJQSA-N 444.561 0.897 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccccc2C#N)CC1 1627568342 FYOLXKNGWSSZBM-RDTXWAMCSA-N 434.543 0.996 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1649681005 UUOWUGSVSYTGRI-GOSISDBHSA-N 448.549 0.692 30 20 ICED Cc1cnc2c(S(=O)(=O)N3CCN(c4[nH]c(=O)n(C)c(=O)c4C#N)CC3)cccc2c1 1651368093 YOYGKRFGAMWFHE-UHFFFAOYSA-N 440.485 0.313 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1710484242 RZXFLHUXOBBDDE-UTKZUKDTSA-N 434.541 0.770 30 20 ICED COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1730726308 LNZGVCZZCHYGEM-IBGZPJMESA-N 438.536 0.999 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1741905574 SZSCJYZPPFYUHX-QWHCGFSZSA-N 432.572 0.451 30 20 ICED COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1768193417 WNNKJTFSDUVDIQ-UHFFFAOYSA-N 431.518 0.982 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1768293003 QQIRKFNQBZCDFP-CQSZACIVSA-N 431.522 0.423 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1778971823 NIVPWRWQXGBAJH-HJPURHCSSA-N 441.484 0.838 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779065629 ZPDVBOYGHOQDQE-HXUWFJFHSA-N 431.449 0.460 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779365529 IHICABGBELJYCZ-RCMSRTDESA-N 430.509 0.369 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)N1CCN(C)CC1 1781087671 IOERJJQQKSLUOF-CYFREDJKSA-N 439.560 0.567 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c(C#N)c1 1781176001 FKOOHSMLZYFQOD-OAQYLSRUSA-N 447.513 0.757 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1781309156 SMECBAIYGZWRAT-FCHUYYIVSA-N 448.520 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1783847977 DHDMDNYCNIOAHP-WJGWRPCBSA-N 445.516 0.430 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCC(=O)Nc3ccccc3)[C@H]2C1 1784052429 VFXUHYZRYVNBOT-WDSOQIARSA-N 441.484 0.863 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352364 RBCSEVYVLBSYFR-SEFRKOSYSA-N 445.520 0.874 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1784493893 BNUZHOSBOFKSLB-TUFLPTIASA-N 436.597 0.585 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786730483 LGKIDFDLGPKIFB-FYQPLNBISA-N 437.585 0.405 30 20 ICED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccccn1 1786868524 BMUJPVSDJBARGK-QGQDGTMUSA-N 445.520 0.590 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)c1 1786892394 YTJLMZFVWIJYDY-OITRIXBGSA-N 441.532 0.500 30 20 ICED 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 1787395221 BLZMNUFMPGRRAP-YTFOTSKYSA-N 431.555 0.170 30 20 ICED Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)c1 1788658773 XEYNRFNZFUEOIF-PTEVPQEZSA-N 433.509 0.700 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789296791 WECFDSIAUDNKAS-BXWFABGCSA-N 437.456 0.314 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)C[C@@H]21 1790793709 DUTCRXGSKNBWNO-NUTKFTJISA-N 439.921 0.938 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729295 IIQCUWUFGPBETA-USZNOCQGSA-N 440.390 0.504 30 20 ICED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1795091495 PLRZOYCBOOMLFL-AOXIVVNTSA-N 427.457 0.646 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1)c1ccc(O)cc1 1795894295 FMMPIYZWINAIFX-CROMWVBPSA-N 437.500 0.771 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nc2nccn12 1797744099 LZSCABVOBRUKPO-OMQMMRKDSA-N 439.520 0.713 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797838064 UFVCQRBQNUPNDU-WSKRMTLTSA-N 432.477 0.817 30 20 ICED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1Cl 1798346662 LFODMBIGDYIZGT-CWEBUXBASA-N 439.900 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1799304217 YUBMQOFEXHRALK-CCWDJLKJSA-N 427.461 0.442 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1801765283 PDXZZASYLDZFQM-CPSAJTAXSA-N 442.516 0.167 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1810439372 VODZGUATFRKJFK-VPWXQRGCSA-N 435.488 1.000 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811222646 XOKFWQUTGHNVGZ-VPCYTDGVSA-N 436.472 0.755 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811532559 HQNFOAIDHJBUNB-HNAYVOBHSA-N 435.444 0.153 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1817316878 MNPJVSLPNKULBU-CQSZACIVSA-N 444.496 0.235 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1819516422 RNLRASBBSXYJQN-SWLSCSKDSA-N 439.432 0.098 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026741 OBZXWCZYXCLOSS-NVXWUHKLSA-N 438.529 0.489 30 20 ICED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1 1822725410 TUZXIFQTDHZQRU-BZPMIXESSA-N 434.518 0.916 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826319900 VYNJCVANERUXEL-RYUDHWBXSA-N 433.490 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)s3)C2)C1 1829769038 MEVXMXRDPQKLHZ-QEVIJRNUSA-N 448.545 0.688 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830049754 DKIIVGCSEMFKIN-QFIPXVFZSA-N 431.489 0.949 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830182794 UBGALNJZGNHTPJ-KUHUBIRLSA-N 442.559 0.478 30 20 ICED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1830526434 VESCYLCOVZKAKJ-UGKGYDQZSA-N 431.489 0.337 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832209070 JNHUFCSMSBAWGO-QFIPXVFZSA-N 425.489 0.691 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1832453067 OJIAFOXQPANDTJ-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NC(C)=O)CC2)CC1 1833483518 JOYZOYPJBSVIAV-SREVYHEPSA-N 447.580 0.331 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833897976 ZXGWBDUNXNUGJN-UHFFFAOYSA-N 442.564 0.699 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c1 1835652025 AXWIOPHNYHWOID-OAQYLSRUSA-N 445.545 0.953 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763789 JLEFHIUYFIFFAC-ZJSXRUAMSA-N 448.608 0.977 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1)C(F)(F)F 1836130898 UXKACZSLGDWQTD-SFHVURJKSA-N 445.394 0.584 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836174080 APAVTWULQHMRLA-JOCHJYFZSA-N 439.472 0.290 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1836859104 OPUOEQRHXZXQBG-HNNXBMFYSA-N 444.488 0.825 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837531598 QMMCMBXNPRJAOU-YIPJSWNASA-N 448.476 0.386 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(F)(F)F 1837560178 RQOMEVAQOSWQCT-YAVFQVKZSA-N 447.410 0.468 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837755691 ADPCVLJXDSTKEF-OPAMFIHVSA-N 448.520 0.586 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(C)n1 1838045174 JEPIDGYAMBYOEF-OAQYLSRUSA-N 426.477 0.566 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(OCCCO)cc4)CCO3)C2)CC1 1838546541 FLZHBDCAFTUBJD-QHCPKHFHSA-N 443.500 0.822 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1838686625 BGDIPHYZOULNMR-QFIPXVFZSA-N 439.472 0.739 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nnsc4C4CC4)C3)C2)c1 1838736109 JUAPTELCSDGHIB-HXUWFJFHSA-N 442.501 0.999 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n(C)n1 1838950503 LWOAKTZLODQNDS-QFIPXVFZSA-N 439.472 0.684 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C)C3)C2)c(C#N)c1 1839132120 UHBOJTUXBVFMAT-QFIPXVFZSA-N 430.505 0.127 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839276567 OIVHWNKFQZIZAL-VFNWGFHPSA-N 449.435 0.842 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1 1839353080 RYLXMCOENLHZNM-BTYIYWSLSA-N 449.435 0.842 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363141 KVOYRSWERGVPBT-UGDMGKLASA-N 447.557 0.981 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)Cn5ccnc5)C4)C3)c2c1 1839487763 WNPSBRYXQCIBCI-JOCHJYFZSA-N 449.471 0.401 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839642674 XDELTDKAQLPXLN-UZUQRXQVSA-N 444.532 0.977 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839647905 GMFLSJYTIWPNTK-GSTVHYHFSA-N 426.473 0.668 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839684200 BDMLFXALOXNIQP-JLTOFOAXSA-N 434.449 0.518 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nc(C(F)(F)F)c3)C2)C1 1839809014 NVCRQELNGWJFCA-SFHVURJKSA-N 427.379 0.812 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1839842754 FSQAGKZCUSVBNJ-JLHGSKIFSA-N 445.520 0.264 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1)C(F)(F)F 1839894438 CAUKPOGIGWAJRO-IRXDYDNUSA-N 438.399 0.177 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)oc2ccccc12 1840042842 QIFCWFPEAADSDY-QFIPXVFZSA-N 426.425 0.899 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840161947 GSINJVMSAXDDHK-XOBRGWDASA-N 431.518 0.860 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840845311 SUQYNHUITIIFPX-IMAOXBOFSA-N 430.457 0.686 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902223 ACTTYFMNIONSHC-QYWGDWMGSA-N 435.546 0.580 30 20 ICED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1)C(=O)O 1843168867 CJMGRFKJGUJFIG-CYBMUJFWSA-N 439.394 0.852 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1846827931 WVGLBFYSRMEUQN-CYBMUJFWSA-N 432.444 0.570 30 20 ICED CN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 31152231 URKNSFHWYJDQNS-UHFFFAOYSA-N 448.593 0.602 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(-c2ccc(F)cc2)c1C 428756428 DOFPBIWPUMNQJQ-QGZVFWFLSA-N 438.463 0.686 30 20 ICED Cn1ccc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n1 434542520 AMVCVGRSGJLNLR-SFHVURJKSA-N 428.518 0.794 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3CCN(c4ccccc4)CC3)no2)C1=O 445491284 IBEHIEKMBSUGAE-UHFFFAOYSA-N 438.444 0.438 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 446679205 XJAVUCDTPQUMHA-QGZVFWFLSA-N 434.562 0.920 30 20 ICED COCCN(Cc1cncs1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 448426893 QQZCVCTYDCSRLZ-UHFFFAOYSA-N 425.474 1.268 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1S(=O)(=O)NCC#N 465058694 HVPUOMAXJVKMMF-LSDHHAIUSA-N 428.536 0.245 30 20 ICED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 465480735 XIFHJAIALFSZLA-OXJNMPFZSA-N 434.500 0.985 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCN(C)CC2)CC1 482185332 VSURYHVEUGGGHZ-KRWDZBQOSA-N 433.578 0.711 30 20 ICED CCn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 483002249 ZWZJOYVKSZMLOT-MOPGFXCFSA-N 436.582 0.367 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(Cc3ccon3)c2=O)cs1 489021586 ZALIXPTVMHNTEK-LBPRGKRZSA-N 428.495 0.820 30 20 ICED CN(CC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 495757020 DBWVMEJHSFIBLG-GOSISDBHSA-N 448.545 0.809 30 20 ICED COc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc(S(C)(=O)=O)c1 500255337 UEOMMDJYVSJEBN-UHFFFAOYSA-N 438.506 0.112 30 20 ICED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] 502589015 UXOJEUORGWSMEX-MRXNPFEDSA-N 428.405 0.707 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 505657159 CPDSPIHSCBBAGB-CABCVRRESA-N 428.514 0.097 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 505662387 MFILWSLOXSNUJZ-CVEARBPZSA-N 442.541 0.487 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2C1=O 506002646 OZOITVYGUIMZDE-CHWSQXEVSA-N 433.486 0.138 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@H]2CCOc3ccccc32)cc1 507938803 PBCZWSGJBPZGFK-KRWDZBQOSA-N 428.470 0.593 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c2ccccc2O1 513042464 RHGWPHOQPDCVIA-RXVVDRJESA-N 447.495 0.763 30 20 ICED CNCCCc1[nH]nc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1C#N 534061848 ZDWXUOCLDDJCTP-UHFFFAOYSA-N 439.480 0.376 30 20 ICED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 548617140 PHLJHBKPTPHBHU-HNNXBMFYSA-N 441.509 0.293 30 20 ICED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 556205639 GIPSUFLGBZUFNZ-WOJBJXKFSA-N 433.597 0.566 30 20 ICED N#C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C#N)C3)N2Cc2ccccc2)CCO1 576500795 WRKAQDJKNUMLDO-XSDIEEQYSA-N 437.500 0.522 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 588108470 YZXRIBWQHAUBSI-OAHLLOKOSA-N 443.460 0.624 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 590982804 QQDORPOPSXSBEK-UHFFFAOYSA-N 438.962 0.113 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCCCO3)c1=O 603986388 ZGRXUJVJPCVLBF-UHFFFAOYSA-N 441.509 0.523 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 604405373 CJQWFKWVAVRGEG-UHFFFAOYSA-N 427.479 0.867 30 20 ICED CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609968794 HODHQKBCYPXAHX-UHFFFAOYSA-N 444.473 0.831 30 20 ICED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 611606462 RRNZJZMKPYVNSI-UHFFFAOYSA-N 434.453 0.315 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1=O 613979315 BIPWFVXXIULAHW-QGZVFWFLSA-N 430.436 0.283 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCc3cccnc3)c2=O)cn1 727814250 PQWNIMBPWPSMEV-UHFFFAOYSA-N 434.525 0.406 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 728534528 LUTLGTFCAUQZBR-UHFFFAOYSA-N 431.543 0.893 30 20 ICED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)CC1 728570938 POKOZONCVWSLTN-OAQYLSRUSA-N 439.516 0.177 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1-c1ccccc1 730537877 UYZZKIXQYRZDKR-UHFFFAOYSA-N 425.474 0.797 30 20 ICED COCCN(C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 754279838 QFYBKXBEDLITBV-OLWAXZHHSA-N 432.564 0.681 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc3c(C(N)=O)cnn23)cc1 758001871 BQRLMDGVEZZJJW-JLPGSUDCSA-N 441.473 0.893 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 761024460 NVRUISWHZIABEF-VIFPVBQESA-N 440.394 0.794 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 767681992 UVELIPAQTKHYJO-ZDUSSCGKSA-N 436.490 0.927 30 20 ICED C#C[C@@H](C)N(C)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 769961262 JMJQLPQSXKULFZ-MRXNPFEDSA-N 427.505 0.902 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 772929036 CCRBKPUUDSXMQO-LIXBPZJASA-N 443.909 0.719 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 780055065 JLARATGSSLUYMB-CABCVRRESA-N 438.506 0.521 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1 782249760 MQLLUWPOACGBBB-HNNXBMFYSA-N 425.466 0.525 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789958780 KJESJMMCRZQFDS-OAQYLSRUSA-N 426.473 0.680 30 20 ICED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802678979 HRTIMCKPIZRHEK-DLBZAZTESA-N 437.570 0.444 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 811474720 ACEKDGXQDCKTNR-UHFFFAOYSA-N 427.486 0.783 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCc1cccs1 814250667 VKEGEJUFCYQTHK-UHFFFAOYSA-N 449.508 0.925 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(C)c2)c1=O 838244629 YERKJWNOSTXTBL-UHFFFAOYSA-N 439.497 0.440 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)N1CCOCC1 913476922 ORCGAXMZPSGNMO-UHFFFAOYSA-N 436.534 0.651 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCOC 916200568 HBPFNGDDNBJXQQ-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 917507238 RUVPPOFTHFQTEQ-WBTMPAOCSA-N 426.429 0.811 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917762549 VBSGKEKBQDXMJV-UHFFFAOYSA-N 448.570 0.463 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2cccn2)c1 918256280 XCTIXAHBPZZTKQ-QJOMJCCJSA-N 432.506 0.841 30 20 ICED CC(=O)NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 921165233 OBENZAHFUKZPSW-QJOMJCCJSA-N 437.522 0.470 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 1143087712 OVNAJNMXFXWTLS-NSHDSACASA-N 432.424 0.785 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)CC1 1320610110 ODTSCSAECSQCQJ-HUUCEWRRSA-N 441.579 0.831 30 20 ICED CC(=O)N1CCN(CCn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1541007127 JITWODIWWASXTP-NRFANRHFSA-N 437.548 0.956 30 20 ICED CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1552867325 MKUQYAQMMWASPN-MSOLQXFVSA-N 430.557 0.232 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1617386503 LBHINNUPAZZJPN-HNNXBMFYSA-N 448.505 0.384 30 20 ICED CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1710271176 RNXGWDVHIBHGQP-PMACEKPBSA-N 441.584 0.895 30 20 ICED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1747533299 VCIBHCUNIPHPIY-INIZCTEOSA-N 425.493 0.909 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)cn1 1769009069 KFWSUPWNGHOQBQ-MRXNPFEDSA-N 427.490 0.881 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778057175 VSFVBOUGLOKQFO-FKIZINRSSA-N 442.501 0.333 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)(C1)C2 1779021041 ZYLLECOZXQBGED-HOAOEZQPSA-N 432.521 0.631 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156038 YUYUOEUBOWXVLK-HXOBKFHXSA-N 444.484 0.318 30 20 ICED C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780756082 ZTVWBVIAISGUQU-YIFZBPKDSA-N 430.480 0.888 30 20 ICED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(O)c1OC 1781035785 QTKUFPYAEQUWBV-OPAMFIHVSA-N 446.456 0.625 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1782010814 ZLHRAWKFZKLOMD-IVZQSRNASA-N 439.424 0.037 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782017824 MYICUDPQICWPMK-VGOFRKELSA-N 449.504 0.457 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1782180291 YELLITYXHHMDBU-BDASQDPRSA-N 428.580 0.621 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccnnc5O)CCO4)C3)c2c1 1782196955 SWVBLLGUSDMXES-NRFANRHFSA-N 433.428 0.687 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1782199524 RKUSENRKTPXXNI-LHSJRXKWSA-N 434.460 0.731 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782935417 HKWIUTHXOYCYCV-LJBSOROUSA-N 447.532 0.608 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783112093 VIBHOFQLDPLJAU-DRSNIGMVSA-N 448.520 0.362 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1784505982 WXQYQDIVPVIBRS-NTPMHYTDSA-N 442.560 0.954 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784519466 VSRGKIZCIVGRTH-NZXNDOPNSA-N 439.534 0.359 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1784594818 GVALKGRSLMNYPR-SHYBKKQSSA-N 430.490 0.565 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)CCO2 1785426392 XYFWUEXROQTTII-STSQHVNTSA-N 449.548 0.848 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787504578 QMVLJUGZULMYND-OVWQWFNUSA-N 447.623 0.346 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788600984 QCUZMUNTRYDMKH-XGZMRPLRSA-N 439.520 0.794 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc[n+]([O-])cc5)C[C@@H]43)c2c1 1790327495 MIQOXQPYEYNZGC-QRFRQXIXSA-N 446.467 0.975 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)[C@H]2C1 1791239045 YOQHYKABZUSCBQ-MUJBESKKSA-N 434.533 0.984 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791273172 SCPNZHPURRBKCY-NXOAAHMSSA-N 425.526 0.818 30 20 ICED 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)CC1)C2 1793089324 SADJAQTZZJKDGD-FSDCSDTHSA-N 446.504 0.458 30 20 ICED C=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]1C[C@@H](O)C1)C2 1793597312 KWNNELJGWDENQV-GVLSGGHMSA-N 437.537 0.816 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 1795310338 FIUCJCRYCPZXEQ-UPHUGPLXSA-N 442.516 0.829 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1797811315 KVCUTOZGPGQPHS-PUZBOVKYSA-N 431.493 0.528 30 20 ICED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1799288575 ZMYNVBBOLJRQMH-RMIITELYSA-N 449.305 0.658 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)cc(C(F)(F)F)c1 1799787099 WYLOXGSFHPEVLS-JLVBRIDZSA-N 441.406 0.789 30 20 ICED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885532 KRZHCRCNTDOTRG-DACLVMHWSA-N 443.529 0.752 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)CC1 1805954242 RXAMTBYTBLLHEO-IRXDYDNUSA-N 427.567 0.584 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1810248095 ANCXBBPDNQDWAB-ONTIZHBOSA-N 443.592 0.908 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812812884 QCNCZNCGDDUEOP-DNVCBOLYSA-N 430.461 0.700 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813047350 NBMAQQYXERHINZ-BEFAXECRSA-N 434.460 0.331 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817100768 KVWXQKCDORLEGD-JTQLQIEISA-N 445.505 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CSc3nc[nH]n3)sc2C1 1826665641 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1831396830 LNVNYKUDHRBCGX-SBUREZEXSA-N 438.484 0.738 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831552972 FJRBMBKYAPDVOY-UAOQYHQXSA-N 439.534 0.993 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1831950777 INZBJXLBZDGVLH-QFIPXVFZSA-N 445.520 0.442 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370924 NACXOGUSBDLDBT-LPHOPBHVSA-N 426.539 0.005 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1832930528 IGQKVMITTACIRJ-OAQYLSRUSA-N 425.445 0.562 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(Cc3ccccn3)CC1)CCO2 1833114324 ZXWDYFGVKNDZOQ-HSZRJFAPSA-N 426.517 0.383 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835284969 FEWPOYTYKNCZHJ-XSFXMOAZSA-N 443.500 0.035 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672731 KFGRLEZOJDDZAA-AVRDEDQJSA-N 446.552 0.257 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835732642 SLBLULIVUHSGMY-MXJLDLDKSA-N 432.569 0.166 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969694 SAPSXGBRCLJREA-HNAYVOBHSA-N 426.901 0.584 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837431553 UHNLKIOHEBVHFG-NRFANRHFSA-N 437.613 0.759 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835448 KIMFBYLGFHNUSW-OAHLLOKOSA-N 431.470 0.922 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598146 SFDIIMGOFAFGPI-VLIAUNLRSA-N 434.880 0.416 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ccsc5n4)C3)C2)c1 1838736937 BZGGTLNBDKWCKP-HXUWFJFHSA-N 440.485 0.979 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906123 RWOAIQWYBSACPV-QHCPKHFHSA-N 439.516 0.910 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2)C(=O)C1 1838993550 ZFAMXARWHFTMHY-JOCHJYFZSA-N 439.472 0.783 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105496 QCZAKJYAHPAQMR-UEXGIBASSA-N 442.626 0.033 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839223478 WSXJAWZGONTFJC-DYESRHJHSA-N 434.493 0.718 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c(Cl)c1 1839422743 KZGUXLTYTXBLQD-OXJNMPFZSA-N 448.863 0.390 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839737902 DNXXJYZDSUZUFD-XIKOKIGWSA-N 441.410 0.513 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1)C(F)(F)F 1839894732 OEROGZUWNUPMAC-GOSISDBHSA-N 433.427 0.574 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840043622 KMKQHSVHAPYLDZ-FQEVSTJZSA-N 431.832 0.370 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840165573 CEOSXAKRDPZTID-DJJJIMSYSA-N 439.490 0.992 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840246288 AQJHKORTRZENNH-MDASCCDHSA-N 432.876 0.877 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1)CCO2 1840349034 WMFWHUYWCCYUGB-YTWXUOMVSA-N 430.505 0.364 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840437981 LVJLOSNQBWOIBI-JOCHJYFZSA-N 429.521 0.730 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458186 QMOGRODSTBNDRX-JOCHJYFZSA-N 446.504 0.375 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841300847 ZJULNYQMPBGTGD-HNNXBMFYSA-N 439.509 0.585 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 409542114 CRHPIWBKOUOBTB-IAGOWNOFSA-N 448.615 0.447 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCC1 431017334 PSWAGECTKJSMCZ-UHFFFAOYSA-N 429.546 0.723 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)s1 435422001 KFMGRFKKBZQXSW-UHFFFAOYSA-N 441.560 0.445 30 20 ICED N#Cc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3(C#N)CCC3)c2=O)s1 438870603 WRFKALKHYCMDJT-UHFFFAOYSA-N 438.534 0.994 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCOC1 441961794 CBVQQSQKZLEGKA-INIZCTEOSA-N 427.526 0.520 30 20 ICED Cc1nsc(N2CCN(C(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 461189105 FQNWPRUXNGLXIJ-UHFFFAOYSA-N 437.551 0.382 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN3CCCC3)c2)cc1 462855752 QWHCSNSYOOQIJW-LJQANCHMSA-N 440.504 0.833 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 475462240 APKTVZDPHZKSLZ-UHFFFAOYSA-N 438.550 0.660 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 478939653 XDOYLKAHSZQVAB-WMZOPIPTSA-N 436.534 0.175 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 479462499 FVQFRPUEPKLMOP-CYBMUJFWSA-N 433.490 0.206 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 484377224 ZDUBEFQZKWBWOX-GOSISDBHSA-N 427.505 0.306 30 20 ICED C=CCn1c(SCC(=O)c2c(O)nc(=O)n(CCOC)c2N)nnc1-c1ccccn1 488915834 WNEKEXDGGABCMM-UHFFFAOYSA-N 443.489 0.992 30 20 ICED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cn2)CC1 497457660 OXJIZHLVQYBPEJ-MRXNPFEDSA-N 442.545 0.470 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 538035006 SUVXVEKPLWFRPI-UHFFFAOYSA-N 437.504 0.735 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1 540260231 AZNJQNWHQSESGK-HNNXBMFYSA-N 429.525 0.866 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)n1 564111464 YCPUUYGXBNCPIX-MOPGFXCFSA-N 426.521 0.096 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccco2)c2ccccc2OC)CC1 570719282 MGWWIKKDMKHAMH-OAQYLSRUSA-N 440.500 0.940 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 578808227 XCHDWLUTRUBDNI-IBGZPJMESA-N 437.481 0.626 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1CC(N)=O 578816306 RQLYXUAGVCUBPR-UHFFFAOYSA-N 434.905 0.086 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(C)C)CC2)c1C#N 583275858 ANRNERUXPKRQAG-OAHLLOKOSA-N 449.585 0.785 30 20 ICED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1 589248769 MQEIJNLZZCNOTH-WJOKGBTCSA-N 445.501 0.872 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 604270079 DIBBRSYEBQXMEG-UHFFFAOYSA-N 446.960 0.927 30 20 ICED CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619806369 LDLRPFOUHZUHPR-LBPRGKRZSA-N 434.526 0.972 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN(C)C)CC1 728202628 JBBAGESHLVOBPI-QGZVFWFLSA-N 449.577 0.372 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 732056836 DEMFYHFLDOKOIS-IRXDYDNUSA-N 436.534 0.630 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C/C2CCOCC2)CC1 732693059 NQBVMVHPVCJHRS-AATRIKPKSA-N 447.513 0.917 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 749705191 PUFOATSFWNRLHG-QGZVFWFLSA-N 430.505 0.323 30 20 ICED CC(C)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 753868650 BPTVUXZTQJCTKT-LBPRGKRZSA-N 444.477 0.797 30 20 ICED COC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757291778 LLQAIDBGHIISIX-AWEZNQCLSA-N 437.460 0.880 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 758077077 ONBJUHBMMHPECP-UHFFFAOYSA-N 445.447 0.958 30 20 ICED C#CCN(CC#CC)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 774304032 NNELPOGJKRFNNV-UHFFFAOYSA-N 441.531 0.459 30 20 ICED COc1cc(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C(=O)O 794840619 JKDCKAJKYSTXQX-UHFFFAOYSA-N 430.240 0.598 30 20 ICED Cc1nccnc1N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 799427301 ATZSRQUBOGHBKL-AWEZNQCLSA-N 428.518 0.951 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1CCOC 800847159 PWRXRHXGKCPWTO-UHFFFAOYSA-N 429.527 0.267 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCCc1ccncc1 805983807 NOFUPQBEDZWILA-GJZGRUSLSA-N 430.486 0.911 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CC1(C)OCCO1 807418788 YFTWNYANCCFTKX-CQSZACIVSA-N 431.493 0.978 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n1 808195223 FNVHJNGHVOVAGZ-LJQANCHMSA-N 438.488 0.198 30 20 ICED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815871756 UCOHZPNLICEDEN-USCXLKSCSA-N 435.550 0.991 30 20 ICED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(C)c(=O)n(C)c3=O)nc2)C1 839397700 CXJQANZKRXRUBQ-KBPBESRZSA-N 434.522 0.592 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 856708297 IJUOVBTVCWUBCY-VLIAUNLRSA-N 447.517 0.767 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)c(C#N)c2N)cc1 918574343 MFYIBLQTQKDLNR-FLIBITNWSA-N 447.499 0.794 30 20 ICED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)cn1 1117671398 ASIGZLOEGJJBSJ-QGZVFWFLSA-N 430.486 0.811 30 20 ICED C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1448112739 QBXJDVUUZOIMHQ-ZDUSSCGKSA-N 431.474 0.580 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NCc1ccccc1 1541679320 XDJGBNRQZIROGY-KRWDZBQOSA-N 425.493 0.852 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1617313020 OWMFVPIHSOWVFZ-UHFFFAOYSA-N 440.551 0.237 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1624820022 VRNOWSJZZCQIKQ-ZFWWWQNUSA-N 433.511 0.912 30 20 ICED C[C@H](CC(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)/N=C1/NS(=O)(=O)c2ccccc21 1638603591 JENXRMNODCVOLY-OCCSQVGLSA-N 440.547 0.749 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1=O 1641372219 VMRGNEYEVBGGET-CYBMUJFWSA-N 432.424 0.070 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1690958312 RRKWGCQNZNVBKP-FQEVSTJZSA-N 449.519 0.919 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1712881160 XBWDGNBQBGTXBA-GOSISDBHSA-N 437.460 0.316 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1750208980 LJODSWKCEMEHQA-RDJZCZTQSA-N 431.522 0.274 30 20 ICED CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1766266794 HRFSRZKMDKZIAO-DYESRHJHSA-N 431.541 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3cnn4C)C2)C1 1778024214 FVNYHBZVLADXHY-XBKFQHLESA-N 437.500 0.875 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)C(F)(F)F 1778381698 CGTUBWPXURBWRJ-GOSISDBHSA-N 441.410 0.579 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)ncn1 1779062096 DECRGSRAUHHPBD-JOCHJYFZSA-N 442.472 0.317 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779064431 LFWWMPHBZNFZQL-HSZRJFAPSA-N 437.500 0.871 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779525623 OKGHDRJIBTUBIC-QOOAHNBZSA-N 430.465 0.090 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780016676 MTNQYLKSBRTONR-YCRPNKLZSA-N 429.477 0.366 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1Cl 1780191951 MYEJZLAETGPCEU-NRFANRHFSA-N 432.908 0.987 30 20 ICED COC(=O)c1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)s1 1780529898 JPUMLLJLRBKYDA-IIBYNOLFSA-N 448.497 0.679 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)c1 1783261609 FQZMHZLBYGUWGI-JPYJTQIMSA-N 444.532 0.044 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783901809 YTYKJMZMRBTVGZ-NJSLBKSFSA-N 431.555 0.410 30 20 ICED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CCN1 1784034084 GYEVNFIRBWJEMS-LNWWNNNNSA-N 431.514 0.843 30 20 ICED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C(F)(F)F 1784874419 HXSASAHMFLWKMM-BSECGTPYSA-N 434.459 0.751 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1785576107 HWHDBWSZQIVNBF-JTSKRJEESA-N 445.520 0.699 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786645084 QAPOZMMBVBDCQG-SZMVWBNQSA-N 438.933 0.716 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1789890283 LJLHYIMBDXHUDN-BZSNNMDCSA-N 431.489 0.337 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174092 VPTPZAVDIYMETO-JGFGOLAASA-N 445.582 0.764 30 20 ICED COC[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 1791259066 NGSCMZDCXWUUFL-CWVYHPPDSA-N 445.582 0.824 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccnc(OC)c1)C2 1792484315 LOHKVNPNSXQQTO-UPZFBSBQSA-N 442.516 0.471 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1792489066 CRVKJYZRQYPLIT-CXMDPZGFSA-N 443.460 0.360 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)nc1 1795598010 SVCCNBQHUXCZGF-HGKCTWBKSA-N 428.537 0.633 30 20 ICED 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)CN)C(C)(C)S 1796782699 AJFIMEUOYBSMBE-AIEDFZFUSA-N 443.614 0.512 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2)[C@H]1SC(=N)NC1=O 1796874380 RJBASZKALMVVTJ-SBJFKYEJSA-N 434.566 0.709 30 20 ICED 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CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@@H](C)C1=O 440979150 CMINYBPSUJFPRA-AWEZNQCLSA-N 426.452 1.537 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 446950480 OUTSKLLBPPTLAT-CYBMUJFWSA-N 436.515 0.497 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cn1 460714662 CUZKTECRANYXLF-UXHICEINSA-N 445.483 0.829 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)C(=O)[C@@H]1C 460774809 YQTXLSZVFGCFHB-LSDHHAIUSA-N 426.543 0.244 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1C 469848840 OEUYXPBOKFSDKE-DOTOQJQBSA-N 434.518 0.275 30 20 ICED N#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 471228968 ROKAEADPAKWHDK-CYBMUJFWSA-N 428.898 0.524 30 20 ICED C[C@H](O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 476871055 WDAZERWZNOBWNB-IRXDYDNUSA-N 434.562 0.872 30 20 ICED COc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486630127 UXPMUKSFXOJPFO-KRWDZBQOSA-N 428.470 0.745 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1(C)C 496382687 VRLSZJRIEXIQEG-UHFFFAOYSA-N 426.565 0.345 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1=O 500014418 ALPZIYMDJGSMSJ-PXNSSMCTSA-N 442.516 0.216 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 501975915 CRFOFUFCPTUSNY-CYBMUJFWSA-N 444.491 0.282 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505657472 GDUPYSYOCJOLEM-UHFFFAOYSA-N 429.546 0.572 30 20 ICED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 507807949 MJONEXJYYSSSPP-UHFFFAOYSA-N 441.473 0.557 30 20 ICED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 508497310 KSVABCFNWVNXMF-HUUCEWRRSA-N 426.543 0.292 30 20 ICED CCc1oc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1C(=O)OC 509383352 BXTIFUXCYJVQLO-UHFFFAOYSA-N 427.482 0.968 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)n1 513761546 UZLSVNQAFSWYBS-UHFFFAOYSA-N 442.432 0.785 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 515942782 MOHOTBGXRHNILG-UHFFFAOYSA-N 443.467 0.897 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1CC(N)=O 525266046 FOPMDIBVLSYIQK-UHFFFAOYSA-N 449.492 0.706 30 20 ICED C=CCN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 533391022 UMOYNYJDHDJMQO-NSHDSACASA-N 437.337 0.912 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 536085755 XXCFNFBIDOAQRB-KRWDZBQOSA-N 440.525 0.236 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 541145616 KNJMEKQTVWFBQG-CQSZACIVSA-N 442.407 0.102 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542940901 QLUDYRLOWUXKOG-UHFFFAOYSA-N 434.499 0.698 30 20 ICED COc1cccc(N2CC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 553003298 GAFKKQOUUKRRJJ-CQSZACIVSA-N 425.493 0.658 30 20 ICED CN(CC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557141834 WLMLXTVFAUHMHV-OAHLLOKOSA-N 428.536 0.109 30 20 ICED COCC[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 572688736 BOXNGOKLZUMHIT-HXUWFJFHSA-N 436.534 0.176 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 588907513 OMEMYNXORUSFOO-QGZVFWFLSA-N 435.554 0.446 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 590419104 CAIRPSSICPUNRF-CYBMUJFWSA-N 434.478 0.370 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 606024694 GDALYXSOIMZUMJ-QGZVFWFLSA-N 429.477 0.782 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 609029050 SNDMWRDOHOKIQM-GOSISDBHSA-N 434.518 0.732 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 615154490 QCRCJYARHQRFRC-MRXNPFEDSA-N 427.548 0.096 30 20 ICED C=CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CCS(=O)(=O)C1 727102952 AWVLMSCTEYNMOY-JTQLQIEISA-N 444.311 0.094 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccc(OCc3ccccc3C#N)c2)c(=O)n1CC(N)=O 731352323 IIMVINDJYPUYBC-UHFFFAOYSA-N 441.472 0.872 30 20 ICED Cc1c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 748428641 OPOUKIYWKQNLDC-ZDUSSCGKSA-N 439.453 0.836 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC3CCOCC3)C(C)C)CC2)o1 754505007 MMZXZZLXVOSLBS-IBGZPJMESA-N 433.509 0.840 30 20 ICED N#Cc1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cccc1S(N)(=O)=O 754960197 CGUIYFBGWYLSGE-UHFFFAOYSA-N 442.469 0.995 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)C(=O)OCC 763280127 RDXYRUKXALTHHK-LIRRHRJNSA-N 425.507 0.714 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1Cc1ccon1 765146787 WYKJZLJSPOQQBA-UHFFFAOYSA-N 444.476 0.652 30 20 ICED O=C1NC2(CCCC2)C(=O)N1CCc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1 771198439 WUXIKMYPLPSDMH-UHFFFAOYSA-N 444.473 0.715 30 20 ICED CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888200 AFVYEAPRYQRYJZ-ZDUSSCGKSA-N 443.526 0.528 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc[nH]n1 772545758 VFXQMLNOTUXNTD-INIZCTEOSA-N 428.449 0.396 30 20 ICED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 773942748 KBKVDWAPLFCKRC-OAHLLOKOSA-N 437.518 0.913 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 776626424 CHVQQQCZSJRKMY-RCCKNPSSSA-N 437.503 0.794 30 20 ICED COc1ccccc1C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776684105 SSEWEVMIOZMFAQ-CQSZACIVSA-N 431.470 0.793 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 783351265 WVXGYMWDXGBVDD-GOSISDBHSA-N 445.545 0.986 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 783453322 SQYZJKCKQCVRNO-UHFFFAOYSA-N 438.488 0.232 30 20 ICED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NCCC#N)CC1 786437892 STACXLWCDJGNPZ-UHFFFAOYSA-N 437.474 0.447 30 20 ICED C#CCn1ccc(CN(CC)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 789043252 ZLHKNOHLXYJMDJ-UHFFFAOYSA-N 433.538 0.635 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 789797128 PZWNEQGFVLWRTI-OGTCDWKQSA-N 447.517 0.177 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 789843413 KVAZEBXIVPYINO-UHFFFAOYSA-N 440.479 0.898 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2CCCS2(=O)=O)cc1Br 790840007 UULDVAZULCAWPK-UHFFFAOYSA-N 436.309 0.551 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C(C)C)c1=O 794581679 PIWFFQQUKPPHQX-UHFFFAOYSA-N 441.513 0.746 30 20 ICED C=CCN1CC[C@@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 798562437 LAILYMPBTAYVKL-GOSISDBHSA-N 449.529 0.630 30 20 ICED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 804387621 DFCJWHNRSSDTSW-ZDUSSCGKSA-N 430.490 0.267 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCSC 812279286 NUCBWCFTAWJJGE-UHFFFAOYSA-N 439.513 0.749 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCCC(=O)OC)c2=O)c1 917783118 HKBZSCMGOOHOBW-UHFFFAOYSA-N 427.482 0.915 30 20 ICED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)nc1 917879506 DESJHIUBYYKNIL-CQSZACIVSA-N 429.458 0.781 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918430241 LOYZAJCFGRPEED-QIAIEURZSA-N 436.490 0.459 30 20 ICED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C 918729854 KSMFOKHFDHCYND-UHFFFAOYSA-N 441.538 0.487 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1=O 1189987784 PIFGJNCUTXZFRW-UONOGXRCSA-N 447.435 0.933 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)n1 1304754959 TVEWOIKYBCNTBP-IBGZPJMESA-N 426.460 0.735 30 20 ICED COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1315114886 RPVDUSXZCSEIQC-ZIAGYGMSSA-N 441.558 0.963 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1554504124 URHHJCDDHAFORF-IRXDYDNUSA-N 443.533 0.613 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555985735 VMAXQYYWRKRZSD-RTBURBONSA-N 437.472 1.000 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3CCC(O)CC3)CC2)c1C#N 1612470586 SBSJQGXTANIHIB-UHFFFAOYSA-N 427.557 0.674 30 20 ICED CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1624439592 ZTUAYMOAEGYWHG-INIZCTEOSA-N 425.507 0.817 30 20 ICED C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1722485735 QSEOVYOPRPVOHR-GFCCVEGCSA-N 436.332 0.356 30 20 ICED CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1729715014 TYIMHCDGGUYBCK-UHFFFAOYSA-N 436.520 0.848 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1730409262 ZKGWIHBFXOMSHQ-ARFHVFGLSA-N 427.465 0.706 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1750015654 OVHFSALYKZEDNR-YOMUGFJLSA-N 440.504 0.698 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1752454131 XGIBYIDUMWHYGJ-JNAXZKDPSA-N 431.518 0.980 30 20 ICED C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760697787 WNUWRFKVWDVEOG-QRWLVFNGSA-N 443.533 0.662 30 20 ICED CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1769269108 UIDIMSAOTYMNAK-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@H]1OC 1770297038 UIPSJZNOAYZMAD-HDICACEKSA-N 446.533 0.702 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1779123028 KOUQINVVZYVSNJ-DUYDGHCJSA-N 446.508 0.014 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360737 NIQMPAJXNRRFAA-KTXIYKQSSA-N 445.564 0.830 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780329881 GWPPZEFOYCBTLI-KKSFZXQISA-N 447.492 0.215 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)C1 1780762073 QVUWUWZPJHSOEM-HVETUWLQSA-N 435.521 0.817 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781108143 PQVJLJUIEBKDII-JOCHJYFZSA-N 448.564 0.106 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781206712 BXFURJCGKWASDL-GKIWIXTESA-N 438.488 0.697 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1781269401 PUKMNNULQXYQAW-NRFANRHFSA-N 427.461 0.682 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cc1O 1782191956 CFUGMYKKHQSMDF-NRFANRHFSA-N 435.444 0.631 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197064 YBBUWZBXXIFXBO-RCDICMHDSA-N 436.472 0.569 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCNC5=O)C[C@@H]32)C1 1783464092 SWXFDFOIUDWXAC-QOKNQOGYSA-N 427.505 0.576 30 20 ICED O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783498131 WTCUYHVJLMVUSG-IWDKLMIJSA-N 437.610 0.487 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783686319 PCXHLCXLEAQWLT-HSZRJFAPSA-N 430.501 0.700 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1783923503 JMTWPGCKVNSVGG-IERDGZPVSA-N 439.509 0.849 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1785572569 MPBNHCVUZWHBNX-ZHRRBRCNSA-N 445.520 0.780 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398380 XJNUHCQZQHWWFS-IAVJCBSLSA-N 437.566 0.794 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC)NC(C)=O)C[C@@H]21 1789894948 YDLVBTLMDDDIGB-VJANTYMQSA-N 437.537 0.780 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1792257187 AZCZDBWVLPEFML-ATIWLJMLSA-N 436.553 0.478 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2 1792491308 JKLUBYSHJKEAAE-JLRLZTEKSA-N 433.455 0.955 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)c3ccco3)c2c1 1792523573 CJPVXBWTMLWDHP-ZZXMYQEDSA-N 435.440 0.964 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2 1793344840 UCXOGUUXRRBEPX-YCGPWUDHSA-N 427.501 0.878 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1793357694 XHSZPGCOSMCMLW-GGXPGOJBSA-N 440.500 0.728 30 20 ICED 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)c1 1794752516 VXTBWKLKHMLXED-XMTFNYHQSA-N 445.520 0.540 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795866435 CMLGDXNTLPMXDY-ZMMAXQRCSA-N 447.536 0.942 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796298069 JVCFGVBAYVJPJX-QKPAOTATSA-N 431.497 0.228 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1nccs1 1796409634 XNPWIDQWAXBMOO-WSPNOZGASA-N 433.534 0.392 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1797784142 ARJZZCVOSJKDLJ-XAPVIXHLSA-N 442.468 0.123 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799801035 GTRQATHBZIVYEP-SFNKJDCFSA-N 430.461 0.134 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1802476652 LVRGTWYMBUPDIW-GRNXDFJHSA-N 427.461 0.054 30 20 ICED C#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195520 CXBUPLKARCASAA-RXVVDRJESA-N 432.546 0.231 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806584229 HXMMLFPPAIGWSA-UHFFFAOYSA-N 432.525 0.051 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807697821 YRJGFLJWFACWFV-VDHNLKNASA-N 425.489 0.522 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807912448 YAFPJZUKAYWEIU-KRXUUXHPSA-N 441.576 0.762 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1810248094 ANCXBBPDNQDWAB-JAXLGGSGSA-N 443.592 0.908 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872512 DOCVJEVTMFPJKJ-VZHLBOQGSA-N 427.457 0.765 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813036347 SZFCJRFXSZQCLR-QILLFSRXSA-N 440.591 0.136 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814326088 KTANHWZOIORZIR-LLVKDONJSA-N 429.520 0.609 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C=CCN3)C2)C1 1828806254 NOJCZSKAEOVJPE-WMZHIEFXSA-N 437.500 0.880 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1829902178 JWTDGENECCOBLW-OAQYLSRUSA-N 445.545 0.574 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C)COC2)CCO3)c1 1830033360 LTEVZPTZFRWQFW-JOCHJYFZSA-N 429.473 0.673 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3SC)C2)C1 1831396539 NWECYHYLLBDPOO-HRAATJIYSA-N 433.530 0.912 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1831431226 BNZBKHSHIIGDBV-YVEFUNNKSA-N 447.414 0.485 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881508 NTEYMCHXNCBKTF-HSZRJFAPSA-N 444.532 0.785 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833351073 CIJDGBMASCJSBR-FQEVSTJZSA-N 428.424 0.390 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833465027 GHPYLMPEPGAPDZ-QGZVFWFLSA-N 434.581 0.759 30 20 ICED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1834084284 FLBKFOQRBRLRKR-KKRXVXNVSA-N 447.492 0.384 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)c1 1834706480 PEFZLYNAVGWDHL-UHFFFAOYSA-N 437.548 0.583 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665526 XAWGCBSUGRMAMS-GOSISDBHSA-N 437.614 0.846 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835988231 JJLINSSNTRFDPA-LAUBAEHRSA-N 435.525 0.610 30 20 ICED O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)O1 1836902223 WRUVNSXQQOQFHU-FSTGKYBXSA-N 435.525 0.565 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155276 DRRLKGJNVVAGQA-HTAPYJJXSA-N 426.473 0.443 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)o1 1837441063 PFLNSHHLOXXGBJ-GWJNGDFSSA-N 448.524 0.282 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531210 DVJZVPBTSOYBRM-ASPARNDVSA-N 448.520 0.933 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562194 HKTDGRSILLDTCZ-YUTJSNEMSA-N 431.449 0.347 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1837767869 OMYHUKUVBWZAGC-FQEVSTJZSA-N 438.431 0.863 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1838349086 GLBVCULAEXCTRU-IQTGRTGDSA-N 443.460 0.267 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)CC1 1838629449 VOIPKUFALKFSBY-MOPGFXCFSA-N 449.548 0.846 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838737130 JRTAKLQWOHNGTB-XNGFIGEISA-N 427.505 0.297 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1839172587 WAYKSSWUZASCNW-LJQANCHMSA-N 430.448 0.998 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839223024 IXBGCTNINGPICH-QRWLVFNGSA-N 426.514 0.158 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n[nH]1 1839223890 KACFKLBOKZERFE-YWZLYKJASA-N 435.481 0.483 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1ccnn1 1839710837 QXJIMAKLBHGAFE-QVKFZJNVSA-N 442.451 0.620 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1839843183 SVFGHBBQJPERDT-HXOBKFHXSA-N 446.548 0.955 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(N)=O)CCO3)cc1 1839861120 GMCNDAKHAVEZMA-QFIPXVFZSA-N 428.489 0.213 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839887942 URQSAVJGDHXXGN-FXAWDEMLSA-N 438.475 0.619 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839906021 GTTZNDRTSOTMCH-XBKFQHLESA-N 443.500 0.250 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840166477 KYUOGJBZDMDKTB-OAQYLSRUSA-N 445.545 0.902 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1840193202 AAPJCWQXBUEEBT-HXUWFJFHSA-N 433.486 0.446 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840812129 ANCJWVXLQYIOFI-DRSNIGMVSA-N 433.505 0.726 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840820634 BIJXOQKGHAIOPW-SGAADRECSA-N 441.484 0.286 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840856894 DAKBWDPPKNGEJT-REWPJTCUSA-N 447.507 0.905 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N(C)C(C)=O)C1 1843428553 ADCIKQXYXLOTQW-DOTOQJQBSA-N 434.537 0.973 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844718354 OYANEXVKNAGXDE-HJWRWDBZSA-N 441.484 0.511 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)CC)C2 1847069569 NQZVNEIDNHCRLB-HNNXBMFYSA-N 441.550 0.541 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)nn1-c1cccc(=O)n1C 1847803082 PMPJORUOVLCUGT-BZSNNMDCSA-N 437.500 0.733 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCc2cccs2)c1 16559129 GPPRGCLNFMIKPE-UHFFFAOYSA-N 435.483 0.842 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 16982245 IVSUYRHMFRANPL-LBPRGKRZSA-N 440.478 0.693 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 17997004 DSSRVRTYMAYXBS-UHFFFAOYSA-N 445.444 0.921 30 20 ICED C=CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 108751640 HCPHKLSYQJXPCF-ZDUSSCGKSA-N 438.535 0.999 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1CCCC1 410391664 VQXLBGWKBGLOTQ-INMHGKMJSA-N 448.615 0.397 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 431989739 DIRGNEKSEMULDF-HUUCEWRRSA-N 449.533 0.303 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443017937 ZYAYDFLBNAGCTP-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 446055303 RWQOCDAGLLLHKG-CABCVRRESA-N 444.521 0.838 30 20 ICED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447751533 BFRKDAUBLZCOTL-HNNXBMFYSA-N 442.567 0.823 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CC1 461358024 GKRFMVBPPXVSPO-ZDUSSCGKSA-N 438.509 0.779 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 464851784 AUTCWCYNTAAHQR-KRWDZBQOSA-N 425.537 0.720 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 467946549 ANAKVJIQWQNKQX-HXUWFJFHSA-N 434.518 0.560 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)o2)cc1 468903660 JWVFMEOJHFIMDP-UHFFFAOYSA-N 442.457 0.995 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 477895274 XFHTXRMHYTYAJG-UHFFFAOYSA-N 443.460 0.503 30 20 ICED Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 479131336 OUOOHXRIDXRGBZ-AWEZNQCLSA-N 431.561 0.646 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 480520573 BSIRAJLLYSEILB-GFCCVEGCSA-N 448.530 0.954 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 480790763 YODRYEHPOQYLOR-MPBGBICISA-N 441.469 0.918 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)n(C)c1=O 486273283 XFYWRZXGLFZFRY-UHFFFAOYSA-N 438.444 0.542 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 491080456 KYAANKPAMYMLIK-UHFFFAOYSA-N 429.521 0.554 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCCC(=O)OC 501770324 OHKHFSKWUOBWID-UHFFFAOYSA-N 441.509 0.677 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1cccs1 505665622 VEQMSOQORAYIAM-UHFFFAOYSA-N 443.554 0.327 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2cccc(C)c2)c1=O 512746777 NXNAQRRJMCDJFP-UHFFFAOYSA-N 437.525 0.690 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccc(OC)c3)c2=O)cn1 523180308 JOYNXTRHMXOXQB-UHFFFAOYSA-N 435.509 0.906 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 530317666 KGWOGLAHLIGCHO-ZDUSSCGKSA-N 431.901 0.547 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)n2)c(Cl)c1 541138593 MOOXOUJNYMUHHX-UHFFFAOYSA-N 429.824 0.394 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1 544868956 KSTCJPSDLKFOLY-INIZCTEOSA-N 449.533 0.494 30 20 ICED C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549646374 LNCASJHISWZLFE-ZDUSSCGKSA-N 448.325 0.769 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 550204198 DTLLDQSPLYOFSF-CALCHBBNSA-N 428.537 0.606 30 20 ICED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 550799823 SVDAYMVDGKKDLN-UHFFFAOYSA-N 437.504 1.081 30 20 ICED COCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)cc1C 554477268 OSIXASKYLAPFLJ-UHFFFAOYSA-N 444.513 0.822 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)c(F)c1 561047382 UCZOQJAIQROONK-QGZVFWFLSA-N 427.480 0.817 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1C#N 561060833 OPJLZWGXKGSUNS-FQEVSTJZSA-N 449.559 0.887 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 561218196 AHLQNFBATPGDEJ-IAGOWNOFSA-N 427.548 0.697 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)nn1 576436923 HZIVJGXEZXHWGD-UHFFFAOYSA-N 437.489 0.895 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 579238321 ZIYAPDQYYXNZML-MRXNPFEDSA-N 426.525 0.318 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 582929628 OPDYEXCZNOWZAG-PZJWPPBQSA-N 428.533 0.778 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 589157128 LKNYRXDZTDHVMC-SNVBAGLBSA-N 447.900 0.895 30 20 ICED C=CCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 658482359 UHJBPXFTEBTTLP-HNNXBMFYSA-N 430.548 0.908 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCSC)NC(=O)Cc2ccccc2)CC1 733149545 JVXOLSPYLFNTTB-FQEVSTJZSA-N 444.601 0.751 30 20 ICED CN(C)S(=O)(=O)c1ccc(OCCOC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741344216 YEMPRZFXPNPFPG-VHEBQXMUSA-N 437.474 0.775 30 20 ICED C[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742664104 NSACVVIHPKEGKN-KRZJZYHWSA-N 431.474 0.146 30 20 ICED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 759716749 DTXMJCUEFOGTNZ-GOSISDBHSA-N 432.462 0.769 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)ccc1F 760673524 BYCAOHZFUHBJSZ-ZDUSSCGKSA-N 437.453 0.755 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)cn1C 765748677 NZTVFYNLFUFRIX-UHFFFAOYSA-N 432.506 0.847 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2C)c1=O 766394405 IWVAZWHDENBIFV-UHFFFAOYSA-N 427.913 0.867 30 20 ICED Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 767708808 QSMABPUFTCPTNY-UHFFFAOYSA-N 447.473 0.316 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(O)cc(O)c2)CC1 768598536 MTXCBAOFYPOBBR-UHFFFAOYSA-N 445.453 0.659 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)c2ccccc21 769884716 BCUYBEUAMZVTSP-UHFFFAOYSA-N 439.541 0.953 30 20 ICED C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 771889271 AGDALMYONADHRC-FMKPAKJESA-N 425.555 0.639 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccn(C)c2)c1=O 772301871 FHMUUWKRNLLPIH-UHFFFAOYSA-N 438.484 0.862 30 20 ICED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(Br)nn3C)c2=O)cn1 782704279 JBGBQYUZJPIDDB-UHFFFAOYSA-N 430.291 0.638 30 20 ICED COc1nn(C)cc1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789609173 GWAMWXJYIJNQNX-PXLXIMEGSA-N 434.478 0.819 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1cc[nH]n1 789956288 FOLAYPJREJQNFY-LJQANCHMSA-N 428.405 0.387 30 20 ICED C=CCOC(=O)N1CCC(OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 790842053 BFCVIMMEEZTNCG-CYBMUJFWSA-N 439.490 0.783 30 20 ICED Cc1nn(CCS(C)(=O)=O)c(C)c1CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1 797936446 AZPSOYWMBJOPJW-UHFFFAOYSA-N 438.531 0.970 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)c1 800684380 QGQWXPCKFWRTKF-UHFFFAOYSA-N 434.539 0.985 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2=O)cc1 806684724 IOFFWMNZJLCCPC-ZWKOTPCHSA-N 426.473 0.972 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808040565 IJSMEKKOCDFXPC-SJLPKXTDSA-N 442.520 0.975 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812380455 MBCGHPKHBZXESL-HZPDHXFCSA-N 444.517 0.589 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816130320 HUWVQLABBSTHOT-VUKUWZNJSA-N 430.398 0.078 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(Cc2ncon2)C1 816568863 RZBITFVNZIQSFO-CQSZACIVSA-N 432.506 0.527 30 20 ICED C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918261181 SNOPSIPGMQQMTN-IHLBYEDJSA-N 432.506 0.839 30 20 ICED C=CCn1c(-c2ccco2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1121280020 RPHNOPXMZFPXSM-AWEZNQCLSA-N 441.535 0.363 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCN2CCCC2)C1 1302479144 KLXLYPXYCAFVIT-KRWDZBQOSA-N 437.570 0.447 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)N2CCOCC2)c1 1316531112 ZVIQOLZMJUJWCU-UHFFFAOYSA-N 437.504 0.767 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1511973820 VMJLGOMMSUUIBY-AWEZNQCLSA-N 433.476 0.637 30 20 ICED CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515120900 BSBBXQGBCVOBST-SFHVURJKSA-N 425.541 0.843 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1557249852 PCVWFZLQANOVQR-NSHDSACASA-N 432.424 0.642 30 20 ICED CC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1613085388 BOKDWXLTHRUPLP-DNVCBOLYSA-N 440.570 0.902 30 20 ICED CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711517724 XKSBFVDLXHVECW-RDJZCZTQSA-N 445.549 0.808 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771368232 HJIQZGDMVDGAPG-SFHVURJKSA-N 440.533 0.543 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740076 QBAHFZNCDUPNQD-VNFKXGFSSA-N 442.476 0.702 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778859744 MWNCJBLYTYNIFQ-MTXNFPGFSA-N 429.561 0.855 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1778998974 OSORNJQIVSOMAK-NRFANRHFSA-N 448.596 0.419 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c1 1779096145 NLLGESHEJYCEBI-FRGLQRNOSA-N 442.516 0.408 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1779318905 MXZRFVHAUPGYNJ-KNQAVFIVSA-N 428.489 0.461 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779444709 HMOIQFSDJYPGEP-RNVZNFDCSA-N 441.488 0.469 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)[C@H]1SC(=N)NC1=O 1780333904 AUCILLIRIGSIGH-SZEPBZDZSA-N 430.490 0.132 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)nn1C 1780433534 UXAHEZUZZYJSND-DOXZCSRISA-N 435.481 0.401 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781371977 PHORPZYUVRIXAL-JTSKRJEESA-N 436.472 0.499 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1COc3ccccc3O1)C2 1782009487 MXCRLNDVERREBL-ZDWFVDTJSA-N 442.468 0.818 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786357 ZWLTYPUURLYYOG-LPHOPBHVSA-N 438.506 0.541 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785724836 QYQZMWMFLGKJRX-YEWFCNIMSA-N 434.562 0.830 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cc(=O)cco1 1786284950 WNRDBOURSHMILJ-WLWTYTGRSA-N 433.461 0.762 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788737556 ANEZRHINQSSCMC-HLPXXCTFSA-N 434.537 0.129 30 20 ICED COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(OC)cc3C#N)[C@H]2C1 1789839649 SZVNGSPSWDKKLY-YYWHXJBOSA-N 445.516 0.752 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793319066 DXAIYRHOENUMTI-CWPLJXCYSA-N 437.493 0.264 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793822157 CCCHOWPTJFKTFC-FVCICTRLSA-N 429.498 0.944 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798499847 AVJDFUGFPATYLA-LKXIYZJDSA-N 425.482 0.769 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)c1 1799746057 JZMFOXQVVLLGEK-CCWDJLKJSA-N 430.436 0.743 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)Cn3ccncc3=O)c2c1 1801259835 XJQZOPXZGPXNSO-MUJYYYPQSA-N 431.456 0.943 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1807148625 VXAUXWBGQBQGOP-QFBILLFUSA-N 437.504 0.766 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1808465269 YZBXWDLCYIZDPU-VQIMIIECSA-N 432.477 0.953 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810357665 KANNIXBQZXGISE-CBCIAEPXSA-N 447.492 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811446222 ZFIOZNJZDIFCSR-GLPQSPQZSA-N 436.472 0.343 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@@H]1c1cccnc1 1812879585 BTSPMLDLXNXHLN-MLGOLLRUSA-N 427.335 0.281 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815244262 ZINXGKNTBUGFRY-DOMZBBRYSA-N 445.509 0.796 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819720631 IGLWRCSQKVNCHO-RISCZKNCSA-N 432.502 0.553 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803576 FJJQRRJUMZHUHP-SJORKVTESA-N 445.497 0.904 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196872 LBBGCGULRRCYLR-HPNSBFNSSA-N 433.513 0.822 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1828888127 ACDNWQNMOQVTEM-WOJBJXKFSA-N 439.597 0.466 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1829760132 UEMQBSAHTJQLBE-XQQSMPNESA-N 449.895 0.058 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1830707031 MZPUNUWANXJPKY-QSNWEANLSA-N 438.521 0.623 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1831393491 MPPNYYXYQSMMMP-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1831393638 ZFTZYXVZOMBWLB-UZUQRXQVSA-N 438.484 0.738 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1832285615 IHDFTAPCZAJMEK-QHCPKHFHSA-N 442.516 0.426 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(S(C)(=O)=O)cn4)CCO3)C2)C1 1833597156 UJPJYVHTXWYAAY-NRFANRHFSA-N 449.529 0.521 30 20 ICED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834570371 CITSQTFTLBSHAI-FYJGNVAPSA-N 438.550 0.315 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1)CCO2 1835044930 HXVQIZAKZGEVBX-YLNCNTMDSA-N 445.491 0.683 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835291619 XECBZZQTRSOAMR-LQBOVUBWSA-N 433.505 0.977 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835675213 XIFPECNRLQEHPI-WMZHIEFXSA-N 444.532 0.458 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376354 QPXHXQUMHPOXOO-UHFFFAOYSA-N 429.609 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836828524 OCNAXHSWBXCEBG-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837306283 ZALMGURAFQMGFZ-OFNKIYASSA-N 435.565 0.934 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1837394948 LYCKBAPREQSHPH-BTYIYWSLSA-N 438.500 0.511 30 20 ICED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1837492884 YOZIUXPLMSZJAH-QHCPKHFHSA-N 434.533 0.568 30 20 ICED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)C(=O)O 1837885424 WJLQSKVEMONEGE-OEBVFIGYSA-N 448.520 0.760 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352014 GZFHFTRQADYADO-GOSISDBHSA-N 426.420 0.767 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838507067 LPHJNRDECQOEKY-JLTOFOAXSA-N 445.501 0.195 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1838534091 GWJGGCYLCBTZKB-QHCPKHFHSA-N 436.468 0.641 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(-n5ccnc5)ccn4)CCO3)C2)CC1 1838794109 BGQUCFDAYXDKCF-QFIPXVFZSA-N 436.472 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C)CCO2 1838897133 SNIXEVHMWNSPOD-UFTUAFODSA-N 427.501 0.923 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839215855 OZJTYZURTWSMPB-PGRDOPGGSA-N 444.463 0.388 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n(C)n1 1839223381 UDSTYCDVVJSGMH-YWZLYKJASA-N 437.497 0.300 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1839224320 IDPANURWCRBEKX-IIBYNOLFSA-N 434.493 0.967 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361228 XXSJXRFDDKIDEL-OFNKIYASSA-N 442.516 0.737 30 20 ICED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420442 JHZKIXWQATYBSE-QFIPXVFZSA-N 446.479 0.540 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)CC)CCO3)C2)c(O)n1 1839828798 PYXYUGQFXKMZLT-JOCHJYFZSA-N 431.489 0.955 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1840277024 LVVXOZIIXBZWGE-HTAPYJJXSA-N 435.521 0.723 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CCO2 1840914733 NUUDKWRQDDHHQX-PNLZDCPESA-N 435.521 0.769 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844794835 SGFVCOFXXAQFHE-BEFAXECRSA-N 435.484 0.883 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796494 CWYNWLQDRQGCSD-HNNXBMFYSA-N 431.493 0.979 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H]1C 409499775 IBKQHQDAVGLTTR-FPCVCCKLSA-N 434.588 0.054 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCO1 409582937 BIVLZKJXBSMSAC-MRXNPFEDSA-N 427.958 0.911 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 440613602 FDIDVGPAENLGBA-SFTDATJTSA-N 445.589 0.200 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)n1 441722748 CWKRPGGQQQVCDU-RBUKOAKNSA-N 440.479 1.316 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCOC1 441968856 ZMNGSRAQDXBISA-QGZVFWFLSA-N 427.526 0.520 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCCN1CCC[C@H]1CO 460605518 HQGBAVPPKVKHQS-KRWDZBQOSA-N 425.493 0.739 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 460608405 KXPJBEJXFXJBHY-QGZVFWFLSA-N 425.493 0.955 30 20 ICED C[C@@H](C[S@@](C)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467196960 SGNIDVJWEDVXSS-KUNJGFBQSA-N 426.564 0.090 30 20 ICED COCCN1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1=O 471086142 LRERIXJAPZIHFJ-UHFFFAOYSA-N 425.449 0.093 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)N(C)C)c2C)CC1 472628336 IBWIPZIGZZQTGZ-UHFFFAOYSA-N 430.509 0.473 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 472649873 MPIUUMCHHSOGBY-ROUUACIJSA-N 448.524 0.873 30 20 ICED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 478740600 UNEZAYXXCUGUNT-QWHCGFSZSA-N 436.515 0.750 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 478862620 ARCOJJHWJVRTRY-UHFFFAOYSA-N 440.569 0.351 30 20 ICED CN(CC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 480042139 IAWSMTIQMGVRAW-LJQANCHMSA-N 433.490 0.015 30 20 ICED N#Cc1c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2c(c1C#N)CCCCCC2 480087721 IJVXUVKFACBHLQ-VQTJNVASSA-N 429.546 0.764 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 480137014 KGWZBPLAWZWVCF-HNNXBMFYSA-N 429.502 0.773 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1=O 481154745 MUYXOTUDLPXJRX-QGZVFWFLSA-N 444.517 0.707 30 20 ICED COCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 498181277 BALVDONNRPHSHY-UHFFFAOYSA-N 449.514 0.633 30 20 ICED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508999438 WROZMRAQMSPYMY-UHFFFAOYSA-N 433.557 0.363 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 513237931 HHASGYQFRWYYHE-UHFFFAOYSA-N 438.550 0.659 30 20 ICED COCCN(CC(=O)NCc1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 514096122 RVHIVAHMMCKESR-UHFFFAOYSA-N 428.493 0.828 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 521607075 VLXQKUOVJMWMKD-UHFFFAOYSA-N 443.895 0.784 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526038074 RIDSDZVTKXHVPW-LBPRGKRZSA-N 449.891 0.686 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CCC#N)C(C)C 526112585 FYLHNCINKOVFML-UHFFFAOYSA-N 438.506 0.805 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2OC(F)F)c(=O)n1CC(N)=O 532047956 UIGRQOFHRMAWCQ-UHFFFAOYSA-N 448.451 0.110 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 532605465 IZSIXUUYPSHGJT-ZDUSSCGKSA-N 444.473 0.814 30 20 ICED C=CCNC(=O)CNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 537488805 DHXXIESOTDPYTH-HNNXBMFYSA-N 445.545 0.963 30 20 ICED CC1CCC(NC(=O)CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)CC1 540349200 XAAUDQUFKKHDBZ-HRTMPFAESA-N 446.640 0.991 30 20 ICED COc1c(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1C(N)=O 542989430 PULMNAYOJVSYLF-KRWDZBQOSA-N 435.440 0.916 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 558922762 JGYFXCRCKWWMDT-UHFFFAOYSA-N 448.479 0.919 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 559772017 KGUKVWPCCXFVDO-KRWDZBQOSA-N 444.511 0.063 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 577242714 HEXQYPHWLVQCHM-MRXNPFEDSA-N 444.579 0.542 30 20 ICED CC(C)N1C(=O)CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C 587659403 NJEWFVQTNVZLNY-UHFFFAOYSA-N 426.521 0.896 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2ccnn2C)c1=O 676038488 LWWOJGZESHXTFK-UHFFFAOYSA-N 427.530 0.384 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 728531314 HFEHPFZFPFHSEZ-KRWDZBQOSA-N 448.470 0.786 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 729256946 NVKXMGRSFXWSMT-UHFFFAOYSA-N 434.562 0.614 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 729281952 TULSBFOCUXZDCR-UHFFFAOYSA-N 426.926 0.609 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C1=O 736041132 DQKFXAVZCZLENJ-UHFFFAOYSA-N 435.440 0.951 30 20 ICED C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 740737555 QNJAYQDQYWKODK-UHFFFAOYSA-N 446.573 0.757 30 20 ICED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 759243418 SXAJMFXSEAGEBT-TUXNIGETSA-N 441.440 0.862 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3cc(N(C)C)ccc32)CC1 761815802 JHELQAZOUMYICP-UHFFFAOYSA-N 443.533 0.852 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1O 762553895 CKVDCPMQUXZUBO-CQSZACIVSA-N 433.486 0.407 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 767683095 ZVSIYDSJMLNBAL-GFCCVEGCSA-N 443.437 0.982 30 20 ICED C[C@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O)C1CC1 768752270 WPWMYPLEXYQUHH-RTBURBONSA-N 434.449 0.559 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc(C)cc(C)c3)n(CC(N)=O)c2=O)cn1 772310561 APSFACYFPUAWAD-UHFFFAOYSA-N 433.493 0.695 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(c2cc(CC)ncn2)CC1)c1cc[nH]n1 772346932 SRCDLIWQRPAKAT-UHFFFAOYSA-N 429.481 0.831 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1cc[nH]n1 772655081 DWCBHJBZMGRTIZ-KRWDZBQOSA-N 427.461 0.919 30 20 ICED C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 775323407 DKJROMGXJMFFNE-MOPGFXCFSA-N 433.530 0.597 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 776594425 FZZUCOFWRDFYRW-UHFFFAOYSA-N 438.981 0.814 30 20 ICED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 784552786 GMWDWFQVHURPPX-UHFFFAOYSA-N 427.479 0.349 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(S(N)(=O)=O)CC1 785582043 XANFUIVSCGIIMJ-HNNXBMFYSA-N 442.563 0.419 30 20 ICED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 786549724 SEHFXHMIBWOOTG-CVEARBPZSA-N 430.486 0.486 30 20 ICED N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 786563307 UKEUZDCAQRBKPE-OAHLLOKOSA-N 435.408 0.863 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 794609119 OLHBNMMDEDTHDT-CQSZACIVSA-N 429.546 0.894 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 808240833 OSVOYQSWFVYBFB-ZWKOTPCHSA-N 426.473 0.387 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)c1 808955204 DPEWUGYOQWABNJ-INIZCTEOSA-N 438.488 0.894 30 20 ICED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O[C@H](C)C(=O)N(C)CCC#N 811678944 JLXWCYXWMRRCDN-ZIAGYGMSSA-N 438.506 0.359 30 20 ICED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 812078710 KZTXMWVMHSIKQC-HNNXBMFYSA-N 425.497 0.537 30 20 ICED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 813563101 GRZXIKQDFLFUMY-IIPGQWPSSA-N 441.517 0.877 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249836 ZCTAYAGDKVQWSB-GFCCVEGCSA-N 439.488 0.436 30 20 ICED Cc1nnsc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815732709 VGDRIPPTZPVOMR-QNGOZBTKSA-N 436.519 0.914 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 820023257 LXZQMKJWHSQDKC-OAHLLOKOSA-N 444.513 0.837 30 20 ICED C#CCOC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916600835 LWWQMSUVXRGJPP-KRWDZBQOSA-N 440.543 0.735 30 20 ICED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 918760737 YXTBDXSWTWKMRB-UHFFFAOYSA-N 425.445 0.700 30 20 ICED C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N(C)CCC#N 919647655 KSYOJZCLNXENEO-DZGCQCFKSA-N 449.485 0.927 30 20 ICED C[C@H](C#N)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 920448557 IGDDOCJYHKEZRE-QHXWSXNTSA-N 427.548 0.998 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N(C)C 1303722304 MZBFUEAMIGLPPS-NVXWUHKLSA-N 439.586 0.691 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)N(C)C 1303722306 MZBFUEAMIGLPPS-WBVHZDCISA-N 439.586 0.691 30 20 ICED CN(C)c1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1503393575 YHVUWZRXBQFSMC-LSDHHAIUSA-N 431.522 0.418 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCOCC1 1510216633 CIRSAHFGQDTXMF-RHSMWYFYSA-N 437.570 0.491 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C1 1519532145 WXZAHMWJMXYTCD-KRWDZBQOSA-N 449.581 0.812 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1619912797 MLDVXDXDMARUGO-MAUKXSAKSA-N 427.527 0.436 30 20 ICED COc1ccc([C@H]2[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC(=O)N2C)cc1 1646148935 XOLFBKXWODUUKN-AEFFLSMTSA-N 425.445 0.555 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1692843476 IVIJQNAOYSEPSF-OAQYLSRUSA-N 438.492 0.914 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1711398066 MDLSMDXNSQRSHT-UHFFFAOYSA-N 445.549 0.718 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CCO1 1771537362 MYNUKXKASYCQBU-HZPDHXFCSA-N 436.538 0.312 30 20 ICED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)CC1 1771538343 KMTSKHQPRUAQOW-UHFFFAOYSA-N 429.525 0.779 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779053640 ALVKPDIQRDNLTI-KKSFZXQISA-N 429.525 0.389 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1779061023 NCOYKPAPCQYXLE-PKOBYXMFSA-N 432.439 0.828 30 20 ICED O=C(/C=C/c1cnccn1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105463 KRLFAJVZHVLFNA-ZIAURCNTSA-N 429.477 0.849 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175313 XBSZEQVMJLNWQV-JNAXZKDPSA-N 436.534 0.695 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)OC)C2 1780740928 AOQRYKJYWWWFQX-FOIQADDNSA-N 425.482 0.366 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950566 VOERMMAOFZITSK-XOBIUNJKSA-N 439.520 0.573 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)ccc1F 1781302751 WUMKYVZFTLZFGV-JOCHJYFZSA-N 439.447 0.939 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1781395865 LIEAOQJRBHALSM-NQIIRXRSSA-N 435.569 0.397 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1)C(F)(F)F 1781542636 QTCQMRNVGIBWPD-SJKOYZFVSA-N 435.399 0.162 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860609 IQJRSZBRQFVAFM-FZKQIMNGSA-N 433.452 0.871 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C(\C)NC(C)=O)C3)C2)c(C#N)c1 1782629978 UEKISERWNXTJRJ-PVBBERPISA-N 440.500 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1782648660 FZVXIMQKRILFSS-FJIKSPBJSA-N 426.517 0.949 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565642 OEHMIUMFUDAQOA-ZHRRBRCNSA-N 449.504 0.764 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1784504136 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CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1793533368 BRWBHCVBSSCTQZ-IUBBNIOJSA-N 444.554 0.481 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1 1795289126 OBSAKDFZLZGGGS-RZUKHUMYSA-N 439.512 0.757 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1 1796597764 MZBYOPVJOGEFCP-CXMDPZGFSA-N 443.460 0.360 30 20 ICED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1 1798370143 ADUVRESLDNVWAT-ZIFADMAISA-N 433.465 0.217 30 20 ICED CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2(O)CCCCC2)CC1 1798468198 UXTCCDNMEYOXRI-WKCHPHFGSA-N 430.593 0.961 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(OC)nn2C)C3)c1 1798573771 MFOSWCGUAZDITK-CWPLJXCYSA-N 439.472 0.826 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807603759 WONXWWMQNGGRNW-XLIONFOSSA-N 426.477 0.889 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1808852647 LNPYTBFDVKKTIS-WQZMEWCLSA-N 447.536 0.539 30 20 ICED C=C(C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1)C(F)(F)F 1810493889 ZDNFHBHKIHYVMG-UHFFFAOYSA-N 439.398 0.776 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713883 QRXNBODYPIVDAI-GHTZIAJQSA-N 436.578 0.293 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)S)[C@H]1c1cccnc1 1813035370 IDHNHZUBFGTGML-OCVGTWLNSA-N 428.580 0.734 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1813039443 KXELZCIGCNYMOQ-JDFRZJQESA-N 428.518 0.659 30 20 ICED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1813223844 VGVDZFQBFQCMGW-ABSDTBQOSA-N 425.489 0.879 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817247666 MYORQILWBMVEED-OZMNXJMBSA-N 432.529 0.466 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819674575 JGRSGBKALUEZEP-LBPRGKRZSA-N 438.469 0.882 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458896 LRXSHWGLIJCYCM-JOCHJYFZSA-N 438.488 0.688 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831228824 MIZRPANCJWDVRI-VGOFRKELSA-N 429.473 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1831394047 SZVJTLPRTVYYMC-RFWXGWTQSA-N 429.517 0.224 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831475944 SDLXPVMUDZJBLB-IQTGRTGDSA-N 434.493 0.070 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832590048 CRZFSBGTHSUCJQ-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=O)c3ccco3)CC2)CC1 1833073981 VRGLFNBGPIQYBB-WAYWQWQTSA-N 442.516 0.892 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cn1 1833435061 QFCBJOFREPWRBN-KKSFZXQISA-N 449.508 0.746 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3)CC2)CC1 1834140143 IEJXKRBVKXOMQZ-UHFFFAOYSA-N 427.553 0.944 30 20 ICED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc2ccccn12 1835311013 QVNOALCDLYOFKN-UHFFFAOYSA-N 437.500 0.916 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883826 FZVNJSDMYNQSCG-OXJNMPFZSA-N 433.534 0.754 30 20 ICED Cc1cccc2[nH]c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc12 1836920027 WXMHPXBBEDXGEP-JOCHJYFZSA-N 425.441 0.634 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147524 PHLOCNHNHIMPNY-WAIKUNEKSA-N 443.500 0.591 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316038 UISSNDXXWXRCOH-BBRMVZONSA-N 442.456 0.503 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837396332 BCQMBHQRPAQOMD-PGRDOPGGSA-N 435.496 0.793 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489524 LFHVRXWOVMXXQR-BMOUEYTDSA-N 448.516 0.261 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524787 MVEKEXYYYCHKJC-RETMYHCQSA-N 449.508 0.502 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525801 ZJDHCYIGTZEMPX-CFFCXZSUSA-N 435.481 0.019 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837674258 COLROXGGVMUIJC-IPIYSKPDSA-N 448.520 0.460 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837794965 KRHUQPSYBYRJPW-IBGZPJMESA-N 437.493 0.784 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837872109 KGMODBUAAJFISK-MRXNPFEDSA-N 428.489 0.969 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824986 CSONDGQCRQJSNN-QAPCUYQASA-N 426.495 0.947 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838907033 UZODMGXEKFNMCI-HSZRJFAPSA-N 446.467 0.985 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c(Cl)c1 1839424443 JXBACWHKUYTPEK-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839887754 OZYDZLLCQZCMEQ-OAHLLOKOSA-N 426.363 0.764 30 20 ICED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043857 XZAJMRMQZXTFAJ-HXUWFJFHSA-N 449.391 0.200 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(Cc1ccccc1)C(=O)OC)CCO2 1840084248 YXNKYEWRCACCFI-JOCHJYFZSA-N 429.473 0.345 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2c1 1840160271 CUYMSOZRUXNPPO-QVKFZJNVSA-N 446.529 0.391 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274883 JAUAYKQTGPWALK-WXYWCZPYSA-N 436.553 0.466 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1840442175 SZMRESSLQHDSLH-AUSIDOKSSA-N 444.532 0.599 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838102 QOWGUITZWBYTJE-HNNXBMFYSA-N 428.555 0.662 30 20 ICED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)cc1 1844928245 FUSJJRXTOGPNAS-UHFFFAOYSA-N 425.470 0.841 30 20 ICED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 110064195 DHOPZYJALGXSHI-UHFFFAOYSA-N 438.550 0.911 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 427723576 YZSRIGZULOKGRO-MRXNPFEDSA-N 429.564 0.342 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428267152 NDVSPXLAZNPBBY-UHFFFAOYSA-N 426.442 0.930 30 20 ICED COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1 438240876 VVMHGCURVBETMF-UHFFFAOYSA-N 449.489 0.956 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCOC1 441945485 HBOSBIPZNOWJLC-KRWDZBQOSA-N 441.553 0.911 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)c1 446928747 HJMXDUIHFQYAOO-UHFFFAOYSA-N 429.545 0.921 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC(c3ccnn3CCO)CC2)cn1 460613249 KBHBNKBGAQNNHH-UHFFFAOYSA-N 434.460 0.672 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 475194674 YUJALMSBRDJCRW-HZPDHXFCSA-N 438.488 0.988 30 20 ICED CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 479142897 REOKLESTBCHGRY-UHFFFAOYSA-N 439.519 0.905 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CC(C)C 480924496 GQIFDGDDVRNFGB-UHFFFAOYSA-N 433.530 0.961 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 482844081 ZCASCTVRCXTPEC-XKQJLSEDSA-N 425.532 0.793 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)nn1CCC#N 504854220 UVCKSZFPZCBIGA-UHFFFAOYSA-N 441.467 0.966 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1 509412642 AXMHJZONZNBOIY-AWEZNQCLSA-N 446.551 0.489 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC(C)(C)C#N 510636537 CAFUXQZUAVKRBZ-UHFFFAOYSA-N 438.506 0.711 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H]2CS(N)(=O)=O)CC1 512261259 OKBRAZGDVOXRTO-CQSZACIVSA-N 448.505 0.208 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)o1 530381601 ISAONLFUIKQAHT-UHFFFAOYSA-N 428.493 0.364 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532108565 PJBSSLIPQVPVLV-UHFFFAOYSA-N 449.536 0.914 30 20 ICED CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 543753090 XPUCYGMWTGGVLW-UHFFFAOYSA-N 425.559 0.888 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)CC1 549831559 ZLORPIFLLKXXPF-LEWJYISDSA-N 441.511 0.955 30 20 ICED C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 550592362 XJOPIBUJRKZFKL-MAUKXSAKSA-N 434.518 0.388 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550649947 KRBWSYWNAPRNBX-UHFFFAOYSA-N 436.310 0.928 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCC1 554433170 VEXUGCZCFYERJP-IBGZPJMESA-N 425.533 0.988 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 555916287 LWACAHICYXUYGK-UHFFFAOYSA-N 438.463 0.596 30 20 ICED CC(C)OCCN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 561761431 ZPHYYLYMHJKSAG-UHFFFAOYSA-N 428.537 0.607 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)ncn1 562163937 KNMKSAZMSBOLCV-LJQANCHMSA-N 448.531 0.739 30 20 ICED CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 570026658 NOXPACJLEKPYKW-UHFFFAOYSA-N 431.522 0.819 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 580369765 CZKACPKBCSMKJY-IBGZPJMESA-N 447.499 0.699 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 585681543 BQFXULRBGALIGP-UHFFFAOYSA-N 440.460 0.584 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 604169296 YWRRNHOJTADDMW-UHFFFAOYSA-N 427.486 0.953 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 608828068 DTAJJMAQQHTOBE-UHFFFAOYSA-N 434.477 0.681 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cscn3)c2=O)cn1 608883949 FAUWGRYOBDYYPD-UHFFFAOYSA-N 439.522 0.885 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 608888314 HPARYNJOGGINGX-UHFFFAOYSA-N 430.461 0.960 30 20 ICED N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCO1 609268738 YROIGWCPVYLMCR-INIZCTEOSA-N 435.502 1.000 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)cc1 675518573 ZRAWMRBECMIZII-UHFFFAOYSA-N 443.547 0.467 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1COCCN1C1CCCC1)[C@@H]1COCCN1C1CCCC1 684475060 QLJAVEYDUQXFDU-VXKWHMMOSA-N 446.592 0.509 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726200510 KQOAFAZYKARAHG-LBPRGKRZSA-N 441.510 0.073 30 20 ICED C#CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 728571200 YDOQOFJHSFGVLA-UHFFFAOYSA-N 428.518 0.666 30 20 ICED Cc1ccc(OCC(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732467415 UZUGYSPLWRQCIG-MRCUWXFGSA-N 441.488 0.754 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCNS(=O)(=O)CC 747900720 DZOREJHODQJWIU-HNNXBMFYSA-N 444.579 0.730 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)ccc2F)c1=O 758056958 YVBYKCVUFGXADA-LBPRGKRZSA-N 433.892 0.990 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CC(OCC)C2)c1 768075291 BKKCRYVTGZHUCM-UHFFFAOYSA-N 435.546 0.598 30 20 ICED NS(=O)(=O)c1ccc(O)c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 777443588 BCLHVYQHXPSOPN-UHFFFAOYSA-N 438.487 0.497 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782792585 IXROGOSHCJLGRJ-UHFFFAOYSA-N 441.484 0.443 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2nnn(C)n2)cn1 783005517 DDPYOGDWXJCXQF-AWEZNQCLSA-N 448.557 0.016 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2nnn(C)n2)C1=O 783031306 VMQKFTTWTYWJNP-APFMSCDFSA-N 430.538 0.673 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 783479738 NKVGWAACZVFKCR-APWZRJJASA-N 433.530 0.667 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cc1 784560710 PQAWEPJVXPZMNG-UHFFFAOYSA-N 436.472 0.492 30 20 ICED CCN=c1nc(NCC)n2c(SCC(=O)NCc3ccc(C(=O)NO)cc3)n[nH]c2n1 791276693 ITRQRLOYAPAGJA-UHFFFAOYSA-N 445.509 0.332 30 20 ICED C=C(Br)CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793828996 NDICSMRSAZYWGL-UHFFFAOYSA-N 433.303 0.207 30 20 ICED CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCC1 796579883 JSIVTNMUDMHUHF-UHFFFAOYSA-N 447.561 0.382 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)[C@H]1CCCO1 809304127 FMKKYEOCCWYWMT-ZWKOTPCHSA-N 433.530 0.433 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[C@H]1CCCO1 809313059 QHWSPXLJKYGXCT-UYAOXDASSA-N 426.517 0.629 30 20 ICED CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(C#N)cc(N(C)C)c2)c(=O)n(C)c1=O 814573355 YXVZZNNDUREIEI-UHFFFAOYSA-N 427.461 0.763 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 843499422 GUHXUQMKZFBVCK-UHFFFAOYSA-N 448.526 0.676 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856697656 YTPSPTPQEWTTST-IBGZPJMESA-N 433.490 0.378 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1)c1cc[nH]n1 856710876 OBGSDUARJONFKI-LJQANCHMSA-N 434.453 0.235 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)c1 917769177 UZFPKXWSZLCANG-UHFFFAOYSA-N 443.525 0.363 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(Cc2ccco2)CC1 919034369 QECNKZGVOKRFTF-UHFFFAOYSA-N 446.485 0.317 30 20 ICED C[C@@H](OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1)C(=O)N(C)CCC#N 920653898 XCFHVUMFXXUYHX-BXUZGUMPSA-N 426.267 0.844 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 1116477833 NCNIYYGGWDALOM-LSDHHAIUSA-N 440.595 0.502 30 20 ICED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F 1191256031 OOSRBYNATSBBFC-OAHLLOKOSA-N 432.495 0.968 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1 1221722507 YWUOIHVLXVUOJG-QHCPKHFHSA-N 443.548 0.832 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1319824438 BWQHSSVKCUDLOZ-YJBOKZPZSA-N 426.516 0.064 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC#CCO 1325083328 HNPKZNISSDCEHN-AWEZNQCLSA-N 431.308 0.094 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC(N)=O)CC1 1330108161 KYFZHQAVMLXROY-INIZCTEOSA-N 436.534 0.633 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453949852 MFBSFMPBTAZGJX-LIRRHRJNSA-N 431.518 0.931 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502682304 YMJBQYRQANPCLR-ZWKOTPCHSA-N 444.533 0.700 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CCOCC3)c2)CC1 1637326809 OIMMNVRSKFKRIT-UHFFFAOYSA-N 434.518 0.590 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@H](CS(N)(=O)=O)C1)CCCC2 1655770967 UMVFUKOSPGWSKL-HOTGVXAUSA-N 449.577 0.966 30 20 ICED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)OC 1697758314 ZCYDHAKAAUAQNE-SFHVURJKSA-N 428.493 0.773 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC(=O)N1C 1752389077 VBZPFSDUIGXMSP-ZDUSSCGKSA-N 447.446 0.777 30 20 ICED COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1771113190 MEQBDIWWZVFNIR-IBGZPJMESA-N 434.522 0.180 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778180879 JTVFMCHDFBVGLD-HOYKHHGWSA-N 439.512 0.901 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779067706 YLCKHGUODUILTF-HXUWFJFHSA-N 433.534 0.425 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1781149840 LNEPGYUMASEVCE-YCRNBWNJSA-N 441.532 0.587 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1781271503 CKWZLLCRPCCDFY-WMZHIEFXSA-N 430.501 0.929 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1782010234 DHEWBPYLZZIKQN-RDTXWAMCSA-N 440.378 0.711 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(I)cnn1C)CCO2 1783050626 YDWFNUWZCGZVJZ-HNNXBMFYSA-N 428.230 0.101 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnncc4C(=O)O)C[C@@H]32)cc1 1783605008 CBNJUQOSNLCZEF-VDGAXYAQSA-N 449.467 0.882 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784012601 ZAHASSGKNXCXGP-YADHBBJMSA-N 435.521 0.602 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1784495258 FUCLZBUKAKOSSG-OKYOBFRVSA-N 425.526 0.100 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1784597946 HPZWSUWHYRYKPH-XOBRGWDASA-N 425.449 0.258 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784983577 WFRXMRMNABIWSU-ZOBUZTSGSA-N 434.493 0.084 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n(C)n1 1785614990 OOHYFQUAJHQDJB-PPYUBFJKSA-N 449.508 0.551 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c1 1786803402 NPZOQEBVSFDCKD-SSRYDLFMSA-N 441.532 0.500 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788573351 SYVVCMKDHPQUSJ-DKIMLUQUSA-N 430.505 0.573 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)n4cnnn4)C[C@@H]32)c1 1789259351 LKLNGGUJLQLRET-BMIPRAEKSA-N 439.476 0.408 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791556019 LAUZATGYZFYQMC-KKUMJFAQSA-N 435.554 0.158 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)c(O)n1 1794492010 PJOKTMIFKXTSJQ-ZSBFGKGUSA-N 439.472 0.918 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1795274888 ZXNGHGDZLOFDMN-JHDGKUDLSA-N 432.480 0.453 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415941 MZQDONWUDKANKL-LJGDNWOOSA-N 426.560 0.541 30 20 ICED N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccn1 1795611457 FFWXAINKRIIUEH-GFDJJBKPSA-N 431.493 0.200 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)cc1 1796396944 SGJZZKCYKYHYRS-KGSLCBSSSA-N 433.512 0.655 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797793494 PLQFOEZGOZYZKB-FZKCQIBNSA-N 432.420 0.282 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1797811379 MATKOPPPRRADLU-ZUSSLCPFSA-N 448.476 0.128 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=C2c3ccccc3C(=O)N2CC1 1798448146 MLEUKFBKHCRBGK-PZTGFMGMSA-N 449.507 0.885 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1799395190 KAOFJAMGRZMREL-DFYYWFRZSA-N 428.493 0.662 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCSC)c(C#N)c1 1801028702 BQCNFQKMZOTOBV-SHJAMOMRSA-N 447.557 0.813 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806865981 NVMJANKNDBMRRN-VPWXQRGCSA-N 435.488 1.000 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806922191 MDAGURJRRRSNAV-VQLQEPDVSA-N 439.516 0.568 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1807145635 OQJPFPDATBQKSF-YQVWRLOYSA-N 426.521 0.648 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c(C(F)(F)F)n1 1807831415 HIUTWSOCWFWFRB-SWLSCSKDSA-N 449.389 0.997 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810150301 FJFQAZFRRUDRSU-TXPKVOOTSA-N 441.536 0.994 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@H](CNC(=O)C#CC(=O)O)[C@H]3c3cccnc3)cnn2c1 1812879615 CJMCZKWNNRWKLI-OXQOHEQNSA-N 432.440 0.840 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668455 FSOQNSRWPTYURE-NXEZZACHSA-N 444.477 0.086 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819446367 OOOUVEJKJOJEBN-TXPKVOOTSA-N 435.525 0.626 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530090 VEWPBTYZRLCIBB-LSDHHAIUSA-N 429.477 0.900 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)CC2)c1 1824972494 WCFQJOYOORMIDW-QGZVFWFLSA-N 426.477 0.671 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)CC3)CCC1 1828009263 LRPFDLVYZKIRNT-SNVBAGLBSA-N 438.473 0.794 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1830047504 YTVNFDGLPURFEZ-NRFANRHFSA-N 447.467 0.039 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458790 GXLDRDQTZSBCJG-REWPJTCUSA-N 428.533 0.945 30 20 ICED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830490717 WGHSCZGAJNSSJN-QFIPXVFZSA-N 431.489 0.820 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C 1830950185 VMKAQYYTPNNUCD-QFIPXVFZSA-N 446.552 0.009 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)NCc1ccco1 1831216433 QBKSTSDELCMHSK-DRGXBFSJSA-N 441.484 0.322 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncc(C)c3)C2)C1 1831387186 LVIPNORQHYICNN-CVDCTZTESA-N 429.517 0.817 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnco2)CCO3)ccc1F 1831935650 OWMPPFWXTUCLME-NRFANRHFSA-N 428.420 0.998 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1Cl)CCO2 1832280696 PHYBFUNUIQAWPW-FQEVSTJZSA-N 438.839 0.566 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(C)s1)CCO2 1833797325 ZOROVYUUFRXGKS-BBIZLLLXSA-N 434.518 0.380 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1834760082 GLTIMCHUIUTDIN-HNNXBMFYSA-N 429.296 0.889 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5c(c4)OCO5)CCO3)C2)CC1 1835166618 UUCFHPRXIGUFID-QFIPXVFZSA-N 427.457 0.718 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1837392640 GHWWBWVYFYNPES-XMSQKQJNSA-N 435.521 0.863 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1837686277 FJNJZDRIJJJQNW-BSRJHKFKSA-N 447.532 0.439 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952745 HIAUPEMJSQXLEC-HSZRJFAPSA-N 436.468 0.850 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047520 SOFCIBBRPAATJB-TZIWHRDSSA-N 447.561 0.683 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839165561 OHXKVTCKJNPCIV-HYFFOGBASA-N 428.489 0.518 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839226551 AIWPGZLJONSQRT-IERDGZPVSA-N 434.493 0.967 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839419591 JZJPMEHIFNAFMB-JOCHJYFZSA-N 441.463 0.973 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1839419755 TYOMVEKPILMAKF-NRFANRHFSA-N 443.435 0.702 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422821 OQQJTMVTFZPTFI-QKKBWIMNSA-N 448.907 0.793 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3ccccc3)CCO2)C1 1839949369 AIAMUBRWAMLVNL-SELNLUPBSA-N 430.501 0.949 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840160236 CHTLRIIXSUVVQS-XCLFUZPHSA-N 434.518 0.444 30 20 ICED COc1c(Cl)cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840740491 FJEDLARCEWGLIC-FQEVSTJZSA-N 436.848 0.507 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1845188688 UZEGTHJWJGRKSS-UHFFFAOYSA-N 427.461 0.657 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449190 YULNPBYPCXVHJV-HOTGVXAUSA-N 449.552 0.348 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1847088935 CGYWCSWYKYBUEB-AWEZNQCLSA-N 433.509 0.652 30 20 ICED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 60638244 FJRSFJQINHGMCV-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 434087719 RPQUUGYJKCSYCW-INIZCTEOSA-N 428.536 0.421 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C 436624933 MZBIFHYDRYZBNV-LBPRGKRZSA-N 429.462 1.358 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)C1=O 440277559 CPJBSMDIKGWPEX-KRWDZBQOSA-N 436.534 0.949 30 20 ICED CC(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)N1CCOCC1 441435313 MRUKQNGPZMCEGG-SFHVURJKSA-N 442.451 0.821 30 20 ICED CCN(C(=O)CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 443404739 HCSXYKYDXYKBMP-MRXNPFEDSA-N 443.547 0.231 30 20 ICED CCCc1c(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cnn1-c1cccc(C#N)c1 443751638 TYZWFDRJCJINPO-UHFFFAOYSA-N 446.471 0.971 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 444474573 IHWPXXQOAXOAJN-ZWKOTPCHSA-N 435.502 0.484 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 461770545 WTYVHBNNFJBAJH-ZDUSSCGKSA-N 435.893 1.371 30 20 ICED CNS(=O)(=O)NC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 463209006 HPRZSMDFNDLMAA-UHFFFAOYSA-N 432.468 0.691 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 464856480 NHDLULPSUIQLGU-HNNXBMFYSA-N 425.468 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(N)(=O)=O)s1 479850933 WKJIPIHQVOLKAK-JTQLQIEISA-N 428.517 0.250 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 480810051 DKGZVSKMYMWAKH-CYBMUJFWSA-N 428.474 0.195 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)cn1 491106178 OYZPIASAWBYWHL-KRWDZBQOSA-N 433.476 0.655 30 20 ICED COCCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 507174887 DECNKLFZRXOVSA-UHFFFAOYSA-N 430.440 0.193 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508803566 XYCAEPCGXPALSY-OAHLLOKOSA-N 427.575 0.065 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 508915429 XJTSBXUQWZKLJE-HNNXBMFYSA-N 434.522 0.991 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 517886043 QKCCJLINCJJFNG-IRXDYDNUSA-N 442.559 0.959 30 20 ICED CC(C)OC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 517995762 BQAIGHFZQDKXNK-MOPGFXCFSA-N 428.489 0.428 30 20 ICED C[C@@H](CN1CCN(C)CC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521667556 PSKPAKGWQNIORE-KRWDZBQOSA-N 433.578 0.711 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1=O 523414901 RBQSIDSLBSWAHG-UHFFFAOYSA-N 440.460 0.056 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 530604172 ZUMJFVFJIZQTFZ-UHFFFAOYSA-N 430.490 0.508 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 531546735 VMLGQIDHBWBDSO-GFCCVEGCSA-N 446.471 0.924 30 20 ICED Cn1c(=O)c2nc(CN3CCN(c4c(C#N)cnc5ccccc45)CC3)[nH]c2n(C)c1=O 538967597 KYJVYJLMDXMARV-UHFFFAOYSA-N 430.472 0.702 30 20 ICED C=CCn1c(Cc2noc(-c3cccc(CS(N)(=O)=O)c3)n2)nnc1N1CCOCC1 545640854 RAMUAVLIUJKZOE-UHFFFAOYSA-N 445.505 0.730 30 20 ICED C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549644960 GVCFROUSZJVNNZ-UHFFFAOYSA-N 437.508 0.789 30 20 ICED COc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1OC 550579364 IUSYURMTZYXPNU-UHFFFAOYSA-N 430.465 0.597 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CCN1Cc1ccccc1 550926873 RCFWPRRKVAAZAW-OAQYLSRUSA-N 448.527 0.771 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 552006454 GTWQOAGXUQOMOX-UHFFFAOYSA-N 429.546 0.550 30 20 ICED CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 568909204 VBTCNOXUICFSJJ-MOPGFXCFSA-N 425.489 0.150 30 20 ICED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587648591 ZFVWHVODZPWIJL-UHFFFAOYSA-N 441.536 0.691 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cn1 588866345 OYWNPOFAUDRPBU-HXUWFJFHSA-N 449.515 0.248 30 20 ICED CN(C)c1nccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 589428359 MJZKLKKKMOKEEP-UHFFFAOYSA-N 429.506 0.041 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(F)c2)c1=O 603792809 FGYFXRNRMTUMAF-UHFFFAOYSA-N 426.517 0.902 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCc2c(C)nc(O)c(C#N)c2C)c1 609186258 XFPHLOPZUIJPKX-UHFFFAOYSA-N 445.501 0.871 30 20 ICED N#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 609335983 NEKQWXHJHAIDOM-UHFFFAOYSA-N 435.550 0.636 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610684530 VHGZYGHGEQJHDK-LAPQFRIASA-N 426.481 0.289 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cn1 613102487 XHPDOYHVXLTFIO-HNNXBMFYSA-N 444.455 0.571 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CC1 615380230 HXVQQSWQMZLCME-QGZVFWFLSA-N 440.548 0.986 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618895085 RWCKOQRATIBVJJ-CHWSQXEVSA-N 432.481 0.712 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727160385 COLQVDHFDPCPBQ-UHFFFAOYSA-N 429.546 0.855 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccc(OC)cc3)c2=O)cn1 732561572 PZKFFHJMPGZXFE-UHFFFAOYSA-N 449.536 0.965 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 734040818 SSPRUQIOTRNORE-AWEZNQCLSA-N 442.453 0.740 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735849513 KOZSQXOZDPQRDW-HNENSFHCSA-N 435.525 0.962 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 735858172 XGWUMNHEVRMLGU-DQRAZIAOSA-N 425.489 0.364 30 20 ICED C[C@@H](CC(=O)N1CCN(Cc2cnn(C)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742642777 LHGKIAMGAPTFPA-HNNXBMFYSA-N 430.534 0.582 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742665673 GFKHILDZIZLDEJ-HZPDHXFCSA-N 433.578 0.788 30 20 ICED COc1cc(NC(=O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 752421533 VKTKYUDJFAQFHM-UHFFFAOYSA-N 432.458 0.497 30 20 ICED O=C(O)Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc2)nn1 759077470 YTJPCPJNYOKSCU-YXMGTMDOSA-N 448.457 0.887 30 20 ICED NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761212999 RVVGLCXIFVVSDB-UHFFFAOYSA-N 428.422 0.547 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC1CCCCC1 769776748 CYVYVRPKZFDKKK-ZDUSSCGKSA-N 436.490 0.927 30 20 ICED COc1cc(OC)c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl 771892910 WBERWLHLBPLXPT-UHFFFAOYSA-N 430.870 0.457 30 20 ICED CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 772647335 JGAHHCQOOLJWLH-KGLIPLIRSA-N 445.563 0.695 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 777860338 MMSZWXMOOHLHAX-IESBNPPRSA-N 449.467 0.771 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCOC 782243993 ADFAYLSPWLPFLM-UHFFFAOYSA-N 436.515 0.945 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)c1 785049214 SYQRHBWWYRTIED-QKIXXSFTSA-N 437.522 0.454 30 20 ICED C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)C[C@@H](C)O1 787199796 SJECKDOTKCNMJC-IYBDPMFKSA-N 437.504 0.806 30 20 ICED COc1cncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 791697768 JQCNDYWNUZBJAV-UHFFFAOYSA-N 445.457 0.047 30 20 ICED C=CCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800778989 JZMBMKKPLDXOLT-GJZGRUSLSA-N 431.584 0.617 30 20 ICED COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 807135251 IOOYCPCNHNJVAO-SFHVURJKSA-N 436.472 0.407 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 808240831 OSVOYQSWFVYBFB-ROUUACIJSA-N 426.473 0.387 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 813980366 CFKNLDCHBOIDBL-GOSISDBHSA-N 439.453 0.234 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 916200163 WIBNYMGWZAPTJD-UHFFFAOYSA-N 443.525 0.699 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C#N)c1=O 1162098967 JXSZDBPYWQZVOP-UHFFFAOYSA-N 444.300 0.763 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1286857357 QRTIDOBSBJOOBX-LZWOXQAQSA-N 425.559 0.885 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1288726880 WQYOVMNJZDTEIY-QRWLVFNGSA-N 432.550 0.753 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1300850123 WREHROSZBLEKBL-LLVKDONJSA-N 439.357 0.324 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(=O)N(C)C 1303849329 MDKVAIKVPADDJH-KDOFPFPSSA-N 425.559 0.887 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1305252390 SQEAYRMKJVIZPD-QVKFZJNVSA-N 426.477 0.547 30 20 ICED CO[C@@H]1COCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315736998 XMMGEFAHVBHWEM-CWRNSKLLSA-N 426.543 0.680 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360485416 IXAZKKNJQWWENC-GDBMZVCRSA-N 445.549 0.798 30 20 ICED N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1F 1441801594 UYIAQDZCZKKWSK-GFCCVEGCSA-N 433.458 0.111 30 20 ICED C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1545148152 IUWOGUSXUYYVMX-ZWWNWMABSA-N 440.504 0.970 30 20 ICED N#Cc1cn(CCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(=O)nc1O 1618332178 UYJLTNLJUGSRET-CQSZACIVSA-N 446.261 0.895 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1625300363 RJQCZBACOFRXQK-HNNXBMFYSA-N 429.502 0.874 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccccc1S(C)(=O)=O 1634162451 OQQWPFYVJUJWQN-CQSZACIVSA-N 435.527 0.987 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1711420731 XCAQBVIBRZXIFR-MRXNPFEDSA-N 441.521 0.836 30 20 ICED CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745896237 YNYZKDNBBAPWSQ-SFHVURJKSA-N 425.541 0.795 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1765672941 SFNHENPLHCBOFJ-INIZCTEOSA-N 441.521 0.512 30 20 ICED CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766232444 SXPVKFLBTBMYQR-DOTOQJQBSA-N 449.581 0.273 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1766682557 QBUOSQYXPAKGAT-QGZVFWFLSA-N 443.533 0.807 30 20 ICED N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccccn1 1779104626 NBKMCIZPJOJKER-QFNRCDELSA-N 431.493 0.440 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780752925 DRBCXICNLLCDKF-XMSQKQJNSA-N 430.480 0.842 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)c1 1782060852 LDSGVJDHPVNYMS-YADHBBJMSA-N 429.473 0.926 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318373 GTCAEGJMKKHJMI-NGPKUFNOSA-N 431.493 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IDWIFHUMCXDULS-GOSISDBHSA-N 446.378 0.992 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1840011330 YDESPFWFAMDLNI-HSZRJFAPSA-N 447.532 0.723 30 20 ICED CSc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044221 RCLDBPNUMHSFIA-OAQYLSRUSA-N 432.498 0.495 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840293119 HPQBGBZPYWJBIJ-RXVVDRJESA-N 434.562 0.663 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457330 QPWADWBNQXLELX-JOCHJYFZSA-N 444.536 0.147 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594189 LSXCCZAAPLALAD-GAMXZPBPSA-N 439.509 0.277 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716315 HQQDARUHFWFQRT-MFEFFIJZSA-N 442.516 0.908 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1845200481 JICWZIVIRZRMCH-AWEZNQCLSA-N 433.509 0.925 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(CO)on1)C2 1847071099 CBFDWBFDPFVOSC-OAHLLOKOSA-N 432.477 0.901 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30665969 VJDCRUAUMAAINV-IXDOHACOSA-N 436.534 0.824 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 108938236 FHLKMIPGLVZTOK-YWZLYKJASA-N 435.502 0.664 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 430079812 NLHVJAJIXAJQRN-UHFFFAOYSA-N 449.512 0.588 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 432504735 WVKJXRUUTQCAAH-UHFFFAOYSA-N 445.563 0.275 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 435765575 WTXZIXMZNWICMT-ZDUSSCGKSA-N 449.562 0.917 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1=O 440276032 LRWZNWNZFHPHEJ-AWEZNQCLSA-N 428.898 0.895 30 20 ICED COc1ccc([C@H](CO)N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 440377000 RYAIYCLADDDBOI-IBGZPJMESA-N 434.456 1.337 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nncn2C)cc1 441592876 SZHHQGJBYPDNAM-INIZCTEOSA-N 432.506 0.924 30 20 ICED N#Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1Cl 441616248 STRRDYKKZYJXNP-KRWDZBQOSA-N 441.875 0.869 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 444508716 RMYUXUQDFSAEIB-UHFFFAOYSA-N 432.506 1.082 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 464819232 BCZGXEKNPDFZTI-MRXNPFEDSA-N 443.533 0.855 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 465423193 QJTKUNOKQXPCBK-ZDUSSCGKSA-N 439.451 0.865 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)n(C2CCCC2)c1C 471048517 UZICDLJBYFAQSC-UHFFFAOYSA-N 436.582 0.936 30 20 ICED COC(=O)c1sccc1N1C(=O)C[C@H](N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 472095772 PVQVHPITRBKSRF-HNNXBMFYSA-N 442.501 0.902 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 476750287 VRCPEDDTXCWVDY-HNNXBMFYSA-N 441.513 0.673 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 480214311 NUXFWZPSWVDBME-UHFFFAOYSA-N 446.960 0.535 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CN3C[C@@H](C)C[C@H](C)C3)CC2)c1C#N 481049776 OZFYLJMVHPGXTD-YESZJQIVSA-N 429.569 0.731 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 482856683 MJBPFYPVZDUPSD-ZDUSSCGKSA-N 440.547 0.298 30 20 ICED C[C@@H]1c2nncn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484718127 WUDAAVXREVFDJS-OAHLLOKOSA-N 429.506 0.059 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 496226421 OZTGAKGKYYZDFH-UHFFFAOYSA-N 449.577 0.581 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)cc1 500324930 SCOJBVXWEJFTEC-OAHLLOKOSA-N 431.449 0.213 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2=O)cc1 504715040 HOKDCUUMOZLFAV-QGZVFWFLSA-N 447.455 0.733 30 20 ICED CCn1c(CCC(=O)N2CCN(CC#N)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 508061599 XNTXQBAAJUHBQM-UHFFFAOYSA-N 432.550 0.907 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[C@H](C)C1 509806323 KVYVTKSRQOVEOB-CYBMUJFWSA-N 448.480 0.704 30 20 ICED N#Cc1cccc(CNC(=O)C[S@](=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 520793811 FQRBLPZRDDJOEL-LJAQVGFWSA-N 448.526 0.398 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 521325284 BVHAJHBWNABHGE-UHFFFAOYSA-N 442.563 0.451 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 523466591 XTGYAQIOHIFIKP-UHFFFAOYSA-N 441.509 0.499 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)nc1 531884304 JUTHFQUGXJYBEV-UHFFFAOYSA-N 448.570 0.281 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)c(F)c1 534835642 YPSFUTMSKVJICL-UHFFFAOYSA-N 435.419 0.960 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1Cl 548618158 NKIWVLKHGNMXLH-GFCCVEGCSA-N 447.900 0.166 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)nn1CCC#N 549396973 XWVPOPHYPVKQBE-AWEZNQCLSA-N 432.506 0.917 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 566694650 OLNOAVWXPSBZCQ-UHFFFAOYSA-N 432.506 0.766 30 20 ICED COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCO1 570245789 RRWJCVUHCNLPCQ-CVEARBPZSA-N 443.460 0.765 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 579875269 HKMSQKQQZBMVJA-FXAWDEMLSA-N 441.532 0.392 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2C)no1 583826418 JOJAFRXFGFNWMP-UHFFFAOYSA-N 449.475 0.481 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C 604270146 PNLMSOGOZJVRSF-UHFFFAOYSA-N 428.514 0.036 30 20 ICED CCOCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402078 DJHIIAGEYBEPOH-BAOKRACBSA-N 442.563 0.697 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 727671169 RYBDGHOBCLAKSA-UHFFFAOYSA-N 431.470 0.759 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 728534652 RQZWZKPONPMFQQ-UHFFFAOYSA-N 440.525 0.995 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)N(C)CCCC)CC1 731485702 WSUZAWAVHNYRAD-UHFFFAOYSA-N 434.562 0.614 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 732156517 PEWBEJVHIAHLCR-AOMYARPXSA-N 426.429 0.453 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 733677520 JBVRHOVKTFALJE-INIZCTEOSA-N 439.538 0.381 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1 743725690 XEVOIQHUYCPUKF-UHFFFAOYSA-N 426.523 0.930 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 747279473 XRMVXUXHCNURDW-INIZCTEOSA-N 432.546 0.430 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 749743914 PGJMBKQGNAJHMB-UIFJYSFJSA-N 447.517 0.317 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C#N 752199528 JMHQODJEGJOQQE-UHFFFAOYSA-N 425.405 0.512 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n(C)c2n(C)c1=O 754389119 NFOQEBQRQUAZTL-LBPRGKRZSA-N 430.465 0.161 30 20 ICED Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 763423237 IITURYZVKCGYDE-ROUUACIJSA-N 434.460 0.926 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)(C)CN(C)C 763460315 IPPKNLIXGGRXAI-UHFFFAOYSA-N 427.574 0.641 30 20 ICED C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769217447 OOEWPXCXMJJXKH-ZFWWWQNUSA-N 436.490 0.784 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)nc12 782356573 YYWVDHGSEATUMI-OAQYLSRUSA-N 432.396 0.743 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 783010654 FODPOKVGWXLLOA-UHFFFAOYSA-N 430.552 0.491 30 20 ICED C#C[C@@H](CCC)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 791036563 UOKCGYILQDXGQP-AWEZNQCLSA-N 431.536 0.892 30 20 ICED Cn1[nH]cc2c(=NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccnc1-2 806489966 JVUJSHFOWUKDJQ-UHFFFAOYSA-N 425.474 0.752 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)COc4ccccc4C#N)CC3)ncnc21 827746350 NNKSPRHGDRQLAB-UHFFFAOYSA-N 435.444 0.506 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 915630594 DYYGDNSKHUIGLB-UHFFFAOYSA-N 432.546 0.224 30 20 ICED CCCNC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918470727 GSYJZGAEIWTFRG-KQWNVCNZSA-N 437.522 0.470 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1288869873 LFLLISUJOHZTAF-ULQDDVLXSA-N 439.586 0.882 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1299133824 MEFZICUMXLTTII-QGZVFWFLSA-N 425.493 0.540 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1303836484 MDLHDACBKWLZKM-YVEFUNNKSA-N 429.522 0.493 30 20 ICED Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1304267231 NYGOYFRUGALHRQ-GOSISDBHSA-N 437.504 0.868 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C1CC1 1321100077 UAUZKDUDRYRBFN-UHFFFAOYSA-N 449.536 0.911 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1noc2c1CCCC2 1510222173 PYCUNQCFOPLDMD-CHWSQXEVSA-N 435.510 0.532 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1539804543 YGYUOGAQMBAQTP-OLZOCXBDSA-N 432.934 0.030 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1541106658 ZWSOHDFSWSJOHK-OLZOCXBDSA-N 432.572 0.309 30 20 ICED Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1542050150 KQXLOXLFWAXYLK-DGCLKSJQSA-N 425.540 0.739 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)CCO1 1555994668 JUXDXRHSFVDYSY-HNNXBMFYSA-N 446.533 0.930 30 20 ICED N#Cc1cn(CCC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1566272159 UBKSVTUFQYSAHK-UHFFFAOYSA-N 430.896 0.802 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCN1S(C)(=O)=O 1731149221 NKEYDWMJKMKLCU-YJBOKZPZSA-N 446.533 0.702 30 20 ICED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1767960019 RJYIAPDFSCIEBP-AWEZNQCLSA-N 440.551 0.892 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100166 TXTSLRWSXDXZAQ-DYHJMRMTSA-N 433.509 0.878 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102807 JNQJUVPOBHGMDX-HGXRTVBQSA-N 435.525 0.817 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1779399820 GGCMSMKDQTZRBC-NNMXDRDESA-N 434.489 0.409 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236112 NEQAOJQUGKYIOW-QKKBWIMNSA-N 445.428 0.805 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1781396397 XRMGPCCCAOFGHK-KKSFZXQISA-N 443.508 0.986 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781788025 YCTQAQHLEXFSSK-LRXVAGHRSA-N 433.549 0.724 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C(F)(F)F 1781805136 GXSMNUVJXFMVBM-IIDMSEBBSA-N 435.443 0.770 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858897 OPLYOAIOYNBTNP-VFCRVFHLSA-N 441.525 0.233 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1781966017 CDUCZPUSMFCCDV-NRFANRHFSA-N 438.419 0.344 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195362 YZPKMHXDTGKXID-JLCFBVMHSA-N 438.488 0.793 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1c3[nH]cnc3CCN1C(=O)OC(C)(C)C)CCO2 1783054103 CYQCIWNDAIDTCS-XMSQKQJNSA-N 443.504 0.707 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783900654 XXRZSZHOXUQDKB-MDOVXXIYSA-N 443.566 0.771 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CSCC(=O)O)C4)C3)c2c1 1783961380 YDYDZRXWQHZRTJ-HXUWFJFHSA-N 443.485 0.696 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1784482186 GTSTYHGKYUGXAB-QAETUUGQSA-N 432.477 0.330 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378425 BTUUTXSUGIFCRB-OPAMFIHVSA-N 428.489 0.634 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1785421404 RDJVFLBRNOXAAA-HTAPYJJXSA-N 435.521 0.866 30 20 ICED 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0.460 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838060860 BJADBHWQQPUOGG-OAQYLSRUSA-N 425.445 0.300 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838762178 DGXACLPAODPARN-KRWDZBQOSA-N 427.383 0.307 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(C#N)c1 1839132597 LAWUHLMOEUIVPI-VFNWGFHPSA-N 433.530 0.884 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839228621 JZCXGVLHDYSWTC-KKSFZXQISA-N 434.493 0.465 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839228719 MRURLBFKIJBBEG-IERDGZPVSA-N 441.525 0.833 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)cc1 1839361470 MRFIZFHVFXVPSB-HSZRJFAPSA-N 435.484 0.855 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519100 VOHZDJJOOXGKRS-IBGZPJMESA-N 440.447 0.947 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839627868 BVBOUSYLNCUBDU-PXNSSMCTSA-N 433.534 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839628230 VJYZBKLACOJDBU-QVKFZJNVSA-N 427.461 0.066 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 1839806404 OFSMPQMIXKUTIN-XUZZJYLKSA-N 425.529 0.988 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839880299 LUINMNMMWGXXQB-SPLOXXLWSA-N 432.452 0.292 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1839993478 IWQISQRMRRROHD-WMZHIEFXSA-N 426.469 0.336 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840486534 IWXVAXDVNCQSGX-RKCCVIKDSA-N 442.520 0.418 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840929052 YSXDJFOEOFAMFI-WMZHIEFXSA-N 437.581 0.748 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299169 FZYMRCZAXVFQQN-LXMKPWBVSA-N 430.527 0.047 30 20 ICED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409551639 TWYGVNXBZICBGS-HOCLYGCPSA-N 430.552 0.837 30 20 ICED Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 430027026 ODNIGPQNCJSDHB-UHFFFAOYSA-N 433.476 0.777 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 437005563 SXWYSILNNCLHFG-CQSZACIVSA-N 434.522 0.742 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 438716047 LKDSXVNOLSKORT-SFHVURJKSA-N 444.513 0.644 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 442114411 OYFCISPNQLENSF-MAZHCROVSA-N 437.474 0.178 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 460377580 UNFLQGDXYFZVSV-QGZVFWFLSA-N 448.501 0.828 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 460612439 YKTCKNZXNNGDSA-UHFFFAOYSA-N 438.469 0.976 30 20 ICED Cc1nsc(N2CCN(C(=O)CCc3nc4c(O)nc(=O)n(C)c4[nH]3)CC2)c1C#N 461189818 FIDMMGUUJSXCLN-UHFFFAOYSA-N 428.478 0.280 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465418850 VEJUZDYIQHWXKQ-CYBMUJFWSA-N 437.460 0.392 30 20 ICED COc1ccc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OCCCC#N 467379037 ZCRXTGKKQCKJEJ-UHFFFAOYSA-N 428.493 0.840 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 480530430 SZZLAAUFWMQYML-LBPRGKRZSA-N 448.530 0.954 30 20 ICED Cc1ccc(C(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1S(=O)(=O)NCC#N 486008560 RXBXIYZSFWICMR-UHFFFAOYSA-N 436.515 0.717 30 20 ICED N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccsc2)c(=O)n1C1CC1 488141548 GTERGEACOQFGOH-UHFFFAOYSA-N 435.552 0.066 30 20 ICED Cc1ncc(S(=O)(=O)NCCCCNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 489713656 DSQBYDREWINBLJ-UHFFFAOYSA-N 448.530 0.874 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)n2)cc1 492481720 DXWKFYXXRNPCMK-UHFFFAOYSA-N 449.446 0.751 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)cc1 494188487 KHRGTCDLWOYFGO-SFHVURJKSA-N 433.534 0.437 30 20 ICED CCN(CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 505354859 ZZUSJEQXBWRDNZ-MRXNPFEDSA-N 435.506 0.551 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C)CC2)C[C@@H](C)O1 508589539 FRYNJDMJOBMFPB-IYBDPMFKSA-N 445.549 0.830 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 522301394 QYFPRUXHEKKOBE-INIZCTEOSA-N 427.505 0.753 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 524283014 YWPHLJVPWQOBTP-UHFFFAOYSA-N 436.440 0.024 30 20 ICED C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 527047144 YHZJGRHYDGOQDM-CQSZACIVSA-N 425.532 0.604 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1Cc1ccon1 531684166 LXFCLPCKTYZQHC-UHFFFAOYSA-N 446.435 0.839 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n(CCC#N)n1 532596408 BHNSPFPEXXVGFO-FUHWJXTLSA-N 443.552 0.883 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)C[C@H](C)O1 554348809 MNHQWFKUUMUXSR-KBPBESRZSA-N 433.494 0.769 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCO3)CC2)c1C#N 565612533 JTHJCAODUQZCIX-MRXNPFEDSA-N 441.540 0.836 30 20 ICED Cc1nsc(N2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)CC2)c1C#N 571456706 PEAFFLAFFKUICN-UHFFFAOYSA-N 427.533 0.633 30 20 ICED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 572902783 RPITXXSSKZTPSZ-JKSUJKDBSA-N 436.582 0.545 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 575141391 WGGMFPYLCXUBAW-UHFFFAOYSA-N 429.525 0.361 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 582076178 FGVYTZKCCLTADS-UHFFFAOYSA-N 448.526 0.370 30 20 ICED CNC(=O)C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 582506516 IALWQSOCQPZJDT-VQTJNVASSA-N 447.495 0.769 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N 604000913 HTHFFCJALPXSAQ-UHFFFAOYSA-N 431.433 0.928 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 608819054 VOCBMKKHHMTDTP-UHFFFAOYSA-N 437.504 0.853 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCc2cccnc2)c1=O 609038889 ZGFZUIPXAYYTSD-UHFFFAOYSA-N 448.552 0.843 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 612200210 SKJOJRFDTXDHBY-UHFFFAOYSA-N 441.513 0.749 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2nnc(-c3sccc3C)o2)C1=O 727521953 QOQRTKVYVRNMOO-UHFFFAOYSA-N 433.402 0.565 30 20 ICED COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(O)cc1 729253438 PQXYCIUHSLUWNT-AWEZNQCLSA-N 431.470 0.579 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 734436419 XHYOXJWHBDFONU-NZQKXSOJSA-N 440.544 0.888 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCN(c2ccccc2F)CC1 741344243 WPAHIYILILSUJX-MRCUWXFGSA-N 430.436 0.934 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744727372 ZFINBYJJVJNMQF-QWHCGFSZSA-N 428.463 0.843 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 749666286 HDNSYHCMWVJEFR-UHFFFAOYSA-N 429.521 0.600 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C1 755539114 ZVLVODOZIMXGPB-CJNGLKHVSA-N 427.461 0.786 30 20 ICED COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccc(C#N)c1 762940968 IKSQUJCWHOXTAE-YVEFUNNKSA-N 445.453 0.781 30 20 ICED C#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 764591273 SWUNNVSUHMXHNK-UHFFFAOYSA-N 427.910 0.711 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 766986758 KBCHMDKSTPJSIX-HNNXBMFYSA-N 445.432 0.631 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(C(N)=O)cc1 767882787 GXSSCMSODFVBGN-UHFFFAOYSA-N 437.506 0.260 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769660824 QDIZAEYOJGYOCM-UHFFFAOYSA-N 428.558 0.831 30 20 ICED C#CCN1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 781088606 XNQONAFVBFHPMW-UHFFFAOYSA-N 429.546 0.847 30 20 ICED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782129756 BVUVANVGWIELON-UHFFFAOYSA-N 431.474 0.857 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1C#N 782941208 XRTSCCZQMWUETA-AWEZNQCLSA-N 438.462 0.073 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 787314876 RZDARUCDEDCSIB-FQUUOJAGSA-N 425.486 0.501 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O 793733369 MNWKQRBOBGDJLR-HKUYNNGSSA-N 441.532 0.250 30 20 ICED CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCNC1=O 799847291 UNPWDUYIBFFEKW-QIIGAIICSA-N 435.506 0.175 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 800033740 ICZHXVRJSGSXJK-CABCVRRESA-N 431.559 0.676 30 20 ICED C#CCNC(=O)C1CCN(c2ncc(OC)c(N3CCC(C(=O)NCC#C)CC3)n2)CC1 804396257 AGPMRIFSAVQCPI-UHFFFAOYSA-N 438.532 0.417 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 805717364 YXJYQWQESOHDGK-UHFFFAOYSA-N 430.442 0.770 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 806713915 VDOSQPJMABZERX-FQEVSTJZSA-N 442.516 0.631 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 807898996 JLXGJXMPSKNSPX-ZDUSSCGKSA-N 440.547 0.046 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1)c1cc[nH]n1 856710875 OBGSDUARJONFKI-IBGZPJMESA-N 434.453 0.235 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 918827741 UHPFOMXYNRSTHE-UHFFFAOYSA-N 427.454 0.766 30 20 ICED CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 919076219 AQHNAIXTVNNAHZ-CYBMUJFWSA-N 429.433 0.913 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ncc(Br)n3C2)cc1 1180627042 LXDIAJOOIHYBOV-LBPRGKRZSA-N 438.307 0.927 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCOC1 1288864921 ZTFRCZGHZHVENR-ZMSDIMECSA-N 437.570 0.491 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1303404776 BLMWSUZPRVWFCF-SFHVURJKSA-N 442.568 0.995 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)CCO1 1316540713 NGIFSMRKCLXAHJ-MRXNPFEDSA-N 427.440 0.907 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539349554 PWMXVLXEUCDZBH-IUODEOHRSA-N 439.877 0.363 30 20 ICED C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541958080 YSFYEAYYGVZNTI-KNBMTAEXSA-N 431.518 0.817 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554321180 YDHADUBSXTYKPD-UHFFFAOYSA-N 441.535 0.254 30 20 ICED COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1730728857 KHSRORDCBCRFQZ-YJBOKZPZSA-N 427.575 0.597 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1761483469 YWTNIVRAZBIKGP-WOSRLPQWSA-N 448.546 0.298 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779065191 VJMRNYNAWHKYLX-HSZRJFAPSA-N 428.533 0.881 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779068512 KWLAVMJQOKTUDF-NZQKXSOJSA-N 442.468 0.363 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102804 JNQJUVPOBHGMDX-CITAQQGHSA-N 435.525 0.817 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206867 GOGTYVJTLPIXQT-PWISXXLXSA-N 445.516 0.855 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1780802944 NZDFEFXQKLOJEV-AXVVYFOYSA-N 445.582 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781927136 BIIMINZFAVUZOP-QEVIJRNUSA-N 435.427 0.972 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)CCO2 1783046723 USCITSGYOHKFEH-DPNXXKHESA-N 441.550 0.111 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381939 GIRUJDJEMOECAW-FJIDUMEYSA-N 435.521 0.265 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717691 JDFFQFRVVQDLHN-UZUQRXQVSA-N 444.484 0.720 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1788572447 BKWBRXUESOZRDR-BCYZHJNNSA-N 431.533 0.962 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788678220 RJQOXFLFNSNVKD-QMLJZNPSSA-N 432.521 0.401 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 1790246771 AHJLDNFWDNALRY-GIUOSPMZSA-N 437.500 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN(CC)CC)[C@H]2C1 1790594577 JGZPFZROPNLSRQ-PHQBQCIDSA-N 434.581 0.802 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655374 NPVYBRPCLVOMIR-LNLFQRSKSA-N 444.488 0.930 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c(C#N)c1 1790859750 HMAVXWFUBPJXHH-UHMOLFJZSA-N 440.500 0.225 30 20 ICED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)CN(CCO)CCO)cc3)CCC2)c1 1791329356 YGCONBVZAWOWDK-UHFFFAOYSA-N 425.489 0.921 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCc1ccncc1 1794128777 ZXZVFDJIXQTQGG-OUBXJXCTSA-N 426.517 0.852 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797587895 RMHTTXYUFOCRRS-ZMMAXQRCSA-N 430.461 0.020 30 20 ICED CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)CC1 1797818086 HKNJVJFFZFOJMA-QTPWAPODSA-N 436.553 0.837 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC(C)=O)OC(C)=O 1798475029 SAPQKDFJCXGILG-MHORFTMASA-N 438.477 0.629 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1801001490 VENKRBSSFFMFAO-GGXPGOJBSA-N 430.505 0.788 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)cc1 1801298525 UVOBATPRESGTLA-XEMDLRDOSA-N 440.529 0.991 30 20 ICED COc1cccc(N2C[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CC2=O)c1 1801987832 KWYKDOFGUFJVJC-XYVMCAHJSA-N 439.468 0.774 30 20 ICED CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1802229323 UCSPVAODLYORAF-HGKCTWBKSA-N 449.504 0.311 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803560465 MYGJFVZAMYSHGQ-BVSLBCMMSA-N 446.548 0.721 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803605597 ZBNNSQPKVYGTQF-QGTPRVQTSA-N 433.534 0.594 30 20 ICED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)CNCP(=O)(O)O)CC2)C1 1809296903 KNEZOBZCMJDEEW-UHFFFAOYSA-N 433.445 0.994 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200886 PJXDIRFABNZHSB-SWLSCSKDSA-N 439.432 0.098 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829051240 WOACBMUXEJIWEB-WMZHIEFXSA-N 441.532 0.138 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831388352 XNFUSNKXCRHOKS-AOMKIAJQSA-N 444.488 0.148 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1831438025 KAXUIBPAXUTCRK-MMOPVJDHSA-N 425.526 0.339 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)Cn3ccc(C)n3)CC2)CC1 1833073743 DNGBOIVWNLXECT-PLNGDYQASA-N 442.564 0.622 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833120763 PXOWQHBFFAKEFE-AWTNKVQXSA-N 447.492 0.005 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccn(CCOC)n3)CC2)CC1 1833465946 YPLJITOEYJLUDI-GOSISDBHSA-N 445.564 0.753 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c(O)n1 1833698996 RCOJONAUDTZBPO-QFIPXVFZSA-N 432.521 0.537 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(CC)c1F)CCO2 1833732731 DNAULIPIIVVIBC-QEVIJRNUSA-N 449.483 0.040 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834736698 ACMIVHOXCPWMNY-OAQYLSRUSA-N 439.560 0.203 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835364766 DBRVLRIKFDVQRG-XXBNENTESA-N 430.501 0.698 30 20 ICED Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)C#N)CC3)CC2)no1 1835773970 WWXOONLEBDWHLF-UHFFFAOYSA-N 444.536 0.834 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835778476 NKCLDTVUFMSHEF-YPKZHZFPSA-N 431.493 0.379 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)c1cccs1 1836207881 DQHVZWFPPASUDD-YADGQWAMSA-N 445.501 0.235 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836371300 NHDSREBMRDSHJU-PMACEKPBSA-N 449.640 0.785 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1836859824 ZSSOWYQIZNWIAN-AWEZNQCLSA-N 432.477 0.538 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015749 GBJGIPIRKPDBQS-VGSWGCGISA-N 443.504 0.372 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)CCC1 1837154280 RAPXPHINFIFMES-QHCPKHFHSA-N 438.484 0.694 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837488398 CMFQOPGXZASJCV-QHCPKHFHSA-N 443.500 0.556 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837527853 YEFBUWDJCKDFMB-VQHJOYQZSA-N 439.509 0.398 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccn(C(F)F)c4=O)CCO3)C2)CC1 1837769700 BRBBBJMYHONAEP-HXUWFJFHSA-N 436.415 0.617 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)o1 1838737929 FXASAJQGRKROTC-OAQYLSRUSA-N 441.444 0.822 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949532 HJGXQUUODIRUSD-SIKLNZKXSA-N 428.489 0.543 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950625 VCKWTPRQDKZQGG-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCCN1 1839123133 XVONVPJZSFBDHL-PKTZIBPZSA-N 444.507 0.838 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)CCCN1 1839187832 ZVXQYALNWGVJNH-PKTZIBPZSA-N 444.507 0.838 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1839890852 XQKBVIJJVAEQEJ-MSOLQXFVSA-N 434.436 0.270 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1840165484 ZWJREMOAPIMBEO-GMAHTHKFSA-N 430.501 0.989 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840922584 WEVOCVZERJTBJL-YCRPNKLZSA-N 429.477 0.052 30 20 ICED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1840928448 JGWBFMSCVDHARO-JOCHJYFZSA-N 429.521 0.688 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](COC)NC(C)=O)C2)c(O)n1 1844384207 YXRZOSJQHQYGRB-GOSISDBHSA-N 430.505 0.874 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1845131951 LMZXTHJDYYIDIQ-MRXNPFEDSA-N 445.524 0.573 30 20 ICED CN(C)c1nc(N)nc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 10606124 WZFWHCFIXPPLLN-UHFFFAOYSA-N 445.505 0.536 30 20 ICED Cn1c(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(C#N)c(=O)n(C)c1=O 14328836 LYOPIVZJVOKPTD-UHFFFAOYSA-N 441.879 0.981 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 18393435 DQIKRPIUQYCTMP-UHFFFAOYSA-N 446.485 0.908 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1=O 110086088 OUQASHWPXXKQEP-QFIPXVFZSA-N 435.440 0.506 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 409529752 QBTSEZFPIBUFSS-UHFFFAOYSA-N 444.579 0.717 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)n1 427058266 ZUFLBMKLXUNSAB-UHFFFAOYSA-N 432.282 0.695 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CC3)CCS(=O)(=O)CC4)CC2)o1 428708818 OHQLMIFXHCCHRC-UHFFFAOYSA-N 435.550 0.794 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(O)cc4)CC3)CC2)o1 438696229 MRVMXKIZLFKEIZ-UHFFFAOYSA-N 438.488 0.667 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1=O 440257908 GUCLASDFOWEJCT-OAHLLOKOSA-N 435.506 0.050 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC1 442284698 OAFOYEUCDADWFU-UHFFFAOYSA-N 427.549 0.708 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 460721839 WVQQXYFNSHHXQT-ZDUSSCGKSA-N 435.410 1.481 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 460952680 PTYMSPJGTXAXDA-CABCVRRESA-N 448.615 0.572 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n([C@@H]2CCOc3ccccc32)c1=O 461360785 LHZWZHGATVYWHA-GOSISDBHSA-N 447.520 0.797 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 467565248 TYCNEBSXZURXRQ-CYBMUJFWSA-N 441.509 0.652 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 469089223 UCPOXQZTUJOESH-ZDUSSCGKSA-N 432.506 0.526 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 477006767 BABVZQDZRZOUNN-SFHVURJKSA-N 435.550 0.878 30 20 ICED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 480305345 GQCSEFHYKABHQG-HXUWFJFHSA-N 426.454 0.898 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@]2(CCOC2)O1 483206557 ULTJLWDRDKAQTP-DYESRHJHSA-N 448.545 0.271 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](S(N)(=O)=O)C1 484811458 OCSFMOOXCVNBMP-NSHDSACASA-N 432.296 0.988 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1=O 498863242 DVOLGBXRXLRUDY-NVXWUHKLSA-N 434.880 0.805 30 20 ICED Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 506593330 WUZDMKGTZDULBI-GJZGRUSLSA-N 428.536 0.245 30 20 ICED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507526039 DSJCLQOGLNBNHV-UHFFFAOYSA-N 431.518 0.904 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 508998457 DDKROHVNMSDISB-CQSZACIVSA-N 433.538 0.500 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H]1C 509219493 LZNOGIHMODJIKP-GEEKYZPCSA-N 434.588 0.339 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(OC)nc1 512761444 BJOKPQNMFLNKRP-UHFFFAOYSA-N 438.513 0.548 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 514537595 OEZDTYZSCJNNHI-OAHLLOKOSA-N 437.525 0.346 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 515986426 KZPMRWSXJUIMJL-HNNXBMFYSA-N 429.502 0.977 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 520240881 SJMCSWMHMPXFIR-UHFFFAOYSA-N 435.550 0.551 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 523090728 WAMSQUNZLOBNOD-UHFFFAOYSA-N 440.525 0.686 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cc2)c1=O 523477602 HYDSXMUOWPGTNV-MRXNPFEDSA-N 429.542 0.909 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 543225730 AGAVZFRSXPFHOZ-UHFFFAOYSA-N 442.476 0.423 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545856359 FBEQPHICKMEMMN-DZGCQCFKSA-N 446.489 0.467 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)C1=O 547070265 HZMIERUTVWPJCY-UHFFFAOYSA-N 425.449 0.750 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 551149163 RVYUIMDVPFZCMQ-FQEVSTJZSA-N 440.592 0.592 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNc3ccn(C)n3)nnc12 552306808 LRFBWIHHSVIANJ-UHFFFAOYSA-N 438.517 1.284 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 553672057 IOHMEIUVIKRSMO-QUCCMNQESA-N 433.597 0.592 30 20 ICED C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(N)=O)C1 555257790 XAFSFJFWJDVQTP-AWEZNQCLSA-N 433.538 0.813 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 555782262 ORCQCYMZCORNDJ-OAQYLSRUSA-N 448.527 0.792 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)nc1 557473939 GEISHZKTCKVSJZ-MOPGFXCFSA-N 427.505 0.646 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 561903777 HENQWNNNOSUMRT-HKUYNNGSSA-N 434.924 0.733 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1 566395648 WWGZSVGGEACORH-LJQANCHMSA-N 442.495 0.211 30 20 ICED Cc1nc(C)n(C[C@@H]2CN(CC#CCN3CCO[C@H](Cn4nc(C)nc4C)C3)CCO2)n1 569011591 HTAVMFWXCLXGNP-VXKWHMMOSA-N 442.568 0.208 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 570427608 PZRBUYVANHSIJQ-YBOAYWMSSA-N 426.473 0.576 30 20 ICED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 572902781 RPITXXSSKZTPSZ-HOTGVXAUSA-N 436.582 0.545 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 579518736 PJJCIMNPHLIQMZ-UHFFFAOYSA-N 440.478 0.137 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)Oc3ccccc3F)CC2)c1C#N 579997471 NBGJGECIDAMEND-CQSZACIVSA-N 428.468 0.972 30 20 ICED CNS(=O)(=O)c1ccc(NCCOC)c(NS(=O)(=O)c2cncc(C#N)c2)c1 580373479 ZLWWFOJYKFPOKS-UHFFFAOYSA-N 425.492 0.720 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 581375281 XHWRULFZFSGQPJ-WOJBJXKFSA-N 435.532 0.742 30 20 ICED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 584679476 ITNFSLVRWJNVIP-UHFFFAOYSA-N 433.490 0.519 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(O)cc1 589390951 TWTVRGJAGQZTIS-INIZCTEOSA-N 431.470 0.690 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)CC2)o1 603568093 NFAMFUDBASCHAY-UHFFFAOYSA-N 438.366 0.483 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603797416 ZRUOYPZMQDTOJQ-UHFFFAOYSA-N 428.514 0.544 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731677217 TZWGFCSKXAVSOS-UHFFFAOYSA-N 429.564 0.390 30 20 ICED NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732234161 VVFUCNDQNLESBR-OSCRUYLVSA-N 426.477 0.784 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCCN3C(=O)CNC3=O)CC2)cc1 733401832 FHIIKNQNZUMDPU-UHFFFAOYSA-N 434.474 0.444 30 20 ICED C#CCNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 733895895 PFBWDOKZJAVHBW-UHFFFAOYSA-N 449.533 0.641 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 740478430 GXJOHVQQYSPHDN-ZFDMEJTGSA-N 436.852 0.970 30 20 ICED C[C@H](CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742539379 QGXONURKKMSCJM-KGLIPLIRSA-N 442.563 0.292 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 742895495 KNOROGDTFZQVGV-BPQIPLTHSA-N 438.509 0.998 30 20 ICED C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CCOC)c2)c1=O 743728674 NZABVYYLEAWIAW-UHFFFAOYSA-N 436.497 0.475 30 20 ICED CN(CCCNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 748575991 QBZBFLGFOBVGQR-UHFFFAOYSA-N 444.513 0.911 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 756316188 ZBBISBFSJXLWCK-UHFFFAOYSA-N 436.486 0.305 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)ccc1F 757139590 JCWOMLCYSVWZDD-HIFRSBDPSA-N 433.527 0.738 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c(OC)c(OC)c2)c1=O 758077023 LUFNWLRMFCHOQV-UHFFFAOYSA-N 443.912 0.995 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(Cl)c2I)CC1 764141655 CAADVCUQRJTKEN-UHFFFAOYSA-N 446.676 0.847 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1=O 779316860 ULRKOBIINGZLRV-LJQANCHMSA-N 448.501 0.992 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCCC1 779321879 UYRYOMIOCXPNRG-UHFFFAOYSA-N 441.531 0.851 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CC1 781592208 PCBREDMKESATSY-UHFFFAOYSA-N 441.481 0.840 30 20 ICED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782130105 QITGAQJXBBHDRH-ZDUSSCGKSA-N 431.474 0.521 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)S/C1=N\CCc1ccccn1 783007352 GLVRRCWSBXYBAB-RQUDRXCASA-N 431.440 0.739 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1-c1nnnn1C(C)C)[C@H]1CCS(=O)(=O)C1 783480876 VMHWSDASHVFYAO-AWEZNQCLSA-N 430.490 0.508 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 787747879 SRMYMWLTQDBVMO-LBPRGKRZSA-N 446.441 0.589 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccn(-c4ccccc4)n3)CC2)c1C#N 793667426 VESXOOYJFNNJSP-UHFFFAOYSA-N 432.488 0.751 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ncccc2F)CC1 795788194 ZNJDFTCCPRWZRU-UHFFFAOYSA-N 446.460 0.711 30 20 ICED NS(=O)(=O)c1cc(Cl)cc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 798569013 MPXRCXGLFCLFRL-UHFFFAOYSA-N 443.890 0.769 30 20 ICED CN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 802563272 FWGPHWQQVLGPJZ-UHFFFAOYSA-N 429.449 0.672 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 806708667 PTEOMWRNLVIVOA-LJQANCHMSA-N 429.473 0.966 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)c2ccccc2S1(=O)=O 821699990 ZVXHMDGJMDZDSQ-UHFFFAOYSA-N 449.466 0.113 30 20 ICED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC(=O)NCCC#N 825303873 XOGQCKQLAWQIPL-GOSISDBHSA-N 439.490 0.724 30 20 ICED COCc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 919034423 RCYOXIWGGPDDMU-UHFFFAOYSA-N 431.470 0.843 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)CC2)cc1 1229664591 YCLFUPYINYYAHQ-SJLPKXTDSA-N 431.518 0.728 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1288825999 OGHGKQKQDNTMQF-CZUORRHYSA-N 431.563 0.379 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 1318334085 ZIMJXUCGDQRDCQ-WMLDXEAASA-N 446.577 0.489 30 20 ICED CN(C)c1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1503393573 YHVUWZRXBQFSMC-HUUCEWRRSA-N 431.522 0.418 30 20 ICED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1533727468 JJAUGEZFCPWXHB-AWEZNQCLSA-N 430.486 0.962 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CC(=O)N(C)C 1544582291 JQSDJQWYQZWMMQ-MRXNPFEDSA-N 446.519 0.729 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1555807293 TWGRUFQTOKXTDK-QGZVFWFLSA-N 441.510 0.835 30 20 ICED Cc1nnnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1588158083 NQEZPGWJZCBQIK-UHFFFAOYSA-N 437.485 0.989 30 20 ICED COc1cccc([C@H]2[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC(=O)N2C2CC2)c1 1630030879 ZXPAVWDYWICBPL-HKUYNNGSSA-N 437.456 0.698 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1663336886 KDIOUGSPBXIERQ-JTQLQIEISA-N 437.341 0.657 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1711836597 QRNRXJOOHFRSQD-WFASDCNBSA-N 438.485 0.813 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)CCOC1 1728796470 WDXXYPFCODDENW-ROUUACIJSA-N 442.517 0.408 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1750209861 XKZONDMQTUHANG-INIZCTEOSA-N 443.533 0.425 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1 1760623543 WXNSYXYYZMHDMC-SFHVURJKSA-N 428.541 0.523 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1766723789 VKEGIOVHQHJXMQ-SFHVURJKSA-N 445.549 0.861 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1779196709 SPVWCYMUQSNOIP-NPNMTCQASA-N 431.555 0.519 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781099144 PFBNKWAJPXJRAY-MBSDFSHPSA-N 425.533 0.638 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781650049 MYUDJGXRLFGUFF-AXVVYFOYSA-N 426.535 0.116 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)cc1 1783437778 MFGJFWKZGJLCQL-ANULTFPQSA-N 438.528 0.997 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1784482832 GZBQBGFXJYETHL-XTYSOYBWSA-N 438.528 0.771 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1785574728 PYVZMMQEZOJRBZ-QKKBWIMNSA-N 447.492 0.475 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1785576085 GPIWALJQPWLGBK-YHJZKHPBSA-N 449.504 0.764 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787495802 RFFSSCZXCFGHMP-SMSYFYOWSA-N 440.591 0.688 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788742967 WPWXKCQKFBUHHN-XSLAGTTESA-N 437.537 0.780 30 20 ICED CC(C)Oc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)cc1C#N 1792057538 OWOYSLMVHAXWGO-IEZWGBDMSA-N 442.520 0.422 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424386 VJFRPSXBQCECHP-RMYQPGKMSA-N 441.532 0.788 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C 1794155264 ASGGTZSKRQIYGF-AJYBTWMASA-N 442.516 0.740 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794207853 DIDYWPOJENWWGO-DPEHRNEKSA-N 430.486 0.723 30 20 ICED 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)CC1 1795409785 PQXSZVZYGWGXQU-QKPAOTATSA-N 436.509 0.155 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797691139 QYDYRMUKNDTQEW-KBMWQNTOSA-N 441.532 0.788 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797711826 KVZPJESBZHHQLH-USZNOCQGSA-N 431.415 0.600 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810276 OHTURHZXACWABZ-FPZPCRNWSA-N 433.509 0.769 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nc2ccc(Cl)cn12 1800089346 PHZVFTAOBWCRPE-DBWKPXFBSA-N 430.848 0.587 30 20 ICED C#CC(=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 1800452290 VLGSJOZAFJYGTN-QLCXLMDBSA-N 435.521 0.529 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)CC1 1806848049 ROMXMYSGKYSWAU-MAUKXSAKSA-N 433.472 0.645 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807062246 JSTYTAJGGNLCPW-UTKZUKDTSA-N 435.488 0.521 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1808431712 INOXXOSFLHUNGW-XYJFISCASA-N 430.461 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817143953 CFLMBHQMXCQLCV-TUYSUELWSA-N 430.509 0.592 30 20 ICED COC(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn1 1818225042 LGJMWNZYTATUBT-HNNXBMFYSA-N 425.401 0.985 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825199975 UQZKMDRQAKNQCT-ZIAGYGMSSA-N 430.530 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1829768734 GKOWSMVVGWIKAM-RHVSLNNASA-N 431.464 0.754 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830916204 GLPZVUPFTXSHNT-CVDCTZTESA-N 431.533 0.962 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831425955 COMANQOBKZODLR-VFNWGFHPSA-N 430.461 0.884 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1834761240 URPGGWRNEHSGHC-NFBKMPQASA-N 442.516 0.257 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1)CCO2 1835044929 HXVQIZAKZGEVBX-XBKFQHLESA-N 445.491 0.683 30 20 ICED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835111050 AFYLZDYYYPQYNC-KDOFPFPSSA-N 433.578 0.774 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835365711 SEZHJHNFHJQFSB-HTAPYJJXSA-N 448.520 0.663 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1835674972 SUJYVGNDNDODDN-QFIPXVFZSA-N 435.569 0.211 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1836715024 YOCAAIRKVJGCCG-HZPDHXFCSA-N 434.489 0.662 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccco1 1837441290 ZOAWLRHOITXVFL-UKKLRFBMSA-N 432.477 0.390 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636508 APMUGTDMGPFRNR-XHSUDLSASA-N 437.518 0.227 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(Cl)nc4)C3)C2)c1 1838730619 COYSDCSWDOVMPW-IBGZPJMESA-N 430.852 0.714 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)c1 1838906524 NSHUQWCWACIHEF-QFIPXVFZSA-N 438.440 0.341 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CC1 1838908028 CWQZWSOILYOCCQ-QFIPXVFZSA-N 441.484 0.972 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)c(O)n1 1839161896 YLCTYDOXPSMDGL-OPAMFIHVSA-N 446.504 0.110 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839175221 VRYKAJUNOODIAD-PRAQEBQASA-N 444.550 0.111 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 1839806403 OFSMPQMIXKUTIN-URXFXBBRSA-N 425.529 0.988 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1 1840714165 WHRPJFVRKNMVCB-OPAMFIHVSA-N 428.489 0.472 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1840717173 LHFNTWFWSBVOIY-BTYIYWSLSA-N 429.477 0.052 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844303130 JQTQPIXDODNRII-QGGMBGSLSA-N 446.508 0.189 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)NC(N)=O)nnc12 9549648 QSUQDPOAKDCZQZ-SNVBAGLBSA-N 430.446 0.449 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 410127135 JEALGNXHDVRFKA-HNNXBMFYSA-N 426.495 0.007 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 430372767 SQDMUSLGRARNPQ-ZWKOTPCHSA-N 444.598 0.595 30 20 ICED Cn1ccnc(N2CCC[C@H](NC(=O)N3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)C2)c1=O 440347649 WOFABZHGCIALCF-SYJLOODJSA-N 447.499 0.804 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 446529816 FRURNTVAJWKVSZ-UHFFFAOYSA-N 445.911 0.993 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CC1 461358023 GKRFMVBPPXVSPO-CYBMUJFWSA-N 438.509 0.779 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479398023 SOSRVKYGOHKGJD-INIZCTEOSA-N 442.541 0.912 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1=O 484426044 UNQQREHLNPTMNS-AWEZNQCLSA-N 426.481 0.976 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488609525 ITPNIRNOIZAXKU-MRXNPFEDSA-N 438.444 0.324 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2=O)cc1 488625673 HOXBWYGZXDTVKC-GOSISDBHSA-N 430.428 0.390 30 20 ICED Cn1c(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(C#N)c(=O)n(C)c1=O 501806834 JQANGNHAMIREKO-LJQANCHMSA-N 436.516 0.269 30 20 ICED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 507548965 LEIZCBAABYHJNI-UHFFFAOYSA-N 431.518 0.952 30 20 ICED CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCn2cnc(C#N)n2)CC1 508330858 IRFOCIMSUNSMKL-UHFFFAOYSA-N 430.900 0.700 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCc1cccnc1 531655169 JMWSOIBAYLEEAF-UHFFFAOYSA-N 426.523 0.867 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 532893990 UJIPBGAGLAPFIH-GOSISDBHSA-N 429.458 0.999 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 532996351 NKINVBUAFNEYNF-UHFFFAOYSA-N 437.504 0.374 30 20 ICED Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)n(CCC#N)n1 533462409 FUGKUULEMZZDKL-UHFFFAOYSA-N 443.552 0.884 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 546693734 KAVCMLJIWQWOGL-UHFFFAOYSA-N 432.525 0.320 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C)CC1 550779833 ZIBHXXCONUTZKU-FCHUYYIVSA-N 440.592 0.611 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 553148337 MYIRRJYLQSKNIW-SFHVURJKSA-N 440.548 0.524 30 20 ICED CN1CCN(c2cc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccn2)CC1 558483848 IRQPQTHCXXUAFY-UHFFFAOYSA-N 428.518 0.300 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCN(CC)CC3)cc2)C1=O 562834177 LWXALMHVUCWDAR-NRFANRHFSA-N 441.576 0.686 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCNC(=O)c2cccc(O)c2)n1 565981127 MTQFKOFSUZTPOT-UHFFFAOYSA-N 433.428 0.719 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 569371210 OESUFEWUTSYNFD-OALUTQOASA-N 430.553 0.592 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 603482811 HWPRXIOYNMMYOS-MOPGFXCFSA-N 430.530 0.238 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2OC)c1=O 603795517 XOSOZOMGDHQRFQ-UHFFFAOYSA-N 443.525 0.699 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccsc2)c1=O 604269885 HMEYAGSEFURBNO-UHFFFAOYSA-N 430.555 0.621 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccncc3)c2=O)cn1 608884756 WPHNKPKJLIAIDQ-UHFFFAOYSA-N 433.493 0.823 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cn2)cc1 615057509 SHCFLPIKLWVQMT-MRXNPFEDSA-N 444.469 0.692 30 20 ICED N#CCc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 619461774 FNMCSXFMORUPOV-UHFFFAOYSA-N 434.499 0.674 30 20 ICED O=C(NCC#CCNC(=O)[C@@H]1CCCN1c1ncccn1)[C@@H]1CCCN1c1ncccn1 681340570 KXVMYIYBZOHQLO-ROUUACIJSA-N 434.504 0.140 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1C 726642440 BKABWBZHMRDQBN-INIZCTEOSA-N 431.474 0.617 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2NS(C)(=O)=O)CC1 728533758 SDFOENHAAJLOKJ-UHFFFAOYSA-N 428.514 0.719 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)c1 731123894 DRSXPNFSRNKAIK-UHFFFAOYSA-N 445.497 0.878 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 733889432 RJBLOHVJPQFQKF-OAHLLOKOSA-N 440.481 0.423 30 20 ICED CS(=O)(=O)c1cccc(OCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 738603386 WHKFTWOHPJTIHK-UHFFFAOYSA-N 438.483 0.862 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(COC)c2)c1=O 743725740 YKJJIDMAZDXNKS-UHFFFAOYSA-N 429.542 0.978 30 20 ICED CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 755543705 CSGBSUSXFGONAL-GDBMZVCRSA-N 429.477 0.789 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 756895021 RPPQKASXQMXHCU-HIFRSBDPSA-N 436.490 0.434 30 20 ICED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)o1 760572944 SWUCSFSOVOMFDJ-QBFSEMIESA-N 448.251 0.633 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 762463268 LSHJJWLREDQBTH-IERDGZPVSA-N 437.460 0.998 30 20 ICED COc1cc(OC)cc([C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763400048 JTDULLFKYKRGMD-GOSISDBHSA-N 436.428 0.944 30 20 ICED Cc1c(C=NNCCS(C)(=O)=O)c2ccccn2c1C=NNCCS(C)(=O)=O 771884319 LZVRTCAFPPHWMD-UHFFFAOYSA-N 427.552 0.184 30 20 ICED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780206859 SPURJQJGMKCUOJ-HXPMCKFVSA-N 429.454 0.760 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798546099 NWWQGJHSRZILSO-MRXNPFEDSA-N 425.482 0.706 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 804256159 KPGLIMNMYBAUJS-UHFFFAOYSA-N 430.509 0.975 30 20 ICED O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCN/C(O)=C1\N=CC=CC1=O 810382371 NPORHDHPFOJJIT-FMQUCBEESA-N 428.470 0.761 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 811832632 VZEWNGIFAVZZMI-MRXNPFEDSA-N 444.465 0.711 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)nc1 815684941 FDQRXTJJNOFSPI-GOSISDBHSA-N 434.456 0.508 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 916774077 DFJUKUJEQPWSTE-UHFFFAOYSA-N 435.483 0.698 30 20 ICED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 916935784 WHKVPVSVCLUPPQ-ZDUSSCGKSA-N 437.412 0.611 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1299262426 MNTAUADGYPNNFQ-HNNXBMFYSA-N 432.506 0.488 30 20 ICED COC(=O)CC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1318938975 OUBPPCPKFXVWRT-INIZCTEOSA-N 428.445 0.992 30 20 ICED CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1336738114 SGLAVCCZWHRUDJ-QURGRASLSA-N 441.488 0.837 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CCO1 1508378210 PYJZAGHANBFIBX-GOSISDBHSA-N 425.493 0.683 30 20 ICED COCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518957912 WKMUGYHFDMWXDZ-LAUBAEHRSA-N 431.541 0.478 30 20 ICED COc1cc2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]c2c(OC)c1OC 1523842936 OSOQCJXGJFOJNA-GFCCVEGCSA-N 435.458 0.773 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)C[C@@H](C)O1 1540846067 NQPCRUJJZUOBHX-CHWSQXEVSA-N 427.914 0.718 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1747188863 QJYXNEVMULOBQS-QGZVFWFLSA-N 445.549 0.843 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(O)c2)C1 1770351809 YDARCZRJGKLHCQ-SJORKVTESA-N 448.505 0.094 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1777716795 WUPWWHLSSFTHQT-FOIQADDNSA-N 447.517 0.269 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)c(C(F)(F)F)n1 1777755327 CHAUEXSIKYMZTB-FZKQIMNGSA-N 442.394 0.410 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016184 PNQATYVFHXKAAV-DHNIJCFSSA-N 442.520 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105679 MNFDDOUOPQPNSB-RETMYHCQSA-N 437.493 0.855 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779137567 VDYLWYXOJNEKIH-WWOVWOHCSA-N 431.537 0.166 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779422110 TYURZINPQJYDRE-DVZXGZMGSA-N 436.509 0.308 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)n(C)n2)CCO3)c1 1780167682 DLGADZXRXLKKNX-NRFANRHFSA-N 425.445 0.763 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C4=NN(C)C(=O)CC4)CCO3)C2)c1 1780169180 OEDOTMPDAPZKDM-JOCHJYFZSA-N 439.472 0.619 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780448261 YLJAWTOWHMSLEU-LXHZQTKUSA-N 444.488 0.401 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)CCC1 1783124875 WOQRRSAJTLAACQ-QVKFZJNVSA-N 439.476 0.239 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784451408 VPFSBQPNMQGNQG-BZSNNMDCSA-N 440.562 0.099 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557830 GGBOFOAJIYVPLK-HOEWKMGESA-N 431.493 0.768 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)c4ccccc4C3=O)[C@H]2C1 1785064463 JTSXJISDHUHIQI-BODMPHMZSA-N 445.541 0.971 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1785280116 LDKCYJQPVXLSBI-UZUQRXQVSA-N 427.501 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1785572905 SINARGKDBWLAMQ-STSQHVNTSA-N 447.532 0.771 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725348 MYHRWVYTMJIFHW-JTSKRJEESA-N 435.521 0.866 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSC(=N)N)[C@H]3C2)c1 1786778742 JFINGQWIBGSBOK-JQFCIGGWSA-N 431.518 0.787 30 20 ICED Nc1nc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)ccc2s1 1786910142 MHMYPRNOVZGCNJ-YDHLFZDLSA-N 428.470 0.560 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)[C@H]2C1 1788080361 WPLNHKPXOOFXAT-ZQIUZPCESA-N 449.471 0.468 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3Cc3ccccc3)[C@H]2C1 1791465029 BIZUFAFUIVKONP-TUFLPTIASA-N 439.512 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Oc3ccccn3)[C@H]2C1 1791618784 JYLCOGWRIKDHGN-YSMJTFFMSA-N 442.516 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)nn(C)c3C)[C@H]2C1 1791635980 UUEUDBYPFBXXNB-OTWYLLFQSA-N 443.548 0.418 30 20 ICED O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793046120 DDEXICVLAOGORF-NHKMSHSESA-N 449.507 0.605 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1793357353 NVIOZIKJXHBDRG-OAFZBRQQSA-N 428.493 0.535 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1793381568 XVEYRMBITQPPHE-QRJUGERDSA-N 445.582 0.416 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CC(=O)N(Cc3cccs3)C2)CC1 1793973626 DWRNBWUDNCCSHL-OAFZBRQQSA-N 442.541 0.990 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 1796295555 KINQGRQYJPXOFE-IVSAIRAKSA-N 425.551 0.856 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnn1 1796333369 XGKJPIKBAIYMMZ-YYIAUSFCSA-N 430.509 0.833 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796873187 BIMDDURUPHWVQJ-PDOZKZHKSA-N 433.534 0.285 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1800111090 UMRIWPUWNNNVDV-MUJYYYPQSA-N 446.460 0.904 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800231906 JTZFPSUODRDAKI-BMFAXAFESA-N 436.505 0.836 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801377904 XLMNHQWWZJPPPT-XEMDLRDOSA-N 430.553 0.451 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1803553277 OZSIBIHFTXKFBO-UNEWFSDZSA-N 440.422 0.804 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803563021 GPVAETUCKNLZML-TVTNDZMWSA-N 440.500 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)[C@@H]1c1cccnc1 1803662432 AADYQHMWEVNCQB-CPTVUZQLSA-N 427.505 0.457 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806614120 XRKCZBVISUZIID-NNMXDRDESA-N 445.479 0.737 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(F)(F)F 1812715911 ADKIANDPZIRWPA-SJLPKXTDSA-N 444.454 0.493 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879004 ODBLZXPBZSYROP-QOKNQOGYSA-N 427.486 0.202 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CSc2ncccn2)[C@@H]1c1cccnc1 1812880166 YCIFUYBLOFSWLT-DNVCBOLYSA-N 425.470 0.758 30 20 ICED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3NC(=O)C4=O)sc2C1 1819349578 LMNDVFONGGZTQM-VIFPVBQESA-N 438.421 0.592 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1819716262 ZZGHUEKYOLTZHB-MFKMUULPSA-N 433.538 0.961 30 20 ICED N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819897817 CNLNDJXPFQSUOR-GDVLARHCSA-N 449.537 0.424 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)[nH]n1 1822202524 URLMDHUJYACPSJ-LZWOXQAQSA-N 427.461 0.891 30 20 ICED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830459094 QPYACRJOLDUYNI-QHCPKHFHSA-N 428.533 0.899 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1830461410 HGNLFJPVVPNULY-JOCHJYFZSA-N 438.488 0.239 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470478 WYANMONVZRUMSN-KKSFZXQISA-N 433.892 0.282 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831427000 RFGFJQSCIPCAET-OPAMFIHVSA-N 448.520 0.586 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831487168 LZAYVZMZTGBQCQ-OXJNMPFZSA-N 433.534 0.982 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831490753 KVFHDELNAACDPM-FXAWDEMLSA-N 440.566 0.554 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833469558 FYXVBZVJCGUHRH-LJQANCHMSA-N 437.585 0.134 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1834246221 BXVOIIPFSIURGK-DOXZCSRISA-N 435.481 0.019 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1835514113 BHKKIGQCPICODT-FQEVSTJZSA-N 447.517 0.264 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835653538 SCHSEOADXJJBFD-HXUWFJFHSA-N 431.518 0.645 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1835674703 FEBVXNVOEGQNIW-JOCHJYFZSA-N 445.520 0.199 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675520 UERQMUALERUEHZ-QFIPXVFZSA-N 436.553 0.707 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835685585 PAAGCKNTSFULIH-SVMVAKDDSA-N 432.521 0.930 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835859327 UUXPEMGCUHFUKI-OAQYLSRUSA-N 425.445 0.565 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919883 DRTHADYCRCDACA-HNNXBMFYSA-N 445.520 0.951 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)CCO3)C2)CC1 1837293337 VESWGJJRFHHHHK-SIKLNZKXSA-N 440.456 0.481 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837489833 WALRHMRPGNLVET-DEOSSOPVSA-N 447.576 0.627 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837559934 DYRZXNRQWFXMGE-WNBNNUDTSA-N 447.879 0.912 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838195523 MPVCNTFAMLOPQD-WZONZLPQSA-N 446.548 0.791 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838417157 GQBUPPOGACXAFZ-KZULUSFZSA-N 438.531 0.144 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839165560 OHXKVTCKJNPCIV-HOIFWPIMSA-N 428.489 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497199 ZBVKKRKVKZMNIA-VGOFRKELSA-N 426.473 0.443 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)ccn1 1840813819 XIQNHZQDMPAHNG-JOCHJYFZSA-N 441.488 0.804 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCN2CCN(C)CC2)C3)c(C#N)c1 1845138564 PSGQKANHGXDCLA-UHFFFAOYSA-N 439.560 0.950 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1847080829 FXBKQCILZCTHDL-QVKFZJNVSA-N 430.509 0.951 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCN(C)C2 1847262670 ZYVIDQUSRKDEGX-DSQZMVHQSA-N 426.521 0.392 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)cc1C#N 1848070902 WZKYEVPSRIKQJL-IRXDYDNUSA-N 439.472 0.713 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 409543892 NYVFDYNYVZYCJQ-ZDUSSCGKSA-N 436.506 0.997 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNC(=O)c1cccc(Br)c1 409600636 WWFNWNZBADXVRB-UHFFFAOYSA-N 433.328 0.875 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 438739114 KHLJOWHBMWFTDB-UHFFFAOYSA-N 428.537 0.707 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1=O 440267843 NZBWEKIPFLLYRE-QGZVFWFLSA-N 444.488 0.108 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)ccc1OC(F)(F)F 443346910 NNGXBXDREVAAIS-BMLIUANNSA-N 439.350 0.890 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)s1 444505858 FWVSKWYUXVZCKJ-UHFFFAOYSA-N 438.535 1.144 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)ccc1C 446147629 PVAXBHOWKAZTNX-UHFFFAOYSA-N 425.510 0.924 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)cc1 472921653 GMFFXOPLZUHDOK-YWZLYKJASA-N 437.518 0.838 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccsc2)c1=O 489154383 IFXPTLVZMNMWET-UHFFFAOYSA-N 446.598 0.723 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2=O)cc1 502798203 ZDBLYNGFGYFGDM-ROUUACIJSA-N 432.502 0.317 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)n1 508367699 YNTULRORBMMMOC-UHFFFAOYSA-N 438.469 0.879 30 20 ICED N#C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1Cc1ccccc1 512178262 GMIAAWXUESQYLK-HNNXBMFYSA-N 425.470 0.615 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 514919478 WYYXTPVSTZEFMR-UHFFFAOYSA-N 447.900 0.674 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)C1=O 521260878 MJAVTSVSWBQOSM-SJORKVTESA-N 432.521 0.668 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)C1=O 522247901 ARSRAJVITQEXSH-UHFFFAOYSA-N 442.472 0.275 30 20 ICED CCO[C@H](C)c1noc(CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 540347180 WVRJAPBUAKWSQS-RTBURBONSA-N 447.584 0.977 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1=O 546779675 PPVDZCJRDMDRDU-KUHUBIRLSA-N 436.490 0.157 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1nnnc1C 546906938 QUHFOOYGRAHSCF-UHFFFAOYSA-N 447.459 0.533 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 547961886 WABZNNZMZAUMRY-LLVKDONJSA-N 435.864 0.296 30 20 ICED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 549665324 JFUDROJAUCMWIO-ROUUACIJSA-N 434.541 0.311 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCCCN3CC(C)C)CC2)c1C#N 557904037 CWUFJGGGMDNYPL-GOSISDBHSA-N 429.569 0.876 30 20 ICED C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CC)CC1 558873472 YTQFUWYCMGANSM-UHFFFAOYSA-N 432.550 0.793 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 561101766 PPCZQAJUGMUIFI-FOIQADDNSA-N 427.461 0.549 30 20 ICED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 564617955 RICKTWGVWQCYEO-IBGZPJMESA-N 439.497 0.791 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(CS(N)(=O)=O)cc3)n2)nnc1N1CCOCC1 571599849 HQBLXKORFZCPLZ-UHFFFAOYSA-N 445.505 0.730 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)s1 574402834 LVLDIZVEGCBGOZ-UHFFFAOYSA-N 445.486 0.363 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1=O 574629188 WWDAWUXJPKXXOF-UHFFFAOYSA-N 437.500 0.456 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)n1 577295100 XYDXOIAYDQALEZ-UHFFFAOYSA-N 430.852 0.701 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 580224504 PFZWTJLUNSDJHW-XLIONFOSSA-N 440.548 0.170 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(Cl)c2)n(CC(N)=O)c1=O 589156880 CJHXRMGMUDUWOM-UHFFFAOYSA-N 427.873 0.168 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C 603993397 STWMCUOKJRDWIJ-UHFFFAOYSA-N 431.514 0.128 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 608888151 AVJALUYAFBVBTP-UHFFFAOYSA-N 426.498 0.962 30 20 ICED C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(=O)N1c1cnn(C)c1 610308535 YUFGKVDCYDGAHR-GUYCJALGSA-N 430.490 0.536 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccc(C)cc3)CC2)c1=O 725785395 UTMLTXCPENEOQW-UHFFFAOYSA-N 439.516 0.197 30 20 ICED C#CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 728566477 GNXPMXCOTQSKSY-UHFFFAOYSA-N 434.396 0.760 30 20 ICED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCNC1=O 729970919 NZMURIKMUMUJKD-ZDUSSCGKSA-N 434.474 0.442 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 735082156 OETCCCZFMHMDDT-PEZBUJJGSA-N 446.407 0.783 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735156032 YSVYDHQVAWBGBE-UHFFFAOYSA-N 431.449 0.206 30 20 ICED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)N(C)CCC#N 744589850 URQNVCYDEWYCOH-NYHFZMIOSA-N 442.472 0.916 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOC)c1 752287783 KIDLIIMNNONUEJ-FQEVSTJZSA-N 443.525 0.702 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)cc(F)c2)c1=O 755628042 OQZMADKSDPGLPM-LBPRGKRZSA-N 437.468 0.489 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 756305103 LAUVHAGTEJQNHS-UHFFFAOYSA-N 428.894 0.756 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1 757234471 VZUBJUBJEOUMOR-RNWAHURQSA-N 448.505 0.021 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1 757587275 JWPBSQZXXPMSHE-GXTWGEPZSA-N 425.511 0.764 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1 759066246 VXTOERLREPVIRN-VKEPEHDUSA-N 444.517 0.835 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766263177 DTQFQUYGBPYTCF-JSGCOSHPSA-N 442.563 0.761 30 20 ICED COC(=O)C1CCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 767679659 JISPKUCZJORRBD-CYBMUJFWSA-N 437.474 0.180 30 20 ICED N#Cc1cccc(-c2cnc(CNC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)[nH]2)c1 768888760 LSPYYBGIVRUFTO-OAHLLOKOSA-N 440.485 0.730 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770655827 LFGVMPVFBOKSAY-UHFFFAOYSA-N 440.481 0.735 30 20 ICED COC[C@@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 785125877 XSJCZLVIWIOYJU-OCCSQVGLSA-N 438.911 0.503 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 804274250 BCULUPLZHNMJFB-CVTQAYBASA-N 448.501 0.687 30 20 ICED C#C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCCO1 804595879 CODIBBOHLSGXPV-HSALFYBXSA-N 426.517 0.297 30 20 ICED C/N=C(/NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)NCCN1CCOCC1 849078249 KSXZQXPFFIIFRX-UHFFFAOYSA-N 428.516 0.895 30 20 ICED CS(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 849195600 HMGZHKCSZRMSPC-UHFFFAOYSA-N 442.563 0.389 30 20 ICED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 856694806 WVLBHOTUKYJSBI-AWEZNQCLSA-N 436.490 0.115 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 915785207 SINCZGCOOXJNMK-UHFFFAOYSA-N 428.474 0.561 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCOC 916198264 IPIZIDLABOBJRT-UHFFFAOYSA-N 439.896 0.614 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 916200208 YUOYYTDHBSLUJC-UHFFFAOYSA-N 429.498 0.355 30 20 ICED Cn1cccc1C(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917216532 ICHJOXWENCHRIP-UHFFFAOYSA-N 443.529 0.828 30 20 ICED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1C#N 918756983 CPEVHONZLULJKF-NRFANRHFSA-N 439.476 0.848 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 1230109732 OPDHXNTVWVARQP-GJZGRUSLSA-N 439.513 0.879 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1314939601 OHEHAMPVUWCHJD-UHFFFAOYSA-N 433.538 0.574 30 20 ICED Cc1c(I)cn(CC(=O)N2CCC(C(N)=O)CC2)c(=O)c1C#N 1325865762 GCZWQHKYIXVRJL-UHFFFAOYSA-N 428.230 0.357 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC=CO1 1360707360 CEAVHTZKJMHTOC-UAGQMJEPSA-N 435.554 0.758 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)n(C)n1 1511661618 VSJPZFHAESNYTL-CJNGLKHVSA-N 436.542 0.297 30 20 ICED CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1517437147 XIXHSOUOVKHYGI-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1593886080 QUQCLIAPPXRMJO-KGLIPLIRSA-N 444.945 0.175 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCC(=O)N(C)C 1693748818 QLHNZLUDEFEXAF-JKSUJKDBSA-N 439.524 0.637 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1712426342 QVSLTDYMJWVGQB-UHFFFAOYSA-N 441.536 0.975 30 20 ICED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1712887046 RFDNJMBVURSIMN-LJQANCHMSA-N 436.538 0.194 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCO1 1722845692 XZNAGDHWHMZHAI-LJQANCHMSA-N 437.504 0.684 30 20 ICED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1746950600 OUBHWCLGYHMVBP-RQRBMRNWSA-N 440.570 0.948 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1768635081 ZGAVSUJJBBKCAV-SFHVURJKSA-N 437.504 0.986 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cc(Cl)ccn2)C1 1779508365 ZJTLLHRQCIZXCE-FOIQADDNSA-N 435.864 0.716 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141503 FZJXJBDRWDGUMM-IMRHEYAYSA-N 448.564 0.875 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1781271841 NDLOSFRPCFRUIG-AOMKIAJQSA-N 430.505 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C[C@@H]21 1783531343 UCSDPSQMOHPEMS-CSXCKWSPSA-N 440.544 0.567 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccc(O)cc1 1784015739 GDLBHPQLGYGKSK-JPYJTQIMSA-N 427.501 0.855 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784441718 SOCPDWLGDPWFHA-LEAZDLGRSA-N 447.557 0.346 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1784444690 ANUWXHHDFPVPIK-FCLVOEFKSA-N 448.545 0.479 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784486982 VJARMCLCDLXPJE-RWNQJQHJSA-N 444.484 0.835 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784519718 ZDQLGHWQBQHMLB-NKGFIYMESA-N 442.582 0.119 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)CCn5ccnn5)C4)C3)c2c1 1784532499 IOXCKMODLPNARE-NRFANRHFSA-N 434.460 0.560 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)cnc2s1 1786695925 PPWWXKGOFHKARE-BPUTZDHNSA-N 441.513 0.962 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c1 1786803401 NPZOQEBVSFDCKD-HVRBKMHZSA-N 441.532 0.500 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)c(O)n1 1787086069 XYOUQDXABQRZIN-SNRMKQJTSA-N 440.504 0.791 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600952 MRZMASDTNYTTCC-QOHMCUEZSA-N 435.569 0.743 30 20 ICED 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30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1829632722 ZSTXCWWMKKVJEU-HSZRJFAPSA-N 437.500 0.844 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829755847 LWBMRXFHKKQZBH-FQEVSTJZSA-N 442.501 0.835 30 20 ICED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)c1ccccc1 1830049737 CYGVESWJMFLUDO-HSZRJFAPSA-N 442.516 0.765 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831435117 LSBJXXQPTLKAJI-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1 1833468017 HZHUIKROHGYBOP-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OC)CCO2 1834131194 RYNVDUXYNLTBGA-JOCHJYFZSA-N 447.488 0.670 30 20 ICED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C 1834579730 FYFLEHWBYRUNOK-JOCHJYFZSA-N 439.472 0.982 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1834756330 UEBWUGYYZMCHDY-NRFANRHFSA-N 428.445 0.355 30 20 ICED 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KACIFBGMALGXRL-QGZVFWFLSA-N 427.299 0.829 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840293248 OJNZFBAYGIAJPT-NRFANRHFSA-N 426.477 0.388 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840818541 IPOBHSROOKEFQK-FQEVSTJZSA-N 443.485 0.559 30 20 ICED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1)NC(=O)OC(C)(C)C 1846371299 MCGKNAGUNFGOJL-CHWSQXEVSA-N 429.539 0.965 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409574650 GEYKFBJOJHLSLD-PBHICJAKSA-N 425.486 0.239 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cn2)C[C@H](C)O1 438753404 HWULUKROUOUUFX-IRXDYDNUSA-N 447.540 0.151 30 20 ICED CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCN(c2ccccc2)C1=O 439642147 GBTFGEZZKDTMQH-IBGZPJMESA-N 443.467 1.400 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1cccs1 441029096 IHCSVJRGOFHRSZ-MRXNPFEDSA-N 435.469 1.147 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 441930300 DLDFWUIBYDSZRB-HNNXBMFYSA-N 433.534 0.712 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 443560396 YMJYFNCHULXOMZ-UHFFFAOYSA-N 427.551 0.989 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@](C)(O)C(=O)OC)nnc12 460102087 ICIHHMMVGPEUQL-IBGZPJMESA-N 431.474 0.363 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccccc1F 465264117 NYKWJNCZCNERKJ-AWEZNQCLSA-N 432.481 0.893 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)CC2)c1C#N 472348419 QIVVLZOAJOZNPO-UHFFFAOYSA-N 434.434 0.718 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C1CCN(C)CC1 474351777 CJPRRZJZFDIKRV-UHFFFAOYSA-N 441.557 0.146 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478841024 BCWKDQHZSPHCOI-UHFFFAOYSA-N 429.546 0.849 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1nc2n(c1=O)CCCC2 480490232 ZHWYYISADFYGAT-CQSZACIVSA-N 432.506 0.126 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)o1 480932322 HTODMYYHDZUMIP-UHFFFAOYSA-N 426.454 0.467 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)nc1 488974489 GVPSLSOPYNRLQY-IAGOWNOFSA-N 437.522 0.604 30 20 ICED C=CCn1c(N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 497333423 HUBSMWRYKRXQEW-UHFFFAOYSA-N 441.539 0.276 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 500758920 NUVFMDNOVQXHQL-OAHLLOKOSA-N 438.550 0.919 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 514919521 FXNHGEJWESUPLP-UHFFFAOYSA-N 429.473 0.605 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520343596 NSYBQOYUBJUSGA-UHFFFAOYSA-N 434.518 0.276 30 20 ICED CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532505329 DFWRQJFTPGWLNK-PKOBYXMFSA-N 433.578 0.852 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 533515480 QOCNSMUBTGNCQD-QGZVFWFLSA-N 437.566 0.291 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 536397941 OQYZXWQSMPTWSC-UHFFFAOYSA-N 437.504 0.626 30 20 ICED COC(=O)c1cccc(Cn2c(=O)c(I)cn(C)c2=O)c1C#N 537652496 ACNGKYDXECWERI-UHFFFAOYSA-N 425.182 0.858 30 20 ICED CN(C)S(=O)(=O)CCNc1cc(C#N)c([N+](=O)[O-])c(NCCS(=O)(=O)N(C)C)c1 558602292 VLHCIAXUYCYLPS-UHFFFAOYSA-N 448.527 0.073 30 20 ICED C[C@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)c2)C1=O 560057452 GLWUOUPCESSVSI-VQIMIIECSA-N 433.490 0.470 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1=O 560675074 JTSFAMHCRMRNQQ-FQEVSTJZSA-N 444.532 0.259 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 562043180 RNPIOQDVQVVFDI-WOJBJXKFSA-N 425.533 0.966 30 20 ICED COc1cc(OC)cc(-n2nnnc2CN(C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 564149137 ZRIMSRASFKLVET-UHFFFAOYSA-N 443.489 0.852 30 20 ICED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCn1cnc(C#N)n1 573377134 BVKBUWSOJWYNAE-SFHVURJKSA-N 448.505 0.430 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(COc3ccccc3)n[nH]2)cc1 578268623 RIIKKSXZISWTRA-UHFFFAOYSA-N 426.458 0.850 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C(=O)N1c1cnn(C)c1 589034842 OCPDRIIAYOCITC-YVWKXTFCSA-N 449.515 0.267 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 590643608 KXYLLGLTOHZHQZ-UHFFFAOYSA-N 437.485 0.745 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C 592994012 TZPQGIJJWJBJNY-UHFFFAOYSA-N 426.477 0.442 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604434449 IOLZVSOYCGKJLU-UHFFFAOYSA-N 444.469 0.637 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc(C#N)c(SC)nc2O)c1 609203153 JDURGFGFDNFNHU-UHFFFAOYSA-N 435.487 0.657 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(=O)N(C)C 610769061 ZDJGSYDGJYKVJH-UHFFFAOYSA-N 427.530 0.121 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 726981917 GSBBDJXJXQNGSI-UHFFFAOYSA-N 426.498 0.839 30 20 ICED C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 726993250 UTUQEOFQSFHZHX-OAQYLSRUSA-N 436.428 0.946 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 732071076 CFFOCQNBEQTROO-AWEZNQCLSA-N 433.490 0.155 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccs2)C1=O 733477559 LWQKQTXCIDCQQA-INIZCTEOSA-N 442.453 0.869 30 20 ICED C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 735869862 SQEVQEZJZHUENR-KRWDZBQOSA-N 441.531 0.365 30 20 ICED C[C@H](CC(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745497086 QJFRJJIMWVZSIU-IUODEOHRSA-N 431.474 0.586 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccon1 747182759 HOIBPXJYFJKARV-AWEZNQCLSA-N 440.503 0.774 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 747276453 CVMGQMLPINTGHX-UHFFFAOYSA-N 444.351 0.904 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCN(c2ccncc2)CC1 748287602 WKCVTDUSFXTDTR-UHFFFAOYSA-N 442.545 0.449 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)[C@H](C#N)C1 755533727 CVOYJLJTRDLWQO-TZMCWYRMSA-N 426.437 0.476 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758056838 BIMOENZTLUFPTH-UHFFFAOYSA-N 441.472 0.960 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3ncccc3c2)c1=O 758068591 MTURWDQMKZJJCV-UHFFFAOYSA-N 432.505 0.747 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 761047361 NDWPFFDWDGDCJS-ZDUSSCGKSA-N 431.376 0.951 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1CCOC 763250382 NRSBVVPILZNTIY-UHFFFAOYSA-N 427.404 0.704 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1CCCO1 775798344 GULDDFCYBFQVOX-RTWAWAEBSA-N 431.558 0.779 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 777025261 WHBQQBPYERGPCJ-GOSISDBHSA-N 449.529 0.997 30 20 ICED CNC(=O)C[C@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2nnn(C)n2)C1=O 783031311 VMQKFTTWTYWJNP-DSGGYQJVSA-N 430.538 0.673 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 785433107 DBGHQXLTJSXMOE-AGIUHOORSA-N 438.506 0.076 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 787790604 ONSDSAISVLUOQQ-UHFFFAOYSA-N 436.472 0.962 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(Br)nc1OC)[C@H]1CCS(=O)(=O)C1 789590517 SSOYLFLXJSORBD-JTQLQIEISA-N 430.280 0.440 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790010947 DTWVJPFSSBAWMI-HNNXBMFYSA-N 446.489 0.841 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[C@H](Oc3ccc(C#N)cn3)C1)C2=O 794831706 HYSXINYELYEZKR-PKAMJGAUSA-N 426.477 0.938 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)NCCF 800642962 OYDZAIULTYWEJS-QRLOFXTQSA-N 441.485 0.028 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 804498078 BSIGTLGOZQRMGX-DOTOQJQBSA-N 427.548 0.436 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 807110897 ZSTGEHBGRHLFIJ-GJZGRUSLSA-N 429.543 0.716 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 810986304 VHRTZEASNROWMA-UHFFFAOYSA-N 431.536 0.434 30 20 ICED Cc1c(NC(=O)CSCC(=O)N[C@@H]2CCCN(O)C2=O)c(=O)n(-c2ccccc2)n1C 816758151 JBZFNZIHTSPVJU-OAHLLOKOSA-N 447.517 0.653 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914655388 PJLZHQXOQPIRJN-OCCSQVGLSA-N 439.877 0.729 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSc1cc(C#N)ccn1 915795239 FAMJGFRSJBYIEI-UHFFFAOYSA-N 449.514 0.361 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 917035914 SYSMBPINRMAECD-KRWDZBQOSA-N 428.470 0.560 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 919019844 BQGHDAOJWQLIAX-OAHLLOKOSA-N 435.502 0.272 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 921130339 KJPWKMMEUMPZOR-UHFFFAOYSA-N 445.339 0.586 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1288159578 HOLCLSQOUPTXRQ-INIZCTEOSA-N 440.556 0.988 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1306898110 PUCDVMNZAAPXSL-CYBMUJFWSA-N 431.474 0.641 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1314086828 UNKURDOWQFYIHR-MAUKXSAKSA-N 426.543 0.562 30 20 ICED COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1315564859 PQZHFXGKTMFWGR-GOSISDBHSA-N 436.476 0.846 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1566410196 UXFHRUZZASWDRD-GJZGRUSLSA-N 444.517 0.358 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1608474082 MPZFLVHVBGTONL-DNVCBOLYSA-N 437.570 0.828 30 20 ICED N#Cc1ccccc1OC[C@H](O)CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1647861170 OUGISNUMNODWEI-HXUWFJFHSA-N 444.557 0.894 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCS(C)(=O)=O 1692782758 QZSKDWRXTSJEEL-ZDUSSCGKSA-N 432.572 0.453 30 20 ICED Cn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1711256217 MUASYQFAANAXSY-QFBILLFUSA-N 448.553 0.523 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CCO1 1731187184 ZFBOKMYQJVBUCQ-AWEZNQCLSA-N 426.437 0.496 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1765656651 MRUMOOWBHZWTBY-NRFANRHFSA-N 425.493 0.820 30 20 ICED CN(C)S(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1766947025 TZHBVHVFBZLQNV-KRWDZBQOSA-N 434.522 0.520 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779218044 AZTYPBUDCAOEMA-AVRDEDQJSA-N 429.521 0.443 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3C#N)CCO2)C1 1779280309 LWSQMUZFTJSIDH-MWTRTKDXSA-N 440.500 0.630 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937252 YBUJLGFUXFOOJI-PDSXEYIOSA-N 431.493 0.294 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1782180908 GVGACPSHOBMGNU-URKNILKWSA-N 441.575 0.931 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cccc(=O)n1O 1785632214 KSNOZRXUPBMECA-LNLFQRSKSA-N 443.500 0.378 30 20 ICED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787526292 SUDWQGNVZYHSAL-FHWLQOOXSA-N 433.549 0.437 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1)C(F)(F)F 1789798469 XMTAMRGHZQCGQE-QAETUUGQSA-N 432.487 0.721 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@@](=O)CC)C[C@@H]21 1789891285 KZXHXSXICIJIKQ-VIXHQSIBSA-N 428.551 0.634 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790141886 RCVCKVZTTFMSTM-FHWLQOOXSA-N 427.505 0.617 30 20 ICED COc1cc(F)cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1791149209 LFNBUIZPVBVPGD-CUDZEKLPSA-N 430.432 0.915 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c1 1791984828 MXVZNMDDXFDGCJ-FCLVOEFKSA-N 433.530 0.952 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)OC)C[C@@H]21 1792259140 ZKXKGCNOMKQUPP-FPSMNIFISA-N 437.537 0.918 30 20 ICED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793254850 KGDLQYFYQNTXQA-BBIADKPPSA-N 426.517 0.997 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793823069 NNMQXWIJMNTOKS-XRGAULLZSA-N 429.539 0.338 30 20 ICED O=C(CCN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795293113 SFGODYKZZLCHTI-LZPJUBFHSA-N 436.553 0.981 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c(C#N)c1 1795441017 AOFMNFAXLZFXRK-BBIADKPPSA-N 442.516 0.031 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795977217 DNLYCJGATSUACS-IVSAIRAKSA-N 448.524 0.786 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796522998 HIQVDJQMBDZCQB-CYGHRXIMSA-N 443.504 0.596 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926400 RCROYTBJTIZESU-YYAJDYIMSA-N 442.520 0.517 30 20 ICED CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)CC1 1797810660 VBMKKJCHQWAXCB-KTCOPHPYSA-N 436.553 0.837 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1797816068 ZWMABPIPOOYFCU-SJSYYZABSA-N 442.476 0.462 30 20 ICED CCOC(=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 1798267660 UGMOHISTNQCGOY-OVRLBWAISA-N 426.470 0.218 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)cc1 1799642674 LIYGNIAWCSIPRU-SCAQPMJSSA-N 438.406 0.634 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800950068 DEUCKPXPXMOIJY-APAFKAMOSA-N 446.548 0.613 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810283998 JWKRZDGHIRJKGV-DUQRIUNSSA-N 443.552 0.152 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@H]1c1cccnc1 1810343845 VOJOXTBPFNSLNA-JUKXBJQTSA-N 437.518 0.901 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813039957 PIJWITQWFMSLBV-RBOXIYTFSA-N 427.490 0.451 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)c1 1822027335 JYSKSBWTHRNITB-KBPBESRZSA-N 426.502 0.833 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC3)cc1 1822160592 KQPHFBFRQFALRO-ZDUSSCGKSA-N 438.469 0.792 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1829267288 SGUKATSGXUOAHD-JOCHJYFZSA-N 437.456 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1829771477 RDMYAACCYLZZOZ-XGMKTNTLSA-N 433.530 0.176 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902658 XLOAHIRQNMOYPT-GAJHUEQPSA-N 442.516 0.424 30 20 ICED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CN1 1829949069 SDFBNXYFFWOKAI-CVDCTZTESA-N 425.485 0.021 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830468110 DHMDLWZFQMTHKL-NRFANRHFSA-N 443.891 0.888 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1830645689 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XATFUBZATVFNRS-GOSISDBHSA-N 427.615 0.784 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CSC(=N)N)CC2)CC1 1834715118 BBIPVNFLJOQEJP-UHFFFAOYSA-N 437.614 0.467 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1835354763 AGTIKDVTHAYYRG-OAQYLSRUSA-N 432.546 0.866 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220130 BZDYZKOYVWSRQN-HVHMTYQGSA-N 425.482 0.151 30 20 ICED COc1ccc(CC(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)c(C#N)c1 1836630963 GLFIJGGLXHEVNL-UHFFFAOYSA-N 431.489 0.419 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1836856864 AHZAACSMFASDNT-GOSISDBHSA-N 429.517 0.885 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837312032 RPDZKIQUYSMCQU-JTSKRJEESA-N 431.489 0.136 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837524343 FZVUQAZIIZFXMK-XTSMJKTBSA-N 448.476 0.386 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837527730 UIOOZGAXOCLPOQ-RRPYSREYSA-N 449.508 0.571 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837531290 HLPQQRHWCYXEAH-WWCXEQRYSA-N 445.476 0.485 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1ccccc1=O 1837690766 VRIWUCHQFHCLLJ-JTSKRJEESA-N 428.489 0.560 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n(C)n1 1838045173 JEPIDGYAMBYOEF-NRFANRHFSA-N 426.477 0.566 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1C 1838832321 VTEQQBVRNWJSLV-VQIMIIECSA-N 426.539 0.453 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)C1 1838907760 MVTIIDMQQGEHNI-REWPJTCUSA-N 426.517 0.970 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1838949641 MYNXJFDYTWMXOY-KNQAVFIVSA-N 425.441 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839174488 GDPVEUNXPVOSNK-NFBKMPQASA-N 446.500 0.686 30 20 ICED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489419 UFTTYQQAZJAYHK-SPLOXXLWSA-N 427.461 0.539 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C)CCO2)C1 1839817110 IKLQSPWTYRBVFD-GFINEQOMSA-N 435.521 0.936 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839843709 KXIQLXWMMVKLHW-QYWGDWMGSA-N 441.525 0.498 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)C(F)(F)F 1839893065 KTNFZBYKGZNDJT-HNNXBMFYSA-N 433.343 0.506 30 20 ICED C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)Oc1ccccc1 1840044327 CYCSDUARQIDQMP-VGOFRKELSA-N 430.457 0.388 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840621752 VYZRQFZBASFXIK-HRWQOHGTSA-N 427.473 0.864 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 110255180 AQIGKALIIGYGOY-KRWDZBQOSA-N 449.529 0.472 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCO1 409594803 NWVCCEJFVGCQNN-RTBURBONSA-N 434.566 0.385 30 20 ICED CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 437950913 VMKNYSUFLDBMSE-HKUYNNGSSA-N 441.488 0.763 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 438746428 PUANMPIDVZSXFV-UHFFFAOYSA-N 427.502 0.708 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@@H]2CCCO2)c1=O 440376236 AHTABVFTUHGKQR-HOTGVXAUSA-N 443.525 0.789 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 444058034 NAPFREIXOCMICR-AWEZNQCLSA-N 434.561 0.491 30 20 ICED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 446055315 RWQOCDAGLLLHKG-HUUCEWRRSA-N 444.521 0.838 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 446452965 MOXZBTXNCNHGQW-QGZVFWFLSA-N 447.561 0.334 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 448302450 MERYLQNLLNVWDO-HUUCEWRRSA-N 438.492 0.652 30 20 ICED N#C[C@@H]1COCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 464895122 MHRSLIYAPARBJM-CQSZACIVSA-N 428.898 0.524 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 465414994 HGKHUNQKRZXYFG-OAHLLOKOSA-N 431.460 0.664 30 20 ICED N#C[C@@H]1N(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCC[C@@]12CCCCO2 468632131 OCYUMPMPRWLWIC-LPHOPBHVSA-N 434.474 0.696 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-c4nncn4C)c3)CC2)c1C#N 472882435 NTHMTWRGLSJROD-UHFFFAOYSA-N 433.476 0.683 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 477343792 WGUCRWKWEFHFPC-MRXNPFEDSA-N 444.444 0.244 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 478851472 GILZUGWBJRDKIS-CVEARBPZSA-N 442.541 0.661 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 480940236 UIAQHOIBLTVWCA-UHFFFAOYSA-N 439.497 0.305 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CCN(C)CC1 482561334 QZACJSKXAIJDTQ-UHFFFAOYSA-N 439.566 0.915 30 20 ICED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488253396 VMJRPKJAXRVLIP-ZWKOTPCHSA-N 433.534 0.772 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 509003902 ZFOGGGDEJNQLIE-UHFFFAOYSA-N 448.535 0.851 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCOCCS(N)(=O)=O)CC1 513329887 QZNIXDAYTGCVEG-UHFFFAOYSA-N 437.478 0.444 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 514334170 SCZGTXMKTCQUDD-UHFFFAOYSA-N 431.489 0.899 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 516595618 HKPVWQPSSGSJOR-IBGZPJMESA-N 428.489 0.682 30 20 ICED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N(C)C2(C#N)CCC2)c(O)nc1=O 519110239 HSNQVPGIAZSKBZ-UHFFFAOYSA-N 434.497 0.605 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOCC 525173294 QNUGCQWTHMACJL-UHFFFAOYSA-N 438.509 0.632 30 20 ICED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 537851625 OHEMVLHAVYBWCN-UHFFFAOYSA-N 435.506 0.086 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 550864948 YRHXFMUTPVUZQQ-UHFFFAOYSA-N 436.472 0.503 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)n1 554354673 MOBCXRHADAGCTO-OALUTQOASA-N 426.521 0.361 30 20 ICED CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@H](C#N)C1 558879819 KJBGZJKBQBWJGP-MRXNPFEDSA-N 432.506 0.715 30 20 ICED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 580629247 LPSVBLYSYZDJTL-KBPBESRZSA-N 440.460 0.486 30 20 ICED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2)CC1 588236383 LBOZHZCAPALGMS-OAQYLSRUSA-N 438.576 0.487 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 588812494 GRFDCCOFXPKGQB-IBGZPJMESA-N 427.549 0.820 30 20 ICED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C(=O)N1c1cnn(C)c1 589038852 YTFUAGINRLVDNI-DOTOQJQBSA-N 435.488 0.509 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C1CC1 591000075 HHXUQFKOULKUGL-UHFFFAOYSA-N 447.900 0.892 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O)c1ccccc1 609570921 BCVGDOBBQOTJNE-UHFFFAOYSA-N 436.468 0.700 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(=O)N(C)C 610574336 IQNNBWNTQNCOCY-UHFFFAOYSA-N 438.553 0.903 30 20 ICED COc1cccc(Cn2nccc2NC(=O)C(=O)NC2CCN(CC#N)CC2)c1OC 611130245 OKBIDWDWUVZBLU-UHFFFAOYSA-N 426.477 0.991 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 728530549 JQPWVZLZYWASDD-LJQANCHMSA-N 441.488 0.401 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 728536125 KMWITKJKGKICMT-UHFFFAOYSA-N 434.562 0.256 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 729281455 BLZBLGFXDNDNHP-FQEVSTJZSA-N 446.573 0.514 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)CC1 729281487 DDLJNXCECJQECI-QGZVFWFLSA-N 434.562 0.661 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 729281515 FKMDGAXJBOOGKJ-HXOBKFHXSA-N 445.564 0.407 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730724276 LNMRZEOSEQYUAQ-UXPDKRSESA-N 437.503 0.458 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC[C@H]2CCOC2)C1=O 731560233 SBWKAQVYZSCPOW-BBRMVZONSA-N 434.518 0.906 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)cn1 732563003 PJQUWLXJUGPHQD-UHFFFAOYSA-N 447.586 0.241 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(OC)cc2)c1=O 732663250 LUGIGWXXYLVPJR-UHFFFAOYSA-N 445.566 0.643 30 20 ICED C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC[C@@H]1CCCO1 734188527 KATJGJVFXCOABA-JQFCIGGWSA-N 428.445 0.990 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 734354775 RZEXVKJKJBPXHL-UHFFFAOYSA-N 432.506 0.012 30 20 ICED Cc1nccn1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 748113650 QXEMASCXWDTODN-HAVVHWLPSA-N 432.506 0.759 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccccc3CC)CC2)CC1 748815953 BBMAGDUECUVSIY-HXUWFJFHSA-N 426.561 0.938 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1=O 749021688 HPOBEIVBAZVWMQ-SFHVURJKSA-N 439.516 0.643 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 754452932 DYXAEEPPKCQLEI-KWMCUTETSA-N 434.543 0.760 30 20 ICED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 758585126 PGXHKQUXJBHINF-AWEZNQCLSA-N 427.482 0.913 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C 758587006 VKPLLIIDFWGTJA-UHFFFAOYSA-N 427.530 0.098 30 20 ICED CN(CCCNC(=O)CON=C(N)c1ccc(N2CCCCC2)cc1)S(C)(=O)=O 762770295 UYMVETUHWSKPRT-UHFFFAOYSA-N 425.555 0.712 30 20 ICED CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)n2ncnc2N1C 764128934 LSTLHDVIGOOYAV-OAHLLOKOSA-N 441.517 0.968 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C)C(=O)C(=O)OC)nnc12 778278138 KHZFEPLMXCLHQP-LLVKDONJSA-N 430.442 0.996 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 783012541 GSTBPUDOEVYZOE-UHFFFAOYSA-N 441.535 0.180 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 783481552 PVUOEEPNBXXUBZ-JKSUJKDBSA-N 438.477 0.971 30 20 ICED COC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 785108704 IAEXCHOVZHBDFQ-OAHLLOKOSA-N 439.490 0.239 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)c1 785344471 GTSAAHDAHQTFMS-RAGBYUADSA-N 448.501 0.746 30 20 ICED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789618385 BTIJOKFSXDPOKW-UAHGDZPKSA-N 437.522 0.421 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCn2cc(C(=O)OC)nn2)C1=O 790017052 XRKGZMKDMPVKPL-OAHLLOKOSA-N 441.473 0.704 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 795334432 RJJOXUZGXRNVSM-UHFFFAOYSA-N 432.414 0.200 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)C1=O 798560414 HVBUIAPHXRRSPA-KGLIPLIRSA-N 447.307 0.418 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)NC)CC2)C1=O 803282496 LRFWSTMRUIYSIZ-SFHVURJKSA-N 431.559 0.865 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 838241291 GGEFMJDWHKREMZ-UHFFFAOYSA-N 427.461 0.571 30 20 ICED CCN(CCC#N)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 918848785 VNTLPBCVIBJPDT-UHFFFAOYSA-N 427.454 0.766 30 20 ICED CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1291183958 KPNOFEJWIMLTIM-CVEARBPZSA-N 425.559 0.349 30 20 ICED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C)(C#N)CC2)CC1 1301776000 VKGAVDZSWBOTCW-UHFFFAOYSA-N 442.568 0.695 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1302466764 RWYDTJHNLYOFGX-QGZVFWFLSA-N 443.533 0.902 30 20 ICED CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1=O 1307063595 AUPULEVLMWDZDX-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1314874060 RYKLYIQBMYPCOY-NDEPHWFRSA-N 436.563 0.713 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1315743679 LBRLZFMGBGLBMZ-QFIPXVFZSA-N 440.504 0.917 30 20 ICED C=CCn1cnnc1SCC(=O)N1CCN(C(=O)CSc2nncn2CC=C)CC1 1317695939 KVSHDKCNQZLJRR-UHFFFAOYSA-N 448.578 0.797 30 20 ICED COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1504592221 YXTPWTQHQWZLHE-SJORKVTESA-N 440.508 0.484 30 20 ICED CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCC1 1515975276 XRRZYVOCPGJWQS-AWEZNQCLSA-N 437.570 0.935 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(=O)(=O)C3CC3)CC2)cc1 1564926667 VGSWQJJIBKCEEL-UHFFFAOYSA-N 426.520 0.151 30 20 ICED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1617393994 WPFWOUIFGZOOIQ-MRXNPFEDSA-N 431.522 0.677 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1692786426 OFGWVMBHRDMOOZ-HIFRSBDPSA-N 444.583 0.453 30 20 ICED COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1730275203 IDQNGDOAMNRRKB-INIZCTEOSA-N 445.549 0.679 30 20 ICED COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769197705 GWHFXULZTOMIOT-FMKPAKJESA-N 425.559 0.347 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779056340 FMIIKWRVHGZDQX-JPYJTQIMSA-N 441.532 0.806 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779134258 DRPNKISLTBLORP-MVHAPSEQSA-N 430.421 0.333 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc[n+]([O-])cc5)C4)C3)c2c1 1779886031 AAQIRQNIUIBESE-JOCHJYFZSA-N 432.440 0.825 30 20 ICED CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cccc(C#N)c5)C4)C3)CC2)CC1 1780598728 CYNMKPUYPPVIJE-HSZRJFAPSA-N 437.544 0.782 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781200845 WWJALAXQGNXFFE-NRFANRHFSA-N 438.525 0.907 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1781959969 AADQKLHHTSEBCC-QFIPXVFZSA-N 437.431 0.949 30 20 ICED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(=O)C(F)(F)F)C2)CCC1 1782239222 VYSQMUNXLOOYTQ-FZKQIMNGSA-N 430.427 0.873 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783889159 QOKHRGAFTXYSRX-AFBRZQFHSA-N 441.550 0.713 30 20 ICED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)no1 1785273175 ITKMCFDVYWTXLV-JLSFHGIFSA-N 435.481 0.429 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1785349842 PZHCNIFGMSOLKS-QFIPXVFZSA-N 436.553 0.945 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CC[C@H]4C)[C@H]2C1 1787949697 UQCPUNLUHFAXSM-CMVIXEIWSA-N 441.532 0.911 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1788572448 BKWBRXUESOZRDR-HVMFNXBNSA-N 431.533 0.962 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)Cc3ccccc3)[C@H]2C1 1790954781 GAGNWMMBOGBNDN-TUFLPTIASA-N 442.560 0.852 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1792148681 TXXYVUDBAIEVII-BJLQDIEVSA-N 438.488 0.599 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1793361032 GVUJQKXZGANWNT-IQJIWCNXSA-N 431.489 0.937 30 20 ICED O=C(C#Cc1ccccc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728686 MOGNWEBQZRJGIC-MIFYACCESA-N 442.365 0.983 30 20 ICED NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccc1 1795673687 MFBKWMXXXZVFRX-SPMWLCCRSA-N 444.532 0.848 30 20 ICED COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cn1 1797742339 VAMDUTIFIBKYTG-OMQMMRKDSA-N 443.504 0.543 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Oc1cccnc1)C2 1799305423 HUBJWVQCJSXNLC-PDOICOKGSA-N 431.489 0.948 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800284107 WIDNEGPQNGENEH-AFIMGQEJSA-N 449.464 0.147 30 20 ICED 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 1800808014 OBTCRSTUPYFUJJ-VJQRDGCPSA-N 443.566 0.265 30 20 ICED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800849195 PMTIUOFJHONSSD-WERVVEIQSA-N 442.553 0.484 30 20 ICED 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)CCO1)C2 1800992603 QFPLZXCAFUMHRA-IBEHDNSVSA-N 443.566 0.530 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)c1ccc(O)cc1 1801054214 PYEPCNNBNSBFPI-XWQURZDVSA-N 437.500 0.771 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1802125973 GCFYBCAOCLBDCL-SFNKJDCFSA-N 449.548 0.798 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)[C@@H]1c1cccnc1 1802481391 IUUDZUGJERHHMH-VTWFDKPSSA-N 442.520 0.393 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1802488438 XILGUDVYNDWFLP-UDQXKNNESA-N 439.516 0.567 30 20 ICED 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]1CCC(=O)N1)C2 1804373447 CKAOTLCDYQIAOQ-BQJWPVKWSA-N 432.521 0.820 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1806026564 UFERVZFKGJIQKF-AWEZNQCLSA-N 429.481 0.249 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1806613431 GQNIQPVCPPHYMZ-WMZHIEFXSA-N 445.479 0.691 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NN2)[C@H]1c1cccnc1 1812881199 WGESIBSWNJARPP-LEDOBFOHSA-N 445.479 0.942 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2NC(=O)C3)[C@H]1c1cccnc1 1812881216 WHFBTJWXBNRXCL-ZHRRBRCNSA-N 432.436 0.984 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)[nH]n1 1815198728 ZZCSCRPAPOBOQG-BVGQSLNGSA-N 448.476 0.935 30 20 ICED CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773927 CJRBQEADCJHZGI-SGEFVQMOSA-N 427.552 0.571 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530087 VEWPBTYZRLCIBB-CABCVRRESA-N 429.477 0.900 30 20 ICED O=C(O)C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C3CC3)C2)C1 1829334473 JHXNADIIDUWHRR-QHCPKHFHSA-N 439.468 0.937 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccc(C)cc34)C2)C1 1831392094 BKMYBIFOJNPFPF-JPYJTQIMSA-N 440.500 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1831393932 SFLMBPBXIWACIK-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831426996 RFGFJQSCIPCAET-KSFYIVLOSA-N 448.520 0.586 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1832452767 GXOVFDRIGWNGCL-FQEVSTJZSA-N 431.518 0.947 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832675718 AXIZKGDZZKGGCV-YQNSVDCASA-N 445.520 0.389 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(Cl)ccc3F)CCO2)C1 1833239750 HTWMMPAJKHYJAM-XOBRGWDASA-N 439.871 0.982 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833520555 ARZCJVULMGJVDM-SFHVURJKSA-N 446.592 0.768 30 20 ICED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765747 UYOSKBZQNPDLLD-HXUWFJFHSA-N 431.449 0.644 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1834765991 ZLSZUNQMEXYWHG-QFIPXVFZSA-N 437.456 0.833 30 20 ICED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835098877 RORIFHOSXMALQH-DEOSSOPVSA-N 436.512 0.861 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835645234 AHGLVMNPQKRTPQ-OAQYLSRUSA-N 436.553 0.816 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CSCC(=O)O)CC2)CC1 1836862812 ZWUPYMZZQWEDGD-HNNXBMFYSA-N 426.535 0.841 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1837400239 ADNZQTCIDBPNPY-VGOFRKELSA-N 438.521 0.525 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837402898 LYFLGIVPAGEVKN-GCJKJVERSA-N 432.521 0.439 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1837403265 JBDGUYCUBXIYAF-KKSFZXQISA-N 438.521 0.359 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)O1 1837529256 QJUZYAOJFFUUJX-WRYIQBBHSA-N 439.509 0.539 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842090 TXKBCPARSHTULJ-ZWKOTPCHSA-N 438.569 0.151 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839175253 XNFSTXFQKTXKSL-OAQYLSRUSA-N 436.461 0.351 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)ccc1F 1839186546 AXAIECWFJVRKJW-OAQYLSRUSA-N 427.436 0.733 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839229018 XGSMYNCEAZXZMF-KBXCAEBGSA-N 440.526 0.154 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839711707 GLUPPWDCQCXPPA-HSZRJFAPSA-N 437.500 0.762 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1839782763 ILMMBNJHHLVBLZ-LQWHRVPQSA-N 440.562 0.788 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1840045045 NHSRFPXBONSUFG-QHCPKHFHSA-N 426.469 0.336 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840161993 IPWJXLNBBWNSLM-MGPUTAFESA-N 431.518 0.656 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201744 GYHUJYJGEXSYMN-CZUORRHYSA-N 441.472 0.076 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1844234724 MKNRRDJSSHWNMR-QRQLOZEOSA-N 443.544 0.942 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C 1847805952 XRXMOORLQGNZSE-RBIWONGKSA-N 449.548 0.987 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 25690147 XZKBHIWVTVEYRN-UHFFFAOYSA-N 433.534 0.259 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 409482499 FTPQXVODSOBOOH-KRWDZBQOSA-N 426.539 0.975 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 440339855 KALRVTZDRCPECJ-HNNXBMFYSA-N 425.580 0.925 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCSC 446244170 AXFYDFBAYQSWNR-UHFFFAOYSA-N 447.582 0.856 30 20 ICED N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 446628053 ITDHTTOTQKPBHQ-UHFFFAOYSA-N 439.480 0.184 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc1 466990699 IGFUSOSWVIYMMH-UHFFFAOYSA-N 445.501 0.484 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)cn1 470973340 DREDIKVHNUDQFK-KRWDZBQOSA-N 426.502 0.944 30 20 ICED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471064843 GVOFOWNBDQEEMF-INIZCTEOSA-N 447.517 0.358 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472327845 OSWBMJCLIIYUIW-UHFFFAOYSA-N 446.507 0.528 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487499457 LTAPSEXLYFJHKP-SFHVURJKSA-N 433.534 0.772 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489422766 NJIYUNUHZDAYSI-HOTGVXAUSA-N 436.534 0.565 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 491077141 FWELVHMBUXXGIT-IRXDYDNUSA-N 436.538 0.777 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 492565918 XPOZGCBALPQOLF-UHFFFAOYSA-N 441.455 0.752 30 20 ICED Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 497469817 WBZSGQDYOBUASA-PKOBYXMFSA-N 433.578 0.895 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cccc(C)c1 497562110 UJYWBDUDGZYDCJ-UHFFFAOYSA-N 426.523 0.930 30 20 ICED Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc21 504076782 PVLGNHDJPAAWPZ-CQSZACIVSA-N 426.477 0.557 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccon2)c1=O 505662784 OQWGNJWQLMEXKM-CQSZACIVSA-N 439.497 0.487 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 508251752 OKTJYWYRCQEYOJ-CQSZACIVSA-N 448.480 0.752 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 511435305 CEWYWSZLMIPKPR-MRXNPFEDSA-N 429.502 0.752 30 20 ICED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003472 OSHMIFPFCNWWMV-CWTRNNRKSA-N 446.510 0.587 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2C2CC2)CC1 514521064 CIWWMTJZAPENKD-UHFFFAOYSA-N 438.553 0.920 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 517307665 WKUZXSNYRCOYSI-KRWDZBQOSA-N 434.518 0.359 30 20 ICED Cc1ccncc1N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 517347087 FESIVXFQJOGGST-FQEVSTJZSA-N 446.511 0.828 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CC1 520647287 OAYBUIQFTYAMBH-RBUKOAKNSA-N 426.521 0.096 30 20 ICED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)nc12 525642218 TUNUFPXXNLXXEK-HNNXBMFYSA-N 438.469 0.877 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCC(=O)Nc1ccccc1C#N 536547352 DNHTUWAOPCXLJT-INIZCTEOSA-N 434.518 0.819 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 540348177 MFBSDDUZSGGEOV-FQEVSTJZSA-N 433.578 0.961 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C3CC3)c2=O)cc1 547961854 OWFGGHVCKUSKKJ-CQSZACIVSA-N 444.534 0.757 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 559772018 KGUKVWPCCXFVDO-QGZVFWFLSA-N 444.511 0.063 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCCC#N)CC2)c1 561351330 GRIKGZCKIGBIKF-UHFFFAOYSA-N 438.506 0.347 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cc3c(c(C#N)c2=O)CCC3)CC1 573650473 FQVVUOGUERYVDF-UHFFFAOYSA-N 445.501 0.347 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ccccc3)CC2)c1 574945937 IQGWTBSWIOODFJ-UHFFFAOYSA-N 427.530 0.775 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581317 BZSNVLBQGKYATC-ZHALLVOQSA-N 438.550 0.270 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604269946 KDCQQLVSGCFECR-UHFFFAOYSA-N 428.514 0.034 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)nc1 609942214 NLWCHFBFLQQEMT-UHFFFAOYSA-N 432.437 0.027 30 20 ICED Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nc2c1c(=O)n(C)c(=O)n2C 609971476 BJRYORKNBKQHBM-KRWDZBQOSA-N 432.484 0.791 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)cc1 613304493 VIWOSIZZEUVMLP-UHFFFAOYSA-N 446.485 0.746 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O 726043961 WZIUIUBGISYJTM-UHFFFAOYSA-N 448.863 0.509 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729186375 GVQGVFYUXAGXKM-NSHDSACASA-N 432.296 0.784 30 20 ICED C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(S(=O)(=O)N(C)C)c1 732461035 KUXZDEIZIGASQY-BZSIDJSBSA-N 435.506 0.824 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 733150836 XHQHLXUSCWACOE-UHFFFAOYSA-N 435.410 0.578 30 20 ICED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034101 CZRXADLXPONRAQ-LSDHHAIUSA-N 435.502 0.819 30 20 ICED CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 741451718 UVOXYEKHVBWUBI-MRXNPFEDSA-N 446.507 0.981 30 20 ICED C[C@H](CC(=O)Nc1nnc(NS(C)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 742569593 JPPFTCHLXQTDEC-MRVPVSSYSA-N 444.520 0.365 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 752688340 FPVNLIVQKFIJRP-UHFFFAOYSA-N 432.955 0.851 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359438 RYLQWNZBLHEGPT-UHFFFAOYSA-N 446.529 0.336 30 20 ICED CO[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1OC 754010028 QGBBPVGGLJCRGZ-UEHMLLMQSA-N 438.506 0.310 30 20 ICED CN(C)CCn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 756063280 PKZXRSJGRDFSQE-UHFFFAOYSA-N 431.518 0.867 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OC)c(F)c2)c1=O 758051824 NVVMIPDBECWRNR-UHFFFAOYSA-N 443.500 0.737 30 20 ICED C#C[C@@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775797542 DQVMQHMNRQAFTA-SJORKVTESA-N 437.518 0.425 30 20 ICED Cn1cnc2c1c(=O)n(CCCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(=O)n2C 780178670 FHAPPXBOQHZWDQ-FQEVSTJZSA-N 433.465 0.629 30 20 ICED COCc1noc(CN2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)n1 780484216 SIYGLHGVISCAOQ-UHFFFAOYSA-N 439.476 0.627 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cn(Cc3cccnc3)nn2)CC1 783844664 FASMUAQMTFBEHP-UHFFFAOYSA-N 441.521 0.499 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 786438149 CGBZMQNXRMWPFF-KRWDZBQOSA-N 439.520 0.592 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)[nH]c21 786570975 VUCAEDDNXPBVSU-JTQLQIEISA-N 430.371 0.598 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 789115132 RYCWHUWSEUCBBR-ORAYPTAESA-N 446.485 0.884 30 20 ICED C=CCOC(=O)N1CCC(OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 790842054 BFCVIMMEEZTNCG-ZDUSSCGKSA-N 439.490 0.783 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793195112 GQIBTHDBQOOOID-ZDUSSCGKSA-N 430.508 0.442 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc[nH]n1 796871141 HGBNRNOGBKYTGA-GFCCVEGCSA-N 425.492 0.512 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@H]1CCCO1 799259972 KZOORRNBKYDRDA-LSDHHAIUSA-N 437.294 0.916 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 804014232 NAYVMVGQHORMMQ-CQSZACIVSA-N 430.465 0.419 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N 809501414 IXJFSNNMGBHSAL-KRWDZBQOSA-N 445.520 0.850 30 20 ICED C#CC[C@@]1(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 809608434 RUFKGCMNLJQIMQ-QRWLVFNGSA-N 441.550 0.541 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1oc2cc(C)ccc2c1CC(=O)O 814883525 QMNICQWUDLCVEF-UHFFFAOYSA-N 448.457 0.468 30 20 ICED CC(=O)Nc1cccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821693376 NTTJNHRWQVNXRH-UHFFFAOYSA-N 430.442 0.865 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 831243947 RPNSKQQOKXTFPY-LBPRGKRZSA-N 444.469 0.655 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 856436767 MRAWKDDHWZNFAY-GFCCVEGCSA-N 438.462 0.140 30 20 ICED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1313801193 PUHWRKWDDKBUGZ-CXAGYDPISA-N 427.506 0.343 30 20 ICED Cc1nn(CCS(C)(=O)=O)c(C)c1C[S@](=O)CC(=O)NCc1ccc(C#N)cc1 1321147244 AIXCOYGDWCEFGV-NDEPHWFRSA-N 436.559 0.981 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OC1CCN(CC#N)CC1 1347122115 FSHZMVHNHVLQEW-KRWDZBQOSA-N 443.547 0.299 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCOCC1 1510222822 QLSHJWIJCXHPEC-HOCLYGCPSA-N 426.543 0.824 30 20 ICED CS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555819457 PLHAWZHDMGQOLA-OAHLLOKOSA-N 429.506 0.628 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1619738110 XQHNXEKINMWTBX-WMLDXEAASA-N 434.522 0.606 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711020261 QKPBSUFAMCLXDK-SJORKVTESA-N 437.570 0.588 30 20 ICED COc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1711639296 WKKLEJFUUVJUFY-ZBFHGGJFSA-N 434.522 0.982 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 1749268992 KVFAQONCWYCBIM-OAHLLOKOSA-N 448.977 0.132 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1766694206 XOAWCGXTAHPDLQ-OAHLLOKOSA-N 446.533 0.830 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(O)c2)C1 1770351808 YDARCZRJGKLHCQ-IRXDYDNUSA-N 448.505 0.094 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063985 XRNCDYYKBHSRTE-FUMRIQNTSA-N 429.517 0.373 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779105585 KXUHPGPONSQZMW-FZYXMWPSSA-N 445.516 0.949 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1 1780344593 JICPBQXWMOXAJL-XMSQKQJNSA-N 427.505 0.957 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780594600 ZRQKDMBFRVACGJ-MGPUTAFESA-N 434.518 0.330 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780803642 JASFETQOYUMWOY-NVALYEJGSA-N 442.513 0.366 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)c1 1781103075 WTPBQLBSVXOALL-YLJYHZDGSA-N 427.440 0.512 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858893 OPLYOAIOYNBTNP-PDSXEYIOSA-N 441.525 0.233 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CCN1 1782270258 NXBRFXIQZFUDER-XMEVSZALSA-N 433.553 0.498 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1782349867 CKFBUDZSQXRCSZ-QATSOJGNSA-N 438.488 0.340 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1)n1cnnn1 1784594803 GVALKGRSLMNYPR-CQJDLURNSA-N 430.490 0.565 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785000053 LTDINYPNCPFXKO-CADBVGFASA-N 435.565 0.942 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1785378702 LYGUJRCVQADFLU-QFIPXVFZSA-N 438.440 0.887 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785380024 MBVNODAIBYWFTE-HTAPYJJXSA-N 438.488 0.695 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccccn3)[C@H]2C1 1785428628 FMADKMWKIUJUGR-WSRLLZAVSA-N 426.517 0.852 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4c(c3)CCCO4)[C@H]2C1 1788197629 LIYNZXOQQGBMQS-BJLQDIEVSA-N 426.469 0.622 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677099 UNXJNIHXIKSENI-FRXKJFCESA-N 429.477 0.734 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)n1 1788678869 QOYZYIXQFIROLY-AESMULHNSA-N 443.504 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1789891598 HMCMEQFMFGSYBK-SZMVWBNQSA-N 446.504 0.604 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226609 HDYSXTWXTWAKFB-ZVZYQTTQSA-N 447.536 0.775 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790270641 RJCJTUGKDICWAP-TXJVSEOTSA-N 444.488 0.525 30 20 ICED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791328330 CDWSINFYVYVJDA-UHFFFAOYSA-N 447.532 0.917 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@@H](O)C1 1792519571 UQYNUQXQXZEQGF-JJTUDDRGSA-N 449.504 0.331 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)C1 1792815295 WKPLODSVWLCCGF-JNNRSPCRSA-N 447.557 0.675 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1793357640 SURUUHNVNMZSJQ-OPOADAIRSA-N 440.500 0.960 30 20 ICED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111561 QJGBBOZLVNQSLL-MFCZKXCZSA-N 442.516 0.776 30 20 ICED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C/N=C/c3ccco3)cnn2c1 1797837715 JADWRCLDWVJLMG-HCNGMSMZSA-N 436.472 0.953 30 20 ICED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1797898857 BARJGLRBBLHDKY-WMIGDMCZSA-N 440.479 0.757 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)n1 1797909048 RUDLNNNECZOMIS-JHDGKUDLSA-N 448.523 0.928 30 20 ICED C=CC(=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 1797947096 AIOHMTDVNBOIBK-FIIQBIKZSA-N 436.472 0.328 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)ccn2C)c1 1798527972 PNLRTICYTSNEAL-UPHUGPLXSA-N 436.468 0.783 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798579505 IGTQMBDKXQIIPF-HGKCTWBKSA-N 445.545 0.254 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)nc1)C2 1799304202 WRYUKLGWVXKDGL-XEMDLRDOSA-N 430.505 0.860 30 20 ICED 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]2CCO[C@H]21 1800824975 GHDMUJJIGLXYOK-WGEZERDCSA-N 447.532 0.481 30 20 ICED 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 1800988899 ZAHDYTNBQCXRHE-IJOLSIAMSA-N 443.566 0.122 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808869082 KMFSXOLBIUCMSR-HFTRVMKXSA-N 447.492 0.431 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc3c2NC(=O)C3)[C@@H]1c1cccnc1 1812211259 QYDVEDYMPCPNIO-ZHRRBRCNSA-N 432.436 0.984 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1814062824 UPFXQLRVAQCTGG-AVRDEDQJSA-N 446.471 0.725 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1815197330 MVKRAKUTCSJTHA-CJNGLKHVSA-N 439.476 0.694 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1815197910 GJBXNZNQXWNTQI-LPHOPBHVSA-N 444.536 0.604 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668632 NBTSIGKTRZFFOH-ISVAXAHUSA-N 448.534 0.449 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN(CCO)CCO)CC3)cc1 1822171643 RIPZFOJWNIKMGA-MRXNPFEDSA-N 443.529 0.527 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1829770528 WFGKXNVMKUPIHN-FJDKVYNBSA-N 444.488 0.311 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)CCO2 1830999009 SOKJBRKMZZXSLQ-JKSBSHDWSA-N 435.521 0.769 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831082768 KFBFELBPJHGBMR-TVTNDZMWSA-N 437.537 0.032 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1831388848 ZMRZIGPSJGEJLO-HTAPYJJXSA-N 445.472 0.632 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831396965 MYCPSKRMJICMSJ-KSFYIVLOSA-N 447.488 0.207 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831399637 YPYZMKMKXGZOGV-VGOFRKELSA-N 441.488 0.146 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C)cn3)CCO2)C1 1832987194 LSMNHJSQMJJONN-CVDCTZTESA-N 429.517 0.817 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)cc1 1833125378 SBVHSHOUFZIYOL-HSZRJFAPSA-N 435.484 0.855 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)CC1 1833717827 TYIGZEBPAKVQJP-HXUWFJFHSA-N 441.484 0.486 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)ccc1F 1833976900 OURLGBMJYYVUFS-QFIPXVFZSA-N 439.447 0.800 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834571776 JHWCVZUPXBTQFY-UHFFFAOYSA-N 443.566 0.112 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3OCC4)CC2)CC1 1835286491 DJEQJXIUVONDFJ-UHFFFAOYSA-N 425.485 0.895 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1835439708 OABGRBFYNJWZGF-OPAMFIHVSA-N 428.489 0.472 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835740352 SRTIIGJFWMJHTN-INIZCTEOSA-N 437.610 0.080 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140212 FEETZXRDWNYODS-UHFFFAOYSA-N 445.520 0.465 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ncsc13)CCO2 1837076419 VTWSTRNXZZEJRP-HXUWFJFHSA-N 429.454 0.454 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837486416 OBMNIUKWMUJRNZ-CSODHUTKSA-N 448.524 0.534 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490394 BVWNFHDCNRMRDO-DVECYGJZSA-N 448.560 0.715 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccncc4)[nH]n3)CCO2)C1 1838012662 SLLNRNARUARMSV-XOBRGWDASA-N 431.518 0.860 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525314 UMOKBDPTDRTXFN-HXUWFJFHSA-N 430.417 0.513 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1838605338 ZLYNCQZUSNNYFF-OAQYLSRUSA-N 443.460 0.325 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCCn4ccnc4)C3)C2)c1 1838741870 FSKQVBVEJDDMNA-NRFANRHFSA-N 426.477 0.633 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1839173510 UXYQAEKKSFYAPX-PGRDOPGGSA-N 437.537 0.437 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361226 XXSJXRFDDKIDEL-NFBKMPQASA-N 442.516 0.737 30 20 ICED CN(C)c1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044232 RITMIKTVFITVGE-QHCPKHFHSA-N 443.500 0.230 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840293314 SMUXBLWMLWFWCN-NZQKXSOJSA-N 428.533 0.601 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C13CCN(C(=O)OC(C)(C)C)CC3)C2 1845960623 WEYOAGIWPPHIQW-MRXNPFEDSA-N 444.532 0.586 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846152039 AUCJMHKLIPGQAY-SQGBVDNOSA-N 434.496 0.958 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCOCC2)cc1 62155963 LGSXCXGIJRQYCI-UHFFFAOYSA-N 438.550 0.660 30 20 ICED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409503958 SQACUEHFQGQXAC-DLBZAZTESA-N 442.925 0.641 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)ccc1OC 434584009 BIXXYTWMXAEXTQ-UHFFFAOYSA-N 446.485 0.746 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 438322802 UXSLVNFBTOBGMR-UHFFFAOYSA-N 443.489 0.830 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443146747 PZAHQTZUFQWTGX-UHFFFAOYSA-N 434.396 0.889 30 20 ICED Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(=O)(=O)NCC#N 465135557 ZACRQPWFPBYBAM-OAHLLOKOSA-N 439.501 0.809 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 473415760 WOWWZEZVYOHADV-UHFFFAOYSA-N 444.538 0.814 30 20 ICED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 473579987 ZSQIEBHGMNOZBX-QGZVFWFLSA-N 425.942 0.964 30 20 ICED N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCCC1 475800968 ZSQRFDNJYAGARJ-UHFFFAOYSA-N 434.584 0.421 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)s2)c1=O 477432915 CXBKEQQUTQJIRR-UHFFFAOYSA-N 444.582 0.833 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCOC1 479360981 PAMPPHLLLZATKR-CQSZACIVSA-N 428.514 0.379 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C 488309366 WQLIYZOREWYMLH-UHFFFAOYSA-N 445.541 0.818 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 490728094 FKEUPLRBMWMLPG-UHFFFAOYSA-N 436.472 0.951 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 491153300 CRRTZDAXAAHQJZ-INIZCTEOSA-N 447.561 0.926 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 502445209 RFYNDKNSOCAHEY-UHFFFAOYSA-N 426.494 0.572 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 502716920 UAYNYNVCHVDQLU-IAGOWNOFSA-N 437.518 0.340 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 505685352 ZOZWFSNLTOOKRC-AWEZNQCLSA-N 449.602 0.359 30 20 ICED COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 508855865 KEHHRRFGBFZIBZ-UHFFFAOYSA-N 429.502 0.840 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](COC(F)F)C2)CC1 512850670 KTSVREFEBVIIBQ-OAHLLOKOSA-N 442.488 0.952 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 522280140 WXKXOMVASAUZKL-HOTGVXAUSA-N 442.563 0.527 30 20 ICED N#Cc1ccc(SCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 522858915 HJCPFPCJTYPOSS-INIZCTEOSA-N 436.559 0.098 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOCC 523090516 CZDVOXKARMIOGR-UHFFFAOYSA-N 440.525 0.710 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O 526038215 JEBAWQLFSQGNNG-AWEZNQCLSA-N 429.473 0.341 30 20 ICED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377861 BJINFLXYPIMERC-UHFFFAOYSA-N 434.518 0.524 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](C)S(C)(=O)=O)nnc12 533623063 QGEGRQTUMRAUFN-LBPRGKRZSA-N 435.531 0.872 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 535645979 AWYGHOGRXCDSCA-INIZCTEOSA-N 430.490 0.449 30 20 ICED CN1CCN(c2cc(CNC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)ccn2)CC1 550905123 JKOHHISIUCDRGK-UHFFFAOYSA-N 447.543 0.929 30 20 ICED CCN(C[C@H](O)COc1ccc(CCOC)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 559139930 HREFQHULDXOSNX-PKOBYXMFSA-N 427.523 0.406 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 560979579 GFZPZFXLTVTFAX-GOEBONIOSA-N 442.563 0.355 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 562043179 RNPIOQDVQVVFDI-VQTJNVASSA-N 425.533 0.966 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)ccc1OCC(F)(F)F 565448749 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441.572 0.944 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398480 CJMLNIGBAAEXED-RHSMWYFYSA-N 441.492 0.084 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C(=O)OC)nc4)C3)C2)C1 1829668132 HIKXMLXGMSYPLE-JOCHJYFZSA-N 429.473 0.904 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1829773852 XMZZFJYPOODSJL-CHBUMTKESA-N 445.520 0.067 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830871624 KGGRJPGQTFBCMX-UNMCSNQZSA-N 433.480 0.713 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1831387614 RGHHIGGNXURMCC-MBSDFSHPSA-N 445.516 0.518 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833062485 VRAFTNNTIZDPGC-AVRDEDQJSA-N 433.505 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)CC)CC2)CC1 1833077213 TUJGILCMUDGHHQ-JTHGQSKGSA-N 433.597 0.757 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833362632 OVWBSQKVJMHWNZ-XXBNENTESA-N 446.548 0.791 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncc(Cl)cn4)CCO3)C2)c1 1833787259 CFLFHQMLZCYTAV-IBGZPJMESA-N 430.852 0.714 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835662983 GAPPULFZLFMGLS-JOCHJYFZSA-N 430.505 0.636 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835681261 VVEIOPSWLUWUNM-XMSQKQJNSA-N 435.569 0.066 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1)C(F)(F)F 1835990855 FTEYKJNGXIEJSC-GOSISDBHSA-N 430.427 0.928 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1837452942 NWKRRQAWMISSGJ-NRFANRHFSA-N 441.444 0.822 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837493730 UYTYCLSQYBDRBG-HYBUGGRVSA-N 448.560 0.958 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837519286 XLQZQECIIIFLTR-XMSQKQJNSA-N 439.553 0.086 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837919678 IZPHQMRFDQIVFT-XQQSMPNESA-N 449.895 0.058 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(CC)n1)CCO2 1838139162 PUXUJPVMXICXFV-NRFANRHFSA-N 435.477 0.816 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1F 1838538245 BKJHASGKIISQGF-OAQYLSRUSA-N 433.436 0.986 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1838580434 BMJYKQUJPKUDIF-QFIPXVFZSA-N 437.456 0.741 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1839174337 UPTXBWTWBWKWNG-QHCPKHFHSA-N 444.484 0.835 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)ccc1F 1839187479 FPBAHTTURNNFKE-NRFANRHFSA-N 444.419 0.704 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224469 ULKABNULFIZQQP-MGPUTAFESA-N 437.497 0.300 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1)C(C)C 1839225376 ICYCXYBZFXLRJV-DJPFJPOOSA-N 441.525 0.831 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4C(N)=O)CCO3)C2)CCC1 1839352364 KUCDSVBMUWEHIQ-QFIPXVFZSA-N 426.473 0.549 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnn(C)c4)C3)C2)c1 1839453789 CZTSDQQPIYOJSW-QHCPKHFHSA-N 437.500 0.913 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4)CCO3)c1 1839573541 MGGJAWGVDTUXAL-HSZRJFAPSA-N 449.467 0.765 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@](=O)c1ccccc1)CCO2 1839674257 PZWAJEFKRYTOGV-LAHHHLHYSA-N 440.587 0.957 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CCO2)C1 1839696016 AFNZXXGTLWKWAF-VWXURSGXSA-N 434.562 0.600 30 20 ICED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1840462912 UQYQIFMGCJSWNC-QHCPKHFHSA-N 437.500 0.533 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844281769 QSXCOEUAFAWSPI-KRWDZBQOSA-N 449.548 0.774 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(c2ccccc2)C(=O)C1 1847262388 WMIXPYREIJDUQW-IDPBEMBBSA-N 435.484 0.840 30 20 ICED CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 29335387 NDHKTFHGDNJPRZ-UHFFFAOYSA-N 447.561 0.239 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410408640 UJKSRNLMHZLDJS-KRWDZBQOSA-N 426.514 0.913 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)C1=O 427554930 ILUYDOJKSUXNOJ-GFCCVEGCSA-N 427.379 0.949 30 20 ICED Cc1[nH]nc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 431687763 RFNDSFOBXAKZIP-UHFFFAOYSA-N 431.474 1.400 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]([C@H](O)C(F)(F)F)C3)n2)cc1 434589885 YMNCLWWBILCSRY-GJZGRUSLSA-N 436.394 1.298 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)c1C#N 438238503 KHTLBECBACXXLE-UHFFFAOYSA-N 429.466 0.137 30 20 ICED CN(CC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)S(=O)(=O)c1ccc(C#N)cc1 440661892 RCGOPFZASAONJL-IAGOWNOFSA-N 425.532 0.747 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 460614208 LHMAKQRSUPFWKN-MRXNPFEDSA-N 447.430 1.447 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 461338557 HDEATBYRBDQQCO-UHFFFAOYSA-N 440.456 0.875 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1NC(C)=O 465416779 LBANBJKXWHOQEI-CYBMUJFWSA-N 437.460 0.991 30 20 ICED COc1cc(CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1OCC(N)=O 471808146 FWGPRIZYANGYFY-UHFFFAOYSA-N 428.493 0.804 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 473379581 MTRBDJDEHWXLFX-UHFFFAOYSA-N 428.445 0.010 30 20 ICED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480820791 CTPOCZXTUGLRTP-UHFFFAOYSA-N 446.485 0.941 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 483590785 IEQBCWWGEADLEB-UHFFFAOYSA-N 427.465 0.855 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 489172951 XDYNBIZBORGXHJ-WMLDXEAASA-N 440.547 0.252 30 20 ICED Cn1c(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 489228580 YNVNPNAWEFOVLD-KRWDZBQOSA-N 432.440 0.035 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 491102078 KPGNBOIAZQCHKZ-UHFFFAOYSA-N 445.589 0.620 30 20 ICED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 491222114 DHIUFNZEYGUSFH-MRXNPFEDSA-N 447.561 0.784 30 20 ICED N#Cc1ncn(CCNC(=O)NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 496673678 XXQQOQZQULNEOE-KRWDZBQOSA-N 425.449 0.280 30 20 ICED C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 499671978 VXWIMVBUSSCBHV-HLLBOEOZSA-N 430.548 0.224 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2)c1=O 505002862 NEZMKYCWXLLJCQ-UHFFFAOYSA-N 429.473 0.784 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512860950 JCYWEXRORDVHAH-UHFFFAOYSA-N 434.453 0.315 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)c1 513048189 XXTBUCROWRRYNO-UHFFFAOYSA-N 438.553 0.967 30 20 ICED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 513644564 COGBWPLBMQGBHG-UHFFFAOYSA-N 435.484 0.818 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 517506535 KHPMYDVKLHWKMI-MOPGFXCFSA-N 448.545 0.327 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 518009426 JEXFWHPGBCHDKQ-IJEWVQPXSA-N 436.490 0.174 30 20 ICED C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)NC(=O)NC1=O 519591074 JMLZKMFXTABVKS-IFXJQAMLSA-N 433.490 0.471 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 523975719 NRRXHURWRASMCU-UHFFFAOYSA-N 445.516 0.756 30 20 ICED Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1S(=O)(=O)NCC#N 524230095 DPMKCOAGLGDMAS-OAHLLOKOSA-N 433.534 0.222 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 532711003 WZHYKEAMVFOCQM-VVJOJPPRSA-N 426.583 0.393 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC 542013121 GGDZJKFAJRWHMO-UHFFFAOYSA-N 436.515 0.945 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542299728 KYSYZCRAAQMMGX-MRXNPFEDSA-N 445.520 0.581 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cccc21 543549267 PBUWYLOBNDHBAC-UHFFFAOYSA-N 425.449 0.087 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@H](CN3C(=O)c4ccccc4C3=O)C1)CC2 550154635 OCGJYLFUJVDOPL-KRWDZBQOSA-N 444.447 0.971 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 550980433 JAXLTZMZUIFWKF-KDOFPFPSSA-N 431.456 1.160 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O 561817357 VLHQUDYMMXQYTF-UXHICEINSA-N 428.533 0.639 30 20 ICED CC(C)(C)c1nc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 562134695 RJGFCPDYWMIYRE-UHFFFAOYSA-N 446.533 0.861 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)n1 569294662 COJQJWNXZXHSNI-UHFFFAOYSA-N 445.486 0.234 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2)c1=O 604269815 DJAWIJQPYFGKTL-UHFFFAOYSA-N 428.489 0.263 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 608912420 WITBGSXNXIWJQW-UHFFFAOYSA-N 437.308 0.484 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 614603345 IJQZEOLQAAIPTJ-UHFFFAOYSA-N 434.562 0.921 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CC1 728570376 BJSYRGUFUOMIRQ-UHFFFAOYSA-N 441.576 0.097 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739124834 WRYHCMYRUILYPU-XLBNITPRSA-N 449.533 0.598 30 20 ICED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741448667 CSMOSDBNFULICK-INIZCTEOSA-N 449.533 0.551 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 747733449 SYJKSAKSRCJFNK-ROFLEHJCSA-N 436.512 0.778 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nnc3ccccc3c2=O)c1 749505141 OGLHAVOBSJJSFH-UHFFFAOYSA-N 431.452 0.665 30 20 ICED COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1cccc(C#N)c1 751634001 CTTVKIJMBYMPOL-SFHVURJKSA-N 447.469 0.989 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H](C#N)C1 758567420 CVOSSXYBJWERBQ-TZMCWYRMSA-N 442.498 0.152 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 762527983 TZGNZNMTZOENMJ-UHFFFAOYSA-N 429.408 0.470 30 20 ICED C#CCN1CCN(C(=O)CN2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 767094268 SHJKAMXUTNXGDD-UHFFFAOYSA-N 434.562 0.169 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 767892875 XIKIIZKRSMEAEO-UHFFFAOYSA-N 427.530 0.825 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 774812713 ZCKYVWRLTVKKFI-MRXNPFEDSA-N 428.518 0.733 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 781598822 FABIWHMYUPSORY-UHFFFAOYSA-N 442.428 0.574 30 20 ICED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785210831 RUDPRFYDNIVKKG-UAHGDZPKSA-N 437.522 0.278 30 20 ICED CN1CCN(C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2)CC1 787734233 AKRDEWFKESTBIB-HXUWFJFHSA-N 435.532 0.586 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 787757499 DUMMPMAVKZVOGF-LJQANCHMSA-N 440.479 0.810 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 787787485 LPHAQWDPGBBCEK-UHFFFAOYSA-N 430.472 0.706 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)c1cc[nH]n1 789963795 OSHJAMPZRWEHEH-CYBMUJFWSA-N 441.535 0.170 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 807381890 NMNLWIWSFSHYOC-UHFFFAOYSA-N 436.486 0.606 30 20 ICED COCc1noc(CN2CCN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 809502647 MHIPXNXZYDIARN-UHFFFAOYSA-N 428.449 0.057 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 916809620 IVCDJPWIBNVCRL-FQEVSTJZSA-N 442.453 0.839 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC4(CC3)OCCO4)CC2)cc1 917063328 HMDLDWYQBQEUEC-UHFFFAOYSA-N 434.518 0.230 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1293241718 FFOQFRQEJAJKGT-DYESRHJHSA-N 426.477 0.595 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(=O)N(C)C 1318910370 SBYYECVLNWRFMZ-UHFFFAOYSA-N 438.553 0.516 30 20 ICED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1321833646 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C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@@H]21 1783529216 HJZVDYFKPKGJSV-AKSSPNHOSA-N 429.521 0.489 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567623 UIWSGFJDVAPQKR-ZHRRBRCNSA-N 449.504 0.551 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784519820 JBEXSPVZDYDBGY-WOYTXXSLSA-N 431.555 0.448 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785685520 RKCBYRABPFTLGG-HPZZRFSDSA-N 441.575 0.538 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256422 KULWFAVQTBCJMT-BXWFABGCSA-N 425.489 0.023 30 20 ICED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788655336 BRYXWYZKDOSVGD-TXFDGEMNSA-N 447.492 0.608 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575007 JXSVQEVKCGZUIP-ORGXJRBJSA-N 429.473 0.767 30 20 ICED 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CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795081876 QOSRLKYPZZJPAG-IWSXDTNSSA-N 436.509 0.108 30 20 ICED N=C(N)SCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795588366 GCGIZSFSNMKTTD-ICZZDQBYSA-N 427.527 0.122 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796397983 BYQOZYALZVNRLY-IIZPIQPGSA-N 440.544 0.240 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)[C@@H](C1CCOCC1)C(=O)N2 1797328400 POFYBVOEUGVPCM-WOSNLTMFSA-N 437.496 0.985 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2 1797815606 QYKFJCJQRFLVJK-BMTUANAVSA-N 433.461 0.830 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1797816446 KMPITVLIFVSIBH-VZEXOLIBSA-N 442.476 0.690 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)c1 1798489002 NKVMJHZBXQNHCZ-BMQTXXJKSA-N 428.489 0.469 30 20 ICED 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C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CC)CCO3)c(O)n1 1830515547 OCNYUSMOVUBOST-PGRDOPGGSA-N 433.505 0.747 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831464471 QRTSIHXONRJITD-RHSMWYFYSA-N 438.493 0.335 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831610605 UAJJDFIILXCQAJ-AOMKIAJQSA-N 428.489 0.334 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832759370 FLRRGMLLGSJEAP-NRFANRHFSA-N 428.445 0.355 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1833225235 PSFMHWDVXPHBRN-QFIPXVFZSA-N 438.488 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833473842 NRHXKSCCTAUSDG-IBGZPJMESA-N 436.597 0.871 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1833843018 FQMXHOWJMHSHDL-FQEVSTJZSA-N 444.879 0.724 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834857347 DWWCEFQFNXSQGT-OAQYLSRUSA-N 433.436 0.721 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c(C#N)c1 1835529007 MYQIAFRVADCYOR-OPAMFIHVSA-N 430.505 0.161 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834428 NQADDCYGCIFZKS-LZNRXBQRSA-N 447.536 0.729 30 20 ICED N#Cc1ccc(F)c(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1836463619 ALOCYZXUAXBHHW-UHFFFAOYSA-N 429.500 0.366 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837493559 KOKYPPAHFTXIED-JOCHJYFZSA-N 448.516 0.095 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1837844443 BKOGQACGEFGAKM-UHFFFAOYSA-N 430.484 0.793 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838385372 RPVNXOIJTDIQBN-LJQANCHMSA-N 446.548 0.815 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838735928 BHZZPPNLXFPYGU-HXUWFJFHSA-N 427.465 0.443 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)c1 1839451232 GWZQZGLDPQUBMP-QFIPXVFZSA-N 437.456 0.746 30 20 ICED CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489455 WXUGKBSCHXVORG-JOCHJYFZSA-N 441.488 0.931 30 20 ICED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1839761938 KYDPUSVRSGXSQL-JOCHJYFZSA-N 441.484 0.972 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839888465 OSYWEFOSMYHIAM-GOSISDBHSA-N 426.420 0.767 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839888485 QGWNLOSRTRTGNI-IBGZPJMESA-N 440.447 0.668 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(F)cccc3Cl)C2)C1 1840040421 ZQADLMQNUULLEF-HXUWFJFHSA-N 438.839 0.566 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(F)cc3F)C2)C1 1840043683 OSDKAIDEVJFANU-LJQANCHMSA-N 442.802 0.776 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840431617 MYYFWTFLPDKAQI-IWPBPTMCSA-N 443.504 0.688 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840940507 NCJTUYFXNPWQPI-JOCHJYFZSA-N 437.537 0.438 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1841599853 PMBICDCLTMTHBW-IRXDYDNUSA-N 435.521 0.864 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)n1cnnn1 1847941797 KTLSDFGBOCCHLA-UGUYLWEFSA-N 433.513 0.905 30 20 ICED C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 428854009 AJPUDOLXVFPLCJ-UHFFFAOYSA-N 434.518 0.692 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCN(C)CC1 440386226 FJNCDDBPZROLND-UHFFFAOYSA-N 439.541 0.916 30 20 ICED CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc21 441582515 YFAQPJCDSQBNJO-UHFFFAOYSA-N 436.476 0.594 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 447150526 KGUZSHRWVKKEGV-UHFFFAOYSA-N 437.865 0.812 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 462102660 OXZUUIGHSOJDFC-UHFFFAOYSA-N 431.460 1.295 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 464213202 GPACAUZTFKAUTB-MRXNPFEDSA-N 430.486 0.448 30 20 ICED N#C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@]3(C#N)CCOC3)N2Cc2ccccc2)CCOC1 464449591 TUFGZSPSKPVUCH-ZIIYYELXSA-N 437.500 0.617 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1 477981160 FDUSQCJTUCWZLX-UHFFFAOYSA-N 446.411 0.885 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481776880 JCTDTYQLBDVVBD-AWEZNQCLSA-N 442.563 0.498 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)OC)C2)cc1 494282622 OYHQJCOBEVOMHO-OAHLLOKOSA-N 439.490 0.222 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 498792070 RICOITLWRPTAEU-HNNXBMFYSA-N 434.518 0.011 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504397607 WWDRVDBPOJNBBL-IRXDYDNUSA-N 427.461 0.517 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 505023646 IUZMZJYJSBTJIJ-UHFFFAOYSA-N 426.542 0.271 30 20 ICED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(=O)NCC)CC1 508908989 XDWAVZOGQKBHES-UHFFFAOYSA-N 432.550 0.793 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOCC 522284677 MDMWFDWRZXQRHL-UHFFFAOYSA-N 445.541 0.993 30 20 ICED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 522807372 WJVYLVXJCXDRRA-UHFFFAOYSA-N 434.905 0.085 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 532704115 BLEJZNCIVDGXJC-IBGZPJMESA-N 435.594 0.899 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 538079545 VWDDQQRMHHLMTM-UHFFFAOYSA-N 431.478 0.202 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 538348573 VYDLEUQCOAWGIN-JKSUJKDBSA-N 425.580 0.471 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 538483672 YAMUYDNYVVXENL-INIZCTEOSA-N 448.545 0.932 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 541077536 RRVSNRHDQZWAOJ-UHFFFAOYSA-N 441.509 0.677 30 20 ICED O=C(NCC(F)(F)F)[C@@H]1CCN(CC#CCN2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 551448743 GRQNZMICZRVYMK-ZIAGYGMSSA-N 442.404 0.991 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2sccc2C#N)c1 555923917 QLZUUPONSVZNKH-JTQLQIEISA-N 435.487 0.610 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)CC1 556421692 ZKTYLWJHUBFWSF-LPHOPBHVSA-N 431.518 0.631 30 20 ICED CN(CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 558055740 FRVHNTMZKUUYFE-HXUWFJFHSA-N 441.532 0.081 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 558921103 PYHQXGROVGFAJU-UHFFFAOYSA-N 436.518 0.841 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 559821788 VZBFNFPLMBTYRK-HXUWFJFHSA-N 437.500 0.960 30 20 ICED N#Cc1ncn(CCNC(=O)CC2(CC(=O)NCCn3cnc(C#N)n3)CCCCC2)n1 561308744 BVBAEKUCZFJXMJ-UHFFFAOYSA-N 438.496 0.276 30 20 ICED COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 566871998 QJCBGRQWKWLZQZ-HNNXBMFYSA-N 439.520 0.906 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 573594486 AMYRZSFCGXEIOX-IBGZPJMESA-N 447.499 0.304 30 20 ICED CN1C(=O)COc2cc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 575077542 UQYLAXPSNZHPFV-KRWDZBQOSA-N 447.451 0.769 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCn2cc(Br)cn2)C1=O 576497911 MHSHUQIZKBSABS-CQSZACIVSA-N 426.315 0.787 30 20 ICED CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nc1C 579521106 PUPKNZZXPNCOHX-NSHDSACASA-N 447.521 1.074 30 20 ICED Cc1cc(=NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)[nH]n1-c1ccc(F)cc1F 589026520 OVYVETPVLTWHLI-UHFFFAOYSA-N 428.403 0.745 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 608828847 NAZUMLXHVFEXCD-UHFFFAOYSA-N 438.896 0.900 30 20 ICED N#Cc1ccc(N2CCC(NS(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)nc1 610612454 JSTWEBVVQOQDTK-UHFFFAOYSA-N 427.446 0.650 30 20 ICED Cc1ccc(NC(=O)CN2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 611175695 IVKPXOOHFRMHJM-UHFFFAOYSA-N 435.550 0.486 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CC(C)C 613080528 FILKNZSTWABZNU-UHFFFAOYSA-N 447.513 0.520 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCN(C)S(C)(=O)=O)cn1 726110429 GXHQKJKZDKPJDC-ZDUSSCGKSA-N 430.556 0.252 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 729372314 UOLSNRUMOKHZNH-KRWDZBQOSA-N 434.949 0.749 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 729673418 OIERMTXZPMZNNU-UHFFFAOYSA-N 433.555 0.291 30 20 ICED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCCC(=O)OC)c2=O)cc1 730565545 XTOUJQDNBRTNRM-UHFFFAOYSA-N 427.482 0.915 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 731124381 PRWCAOSOVFZKSI-UHFFFAOYSA-N 434.452 0.526 30 20 ICED COC[C@H](C)NC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830335 HLUCHBRAVIZHBB-WFASDCNBSA-N 445.432 0.167 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 747993519 LXOOPWNXOBKUTR-UHFFFAOYSA-N 446.529 0.398 30 20 ICED C[C@]1(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)NC(=O)NC1=O 748374537 GLEOYDLPBVHQSH-HXUWFJFHSA-N 447.517 0.342 30 20 ICED CCN(CCC#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748822857 ILTBNZMEUOZRAB-UHFFFAOYSA-N 443.570 0.315 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1 749665512 DKTYPGOWMGEJBU-UHFFFAOYSA-N 447.499 0.805 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 756846170 ZSPPMFIYPPAXCE-HIFRSBDPSA-N 435.485 0.526 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 756894106 LNVBRELFVJURQK-PLTNMTJDSA-N 432.477 0.414 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1F 757292483 MBAPBMKRVAEVGY-GFCCVEGCSA-N 426.408 0.950 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 758072427 TUVWOMVMUBMYRK-UHFFFAOYSA-N 437.546 0.556 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2Cl)c1=O 758079980 YKFDSBQAWJPSGX-GFCCVEGCSA-N 433.892 0.990 30 20 ICED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 759716751 DTXMJCUEFOGTNZ-SFHVURJKSA-N 432.462 0.769 30 20 ICED COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(F)cc1 759936604 UFJJQGLAYAKVST-HNNXBMFYSA-N 435.433 0.601 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[S@@](C)=O 766646608 UIROGUNNCWTYDU-DRFCBZPGSA-N 442.563 0.711 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774576611 YYPAYUCRWSHOBK-ZNMIVQPWSA-N 449.533 0.794 30 20 ICED COC(=O)[C@H](C)n1cccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 774588778 VABZAYMPHPXACL-HNNXBMFYSA-N 434.522 0.999 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@@H]1CCCOC1 780617195 QWRFKGRLWCJTLB-HIFRSBDPSA-N 443.547 0.765 30 20 ICED CCOC(=O)COc1c(Br)cc(C)cc1C=NNC(=S)NCC(N)=O 781595007 VSAYZJASRGPTML-UHFFFAOYSA-N 431.312 0.983 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@@H]1CCS(=O)(=O)C1 783479450 KRJBLSPUKIIMQV-LJQANCHMSA-N 446.573 0.724 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)cc1 785339975 NNHBDRJMHFGGNL-RAGBYUADSA-N 448.501 0.746 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785658561 DNRXGQRFOASDOA-MJGOQNOKSA-N 426.473 0.387 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1C 805092371 CPMSKGSONIIJJW-UHFFFAOYSA-N 431.474 0.548 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 856703457 ITCJTQPGHGYJEF-FQEVSTJZSA-N 447.517 0.952 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1CCN(S(N)(=O)=O)CC1 914899559 LYJNMRHWPZROCM-AWEZNQCLSA-N 438.506 0.789 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215398 OBUUJQNIUZNMEH-HOTGVXAUSA-N 441.513 0.849 30 20 ICED CCN1CCN(C(=O)[C@@H](C)OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916604788 QFDNEGLVMPMPMB-OAHLLOKOSA-N 436.534 0.601 30 20 ICED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408320 LHYCQYLHXPCSBY-YOEHRIQHSA-N 440.547 0.020 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1120607966 JBYVOAMQEMLPCP-HNNXBMFYSA-N 429.502 0.575 30 20 ICED Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cc(C#N)ccn3)CC2)c1=S 1248547310 CXJBHZLZPIRBTM-HNNXBMFYSA-N 433.563 0.900 30 20 ICED CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)N(C)C 1302808831 RLUVMPPZTXHOCK-BZUAXINKSA-N 427.575 0.593 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1306245527 PLQCUHVFVJLUAL-SFHVURJKSA-N 435.492 0.706 30 20 ICED Cn1cc(CN2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1 1328274599 UBQFRQNAHVRMOS-IBGZPJMESA-N 435.488 0.841 30 20 ICED CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1559022735 VXVMPDLVIKIOIX-UHFFFAOYSA-N 444.469 0.705 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1611319633 KGWZEMOOTCZJJL-LBPRGKRZSA-N 425.540 0.557 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1611694557 PHEFKPBNGBHHGA-XJKSGUPXSA-N 444.583 0.596 30 20 ICED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1620359089 OIIIFIWUYLSBJF-UHFFFAOYSA-N 435.554 0.566 30 20 ICED COC(=O)[C@@H](Cc1ccccc1Br)NC(=O)Cn1cc(C#N)c(O)nc1=O 1653206933 QLEHHQIKHRSWEI-CYBMUJFWSA-N 435.234 0.484 30 20 ICED Cc1c(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)sc2ccc(C#N)cc12 1661633449 YMBYFJXTQWPPHS-UHFFFAOYSA-N 442.588 0.937 30 20 ICED CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1709448607 MPJAOWNYHGRRJM-JCGIZDLHSA-N 444.533 0.604 30 20 ICED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1711268198 JXEILXLEBPDWED-UHFFFAOYSA-N 427.494 0.075 30 20 ICED CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1768015057 QZXWIJSOWKZCGN-HOCLYGCPSA-N 434.522 0.959 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1770346140 ZXMOUZFKHHOXIA-IBGZPJMESA-N 432.506 0.050 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CCO1 1771537763 VBMDQKJDLBWUGL-IUODEOHRSA-N 434.403 0.901 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779107052 RFRYEZCYQNMKCP-FBWGCAEPSA-N 432.477 0.689 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Cn4cncn4)C3)C2)c1 1779220924 LFPQBJYBWQQOSS-KSFYIVLOSA-N 438.488 0.938 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=C)CC(=O)OCC)C2 1779535323 PNSHFZIFHGEFEB-DRSNIGMVSA-N 435.521 0.700 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1 1780409091 TVHNLOMISBPMBA-DRSNIGMVSA-N 439.472 0.284 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 1780880976 TVDYFXAYEJNZQO-OXQOHEQNSA-N 433.392 0.949 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781398056 KMHZDKAUCVNHRT-QRWLVFNGSA-N 449.464 0.387 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)[S@](=O)c1ccccc1 1782015363 MWCYOPLIVQSMBI-CGNKHZFHSA-N 446.525 0.785 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194960 SYUUIZXUNVFVPO-BDNZGDGKSA-N 437.456 0.997 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118026 HJRCLGCFWOJWSN-ZDPZECHZSA-N 432.521 0.983 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783399604 GCWIEMADDWZESK-OAQYLSRUSA-N 439.509 0.850 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4cccnn4)C3)C2)c1 1784458032 DYKNOYNTHYAISG-JOCHJYFZSA-N 437.456 0.879 30 20 ICED CO[C@H](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 1784786914 CKEILXDHVBICCH-IMPIEMTGSA-N 438.525 0.808 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@H]4CCc5nc(O)nc(O)c5C4)CCO3)C2)CCC1 1785362753 KAWSHBGNVSAIJV-RCDICMHDSA-N 441.488 0.516 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1785571475 BTTHJXUONMAKCC-OPAMFIHVSA-N 443.504 0.837 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1788629848 HWAOTISNMOZLPK-LNLFQRSKSA-N 443.500 0.378 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1788638074 QCMCYQGVRGTONS-KFGODFMUSA-N 444.550 0.415 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]3C2)n1 1789955052 DLZYWYRDIHZHAS-DFEOGRTESA-N 435.525 0.924 30 20 ICED C=CCC(=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 1791276394 HSYLFMFOCIAWGW-AVEIZBFRSA-N 437.537 0.770 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792133276 ZBWANELKCNONLR-QAETUUGQSA-N 449.508 0.038 30 20 ICED O=C(COc1ccc(O)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792779279 FFBHXDKDEOKMJX-INDWTEBFSA-N 447.488 0.890 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835641 QAOHNHQCPYVKRM-OPVJXMOQSA-N 439.578 0.075 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794116790 FYAWMZPXPIQAEJ-CXHZTBPHSA-N 435.546 0.641 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(C)n2)cc1C#N 1794594116 AIWOAAASHTVCRC-IZZQQSIFSA-N 438.488 0.991 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1795598489 IANJXIHHZVHYPZ-JLVBRIDZSA-N 428.537 0.774 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1795961889 HXZSBECBTJEOQA-QKPAOTATSA-N 449.556 0.695 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797368615 UHYHFWQWFATXGZ-UPHUGPLXSA-N 446.467 0.883 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797838563 BJHPFXNGZFEBHJ-COHUGYILSA-N 429.477 0.445 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)[C@@H]1SC(=N)NC1=O 1797838713 QIAGWLUTTZHCTN-PUVOBFTMSA-N 447.517 0.091 30 20 ICED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883470 LSDOPNADURVVKI-CCWDJLKJSA-N 427.461 0.301 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c1Cl 1801067994 YPQWFAUJFAVZKK-FIIQBIKZSA-N 430.892 0.941 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1801765290 PDXZZASYLDZFQM-VQIXPAPJSA-N 442.516 0.167 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)n1 1801981189 RJGQEGVRBHDEBF-YWVIFJGQSA-N 429.433 0.895 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1803560607 MTQUWIPFVLQHCZ-YLJYHZDGSA-N 446.504 0.613 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1808406446 DXMILROSIUWKCE-UGKGYDQZSA-N 444.557 0.926 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813132973 BIDWXRQSSKVWGX-HQRMLTQVSA-N 440.548 0.895 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819889560 HUELLPUJOHVKOK-VFVRVIDISA-N 439.538 0.507 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1819898114 HHOKMKUDPURJNO-AYLFXWCKSA-N 433.494 0.876 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)n2cnnn2)n[nH]1 1822849891 AAOLKIBZYACVSO-CEKUCVKPSA-N 427.469 0.508 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3c(c1)CCNCC3)CC2 1825670349 ALLOYKIEVGJYES-AWEZNQCLSA-N 439.497 0.540 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968456 RPGNYSGSKUZYJE-PDIODNDMSA-N 449.596 0.728 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830859524 LISRQMSNEUNGDP-GGAORHGYSA-N 429.517 0.964 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831397198 VIMKZZHOKJCVTA-XXBNENTESA-N 432.517 0.180 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831406821 GSGXYJQDPZFQIW-LJQANCHMSA-N 428.555 0.442 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3(COC)CC3)CC2)CC1 1833459799 QUERNRVDXVQFDM-PLNGDYQASA-N 432.565 0.843 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1833865192 SQIPWRZQOGNOBO-MGPUTAFESA-N 437.497 0.300 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834668266 FJILFHYGWFNSDE-GOSISDBHSA-N 437.585 0.986 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CCN4C)CCO2)C1 1836570092 PEQJWVZTEYQZSC-MHECFPHRSA-N 441.528 0.787 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268052 BINUNIGNZGZWME-NRFANRHFSA-N 434.541 0.768 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1837394903 KYDQIOZYTIXVSM-KKSFZXQISA-N 436.509 0.072 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837488779 RCDSSLXFOLQMHE-HSZRJFAPSA-N 427.501 0.850 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837525738 YXDXUHJTSGOMEX-HFSPCEDCSA-N 449.508 0.177 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837531287 HLPQQRHWCYXEAH-KDGIGMFRSA-N 445.476 0.485 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n(C)n1 1838732358 LYILUNPTZLQYKK-FQEVSTJZSA-N 428.449 0.012 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1 1838761713 LRRFXRNLXVGFFI-NRFANRHFSA-N 430.509 0.797 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105953 QCZAKJYAHPAQMR-DBXWQHBBSA-N 442.626 0.033 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839715994 IRUJFKKMBXGMNX-QFIPXVFZSA-N 441.463 0.973 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)c1 1840712257 BQGYUQALJSJZAY-SEPYTNNBSA-N 442.516 0.895 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCS(=O)(=O)NCc3ccccc3)NC[C@H]2C1 305023304 OKTUZOFKFFUOKJ-KRWDZBQOSA-N 437.566 0.987 30 20 ICED CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC#N 427870614 VQQIVWNNHOZCCI-UHFFFAOYSA-N 437.522 0.522 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS(=O)(=O)C1 433159588 MNOBVNZZPQTRCY-OAHLLOKOSA-N 447.517 0.821 30 20 ICED C[C@@H]1CC[S@@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433171994 CURMXVJRVJROCB-WVDZOPJMSA-N 438.575 0.234 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 433646195 GILQKBPSWUZHNI-UHFFFAOYSA-N 439.494 0.975 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCOC1 441928720 ZWLHIGJPTGWELS-INIZCTEOSA-N 427.526 0.984 30 20 ICED CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 475383291 MAHPXLXHZMGVCL-HRAATJIYSA-N 426.477 0.819 30 20 ICED COCCOc1ccccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 476688177 BPVJETOYNKYIHL-UHFFFAOYSA-N 440.504 0.590 30 20 ICED C[C@@H](O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 476871054 WDAZERWZNOBWNB-IAGOWNOFSA-N 434.562 0.872 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)c2)CC1 479880818 AUILJYVTEGRMKG-SFHVURJKSA-N 447.561 0.505 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480157895 VTKDBKFCGLAVIL-OAHLLOKOSA-N 428.470 0.636 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1F 481008295 GMTAGYDCZHLIMF-UHFFFAOYSA-N 446.460 0.973 30 20 ICED C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 481766181 KZTMJTLLJUIWIO-HNNXBMFYSA-N 429.495 0.553 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 491051058 NWFQAXAYGJOFFZ-LJQANCHMSA-N 430.505 0.629 30 20 ICED C=CCc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(OC)c1 494097917 ZTXIZHYLMHEXHL-UHFFFAOYSA-N 431.489 0.332 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 500272556 ZLIOWDBSIVTBKR-UHFFFAOYSA-N 439.501 0.467 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 507497933 ZPGNGZNUCOJAIS-UHFFFAOYSA-N 437.459 0.557 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508689552 RURCYZWXYXTNDQ-UHFFFAOYSA-N 426.456 0.737 30 20 ICED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508907770 OUWOJYNRMGLMOQ-YESZJQIVSA-N 440.570 0.444 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCN1Cc1ccccc1 512610870 FTPLOFRBWICFLG-PMACEKPBSA-N 449.577 0.894 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 521388912 MALSIZUOEPRPKM-UHFFFAOYSA-N 448.545 0.980 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)C1=O 522250912 OOLOATFALSHFPW-UHFFFAOYSA-N 431.430 0.955 30 20 ICED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1)C1CC1 532927502 YQFZVNWVLQMTDN-LJQANCHMSA-N 432.506 0.383 30 20 ICED Cc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 533813312 ZGSYCPMCSVOFMZ-UHFFFAOYSA-N 443.533 0.139 30 20 ICED COCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 539503284 LPOFFIJKPODENZ-CYBMUJFWSA-N 438.448 0.283 30 20 ICED N#CCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 553654917 MLCAVAMHDSXULI-UHFFFAOYSA-N 428.430 0.439 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)nc1 557235331 AEGVRZVDWFDAFF-LJQANCHMSA-N 432.484 0.519 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)c1C#N 561280134 HZIWVJBCTDCNGP-AWEZNQCLSA-N 441.458 0.249 30 20 ICED N#CCNC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 561394554 WSAYHESWJWWMRA-UHFFFAOYSA-N 430.442 0.628 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 569897470 XODUXYAQDFPVPH-UHFFFAOYSA-N 436.946 0.672 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 573412176 FAINIYSTAWVPOL-QGZVFWFLSA-N 442.497 0.633 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 573868058 YYNDSXHPNPCSSQ-MRXNPFEDSA-N 436.534 0.634 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1nnnn1-c1ccccc1 579301534 ZWVYWBLAWVDRBY-UHFFFAOYSA-N 428.416 0.678 30 20 ICED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1C 589785178 PMSPVIGMCMBYNR-UHFFFAOYSA-N 445.545 0.700 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 604139220 NAUZZEYMBBIPMG-UHFFFAOYSA-N 446.460 0.973 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1=O 685030941 OWVXLVZIIABODZ-SFHVURJKSA-N 427.505 0.258 30 20 ICED N#CC(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(C(N)=O)cc1 726577577 SHDABZVFSDGEGB-UHFFFAOYSA-N 430.445 0.796 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726584663 IQQQKGYNGCJWOE-QGZVFWFLSA-N 426.521 0.812 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 728535037 WAALPTPTTBGBNR-UHFFFAOYSA-N 448.589 0.543 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 730730237 UGUOZJMYRUXNOT-GFCCVEGCSA-N 429.462 0.587 30 20 ICED COC[C@H](C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733714724 JOIMQYSOELVGRI-ZDUSSCGKSA-N 431.536 0.766 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034100 CZRXADLXPONRAQ-HUUCEWRRSA-N 435.502 0.819 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)nc1 741095789 RAFWDBLUGXAXQG-UHFFFAOYSA-N 446.464 0.700 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 743726664 SJVQYSFMVAXKHW-UHFFFAOYSA-N 437.462 0.097 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H](O)c2ccccc2)CC1 747834631 OPURUEBMPVXBOU-FQEVSTJZSA-N 443.481 0.668 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 757057283 CMFLQNKJNAJAEL-WNSKOXEYSA-N 445.483 0.779 30 20 ICED N#Cc1cccc(-c2cnc(CNC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)[nH]2)c1 768888758 LSPYYBGIVRUFTO-HNNXBMFYSA-N 440.485 0.730 30 20 ICED C#CCCCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773617351 SXHLORAPFOQMNB-UHFFFAOYSA-N 431.536 0.894 30 20 ICED C[C@@H]1CC(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)NO1 777435846 MJFUKECZRYPLRE-CQSZACIVSA-N 438.506 0.396 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 777953967 UOLPZISNCSFZKN-UHFFFAOYSA-N 428.442 0.188 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 783455358 RDEHERVWZLZBHN-UHFFFAOYSA-N 432.440 0.588 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3cccc(O)c3)CC2)o1 785703604 WVLJMMJSEMTOLF-UHFFFAOYSA-N 427.417 0.182 30 20 ICED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1=O 793987598 UHYXPHBJHIERLN-GOSISDBHSA-N 431.559 0.266 30 20 ICED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(N2CCOCC2)cc1 803298244 RRUILDOTRFOHMN-HNNXBMFYSA-N 439.520 0.969 30 20 ICED CN(C)c1c(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)c(=O)n(C)c(=O)n1C 807962409 KVXLGDNKDIYMDH-UHFFFAOYSA-N 449.537 0.212 30 20 ICED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 812078716 KZTXMWVMHSIKQC-OAHLLOKOSA-N 425.497 0.537 30 20 ICED Cn1cc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)nc1=O 917009901 BYDBSORCCYJBQU-CQSZACIVSA-N 426.389 0.065 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917761022 NBIBSHBKYIYWLL-CQSZACIVSA-N 431.562 0.925 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)S(C)(=O)=O 918564813 JHDQKGFDJAGBHQ-HNNXBMFYSA-N 444.579 0.538 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(n4cnnn4)CCCCC3)CC2)cc1 1290636475 NKRNCNNJJCZKQM-UHFFFAOYSA-N 429.506 0.737 30 20 ICED CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1302614483 WYRHVJMSGSSCSP-LSDHHAIUSA-N 441.579 0.821 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1360249015 ZPHIRMWPDIIDID-KRWDZBQOSA-N 425.493 0.804 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CCO1 1508378212 PYJZAGHANBFIBX-SFHVURJKSA-N 425.493 0.683 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c(=O)nc1O 1567216880 VHINWSYZASWQDG-UHFFFAOYSA-N 444.879 0.647 30 20 ICED COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698032292 ZZOSLNQQZONRRN-IBGZPJMESA-N 440.552 0.953 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1712454320 LRBWIJNYXHISOR-MRXNPFEDSA-N 438.510 0.619 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771537611 REWGIOIAVSGUKA-VQIMIIECSA-N 435.481 0.286 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778426712 TZZRQVLEBZZOQN-YLNCNTMDSA-N 435.484 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778538568 XZXGHEVTMWZZFD-QJKPHDSHSA-N 441.463 0.775 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1778968381 RLNAYMZVZFTSRX-VGSWGCGISA-N 432.521 0.538 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780448262 YLJAWTOWHMSLEU-QJKPHDSHSA-N 444.488 0.401 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1780738487 KRYZTWRPIAATDI-IIBYNOLFSA-N 432.477 0.819 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1781270386 KMRRRBWSLRZYDJ-QGZVFWFLSA-N 436.383 0.431 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1)n1cnnn1 1783444162 WKQWBUYUBWGYGW-TTYHFUOFSA-N 437.504 0.718 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783917594 VRAHJOXRJWEJDL-WDSOQIARSA-N 443.935 0.511 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H]5CCNC(=O)C5)C4)C3)c2c1 1784040978 UDFCJABPBZBDDN-OYHNWAKOSA-N 436.472 0.404 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1784995821 UCHHZVGQBMUONC-ZAQGJOAASA-N 446.548 0.227 30 20 ICED Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1787185003 MDCPFUWAGBVARB-QRTARXTBSA-N 434.460 0.768 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787397013 KZPKPRWGIKWMOD-DKIMLUQUSA-N 448.593 0.274 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@H]32)c(C#N)c1 1789842630 HXUOPNPXDMAQGB-YEKYASBRSA-N 439.512 0.981 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790606878 RFSLVKHFTJJWKY-QAETUUGQSA-N 438.525 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)sc1C)C2 1792484681 WUDJYUPLDWXMOR-PFIYSYJPSA-N 432.546 0.750 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1COc2ccccc2O1 1793265971 KUCAZMPDNHJHPB-ARNOYJHMSA-N 428.485 0.844 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793310181 QRMQNLDLEYACEK-XUMLPFHTSA-N 448.545 0.018 30 20 ICED CC(C)(C)OC(=O)NCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793637995 XGRMQADIPKAUQN-CCWDJLKJSA-N 437.493 0.359 30 20 ICED C=CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)NC(=O)OC(C)(C)C 1796034714 ZLGMDMRQMHNFGC-IVSAIRAKSA-N 448.524 0.867 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796423127 NCTHUSRWIQNKIR-XQZGEAEESA-N 428.580 0.333 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cc[nH]n2)n2ccccc12 1797319425 DKRRJSZYJXVBBQ-YEZVWNJWSA-N 447.451 0.621 30 20 ICED NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797742884 JAXKFRHWMVFPKV-CEFOWJICSA-N 427.505 0.460 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799153698 WOFOQHUUTYPNMX-JUMAPTCESA-N 433.549 0.960 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1799302518 CNERVJUCYUSVKC-UPHUGPLXSA-N 435.521 0.488 30 20 ICED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1799968315 ZOHGWTSXWDBKAR-BURNTYAHSA-N 430.593 0.959 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1 1801764983 GXOQATKAPBVHMP-DEYWJSPQSA-N 426.473 0.969 30 20 ICED C#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)C2 1802125293 SAJWSTKALHTERP-ILOCAZANSA-N 437.537 0.510 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1803245352 RBOJXDKZYNMEDL-LMMKCTJWSA-N 430.505 0.996 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1803563793 NUPJSVWCVGCDDJ-IDHHARJASA-N 429.477 0.230 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810351672 NWJVXPBVGMXPLP-NSAZKJPHSA-N 447.536 0.539 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810558925 IZHPDQYLXDDLJZ-XLNTUCKNSA-N 430.505 0.277 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813044966 GFFYRAUTTDTCFS-UZLBHIALSA-N 433.472 0.936 30 20 ICED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)n1cnnn1 1817319290 ANXDFCNTXAGELA-ZFWWWQNUSA-N 428.501 0.931 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1819716137 FYVYYIAQPRFYFY-ZWNOBZJWSA-N 438.506 0.171 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1829765567 ZSKVDIFIIIBSGX-LXHZQTKUSA-N 446.479 0.078 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)ccn3C)C2)C1 1829768617 CECMVXBKYZUKPZ-QJKPHDSHSA-N 430.505 0.262 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829899120 UFMBMUGJJBGDNA-QHCPKHFHSA-N 437.500 0.762 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829900483 FWWPQFMJLZAJPH-QFIPXVFZSA-N 429.473 0.510 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470477 WYANMONVZRUMSN-IIBYNOLFSA-N 433.892 0.282 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1830645700 CJKXSFNTALKXBT-HXUWFJFHSA-N 428.551 0.646 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1831413788 IEWLTLDXMMMOKH-JOCHJYFZSA-N 432.521 0.848 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831425256 ATOTVZMDBMJYCO-DYVFJYSZSA-N 438.399 0.139 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)[C@@H](C)CC)CC2)CC1 1833074422 OACPRBSRWOOOFS-WJBDPIGGSA-N 434.581 0.823 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835674731 FQFPOCKHMZVCSJ-JOCHJYFZSA-N 446.552 0.238 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677239 CNAWFGYFCPZUCQ-QFIPXVFZSA-N 447.536 0.513 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NO[C@H](c3ccccc3)C1)CCO2 1836585892 GSBHJCJYULGOHF-AVRDEDQJSA-N 441.440 0.048 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866688 KDBCZUYMULVIIK-FXAWDEMLSA-N 433.534 0.754 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836901334 DTZUVCNBWCHYMS-KRWDZBQOSA-N 435.525 0.375 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837045562 ZPDAANCYGUSPMU-YWZLYKJASA-N 432.502 0.504 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160584 QGGQVKOHWBBYMH-XXBNENTESA-N 442.516 0.977 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837233552 CRNLZXWZZLVUNI-WKRVVKTRSA-N 447.557 0.716 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)N1C[C@H]2C[C@H]2C1 1837284540 WWPVPTPEUIAALG-XBZNOJLSSA-N 437.540 0.835 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1837399219 OIEBPTDHTRFSEE-IUKKYPGJSA-N 446.548 0.912 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440439 IXVGMEPTVMWZGU-CFFCXZSUSA-N 426.583 0.869 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1837487081 WENURBHKJLFCQW-XMMPIXPASA-N 447.576 0.483 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)nn1 1838350321 NZUPUTOAPVZVLJ-QFIPXVFZSA-N 437.456 0.741 30 20 ICED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1838580106 FLTVKRQVLFDFMC-RXVVDRJESA-N 426.517 0.893 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Br)c(O)cc1F)CCO2 1838606901 BRYHIBWZYRMWKD-GOSISDBHSA-N 441.253 0.997 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732244 JIVCGYNAZYZCFO-FQEVSTJZSA-N 428.449 0.012 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nnsc4C4CC4)C3)C2)c1 1838736108 JUAPTELCSDGHIB-FQEVSTJZSA-N 442.501 0.999 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839174172 JYYHUCSVAHHFCH-NRFANRHFSA-N 434.493 0.308 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2nccn2)CCO3)c1 1839235423 USGNBAYGELERMR-JOCHJYFZSA-N 438.488 0.239 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1839362792 PVCUJBDXQHELRI-JOCHJYFZSA-N 437.456 0.632 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839516531 YNOQVEZPZWOFQY-QFIPXVFZSA-N 448.520 0.718 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1 1839633972 YRPRZLRGRBGBID-WMZHIEFXSA-N 439.516 0.759 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCO2 1840038588 MEPUXKYCNIFLGP-VGOFRKELSA-N 435.521 0.723 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840172010 LNGVETVCWGIDMG-SPLOXXLWSA-N 432.477 0.025 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840842519 LGOBVFANQUHBGL-FQEVSTJZSA-N 431.880 0.866 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846459426 YASSAUVTQFLKSV-OAHLLOKOSA-N 446.504 0.584 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453790 RVDWHQGXXCANGI-UHFFFAOYSA-N 448.526 0.661 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 29081070 CTCQEGHVOVHKOI-UHFFFAOYSA-N 441.517 0.790 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCO1 410163090 WIWQRQUFPUKRKJ-CQSZACIVSA-N 448.592 0.524 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)CCO1 410403640 SOGOBNUWIHYSGZ-QWQRMKEZSA-N 431.478 0.349 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 430388013 XBKUVNIZYKFFLK-CTNGQTDRSA-N 434.581 0.877 30 20 ICED COC(=O)C1(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 432032427 MKIYVZLUBNUNBC-UHFFFAOYSA-N 448.545 0.809 30 20 ICED N#CCCn1ccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 438314592 IMBFZHSQJQTKMO-INIZCTEOSA-N 425.497 1.214 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-c3ccccn3)c2)c1=O 439069114 SPZOJKLHEZBGCE-UHFFFAOYSA-N 432.505 0.871 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441942873 RBJRIEBSVHUKIY-HNNXBMFYSA-N 442.566 0.420 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 442141160 SYAJZBRDCLBJAG-HNNXBMFYSA-N 444.879 1.123 30 20 ICED CCc1c(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cnc2c1c(=O)n(C)c(=O)n2C 461317235 WUFPSODNFRWVCT-UHFFFAOYSA-N 444.455 1.208 30 20 ICED Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472862058 KQCWJLFEDJZOCF-UHFFFAOYSA-N 437.504 0.898 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1 476278409 RRMBDSHXHMBBKB-LEWJYISDSA-N 426.517 0.999 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2-c2ccccc2C)c1=O 478855194 ZSEOWBNLUYRRIM-UHFFFAOYSA-N 437.525 0.690 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(C)C 479401784 YOLHXPLZDSRPSC-CQSZACIVSA-N 430.530 0.624 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)cc1 482904306 UEQKPESBNYIUGE-MRXNPFEDSA-N 426.520 0.151 30 20 ICED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1 489060767 DYTRODUBBKXWHZ-UHFFFAOYSA-N 440.569 0.522 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2OC)C1 489209398 SVJVTWGNAFYKDO-INIZCTEOSA-N 425.507 0.845 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)c(F)c1 502202862 LNKVAJAOICHSBF-UHFFFAOYSA-N 441.554 0.908 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)o1 502730570 JZOKOYFHXSDTBK-ROUUACIJSA-N 445.497 0.958 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 505965599 JWWDRLNUDVOWNT-KRWDZBQOSA-N 431.537 0.894 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 507286826 RDSLSDOYDGQPSV-UHFFFAOYSA-N 427.530 0.687 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 507791205 ZIYVBWPGUUVONL-UHFFFAOYSA-N 429.477 0.880 30 20 ICED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 516146794 ISPZXXCHZUKFOH-HNNXBMFYSA-N 428.532 0.951 30 20 ICED Cc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 517480572 MEEPQKKLDKIHJH-CQSZACIVSA-N 428.536 0.198 30 20 ICED Cc1nn(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)c(=O)c(C#N)c1C 521799151 CEQBRSZNFDTARF-UHFFFAOYSA-N 443.508 0.922 30 20 ICED CC(C)n1cc(C#N)c(=NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)[nH]1 527344783 PHCCFFGIFGZDKK-UHFFFAOYSA-N 447.503 0.566 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)co1 533756277 PZCAYYWONFCWLC-ZDUSSCGKSA-N 427.446 0.953 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 538104489 GWWISHVICYUYPH-FCJAZMSBSA-N 430.465 0.901 30 20 ICED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538349461 UYRSFCHYIASWHM-TZIWHRDSSA-N 432.496 0.780 30 20 ICED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 555038741 BATNJUWVOSLLOQ-KRWDZBQOSA-N 438.536 0.952 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 556031394 RYDPILWAJOVLHM-UHFFFAOYSA-N 427.465 0.408 30 20 ICED CS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 556571271 DSGGDHUKGPZZLR-CYBMUJFWSA-N 433.465 1.105 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(-c3ccccc3)c2)c(=O)n1CC(N)=O 559446407 AIDFYTZJVOUUJQ-UHFFFAOYSA-N 444.516 0.844 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)c(F)c1 561782600 FRBBIQGKEMXXHP-QGZVFWFLSA-N 437.479 0.921 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 576509028 PWBVQBSIQHBDRJ-PZJWPPBQSA-N 442.541 0.836 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)CC2)c1C#N 582931091 HICPRHSPIOOJHQ-YWZLYKJASA-N 432.550 0.420 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)n1 588159256 HEKHOXROZSEOLO-KRWDZBQOSA-N 447.499 0.096 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2F)c1=O 603792933 PJWVRTQLTDZGBI-UHFFFAOYSA-N 442.516 0.186 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C 609220171 LKWRDQOQJDJBKA-UHFFFAOYSA-N 430.505 0.475 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 609813262 PIQPHSZMBNIYCP-CQSZACIVSA-N 428.367 0.801 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 609823540 ZEMLDRBSSXCIQH-UHFFFAOYSA-N 432.484 0.941 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1Cc1ccon1 611492468 KVCFSFRDTONUBO-UHFFFAOYSA-N 429.389 0.242 30 20 ICED CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cnn(CC)c1)S(C)(=O)=O 726113029 RFAVSKRMGXDJAQ-AWEZNQCLSA-N 444.583 0.642 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727222146 UUFBDAXWMNFBHL-SNVBAGLBSA-N 439.270 0.444 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(F)c2)CC1 729372415 WXEIDHRNEBBBJV-UHFFFAOYSA-N 429.233 0.938 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 729503523 VIQNIZOWWOOHKS-HIFRSBDPSA-N 444.531 0.342 30 20 ICED COc1ccc(C)cc1N1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910426 PHWWEIDTEZWCKS-CABCVRRESA-N 433.486 0.322 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)C1=O 751128443 NMBODDPIWVSPJC-UHFFFAOYSA-N 449.363 0.904 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 751547150 ILGKLHXIUCJUGR-IBGZPJMESA-N 444.513 0.880 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](C#N)C1 754388397 HXTPAKFFTKQQTR-SJORKVTESA-N 435.525 0.139 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 760135834 ZDUHAWFGSJYAOK-CVEARBPZSA-N 445.524 0.904 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(C3OCCO3)s2)CC1 761814564 CTMNXURFHJFQEL-UHFFFAOYSA-N 438.535 0.966 30 20 ICED COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccc(C#N)c1 762940820 IKSQUJCWHOXTAE-PXAZEXFGSA-N 445.453 0.781 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccn(C)c2)c1=O 763467986 ZSSDICCCHRYTGT-UHFFFAOYSA-N 446.488 0.794 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 766366210 SGMJXJVKIYKURI-GOSISDBHSA-N 446.529 0.081 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CCOCC3)C2=O)cc1 767399656 XJCMXRYJQGROHO-LJQANCHMSA-N 430.417 0.357 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCn2c(Cc3ccccc3)nnc2C1)c1cc[nH]n1 772301232 CMSUYDUXRNUQNJ-UHFFFAOYSA-N 437.460 0.918 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)c(F)c3)c2=O)cn1 772304617 ZOLBQGNJNYKBJW-UHFFFAOYSA-N 425.445 0.593 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CCCC#N)cc2)C[C@@H](C)O1 776123081 WWUAGASPNAOABB-ZIAGYGMSSA-N 429.520 0.848 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 780352154 NGAQBSLXXXHUQK-INWMFGNUSA-N 426.429 0.938 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nc12 781897432 HZWPEPVLDPSRKD-UHFFFAOYSA-N 440.441 0.869 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 783351497 WYMNOWPNPZEYEG-GOSISDBHSA-N 435.502 0.761 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CC[C@](F)(C#N)C2)cc1)S(C)(=O)=O 786135833 NVNVEBVOQODECS-INIZCTEOSA-N 448.498 0.438 30 20 ICED COc1nc(Br)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 789594940 QJURLNXXEZCBEX-UHFFFAOYSA-N 440.298 0.866 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ncnn1C 789615711 ZSUXGWFVDRNZHI-RDGOFQKVSA-N 433.494 0.444 30 20 ICED COCC(=O)N[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C 790842668 YTHLRRXPWJZMEC-AWEZNQCLSA-N 432.296 0.913 30 20 ICED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 800905436 XUNVSXJIYOXZIX-UHFFFAOYSA-N 441.575 0.867 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801506729 UIVZCHDCLKPGGG-CYBMUJFWSA-N 441.481 0.526 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 803447694 XODOJLWBLBFWLK-CYBMUJFWSA-N 441.453 0.150 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)N(C)C(C)(C)C#N)CC1 805048250 JSPFYMMWKNHMEW-UHFFFAOYSA-N 426.495 0.996 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cn1C 808556608 MVXQEUMMQFHUAG-UHFFFAOYSA-N 436.450 0.003 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n1 810409614 TVTFALODKRXHTE-UHFFFAOYSA-N 449.393 0.995 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 811041904 DCRYLFKMRLHKFF-GOEBONIOSA-N 433.490 0.712 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 812496339 CHOZHBNWEHYUNG-UHFFFAOYSA-N 428.352 0.688 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3ccccc3)CC2)o1 915363947 GRWNEAUJZCPCBW-AWEZNQCLSA-N 425.445 0.865 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C(=O)NC)c2ccccc2)c1 919020988 RYMANVUSTFDGMU-IBGZPJMESA-N 443.481 0.358 30 20 ICED N#CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919987650 ZWAKBNSHROXQIS-AWEZNQCLSA-N 443.572 0.577 30 20 ICED CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288244032 ROEQKCNJQKBNPE-MRXNPFEDSA-N 437.508 0.347 30 20 ICED CN1CCN(C(=O)c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1318516137 IXJOXZXNWNKSAJ-VXPUYCOJSA-N 440.504 0.400 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1=O 1318683198 GLWZYPZTRKRIGP-UHFFFAOYSA-N 433.852 0.993 30 20 ICED Cc1nc(C(=O)N(CCC#N)CCN2CCOCC2)nn1-c1n[nH]c(C(F)(F)F)n1 1322260343 JJOFMUMEBWOOGN-UHFFFAOYSA-N 427.391 0.401 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516973860 ZNRPUFBUDRALDO-GOSISDBHSA-N 434.504 0.994 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1547254637 XUFRACSKYVRTCW-UHFFFAOYSA-N 425.493 0.638 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692856321 WRNJBCHIANPRMW-YWZLYKJASA-N 428.518 0.953 30 20 ICED CN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1696589257 WUBSUISXYNDTHZ-HNNXBMFYSA-N 431.884 0.678 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1728685030 ZBBSMEAFULBNQW-MRXNPFEDSA-N 441.521 0.512 30 20 ICED CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1741093924 RNSXNCRIWZWCBK-KRWDZBQOSA-N 445.549 0.718 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1747427340 NHUNHQQVFQLECL-CABCVRRESA-N 446.599 0.590 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1768888835 JCWGNRAYZCRWHQ-OAHLLOKOSA-N 447.517 0.622 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778414841 GGXKZBXPCWGSDL-CWZGJQGVSA-N 442.476 0.930 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1778908753 IDOIZWHYHYWVCD-NYPGBQQYSA-N 447.561 0.640 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779099243 CDKHWQLEFUYTDS-KRAMAXKOSA-N 433.509 0.859 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)Cn3nccn3)C4)c2c1 1781206831 IZHPMAVPRUVDSW-XMSQKQJNSA-N 448.487 0.854 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc1Br 1783563465 RMPTUGJWKXGESZ-IBGZPJMESA-N 446.257 0.852 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785516760 HETVXICSQGRWSN-SZMVWBNQSA-N 430.505 0.757 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCC)[C@H]2C1 1786503916 IZRIRSWJGYOWKN-XSLAGTTESA-N 437.537 0.919 30 20 ICED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)C(F)(F)F 1788602286 XFDUOVLHUDKQBS-NUFGDBHXSA-N 434.459 0.751 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnncc4C(=O)O)[C@H]3C2)c1 1788889484 SIDIGZYKBXHHST-SNRMKQJTSA-N 435.440 0.954 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4C(=O)C=CC4=O)C[C@@H]32)cc1 1789571902 GCNYHQIQGHILFD-FHWLQOOXSA-N 436.468 0.467 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)c(C#N)c1 1789972037 OBKDDZNTSLZWCN-VDGAXYAQSA-N 438.488 0.381 30 20 ICED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)c3cc(=O)nc4cccnn34)cc2)CCC1 1790031272 VIXRYLYUPXTLNG-UHFFFAOYSA-N 431.408 0.925 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)Cn5ccnc5)C[C@@H]43)c2c1 1790327835 JNQFXGOZYCINLG-IEZWGBDMSA-N 433.472 0.925 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1790829195 HRQURDSBSVTXJV-DRMAHVMPSA-N 429.521 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)nc1OC)C2 1792490183 NPVQKQBNMYSAQJ-XJPXHFRYSA-N 428.489 0.460 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)c1 1793613419 XQQAOVNOZAMBSH-USGNIVHTSA-N 440.431 0.216 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)cc1 1793956342 PHRUAKWCCIMOPB-JHDGKUDLSA-N 447.495 0.515 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(=O)oc2)c(C#N)c1 1794994919 AQZOFKGWBOVUCR-OPMZPASUSA-N 437.452 0.966 30 20 ICED O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795760478 ZGBQVOZQRBSBGT-CWPLJXCYSA-N 434.924 0.825 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797740436 JKNCHDVZXQSMGF-NWIFUHBESA-N 447.561 0.539 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1797811391 MGCBBMVZEBFYAA-OLFZTZOJSA-N 433.408 0.215 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799188729 MUBKCCZCJXRIBJ-MUJYYYPQSA-N 437.504 0.623 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1Br)C2 1800774329 JAXACMXSUSFVPU-YQYWCBKUSA-N 439.237 0.879 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)c1ccc(O)cc1 1801056112 XTAUZYOMQLRQAQ-GOBLKYCHSA-N 441.484 0.587 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC(=O)C=C)[C@@H]1c1cccnc1 1802484684 WUCFALGXZSWDIU-QGDHWXTGSA-N 439.516 0.637 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803603656 JXTVSBCIHNKTRX-ABFRBSLYSA-N 433.534 0.640 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1804173426 QUKWHSWIYKWMPI-CRAIPNDOSA-N 442.478 0.731 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355212 MJEZYTNOWGPCNS-OXJNMPFZSA-N 431.456 0.546 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807708022 QTRIQCMVXGTGKC-LXZJYRNTSA-N 430.505 0.320 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1808454471 HFZFIAIBGXNPAQ-CGBFIWBNSA-N 430.505 0.320 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661526 NSSZBTIJMUCNAC-HNNXBMFYSA-N 431.470 0.516 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1810793678 GOLJBVOXALHBNM-SIXWZSSISA-N 437.456 0.928 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1813335473 DPYPRLVSUUJUMN-YFVAEKQCSA-N 437.504 0.862 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)n1 1822200859 PGQVBLVSENLUHX-OAHLLOKOSA-N 440.460 0.790 30 20 ICED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1823664163 VQBOPIMPAIJVJZ-SMDDNHRTSA-N 444.492 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1829770380 MLVKRGOJJGQGCZ-HZQHCPKGSA-N 449.895 0.058 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(O)c3)CCO2)C1 1830243644 UBWDZWJFIBJSLY-UZUQRXQVSA-N 448.516 0.991 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1832452762 GQPYVRSDDKFPAU-LPHOPBHVSA-N 440.591 0.389 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)c3ccco3)CC2)CC1 1833074272 FDXHYJMFJLOZEQ-LXHZQTKUSA-N 444.532 0.743 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cncc(S(C)(=O)=O)c4)CCO3)C2)C1 1833398051 SOMXPNXJDDZURZ-OAQYLSRUSA-N 449.529 0.521 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC3)CC2)C1 1833448387 DSWBHUQQFCFNSC-INIZCTEOSA-N 440.610 0.852 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1833450183 CKGJNDLSDPCZMQ-ZIAGYGMSSA-N 434.628 0.204 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1833464705 OQRJELOTSMZSES-HXUWFJFHSA-N 447.624 0.234 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1833723156 GMLGORFQDUPTDT-UHFFFAOYSA-N 436.512 0.878 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)(F)F)c1)CCO2 1833795124 GFGZJPQAMDIKJA-GOSISDBHSA-N 441.362 0.258 30 20 ICED COC(=O)N(CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccccc1 1834769083 ZLEZKGDHDDVLDZ-QFIPXVFZSA-N 444.488 0.625 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)CC1 1835344631 NABDGCDCNCZPAQ-UGKGYDQZSA-N 440.456 0.481 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1835361639 VVLVTYOULCAKCR-HXUWFJFHSA-N 442.432 0.845 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835592808 VFLFTBXEAMGYCE-LEDOBFOHSA-N 435.565 0.515 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1c[nH]c(=O)cn1 1836139990 BCQCFPOMJPJYKF-FSJBWODESA-N 440.504 0.667 30 20 ICED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837238304 IMHWBINQVJZBKS-SMSORMJASA-N 432.542 0.653 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837490582 HPOUAJUAEAXSQS-WMZHIEFXSA-N 432.517 0.834 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837524576 JUFDFYBPUHEPPL-QSMYGXHJSA-N 447.492 0.005 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nccc4nc[nH]c34)CC2)CC1 1838053988 WFCPNPJXNPKOBL-UHFFFAOYSA-N 425.445 0.658 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)n1cnnn1 1838392228 QFXDCTBVMQSRAL-BDFKGGEMSA-N 446.556 0.704 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)Nc3ccc(F)cc3)CCO2)C1 1839030214 DTODRENQAAWTKK-JLTOFOAXSA-N 439.509 0.929 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839223743 HBULHFHMODLTSB-ZWCUEREDSA-N 433.505 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652231 SUFNWPCGCGRDCI-KKSFZXQISA-N 449.508 0.372 30 20 ICED Cc1cccc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c12 1840042264 JTZUZVMRAMNCHJ-QFIPXVFZSA-N 425.441 0.634 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(C(F)(F)F)n3)C2)C1 1840042298 MKIMDVQDWYTIRG-MRXNPFEDSA-N 447.391 0.320 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840360640 KJNJWFWNUIYGKQ-XERREHJYSA-N 436.578 0.925 30 20 ICED CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)NC(=O)N[C@H]1C 25172277 NYJVTZNNOLZXGS-AWEZNQCLSA-N 447.517 0.383 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(SC)c(OC)c2)c1=O 410009709 GVLPAAZPNHASIL-UHFFFAOYSA-N 433.555 0.926 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1=O 440270894 RJHSPMZDJSYQEQ-SFHVURJKSA-N 448.483 0.728 30 20 ICED CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)NCCN(C)C 441687786 GDMIPLNMOHQFAS-KRWDZBQOSA-N 440.508 0.286 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 443528120 IFRXWUUZMMGASR-UHFFFAOYSA-N 430.486 0.879 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cn1 462093114 ONLLXRKTYGWSLD-SFHVURJKSA-N 446.471 0.863 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465394330 HWLOSKDTEBZUFJ-UHFFFAOYSA-N 428.467 0.997 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)n(C)n1 472065348 XMGCVKRARWWTQL-MRXNPFEDSA-N 425.497 0.279 30 20 ICED Cn1c(=O)c2cc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)cnc2n(C)c1=O 475465074 AFNSYSFABHUEJF-QGZVFWFLSA-N 432.440 0.634 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 479461339 BSAIFHKWKSTTOX-CYBMUJFWSA-N 433.490 0.206 30 20 ICED N#Cc1ccncc1C(=O)NCCN(CCN1CCOCC1)C(=O)c1cnccc1C#N 487148749 FEMYBNHZRSUUPD-UHFFFAOYSA-N 433.472 0.424 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 488600004 VYJODKDDFXLYPX-OAHLLOKOSA-N 440.526 0.173 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491589673 SSINVYBMPOMGDJ-AWEZNQCLSA-N 435.912 0.836 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502050099 JDGKBYIGNLUFQS-HNNXBMFYSA-N 447.586 0.195 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC1 505012552 FNMBIPZJDNANKV-UHFFFAOYSA-N 430.896 0.911 30 20 ICED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 508472579 KFFOBSLGLVKSQK-UHFFFAOYSA-N 433.538 0.719 30 20 ICED CC(C)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nncn1C 510935323 MFUYDBBHYPFAGE-LJQANCHMSA-N 445.549 0.507 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)c1C#N 511612194 BWLQYPXUTOUEMW-LAUBAEHRSA-N 449.559 0.886 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)n(-c2ccc(C#N)cc2)n1 515440549 BGRHVHBYHRZVKR-OAHLLOKOSA-N 444.517 0.869 30 20 ICED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1 520195001 PDZXRIZKOGMBBE-GDBMZVCRSA-N 447.521 0.224 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 525702249 FDZIIXMAFBOFKJ-UHFFFAOYSA-N 429.520 0.857 30 20 ICED C=CCNC(=O)CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 538623340 NXHFZFVCGAKLKI-UHFFFAOYSA-N 426.495 0.530 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546783122 YQACELYXKSDNDI-UHFFFAOYSA-N 443.481 0.099 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 554914745 VSDUENDZSMJLNP-JKSUJKDBSA-N 448.615 0.636 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 556388626 VHGMTKFEKQLFLZ-UHFFFAOYSA-N 427.428 0.693 30 20 ICED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 559677974 HQUMFEXKFHZNBK-LBPRGKRZSA-N 429.296 0.799 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@H](C)C3)CC2)CC1 561414589 JILMKQXWOTYPMO-KDURUIRLSA-N 436.597 0.870 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)CC1 561740999 RZAAGZSTZQLEHY-IBGZPJMESA-N 430.549 0.825 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)CC2)c1C#N 576073154 MRPRMXBCAICUPK-VQIMIIECSA-N 438.532 0.920 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 576380020 CYSALPBRAUSOAB-IBGZPJMESA-N 430.505 0.692 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3cc(C)cc(C)c3)n(CC(N)=O)c2=O)n1 583787543 MYPHAUPXRTUOBC-UHFFFAOYSA-N 448.504 0.802 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911561 JOXMUVAAFGOYPX-UHFFFAOYSA-N 438.431 0.442 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609127063 FLCAYAUTEXONQD-HXUWFJFHSA-N 434.500 0.882 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 614258463 CBQKZGHYPHEFQB-ZIAGYGMSSA-N 430.494 0.647 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCc1ccccn1 726182439 UEBATUBXVRXPTC-UHFFFAOYSA-N 448.552 0.703 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 728466523 MRMFBPPDUQMAGI-SPJFCROGSA-N 449.533 0.565 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)CC1 728570660 JNKDNCGDNABHTN-UHFFFAOYSA-N 436.560 0.782 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)CCC#N 729502490 KIOCBNITYSSNCQ-ZDUSSCGKSA-N 425.463 0.430 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)CC1 733149101 YLDUGYYLAAQEQB-UHFFFAOYSA-N 449.573 0.923 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)CS(C)(=O)=O)cn1 733200592 GMMMHQNGZJHSJS-BXUZGUMPSA-N 427.552 0.936 30 20 ICED CN(C)CCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 733888974 LQZHZZPZXSJSKW-VGLIXDPASA-N 435.550 0.848 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H]3CCOc4ccccc43)c2=O)cn1 742144483 NWSPVNSAYJUQGJ-QGZVFWFLSA-N 435.509 0.747 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N(CC#N)c1ccccc1 745356519 KTGWNCYYOMCKOV-CQSZACIVSA-N 433.490 0.804 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(F)c2C#N)c1 751073570 AMXAKESZLKGXFE-NSHDSACASA-N 440.478 0.911 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)cc1C#N 752408821 QQYPKMZAGQOZQE-OAHLLOKOSA-N 431.449 0.819 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(=O)N(C)C 755662522 QFJFESNZBKFWCY-UHFFFAOYSA-N 432.452 0.081 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 759047542 YNOSMHNVVYFATO-OAHLLOKOSA-N 431.460 0.664 30 20 ICED N#CCCN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 760945136 WIXKSRKBTKDHDL-LGMDPLHJSA-N 428.518 0.765 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)[C@H]1CCCO1 776229508 WTWPEBSRPSVMGX-HUUCEWRRSA-N 441.531 0.731 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785650121 CDTUKLQNORMVGL-HNNXBMFYSA-N 434.880 0.874 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NCc1ccc(F)c(F)c1 786569143 JMLBNXDNYWQIBC-QXWDTAIYSA-N 431.395 0.842 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C 790424518 GGWPYFICAFZKPB-CYBMUJFWSA-N 428.514 0.520 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)c2)C[C@@H](C)O1 793211820 FWFSBKXHZJHLKI-ZIAGYGMSSA-N 441.531 0.848 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800772732 NVQJOFAGEAFCMJ-UHFFFAOYSA-N 448.553 0.820 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCSC 814250499 RRWLMZYBZSNTQD-UHFFFAOYSA-N 439.513 0.540 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 838231587 YHSQBIWYVLZYAP-UHFFFAOYSA-N 443.481 0.075 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCOC 916198499 MUDYXBBFSQCXSM-UHFFFAOYSA-N 435.933 0.865 30 20 ICED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916923497 QPBLOFUQGAWKKM-ZDUSSCGKSA-N 438.444 0.570 30 20 ICED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916967515 ZLQFGXIURNLMQO-AWEZNQCLSA-N 428.426 0.603 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCNc1ncccc1C#N 918268407 CXICRSMUWOWJNX-UHFFFAOYSA-N 442.501 0.321 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c(=O)nc1O 1311830454 UXSQJKIZKHNZRK-QGZVFWFLSA-N 446.895 0.847 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)COc2ccccc21 1319794060 LONLGWXNLZYQJE-CQSZACIVSA-N 428.470 0.767 30 20 ICED O=C(N=C1NS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 1323607155 BCBIYBBRNIPKCB-UHFFFAOYSA-N 435.483 0.586 30 20 ICED CC(=O)N1CCc2ccc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2CC1 1325696538 QCTXKTRBZFMMBF-FMQUCBEESA-N 432.502 0.438 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1515991718 NAWPGCHNXIPHLS-UHFFFAOYSA-N 433.520 0.857 30 20 ICED CC(=O)NCC(=O)N1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 1631734157 MMCXMHYYTAGQES-UHFFFAOYSA-N 425.493 0.347 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1692786148 RXMSYTLRBIRGTO-NHYWBVRUSA-N 430.897 0.880 30 20 ICED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1696332461 NGJNUUFQVINYCZ-HRAATJIYSA-N 427.509 0.948 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CCN(C)C3)CC2)c1C#N 1707807915 RCULOFFACVSNOA-NRFANRHFSA-N 427.557 0.708 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1752525532 NGXAZCMIXJBQPB-PZPWOCDFSA-N 439.524 0.767 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)C1CCCCC1 1761502362 YMJDPXTWNCUNMO-URLQWDBASA-N 440.570 0.948 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1766722531 CBLRQXWACFDQCC-AWEZNQCLSA-N 431.522 0.423 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1766878017 PPHPRULQMHCNEJ-OAHLLOKOSA-N 432.506 0.440 30 20 ICED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)CC1 1778266962 JHJUERYENRTQBV-HSZRJFAPSA-N 441.532 0.014 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c(Cl)c1 1779096568 KYQVDPIBSXWWTB-FPOVZHCZSA-N 448.907 0.306 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779318059 GXDBZGVVNOJHLJ-KNQAVFIVSA-N 428.489 0.347 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1780334762 ILEDHWPMRZFQQF-HXUWFJFHSA-N 426.433 0.056 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171050 IPMMGDLIQKWWAK-NFBKMPQASA-N 442.516 0.854 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1782236840 BDBBCOHFUPRXBY-KSEXMQBYSA-N 437.500 0.875 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(N)=O)cc2)C1 1782864748 SBOMNNOJPBLMCW-ZDWFVDTJSA-N 427.501 0.951 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1783672592 AVTJPJXYBOTHKZ-WDSOQIARSA-N 446.935 0.942 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1783924600 SXTKJPYHVVYPEM-VXKWHMMOSA-N 429.473 0.546 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H]5CCNC(=O)C5)C4)C3)c2c1 1784040966 UDFCJABPBZBDDN-IVZQSRNASA-N 436.472 0.404 30 20 ICED CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784550489 MLEVBDQRIYSUPG-VNWNMTOCSA-N 425.526 0.902 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c(C(F)(F)F)n1 1785627436 NNGNMNRKJWGNBV-KRWDZBQOSA-N 440.382 0.084 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(-c4cccnc4)c3)[C@H]2C1 1785724624 VAETXBJSIBCPCN-USNOLKROSA-N 437.500 0.899 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4ccco4)C[C@@H]32)c1 1789344084 KIRIWZTUMXFXPX-MPGHIAIKSA-N 425.445 0.503 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(C)=O)C[C@@H]32)c(C#N)c1 1789843271 BUULCESXLSNOIT-VDGAXYAQSA-N 428.489 0.225 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1)C(=O)O 1790271414 PVJHZDFBXXELFT-WNHJNPCNSA-N 428.489 0.523 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CCC(=O)N5)C[C@@H]43)c2c1 1790327858 LDWNDBQJAXXBHP-IKICRFKJSA-N 436.472 0.306 30 20 ICED C[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 1791050108 LZNGQJLKWKKICG-PKIAMQTDSA-N 426.395 0.946 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1792145743 JTQBKPIVYSYOEM-BJLQDIEVSA-N 440.500 0.539 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)n(-c2cccc(=O)n2C)n1 1795933002 LBAMYKSJQCOHDB-FEJSZKPUSA-N 449.511 0.496 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)n1nc(C)ccc1=O 1798586988 JBIMKMROFPDBEO-BZYLRBNYSA-N 441.532 0.783 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799684940 NRCGBRQCUVWFAI-IQJIWCNXSA-N 431.489 0.937 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](N)c3ccccn3)C4)c2c1 1799883503 QPBLHDCFFYFTDQ-HRYATBACSA-N 445.483 0.733 30 20 ICED 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)CC#N)C2 1800824870 QWDLXNMNRPJJIO-RUPGSYKBSA-N 436.509 0.250 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2ccccc21 1800886566 VZFGMFBEFQBGBQ-XXGILCFXSA-N 437.500 0.484 30 20 ICED C#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]1CCCO1)C2 1802128024 VUAIKVTVTXWOAN-RZFLPCETSA-N 435.521 0.672 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1803571493 PZMITPLHLIXBIV-QGPMSJSTSA-N 432.477 0.222 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccs2)[C@H]1c1cccnc1 1804572212 CHQZXBSYZWIUBG-MGPUTAFESA-N 440.481 0.667 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@@H]2c2cccnc2)c1 1811793834 OVDMGCMOINLSGP-QZNHQXDQSA-N 449.511 0.923 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)C=C)sc2C1 1820134246 JNHLFDJPZRPDKC-MYSQMOAQSA-N 431.518 0.604 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824505997 TVEAGXKLYWVRMA-RDJZCZTQSA-N 431.470 0.922 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803573 FJJQRRJUMZHUHP-DLBZAZTESA-N 445.497 0.904 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)Cn3ccnn3)C2)C1 1829263172 MIRJDOSRBTUWDF-JOCHJYFZSA-N 436.472 0.363 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c21 1831216464 REULPDCVHUFXRN-HSZRJFAPSA-N 438.484 0.762 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)s1 1831218040 IMYIJUMVEGDOMG-JOCHJYFZSA-N 446.525 0.947 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831392882 PVZPQPMNTKUUOA-HTAPYJJXSA-N 426.473 0.443 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831499263 SSKKMLGIIVVQMM-WMLDXEAASA-N 429.568 0.308 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489299 ZMVOQOZUMQSNKS-DNVCBOLYSA-N 438.506 0.199 30 20 ICED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835233983 KHUROTSPVLUOGM-OAQYLSRUSA-N 427.461 0.541 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CSCSC1 1835344650 OIJHPHWFJZXGSR-BEFAXECRSA-N 440.591 0.790 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1835674674 CZYCVWMYFGOROK-XMSQKQJNSA-N 436.553 0.684 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835681395 VGOHLJRYHMWBAB-GCJKJVERSA-N 446.552 0.491 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cccnn4n3)CC2)CC1 1836077772 JUSXIDBJURIIJT-KRWDZBQOSA-N 438.532 0.953 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1c[nH]c(=O)cn1 1836140570 TWMYULXCGCFCDK-PCLIKHOPSA-N 443.552 0.427 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393412 KYHKKGLNJZOFCE-IERDGZPVSA-N 429.477 0.390 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546326 CWGYLICKLNZYLU-JOCHJYFZSA-N 431.489 0.822 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ccnn5c4)C3)C2)c1 1838739992 CPFGWWIDBWOYGM-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1839225578 NKHYOPMZALOHOZ-IIBYNOLFSA-N 444.492 0.600 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839715211 MKRVLAAMYQJVQO-DUYDGHCJSA-N 432.525 0.120 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839886952 RKRXDUYQXDOBHZ-LJQANCHMSA-N 426.464 0.939 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840199483 BOIIGKNKZUSXSZ-BXWFABGCSA-N 431.555 0.358 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840818960 HRPUIHVMZMAJDF-QHCPKHFHSA-N 443.500 0.820 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1842920504 SQIMXBXAAGVPMF-UHFFFAOYSA-N 427.509 0.115 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846330958 VWCASKNSTGSCRP-CQSZACIVSA-N 427.523 0.151 30 20 ICED Cn1c(Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(C#N)c(=O)n(C)c1=O 24893568 PWSLIFMFOUOLLQ-UHFFFAOYSA-N 425.352 0.981 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 27507189 XSEHCVUODLXNGS-MRXNPFEDSA-N 448.545 0.665 30 20 ICED C[C@@H]1CCCN(/C(N)=N/CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 305768155 JSXDZNCQMSEOSK-CQSZACIVSA-N 432.568 0.838 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 409582007 XUJMKYDQNWTSIP-MRXNPFEDSA-N 428.536 0.146 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 431702927 PMYHVHNRUBJSRU-UHFFFAOYSA-N 442.505 0.407 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1C 436765891 BYKNMQQZXUTTBO-ZDUSSCGKSA-N 444.517 0.792 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)n2)cc1 437100188 AYWLBOSCRJLHGR-MSOLQXFVSA-N 435.488 1.044 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 437998425 HGNXPSRQOWETPL-BBRMVZONSA-N 426.495 0.376 30 20 ICED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 443760231 VPHMYJUOWCDYNX-UHFFFAOYSA-N 434.449 0.880 30 20 ICED CCO[C@@H]1C[C@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1(C)C 475383292 MAHPXLXHZMGVCL-IERDGZPVSA-N 426.477 0.819 30 20 ICED COC(=O)CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 479113295 CXIWHQVKMLJDHM-UHFFFAOYSA-N 429.520 0.939 30 20 ICED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 480305340 GQCSEFHYKABHQG-FQEVSTJZSA-N 426.454 0.898 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2C)CC1 491020528 RMFWEWMEYDFKTN-UHFFFAOYSA-N 438.488 0.962 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c1 501546794 AHKKBKWTYYGQAF-CYBMUJFWSA-N 428.536 0.602 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2C)c1=O 502005757 AGGCFNRFUDDXED-UHFFFAOYSA-N 431.562 0.734 30 20 ICED CNC(=O)CN1CCC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 503291049 ZGIIFIAJRSQFLX-UHFFFAOYSA-N 438.536 0.768 30 20 ICED Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 505120379 NZVBQGPBXDEOQA-SJLPKXTDSA-N 429.502 0.902 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 508254186 WLJUWJODJOOKBX-OAHLLOKOSA-N 445.505 0.316 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] 538842445 SQYFRFZPWRTPMT-UHFFFAOYSA-N 430.442 0.040 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 546816811 XKBZYYVLGKWVLI-UHFFFAOYSA-N 446.489 0.421 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1=O 550904650 ANRHDMYYTNSGQK-JZXOWHBKSA-N 429.521 0.557 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)NCCNS(C)(=O)=O)n(-c2ccc(C#N)cc2)n1 551707998 ZDOJXAXEAYGLQB-UHFFFAOYSA-N 432.506 0.645 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)n2)c(Cl)c1 551737124 BPHSARCZXLQDTB-KDOFPFPSSA-N 426.864 1.509 30 20 ICED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 559606540 PSMXWAMZKCMRIK-UHFFFAOYSA-N 428.474 0.149 30 20 ICED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)n1 564675583 FCANSKJBFUJCQB-UHFFFAOYSA-N 447.702 0.660 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 568121650 HJTSXPJHFLIXPH-UHFFFAOYSA-N 449.533 0.067 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 568691776 SNPTXSXELFUYHN-PZJWPPBQSA-N 442.541 0.836 30 20 ICED Cc1nsc(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1C#N 576196431 SIBKWVXLQPDYIH-UHFFFAOYSA-N 446.558 0.682 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)nc1 587659797 ZQACUUNITHOLHW-UXHICEINSA-N 440.548 0.798 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 588963457 MAGHIEKGBAMACD-INIZCTEOSA-N 440.481 0.724 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2OC)c1=O 603792374 BEZMOJVOTQLZAB-UHFFFAOYSA-N 429.498 0.379 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1F 603801495 VOKQOCBTEKCXII-UHFFFAOYSA-N 442.447 0.838 30 20 ICED N#CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 609340581 FBULUJFQWHYRKO-UHFFFAOYSA-N 433.534 0.904 30 20 ICED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 615632344 SHQAWTTWIWFTQY-KRWDZBQOSA-N 444.872 0.764 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 618040676 ZTIZCUBWJZDKKS-UHFFFAOYSA-N 442.501 0.921 30 20 ICED O=C(NCC#CCNC(=O)c1cc(Cn2cccn2)on1)c1cc(Cn2cccn2)on1 645972146 UYYULMDKILRYNK-UHFFFAOYSA-N 434.416 0.315 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CSc2nncn2-c2ccc(C)cc2)CC1 729256902 LXSRAMVNBIMVNH-UHFFFAOYSA-N 426.546 0.952 30 20 ICED O=C(NCCCN1CCN(c2ccncc2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 732459355 URDMZKUJKVKLEF-VXPUYCOJSA-N 427.509 0.419 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 733148589 DESSKPFBJHUOCE-HKWRFOASSA-N 437.504 0.272 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 733277487 GDYMVLLBOHBLEQ-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 734436421 XHYOXJWHBDFONU-OFNKIYASSA-N 440.544 0.888 30 20 ICED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 740731136 HFZSDWIUAHHNEU-UHFFFAOYSA-N 440.478 0.753 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C1CC1 745386834 IXCBCIGLGKSXOY-VFNWGFHPSA-N 426.429 0.268 30 20 ICED C#CCN1CCN(C(=O)CN(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)CC1 748809781 KIPZJBPFOSXWER-UHFFFAOYSA-N 427.505 0.952 30 20 ICED CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 748980617 ARUBMARBAGKWCP-QIIGAIICSA-N 435.506 0.175 30 20 ICED COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 750813177 FGUHNRXEWIWFPH-MRXNPFEDSA-N 439.490 0.390 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 758059896 VUZBYAJLLKYBLG-UHFFFAOYSA-N 430.489 0.453 30 20 ICED CNCCCc1[nH]nc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C#N 760310412 UAHVZPFJUKVURH-GFCCVEGCSA-N 429.506 0.889 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 761684357 XDSGUGCRHOWRLZ-FPXYOBAVSA-N 437.497 0.836 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCSC 763467469 WMBIHBOYMJYVLX-UHFFFAOYSA-N 434.587 0.657 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)CC1 783319402 QCEJATKOOLINIH-UHFFFAOYSA-N 441.467 0.987 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ncnc3sccc23)CC1 787778033 MMPTWZVJRTVZIL-UHFFFAOYSA-N 436.501 0.835 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 789115246 CVUYNOXETRARJN-XIKOKIGWSA-N 434.474 0.787 30 20 ICED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793142893 VCTWUDLIEDPQCF-OAHLLOKOSA-N 439.494 0.460 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2F)c1=O 799938921 CXEDGKGFXSTGJO-UHFFFAOYSA-N 427.457 0.053 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 802573385 ASYDSGSWLCOSLB-QGZVFWFLSA-N 442.422 0.604 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cc(Br)cn1 807892328 LVVWJMWKIOKTIF-UHFFFAOYSA-N 426.296 0.891 30 20 ICED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816128752 VJGZWMOTGFUFIB-CQSZACIVSA-N 444.491 0.866 30 20 ICED COCCn1nnc2c1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 817827227 KAJUCYJQFJUFCE-UHFFFAOYSA-N 432.506 0.328 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCCSC 839368477 DPGABYBIVQPRFL-UHFFFAOYSA-N 449.602 0.279 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NCC(F)(F)F 887571984 JNEGSOUEOLVOIV-SECBINFHSA-N 436.368 0.156 30 20 ICED C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918269962 OHWZFWUPHPPWFG-UIFJYSFJSA-N 432.506 0.839 30 20 ICED Cn1c(=O)[nH]c(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c(C#N)c1=O 1185685689 RWXBOJGVYTXESD-UHFFFAOYSA-N 447.293 0.468 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1315007619 NAQNVJHYZHOZIG-KRWDZBQOSA-N 439.476 0.610 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1473472697 UBLNCMYKMKKYGZ-INIZCTEOSA-N 430.552 0.082 30 20 ICED CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1515782459 NHUUOZDYSWUIKK-KRWDZBQOSA-N 448.553 0.616 30 20 ICED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1555559270 QRWVTNOUJVHAAR-MRXNPFEDSA-N 438.554 0.734 30 20 ICED CNC(=O)c1cc(O[C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)ccn1 1643648440 ZZSOGPXORQTUQY-TZIWHRDSSA-N 442.564 0.977 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1706075250 LGEUXJWDNYHLFD-ZBFHGGJFSA-N 431.522 0.804 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1710904043 WFGPCPVTDLXXGH-UHFFFAOYSA-N 434.522 0.893 30 20 ICED Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)n1 1748066438 JUCFKXDHNKRHNO-UHFFFAOYSA-N 426.506 0.813 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750388268 NCDGUBQAPQGVGP-INIZCTEOSA-N 430.463 0.822 30 20 ICED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c2c1CCC2 1777962999 ANFVJTIQQMQDQI-RWTMDTCBSA-N 445.520 0.881 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)no1 1780596968 IAPPSFWJDZZBSV-JOCHJYFZSA-N 437.456 0.728 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1780802527 WBIGCDRSBAQYSJ-IIDMSEBBSA-N 448.457 0.026 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1781270687 KBXRRGFNTMTLCV-QFIPXVFZSA-N 429.473 0.738 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1781689019 FVMMYPCZZKRZGQ-WZONZLPQSA-N 441.532 0.849 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1781743673 HOXAUGWZOPEORL-LBUQITIBSA-N 432.521 0.983 30 20 ICED COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1782061944 MWBYWCLJMMKSAU-XMSQKQJNSA-N 437.537 0.874 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797675 WQJUQUFTMWTFOZ-VGOFRKELSA-N 445.520 0.699 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1783737047 JROKWNWNENPUEU-UFTUAFODSA-N 425.485 0.866 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1783848207 SGQFEKGNSCMWEN-KQGMHSTHSA-N 442.516 0.449 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1783912554 ZVSLDOAVLAEBCZ-UFYCRDLUSA-N 438.532 0.311 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 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30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc2ncccn12 1797028444 NUXHCXRYTHQXEI-BAFQNWIYSA-N 425.493 0.404 30 20 ICED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797141186 XYUNLNQXXKZSHH-NRSFXHEJSA-N 427.567 0.460 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1797648329 LYJORMRIBYLMMV-AXVVYFOYSA-N 441.532 0.988 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784179 NRELRTXOXVRJSQ-GNBUJSLZSA-N 429.521 0.202 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798577041 SAHAENRATNXQNQ-MVJTYMMSSA-N 429.477 0.217 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1799306297 QWUXAMQKLGKLAW-CCWDJLKJSA-N 429.473 0.498 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1804373322 ASAWCOCHBSBLSX-QKPAOTATSA-N 441.550 0.586 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700258 OLQAZWWNZBBBAA-GOSISDBHSA-N 445.651 0.902 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810283449 AMTWVPHROABDNN-ITFWABFYSA-N 426.521 0.838 30 20 ICED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819877059 ONKVPBOKIQIORB-AUUYWEPGSA-N 438.550 0.689 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828966452 HWFUHULBQUOWRB-UXHICEINSA-N 449.596 0.539 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831208231 JKPOFPMIVUVRJB-HSZRJFAPSA-N 427.501 0.893 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1831386369 GFZDETQLOOYMAF-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831399277 VDEIKDRMOYAWOP-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3OC)C2)C1 1831402722 PXAYMADHBOXVPX-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831410579 CAJWLTQCTQXAFQ-NQIIRXRSSA-N 435.525 0.353 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831437312 BKIXIOBPZABRPC-LAUBAEHRSA-N 428.526 0.823 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831477717 AXFPXVILADWQPO-JOCHJYFZSA-N 428.489 0.543 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831487476 NQUBWOIMQBENAD-QUCCMNQESA-N 429.583 0.120 30 20 ICED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1)C(F)(F)F 1832182851 JHGHDSLOLNFIOW-OLZOCXBDSA-N 440.312 0.657 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197873 BXVINDXPACMDKC-VGOFRKELSA-N 443.504 0.479 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832492323 OFIRTRALYOKYPS-LLBVYWAGSA-N 446.500 0.874 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1833087564 RHSXNPOBAFVZJT-HFSPCEDCSA-N 449.508 0.177 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295070 BBXLQKSWKIRSIT-GRQGUZBNSA-N 433.465 0.076 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncn2C)CCO3)c1 1834327966 XFKOUBJJLLWBPA-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(CS(C)(=O)=O)nc3)CC2)CC1 1834963674 SXYMGJXCFNIWEJ-UHFFFAOYSA-N 432.546 0.445 30 20 ICED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1835702661 XBRZKZXXLKPGGI-UKPRUQCOSA-N 444.536 0.010 30 20 ICED COC(=O)C12CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)(CC1)CC2 1836706693 VYTUGCFYORUWPS-HRTMPFAESA-N 433.505 0.870 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837478098 YDWRLVXDQAVTIL-JXFKEZNVSA-N 435.550 0.653 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837480088 XRELPJGENHPEHB-DVECYGJZSA-N 449.511 0.785 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639454 HVRFNHQHXGMJCH-GJYPPUQNSA-N 425.555 0.325 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(C)C)C2)C1 1839174995 HUHIVVNKHSFLNP-LAUBAEHRSA-N 426.510 0.766 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1839185401 YLRREGOUHBURLG-HRAATJIYSA-N 440.541 0.261 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371826 QWKMJYLIIALLAY-XLIONFOSSA-N 440.518 0.828 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839733386 GMRYAEHWIZEZJG-KPDCDPCYSA-N 427.501 0.518 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839780845 XCDXASMLAXVVAH-YLJYHZDGSA-N 444.550 0.003 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c[nH]c(C)c3C(=O)OCC)C2)C1 1839806536 SFLIZFWILRSSKV-QFIPXVFZSA-N 431.489 0.522 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103447 BMXAUJVEHXYDOU-QUCCMNQESA-N 427.567 0.410 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1840162733 GEWYCSDPHWDYPR-XOBRGWDASA-N 439.509 0.929 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(Cc1ccco1)C(=O)OCC)CCO2 1840340530 OPMHFJPJJVIKEF-OAQYLSRUSA-N 433.461 0.328 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cncn1 1840420213 DQXSZOUVCQLIAJ-VFNWGFHPSA-N 442.451 0.620 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2)c1cccs1 1840535731 YTCCOKRAVNSOEY-PPCRGMIQSA-N 434.514 0.980 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1CCCC3)CCO2 1840721924 ATODAJDVNAUETF-HSZRJFAPSA-N 426.469 0.723 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2nccn(Cc3ccc(F)cc3)c2=O)C1 1842242726 HYWIPDNPUZAISD-UHFFFAOYSA-N 438.415 0.336 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 17955280 KTLXDJKTIIBGIE-OAQYLSRUSA-N 426.429 0.683 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 430411269 DUDLHGAMHXRSDF-ROUUACIJSA-N 442.582 0.349 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](CC)CN1C(C)=O 441233106 MPCNFJRUWKNBMY-RBUKOAKNSA-N 437.504 1.384 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 446517039 BZSAYCJBEOJYIT-CYBMUJFWSA-N 449.407 0.446 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1CC 467559889 LYVGFNAUOZFHIA-CQSZACIVSA-N 441.509 0.675 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 467676876 FLHPSQDIUCYDBX-XIRDDKMYSA-N 441.937 0.709 30 20 ICED Cn1c(CCC(=O)N[C@]2(C#N)CCOC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 478664476 ZIUUENXARNUNPY-FQEVSTJZSA-N 447.517 0.326 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3OC)c(=O)n2CC)CC1 480950296 LDTVCMAKXFBQDU-UHFFFAOYSA-N 432.571 0.667 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480952528 LPQXWDAJOOXLLY-UHFFFAOYSA-N 445.551 0.481 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 488995121 HKDAPDJCSFQWMO-HUUCEWRRSA-N 428.514 0.271 30 20 ICED CCN(CC)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504898794 XNQZOYYGLXQWIR-INIZCTEOSA-N 435.506 0.551 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 511682883 UJOOWSXJSYGMBJ-LJQANCHMSA-N 426.498 0.960 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CCN(C)CC1 516827663 JQOWDYJWHJSVIM-UHFFFAOYSA-N 447.586 0.207 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 523079507 XDINFILEFLELAU-UHFFFAOYSA-N 448.570 0.327 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532108077 SFCWHOBVFDOYQU-UHFFFAOYSA-N 437.525 0.771 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 533446863 RALKXEDRISBFEE-UHFFFAOYSA-N 428.537 0.911 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 536085842 JKSYBWJAECJQCJ-GOSISDBHSA-N 439.537 0.841 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 538312033 UGAQRLUZDGUNKY-KRWDZBQOSA-N 446.577 0.126 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nn1 544872299 DNNXQYXVICBZGR-TZMCWYRMSA-N 432.462 0.077 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(C)C 549934719 CFBURTULTVXVJU-UHFFFAOYSA-N 429.546 0.604 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccc(C#N)cc1 550592317 VEAUTXKOHQUPBS-AWEZNQCLSA-N 431.474 0.398 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCn3cnc4ccccc43)C2=O)cc1 550823299 QNWOPYMOVZHYOP-LJQANCHMSA-N 430.468 0.941 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)C2)nc1 551430369 YOAUIXSTQXCBFV-INIZCTEOSA-N 426.454 0.901 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCn3cnc(C#N)n3)nnc12 553192040 ZTPHEMILDHASOE-UHFFFAOYSA-N 435.473 0.602 30 20 ICED Cn1cc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2=O)cn1 553435988 WPXVCGRFKJRCSR-FQEVSTJZSA-N 439.495 0.617 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 558403033 QVYHMYDEOANNJC-IVAFGUPBSA-N 427.548 0.800 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C2)nc1 573788998 HQJXKTFUJWGLTO-OAHLLOKOSA-N 431.474 0.596 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2)nc1 577732008 HDNHISINQOJPPA-IBGZPJMESA-N 447.499 0.304 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c1 579179958 RZDGZVCMAWLACO-UHFFFAOYSA-N 425.463 0.566 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270003 MGMFGUUSPNMIFB-UHFFFAOYSA-N 428.514 0.034 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609940642 PSHMQSJHFOGZDG-UHFFFAOYSA-N 442.501 0.290 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)n1 610561827 RVLWFKPSDCDNML-UHFFFAOYSA-N 431.478 0.822 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611431132 SKUWJRKKTDYBRX-MOPGFXCFSA-N 444.605 0.871 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cn2)c1 615100939 LSBSEJFPJFKUCJ-MRXNPFEDSA-N 429.458 0.964 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 619464125 WCLKWLBPJWYVBM-UHFFFAOYSA-N 446.479 0.717 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 730776284 YXICHPUAWLAFNP-SFHVURJKSA-N 425.489 0.094 30 20 ICED N#CCCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 733797431 YLLBWLWQAGTQRH-UHFFFAOYSA-N 443.367 0.870 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734563052 UTTPRKZGFVAUBR-SFHVURJKSA-N 445.453 0.783 30 20 ICED CN1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 735886629 KWMMWWMYECXACQ-ACNSNUFOSA-N 435.550 0.896 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)CC1 742634678 RVBPZJARSGTKCJ-INIZCTEOSA-N 426.546 0.801 30 20 ICED CCc1nsc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 742906880 PZYGIPOVSRRWFE-UHFFFAOYSA-N 434.547 0.878 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCOC 743725290 NAUYAQDPMALNQA-UHFFFAOYSA-N 436.559 0.367 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 747881935 VRXPFRBBELTKBH-UHFFFAOYSA-N 435.502 0.114 30 20 ICED C[C@@H](ON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749792363 NLUWDDXUQLILNQ-CRAIPNDOSA-N 438.550 0.190 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1C#N 750978515 WYXPICJZLLDOAJ-UHFFFAOYSA-N 426.426 0.965 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CCOC2)C1=O 751688808 LEXJZTXEJAXZJG-LZHUFMSSSA-N 426.520 0.059 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)cc1C#N 752403472 DHUXLVWFBRBFQT-UHFFFAOYSA-N 437.478 0.559 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 753651517 ALSGFQNWJJLMSL-LXIYXOSZSA-N 426.495 0.138 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 755549640 TYRGGOKRFFVEKS-ZFWWWQNUSA-N 448.501 0.830 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758589491 UKVLNLMNKNXJTN-AWEZNQCLSA-N 439.541 0.509 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 774129658 KFWPAUBRJKENEE-UHFFFAOYSA-N 439.542 0.179 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2nc[nH]n2)c1 774433503 OPFFFUSFONXZHW-KOEQRZSOSA-N 447.521 0.695 30 20 ICED C[C@@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 776417472 PZNFIVBLESVJQK-CVEARBPZSA-N 435.502 0.749 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CC[C@@H](O)C1 782056619 IONCQHNRLBPHQO-QGZVFWFLSA-N 428.514 0.608 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)CC=C)cc1 783351551 YWKZUPXOUKQHKD-UHFFFAOYSA-N 429.520 0.149 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)C1CC1 784918808 YGBLYZLKXMQGAM-UHFFFAOYSA-N 440.472 0.924 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787553822 SCEJLYAUJHPBMM-CYBMUJFWSA-N 437.474 0.636 30 20 ICED C#CC[C@@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 798279593 CNJVQXBXGHGMMI-QRWLVFNGSA-N 441.550 0.589 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)C1=O 798560413 HVBUIAPHXRRSPA-KBPBESRZSA-N 447.307 0.418 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC)C(C)C 799274743 WKZKTTONEQTHCE-INIZCTEOSA-N 436.534 0.344 30 20 ICED N#Cc1ncn(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 803548824 CALAYXZAQDKLRG-ZDUSSCGKSA-N 438.897 0.690 30 20 ICED Cc1nn(C)c(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 809300223 BGPTYCYJIIRSSK-UHFFFAOYSA-N 445.501 0.599 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1 810344153 IDLSOGRFQNSLIL-UHFFFAOYSA-N 428.514 0.012 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 810356960 QMSRJQAUSZZGQY-UHFFFAOYSA-N 432.387 0.863 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 916200174 XBDLBWDFUFBKKZ-UHFFFAOYSA-N 448.888 0.899 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916870370 IZRFDDKQPABQDG-CABCVRRESA-N 426.495 0.554 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)cc2S1(=O)=O 917415343 CSGCCBLWTUXWPX-UHFFFAOYSA-N 449.466 0.468 30 20 ICED CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1287008188 QXBHBLBROSVVCE-UHFFFAOYSA-N 432.554 0.718 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1299302802 ZHPPIPGBDBACKS-UHFFFAOYSA-N 443.533 0.472 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C1 1302474708 KYBLKNIFEMMXPU-INIZCTEOSA-N 435.554 0.422 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c(C(F)(F)F)c1 1309497454 QEEFEAWZCTVCDK-LLVKDONJSA-N 426.442 0.913 30 20 ICED CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313486843 RMBOTXPZFBTFHI-UHFFFAOYSA-N 439.524 0.536 30 20 ICED CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1313965618 NDUKBVOYWWEWFB-AWEZNQCLSA-N 436.476 0.492 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)C1CCOCC1 1318045364 YJHGGDNWXAWYOA-UHFFFAOYSA-N 443.547 0.911 30 20 ICED CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503362620 INVUOJGIKGKSGS-NVXWUHKLSA-N 449.581 0.225 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504520389 ZLEHRPXUMWTJIW-KBAYOESNSA-N 431.541 0.644 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)CC1 1510291042 WWSXLJBPCBBWGN-UHFFFAOYSA-N 435.554 0.680 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 1532529653 STKHNIBNISEOFN-UHFFFAOYSA-N 448.545 0.752 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1548315008 LLQAZAZCEICTFM-SFHVURJKSA-N 446.533 0.593 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1697728907 NUXCJYQJWCGJAN-KDOFPFPSSA-N 444.533 0.726 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1722484170 SPTFWJVMCSSOBO-JQWIXIFHSA-N 434.360 0.907 30 20 ICED Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1725929578 MWGKAVFFTWXRNF-CQSZACIVSA-N 435.554 0.675 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1761495752 YLXDWKHQKHUTGJ-KBXCAEBGSA-N 439.542 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)C(C)=O)C1 1778100335 VVMMIZDILWCDKF-JRWJMEELSA-N 434.537 0.226 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779019402 PAODYWWUFGRLPP-KQFRHJRUSA-N 434.415 0.394 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)no1 1779123145 PVOALRSCRVDDIJ-QFIPXVFZSA-N 437.456 0.728 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)N1CSCSC1 1779451623 GOJOWGDEGODKDE-QMTMVMCOSA-N 441.575 0.631 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938787 PFQKOWVQOZFHLB-QVKFZJNVSA-N 432.546 0.934 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1781398418 PUJJOXJVQNLIAN-JKSBSHDWSA-N 445.520 0.831 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1781792247 WMKRKHGWNOLGFM-GHTZIAJQSA-N 431.514 0.773 30 20 ICED Cc1cnc2c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cnn2c1 1782010466 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1839993482 IWQISQRMRRROHD-XXBNENTESA-N 426.469 0.336 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457697 NYHFZGZJVWHNIH-IBUSPFOHSA-N 444.536 0.337 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(OC)CCC1)CCO2 1840615625 ZCJNKMRTFUJIRQ-QJKPHDSHSA-N 435.521 0.260 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(=O)c4ccccc4)CCO3)C2)CC1 1840799395 WXRZXXXUAQKJBW-HSZRJFAPSA-N 440.500 0.567 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1841054011 AVWKAGZQTXZSFV-AFNCTOJWSA-N 441.488 0.055 30 20 ICED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](C)N2CCN(C)CC2)C3)c(C#N)c1 1845139452 SHNWQFZBZCMCLT-GOSISDBHSA-N 439.560 0.949 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C(C)(C)C#N)C3)C(=O)C1 1847121563 LTYTXDOWEJFOMX-UHFFFAOYSA-N 447.536 0.819 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 15544511 APCXLNRMWGDWAW-UHFFFAOYSA-N 442.497 0.910 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)CC2)o1 29820707 RDWFUAFXQCEGOE-UHFFFAOYSA-N 440.464 0.629 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 30980620 OCQLZBFVBQTBKD-UHFFFAOYSA-N 449.514 0.744 30 20 ICED CC(C)C[C@H](CN(C)C(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 409878964 QAFBQKOYBHUQGH-RBSFLKMASA-N 426.485 0.424 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 430398272 XOSQYFMESCNHTO-NUJGCVRESA-N 435.525 0.909 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 443357533 FBAQAGNXUGCGSI-UHFFFAOYSA-N 429.458 0.349 30 20 ICED C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471034809 WAJQINJAPLOANS-KRWDZBQOSA-N 440.548 0.960 30 20 ICED CS(=O)(=O)CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 473479309 JSAZZWZWWMUNNK-UHFFFAOYSA-N 425.532 0.606 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486483101 BFZDOINYGFKBGM-GOSISDBHSA-N 433.534 0.772 30 20 ICED COc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)cc1[C@]1(C)NC(=O)NC1=O 504241911 SVJWMCVTFXZRTL-SFHVURJKSA-N 432.462 0.969 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 507735362 ZTSRNXNNEWINLE-UWJYYQICSA-N 433.428 0.741 30 20 ICED C=CCc1cc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc(OC)c1OC 522115264 VNRKLBGFQOQEIL-UHFFFAOYSA-N 429.481 0.473 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 525884412 MIHKLYFVTMKVKC-UHFFFAOYSA-N 449.876 0.813 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)N2CCC(C#N)CC2)c1 535118844 XKPFSZZUTPRZDD-UHFFFAOYSA-N 449.533 0.474 30 20 ICED Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1S(=O)(=O)NCC#N 536296220 XXEOMWNGBNSTEO-KRWDZBQOSA-N 437.566 0.619 30 20 ICED CO[C@H](C)c1noc(CN2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 537047893 WCPVRVWEWIUVOE-MOPGFXCFSA-N 447.584 0.977 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)c(F)c1 558041923 IACOGOMDMPZCCU-KRWDZBQOSA-N 437.479 0.921 30 20 ICED COc1ccc(CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1S(N)(=O)=O 560648699 AZJOUCVQUQODNW-UHFFFAOYSA-N 428.470 0.462 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3cccc(C)c3C)n(CC(N)=O)c2=O)n1 579905247 ATUGYAIGTPMFEH-UHFFFAOYSA-N 448.504 0.802 30 20 ICED CO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 588869156 DJITVZMTGMTGBM-CZUORRHYSA-N 440.460 0.524 30 20 ICED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 609002441 OCYSCSFGLRADRU-UHFFFAOYSA-N 449.439 0.922 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C 610500675 AVYRTAYGAYHUPC-UHFFFAOYSA-N 443.554 0.206 30 20 ICED Cc1nn(-c2ccccc2)c(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C#N 611346262 VYSKBEFVGCPXHQ-UHFFFAOYSA-N 443.577 0.662 30 20 ICED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 611732818 YRJJQVMMQQCKAU-UHFFFAOYSA-N 432.483 0.627 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 612268654 VQDPAUMFZNSXKQ-QFIPXVFZSA-N 427.505 0.839 30 20 ICED COc1cccc([C@@H](C#N)NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1OC 729429270 JJMCOPUHFFOEFX-CYBMUJFWSA-N 446.441 0.640 30 20 ICED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)cc1 732909643 CWAROGJAJJLHAO-MSOLQXFVSA-N 431.514 0.813 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 733148980 RZWHXVXWMNXRCL-IBGZPJMESA-N 428.508 0.962 30 20 ICED C[C@@H]1CN(C(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 733830373 IPVXPQKTJZEQBM-CPUCHLNUSA-N 428.445 0.942 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)s1 745247933 DMQRRBXPMPUITR-KRWDZBQOSA-N 442.519 0.014 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)n1 748433524 ILHKNZSKONURTK-NSHDSACASA-N 427.442 0.739 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[C@H](C)O)cc1C 748784897 KURLVGXDYLEPPD-WMLDXEAASA-N 425.507 0.635 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)cc1C#N 752405675 SDUMYYWKDIYBTN-UHFFFAOYSA-N 445.476 0.802 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 753988825 MBLUVERCUHANLV-QGZVFWFLSA-N 438.506 0.426 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 755940722 YPLBVXQPMCMSIH-SFHVURJKSA-N 438.532 0.908 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 756029627 JHXQXCOEPRXOKF-ZDHNHOGNSA-N 443.551 0.784 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 756886023 MUPKPVVLVQKLPF-ZIAGYGMSSA-N 440.526 0.272 30 20 ICED C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 757142852 ZZUXYLARSSHANB-IPYPFGDCSA-N 442.563 0.338 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)n(C)n1 758547083 VAQYBICZLUFDNR-SOUVJXGZSA-N 431.497 0.892 30 20 ICED Cn1ccnc1[C@@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 772572148 FSKVXEYTPUAUDJ-SFHVURJKSA-N 431.518 0.821 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC1 775700482 OZUICXZVRNUQHO-UHFFFAOYSA-N 442.335 0.707 30 20 ICED CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2nnn(C)n2)C1=O 783065175 WKSBCSGCCARSAE-CYBMUJFWSA-N 436.567 0.861 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 783347616 KVBRPLHMYHHJFQ-UHFFFAOYSA-N 428.942 0.747 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1ccccc1 786271722 WRDHKMJITOVGEA-CQSZACIVSA-N 429.454 0.767 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1C(=O)N1CCOCC1 787472326 CKEIIAHIOCUYQT-UHFFFAOYSA-N 436.472 0.901 30 20 ICED C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)NC1(C#N)CCC1 787708471 ATMQMCSPMRUAJQ-OLZOCXBDSA-N 434.474 0.181 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 811828932 GTYDFRDRQHDCPX-UHFFFAOYSA-N 430.438 0.800 30 20 ICED CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc(CO)on1 812222838 QXGLOJYDGFXTMQ-UHFFFAOYSA-N 425.423 0.932 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CC1 812275871 DVDHPXHZLGPYHS-JTQLQIEISA-N 437.472 0.570 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 816126734 QPFFBGYGZUPYBY-CYBMUJFWSA-N 429.414 0.715 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(F)c2)c1=O 838245878 OEUIMXDQMILBEW-UHFFFAOYSA-N 433.505 0.979 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1F 914465833 MMBZPIQQOSPTSQ-HNNXBMFYSA-N 445.538 0.235 30 20 ICED Cc1cccc(OCCNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 917229054 MXWWEYYYDZLGQZ-UHFFFAOYSA-N 431.470 0.883 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1288526819 YTBJWWXPHNIXEA-HOCLYGCPSA-N 426.543 0.776 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1292126951 VIRPBOQTVXGZGX-SFHVURJKSA-N 442.568 0.899 30 20 ICED CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1314776482 SRAPGKVGISBOPN-LJQANCHMSA-N 428.474 0.991 30 20 ICED CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1502287849 MAEWICZEFASXPG-BRWVUGGUSA-N 439.586 0.691 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1554505218 RWECOMWKYXLOCN-FOIQADDNSA-N 446.533 0.750 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1617386511 LBHINNUPAZZJPN-OAHLLOKOSA-N 448.505 0.384 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1691004895 VUYBBMBUYSMFNM-ILXRZTDVSA-N 429.568 0.601 30 20 ICED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1708263215 QXIVPDMYCZFYDR-INIZCTEOSA-N 430.534 0.772 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722556889 SQIXLRUONPOOFE-HUUCEWRRSA-N 446.961 0.468 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740743097 LYGFFRUECNWDAV-LBPRGKRZSA-N 447.359 0.610 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOC(C)C)CC2)c1C#N 1742670173 XUNSIKMOTAOICN-QGZVFWFLSA-N 441.540 0.894 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779063691 SLSPIKQOXWYQCR-JOCHJYFZSA-N 435.590 0.564 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104930 POHAPNIXJGFHNN-LNQFGZKGSA-N 445.520 0.310 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105684 MNFDDOUOPQPNSB-VQHJOYQZSA-N 437.493 0.855 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)o1 1779362693 MUCGJILVZUDIOB-JPFMVSBKSA-N 432.525 0.906 30 20 ICED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779408091 VBDFKPFRCPGFLC-WOIUINJBSA-N 436.505 0.799 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c(C#N)c1 1781171362 UOEHJLMYOXWUTM-HSZRJFAPSA-N 435.484 0.972 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)c(C(F)(F)F)n1 1783149882 ASNVHCBDKVLRRO-GOSISDBHSA-N 439.394 0.681 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 1783429310 DXHCEGKWHOMWKV-FCHUYYIVSA-N 446.504 0.605 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C(C)C)n3)C[C@@H]21 1783530761 BEQBSJJOSFVJES-ORIYOMJCSA-N 430.509 0.311 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783600282 JVNNSPYKEGJWTE-VBKZILBWSA-N 438.481 0.186 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785025363 ZMOXCFWJFJOWAI-HAGHYFMRSA-N 425.485 0.111 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788671496 HAQCDSFZILTEEZ-DZKIICNBSA-N 440.447 0.904 30 20 ICED COc1cccc2[nH]cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c12 1791077571 JSZXSVHOMPCBII-YEWWUXTCSA-N 425.441 0.858 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21)n1cnnn1 1791687454 LICDJMATTARBKJ-UJNZZBMASA-N 441.467 0.467 30 20 ICED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1791984252 ANZLIGQQJZHEIT-TTYHFUOFSA-N 438.532 0.747 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1792145320 JNFBZDMXYLAJPV-CUWPLCDZSA-N 435.484 0.949 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1792636481 YXOJLZQSFGODQQ-SSTJLMRISA-N 440.544 0.761 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833942 TVOGQAPOSQTGGC-WKZKVMAPSA-N 443.500 0.696 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1797710181 IACYUQOWYPHAEZ-YXPYIKCWSA-N 448.476 0.775 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797739840 IGXXRQGKQTYLCL-AQRXXPLYSA-N 434.537 0.637 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800245078 LEOBXOWDYTYVTK-KBMWQNTOSA-N 443.548 0.774 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C(F)(F)F 1801289210 OUJGZUPAGKMQOS-OCVGTWLNSA-N 443.426 0.165 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1801992770 WLSODPIBJKUXSQ-BBIADKPPSA-N 435.484 0.949 30 20 ICED 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]1C[C@H](O)CN1)C2 1804407762 UQCJPABZCBQRAQ-MGDUJGQVSA-N 448.564 0.817 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CC1 1809667060 ONGQDCCXVQKQPQ-CTNGQTDRSA-N 438.532 0.555 30 20 ICED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2)C(=O)O 1815079961 BRSZNVZVJZBKIY-HIFRSBDPSA-N 448.545 0.816 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(n2)OCCO3)n[nH]1 1817963721 VLZKUXIJHWUGOB-CQSZACIVSA-N 425.401 0.970 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819446366 OOOUVEJKJOJEBN-JTDSTZFVSA-N 435.525 0.626 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(C)n3)C2)C1 1831386631 BLBOLKGHJOJUNQ-PFTYNZSZSA-N 427.501 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1831396697 PWTRRBJVLSJIBQ-KSFYIVLOSA-N 426.473 0.671 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1832013533 NUFGZVUEWAHVDX-NLDJYOPPSA-N 428.551 0.741 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470079 VANREKFDPAWZKX-APWZRJJASA-N 425.507 0.110 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1833705082 FNQLQQJTGYVBOZ-KRWDZBQOSA-N 426.583 0.540 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834188785 FXUWYNYAWPDWBQ-OAQYLSRUSA-N 431.493 0.139 30 20 ICED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834413455 BDPMYEOWDZYCND-NGPKUFNOSA-N 449.508 0.502 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066007 FZZVBTQVQWSWAM-FQEVSTJZSA-N 435.689 0.895 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338885 XMOSGZZEGITCMA-AOMKIAJQSA-N 448.520 0.756 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)CC1 1835355720 DBGAXUJLVDDBQA-UHFFFAOYSA-N 441.484 0.731 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835791043 JJHVKTQHMGVPBG-IBGZPJMESA-N 436.538 0.077 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837391047 GTMBPBWNPRVPMC-MGPUTAFESA-N 437.449 0.831 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443549 FTDGCIKFASAXSJ-HLQTZPMBSA-N 430.509 0.327 30 20 ICED Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524325 FXUYMASODGYLNX-DKQKECBASA-N 434.493 0.922 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 1837983477 SXRSZEGZYFVGRR-LPHOPBHVSA-N 449.548 0.989 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)ccc1F 1838069752 HYEHZDFCIZWOMF-NRFANRHFSA-N 443.435 0.439 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1838355354 MFLCZNHHQYDVQS-QFIPXVFZSA-N 444.488 0.623 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838514318 AOKUZWWYHBDAPZ-AVRDEDQJSA-N 435.521 0.804 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)c1 1838580756 RJJYQEZGQJBYID-JOCHJYFZSA-N 437.456 0.741 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1838582497 PFLNELDSEZSZFY-SVMVAKDDSA-N 429.473 0.408 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1Cl 1838598251 XTQWOOPRPGQHLJ-HXUWFJFHSA-N 444.879 0.573 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ccccn45)C3)C2)c1 1838737113 IXYWTCLSIMVCFA-QFIPXVFZSA-N 434.456 0.918 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970264 GEDKPYMVPWDCMM-JPHKLTHBSA-N 447.488 0.991 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838970265 GEDKPYMVPWDCMM-KHLOOKIASA-N 447.488 0.991 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222173 GIYIGCZUWFYDRZ-RIFZZMRRSA-N 426.514 0.158 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839842708 DRORDZRQWQIDHO-BTYIYWSLSA-N 434.493 0.381 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1Cl 1839872953 UJGHWZMTOVDVTA-YCRPNKLZSA-N 446.891 0.418 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013987 BZDYZKOYVWSRQN-KYPGUPDXSA-N 425.482 0.151 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840157819 BLSHFNDHIFMWMW-QYWGDWMGSA-N 439.578 0.552 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(-n2nccn2)c1 1840162354 VDJVIBWFURLOIA-IIBYNOLFSA-N 445.545 0.964 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840163615 LERYJSRCJVRGCG-FOIQADDNSA-N 437.566 0.107 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840174623 OKESQHBJKLPZFF-OPAMFIHVSA-N 433.480 0.977 30 20 ICED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)OCC 1840281690 INWTURMJYQZSAQ-NRFANRHFSA-N 434.493 0.746 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840292223 DKIKIWHILIIDMB-QFIPXVFZSA-N 431.489 0.659 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840293433 BPEIIQZYVLOQIM-PGRDOPGGSA-N 429.521 0.927 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361491 YHNVKMKYAAQHAZ-WZONZLPQSA-N 446.548 0.954 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCOC2)CCO3)cc1 1840871389 GISVKFGQOHGOSY-NFBKMPQASA-N 427.501 0.984 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1841746382 IABMOAYKTYAQOR-LSDHHAIUSA-N 437.541 0.252 30 20 ICED CN(CC(=O)NCc1ccc(N2CCOCC2)nc1)S(=O)(=O)c1ccc(C#N)cc1 25602218 SKXDVWAHSJOOEO-UHFFFAOYSA-N 429.502 0.727 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](O)CS(=O)(=O)c3cccs3)NC[C@H]2C1 305217769 TWDVESPXTMHHGR-KBPBESRZSA-N 444.579 0.763 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)CCO1 410421291 VDFQNXBBPCGUOI-INIZCTEOSA-N 430.486 0.774 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C(F)(F)F 428228531 CNAATVSMYLZINK-UHFFFAOYSA-N 445.379 0.739 30 20 ICED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 429888121 RPGFXVLLBIFZBI-GFCCVEGCSA-N 435.893 1.371 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)n1 430222060 TUKUQZVNNAOVBS-HNNXBMFYSA-N 426.452 1.145 30 20 ICED C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433585635 OOTNSYYVVOVMBS-OAHLLOKOSA-N 439.501 0.648 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434592966 BHKRYGWCDXTSAG-CQSZACIVSA-N 443.547 0.736 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCOC1 441942983 ROBLFCFJZRZIAL-OAHLLOKOSA-N 447.582 0.972 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC 461362191 PYBPGBLGFTXJNO-UHFFFAOYSA-N 440.525 0.856 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1Cl 461369362 CZKSNVTXVRNUOY-ZDUSSCGKSA-N 433.917 0.907 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 463792051 XSCFFPAEAUEFDV-UHFFFAOYSA-N 429.418 0.068 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1nnnn1CC(F)(F)F 465278363 SRVVUFUWMGXCNR-JTQLQIEISA-N 427.416 0.726 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc(CN(C)C)n3)CCCCCC2)C1=O 467175801 KPHFLIQLUMANDQ-UHFFFAOYSA-N 432.481 0.774 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CCc2ccccn2)c1=O 478851232 USTRKICEXJDHHN-MRXNPFEDSA-N 449.536 0.780 30 20 ICED C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OC 481586776 IPTMNKHTWIMYCE-ZDUSSCGKSA-N 425.912 0.907 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 491245928 AHDGSUCONGNVJC-UHFFFAOYSA-N 448.911 0.255 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509724323 LOORHYWJAKRUPJ-QGZVFWFLSA-N 449.533 0.004 30 20 ICED Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N 521770287 LUELLDDHZQXKSG-UHFFFAOYSA-N 447.561 0.423 30 20 ICED CC(C)(O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 532956462 RGIIQBAHOLXREL-UHFFFAOYSA-N 442.520 0.843 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC(=O)c2ccc(C#N)cc2)c1 552321922 SLFWIBBHJCIDJG-UHFFFAOYSA-N 428.470 0.537 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1OC 562177581 ZCCMZFZWUULXAH-KRWDZBQOSA-N 445.497 0.993 30 20 ICED CC(C)CS(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 562186672 BECYSVCJDGARAC-UHFFFAOYSA-N 442.563 0.403 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCCCC2)CC1 563462671 PSBIDEGYHOHWOD-UHFFFAOYSA-N 441.576 0.735 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 571809663 VQRNKINBZDTIOB-GFCCVEGCSA-N 426.572 0.951 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 577946375 FFKRWHHOBZNCKJ-UHFFFAOYSA-N 446.485 0.794 30 20 ICED CCCN(CCC)S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 579034837 TYPHUBDJXMQLPX-UHFFFAOYSA-N 443.595 0.711 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CN(C)CCO1 589139039 LUJYVQNCMCAHBB-UZLBHIALSA-N 436.516 0.590 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 589159210 JDRFBZKWXRZIHH-UHFFFAOYSA-N 434.315 0.886 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1 589179861 ANFWCORONJQWLM-UHFFFAOYSA-N 444.532 0.705 30 20 ICED CN(C)CCCOc1cnccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589528374 FVTURCAUDWYVBW-UHFFFAOYSA-N 431.518 0.878 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c1=O 611297158 WPTLQKNWPLQSCD-UHFFFAOYSA-N 446.471 0.561 30 20 ICED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 727174928 KEENNCOOCVKPOP-MRXNPFEDSA-N 436.534 0.460 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 728536208 OSPVLBCYKQBQKY-UHFFFAOYSA-N 426.926 0.098 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CCS(C)(=O)=O 729673093 DLCPQRLNOZMZDX-UHFFFAOYSA-N 447.582 0.601 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742245416 HJRLUGLAFDCJDJ-IBGZPJMESA-N 446.463 0.995 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 746256611 SEEGDYHRFNAEDO-UGNPLGLKSA-N 437.500 0.853 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 747262275 PZOFZCGHQLEUDN-UHFFFAOYSA-N 430.324 0.513 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 756763592 CLTPKHGFUDXXGH-INIZCTEOSA-N 432.498 0.893 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 757902948 WVKSNBITQKQAPL-UHFFFAOYSA-N 433.509 0.766 30 20 ICED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(CCOC)c2)c1=O 758075410 HTKAQLGUMHHCJA-UHFFFAOYSA-N 449.540 0.255 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763444934 GMHXMIIUJYTYLM-UHFFFAOYSA-N 428.514 0.327 30 20 ICED CCOC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 769830964 TUAJEEGMTTXETG-UHFFFAOYSA-N 437.474 0.181 30 20 ICED O=C(COC(=O)C#Cc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 773453529 PKLIRWNCYDIWCL-UHFFFAOYSA-N 442.493 0.919 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1 783346668 GTERWEQOHYDVLK-UHFFFAOYSA-N 446.485 0.998 30 20 ICED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 784847707 CFFCFBQDGVZGBL-MRXNPFEDSA-N 449.577 0.545 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)N1CCCC1 799272027 VUKLKSOPTCLFPT-UIFJYSFJSA-N 449.533 0.565 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1 807548436 XHQFIEJUQHZNBS-OVEYAIEOSA-N 435.506 0.162 30 20 ICED C=C(Br)CNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 808815567 SZEFVSSLPAAIQI-AWEZNQCLSA-N 426.267 0.950 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 810046369 RAEPUOHQIQTZQR-UHFFFAOYSA-N 439.497 0.946 30 20 ICED CC(=O)N1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2C1 816744645 XAUNCPLZDVTNGY-KDURUIRLSA-N 430.530 0.896 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1 861114206 GWEWNTWJPOEDNA-UHFFFAOYSA-N 427.548 0.580 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 1116477830 NCNIYYGGWDALOM-CABCVRRESA-N 440.595 0.502 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(S(=O)(=O)CC)C1 1157911510 XXTNSQUXAGLJEB-HNNXBMFYSA-N 427.548 0.929 30 20 ICED CC(=O)N1CCN(CCn2c(N3CCN(C4CC4)[C@@H](C#N)C3)nnc2C(C)(C)C)CC1 1286889218 GYKAOSPEXNEVDV-IBGZPJMESA-N 428.585 0.916 30 20 ICED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1287033393 NUBIMRXGRBHTNI-OXQOHEQNSA-N 436.582 0.593 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2(O)CCOC2)c1 1316529010 LIKUIMBJFGWQSF-NRFANRHFSA-N 426.477 0.439 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1319824436 BWQHSSVKCUDLOZ-MAUKXSAKSA-N 426.516 0.064 30 20 ICED CC(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1509281076 SVLQHEUIGYXCJZ-HZPDHXFCSA-N 426.543 0.776 30 20 ICED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1515841352 AVDGTHRGSOHTIU-IXDOHACOSA-N 439.586 0.691 30 20 ICED COc1ccc2ncc(C#N)c(OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 1656691776 XSGMOAVDBYUKGO-MRXNPFEDSA-N 444.513 0.825 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1687426430 IVIOTUVSVVBXKZ-PMACEKPBSA-N 428.537 0.913 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1728817357 LRXUZHGABQUGDY-DBXWQHBBSA-N 434.541 0.627 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777782403 KXLNPGXTXRORPP-ZHRRBRCNSA-N 442.520 0.758 30 20 ICED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)n1 1779245127 QYTJQHKGEQKMSL-GCVSMSDNSA-N 446.556 0.305 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1779318843 OEZHKMQZQGAGLA-NIJIEXERSA-N 442.516 0.908 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1Cl 1780191627 GNSSSLPQQAVIGP-QRWLVFNGSA-N 433.896 0.248 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)ccc1F 1780755937 SKNIBXFKBBUDGK-LYHRCORUSA-N 442.491 0.890 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1)C(=O)O 1781011582 VVTQKVPUVCWLJK-YCRNBWNJSA-N 442.516 0.943 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1781825154 QBNKFBUGGNCMEN-IVZQSRNASA-N 432.473 0.891 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782187819 OYMQVXLEDWHXIT-QIYDDFJZSA-N 437.566 0.289 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C)CCO2 1783049316 UHPIWAKEFFYBGL-HOIFWPIMSA-N 435.521 0.769 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCOCCOCCOCCOC)CCO2 1783917850 QWYPSZOODFCCDL-OAQYLSRUSA-N 428.526 0.479 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784384957 AYHFVHNUVLQYCF-VJANTYMQSA-N 449.548 0.655 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788140891 GLODCXZJFVHMOZ-XSWJXKHESA-N 432.546 0.638 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21 1788656769 SGZSUFDFSLMDNO-RIUAQFLGSA-N 433.461 0.971 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788746692 PUNLTYJHENXFKS-VMXHOPILSA-N 431.533 0.962 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])C2 1793345660 YPVMDWWBKVWZII-VYGYDYRJSA-N 447.444 0.551 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793603100 IHGLUIFMHLETKB-IBEHDNSVSA-N 443.566 0.530 30 20 ICED 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]1C[C@H](O)CN1)C2 1793833686 HQVNZEVAGJBELK-MULDDASSSA-N 436.553 0.817 30 20 ICED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1795274535 BNRXBOVGSYWJSA-BBIADKPPSA-N 434.496 0.776 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)c(O)n1 1795690230 JJVTVRRSMIWQIL-IVWMJMPLSA-N 427.461 0.852 30 20 ICED 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)C1 1797218430 MLDGURKNYQISMC-APAFKAMOSA-N 449.548 0.871 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC=O)cc1C#N 1799295894 STUYNTASQXOVLR-DEYWJSPQSA-N 428.489 0.683 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)ccc1F 1799327563 JZEYBWZUWULRQG-YVWYUNDQSA-N 425.420 0.227 30 20 ICED 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]1C[C@H](O)CN1 1799923440 ABGWYMZHHXJUNU-MGDUJGQVSA-N 448.564 0.817 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)c([N+](=O)[O-])c1 1801990301 RMNRZCQGWSFEJS-BTTYYORXSA-N 429.385 0.721 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1802125522 YARJDKDTZWWKAU-HLPPOEQASA-N 449.533 0.658 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802222333 WXUKMZDTDCNJDT-WCXIOVBPSA-N 435.521 0.672 30 20 ICED 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]1CNC(=O)C1)C2 1804377206 VCVKLHQFUYOJII-KSWRQPAISA-N 432.521 0.677 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1807123861 DUCRROSFMPEDHX-SCTDSRPQSA-N 429.521 0.963 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1813335462 DPYPRLVSUUJUMN-DSKINZAPSA-N 437.504 0.862 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820193273 VNJHXBKIMPAHML-NOLJZWGESA-N 438.550 0.779 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1820892777 BKRJUXLKGFAEJM-AWEZNQCLSA-N 446.464 0.463 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)N2CCOCC2)CC3)c1 1821604694 VWVUMZZBEHHYBY-KPZWWZAWSA-N 430.490 0.219 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1828281171 IRPOIZRGHDJMJU-ZYHUDNBSSA-N 438.506 0.282 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830955919 SBQNFDKGZQLEOU-LJQANCHMSA-N 426.464 0.939 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1831401463 CFKUUTBMEHPGBH-YYDVJCTNSA-N 429.517 0.755 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)CCC1 1832210362 BQPRPPAPXCPSHX-QFIPXVFZSA-N 438.488 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)C(C)(C)C)CC2)CC1 1833074405 NMFUGCVXFPYGTI-IZRJCCQOSA-N 434.581 0.823 30 20 ICED C=CCCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)c(O)n1 1833219962 QTDAECZSOBNLDO-UHFFFAOYSA-N 432.521 0.402 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1833864784 LGJRNOUZQPUBEJ-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833865236 NFJXGKNXLDSHDS-IERDGZPVSA-N 436.509 0.072 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834760134 HOKFAOASUKDXKM-FQEVSTJZSA-N 435.502 0.139 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc([N+](=O)[O-])c1OC 1834765166 MGRQNCBIZNZGKO-HXUWFJFHSA-N 448.432 0.596 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834771959 VYVRWEORCZIZIT-UHFFFAOYSA-N 433.509 0.810 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835132381 WVDKPLMARCGRIS-HSZRJFAPSA-N 449.596 0.601 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)C1 1836424742 ARNJKXBYEXGMEQ-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147795 UHUOTOQSBNSGEC-WAIKUNEKSA-N 441.484 0.038 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc4ncnn4c2)CCO3)cc1 1837168994 GVWRINWJUJBNMM-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837391824 WRSSMEIYMJNVPZ-FOIQADDNSA-N 438.912 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837399002 LIMDTVASWPDQPT-YWZLYKJASA-N 438.912 0.773 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1837524218 CAYDIVWYJPFLDZ-KRIYTASASA-N 438.506 0.742 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907054 WHNWVCIOBXKVLH-KSFYIVLOSA-N 428.489 0.495 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839234419 AINONNGTSQSNKT-OAQYLSRUSA-N 443.891 0.440 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc4ccnn24)CCO3)c1 1839499127 LJCFCLLIHMSFOM-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4cccc(F)c34)CCO2)C1 1839598045 OKDVLEJWFSTBJU-NYHFZMIOSA-N 444.463 0.810 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3c(O)nc4ccccc43)C2)C1 1839809789 LUVDVGYMEJOKDE-JOCHJYFZSA-N 426.473 0.612 30 20 ICED Cc1cccc(C)c1SCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042532 ZPCQBEASZQAPCV-QFIPXVFZSA-N 446.525 0.940 30 20 ICED COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840165857 MDALTAFHSXXITO-IIBYNOLFSA-N 438.546 0.987 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(Cl)c1F)CCO2 1840752483 PDJBZBYGISLCLM-LJQANCHMSA-N 442.802 0.776 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843359315 KNJXNWBJYFUWJG-ZDUSSCGKSA-N 445.476 0.621 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847343967 DRUSMRFQZRCXQE-TWJGEFDFSA-N 449.552 0.929 30 20 ICED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 19054864 XNVPKLLUPVISBV-UHFFFAOYSA-N 425.207 0.298 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 24970148 KFLSLHDYQPWNON-UHFFFAOYSA-N 427.479 0.941 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 409594019 KEFQNVTWYMOZIC-GOEBONIOSA-N 430.552 0.570 30 20 ICED CCC1(CC)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCS1(=O)=O 427777459 DGHVCXGUIBYJNN-UHFFFAOYSA-N 430.490 0.893 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)c1C 439403281 NUHWXQJCGPEDBV-UHFFFAOYSA-N 430.490 0.579 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 444769249 HTSIKPBRLBQGOY-AWEZNQCLSA-N 439.925 0.347 30 20 ICED COCCNC(=O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446633273 XSVZAOWAYUQQIZ-UHFFFAOYSA-N 444.536 0.733 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCOC1 461593611 FVMHGVFPBCCABC-HZPDHXFCSA-N 439.524 0.830 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 463705066 OCHNCTUSOVJEBK-UHFFFAOYSA-N 429.502 0.979 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 476198197 FJYWLUHCDFACEY-UHFFFAOYSA-N 441.575 0.486 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 481044133 HQRNORTWSWTMQP-QZTJIDSGSA-N 430.530 0.633 30 20 ICED CCN(C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1)S(C)(=O)=O 481781283 CFTRSLMQSLVZIP-CQSZACIVSA-N 442.563 0.498 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCCO3)c2=O)o1 489015081 PMTLSZXWKRIFPU-GDBMZVCRSA-N 444.509 0.937 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 493972918 DQSCQGRLNZJLOM-UHFFFAOYSA-N 434.518 0.573 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502048875 HJRBLIMRNGQPLB-UHFFFAOYSA-N 437.525 0.597 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503118826 QHUPRNLHOXDKSE-KSZLIROESA-N 433.534 0.819 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 505998912 ZVEWWHWOOUMZJL-GDBMZVCRSA-N 437.518 0.781 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507641584 SAFAIIYBTUYSGH-GDBMZVCRSA-N 445.505 0.302 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)n1 508324410 JVBWZQJDYIVYQU-UHFFFAOYSA-N 429.396 0.705 30 20 ICED CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Cl 508347789 ZOJPLTUNWGRQMC-UHFFFAOYSA-N 447.883 0.805 30 20 ICED C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCO[C@H](C(N)=O)C1 508956072 MLVKTHFXHFYHOY-KRWDZBQOSA-N 446.533 0.606 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C(C)=O)CC2)cc1 518594557 MWIXDYJXZZXARS-UHFFFAOYSA-N 441.532 0.720 30 20 ICED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519791921 JLVQNNOVZXAZQD-HDICACEKSA-N 433.578 0.854 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CCOCC3)CC2)cc1 522343163 HPUXRCDFLNWIHP-UHFFFAOYSA-N 448.545 0.797 30 20 ICED CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523125581 CPWRMVIJHLQVSM-UHFFFAOYSA-N 444.473 0.831 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C 533380986 ZZPNBIPZEUVGRA-QUCCMNQESA-N 434.562 0.638 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C 553807149 AJDFFCIEXGKXRB-OAHLLOKOSA-N 427.484 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 560979580 GFZPZFXLTVTFAX-HOCLYGCPSA-N 442.563 0.355 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 572038010 QMWOJTDMCLOGCU-QGZVFWFLSA-N 448.483 0.532 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCO1 572685501 WOLJNYDZZGROMB-MRXNPFEDSA-N 433.490 0.614 30 20 ICED C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 573756814 KZCWDJHOYXDSCK-RHSMWYFYSA-N 427.505 0.537 30 20 ICED CS(=O)(=O)NC1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCCCC1 603788277 PVHPBAOBHFPLNP-UHFFFAOYSA-N 427.548 0.841 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c(C)c1 604270179 RMXGNRACJGGGSM-UHFFFAOYSA-N 440.569 0.890 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828295 NHJHDXUANSTGJX-UHFFFAOYSA-N 447.520 0.812 30 20 ICED CC(C)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 609040709 MJYUQOLTUMWENO-UHFFFAOYSA-N 433.578 0.807 30 20 ICED C=CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 609970829 LPMXSPOXTGQPOJ-AWEZNQCLSA-N 431.492 0.417 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 619684558 UQHOYOCMHMUASG-UHFFFAOYSA-N 438.412 0.878 30 20 ICED C=CCc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 641966709 FEAPXEXVDKJDAB-IBGZPJMESA-N 425.551 0.349 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H]2CCCO2)C1=O 726403768 NAOBFLZKBPZBMI-IAADXIDXSA-N 440.547 0.449 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccncc3)c2=O)c1 726579695 NKTRWZJFJAEQBG-UHFFFAOYSA-N 430.489 0.541 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccs2)c1=O 729675041 RBFLKTGMVJIGAI-UHFFFAOYSA-N 437.568 0.141 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cc1 743936041 YHPSQJNIKAGOMC-RNWAHURQSA-N 448.505 0.021 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 749666263 GTIADIRNLHLGOS-UHFFFAOYSA-N 445.589 0.933 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 758068502 LZEYWWYIZSBGGY-UHFFFAOYSA-N 427.489 0.805 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 758641510 BPULJZJZOMRIBQ-FZMZJTMJSA-N 430.508 0.371 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2(C)OCCO2)cc1 759427969 YDRVVZHWWHENLN-CJLVFECKSA-N 438.506 0.707 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 762207188 PJORSXFCVWLCLB-SFHVURJKSA-N 434.514 0.505 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1ccnn1C 765641536 MCXZUORMHGJECP-ZDUSSCGKSA-N 439.519 0.523 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 771388145 JZCNTPAPPYBCNP-QFIPXVFZSA-N 443.504 0.537 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cn(-c3ccccc3)nc2C(C)(C)C)c(=O)n(C)c1=O 771888090 ADTXCPLFKWLZTM-UHFFFAOYSA-N 444.517 0.880 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCCN(c2nccc(OCC)n2)CC1)c1cc[nH]n1 772410006 VSTXKRIKVNNLDD-UHFFFAOYSA-N 445.480 0.621 30 20 ICED N#CCCN(C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 785663431 PDTXVVAZKDZHQI-SFHVURJKSA-N 428.489 0.657 30 20 ICED Cc1ccc([C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)cc1 787787509 MEOXOAKNFBSGBV-FQEVSTJZSA-N 436.516 0.980 30 20 ICED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 799003952 WUMIVSNYECSOPA-HBIPHATFSA-N 435.531 0.181 30 20 ICED C#CCC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 799081859 PKIFOSMJGBVHHA-FUHWJXTLSA-N 435.546 0.961 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5ccc(C#N)nc5)CC4)CC3)ncnc21 801551827 UDJSUZSAHPRCKD-UHFFFAOYSA-N 446.519 0.101 30 20 ICED C#C[C@H](NC(=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@H]1CCCO1 804104434 JKXMORVCJHEFNC-AZUAARDMSA-N 427.501 0.642 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)n1 807663076 ISXGFPYLDDBZJA-UHFFFAOYSA-N 438.532 0.919 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(O)cc(C#N)c3)C2=O)cc1 811188239 XGDYLIZQVQNHLS-NRFANRHFSA-N 438.396 0.928 30 20 ICED COCC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916710056 AOTHHZLTHSJIQM-HEHNFIMWSA-N 437.522 0.822 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 918270930 ZUPXVGFHHKWPQG-UHFFFAOYSA-N 446.464 0.799 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 920249214 NGBTVLLMQXKJEN-DLBZAZTESA-N 440.543 0.406 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1=O 1115994955 IYJGIOZRHKBFLI-UHFFFAOYSA-N 438.440 0.498 30 20 ICED N#Cc1cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(Cl)cc2c1=O 1116668490 KHRVUARTZMCOCB-MRXNPFEDSA-N 448.932 0.858 30 20 ICED N#CC1(c2ccccn2)CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 1116917565 JEOFUPLLPWLZGI-GOSISDBHSA-N 431.562 0.270 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1288994280 CALGNWZPEKENFC-RTWAWAEBSA-N 426.477 0.582 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nnc2n1CCCCC2 1360248050 LHAOPYFUOTYUHC-HNNXBMFYSA-N 427.513 0.706 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1516023676 LXFBOQYPQZFFNG-XLIONFOSSA-N 446.533 0.486 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1769367345 XUFDJANXKFBUCH-UHFFFAOYSA-N 431.522 0.471 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1771359043 UMECIWZYXPVFIJ-HNNXBMFYSA-N 429.506 0.034 30 20 ICED 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ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1837491001 SWNXVXOKVNWQJP-HSZRJFAPSA-N 443.500 0.089 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837491677 TYBGDFWNPUIPPL-JOCHJYFZSA-N 428.489 0.245 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837526051 BJVCXLIVOUDVFQ-XGVOGHQPSA-N 448.476 0.386 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837563338 WUPWYBOTHOCMIG-ZJHLSYPMSA-N 429.477 0.360 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1837664346 MISZAYFTMKPLHL-GCJKJVERSA-N 439.553 0.586 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1 1838332160 NOFPSSCNWDYRPY-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759071 TWBMHPCFTSHMAF-JTSKRJEESA-N 449.552 0.676 30 20 ICED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1 1838831570 SVPPFACGWQQQOS-IIBYNOLFSA-N 449.508 0.746 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1838952805 ISMLZOZOVQRCSJ-HXUWFJFHSA-N 442.501 0.539 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5CCCO5)C4)C3)c2c1 1839489453 WWCPVSKVOUCAQE-AVRDEDQJSA-N 439.472 0.684 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663610 FJSNCFCNFSYAPM-XMSQKQJNSA-N 430.505 0.468 30 20 ICED Cc1cc(C)c(OCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840040244 SDVPXSGHOCGCMF-QHCPKHFHSA-N 444.484 0.535 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840163617 LERYJSRCJVRGCG-MGPUTAFESA-N 437.566 0.107 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840167971 YKTGAYXEOPEXCV-QFIPXVFZSA-N 429.473 0.726 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]3(F)Cl)CCO2)C1 1840243675 GERNXXJGTBPPCI-JVPBZIDWSA-N 430.908 0.649 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c(O)n1 1842297591 UPLVXRUAEJOIMO-HXUWFJFHSA-N 430.505 0.373 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccn2)C1 1845770423 UXLDPHXOYIENIG-INIZCTEOSA-N 428.489 0.913 30 20 ICED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433357501 WEXJUAJNENHZGE-LBPRGKRZSA-N 437.293 0.281 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCN(C)CC1 440392089 QDUKXEXDMGNKPU-UHFFFAOYSA-N 425.514 0.669 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 441915950 AKASEGVGBBDBSP-ZDUSSCGKSA-N 428.539 0.909 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 446326467 ZBPPPIGSXVBGAM-PBWTXFEYSA-N 427.482 0.396 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 447006603 MJFBUCRAVBXAQC-QGZVFWFLSA-N 441.532 0.696 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 467285367 DZKUUTAKLUQZEB-UHFFFAOYSA-N 445.911 0.549 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 471456187 YEEFKKCWIMQAMX-RHSMWYFYSA-N 429.456 0.730 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1=O 478574317 FYFZLXJBVYZKGQ-CQSZACIVSA-N 449.261 0.425 30 20 ICED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cc1 480964459 YNMZCAUCLGKJPZ-UHFFFAOYSA-N 449.492 0.686 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(CC)CC)cc2)CC1 491031507 CYLWOXABKSJLQY-UHFFFAOYSA-N 443.548 0.482 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 506753648 KVXMUCKSLSDQSG-NWDGAFQWSA-N 430.433 0.932 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 511656473 SQDSUQIAOPDCFM-QGZVFWFLSA-N 426.498 0.818 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 511917114 RVUFCHLLLVHFFL-UHFFFAOYSA-N 429.868 0.357 30 20 ICED CCN(CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)S(C)(=O)=O 514097540 YFTYGKYAFSZQGU-UHFFFAOYSA-N 436.469 0.609 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 518009427 JEXFWHPGBCHDKQ-LZWOXQAQSA-N 436.490 0.174 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OC)nc3)c2=O)c1 524232679 DBHNEKMOCSAQNR-UHFFFAOYSA-N 436.493 0.950 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 525019351 OZAIOQDDOKLMGQ-UHFFFAOYSA-N 433.490 0.459 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 532799974 VDCJPMLVCSCLIG-UHFFFAOYSA-N 448.907 0.749 30 20 ICED C=CCc1cc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1O 538738326 NPAQKIXLDCCNDQ-SFHVURJKSA-N 437.562 0.550 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 540790677 NSSAQRWSSKGBDG-UHFFFAOYSA-N 430.914 0.727 30 20 ICED N#Cc1cccc(OCCOn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 542051454 QTCGIWLHTHTPBB-UHFFFAOYSA-N 429.458 0.831 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 548820083 FCDWTZZKEDIVJW-UHFFFAOYSA-N 434.522 0.961 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 555260746 KFBXJIVZEVFVLW-UHFFFAOYSA-N 428.559 0.481 30 20 ICED COc1cccc(N2CCC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 558040022 AYBHFHSYSNBRFX-HNNXBMFYSA-N 439.520 1.048 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1CC(N)=O 558682067 XPBSYZDIPYJHHQ-UHFFFAOYSA-N 441.538 0.585 30 20 ICED C[C@H](c1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1)N1CCOCC1 560824585 OLYUHVKEMSHPMD-CQSZACIVSA-N 425.493 0.944 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 560979581 GFZPZFXLTVTFAX-ZBFHGGJFSA-N 442.563 0.355 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCC1CCN(CC(F)(F)F)CC1 567958241 DTAPFFQMEMITNI-UHFFFAOYSA-N 443.474 1.035 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)cc1 579534742 JPCSCOWDZLIYFB-UHFFFAOYSA-N 438.440 0.653 30 20 ICED CN(C)CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603593012 HPJOKEJPTSRKAD-UHFFFAOYSA-N 447.561 0.191 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(=O)N(C)C 611492466 JXOYCGRHLSJYDP-UHFFFAOYSA-N 444.532 0.865 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CC1 729281437 AMOLXNQKMHMHEJ-UHFFFAOYSA-N 431.537 0.161 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 729671159 JJVRRBYFQGAMBV-UHFFFAOYSA-N 445.566 0.353 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCS(=O)(=O)CC1 732121609 SDVMMOKANSJLTA-HNNXBMFYSA-N 427.548 0.787 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)Cc4ccc(OCC#N)cc4)CC3)ncnc21 732363937 OEEDKSLFKXSAIL-UHFFFAOYSA-N 449.471 0.700 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)CC1 733150803 WFIIUBCPYCWJLV-UHFFFAOYSA-N 427.530 0.602 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)ccc21 735765850 SFSUNGJDUWUNKV-GOSISDBHSA-N 428.489 0.966 30 20 ICED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 735841466 RGRVSIYOQFIZKQ-APOCOGJHSA-N 425.445 0.877 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(C)cc1C 743725592 VMSBOYAHSRKUGL-UHFFFAOYSA-N 437.525 0.608 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 754319352 JLOJXCSFOZXMLJ-UHFFFAOYSA-N 439.335 0.767 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OC)cc2)c1=O 758070499 UIBFSKPYUCVIPP-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 758075891 BIZSGBCOCAQPEY-UHFFFAOYSA-N 445.447 0.958 30 20 ICED C[C@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 768250008 LLXBJBUGJWWSPB-QAPCUYQASA-N 427.548 0.612 30 20 ICED COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 781455488 CYKOLDHBPYVKJJ-UHFFFAOYSA-N 427.417 0.924 30 20 ICED CN(C(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C1(C#N)CCCCC1 786994323 BPZJCASFZFFYMZ-SFHVURJKSA-N 434.537 0.928 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787759211 MGEOKNBTAHSKMP-QGZVFWFLSA-N 441.536 0.027 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1[N+](=O)[O-] 790008072 GSSVGWFCBXIHSQ-UHFFFAOYSA-N 446.507 0.789 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cnc1Cl 794623403 NBLBNQKDVMKDHV-CYBMUJFWSA-N 446.916 0.251 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1 808900498 PQYGWQWSWJDLGX-HXUWFJFHSA-N 436.516 0.889 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838691914 YXSPYQREOMMWHQ-UHFFFAOYSA-N 445.451 0.176 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1C1CC1 839376474 NHQGUYHBPPCXIV-UHFFFAOYSA-N 444.557 0.575 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCNc3ccc(C#N)cn3)CC2)c1 919813592 GCYMUFZRSWTCMX-UHFFFAOYSA-N 442.545 0.942 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 920397152 XJEWLYYNPNQYDY-UHFFFAOYSA-N 431.521 0.926 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1303809034 OGJHGZBKYZZAPT-YWZLYKJASA-N 447.565 0.463 30 20 ICED CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1316341671 PYSKQCMYMUOXHO-UHFFFAOYSA-N 449.558 0.876 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(F)c1F 1319519534 AJYAXDDLAPXMOX-UHFFFAOYSA-N 445.451 0.176 30 20 ICED COC(=O)c1coc(C(=O)/C(=C(/S)NCCNS(C)(=O)=O)[n+]2cccc(O)c2)c1 1326745829 OERTVCVBCYDKKO-UHFFFAOYSA-O 442.495 0.137 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1505317035 INJUEXISQZDZRE-AWEZNQCLSA-N 448.409 0.709 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1508426564 VETCTBSZSSWPRJ-DZGCQCFKSA-N 429.568 0.601 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1555985635 SMUHZVCWXURMKA-YOEHRIQHSA-N 428.559 0.671 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1618762748 WDJFOSGLPLDYFM-UHFFFAOYSA-N 425.493 0.671 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 1623627950 SIGLTYRTCXJFRF-SFHVURJKSA-N 441.463 0.931 30 20 ICED CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1746495515 ULIMZXITDVTTMO-CABCVRRESA-N 436.538 0.215 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1760301334 YITMSMHUWVMSHQ-QMTHXVAHSA-N 435.348 0.499 30 20 ICED CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1764559219 UTYAONNGXLSVDF-UHFFFAOYSA-N 439.524 0.536 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778478542 QPTPCRIWXSTDHK-NRFANRHFSA-N 427.461 0.682 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063231 PKSAAXMJAZPGOQ-HXUWFJFHSA-N 433.534 0.722 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062815 SWVBRHYYEZEXSJ-LJQANCHMSA-N 433.415 0.744 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1780169577 SUZZBZOZJLKEMJ-JOCHJYFZSA-N 426.473 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1780745889 TXYDZVRLUPJVLS-DYRFGFBLSA-N 429.473 0.703 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295977 SASFZOWLPPHURD-FQEVSTJZSA-N 437.493 0.504 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195326 YICPRBWXQJTGGB-HTAPYJJXSA-N 438.488 0.793 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782334111 BZGJHJXYSGNYTA-IYZQMXKPSA-N 435.484 0.932 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21 1783531037 IDKCFPLIFKSUQI-LYGXWFJISA-N 441.532 0.740 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3cc(F)cc(F)c3)[nH]n1)CCO2 1783557155 HPVGNTKSEVJATC-NRFANRHFSA-N 444.394 0.886 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)[C@H](O)c1ccco1 1783566769 ZWIIZTVAMZKFHB-CYEHHEDASA-N 435.477 0.822 30 20 ICED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)C(F)(F)F 1784875057 YGZBTUYPLSSJHH-ICBPNNDLSA-N 431.411 0.992 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1785280113 LDKCYJQPVXLSBI-GAJHUEQPSA-N 427.501 0.870 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787412381 YQJPXGDTJMUNEF-RESYIPQXSA-N 425.529 0.719 30 20 ICED 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431.537 0.934 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838904831 XIXZLUGSTMERMM-FUMRIQNTSA-N 438.484 0.487 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839227130 KDCCVLWZWMVUBE-WWMYMODYSA-N 425.526 0.817 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361814 GCNJDGYLCLJWGZ-SBUREZEXSA-N 442.516 0.689 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c(Cl)c1 1839423490 FHGBBDVOIKKKPU-IBGZPJMESA-N 430.852 0.714 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839874531 BQEFVHHBUIWPJJ-KSFYIVLOSA-N 447.919 0.673 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1)C(F)(F)F 1839892671 ALHUOTXZOFQLLV-YIOZNXECSA-N 431.455 0.902 30 20 ICED C#CC(=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 1840010099 JAYPNQWMDOWOGP-UTAOTPEMSA-N 433.505 0.189 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840360641 KJNJWFWNUIYGKQ-YWMUFLPLSA-N 436.578 0.925 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540656 BMQGYMMNHCYITP-XMSQKQJNSA-N 429.473 0.430 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)Cc4cscn4)C3)C2)CCC1 1840813740 SBAXPGJEVHJMKL-OXJNMPFZSA-N 433.534 0.163 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840852725 XQYWCQSSUZFIAX-ZJSXRUAMSA-N 441.528 0.799 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1840956163 GXZSXNALONKOOJ-HXUWFJFHSA-N 436.509 0.804 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844764335 CTKHFRYYMQQTRN-CQSZACIVSA-N 429.477 0.504 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1845861489 NDFKFRDVWDBMSV-IAGOWNOFSA-N 442.516 0.864 30 20 ICED CCOC(=O)c1c(NC(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)sc(C(N)=O)c1C 31805755 WBRQRRJPBSNCNS-UHFFFAOYSA-N 446.441 0.791 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 62687131 FHKKBFSJPXFEST-UHFFFAOYSA-N 426.477 0.442 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 409493066 ZMAPSHKAYWTTFG-ZDUSSCGKSA-N 444.535 0.147 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)C1=O 410177798 ICQVPIJDBOJOBE-MRXNPFEDSA-N 442.520 1.202 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)n2)c(F)c1 427699031 VRHAWRNMIBWHIX-CQQCSRCPSA-N 447.470 1.447 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)C2)nc1 428776930 CRNIQZBZFIEARC-GBESFXJTSA-N 448.545 0.601 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 437072536 CWAFXTVZPHFUIN-UHFFFAOYSA-N 447.455 0.561 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)C[C@H](O)COCc1ccccc1 438696748 JHGVAIKQEQXSTG-IBGZPJMESA-N 448.483 1.422 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 462100923 WGTIHCOYWADCMZ-UHFFFAOYSA-N 443.475 1.478 30 20 ICED C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1 466152648 YNCAJNZAENPTQG-GOSISDBHSA-N 448.593 0.458 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 478892035 CNQWRMHGKAFHRI-SFHVURJKSA-N 436.534 0.360 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 482834984 CFACNIVQHQPUDH-LZDZAVHKSA-N 442.497 0.148 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1 498995153 LIVKJSGLQRJZCG-UHFFFAOYSA-N 428.489 0.815 30 20 ICED CCN(CCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 505354858 ZZUSJEQXBWRDNZ-INIZCTEOSA-N 435.506 0.551 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n(C)c1=O 505384842 RWGQTIMKZFPNKW-UHFFFAOYSA-N 439.451 0.183 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 506906928 DSOAALOEDGAEBQ-KBPBESRZSA-N 432.506 0.412 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C 509386003 POGABGIZKPAGAP-UHFFFAOYSA-N 443.554 0.565 30 20 ICED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512025570 PJJJOVCVUSOLII-UHFFFAOYSA-N 440.485 0.278 30 20 ICED CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513285095 VBSXHBLTXYLXBT-UHFFFAOYSA-N 429.408 0.738 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 513413590 KWRKBRFLJBZUSK-UHFFFAOYSA-N 434.499 0.788 30 20 ICED CCS(=O)(=O)c1ccc(N2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)cc1 515533766 FCBBPZVOQLGMGM-UHFFFAOYSA-N 431.522 0.912 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 523743693 CWPYCFCAZQWEIP-HNNXBMFYSA-N 445.541 0.609 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1(C(N)=O)CCCC1 537859261 BQDFSICIDCSLCP-UHFFFAOYSA-N 433.534 0.121 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 551187129 ATHGIFZEEUAYCK-UHFFFAOYSA-N 446.939 0.187 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1F 553078987 QATTYFRJFYKDTO-NSHDSACASA-N 440.478 0.911 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)CC1 553328502 UARDQBSXPMNULB-UHFFFAOYSA-N 428.533 0.675 30 20 ICED COCCS(=O)(=O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 555656869 LMIHBKLHIRAWDW-UHFFFAOYSA-N 434.522 1.058 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1=O 560050759 DWTOHJBMESIHON-UHFFFAOYSA-N 445.277 0.702 30 20 ICED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561642069 IJZXFFFCXMVUFH-HKUYNNGSSA-N 434.468 0.283 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 567773196 ICAPFJNQHHZILY-DZGCQCFKSA-N 427.431 0.831 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)nc1 578564171 KKOWMCCQBMWNAR-MAUKXSAKSA-N 447.451 0.863 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1(C)C 588345910 YRRVAFLQXZUKJV-UHFFFAOYSA-N 443.552 0.214 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCN(CC#N)CC3)cc2)CC1 609330864 ZNSZEELPRJXTPC-UHFFFAOYSA-N 433.534 0.257 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccsc2Cl)c1=O 616254736 QHRZAKWQWOPCHH-UHFFFAOYSA-N 436.946 0.495 30 20 ICED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 670227596 WMZUINSNYMXXHO-HZPDHXFCSA-N 428.559 0.477 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCS(C)(=O)=O 729673111 FDGAIQDRTSWGEJ-UHFFFAOYSA-N 447.582 0.601 30 20 ICED CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496321 LMRWGFMVQYOWOU-OLZOCXBDSA-N 438.506 0.917 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746555277 PSEWKZQOSWKKDX-UHFFFAOYSA-N 444.469 0.655 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1cccs1 746888515 XBJOCIQOOJRRDP-UHFFFAOYSA-N 442.544 0.271 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1 750874072 FMRGJDOIHBRHOO-UHFFFAOYSA-N 434.455 0.402 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 757586173 CLMIKEVXURTFSQ-GXTWGEPZSA-N 433.490 0.600 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758049069 CSMHDBWYQOPTLG-UHFFFAOYSA-N 444.472 0.836 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 761033139 RSSBDNWPBDDNGR-KRWDZBQOSA-N 449.577 0.581 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763446632 OZIRTOIFPKDYCG-UHFFFAOYSA-N 442.541 0.763 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766253553 CRHQJTGVGYGDJL-SFHVURJKSA-N 446.529 0.619 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 769828356 SENCVYRRJNTNOX-UHFFFAOYSA-N 431.426 0.425 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2ccnn2C)c1=O 771641414 LIEAMSXDYBNRFS-UHFFFAOYSA-N 432.461 0.434 30 20 ICED CCc1ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 776138867 LLLBKXGJMLWGRP-UHFFFAOYSA-N 443.547 0.879 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 788768592 GGXRBOLGPUZCEQ-UHFFFAOYSA-N 436.518 0.943 30 20 ICED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)n1 790109773 FTHNXUZLSBILMJ-UHFFFAOYSA-N 437.547 0.541 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 792785509 SCBNFILKFQHGIK-KRWDZBQOSA-N 435.506 0.268 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2c(F)cccc2Br)c1=O 794610062 WWWGSWOHTMGJPG-UHFFFAOYSA-N 435.278 0.926 30 20 ICED C#CCC[C@@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 799073557 MHRNQMATMKHMGO-QGZVFWFLSA-N 439.509 0.329 30 20 ICED Cn1c(S)nnc1Cc1csc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 810056410 PPHJIUJWZJSNHW-UHFFFAOYSA-N 449.543 0.940 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cn(C)nc3C(F)F)c2=O)cn1 812277414 UYDCLLVLQYOAEI-UHFFFAOYSA-N 433.444 0.036 30 20 ICED C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 815082651 CJCCBHMUJQJXHN-UHFFFAOYSA-N 425.479 0.893 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)C1=O 815632884 AUEJOLAVWXHOST-MRXNPFEDSA-N 444.492 0.154 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)ccc1F 914657721 UIKBYJFSGCWQCP-ZDUSSCGKSA-N 441.481 0.526 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 916774328 JVFPVNLYJATSDQ-HXUWFJFHSA-N 442.453 0.839 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 917035577 QQSQLIJUGNBKKQ-KRWDZBQOSA-N 441.465 0.907 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779929 QADQWKFMIQUDBH-UHFFFAOYSA-N 449.536 0.950 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCNC2=O)cc1 1301466322 MKCMCTMWMVRQRT-UHFFFAOYSA-N 427.486 0.961 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1303405611 WVDQIIMFWLMCPA-HOCLYGCPSA-N 435.554 0.028 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCN1C1CC1 1510218934 LUAZHMQWJHKVCM-BHYGNILZSA-N 437.570 0.634 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCN1C1CC1 1510218935 LUAZHMQWJHKVCM-UAGQMJEPSA-N 437.570 0.634 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS2)C1 1519563060 KDIDQURLYODBKH-ILXRZTDVSA-N 442.567 0.235 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2=O)cc1Cl 1624440615 MAWIADMARPPODN-HNNXBMFYSA-N 429.908 0.987 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(CC#N)C1 1643613056 WZNYLIVPTBUFKP-CRAIPNDOSA-N 427.910 0.750 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1680014098 NQVGINVDBFYTPS-UHFFFAOYSA-N 431.522 0.687 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1751278406 VFQOJINHBQJEHP-ZRGWGRIASA-N 435.554 0.783 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)CCC1 1778381004 CBPMPBNYEQGLIO-OAQYLSRUSA-N 426.477 0.154 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1779063619 YSNVNNHALYPLCM-OAQYLSRUSA-N 430.461 0.030 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779337145 JEOLPBRNSHESAZ-GSHUGGBRSA-N 432.521 0.942 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963697 LXZYWKVVCWJYNN-QKKBWIMNSA-N 431.468 0.848 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2 1782009579 PSQNWOHSRDANNA-YCRNBWNJSA-N 439.468 0.782 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)/C=N/O[C@H]5CCCCO5)CCO4)C3)(C1)C2 1783442949 CICYMPDPXGWONY-GPEPTXMASA-N 449.504 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1785101778 KUUZEUDVLFHDFV-UFTUAFODSA-N 440.500 0.947 30 20 ICED C=CC[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 1791072644 PMPZODWNJIAHMZ-QAETUUGQSA-N 449.504 0.524 30 20 ICED CC(C)COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccn1 1791075634 HUJOTQOKSZBYQU-BZSNNMDCSA-N 429.473 0.798 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794091319 BKJIUEHEZLJVDS-XJZLKLOZSA-N 436.534 0.067 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@@H]1SC(=N)NC1=O 1796423812 WKZAVXCELQWYAB-HSAPRAMBSA-N 440.525 0.430 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)[C@@H]1SC(=N)NC1=O 1796426108 JGPVJFVITBFWGO-WZYMBKROSA-N 441.513 0.564 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1797711674 HUQTYNIFTABZJW-FSDCSDTHSA-N 433.505 0.875 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n(C)n1 1797780570 CHCYCXOIWVKBGT-CWPLJXCYSA-N 430.505 0.331 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598931 MXWXSGIGVBXIOZ-HGKCTWBKSA-N 439.472 0.685 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3CCCC3=O)C4)c2c1 1799883493 PRWNBGQCWMVBDM-YVWYUNDQSA-N 436.472 0.260 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2 1800778968 XDVVFZVIDKTQKJ-IVWMJMPLSA-N 436.262 0.064 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354410 DRZYLTSZFXUBBL-FYVVFRBKSA-N 443.460 0.253 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804088473 REMBKUMWMGAZDO-UTKZUKDTSA-N 443.504 0.622 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807049476 YTJXAKNGYXUDRG-FUHIMQAGSA-N 445.520 0.190 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)CC#N)[C@@H]2c2cccnc2)CC1 1809492266 NVLROQZLUFRFOG-IEBWSBKVSA-N 433.534 0.673 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810278005 BRWDDIOWHWIZAC-QLEVFDGYSA-N 449.577 0.994 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1)C(F)(F)F 1810362343 XMSKOMMKWYAUMQ-GPMSIDNRSA-N 442.438 0.857 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819706876 RIEDKBJWHIEPNC-DOMZBBRYSA-N 446.529 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](COC)NC(C)=O)CC1 1823748694 YMPSQROYLQBQKQ-PXNYIJGASA-N 448.564 0.616 30 20 ICED COC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825665410 LEFDIAMNWSGAAG-NSHDSACASA-N 428.426 0.639 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)cc1 1829877487 VVEGHYVIUYPSLE-QHCPKHFHSA-N 426.517 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831396019 GYZYOMJMGPWNCF-IQFRNVLWSA-N 437.493 0.010 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833427271 QQVKWJWZJBREGV-KUHUBIRLSA-N 445.589 0.774 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833472933 DIJIUVZEZMJVGN-MRXNPFEDSA-N 433.553 0.757 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833488862 OBNXVVRIRADILI-SFHVURJKSA-N 439.582 0.064 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1833824687 PSYFJLKNIWEPLR-LWOHLBADSA-N 443.460 0.394 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299390 GXRFLVBAWYHBKZ-OFNKIYASSA-N 446.500 0.686 30 20 ICED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)c1ccccc1 1835338917 YVNJZODXSHMJQY-HSZRJFAPSA-N 440.500 0.519 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1835644905 GVAVKWVZVQOIDB-IBGZPJMESA-N 446.508 0.136 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2)C(F)(F)F 1836506185 SAOBIXSVSWOYNZ-QFBILLFUSA-N 442.438 0.526 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1836859226 VCHCDGYFWKVRCU-OAHLLOKOSA-N 432.525 0.356 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1837403782 QQRBKTAXRCEKLP-JPYJTQIMSA-N 446.548 0.552 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526887 HCOHRIWOFBHDNK-UAOQYHQXSA-N 427.498 0.133 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837599790 XLKHZPVNIIBFSN-KHLKKOTKSA-N 441.525 0.785 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838117090 MQHLOKQNKFMYNP-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(F)c(C#N)c4)C3)C2)CCCN1 1839123132 XVONVPJZSFBDHL-DHIUTWEWSA-N 444.507 0.838 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CCCN1 1839362847 SJIGPSCRAOUCHC-PKTZIBPZSA-N 426.517 0.965 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424427 IOYACDSCBKLQNZ-XOBRGWDASA-N 434.880 0.416 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)c2c1 1839486298 RYKLXDAQMGYGOY-HSZRJFAPSA-N 433.468 0.918 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839806262 HUJMYVYYUBBXIT-GSHUGGBRSA-N 435.521 0.769 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3CCCC4)C2)C1 1840045222 YCLANBAFVGLBOV-HSZRJFAPSA-N 426.469 0.723 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1840170261 ULRPZNYMWVSSDK-DYESRHJHSA-N 439.509 0.089 30 20 ICED CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623365 HKNIWIKXCVQUCY-OAHLLOKOSA-N 435.525 0.865 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1847080897 PJBKVPIBQNADMQ-ZCCHDVMBSA-N 432.521 0.938 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 105947433 UVDNPEGMFXRBDO-OKILXGFUSA-N 427.552 0.530 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 106044139 ZWYRZWLDSKRGLW-IRXDYDNUSA-N 435.550 0.858 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 409488115 XHCFIXSKXUAMRX-UHFFFAOYSA-N 428.559 0.982 30 20 ICED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409596670 LJWXFSUPMXCDKU-DLBZAZTESA-N 442.925 0.641 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 430379102 NSPBZSSLJUDQJU-QAPCUYQASA-N 439.509 0.756 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc(OC)c1 442005662 VFVAJCGKHULBHN-UHFFFAOYSA-N 428.449 1.388 30 20 ICED COC[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)NS(=O)(=O)c1cccc(C#N)c1 445739062 DIZIHLAYANDFED-MRXNPFEDSA-N 434.499 0.702 30 20 ICED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446523188 SJXWKKHSGUGHFC-IBGZPJMESA-N 427.482 0.428 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 465180514 ACMQFTPXXJZAFV-AWEZNQCLSA-N 445.505 0.048 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 465482261 GRVMWLANKCCHSZ-LBPRGKRZSA-N 426.458 0.473 30 20 ICED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 473192126 OFEFORRUTXKCGK-HIFRSBDPSA-N 429.433 0.063 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 478740599 UNEZAYXXCUGUNT-OLZOCXBDSA-N 436.515 0.750 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCOC1 478857245 OQUAPSDBSNUQEN-OAHLLOKOSA-N 427.530 0.529 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)ccc1F 480895837 LVCVHTXRSKKASK-UHFFFAOYSA-N 437.497 0.901 30 20 ICED CCn1cc([C@H]2C[S@@](=O)CCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 488190104 ZIYHGTGTOVMSKZ-OKXSDPAFSA-N 445.549 0.525 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 489035715 FYIULKUAEIKBHS-AWEZNQCLSA-N 435.461 0.700 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 489501883 XPLIOMNJZBPION-UHFFFAOYSA-N 434.478 0.529 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 491041073 WWMOACQOZBMWJY-UHFFFAOYSA-N 429.521 0.600 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc(-c2nccn2C)cs1 491583306 IDMSONVKVBJWIE-LBPRGKRZSA-N 437.489 0.881 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCOC)CC2)cc1 502690347 BEUWEGIMTVOFQK-UHFFFAOYSA-N 430.505 0.932 30 20 ICED CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 506932025 JCKGEXLUADFWLY-UHFFFAOYSA-N 448.480 0.609 30 20 ICED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O 527279823 BUAULPQEDQZBSX-UHFFFAOYSA-N 441.538 0.928 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 531437740 OHXYLEYBYQWRMC-UHFFFAOYSA-N 445.541 0.911 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 532898858 CRNMAHSSAUMMER-GOSISDBHSA-N 429.458 0.999 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)c1 550776992 ZGWNIQZMDCVQGJ-OAQYLSRUSA-N 448.527 0.792 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 554523224 MWXAOBCMKZMLGD-UHFFFAOYSA-N 445.541 0.911 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 555872547 LZLLGWDVTCNDMG-UHFFFAOYSA-N 439.457 0.301 30 20 ICED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 558040414 JOOLMFBYRXPYIL-SJLPKXTDSA-N 431.512 0.961 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 571331363 SZGVEOHUCRAOMM-UONOGXRCSA-N 431.526 0.451 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 573590450 QUQQJLDXWNOBJG-INIZCTEOSA-N 441.602 0.455 30 20 ICED COc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 574591241 JGRLKUHETDCFAC-OAHLLOKOSA-N 438.506 0.852 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 578675221 WTZLINJMSXYAKZ-KRWDZBQOSA-N 433.940 0.481 30 20 ICED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCCOC2)O1 587659736 XVHCSCICMVTYDS-OPAMFIHVSA-N 427.505 0.835 30 20 ICED Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590418982 ADHSSIROEGDEQX-UHFFFAOYSA-N 449.514 0.207 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603668476 PAKBFTBBKMNKGM-UHFFFAOYSA-N 447.561 0.191 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609121768 ILDDAZNLSGGNJD-QGZVFWFLSA-N 443.485 0.802 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1F 619695518 CSXSQPQOOMSURU-UHFFFAOYSA-N 429.473 0.754 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726000210 NAUTYWQVARBPTC-WOJBJXKFSA-N 438.484 0.950 30 20 ICED C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 726622856 WEUFLCJHLVOKML-GFCCVEGCSA-N 436.515 0.640 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 728534225 GVPRKBJNXMFFRC-IBGZPJMESA-N 432.546 0.042 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755546726 NCTAZLDOVSXQJJ-CJNGLKHVSA-N 440.464 0.785 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 758049612 IXDSGEVOPWTYTC-UHFFFAOYSA-N 445.447 0.935 30 20 ICED Cc1nc(/C=C\c2cn(CC(=O)O)nn2)sc1C(=O)/C=C/c1cn(CC(=O)O)nn1 759075500 HOWOWQROXJJDAB-HZDAAVBUSA-N 429.418 0.870 30 20 ICED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775533032 LMHVCBYQELEULA-IGCAKMCNSA-N 426.495 0.935 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 781602881 LWBRNIPEGFBJFV-UHFFFAOYSA-N 432.345 0.707 30 20 ICED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)n1 782140300 ZTEFNWPQQZYVCI-CQSZACIVSA-N 428.449 0.790 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCn2cc(C(=O)OC)nn2)C1=O 790017050 XQXUMGMSOPLMJJ-RHNCAKJLSA-N 445.505 0.139 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794580391 CYEWMMBHMXBTGY-HNNXBMFYSA-N 430.530 0.405 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)CCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 797270913 XPBVVDYSUAMAMP-SECBINFHSA-N 427.426 0.902 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 807653333 BKPWSYZBXWWMBU-PXNSSMCTSA-N 437.500 0.802 30 20 ICED O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H]1CCCN(O)C1=O 816759286 JSSAIIYNRDVSSK-ICSRJNTNSA-N 436.468 0.996 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 817227519 IIPBUANUTZBIMX-DOXZYTNZSA-N 445.497 0.834 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)c1ccc2c(c1)NC(=O)CO2 854381309 JNTIGRWKBNGIEL-GFCCVEGCSA-N 443.437 0.982 30 20 ICED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 856693744 JVYPKCDBJYEKAV-HIFRSBDPSA-N 436.490 0.148 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOC 916198742 VBGUEYYHQQVXHT-UHFFFAOYSA-N 446.485 0.120 30 20 ICED C=C(Br)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 921043685 QHDDCZATICFNCY-ZDUSSCGKSA-N 439.353 0.793 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC1(O)CCOCC1 1288808236 WHUFIPSQMXFELT-CQSZACIVSA-N 426.543 0.560 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(F)c2F)N(CCN2CCNC(=O)C2)C1=O 1337486414 HFKRPLCWELPBSL-CYBMUJFWSA-N 425.461 0.464 30 20 ICED C=C(Cl)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359157486 KSBIIAMBFHVVOK-LJQANCHMSA-N 426.949 0.893 30 20 ICED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 1561563085 XIDKZPKWMXGWDF-UHFFFAOYSA-N 427.504 0.595 30 20 ICED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1624363926 RDCNXDPMSKTOQC-KRWDZBQOSA-N 445.863 0.532 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1=O 1698088449 RPNDUKCFRBXUKH-JOCHJYFZSA-N 442.520 0.899 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1722863817 MSVPWLSURQYJIW-HUUCEWRRSA-N 425.559 0.349 30 20 ICED N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1731184895 KSDXBNLDZMPKHG-UHFFFAOYSA-N 438.492 0.914 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1748053099 ODYBFWGOAGAFBM-XLIONFOSSA-N 430.534 0.507 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1760374986 ZXMZGBSVRFLNNG-WMLDXEAASA-N 431.946 0.980 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1770748849 SGRUTBIPOWATBA-TZMCWYRMSA-N 427.431 0.637 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)ccc21 1777864826 TZPRCGHLIICRNL-JOCHJYFZSA-N 425.489 0.870 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778009206 SDMHYXMAWUCEEG-LFSDFAJISA-N 443.447 0.469 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2Cc3ccccc3CN2)C1 1778036518 MIOXCRYTPKMDER-DNVFCKCGSA-N 425.485 0.303 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779021736 UPCUIZFZMWIENO-XOWGOQOESA-N 430.509 0.581 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779101947 VJZZIFUANQGBJI-UAOQYHQXSA-N 434.449 0.058 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1779268625 ALIHBLUECAKRCW-BYWUWDSWSA-N 446.504 0.768 30 20 ICED CN(C)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1779760181 FGBDUFSBNVJPCE-JOCHJYFZSA-N 428.537 0.873 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO3)c1 1780174380 UGJKZLKHIAYBAQ-QRQCRPRQSA-N 428.489 0.877 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)c1Cl 1780190041 GVWGTONRGYPXRO-CTNGQTDRSA-N 448.907 0.306 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)CC1 1781169888 CJNNPPMJVMNNBQ-OAQYLSRUSA-N 435.525 0.316 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1)C(F)(F)F 1781862312 ZKHLVTSSQMYXJK-SJKOYZFVSA-N 437.415 0.778 30 20 ICED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781902860 PQKKHRUWSGJONW-LJQANCHMSA-N 449.305 0.852 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CCN1 1782269360 HPKOWWQTCBKFEX-YCRNBWNJSA-N 445.560 0.725 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1783164297 MPHQLSGINBXSBN-TUVUNVSASA-N 442.516 0.920 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)c1 1783626265 UMUUEBAERPHPME-ANULTFPQSA-N 438.528 0.997 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)C1 1783888402 JDIDFKLYDGVWII-IVZQSRNASA-N 447.557 0.915 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccc(O)cc1 1784012215 ZRVMVDWKOWXSGU-HFJQGTKSSA-N 427.501 0.854 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331635 BATGYRDJJGFGNP-JMUUTAKRSA-N 436.534 0.291 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678888 VHKKANFXPMNMIY-ZDMHMLHDSA-N 433.509 0.386 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1789934690 IQMYSIGBUWSQNG-QAETUUGQSA-N 438.525 0.546 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)cc1 1792559158 OUFTXIVIOLDLPC-JLVBRIDZSA-N 438.406 0.369 30 20 ICED C#CCO[C@H](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 1793344658 RIEUAJJRIVFWPM-ZJPYXAASSA-N 449.548 0.871 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1793533656 IRNZOQYUQKEVDA-FJIDUMEYSA-N 439.578 0.651 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)c(O)n1 1795357767 HBJMMGDZFMPFIM-ZSBFGKGUSA-N 437.518 0.154 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc(C(F)(F)F)c1 1795538829 MFOYHIOEYNTACP-YWVIFJGQSA-N 438.410 0.263 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797814897 BYLVLHLQHRBFSD-MDUKNCKQSA-N 445.520 0.880 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(=O)Nc1ccccc1)C2 1800774233 DVJGDKQTYNTFPZ-MFKICJERSA-N 427.457 0.473 30 20 ICED C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]n2)C3)N(C(=O)OC(C)(C)C)C1 1801103993 TXTCEODSHJUCOI-FZKCQIBNSA-N 446.508 0.574 30 20 ICED 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[nH]cnc1C)C2 1802126353 HCDIOFKIWIAXNI-DFGXFYAUSA-N 445.520 0.838 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1802497409 HLEKBZBFIORABC-IEEDLPBZSA-N 439.516 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cnnn2)[C@@H]1c1cccnc1 1802500261 YKVVCYSWCNHGJX-PWCCKZLBSA-N 438.492 0.194 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@@H]1c1cccnc1 1803582366 WLGPVQWITXAXGD-RWQQGDIJSA-N 435.546 0.806 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1803733863 CYGYDQHJTJTGGD-GLPQSPQZSA-N 436.472 0.755 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807190336 IZAFTAMDYQJULD-RDMYJYMGSA-N 440.504 0.392 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCNC(=S)NC)[C@H]1c1cccnc1 1810306081 OTUXYTHLVHNGFO-SZVBFZGTSA-N 431.562 0.610 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)CCC1 1814049761 HPKQFGYNSLNEEB-RDJZCZTQSA-N 435.421 0.506 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1819898021 GJRWZAOJQDLLGU-PHAQFDFPSA-N 434.482 0.271 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819956210 FQSNFSYXXIVQRA-PITUFAOZSA-N 441.469 0.692 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751774 YRRGLYKBIKPLSX-ZRRKXYOMSA-N 434.497 0.654 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1823078211 HMWIFIBZWJFXCV-JFGNBEQYSA-N 436.494 0.454 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1826893030 VXHWZJAKOJTWTH-ROUUACIJSA-N 434.585 0.481 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)c1 1829901941 FZGNRYGQZCYNTB-HSZRJFAPSA-N 437.500 0.762 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830303810 LAANAPMZBWYZBP-NJSLBKSFSA-N 431.555 0.674 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830756998 OHDYDKPKZWTLPV-HHPVHHTKSA-N 435.569 0.399 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1831395889 AYCVJCKXYGDELZ-VGSWGCGISA-N 426.473 0.443 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831638788 GZPQHJYJGLPKLF-HTAPYJJXSA-N 431.489 0.676 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832463122 OQBYYNIQMXGSJO-RCZVLFRGSA-N 437.540 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3OC)CCO2)C1 1832999475 QKNWALJWEDBTGL-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833443532 PPJRPIWJVIHCSU-KKSFZXQISA-N 436.509 0.072 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1 1833465931 WPIIDHLDHZTBAP-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1833470802 NARTWHVSVIPPRK-IBGZPJMESA-N 437.585 0.988 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834239525 BKNCDKUAEKSTRI-JOCHJYFZSA-N 439.472 0.441 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835706737 QAYFCPWGTCBHMU-BLIXFSHQSA-N 433.509 0.339 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1835712781 CPGRVZBYIDFNKZ-QGZVFWFLSA-N 429.583 0.176 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837444246 USGGXRBKFFPASB-SGCYSOCQSA-N 445.520 0.632 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837488654 NKEAJZXDRXTGIT-HSZRJFAPSA-N 442.516 0.174 30 20 ICED Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838204228 IKFDQAXUDBKEFA-DUGKDEJRSA-N 436.465 0.582 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C2)C1 1839810461 YFIKTFZBSRJHGM-NRFANRHFSA-N 434.514 0.112 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840164122 YJAIPGWHNNAZEN-XCLFUZPHSA-N 429.502 0.823 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1840168534 SRTOJLYTVNVMBJ-JOCHJYFZSA-N 425.489 0.911 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279776 AYLDSDOTELLENO-UWJYYQICSA-N 426.510 0.270 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819408 IWAHRTWGCMWHIK-QFIPXVFZSA-N 439.472 0.739 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1841603264 JBALDGVPUCENEL-JLHGSKIFSA-N 449.548 0.989 30 20 ICED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827988 RWPIAJDLOZBJSY-UHFFFAOYSA-N 437.268 0.224 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 18963071 YAPGLQMIPHBOPW-UHFFFAOYSA-N 437.518 0.925 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1=O 25521875 QYIOJKKWFZIYQO-UHFFFAOYSA-N 441.488 0.664 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 409474870 BSNPFGMYQNMELX-KRWDZBQOSA-N 429.521 0.600 30 20 ICED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C)c1=O 429802537 OGDQAXOZKANBCJ-CQSZACIVSA-N 436.493 0.750 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c1 439361652 SWSNEVNNXIYWTF-UHFFFAOYSA-N 449.876 0.813 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 439815689 FLLPCIYLDWYSEN-MRXNPFEDSA-N 445.487 1.330 30 20 ICED CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 441567309 PHGBTJCOIYDBPK-MOPGFXCFSA-N 429.569 1.531 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441957808 UUMTWDOBGAEBTA-CQSZACIVSA-N 426.498 0.830 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 443855263 PTLQGWJLMBBNFF-DYTBSURPSA-N 447.513 0.983 30 20 ICED Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 444404142 QTSNHJKQFWNORG-INIZCTEOSA-N 427.534 0.734 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 461319986 GMQMNWRAKWVYIW-UHFFFAOYSA-N 430.428 0.954 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccccc1F 465264118 NYKWJNCZCNERKJ-CQSZACIVSA-N 432.481 0.893 30 20 ICED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 476044816 BQCSXVHIENHDBL-ZDUSSCGKSA-N 435.506 0.506 30 20 ICED N#Cc1c(CCCNC(=O)c2ccc(S(N)(=O)=O)nc2)nn(-c2ccc(F)cc2)c1N 479323465 XLRXIVCIOPSMLS-UHFFFAOYSA-N 443.464 0.870 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3sccc3OC)c2=O)cn1 480947828 GCHRTQMYKSRVMT-UHFFFAOYSA-N 441.538 0.967 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 482504266 GBQRVRGACPLNOE-HXPMCKFVSA-N 433.490 0.062 30 20 ICED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482839864 VCPNSKSSLVTHFL-SJORKVTESA-N 447.561 0.380 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(C#N)c(Br)c1)C2 487946675 CIVXAIZEAFGPIZ-UHFFFAOYSA-N 448.281 0.815 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488607899 GOWPZVCSVPDHLP-SFHVURJKSA-N 440.481 0.818 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1=O 498863243 DVOLGBXRXLRUDY-RDJZCZTQSA-N 434.880 0.805 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccnn2C)c1=O 502039181 GZPKNLPKNDBCDC-UHFFFAOYSA-N 428.562 0.111 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2O1 516092316 UYYHNBTUBSCILD-SFHVURJKSA-N 435.440 0.569 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 516811201 IOVSKYNFMMFRAP-QGZVFWFLSA-N 437.544 0.896 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 517264888 BEQCKQFQOHDEKU-AWEZNQCLSA-N 433.442 0.121 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CS(C)(=O)=O)c3ccccc3)CC2)o1 537177773 VHDNZCITSWJDKR-GOSISDBHSA-N 431.518 0.879 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)n2)c(Cl)c1 541154957 XKIPAXVDYGILPI-UHFFFAOYSA-N 430.852 0.734 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2)nn1 544821860 AFACAKHKXOGWNS-CQSZACIVSA-N 432.462 0.030 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 557431774 WLRJCLMRWKDETF-FQEVSTJZSA-N 427.549 0.071 30 20 ICED CN(C)S(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 565141715 FEZRSMBOYUIUQE-UHFFFAOYSA-N 436.515 0.403 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 565681817 BZTKMNUHQJQBOZ-GOSISDBHSA-N 436.520 0.429 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 569526280 ZHFUAIOKCZYKSG-NSHDSACASA-N 433.456 0.786 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)c1C#N 569862355 GLNVEWTUBASXIN-CQSZACIVSA-N 429.506 0.844 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 576843223 TUXCACRQVQUKRH-KRWDZBQOSA-N 443.548 0.278 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 579987237 RXYPJDIQTQORON-TZIWHRDSSA-N 428.533 0.717 30 20 ICED Cc1c(C(=O)N(CCC#N)CCN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 580858227 MYNSEHNGKDNNLM-UHFFFAOYSA-N 425.467 0.239 30 20 ICED COc1ccc(-c2n[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2)cc1 589392111 QYOHDZSVCMAGJY-UHFFFAOYSA-N 426.458 0.947 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCO3)c1=O 603986115 NADYPGZSVZHPQY-UHFFFAOYSA-N 427.482 0.480 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC 604118915 WLNHJLQDEUFBCV-UHFFFAOYSA-N 433.555 0.753 30 20 ICED CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 609282735 KFMFQDGJOBRFSC-OAHLLOKOSA-N 449.533 0.617 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 611596527 VINODYHFISLCQO-LBPRGKRZSA-N 434.453 0.362 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182013 ITQKEMKVYFKXGP-UHFFFAOYSA-N 436.541 0.556 30 20 ICED CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 730725259 RLCXQEPVQRLGIE-HOEZRSETSA-N 448.530 0.973 30 20 ICED CN(CCn1cccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732486684 PGLLIWONPQPJAM-OQKWZONESA-N 432.506 0.793 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(CC)c3)c(=O)n2C2CC2)CC1 732563460 ZOMVGVCMPNWKPO-UHFFFAOYSA-N 426.546 0.128 30 20 ICED COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 739905961 ZOYQSRRMAAKONG-QGZVFWFLSA-N 432.458 0.471 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 745356091 FCEKGKYDWCSZCJ-AAEUAGOBSA-N 439.519 0.888 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745388481 VSLJPQVUSOGLPT-YCRPNKLZSA-N 428.445 0.514 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NS(=O)(=O)N1CCOCC1 750729219 CUYKOJQRDZXOEH-UHFFFAOYSA-N 448.295 0.791 30 20 ICED CS(=O)(=O)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 753747722 IMESJOMZNXPRCX-UHFFFAOYSA-N 439.559 0.995 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OCC)cc2)c1=O 758055303 NUENZJGKFKRIGZ-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758084598 SGAXYCIQDXSODQ-UHFFFAOYSA-N 445.884 0.191 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758760715 PFSQPJNOZHONBQ-IRXDYDNUSA-N 436.557 0.941 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 774292737 VFNZFTDSGWIPIE-PMERELPUSA-N 446.451 0.699 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 782267679 SGFOFDPJUMLQPK-UHFFFAOYSA-N 436.837 0.767 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 783349447 ILAJSNYVUSSOCU-GOSISDBHSA-N 435.502 0.761 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 783478481 CXOKFHXIYPRLED-ZDUSSCGKSA-N 442.877 0.479 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 785006797 TXVXFAOUYXLDPY-KWUYDORLSA-N 449.533 0.598 30 20 ICED COC(=O)[C@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(C#N)c1 789120825 XNUUDQDSPCHRQI-FOIQADDNSA-N 429.429 0.931 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)n1 789788725 OMISFTOZIRVDLI-UHFFFAOYSA-N 441.488 0.840 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCn2cc(C(=O)OC)nn2)C1=O 790012113 RPQYKDMVBPELFL-HNNXBMFYSA-N 446.489 0.841 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 794583138 WSVHIJZFSMBOAL-KRWDZBQOSA-N 440.521 0.990 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3cnccc3C#N)CC2)C1=O 795042483 MNGJGZMJVMBNGI-HSZRJFAPSA-N 447.499 0.964 30 20 ICED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 795832255 COPKOMJYIDBQSR-QGZVFWFLSA-N 437.334 0.981 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 799267413 KRBWAGMKIQXVQG-GOSISDBHSA-N 427.505 0.572 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCO[C@@H](C)C1 807368344 FGTYRTXREWNNFO-HOCLYGCPSA-N 437.518 0.930 30 20 ICED CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 913151376 FUJUESBBBFTNNV-UHFFFAOYSA-N 448.508 0.373 30 20 ICED CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 914684751 VLMPFOXHLUUCQV-UHFFFAOYSA-N 447.473 0.268 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2)cc1 1467808381 UQNUNBVDNIVEOA-RBUKOAKNSA-N 432.546 0.626 30 20 ICED CCOC(=O)N1CCC(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1473034695 QUTDABGBBUHRTB-UHFFFAOYSA-N 431.493 0.289 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCN1C1CC1 1510218937 LUAZHMQWJHKVCM-XIRDDKMYSA-N 437.570 0.634 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)Cc1cnn(C)c1 1557093417 LNIXEFBHLIOCLK-RDJZCZTQSA-N 433.534 0.593 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCO1 1669239699 RFFHPOQEHAIVOO-FQEVSTJZSA-N 449.577 0.417 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1712711324 JKQUJOBKYPTLJV-IRXDYDNUSA-N 443.533 0.613 30 20 ICED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)n1 1724511543 ABUFMCOILIQHRN-INIZCTEOSA-N 430.538 0.374 30 20 ICED COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1730726469 NYIDNDAHZAMNPY-LJQANCHMSA-N 438.536 0.999 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1762440611 PQDWFABEGCSOIG-HXUWFJFHSA-N 430.488 0.864 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777953366 OTKYTSKVUQAEIE-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1778978696 ITLCWZHGPONRPL-HTAPYJJXSA-N 427.505 0.675 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cccc1=O 1782194338 HPXUVXPEYZNRRK-QHCPKHFHSA-N 446.467 0.891 30 20 ICED CN(C)[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1782826586 LRZUGJKQPBXFQI-FPOVZHCZSA-N 433.892 0.861 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782958265 AKZGFJJCWKSCLR-WIYYLYMNSA-N 431.514 0.773 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 1783529110 CMXVDVYPJOWAAK-VKKXURQZSA-N 434.581 0.945 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785724835 QYQZMWMFLGKJRX-MRHSLFKSSA-N 434.562 0.830 30 20 ICED Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1785851988 JSPQROSDLOWMKT-QRTARXTBSA-N 434.460 0.470 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@H]32)c1 1789258775 DAFUPCFEGUETST-KNTRFNDTSA-N 440.500 0.781 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790748082 SDNQXHMULBARAQ-MQXWVYJVSA-N 440.566 0.015 30 20 ICED 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)C3)C[C@@H]21 1792258129 SMYGZQLYNYMZPZ-XEZGLNCPSA-N 449.548 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(n1)OCCO3)C2 1792564283 SOLPIGLDVJCVGU-FYVVFRBKSA-N 426.473 0.963 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(C)C 1792616684 CANKLXXXHJGOIY-ZMMAXQRCSA-N 437.537 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1793349781 IUIAETUCYYSHSR-RDPOXOKHSA-N 427.501 0.434 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793379927 CGPJTQUXKNSFRE-LMLFDSFASA-N 430.420 0.886 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n(C)n1 1794345549 FHYDWWSLOAWRLS-HBCWATKFSA-N 449.471 0.694 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(NC(C)=O)n1)C2 1797707477 OARGTTFJPBTKNT-LORHWOILSA-N 430.505 0.816 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838629 HRIKECIEXISZJH-BWYOWLONSA-N 431.518 0.315 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798492646 LYRDOMKLGZJAIF-XERFUDQDSA-N 429.539 0.834 30 20 ICED CN1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1799884759 UIMPNGNEKGLCCC-PDOICOKGSA-N 436.516 0.980 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2)N1CCN(C)CC1 1799967291 BDUFHXSAEAEMNT-QBQOZBNRSA-N 435.569 0.790 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1800188906 MEFPOHGOLTZJAW-IZZQQSIFSA-N 429.546 0.554 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)nn3c1)C2 1801988678 HDLNAETWCOJEPV-CLLJXQQHSA-N 446.261 0.832 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1803545520 SGLZDPFXEFPZCT-OXFYSEKESA-N 425.489 0.734 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1812668377 JLAIHMASHZPXAB-YOEHRIQHSA-N 435.431 0.851 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812712088 JBLBSQJTCPLZPT-REWPJTCUSA-N 448.564 0.357 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819848088 DWGZUXPJOHLURD-DZKIICNBSA-N 432.546 0.477 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC)NC(N)=O)CC1 1827557576 GMRJKQPEJAKCPB-MHEJJFAZSA-N 433.553 0.911 30 20 ICED N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCN2C(=O)OCc1ccccc1 1829040877 MNVBIRRZIRMQIW-WMZHIEFXSA-N 437.500 0.880 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCN2C(=O)OCc1ccccc1 1829233036 CZHKANWBYKICNU-QFIPXVFZSA-N 436.472 0.363 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccco3)C2)C1 1829773438 JOCVNQFDNNRMFS-KGPYNAKISA-N 445.516 0.773 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)cc1 1829907194 ACFSZYUYNKRIOR-XMMPIXPASA-N 449.511 0.980 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831215893 AYUPLIYMHKENBI-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1831418726 FTAIWVRKZNNQHY-WYADAEROSA-N 438.521 0.623 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1831435739 XWFDCDQTTGJESI-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831490927 PHTNDHSUCHECMB-KUHUBIRLSA-N 434.522 0.149 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831499262 SSKKMLGIIVVQMM-RHSMWYFYSA-N 429.568 0.308 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1831951278 KQOHEGRZZFHOAU-YVABFXQFSA-N 442.472 0.872 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832590263 ATQUSLBPEBDSSY-YWZLYKJASA-N 439.603 0.881 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)c1 1833162389 YESLLKZJMRMVBV-XMMPIXPASA-N 449.511 0.980 30 20 ICED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833235273 ZFDHYNHHRDFFFK-HXUWFJFHSA-N 428.424 0.210 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3C)CC2)CC1 1833463166 AIYQNKCEQYZSFZ-KRWDZBQOSA-N 428.533 0.609 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835271265 CPVZWMFGVYMTSO-JOCHJYFZSA-N 441.488 0.666 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)ccn1 1835358933 NMVLQCLRYQEIAA-NRFANRHFSA-N 430.461 0.632 30 20 ICED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767754 PXSQZSLWMAELKK-QTCOBDOFSA-N 437.541 0.175 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835846545 KXPYORFWKSKOLL-LJQANCHMSA-N 438.506 0.305 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1836859652 VHQUAISZSBGEHF-AWEZNQCLSA-N 432.477 0.538 30 20 ICED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836861697 GJOJJJCLOIIAAU-LJQANCHMSA-N 438.569 0.561 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837305123 PYFFGBVOKPSSLG-QVKFZJNVSA-N 432.477 0.726 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837532216 AMZPDPKFXBFFIZ-TYNDFWIWSA-N 439.843 0.803 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567470 MIPSATCCDKQEID-YIUBHWLZSA-N 427.461 0.591 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1 1838640939 FSMYDVCYDCHGLL-OAQYLSRUSA-N 441.419 0.164 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(C)=O)C3)C2)c(C#N)c1 1839131927 IOOGFXCXSHYZLV-HSZRJFAPSA-N 443.500 0.935 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1839225781 UBHUGHDGQOUDMO-KKSFZXQISA-N 444.492 0.600 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839880544 TWUKVWUGASQPLH-ZHRRBRCNSA-N 428.489 0.347 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840482870 DYLFKVRCIHKPKE-DHNIJCFSSA-N 445.520 0.136 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818587 KPRGTBLTTVPXRA-FDDCHVKYSA-N 441.484 0.432 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C[C@H]2C[C@H]21 1840912656 JEWKAFCLYKXNNA-FSNCLGKMSA-N 448.520 0.754 30 20 ICED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2)c1ccccc1 1844337151 HLMXSCVYSVMAAI-OAQYLSRUSA-N 427.545 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOC)C1 1846249124 CYVAECJTRXYYER-UHFFFAOYSA-N 426.510 0.769 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 428380301 YOWOTIXBSMKWIH-UHFFFAOYSA-N 427.430 0.093 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 440613595 FDIDVGPAENLGBA-NHCUHLMSSA-N 445.589 0.200 30 20 ICED N#Cc1ccc(NCC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nc1 447735814 HIDZOPCAKFPEFK-SFHVURJKSA-N 425.464 1.338 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 460546426 CNQDVOODBICZJI-UHFFFAOYSA-N 433.538 0.898 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 461068167 YYTQOHUPBDLWNS-APWZRJJASA-N 444.561 0.940 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 469066096 VKKNJTPLEVZVML-UHFFFAOYSA-N 438.506 0.539 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 472091970 DUJJWDSNERNUQQ-NRFANRHFSA-N 436.560 0.937 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccsc1 479390546 YNOWGMKXIMLYFZ-UHFFFAOYSA-N 445.522 0.966 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488253392 VMJRPKJAXRVLIP-QZTJIDSGSA-N 433.534 0.772 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)CC2)o1 494643920 WJMWTTZWGWUAJK-HNNXBMFYSA-N 440.468 0.658 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 503280971 CCFDHIGMROIRBT-UHFFFAOYSA-N 427.505 0.308 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 508032124 IZCPOKONZAIMQI-NRFANRHFSA-N 433.512 0.941 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 509402795 SMEAFCAKPSKKPK-AWEZNQCLSA-N 428.536 0.674 30 20 ICED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 516350349 ITNYSDCAXAWQOT-CYBMUJFWSA-N 448.423 0.978 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 521940745 HDKSAEMCINIPPS-GOSISDBHSA-N 437.504 0.072 30 20 ICED C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 533387349 BDWLQJBOKLTEGF-QGZVFWFLSA-N 441.575 0.195 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)n1 543034029 FFVJPCGOJBQVMN-UHFFFAOYSA-N 438.835 0.672 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)CN1CCN(C)CC1 560017833 WSFQUNUBIXQHBD-SFHVURJKSA-N 427.549 0.928 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 560675249 OUUUJPVIHJJCOW-UHFFFAOYSA-N 447.605 0.523 30 20 ICED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589252048 VPYIIDLLUANTHD-UHFFFAOYSA-N 426.481 0.735 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)cc1 603734161 QVKFSDUMUUTPAV-UHFFFAOYSA-N 425.532 0.749 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CC1 603997906 AFCGLUSDULXPME-UHFFFAOYSA-N 434.499 0.870 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1F 609051532 DTOFKPYCRRTVNO-UHFFFAOYSA-N 435.423 0.664 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)s1 609570939 NAAFEAFBIQOHPS-UHFFFAOYSA-N 438.534 0.931 30 20 ICED N#CCN1CCC(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 613519337 GANPMEFMJOTBIG-UHFFFAOYSA-N 435.506 0.118 30 20 ICED Cc1noc(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 737278789 PXJUAXJUVYOFDF-LFVJCYFKSA-N 448.505 0.878 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752440034 VIEFWBVYDHKEIV-ZDUSSCGKSA-N 440.474 0.789 30 20 ICED N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cccc1S(N)(=O)=O 754972314 CWFQWHKLDXVUKA-UHFFFAOYSA-N 442.469 0.995 30 20 ICED N#Cc1cc(F)c(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 756592782 PWVIMTNJJKBPAB-CYBMUJFWSA-N 427.429 0.325 30 20 ICED CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756888597 BWLODLDOFRDYMD-MJBXVCDLSA-N 434.584 0.923 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2cc(Br)c(O)nc2=O)C1 757594482 QRUCZYKJHZCZOJ-ONGXEEELSA-N 442.270 0.587 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)nn1 761012365 RDKWLAYIZGYJGD-MJBXVCDLSA-N 433.469 0.780 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766275613 XORQTIPFOKHBAI-WFASDCNBSA-N 428.536 0.483 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NCc1ccccc1 767627603 ABQIDPWRFOTJKH-CQSZACIVSA-N 444.469 0.794 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)c1cc[nH]n1 772523794 JTYDFRNVUFYRPT-UHFFFAOYSA-N 443.526 0.260 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 774096636 RRGUDDBGDNLKSR-IAGOWNOFSA-N 433.486 0.611 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774576603 YYPAYUCRWSHOBK-KFWWJZLASA-N 449.533 0.794 30 20 ICED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 784605631 APVPDNRVCNLWDQ-UHFFFAOYSA-N 435.546 0.683 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1=O 793707385 NIWCIROQVQTBAF-IAGOWNOFSA-N 447.536 0.833 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CCOC)c2)c1=O 794577899 BFKQUMVIAYUKNJ-MRXNPFEDSA-N 428.514 0.437 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794646824 JIWXDBGUYHEERE-UHFFFAOYSA-N 429.505 0.819 30 20 ICED COC(=O)c1sc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C(=O)OC)c1C 798742753 SUSUMPMKDKMSKP-SECBINFHSA-N 435.418 0.836 30 20 ICED C#CCC[C@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 799082175 WWXNBQZKPHFNNI-SFHVURJKSA-N 435.546 0.499 30 20 ICED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 803785416 YXFUNJCCHVYWRR-SFHVURJKSA-N 438.462 0.911 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)ccn2)CC1 803849650 NYNPRHFCHGCPTH-UHFFFAOYSA-N 433.446 0.248 30 20 ICED N#Cc1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cnc1C(F)(F)F 815476679 GVYNCBKXYIVMCC-JTQLQIEISA-N 434.352 0.142 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 831250353 YZVWMQYVSGOHHX-GFCCVEGCSA-N 437.474 0.068 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 915632447 FIXCMRMRABNBFV-SFHVURJKSA-N 445.545 0.614 30 20 ICED N#C[C@@H](C(=O)NC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667331 UZEFRIMVVBHDFN-MRXNPFEDSA-N 433.486 0.846 30 20 ICED C=CCn1c(Cc2noc([C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)nnc1N1CCOCC1 1116794554 HICFKARBMOYTPG-CYBMUJFWSA-N 425.453 0.518 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1Cc1ccon1 1116873689 GCNLZKSPYLWVTA-UHFFFAOYSA-N 446.492 0.596 30 20 ICED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1298705031 BDFQRCOCFBWROU-CABCVRRESA-N 440.474 0.900 30 20 ICED Cn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1314902614 TXWQZCSRMZLAPA-INIZCTEOSA-N 427.490 0.859 30 20 ICED CCN(C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1318041379 NJDUHSCXYKSJSJ-LESCRADOSA-N 447.513 0.878 30 20 ICED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 1322633365 LKJBVLKMKZZYFT-RHSMWYFYSA-N 430.486 0.768 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(CC)CC 1322741575 YUCNOVHVOOGXKZ-CQSZACIVSA-N 430.552 0.987 30 20 ICED C=CCN(C(=O)/C=C(\C)C(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1347176732 OOVCTNMFVPVDFW-OMYPGEHRSA-N 444.575 0.336 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1360248359 PJXHIOBQSXCQKP-UONOGXRCSA-N 445.446 0.408 30 20 ICED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1360485417 IXAZKKNJQWWENC-GOEBONIOSA-N 445.549 0.798 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1508375773 LPWDMDSJBJLQRB-YOMUGFJLSA-N 440.504 0.698 30 20 ICED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1587714917 NLJJKVRMTGUJFK-CYBMUJFWSA-N 426.351 0.738 30 20 ICED CNC(=O)NC1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1646190810 UFYOWVFWRCKAPL-UHFFFAOYSA-N 441.492 0.848 30 20 ICED CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1691493826 LWQVUHYQEHIHGZ-UHFFFAOYSA-N 447.565 0.917 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1731012385 VHOWRJARFMBHMH-IAGOWNOFSA-N 443.533 0.552 30 20 ICED CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1741170866 IWBFHWOTBUDHBJ-UHFFFAOYSA-N 432.554 0.718 30 20 ICED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)COC1 1751278240 UIKXMIQEZFPDRF-QAPCUYQASA-N 438.554 0.778 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1769244349 SSVDJGIOFFHVCG-NVXWUHKLSA-N 444.517 0.203 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779101242 IYBNPAFSCHNCTK-CMEFWWCBSA-N 442.476 0.702 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1)C(F)(F)F 1779182171 WZQDENBADHBSMA-UGSOOPFHSA-N 441.410 0.543 30 20 ICED C#CC(=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 1781061016 VFRSWKGETJWKDL-MPWIWIEXSA-N 433.505 0.474 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2)C(F)(F)F 1781805135 GXSMNUVJXFMVBM-HDMKZQKVSA-N 435.443 0.770 30 20 ICED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781967786 XTPRDXKSUMHHQP-SFHVURJKSA-N 425.894 0.700 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(C#N)c1 1783164834 DKCNWNANUBAFOD-VGOFRKELSA-N 426.473 0.075 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844539 KZXXIGZOFTXEIY-GCPWLZLNSA-N 441.528 0.559 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1785421095 KUJHPUFHYIMISJ-JTSKRJEESA-N 433.505 0.808 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1785572470 LDMVANZDVDBROR-HTAPYJJXSA-N 445.520 0.780 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788489632 IKUZMVZHHZBRSP-FKOFFESCSA-N 443.566 0.654 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)c1 1789255928 NZBSDWJUCPUWPN-WBAXXEDZSA-N 435.502 0.205 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789715813 BZRQCSFYSAKUOX-VJANTYMQSA-N 441.532 0.825 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1cncn1 1791610643 IIVOGPXBZKFYMR-STOCJWEISA-N 434.497 0.348 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1792257813 MPCZVROFWTUODD-VGWMRTNUSA-N 446.508 0.315 30 20 ICED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c1 1792940608 OPBTYLJFKHHPCI-WKCHPHFGSA-N 428.533 0.416 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1793340136 MAROMABSEDNZGK-DFBDCSAJSA-N 435.521 0.624 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(OC)cn2)c1 1794949699 FKYRJCJXGHWILR-CWPLJXCYSA-N 437.456 0.882 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@H]1SC(=N)NC1=O 1796423811 WKZAVXCELQWYAB-FVNRHKFKSA-N 440.525 0.430 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839685 WJHSYHGSOUHEOC-IITUFWFWSA-N 434.493 0.813 30 20 ICED O=C(O)c1cnncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494885 YEZWOWKVSUJXRV-XXLYBSINSA-N 431.449 0.956 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799326993 NGECQJHXBSTQIO-OIYLLELPSA-N 428.464 0.869 30 20 ICED 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[nH]c1)C2 1802127878 RYZYZBFGITXLHS-YVSFHVDLSA-N 431.493 0.530 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1804808674 TXTMKKPXPFOQJR-SYNHAJSKSA-N 435.484 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(=O)NCC(C)C)[C@@H]1c1cccnc1 1808444472 GFTMYNGCRJVZCS-USTRKRCUSA-N 441.532 0.718 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811789958 AJCCDUDEDXNIGI-GHTZIAJQSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1812874247 IMSIPVZKVSSHJL-IERDGZPVSA-N 435.440 0.000 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815770982 MMUTUIZZHIBEQK-KBPBESRZSA-N 446.464 0.509 30 20 ICED C=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)C(O)O)C3)C2)C1 1828484848 QCNPJEQJKSFEDD-HSZRJFAPSA-N 443.500 0.715 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1830057296 AGUGMEQJMSYNSN-DENIHFKCSA-N 442.472 0.727 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1831392814 PANCNBIFCUDMED-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831399175 QLRGPAKVQSRVKL-VGSWGCGISA-N 426.473 0.443 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832471127 GDCFQOOVUABEPN-DKZVUGQWSA-N 433.574 0.818 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833123452 UCQNWBDLXGWPBB-VQIMIIECSA-N 434.581 0.657 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834395896 OIOIJNGDWAYAIS-QFIPXVFZSA-N 430.505 0.189 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1Cl 1835067887 XYSVUPOUIPQORJ-SFHVURJKSA-N 432.956 0.683 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc4ncccn34)CC2)CC1 1835385200 UCLHXNFSPLGIIL-KRWDZBQOSA-N 438.532 0.953 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cn4ccsc4n3)CC2)CC1 1835595460 WFDHDJZUBSKBMZ-UHFFFAOYSA-N 429.502 0.669 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835704100 KLFWLEIFTMONTI-SJORKVTESA-N 435.569 0.304 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1)n1cnnn1 1835782918 ZENNJDQFSBZHHK-QPNANDPSSA-N 442.524 0.518 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837242873 MIPLIMMLSYOFFV-KKMKAZDVSA-N 431.555 0.402 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1837446364 KAIBJHUYXFHWCN-QIIHTHDDSA-N 434.562 0.790 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cc(Cl)ccn4)CCO3)C2)CC1 1837652484 WVKCAARLGGFQKN-FQEVSTJZSA-N 434.880 0.874 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838506626 FZVQQDUNWFTLJU-VLIAUNLRSA-N 447.517 0.747 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c1Cl 1838598370 CTYPACJMMJOWEX-FQEVSTJZSA-N 445.863 0.158 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1)C(F)(F)F 1839892855 INVCBXIAHAPXQM-KBXCAEBGSA-N 443.426 0.852 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840161568 TZTZLQMPWHJKBQ-VLIAUNLRSA-N 443.566 0.628 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840445965 WITKXRRZAFAZBW-QFIPXVFZSA-N 438.488 0.239 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647367 FAJKTGUFWFUJJT-ZHRRBRCNSA-N 446.504 0.656 30 20 ICED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccc(O)cc1 1846415241 BMZHTACGARZRDW-QGZVFWFLSA-N 438.484 0.644 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100586 PVHDXCQACXXVQO-INIZCTEOSA-N 449.552 0.945 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c1 21593049 TVJVQLCPXWCJAA-UHFFFAOYSA-N 433.490 0.571 30 20 ICED C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 25623997 XQCXZIHLAYNHLH-BEFAXECRSA-N 434.543 0.845 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Cc2occc2C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410179002 PORXPEVGRKOJJV-QZTJIDSGSA-N 442.516 0.926 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 410405767 ZHOOAXICZIPKLG-LSDHHAIUSA-N 426.543 0.692 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C1CCC1 431044810 YIHORNZLGZQAPB-UHFFFAOYSA-N 429.546 0.897 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 434010272 GAKALJBYZIGVPA-INIZCTEOSA-N 427.548 0.791 30 20 ICED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2)C1 438873389 ZIFAXYGKMWSMBM-KGLIPLIRSA-N 436.490 0.617 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCO1 461170454 OMQXPBZTHLULEJ-HZPDHXFCSA-N 439.524 0.972 30 20 ICED Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)no1 465134804 XILSJLWIZHBOLP-JSGCOSHPSA-N 429.506 1.442 30 20 ICED C=CCc1ccc(OC[C@@H](O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(OC)c1 467292785 WGBZNEBQLUEIQT-KRWDZBQOSA-N 445.520 0.126 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(S(=O)(=O)CCO)cc1 480662216 JOBPRSFOAHMATQ-UHFFFAOYSA-N 425.444 0.711 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482813520 URFWDOWTLIPHHJ-LSDHHAIUSA-N 439.501 0.624 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C#N)CC3)c2)CC1 490454070 OSACFZPLEQWKPR-UHFFFAOYSA-N 433.534 0.713 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 491172296 QESIHVZFQBEPLY-UHFFFAOYSA-N 427.505 0.308 30 20 ICED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 506700358 LZPDJUKCBWQYBR-MRXNPFEDSA-N 445.505 0.019 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 508344862 VIZPVCJWIJGMOE-XJKSGUPXSA-N 441.531 0.077 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 517257820 HBNVAFMHUJZRJS-SFHVURJKSA-N 437.504 0.480 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)c1 518724434 ZQGIHFPCCKAUFD-UHFFFAOYSA-N 426.542 0.824 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 520085071 QDSAJVLKOKKFSH-UHFFFAOYSA-N 428.474 0.149 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NCC#N 522888701 HZZFLXOJECLIDX-UHFFFAOYSA-N 442.519 0.028 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)C1=O 522976605 JOCWGAQEAXLQGV-UHFFFAOYSA-N 428.445 0.265 30 20 ICED NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 525692325 RAGIYFDYWTYWKJ-UHFFFAOYSA-N 429.376 0.844 30 20 ICED C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 532718105 RAHBIORWKZSUFL-INIZCTEOSA-N 429.564 0.859 30 20 ICED C=CCNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 537521260 PULXZQPLOCRIGC-UHFFFAOYSA-N 430.446 0.501 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)c(F)c1 543012008 PUSGLVMPSHHCPA-KRWDZBQOSA-N 440.435 0.671 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 546709926 XIDXODDXSASOAA-UHFFFAOYSA-N 438.506 0.404 30 20 ICED CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 550871787 RHUONKJCFOPXBP-UHFFFAOYSA-N 436.516 0.859 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 553976741 LORZKFRIUJBIMP-DEOSSOPVSA-N 441.576 0.604 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cc1OC 555047803 UPUNSUFHDNWUNG-UHFFFAOYSA-N 440.522 0.057 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)C1=O 557332870 PJUWEUKBELMFPW-FQEVSTJZSA-N 441.532 0.217 30 20 ICED C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 562899406 IARDUNHFILNPGQ-XWBFJWKOSA-N 438.575 0.232 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 566538145 HDMOLUBUZRTRMN-OAHLLOKOSA-N 438.506 0.404 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 584879182 CUFJNBFNNOZRQP-UHFFFAOYSA-N 444.883 1.076 30 20 ICED CNC(=O)c1cccc(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 587654113 MXEFJLMEUJKYND-UHFFFAOYSA-N 434.500 0.757 30 20 ICED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654379 NDUGZADLAJQZFA-QGZVFWFLSA-N 440.548 0.750 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(C)c3)c(=O)n2CC)CC1 589776204 KUUMADCMQNCLCX-UHFFFAOYSA-N 440.569 0.914 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 604677458 FTXGUKMUQBGROW-UHFFFAOYSA-N 434.449 0.644 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](N3CCCCC3)C2)CC1 609351297 FNZSTUOODJHZOK-FQEVSTJZSA-N 445.589 0.951 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)cn2)CC1 611646883 IKPSKZFUNPZHSI-UHFFFAOYSA-N 434.522 0.254 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 670839169 CUOSGFAKAXFNKZ-UHFFFAOYSA-N 442.969 0.891 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O 726577266 LBJPOXAASAPQSE-UHFFFAOYSA-N 436.518 0.941 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 732893254 AKWNPUXZURQGJU-UHFFFAOYSA-N 431.880 0.796 30 20 ICED CCOc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1OCC(=O)OC 732910002 IXFMNXCRZNDDGG-CQSZACIVSA-N 438.458 0.217 30 20 ICED N#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 735862361 OKCNXUZOYIKSNB-INIZCTEOSA-N 442.519 0.255 30 20 ICED Cc1oc(NC(=O)COC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c(C#N)c1C 738856310 TXDPHVKAKPCGJY-UHFFFAOYSA-N 425.401 0.818 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CON=C(N)c2ccc(F)cc2)CC1 747826052 BBMXIYYNERJAJN-UHFFFAOYSA-N 439.469 0.601 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 747993390 JKQMAMZEVOONJO-UHFFFAOYSA-N 439.516 0.001 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 754449835 QRDVVUFIOXHQCN-HBIPHATFSA-N 435.531 0.274 30 20 ICED C#C[C@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775797521 DQVMQHMNRQAFTA-DLBZAZTESA-N 437.518 0.425 30 20 ICED COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2cn(Cc3cccnc3)nn2)NC(=S)N1 783936821 AQPZOAUELOMQSN-INIZCTEOSA-N 435.469 0.945 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 788618267 YWUUMNIRIQSXES-UHFFFAOYSA-N 425.308 0.376 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 793819037 GANBQRTUUPSDRB-MNVSYLFESA-N 449.508 0.477 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCOC3)c2=O)cn1 794641077 CJGZQJRMCOSSPG-GOEBONIOSA-N 428.514 0.179 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1cc[nH]n1 794913282 ZTIITCBZEFTHAD-UHFFFAOYSA-N 428.449 0.264 30 20 ICED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 795832250 COPKOMJYIDBQSR-KRWDZBQOSA-N 437.334 0.981 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(OCCO)CCOCC2)cc1C#N 800660827 MLXUXVWEXBUOFA-UHFFFAOYSA-N 434.449 0.739 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 804755592 BACATRKLPOMMGL-UHFFFAOYSA-N 445.524 0.232 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 806459071 AZHAVGLGXMCAJL-ZDUSSCGKSA-N 430.508 0.156 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)nc1 807847029 RKSJXQNWSXDGPK-IBGZPJMESA-N 434.500 0.831 30 20 ICED COC(=O)N1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cn2)CC1 818903448 LAILALMYRABHRQ-HNENSFHCSA-N 428.449 0.825 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC 916664539 DTCRMCYSKVXWFY-UHFFFAOYSA-N 427.482 0.133 30 20 ICED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 918318374 WCWDBEKUHRCIBF-UHFFFAOYSA-N 427.914 0.881 30 20 ICED CN1N=C(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1=O 919020666 MSICNKVKIHLJRK-UHFFFAOYSA-N 440.416 0.606 30 20 ICED N#Cc1ccccc1OCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 919059778 ZWWITJCVMWGVKG-UHFFFAOYSA-N 429.454 0.915 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCS(=O)(=O)CC2CC2)c1 1302989875 RCVIFHXXVVLZTE-UHFFFAOYSA-N 449.558 0.876 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)CC1 1312884624 KLTOKVPZQMHRSN-FQEVSTJZSA-N 446.577 0.755 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1323470344 FUBIADQDAKZYBQ-CLCXKQKWSA-N 434.522 0.305 30 20 ICED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508688356 HIZOJEXXNYTNSD-CVEARBPZSA-N 449.581 0.619 30 20 ICED CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1546550260 QWSBDYVBMDIQDD-YLJYHZDGSA-N 431.518 0.840 30 20 ICED N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)s1 1623707725 JFEPICFVMJBVOJ-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1=O 1696880245 JBXFAYDBYZYDHA-QGZVFWFLSA-N 443.533 0.519 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750932606 LXOSVUBBVVTQIH-HNNXBMFYSA-N 437.570 0.828 30 20 ICED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1750949141 OLXHZHMBGQEEGO-IBGZPJMESA-N 449.512 0.837 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N(C)C 1761500641 MMGHBIOOZDRRNU-JQHSSLGASA-N 447.565 0.920 30 20 ICED CNS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1769362719 RWELCSYRLIMUML-UONOGXRCSA-N 438.485 0.835 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107421 UGMWOQNGDIYZHL-QOZQDQEPSA-N 447.536 0.938 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1781263851 GKGWWMMDNOQBFK-PGRDOPGGSA-N 437.537 0.877 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1781269402 PUKMNNULQXYQAW-OAQYLSRUSA-N 427.461 0.682 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781650633 XIHHVWBPEKZACC-TVKQPGBESA-N 428.551 0.669 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(C#N)c1 1782013804 LNQSTAHAGGMHMU-AUSIDOKSSA-N 439.468 0.711 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015239 BZIHMSFPQVTSTN-QNFHRHJVSA-N 434.489 0.568 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)CCO2 1783046181 KCWNMYINDNFRAD-IIBYNOLFSA-N 433.505 0.618 30 20 ICED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C(F)(F)F 1783206851 XYBFPRAFHJZBOP-SJKOYZFVSA-N 437.415 0.778 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1784494791 ZHJJBODHENDFAT-ACRUOGEOSA-N 448.608 0.729 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1785573279 ULVJPAKEYIEFSU-OPAMFIHVSA-N 445.520 0.780 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)c1ccccc1 1786808063 VMIFNEQLIGSBOA-MUGJNUQGSA-N 425.533 0.646 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1786860357 YUOAMMSFUULYAW-KKUMJFAQSA-N 435.554 0.158 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788614582 OXJLCKBSXRLOHK-YHUYYLMFSA-N 426.583 0.023 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1792145856 RNSDAZXTPHGJRZ-MPGHIAIKSA-N 425.445 0.659 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(=O)OC(C)(C)C)C2 1792484760 OMCVUNFVSVTQEO-KIOJXLHQSA-N 449.548 0.946 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829401 GBGUHTNEWASWJH-IIZPIQPGSA-N 426.517 0.995 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412272 HYZFEUUVAVKXDA-IVSAIRAKSA-N 446.504 0.806 30 20 ICED 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)NC(=O)c1ccccn1)C2 1797710099 GEKRIEXSPUOGLI-APWQULEDSA-N 444.532 0.363 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)c1cc(=O)nc2cccnn12 1798431027 AOLRXGSPGIBAKX-MOINTJSASA-N 437.504 0.813 30 20 ICED Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)no1 1798431499 VBPKGPNNFFBPMQ-RAMSDQDYSA-N 430.509 0.823 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)ccc1F 1798634828 HBCHKTQYWWBFTK-YVWYUNDQSA-N 425.420 0.227 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799071981 DRZZETNMBUQCBB-SCNOPHJPSA-N 448.545 0.072 30 20 ICED O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800179177 JCRCAULWSRVUIG-YCPLQKHPSA-N 430.509 0.176 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1802488436 XILGUDVYNDWFLP-NLYBUUEHSA-N 439.516 0.567 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1802578055 OKFJJHHWQVAJSU-UGKGYDQZSA-N 430.472 0.888 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1802689475 YGDMIODQGPUXEC-FPOVZHCZSA-N 440.548 0.801 30 20 ICED 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 1804373429 CGZFLCFNAOGVRW-QEOTZNIISA-N 449.552 0.134 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807351192 WKUJSALFLWUJLN-PBHICJAKSA-N 434.460 0.682 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808410193 BTNFSDFMGAQRMB-QILLFSRXSA-N 440.591 0.831 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)/C=C(\C)NC(C)=O)[C@@H]1c1cccnc1 1812315669 HXVLVVLWCJZMFC-SSXGZOAKSA-N 439.516 0.986 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814807643 AEAPVZHAXZIEMR-KGLIPLIRSA-N 426.502 0.833 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cn2cnnn2)CC3)c1 1821384353 FMNHZBSOMLNNKG-CYBMUJFWSA-N 438.473 0.936 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826933646 ORCWKIQNRGAPDM-NNFADHLQSA-N 434.585 0.671 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829856626 NZEFNWAGBVFNQZ-REWPJTCUSA-N 427.501 0.409 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1ccnc1 1830981575 XVKCMQRHKFWTHP-YGGSFQBMSA-N 449.508 0.430 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C)C2)C1 1831391138 ICCUQDGRNLCJBS-CVDCTZTESA-N 430.501 0.869 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831419934 RRMDUGFOSHWGJL-FOIQADDNSA-N 438.550 0.827 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831609706 OWOTUSLXSMYHAQ-QRQCRPRQSA-N 446.479 0.208 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)CC1 1831933509 DITTXMQZMNWKJZ-OXUXSNCKSA-N 430.549 0.991 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832160730 OEFURZFMDNFUNG-DOPJRALCSA-N 438.443 0.329 30 20 ICED CC#C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2)c1ccc(O)cc1 1834945716 XFFLITHOCXPRGQ-YKSBVNFPSA-N 443.544 0.907 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1 1835068604 LRGPIIRKKQFEDT-IERDGZPVSA-N 426.565 0.785 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1835099542 MLCNKAVXFHDALN-QHCPKHFHSA-N 446.467 0.246 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1Cl 1835124895 PMYHFHYFTGUMLW-KKSFZXQISA-N 446.891 0.560 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835717345 DEGKDSDRVCOMKH-IBGZPJMESA-N 445.564 0.388 30 20 ICED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1835767273 MAPLUCNFKTXUBP-IXOWOOARSA-N 447.540 0.529 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835825553 OCUJBNSQOJQHBU-NZQKXSOJSA-N 446.548 0.911 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1836082133 ZJJVICPVCXKYGF-KQBANSRISA-N 447.517 0.558 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)c1 1836162438 XTXJWIUXOYVTHH-HSZRJFAPSA-N 437.500 0.844 30 20 ICED CCOc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cnc2c1cnn2C 1836377019 MWDZQNXRJSZVLD-OAQYLSRUSA-N 442.476 0.351 30 20 ICED Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1837557032 RFLNAMFEGYHLEI-ATKOVBFVSA-N 425.445 0.966 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)cc1 1837630336 QRIXLNFTJMLQHL-QHCPKHFHSA-N 449.467 0.662 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793077 VLNKGRULHQFGKO-PBHICJAKSA-N 427.483 0.342 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C)[nH]n4)C3)C2)c1 1838582276 ITTOTFVMTWEJPN-JOCHJYFZSA-N 439.472 0.982 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c(O)c1 1838738896 DTCUIQSKEPPHSH-JOCHJYFZSA-N 440.456 0.984 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421836 NYQGXLBHVHPBDC-YTIHOSAGSA-N 444.463 0.807 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1839453023 KCUNSORQRLPWLJ-HSZRJFAPSA-N 436.468 0.884 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839549645 GMTFYKSZGFVURF-QFIPXVFZSA-N 425.489 0.911 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667556 WPKLADYEDWSCJS-MBSDFSHPSA-N 442.516 0.460 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839737900 DNXXJYZDSUZUFD-KZULUSFZSA-N 441.410 0.513 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)s1 1840163428 SXIAITQEISXMKC-BFUOFWGJSA-N 442.559 0.852 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381827 WENCSZIIEOPMCF-INIZCTEOSA-N 431.465 0.565 30 20 ICED COc1ccc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840655488 WQHZSLKPBKWMEM-HXUWFJFHSA-N 436.848 0.507 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)no1 1844309245 MAZJNGFCUXULGM-UHFFFAOYSA-N 428.489 0.615 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[C@H]2OCC[C@H]21 1846184680 ANZXCTXDPVAMLR-HDMKZQKVSA-N 447.488 0.302 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1847644957 XUPQHANPYBDANJ-UBDQQSCGSA-N 433.505 0.805 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)C(=O)C1 1847749232 IXJSBUQMNZVSIB-ROUUACIJSA-N 444.532 0.681 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213640 FWDLSEKMPQPDIZ-AMXJKRIMSA-N 439.472 0.907 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 22832329 UCFHECDYIOFVBV-UHFFFAOYSA-N 430.442 0.406 30 20 ICED CCN(C(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 27104676 VBPJFTDFNIIIML-HNNXBMFYSA-N 447.517 0.964 30 20 ICED COc1cc(C#N)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 59252984 UBRRQRUTCTYUGP-UHFFFAOYSA-N 444.469 0.705 30 20 ICED O=C(CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)NC1CCCCC1 60725540 QFXOLVCSDAVYKJ-UHFFFAOYSA-N 449.533 0.661 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C1 410130599 NKNXVYFFAVAUPF-IAGOWNOFSA-N 448.615 0.685 30 20 ICED Cc1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 439047904 QXIQJSBWZVRIPR-UHFFFAOYSA-N 436.447 0.914 30 20 ICED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)cc1 443681917 NEPZZSNNKLTMHN-UHFFFAOYSA-N 443.550 0.841 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 443727974 AGGVOKCDJGHJRV-JTQLQIEISA-N 431.473 0.641 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 447216107 FNBOKWRNVDAOPI-UOVPBQLFSA-N 436.468 0.464 30 20 ICED CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2 473575241 MDORGEIIALOKTL-FQEVSTJZSA-N 437.504 0.625 30 20 ICED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)N4CCCCCC4)CC3)C2=O)cc1 477089146 ZXFRYNGZCFMBER-LJQANCHMSA-N 445.545 0.929 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 480807732 VDCVHYJKTWRDTO-DZGCQCFKSA-N 428.536 0.013 30 20 ICED CCN(C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 481786062 KEHZMPFKHHWTET-CQSZACIVSA-N 442.563 0.498 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 482504099 GBQRVRGACPLNOE-BLVKFPJESA-N 433.490 0.062 30 20 ICED CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1(C)C 496394081 LJRFYUUUHQWKEJ-UHFFFAOYSA-N 430.528 0.488 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502716921 UAYNYNVCHVDQLU-IRXDYDNUSA-N 437.518 0.340 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)c1 505979141 MGCBDPUQTOKUST-UHFFFAOYSA-N 428.518 0.904 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)cn1 506752562 GLMNRSGWZWXZJP-QGZVFWFLSA-N 445.439 0.834 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C(C2CC2)C2CC2)c1=O 512730428 RHAMIKZDTYPHSR-UHFFFAOYSA-N 441.557 0.753 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(C(N)=O)cc1 512748278 YADLDYIQGAHVBA-UHFFFAOYSA-N 448.508 0.020 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCCSC 514491281 BIYXSDSIXNOMTL-UHFFFAOYSA-N 447.582 0.937 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1=O 522124537 IKTUMUGWJBTYRY-UHFFFAOYSA-N 435.444 0.352 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)o2)c1=O 530317961 UVVVXXUHENERMM-AWEZNQCLSA-N 427.482 0.910 30 20 ICED C[C@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532576681 BNTIDJYBEUQWIC-LSDHHAIUSA-N 447.517 0.962 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 537033568 QBJVWVVCJQHMGC-RBUKOAKNSA-N 435.569 0.412 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)c(Cl)c2)n(CC(N)=O)c1=O 538006150 IXTDSJQOJMQFTQ-UHFFFAOYSA-N 445.863 0.307 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1=O 553070132 GWKPDQOFMXBZER-FQEVSTJZSA-N 428.533 0.505 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 561537180 NFNXWXAITTYZNS-UHFFFAOYSA-N 435.510 0.885 30 20 ICED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 562036180 QTYNHRHYIUZEHH-PMERELPUSA-N 431.474 0.482 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C#N 568807368 XRZBTRQMRFYSHD-UHFFFAOYSA-N 436.925 0.881 30 20 ICED CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC(=O)NCC#N 573828267 OARLVEPGFDKRFC-ZDUSSCGKSA-N 430.324 0.798 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 578697389 ZMWKTRISKMGPOD-UHFFFAOYSA-N 428.514 0.475 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1 582577791 ZMIPMQNQYHXFOC-UHFFFAOYSA-N 441.513 0.900 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c1 588992190 SIWJVRYFVMFABX-SFHVURJKSA-N 429.477 0.029 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCCOC)cc2)c1=O 609333547 JAKZVBVXEOWZSS-UHFFFAOYSA-N 431.514 0.221 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(CCC(N)=O)n3)CC2)cc1 609789085 VWPQEHDSZNIIAJ-UHFFFAOYSA-N 430.490 0.670 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCOCC 610358270 ZOXNKTICNSAUCE-UHFFFAOYSA-N 427.526 0.898 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574373 NAGNQLVWXCUOHM-UHFFFAOYSA-N 436.537 0.834 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1=O 726042122 DOYWENFGIPBSKO-UONOGXRCSA-N 445.428 0.193 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)nc1 732912473 MWIJLDBRLWOYQC-UHFFFAOYSA-N 448.526 0.804 30 20 ICED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 733852509 XZMOOUOVBCXQOD-KRWDZBQOSA-N 441.488 0.870 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 740518627 HCELTGYCHWRIGY-UHFFFAOYSA-N 425.532 0.437 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742487085 JZAVONOULVZNMC-OAHLLOKOSA-N 435.550 0.173 30 20 ICED C[C@H](CC(=O)N(C)CCN(C)C1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742671572 WTHVEXFIJFRWOM-MRXNPFEDSA-N 435.594 0.988 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)cn1 743726063 CLMHYUBXOFEDEP-UHFFFAOYSA-N 427.530 0.649 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C1 755537357 MXKVMNBHSUFLIO-OCCSQVGLSA-N 426.437 0.476 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)c3cnccn3)CC2)cc1 758576576 DMDXRVJGXLFMDM-UHFFFAOYSA-N 435.487 0.254 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 761038003 RNMBVLAOVHDFII-UHFFFAOYSA-N 433.534 0.227 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cnc2n(C)c1=O 762011967 VNKTUHSCLIACCY-KRWDZBQOSA-N 448.439 0.042 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCNC(=O)C1 763235292 MKKYMCVXWSRUIN-INIZCTEOSA-N 435.550 0.222 30 20 ICED CS(=O)(=O)[C@H]1CCCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 769726994 DFIJPPDXLUTFGP-AWEZNQCLSA-N 427.548 0.931 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 777361107 NDEFLEPGDRUPCP-LBPRGKRZSA-N 430.446 0.050 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CCC 782587729 WXDPVDMJETYBQE-UHFFFAOYSA-N 438.351 0.845 30 20 ICED Cc1nn(CCS(C)(=O)=O)c(C)c1CON=C(N)c1ccc(S(C)(=O)=O)cc1 797844912 NOMBBHMKPJPKHK-UHFFFAOYSA-N 428.536 0.785 30 20 ICED C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 798362414 GKBROECTDMWIRQ-DAYLYLOZSA-N 436.559 0.928 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 800762733 MQZUOSPQAHVYQT-UHFFFAOYSA-N 432.414 0.951 30 20 ICED C[C@H](CC(=O)NC[C@H](N1CCOCC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 803597473 QNFPXWRIKZWUFM-DOMZBBRYSA-N 448.467 0.883 30 20 ICED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 810782379 OHPCSXZSNOEXEX-MRXNPFEDSA-N 442.291 0.685 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 913055119 HKXQMSPSLNZKJH-MRXNPFEDSA-N 434.518 0.355 30 20 ICED N#C[C@H](C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(=O)NC1CC1 917427394 VUWYCLAQDGLNFX-OAHLLOKOSA-N 446.485 0.757 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303004193 OCMDXRREPQCVQN-HZSPNIEDSA-N 443.430 0.221 30 20 ICED CN1CCN(C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1311866474 XVQPQPOUCBVYGE-SFHVURJKSA-N 425.493 0.108 30 20 ICED O=C(N=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1317906036 NLXBLSRQSFSACC-UHFFFAOYSA-N 435.483 0.586 30 20 ICED CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)N[C@H]1C 1318156851 LTHHJKAIUWFNBU-GXTWGEPZSA-N 426.429 0.973 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 1318770489 AJGJWDVLQWEZLA-IEBWSBKVSA-N 425.489 0.944 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1502472360 RYHAOOPUYUBQPB-QZTJIDSGSA-N 446.533 0.750 30 20 ICED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1504596561 MEVZBTPOMUBAOC-QGZVFWFLSA-N 435.506 0.625 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)c1 1519512689 SRBAESXLRYSYBN-HOTGVXAUSA-N 433.490 0.493 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cnccc2C#N)CC1 1556823426 WRAHFFNLKXVHSL-CXAGYDPISA-N 435.531 0.391 30 20 ICED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1616142152 KMRLXQZRHCTDSQ-GPMSIDNRSA-N 440.570 0.950 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCOC2=O)c1 1620349675 QYFVLMCGMJOIAR-UHFFFAOYSA-N 430.490 0.894 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 1626954055 KHBDIVBPNDVAFE-JZXOWHBKSA-N 434.562 0.951 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(=O)n1C 1656779078 RXNGCSQCDLTEAK-HNNXBMFYSA-N 432.433 0.210 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1690328373 KLIDOPIQNJNCRQ-KGLIPLIRSA-N 429.934 0.743 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCSCC1 1692538350 HVGAFLYFQBWIST-QGZVFWFLSA-N 432.598 0.642 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCc2cn[nH]c2)cc1 1698488011 AMCBDVPAIMYXCG-UHFFFAOYSA-N 427.490 0.929 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1705747744 TWQSFJRANZBINQ-LSDHHAIUSA-N 432.978 0.799 30 20 ICED CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1767803132 ZZOKGYSAQWZBIK-OAHLLOKOSA-N 432.492 0.853 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1778999528 GTFZJOACMADUHG-NRFANRHFSA-N 433.629 0.707 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065159 NYDZVYMDKWBUJX-HTAPYJJXSA-N 434.537 0.223 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)c1 1779220928 LFPQBJYBWQQOSS-OPAMFIHVSA-N 438.488 0.938 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173749 CTWZYLKMOGRIQF-UGKGYDQZSA-N 444.488 0.161 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1780599534 CNUCMHAOSUQVDS-HSZRJFAPSA-N 425.533 0.639 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(OC)cc2C#N)C1 1780687417 GTAGAMNVPAUOJS-AUSIDOKSSA-N 442.516 0.759 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1781395869 LIEAOQJRBHALSM-RXVVDRJESA-N 435.569 0.397 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO3)c1 1781967046 OIYMEUNNMVPMBF-XLIONFOSSA-N 435.477 0.718 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(C)=O)[nH]n3)C[C@@H]21 1783530380 WBZDPEJJAMFCRM-DPQFCDQXSA-N 429.477 0.064 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686060 HMMCFVVBUGXYTI-UGKGYDQZSA-N 442.553 0.725 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]3C2)C1 1783990160 MHNMWSSAFUFCDF-OWLYRPNTSA-N 437.537 0.818 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1784482568 FECWUIOZOXQPIZ-IGGJEDBVSA-N 443.548 0.350 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1784504966 VUXRXRVSBUENEA-JKQORVJESA-N 446.529 0.940 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785317530 AXVGOFHVTPYCIG-JOCHJYFZSA-N 447.488 0.472 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1785380515 VSNNZJZXRVXGFJ-NRFANRHFSA-N 439.476 0.100 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787081837 SDSCPUKAJIDDFD-BQFCYCMXSA-N 445.520 0.271 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3ON=C(c4ccccc4)O3)[C@H]2C1 1788515824 FLLNYZVDOSAORR-PXMVHEFSSA-N 441.484 0.739 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c1Cl 1788556877 ZRFMZNOGBRLPRC-NOLJZWGESA-N 429.864 0.681 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788574645 HTRSSPCJGMNXHB-CBVHJVASSA-N 427.505 0.896 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789797375 KERCAFIPJOIJQV-OWSLCNJRSA-N 428.524 0.813 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790750479 JAIAZSLENJWKND-MUGJNUQGSA-N 445.541 0.923 30 20 ICED CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccc(F)cc1 1791078930 LPGYMUZYIYOMIR-QUJKESNLSA-N 445.447 0.071 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)cc1 1795469633 CHSRHMKTTVIOPW-VTYHHJSWSA-N 426.517 0.678 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795882144 OHENJYWVBWDPNK-FCGDIQPGSA-N 448.564 0.873 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797768465 JROMSUZVFCLOIX-HCBXPFHNSA-N 434.500 0.981 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498288 INIURULWBJJURL-GGNLRSJOSA-N 431.518 0.247 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](CCN(C)C)(Cc1ccccc1)C(=O)O)C2 1800455925 ZCIZLPMOGZHNDZ-RRZZWSPOSA-N 441.528 0.475 30 20 ICED CC(=O)c1ccc(OCCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800773420 CHOKGKLYKHHEPG-FEJSZKPUSA-N 442.468 0.726 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1801989506 JHMPGIPTWRZCOH-OPOADAIRSA-N 426.473 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCNC(C)=O)[C@@H]1c1cccnc1 1802489768 LZHMAJBZNMWBJZ-YTWXUOMVSA-N 427.505 0.472 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 1804850583 AFYGHHDOIZFQET-PLNGDYQASA-N 444.492 0.881 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810223556 PRSWEUWHLABUNC-KXBFYZLASA-N 427.461 0.473 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815470808 RKLUTQDPSUFYFZ-HOCLYGCPSA-N 427.461 0.755 30 20 ICED O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1826318004 CDRFKHOQBUYIQN-PITUFAOZSA-N 441.469 0.692 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829307809 GSTLYRUJZMMTLL-GAJHUEQPSA-N 440.500 0.596 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829629970 KZBKOGLHCWKADS-QHCPKHFHSA-N 437.500 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1829764989 ZQFWXDKFLIEOLP-KSEXMQBYSA-N 442.516 0.247 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831398579 HJRXLHBHVDMCMH-VFNWGFHPSA-N 447.444 0.409 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/c3cccnc3)C2)C1 1831402811 RXMKUGPIODBSOG-GAFXBCEWSA-N 427.501 0.980 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831424190 FAMRHAVMYDANEX-KNBMTAEXSA-N 438.550 0.060 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1831438104 MMPFFHUSUMCFQW-KSFYIVLOSA-N 431.489 0.447 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1831632347 NFNMNWOTCXIPBX-NYHFZMIOSA-N 441.488 0.787 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672708 ITDBRLLYHLKIEK-MOPGFXCFSA-N 443.504 0.165 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831694942 VNVBOGYUIUFJMJ-OAQYLSRUSA-N 431.493 0.119 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832590049 CRZFSBGTHSUCJQ-WZONZLPQSA-N 445.516 0.518 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nc(C)cc1C)CCO2 1833035866 UBJRTLLNUBUJTG-JOCHJYFZSA-N 434.537 0.939 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833387682 AXWNDIIFLQFNNV-KSFYIVLOSA-N 448.520 0.030 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833433565 FNRGYQTYFASDQL-JTSKRJEESA-N 448.520 0.518 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1833467749 YJDUUKSQBUIZNH-UXHICEINSA-N 447.624 0.232 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762472 BYQSDKRVIQINRR-RTBURBONSA-N 445.564 0.925 30 20 ICED CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1 1834014609 UDOCCJDCTLBMDM-UHFFFAOYSA-N 427.505 0.421 30 20 ICED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)N1 1834526329 HDGGVCWLNCVATO-STZHKLFZSA-N 449.552 0.366 30 20 ICED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834654000 HAQHRTJNPSZWTR-UHFFFAOYSA-N 449.621 0.883 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(C(F)(F)F)cn4)C3)C2)CC1 1835342153 LRKKHZRODXGXDP-SFHVURJKSA-N 439.394 0.869 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1836860133 WSLUCGNEDORSNG-OAHLLOKOSA-N 435.550 0.934 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836966957 NWZAVNDISASTFV-HXUWFJFHSA-N 436.534 0.655 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118606 XHIWEJFWKBTXHT-JTSKRJEESA-N 428.489 0.995 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445302 OTFGCLOAIOWEHP-RVNBFGHRSA-N 437.541 0.715 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492145 BKERQTKEWZLQLU-AUSIDOKSSA-N 435.565 0.482 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnc1 1837559714 CLSCNBXRSDOTGZ-OWNHUBEZSA-N 429.477 0.613 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)COCCO)CCO2 1839191896 JHDRUAJRRPHCKH-NRFANRHFSA-N 436.892 0.157 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839415195 VZZXYLGAUKQMRH-KPZWWZAWSA-N 425.463 0.689 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453877 INEFHEXYSMBGTA-OAQYLSRUSA-N 430.461 0.293 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)C1 1839806264 HVZSGTYTUICWGS-AUSIDOKSSA-N 425.485 0.125 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810861 VVWPMJVETNITOJ-JJEOQYAHSA-N 447.532 0.723 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13CCN(C(=O)OC(C)(C)C)C[C@H]1C3)CCO2 1840002727 FCJOCNMHXKWKQG-VSDWSMLSSA-N 447.532 0.723 30 20 ICED COc1cc(C)c(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043704 PFWJAXBZDCRNKM-JOCHJYFZSA-N 430.457 0.470 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840422548 CFJNVHNQYMYWGN-FGSXEWAUSA-N 431.489 0.344 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1840712690 QFTWZSSGAQQXEU-AOMKIAJQSA-N 438.488 0.826 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)C(=O)O 1840838698 XAJVMKJPWSZSOW-HRAFRWSSSA-N 445.447 0.727 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)c1ccc(O)cc1 1842947987 ZYNUTYZTNFSYMD-HKUYNNGSSA-N 426.517 0.685 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1847806649 KJPLPVOUWJTWMG-TXXWUTRGSA-N 435.521 0.910 30 20 ICED C=CCc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(OC)c1OC 108551811 NTLUZHMMXIVOCJ-UHFFFAOYSA-N 429.473 0.866 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C1 410163658 ZIFLOMQTHTTZKR-ULQDDVLXSA-N 448.615 0.445 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 426008602 BXVKWMUSMFAGRP-UHFFFAOYSA-N 445.324 0.507 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCOC1 441919933 IHZJJELYDJZDIB-INIZCTEOSA-N 439.537 0.910 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCOC[C@@H]2C#N)c(O)nc1=O 464796732 CENRWCKMBDUZSI-HNNXBMFYSA-N 448.524 0.851 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 469107211 TWOUNLCUYIJKHY-ZBFHGGJFSA-N 440.547 0.252 30 20 ICED N#C[C@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCc2ccccc2C1 472272581 DYWLPEZCFZBCQC-QFIPXVFZSA-N 438.509 0.988 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)c1C#N 472880130 IOWQMFZWGNZTEY-UHFFFAOYSA-N 434.464 0.172 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475194684 YVDCPWJZDKSUFM-CQSZACIVSA-N 425.507 0.383 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 476646495 GEMAJENRGNLWEG-UHFFFAOYSA-N 426.470 0.535 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 481156664 SJENQDZNYUQFBM-YOEHRIQHSA-N 444.517 0.753 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCOCC)CC2)cc1 490098960 DSJDRXWEBBWHHV-UHFFFAOYSA-N 438.550 0.612 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 491202032 OSKRNTXKOOJUMK-UHFFFAOYSA-N 441.532 0.584 30 20 ICED CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)o1 497277404 RRTYHVKVLGAPLJ-KRWDZBQOSA-N 428.493 0.908 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)cn1 497821171 RLFSSJPUHKWHMV-UXHICEINSA-N 435.532 0.742 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)C1=O 503832105 SIOJHJACTHMJBU-CQSZACIVSA-N 449.261 0.425 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5ccccc5C#N)CC4)CC3)ncnc21 507302383 GXWOCLQJKWHOLJ-UHFFFAOYSA-N 445.531 0.706 30 20 ICED COCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 508472745 JQHJXMAFPYQNNK-UHFFFAOYSA-N 434.518 0.276 30 20 ICED COc1nc(N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)ncc1Br 509171802 BOQFSTAUYWNCON-LLVKDONJSA-N 433.332 0.848 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 521741107 OLQMGNIEUUDWNO-AWEZNQCLSA-N 446.547 0.574 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 523723674 PHGROOZJKYWRDY-UHFFFAOYSA-N 427.486 0.316 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1C 532845729 OPFASYSSXSPZNO-UHFFFAOYSA-N 427.404 0.453 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OCCN(C)C)c1 535713667 KXOXCHQSSRRZMR-OAHLLOKOSA-N 431.518 0.877 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 538428288 NHZBRGGXCSOWDT-OAHLLOKOSA-N 444.517 0.312 30 20 ICED C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 542876636 FYCOGZSKHTVRNF-LLVKDONJSA-N 441.897 0.846 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 551796784 BJNITMSGAGFMEB-UHFFFAOYSA-N 438.492 0.186 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)cc1 553337264 DEVUQLMFDIYETR-UHFFFAOYSA-N 436.534 0.383 30 20 ICED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562158907 UZVYELCRKQQZSZ-HNNXBMFYSA-N 428.536 0.157 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)CN(C)C)CC2)c1C#N 578211752 FMRDGBYCFNFHLY-LJQANCHMSA-N 437.548 0.538 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 584484291 YETOGOSJNYEVRF-MRXNPFEDSA-N 441.532 0.659 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 588865210 ZSALCHFMFHMWTD-UXHICEINSA-N 439.516 0.493 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)N4CCCCC4)CC3)CC2)o1 603629228 ZMBVXKQXQIFNMC-UHFFFAOYSA-N 429.525 0.727 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603793155 QWIWOFFJTYRIFK-UHFFFAOYSA-N 442.516 0.186 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 604270053 CKDIKKGUOLKAEQ-UHFFFAOYSA-N 428.489 0.263 30 20 ICED N#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 609337867 KDLOESFAQJKQTG-SFHVURJKSA-N 435.550 0.931 30 20 ICED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)c(F)c1 609686701 VYAJGCLGBWNQBV-LJQANCHMSA-N 430.528 0.935 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(=O)N(C)C 619464127 XSKPIECUENZHSD-UHFFFAOYSA-N 448.495 0.965 30 20 ICED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732463232 KYMZZNXTWSTVHC-ORKPOYISSA-N 437.460 0.352 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC)c2)c1=O 732563408 YBEDNGLSDZNLOZ-UHFFFAOYSA-N 441.513 0.575 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 736844455 SJOAFHNENCZPPN-UHFFFAOYSA-N 436.446 0.665 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(Cl)c2F)c1=O 759691865 VALADLAQXXKGDF-UHFFFAOYSA-N 426.882 0.278 30 20 ICED CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 760656869 OTWDGPOYNQPPNE-ZBFHGGJFSA-N 427.548 0.929 30 20 ICED C[C@H]1CC(=NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)NO1 763260546 NWNQZPUCRHBLDE-ZDUSSCGKSA-N 435.506 0.765 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4C(=O)OC[C@H]4C3)nnc12 764135006 NEHJABKEDNKJJC-CYBMUJFWSA-N 440.485 0.985 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCn1cnc2c(N)ncnc21 767628019 OCMVBWJIBRXUOE-LBPRGKRZSA-N 429.462 0.580 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 776593787 ZVFXIHQOBGFYEU-UHFFFAOYSA-N 440.516 0.439 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 779408193 DEJYWVWXBSNDSX-CAPFRKAQSA-N 443.551 0.512 30 20 ICED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)c1ccc(C#N)cc1 780292991 OZTRKZDRRMGTGG-UHFFFAOYSA-N 432.483 0.958 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 787907563 DOHYATOFQBJURY-XLNRJJMWSA-N 449.533 0.519 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)N2CCOCC2)cc1Br 790840290 WAFFNESYBPVFMT-UHFFFAOYSA-N 430.280 0.765 30 20 ICED O=C(NCC#CCNC(=O)[C@H]1CC(c2cccnc2)=NO1)[C@H]1CC(c2cccnc2)=NO1 790869796 IOGMBKOXQOMYAM-WOJBJXKFSA-N 432.440 0.399 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)nc2)cc1 803269152 BRDMNFPWWDICJU-UHFFFAOYSA-N 436.467 0.436 30 20 ICED C#CC[C@]1(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 809608432 RUFKGCMNLJQIMQ-FOIQADDNSA-N 441.550 0.541 30 20 ICED C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813979930 JTHHHCQIKNCJGK-HXPMCKFVSA-N 433.490 0.895 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1CCOC 838232631 IQQAQHPXVGOVHM-UHFFFAOYSA-N 443.481 0.099 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 856409399 PXLSNWAPKBTUJO-YZGUTLMUSA-N 444.492 0.296 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668591 UHJXOQIACRLQEO-LJQANCHMSA-N 436.490 0.018 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 914849869 CWTKUGBDIHWJLJ-UHFFFAOYSA-N 440.485 0.811 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)n(C)c1=O 916884181 ZPGNOGGCPRUGMX-CYBMUJFWSA-N 428.836 0.825 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 918798191 LBQHHYXHCRLZNN-PBFPGSCMSA-N 445.925 0.919 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1166996661 PXZAJXLEJNXIGT-TZMCWYRMSA-N 437.474 0.068 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC 1314388326 IYEZLLVSDDUKOF-UHFFFAOYSA-N 433.538 0.843 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1314992640 MKFGJUJYCKNJPW-SFHVURJKSA-N 449.519 0.953 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1318516205 JSFOGBAZCIJECY-MRCUWXFGSA-N 446.552 0.489 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]2CCCO2)cc1 1321776736 MOUWVMXFWCJKRW-JKSUJKDBSA-N 441.531 0.031 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1596832551 WKMZMSZJUNPXEA-ZBFHGGJFSA-N 426.543 0.633 30 20 ICED CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)S(C)(=O)=O 1615619715 RNPQKFLJJUIMFI-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1641034303 YUFFOFMZQPNXKR-LRDDRELGSA-N 433.827 0.949 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)CC1 1648043790 VBIDCUUSLYWSIP-RTBURBONSA-N 437.541 0.678 30 20 ICED C[C@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1692747892 RWUMIGBGFFNZCB-BZUAXINKSA-N 427.575 0.595 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1692804824 UAVDROWLVQNXAV-QAPCUYQASA-N 447.565 0.727 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)NC 1694326025 UFKGDHOVUVCODQ-UHFFFAOYSA-N 425.559 0.876 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)CCOC1 1710468505 VILHIXAOYGMNFT-ROUUACIJSA-N 426.543 0.609 30 20 ICED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CCO1 1731187631 UXKANTLJQCGTCN-CQSZACIVSA-N 432.506 0.540 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C(=O)NC 1760301289 WRDPAMRSGWQYLY-ONGXEEELSA-N 437.364 0.615 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1779103299 RSUVIDXHOFYVTN-QNZROTIXSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1779107597 UUFNCCSBRSNIQC-RRPYSREYSA-N 442.476 0.930 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1783163433 DQCBOXAWPPOTKX-GSHUGGBRSA-N 437.537 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21 1783529360 KYPMBUZMPLLNIK-IBKBTCHNSA-N 434.443 0.812 30 20 ICED Cc1c(Br)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783567366 YYIIKVARLFBHIV-KRWDZBQOSA-N 439.266 0.023 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1785082358 NMLJUTNCTUVDBD-MWTRTKDXSA-N 436.468 0.682 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1785382055 OXRUJMFHUSCXRT-HXUWFJFHSA-N 442.501 0.677 30 20 ICED 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 1785574394 IVKBRVRVIBMMAR-VVBPWWLESA-N 448.520 0.012 30 20 ICED N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)c1ccccn1 1788601849 RQZWOTSQDMXRSL-GHVIVCLRSA-N 428.537 0.533 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)c1 1789343251 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CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1809600665 UOTAZVSGCVAQLB-UGKGYDQZSA-N 435.532 0.848 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810220764 UJXRSTOHTDZAPV-CRAIPNDOSA-N 425.493 0.245 30 20 ICED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1813173966 FZCHNTOQGZNVFA-OESONBKDSA-N 449.467 0.725 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1813334630 AXOXDLLPIVQUSE-KJXAQDMKSA-N 448.527 0.971 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)/C=C(/C)C(=O)O)[C@H]1c1cccnc1 1814090204 XLWXGTGFFGMVIX-PJNBLYAOSA-N 426.473 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886400 HGPCIZITIAEWQD-NUTKFTJISA-N 438.550 0.279 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)N2CCOCC2)CC3)cc1 1822163952 IQJILULUBAUOQJ-YWZLYKJASA-N 441.513 0.891 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H]4C[C@H](O)CN4)sc3C2)c1 1822613282 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N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC(=O)N(C5CCCC5)C4)CCO3)C2)CC1 1832355362 NXVPTYLTDADIPF-SBUREZEXSA-N 444.532 0.538 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)C1 1832490896 AUFFYSJWCVGXEC-DHJUGAMNSA-N 444.484 0.321 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2ncccn2)CCO3)cc1 1833159814 QYRVHJUGEKNODU-QHCPKHFHSA-N 435.484 0.590 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518881 VSMUDOCXZFQCCW-UHFFFAOYSA-N 431.558 0.654 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834680028 XEKVKNAGJNCHQY-MRXNPFEDSA-N 439.564 0.982 30 20 ICED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834943181 DWLRBZSPGPPBLW-NRFANRHFSA-N 426.477 0.066 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096930 OPSOHHKBRJRQIN-OAQYLSRUSA-N 441.513 0.702 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CC(c5ccccc5)=NO4)C3)C2)CC1 1835338653 PFQHNQBNIQOOSN-AUSIDOKSSA-N 438.484 0.940 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1835439704 OABGRBFYNJWZGF-AOMKIAJQSA-N 428.489 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 1835518044 JOTBJVUJCDLIQL-UHFFFAOYSA-N 438.484 0.454 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835717549 ZTBRXHULMYULQB-SFHVURJKSA-N 431.537 0.528 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1835733002 JAVJDODESXDBRU-PGGWUOJZSA-N 431.581 0.922 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835750781 MXULQYPHIASDNW-IBGZPJMESA-N 446.548 0.365 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1835985535 CFGMPDZPIXIHHB-QFIPXVFZSA-N 434.537 0.792 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393411 KYHKKGLNJZOFCE-HRAATJIYSA-N 429.477 0.390 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1837392352 DIPNTNBSHVKGQH-XXBNENTESA-N 437.581 0.748 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837440191 DTNMDWKUFIWZEC-DHNIJCFSSA-N 446.552 0.199 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837486562 JMYMAMXOBIUGDM-NFBKMPQASA-N 446.500 0.468 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837533703 ZUQCNUVVZGVBBW-SKPKZUESSA-N 449.508 0.328 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n(C)n1 1837564163 AGLYAHMZJWBFJB-YVABFXQFSA-N 443.504 0.765 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CCCC5)C3)C2)c1 1838735971 CTMYNEMWMFDKLM-QFIPXVFZSA-N 438.488 0.872 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839041077 QHXZGOWVCXONAT-QFIPXVFZSA-N 441.488 0.892 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1839288930 OLVSCOWDKUIONT-LJQANCHMSA-N 426.347 0.262 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1839418958 DRAGBOBLRUOOFS-ZHRRBRCNSA-N 444.463 0.294 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629856 RYSPJXUSFDWWKT-QVKFZJNVSA-N 444.492 0.829 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1)C(F)(F)F 1839892663 AGPXOHASBFSQGD-SFHVURJKSA-N 439.394 0.918 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840162017 JJVAZQXNQJWCOQ-RNODOKPDSA-N 434.518 0.667 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[S@](=O)c3ccccc3)C2)C1 1840162925 AOEXUSNVJDRWMB-UCGWRYSDSA-N 440.587 0.957 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486717 UJALKFVFWORGCO-IHMXKHASSA-N 430.505 0.519 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)CCO2 1840772478 VAWMADDPFAXBJT-FQEVSTJZSA-N 440.493 0.875 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938787 OYXCJZBPLSRYJV-XMMPIXPASA-N 425.529 0.980 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846181724 AUCJMHKLIPGQAY-JHRJRVHLSA-N 434.496 0.958 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846644312 PYHQWPUIQUELOK-HUUCEWRRSA-N 433.513 0.907 30 20 ICED CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C#N 10711225 XGFLKELHZQUSHX-UHFFFAOYSA-N 429.458 0.572 30 20 ICED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 25788340 NMFDFJHLYFYLIH-QGZVFWFLSA-N 427.461 0.920 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 26023225 CFJDJXWKOITUFM-CABCVRRESA-N 434.493 0.382 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C1CC1 409585245 DAPCQIXOIBBKGX-BFYDXBDKSA-N 448.615 0.397 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1C(F)(F)F 410144674 XPLHFSYQGNZJMS-UHFFFAOYSA-N 426.442 0.172 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 434936719 HPZBWJGLPJGDNI-SFHVURJKSA-N 429.521 0.457 30 20 ICED CS(=O)(=O)[C@H]1CCCN(c2ccc(C#N)c(N3CCC[C@@H](S(C)(=O)=O)C3)n2)C1 436349397 CKYJDNXLNFJTMA-JKSUJKDBSA-N 426.564 0.980 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 438856434 KCZDTKUQUPLAIV-UHFFFAOYSA-N 430.428 1.215 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)CC2)o1 440483708 DTTFMXRKRIQLMW-OAHLLOKOSA-N 440.464 0.993 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441673429 ZAXNJJIEOILSMG-UHFFFAOYSA-N 439.394 0.711 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@@H]1CCOC1 441937326 RIAHMSMFAPCNSB-KRWDZBQOSA-N 441.553 0.829 30 20 ICED CN(C)C(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCN1C(=O)c1ccc(C#N)c(O)c1 443057276 JOUHDOBJZWJUOO-GOSISDBHSA-N 447.451 0.896 30 20 ICED Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444576051 ZVTXPTVIFZMIHS-QGZVFWFLSA-N 438.488 1.182 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 460653489 FXKBAEAUTCEVKJ-KBXCAEBGSA-N 439.563 0.891 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 464853374 CVVZEHUZHQGVMC-AWEZNQCLSA-N 439.505 0.438 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@@H]2CCCO2)cc1 471298910 WGUIDPMDJCVMMN-SJORKVTESA-N 434.518 0.452 30 20 ICED COc1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(C(=O)O)c1OC 472346211 OCRSBZRJOXMIGO-UHFFFAOYSA-N 449.489 0.827 30 20 ICED C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480471660 YMJGVWZUTXLGAU-ZDUSSCGKSA-N 432.458 0.551 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)c(C#N)cn1CCOC 481444402 FXBGCIPMYIGIOU-UHFFFAOYSA-N 444.496 0.959 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 482808333 CNVNJWXMTGUERX-DUVNUKRYSA-N 428.536 0.059 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Cl)c1 503480391 XCAWKWDHYHWKGJ-UHFFFAOYSA-N 448.954 0.531 30 20 ICED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 506753647 KVXMUCKSLSDQSG-NEPJUHHUSA-N 430.433 0.932 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 507544202 CMPFMXCMPOVKAI-UHFFFAOYSA-N 449.533 0.944 30 20 ICED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508932539 UIYNFRBYZMJZKT-UHFFFAOYSA-N 449.537 0.600 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CCO[C@H](C#N)C3)cc(-c3ccc4c(c3)OCO4)nc21 511147673 VGYCAEAZVVJRAF-GFCCVEGCSA-N 435.396 0.794 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1 531409113 HUGRVWSHJAZTDA-GOSISDBHSA-N 436.424 0.888 30 20 ICED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C#N)c1C 532666234 PDOIEXCKYXADLI-UHFFFAOYSA-N 435.462 0.405 30 20 ICED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 554786838 ZRYVSXIOCJXRPF-LJQANCHMSA-N 427.442 0.293 30 20 ICED C=C(C)Cn1c(-c2cccn2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 558984841 HINBNSBNVFZPQS-UHFFFAOYSA-N 425.497 0.326 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)c2)C1=O 560057448 GLWUOUPCESSVSI-LPHOPBHVSA-N 433.490 0.470 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1OC 562157035 MCSCUAXRYHLUBZ-NRFANRHFSA-N 429.477 1.401 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCO[C@@H]2C)O1 564065726 BPPKLYNTYDLBLP-ZYFHCTRVSA-N 440.500 0.965 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2=O)n1 577436852 ZBVIBUNQPAPDCZ-KRWDZBQOSA-N 435.488 0.252 30 20 ICED CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 580672856 SCBOTSWUYVEZHZ-HXUWFJFHSA-N 441.532 0.345 30 20 ICED CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 583886376 KNNUMJPJXYCPHK-UHFFFAOYSA-N 436.516 0.859 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O 589161821 XSYUGFDTVMNDEM-UHFFFAOYSA-N 439.584 0.639 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)c1 603795530 HVCHWWTUPWRGJN-UHFFFAOYSA-N 427.526 0.936 30 20 ICED CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 604484556 XLZPMCUIUCFOOD-MRXNPFEDSA-N 444.517 0.308 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 610209569 LSYUHMYADOPVHF-UHFFFAOYSA-N 448.526 0.990 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C1CCN(C)CC1 619695666 FAGSLBPEGBDADE-UHFFFAOYSA-N 430.505 0.573 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 728532805 KWFUYEPMMYQNLQ-UHFFFAOYSA-N 441.557 0.621 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 729281838 PSLZFIJNSCJEOW-UHFFFAOYSA-N 440.953 0.292 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)c(C#N)c2N)cc1 730526591 HRLOBHNBBIAJLV-UHFFFAOYSA-N 431.460 0.768 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cocn2)C1=O 730724272 LNMRZEOSEQYUAQ-SHUBJWRZSA-N 437.503 0.458 30 20 ICED COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 732153582 JDRBSQSYSPFULH-BSBNDGSWSA-N 442.472 0.951 30 20 ICED NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 732563235 KKAXNIJEXFVETH-CYBMUJFWSA-N 427.486 0.219 30 20 ICED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCS(=O)(=O)CC1 732910106 MGLFJFBYFGQXQM-INIZCTEOSA-N 433.486 0.696 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)cc1 750735303 LQDGNTICULAWNU-UHFFFAOYSA-N 433.530 0.699 30 20 ICED COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C(N)=O)cc1OC 765332058 VNRCWUYCEASXPI-NSHDSACASA-N 432.458 0.980 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 766649033 MFZXRMHJVZCAIP-UHFFFAOYSA-N 445.501 0.212 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cnc(C3CCCC3)s2)c1=O 767889667 CPECIAQPRKKRRF-UHFFFAOYSA-N 449.583 0.600 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2nn(CC)c3ccccc23)c1=O 769885724 MRZLBBRGRIHDOH-HNNXBMFYSA-N 449.536 0.567 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCN(Cc3ccccc3Cl)CC2)c(=O)n(C)c1=O 771893318 YZENNBUPAGGIQV-UHFFFAOYSA-N 439.925 0.668 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCCC(=O)OC)c2=O)cn1 772281973 QHNNWPLWVLMUEA-UHFFFAOYSA-N 441.513 0.285 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 785660680 LGYCBLAQEZFYPI-JKSUJKDBSA-N 432.502 0.449 30 20 ICED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790837128 ZKCVAAPSNSCSGS-GFCCVEGCSA-N 431.448 0.931 30 20 ICED C#CCNc1nc(N[C@H]2CCc3nc(C)nn3C2)nc(N[C@@H]2CCc3nc(C)nn3C2)n1 804424819 OLAJXGYWEPXEFX-GASCZTMLSA-N 434.512 0.570 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810400487 HOTZPMQWFRWVBZ-ZDUSSCGKSA-N 431.478 0.335 30 20 ICED C=CCCCS(=O)(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 813687784 KUZLGYPBMCZLBA-UHFFFAOYSA-N 440.565 0.677 30 20 ICED COc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821735971 MYNCGIDTRRXDLV-UHFFFAOYSA-N 433.442 0.924 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 838167094 URJKONXTWFTNJE-CYBMUJFWSA-N 446.485 0.119 30 20 ICED C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916533257 LYVNQFZFNKOLAG-UHFFFAOYSA-N 425.507 0.635 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)CCO1 1316541009 QMQKIRBDWOEWLS-QGZVFWFLSA-N 429.525 0.968 30 20 ICED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1615090133 MMDAZWDRWRWQMR-CQSZACIVSA-N 433.538 0.875 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1617314213 QVWGVBHDZMRWDY-INIZCTEOSA-N 437.547 0.875 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CCO1 1696964859 QUONTVNFZPFSDL-GOSISDBHSA-N 427.509 0.346 30 20 ICED CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1711521101 JWXNCIDLEAUYOR-QGZVFWFLSA-N 441.536 0.974 30 20 ICED CN(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1747603511 YUQXRPYCQGEKLD-UHFFFAOYSA-N 446.537 0.947 30 20 ICED CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1747767755 QGTYWUZZYXQZJZ-HXUWFJFHSA-N 441.517 0.736 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766947029 TZQUSCULESAIEI-GOSISDBHSA-N 444.565 0.332 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1781398858 XKCMCAUIEZOHMF-VGSWGCGISA-N 446.552 0.963 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1782763773 BXVDZGJXYQLPJZ-QVKFZJNVSA-N 426.452 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783339328 LETLRMDJCHJFIZ-WMZHIEFXSA-N 430.501 0.929 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21 1783529413 MSUVAKIABHLCQP-VWSVXHOWSA-N 433.549 0.623 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568135 NPTJLGXLBWXUIP-KBJGYGKASA-N 447.488 0.374 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccc(OC)cc3)C[C@@H]21 1784475161 VYBKFLYDONHFES-MFZGXCKPSA-N 430.501 0.747 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224149 XQCQLLYWJTYFSR-LHSJRXKWSA-N 429.498 0.878 30 20 ICED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785583110 JXKFQWBUSQSXLP-QVKFZJNVSA-N 437.493 0.598 30 20 ICED O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)NCc1ccco1 1788717931 HWDNUZUARBXXLD-MKTSTNRYSA-N 425.485 0.845 30 20 ICED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1790865163 PXIIETAMJJGRJD-ZEWNOJEFSA-N 426.517 0.995 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21)n1cnnn1 1791685190 LFDSAUUFVQCMSW-TTYHFUOFSA-N 437.504 0.718 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)CC1 1795527234 IQPQAVSIWDAYSY-SCAQPMJSSA-N 435.525 0.076 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)c(C(F)(F)F)n1 1795996995 JWPUGYYCCKDECM-CULMDFNYSA-N 439.394 0.441 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289113 ZRAWQOBLWMMLJD-HGTKMLMNSA-N 430.465 0.439 30 20 ICED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797782734 MOTZQIHZOGGTIP-RMFSNUHRSA-N 444.532 0.431 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797808995 WJHXIEQMGDTDOQ-PZDQEJHOSA-N 433.509 0.638 30 20 ICED O=C(O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)ncn1 1798491644 ANSCMKDOHPJXIO-XYLRTUKUSA-N 431.449 0.956 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1N1CCCCC1)C2 1800779494 LQLHZODXUKJEAW-FAQVEIGNSA-N 425.485 0.968 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804169808 BPCAAPMNZOQQRM-HNAYVOBHSA-N 431.518 0.558 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807354595 JQNKRFOSSPWJCR-IDHHARJASA-N 449.471 0.171 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807944171 NQVZCCYMUTURDS-CZUORRHYSA-N 435.448 0.077 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810292599 ZXOXAVQHOVJAMT-WYDQIGHKSA-N 425.493 0.435 30 20 ICED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)CC1 1811536061 BCLVYBAUSOUTDL-UGKGYDQZSA-N 435.532 0.848 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812643804 TXQPXZDSQCZXBA-FUHIMQAGSA-N 428.489 0.733 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCNC(C)=O)[C@H]1c1cccnc1 1812654719 MBRYDOUFTDNVQH-NOABYQSRSA-N 427.505 0.472 30 20 ICED Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)c(=O)nc1O 1817114147 QFYQZWXDGGHHKU-CQSZACIVSA-N 425.449 0.977 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1CC1)CC2 1819851837 OGLRYERSGBMZJV-HOCLYGCPSA-N 433.486 0.963 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(S(C)(=O)=O)cn4)C3)C2)C1 1829665239 XMPULFSPYPAWJS-OAQYLSRUSA-N 449.529 0.521 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831207526 PVQBXXUIOSLLIC-QHCPKHFHSA-N 428.485 0.813 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1831392450 MCKKFSYHNRKYLZ-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC(C)C)nn3C)C2)C1 1831394270 ZULXIIGOKOPYIZ-MBSDFSHPSA-N 446.548 0.727 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1831424156 DOCKUZVBRPGSLO-UTSGNWPNSA-N 443.544 0.748 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831834713 ZWZHNCODLVINJK-PBPYGMEZSA-N 446.504 0.989 30 20 ICED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccco1 1832664295 PDADSFCWFOLCDJ-FAKCTINISA-N 449.460 0.448 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833040704 VAMUUPISYSCAOT-WIYYLYMNSA-N 435.525 0.757 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1833315601 WEYQVYRMLJVRGD-QHCPKHFHSA-N 449.467 0.436 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)s1 1833800379 QJYYZFKNCLUIJD-HXUWFJFHSA-N 435.550 0.803 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833814019 URWLYNKYAKZLCR-UQQIOGDDSA-N 430.509 0.327 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985417 GIVMAJXHYAMTPN-NGPKUFNOSA-N 432.477 0.681 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834569701 ORNAPXQKRBJDQL-QGZVFWFLSA-N 429.583 0.176 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1834716702 OBOYVMNMBNFELD-UHFFFAOYSA-N 443.552 0.237 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1834765863 WRZYXODKBTXXLX-IBGZPJMESA-N 428.405 0.455 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(C)=O)CCO3)C2)c(C#N)c1 1834871997 SGPFIEARUHXKJP-HSZRJFAPSA-N 443.500 0.935 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675292 MJTWRUOKMRCABR-GCJKJVERSA-N 435.569 0.209 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1835682696 REJUUYYZJMQSSV-LHUKNYEISA-N 434.562 0.600 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1835717695 GFWCSEPDFRHXIX-QGZVFWFLSA-N 441.594 0.949 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc(Cl)cn4)CCO3)C2)c1 1835974565 ILQVLVJGUFJPRH-IBGZPJMESA-N 432.868 0.506 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147792 UHUOTOQSBNSGEC-HJPURHCSSA-N 441.484 0.038 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837213740 PDVGOYKAVJRJFA-AZUAARDMSA-N 428.551 0.950 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837375146 HVPZETQKRNPWHS-DNVCBOLYSA-N 428.555 0.070 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837488574 LDLAQYDSITXKLN-QHCPKHFHSA-N 442.516 0.174 30 20 ICED Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525464 WTSYHZISTRGENI-CHKZVEJASA-N 436.465 0.582 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837563213 URBFBNHTIAWQKP-FFCJBUTOSA-N 429.477 0.754 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2)C(F)(F)F 1837949135 KMKFSYQSIDHPHA-QGZVFWFLSA-N 444.366 0.363 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)c1 1838580865 VAZFYAQZWSMIEO-OAQYLSRUSA-N 440.460 0.079 30 20 ICED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n1 1838906173 VMSIKYKWFWDKLU-OAQYLSRUSA-N 425.445 0.562 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839225176 AIUKFHRVUDPQPX-JXFKEZNVSA-N 440.497 0.086 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3-c3ccccc3)C2)C1 1840043190 JEYDSEGMWBHLKV-DEOSSOPVSA-N 449.463 0.907 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CC2(O)CCC2)CCO3)cc1 1840591404 BLGUDGTZCGLBFJ-HSZRJFAPSA-N 427.501 0.862 30 20 ICED COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)CC#N)C1)C(C)C 1842623160 MEZIFMUBMVRORQ-RDJZCZTQSA-N 433.509 0.475 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1845189040 LMPQFORUSXTSOA-OAHLLOKOSA-N 425.482 0.542 30 20 ICED CN(C)CCN1C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 303595171 WFZZBXZEKLGGHC-OAHLLOKOSA-N 426.477 0.865 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](N(C)S(=O)(=O)N(CC)CCC#N)CC1 409492737 RMQWCJLRWUPNKI-KRWDZBQOSA-N 448.615 0.733 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 428798509 UGMOZYWHHWEMJF-MRXNPFEDSA-N 425.555 0.917 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc2c(c1)OCO2 440385897 YHZODNXOUMIYSC-UHFFFAOYSA-N 446.444 0.874 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 441923415 NUQLGRZWMTXITR-CYBMUJFWSA-N 428.539 0.907 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCOC2)c1=O 441965207 XAWHQRYIHXHSKW-AWEZNQCLSA-N 425.510 0.737 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460394004 LIPGDLSTXCOXPR-LSDHHAIUSA-N 445.553 0.841 30 20 ICED CCc1nsc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 464970639 DQMIJFSZPQDLDA-UHFFFAOYSA-N 434.547 0.941 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 465417026 MEERAOLCSBYUQF-CYBMUJFWSA-N 428.474 0.428 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471074205 KKWJECPUCNPXFN-KRWDZBQOSA-N 428.445 0.608 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3CCN(c4ncccn4)CC3)C2=O)cc1 487101669 HCXFCBOXLYQTDH-FQEVSTJZSA-N 448.531 0.571 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 490307537 PEKQJPRZPAKGFZ-UHFFFAOYSA-N 432.487 0.907 30 20 ICED COc1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 490975273 UVQIYDLUSCFQFR-OAHLLOKOSA-N 431.474 0.972 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](O)COc3ccc(F)cc3)n2)cc1 492898692 ZJLQTXFAKQZSNB-QGZVFWFLSA-N 438.419 0.832 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 497901735 WONUEPHRIQETPV-UHFFFAOYSA-N 433.419 0.666 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCCSC)c1=O 512776869 VKRDYNFWFSBENE-AWEZNQCLSA-N 449.602 0.533 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NCC#N 519456026 ZIUMHEQUNYBRJQ-UHFFFAOYSA-N 426.454 0.823 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC(N)=O 546076118 IDJHORYSJRHOTC-LLVKDONJSA-N 443.481 0.251 30 20 ICED COCCn1nnc2c1CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 549797632 MEVIQXJZHSAPLI-GOSISDBHSA-N 429.550 0.753 30 20 ICED CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 550481810 KAQSWHQOBIGHTD-UHFFFAOYSA-N 437.504 0.315 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 550942743 OGJSETFAJSETSG-UHFFFAOYSA-N 429.521 0.466 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 557635926 GANIXNOGKHPNKC-HXUWFJFHSA-N 441.576 0.767 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccccc1 559152939 SZDHBDOICJZKTH-UHFFFAOYSA-N 449.536 0.937 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)c1C#N 573413890 FPDHCIFLJMPNEP-UHFFFAOYSA-N 430.538 0.940 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 584323358 LCHOHSTYEJCSLW-UHFFFAOYSA-N 440.489 0.648 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCN(CC#N)CC2)o1 609328174 DUYKZCZBCZGSIQ-HNNXBMFYSA-N 438.506 0.714 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCO2 609765312 QXSQZYARNGSSJD-UHFFFAOYSA-N 432.461 0.804 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCO2 609765450 XBMCCPXXXMQKRO-UHFFFAOYSA-N 432.461 0.828 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 612201578 DJMJNVDAFFITSL-UHFFFAOYSA-N 428.474 0.149 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 615184027 OCKLSBKCTKBYNP-UHFFFAOYSA-N 441.517 0.790 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727160696 IIEVFSNMWYRSGM-UHFFFAOYSA-N 444.516 0.867 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 728209948 BWIKQBWUWWGMJI-KRWDZBQOSA-N 435.550 0.415 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCc3nc(C)no3)cc2)CC1 734073555 KXDNFTXSMRAIFF-UHFFFAOYSA-N 425.445 0.884 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)[C@H](C)O)cc1C 734562258 QFGJPUBDQCQBGV-JVPBZIDWSA-N 445.497 0.973 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 744862930 NVJPKRLADPSYRD-CIZGOSNJSA-N 442.472 0.733 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745388479 VSLJPQVUSOGLPT-QVKFZJNVSA-N 428.445 0.514 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc(OC)c1OC 749870252 KFKCWQGDDPQZRN-CYBMUJFWSA-N 427.482 0.999 30 20 ICED CCCNC(=O)CN(C)C(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 750356965 BUVSVYMGJGRSSJ-CYBMUJFWSA-N 438.506 0.032 30 20 ICED CCNS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 752969916 VQEPKTULYPTJBR-UHFFFAOYSA-N 433.538 0.806 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762977431 DUUHCRRSSLYHPJ-ZDUSSCGKSA-N 428.470 0.189 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CC1 774292738 VFNZFTDSGWIPIE-SSEXGKCCSA-N 446.451 0.699 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)CC1 781477002 RDPONUGDSQQUBG-UHFFFAOYSA-N 431.445 0.417 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 786071167 QHTJEKDEJQMBEP-UHFFFAOYSA-N 447.429 0.484 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cccc(I)c2)c(=O)n(C)c1=O 789036430 BFPWOEQXVXETMH-UHFFFAOYSA-N 448.242 0.001 30 20 ICED CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC(C)C 789928534 FSAFBMKFZMSPPH-QGZVFWFLSA-N 430.509 0.879 30 20 ICED CCOC(=O)CON=C(C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)c1cc[nH]n1 789985615 ADBOCZANNSWWHS-UHFFFAOYSA-N 433.387 0.611 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)o1 791173425 SGHVXWRWSUMCLQ-UHFFFAOYSA-N 429.252 0.984 30 20 ICED C=CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800778990 JZMBMKKPLDXOLT-HUUCEWRRSA-N 431.584 0.617 30 20 ICED CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(C)(C)C#N 805365600 UXEHSDBLONGPPZ-UHFFFAOYSA-N 436.490 0.395 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)ccc1F 807926418 PFURSVMTWYWWOX-UHFFFAOYSA-N 439.469 0.306 30 20 ICED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 820059798 MXFNXPGNIRLPRV-QGZVFWFLSA-N 435.546 0.812 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 918480153 GTDOJISXVPLDRY-QGZVFWFLSA-N 425.445 0.952 30 20 ICED CN(CCNS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1251837030 QQZUELZMFNJJFM-CYVLTUHYSA-N 431.540 0.512 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1299241544 QMGSQFFBWNFEEH-INIZCTEOSA-N 445.549 0.718 30 20 ICED CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1316355606 LRZICYIPQFPHHC-UHFFFAOYSA-N 441.521 0.626 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1360714171 NKSXWFRSXPJTLE-HRCADAONSA-N 439.586 0.737 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1454633392 QQXQGLOAMONGMJ-UHFFFAOYSA-N 433.513 0.999 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1541804401 VODJAINVIAGUMX-WMLDXEAASA-N 425.493 0.784 30 20 ICED COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1619648684 KZEYWBQRIWVUBL-CVEARBPZSA-N 439.538 0.352 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1712455276 ZXUUXXGXIHXBGK-LBPRGKRZSA-N 440.448 0.540 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1741989781 UMDYAVGYNAOQIL-IBGZPJMESA-N 436.538 0.080 30 20 ICED Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1742655513 YORMTHHOUNTYFF-QGZVFWFLSA-N 425.541 0.992 30 20 ICED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1765879608 JIPRMIJAEDVNJH-FUHWJXTLSA-N 427.502 0.949 30 20 ICED Cn1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1769026315 UUJHLUPXVLSBJV-UHFFFAOYSA-N 426.506 0.680 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1778088284 HKUKIJNSGPLFJH-WIYYLYMNSA-N 437.562 0.339 30 20 ICED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778318070 YGQRIYPFKLUWCA-OAQYLSRUSA-N 435.477 0.161 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778860960 ZLLSSFRBTHQJMP-SMLXTKOASA-N 434.537 0.686 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778955064 RIUWIFNEUDKTCX-VGSWGCGISA-N 434.537 0.223 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780187527 DXTLXQIYNCTSRQ-HXUWFJFHSA-N 433.896 0.926 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389530 NDJVFUXVNNJSHR-ZYGRGVRPSA-N 438.510 0.256 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1784747465 YSHVRLOZBIBCER-HXUWFJFHSA-N 437.493 0.504 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376178 LARPAVXWGAUGPL-OPAMFIHVSA-N 428.489 0.682 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1785421096 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COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)c1 1798734344 UYBSFIADEXQTAG-CCWDJLKJSA-N 426.429 0.564 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1 1799749149 NQWYEPSVRMHMCB-LTCOOKNTSA-N 435.477 0.478 30 20 ICED Cc1cc(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 1799800492 TYRDAVMUSQJLCJ-HLRQEUIKSA-N 439.560 0.706 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1ccnn1 1800268799 BOIOTMUBFSSNHB-NYYTWLDWSA-N 426.452 0.682 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1806770618 YLRRGOXFVTWXDS-QMUOXOFHSA-N 432.502 0.844 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)C/N=C/c4ccco4)CC3)C2)N1 1806848664 JUXLOSCTSYZZFW-LTNVFZTJSA-N 429.477 0.528 30 20 ICED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1810357296 HOKYTQLSNJNBSN-OEDWJVGWSA-N 431.493 0.753 30 20 ICED Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc2nccn12 1812171462 XHVKANRMUHWGJQ-UZLBHIALSA-N 432.440 0.840 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819391404 JUYZOHHVUKSEJJ-XHADFYDMSA-N 444.496 0.425 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819425687 UFCZEHHHBMNXGF-INIZCTEOSA-N 426.481 0.787 30 20 ICED C=CCO[C@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828585120 PMLVKMOGAQQWFR-WZONZLPQSA-N 444.532 0.988 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829789738 BCSJKWMZPXLBPL-QEVIJRNUSA-N 446.529 0.299 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830061683 RYIXLZVECLEWLP-JOCHJYFZSA-N 444.488 0.970 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831388354 XNFUSNKXCRHOKS-KSFYIVLOSA-N 444.488 0.148 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC(C)C)nn3C)C2)C1 1831394266 ZULXIIGOKOPYIZ-FDDCHVKYSA-N 446.548 0.727 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1831435338 PUQFDXPCMDVJTB-KSFYIVLOSA-N 432.521 0.570 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831495723 JKLXKTCPFKHIMN-UYAOXDASSA-N 438.550 0.526 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)C1 1832197906 COGYNWAADSZBDR-QFIPXVFZSA-N 425.489 0.854 30 20 ICED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833106451 UOYPANJTTWFXLX-UHFFFAOYSA-N 425.533 0.761 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390114 MXPLJSRMUQVNRE-IBGZPJMESA-N 440.447 0.668 30 20 ICED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834414149 RVEOWUOWNVFLFJ-VSIOZEBNSA-N 432.525 0.445 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835096951 PLWWYJVJTLTUTC-DEOSSOPVSA-N 425.529 0.836 30 20 ICED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835271161 DUKOQBFMAKFTEJ-JOCHJYFZSA-N 431.489 0.554 30 20 ICED Cn1c(=O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nc2ccccc21 1835356933 CFJZNMPNDPKOLO-JOCHJYFZSA-N 439.472 0.307 30 20 ICED Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n1 1835675260 KZXLPPUCWRDFMM-QHCPKHFHSA-N 443.548 0.671 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835677277 DZQWGWWATBUXQZ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CSC(=N)N)CC2)CC1 1835713366 VFNVPDVUKKPFMH-INIZCTEOSA-N 425.599 0.758 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763786 JLEFHIUYFIFFAC-XUZZJYLKSA-N 448.608 0.977 30 20 ICED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1835796041 TUYHHCORDDYOAS-VZBSEDMKSA-N 436.538 0.267 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1835881277 PBLAGLJMAKSEBV-ADLMAVQZSA-N 437.547 0.662 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836468645 LCUKFNFZWQZIGH-NRFANRHFSA-N 449.529 0.842 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440961 JIKGLUGDNMANDF-YQNSVDCASA-N 429.521 0.932 30 20 ICED COCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524449 BJJNYIGRQWDBJL-LFQSBUTJSA-N 427.498 0.398 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837526984 HONFNXJZGPXWIP-NIBLFHJUSA-N 437.415 0.924 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837563767 ZMBSOCCHNXSZOG-ZJHLSYPMSA-N 444.492 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837840622 SCMBFBZNKYNITH-QEVIJRNUSA-N 432.452 0.149 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)[S@](=O)c1ccccc1 1839672416 JUNXCGFJYYRMGE-CJHUWTACSA-N 433.530 0.943 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1)C(F)(F)F 1839892883 IZXUNAQWXHSOEP-GOSISDBHSA-N 439.394 0.918 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840038184 MKVHCGCJVHXUJM-BJNINDPKSA-N 445.541 0.671 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1840040989 JWCDLMZGLMNVBH-GOSISDBHSA-N 425.800 0.032 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840345520 SWTMVHHBXFWJOK-KNQAVFIVSA-N 432.521 0.385 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(NC(C)=O)c3)CCO2)C1 1840728719 UADJDRVCGCNGOJ-GAJHUEQPSA-N 443.500 0.753 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841601934 JQNFWRZYYPNAHM-BRWVUGGUSA-N 435.521 0.456 30 20 ICED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)NC(=O)OC(C)(C)C 1846933574 IIGQXAYLLLPWNL-INIZCTEOSA-N 448.568 0.889 30 20 ICED COCCN1C(=O)/C(=C(/Nc2sccc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 9768767 LVTXUILORWXMEQ-OYVNLZQHSA-N 426.451 0.687 30 20 ICED N/C(=N/Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)NCCCN1CCOCC1 303873258 GRLBGKXUDUIPHX-GOSISDBHSA-N 439.582 0.271 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)C1=O 440240642 LSLDGDIMQGTFSX-HXUWFJFHSA-N 441.532 0.535 30 20 ICED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 440251972 DAVBWGROCDNCHY-UKRRQHHQSA-N 443.547 0.561 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)CC2)cc1 444405717 STERINMHQGFWBW-IBGZPJMESA-N 446.533 0.551 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)n1 444506092 MFNQDQLLJMRIJG-UHFFFAOYSA-N 444.517 1.226 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N 461199353 TWODBRFFRZSZFD-UONOGXRCSA-N 437.547 0.007 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2)c1 470996957 TUZDFMRYBFNEBZ-PMACEKPBSA-N 449.463 0.961 30 20 ICED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 471045211 RCZPTQUIUISZDV-UHFFFAOYSA-N 448.483 0.887 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487521863 WODQQYMNHFKWKQ-ROUUACIJSA-N 433.534 0.771 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 491076899 FFWCDDFOTZBXBE-UHFFFAOYSA-N 431.537 0.320 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](C#N)c2cccc(Br)c2)n(C)c1=O 496291574 PCKVYLSVJSNJGF-LBPRGKRZSA-N 431.250 0.577 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(-c3ccc(Br)o3)o2)c1=O 511397318 LDCOWYHFNHVRRY-UHFFFAOYSA-N 436.222 0.998 30 20 ICED N#C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@]12C(=O)Nc1ccccc12 513980665 XTMPOPPVZNBNMF-SBUREZEXSA-N 431.500 0.861 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 515017571 DJMLXKZVJRWFFO-CQSZACIVSA-N 442.563 0.403 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](N4CCNC4=O)C3)CC2)cc1 521625623 JFGLGQHCLXDIKA-SFHVURJKSA-N 445.545 0.975 30 20 ICED COC(=O)COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)c1 527090208 TVLCCIBFQZDVJX-UHFFFAOYSA-N 428.449 0.754 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(N)=O)c1=O 530318055 XSGCLFFJLFPLDO-UHFFFAOYSA-N 427.530 0.825 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 547961822 IEFHGXOCJWYXCU-NSHDSACASA-N 435.864 0.296 30 20 ICED CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2CCCOC)c1=O 549943486 BWRAJPVJYYTFQJ-UHFFFAOYSA-N 429.546 0.725 30 20 ICED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 559060267 FIGUHIDQDXAZSQ-AWEZNQCLSA-N 446.533 1.322 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 564135893 YXWBHJCVFJKLGQ-CAMMJAKZSA-N 447.495 0.389 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)s1 569671894 QQUZQRUVCTUBRP-UHFFFAOYSA-N 427.483 0.957 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)N(C)Cc1nnc2n1CCC2 582636781 WKSVXGORIFVHDV-GOSISDBHSA-N 441.467 0.973 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 589427152 SFPWJDVBGMJHAQ-UHFFFAOYSA-N 440.460 0.978 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 590215639 LPKQJVLPBYIQLE-UHFFFAOYSA-N 427.421 0.231 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 604068752 VRRDSVNHWIPZHR-CEXWTWQISA-N 430.530 0.431 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 604270192 SDMDJUOFYYPHAM-UHFFFAOYSA-N 430.555 0.493 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1 604563168 RSTLBYLAXXRUBC-UHFFFAOYSA-N 443.529 0.880 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609881133 XERNKQQCHUJFBB-GOSISDBHSA-N 448.545 0.427 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCCn3ncc(C#N)c3N)c2)C[C@@H](C)O1 729806875 OPQZKVPXGJEPOK-OKILXGFUSA-N 433.490 0.992 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 741735868 FFSPBLXFQPVFQQ-UHFFFAOYSA-N 448.505 0.103 30 20 ICED CCOC(=O)c1cnn(CCOC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1N 744110548 MDTKHMWIHASPMK-GFCCVEGCSA-N 449.489 0.703 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)n(-c2ccc(F)cc2)c1C 745470163 ZWWMWQLKLPVZJG-UHFFFAOYSA-N 439.407 0.977 30 20 ICED CCc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754529267 VZUAHNCEGPJHHB-UHFFFAOYSA-N 441.469 0.326 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 758075486 IIEQQUCAZZPSEZ-ZDUSSCGKSA-N 445.928 0.859 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758078974 UOCJZZOXCRDUGX-UHFFFAOYSA-N 447.520 0.053 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CC1 763387878 NRCVKHHBCNTXPJ-UHFFFAOYSA-N 436.509 0.117 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 770176245 ANAACJBGFFVEOE-QGZVFWFLSA-N 426.454 0.601 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCc2nc(N)c3c4c(sc3n2)CCCC4)CC1 772284911 ZOBFULULORUJEM-UHFFFAOYSA-N 434.591 0.780 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CC(F)(F)F)C1=O 773092197 DFJBPSKEIIISAP-GFCCVEGCSA-N 432.424 0.785 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@H]1CCCO1 773787792 BMHBXBWFUKBTFH-VQTJNVASSA-N 441.532 0.132 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774543002 NBYQKSAZRIREQT-UHFFFAOYSA-N 434.521 0.480 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 783346759 HLMCDGJAEOHZPU-UHFFFAOYSA-N 432.502 0.727 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 787775133 APYCAVXMRSVEML-HOTGVXAUSA-N 429.502 0.894 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc2)C[C@H](C)O1 793194709 VXNBWWAXOQZOTC-KBPBESRZSA-N 441.531 0.848 30 20 ICED C#CCN(CC#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 798797130 JUXWDLGXXRFFJL-UHFFFAOYSA-N 434.456 0.040 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2F)c1=O 799939388 IEEQNTQIFXEVFU-UHFFFAOYSA-N 429.473 0.346 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 804402342 SRYCECYCSMXRBE-UHFFFAOYSA-N 428.493 0.774 30 20 ICED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 806913455 WVICIWSSSKKNKV-UHFFFAOYSA-N 439.490 0.046 30 20 ICED C=C[C@@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 814541741 SRMCVPDFLPNWJM-MRXNPFEDSA-N 442.490 0.523 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O 816753288 DXBZVYUIVHGPEJ-HUUCEWRRSA-N 427.479 0.213 30 20 ICED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 816757736 ZYPBXXKIXRLLAJ-JSGCOSHPSA-N 431.898 0.907 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)C1 916620631 RHZIHJRSPHXAMZ-HNNXBMFYSA-N 437.474 0.181 30 20 ICED Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3ccc(C#N)cn3)CC2)c1=S 1115878834 MGYPBUNECLHJPM-HNNXBMFYSA-N 433.563 0.900 30 20 ICED N#Cc1cn(CC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)c(=O)nc1O 1142562091 XNDOISBGZGCARV-UHFFFAOYSA-N 430.222 0.862 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1165824959 ZKJQVFQZSFDRPE-NRFANRHFSA-N 427.461 0.931 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1 1317792696 FWMHMIPGNGXZAZ-INIZCTEOSA-N 436.490 0.687 30 20 ICED C#CCN(CC1CC1)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1335586674 BIFPXFHULCJHNB-UHFFFAOYSA-N 449.511 0.926 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1554125008 JQPFJHJLJQEZSW-UHFFFAOYSA-N 447.446 0.493 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)c1 1614781461 XPDCUXSXSBOKQU-UHFFFAOYSA-N 433.490 0.396 30 20 ICED C[C@H](CC(=O)NC1CCN([C@H]2CCOC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1623676733 IDAWEWFVILVRPA-CJNGLKHVSA-N 434.518 0.400 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1695930197 HCZMYTHSGGAMKR-UHFFFAOYSA-N 433.520 0.857 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696505340 BMDRTWJYSSATLY-GOSISDBHSA-N 444.565 0.380 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1696513844 QBEFBVTUJMQSBE-PMERELPUSA-N 430.534 0.880 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1696876554 PHCPTPBEDAPBGO-NRFANRHFSA-N 444.561 0.897 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1729558608 LREGTOTURZXRAF-IBGZPJMESA-N 435.506 0.361 30 20 ICED C[S@](=O)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1731022951 KZBXLQBOUYLWNR-GZKOVBJLSA-N 428.518 0.885 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1749251711 IHKUQZXCMIDDNU-CYBMUJFWSA-N 428.950 0.701 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)CCOC1 1767485813 XTYQRMXQUODSJR-VQIMIIECSA-N 439.538 0.484 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065553 XAUYRCOLYHMJJC-QFIPXVFZSA-N 442.472 0.317 30 20 ICED Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)n1 1779422790 OMRIADVXJVVSTB-ZRLKZUIBSA-N 449.508 0.963 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccc(C#N)cc3)C2)CC1 1780410055 DIQNHPXTTLQRKS-ZJSXRUAMSA-N 439.560 0.933 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780596974 IGLJMQIOFBPSRA-SIKLNZKXSA-N 443.456 0.497 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1781270572 PLJACLZSEKFDEX-QFIPXVFZSA-N 446.504 0.878 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1781391073 NULJQCLRKPFRTD-NHYWBVRUSA-N 441.378 0.972 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1782010790 XRKYSJVPAILSSC-OPAMFIHVSA-N 440.456 0.182 30 20 ICED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C2)C1 1783785381 JUTNKASQGWHLOK-QVKFZJNVSA-N 439.509 0.849 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)c1ccc(O)cc1 1784009852 OGUHDOQJKSARTE-AVRDEDQJSA-N 448.541 0.764 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(O)C(F)(F)F)[C@H]2C1 1784871654 IEUGUWUUBDNXGU-MMJAXOPBSA-N 433.427 0.138 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559320 YBXMWDMWKJDDTF-LEAZDLGRSA-N 447.557 0.346 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790584580 MBLSJJIHRWRDHB-STEXWYFWSA-N 444.532 0.771 30 20 ICED C#CC(=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 1790792716 ZZCYVSBJPPYBLK-ATIWLJMLSA-N 435.521 0.217 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)c1 1792833944 TVSRXMPMIAXCKH-RCLSDMTESA-N 445.541 0.658 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1793369829 QDZZLHUSUPUYPM-DQEVTTJGSA-N 433.530 0.637 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 1795961856 DKJSITDLSQYDGA-QKPAOTATSA-N 434.541 0.414 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N2CCCC2)ccn1 1796580602 JYLSNOHYJRIWCL-UGNRZPKXSA-N 426.517 0.923 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797984250 KCRSORIXNAWXJE-SCAQPMJSSA-N 444.536 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-] 1798537647 UAGCSCKHOJLVPT-MFCZKXCZSA-N 444.488 0.902 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189714 SJKQXOMRVFKNLK-MOINTJSASA-N 437.504 0.813 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[S@@](=O)c1ccccc1 1800209516 CGYRYAHETPHXMA-VOZWNJQISA-N 432.542 0.811 30 20 ICED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)c(C#N)c1 1801850685 UFKATSJXRWSTOR-XEMDLRDOSA-N 444.488 0.905 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1801991464 WYRSYMSEFYOVKL-BBIADKPPSA-N 442.516 0.249 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819368201 JCLRRKBHPAJEJH-LSDHHAIUSA-N 429.477 0.900 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819952437 SSADNUDNZZFLBP-SHCQCUIISA-N 449.489 0.832 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCc2nc(N)n[nH]2)CC3)c1 1821603091 IGRHEYLMFUFDDK-SNVBAGLBSA-N 425.478 0.902 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1829764471 MVRFJRMALONKDC-HZQHCPKGSA-N 449.895 0.058 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)s3)C2)C1 1829769041 MEVXMXRDPQKLHZ-RMUOZIPVSA-N 448.545 0.688 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829903382 RKATYJQADPCJKS-HSZRJFAPSA-N 435.484 0.969 30 20 ICED CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1831103501 GIERDGYDCFAYTM-JOCHJYFZSA-N 429.521 0.688 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCc3ccncc3)C2)C1 1831386914 KUYGSIFLFBPXDT-AUSIDOKSSA-N 429.517 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1831393337 XFEUOYRLDJKQTR-HXOBKFHXSA-N 444.532 0.882 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1831407300 VBDAGPSMVVCKQU-DYESRHJHSA-N 425.526 0.292 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1 1832191052 RKCSSSNKPZZXKS-PXAZEXFGSA-N 426.407 0.916 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197732 BBOXEZFCEBAZEM-CTNGQTDRSA-N 447.561 0.842 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](N)c3ccccn3)CC2)CC1 1833464658 LWLHWYCIRCOXHU-DYESRHJHSA-N 427.549 0.691 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835167386 QRGCRYCOGPYALX-HXOBKFHXSA-N 444.484 0.453 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1835825731 ZDFJFNUFHNKDQJ-JTGQJZMRSA-N 445.564 0.107 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836052295 QWWDEDGUJRDQQI-PGRDOPGGSA-N 432.521 0.439 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124869 WGCFGZFFEZCEBB-IIBYNOLFSA-N 435.477 0.057 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1836661067 BJZIZQXQWLKQTP-QFIPXVFZSA-N 428.489 0.948 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1837452943 NWKRRQAWMISSGJ-OAQYLSRUSA-N 441.444 0.822 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837676786 WOMVBMPQKWOTAR-GAJHUEQPSA-N 442.516 0.933 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5ccnn45)C3)C2)c1 1838740279 JJVRLOLKLMSNPI-QFIPXVFZSA-N 434.456 0.918 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(C#N)c1 1839132224 ZZHGRFNPWYHJCA-QHCPKHFHSA-N 438.484 0.870 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839228074 RWOXTABAGHIQMI-UWJYYQICSA-N 438.525 0.256 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)C2)C1 1839809809 MKPYEOKABNGUDF-VGOFRKELSA-N 435.521 0.936 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1840157022 BYTFHJDMCDGMKZ-CKFHNAJUSA-N 431.555 0.674 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840163721 NDGNXZDOUAUYJR-MGPUTAFESA-N 431.518 0.656 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1)c1ccc(O)cc1 1840219832 IVXZRSWNYQKEDR-WXVUKLJWSA-N 443.544 0.940 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cncn2)CCO3)c1 1840420297 GTROJKTVALMFNT-VGOFRKELSA-N 438.488 0.789 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1845440469 ONJNYNASZIZAHB-GOSISDBHSA-N 444.488 0.984 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2 1847073967 PHTJJMBAJSGHOS-HNNXBMFYSA-N 441.550 0.541 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1847806882 ZBTIMTGHAVBRLS-ZBRFXRBCSA-N 435.521 0.454 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1 108493772 PYRJRFAMWVLDGD-IBGZPJMESA-N 440.541 0.575 30 20 ICED C[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 429531985 BVNNXSPNXCDJJQ-OAHLLOKOSA-N 447.517 0.964 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 444507632 MOLRDAPKFBZPBE-UHFFFAOYSA-N 430.490 0.836 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 462084932 QJAMRCYRZFYBFQ-INIZCTEOSA-N 433.494 0.749 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 468143242 ADZYAEZUVSHBSG-MSOLQXFVSA-N 445.545 0.134 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469152815 WJXLSGXLLYSKSV-VFNWGFHPSA-N 430.461 0.972 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 480794126 IZCBQWDXVMVBSV-INIZCTEOSA-N 447.561 0.238 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1Cc1ccon1 480952377 KUDXAHBPFHBTKI-UHFFFAOYSA-N 445.526 0.367 30 20 ICED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(COC)o2)c1=O 481587914 MQCHEYDSXCLFAS-OAHLLOKOSA-N 431.514 0.857 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481782229 DOEWAEZHZLCGLQ-CQSZACIVSA-N 442.563 0.498 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 482834985 CFACNIVQHQPUDH-YOQCSXPPSA-N 442.497 0.148 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 486611001 JTUQKRGKUXNTSW-CYBMUJFWSA-N 446.507 0.528 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1=O 487684420 AIGNEHDQQHPBLU-KRWDZBQOSA-N 425.489 0.186 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 488600003 VYJODKDDFXLYPX-HNNXBMFYSA-N 440.526 0.173 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1 500481977 BZRLVTFOJLIOTO-UHFFFAOYSA-N 428.514 0.985 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)CC2)c1C#N 501635615 GATHSUGYKPCNHO-GOSISDBHSA-N 427.553 0.630 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCCC(=O)OC 501764124 GYVQTZBEVFVMSE-UHFFFAOYSA-N 425.510 0.977 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 509578612 IJUKAQWUQWFENN-UHFFFAOYSA-N 442.545 0.592 30 20 ICED Cc1ccc(NC(=O)CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1S(N)(=O)=O 513672203 PJVJTKGPWIWUJR-SZNDQCEHSA-N 439.497 0.926 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 516734668 YRWQUPALMJDVGH-UHFFFAOYSA-N 427.505 0.908 30 20 ICED CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 517327951 RKPDPBBTPXARQB-OAHLLOKOSA-N 436.490 0.559 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 549938335 QYIGGLYBKSDMAF-UHFFFAOYSA-N 445.545 0.136 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(N)=O)cc1C 565972384 LPCZIFMJOVPHJF-UHFFFAOYSA-N 435.509 0.440 30 20 ICED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574500413 CVEGPIBEBXBYTP-ROUUACIJSA-N 434.518 0.769 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1 579875879 JBDCPTXKRNCRKF-QGZVFWFLSA-N 428.510 0.718 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 585721033 LLPHPHFAEFRZCV-FQEVSTJZSA-N 440.548 0.314 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 587687470 AYONEKINZCNGQB-QAPCUYQASA-N 436.534 0.634 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(=O)N(C)C)c1=O 671654176 SWJOBTUZXXUYGU-UHFFFAOYSA-N 427.530 0.302 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466167 LQRVCXYLRNGEDH-ZBBYCGENSA-N 432.525 0.241 30 20 ICED CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O 732788235 QLFXAXLOGSDSKX-LBPRGKRZSA-N 432.424 0.737 30 20 ICED CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 733202944 YVLAMXYVNDCSJO-BXUZGUMPSA-N 440.547 0.676 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 745356098 FCEKGKYDWCSZCJ-YPMHNXCESA-N 439.519 0.888 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 749371068 TZMIZLWNDRFKHP-JOCHJYFZSA-N 425.489 0.454 30 20 ICED C=CCCOCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 757677630 KNQRUMKWOLUGNC-UHFFFAOYSA-N 446.570 0.855 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 758052577 DZGGXZVYFQNNPY-UHFFFAOYSA-N 433.892 0.991 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758056482 YGLFWUMPTAZEHU-UHFFFAOYSA-N 440.506 0.530 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 758643864 XJOWRJXZWSTTMZ-HZMBPMFUSA-N 435.462 0.254 30 20 ICED N#CCOc1cccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 760375899 CTDMVGVGNNQAKT-UHFFFAOYSA-N 428.470 0.891 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 761038497 VRWNPASSSRCQCZ-UHFFFAOYSA-N 426.514 0.138 30 20 ICED CCOC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 770539070 VRRORWAUYYVOBT-INIZCTEOSA-N 435.506 0.805 30 20 ICED C#Cc1cccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 783002534 AHNKCKDHPVDGDZ-UHFFFAOYSA-N 426.454 0.366 30 20 ICED CO[C@](C)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 812659352 HJTWLBBGUKBQGU-FQEVSTJZSA-N 435.502 0.749 30 20 ICED C[C@]1(c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)NC(=O)NC1=O 915650261 SOOOFKMXYWGQOT-HXUWFJFHSA-N 441.469 0.809 30 20 ICED C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCN(c2ncccn2)CC1 1115908711 GOOBTPSOSBJWAP-SJLPKXTDSA-N 448.483 0.982 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@]2(F)CCOC2)CC1 1328754396 XFWJZCGWTJUVIO-GOSISDBHSA-N 425.438 0.063 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1339623396 KVYWSXVOHJWKQA-OAHLLOKOSA-N 441.553 0.699 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1502677414 ZALUUHOOTOMJGH-IBGZPJMESA-N 440.570 0.952 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1617709893 RDOKNQYSEIYSET-KRWDZBQOSA-N 443.533 0.519 30 20 ICED CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1641347225 LMPICCWHRHFNRB-UHFFFAOYSA-N 429.502 0.751 30 20 ICED CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691210888 CQMKJWDSBOKTMS-QGZVFWFLSA-N 442.568 0.882 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)(F)F)CCO1 1698493289 POHBNGXURPTMFI-CQSZACIVSA-N 448.409 0.924 30 20 ICED CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1706572166 WRZVXYMXACJQHD-KRWDZBQOSA-N 431.541 0.365 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1711085599 MFSRMVFHMYLEBX-KRWDZBQOSA-N 426.506 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccncc1 1751223701 CWBMBMAOUJAOFX-YJBOKZPZSA-N 444.565 0.703 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1761478077 JTLHNLWXBQMQGE-HIFRSBDPSA-N 444.583 0.596 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778625 PFZRKKKKMCAGSD-KKRXVXNVSA-N 442.476 0.930 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1779067100 NBNVGMIQHWRVHZ-JOCHJYFZSA-N 428.489 0.384 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1779103764 YKSXVYQDRXESHS-WWCXEQRYSA-N 442.476 0.930 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935412 OSYYTOAYWSZPEY-BTYIYWSLSA-N 448.545 0.313 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781391271 QMJBNBBTPXLVBV-IIBYNOLFSA-N 431.493 0.442 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1781396552 RCPLSVHIQQRDGK-QVKFZJNVSA-N 442.476 0.334 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813479 GUMLPPZWGUPLAY-HSZRJFAPSA-N 444.484 0.946 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1782009267 HWGUDNSVAPSAOY-KFXIBHGGSA-N 431.401 0.803 30 20 ICED COC(=O)c1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1782336431 PIBJOUVOJZJZJK-WZONZLPQSA-N 442.468 0.618 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782437097 KIMGUESANCXOOH-KOIKXXGWSA-N 427.505 0.211 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783556862 FHSHWORTYIYDMN-QVKFZJNVSA-N 445.497 0.015 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784194488 BUWKHYCDQKOSRT-OKYOBFRVSA-N 449.548 0.655 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1784531875 QHLKWCGXBZJQTB-WCBJTDJXSA-N 442.607 0.723 30 20 ICED COc1ccc(OC)c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1786658888 APOXIERTCDIFMK-QRFRQXIXSA-N 444.484 0.704 30 20 ICED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676572 MBMHTRPXKVPIQH-IGLVBYLNSA-N 432.506 0.885 30 20 ICED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788743422 VAUVGVOSJRCLRV-QOHMCUEZSA-N 435.569 0.743 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788743450 WJOLNSGAJUXSEZ-GPXCTLJFSA-N 432.521 0.983 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3OCC3CC3)C[C@@H]21 1791074381 XDVJKAAKYQQYII-SZMVWBNQSA-N 427.457 0.552 30 20 ICED CC#C[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)c1ccc(O)cc1 1791331389 SYIKRBDDAICNTQ-ZULIPRJHSA-N 441.532 0.352 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791525923 NWTNPBCMEDSPPL-BJLQDIEVSA-N 438.488 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ccc(F)cn3n1)C2 1792568524 CKEGJLCSFIGLPD-FYVVFRBKSA-N 426.452 0.979 30 20 ICED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793257704 QOJWBAZEVJTODY-FEJSZKPUSA-N 442.516 0.833 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1793340507 JRTDAPXRJGBTNX-PZTGFMGMSA-N 441.484 0.613 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793775850 OATVTYDHTZWCFZ-DKLJTFSYSA-N 433.549 0.958 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)c(O)n1 1794012910 YMRGYDFTOMDKHZ-MUJYYYPQSA-N 441.488 0.709 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C)cn1 1794087048 GBOTYGRKLDLLKP-ROAZTASUSA-N 426.517 0.771 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccn2)nc1 1794257424 PERDAMDPILOBQZ-PHXBYCTMSA-N 435.484 0.780 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n(C)n2)c(C#N)c1 1794324518 USQINNQKKONRQR-VPTLXERWSA-N 439.472 0.452 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(O)nn3)c2c1 1794566168 ZDMNBPFKYFLZFO-IVWMJMPLSA-N 433.428 0.447 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1797811805 XZIDSUYNODGURG-MRRSSBBESA-N 442.476 0.690 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798114872 ZDYLMSKKPZBTOC-GNXNZQSNSA-N 442.257 0.631 30 20 ICED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641901 HXKLAQJSAJMOPF-IZZQQSIFSA-N 429.546 0.440 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1800547182 HRLCSEAXRSEFOQ-AGGWBTHJSA-N 426.420 0.058 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)OC(C)(C)C)C1 1800764059 ZPHVLXNOINSSLA-ZGRIBIJBSA-N 447.532 0.624 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1800981298 UHPRAYQCEMGEOJ-SEEKVXKWSA-N 431.558 0.943 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccccn1 1801222223 NCVVBPFTBVRAJJ-NAQNXIHYSA-N 426.517 0.708 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802119051 QPDVCVOFWMLJHA-RCLSDMTESA-N 443.544 0.888 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn(C)n1)C2 1804374046 XBVARPHERDSXFN-QKPAOTATSA-N 430.509 0.984 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1804808664 TXTMKKPXPFOQJR-MDYRTPRTSA-N 435.484 0.933 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc3snnc3c2)[C@H]1c1cccnc1 1811345878 ZZVGWPHJXWDPKN-SCLBCKFNSA-N 436.453 0.889 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(=O)c1ccccc1 1812872708 HHQLGUNWPFGSEE-XXBNENTESA-N 448.479 0.948 30 20 ICED CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)NCCC#N)[nH]n2)CC1 1818911959 LYAJCWCBXNWIIJ-GOSISDBHSA-N 444.584 0.931 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3ON=C(c4ccccc4)O3)sc2C1 1819592558 FBGQCEOIQACRRR-CWTRNNRKSA-N 440.437 0.878 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1819713979 FKPSCOKOQFRYEM-XPKDYRNWSA-N 438.550 0.779 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972657 GVLCMISAVYSMLF-WBVHZDCISA-N 435.525 0.959 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1829773072 ACMZPOPRRKRZMH-SXFJPSEXSA-N 448.564 0.174 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccc(OC)cc3)CCO2)C1 1830211774 OXSKCJGBHYQYFF-MONBJTKQSA-N 446.500 0.223 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1831151074 VXJLXAHOLSWXSN-IIBYNOLFSA-N 435.546 0.533 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831393922 SDHZDXBBCQYUJX-JLGINSKQSA-N 441.528 0.196 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831406109 USWHTPSVYLYPCF-QFIPXVFZSA-N 439.553 0.588 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1831437316 BKIXIOBPZABRPC-UWJYYQICSA-N 428.526 0.823 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3ccnn3)CC2)CC1 1833077151 RHMYJSQTNUIBPP-CHYADLBTSA-N 443.552 0.269 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834104759 KVLZCCDRRDWDPW-NRFANRHFSA-N 425.445 0.674 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1835102900 PPDOZEOQPLQXSY-UGKGYDQZSA-N 446.525 0.072 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)[S@@](=O)c1ccccc1 1835362595 OWSSSGZBHFGBFO-XHEIURJNSA-N 433.530 0.943 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673993 CNJWPQONQMDJAB-QFIPXVFZSA-N 446.552 0.563 30 20 ICED C=CCC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836534488 MKAHGRQMMRIJFU-HNNXBMFYSA-N 441.479 0.368 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535858 OFTHQWGWUXVTNP-UHFFFAOYSA-N 436.597 0.038 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCN(C)CC3)CC2)CC1 1836856875 AMDMRXXSRRKNES-FQEVSTJZSA-N 448.608 0.661 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837415107 SYNOUWOGAHUILN-XXBNENTESA-N 432.517 0.834 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486756 NUPIUYPVGGRMML-HSZRJFAPSA-N 449.548 0.056 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1F 1837488900 UXINJNTWGVCWDV-QFIPXVFZSA-N 448.495 0.626 30 20 ICED Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489068 YYEDRBGLNWXKEO-QFIPXVFZSA-N 431.489 0.752 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837490581 HPOUAJUAEAXSQS-CVDCTZTESA-N 432.517 0.834 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567486 MXOTWNDZTDVRRP-IPIYSKPDSA-N 443.504 0.921 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccnn5)CCO4)C3)c2c1 1837878803 MFHASGYLQBSZNQ-JOCHJYFZSA-N 447.455 0.608 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1 1838021202 TWHRZGLOQNEJNJ-UHFFFAOYSA-N 425.445 0.430 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839223970 CYSHOTHKAQZPJW-ACJLOTCBSA-N 438.441 0.189 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839224292 HLXVUWOIZYYBOL-SCLBCKFNSA-N 425.511 0.596 30 20 ICED COc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1839333346 FTFRISCBTTZERI-HXUWFJFHSA-N 438.383 0.131 30 20 ICED COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c([N+](=O)[O-])c1 1839462120 KAABWPKILITENG-FQEVSTJZSA-N 446.416 0.365 30 20 ICED COC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043686 OTNYIBQQIAWSNQ-NRFANRHFSA-N 445.428 0.023 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840160234 CHTLRIIXSUVVQS-RBZFPXEDSA-N 434.518 0.444 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840580009 ZQDSAUMMPFHDMZ-OXQOHEQNSA-N 426.535 0.848 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)O2)C1 1841080894 YELTXLNJRIYNMO-OAHLLOKOSA-N 447.488 0.446 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282535 BRASSLKNWHQZBQ-KRWDZBQOSA-N 449.548 0.774 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1847046282 ZUGOMOVMYNGGRI-STQMWFEESA-N 429.539 0.965 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1847806881 ZBTIMTGHAVBRLS-RSJGLCBASA-N 435.521 0.454 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 435249192 SAGOJHPLFWEQBC-UHFFFAOYSA-N 425.493 0.955 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 444567589 GLOYTCDVSBBMEP-UHFFFAOYSA-N 449.515 0.859 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 445175385 SLYTWKWIMJJXRL-ZWKOTPCHSA-N 429.473 0.964 30 20 ICED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)o[nH]1 462267849 IXANYPXOHKVNRE-UHFFFAOYSA-N 441.473 0.810 30 20 ICED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Br)cc1 468605495 AIGQEFPSCYIIES-LLVKDONJSA-N 441.263 0.800 30 20 ICED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476727309 DDMUUOALURIOAX-HNNXBMFYSA-N 444.513 0.999 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 481775885 HFGFCASXLYTTCA-DAYGRLMNSA-N 440.518 0.959 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 484861346 ZBPUCQSWGPTASJ-HNNXBMFYSA-N 436.534 0.949 30 20 ICED N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1Cl 486431052 BWNHRKSAIYEAFK-UHFFFAOYSA-N 441.922 0.765 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2=O)cc1 488648819 MDJDZGNAVDXCHV-LJQANCHMSA-N 429.440 0.995 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(S(=O)(=O)CC)ccc3o2)c1=O 488752411 KUAXXLPNWQWEDQ-UHFFFAOYSA-N 432.458 0.527 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 489485593 RXVFPVWSLDHJIO-LBPRGKRZSA-N 437.250 0.861 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 489949808 DSRJPEPBSOTLOV-UHFFFAOYSA-N 433.450 0.379 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1=O 494137550 RWZWIMFSBOTRLI-AWEZNQCLSA-N 448.501 0.723 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 497478014 WANLQHSWOFUMNU-RTBURBONSA-N 447.561 0.270 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Cc3noc(C)c3C#N)CC2)c1 499594055 FNYLZQDSQKDPOZ-UHFFFAOYSA-N 438.487 0.778 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)cc1 500324924 SCOJBVXWEJFTEC-HNNXBMFYSA-N 431.449 0.213 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501245071 QENXTKDNOMBETC-UHFFFAOYSA-N 425.510 0.903 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCN(C2CC2)S(=O)(=O)c2ccc(C#N)nc2)cn1 503222121 UVSOBBLANKBNGA-UHFFFAOYSA-N 432.487 0.352 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 504023062 QRZFNWSGMJXOIO-UHFFFAOYSA-N 431.474 0.597 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCC(=O)OC 505666641 UKAHRBWOISDIAJ-UHFFFAOYSA-N 445.545 0.324 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506589743 GRUUZOMCZVJSID-JGGQBBKZSA-N 428.536 0.059 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 507389454 BKVRLMZHVMWTMI-HZPDHXFCSA-N 442.563 0.360 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513582206 JRCXSEMHNWGIKF-LHSJRXKWSA-N 439.497 0.926 30 20 ICED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1C1CC1 514913671 GCTDVVUMDMAHFN-UHFFFAOYSA-N 430.555 0.258 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 516329777 PEDIYNNKPPFXNN-IRXDYDNUSA-N 442.559 0.959 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1=O 517843988 IGRVCOWRHRTPTB-UHFFFAOYSA-N 436.827 0.740 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 517992471 KNEDONROWFZCPA-IBGZPJMESA-N 438.532 0.899 30 20 ICED N#Cc1ccccc1OCCOn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 541124348 KKCSWQHOOVBVPB-UHFFFAOYSA-N 429.458 0.831 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551073200 FTNWQCMYQHDUBC-HXUWFJFHSA-N 447.495 0.550 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCO1 559220673 WFGXSMFXCZXMGV-FUHWJXTLSA-N 426.477 0.716 30 20 ICED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 569375032 MJNKNVYUWFBORS-CQSZACIVSA-N 446.533 0.542 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 570033489 XDRYPSIOXQDVNM-PKOBYXMFSA-N 436.459 0.357 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 573006055 LWKMKBGLWUIHPF-UHFFFAOYSA-N 445.568 0.653 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592988003 HASHMBYXAFXVGA-UHFFFAOYSA-N 438.488 0.843 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C 604270215 UAALBQZMIYITFC-UHFFFAOYSA-N 426.542 0.644 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 609346617 MHKZHNSCWSTSHK-UHFFFAOYSA-N 434.518 0.575 30 20 ICED Cc1ccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 609413320 AGNVDNBNNACROT-UHFFFAOYSA-N 436.515 0.515 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2coc3ccccc23)c1=O 610955074 NUMQGKDCEOVVNE-UHFFFAOYSA-N 438.509 0.144 30 20 ICED CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402331 FLZTWSFKQMGVPF-SHUBJWRZSA-N 428.536 0.307 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccncc3)c2=O)c1 726579572 IXGMFBDKISEGRB-UHFFFAOYSA-N 442.500 0.637 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 729282190 ZKZOOHMVJPSAAR-UFYCRDLUSA-N 442.560 0.636 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 732562613 GJXCHEBLMGEGFI-UHFFFAOYSA-N 438.900 0.890 30 20 ICED CCCn1c(=O)n(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732909363 AGMBIYYPFNWSPT-HNNXBMFYSA-N 432.502 0.569 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 735479258 YNGJSLNNDPXXDG-MRXNPFEDSA-N 442.545 0.447 30 20 ICED N#Cc1cccnc1NCCNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 738991446 VZXDGVRNGCKLSR-UHFFFAOYSA-N 437.508 0.524 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 741140822 RMZFKWFOYXQZJI-SSEXGKCCSA-N 433.530 0.239 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CC1 747992007 SJVAIOKSXBRMCZ-UHFFFAOYSA-N 447.495 0.938 30 20 ICED CN(C)C(=O)CN1C(=O)C(=NN[C@@H]2CCS(=O)(=O)C2)c2cc(Br)ccc21 750912200 USFOLOWPYQDXCK-LLVKDONJSA-N 443.323 0.365 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)ccc1F 751121956 YWBIKXZRNFSDTB-UHFFFAOYSA-N 434.449 0.757 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 753831295 NAMPZYXXKFLLJZ-UHFFFAOYSA-N 426.498 0.486 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 761022730 CYPXKBLCTTYVBN-CVEARBPZSA-N 438.550 0.355 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 761024865 QUOYCYZCWSPTAL-QZTJIDSGSA-N 449.577 0.324 30 20 ICED CS(=O)(=O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 764409787 USQDPEYJAVDTQW-ISLYRVAYSA-N 433.490 0.504 30 20 ICED C#CC[C@]1(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 764479458 MHOYFOPAETZERU-MGPUTAFESA-N 441.550 0.541 30 20 ICED COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 774475068 DXZZTADYSGZYGF-QNGOZBTKSA-N 437.478 0.005 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)ccc1F 775504540 OUESZCXMMOMWKL-AWEZNQCLSA-N 427.498 0.999 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C2CC2)c1=O 782600976 MCVIOKQHUWYXHE-UHFFFAOYSA-N 446.554 0.252 30 20 ICED CC[C@@H](NC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787044890 IDXJOTPRTCCOKD-HZPDHXFCSA-N 436.472 0.800 30 20 ICED C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 787351253 USKRCKMZEHRENT-OAHLLOKOSA-N 443.504 0.931 30 20 ICED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787776368 UPYXFZOUCCBPIC-CYBMUJFWSA-N 430.490 0.348 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCC3(CC2)OCCO3)c1 795325412 YBJYSABASBKCAY-UHFFFAOYSA-N 437.474 0.182 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 802444526 DLRSQONBWCBQTB-UHFFFAOYSA-N 449.537 0.304 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c(F)c1 802562484 OSMJXCNXXMLWBO-UHFFFAOYSA-N 429.445 0.395 30 20 ICED C#CC[C@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 809622966 NFIGZWSJUMACRL-HXUWFJFHSA-N 442.582 0.473 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 810044585 GIGSQZYTFVHPMD-OAHLLOKOSA-N 437.522 0.995 30 20 ICED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 810779810 BWEKZNPXTRNFFR-UHFFFAOYSA-N 432.520 0.053 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 914659470 UNTWOTZMBGICAF-AAEUAGOBSA-N 448.494 0.139 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)o1 914684134 ZJNPOXMYNWXEAH-UHFFFAOYSA-N 437.412 0.586 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)ccc1F 915611786 WHGNFMJKCVULQI-UHFFFAOYSA-N 434.449 0.757 30 20 ICED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)N(C)C(C)(C)C#N)CC2)c1 920620358 FASKZFLCHVWKQE-UHFFFAOYSA-N 436.534 0.751 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1 921193931 YBEWTZWVJFSIQH-UHFFFAOYSA-N 443.514 0.806 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(F)c1F 1116356793 WROMBWVFOSFSKH-UHFFFAOYSA-N 442.447 0.838 30 20 ICED Cc1cc(C#N)cc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1310872600 NJPVWEKUPYBADB-MRXNPFEDSA-N 426.520 0.533 30 20 ICED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 1313406277 IPHNKDUWENRTGW-UHFFFAOYSA-N 432.506 0.899 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)CCO1 1316541008 QMQKIRBDWOEWLS-KRWDZBQOSA-N 429.525 0.968 30 20 ICED COC(=O)Cn1nc(C)c(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 1319858357 JIKQNGYVTSPBLW-GFCCVEGCSA-N 447.517 0.806 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CC(=O)N3CCC(N(C)C)CC3)CC2)C1=O 1330234935 PVRHBRFJNXKZAT-UHFFFAOYSA-N 447.536 0.145 30 20 ICED CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CCS(=O)(=O)c1ccc(C#N)cn1 1559866295 OJQIDNKWMNQLEB-UHFFFAOYSA-N 437.547 0.443 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1627417514 OIUPJWMVEYUJMD-UHFFFAOYSA-N 435.502 0.751 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1727652562 JCFMNSDDEMNPDY-INIZCTEOSA-N 431.522 0.423 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1731184916 LBIJJZYSRRBODO-FUHWJXTLSA-N 442.501 0.892 30 20 ICED COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769197706 GWHFXULZTOMIOT-IIAWOOMASA-N 425.559 0.347 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1 1779096146 NLLGESHEJYCEBI-OAOOKAIFSA-N 442.516 0.408 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@H]3CCCCO3)C2)cc1O 1779420588 WTMDPZWAKKERMN-VDALEZFKSA-N 449.508 0.782 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428825 QDKJZXPECTYWTO-VAYIWLARSA-N 438.525 0.554 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)nn1 1779901664 YBBGHIGLSPKFRV-QFIPXVFZSA-N 437.456 0.879 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781254166 FHPUEHQAEYZTMG-ZOCZFRKYSA-N 438.525 0.420 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1782152488 UKCAQSWFDPKMIE-HXUWFJFHSA-N 435.477 0.976 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3nccs3)C[C@@H]21 1783531041 ILBPJKNMAKEIOF-VNXRMSRUSA-N 447.561 0.782 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686042 HMMCFVVBUGXYTI-DENIHFKCSA-N 442.553 0.725 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783901554 RYUIKBFOVZEPJI-KZDUYQQSSA-N 443.566 0.362 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352363 RBCSEVYVLBSYFR-CCTNSLRFSA-N 445.520 0.874 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1784369345 LSCFRVXSDKNQAQ-ZJSXRUAMSA-N 449.511 0.339 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1784373694 UJOWZMKLFFGVKC-FQELHTAISA-N 448.524 0.088 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784519719 ZDQLGHWQBQHMLB-VFBSRRPISA-N 442.582 0.119 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnn2ncccc12 1787375940 CBWUWDINBHBJCX-ZRRIGXHUSA-N 439.520 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788440451 HDTVEWBBYMWVSL-VTCANLHHSA-N 425.485 0.562 30 20 ICED C=C[C@H](O)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 1788569957 GYFBJNTZDZGFIM-WOYTXXSLSA-N 430.567 0.220 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)CC1 1788601826 OQZCVBNVIPWPKC-JYEIPFOFSA-N 448.612 0.075 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1)n1cnnn1 1789908253 OXVMERTWVHMPQC-UJNZZBMASA-N 441.467 0.467 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21)C(F)(F)F 1790880812 YKQXJZIZHZRABW-IHRRRGAJSA-N 429.395 0.400 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791278357 XQRLJLSSCNFURX-YVSFHVDLSA-N 425.526 0.818 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2 1792488828 XYNGATJYFUZJCF-RUMDQQRQSA-N 433.455 0.955 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1792493688 OZYFASVMWARORM-NXOAAHMSSA-N 429.583 0.896 30 20 ICED C=CCO[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 1793353919 HZQJEKJBJJMHBS-NQNKBUKLSA-N 441.525 0.053 30 20 ICED 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)n1 1794794210 MCCNEKMUPYJPKS-MVJTYMMSSA-N 445.520 0.540 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1Cc2ccccc2CN1 1796327052 AYEGOEGKDJWXLE-BXRGBVQESA-N 439.560 0.762 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1797345142 WYJMWTYJAHBEAA-BJWYYQGGSA-N 425.493 0.443 30 20 ICED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O)c1cccs1 1798383384 QPCRAOAVTMRIGK-SHXSXUFKSA-N 428.470 0.886 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1)c1cc2n(n1)CCCNC2=O 1798520733 ICKSOECARGHPQU-CMRMJKJJSA-N 438.488 0.981 30 20 ICED C#CCO[C@@H](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 1800177845 OFGNBDXWLUQTPJ-IECFSIQFSA-N 437.537 0.939 30 20 ICED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)c1 1800682173 NGHXJQIHTASJPY-BJWYYQGGSA-N 448.520 0.680 30 20 ICED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774205 SLNIDRDJHJQTLP-WPECMILSSA-N 449.504 0.357 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2O1 1800947430 ZENBGSIIHZXIJP-YGORATHOSA-N 439.512 0.828 30 20 ICED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801442970 WDFBXFBEHAHPOW-XEMDLRDOSA-N 427.501 0.496 30 20 ICED 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)C1CN(C)C1)C2 1802141171 KIDMUMBNCUGCLE-GIFQPEHOSA-N 448.564 0.607 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1802488435 XILGUDVYNDWFLP-MMBJZUBHSA-N 439.516 0.567 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)[C@@H]1c1cccnc1 1807744717 ZKPIBPMDUZYPGW-QLDGJZPUSA-N 438.484 0.576 30 20 ICED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)nc2)[C@H]1c1cccnc1 1807917344 RIBRJEGBRGFXOA-OXJNMPFZSA-N 426.498 0.974 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809597868 BYMLZCGXLLYEPA-JAXLGGSGSA-N 443.592 0.908 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811791909 ZBKSEZNUTKCPOD-RXVVDRJESA-N 446.467 0.825 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814918877 HDXRHOWJVXUVOI-GFCCVEGCSA-N 432.554 0.177 30 20 ICED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032446 LZAXVNORLMNMBS-MNOVXSKESA-N 430.490 0.849 30 20 ICED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824667559 NVNOTXBWDVNPMV-SNVBAGLBSA-N 426.520 0.517 30 20 ICED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1826680281 GKUFGQZEMMBLJZ-SFHVURJKSA-N 436.578 0.640 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826935452 AKIWNNOLIISCJO-QZTJIDSGSA-N 434.585 0.481 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCN2C(=O)OCc2ccccc2)C1 1828524654 CQCORFWRNVKVQB-VBKZILBWSA-N 437.518 0.068 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1828808334 QWELUVLJIFYGAG-QFIPXVFZSA-N 441.488 0.618 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)cc1 1830960689 ZWNHXZIPVKNVGG-XMMPIXPASA-N 449.511 0.980 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831218073 KGXQUABNMXJHBF-YCRNBWNJSA-N 429.517 0.257 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1831386662 ICXYGTOIKOJBEH-UTKZUKDTSA-N 433.530 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1831393070 UNFLCCJNZXFNFN-VLIAUNLRSA-N 434.518 0.524 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831488552 XETYYTDRYZDZSC-YLJYHZDGSA-N 439.534 0.420 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1832527578 RUFINKADVJXIGL-HSZRJFAPSA-N 442.516 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833670456 VXHOONGFARZDHK-HXUWFJFHSA-N 436.597 1.000 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cccc(Cl)n3)CC2)CC1 1833879492 LAZWUSILWUDJTL-UHFFFAOYSA-N 432.908 0.937 30 20 ICED CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833888337 MZWLNQOMICEBSF-HSZRJFAPSA-N 443.548 0.996 30 20 ICED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834519371 KSOCMOMKNYHAGL-UKKLRFBMSA-N 433.509 0.779 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834619148 JYTMCEIRVZFNTO-FQEVSTJZSA-N 426.627 0.845 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098248 DIAGKHKTYPYOGL-WIOPSUGQSA-N 448.523 0.460 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1835354712 XGRFRWFFWVXENO-NRFANRHFSA-N 427.461 0.340 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)N1CSCSC1 1835359853 LVJSFZCQTGKBGF-QAPCUYQASA-N 428.580 0.790 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1835675321 NPBUTIDZXHPAPD-JOCHJYFZSA-N 446.552 0.009 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Nc3cccnc3)CCO2)C1 1835684607 HBQWWPNKZMRMBN-JBYIUTFZSA-N 430.505 0.377 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835740392 XNHMOOPUKXLWGD-INIZCTEOSA-N 439.626 0.633 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1)C(F)(F)F 1835999783 OZMNDZLZROCQLE-GOSISDBHSA-N 429.395 0.423 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836050347 ZHJCWZMZCOYOKI-XMMPIXPASA-N 434.496 0.917 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2)C(F)(F)F 1836849910 AZENQRGRTCYXPT-SFHVURJKSA-N 439.394 0.918 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(C)C 1837221520 LZWLTKIXQBDTHP-MMOPVJDHSA-N 441.525 0.831 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440628 QKCIGTDEOFTSME-HHPVHHTKSA-N 435.569 0.399 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cncn1 1837567245 AAMXDNLMXKSUGX-BHPBEWJQSA-N 430.465 0.008 30 20 ICED O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)N1 1837737174 LNOOILNCDHAZSQ-WQZUMXOESA-N 430.505 0.976 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838063112 UBAMDSKNAPYODI-NRFANRHFSA-N 444.875 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1OC)CCO2 1838288992 PFDVQIRDEKDHKK-NYPGBQQYSA-N 449.529 0.685 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838798389 RJNGXWLWUAHBQU-QFIPXVFZSA-N 440.456 0.351 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905471 ICBFDHNWSCKISN-QHCPKHFHSA-N 442.516 0.791 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnco4)C3)C2)ccc1F 1839186664 IDEBNDRVBLGAIE-OAQYLSRUSA-N 428.420 0.998 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204096 HMSSKLNSLYFVMD-KKSFZXQISA-N 441.525 0.295 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839228720 MRURLBFKIJBBEG-IIBYNOLFSA-N 441.525 0.833 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363902 BBBHQZIWNMTMNV-NRFANRHFSA-N 449.529 0.257 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839960790 NCLLYKDHOKVITL-KKLQWCBXSA-N 447.532 0.847 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5c(c4)CCO5)CCO3)C2)CC1 1839997734 DMJLPEXGHSXUAB-HSZRJFAPSA-N 425.485 0.924 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840158581 NWTFSBVDNKQLRE-XWFZLUIHSA-N 433.574 0.818 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285759 ZMNVNUMHBNZUAE-GOSISDBHSA-N 434.867 0.973 30 20 ICED CN(C)c1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840315709 KJYQIFQEJLODJB-HSZRJFAPSA-N 443.500 0.230 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840851111 JZTRZHAZXSKUQL-KNQAVFIVSA-N 439.553 0.730 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841249281 OMNVNDGDGPYWAL-UHFFFAOYSA-N 425.441 0.059 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1844159093 JEZAFFHEEQLJSF-SFHVURJKSA-N 430.461 0.377 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccc(O)cc1 1846413792 RZMGGAAQVBZQID-HKUYNNGSSA-N 426.517 0.685 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848217350 KAZMMJOLUXYDHD-PYTWLRIVSA-N 431.493 0.995 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 16439306 DINXNDJJHLWDGS-UHFFFAOYSA-N 441.532 0.553 30 20 ICED C[C@H]1CCCN(/C(N)=N/CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 305768154 JSXDZNCQMSEOSK-AWEZNQCLSA-N 432.568 0.838 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 410409514 XMEZULOLYPQVLY-DOTOQJQBSA-N 426.514 0.769 30 20 ICED CN(CC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)S(=O)(=O)c1ccc(C#N)cc1 428002779 ZNUDXIIHIDANGP-YOTHAXIUSA-N 427.526 0.804 30 20 ICED Cn1ncc2c(=O)n(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)nnc21 440850122 CGZUOHUXHHVZEM-ZDUSSCGKSA-N 436.476 0.895 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 460620896 VCMGTAUQBAUHMI-HXUWFJFHSA-N 441.517 0.402 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 461307382 KRQQMJRQUBYDBP-UHFFFAOYSA-N 433.432 0.223 30 20 ICED C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 461984172 MLXARDVEBRAUAR-RRARJMIVSA-N 426.448 0.897 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3nc(S(C)(=O)=O)n4ccccc34)CC2)c1C#N 472674225 OOGDBVUTFZJGIC-UHFFFAOYSA-N 427.490 0.614 30 20 ICED COc1ccc2nc(C=c3sc(=C(C#N)C(=O)N4CCOCC4)n(C)c3=O)sc2c1 473428407 QQCKZVCQLIWGCA-UHFFFAOYSA-N 442.522 0.427 30 20 ICED CCn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 488190103 ZIYHGTGTOVMSKZ-FZEVHQGJSA-N 445.549 0.525 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2=O)cc1 488604726 YLGXYIABPVPYHL-GOSISDBHSA-N 429.440 0.995 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488624936 GHZTXDZAQCDWID-INIZCTEOSA-N 441.469 0.213 30 20 ICED COC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 489151076 ZRZGIMRDEMFUFU-MRXNPFEDSA-N 429.433 0.329 30 20 ICED Cc1nc(SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c(C)c1C 502714238 CXDLZOPVIULNQB-DLBZAZTESA-N 438.575 0.585 30 20 ICED C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508801067 JRRZYYSRRAWSOR-UHFFFAOYSA-N 437.508 0.995 30 20 ICED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 508868583 VXSUHUBEYRQBTP-MRXNPFEDSA-N 443.533 0.944 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1C 511322327 LNMALBJNYVEDEM-UHFFFAOYSA-N 439.476 0.649 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 511360309 NBXPXZQZNUEXEC-UHFFFAOYSA-N 430.538 0.981 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)c1 511527731 ZALLAAUMDCSFGZ-UHFFFAOYSA-N 446.467 0.890 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 512476115 XOWBQILWMBSCSG-RTWAWAEBSA-N 432.613 0.697 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c(OC)c1 514913710 IYUAFKDIDWMVGU-UHFFFAOYSA-N 441.509 0.624 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 521753885 RIDYBRQYUIOJEO-DOTOQJQBSA-N 436.534 0.800 30 20 ICED CN(C)CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 524111571 BHQNRVLPAFTEAI-UHFFFAOYSA-N 433.578 0.665 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)s1 524281279 ORJJIWGDTCHCBI-UHFFFAOYSA-N 439.584 0.557 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533514682 KSEYOZMYCJYLIA-FQEVSTJZSA-N 449.533 0.378 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2)c1=O 540033929 TUVLAJHUJPSUIP-UHFFFAOYSA-N 449.446 0.869 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1 542006311 SJOPJVGDDZOOAH-UHFFFAOYSA-N 429.498 0.274 30 20 ICED C[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@@H]1C1CC1 544176582 XGBOOFKWSDRNBB-RTWAWAEBSA-N 432.546 0.938 30 20 ICED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 559010275 BVOJVJBJUVELIV-UHFFFAOYSA-N 441.471 0.908 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CC2)c1C#N 561280135 HZIWVJBCTDCNGP-CQSZACIVSA-N 441.458 0.249 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561430840 KDOLFQCNXFAFHJ-AWEZNQCLSA-N 442.501 0.068 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C[S@](C)=O 564598835 HPOFJJBAJKDKPE-KJEZJMDVSA-N 426.502 0.903 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)c1C#N 569283131 ARDAVJVVKUXKKN-UHFFFAOYSA-N 441.565 0.767 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 579692268 ATERDSIDDZIYAJ-HXUWFJFHSA-N 447.495 0.945 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 583225231 YZZVGUIKOVHATC-NHCUHLMSSA-N 444.532 0.529 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)CC2)c1C#N 583407333 YDHXXEHKXYFTBZ-INIZCTEOSA-N 446.577 0.810 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 729672810 JNQITFOFIREDHY-UHFFFAOYSA-N 437.506 0.438 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732425987 WOSVJKFKFYWTKP-FXBPSFAMSA-N 437.522 0.822 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743728783 XFBNETVWZIUVGK-UHFFFAOYSA-N 447.538 0.927 30 20 ICED CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 748980615 ARUBMARBAGKWCP-OAZPQLMHSA-N 435.506 0.175 30 20 ICED COCCN(C(=O)CON=CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 754276974 VYIYUUVXQUEARX-ZDUSSCGKSA-N 431.898 0.943 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[S@@](C)=O 766646613 UIROGUNNCWTYDU-JJMFFDHPSA-N 442.563 0.711 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1 776592880 CBGWHAVPLZURKV-UHFFFAOYSA-N 425.577 0.973 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)ccc21 779318952 SAYJAZSBAPSCII-UHFFFAOYSA-N 432.502 0.855 30 20 ICED CN1CCN(C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2)CC1 787734232 AKRDEWFKESTBIB-FQEVSTJZSA-N 435.532 0.586 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1c(C)nc2c(c(O)nn2C)c1C)c1cc[nH]n1 789978085 GCBCMWZIDDXJPK-UHFFFAOYSA-N 429.437 0.614 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)CC1 791950889 CZGGKARRXPCMMB-AWEZNQCLSA-N 426.495 0.996 30 20 ICED C#C[C@H](NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C(C)C 798544497 AHHQVTWIYFDQFR-INIZCTEOSA-N 431.536 0.748 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 800051531 MUMUVXPAOQISGM-UHFFFAOYSA-N 425.555 0.514 30 20 ICED C#CCn1ccc(CN(CC)c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)n1 804675032 YXAZIUQUVLMFGZ-UHFFFAOYSA-N 425.536 0.441 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC2)c1C#N 807666840 LESHVAFRETVAGS-UHFFFAOYSA-N 447.540 0.668 30 20 ICED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 807825396 KJOIOTDRUMRTPH-INIZCTEOSA-N 442.520 0.975 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 810785433 HJRLSLVNAIZWHR-UHFFFAOYSA-N 426.516 0.759 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCc3c2ccc(=O)n3C)CC1 814850858 HERJQONHSZXOTJ-UHFFFAOYSA-N 430.534 0.869 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 849120921 DGYLENLACPPKID-LJQANCHMSA-N 436.490 0.617 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314556943 NJKBEBXCQKXETP-GOSISDBHSA-N 444.565 0.380 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1314639509 UTDAVQKIQCOOPA-UHFFFAOYSA-N 431.522 0.377 30 20 ICED CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315049574 OUYAZLCOURKHKA-GJZGRUSLSA-N 425.497 0.295 30 20 ICED C#CCNC(=O)c1cccc(-c2noc(C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c1 1320197925 HDAWYKDEQFOYMX-HNNXBMFYSA-N 441.469 0.613 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1541106548 YHZCGZRXSPHLOA-OLZOCXBDSA-N 434.588 0.697 30 20 ICED CCOC(=O)c1cn(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1634505406 KWXOGXPUGFZBMJ-CYBMUJFWSA-N 433.490 0.693 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1706075249 LGEUXJWDNYHLFD-HOCLYGCPSA-N 431.522 0.804 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC(=O)N1C 1752389076 VBZPFSDUIGXMSP-CYBMUJFWSA-N 447.446 0.777 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1767627216 YPWQFGMRZFPJQD-FCHUYYIVSA-N 440.504 0.843 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c(O)n1 1778937974 LFWAAOKASZNSHY-NRFANRHFSA-N 427.461 0.225 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1779107598 UUFNCCSBRSNIQC-WCNTUGILSA-N 442.476 0.930 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779135821 HJDGXJKCWYQYNK-XZEIMLRBSA-N 427.461 0.821 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779279977 IDDVWIONDXBWAJ-NYHFZMIOSA-N 428.464 0.760 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779281394 OPIDQRAYQSIIEH-IVZQSRNASA-N 426.473 0.701 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(O)cc2O)C1 1780846585 ZXERVVUBCJXDHA-OXQOHEQNSA-N 436.848 0.967 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781390360 HIRQPMQPESVAPU-KKSFZXQISA-N 433.509 0.765 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782010876 IZZGWVBAUOCGBE-PEOGOYOCSA-N 434.489 0.568 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782207251 XHRRWVOXZCIJKZ-AHWCRGGASA-N 440.537 0.689 30 20 ICED CN(CC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1)C(=O)C(=O)O 1782744371 BLFIAWYPQYFJLN-NRFANRHFSA-N 447.875 0.064 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1783131637 DDONDOHHJQEUJW-DENIHFKCSA-N 438.488 0.743 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCn4ccnn4)C3)C2)c(C#N)c1 1784532943 KQFJEDMJBFTRFH-QFIPXVFZSA-N 438.488 0.621 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C#N 1785197076 BDJLGTQOWZVUBR-QFIPXVFZSA-N 425.441 0.877 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785685169 QBEBPLVLZLGGTG-ZOBUZTSGSA-N 448.499 0.658 30 20 ICED Cc1nccn1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660959 RJYIASWPPAFAKK-LZAHIWBNSA-N 433.509 0.700 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1789891173 JCWOFUYPXOEWPG-XSLAGTTESA-N 445.520 0.766 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)c(F)c1)C2 1792491375 QRQJGQSENAAACW-HJZKZARXSA-N 445.491 0.825 30 20 ICED 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)CC 1792860950 YWRRBHQBVPVXQR-QEOTZNIISA-N 425.526 0.816 30 20 ICED Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)c2ccccc21 1797173056 XHZHNEBGJJJPLQ-CWPLJXCYSA-N 437.500 0.623 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1797965968 IMWUSHURZMMMQE-SHJAMOMRSA-N 447.919 0.432 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799149004 LUAVPKGJLAFPAQ-NJHADGRTSA-N 434.537 0.778 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O)c1ccc(O)cc1 1799293577 YQHUNIOZWXEDEH-FSWZZPBRSA-N 427.501 0.613 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)N1CCN(C)CC1 1799748038 YYCVVSHZLGDUTO-LAVAIGHBSA-N 443.523 0.536 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749116 LKZLBBKEBVIVDB-RMHZUWNSSA-N 433.896 0.862 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2ccccc21 1800888004 GBTSHCFYTUCIJF-UPHUGPLXSA-N 438.532 0.908 30 20 ICED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)C(F)(F)F 1801989285 JCUGXGQIOUGWCA-CSHUHZATSA-N 441.406 0.840 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802078946 MXOXMGZBWWXNSO-VXHSXNFHSA-N 430.457 0.445 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(=O)NCC(C)C)[C@H]1c1cccnc1 1802483995 UCFDQBOFCQAUAP-USTRKRCUSA-N 441.532 0.718 30 20 ICED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1806768534 KVLZDOFIXIWMNL-QGGRXXHISA-N 435.550 0.604 30 20 ICED N#CCC(=O)N1CC[C@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1807354347 QSMLSYQLJJJXBB-BEFAXECRSA-N 438.513 0.906 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)c1 1811407769 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1831392756 OCSXRYJPFBIQMT-WZONZLPQSA-N 440.500 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1831397128 UPYVWCTYDFMEHR-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1831412314 KHASBXUNFKIVLH-JOCHJYFZSA-N 438.521 0.935 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1831421372 ILEIRRDSBWOKMI-VGOFRKELSA-N 432.521 0.809 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)c1 1831751074 ULAGSBAAYRXDRU-FQEVSTJZSA-N 443.485 0.802 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1832456031 HVEKCHPYDRCKBI-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783900 QFPQFDIOQYQLCL-IERDGZPVSA-N 434.493 0.230 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1833231891 AHZKVGABUWXMPW-FQEVSTJZSA-N 444.879 0.724 30 20 ICED COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(F)c1 1834009726 KCYAKHVAFKALGI-UHFFFAOYSA-N 432.452 0.503 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C)n1)CCO2 1834046188 HGEVSXAHWHQLLS-KOIKXXGWSA-N 428.489 0.318 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(=O)oc3)CC2)CC1 1834337725 SWSSZXWWUUZOEK-PLNGDYQASA-N 442.516 0.683 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccn4n3)CC2)CC1 1834968439 QLPSSKPUZCRTLU-KRWDZBQOSA-N 438.532 0.953 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(Cl)c1 1835124244 VSUQVLJYLCPZJI-LAUBAEHRSA-N 446.891 0.560 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1O 1835339795 TVNYTTKRLHZPSJ-JOCHJYFZSA-N 429.473 0.703 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)COC(=O)C(F)(F)F)CC3)CC2)CC1 1835687337 RQQKJGPGYWWQCR-UHFFFAOYSA-N 430.427 0.967 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COc3cc(Cl)ccn3)CC2)CC1 1835813941 QNAUBUDINCHLLQ-UHFFFAOYSA-N 448.907 0.773 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1837287528 SZRNLSCGRCQKSA-FYRLBUEESA-N 435.565 0.356 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837440984 KGLUFZDYBSUJHC-HLQTZPMBSA-N 433.484 0.762 30 20 ICED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)C(=O)O 1837884946 SWGUGCNMTYHGML-GOSISDBHSA-N 431.493 0.561 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838949694 PUJLEVQNWIHSOH-HSZRJFAPSA-N 426.517 0.970 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839222817 BOJMSJPPCJHXPU-XYPHTWIQSA-N 439.431 0.557 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839419979 GCZAWDCGBSXURB-NRFANRHFSA-N 427.436 0.815 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1O 1839472761 ORVYBUSVNUAWJH-QFIPXVFZSA-N 442.472 0.724 30 20 ICED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839767823 YDWMPDKGSFEDPM-ZHRRBRCNSA-N 432.448 0.549 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nscc34)C2)C1 1840044829 ZSCBUJXDPGUXRE-HXUWFJFHSA-N 429.454 0.454 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)O3)C2)N(C(=O)OC(C)(C)C)C1 1841650279 IGKIZJOQRMBWPO-GJZGRUSLSA-N 434.493 0.864 30 20 ICED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)c1ccc(O)cc1 1841892792 TYSXEECOMXWWDF-KRWDZBQOSA-N 438.484 0.644 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N(C)C(C)=O)C1 1843428555 ADCIKQXYXLOTQW-RDJZCZTQSA-N 434.537 0.973 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847328139 NEINTKIUDRYAGB-YVSFHVDLSA-N 432.521 0.631 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 57893949 YDHRBHATKZLFDB-UHFFFAOYSA-N 441.488 0.912 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CCO1 409574404 IRMKEYBWPJGQSU-UONOGXRCSA-N 429.296 0.391 30 20 ICED COc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1OC 410147217 IVFBCPJNDXPEGX-INIZCTEOSA-N 438.506 0.367 30 20 ICED C=C[C@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 426852756 CAOYOLXMOZVAQB-LLVKDONJSA-N 437.287 0.886 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 437060933 UTSPMVGUCQCBAS-PBHICJAKSA-N 425.507 0.647 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H]3COCC[C@H]3O)n2)c(F)c1 440167374 JADCYLGVIJXJPY-YXJHDRRASA-N 427.436 1.210 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)C2CCOCC2)cc1 441947000 GIPNVUQXUHFFSO-UHFFFAOYSA-N 425.507 0.432 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 443007216 MGLYLRNQAPAAQE-CYBMUJFWSA-N 436.519 0.156 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 444503925 FZBORUOTJHNQCF-UHFFFAOYSA-N 438.444 1.341 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 444569746 JQPLCFUBQUFMAA-UHFFFAOYSA-N 432.843 1.512 30 20 ICED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(NC(N)=O)cc1 446917988 HFDVLDMASDWOHO-CYBMUJFWSA-N 432.444 1.505 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C)c(C#N)c3=O)CC2)cc1 467209588 XPNNQGUSPPLYON-UHFFFAOYSA-N 444.513 0.960 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2c(C)cc(C)cc2C)C1=O 467683063 VJUOGXVEDQXVQQ-OTWHNJEPSA-N 449.573 0.981 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2)n1 471900609 GCKHWQZAQGFCAO-IPMKNSEASA-N 447.561 0.092 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 472668013 MGVDWRAZXBVKPX-JLSDUUJJSA-N 448.524 0.687 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OCC)n2)c1=O 477450388 SMQQLWJQKVGIPY-AWEZNQCLSA-N 428.514 0.544 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@@]2(C#N)CCOC2)c(O)nc1=O 478638060 IRQYBDGVOJQYDP-OAQYLSRUSA-N 448.524 0.899 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 478951733 CQACPXJRJMGJNC-ZDUSSCGKSA-N 440.485 0.354 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccccc2C#N)c1=O 489010783 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DZBPITGPACFEEN-LJQANCHMSA-N 436.534 0.819 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N=c1ccn(-c2cccc(F)c2C#N)[nH]1 525847568 JOWHBLSILZVVMX-UHFFFAOYSA-N 435.423 0.512 30 20 ICED CCc1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 539177468 HIAAISRYNQWHCL-UHFFFAOYSA-N 430.490 0.326 30 20 ICED N#C[C@@H]1CSCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 539330481 JJWDJAKLGXYWMV-MRXNPFEDSA-N 436.559 0.767 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2=O)cc1 539356725 JYVAXWQUNQSYSU-GJZGRUSLSA-N 442.394 0.897 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 558099362 SZMXMDKFKMGVBX-QGZVFWFLSA-N 435.554 0.446 30 20 ICED COc1ccc(Cn2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cn2)cc1 565790133 KIPOMBOIMIKFEW-UHFFFAOYSA-N 440.504 0.953 30 20 ICED CCOC(=O)CC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567269955 DODROOFUTQKACS-IBGZPJMESA-N 440.500 0.967 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(F)(F)F 569018661 MVNQNJWTEHLFPJ-ZDUSSCGKSA-N 434.444 0.607 30 20 ICED CN(C)S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)nc1 569962913 AQLDFVRIAYHYBC-UHFFFAOYSA-N 437.503 0.463 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 572795674 ICCOQVQDEKNJLY-LJQANCHMSA-N 432.484 0.914 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1 582315832 KELFYGLIKIVSKV-AWEZNQCLSA-N 443.547 0.325 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 589657145 WJDGUBQKQJLXSR-NRFANRHFSA-N 447.513 0.964 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccs2)c1=O 603797381 YJNHOZYHJMZWLM-UHFFFAOYSA-N 432.571 0.333 30 20 ICED Cn1c(CCC(=O)N2CCO[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 609269093 GUIUZIQEZKENAB-HNNXBMFYSA-N 447.517 0.278 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 610081203 LEDJMGALPLEAHM-MRXNPFEDSA-N 445.538 0.597 30 20 ICED Cc1cc(=O)n2nc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)sc2n1 729540233 YUWAARSYXHPWBR-UHFFFAOYSA-N 433.471 0.631 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1[N+](=O)[O-] 730253291 VLXNDHDLDBUAKQ-UHFFFAOYSA-N 447.432 0.941 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730722058 DAFAECPDFPUOTN-QSUUMFCUSA-N 427.490 0.489 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 731851205 LXHMPRQJGXNNSZ-JQIJEIRASA-N 446.407 0.783 30 20 ICED N#C[C@H](C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 732908515 NRDZOBMFBFABFJ-QGZVFWFLSA-N 438.527 0.305 30 20 ICED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 732909014 VUOTUGVKDDTVEX-HNNXBMFYSA-N 425.894 0.816 30 20 ICED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 746240092 VKLAHPDWQRELCX-MCQGMECGSA-N 431.537 0.742 30 20 ICED CN(CC(=O)OCC(=O)NCc1cccc(C#N)c1)C1=NS(=O)(=O)c2ccccc21 746556741 ZDRDKTDOWXTJHC-UHFFFAOYSA-N 426.454 0.799 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 749688967 VDIBUKFJRNWBBI-JRCVOMKHSA-N 449.533 0.565 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C#N 752197832 CCALGTMCQQAIKL-UHFFFAOYSA-N 439.432 0.903 30 20 ICED C[C@H](CC(=O)NC[C@H]1CCCN1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 753302381 QNBCPKCVXUPPJF-CHWSQXEVSA-N 428.536 0.044 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCCN2S(C)(=O)=O)cn1 753751354 AGMWAVKMXPRDCJ-ZIAGYGMSSA-N 442.567 0.395 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)OCc1cc(C#N)ccc1Br)c(=O)n2C 755521135 UGUNJIWHGVIWGK-UHFFFAOYSA-N 432.234 0.811 30 20 ICED C#CCN1CCC[C@H]1COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 756545830 VPYLDYBJSWPVJO-WMZOPIPTSA-N 442.559 0.409 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 757588706 BTNKDUOZUMBOEN-JQFCIGGWSA-N 426.477 0.982 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OC)s2)c1=O 758061168 WXUULUUQBCYDRP-UHFFFAOYSA-N 442.566 0.280 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758078820 BJZIMPZQGZBOGD-ZDUSSCGKSA-N 426.454 0.105 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CCC 766052316 OHJJNMRNWZZELS-UHFFFAOYSA-N 443.441 0.941 30 20 ICED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 771480755 GAKWHDOFSYFCQD-OGLOHFSISA-N 441.444 0.105 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 780048476 QSSVVIKLHRYMDC-MRXNPFEDSA-N 427.505 0.929 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCOC)c2=O)n1 794581591 IYNZNHNVNVAZQB-OAHLLOKOSA-N 443.525 0.849 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)c1cc[nH]n1 796871143 HGBNRNOGBKYTGA-LBPRGKRZSA-N 425.492 0.512 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 808328735 SHEPQHLOSRHSPM-JKSUJKDBSA-N 429.543 0.083 30 20 ICED COCCN1C(=O)/C(=C(\Nc2ccc(CC#N)cc2)[C@@H](F)C(=O)OC)C(=O)NC1=S 814336522 WBQRPFCRJGJWEF-JNINTMOKSA-N 434.449 0.819 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)ccc1F 914658819 HLQCWCFSCLSOEN-CQSZACIVSA-N 427.454 0.313 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)nc1 915778431 ZRYIRVBSCDBBCR-UHFFFAOYSA-N 441.879 0.710 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1208124191 NAOJMLZLIUSVMA-ZDUSSCGKSA-N 428.536 0.700 30 20 ICED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCOCC1 1288673892 WNVISPGDHPASGD-QGZVFWFLSA-N 439.520 0.728 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1288869594 IQARKWUSSWTXBF-YESZJQIVSA-N 439.586 0.882 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1288869874 LFLLISUJOHZTAF-YESZJQIVSA-N 439.586 0.882 30 20 ICED C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCC(F)(F)F 1318476504 XXAKKBHRGDNIPT-ZWNOBZJWSA-N 425.367 0.946 30 20 ICED C=CCn1c(Cc2noc(CNC(=O)NCc3ccco3)n2)nnc1N1CCOCC1 1321098931 RPEYKIBQVADVRI-UHFFFAOYSA-N 428.453 0.867 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1517670929 QDJXAZGXAVOPHG-OXQOHEQNSA-N 445.501 0.366 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)c2nccn2Cc2ccccc2)n(C)c1=O 1524677694 MPHVNYAHGOLMPE-INIZCTEOSA-N 431.456 0.945 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547730539 NGHHLEFMTDVSEY-XGHQBKJUSA-N 432.548 0.945 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1554658343 PSMMMCPQHXXNIF-NUEKZKHPSA-N 426.543 0.632 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1620150002 ZNHGWDPGYMEYMU-HNNXBMFYSA-N 441.579 0.887 30 20 ICED C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1706901948 MNCDRTQCTPDDKV-LIVBEALHSA-N 449.508 0.956 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1747538254 KGQNFNXWDHDTHH-MRXNPFEDSA-N 446.533 0.830 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1747974096 VEEPAPVRDHBMOT-UHFFFAOYSA-N 431.522 0.328 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1750208981 LJODSWKCEMEHQA-WBVHZDCISA-N 431.522 0.274 30 20 ICED CC[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766751408 OSQINROMWKMSHS-ZYSBOAIWSA-N 446.581 0.791 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779110006 XPSYWFSHGONOQU-BWBSXDKCSA-N 438.525 0.650 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)[C@@H]1SC(=N)NC1=O 1779137472 ZLZYJICSIWGWPD-DOTKXRJMSA-N 447.517 0.331 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n1 1779237118 QMZUZSUAMKOOKH-JOCHJYFZSA-N 438.488 0.630 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779395331 RCYHVWUNXHGNAP-JBYIUTFZSA-N 431.533 0.478 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1)C(F)(F)F 1780062768 QQMZSAXPZHOQEF-GOSISDBHSA-N 437.378 0.652 30 20 ICED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)CCC1=O 1781960937 BMWNDQWIPAKHNY-OAQYLSRUSA-N 427.436 0.749 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786348 ZWLTYPUURLYYOG-APWZRJJASA-N 438.506 0.541 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 1783486548 UMZKTPOIHXVGGJ-JHWSBEJJSA-N 449.548 0.607 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783682043 WHHVTEXBCKNKGM-VGWMRTNUSA-N 438.525 0.401 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)c1ccc(O)cc1 1784012876 DUUJZYJWZHOBHO-JXQFQVJHSA-N 439.512 0.855 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)COc5cccnn5)C4)C3)c2c1 1784459737 SQUJXSTXCUMZNY-QFIPXVFZSA-N 447.455 0.747 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1787409042 SEJUOEDHQGAXCE-CBVHJVASSA-N 445.495 0.666 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788293326 JRASTGBBQBUABF-SZMVWBNQSA-N 441.488 0.832 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]3C2)c1 1788531061 BQUYXESQFUWJLX-OBJOEFQTSA-N 428.367 0.585 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)C(=O)Nc1cccnc1 1788715789 AGZDZACICCSTGY-VKZSHUQOSA-N 439.472 0.712 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)ccc1F 1789907165 ADNRSOBMPSLXSB-XPYUAMARSA-N 428.464 0.356 30 20 ICED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nc2ccc(Cl)cn12 1790491707 ZTOKRGGCXGTYFC-BPUTZDHNSA-N 444.875 0.977 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792586561 SUFAEMPKIQEGPC-OPOADAIRSA-N 426.473 0.053 30 20 ICED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1792635057 MELOMHDDWNBIBM-FVCICTRLSA-N 437.493 0.982 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1793821080 GGNASWYRUFUODB-XOIINTDNSA-N 431.518 0.453 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794825818 MNKDXKJHWLPCNC-XMTFNYHQSA-N 443.504 0.596 30 20 ICED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)no1 1798693554 MWXBCMUJSJHSGK-HBCWATKFSA-N 426.433 0.415 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1799390199 HLLWHTZBKNXZAB-OAFZBRQQSA-N 433.509 0.525 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn3c1CNS(=O)(=O)c1ccccc1-3)C2 1801597818 MFPIVWKNFUOBQD-QDMKHBRRSA-N 439.497 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 1802058261 GDMMKIMBDHGXPC-BOLBYERCSA-N 449.548 0.871 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1802124715 GIUPPTBOVXKLLJ-ZMMAXQRCSA-N 445.520 0.389 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806275206 HCXLYNDFEYMTOH-BQFCYCMXSA-N 431.493 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSC(=N)N)[C@H]1c1cccnc1 1807000113 STMWDPKRTXKMLE-VKRNSVOSSA-N 430.534 0.572 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1808431708 INOXXOSFLHUNGW-RYRKJORJSA-N 430.461 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1810975239 ALZNJHIDUFFXIK-SXZZRKSZSA-N 425.445 0.953 30 20 ICED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811448971 HWMBKRXDXWCHAZ-ZPJHCNRGSA-N 437.504 0.956 30 20 ICED C[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815854738 WEBYDJNIGKUIPU-SFYZADRCSA-N 441.560 0.839 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1820894694 QRTNHOICQQMKCC-HIFRSBDPSA-N 434.497 0.504 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824904903 VHUPGGNDIYYPQA-QGZVFWFLSA-N 448.520 0.667 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)cc1 1829632228 VUZVOXSQRISMBR-OAQYLSRUSA-N 425.445 0.644 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829635807 PVVJPNVHVFRMSS-QFIPXVFZSA-N 444.488 0.303 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nsnc1NC)CCO2)C(F)(F)F 1829759050 QWPHVOKODDCNHM-OAHLLOKOSA-N 435.428 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829789739 BCSJKWMZPXLBPL-RMUOZIPVSA-N 446.529 0.299 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165788 RWSAEGBEFZHOEX-DLBZAZTESA-N 437.537 0.722 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1831186863 DCUOWLPQJNAIRS-UZUQRXQVSA-N 442.516 0.851 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831217895 COOLLMNFYAXNBC-XMMPIXPASA-N 442.512 0.931 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1831387612 RGHHIGGNXURMCC-JPYJTQIMSA-N 445.516 0.518 30 20 ICED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831512371 OZSZUVXJRVAOLX-JXHRLWIKSA-N 436.549 0.548 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831589612 VYDILQRNRPFQPO-VWURUGQESA-N 439.484 0.864 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831630553 SYILXEFEBSJBJN-AOMKIAJQSA-N 433.480 0.979 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1832448351 VMKRCFBGNQVTHG-LJQANCHMSA-N 429.608 0.411 30 20 ICED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1832912756 PQCQAIDUQIQGHU-JOCHJYFZSA-N 428.489 0.783 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833149618 ZCBRIBIZFNJWOH-UHFFFAOYSA-N 428.493 0.910 30 20 ICED Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834214865 QPDMBZXXALASQD-UHFFFAOYSA-N 429.569 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)C)on1)CCO2 1834492552 RHSGKWZSKDWKEZ-QJKPHDSHSA-N 446.504 0.726 30 20 ICED Cc1ccc2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)sc2c1 1834567200 BDKOVFAFBBFGFV-OAQYLSRUSA-N 443.481 0.763 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834711575 GKPSAIVYQIJYMT-HRAATJIYSA-N 439.509 0.501 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC5(CC4)OCCO5)C3)C2)CC1 1835346705 QIHCJLQCWPUMRN-NRFANRHFSA-N 433.505 0.680 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)ccc21 1835357204 KLWFAOYTJCYQMP-JOCHJYFZSA-N 441.488 0.251 30 20 ICED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513233 MYRJXYPTJHHOCL-IBGZPJMESA-N 447.624 0.934 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1)C(F)(F)F 1836084266 GIMNZEXEQOUVEW-MRXNPFEDSA-N 434.440 0.964 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1837393508 SZYIYMYOBUVQLD-VGSWGCGISA-N 433.505 0.733 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837491097 USFSQIFICOJNQQ-HSZRJFAPSA-N 446.500 0.541 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837524142 AAEPIZPOSYJBKB-WCNTUGILSA-N 449.508 0.328 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524955 JTAGPQHRVIWMSD-ODSDJFLOSA-N 427.498 0.397 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)ccn1 1837977447 IOWRMYSDMFXDKP-SGCYSOCQSA-N 445.520 0.632 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)CC1 1838764344 HDSDEFLMRTXZJG-FQEVSTJZSA-N 428.485 0.677 30 20 ICED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773783 AXRGXEPQEDPHLX-OALUTQOASA-N 446.500 0.828 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839173936 WLJMXMLHJRNMNS-GOSISDBHSA-N 448.419 0.062 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1839176155 YKFAVECVEURDOO-UWJYYQICSA-N 434.493 0.410 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839354982 FBTBDIKABQPNNR-BTYIYWSLSA-N 449.435 0.842 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839491679 VSVOHVLXMBZBKD-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559524 MPYHOQLFYRAQIB-VGOFRKELSA-N 426.473 0.443 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)C2)C1 1839809808 MKPYEOKABNGUDF-JTSKRJEESA-N 435.521 0.936 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840141637 NAHPJKBRCCTFHQ-DRSNIGMVSA-N 431.489 0.502 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497713 QWVRXXQNKIGHIW-KKSFZXQISA-N 434.493 0.587 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)[C@@H]1SC(=N)NC1=O 1844300653 UPALVMBYQFMKIJ-JLTDPJCTSA-N 437.522 0.521 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197065 OYNDQZACVSQBSQ-IVZQSRNASA-N 431.489 0.925 30 20 ICED Cc1nn(-c2ccccc2)c(COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C#N 19181297 YJMPVNLIQRRXFO-UHFFFAOYSA-N 433.428 0.543 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)C[C@@H](C)O1 30592578 TXQMVQYIDRANHX-HDICACEKSA-N 441.598 0.643 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409543512 HVOPVJVSOHAEPS-INIZCTEOSA-N 428.536 0.207 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 434744505 DPLWZBZJMDHQCB-UHFFFAOYSA-N 428.493 0.346 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 435601234 KUMKFYQBLGAAGQ-CRAIPNDOSA-N 430.548 0.967 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 436122322 JBRCOIWINGSPMJ-LJQANCHMSA-N 432.546 0.623 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 446766934 BKUSLTDRLQHEMW-UHFFFAOYSA-N 447.455 1.540 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 446767391 VERDUZHWKRGIJM-UHFFFAOYSA-N 439.400 0.588 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC2)n1 463782633 NGLBZNVAADKCOE-UHFFFAOYSA-N 447.499 0.172 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)n1 471666535 BLLVKXGBNPNORO-FQEVSTJZSA-N 440.548 0.481 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)c1C#N 471682200 FWTAWXNWQGCJAN-UHFFFAOYSA-N 434.497 0.757 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)n1 479357245 HNTUDVIGVGIXIF-HNNXBMFYSA-N 440.525 0.475 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2CC)CC1 480296649 YZLXQLFNGQMNFI-UHFFFAOYSA-N 426.542 0.605 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 482508999 LHIUXZWJKVRNSK-CWTRNNRKSA-N 433.490 0.062 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 484389196 AEGXUZQLRLEIQQ-INIZCTEOSA-N 434.518 0.655 30 20 ICED C[C@H]1CN(C2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)CCO1 492848908 ZTRODUGXAKYXOQ-INIZCTEOSA-N 437.504 0.848 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)c(F)c1 502044707 DFOLZAYEEJQTFW-UHFFFAOYSA-N 441.488 0.346 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1nnnn1-c1ccccc1 502151396 GFBLAZZCYPPEBC-OAHLLOKOSA-N 431.460 0.455 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4nn(C)c(=O)c5ccccc45)n3C)CC2)c1C#N 508193071 WDVINXFIMLBQOS-UHFFFAOYSA-N 444.503 0.969 30 20 ICED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 508915492 XJTSBXUQWZKLJE-OAHLLOKOSA-N 434.522 0.991 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n(CCC#N)n1 532608431 KEYWCBKQMANNNN-IBGZPJMESA-N 449.515 0.993 30 20 ICED CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543005498 SSRVABPLTMJBNN-UHFFFAOYSA-N 442.451 0.965 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCCCC3=O)C2=O)cc1 553619514 XZYWGJIDIPIJHZ-GOSISDBHSA-N 425.489 0.689 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)c(C(N)=O)c1C 555039695 GBPBNVDHABJFBV-UHFFFAOYSA-N 425.424 0.490 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 555249463 NZSWWUPVBOXZIK-HOTGVXAUSA-N 441.602 0.501 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O 555776067 BOUKDEGCRUGUAN-UHFFFAOYSA-N 430.486 0.872 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)c(Cl)c1 560915303 JNKIIHHTSBMXNF-UHFFFAOYSA-N 441.879 0.196 30 20 ICED N#Cc1ccncc1N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 567667629 ZHKPKPCBUZTFKP-UHFFFAOYSA-N 442.545 0.472 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 574930080 HREDCUGIIHONLR-LJQANCHMSA-N 428.514 0.854 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 581327163 OIMGKHRAGSFLNT-UHFFFAOYSA-N 447.561 0.383 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603795870 MJWXXQYLYXKKME-UHFFFAOYSA-N 442.497 0.836 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603796588 KLZUADCSYSCHML-UHFFFAOYSA-N 444.532 0.410 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)ccc1F 609220948 VOGMOKLUPXXQDL-UHFFFAOYSA-N 428.489 0.405 30 20 ICED N#CCCN(C(=O)CCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 609421112 PKKSLTBIHBNCKF-INIZCTEOSA-N 434.518 0.523 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)c1ccccc1Br)c(=O)n2C 609593812 JOXRGJALOCUNIT-GFCCVEGCSA-N 431.250 0.577 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O 613853748 JFGXSEMNPUYWDU-UHFFFAOYSA-N 442.428 0.569 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O 623214599 GPSJFRPUSUGFPX-ZDUSSCGKSA-N 441.444 0.186 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 729257232 XIAPJDORMRMEPP-UHFFFAOYSA-N 425.489 0.962 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(OCCCC#N)c2)c1=O 729672933 PCFRTPYLLIUZLP-UHFFFAOYSA-N 442.522 0.664 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673641 ZBWWJQRQPXLIMB-UHFFFAOYSA-N 447.582 0.544 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)c1 731753189 CDXJWQNTMCHNDP-HKWRFOASSA-N 445.567 0.949 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN([C@@H](C#N)C(C)C)CC3)C2=O)cc1 731846579 JREACBJVUMJUQN-PGRDOPGGSA-N 442.520 0.659 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795682 SHGOWCGGNHQZTM-UHFFFAOYSA-N 429.546 0.919 30 20 ICED Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cccc1S(=O)(=O)NC1CC1 741095221 GWJRKWLDTGSGKY-UHFFFAOYSA-N 442.501 0.869 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2csc(CS(C)(=O)=O)n2)cc1 744633313 JDFGLLGSCAMPQZ-UHFFFAOYSA-N 428.513 0.956 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 745356757 MUHNKLAEIYXLSV-NSHDSACASA-N 437.478 0.967 30 20 ICED COc1cc(C=NNC(=S)NCCCN2CCOCC2)cc(Cl)c1OCC(N)=O 745985281 BGXDNILBDIBCMD-UHFFFAOYSA-N 443.957 0.733 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cc1 746788556 FURFAAVOQWNGPX-PUAIJGIWSA-N 435.506 0.223 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 747993874 SITAMIYJTHCNAZ-UHFFFAOYSA-N 425.894 0.670 30 20 ICED O=C1C(=NN[C@H]2CCS(=O)(=O)C2)c2cc(Br)ccc2N1Cc1ncon1 750910194 JOZWLEZPQLRVCQ-JTQLQIEISA-N 440.279 0.860 30 20 ICED O=C(O)Cn1cc(/C=C2/CN(c3ccccc3)C/C(=C\c3cn(CC(=O)O)nn3)C2=O)nn1 759075576 HUFYUUOFHQEQEK-GEMWTQJRSA-N 449.427 0.595 30 20 ICED C[C@@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCCC1 762725018 MKXYLSDYSDAGNP-QGZVFWFLSA-N 431.537 0.673 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@H]1CCCO1 773796132 KNCZDLGIGSKRAM-DZGCQCFKSA-N 428.894 0.999 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 783348199 YWIIDEWWRXEILO-UHFFFAOYSA-N 442.501 0.773 30 20 ICED N#Cc1c(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1S(N)(=O)=O 784561236 WNTTXWVYYIZFOT-UHFFFAOYSA-N 436.515 0.839 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 793041053 IUTZMYLIXWIWDW-GFCCVEGCSA-N 444.263 0.945 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795189048 ZNUQWVPQXGRGRQ-YOEHRIQHSA-N 443.573 0.796 30 20 ICED COC(=O)CCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 808965249 LHLLAZGNIXCJFU-RCCKNPSSSA-N 440.478 0.439 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cnc4sccc4c3=O)CC2)o1 915367710 PZQRZFCSMUPMPQ-UHFFFAOYSA-N 442.457 0.518 30 20 ICED CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916867735 GGCLRYYMQLQVEL-HOTGVXAUSA-N 440.522 0.944 30 20 ICED N#CCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1330677344 CIHILXWFPNRHAP-SFHVURJKSA-N 441.575 0.653 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1503108161 FHPIYMRPKJYAAP-INIZCTEOSA-N 425.559 0.319 30 20 ICED CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1503261014 KMLNKWZRHGCJDI-YOEHRIQHSA-N 433.490 0.954 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1508214736 IPABRKDBUCWVJR-BXWFABGCSA-N 438.529 0.881 30 20 ICED CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1750001376 KRWUBUOUDWCGFU-UHFFFAOYSA-N 445.549 0.718 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)C1 1765673621 YUENKWDFBUXIQP-KRWDZBQOSA-N 445.549 0.813 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1767485418 VSQMKSIQSFYVCU-UWJYYQICSA-N 434.541 0.770 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778161704 JXPIZKICCYISPY-GAJHUEQPSA-N 442.516 0.761 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017175 COCLQJAABJIULF-CPOKCXMASA-N 432.525 0.445 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779103875 CPWCYNGJYZAZTD-PJEAMWHTSA-N 436.425 0.290 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1780169764 XILDJBPQPUEWOV-NRFANRHFSA-N 428.445 0.463 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950568 VOERMMAOFZITSK-YGPNGPECSA-N 439.520 0.573 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)CCO2 1783053050 UMMKBMYZGSROGB-GOSISDBHSA-N 425.894 0.788 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783123401 BSYOFTIMROOCCR-RZQQEMMASA-N 440.566 0.522 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@@H]21 1783531114 DBZLAUHMJRLKEF-SZWKITOBSA-N 429.521 0.434 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)cc1 1783604378 PMSLCOSDAYHTFF-LWYYNNOASA-N 445.541 0.658 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1783855308 NXKQIYRMHSJLQX-LTGXQSTOSA-N 447.532 0.654 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1783890405 YNFRGMBMADXHQS-IXAFZWLNSA-N 435.546 0.314 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1784740817 MJBVYVJTNVRQGJ-OAQYLSRUSA-N 433.530 0.755 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1785079933 PTLROFOZWZKBQC-YBOAYWMSSA-N 427.505 0.350 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1785383118 KLLJOTKGFXCAKR-RXVVDRJESA-N 447.513 0.344 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1788577675 YQUYBXXBDOOGOA-CADBVGFASA-N 429.517 0.952 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c(O)n1 1794489288 SZLBHKUUGLXKBF-UPHUGPLXSA-N 444.532 0.441 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795604962 VLONDSNCVZRDPW-VXIBKDFQSA-N 428.537 0.753 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])c1 1796404702 AZVGSXJFEMZDMQ-JJLQDPRZSA-N 428.380 0.846 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1cc2n(n1)CCCNC2=O 1797322851 RBZWJDWOACMOOX-OPMZPASUSA-N 447.495 0.272 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797710000 DTTKLVVVXXUOGO-LUYSREMJSA-N 427.545 0.864 30 20 ICED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/N2CCCCC2)C3)CC1 1797934451 OATYNIMSANGEIM-RGSMWSOWSA-N 432.569 0.260 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798599967 VXNXBVVSTYRJQN-XOIINTDNSA-N 426.433 0.185 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c(C#N)c1 1799240713 GNLUGMOGVDWDRJ-VPTLXERWSA-N 447.513 0.517 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c(C)cccc12 1800068689 WVDCTSTZPHOLTJ-RHNHGDFNSA-N 437.500 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1F 1801972770 WPHOIMNJXDIQRA-JLRLZTEKSA-N 433.455 0.955 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2noc(C)n2)[C@H]1c1cccnc1 1802478797 VJUZXAUGSPAWKS-WJBDPIGGSA-N 438.488 0.880 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804170244 HCXXBINCQNPNHI-MPGHIAIKSA-N 431.518 0.605 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809679155 QWNWVJKPFJYYLG-NFBKMPQASA-N 425.533 0.665 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810220766 UJXRSTOHTDZAPV-QAPCUYQASA-N 425.493 0.245 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSCC(=O)O)[C@H]1c1cccnc1 1813083542 DTFYXXFWHCOGED-BDGDHSELSA-N 446.529 0.764 30 20 ICED NC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1814226332 OEYLYEHMSJWNTC-YLJYHZDGSA-N 427.505 0.454 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC#N)sc2C1 1814497441 WEKKYMKUSCCCHV-NWDGAFQWSA-N 427.490 0.967 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)[C@@H](O)N1CCOCC1 1819446297 MVSPDRSNDUGFKJ-SAKJISMLSA-N 447.540 0.524 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477451 AKHFMPRQOZVSQO-DDMNRJSTSA-N 429.481 0.707 30 20 ICED Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/N2CCCCC2)CC3)n1 1819556270 DNVPWKYNDXMERM-OVMKCGGTSA-N 445.553 0.860 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1823086129 XPPFDJPIMXZJDF-VFVRVIDISA-N 439.538 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCS(C)(=O)=O)CC1 1823749309 HSFWXBPBDGZUMH-ZEVQVBBLSA-N 439.578 0.899 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826871567 HHEXIPQGDHLDAB-SFHVURJKSA-N 431.585 0.728 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cnn(C)c3)sc2C1 1826933244 MGHVMEFFYYLPCK-AFNCTOJWSA-N 428.518 0.890 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828881805 HUAKJJDTRKQVES-IAGOWNOFSA-N 445.497 0.904 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1829266788 FGZQSEDZSHIVGC-QFIPXVFZSA-N 426.473 0.337 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1 1829635780 OTIDJSZBKHMDJS-XXBNENTESA-N 440.500 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1829765440 XDAHXYRFEJOZFT-QEVIJRNUSA-N 447.513 0.489 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)ccc3F)C2)C1 1829768593 BTJIHUVEVJNITB-LXHZQTKUSA-N 449.454 0.893 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1831274274 BDCQDCBFUXEBCO-NRFANRHFSA-N 437.613 0.630 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1831396354 KQKXKPDNGNEVKX-LMNJBCLMSA-N 440.562 0.741 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1831402103 NYZCJPBTRYQIEJ-UMQOZUHOSA-N 428.485 0.900 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1831410578 CAJWLTQCTQXAFQ-GHTZIAJQSA-N 435.525 0.353 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1831411030 KBVVYOAYQMXJOG-PGRDOPGGSA-N 439.553 0.730 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831414134 RLHFNYNYRHKCOT-SFTDATJTSA-N 442.509 0.041 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831497821 HKVAKXPKJVSPHB-PZJWPPBQSA-N 438.594 0.990 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832043849 DPXXRWTXFHDPFS-FDDCHVKYSA-N 447.532 0.866 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833463400 JTWMFDOTSVIUJU-KRWDZBQOSA-N 443.548 0.610 30 20 ICED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833491517 OFTBCRMITCIDBG-SFHVURJKSA-N 443.683 0.996 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1833705887 ZUFBNKGKNRXIQJ-UHFFFAOYSA-N 437.654 0.725 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n[nH]1 1833824419 NKJGKTVHDSJQKU-JOCHJYFZSA-N 437.456 0.868 30 20 ICED N#CCC(=O)NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1 1834403067 KSVRONNWMQLHQP-UHFFFAOYSA-N 430.465 0.242 30 20 ICED CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717244 UOYLIXTVBNNZEF-UHFFFAOYSA-N 434.585 0.366 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835374608 CWBDVAICVFCPPD-JOCHJYFZSA-N 435.569 0.211 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835768748 DMFXOCCWAMOFPW-WQZUMXOESA-N 448.524 0.830 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164465 IAGMAGIUTUXECC-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1837396057 ATNHINUCXHSSDB-UWJYYQICSA-N 437.493 0.464 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1837398754 HGLDBRUBDPFCEA-HOIFWPIMSA-N 447.536 0.307 30 20 ICED O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560190 SFEGKUDLBJPVIC-IQTGRTGDSA-N 429.477 0.511 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837560298 VCSWEOBAPDTBKW-VVVXBWJPSA-N 447.532 0.954 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837868971 SLMYOPGJRHXLDF-UHFFFAOYSA-N 431.541 0.559 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1838642493 SHLYEYHNQLQZSR-INIZCTEOSA-N 448.524 0.742 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(F)(F)F)C2)C1 1840041333 GWUMUBBHGULHMS-GOSISDBHSA-N 441.362 0.258 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840163687 MEBVXNFJGDBTEC-RNODOKPDSA-N 432.502 0.724 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840168913 XVQFHTUVEQGLIJ-FQEVSTJZSA-N 429.502 0.960 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840906586 GCJDJFHMRVTJHU-KKSFZXQISA-N 434.493 0.273 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842188202 QARDEDPCMYEJNA-WAYWQWQTSA-N 432.502 0.161 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)COc4ccc(O)nn4)C3)c2c1 1845772965 BRMSQHRIPBNNQQ-UHFFFAOYSA-N 433.428 0.826 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846410298 LBAYSMHXTZMMDB-OPAMFIHVSA-N 435.521 0.600 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1sccc1C#N 18392721 YOOSUZQVOVUVKH-UHFFFAOYSA-N 438.487 0.775 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCS(=O)(=O)CC3)nnc12 110739469 YOCRZSVAUZXVMR-UHFFFAOYSA-N 433.515 0.579 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccnc(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)c2)C1=O 410115358 KXBDPVUCNTWXSN-OALUTQOASA-N 439.516 0.799 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)nc1 432982210 FXSJXABRQURSAO-KRWDZBQOSA-N 425.449 0.694 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)n1 436697007 KXNUCZJTNYZKQU-UHFFFAOYSA-N 436.403 1.073 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1=O 440276744 AONZCUBXJBBLRH-SFHVURJKSA-N 428.489 0.272 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cn2)C[C@@H](C)O1 446432077 FKTAWZJLZABQNR-IYBDPMFKSA-N 442.476 0.993 30 20 ICED CNC(=O)N[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 466935665 WPYSGMKCVZGEGE-AWEZNQCLSA-N 427.465 0.458 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(C)C 479401783 YOLHXPLZDSRPSC-AWEZNQCLSA-N 430.530 0.624 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2ccccc2Br)C1=O 484013317 KXNQNGBBYOWBLC-LLVKDONJSA-N 440.250 0.282 30 20 ICED N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 488824198 OEWUHGIHRNMZAG-UHFFFAOYSA-N 428.423 0.862 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)NCC=C)cc2)CC1 491155098 IZWKCYGBZMLKST-UHFFFAOYSA-N 428.493 0.379 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 501839163 JXEWXVPRKISGQX-CQSZACIVSA-N 443.485 0.310 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)[C@H](C)C1 509012289 PNCFXHQHKGJCKK-KFWWJZLASA-N 427.527 0.432 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(Cc2cccs2)c1=O 512762365 RESBTRQOLVLZGY-UHFFFAOYSA-N 443.554 0.502 30 20 ICED COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1N1CCCC1=O 515394611 LZDYSZAEEKETOT-UHFFFAOYSA-N 425.449 0.686 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 523743694 CWPYCFCAZQWEIP-OAHLLOKOSA-N 445.541 0.609 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 530520175 UKIHRWOOVYGFPC-UHFFFAOYSA-N 438.897 0.950 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 538168169 QUOJEOVPRHNLKQ-KRWDZBQOSA-N 432.521 0.599 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 539649744 SOGHZFWHVVLUCU-UHFFFAOYSA-N 444.488 0.459 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542005548 NAUYZUAXHCUCCD-UHFFFAOYSA-N 432.483 0.427 30 20 ICED C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549601190 GBSBRFRSTHCZKC-UHFFFAOYSA-N 442.520 0.740 30 20 ICED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 549637742 JJXBXCUPEPFADE-UHFFFAOYSA-N 432.510 0.895 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 564216377 XHMAUQIHLKXBCO-FUJBLVTHSA-N 434.566 0.445 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 565766904 CQNKCUHBEHNRSJ-AWEZNQCLSA-N 430.446 0.853 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C2)nc1 573788997 HQJXKTFUJWGLTO-HNNXBMFYSA-N 431.474 0.596 30 20 ICED CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC(=O)NCC#N 577924866 NHWSJMYQSCDIJR-QGZVFWFLSA-N 434.543 0.996 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(F)c2)c(=O)n1CC(N)=O 579073280 QDVSZZZDENUMMQ-UHFFFAOYSA-N 446.504 0.352 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1 580649251 HMVRFTNFWOFUEL-ZDUSSCGKSA-N 425.413 0.671 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 581570227 NAXGUQGCHAQQMO-IBGZPJMESA-N 437.500 0.389 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(CCC#N)CC3)cc2)C[C@@H](C)O1 611176083 TZSSHFANZKZJBR-HDICACEKSA-N 449.577 0.954 30 20 ICED NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726800392 LFYDOYNASRGCGZ-QGZVFWFLSA-N 447.561 0.446 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2I)CC1 728572946 GQGQQVHCRJMATR-UHFFFAOYSA-N 440.285 0.597 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O 729673611 XQANJPVXUDLFEU-UHFFFAOYSA-N 433.555 0.292 30 20 ICED O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccc(F)cc1 732466879 SNZYXMSUIGEBRC-FMQUCBEESA-N 444.467 0.618 30 20 ICED NC(=O)C1(c2ccccc2)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 734450772 DLOJRDLDRZEXDA-UHFFFAOYSA-N 426.498 0.771 30 20 ICED N#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(N)=O)cc1 734562758 UHCAKWSWPBTVQW-SFHVURJKSA-N 429.454 0.963 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 734564947 FXODYBPWUOBJSO-LJQANCHMSA-N 446.485 0.520 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 734570780 KKHWXFAVOZKWBA-GOSISDBHSA-N 444.469 0.308 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 739138267 HXKYJPIVNBGGLL-UHFFFAOYSA-N 427.442 0.072 30 20 ICED O=C(O)CCNC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 746358582 KZZVXGGMKXDGEU-UHFFFAOYSA-N 444.469 0.958 30 20 ICED CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CC(=O)NCc2cccc(C#N)c2)o1 746513154 SVETXVHJDFEKNW-UHFFFAOYSA-N 425.488 0.633 30 20 ICED N#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 749604296 RVTCWGBFXXGZNR-UHFFFAOYSA-N 435.243 0.565 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 758049449 DQASHDIAWZBILO-UHFFFAOYSA-N 435.505 0.830 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758077417 PVIMRKYGRXYQKF-UHFFFAOYSA-N 445.447 0.506 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1 759066244 VXTOERLREPVIRN-OCDBCJEZSA-N 444.517 0.835 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCS(C)(=O)=O 761855512 OGXVTTPBWBLSDR-CQSZACIVSA-N 433.555 0.776 30 20 ICED C[C@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)NO1 765380280 ZKFQMJGNHGTNBR-GXFFZTMASA-N 437.927 0.660 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 766988001 GMAXLZLWDBIETO-HXPMCKFVSA-N 434.474 0.872 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O 767672912 AKKAZLNYTCDWPP-GUYCJALGSA-N 431.474 0.697 30 20 ICED CN(C)[C@H]1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc2)C1 773199029 KZUASFNSRXPLDW-HNNXBMFYSA-N 428.518 0.899 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)c1 787124273 MUBHPROMANEWOD-LJQANCHMSA-N 426.521 0.361 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 787257109 BDQSUKXOIIUPGA-UHFFFAOYSA-N 444.499 0.885 30 20 ICED COC(=O)CCc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788338035 FQUMZKZHMMCPCC-UHFFFAOYSA-N 438.488 0.993 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)N(CC#N)c1ccccc1 789116207 CTPGLHZYCVGYEZ-HXUWFJFHSA-N 428.445 0.702 30 20 ICED COc1ccc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(C)C 798739845 CVQODKDKHLLCSD-LLVKDONJSA-N 436.450 0.152 30 20 ICED C#CCN=c1nc(N(C)[C@@H](C)C(=O)NC(C)(C)C)[nH]c(N(C)[C@H](C)C(=O)NC(C)(C)C)n1 804623831 XEQZBPDDZFULHV-GASCZTMLSA-N 446.600 0.817 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1C 804987307 SYTKPDUULQZYRM-UHFFFAOYSA-N 445.501 0.985 30 20 ICED COc1ccc(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 807783502 PFWRLPYGVDEGDX-UHFFFAOYSA-N 448.423 0.613 30 20 ICED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 808028829 GXBKOBAPUMDYTB-JKSUJKDBSA-N 428.493 0.585 30 20 ICED CCOCCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809503059 WZTBBATXAADNRA-UHFFFAOYSA-N 430.505 0.964 30 20 ICED COc1ccc(C[C@@](C)(O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 812038045 FJBZVCOQXQRHTB-XDSRXIPYSA-N 432.477 0.823 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC 812277449 VWUVSKWTIOJLOC-UHFFFAOYSA-N 439.488 0.647 30 20 ICED C#Cc1cccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 844143666 FLTMKWWUOGFWPN-KRWDZBQOSA-N 443.481 0.990 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCOC 916200781 PXRVKBXPSWPDGG-UHFFFAOYSA-N 433.505 0.741 30 20 ICED COCCN1C(=O)c2ccc(C(=O)NCCNc3ccc(C#N)cn3)cc2S1(=O)=O 917099272 PDELBCUKUYZUEJ-UHFFFAOYSA-N 429.458 0.586 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 919132779 XWXRILQZZBOPNL-FVRSWCFKSA-N 425.511 0.561 30 20 ICED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)n(C)c2n(C)c1=O 920606279 YXIWBEQAJSTJKO-UHFFFAOYSA-N 441.469 0.987 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1299302779 YMJYOFBZPKWSSD-GOSISDBHSA-N 436.469 0.707 30 20 ICED CN1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503682810 YEZRIACOGUYSOI-WIYYLYMNSA-N 444.561 0.755 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1507853567 JWOPWLCJPBBCGZ-LBPRGKRZSA-N 444.924 0.897 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1517670927 QDJXAZGXAVOPHG-OXJNMPFZSA-N 445.501 0.366 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1541927514 LSRAANBOYSXBAI-YVEFUNNKSA-N 429.522 0.635 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1554356455 MLLLETCEBGABJC-JOCHJYFZSA-N 439.520 0.178 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 1561531780 QYJLZDVSNLKTBO-DLBZAZTESA-N 425.532 0.403 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCC(=O)N(C)C)CC2)c1C#N 1612470635 UOHUKDVNRAVVJF-MRXNPFEDSA-N 441.540 0.501 30 20 ICED Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1 1629027751 RNWIJYACSXQQRU-OAHLLOKOSA-N 425.445 0.267 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCCC1 1692763349 NKCCAVUKTYUZGZ-ZIAGYGMSSA-N 446.599 0.984 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCC2)c1 1696622328 VDMUNHVBXXVDCB-INIZCTEOSA-N 446.533 0.839 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1707826941 ZIMGXQNEDLNPSI-GOSISDBHSA-N 438.533 0.910 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CCO1 1712883744 YFOVFSKFSBPXEO-MRXNPFEDSA-N 426.481 0.376 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1722555895 NFVSRCGVKKCLIM-HUUCEWRRSA-N 432.978 0.894 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1741919996 FHCKHQBSNKLYNH-RDTXWAMCSA-N 425.559 0.085 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1750381927 KWCVZRZIKYJSPK-AWEZNQCLSA-N 431.403 0.839 30 20 ICED Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751962247 VTYLIEJCLKGUFH-XJKSGUPXSA-N 448.553 0.718 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)NC 1763745476 LKOUSWFMHBXZFD-HNNXBMFYSA-N 432.554 0.934 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778849998 HXLXVSSMTLBEAF-NNMXDRDESA-N 437.585 0.549 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1778968372 RLNAYMZVZFTSRX-HTAPYJJXSA-N 432.521 0.538 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779019647 SGQFUCZEZSXLSC-OVRHDEQLSA-N 425.493 0.645 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779946974 DBWCEQCSJLGGCA-VLIAUNLRSA-N 432.502 0.791 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1780105175 RLPUVKKTSZOBPB-QHCPKHFHSA-N 446.467 0.891 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1780807375 PJKXGVNCLTUYRO-PDSXEYIOSA-N 446.508 0.504 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4Cl)C3)C2)CC1 1781970907 KJESRPYYRZAKTE-QFIPXVFZSA-N 445.951 0.903 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809130 UYUUWJAQPDCHCC-RSEQLOHWSA-N 437.540 0.865 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1783054321 GQBZZVHTZKDRDI-IERDGZPVSA-N 433.505 0.476 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1783136187 QWXJLZWPKJNVEH-DENIHFKCSA-N 438.488 0.743 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1783563605 VASSBIBQNKBJSQ-IBGZPJMESA-N 427.373 0.003 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C#N 1783567842 CQHXXCBUXHWHNX-QFIPXVFZSA-N 425.441 0.877 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1783769810 YHMSVRDBOWOGAG-IERDGZPVSA-N 448.524 0.577 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)CCO2 1783923517 JMTWPGCKVNSVGG-KKSFZXQISA-N 439.509 0.849 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC(=O)NC)[C@H]3C2)c(O)n1 1784408163 JMPGWNNLUIWIHZ-WBAXXEDZSA-N 430.505 0.635 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784503547 DALZTNZWPYMEOG-QWQQUQAHSA-N 440.493 0.052 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1786564322 TZBKFTGGXFKKAI-ULQDDVLXSA-N 437.418 0.696 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1787510980 SOJJTCOLJRIGCB-OZZMQFRTSA-N 429.502 0.758 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512666 VDPHPEUUTQDMQC-FBAXNIALSA-N 448.545 0.060 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788732394 WXJHSLNUCZAWHS-VJANTYMQSA-N 444.532 0.305 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)n1ccccc1=O 1788748486 SIBZIGZCDNHAFC-XWSJACJDSA-N 443.548 0.671 30 20 ICED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789223986 MNGSAGJNYFYFQU-ZROHFVPJSA-N 426.473 0.691 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cc1ccccn1)C2 1792491298 IYEUFZPDWJDVBX-AULKTGFLSA-N 426.517 0.708 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)cc1 1792630146 VKCJQZVCNMTVLF-HGKCTWBKSA-N 433.530 0.908 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1792893792 KOILEMPVONXRPC-WOALTGMDSA-N 425.551 0.920 30 20 ICED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793744056 MXOMVQQLTRESIY-JHDGKUDLSA-N 426.517 0.949 30 20 ICED CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)no1 1793997519 FMSIFRGBXFMFNC-JLVBRIDZSA-N 432.525 0.607 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c1 1794365888 ZJSNMGYLBYHXOT-UPHUGPLXSA-N 449.467 0.882 30 20 ICED COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795416750 MDLAXTJBMKGCRR-UPHUGPLXSA-N 440.500 0.661 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c(Cl)c1 1795441247 ILKOENBKHUJQKI-CWPLJXCYSA-N 432.908 0.747 30 20 ICED 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)N(C3CCCC3)C1)C2 1797707202 ZYUITXOHMKLXPX-DNMVWIPKSA-N 447.576 0.940 30 20 ICED C=C[C@H](O)C(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 1797707758 ZAIMOWHIHKFUHF-DACLVMHWSA-N 448.520 0.939 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC(F)(F)F)cc1 1799495563 ZLRFAVBOJFUGJH-FVCICTRLSA-N 426.347 0.876 30 20 ICED CN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1799882648 GDWMJILVBHXMLI-XEMDLRDOSA-N 436.516 0.980 30 20 ICED 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)CCC#N)C2 1800736731 MBPVKYYSDLVDPL-DVSXHRITSA-N 432.521 0.993 30 20 ICED COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cc1 1802230862 ONTCPAIKKGHIGT-HGKCTWBKSA-N 427.457 0.745 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2nnc3ccccc32)[C@@H]1c1cccnc1 1804020513 QQDAFPOLEGTBIN-ZHRRBRCNSA-N 432.440 0.620 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814575517 XHAVSECMUORVMP-HOTGVXAUSA-N 433.578 0.731 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cc(C)c(O)nc2=O)CC1 1824494926 DRDOZASBNLAKTG-IEBWSBKVSA-N 444.532 0.915 30 20 ICED CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826892853 QXJWYZKKYWZECN-ZWKOTPCHSA-N 435.569 0.951 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CC(=O)NC)C2)C1 1829260143 GNROCIUVILHDQC-QFIPXVFZSA-N 426.473 0.208 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829705590 HGRNHBAXAFJXLX-LJQANCHMSA-N 429.608 0.411 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1830640652 AYJFMDOGEARSBQ-KNQAVFIVSA-N 437.537 0.362 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1831433125 QIYCXRDEFVXJPH-KKSFZXQISA-N 429.477 0.390 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831493781 VSFMJFZAXWVUJD-BBTUJRGHSA-N 442.626 0.033 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831493785 VSFMJFZAXWVUJD-LQWHRVPQSA-N 442.626 0.033 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1832161420 VSRBUFXRHXKZTH-YAVFQVKZSA-N 447.410 0.468 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1832454689 YLAFUGGIXHCJRA-OAQYLSRUSA-N 448.545 0.187 30 20 ICED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833520392 BMZMNGSYGQOCND-MRXNPFEDSA-N 434.585 0.351 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1C(=O)O 1835340964 KYKRODYHACIFGT-NRFANRHFSA-N 445.476 0.536 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)cc1 1835398709 QCPFUVKENVXXMJ-HSZRJFAPSA-N 442.516 0.155 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1835682634 OFRNRCSKNJYPIL-QHCPKHFHSA-N 444.532 0.673 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836141355 LFCTVASANIRYEO-VGOFRKELSA-N 438.488 0.675 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)c1 1836258446 KPHNERQFBNEWRY-FQEVSTJZSA-N 440.548 0.336 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443330 FIEHJEGQDHGQSG-YBCYLVPRSA-N 436.538 0.388 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837489088 ZGWNEUKMNOFTCU-JOCHJYFZSA-N 428.489 0.245 30 20 ICED COC(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1838130734 XGIMKXFTUSONFO-UHFFFAOYSA-N 443.456 0.568 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-c3ccccc3)nc1)CCO2 1838343570 RUTKECHHRPNRPY-XMMPIXPASA-N 449.463 0.907 30 20 ICED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c(O)n1 1838671730 YDZRSQRRCXNGCA-JBMWNJKUSA-N 442.472 0.878 30 20 ICED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1838681096 YYIAILOJBPAQHO-YRPGDMADSA-N 435.481 0.317 30 20 ICED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838732414 PMZLYCVWHWELQE-FQEVSTJZSA-N 430.440 0.695 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nn1 1838737901 DXSZBNJGXZDDRV-OAQYLSRUSA-N 441.492 0.617 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1839055088 WCSGQJVMYZTESW-HKUYNNGSSA-N 437.290 0.572 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2)C(F)(F)F 1839351857 VJINAPOMBBMMOT-LJQANCHMSA-N 441.406 0.974 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]34CCN(C(=O)OC(C)(C)C)C[C@H]3C4)C2)C1 1839810646 KHFSPZWGAKCPLI-VSDWSMLSSA-N 447.532 0.723 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839967924 GDKRKLDSLSKWRK-HTAPYJJXSA-N 434.464 0.699 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840007538 IHEPRYSKPRLZHY-OPAMFIHVSA-N 448.520 0.613 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1840028978 OSBLZMABFZEQCN-GCKMJXCFSA-N 441.525 0.293 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447906 MAMDQHXJCWZKDL-NRFANRHFSA-N 442.451 0.449 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497891 BUGLWOQAERAFGP-QFIPXVFZSA-N 447.488 0.296 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)nc2n(C)c1=O 24771414 CTTITBPMTQHQMO-SFHVURJKSA-N 436.447 0.794 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 110263722 SMHQVARYVKBTGG-GOSISDBHSA-N 449.529 0.733 30 20 ICED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)N(CC)CCC#N)C1 410130601 NKNXVYFFAVAUPF-SJORKVTESA-N 448.615 0.685 30 20 ICED CC(C)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 426146910 APCSJOUKDWHQMN-UHFFFAOYSA-N 447.561 0.191 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 431662498 QVJCHAYDXWOWTK-UHFFFAOYSA-N 439.519 0.021 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(COC)c2)c1=O 440390065 YKZMYEDCHCNIID-HNNXBMFYSA-N 427.526 0.896 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(COC)c2)c1=O 440401544 WEZHVYGCAPHKOH-KRWDZBQOSA-N 427.526 0.874 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 443759581 OQTJGHDQHQVMEO-UHFFFAOYSA-N 433.412 0.474 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 447414855 WWUULFGOXRIWEB-MRXNPFEDSA-N 433.476 0.905 30 20 ICED Cn1c(CCC(=O)N2CCOC[C@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 461629979 HNQPWEIMINOMIO-OAHLLOKOSA-N 447.517 0.278 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 462098901 BMEPOXUOAOLXBO-UHFFFAOYSA-N 429.448 1.239 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465119051 GXPNLOPJFGFDCY-OAHLLOKOSA-N 444.517 0.624 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1NC(C)=O 465416780 LBANBJKXWHOQEI-ZDUSSCGKSA-N 437.460 0.991 30 20 ICED COc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(=O)(=O)N(C)C 471707030 SBQSRQLKEYWLNT-UHFFFAOYSA-N 446.533 0.822 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)c1C#N 472881061 YULGHYBBWQKFRL-UHFFFAOYSA-N 436.476 0.417 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C)cn2)c1=O 474335079 CWGCBYXTZHHDKE-UHFFFAOYSA-N 442.541 0.842 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 480666407 PFGOZPAUBYQZBA-DNVCBOLYSA-N 438.575 0.549 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480966831 VEBFQJBZPYLYRH-CYBMUJFWSA-N 442.472 0.739 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 483929452 NMDFFMSOMLYAFZ-SFHVURJKSA-N 433.534 0.257 30 20 ICED Cc1ccc(C)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502058895 TYAVRQZIGVBAOQ-UHFFFAOYSA-N 449.536 0.611 30 20 ICED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506548141 KLEPOZQZISHUQN-UHFFFAOYSA-N 431.468 0.876 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 508865839 WWOVCQLSPKFGKD-UHFFFAOYSA-N 425.536 0.616 30 20 ICED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCN1Cc1ccccc1 512610872 FTPLOFRBWICFLG-VQTJNVASSA-N 449.577 0.894 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513599194 FXRWIMSDWSKVCH-WHEQGISXSA-N 436.472 0.715 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CC2 518438793 VTJIHGUOICPHSR-OAHLLOKOSA-N 441.467 0.215 30 20 ICED CC(=O)N1CCC(NC(=O)Cn2cc(I)c(C)c(C#N)c2=O)CC1 521602104 LRCLAZGZZKNKLE-UHFFFAOYSA-N 442.257 0.760 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 522283529 WDRGOIZVAIDXOX-UHFFFAOYSA-N 441.553 0.925 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 523070334 UFOULXOGWXPZMU-FQEVSTJZSA-N 434.452 0.827 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 523090741 XOKXMILYTDKBGK-UHFFFAOYSA-N 441.553 0.925 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)n(C)c1=O 530638698 XECGNBTVFSSLBY-LBPRGKRZSA-N 436.350 0.713 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n(CCC#N)n1 532608445 KEYWCBKQMANNNN-LJQANCHMSA-N 449.515 0.993 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 532893991 UJIPBGAGLAPFIH-SFHVURJKSA-N 429.458 0.999 30 20 ICED Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 540599226 CKJRFKOPFLWHAB-UHFFFAOYSA-N 438.487 0.254 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 545915802 FZSJWNHSXNJXRR-UHFFFAOYSA-N 444.944 0.919 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 551065688 FYFZBCSFCNKBGN-CRAIPNDOSA-N 436.424 0.900 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C)n2)c1=O 553325843 YTJSKHMMCIJLLP-UHFFFAOYSA-N 448.570 0.463 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 555949397 JEZMMCROFKSCQR-INIZCTEOSA-N 426.498 0.971 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1=O 576250753 DLNTYKGYEPNMEM-LBPRGKRZSA-N 428.214 0.715 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589491822 PBFWXKHYCJBUTL-QFIPXVFZSA-N 442.541 0.932 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608912610 XPBPVNXKQUCNJU-UHFFFAOYSA-N 434.477 0.437 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1CC(N)=O 610245114 UREGMYVVSGYQNC-UHFFFAOYSA-N 434.905 0.086 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cn1C 727005835 GRSLYQXCMDELTG-UHFFFAOYSA-N 425.854 0.714 30 20 ICED N#Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1N 729807975 BBBLJZNVQSKJMF-UHFFFAOYSA-N 439.881 0.868 30 20 ICED CCCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 731183599 LHMUOLUHIPCPSO-UHFFFAOYSA-N 435.550 0.471 30 20 ICED Cn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)nc2n(C)c1=O 743732848 SMZRDUULJDVDJI-UHFFFAOYSA-N 434.456 0.717 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 744862935 NVJPKRLADPSYRD-FVXSSJTDSA-N 442.472 0.733 30 20 ICED Cn1c(=O)c2ccc(C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)nc2n(C)c1=O 751645828 UMYYVISLOWVLDB-ZDUSSCGKSA-N 425.426 0.528 30 20 ICED C#CCN1CCN(C(=O)CN(c2ccccc2Br)S(=O)(=O)N(C)C)CC1 754295797 CYIQNZSUTSCDMN-UHFFFAOYSA-N 443.367 0.839 30 20 ICED COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1S(N)(=O)=O 756106996 NVNBZRODEOPRQJ-SNVBAGLBSA-N 430.508 0.989 30 20 ICED O=C(O)Cn1cc(/C=C2/CC3(CCOCC3)C/C(=C/c3cn(CC(=O)O)nn3)C2=O)nn1 759084187 OBMYIUUFYZKGAP-GFIWHYBVSA-N 442.432 0.666 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 767194742 FJGCWTNYLJIVCS-AWEZNQCLSA-N 440.522 0.571 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CCN(C)CC1 767882096 BFKXKAVCAULKAO-UHFFFAOYSA-N 431.587 0.908 30 20 ICED COc1ccc(CN2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1 768338153 RWWXDHXUXDZGAY-QZQOTICOSA-N 441.488 0.966 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 770730564 NSTGMQRWSIKZJM-UHFFFAOYSA-N 425.533 0.755 30 20 ICED Cn1nccc1COCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 793123472 HLOWHOLFRZROLA-SFHVURJKSA-N 426.433 0.903 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC1 807890127 OYRYWGGAVOHJJV-UHFFFAOYSA-N 439.969 0.531 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 812757346 CJHVEXSVSNSEBG-OAHLLOKOSA-N 447.561 0.317 30 20 ICED CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)ccc21 815474643 ZUSWXZKXNGOWOE-LBPRGKRZSA-N 436.371 0.378 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 916711974 VNGHLPJGCSQUPP-HKWRFOASSA-N 431.540 0.560 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 916875095 KANBLSUGICPHQW-SFHVURJKSA-N 437.518 0.915 30 20 ICED CN1CCN(c2ncc(Br)cc2NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1158152758 LQMBBHJXZKFMET-UHFFFAOYSA-N 448.281 0.369 30 20 ICED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297791845 XAMLQGDVXAATEJ-HKBQPEDESA-N 444.565 0.778 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1298013349 LSZBVXPHKPWUQF-UHFFFAOYSA-N 434.508 0.204 30 20 ICED COc1ccccc1[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCCC1 1311572065 MMNNDLSKTKRFDF-QGZVFWFLSA-N 426.477 0.965 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1315537252 LDIWVFWJXDSZBQ-WIYYLYMNSA-N 428.493 0.661 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1320612626 QNHOSYNBZUSTLC-CVEARBPZSA-N 432.502 0.063 30 20 ICED CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1515992941 NYCXBEIZIUZRIZ-GOSISDBHSA-N 437.504 0.927 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(C)(=O)=O 1541674235 SOHBYJDAIMNYAG-UHFFFAOYSA-N 446.537 0.054 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1554303586 OXBHCTGIHRUTBF-UHFFFAOYSA-N 434.522 0.344 30 20 ICED CNC(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1554411477 KXFIKJJUJXAUOI-GOSISDBHSA-N 437.504 0.845 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1555806738 MFTRYJBQEQYUDJ-INIZCTEOSA-N 437.547 0.875 30 20 ICED CCN1CCC(N2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)CC1 1559919784 RFALVYDSPGLXPM-UHFFFAOYSA-N 443.596 0.995 30 20 ICED CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1618278442 UFNFGQZOSWZADG-STQMWFEESA-N 436.460 0.403 30 20 ICED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)nc1O 1629513364 OUHHIDJENKPSCM-UHFFFAOYSA-N 443.894 0.069 30 20 ICED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1631090896 JSIPLHWWONGUSR-QGZVFWFLSA-N 445.863 0.532 30 20 ICED Cn1cc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 1632714706 BTXZXKWSQLMZHY-LJQANCHMSA-N 436.516 0.756 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1729557099 UQJOJILPMNMZIM-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1731011877 YCGFGVVLWGZXRF-SJORKVTESA-N 431.522 0.417 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1741712028 SQUHGMLMGJKRII-OAHLLOKOSA-N 445.549 0.811 30 20 ICED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1749898586 HWUCGOJAESDAQB-JOCHJYFZSA-N 442.520 0.649 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1778182054 HVSNQIFIRITDFT-FGZHOGPDSA-N 449.504 0.551 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779062840 LEIVJFFCZGJMRO-HSZRJFAPSA-N 444.532 0.672 30 20 ICED O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ncn1 1779100305 AUWHJIXUVTUXMF-JBPDNEKASA-N 447.448 0.147 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1779334470 XUZXVWNFNDKZBJ-YGKZAACZSA-N 444.532 0.881 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337711 OTFHIUVGUDASML-YWZLYKJASA-N 433.465 0.173 30 20 ICED CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1cccc(Cl)c1 1780932689 NZRJVVWJRVUWBA-TZIWHRDSSA-N 447.875 0.435 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(C#N)c1 1781177462 XILZAEZEJFZPHS-VGSWGCGISA-N 426.473 0.075 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCCS3(=O)=O)C2)c1 1781654872 PQLKZOIONZIBBL-SQGPQFPESA-N 434.518 0.591 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782280996 YNJJHJXCOHNSDA-FFCJBUTOSA-N 427.461 0.821 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CCO2 1783046945 YJSQTWZUHADVEX-NRFANRHFSA-N 439.509 0.007 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 1783530928 WEFQZDRIGUHHLC-SAWCTPMISA-N 437.500 0.786 30 20 ICED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1784031476 IINAMOQIUVJDHF-ZOBUZTSGSA-N 441.492 0.174 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1784444873 FOBRWDLRZDYIFU-QZHFEQFPSA-N 448.545 0.479 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C[C@@H]21 1784475160 VYBKFLYDONHFES-JYBBTRFZSA-N 430.501 0.747 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622259 XKDJZGPHRAUFOT-UTALOQDFSA-N 429.477 0.849 30 20 ICED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(C#N)nc4C(F)(F)F)CCO3)C2)C1 1784781929 KEOZKKJGBVSUOK-LJQANCHMSA-N 437.422 0.977 30 20 ICED Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1C(F)(F)F 1785527660 WIKCNDWKDPZAHA-DRZSPHRISA-N 428.367 0.120 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785554945 GFBBWFKOVPHDDI-PNCHPQGNSA-N 427.501 0.673 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1785708804 SLRJEXBDBHHFCP-HRAATJIYSA-N 435.521 0.912 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786847368 WNUIJKRZGLYLQW-GVRJEKJASA-N 444.598 0.527 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678513 GEVHYSWVKXZCTH-UJZSUIGLSA-N 428.493 0.606 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)c1 1789255889 DKFGRYKLLYMWSR-SNRMKQJTSA-N 442.472 0.612 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]32)c(C#N)c1 1789839791 JAXQXNKEJCYOIN-VTCANLHHSA-N 442.516 0.601 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1)C(=O)O 1790142236 DHBINCLXOKDXET-OKYOBFRVSA-N 428.489 0.409 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072369 GKYSHTBMVBRBHN-JONQDZQNSA-N 435.477 0.064 30 20 ICED C=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]1C[C@@H](O)C1)C2 1793597311 KWNNELJGWDENQV-ARAZSQDJSA-N 437.537 0.816 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)cc1O 1794327487 GUXBJIKIBVZNOM-YVWYUNDQSA-N 425.445 0.280 30 20 ICED O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795759968 JDSMLSSWBQYSJB-NDIRIURYSA-N 439.900 0.655 30 20 ICED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#Cc3ccccc3)C4)c(C)n2n1 1796923559 RISGHCFTWHYWHM-BBIADKPPSA-N 444.495 0.996 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc2ncccn2n1 1797380749 RPTCGBLZTOKGQF-SJSYYZABSA-N 442.476 0.462 30 20 ICED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1nc2ncccn2n1 1798495409 GRHIOIMYRSNXMA-UWOAMFNOSA-N 427.465 0.905 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc2cccnc2cc1F 1799242523 IZTKYDZQDUCQED-MFKICJERSA-N 425.416 0.594 30 20 ICED O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800179474 RCPIULRKRLAFJA-FAQVEIGNSA-N 442.516 0.403 30 20 ICED 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)C1 1800778485 DCRKWGCQXQUIKM-GGXPGOJBSA-N 449.504 0.311 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1800985596 LYNRJUBJUCAZLR-LFZDHENXSA-N 433.574 0.795 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2)c1ccc(O)cc1 1801055439 VCDZENKYDHZMSV-AYMMHLMVSA-N 443.500 0.835 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccn(C)c2=O)[C@@H]1c1cccnc1 1803831300 TVGWCANGLDFMBV-LKWHPCHFSA-N 449.511 0.958 30 20 ICED 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)CNC(N)=O 1804478999 NBXUDWZLQVDHDK-AHGCPEOQSA-N 435.525 0.762 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810330812 MFKNKOODMZGODE-CMKODMSKSA-N 440.500 0.894 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812349429 LLTLRWAJMYBHEQ-LDBYXDLTSA-N 439.472 0.700 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817100770 KVWXQKCDORLEGD-SNVBAGLBSA-N 445.505 0.852 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821714811 ASDFCAPXCNCSOP-KGLIPLIRSA-N 435.481 0.518 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1829783102 DTOCOKQYDIJDFY-NRFANRHFSA-N 434.541 0.768 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2cnccn2)CCO3)cc1 1830959816 GRDUTGPPSCGAKG-HSZRJFAPSA-N 435.484 0.590 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1831216564 RYCDVKBRUQRQJQ-QHCPKHFHSA-N 435.484 0.955 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831271937 GCBLGIAABMKVKH-DPZZJQGRSA-N 435.502 0.080 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1831391853 XADJIMPVSVPBBI-WZONZLPQSA-N 430.501 0.732 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4c3C)C2)C1 1831392753 OCSXRYJPFBIQMT-FDDCHVKYSA-N 440.500 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831396627 HJVXUPCFFSMTOX-UZUQRXQVSA-N 443.475 0.735 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1831397552 SINMCQHPGJWELY-AOMKIAJQSA-N 432.473 0.509 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831398603 HXFWSKGKTOYBAL-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1831402994 VCZPSEQVXOZLEB-HXOBKFHXSA-N 443.500 0.753 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1831407282 UOLBUNNXHOSOFT-FQEVSTJZSA-N 438.550 0.828 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831493313 QXIFVFQVXHYJFP-OXQOHEQNSA-N 436.534 0.431 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833129722 ICDOMMJPWBHEGL-HSZRJFAPSA-N 443.548 0.671 30 20 ICED CS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)nc1 1834000395 GTJFNTKPNSWFHS-UHFFFAOYSA-N 447.561 0.974 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835350959 RHZZBTGAPKBDGV-INIZCTEOSA-N 439.520 0.348 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837397844 WQXWZXNUACVALP-LIRRHRJNSA-N 428.555 0.033 30 20 ICED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837466911 SZOVKJPBHOJKLY-OAQYLSRUSA-N 445.545 0.112 30 20 ICED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869195 CYCOSXGPBMSBGZ-UHFFFAOYSA-N 437.541 0.623 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837906417 PWFDQGAHDFRUDV-DUYDGHCJSA-N 433.484 0.762 30 20 ICED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)nn1C 1838273387 MCESDMCYHMOZID-QFIPXVFZSA-N 446.552 0.334 30 20 ICED CC(C)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838736233 RWMNPOFVNHBUGE-KNQAVFIVSA-N 431.537 0.979 30 20 ICED CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)OCC 1838742154 VFBVSALKUFQKNW-OAQYLSRUSA-N 434.493 0.746 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839225907 YNVUUFCTYGSBKP-OXJNMPFZSA-N 436.513 0.730 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516098 APVXRHSKAKQIGE-JXFKEZNVSA-N 438.550 0.690 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839858995 KUYXRIVNHBKODQ-OAQYLSRUSA-N 437.613 0.630 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1839866669 HXLYDKGHLNPFAR-XXBNENTESA-N 440.500 0.083 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840159720 LOMCRWVCZUABTE-RBZFPXEDSA-N 434.518 0.355 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840162026 JLZINXNMJJCQJZ-VLIAUNLRSA-N 447.517 0.828 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1841582293 PYPGSZYYXQYMNA-CQSZACIVSA-N 436.509 0.771 30 20 ICED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)c1ccc(O)cc1 1841849035 QPUCCTLNMFKFLN-QGZVFWFLSA-N 438.484 0.644 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1847070523 QSMNYTZZDOKMRV-HNNXBMFYSA-N 435.525 0.378 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CCO1 410388855 SOVKUTZFOGGNKY-ZIAGYGMSSA-N 434.396 0.527 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCC2)c1=O 430993840 ZYURGYOEXVYBRO-UHFFFAOYSA-N 427.530 0.649 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1 437168544 DREOYCQQVKKEDE-UHFFFAOYSA-N 428.489 0.757 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC(C)C)c1=O 440390619 XCMKHGRHQBGSPU-UHFFFAOYSA-N 444.557 0.419 30 20 ICED CC#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 440704381 VLKZOTFSAVPSLA-OAHLLOKOSA-N 435.502 0.728 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)nn1CCC#N 441796132 QUMPEZVLEQDFIJ-GOSISDBHSA-N 438.488 0.630 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1C1CCN(C)CC1 460713486 MIROFYZNJPBDJR-MRXNPFEDSA-N 436.520 0.704 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)ns2)CC1 460944903 IQPYNLYZZRHLLB-LBPRGKRZSA-N 426.572 0.951 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 462158871 UMAAHIAWZGQSIU-UHFFFAOYSA-N 426.564 1.000 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccnc1N1CCN(C)CC1 464958485 YJBZWPCKHLPOLF-QGZVFWFLSA-N 435.536 0.915 30 20 ICED CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)cn1CCOC 481346318 JZUOKPIPLGOTSC-HUUCEWRRSA-N 435.481 0.940 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 486726189 YRKKWLSPFKGTHT-DOTOQJQBSA-N 431.424 0.758 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2=O)cc1 487090247 SSCORYZZCUJOBF-OAHLLOKOSA-N 433.515 0.867 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)C1=O 488355060 KYHIJTSYZRREAD-KRWDZBQOSA-N 426.351 0.499 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 499263912 BEALWCQCSMEOJP-JTQLQIEISA-N 429.296 0.657 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)n1 508959925 ORTAEWZEQSQUOX-UHFFFAOYSA-N 434.460 0.728 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 512750691 SXYDRYDFHBTSDK-YLJYHZDGSA-N 447.605 0.694 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 531683948 PZJATRCGRRCBLQ-UHFFFAOYSA-N 425.491 0.851 30 20 ICED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 536072376 MFIYKEXQYVRGCI-UHFFFAOYSA-N 448.526 0.661 30 20 ICED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OCCOC)C2)CC1 542331259 IKRSNHHZBZCYSA-GOSISDBHSA-N 429.521 0.760 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 551520024 WRCGYFSLYWGBQG-SFHVURJKSA-N 426.560 0.998 30 20 ICED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C 553833966 AINDTUQMLCYRAI-UHFFFAOYSA-N 429.912 0.976 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561642075 IJZXFFFCXMVUFH-PKOBYXMFSA-N 434.468 0.283 30 20 ICED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 561706556 HIJLHMZKKNSONU-OALUTQOASA-N 434.500 0.974 30 20 ICED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 561858677 SUIAOYWFNOTCDE-PKOBYXMFSA-N 434.500 0.786 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccc1Br 571690884 ILHYPMVGFJBURV-LBPRGKRZSA-N 430.280 0.267 30 20 ICED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 578383352 NOYLSDHIJYLBLK-DLBZAZTESA-N 425.555 0.989 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc1 582374613 WZKGVDULSVTPLO-UHFFFAOYSA-N 431.540 0.288 30 20 ICED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C(=O)N1c1cnn(C)c1 610532039 NABUDYGNTIDEPF-CXAGYDPISA-N 447.459 0.180 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCN(CC#N)CC2)cc1 611645176 XEAVIHXGWRKBBL-IEBWSBKVSA-N 434.562 0.776 30 20 ICED O=C(CN1Cc2ccccc2C1=O)NCC#CCNC(=O)CN1Cc2ccccc2C1=O 681338733 FXYVXYWIPZOVPJ-UHFFFAOYSA-N 430.464 0.534 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)C1CC(=O)NC(=O)C1)CCCC2 726817865 DUANTFYOHPIVBP-CQSZACIVSA-N 442.472 0.952 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)CC1 728531687 NBKPGGSVCCRSLB-UHFFFAOYSA-N 430.505 0.106 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 733149318 FHKPSMBKZFZIBD-XMHGGMMESA-N 425.468 0.402 30 20 ICED COc1ccc(N2CCN(C(=O)COC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 741342456 VLYPXBGWRGQRSU-QURGRASLSA-N 442.472 0.804 30 20 ICED C[C@@H](CC(=O)Nc1cnn(CCN2CCOCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742633742 HEIIXUXVKRVHLK-HNNXBMFYSA-N 446.533 0.671 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1CCOC 748042538 MCDMBLMMJLKTKA-HIFRSBDPSA-N 431.514 0.538 30 20 ICED CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749744235 OMTVSMIQRSJFHQ-TYLFSVGHSA-N 442.563 0.667 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2OC)CC1 751505270 KDSNZQPDRZGVLS-UHFFFAOYSA-N 431.489 0.569 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1 753988393 JHUFKSSKMPVISF-GOSISDBHSA-N 437.518 0.536 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758049959 LLQVUFSFNVICQA-UHFFFAOYSA-N 437.521 0.524 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(I)n2)CC1 761157961 VZBUGBRPBGAVFE-UHFFFAOYSA-N 442.257 0.202 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 766977082 HYXGRWOQVMIKMA-UHFFFAOYSA-N 435.439 0.216 30 20 ICED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 784964862 UUQAEDFOLWLNSH-MOLDEKSUSA-N 435.506 0.127 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)s1 787763269 KAIYDOQDBFHJKU-CYBMUJFWSA-N 435.531 0.835 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 788848023 CLLQANSMUORGSA-MRXNPFEDSA-N 425.532 0.238 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NCc1ccc(C#N)cc1 789118168 MUKKNICMYIDKBD-HXUWFJFHSA-N 428.445 0.333 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 789787036 DMVDRUBZDPUZOR-UHFFFAOYSA-N 425.489 0.967 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794579693 ALWCGAFKFJTRJC-CQSZACIVSA-N 429.498 0.933 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)c1 798057991 ANJICKWFQAUDTB-UHFFFAOYSA-N 429.458 0.457 30 20 ICED C#CCCCS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 805030135 UMPXQJDCXQZLKN-UHFFFAOYSA-N 435.568 0.296 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 810422948 GXYHUAVCWDUQMC-UHFFFAOYSA-N 429.408 0.470 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)c3cccc(C)c3)CC2)c1=O 913066460 MNKFGDONJGUONQ-UHFFFAOYSA-N 439.516 0.658 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 916199182 CKDPBKILIQZYLZ-UHFFFAOYSA-N 435.452 0.939 30 20 ICED C[C@H](OCC1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920782937 WLEDXVBERZNWGC-HNNXBMFYSA-N 435.502 0.749 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1=O 1298846145 IQWZHHJIYAMHIM-ZWKOTPCHSA-N 431.512 0.819 30 20 ICED CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1554509729 LPQYCXOJZRVZKL-LJQANCHMSA-N 443.577 0.789 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1556543343 WMRPAWIADPFSBW-MRXNPFEDSA-N 441.517 0.884 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1618840491 QVUJALKYBIFBEI-UHFFFAOYSA-N 433.538 0.134 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1666475580 BUJZQYHEORDOGW-UHFFFAOYSA-N 436.509 0.963 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1748293489 LZVQTUDLLSDYFV-KRWDZBQOSA-N 443.533 0.567 30 20 ICED CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771356737 ULDOWPMWHQGXQW-IRXDYDNUSA-N 444.517 0.723 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)NCC(C)C)C1 1778119815 LBRICWOWIKAAHG-VGOFRKELSA-N 437.537 0.782 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360597 DJEXZTHIKAMKQP-VIZZCSTHSA-N 436.557 0.243 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779412377 XHZRHFAFRDQKAS-YAJHFMINSA-N 429.583 0.105 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779881209 UZUWMKXMSSRZMX-IQMFZBJNSA-N 448.483 0.960 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1780790275 VYHKDWYPICQUBG-GSHUGGBRSA-N 433.553 0.403 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1781269546 ZDESPONOSUIPME-OAQYLSRUSA-N 427.461 0.682 30 20 ICED Cn1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1C(F)(F)F 1782011123 RJSFQJDBVKGMIV-FZKQIMNGSA-N 442.394 0.654 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318375 GTCAEGJMKKHJMI-UZWDYZERSA-N 431.493 0.802 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)cc1 1783441366 MKFAMLDMWDWSJN-MUGJNUQGSA-N 441.532 0.063 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497386 AEVYNYPNBIURIZ-XLAORIBOSA-N 425.595 0.588 30 20 ICED CN(CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)OC(C)(C)C 1783567964 KTTOVJQSXFHGDD-OAQYLSRUSA-N 437.493 0.551 30 20 ICED COc1ccc2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)c[nH]c2c1 1784146033 DEAWXMBHKOJJFS-DCPHZVHLSA-N 439.468 0.787 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)[C@@H]2C1 1786369505 VUKYFJMFOBOEHI-YDRUYBAWSA-N 432.521 0.993 30 20 ICED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cc(O)n1 1786858116 LCPOAUCJBMUAJV-SZMVWBNQSA-N 429.521 0.971 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789795629 ZJYFQBLDOVVRBO-HVMFNXBNSA-N 426.627 0.556 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1790652527 QHIVLNXSOAUHEU-BQFCYCMXSA-N 428.445 0.150 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790791148 ZNGDHYODZDSBES-ZQIUZPCESA-N 443.504 0.887 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1792962953 WGSCQKOYIZMCBW-CKBCTKKSSA-N 433.505 0.024 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1792967827 HZCZQJWGEWRHJD-ZPCWHLROSA-N 434.537 0.637 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1793358842 FBZWKHFHNDPWCT-SCNOPHJPSA-N 448.545 0.072 30 20 ICED 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]1C=CCN1 1796309362 HQLBHTYENGLWQC-ADHGMGHFSA-N 434.537 0.573 30 20 ICED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1796322735 YKRNPEABMBEYIB-YXPYIKCWSA-N 433.896 0.862 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/C(=O)c2cccs2)cc1O 1796443647 WUAHVBOXFJOGGS-UGSKHMEESA-N 430.486 0.830 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797966428 PGVYLZLIZJSVJE-XAPVIXHLSA-N 442.516 0.232 30 20 ICED CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798444291 FHCSYAVBZHQGGZ-SFJGZRAYSA-N 425.555 0.638 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1)[C@@H]1SC(=N)NC1=O 1798859340 IDPUCABBXVEVTO-UFRBAHOGSA-N 441.513 0.564 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1800597792 SJWYDVKTDFPQRD-WRVROYBUSA-N 437.541 0.939 30 20 ICED 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]1CCOC1 1801515759 OTYUZLKEALHYJZ-UYTYNIKBSA-N 435.521 0.529 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801733960 WNUCDRZWWSWSKC-REPLKXPHSA-N 430.505 0.105 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809695448 QOFBCGHREGLGBE-MRXNPFEDSA-N 448.568 0.617 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)CC1 1814472676 YGSREWBELZQSPQ-CQSZACIVSA-N 430.534 0.523 30 20 ICED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814770107 PBSYLMYAKZSEHH-GFCCVEGCSA-N 428.451 0.974 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826867663 HARHMKHEQFGXEJ-SZZPACECSA-N 429.506 0.595 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1828886071 KVAQFTLQWNUTBY-ZJOUEHCJSA-N 437.581 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)C1 1829765299 SSZWNGUKGTTZLN-YOXWTLATSA-N 433.530 0.605 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cc1O 1829900460 DHCVKBMNROBXQV-JOCHJYFZSA-N 439.472 0.310 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064785 QEDFXSWEKUCKGC-YVHKJVDXSA-N 433.505 0.748 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808202 UMMIWEDGHNIMGZ-JPYJTQIMSA-N 442.512 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1831390993 CXBOWAJZFLRNOM-LHSJRXKWSA-N 434.468 0.535 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1831392393 LJEVAJQALBXECG-HXOBKFHXSA-N 428.485 0.825 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833257616 WMGCTDREZWYOGS-GOSISDBHSA-N 425.800 0.032 30 20 ICED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](S)C(C)C)CC2)CC1 1833450699 ABHIFTIGPDLNKQ-SFHVURJKSA-N 433.640 0.947 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833630179 YGWOFZOQJRSHHK-YCRPNKLZSA-N 437.468 0.890 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833961293 RVYLSJPAGHNXCN-INIZCTEOSA-N 432.521 0.862 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102512 UWABJFUFGJMYEN-DENIHFKCSA-N 432.542 0.609 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111156 AGJGDORHABXWCR-CJNGLKHVSA-N 446.577 0.664 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835361219 GGCFOHRTHOCBME-OAQYLSRUSA-N 425.445 0.709 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1835674672 CZYCVWMYFGOROK-GCJKJVERSA-N 436.553 0.684 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1835829993 IFAURPJVCJTHHF-KHCKMINHSA-N 446.596 0.720 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836393569 UAKLSGPOSLKEIC-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)C1 1836424744 ARNJKXBYEXGMEQ-OPAMFIHVSA-N 426.473 0.671 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837402789 FEDVNYRDIGYUPU-WMZHIEFXSA-N 442.516 0.977 30 20 ICED Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529272 QSCQSMNYTHYIBG-REWVYZQPSA-N 446.504 0.989 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837565034 JLWRJLWUMZHXEW-RHUWMCOTSA-N 428.445 0.569 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837806109 SXRLSGVWCSCNDO-ZJHLSYPMSA-N 429.477 0.809 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838472627 VAGRDLKKOIYFET-QFIPXVFZSA-N 441.488 0.205 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1838599469 HVFYNUWCTKCFKT-HXUWFJFHSA-N 431.832 0.370 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839196150 WWCJSXJABJLMLT-VGOFRKELSA-N 431.489 0.393 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1)C(F)(F)F 1839891462 GHWKYELYSTXBLV-KRWDZBQOSA-N 432.399 0.170 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)c1C(=O)O 1840044535 LAHWGHUJYKPLBV-QFIPXVFZSA-N 444.440 0.160 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840819373 HDNKXJFPEPUJFG-NRFANRHFSA-N 426.429 0.695 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1840870780 ZZNNCICMHAXDRE-QFIPXVFZSA-N 440.456 0.040 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843215617 NZHCHQSNNPIHCL-UHFFFAOYSA-N 447.561 0.725 30 20 ICED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)C2)CC1 1845581500 XBPVHGPCNHKRPG-UHFFFAOYSA-N 435.532 0.889 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 218004470 DHEBXRBAJQUCNU-HNNXBMFYSA-N 432.278 0.708 30 20 ICED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 410151675 RLTBJDVRDKGDDM-QGZVFWFLSA-N 426.495 0.506 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCO1 410163088 WIWQRQUFPUKRKJ-AWEZNQCLSA-N 448.592 0.524 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 434584649 JUXPANZWBKGVOI-OAHLLOKOSA-N 439.538 0.658 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 437053371 VSMASKXAEOULDT-GUYCJALGSA-N 425.507 0.981 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCOC1 441942981 ROBLFCFJZRZIAL-HNNXBMFYSA-N 447.582 0.972 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 443701947 AZRFNEFWBBRGAM-PBHICJAKSA-N 429.516 0.917 30 20 ICED CC(C)Oc1ccc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C#N 466565345 UZFBKIBMFCVIRM-UHFFFAOYSA-N 427.465 0.840 30 20 ICED N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)cc1 469130358 IQRNYNHZFBRUFS-UHFFFAOYSA-N 431.474 0.334 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)c2ccccc21 471976866 GNZBEMBXPHKZFS-AWEZNQCLSA-N 437.525 0.615 30 20 ICED C=CCCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 473313149 DCBHEPPEPLNNPW-OAHLLOKOSA-N 443.547 0.563 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 480142347 MPRRMLCGVPDLPK-JKSUJKDBSA-N 437.508 0.980 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480952557 JOWGKEJIULPKEM-UHFFFAOYSA-N 438.509 0.992 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2=O)cc1 487434421 WZPPVVZBVVMQSL-SFHVURJKSA-N 442.501 0.332 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)C(C)=O)CC2)cc1 490291576 KFSBPKZGGUPODC-UHFFFAOYSA-N 436.534 0.901 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 505584888 JHQVALIMXAQMOI-IBGZPJMESA-N 449.467 0.573 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 506628190 ZVFUTGHQRAFZEO-ZDUSSCGKSA-N 443.485 0.340 30 20 ICED COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H](C(=O)OC)C1 509380521 OSFFKNWKFQLUJB-LSDHHAIUSA-N 437.474 0.364 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 525848954 WEYVSBLRCCHZMF-UHFFFAOYSA-N 438.897 0.950 30 20 ICED C=CCSc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533056956 KNFUZTVBSSVUND-SJORKVTESA-N 425.576 0.991 30 20 ICED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 549665318 JFUDROJAUCMWIO-MSOLQXFVSA-N 434.541 0.311 30 20 ICED C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 549675962 VZOZRLKZXIMJFY-QGZVFWFLSA-N 448.549 0.674 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)NCCN1CCCCCC1 554454936 VISMIUUXGDOBGH-MRXNPFEDSA-N 435.550 0.333 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n1 555026207 KBJULBVUVBXKME-MRXNPFEDSA-N 439.501 0.644 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1CC(N)=O 560429483 AXIXVGILIVOIRS-UHFFFAOYSA-N 440.344 0.947 30 20 ICED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 563919734 CNDULQAFTGKNMY-ZDUSSCGKSA-N 436.515 0.622 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 567128743 KKPMOXZWMXWFOI-MRXNPFEDSA-N 444.517 1.202 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C 604270204 SSEYBJBLCAYSPZ-UHFFFAOYSA-N 442.541 0.426 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 605251915 BYXWJONTOKOCKT-LJQANCHMSA-N 428.489 0.803 30 20 ICED C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611643007 CMYVMLCLHWFGQN-WBVHZDCISA-N 438.506 0.485 30 20 ICED CCCCN1C(=S)N(CN(C)CC#N)[C@@H]2C=C(S(=O)(=O)N3CCOCC3)C=C[C@H]21 725772041 NONGZEYBHFUBOJ-QZTJIDSGSA-N 439.607 0.955 30 20 ICED COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400449 JMPHKRIMGHYHIR-OAHLLOKOSA-N 447.517 0.148 30 20 ICED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732909432 BRCWXFXVJZTLSJ-LLVKDONJSA-N 443.275 0.800 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 735937432 JXELCQLUFACGCL-UHFFFAOYSA-N 449.529 0.534 30 20 ICED C[C@@H](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742469579 DAENBMBIOOGJEX-LBPRGKRZSA-N 436.515 0.468 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 744088576 CGQQHCHFSZNVOX-UHFFFAOYSA-N 440.525 0.677 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 747742738 YCMDHDRCGBQAHD-UHFFFAOYSA-N 449.529 0.504 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1C#N 752394588 ODKTUQNZZMVSLP-AWEZNQCLSA-N 437.478 0.605 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758039207 BBQVSRPZIJVRMH-UHFFFAOYSA-N 427.482 0.650 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 759064154 DEFOBWZYJAWOLS-UCXBAENPSA-N 444.517 0.835 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(C3CCN(C)CC3)c2=O)cn1 772304365 VAECXLQVTVGGJY-UHFFFAOYSA-N 440.573 0.893 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 775945868 CCHUILHRMTZUTC-HXUWFJFHSA-N 431.512 0.355 30 20 ICED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)CC1 781983891 GNKIILQOUUAIPM-UHFFFAOYSA-N 425.449 0.279 30 20 ICED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782482950 NBYFAMHDQQXWRQ-UIFJYSFJSA-N 449.533 0.565 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C1CC1 782676862 NCDYJEDYRVFFKF-UHFFFAOYSA-N 428.539 0.940 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H](C)CO 786023831 YFKROGQVBYMNFM-KDKGISQFSA-N 440.522 0.028 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC1(C#N)CC1 793193762 CPMOJVOSNMJCSM-CQSZACIVSA-N 438.531 0.890 30 20 ICED C#CCC[C@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 798420858 DDOOQKNCSUOECM-HNNXBMFYSA-N 426.495 0.392 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804053225 IRDKWTZRGRDBTF-NHCUHLMSSA-N 425.533 0.572 30 20 ICED C#CCNc1nc(NCC(C)(C)N2CCOCC2)nc(NCC(C)(C)N2CCOCC2)n1 804324188 DRBNKWMURKBUOP-UHFFFAOYSA-N 446.600 0.962 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 804497058 UNAKOXFKVNUWPY-RDJZCZTQSA-N 427.548 0.436 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 893447601 HJNJWNXKCCXQSB-HIFRSBDPSA-N 439.490 0.701 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 918288319 CKDAGDINECHVLK-CJLVFECKSA-N 435.506 0.162 30 20 ICED N#Cc1sccc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1131129042 TVNHQGOHACGQDM-CYBMUJFWSA-N 435.531 0.434 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1286630077 PZHQVYTWESQRRS-CQSZACIVSA-N 425.946 0.993 30 20 ICED N#CCC1(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 1309061610 XXAKVGAWEDWLKS-UHFFFAOYSA-N 427.552 0.147 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1339781073 YSVNOUMXVBCEQK-LSDHQDQOSA-N 441.488 0.604 30 20 ICED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475454105 XWNIYDFTNIQFKO-SECBINFHSA-N 426.289 0.772 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC)CCOC1 1502689038 URPWXFRSTNOYNX-ZWKOTPCHSA-N 426.543 0.609 30 20 ICED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1519899874 PJOFCRMKCCFTAE-KBPBESRZSA-N 444.583 0.529 30 20 ICED CN(C)S(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1552892358 XUGMUSYHFCFNBN-MRXNPFEDSA-N 438.485 0.616 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(C)(=O)=O 1694132242 YUCXELDJCCPLOO-HUUCEWRRSA-N 447.569 0.718 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1747419917 LBIDZMWMZLBHAC-UHFFFAOYSA-N 446.533 0.546 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)[C@H]1SC(=N)NC1=O 1778085080 ZNTXXHOHSCTDET-WPLACJGDSA-N 447.561 0.997 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1778782060 RLFIHOMSFQMHFM-SIKLNZKXSA-N 444.488 0.385 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)(C1)C2 1779021043 ZYLLECOZXQBGED-XWNPTURTSA-N 432.521 0.631 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1779068181 HEOJSYWCPIVBTJ-FRQCXROJSA-N 430.523 0.266 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779134283 DXXJGWRPPBSCDI-IORMWJHZSA-N 431.424 0.938 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)c1 1781777265 GCBJLCAGCQPGKH-LYHRCORUSA-N 440.500 0.830 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1782013572 XDZHBZRZHVLFKX-OPAMFIHVSA-N 437.456 0.687 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782437099 KIMGUESANCXOOH-RHVSLNNASA-N 427.505 0.211 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782709807 RZUCFKGBLROGON-IHWCOTDNSA-N 441.481 0.907 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783566626 GBCNJBCPPSDECK-NRFANRHFSA-N 432.404 0.534 30 20 ICED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1783580318 OKXYBANIDIWJNL-MUGJNUQGSA-N 433.549 0.579 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1784482153 DIRVEXZTKHQYJK-UEABVUSTSA-N 431.445 0.932 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612486 DJSOIQUKQKUWFG-VGOFRKELSA-N 437.537 0.894 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1785730008 XREMLGMPANYNOJ-OPAMFIHVSA-N 448.520 0.756 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787248872 RGSBOTOWMDPUEQ-SZMVWBNQSA-N 448.545 0.769 30 20 ICED CC(=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 1790866876 BGAZIDGKOVXRGX-ADLAUBGYSA-N 433.530 0.991 30 20 ICED CC(=O)O[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 1797595010 GNHSQRCYENSHHB-UPQJGCPBSA-N 439.509 0.693 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1 1799386885 JNZMZLRGZVASFP-RVDAZCDBSA-N 443.475 0.958 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C[C@H]2C[C@H]21 1800773549 HKRJSBCYLRUSFE-WLQXYJQWSA-N 447.488 0.062 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@H](O)C1 1801987684 DBVZSBPXNLPLAB-BQJWPVKWSA-N 449.504 0.331 30 20 ICED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990088 RABFHIVNIFMFIV-XOIINTDNSA-N 442.501 0.734 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1801992287 BEGGWNLAYMJUKC-FEJSZKPUSA-N 436.468 0.389 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)C1 1806005587 VJNYCPVYKNJJEP-QGZVFWFLSA-N 437.500 0.973 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807062244 JSTYTAJGGNLCPW-DYESRHJHSA-N 435.488 0.521 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812348611 LXERZBFYGSYIAH-HZUJVAHNSA-N 449.467 0.389 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812712085 JBLBSQJTCPLZPT-NFBKMPQASA-N 448.564 0.357 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)CCC1 1814051164 LYTYMSFSKLAZPO-RHSMWYFYSA-N 447.459 0.221 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814054001 FLRKVJHQBSAPKV-MRRVFYBRSA-N 435.506 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cc3nnc(C)o3)sc2C1 1815480236 KLJPSTQVACSUJC-DGMVEKRQSA-N 430.490 0.848 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669504 WCNJHWJCLMHPOZ-IDZUREILSA-N 434.478 0.460 30 20 ICED CN(C)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805805 FAINPLLYDLCSMW-JOCHJYFZSA-N 427.505 0.914 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc1 1829634496 PMJFOVZFESOJTJ-QFIPXVFZSA-N 438.488 0.239 30 20 ICED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049570 BNNHISQDRIKZPH-VGOFRKELSA-N 429.521 0.998 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830676310 PWQQJEVFVNPISP-WMWRJIBUSA-N 426.473 0.229 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1831391268 LTUFJWIDXLTEQE-WZONZLPQSA-N 430.501 0.732 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1831490740 KGZZAHRDRUGCME-YLJYHZDGSA-N 433.534 0.754 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1832452758 GNABRFIDWOOJOP-GHTZIAJQSA-N 434.562 0.327 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832844318 NMMSSSARLOISHV-JTSKRJEESA-N 433.480 0.648 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c(O)n1 1833699557 DBRWBKJZTSZYJH-QFIPXVFZSA-N 446.504 0.241 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C)CCO2 1834034168 HXFBQIMWKUBEKG-DYRFGFBLSA-N 428.489 0.318 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1834120396 AGWVOGAGBKDJRL-QHCPKHFHSA-N 444.532 0.497 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835072832 VTLAGDTXUPDLKK-CQSZACIVSA-N 429.464 0.706 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835355050 QMHSDMIZDSKTNE-HTAPYJJXSA-N 432.521 0.538 30 20 ICED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835483513 GKBGZMRAINMLQR-UHFFFAOYSA-N 431.625 0.999 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1835713399 VUFJOJHUPCROJA-QZTJIDSGSA-N 438.569 0.194 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835777905 CDENIDFXUHAIJT-HYARGMPZSA-N 427.509 0.562 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837441737 CDLFLEOYOLIAKH-VCOZGABYSA-N 431.537 0.875 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446905 KEXQBQKRHTVHTQ-GTZKWBBTSA-N 449.596 0.787 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524706 GHUHHNDPYDAXIP-QVDMBEPVSA-N 427.498 0.254 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837562199 HQUDXDQOAGUTTK-YVABFXQFSA-N 442.472 0.017 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837846998 ZDBFTKOXOAOMGF-NRFANRHFSA-N 435.452 0.800 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccc3)no1)CCO2 1837998242 WJBGAAWKYFHEOP-QFIPXVFZSA-N 439.424 0.500 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)ccc1F 1839187492 GAIIDKTWFIBSKH-HXUWFJFHSA-N 429.408 0.393 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1839223038 JQZHVFLJIBANGT-DYESRHJHSA-N 435.525 0.908 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1839226548 AFECDRAYMPAAQW-KKSFZXQISA-N 435.525 0.853 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1)C(F)(F)F 1839891404 CZXUUZOCFSVAAW-BLLLJJGKSA-N 442.456 0.242 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840164114 YCECLKAPWQHZPB-VFNWGFHPSA-N 434.562 0.158 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1840819809 GOGCOZRKTXESSZ-JOCHJYFZSA-N 437.456 0.497 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846330581 DYYKBMWOLTXWHB-CQSZACIVSA-N 442.538 0.431 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)OCC)CC2)c1 16557220 GMTLUAUBMWSXQM-UHFFFAOYSA-N 436.486 0.557 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)cc1 24493989 OQPMYWIXDJNFJW-LBPRGKRZSA-N 437.474 0.826 30 20 ICED C[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1)n1cnc(C#N)n1 410017804 UYDWXUCXUPXLRR-YCPHGPKFSA-N 432.448 0.409 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)s2)c1 435438056 MVAALZHYDFBBAH-JTQLQIEISA-N 428.517 0.833 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@@H](C)C#N 437397363 UGTXSWIMDDOKCF-AWEZNQCLSA-N 438.506 0.663 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCN1CC(C)(C)O 445209077 YJVRYJUKCODOBT-AWEZNQCLSA-N 428.468 1.125 30 20 ICED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1(C)C 447289864 GMVKQYZGUFCIGT-HRAATJIYSA-N 429.452 1.504 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 464421042 PABNTEWYUKUEJC-UHFFFAOYSA-N 439.515 0.658 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465488531 GTDCRJMNTFPPRI-ZDUSSCGKSA-N 436.519 0.156 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n(C)c1 483657767 UHCNGEDKTLANDQ-UHFFFAOYSA-N 443.485 0.037 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1C 483821550 NFVHHECWBIPUHW-UHFFFAOYSA-N 428.424 0.663 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1C 488069768 BKEHOCASGQNSPF-UHFFFAOYSA-N 445.566 0.132 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 490153557 VTPSAZDXKWWFHD-LBPRGKRZSA-N 435.431 0.909 30 20 ICED C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(OC)c1 497594165 RGVXEXMYCCIUMI-LJQANCHMSA-N 447.532 0.166 30 20 ICED COC(=O)CCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504397608 WWDRVDBPOJNBBL-SJORKVTESA-N 427.461 0.517 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664543 PZCQMXBGXSNSGI-AWEZNQCLSA-N 444.513 0.014 30 20 ICED N#Cc1ccc(CNC(=O)CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 514097549 YHGWZUMQHWAHHH-UHFFFAOYSA-N 448.483 0.566 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)CCO1 515438894 BLAPVQZKTOGLMB-QGZVFWFLSA-N 449.515 0.538 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccc(OC)nc1 525266066 IPSYWRPOXMAJAQ-UHFFFAOYSA-N 436.493 0.698 30 20 ICED C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 527214413 UGQUDOAZTXEKHJ-CQSZACIVSA-N 433.490 0.574 30 20 ICED C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 541924799 LDRGJVRWSGLKIX-CHWSQXEVSA-N 448.480 0.944 30 20 ICED CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(S(C)(=O)=O)C1 551408706 QERJUFBJLRSXNF-GFCCVEGCSA-N 429.296 0.752 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 552700087 OUBVYTLNJGQTBP-UHFFFAOYSA-N 435.488 0.162 30 20 ICED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CC2 553929167 CRAFXGFPRNIKJQ-MRXNPFEDSA-N 425.468 0.625 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 557756335 PNEVRBSFTAPAHT-SFHVURJKSA-N 433.597 0.735 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 564507026 VQZPUZKPCOMMPK-AWEZNQCLSA-N 425.474 0.236 30 20 ICED COc1cc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)ccc1OCCO 570324401 QUGPPEKMUADICZ-UHFFFAOYSA-N 436.428 0.774 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2)ccn1 577310507 XSMZLHCEFKYFOH-UHFFFAOYSA-N 432.400 0.458 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CCO1 609282704 HOJNPOQLHXDOLI-QGZVFWFLSA-N 429.477 0.049 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727161222 RYSJXKFNNFNMLK-UHFFFAOYSA-N 447.520 0.970 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCCC#N)C1=O 728780153 OKVRTLZQIIZGOF-VGLIXDPASA-N 437.547 0.964 30 20 ICED CN1C(=O)Cc2cc(C(=O)COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc21 729235073 ZRSJTVIYDWJTNG-UHFFFAOYSA-N 427.438 0.670 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2F)c1=O 729673347 LAPNEYDYZXLGDW-UHFFFAOYSA-N 449.529 0.219 30 20 ICED Cc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 738856755 XVFRYPABCBRLNO-ZDUSSCGKSA-N 427.461 0.829 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)s1 741745957 LYQOTKVGGUGNFH-UHFFFAOYSA-N 436.519 0.157 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C[C@@]4(CCSC4)C3=O)CC2)cc1 746502921 NTHYPUNMFNYXSO-LJQANCHMSA-N 434.543 0.704 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746555521 TUXDTPJXEKGTNE-UHFFFAOYSA-N 444.469 0.655 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 747736421 MSRVQGUSIHLNLN-UHFFFAOYSA-N 447.557 0.872 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(F)cccc2F)c1=O 758066844 DDHDEUBGWXKIAC-UHFFFAOYSA-N 431.464 0.867 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)CC1 761040034 XGYGLTBHQLBHPS-UHFFFAOYSA-N 431.468 0.679 30 20 ICED C[C@@H]1CC(=NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)NO1 763260545 NWNQZPUCRHBLDE-CYBMUJFWSA-N 435.506 0.765 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 773398655 SLGYACFEWOMHAS-KRWDZBQOSA-N 430.505 0.323 30 20 ICED C#CCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 781961105 NMCUYGREVNUGLF-AEFFLSMTSA-N 425.938 0.631 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn[nH]2)c1 783931817 XLBPPPZZSAZDDR-KQWNVCNZSA-N 433.494 0.653 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 785395867 IRVXQHDNDZTSRU-KRWDZBQOSA-N 435.488 0.949 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 790371554 SSYFHFRRUFUPSH-UHFFFAOYSA-N 429.926 0.803 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 806710420 SDNZBDRWWJGGMQ-IBGZPJMESA-N 430.505 0.487 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807941181 MLHWJLFBMIHLOV-OCCSQVGLSA-N 440.547 0.983 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)cc1 811456454 AHPYEWCKBRGRPN-UHFFFAOYSA-N 439.419 0.998 30 20 ICED 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N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832893301 UXKDUZJZRIOJBS-OAQYLSRUSA-N 444.513 0.823 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833201215 IQKIPEYRMVKFOV-AVRDEDQJSA-N 448.520 0.485 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833775173 KMTIIECTHQYXDK-OAQYLSRUSA-N 433.530 0.912 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1833842255 BPBPUTFEULABRT-NRFANRHFSA-N 447.612 0.936 30 20 ICED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)cc1O 1834715573 RWMMJNOTAHXJHP-UHFFFAOYSA-N 445.568 0.593 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763783 JLEFHIUYFIFFAC-URXFXBBRSA-N 448.608 0.977 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835848988 GKBOYDXJPKMEKB-OAQYLSRUSA-N 425.445 0.300 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@]3(C)CCCN3)CC2)CC1 1836384105 JNHOYQMLLDTICH-HSZRJFAPSA-N 432.613 0.982 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CN4CCOC4=O)CC3)CC2)c1 1836786360 IRWGAMBCXWDRPK-UHFFFAOYSA-N 429.477 0.951 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164254 AFTSYVUWFLOFCO-YLJYHZDGSA-N 433.534 0.754 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)c4ncccc34)CCO2)C1 1837187223 VIMHRZBPGBWMBZ-SBUREZEXSA-N 440.500 0.682 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837402637 ITYDMMCHMZTYNP-WMZHIEFXSA-N 432.517 0.964 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837524786 MVEKEXYYYCHKJC-HVHIPWAVSA-N 449.508 0.502 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559756 GSGPZOZLHSZFFF-BMUPIEFHSA-N 432.521 0.639 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1 1838352366 GQRGWMMPAGKIIG-FOIQADDNSA-N 435.481 0.356 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732211 GMUUBTWAUYCZSJ-OAQYLSRUSA-N 426.477 0.470 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1838737128 JRTAKLQWOHNGTB-UVLLPENVSA-N 427.505 0.297 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838737923 FTIGZTWEQLAYCV-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1838906717 BGRRUHHOIHIXME-HSZRJFAPSA-N 446.467 0.985 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839227861 MAXTZFYFEVHERR-AOMKIAJQSA-N 447.536 0.780 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)cc(C(F)(F)F)c1 1839442936 ICZDQYRWJQAKOJ-GOSISDBHSA-N 426.395 0.606 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839887182 ZBXNKVKWRYHYIP-MRXNPFEDSA-N 431.465 0.861 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1)C(F)(F)F 1839895089 JKQFXTXLLHFISI-SFHVURJKSA-N 429.395 0.905 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840158974 UJHJICBCISAUKQ-MGPUTAFESA-N 431.518 0.656 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840173312 PKTGKJSAFGJFOT-JOCHJYFZSA-N 430.505 0.564 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840364639 KWOSRMHROLIODT-YVHKJVDXSA-N 447.536 0.772 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409786 DWNLFCOPAJJGOA-GOSISDBHSA-N 426.420 0.523 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)cn1 1840462911 UQYQIFMGCJSWNC-HSZRJFAPSA-N 437.500 0.533 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840537578 GKTZMVWMQLAMBD-JTSKRJEESA-N 429.473 0.673 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C(C)(C)S 1846197030 MMQDYENPIDZBAY-OAHLLOKOSA-N 439.534 0.880 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(Br)c1 10779015 NTXXAVCRHZEENE-UHFFFAOYSA-N 434.268 0.282 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC[C@@H]3CCCO3)CC2)cc1 18661931 CGIBUOMKZIKANZ-KRWDZBQOSA-N 435.502 0.797 30 20 ICED CN(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)S(=O)(=O)c1ccc(C#N)cc1 27267192 FTXPODFIWTUHRJ-UHFFFAOYSA-N 428.474 0.149 30 20 ICED C=CCN(CC=C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 104641943 CHCLNYACEZKAIK-UHFFFAOYSA-N 449.529 0.897 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409523153 RWJVSMPZHPWHRJ-CYBMUJFWSA-N 445.523 0.546 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)Nc2ccn(CCC#N)n2)cc1C 429807660 VPPHDENRACGBDT-MRXNPFEDSA-N 432.506 0.965 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 438761434 PXZJJVBLZGWCJL-UHFFFAOYSA-N 433.484 0.931 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C1CCN(C)CC1 440384222 BXZHRTRRAQYUFC-UHFFFAOYSA-N 444.557 0.734 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2CC)cc1 441865774 CXERWCYXARUMDM-KRWDZBQOSA-N 436.534 0.901 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cccc21 446525865 CBJYAQTWODQEFG-UHFFFAOYSA-N 443.504 0.235 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CCN2CCCC2)CC1 460612856 ZHDRELHUOAMWIO-UHFFFAOYSA-N 436.520 0.626 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)Cc3c(C)nc(-c4ncccn4)nc3O)CC2)c1C#N 472999101 IDYIGDGLBLFUPJ-UHFFFAOYSA-N 433.476 0.753 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)cn1 478195240 SCSMCEDORPGEGP-UHFFFAOYSA-N 436.453 0.894 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480957705 VKKLOBVQVDJNNG-GFCCVEGCSA-N 430.511 0.662 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480960124 JRDUQLUJZJWUTQ-MRXNPFEDSA-N 437.481 0.139 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481751407 ABZGFSZQSYWXIQ-HNNXBMFYSA-N 442.490 0.190 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 484526946 ARABWEWPMWGMEO-GFCCVEGCSA-N 437.293 0.281 30 20 ICED C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 499490831 FXHLQSNKWNFRBP-WMLDXEAASA-N 428.536 0.688 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N1CCC(C(=O)Nc3cccc(C#N)c3)CC1)c(=O)n2C 501743333 PZPZDVVGVXXXAV-UHFFFAOYSA-N 449.471 0.183 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@](C)(O)CN(C)C)nnc12 502937085 VDQPYQAKSRAPST-FQEVSTJZSA-N 430.534 0.751 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 518247140 MUWDCLYSRXCNRZ-FUHIMQAGSA-N 441.532 0.343 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 546594879 PTTUJYQZELCWKF-KRWDZBQOSA-N 438.488 1.430 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1-n1cnnn1 551430763 IYZDZSCISAYHCO-HNNXBMFYSA-N 434.416 0.556 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1C 564811026 DGHRRVMWZBOEAO-UHFFFAOYSA-N 440.507 0.135 30 20 ICED CN1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)CC1 565736150 DYKHXOWMYFHBPQ-RTWAWAEBSA-N 437.544 0.966 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 580795734 LROZHOCIKRHISD-MSOLQXFVSA-N 447.486 0.963 30 20 ICED Cc1c(I)cn(CC(=O)N2CCCC[C@@H]2C(N)=O)c(=O)c1C#N 581241590 AVIQISMTKNADNG-GFCCVEGCSA-N 428.230 0.499 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 585689811 CGBQNYRYHRMODU-KRWDZBQOSA-N 444.536 0.545 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(F)(F)F)O1 588868252 BEJGXUMIKBLUMG-UHOFOFEASA-N 438.406 0.954 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c1 588992187 SIWJVRYFVMFABX-GOSISDBHSA-N 429.477 0.029 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 603986219 FBHWXJXPSSLSKG-UHFFFAOYSA-N 445.544 0.941 30 20 ICED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nnc2n1CCCCC2 642281006 ZLJBAZSQPAZIAQ-MRXNPFEDSA-N 442.501 0.615 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160729 IZJCPRCVRKWCAB-AWEZNQCLSA-N 447.520 0.970 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 728536071 HWHNVFRQEZBJSU-UHFFFAOYSA-N 446.573 0.289 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)CS(C)(=O)=O)cn1 733200597 GMMMHQNGZJHSJS-SMDDNHRTSA-N 427.552 0.936 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 746558931 BVSHQOSIKRXLKC-UHFFFAOYSA-N 432.436 0.790 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746620728 VZBUGFNMIFQTEH-HNNXBMFYSA-N 436.534 0.601 30 20 ICED C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 750552268 KYDNTZRJCUKPGV-DIWYCERUSA-N 436.530 0.887 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1-c1ccccc1 753360696 VXXPAKWPIVHPRG-UHFFFAOYSA-N 434.477 0.819 30 20 ICED Cc1nccn1-c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 757291691 KFWNSGXXNHVRQU-AWEZNQCLSA-N 431.460 0.913 30 20 ICED COC(=O)CS(=O)(=O)Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 759699170 VNHPCTCMGIDZPN-UHFFFAOYSA-N 437.499 0.906 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOC 763249599 DPWCEDOOOMROSF-UHFFFAOYSA-N 447.513 0.664 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763461372 XMTNSYHTIAWTFX-HNNXBMFYSA-N 443.573 0.169 30 20 ICED CN1C(=O)NC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1=O 764407203 NFSMRXHDQJRRFD-UHFFFAOYSA-N 433.490 0.048 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770644817 LSYYVKHZZKVNLJ-UHFFFAOYSA-N 446.485 0.501 30 20 ICED CCCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)c1 774522560 YBMRWQJNFFOZEV-UHFFFAOYSA-N 441.553 0.871 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1C#N 784974218 ZIQLCJJYWKFRMI-INIZCTEOSA-N 433.465 0.217 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2n(C)c1=O 789404149 BMGGQIBSKMZDMT-CYBMUJFWSA-N 437.412 0.308 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 792142746 CZDPBCZLZAOZTI-HXUWFJFHSA-N 428.489 0.481 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1=O 794890503 UOHWQSZEAIJNGB-IYBDPMFKSA-N 433.509 0.300 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)nc1 809677768 QCISHOFIHJRIGJ-UHFFFAOYSA-N 427.440 0.168 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NS(=O)(=O)c3cncc(C#N)c3)n2)CC1 811824454 XTTMARCXQKRNPT-UHFFFAOYSA-N 434.482 0.929 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CCN1C1CC1 815491526 RKJJEAFLSAGJNS-KRWDZBQOSA-N 446.529 0.777 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c1 816682769 IHGCASDEHXRGGP-SFHVURJKSA-N 437.587 0.878 30 20 ICED COCCn1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ccc1=O 918610673 PBRDXFUSPCSIOR-OQKWZONESA-N 433.490 0.955 30 20 ICED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 1307354192 VIMXNWLEFDLNGU-UHFFFAOYSA-N 426.498 0.742 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1314555170 XHEOVGUHBWELIY-INIZCTEOSA-N 432.506 0.755 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1318497610 LSQQRDHDNHLZSW-QZTJIDSGSA-N 439.472 0.613 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCCN1CCN(c2ncccn2)CC1 1318916971 RYEAGGMKBJDVSE-VXPUYCOJSA-N 427.509 0.412 30 20 ICED CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1329005148 SHZKTPLZXWEVTE-MGPWXQLLSA-N 441.554 0.604 30 20 ICED N#Cc1cn(CCNC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c(=O)nc1O 1470361787 WHVFKQNGNOEWIA-UHFFFAOYSA-N 425.445 0.986 30 20 ICED Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1503646097 AIOQKKUQVWHXJX-UHFFFAOYSA-N 433.538 0.748 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1 1541003734 UFMGBDQCVKTXOI-MRXNPFEDSA-N 439.524 0.685 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccsc2C#N)CC1 1645391101 ISWSXHZVQISGAX-ZDUSSCGKSA-N 447.542 0.734 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1706073995 URSNVUUCIIEJDW-XOBRGWDASA-N 447.517 0.862 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1706625940 YXZOLFSMZXERDV-OXJNMPFZSA-N 449.581 0.353 30 20 ICED CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1709450294 ZXROTTCQCZUVKB-RKVPGOIHSA-N 428.559 0.900 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1711917669 VPXORVAITHTJPF-QFBILLFUSA-N 433.490 0.232 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1729373198 LREFAEZFFGKZGY-NRFANRHFSA-N 426.477 0.263 30 20 ICED CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC 1764553694 VIYNJIDDLZUGKW-MRXNPFEDSA-N 434.522 0.697 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1765672877 RYHAOOPUYUBQPB-ROUUACIJSA-N 446.533 0.750 30 20 ICED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2Cl)CCO3)CC1 1778261753 JKDHDFRLTRCLBJ-JOCHJYFZSA-N 445.951 0.903 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017881 WRBGVCLEIUDUTC-CYKTWUMGSA-N 428.537 0.253 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Nc2cnccn2)C1 1779389876 MSIFCAINXUECMC-KCXPTXFHSA-N 429.521 0.829 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952178 AESHPWBVNZLAIR-QVKFZJNVSA-N 446.529 0.773 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060108 KLSGRVOBVHJUHZ-VFNWGFHPSA-N 442.476 0.334 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cncn2)CCO3)c1 1780173650 BCUPGOUGMOWDHK-OPAMFIHVSA-N 438.488 0.938 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)[S@@](=O)c1ccccc1 1781499522 JRESYFMUKSPJJW-RSVSBSNESA-N 446.525 0.785 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782560598 KFDKAAJRPXJKBS-CVDCTZTESA-N 445.564 0.735 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1783055294 QQZSJXWVGJURLK-LOSJGSFVSA-N 448.523 0.863 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)COCCOCCOCCOC)CCO2)C1 1783116205 CNECPLSFRWRDRD-KNQAVFIVSA-N 442.553 0.725 30 20 ICED CCOC(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CC1 1783132432 VRYAMVCEMSNIMB-VGOFRKELSA-N 449.504 0.457 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783512631 MXHYHRLSDAFLHU-OPAMFIHVSA-N 443.456 0.219 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1784486985 VJARMCLCDLXPJE-YETHCIJASA-N 444.484 0.835 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1785015572 HEUGPPPIEJJOTA-UGUYLWEFSA-N 433.596 0.213 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787473019 NSDPHBIVLOWVMQ-TUFLPTIASA-N 430.549 0.914 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)cc1 1791392749 SGGYIRYFASTIOT-FHWLQOOXSA-N 436.468 0.005 30 20 ICED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791542559 MPNMUPTUBBOCHS-FFGOWVMKSA-N 429.521 0.240 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Oc1ccccc1)C2 1792490419 SSSCHYIMDWTGPE-MICTXERYSA-N 427.501 0.902 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1)C(=O)O 1792834345 DSKLOGSAHJRTLA-MQJTVSLUSA-N 433.892 0.344 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1793832035 QHZLQVDTDQSLHC-FZKCQIBNSA-N 433.513 0.781 30 20 ICED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2)[C@@H]1SC(=N)NC1=O 1796874379 RJBASZKALMVVTJ-RMEBNNNOSA-N 434.566 0.709 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797329195 QONHGNKDKGAMPQ-GWUNTCDZSA-N 438.484 0.243 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2)N1C[C@@H]2C[C@H]2C1 1797638446 HMRANQRKEYGXGK-WOVRKRFXSA-N 438.528 0.867 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)c1cnccn1 1798551126 LHCLELLNOREDOW-NXOAAHMSSA-N 443.504 0.743 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798567795 KEKDVHOTQWZZHI-UPHUGPLXSA-N 428.485 0.842 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)cc1 1799642657 JYCDUEOUEQPIQX-RDGPPVDQSA-N 431.514 0.533 30 20 ICED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(F)c(OC)c1F 1799739194 URJLWSROQNQASF-XGISUXEOSA-N 438.383 0.273 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CSC(=N)N)C4)c2c1 1799883518 SUXYMXSZOMTXGF-DRXBFXEBSA-N 427.490 0.264 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCc1ccccc1)C2 1800455000 YJZDAHNSLBSRIE-JHDGKUDLSA-N 430.501 0.459 30 20 ICED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc(O)cc1 1801055862 PGNIPWRYRGCXPZ-CROMWVBPSA-N 437.500 0.771 30 20 ICED 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#CC1CC1)C2 1801158773 SLXXPFWFFIJKRR-CLWJZODNSA-N 445.516 0.916 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)c1 1807048600 RMYYDWTZXBTWID-ZJOUEHCJSA-N 434.500 0.866 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)[C@@H]1c1cccnc1 1807744713 ZKPIBPMDUZYPGW-IDVKNYFZSA-N 438.484 0.576 30 20 ICED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810287524 ADLPQROWYQFGCK-LPSMITJESA-N 430.509 0.915 30 20 ICED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CN1 1829949068 SDFBNXYFFWOKAI-AUSIDOKSSA-N 425.485 0.021 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831174100 DQTZZMBCFLPKOF-HXOBKFHXSA-N 442.516 0.472 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832468999 VIFZCDALTOAMQD-NFBKMPQASA-N 426.517 0.803 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833288724 VGZRZASNOQZTDC-UHFFFAOYSA-N 445.564 0.878 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C(OC)OC)CC2)CC1 1833390731 YZYJKRPUMALKRT-UHFFFAOYSA-N 425.526 0.686 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)CC2)CC1 1833832828 AUORCLLPBDQMDF-AWEZNQCLSA-N 427.505 0.198 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834121569 JGTVHBVWWGUYPY-OAQYLSRUSA-N 434.493 0.308 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835778169 ATTSQSYUZVESRC-OEAKJJBVSA-N 445.520 0.722 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837524217 CAYDIVWYJPFLDZ-JOFDYHQFSA-N 438.506 0.742 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837529542 VHOKEFSEQKGYLW-TXLXYZEFSA-N 431.436 0.627 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837674260 COLROXGGVMUIJC-LWRJRLFPSA-N 448.520 0.460 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838398047 CPYBOMLZJRIZSN-HNNXBMFYSA-N 429.477 0.364 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838723441 FBPYIDFKLSSTGM-JOCHJYFZSA-N 429.473 0.742 30 20 ICED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742156 VJXYJOYCHZKMCM-UGKGYDQZSA-N 429.521 0.829 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c1 1838804849 CQASLAQXEZQPHZ-NRFANRHFSA-N 444.419 0.561 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552290 RSFVNKIVLWGTHL-WZONZLPQSA-N 442.516 0.977 30 20 ICED Cn1c(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc2ccccc21 1840040156 QQRQGRUTIHJUMZ-HSZRJFAPSA-N 439.468 0.265 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840088406 CSIIQZZJEYLPRP-VFNWGFHPSA-N 436.509 0.660 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)c1 1840105547 PLVLXFLNZOEGKD-HSZRJFAPSA-N 440.500 0.641 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840144388 ZAPLRMADUFXJJS-PNCHPQGNSA-N 445.516 0.892 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840163174 FDSYDIQHEPFJDK-KZULUSFZSA-N 425.463 0.689 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840292906 SIBUUBLECLEGJF-JOCHJYFZSA-N 428.489 0.444 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840956116 DGNVCRCGOWTDEV-NRFANRHFSA-N 448.520 0.804 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841485770 JYJPNCUPPCKIRU-OAHLLOKOSA-N 434.493 0.559 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1C 430257642 AJEFOGOZLCWEBT-KRWDZBQOSA-N 446.533 1.273 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 433898690 WLERCCMLBBEFFH-UHFFFAOYSA-N 434.449 0.877 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 434939156 RJTMPWXXZANTEQ-UHFFFAOYSA-N 446.458 0.750 30 20 ICED N#CCCCn1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c2ccccc21 444823155 CUTWUISNXCKSGU-PMACEKPBSA-N 430.530 0.861 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 465273737 SDYYBYMFYIWJEP-ZDUSSCGKSA-N 425.474 0.750 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465418547 CJAIGGAXXMRUGK-OAHLLOKOSA-N 433.472 0.940 30 20 ICED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC 471674618 UVPMVRSVXNFLEA-UHFFFAOYSA-N 432.506 0.479 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(Cc2ccon2)c1=O 478846345 RWGNMJOHDNNWDJ-CQSZACIVSA-N 439.497 0.832 30 20 ICED C=CCN(CCOC)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 484553151 DUDVIGLMNGATCT-UHFFFAOYSA-N 427.523 0.789 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1 505157721 CWCXFAONUDHSBM-KRWDZBQOSA-N 434.456 0.905 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)CC1 505401891 GTKZQRIWMNLXPW-UHFFFAOYSA-N 437.541 0.611 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1 511125694 ZFQHQLJIRHLZLM-UHFFFAOYSA-N 426.520 0.992 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 527001078 UGYPKGQRWWIZNP-UHFFFAOYSA-N 439.538 0.582 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531598516 RIJDLYCTKWQTNH-UHFFFAOYSA-N 435.509 0.547 30 20 ICED CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)s1 547961882 VGYRQNPTEUSRTO-GFCCVEGCSA-N 445.566 0.863 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 551924502 PODBWGUJJMTYNI-OAHLLOKOSA-N 437.477 0.640 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 552775594 FGDJUUNJTCZUEN-CVEARBPZSA-N 436.509 0.675 30 20 ICED Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 553268528 PWQCDQYPXUMICY-UHFFFAOYSA-N 449.514 0.056 30 20 ICED Cc1c(NC(=O)C(=O)Nc2ccn(CCC#N)n2)nnn1CCOc1ccc(F)cc1 556221134 GFKJDEIGMZKSIV-UHFFFAOYSA-N 426.412 1.492 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 559833862 PKOVLMVCKOQLTE-UHFFFAOYSA-N 430.528 0.490 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1 564374325 YUFWUTKOSKQVBI-APWZRJJASA-N 440.500 0.966 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 567433522 OOGFOUCMYGUCAO-UHFFFAOYSA-N 444.511 0.333 30 20 ICED CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nc1C 579521104 PUPKNZZXPNCOHX-LLVKDONJSA-N 447.521 1.074 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CCC(F)(F)F 589041593 IWGGTZNFMVCHLY-UHFFFAOYSA-N 426.443 0.992 30 20 ICED Cc1c(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cccc1-n1cnnn1 609005695 UBCIBLHIFTZODT-UHFFFAOYSA-N 431.460 0.961 30 20 ICED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 612272129 QXYNEFIKMSRJEX-LJQANCHMSA-N 438.481 0.937 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(=O)N(C)C)c1=O 684535092 HHPWQTKAODHXNJ-KRWDZBQOSA-N 439.537 0.805 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577539 RDCMFHIHZIHNRG-UHFFFAOYSA-N 435.509 0.850 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 728532086 YLZJZAFYEAHDQV-KRWDZBQOSA-N 429.496 0.963 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1=O 729463079 IHYVYUGWJUOWNC-INIZCTEOSA-N 435.525 0.690 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCOC 729671919 RRXQQQIILDREMB-UHFFFAOYSA-N 433.505 0.660 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 731130101 SSDJOZAAMKORFN-UHFFFAOYSA-N 425.445 0.884 30 20 ICED COc1ccccc1C(=O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466825 RKEAVDLMDGIODT-VHEBQXMUSA-N 427.461 0.689 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1ncccc1C#N)CC2 743896875 OSDHTDDVYHWTCU-UHFFFAOYSA-N 442.501 0.369 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744010616 KQRXGFCHZKBTOO-JTQLQIEISA-N 439.519 0.359 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[C@@H](C)O)cc1C 748784896 KURLVGXDYLEPPD-RHSMWYFYSA-N 425.507 0.635 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 749771691 ODCNMBNTWGZRSM-UHFFFAOYSA-N 429.444 0.866 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OCC)CC2)cc1C#N 752403256 CYODVXYODYJUHL-UHFFFAOYSA-N 432.433 0.982 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 753887673 VAIPFVLTVGIJRN-HUUCEWRRSA-N 435.502 0.727 30 20 ICED C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 757607443 XLELNJDQRNOOFG-JUSDVALNSA-N 432.477 0.413 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cnc1Cl 760384951 JQRLOQXYQRJEKJ-UHFFFAOYSA-N 445.932 0.314 30 20 ICED COCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C)cn2)c1=O 761836692 PVXCRVFOQPBFGA-UHFFFAOYSA-N 444.557 0.694 30 20 ICED C[C@@H](CC(=O)NCCC(=O)NCc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 773960387 SKZXMMSVSLPQAW-AWEZNQCLSA-N 429.502 0.721 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nc1 774852932 GEZTZRPALSQLCS-IBGZPJMESA-N 440.479 0.810 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)[C@@H]1CCCO1 776233309 VQRDKBGTANZCLZ-AEFFLSMTSA-N 432.502 0.378 30 20 ICED COCc1noc(CN2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)n1 780482099 AZLILJWKUAPTCX-NRFANRHFSA-N 439.476 0.630 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782810059 IPJYSBFRLYODOJ-UHFFFAOYSA-N 439.881 0.513 30 20 ICED C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782905699 OWTCEYOVBIQTFM-GOSISDBHSA-N 429.521 0.925 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCS(=O)(=O)C1 783480700 LNQBQCFTMPFZIB-INIZCTEOSA-N 428.474 0.262 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 783616643 NRYAXHZMFRSAAD-ZFWWWQNUSA-N 436.939 0.181 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCC4(CC3)OCCO4)C2=O)cc1 787409733 PZGKSVNBOGALKH-GOSISDBHSA-N 426.473 0.972 30 20 ICED COC(=O)[C@H](CSCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1)NC(C)=O 790001084 GJVRDWUDYKKNBF-RBUKOAKNSA-N 448.545 0.815 30 20 ICED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nnnn1C1CC1 792475748 XZRPRNDAJVEVJI-AWEZNQCLSA-N 444.521 0.063 30 20 ICED CC(C)COC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 804401220 HWBQCXIBHGHWCC-UHFFFAOYSA-N 442.520 0.975 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 814571798 AMMWRIFJVNROEW-UHFFFAOYSA-N 429.521 0.840 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C1CC1 839379717 AUCWZCQQKWOBST-UHFFFAOYSA-N 435.509 0.696 30 20 ICED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCS(=O)(=O)CC2)n1 917075603 JRNUSTWWWDEYCS-UHFFFAOYSA-N 428.565 0.469 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 918319587 SBDYJWVSWJQEAH-UHFFFAOYSA-N 433.472 0.177 30 20 ICED CCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 918988161 PDAJETCDTPWRKU-UHFFFAOYSA-N 432.842 0.832 30 20 ICED COC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)OC 1315803329 JYZGRDCDYNRFOV-JKSUJKDBSA-N 442.542 0.012 30 20 ICED N#Cc1ncn(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 1317751589 FIJMIMYSVZOXGR-NSIKDUERSA-N 442.482 0.896 30 20 ICED Cn1cc(CN2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1 1328274608 UBQFRQNAHVRMOS-LJQANCHMSA-N 435.488 0.841 30 20 ICED O=S1(=O)CCCN1[C@H]1CCCN(/C(=N/CCn2cncn2)NCc2ccccc2)C1 1336725038 PDHGDHGHEMVPMP-IBGZPJMESA-N 431.566 0.924 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1359467107 MPUBAUCKPPSBQR-OAGGEKHMSA-N 427.575 0.452 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505324275 MFCLVPWOFCOACP-LJQANCHMSA-N 433.472 0.905 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1644731012 TXIPUYDCAFHWGK-SNVBAGLBSA-N 442.423 0.758 30 20 ICED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1729590369 RKCIXYPSALQTRN-INIZCTEOSA-N 441.517 0.902 30 20 ICED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1760362394 JKMKJWUNXZRACQ-WBVHZDCISA-N 448.549 0.553 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)CCO1 1770752090 QHJXDDQOKMAXJU-SFHVURJKSA-N 437.504 0.836 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778388928 BKGBDFVEYUTPSY-QHCPKHFHSA-N 439.516 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN(C)C(C)=O)C2 1780735258 MPVWJNHNAIRITM-XMSQKQJNSA-N 437.537 0.878 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3cccn3)nc1)C2 1782013425 KXUGLZNCLPVAHS-VGOFRKELSA-N 437.456 0.483 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017176 BEAJXRCLBIOYAD-QVKFZJNVSA-N 437.493 0.503 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279711 OIHBRHBWEJUMCZ-HSZRJFAPSA-N 442.516 0.808 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(O)nn1 1785845315 ADMHHZFOSHPUNC-IKWHRECTSA-N 433.465 0.305 30 20 ICED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788489628 IKUZMVZHHZBRSP-BXOZUOBWSA-N 443.566 0.654 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788601091 VKSOGHIIXCJHRW-NRQFZQGBSA-N 448.442 0.543 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C[C@@H]21 1788660822 OBVXGJNRZXYAML-MMZWMSHMSA-N 432.477 0.910 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676752 FCOSFFSHKPCHFS-BHDSSALHSA-N 437.518 0.584 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790369866 HGDOWXRAFXMNOT-LEUOFYLZSA-N 432.521 0.832 30 20 ICED CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccc1C 1791078253 QMVQYDUFAPGAGQ-LNLFQRSKSA-N 427.457 0.635 30 20 ICED O=C(CCn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791648190 LJGHJKWQWKJPQL-FXRWFHILSA-N 434.497 0.177 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 1792489468 YSKPNWAYDGLZEX-BLACHMLSSA-N 425.485 0.438 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)ccc1F 1792583216 MEJSISLTAPBKLR-RACNMONISA-N 428.464 0.356 30 20 ICED C=CCO[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 1793353924 HZQJEKJBJJMHBS-UHDSXZAQSA-N 441.525 0.053 30 20 ICED O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793803803 MSMVSYBXJJMSPD-JNDAFWSDSA-N 433.553 0.450 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 1795598001 RIHYYAAVQRIBMC-UPHUGPLXSA-N 442.516 0.829 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705322 QOCDFTGQDOZVOJ-NRSFXHEJSA-N 427.567 0.887 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)c1 1798691360 ZCZOXQPODXVOOW-PEGIJTEDSA-N 432.330 0.445 30 20 ICED 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)O 1800751242 LISRELULGFZBEC-JCECYMMASA-N 437.537 0.654 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)n1cnnn1 1801436341 CIXYINCWFQIOOJ-QOEYFNNLSA-N 430.490 0.324 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1801600585 ZQEIDAAIABZKIS-BCDXTJNWSA-N 431.514 0.593 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1804173428 QUKWHSWIYKWMPI-QAPCUYQASA-N 442.478 0.731 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806082279 ADHQUZGFKAQKCN-RVSPLBMKSA-N 428.518 0.659 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1806614118 XRKCZBVISUZIID-IPJJNNNSSA-N 445.479 0.737 30 20 ICED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807116204 QKPTZSTVFWJTKI-HBMBXEBUSA-N 440.552 0.399 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815769708 SLPOMGIAJUKWOF-IHRRRGAJSA-N 432.481 0.573 30 20 ICED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1 1817295287 UVOLFFVQCKBVKG-QGZVFWFLSA-N 441.536 0.940 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827989621 LBFLRNCXOFVYFY-CHWSQXEVSA-N 445.501 0.364 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1830056347 VADBKFYCYNQJLA-JOCHJYFZSA-N 441.488 0.586 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1830303806 LAANAPMZBWYZBP-KSMMKXTCSA-N 431.555 0.674 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1831396441 MPTFMSRKSIRDHV-HTAPYJJXSA-N 430.505 0.328 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1831396510 NJJNRVNETDCUMV-ACJLOTCBSA-N 427.910 0.905 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831486448 XRDWJBLTUXIYNA-BEFAXECRSA-N 426.539 0.765 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832050576 MHLVKPUDWVGWSX-AVYPCKFXSA-N 443.566 0.771 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800254 MXODHOFZCFMVME-QGZVFWFLSA-N 443.407 0.459 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3[nH]cnc3C)CC2)CC1 1833075020 OJETWHODTKHIKS-PLNGDYQASA-N 428.537 0.762 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1833401553 REYIOAZECHMAIR-OAQYLSRUSA-N 449.529 0.359 30 20 ICED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1833427551 LCHPRJVFTVLEBQ-UHFFFAOYSA-N 438.532 0.225 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)cc1 1835702444 DJMJKFXAWGHDLT-REWPJTCUSA-N 435.484 0.723 30 20 ICED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@H]4CCCCO4)CC3)CC2)n1 1835767274 MAPLUCNFKTXUBP-WQZUMXOESA-N 447.540 0.529 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836316016 LUVHVXNZORTKJL-HSZRJFAPSA-N 445.491 0.989 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1836868531 YWZIYAXUFBPWQZ-OAHLLOKOSA-N 434.541 0.909 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836883875 GWHJNZWKJBLAFV-QFIPXVFZSA-N 443.504 0.782 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)c1 1836971407 SXGDEXNGBDXJFU-OAQYLSRUSA-N 440.460 0.249 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(F)cc34)CCO2)C1 1837039629 UUGXDTAWHQZGLF-OYHNWAKOSA-N 444.463 0.810 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1837400237 ADNZQTCIDBPNPY-HTAPYJJXSA-N 438.521 0.525 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1C 1837440840 AVTDKJSBURMQIV-UKKLRFBMSA-N 432.525 0.270 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837443255 ARYNGMFDONVNGV-IIHIVLJSSA-N 447.540 0.401 30 20 ICED NC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccc1 1837896884 KCEDAPVGHOYJSZ-HXUWFJFHSA-N 427.501 0.816 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)c1 1838740792 UROFHHDAKKGKFX-NRFANRHFSA-N 426.429 0.681 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1839174409 ZTRZEFXNNVURRR-OAQYLSRUSA-N 434.493 0.482 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5C=CCN5)C4)C3)c2c1 1839487598 CCINRZOHORNBQS-PGRDOPGGSA-N 436.472 0.033 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)C(=O)CC4)CCO2)C1 1839527778 QODIAUUZQVPIKL-OSPHWJPCSA-N 440.496 0.924 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839887766 PPPXNDKGIVFLPU-QGZVFWFLSA-N 428.392 0.169 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1840045065 PFQLAEUECPMQDX-YAQIIAKESA-N 443.412 0.152 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCCOCCOC)CCO2)C1 1840077984 WVYLXWXYEOPYQI-SIKLNZKXSA-N 442.553 0.725 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840160989 AQPDKJUCYQWWTC-UGSOOPFHSA-N 429.926 0.889 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1840174150 LFOXETCSSJDDHR-OAQYLSRUSA-N 443.460 0.325 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)c1ccc(O)cc1 1840219831 IVXZRSWNYQKEDR-WWEVIYMKSA-N 443.544 0.940 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1840843341 KZRAFDPGVAQCAA-GMAHTHKFSA-N 445.491 0.873 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1841601551 UOPDXQZLYZJWGZ-ZHRRBRCNSA-N 435.521 0.912 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 26193465 CGYVPDGGLXCGAA-CALCHBBNSA-N 435.550 0.858 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 409493063 ZMAPSHKAYWTTFG-CYBMUJFWSA-N 444.535 0.147 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCCOC)c(=O)n1C1CC1 435177181 MAKAYZSGCHTPCA-UHFFFAOYSA-N 443.525 0.536 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)C1=O 440271652 VCQPHWMGAZKMSN-RHSMWYFYSA-N 439.476 0.662 30 20 ICED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 441620567 FUNOVTQLMIESDY-UHFFFAOYSA-N 425.493 0.894 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 442311811 CCUVTVMKLKJOGZ-UHFFFAOYSA-N 429.521 0.662 30 20 ICED CCc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460688306 JXPHZULHMGRHRP-UHFFFAOYSA-N 437.489 0.840 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c[nH]1 462445224 MOQUTMXBWCOMQP-UHFFFAOYSA-N 438.487 0.368 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 465418723 CXNUCGVMRWUFOV-CYBMUJFWSA-N 434.460 0.768 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 465482260 GRVMWLANKCCHSZ-GFCCVEGCSA-N 426.458 0.473 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(O)(CC#N)C3)CC2)cc1 473367866 AGMSJVJMSMCMQW-UHFFFAOYSA-N 434.518 0.095 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 478851473 GILZUGWBJRDKIS-HOTGVXAUSA-N 442.541 0.661 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)n1 480964190 PTIZQQBCKLDHOT-UHFFFAOYSA-N 437.481 0.521 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)Cc1cccc(F)c1 481217673 HTALITLEFZNUGU-AWEZNQCLSA-N 432.477 0.839 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)s2)c1=O 482549886 AXWVDIMHJNZLPQ-UHFFFAOYSA-N 441.582 0.920 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)CC2)c1 483681245 LEXRIMUSSXKKEG-UHFFFAOYSA-N 448.439 0.130 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 505159974 SHVWTPHUAOSBAU-QGZVFWFLSA-N 446.467 0.999 30 20 ICED N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CCN1Cc1ccccc1 510119440 OWSTULHOHFGXCO-QGZVFWFLSA-N 449.496 0.948 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3CC)c2=O)cn1 512743679 ZAOYVBGGXZEZNA-UHFFFAOYSA-N 425.518 0.359 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 518712736 ZKXMQMIXARFKLA-UHFFFAOYSA-N 425.558 0.991 30 20 ICED N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 518729867 DCGZTHWGJSPATI-UHFFFAOYSA-N 440.481 0.965 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 523743295 QCGCYZIDNMTELK-UHFFFAOYSA-N 431.489 0.447 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 524281422 WGALKKZQYPLXJI-UHFFFAOYSA-N 448.907 0.749 30 20 ICED C=CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533524510 SPEMTYFXMAEQRW-HOTGVXAUSA-N 446.616 0.939 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1C 534931254 OWVUAEARJGJFAT-INIZCTEOSA-N 444.517 0.697 30 20 ICED C=CCNC(=O)CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 538556787 NSYVMJLVPWFOQO-UHFFFAOYSA-N 425.467 0.132 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c2ccccc2O1 551192743 UODAWOAEPMIRHE-LJQANCHMSA-N 434.456 0.142 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 560014741 CQPSGEHUUAXVRB-LJQANCHMSA-N 426.565 0.597 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)n1 561599101 PREVAYDZFFUXFM-IBGZPJMESA-N 449.515 0.248 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c1 562067349 KMDOSXMYFKUDDS-UHFFFAOYSA-N 432.487 0.305 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C[S@@](C)=O 564598836 HPOFJJBAJKDKPE-NGFNCXNUSA-N 426.502 0.903 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 565864112 VWCUOOQOSXMRIY-UHFFFAOYSA-N 431.478 0.008 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1-c1ccc(OC)nc1 569179594 SDXRBEINILTLME-UHFFFAOYSA-N 440.456 0.699 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 574185068 RUPIMGKOKZCAEH-KRWDZBQOSA-N 440.552 0.614 30 20 ICED CC(C)[C@@H](CN(C)S(=O)(=O)c1cncc(C#N)c1)NS(=O)(=O)c1cncc(C#N)c1 589288802 KKNKNZZNFVCJPN-GOSISDBHSA-N 448.530 0.844 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 608911280 YJQWEKANWNGKAI-UHFFFAOYSA-N 436.896 0.607 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)COCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 609458580 RXYFXVWFHLBGQD-WOJBJXKFSA-N 432.569 0.388 30 20 ICED Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 610307773 BDYOECPSKMXYKD-XJKSGUPXSA-N 430.490 0.454 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 610478797 PWNTYCYUZZYCQK-UHFFFAOYSA-N 426.481 0.703 30 20 ICED 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20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831201504 NZAXQLFANPPMFQ-OAQYLSRUSA-N 431.493 0.263 30 20 ICED COc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831210048 XAMHBCDDYZIOBI-QHCPKHFHSA-N 427.501 0.893 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1831221597 TVNMVQSGULJFRJ-DEOSSOPVSA-N 438.528 0.253 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccccc1 1831275139 WSDSMSDBTBWNCW-RDPSFJRHSA-N 441.528 0.776 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831386652 BVNGFKMHMBIUBB-CYFREDJKSA-N 439.512 0.986 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1831427010 OWRDOWKRFNBYPI-IERDGZPVSA-N 429.477 0.390 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831493791 VSFMJFZAXWVUJD-UEXGIBASSA-N 442.626 0.033 30 20 ICED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834074378 APPMMEXTZPMLQC-OEBVFIGYSA-N 447.540 0.529 30 20 ICED CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834874665 BXSALSDXVJITHE-JOCHJYFZSA-N 429.473 0.763 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835317682 CCUZVICZJQGONA-QUZZAMIASA-N 440.500 0.662 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccnc1 1835675502 SMZUNLDPHRZGRW-UWJYYQICSA-N 432.525 0.182 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835702569 VWBAMFKZSYPTGS-NPPFBWRTSA-N 432.521 0.111 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)CCC(N)=O)CC3)CC2)cc1 1836530704 LHRGIGRPLGMDEM-UHFFFAOYSA-N 425.533 0.938 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836950613 ZQYYUXBGOUNCKS-QFIPXVFZSA-N 425.489 0.911 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073683 NOMOXEJUZTYZBZ-HTAPYJJXSA-N 426.473 0.443 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1837303277 OSMIYKWRIIOZDG-DBXWQHBBSA-N 442.578 0.892 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1837392580 FATPFFNYIKYPQI-VGSWGCGISA-N 434.537 0.680 30 20 ICED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486789 PZUAQJHVYRNHQS-CVDCTZTESA-N 436.549 0.548 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)O1 1837490892 FLJDIQUBWYRNJY-DNVFCKCGSA-N 434.533 0.709 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1C 1837524141 AAEPIZPOSYJBKB-RRPYSREYSA-N 449.508 0.328 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837526985 HONFNXJZGPXWIP-UIPCJRQQSA-N 437.415 0.924 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837528325 GUJNIHZCCOTOFU-RZBALULQSA-N 435.481 0.317 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1C 1837528335 HBAMIKLOOSMCCT-NOIVPASESA-N 448.520 0.933 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1837648392 HNYNALNKZVZAIL-YJBOKZPZSA-N 427.452 0.582 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837881955 YNOWSXICMUDWHI-QZTJIDSGSA-N 438.569 0.151 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1NC(C)=O 1838607048 AYLKBRVEIACNJB-NRFANRHFSA-N 430.461 0.637 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839175671 XSIBUVLBUWQNLE-QFIPXVFZSA-N 447.488 0.675 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186231 HWGTUDUUCQBRKM-JOCHJYFZSA-N 441.463 0.744 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839886951 RKRXDUYQXDOBHZ-IBGZPJMESA-N 426.464 0.939 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1840160962 AAOCGXFNAOVCIM-AOMKIAJQSA-N 447.557 0.807 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840165395 WORLGYSPYXLKTK-IAYHDBKASA-N 438.502 0.591 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840174388 AGZITVIBSPYBIK-IERDGZPVSA-N 441.525 0.295 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840432510 PLZCPENWWQBZBA-IERDGZPVSA-N 426.477 0.489 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840843219 BLLDHLJYVFIVHG-SBUREZEXSA-N 445.491 0.814 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840912653 JEWKAFCLYKXNNA-FSTVOOFJSA-N 448.520 0.754 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413896 FHOKMAPTWOTKSK-TYJAPOHBSA-N 442.538 0.144 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccnnc2O)C1 1844612364 HMNVAUSVHQKOKZ-HNNXBMFYSA-N 429.477 0.916 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846371353 OLCHNZBJULWKKT-QWHCGFSZSA-N 429.539 0.965 30 20 ICED O=C(COC(=O)C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848013272 SMYHOKRJNZOGCE-BQBZGAKWSA-N 438.252 0.649 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1 12826407 AFRXGAUXTQXLRH-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#Cc1ncn(CC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)n1 426451902 VTRRPPZORGEKLF-UHFFFAOYSA-N 425.474 0.621 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C(F)(F)F)c1=O 435250221 XVHLZZMFFIUKGR-UHFFFAOYSA-N 441.406 0.967 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 435765574 WTXZIXMZNWICMT-CYBMUJFWSA-N 449.562 0.917 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1=O 440284089 QTIBYHOZYHKTCS-QGZVFWFLSA-N 434.518 0.188 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)n1 441673413 YVMLOPBYXAVTNI-HNNXBMFYSA-N 445.277 1.197 30 20 ICED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 441976853 MDVNIRBPCHHFPZ-HOTGVXAUSA-N 442.563 0.527 30 20 ICED Cc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1CC(N)=O 444404083 KSWUBGVHQIZWNY-INIZCTEOSA-N 431.497 0.712 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCNC(=O)c2cccc(Br)c2)n1 444505813 FNOTZDKWLTXBRO-UHFFFAOYSA-N 433.266 1.044 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461358741 ADCJCELZKNAQMU-UHFFFAOYSA-N 449.479 0.935 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 468027907 GBYAUKIGJWMPCI-UHFFFAOYSA-N 435.550 0.037 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 474152140 GXUWBKWYJDDEHD-IBGZPJMESA-N 448.545 0.026 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)c1C#N 480483836 ODIJMWHXGMKTHJ-IBGZPJMESA-N 449.515 0.561 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2=O)cc1 488600981 NYPLMCRBXXQNMU-KRWDZBQOSA-N 448.418 0.529 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c(C)c1 489169664 IWFOABQOKBNMKY-UHFFFAOYSA-N 426.542 0.015 30 20 ICED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 497037607 XHARVVQISLVPGN-SFHVURJKSA-N 445.501 0.583 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 500076041 URQQCIZLLQZQAU-UHFFFAOYSA-N 436.534 0.396 30 20 ICED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 508252452 PWPXIMVDUXBRRM-ZDUSSCGKSA-N 448.480 0.752 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C)C1 509810472 SIAHPCDPAYXMEF-CYBMUJFWSA-N 448.480 0.704 30 20 ICED N#Cc1c(CCCNC(=O)CSCC(=O)N2CCOCC2)nn(-c2ccccc2)c1N 516077439 MYWXCZLODMNISZ-UHFFFAOYSA-N 442.545 0.967 30 20 ICED CN(C)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 517178973 JCKFMYZCXOOQGX-UHFFFAOYSA-N 442.501 0.491 30 20 ICED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 535548521 NBDFNIHNJKXAJC-UHFFFAOYSA-N 434.478 0.557 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 538587231 NXFMQIWBFKNLFJ-GASCZTMLSA-N 436.534 0.710 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc3c2OCO3)c1=O 548617576 GKIGROALSVJYID-OAHLLOKOSA-N 442.493 0.784 30 20 ICED Cc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)nnn1Cc1ccc(C(F)(F)F)cc1 550879648 NGQFUKOUDZDUQO-UHFFFAOYSA-N 447.381 0.872 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3cc(F)cc4c3OCOC4)CC2)c1 551115531 MPUYJSHVVFOZLF-UHFFFAOYSA-N 439.447 0.966 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(O)CN4CCC3CC4)CC2)cc1 552207547 SWTFLOKJXVYEAS-NRFANRHFSA-N 432.546 0.532 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)CC3CCS(=O)(=O)CC3)C2=O)cc1 553853616 WCIVFAHXPAVXBS-QGZVFWFLSA-N 425.532 0.798 30 20 ICED CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 564071491 YDPIBZMPGRSKFW-QGZVFWFLSA-N 437.456 0.929 30 20 ICED CNS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 574438752 BWRWJFMXAYZVIA-UHFFFAOYSA-N 430.534 0.986 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 586858689 WZKMHPJMDIMGAM-UHFFFAOYSA-N 449.515 0.251 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 588375612 LDUYEDUFQCBKJI-WBVHZDCISA-N 425.489 0.126 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O 589160860 OYGCVVKZGCPHJO-UHFFFAOYSA-N 449.554 0.196 30 20 ICED CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609444469 KDSQVTHNHXAZBM-IBGZPJMESA-N 428.514 0.994 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611551469 QQOKQFZNTXALSO-FQEVSTJZSA-N 430.528 0.240 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 612231289 FIAZJDBUUNGOIC-QKKBWIMNSA-N 443.460 0.359 30 20 ICED N#CCc1cccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 619494493 DVUOFTGFNUPOQC-UHFFFAOYSA-N 449.510 0.875 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(F)cc2F)CC1 726924557 FLDALVFETLYPHW-UHFFFAOYSA-N 448.451 0.988 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 728531847 SQVLGXUOTUEVSY-UHFFFAOYSA-N 445.570 0.822 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 728532734 IOJQNLUUIOMGLP-AVRDEDQJSA-N 444.532 0.610 30 20 ICED C#CCCN1CCC(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 748671864 XSOVFGNJHFEOGV-HXUWFJFHSA-N 434.518 0.516 30 20 ICED C#CCN1CCN(C(=O)CN(Cc2ccco2)c2c(O)nc(=O)n(CCCC)c2N)CC1 748816345 RQXKCTSDXWEWGB-UHFFFAOYSA-N 442.520 0.708 30 20 ICED CSC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749753379 YDYIKOLHDOYPBX-IKBYJFNHSA-N 442.563 0.668 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)c[nH]1 753358416 MPNYEMBWMWEDCK-UHFFFAOYSA-N 434.433 0.812 30 20 ICED C#CCOCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 756489264 ZYSWDWMBODGSJQ-UHFFFAOYSA-N 437.518 0.523 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1 763845492 KQAKGNLTQGKPHQ-HNNXBMFYSA-N 436.490 0.485 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1ccc(C#N)cc1 767636550 KPJHWZFDQPMEQO-CQSZACIVSA-N 426.454 0.956 30 20 ICED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 779571072 XLUHFLWKXNUGQX-SQJPUDIVSA-N 427.505 0.791 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 781528278 UDNRURPYTHWLMU-IBGZPJMESA-N 438.594 0.255 30 20 ICED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCNc1ncccc1C#N 786083467 LKNYOQWQHOHRHW-UHFFFAOYSA-N 430.490 0.048 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 787063671 MPVSSUABTHPRPK-AWEZNQCLSA-N 436.384 0.179 30 20 ICED COCC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 794254009 HAIRHVFOTXUWDV-GJZGRUSLSA-N 425.507 0.834 30 20 ICED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 915798166 LYXWWZPTJDYWIU-LJQANCHMSA-N 431.474 0.513 30 20 ICED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 916935783 WHKVPVSVCLUPPQ-CYBMUJFWSA-N 437.412 0.611 30 20 ICED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1315653765 MOEDHLYKYIMTBW-CYBMUJFWSA-N 436.419 0.976 30 20 ICED N#Cc1ncn(CCNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 1328566351 ZRZZEJITMJXYBD-UHFFFAOYSA-N 434.386 0.639 30 20 ICED 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C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)c(O)n1 1839161897 YLCTYDOXPSMDGL-ZHRRBRCNSA-N 446.504 0.110 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1839174222 NLKMDPCDHWWBLQ-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228583 ISLBOMAQCYJKEH-GJYPPUQNSA-N 431.555 0.358 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839484152 ZPJUFTMTMMCLDH-CWTRNNRKSA-N 449.489 0.859 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839623419 XTTFHSGPRCJKNH-QFIPXVFZSA-N 429.521 0.202 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839654204 SMWFXRLKVWOWLE-UWJYYQICSA-N 438.594 0.695 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1839685189 JEWDJGRKOFMUFB-GUXCAODWSA-N 443.497 0.805 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1839890996 GIFFGMDLZJICLZ-APWZRJJASA-N 431.480 0.959 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)c(Cl)c3)C2)C1 1840042220 HDSMZGJSPVXGBJ-SFHVURJKSA-N 442.255 0.546 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1840044099 KXWHBPZHJVHXRR-QFIPXVFZSA-N 426.469 0.653 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840433617 ZMKXYZWSJOYEPS-UEXGIBASSA-N 435.525 0.777 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)n[nH]1 1840819935 OWRRISMJHWNTLI-JOCHJYFZSA-N 439.472 0.739 30 20 ICED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283011 FVPUGRDNNCHNKL-UHFFFAOYSA-N 435.484 0.605 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)cc(C(F)(F)F)c1 1845513263 RBZAEUKCYWOHNA-OAHLLOKOSA-N 437.422 0.987 30 20 ICED Cc1ccc(NC(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1S(N)(=O)=O 17224594 JQCHGEKLDXYOOQ-UHFFFAOYSA-N 446.485 0.934 30 20 ICED C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H](C)O1 435163875 AHQVLHLSRKFGKU-GASCZTMLSA-N 428.468 1.389 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1=O 440276034 LRWZNWNZFHPHEJ-CQSZACIVSA-N 428.898 0.895 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1 442080728 OLMPWARSSMDPHC-DLBZAZTESA-N 436.534 0.982 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C#N 472160094 SUBFEEZVYSSQTG-UHFFFAOYSA-N 439.476 0.842 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)c1C#N 472266618 VAAXMWZKABUXTC-MSOLQXFVSA-N 426.521 0.690 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)CC2)c1C#N 472280015 REQQSPHWTZLTPK-ZDUSSCGKSA-N 435.510 0.221 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 476208474 PTDMLPOFUDWOBT-UHFFFAOYSA-N 428.492 0.350 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N(C)CCc1ccccn1 481509141 JSMZQURXRTXMIN-HNNXBMFYSA-N 429.502 0.437 30 20 ICED COc1cc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 482851321 CFJXWPSBACVLNG-ZDUSSCGKSA-N 446.485 0.997 30 20 ICED COc1cc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 482852364 DPXSLWCNVLVKMN-ZDUSSCGKSA-N 446.485 0.997 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1C 484177668 MJKRDNXSEGIHQR-ZSEKCTLFSA-N 436.428 0.175 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1cccc(O)c1 487336341 RJOBVIDTOVOYPT-CQSZACIVSA-N 430.486 0.867 30 20 ICED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 492076474 ZFRIEDJXFBMEDW-OAHLLOKOSA-N 435.502 0.681 30 20 ICED CC(=O)N1CCN(C(=O)[C@@H](C)N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 494487703 RDEGWEGWIYEZAQ-VQIMIIECSA-N 448.545 0.807 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1cnn(CC)c1 512743407 WQJQSZOWAXKLPX-UHFFFAOYSA-N 425.518 0.361 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C1CCN(C)CC1 517990584 GRBSWEWQCNLXRJ-UHFFFAOYSA-N 446.598 0.894 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 521051802 OTOQEPSBAAAGOF-UHFFFAOYSA-N 435.469 0.932 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1=O 523378934 AUVBJMFFYHESLF-UHFFFAOYSA-N 448.480 0.297 30 20 ICED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(OC(F)(F)F)cc1 530877300 RJYMINWQZZQFOX-CYBMUJFWSA-N 445.379 0.672 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 532505328 DFWRQJFTPGWLNK-MJGOQNOKSA-N 433.578 0.852 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 533058464 LVKBVTZYVZPOSS-UXHICEINSA-N 434.562 0.638 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 533236978 UTXLCPQSECPIKA-KRWDZBQOSA-N 448.526 0.939 30 20 ICED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549644680 AVSUZQFYGQXTCR-GOSISDBHSA-N 436.557 0.559 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552289128 PHLZRMQLBCESOC-JKSUJKDBSA-N 437.422 0.528 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 555732278 GGBYYVPSFKJXQS-WOJBJXKFSA-N 441.532 0.643 30 20 ICED CN(CC(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 557593206 PGOIELVIXQYEQF-NVXWUHKLSA-N 442.563 0.403 30 20 ICED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)CC1 557704844 KQVMCSGVEDOLSV-HOTGVXAUSA-N 425.580 0.457 30 20 ICED CCN(CCCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)S(C)(=O)=O 560305180 XPGAMYSJZZNEID-UHFFFAOYSA-N 436.534 0.716 30 20 ICED N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561262115 FBMBQDFRSWOPJW-CDQYMSJRSA-N 436.472 0.714 30 20 ICED Cc1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cccc1N1C(=O)CNC1=O 562912263 VAPIQLOKQGPRPC-UHFFFAOYSA-N 427.442 0.840 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2nc3ccc(F)cc3s2)c1=O 578280956 KCZFTMSOKUCFNW-UHFFFAOYSA-N 432.502 0.944 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578286795 LYUNVMMVPNFGDU-UHFFFAOYSA-N 428.536 0.109 30 20 ICED CCC[C@]1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 583523174 OWWAWYPHGZKEIW-NRFANRHFSA-N 434.562 0.876 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 589809767 QOYBACLWIWHFDG-CABCVRRESA-N 437.518 0.636 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(OC)nc1 608884074 RTBZZOVLSGCZPA-UHFFFAOYSA-N 428.420 0.830 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)c2ccccc2OCC(=O)NC)C1=O 671062085 KKODACATCVMEAV-IRXDYDNUSA-N 430.505 0.624 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 728534766 QTLVUFLJXWPHES-UHFFFAOYSA-N 446.573 0.297 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(Cl)nc1 732564784 QMCQRNOALVJIRN-UHFFFAOYSA-N 440.916 0.969 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749806544 OFUQHLBISKLJBP-UHFFFAOYSA-N 443.471 0.625 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 749875081 SXLKAIOGUAJBGI-LJQANCHMSA-N 433.306 0.994 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCSC)c2=O)cn1 751831552 JWNVBVREBQVFPB-UHFFFAOYSA-N 435.575 0.145 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)nn1 762464137 QPZPJCZLMIMFLX-QGZVFWFLSA-N 437.460 0.995 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCS(=O)(=O)CC3CC3)CC2)cc1 765964057 KJMSKDONGBLBIV-UHFFFAOYSA-N 440.547 0.399 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)ccc2Br)c(=O)n(C)c1=O 771897436 MYGKVXZMAHLKNE-UHFFFAOYSA-N 435.687 0.812 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1=O 778585161 TUYYLZXRHBJEMA-HOTGVXAUSA-N 435.525 0.736 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)n1 781539680 CLEIYQDKMHNBEA-CYBMUJFWSA-N 429.408 0.860 30 20 ICED CC(C)N1CCN(C2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 787759262 MTKBONNIWBNRSH-UHFFFAOYSA-N 427.553 0.498 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)OCCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)o1 796278389 ARQOJIJURCSCEX-UHFFFAOYSA-N 441.448 0.062 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC2(CC#N)CC2)C1=O 797426588 JYVHUWHCIKJQEO-VKWHMPGMSA-N 449.558 0.964 30 20 ICED CC1=C(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)Cn2nnnc2N1C 798159859 DAMOGBXUOPEWCZ-UHFFFAOYSA-N 436.455 0.925 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800635755 WTPZHLDCQUHZCJ-OAHLLOKOSA-N 427.505 0.696 30 20 ICED C=C(C)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802601564 YERPWZJEHZZZOT-INIZCTEOSA-N 443.595 0.761 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C#N 809501163 DYJJORXSTDHKQA-UHFFFAOYSA-N 441.532 0.586 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 810392708 FGYGYLZFYFVQBU-NSHDSACASA-N 444.263 0.945 30 20 ICED Cn1nnc2c1C[C@@H](C(=O)[C@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 810534042 DFWODFYAQMQXQL-YOEHRIQHSA-N 437.460 0.886 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 812278977 QJWATFHLZYXXII-ZDUSSCGKSA-N 429.473 0.345 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920108179 PMIPJISFXLEMBS-CZUORRHYSA-N 438.462 0.467 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1151072147 QRWMBTZNNVUOCV-ZDUSSCGKSA-N 438.506 0.477 30 20 ICED COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1301031429 WQXXJTWRABJCPK-RBUKOAKNSA-N 428.541 0.978 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1314555256 ZQYCCVIZABVWDL-CQSZACIVSA-N 433.538 0.574 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)ccc1F 1317995586 MOZDFSLDYVHIQG-UHFFFAOYSA-N 440.497 0.500 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2=O)cc1 1327866082 IURJIRYLLWDJGA-ZBFHGGJFSA-N 429.458 0.574 30 20 ICED CC(=O)N1CCN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1344393357 QLMBHLKKUSEIDW-DQRAZIAOSA-N 425.489 0.888 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1507869125 RYXQBFXUFOTLMV-CYBMUJFWSA-N 442.933 0.284 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1512586754 VSUJHAVUPCRAOQ-IFXJQAMLSA-N 434.522 0.342 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1541946231 RLRVKOHVRSEHLP-STQMWFEESA-N 439.473 0.230 30 20 ICED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@@H](C)C1 1722781315 FFFRWQXLQDSFCC-AWEZNQCLSA-N 431.522 0.423 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1747451553 CKQVDCUAASLBBM-HKBQPEDESA-N 443.577 0.796 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1779000199 RUZLJHNUGPQHEX-LJQANCHMSA-N 428.627 0.912 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1779060371 AUAWEJMITGCRJX-HSZRJFAPSA-N 428.533 0.800 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779422806 OTBSMFWQENNMBK-TTWSGEDWSA-N 434.497 0.321 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)cc1 1780408385 QBVNSSDJCOHZCF-NJNPRVFISA-N 427.505 0.279 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141509 FZJXJBDRWDGUMM-ZQMYSKGWSA-N 448.564 0.875 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781541764 QCOYKBWMLHVWCN-GSHUGGBRSA-N 435.521 0.812 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1O 1782009571 POCSOFKOZKRVFF-XMSQKQJNSA-N 430.457 0.545 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1782190063 WLUBDYWPUZRMRS-AUSIDOKSSA-N 441.532 0.948 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558625 UBPSLGQBNSHTIG-VXKWHMMOSA-N 449.504 0.694 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1784542087 XTJWAOIVPHMJFS-ZJQBRPOHSA-N 425.473 0.599 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1785427498 BTFJHZJTOZOHOQ-VXKWHMMOSA-N 435.521 0.914 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC#C)NC(=O)OC(C)(C)C)C2)C1 1785572904 SINARGKDBWLAMQ-PNCHPQGNSA-N 447.532 0.771 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786362587 YTJDJDXDDMAINQ-QAETUUGQSA-N 436.509 0.516 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)nn1 1788660521 VAWHJCPFCCFIJG-PPYUBFJKSA-N 447.492 0.608 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]32)no1 1788667409 CUMWEYJBTNWLFC-DNUAJFIVSA-N 438.550 0.647 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788959665 FLVHGQNAOWOAED-MPGHIAIKSA-N 425.445 0.659 30 20 ICED C=CCO[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 1792884706 WHIUCZYXCBEGSS-KSWRQPAISA-N 441.525 0.053 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)C1 1792968835 PTGSZLCHJCGWBE-HZKQSDJQSA-N 446.544 0.864 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1[N+](=O)[O-])C2 1793345049 IBSURWVUMDOYPD-WGVRVLLMSA-N 445.472 0.774 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1793568173 BYEUNGCKICVFPQ-HAGHYFMRSA-N 440.537 0.359 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc([N+](=O)[O-])ccc1F 1793807364 YWRAYPRKCKWVDS-NTNQKNOYSA-N 433.436 0.904 30 20 ICED O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793860640 KQDULJDZXZKJRJ-FAQVEIGNSA-N 435.480 0.676 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(-n3cnnc3)cc2)c1 1795494883 PFMZQPBSMFDGPV-XEMDLRDOSA-N 431.456 0.984 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795605359 RTJXHRSYOKMVJC-YNNUGWCRSA-N 428.537 0.943 30 20 ICED O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800893290 UWVVHIXGYZBGGU-OPMZPASUSA-N 431.533 0.287 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810150300 FJFQAZFRRUDRSU-JTDSTZFVSA-N 441.536 0.994 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812812881 QCNCZNCGDDUEOP-BEFAXECRSA-N 430.461 0.700 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@H]1c1cccnc1 1813035372 IDHNHZUBFGTGML-RRCSTGOVSA-N 428.580 0.734 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1813468210 ADNFNDIJAYJAGS-GPCPZZTRSA-N 438.492 0.194 30 20 ICED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1815115702 ZFXHQEIXSNRLFB-QGZVFWFLSA-N 433.534 0.546 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1823749436 PAMKGHIQVFFSGY-MGBKSAOESA-N 430.549 0.991 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824528060 SPQZHURMVPRZOL-SZZPACECSA-N 442.501 0.170 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1829773748 SPNPBAVMYRYCQL-LRSXXACBSA-N 429.876 0.226 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829873766 UQFVZAUXFJOJLA-QEPGBGQSSA-N 438.525 0.068 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458898 LRXSHWGLIJCYCM-QFIPXVFZSA-N 438.488 0.688 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1831387346 PFHGGGJHXADELW-HRAATJIYSA-N 435.908 0.772 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1831998983 VWTODIBGEILCBU-KKSFZXQISA-N 439.509 0.501 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cs1 1832972046 YAHAIYCKGPBSPB-HXUWFJFHSA-N 429.502 0.964 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc(C)nc3)CC2)CC1 1833073945 RENJXAVXOWVMBT-PLNGDYQASA-N 440.548 0.829 30 20 ICED Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1833543957 HFPNVGPINPMNSC-XZYKOBSISA-N 434.493 0.922 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 1835061816 SGWXQKYQIAZKPB-UHFFFAOYSA-N 429.569 0.806 30 20 ICED Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1F 1835672970 PGWLQGSPUKVZFP-FQEVSTJZSA-N 436.488 0.209 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835705473 HYLZIFFICCNDNJ-DENIHFKCSA-N 446.504 0.047 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837399523 VSRXHYSSJBVEDH-JTSKRJEESA-N 443.504 0.372 30 20 ICED Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)o1 1837443868 LTMZNRIUATXHSW-MHRHTVJOSA-N 433.509 0.833 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525442 WKQJZWKVWVFSQA-JJOCEZFHSA-N 441.550 0.891 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnoc4)C3)C2)c1 1838581581 BLNUYVMNWCXMEW-OAQYLSRUSA-N 426.429 0.939 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1NC(C)=O 1838607053 AYLKBRVEIACNJB-OAQYLSRUSA-N 430.461 0.637 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951448 QQWOMQHJCUEQMO-OPAMFIHVSA-N 426.473 0.319 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CCO2)C1 1839080789 KFHGDYSCAGIKTG-FZONSQQESA-N 449.548 0.435 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186238 HYPMCCJQIZNJDU-QFIPXVFZSA-N 441.463 0.744 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839222645 UZVGELQHZGJVTD-GUXCAODWSA-N 426.514 0.158 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1839228123 SYMCWWRZZJZFGY-KKLQWCBXSA-N 447.532 0.847 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839488916 IUKQVKZMLIHCCW-RBZFPXEDSA-N 429.502 0.823 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840819175 UNGAHCBXJRJDNB-JOCHJYFZSA-N 437.456 0.497 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840939506 HNXXVHQGLKOEPD-DEOSSOPVSA-N 447.576 0.627 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)cc(C(F)(F)F)c1 1848130991 UROKNKMOHNIWCK-ILXRZTDVSA-N 449.389 0.991 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/CCNS(=O)(=O)c3cccs3)NC[C@@H]2C1 305195864 LHJKWVCEYUGGGV-CYBMUJFWSA-N 429.568 0.907 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCO1 409493536 VZFJCOBYGUMPMR-UXHICEINSA-N 447.561 0.264 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436598269 ZJMHHKLODXZISH-OAHLLOKOSA-N 442.497 0.915 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 437051996 PYOIAIYSLDRLSS-UZLBHIALSA-N 431.489 0.960 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 442275864 PIOGXFIFLVKATB-UHFFFAOYSA-N 440.548 0.845 30 20 ICED C=CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3CCS(=O)(=O)CC3)no2)c1 445534797 WAPIMTVDPASQCM-UHFFFAOYSA-N 440.503 0.000 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 446528916 HNSHVBKMMOQJCS-UHFFFAOYSA-N 437.500 0.910 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCn1c(O)nc2ccccc21 460714689 DARIDTBJKXOWAK-UHFFFAOYSA-N 430.428 1.258 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)O[C@@H](CO)C3)nnc12 470380160 UNWYQVXPYCZPGF-ZIAGYGMSSA-N 429.502 0.931 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 490153892 ZAQOKMLVAVEOPY-UHFFFAOYSA-N 445.472 0.953 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1=O 500014416 ALPZIYMDJGSMSJ-FXAWDEMLSA-N 442.516 0.216 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nn1CCC#N 504547123 JCNYYJULJSCYTN-UHFFFAOYSA-N 445.505 0.040 30 20 ICED CC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cccc21 530362453 LFDWLSYMQLKSJQ-UHFFFAOYSA-N 435.488 0.797 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539206043 PNAFPRYULUEQDV-OAHLLOKOSA-N 429.525 0.603 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 540482935 CYLSICVXDCDYTO-CRAIPNDOSA-N 428.532 0.617 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542065160 DGKOQFBBXRSRSB-ZDUSSCGKSA-N 436.881 0.486 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(COC)CCOCC2)cc1 551345575 GFJVCLBILBOEOM-UHFFFAOYSA-N 439.534 0.991 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 552592164 WDOAVHSJJUCZHG-SFHVURJKSA-N 443.548 0.084 30 20 ICED CN(C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 561730295 ZIJVFTLGHKUXNM-RBUKOAKNSA-N 447.561 0.972 30 20 ICED Cc1cc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)ccc1Cl 562933287 DSOFKGHKVUQCOM-AWEZNQCLSA-N 441.897 0.494 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@@H](C)C1 578267662 WHHPWEJTJYBOPC-AWEZNQCLSA-N 425.449 0.173 30 20 ICED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1ccc(F)cc1 589467220 MMUASSHCIRUDMP-QGZVFWFLSA-N 435.433 0.712 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911942 WMYHUMIVXNGXJO-UHFFFAOYSA-N 449.448 0.445 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C 618433616 MKFSEAMMWFETBF-UHFFFAOYSA-N 425.510 0.661 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N[C@@](C)(C#N)C1CC1 731808972 KSPRNXOQEZKHIG-SFHVURJKSA-N 430.446 0.162 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 733150873 ZEADOYKQFJEXIT-UHFFFAOYSA-N 436.509 0.164 30 20 ICED Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)n(C2CCCC2)c1C 733564161 GYRXHIXQSARIIX-UHFFFAOYSA-N 429.433 0.994 30 20 ICED CCc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1S(N)(=O)=O 742424284 QYSWJNBDFMRQOK-UHFFFAOYSA-N 436.515 0.964 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1Cl 743731770 YULPDWSQOYBYFB-UHFFFAOYSA-N 429.889 0.544 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1OC 744030835 MQXDSLWJXYHYMA-HEOKHYPTSA-N 442.472 0.840 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 747784129 UZBPMHVGLHGYLC-UHFFFAOYSA-N 438.506 0.426 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 747881922 UDOXKCJGZUHWDJ-SFHVURJKSA-N 433.530 0.746 30 20 ICED CCNC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 749006572 WOQRLAFVSRTJML-UHFFFAOYSA-N 444.469 0.768 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1F 752046716 ZEDGISGXTBEUJE-BFUOFWGJSA-N 438.481 0.740 30 20 ICED CC[C@@H]1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 757119918 GNWIRVJKZZWDDA-SJORKVTESA-N 435.502 0.892 30 20 ICED C[C@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 764553433 CXODWVUIWPQHFI-ICLPOSBMSA-N 429.454 0.819 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCS(=O)(=O)CC1 766652849 XUDMPCVNLLIMPB-YPMHNXCESA-N 441.868 0.798 30 20 ICED C#C[C@H](NCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@H]1CCCO1 775807792 VSQODSFDEUTUED-DLBZAZTESA-N 425.489 0.703 30 20 ICED C#CCN1CCN(C(=O)CN2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 776834496 FJRSEYCBMITYAJ-LJQANCHMSA-N 447.580 0.308 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCN2CCNC(=O)C2)C1=O 781103197 OLKZSEIVKOZXED-CQSZACIVSA-N 441.916 0.979 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c1 785003211 BTOVXXQBEIPKHE-QPZCEUDHSA-N 449.533 0.598 30 20 ICED N#C[C@H](C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCS(=O)(=O)CC1 786417231 HNWOPWRXEAMQNT-MRXNPFEDSA-N 433.486 0.696 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795189043 ZNUQWVPQXGRGRQ-PBHICJAKSA-N 443.573 0.796 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1C#N 809503298 XCJIGFARFYRPRV-MRXNPFEDSA-N 432.477 0.935 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)c1cncc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 813981376 NHBRUYWYPKADRO-LLVKDONJSA-N 433.471 0.275 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916892880 RMCKSZLVFBJARV-CQSZACIVSA-N 435.506 0.228 30 20 ICED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667567 YVAVSMBCPJHBNH-INIZCTEOSA-N 433.486 0.870 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(N)=O)CC1 920093241 UIXRFDPNAGUBMW-MRXNPFEDSA-N 435.550 0.304 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 920201114 ZAGDGHPIWWMKEQ-UHFFFAOYSA-N 434.500 0.788 30 20 ICED C=CCN(CC(=O)OCC)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 921292456 GWZIRXNLFXHCSJ-UHFFFAOYSA-N 437.518 0.731 30 20 ICED CCN(CC)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1251440308 LDUZFIDCSRACBB-AWEZNQCLSA-N 430.552 0.843 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(CC#N)CC1 1319990607 PLIRDSYGBMOLDR-KRWDZBQOSA-N 427.548 0.920 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(=O)NO)cc3)CC2)cn1C 1321167400 LYQCFJFWWHMALT-UHFFFAOYSA-N 435.506 0.565 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCS(=O)(=O)C3)nnc12 1322595296 WRCPULOPRKQJQE-ZDUSSCGKSA-N 447.542 0.873 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1516848240 YPZDOAXOSRONDX-UHFFFAOYSA-N 447.565 0.524 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 1557462761 ZJNJIZMCFZNRBM-DOTOQJQBSA-N 427.548 0.920 30 20 ICED CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1610017693 OWDMJQPDTGZCCV-AWEZNQCLSA-N 433.538 0.921 30 20 ICED N#Cc1cn(CC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c(=O)nc1O 1636891197 HQDDQOKGUARXBK-UHFFFAOYSA-N 432.278 0.927 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1669431973 XIVMQAOSMIOZCP-UHFFFAOYSA-N 438.531 0.971 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1=O 1730786699 PTXMIWMCHQMQNX-AOMKIAJQSA-N 440.504 0.652 30 20 ICED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1760362392 JKMKJWUNXZRACQ-NVXWUHKLSA-N 448.549 0.553 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1766730796 KRTMRKMVKJDHQL-HNNXBMFYSA-N 434.522 0.893 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)C1 1770343815 OUECNSALCGHMSO-IAGOWNOFSA-N 431.522 0.274 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1770344714 VKXSNEUFNHLBJO-DOTOQJQBSA-N 443.533 0.410 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779065627 ZPDVBOYGHOQDQE-FQEVSTJZSA-N 431.449 0.460 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1779332186 CAECKDLVWLZVDE-GXYOHSSGSA-N 425.526 0.136 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)c(C(F)(F)F)n1 1781317391 MLDQCOIPTNFCJZ-SFHVURJKSA-N 442.394 0.424 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782557645 DDUDVWJYUJARIV-HTAPYJJXSA-N 431.537 0.753 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1783165689 LANCILYYVGREMJ-GSHUGGBRSA-N 437.537 0.799 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)CO2)C1 1783454428 HGXVZENKOHAFIO-KKSFZXQISA-N 448.520 0.756 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783612132 PIADUBULIZXKOS-STSQHVNTSA-N 447.532 0.600 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1784203213 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436.553 0.736 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796385524 YEGIOUWUQFZMCH-ZWUHOBOKSA-N 436.534 0.663 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1797784013 DETKIOQRWSKYOX-OIQBNGKOSA-N 429.517 0.109 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797838063 UFVCQRBQNUPNDU-PCQRCXRUSA-N 432.477 0.817 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798493139 WIZZOBIKQAVTNY-IUBBNIOJSA-N 444.554 0.481 30 20 ICED Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693467 CJGBEHZPKDDXMO-JJLQDPRZSA-N 447.293 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cc1OC 1801644407 YVPYHHYKMJIDRL-KULPGCBOSA-N 431.464 0.896 30 20 ICED 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)c1)C2 1802125450 YZHIHNIHQDIMLH-XMTFNYHQSA-N 445.520 0.540 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1802577650 JIZQZAFTCNHBPS-SXWKCWPCSA-N 448.527 0.795 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1 1803544481 WKUGJTCZIMSQOA-KAGYGMCKSA-N 428.533 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805265348 WYGWITORSPYFHN-SAJDBWTASA-N 436.472 0.755 30 20 ICED O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)C#CC4(O)CCCCC4)CC3)C2)N1 1806848948 KLSMHQHIAINZDN-QGZVFWFLSA-N 444.532 0.514 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CC1 1806852822 DDVABVRRTSRRAV-PZJWPPBQSA-N 438.532 0.555 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810244028 BMQKKVOTMTXFMA-GJYPPUQNSA-N 443.504 0.212 30 20 ICED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)sc2C1 1818585070 FSHSBRAFVBSFKB-SNVBAGLBSA-N 433.453 0.886 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705268 DPLWEOUEPLASCC-HKUYNNGSSA-N 431.624 0.446 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(C)c3)C2)C1 1829764904 YXAAKYIZWXSYBK-QATSOJGNSA-N 428.489 0.318 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c(C#N)c1 1830871933 OJWUIAVDBOMQAG-FYYLOGMGSA-N 445.516 0.583 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1831391729 USGZNYDRJJPRAJ-SBUREZEXSA-N 444.484 0.453 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1831426966 NFOCOVBXLMHMHD-UWJYYQICSA-N 436.509 0.191 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1831499611 XIQXBBRRFLZLST-UZLBHIALSA-N 445.582 0.922 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1831609086 LRTDIQJUYGQNET-OPAMFIHVSA-N 428.489 0.448 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1832000420 ORMJAQVBVUSFDM-QYWGDWMGSA-N 441.525 0.293 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833429346 UAOQDDUIZFLVEI-HXUWFJFHSA-N 448.564 0.815 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617388 GYXACPJLRBJPJJ-QFIPXVFZSA-N 430.505 0.564 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834527270 OKZHJGLBBNBXNO-IIBYNOLFSA-N 434.493 0.128 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)CC1 1834604631 HERPPOJAZGHLCF-UHFFFAOYSA-N 432.569 0.026 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CCN4CCOCC4)CC3)CC2)c1 1834637727 OQMSBOAUJODJMH-UHFFFAOYSA-N 442.564 0.794 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835069703 WNRZGCSGEMUGLP-CQSZACIVSA-N 431.493 0.111 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccc(F)c45)C3)C2)CC1 1835346587 ISSMENJZHGIPDR-NRFANRHFSA-N 427.436 0.847 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)[S@](=O)c1ccccc1 1835362593 OWSSSGZBHFGBFO-PMDYLXHRSA-N 433.530 0.943 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)cc1 1835407042 HXGGTWCIDQLVOL-QHCPKHFHSA-N 440.500 0.180 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835551333 GPTNOOVEWKFKCL-HRAATJIYSA-N 440.541 0.261 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836828530 OCNAXHSWBXCEBG-SBUREZEXSA-N 438.484 0.738 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836844691 JRCCDGWRWOYDND-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836866493 TYSJWZWLPHZUIL-HNNXBMFYSA-N 436.509 0.128 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837193493 NYIRLVFQFPMHQT-YLJYHZDGSA-N 433.534 0.982 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1837429145 SBHPDQDGGAYKRP-FQEVSTJZSA-N 448.600 0.181 30 20 ICED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)[nH]1 1837526135 SQKVAFWNMOPWBN-CHKZVEJASA-N 435.481 0.317 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1=O 1837560282 UXLLOJZCPLIMAF-HPARJBSBSA-N 442.472 0.167 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1837869626 ZFJZYVGRZWMQAS-UHFFFAOYSA-N 445.568 0.949 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(C)n1 1838043605 RSCASOJVHOEOEP-DHNIJCFSSA-N 446.552 0.524 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838584892 MIDYQJPURYIUKU-GAJHUEQPSA-N 444.532 0.977 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838647209 DVPKQGNAWQNDLZ-OAQYLSRUSA-N 431.493 0.139 30 20 ICED Cc1cc(C)n(CCC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838774350 ZANWSLZPXGMBKP-UHFFFAOYSA-N 430.505 0.977 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810522 BBOQRAPJNXKKNL-NPFVIJTESA-N 433.505 0.333 30 20 ICED C[C@@H](Sc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040106 OBPJTPJRLPJKFK-IIBYNOLFSA-N 432.498 0.712 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3ccccn3)CCO2)C1 1840423107 UPSPIXNTRLHMFJ-KGVIQGDOSA-N 433.505 0.896 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840716657 PKICBAURAKQLJW-AOMKIAJQSA-N 425.441 0.472 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840840406 QRQSYOMNPONXMX-WZONZLPQSA-N 431.533 0.647 30 20 ICED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)c1ccccc1 1844335647 UCEZBFZUIRCLPZ-QGZVFWFLSA-N 445.483 0.827 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197019 LJFJVLXIWYGJJH-QVKFZJNVSA-N 431.489 0.925 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 107673853 KAZGZAJYLDADAL-GOSISDBHSA-N 437.566 0.571 30 20 ICED N/C(=N/CCS(=O)(=O)NC[C@H]1CCCCO1)N1CCN(c2ccc(F)cc2)CC1 304751651 JNSXXULKEMZRCL-GOSISDBHSA-N 427.546 0.751 30 20 ICED C=CCOC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OC 435136983 ANFURZNQNFQEDK-CQSZACIVSA-N 432.520 0.172 30 20 ICED C=CCC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 435732590 PWDDFWJNBDPGSZ-SFHVURJKSA-N 425.489 1.504 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H]1C(=O)OC 442114405 OYFCISPNQLENSF-APHBMKBZSA-N 437.474 0.178 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3CCN(CC#N)CC3)CC2)cc1 461711442 KVAXLRXLFIMIEC-UHFFFAOYSA-N 433.578 0.653 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2c(C)cc(C)cc2C)C1=O 467683062 VJUOGXVEDQXVQQ-FHWLQOOXSA-N 449.573 0.981 30 20 ICED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 469097951 XIOGYDKOIYYIQI-CQSZACIVSA-N 433.534 0.935 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)c1C#N 472667180 FGTOXGPGTOSJKM-UHFFFAOYSA-N 429.432 0.590 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 480142343 MPRRMLCGVPDLPK-HOTGVXAUSA-N 437.508 0.980 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 480955957 CSNKKWRJZOXXKA-UHFFFAOYSA-N 428.495 0.798 30 20 ICED Cc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1S(=O)(=O)NCC#N 481133237 ARFJKNOZZNBZRN-LJQANCHMSA-N 433.490 0.247 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C1CC1 488257342 QRYDHJVRRPFPQC-UHFFFAOYSA-N 443.525 0.836 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 491258550 KUWCOKAIXDYRCH-UHFFFAOYSA-N 433.484 0.047 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 495386755 YNYRZLFZAJIFMW-LJQANCHMSA-N 449.515 0.700 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497581291 VWDVSTCMOMGZAW-CABCVRRESA-N 446.554 0.344 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1=O 499996910 OCSFKLSBJTWFOA-INIZCTEOSA-N 425.489 0.079 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505667459 ZQXGIAVSZSKORZ-UHFFFAOYSA-N 431.562 0.654 30 20 ICED CCC(CC)(NC(=O)C1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1)C(N)=O 513228315 JJIDFUGWJQAQIY-UHFFFAOYSA-N 437.504 0.775 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 520691257 HCMGUYLTXWLBEU-ZDUSSCGKSA-N 443.485 0.340 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 522284501 VSFREOQHXZZZNS-UHFFFAOYSA-N 433.555 0.678 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 532710999 WZHYKEAMVFOCQM-VIYSVWJJSA-N 426.583 0.393 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cc2)c1=O 538931629 LAHPFANSGQTTJJ-UHFFFAOYSA-N 431.456 0.730 30 20 ICED N#Cc1ccc(-n2ccc(NCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c(Cl)c1 541074209 PZUYQPQPQGKZGK-LBPRGKRZSA-N 436.881 0.822 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 546795455 WEARNTDOOHGOPV-UHFFFAOYSA-N 428.424 0.800 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 551730740 FFQOHLUABRSAHR-SJLPKXTDSA-N 434.518 0.605 30 20 ICED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)ncn1 569135980 QLYLERJRWKYKPA-LJQANCHMSA-N 448.531 0.739 30 20 ICED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 570355840 VNOTYPBHCFUQID-CQSZACIVSA-N 432.296 0.473 30 20 ICED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 580224505 PFZWTJLUNSDJHW-YLJYHZDGSA-N 440.548 0.170 30 20 ICED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC2(C#N)CCN(C)CC2)cc1[N+](=O)[O-] 583433392 CNGOMAXIWODMAF-UHFFFAOYSA-N 438.510 0.798 30 20 ICED C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587647228 HIVBYWVOOPXUIH-JKSUJKDBSA-N 426.521 0.944 30 20 ICED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 603839362 VGNJPMNXCTVUGT-INIZCTEOSA-N 448.501 0.191 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 604218776 JYKYVTFRGVMSLS-UHFFFAOYSA-N 433.432 0.687 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 609538039 KICJBPVEKPGISE-QYZOEREBSA-N 426.583 0.347 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)nc1 609686137 MKTYXHGPYDLNNE-FQEVSTJZSA-N 427.553 0.628 30 20 ICED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)CC1 615252593 NXIZVICHPPDGEC-UHFFFAOYSA-N 440.548 0.988 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 726576906 DAMHOJYKRLNICY-UHFFFAOYSA-N 436.518 0.941 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577290 MKYYISPQHSMOFF-UHFFFAOYSA-N 440.481 0.771 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 727010122 NBMULKCVHCWZFL-UHFFFAOYSA-N 442.516 0.983 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(CC)c2)c1=O 732562480 CGNDKVXVWMNSFD-UHFFFAOYSA-N 442.589 0.593 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738673373 GMBULGRXARMLHB-ZDUSSCGKSA-N 426.451 0.767 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 742067613 MFOYPOIARAGJEE-HNNXBMFYSA-N 444.561 0.345 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743727269 HKPACHCEVMMAFZ-UHFFFAOYSA-N 429.546 0.678 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O 754355440 DFYGWURPNBIBCB-GJZGRUSLSA-N 434.518 0.792 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 761032139 ZBLCOGVTOVRDIK-INIZCTEOSA-N 436.534 0.664 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 761108024 KVULHZNLPNOPPJ-CQSZACIVSA-N 442.469 0.271 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 762946013 WCVHDHUPDGSGED-CHWSQXEVSA-N 444.469 0.894 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCN(CCN3CCOCC3)CC2)cc1 767791660 VKQDAKJDMCCDHW-UHFFFAOYSA-N 438.550 0.926 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCSC)c2=O)cn1 772300681 RDGPSSQQZPZZOZ-UHFFFAOYSA-N 445.570 0.322 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@H]1CCCO1 773794210 XJIATCSFEOPRQM-ZWKOTPCHSA-N 425.489 0.376 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 777312417 BPOFDUANGDPCLG-LSDHHAIUSA-N 443.522 0.368 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 777443009 QHLKADJUSZFMED-AWEZNQCLSA-N 428.511 0.785 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 783347388 JUAKDUMYHOOUBR-UHFFFAOYSA-N 429.520 0.125 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786414158 IEFJPRHDHRSVSI-AWEZNQCLSA-N 434.497 0.525 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCOC3)cc1 790679357 JCIBOIDRTSJBRY-HAHDFKILSA-N 433.494 0.943 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1=O 793707391 NIWCIROQVQTBAF-IRXDYDNUSA-N 447.536 0.833 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 803597388 CYNQRULHRCBIDQ-QGZVFWFLSA-N 441.532 0.437 30 20 ICED C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 805062782 PSNFAWDYPGNKQO-ZBFHGGJFSA-N 437.541 0.967 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(N)(=O)=O 818124897 NPJMLWMPNIQNMX-AWEZNQCLSA-N 430.552 0.325 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 848374252 FASLAJGDDZRKFS-UHFFFAOYSA-N 434.268 0.282 30 20 ICED CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916240831 YQPAMWCPNLZWRT-UHFFFAOYSA-N 437.547 0.764 30 20 ICED CN1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1208406999 UAHRGBZXKPGUSS-UHFFFAOYSA-N 433.303 0.902 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1213442957 PFMHZMJMLSYBLK-UHFFFAOYSA-N 425.486 0.838 30 20 ICED CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1298705034 BDFQRCOCFBWROU-LSDHHAIUSA-N 440.474 0.900 30 20 ICED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1315195221 KGEWUHPIKCTKIK-HYVNUMGLSA-N 439.586 0.736 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1316359819 KXKAJJPLOGSHCK-UHFFFAOYSA-N 439.492 0.753 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 1360780802 LPZXXGSCJALASY-OAQYLSRUSA-N 429.525 0.893 30 20 ICED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475883 HWBCDVATSKHKOA-DYVFJYSZSA-N 435.531 0.391 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1455916509 QXRQNIVBIMIFKN-CYBMUJFWSA-N 431.474 0.641 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1508425353 QNFCILKMIWFGIA-QAPCUYQASA-N 448.549 0.747 30 20 ICED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1557981055 MTAUQEOZGWMULZ-QGZVFWFLSA-N 440.953 0.931 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1664352688 IXRGOVCJEXSAJY-OCCSQVGLSA-N 435.321 0.897 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)n1 1693432593 WSVVJSCXRXAJTA-MRXNPFEDSA-N 433.538 0.693 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1697914565 XIMPHQVAEGUQGQ-RTBURBONSA-N 429.477 0.996 30 20 ICED CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1706748723 XZIGGJFZLDBJOE-RVKKMQEKSA-N 428.559 0.756 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(O)CC1 1741125079 JUUVSGUYBYHBJR-CABCVRRESA-N 427.575 0.331 30 20 ICED COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1749337098 IPZZSWOWTSWYRD-XIRDDKMYSA-N 438.554 0.018 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1OC 1771338742 LRYMLKWKMJRHJB-HDICACEKSA-N 448.549 0.995 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(n2)OCCO3)C1 1777956023 BHLZCEZLFMMDBB-IIBYNOLFSA-N 429.429 0.068 30 20 ICED O=C(Cc1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1777993062 QADULWPSGDXMTC-JNSLRZONSA-N 433.509 0.995 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062879 MCFWHMWRXHXESM-AVRDEDQJSA-N 446.573 0.541 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779104118 GBHPQKYFDRVJCA-CFMOFGLISA-N 442.476 0.930 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779339121 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CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1784012938 MTGYQRMDROJWAA-FCHUYYIVSA-N 448.520 0.492 30 20 ICED CCC(=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 1784366307 XQAOUCDLCLJROY-ZHNBBLHESA-N 438.525 0.410 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1784854116 CBCUUIMBSOIFEV-ULQDDVLXSA-N 435.521 0.361 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785331636 BATGYRDJJGFGNP-PDTFXZCISA-N 436.534 0.291 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1785574399 IVYTZEOGRZBZLQ-HRAATJIYSA-N 446.508 0.025 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(-c2ccccc2)n1 1787534981 FJCHZKIMJHXAHB-QRFRQXIXSA-N 436.468 0.862 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cc(C)cnc34)[C@H]2C1 1788336775 NJXNVUVAWHTSCV-NEPXVJNWSA-N 425.489 0.669 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631713 RMXPCMMGDHVMFB-HAGHYFMRSA-N 433.549 0.579 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1791277020 XBTVYWBWLHYOGQ-ZQIUZPCESA-N 436.472 0.740 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791396058 REFZPBVXEVXNST-ZVZYQTTQSA-N 440.431 0.216 30 20 ICED CC(=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)C 1793197669 MZCFWIBSVKPGMD-FTLRFMLOSA-N 432.521 0.839 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)cc1 1794266211 SDAAOWQLETYCEV-RMFSNUHRSA-N 447.495 0.888 30 20 ICED COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794372717 LBTFSUXPWHDHPF-YSGZWNJSSA-N 433.465 0.217 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSC(=N)N)C3)c(O)n1 1794489168 KANCOMQLLLIKHI-FVCICTRLSA-N 433.534 0.736 30 20 ICED 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0.511 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)Cn3cncn3)sc2C1 1820061342 TXGSQZKSYCKPHV-LAYDCRAFSA-N 443.533 0.841 30 20 ICED CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826892852 QXJWYZKKYWZECN-ROUUACIJSA-N 435.569 0.951 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829630144 UHYDPCBXKIRGKH-QFIPXVFZSA-N 438.488 0.390 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1831388575 UUKRXYNCQJPMPF-KXTAVISMSA-N 447.444 0.696 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831411500 SNJYDAACIDFTBX-OAQYLSRUSA-N 436.509 0.482 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1831425140 QWLTVSMMYIPQKX-SFGWALBWSA-N 432.521 0.519 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831817273 YOTUORRDBZBINP-DYESRHJHSA-N 435.525 0.908 30 20 ICED Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833743155 GLIXJPYFEAMGCV-FQEVSTJZSA-N 435.550 0.803 30 20 ICED Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)no1 1833809775 TVQSYXWZPOSSDA-UHFFFAOYSA-N 445.568 0.774 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833895867 KPZHPDWCHUDCEY-NRFANRHFSA-N 436.509 0.793 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc([N+](=O)[O-])c1OC 1834765165 MGRQNCBIZNZGKO-FQEVSTJZSA-N 448.432 0.596 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100392 QLKHAJZKFFMXII-YKGWIAGDSA-N 432.542 0.653 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CSC(=N)N)CCO3)cc1 1835505723 ZJIUYHXPRQEBPK-NRFANRHFSA-N 445.545 0.574 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1835678024 UYBLJPLEKWHFMO-QHCPKHFHSA-N 443.548 0.855 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750876 YDCQNRDEZLCNBN-SFHVURJKSA-N 446.592 0.768 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835859642 BYJHMZWDBVSDOE-OAQYLSRUSA-N 441.444 0.136 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837011212 OWIOXIUOLTUJPS-IERDGZPVSA-N 429.477 0.390 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837664618 SWHAAUWMIHMTFF-NRFANRHFSA-N 434.541 0.768 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838595736 ZSXSWECRPGTUCM-FQEVSTJZSA-N 437.880 0.901 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838732734 ZKNGPAFLWVQONI-QFIPXVFZSA-N 438.488 0.731 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838741786 BLFXVPLQBDJRIB-OPAMFIHVSA-N 439.472 0.819 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839176464 PUKAGNXQEYFBGV-NRFANRHFSA-N 434.493 0.157 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-c3cnco3)c1)CCO2 1839365903 MEEOHVIHARNFNY-JOCHJYFZSA-N 439.424 0.500 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN(CC)CC)CCO2)C1 1839678366 VJEHZIOIAOKSGE-MSYCTHLASA-N 439.597 0.994 30 20 ICED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839858883 WTIPPXYTBWARTE-DPZZJQGRSA-N 435.502 0.080 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1840041932 QEHBMEYWMMSJAA-HXUWFJFHSA-N 446.847 0.146 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840173012 WITTUDOVCVNQGP-IERDGZPVSA-N 440.541 0.261 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840423106 UPSPIXNTRLHMFJ-JBYIUTFZSA-N 433.505 0.896 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840494511 DEDNOPZZDBTCGC-JOCHJYFZSA-N 433.505 0.769 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840588216 XEQZUWSNDMONJS-GCJKJVERSA-N 436.553 0.541 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30596580 XHLLBTCUPSBBSI-GASCZTMLSA-N 428.536 0.219 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446526580 MDZAXDSDZSPSJY-UHFFFAOYSA-N 431.493 0.167 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 460602507 SZUGYSWXDBYQRI-QGZVFWFLSA-N 425.493 0.859 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 464009341 HTFDEFRNJFYJOU-INIZCTEOSA-N 447.430 1.197 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)cc1 482053654 KAAJJNBPPLPOSL-INIZCTEOSA-N 428.449 0.359 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1 484100062 WCGAGFVOVFDIBK-UHFFFAOYSA-N 436.472 0.674 30 20 ICED COc1ccc(NC(=O)COc2cnc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 488785359 OPPNGCQNHVBJQB-UHFFFAOYSA-N 433.446 0.395 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 507968475 CBQJTXJZPLNHRP-SZNDQCEHSA-N 443.460 0.501 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 508118331 LZLZXUOFROICQF-QGZVFWFLSA-N 444.517 0.580 30 20 ICED C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508475445 ZSXHSIWAUYLNEU-CQSZACIVSA-N 442.476 0.304 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 509802163 HIHFMKYNKBCZHI-AWEZNQCLSA-N 434.561 0.491 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 514822221 OMRHCVGEPTUBMQ-ZWKOTPCHSA-N 445.483 0.829 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc3c(c2)CCC3)c1=O 516370830 PXGTWBYXNTXZMA-UHFFFAOYSA-N 431.521 0.903 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 532704116 BLEJZNCIVDGXJC-LJQANCHMSA-N 435.594 0.899 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 539452558 CNXIXIBWQCZZGI-RTBURBONSA-N 437.541 0.548 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 540266625 IRCPTCPHORDLKX-UHFFFAOYSA-N 449.493 0.110 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 550259842 VXPZIBYMMWTNFT-JKSUJKDBSA-N 441.531 0.031 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)c1C#N 551252336 AXDOMBHVJOBBPD-UHFFFAOYSA-N 446.515 0.810 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@H]2CCCCO2)cc1 555465246 BEHZBLMURWZMRU-ZWKOTPCHSA-N 435.488 0.533 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1 559536781 ALBWWHPSHCVBJM-MRXNPFEDSA-N 443.485 0.665 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CC(N)=O 567435636 RKCAAQNVWQBDED-UHFFFAOYSA-N 444.460 0.503 30 20 ICED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cncc(C#N)c3=O)cc2)C[C@@H](C)O1 578403759 SXPVFMWCWHCCTK-ZIAGYGMSSA-N 431.474 0.552 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603792939 HSMLSEBXGBEVOH-UHFFFAOYSA-N 428.470 0.660 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 609503328 LVAPUYUETWTDBS-FQEVSTJZSA-N 440.548 0.752 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)s1 610784054 GWWWHJMFPOTRHZ-UHFFFAOYSA-N 434.543 0.096 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727160414 DRUJNIHXRYVXGI-UHFFFAOYSA-N 444.516 0.844 30 20 ICED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@H](C#N)C2)c1 729980118 LTUDEZBUEPAEDJ-LLVKDONJSA-N 432.296 0.738 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 731214392 JYDYYFIFAISTAG-OXQOHEQNSA-N 434.518 0.550 30 20 ICED O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 732156430 NGMCRWZWVLQTKN-FOCLMDBBSA-N 447.245 0.688 30 20 ICED C#CCNC(=O)c1ccc(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1 734480285 NIMOAYKYDCFVME-UHFFFAOYSA-N 426.498 0.811 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)n(C)c1=O 751639785 SAMADXSFUPEJAG-LBPRGKRZSA-N 442.457 0.106 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767953591 SYRSHYDOQUQVAK-UHFFFAOYSA-N 444.557 0.481 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCN2CCNC(=O)C2)C1=O 781104362 SFTSDUVVHPCPPM-INIZCTEOSA-N 446.533 0.144 30 20 ICED C=C[C@](C)(CCOC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 782441618 ZKPHHFQXTYZSIS-LJQANCHMSA-N 443.522 0.896 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 783012735 IGTMYLIVXBHIGX-UHFFFAOYSA-N 437.490 0.582 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(=O)N1CCOCC1 787493333 KZQUSSYRKCLAMB-GOSISDBHSA-N 425.489 0.605 30 20 ICED CC(C)[C@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 794522840 FFPFWCFXCAFPHC-LBPRGKRZSA-N 431.515 0.145 30 20 ICED CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC#N 799854857 XXSZKEVKVYPYRH-MRXNPFEDSA-N 441.531 0.626 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1 807172871 ORDFOLPXYDYOEJ-UHFFFAOYSA-N 439.432 0.592 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)C1 810384680 FMMVSPYTGYCMHJ-FZMZJTMJSA-N 429.433 0.831 30 20 ICED COCCN(C(=O)COC(=O)c1cscc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 814613799 UKICCYXORDUZKL-UHFFFAOYSA-N 449.489 0.957 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)c1 821172549 BEGXIDAJTMABQJ-MRXNPFEDSA-N 428.470 0.605 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc2nc(O)[nH]c2c1 894091970 ZKOGJIQZSBPXJL-UHFFFAOYSA-N 442.457 0.452 30 20 ICED CN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1(C#N)CCCCC1 914653752 LJBHAIQMTQSKON-HUUCEWRRSA-N 425.507 0.250 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 916664599 LGUJIOIEDRPGPT-UHFFFAOYSA-N 429.498 0.355 30 20 ICED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916873164 PWSVXJHAZKHCAY-MRXNPFEDSA-N 440.522 0.300 30 20 ICED COc1cccc([C@@]2(C)NC(=O)N(N=Cc3nc4c(c(O)nc(=O)n4C)n3C)C2=O)c1 920368663 YPYATOXVMGUMGG-LJQANCHMSA-N 425.405 0.182 30 20 ICED CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1301839130 KKUMMJHWBJHBDH-UHFFFAOYSA-N 445.549 0.813 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1515904946 ZNIIMGZIRSJZKK-ZACQAIPSSA-N 440.618 0.653 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1518918999 TUAVPPPWIROVCJ-YLJYHZDGSA-N 447.517 0.218 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1519530621 PCJKRUCRYBXAPC-VQIMIIECSA-N 433.513 0.987 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCSC1 1541926559 UPJRHLZMTZUOLX-GUYCJALGSA-N 428.584 0.886 30 20 ICED Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1542659810 LPVWJAIOELBCIC-ZWKOTPCHSA-N 446.533 0.697 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1711406615 IXLJBLAWIHILFD-NRFANRHFSA-N 425.493 0.827 30 20 ICED Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1729603883 OBOBVYHKYPXEFT-LJQANCHMSA-N 445.480 0.679 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ncccn23)C1 1778651161 NFZHKRWRYLDVPL-RADWXHQJSA-N 425.489 0.895 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCC1=O 1779061146 QDBGLNOWHGWRTB-QFIPXVFZSA-N 430.505 0.123 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779099069 PIJRFWPZDIEOQH-LAAGDHCCSA-N 440.566 0.394 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952177 AESHPWBVNZLAIR-BTYIYWSLSA-N 446.529 0.773 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)[C@@H](O)C1 1781111293 LHSWFEBKFBAXOR-BSRJHKFKSA-N 447.532 0.458 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)n1ccnn1 1782199525 RKUSENRKTPXXNI-QKKBWIMNSA-N 434.460 0.731 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1)c1ccc(O)cc1 1783160126 YVQUESIEVMRTQG-MBSDFSHPSA-N 427.501 0.985 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cccnc3)C[C@@H]21 1783531317 PRIMFVINYARXTF-NIWGMWRLSA-N 441.532 0.720 30 20 ICED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783846666 OIVJXLXPTMOKTC-VTRWRZSMSA-N 428.489 0.059 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783975488 IMCLQQQLUIHZBM-LJQANCHMSA-N 438.406 0.609 30 20 ICED COC[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 1787470030 PNZVPJCTTLJXHP-VJANTYMQSA-N 449.548 0.919 30 20 ICED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]32)n1 1787637148 PDWFDKFLCIDBOB-DWRORGKVSA-N 435.525 0.924 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788606353 LDBIZDNZIYASJM-RFUGLTPASA-N 435.554 0.348 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1789892477 VNMLVEPENVPLFU-MUGJNUQGSA-N 444.532 0.441 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790155136 BQHDNUALEIUILN-YEWWUXTCSA-N 446.504 0.679 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C(=O)OCC)CC3)[C@H]2C1 1792142502 LMYBUDGUJCAHKW-LEAZDLGRSA-N 449.548 0.873 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797387497 XVBDIVIRLYSHLD-SCAQPMJSSA-N 425.493 0.214 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc2cc(C)nn2c1C 1797438608 QSJKNYRJWIHMTN-WZEOQFAXSA-N 437.504 0.851 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ncccn13)C2 1797709843 APBBWHOVAATJIS-YVSFHVDLSA-N 427.505 0.814 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1797710302 ITYDUVYYWLSJFT-MVJTYMMSSA-N 431.489 0.645 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CSCSC1 1797840780 FRYBNKXCSWXJOP-BPKGMFCQSA-N 427.592 0.657 30 20 ICED NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799625105 WBXYPOYBUWOMHI-FDHDJMNUSA-N 427.505 0.460 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800036582 HZLGUXHUDPHYOM-YWVIFJGQSA-N 429.502 0.879 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2)C(F)(F)F 1800550929 CHPFAECZPLIARV-MIFYACCESA-N 442.438 0.995 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801403062 XPGKJXUVHJNLED-JKBNCDAYSA-N 446.504 0.968 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)C(C)(C)O 1802152167 QYXUHPJPCFIMFK-YALNPMBYSA-N 438.525 0.544 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807358605 LXZOVSRMJUTTRW-UZLBHIALSA-N 433.472 0.936 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2nccnc2C(N)=O)CC3)c1 1821603253 MAWGMODIPWUTNV-JTQLQIEISA-N 436.457 0.771 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)C3(O)CCC3)CCO2)C1 1829743991 QWNCRMSXBNFTKD-MBOZVWFJSA-N 425.526 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3sccc3F)C2)C1 1829762866 UOMNDIMCXTVDBP-HZQHCPKGSA-N 437.493 0.816 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829900811 OEGDWCIUTCXPCN-NDEDVSTASA-N 441.484 0.676 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831396873 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1836134766 XQLFVVVTUDPFJB-WUUFJKRQSA-N 445.501 0.235 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836449697 HQOOFOVRCUGAOU-JTSKRJEESA-N 443.504 0.601 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1836859137 QUKBIBFHCJIZTA-MRXNPFEDSA-N 438.594 0.507 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccn5nccc5c4)CCO3)C2)c1 1837160878 CBNDSEYVOMGLJY-QFIPXVFZSA-N 434.456 0.918 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)CCC1 1837321731 UVKYDGBGEQGIOO-KRWDZBQOSA-N 433.383 0.242 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837366965 KOFNLMMIUTUOQO-NRFANRHFSA-N 443.891 0.866 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837441926 JBGQMYJBHBLJHN-WWOVWOHCSA-N 435.569 0.400 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837676490 LWDHXQAIDQNQBQ-BTYIYWSLSA-N 431.493 0.261 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3ccccc3=O)CCO2)C1 1837686280 FJNJZDRIJJJQNW-IEGUWTFLSA-N 447.532 0.439 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838391919 BABQFVOCCXYPKB-CSUZIONRSA-N 435.569 0.981 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838417156 GQBUPPOGACXAFZ-KPZWWZAWSA-N 438.531 0.144 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4cccnn4n2)CCO3)c1 1838427132 XPXDZYZITJQNIQ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(COC)c[nH]1)CCO2 1838518633 NVSXWZVKASVJNM-JOCHJYFZSA-N 449.504 0.741 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c(C#N)c1 1839132119 UHBOJTUXBVFMAT-JOCHJYFZSA-N 430.505 0.127 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1839175983 OUQSIWQZMZFOPU-QFIPXVFZSA-N 446.504 0.375 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362318 LJUSZVILSDFSQE-MNQSQUENSA-N 441.484 0.942 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H]5C=CCN5)C4)C3)c2c1 1839487597 CCINRZOHORNBQS-AVRDEDQJSA-N 436.472 0.033 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)C2)C1 1839809970 XEAZEWDWPSNOTQ-TZIWHRDSSA-N 433.892 0.607 30 20 ICED Cc1ccc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2n1 1840042880 SUVRYERRSGAXFN-QHCPKHFHSA-N 437.452 0.701 30 20 ICED COc1ccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1840075332 CAYHURLNCGUPTL-WTCGPSRQSA-N 446.431 0.392 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840167042 SAYNRDGPFAWQQH-JOCHJYFZSA-N 428.489 0.914 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840291947 OIXIAEFFEPIWQJ-YLJYHZDGSA-N 428.551 0.317 30 20 ICED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1841259424 CZLQUOISPUKCSQ-UHFFFAOYSA-N 432.484 0.948 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1847838934 XGNAFCYAUCFJBR-YXWQFLTLSA-N 442.582 0.911 30 20 ICED CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 303905342 VMADICKSRDMGHZ-UHFFFAOYSA-N 430.509 0.284 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@@H]2CCOC2)c1=O 441935947 QIRDQHIPRKRVPR-HNNXBMFYSA-N 435.509 0.822 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 442114414 OYFCISPNQLENSF-WQVCFCJDSA-N 437.474 0.178 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 443701948 AZRFNEFWBBRGAM-RHSMWYFYSA-N 429.516 0.917 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(C2CCOCC2)n1 472852325 QSHJGZQCFBFFIM-UHFFFAOYSA-N 440.508 0.744 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 480414485 IVLDUJASTVGDRG-MRXNPFEDSA-N 442.545 0.688 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)c(C)c2OC)CC1 484015042 KVKTVMZZNHEMHE-UHFFFAOYSA-N 434.493 0.406 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1O 488187909 WATYXHQEOHEMHP-WMLDXEAASA-N 447.513 0.907 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c(C)c1OC 488250736 FVWQPDMFATVFRN-UHFFFAOYSA-N 445.566 0.851 30 20 ICED C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@H]1N1CCN(C)CC1 497478828 ZORLZOCZPCPOEZ-YLJYHZDGSA-N 433.578 0.977 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498973269 BTFXIMYJNHBURZ-DLBZAZTESA-N 425.576 0.679 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c(C)c1 502055949 VDIPKRKXHGNVIJ-UHFFFAOYSA-N 449.536 0.611 30 20 ICED CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 509013720 HMACKNAPAFPRFO-UHFFFAOYSA-N 435.506 0.334 30 20 ICED CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510344320 TZYJCBTVVATIMT-RHSMWYFYSA-N 442.563 0.355 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 514762191 HXYHMDNCEUNSSE-HXUWFJFHSA-N 441.517 0.402 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 516375224 VYSRNGBXRNKDHH-UHFFFAOYSA-N 438.553 0.967 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C#N)cs2)c1=O 531370780 GBEDSVUQKKRISG-UHFFFAOYSA-N 446.554 0.535 30 20 ICED COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 550490235 FMBNEKZDIWKILG-UHFFFAOYSA-N 436.472 0.503 30 20 ICED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 553126524 KPSXJBNMNRGMQI-INIZCTEOSA-N 435.488 0.582 30 20 ICED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CCS(=O)(=O)c1ccc(C#N)cn1 561683799 RRUMSFXWMZBAIG-UHFFFAOYSA-N 436.471 0.585 30 20 ICED CC(C)CN1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561707622 QJETZLFAYRYYRG-WOJBJXKFSA-N 425.533 0.869 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 572559777 VYVIGVMMMFMNJI-AWEZNQCLSA-N 427.914 0.927 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 589299072 IYMGTSAOOJYLJU-UHFFFAOYSA-N 430.446 0.489 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 610696930 VWHLWTYAGAVZRB-OAHLLOKOSA-N 435.554 0.820 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 612201965 MWZGQIIZPRTOCP-UHFFFAOYSA-N 441.448 0.621 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 726279820 ZDNOSTRPALDJBQ-UHFFFAOYSA-N 436.534 0.603 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 731128002 QATSRKPVSQTYTM-UHFFFAOYSA-N 446.441 0.640 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 734292754 URAVGMLTFLAVDZ-MRXNPFEDSA-N 429.433 0.931 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 743889598 RUPVZVWVCLZFNA-UHFFFAOYSA-N 437.435 0.802 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 747735446 UODVZDKFONQDQB-UHFFFAOYSA-N 433.530 0.618 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 749694871 XFJBAIGIMVSHGZ-USCXLKSCSA-N 435.550 0.991 30 20 ICED COC(=O)c1sc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c(C(=O)OC)c1C 751822923 IMKYPJHWRLNGHT-UHFFFAOYSA-N 425.444 0.959 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 756886001 MUPKPVVLVQKLPF-KBPBESRZSA-N 440.526 0.272 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766346185 QUYCCOBUUAZFHQ-KRWDZBQOSA-N 447.561 0.270 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 772585880 BBTJARSFVKQGLE-KBXCAEBGSA-N 431.518 0.931 30 20 ICED CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)cc1 781104238 PDYJBRMDOFDQIM-MRXNPFEDSA-N 433.534 0.585 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3C[C@H](O)CN3C(=O)c3ccc(F)cc3)nc12 783348508 ARJDXKQSRJJOSW-JKSUJKDBSA-N 425.376 0.764 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 783350668 OHKHLDGWXXKJGA-HUUCEWRRSA-N 437.518 0.592 30 20 ICED C#CCOCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 784768112 KPAWYQKICNLLRS-HNNXBMFYSA-N 445.335 0.748 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060412 MKKJREFOBBURAN-IREHDKGXSA-N 440.412 0.472 30 20 ICED CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 787755447 LXTGJIMGGWYENS-MRXNPFEDSA-N 445.524 0.149 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ncnn1C 789612743 FQOMQHARJATWFB-RDGOFQKVSA-N 433.494 0.444 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 793733373 MNWKQRBOBGDJLR-MJGOQNOKSA-N 441.532 0.250 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1=O 797421449 POFHZUOHCMOFSL-QGZVFWFLSA-N 425.489 0.486 30 20 ICED CCN1CCN(CC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C(=O)C1=O 919148417 ZODVDMQOBVQFNG-OAHLLOKOSA-N 430.461 0.564 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919665368 ULNUAUUFIAEDCK-GOEBONIOSA-N 449.485 0.485 30 20 ICED Cn1c(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)nc2c1c(O)nc(=O)n2C 920370005 FGXKVWVEVIWJEU-UHFFFAOYSA-N 446.493 0.388 30 20 ICED C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 921304428 HHORPTNRRHPZBL-QGZVFWFLSA-N 439.559 0.436 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1 927569052 GQRXOZNSUDUIPO-SJLPKXTDSA-N 449.529 0.503 30 20 ICED CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1302970509 MCSAPHSKWXJJQW-KRWDZBQOSA-N 425.493 0.469 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1315631667 MWLMFXCLYUOJLT-INIZCTEOSA-N 436.476 0.759 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)c1 1316529965 DZNBSQJJSDRTCZ-MRXNPFEDSA-N 431.447 0.719 30 20 ICED O=C(Cn1c(=O)oc2ccccc21)NCC#CCNC(=O)Cn1c(=O)oc2ccccc21 1321421418 WLRMTHQEOQTVNO-UHFFFAOYSA-N 434.408 0.438 30 20 ICED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cn1 1504275774 NPIACFAVYXLQMQ-HOCLYGCPSA-N 449.537 0.659 30 20 ICED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cn1 1504275775 NPIACFAVYXLQMQ-ZBFHGGJFSA-N 449.537 0.659 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1517629585 TYLITEIISRMKLG-INIZCTEOSA-N 429.506 0.177 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541713042 PBIPVMIVSAYYDD-OAHLLOKOSA-N 444.583 0.248 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1627176863 MEYBZVAMJOEXMN-MRXNPFEDSA-N 441.517 0.884 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 1651931450 NDDUEDVETUIPEC-HNNXBMFYSA-N 442.563 0.244 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cn1 1693100977 LVZVAKZHGVPDNL-WMLDXEAASA-N 433.538 0.959 30 20 ICED CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1706642630 RATHRPXVGTVUJW-AWEZNQCLSA-N 433.538 0.921 30 20 ICED COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712418552 IPOKPTZZENNYJV-IBGZPJMESA-N 427.557 0.823 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)[C@H](C)C1 1722794627 TVAUQYDVQIOGAM-ZHRRBRCNSA-N 440.504 0.937 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1740745371 SSBFQJHFPCRRQI-NEPJUHHUSA-N 432.344 0.756 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1746308990 SYBBRMFWZIWMJX-UHFFFAOYSA-N 437.570 0.926 30 20 ICED N#CCC1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1771540071 UWVGRNJVWUMTDS-UHFFFAOYSA-N 431.522 0.805 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2)CC1 1778321943 SXRDLXUSCKGVBI-QHCPKHFHSA-N 445.564 0.453 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1779203782 RDENRQYIWFFCAG-RNKNFESXSA-N 442.513 0.366 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2 1779336564 RCOBTQPTUOVZHH-KCXPTXFHSA-N 439.553 0.225 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1781271392 PUNRUYLGEBOLKU-NRFANRHFSA-N 432.477 0.619 30 20 ICED CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1781766414 RXKDXNLSBJBHQZ-XMSQKQJNSA-N 438.488 0.698 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781861420 RPVOOZWZNLRGKB-FOIQADDNSA-N 433.465 0.173 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782407778 NGXVFTJFTHIHQQ-FUMRIQNTSA-N 438.484 0.483 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 1783532777 GSSBWRAWWWRUIA-OTWYLLFQSA-N 443.548 0.418 30 20 ICED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558758 YBMZDOMBJFFPOR-MBSDFSHPSA-N 441.484 0.503 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1784494056 LOWFAOWTOPBHGL-BZSNNMDCSA-N 448.520 0.220 30 20 ICED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784934882 QAESIZKBEFNQKK-UFYCRDLUSA-N 433.549 0.533 30 20 ICED Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658168 LVFBJFDGSLSHJL-VCARWTRWSA-N 435.481 0.688 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788658723 MVNVLWBSSVEBJM-SFTOWLAISA-N 449.552 0.967 30 20 ICED CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n1 1788659420 MOUPBPBPBPFJME-IRYRZFEGSA-N 448.524 0.981 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C[C@@H]21 1790792641 KYMLBDAYBQIBFW-FTRWYGJKSA-N 433.468 0.724 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)c(O)n1 1790849707 DHSSBKHHPLVHIV-WBAXXEDZSA-N 430.505 0.765 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829375 CFLRHHQPDIQEBC-RMYQPGKMSA-N 447.557 0.761 30 20 ICED 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)CC1 1795410036 GERKDKXDTZIYPE-QEOTZNIISA-N 448.520 0.250 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c2c1CCC2 1795598091 DMHLOZFCYDYLRB-JLVBRIDZSA-N 428.537 0.394 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)c1cnc(O)nc1O 1796344285 ZSHFLFCSJQSWOP-ZSBFGKGUSA-N 442.859 0.796 30 20 ICED COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796687734 XFUQPIYPEXZPSA-YITRHIPRSA-N 436.465 0.553 30 20 ICED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](S)C(C)C)C4)c(C)n2n1 1796924023 SKBGQPKTJAUMPC-LTCOOKNTSA-N 432.550 0.899 30 20 ICED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)CC1 1797783854 QSWFRVJWJLIENJ-IZZQQSIFSA-N 432.517 0.618 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)c1Cl 1798590365 PETOVKXFVRBIEP-ZSBFGKGUSA-N 430.896 0.255 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1799048190 AHPDGNFQNLDRKY-SCNOPHJPSA-N 428.464 0.837 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)N(C)C(C)=O)C3)c(C#N)c1 1799237629 VSQXFJMIYJZXQL-YMMPFGLASA-N 442.516 0.566 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(=O)C2CC2)cc1 1799441971 DOFGVOZDAKUNEY-CWPLJXCYSA-N 425.441 0.326 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)cc(C(F)(F)F)c1 1799784582 AFVNNRVFKUAUEB-XOIINTDNSA-N 449.393 0.467 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CCC#N)C3)C2 1800324887 JZMTZPNTUYDMOT-OAFZBRQQSA-N 443.504 0.516 30 20 ICED CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778061 YHIVOCSAEYHPMK-FVCICTRLSA-N 447.444 0.918 30 20 ICED 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]1CNC(=O)C1 1801675430 VZWXHOGPBKYRDR-KSWRQPAISA-N 432.521 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1 1802477630 QQBQISVFCVYNQH-KGPYNAKISA-N 434.500 0.979 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1803570492 WNGDBPQCISJVNI-IDHHARJASA-N 438.488 0.881 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@H]2c2cccnc2)N1 1806635398 IYFYYEUQROGRPR-FSKQJUNYSA-N 426.521 0.838 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700290 TUHZEXKXSRPOEC-SFHVURJKSA-N 441.594 0.539 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807000110 STMWDPKRTXKMLE-RVBASHTNSA-N 430.534 0.572 30 20 ICED N#CCCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738719 VSQAGQZKEPPBAW-IFXJQAMLSA-N 442.501 0.856 30 20 ICED COc1ccc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C#N)c1 1808268303 XGDGLPBTJIQOGE-RBDMOPTHSA-N 436.516 0.496 30 20 ICED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)CC1 1811536057 BCLVYBAUSOUTDL-SIKLNZKXSA-N 435.532 0.848 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813036348 SZFCJRFXSZQCLR-YXJHDRRASA-N 440.591 0.136 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1814052203 PGLOEIGFWIATHJ-IXDOHACOSA-N 429.477 0.846 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1819855639 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N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4COc5ccccc5O4)CCO3)C2)CCC1 1832502986 XPCUMDQFMGXMKL-WMZHIEFXSA-N 441.484 0.977 30 20 ICED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CN1 1833122639 IZIAFHSPOAUWRK-UPMNJHNBSA-N 446.596 0.556 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833465144 NOQCEHMUHRGVTN-DLBZAZTESA-N 441.594 0.277 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC)nc1)CCO2 1833885262 CHNJDSBKLWCOOF-XBKFQHLESA-N 442.516 0.572 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1834162462 XAVGUBPKYBOLHR-IQTGRTGDSA-N 429.477 0.511 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1C)CCO2 1834261312 BGLLCELWSNVAQO-FBQMEGEOSA-N 434.518 0.380 30 20 ICED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)N1 1834588438 HDGGVCWLNCVATO-LKFYKTPHSA-N 449.552 0.366 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834897381 MZUHGKFZPWCQEW-UHFFFAOYSA-N 432.525 0.359 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2)c1ccc(O)cc1 1834945715 XFFLITHOCXPRGQ-RDPSFJRHSA-N 443.544 0.907 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCOCC2)CCO3)cc1 1835184723 LZSVSKJQEWQYIP-QHCPKHFHSA-N 427.501 0.984 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)CC1 1835346175 TZWFTDDGIMAURM-FQEVSTJZSA-N 430.417 0.674 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836824459 ILHOTONLCKUANO-NRFANRHFSA-N 448.516 0.893 30 20 ICED C[C@@H](Sc1cccs1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837234921 VDUIMXBNVUKPKE-KUHUBIRLSA-N 438.527 0.773 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837397772 UHCGPWFCKYCNFH-ZHRRBRCNSA-N 443.504 0.601 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837480091 XRELPJGENHPEHB-YADARESESA-N 449.511 0.785 30 20 ICED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cnn1C 1837524256 DDZGGZCIBYLTSS-YIPJSWNASA-N 449.508 0.328 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1ccnc1 1837527271 ZTRHNHZFWMKKJO-FUCSDKOVSA-N 449.508 0.430 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CCC1 1837533243 MAWISBCTZSGWCW-MXZSFLGVSA-N 434.493 0.666 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837806153 VRTDBVKZYMYZBI-UWDDZFTESA-N 449.508 0.626 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837919401 MUGUFUOSCUYPDK-UHFFFAOYSA-N 426.477 0.443 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(OC)OC)C3)C2)c1 1838579510 NABDZSGFSCYFIC-OAQYLSRUSA-N 433.461 0.256 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn5cncc5c4)C3)C2)c1 1838737525 XEYBJTBSCLDJIK-QFIPXVFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839224967 ULJSQGPGZICKMB-ZWCUEREDSA-N 447.536 0.209 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccccc4-n4nccn4)CCO3)C2)CC1 1839379987 SASYWHJIVIPXLQ-JOCHJYFZSA-N 436.472 0.641 30 20 ICED COc1ccc(Cl)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044087 KELVYMCXIVMYRY-HXUWFJFHSA-N 436.848 0.507 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840163177 FDSYDIQHEPFJDK-SGTLLEGYSA-N 425.463 0.689 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840196307 RIXPBLLFXQNEMK-SIKLNZKXSA-N 432.542 0.609 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1840405571 WMDWYGFGTRTMSZ-GMMGEPQOSA-N 443.504 0.921 30 20 ICED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840522990 BFVUYTRFZAJNBS-LFQSBUTJSA-N 427.498 0.398 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840577129 LJCKFQLUZINBPH-KYPGUPDXSA-N 441.550 0.867 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1841598292 AUXAVAFQAZZARF-QGZVFWFLSA-N 441.532 0.943 30 20 ICED CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)C[C@H]2C1 1846196923 CXEYNBHOJGIBAX-NYHFZMIOSA-N 431.489 0.925 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 10780392 LASSBGNYXICLDU-AWEZNQCLSA-N 431.470 0.875 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 409592755 FPECMVCQEQLKPU-UHFFFAOYSA-N 441.529 0.561 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(C1CC1)S(=O)(=O)N(CC)C[C@@H](C)C#N 410128646 UIVQUBUTOVZGRW-HOTGVXAUSA-N 448.615 0.493 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CCO1 410147035 GQURHPQVJXDUQV-VQTJNVASSA-N 428.514 0.973 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)ccc1OC 434603686 ZTROOPIVVQRIKY-UHFFFAOYSA-N 446.485 0.746 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3c(-c4ncccn4)noc3=O)CC2)cc1 444411281 LRJKEIQAJHGMJS-KRWDZBQOSA-N 435.444 0.711 30 20 ICED CN1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460597462 MNORJYAEPFFPJY-LJQANCHMSA-N 436.520 0.706 30 20 ICED COCCCOC1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460610120 XGHOTUQQCFVDJY-UHFFFAOYSA-N 426.477 1.430 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1c1cnn(C)c1 471718203 SJDUXXGJHANLTE-VQTJNVASSA-N 426.452 0.678 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)c1C#N 472770536 ZYXKIIDNWUVROR-UHFFFAOYSA-N 434.508 0.603 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(OCCN(C)C)c3)CC2)c1C#N 472864346 XNRJIELJHSWNSK-UHFFFAOYSA-N 439.520 0.828 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-c4nnc(C)n4C)c3)CC2)c1C#N 472869377 JQWXPNHOTIWLNW-UHFFFAOYSA-N 447.503 0.991 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 478025454 NBFBQERDJRMCCJ-UHFFFAOYSA-N 441.576 0.814 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 486021824 ZIOVHQXFPQQMIJ-JTQLQIEISA-N 449.470 0.521 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488312990 MEVUGXDNIBBMFP-DVOMOZLQSA-N 443.460 0.336 30 20 ICED CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C 496288263 ZUICPRRXDJJGDN-LJQANCHMSA-N 440.548 0.312 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1Cl 504045771 XDPKAKBCSCYUTF-UHFFFAOYSA-N 446.960 0.360 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCOC2)c1=O 505658148 FZGYYFSWTSHTIF-HNNXBMFYSA-N 427.530 0.114 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508464817 OCBSCMAXLCTNAS-MRXNPFEDSA-N 447.463 0.936 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511453157 GSJZRRYXQBHJPP-CQSZACIVSA-N 430.442 0.614 30 20 ICED N#CCNC(=O)CNC(=O)N(CCN1CCOCC1)Cc1sccc1Br 511901944 RPKAHOBVVRNVRH-UHFFFAOYSA-N 444.355 0.994 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCN4[C@@H](C)CC[C@H]4C)CC3)CC2)o1 533265993 OFTIYLWLELBGQY-KDURUIRLSA-N 443.596 0.994 30 20 ICED C[C@@H](C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21)n1cnc(C#N)n1 538405185 ZCLSHUQGWWCCIB-ZDUSSCGKSA-N 443.489 0.871 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 538548998 RVRZDMOLFVQQQA-UHFFFAOYSA-N 436.534 0.997 30 20 ICED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540560657 XXUQGGGHVBKJKB-SFHVURJKSA-N 432.594 0.599 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCCN(c3nccn4cnnc34)C1)CC2 550153736 GCVRDIMFKVRGGD-MRXNPFEDSA-N 430.472 0.918 30 20 ICED COCc1cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(C(=O)OC)c1 551053369 ROZBKDNBALBUNW-UHFFFAOYSA-N 428.449 0.826 30 20 ICED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 556628263 ZZYNDAKLAJWMKV-AWEZNQCLSA-N 442.476 0.876 30 20 ICED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 562043173 RNPIOQDVQVVFDI-PMACEKPBSA-N 425.533 0.966 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 585737114 AOYNVFCXCLQJEY-GOSISDBHSA-N 441.580 0.428 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)cc2)c1=O 589416381 MKUATXUZNVJMEJ-UHFFFAOYSA-N 429.400 0.601 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1=O 600311689 CCHUSBAXQUWXAP-UHFFFAOYSA-N 441.488 0.105 30 20 ICED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 604155290 ZYBXIOKDFAIWLY-UHFFFAOYSA-N 443.441 0.938 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(=O)N(C)C 609450653 PYZOGMFUSNIYFN-UHFFFAOYSA-N 430.505 0.475 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610004931 UWZLNUJTIRSJAU-UHFFFAOYSA-N 426.442 0.690 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 610008827 ZQGAHHWOMLDDSH-LBPRGKRZSA-N 439.437 0.501 30 20 ICED CCCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727012036 DXBGSLHLNRXOIE-YOEHRIQHSA-N 435.502 0.645 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 728573213 LNZLZVCPTSGADI-UHFFFAOYSA-N 425.533 0.665 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc([C@H]4CCCCO4)n3N)CC2)o1 743458550 WLYMRZMAOBEYQS-CQSZACIVSA-N 432.510 0.843 30 20 ICED C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 744366185 GCHKVDPDIYIEGF-INIZCTEOSA-N 437.518 0.777 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O 744918874 OCXKMWVWPMDHKJ-NSHDSACASA-N 435.414 0.160 30 20 ICED C[C@H](CC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748374502 FSIUMYXLNMUGDB-MPBGBICISA-N 447.517 0.340 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)c(F)c2)c1=O 758049727 JWZLXWDLKRMRQN-CYBMUJFWSA-N 429.473 0.345 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn(C)c2)c1=O 767885013 ORAZXYOVRVHONI-UHFFFAOYSA-N 427.530 0.384 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 769847942 ZLORAQGPJFYKDD-QGZVFWFLSA-N 445.428 0.990 30 20 ICED CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 774482475 GJCVWXBKAUYZSX-JWGURIENSA-N 435.506 0.032 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 774956310 PJHOHURTQGSXPD-UHFFFAOYSA-N 435.532 0.415 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)NC1(C#N)CCCCC1 775916569 PGGUWSBCOFBHKN-UHFFFAOYSA-N 425.463 0.851 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@]23CCOC3=O)CC1 778248721 BSPQNBQAEIZJJZ-HXUWFJFHSA-N 432.502 0.173 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)cc1 784911724 MAMGAIYCQUKGJT-XSOQZJFOSA-N 440.547 0.374 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c1 785290892 OECGCZOBQLJNOS-VKQKCINQSA-N 449.533 0.565 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)c1 785344465 GTSAAHDAHQTFMS-JFLDFIPSSA-N 448.501 0.746 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccncc1 805809262 PTMOOWQGFYRGNB-KRWDZBQOSA-N 433.490 0.477 30 20 ICED CN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1(C#N)CCCCC1 914653749 LJBHAIQMTQSKON-CABCVRRESA-N 425.507 0.250 30 20 ICED COCCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc2S1(=O)=O 919541418 ITWZONBCKOBALY-IBGZPJMESA-N 437.474 0.689 30 20 ICED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)s1 920399091 MPSYCRUHWDTUFI-UHFFFAOYSA-N 431.587 0.969 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@H]1CCOC1 1261211407 UVOSEYDPDUWORQ-GFCCVEGCSA-N 449.483 0.423 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 1315067831 QHDGHNFXOVGMDE-SFHVURJKSA-N 448.549 0.996 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CN1CCCC1=O 1319894422 OPALQFIIFIGWOM-ZBFHGGJFSA-N 436.534 0.383 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@]2(F)CCOC2)CC1 1328754397 XFWJZCGWTJUVIO-SFHVURJKSA-N 425.438 0.063 30 20 ICED CCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1515841356 AVDGTHRGSOHTIU-ULQDDVLXSA-N 439.586 0.691 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(=O)(=O)NC)CCOC1 1616194265 FQTPPDYXOFNEAS-SFHVURJKSA-N 426.543 0.609 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1627090918 LTBAZCLKNSAEAT-KBXCAEBGSA-N 433.534 0.036 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1707956481 WSZHDBFWQDROBK-CQSZACIVSA-N 432.506 0.440 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1769243329 SWGQIXGRSGEMGC-GOSISDBHSA-N 435.492 0.529 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1770086987 MPYCSUAXEXDITP-KRWDZBQOSA-N 426.477 0.965 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1771370015 WSAFNRCWNOXFLX-HXUWFJFHSA-N 446.533 0.895 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1778782056 RLFIHOMSFQMHFM-DENIHFKCSA-N 444.488 0.385 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779017303 KYEWFFPKOIXADN-DUYDGHCJSA-N 425.493 0.873 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779281398 OPIDQRAYQSIIEH-OYHNWAKOSA-N 426.473 0.701 30 20 ICED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cn2[nH]cnc(=O)c12 1780020285 MZHGIAUBBYRHJY-OAQYLSRUSA-N 435.444 0.288 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780952960 PQRJQQDREGVTCY-HRAATJIYSA-N 428.493 0.903 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171021 HZGUBKKFNZBDSV-GAJHUEQPSA-N 425.485 0.978 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1781693695 ZUKYFAROJSLULT-VOLVWJTLSA-N 449.548 0.751 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1781695933 XZVOUAZQDPGSQR-IIBYNOLFSA-N 425.445 0.439 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1783048320 YTUBOWLKFGCIJA-VGOFRKELSA-N 443.504 0.638 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cncc(C(F)(F)F)c1)CCO2 1783567209 JBVUPKVRSWWWQW-IBGZPJMESA-N 439.390 0.951 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1783769175 YFPHUIKGEOCRHZ-VLIAUNLRSA-N 435.481 0.983 30 20 ICED CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784199487 SYFYIVGWNGEUAI-DKIMLUQUSA-N 448.520 0.848 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1784489377 LIHXTZLWMBRJFP-BZSNNMDCSA-N 433.505 0.264 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1784504789 JNIPORWBFVERCA-OVWQWFNUSA-N 448.476 0.327 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1785378720 MZMHYRASUFRKMF-JOCHJYFZSA-N 426.473 0.389 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1785574704 OQZUTNALJIGROS-KSFYIVLOSA-N 437.537 0.894 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnc(O)nc1O 1787431594 KWKLDTSECUPPQI-AGBRKEKVSA-N 449.464 0.010 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cc[n+]([O-])cc1 1789096479 OUCNTZPQURALLM-UEQWQKHTSA-N 432.477 0.442 30 20 ICED C[C@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)cc2NC1=O 1789262887 FQNHIOHATSCKCJ-FHIHXZLISA-N 441.440 0.087 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1CCc2nc[nH]c2C1 1791528329 LHVNRCUVDUDBMS-NJIFUQDCSA-N 442.564 0.966 30 20 ICED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)CC1 1792424192 ISDXNIWQVVYVQX-RUMRUAAYSA-N 439.560 0.328 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2 1792489373 RPIHELABBROOKW-DFVPARBNSA-N 438.488 0.099 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1793343149 MZCHHBIWPUPNLE-LJCCNALRSA-N 438.484 0.244 30 20 ICED CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)no1 1794001807 QIGWJCHJUAJNNU-VZEXOLIBSA-N 449.508 0.854 30 20 ICED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](S)C(C)C)C4)c(C)n2n1 1796924022 SKBGQPKTJAUMPC-DACLVMHWSA-N 432.550 0.899 30 20 ICED COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797836027 VTVWLXIFZJMAFM-GHAYCVJFSA-N 431.489 0.877 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797968376 MKJXMGSGAJOVFY-YRPNKDGESA-N 428.489 0.221 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1798394612 NYCPIWAXFMXDCY-KRXQYRFLSA-N 429.521 0.842 30 20 ICED NC(=O)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798492198 WXAOXFHHRIBLJI-ZEVQPODASA-N 429.477 0.961 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 1798921224 SNVDVEAOWOBEMJ-DVWBAYGPSA-N 425.533 0.397 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799325926 ZSEFFUJWZGXDDW-LORHWOILSA-N 431.468 0.276 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551626 CBQBFKLWQOONOP-GFQSEFKGSA-N 437.415 0.538 30 20 ICED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801029082 PQNLWHRITBUWFK-WQDJSCAQSA-N 435.521 0.943 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)c(C#N)c1 1801531454 KITLVDQJVIBMLX-UPHUGPLXSA-N 449.529 0.134 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803557145 XTXPTOHIZSQGQR-ZWOKBUDYSA-N 443.504 0.668 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)[C@@H]2c2cccnc2)N1 1806635828 KJVGXGAJGKQNBA-PFWDCJIASA-N 443.504 0.895 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807351197 WKUJSALFLWUJLN-RHSMWYFYSA-N 434.460 0.682 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807693317 VEBLIKZMMZMQDH-XWSJACJDSA-N 428.537 0.092 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2c(O)cc(O)cc2O)[C@H]1c1cccnc1 1811434246 WGFWWZKBDHMLBX-RNODOKPDSA-N 425.397 0.606 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)[C@H]1c1cccnc1 1812877473 JGZXBLLADRAKNN-SUWCGCSTSA-N 438.484 0.576 30 20 ICED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)cc1 1814796887 YWSCIUOJXNYCPS-GJZGRUSLSA-N 440.529 0.762 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2 1814919710 JYZWHHAWFHJBTG-AWEZNQCLSA-N 444.561 0.594 30 20 ICED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770517 MAQKMHDOMNXUEA-XMOVILSBSA-N 435.554 0.798 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022583 GOXDIWIAGAZOIO-QAPCUYQASA-N 427.571 0.643 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)n3ccnn3)sc2C1 1824676647 HGDNSZSZEJUBRL-ASOISWSRSA-N 429.506 0.766 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828526475 BAFSUCPAPUSFBQ-JOCHJYFZSA-N 429.473 0.163 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829506936 RHTMDQOPLQJJAG-WBVHZDCISA-N 427.505 0.847 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)c1 1829630103 RJOWPYMBVAVBQJ-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830182792 UBGALNJZGNHTPJ-AUUYWEPGSA-N 442.559 0.478 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1831218794 FHEVWOWLRJIOPH-HSZRJFAPSA-N 436.468 0.819 30 20 ICED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831638792 GZPQHJYJGLPKLF-JTSKRJEESA-N 431.489 0.676 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832491105 GIOLHZMASWRRRZ-REWPJTCUSA-N 426.469 0.696 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833201221 IQKIPEYRMVKFOV-XMSQKQJNSA-N 448.520 0.485 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833647164 AAMOWGHSFRCSMT-XXBNENTESA-N 446.548 0.791 30 20 ICED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676010 ONDVKQIRVLIDCR-UHFFFAOYSA-N 445.564 0.878 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)C1 1834760185 IQMNDGJDAOEZKP-FQEVSTJZSA-N 435.502 0.220 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)c5nncn5c4)C3)C2)CC1 1835344508 JCEGCCQKCBVFRY-FQEVSTJZSA-N 444.879 0.756 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)N1CSCSC1 1835359852 LVJSFZCQTGKBGF-MAUKXSAKSA-N 428.580 0.790 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)[S@@](=O)c1ccccc1 1835362594 OWSSSGZBHFGBFO-UGAZBFNKSA-N 433.530 0.943 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835732513 ZVXHMLAIRSJZAW-KMYAOZERSA-N 432.569 0.308 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835752480 RBEOZOJNRIKZAK-HRAATJIYSA-N 425.526 0.498 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835753740 HSDRJANOJHZIRH-NRFANRHFSA-N 447.532 0.466 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834427 NQADDCYGCIFZKS-JUXOCIIHSA-N 447.536 0.729 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835845385 OSKIPFXNJGLUHL-LJQANCHMSA-N 433.553 0.403 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836883743 CWWGXBIZZMWMAA-KKSFZXQISA-N 429.477 0.390 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1837393683 YWMYONNLWFRTEL-VGOFRKELSA-N 439.553 0.178 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837398488 BUZSOLUGZQVWOJ-WMZHIEFXSA-N 442.516 0.977 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837566997 ZBNAYLGUBCMOOL-RHUWMCOTSA-N 425.445 0.668 30 20 ICED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1838176252 BUUJHAPZHQFCJP-QFIPXVFZSA-N 439.472 0.982 30 20 ICED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838395138 SWZJMBSCKMWWHK-ZQUFOJLJSA-N 436.465 0.582 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1 1838524207 JGZMTLSBDJBQAN-UHFFFAOYSA-N 429.429 0.511 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccno4)C3)C2)c1 1838580419 AKTGXTPRPXCKGC-NRFANRHFSA-N 426.429 0.939 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCCCC4)C3)C2)c1 1838734783 KHILQCMCPWANFX-JOCHJYFZSA-N 429.521 0.832 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)c1 1838739873 AIZMFYPWQAZXQT-NZQKXSOJSA-N 438.484 0.560 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1838907070 XHOCJHNCMDHRKD-QFIPXVFZSA-N 442.472 0.471 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485987 GSCYPXMELNAIOP-KNQAVFIVSA-N 441.488 0.521 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1839811691 JSCAJUZZZYAGKF-CKJXQJPGSA-N 439.484 0.424 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157661 XBBLWGYRKXFVKQ-MDOVXXIYSA-N 445.582 0.922 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)C2 1846194924 GLXWHJIJJVVYRT-UHFFFAOYSA-N 438.415 0.336 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(C#N)cc2)CC1 1847309196 MRSONEOUVNKNFV-PMACEKPBSA-N 444.557 0.974 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 409578144 AASIGSJJAVBVND-UHFFFAOYSA-N 426.539 0.758 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccnc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)c2)C1=O 410115359 KXBDPVUCNTWXSN-RBUKOAKNSA-N 439.516 0.799 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 432509061 IQTIEKCMHWMOCA-UHFFFAOYSA-N 425.555 0.857 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2C#N)c1 443068806 IDZCSVXOWKQNFQ-NSHDSACASA-N 440.478 0.911 30 20 ICED Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446530043 GSUIGYUQAPCNEZ-UHFFFAOYSA-N 438.488 0.664 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447411229 BDBDTGKJQVONPI-HNNXBMFYSA-N 436.451 1.340 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(C)C 461368639 GXASJVCJXGBJBJ-UHFFFAOYSA-N 429.542 0.978 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463008883 HRCZTEJVSXAGND-HNNXBMFYSA-N 441.513 0.796 30 20 ICED CC(=O)N[C@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)C1 475761410 QOANOJIAOQHIPH-OALUTQOASA-N 448.545 0.855 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 479906600 YIZOURIIKKHYHN-MRXNPFEDSA-N 435.550 0.238 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 482833444 FICWDHVZDIBOSM-OAHLLOKOSA-N 442.497 0.915 30 20 ICED COc1cc2c(cc1S(=O)(=O)N1CCN(c3cc(C#N)ccn3)CC1)OCC(=O)N2 485426239 NROQFCZLBLCZGN-UHFFFAOYSA-N 429.458 0.804 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2=O)cc1 488625674 HOXBWYGZXDTVKC-SFHVURJKSA-N 430.428 0.390 30 20 ICED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)nc1 490050197 XVRQWBJRXZWIRA-INIZCTEOSA-N 436.515 0.715 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c(Br)c1 505666425 TXQGKCDWGQWYNR-UHFFFAOYSA-N 434.315 1.000 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)NCCCN1CCCC1=O 507494911 ZFCXSRPAPPLRBJ-UHFFFAOYSA-N 432.506 0.429 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 508019707 XBQZPCBYQSCLIP-QVKFZJNVSA-N 442.476 0.912 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)n1 508359784 HAPHRNSANODTBK-UHFFFAOYSA-N 437.869 0.098 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2CCNC(=O)C2)CC1 512861164 PKXPBGQGHQDIQV-UHFFFAOYSA-N 426.477 0.961 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 516061449 GHSPOPICBILZQQ-UHFFFAOYSA-N 437.456 0.794 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cccc(C)c3)c2=O)cn1 522382489 YLFUWMOOIONZSZ-UHFFFAOYSA-N 449.536 0.786 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCc1cccnc1 525173277 KEJFFRVCJVCXHV-UHFFFAOYSA-N 445.504 0.677 30 20 ICED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 532325830 VOXQBPJWZCXWPQ-ZDUSSCGKSA-N 429.498 0.509 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 538591919 IPMARVOXNGOXJB-UHFFFAOYSA-N 425.283 0.643 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 549279657 JZEOOEPGOXKWAF-INIZCTEOSA-N 441.602 0.455 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 549286083 WWWQHLKJPNBCDI-HOTGVXAUSA-N 440.570 0.682 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1OC 550966427 CMBGJLIWNHTFRV-UHFFFAOYSA-N 439.472 0.944 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 556038790 RFVRKNJCLCLMTB-UHFFFAOYSA-N 447.561 0.828 30 20 ICED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 582026142 UZWWUPIFNPVSAN-QGZVFWFLSA-N 448.483 0.532 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cn1 588866344 OYWNPOFAUDRPBU-FQEVSTJZSA-N 449.515 0.248 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)c1 603789106 MIKFJOOTFDAOET-UHFFFAOYSA-N 432.505 0.964 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N(CCC#N)CCN3CCOCC3)cc(C3CC3)nc21 604538503 SDKDOUHCPHOSFV-UHFFFAOYSA-N 426.477 0.600 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 606121212 FFTVKUWOAYKKSN-UHFFFAOYSA-N 438.488 0.835 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3csc(C)n3)c2=O)cn1 608884320 XPDBYXFSHZROTB-UHFFFAOYSA-N 439.522 0.849 30 20 ICED NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726800391 LFYDOYNASRGCGZ-KRWDZBQOSA-N 447.561 0.446 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 731976049 JYMQMWACWQKYKE-HXUWFJFHSA-N 426.517 0.778 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CC)c2)c1=O 732663316 REWMJGBQUWEXMU-UHFFFAOYSA-N 447.586 0.241 30 20 ICED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 732910403 PLDJHLFOTFEMIV-GHOSXJJBSA-N 443.525 0.904 30 20 ICED C=C(Cl)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 737225298 LESAZMZQTNSIMH-UHFFFAOYSA-N 430.914 0.439 30 20 ICED C#CCNC(=O)C1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 747573136 UWUBCYIEECSRMY-HZPDHXFCSA-N 430.509 0.512 30 20 ICED C#CCNC(=O)C1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747820428 VRKGUCORUBQSGS-UHFFFAOYSA-N 435.546 0.548 30 20 ICED CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 748984184 VMPZFDJXSKFONN-QJIFYWSCSA-N 435.506 0.175 30 20 ICED CC(=O)OC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 753192920 NLQPCXDPASNGDQ-UHFFFAOYSA-N 434.518 0.419 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2nccc3ccccc23)c1=O 758076459 NVMBVZZJZHDRAE-UHFFFAOYSA-N 430.489 0.453 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(-c2ccco2)o1 762825041 RGKZJZJQAAANFH-UHFFFAOYSA-N 431.386 0.550 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CC(C)C)CC1 763432996 BJGTZDPGZQHAQJ-UHFFFAOYSA-N 427.574 0.571 30 20 ICED COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)cc1 768049241 SGOMAXHPAPXVDN-UHFFFAOYSA-N 439.520 0.991 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(=O)N(C)C 776752023 LDFVZMKPYHRZAT-UHFFFAOYSA-N 448.907 0.596 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ncn(C)n1 782139175 VPMBWWUKPJCJFJ-XQAVQBLBSA-N 433.494 0.444 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CCOC 782599546 CKQURLQMCBRMEF-UHFFFAOYSA-N 441.962 0.927 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 783464924 OGBUOWLWSVRMKM-UHFFFAOYSA-N 428.470 0.757 30 20 ICED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)N1CCSCC1)c1cc[nH]n1 789963796 OSHJAMPZRWEHEH-ZDUSSCGKSA-N 441.535 0.170 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c3ccsc3)c2=O)cn1 790436596 CTIJMOHLIUUICX-CYBMUJFWSA-N 443.554 0.831 30 20 ICED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 799078608 COFQIGBQMLNDTP-LBPRGKRZSA-N 433.324 0.878 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1=O 799176420 RQURXWXALOXSJX-QGZVFWFLSA-N 433.534 0.814 30 20 ICED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 802515585 QOXRSTZJMKXUOE-UHFFFAOYSA-N 436.476 0.962 30 20 ICED C#CCN=c1nc(N2CCC(CC(=O)NC)CC2)[nH]c(N2CCC(CC(=O)NC)CC2)n1 804529597 DYNCFMRLIKNZNO-UHFFFAOYSA-N 442.568 0.044 30 20 ICED C=C(C)CN(CC)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 844266580 GZLQWSIFBDNMEM-UHFFFAOYSA-N 425.507 0.752 30 20 ICED COc1ccc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cc1S(N)(=O)=O 849080750 PTOGSOGEFSVIEN-AWEZNQCLSA-N 439.538 0.723 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 893879117 CKXFQMGESHQFAT-LBPRGKRZSA-N 440.478 0.257 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)cc1 918281162 MUTHHENISDBMPE-UHFFFAOYSA-N 446.511 0.777 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C(C)C 1297288617 ZETPTYVPVSPPEP-MRXNPFEDSA-N 441.540 0.964 30 20 ICED CC(C)(C#N)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1469755165 YUFKHLWLWNCWFN-UHFFFAOYSA-N 436.538 0.484 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)nc1 1543555581 WCRJZNXFWWXJPJ-SFHVURJKSA-N 438.463 0.344 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1554869360 WPFBTKNXRXFKJO-APWZRJJASA-N 433.490 0.232 30 20 ICED COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1619662680 SYBWEKGRHDJMNH-RHSMWYFYSA-N 434.522 0.812 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1626675691 PDWIXODKURYUHK-CXAGYDPISA-N 425.532 0.651 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1633196533 UZUHGRAMJYNFEZ-ZIAGYGMSSA-N 428.536 0.092 30 20 ICED CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1712695163 LJHVYFHAFDWOMT-IAGOWNOFSA-N 444.517 0.551 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465856 HIJKHCVNHLHVDZ-NGPKUFNOSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740078 QBAHFZNCDUPNQD-YXRAUMKCSA-N 442.476 0.702 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1778968815 WWYWZEAWWYBJOR-HRAATJIYSA-N 435.546 0.881 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1779020628 USJQHPTWJDSSJO-ISXFEXJZSA-N 429.521 0.711 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1779062068 CCIXLHDJDIZWBC-JOCHJYFZSA-N 446.479 0.925 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1779072557 KNPQWYKFHKRUBX-VHFSOBRXSA-N 441.481 0.112 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1779196384 UOWGTCHWWFAXIZ-HSZRJFAPSA-N 433.468 0.964 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779225763 DOTMAHTZROSFAD-NYHFZMIOSA-N 448.487 0.806 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1c[nH]c(=O)cn1 1780123354 WMBJQMIMSMUSHH-SIDJUTGSSA-N 447.492 0.426 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)nc4cccnn24)CCO3)c1 1780598609 AJGJLQLLIBLWAM-HSZRJFAPSA-N 444.451 0.718 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1781396559 RCPLSVHIQQRDGK-YCRPNKLZSA-N 442.476 0.334 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1782648358 DYBSQICISDXGAI-NRFANRHFSA-N 445.545 0.251 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782958352 BREGJHXBHHGRPR-XLIONFOSSA-N 435.477 0.718 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ncccn5n4)[C@H]3C2)c1 1787939588 ZCCYUUFQQJFNHM-BZSNNMDCSA-N 431.456 0.903 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788658701 MQEFOCFYMHAXHK-XLPSAFGNSA-N 432.477 0.910 30 20 ICED CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)nn1 1789396507 AFANKXYBDPDEQW-IOGVMZDASA-N 444.536 0.940 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789805192 BHASKLDNCZRRLI-MUGJNUQGSA-N 434.581 0.337 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1789954880 GPWCPIMNIZRFSE-OVWQWFNUSA-N 449.508 0.493 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c1 1790859204 ADGJDYRATIZUOV-FXECBMLZSA-N 426.473 0.296 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(C(F)(F)F)c3)C[C@@H]21 1791077409 WPLPYBAUACRAAV-CQDKDKBSSA-N 425.363 0.782 30 20 ICED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccc1[N+](=O)[O-] 1791079665 XUJLKGUCZYECJZ-ZQIUZPCESA-N 431.401 0.285 30 20 ICED 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 1791258286 JHVIFQPJHTUIEZ-YTFOTSKYSA-N 431.555 0.170 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1793533666 IYDAKTHVSXFNKX-OTMGTGLCSA-N 427.571 0.424 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1795416976 IBHPAXJSPFDDMP-IHSNIMORSA-N 430.530 0.990 30 20 ICED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1 1797784406 WNPXMYBGQAHKNC-CWPLJXCYSA-N 428.489 0.387 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1797812369 RVOWBPKQMKNMMM-WIHHOWHQSA-N 442.476 0.462 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798349081 RPYMQNSVWQWKTF-LXTVHRRPSA-N 435.481 0.742 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)cc1 1800433562 SFOKDOXVOWLSIY-JNNRSPCRSA-N 440.587 0.931 30 20 ICED C#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]1CCCO1)C2 1802128913 VUAIKVTVTXWOAN-ADHGMGHFSA-N 435.521 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1802477628 QQBQISVFCVYNQH-AWWPTUBISA-N 434.500 0.979 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808410195 BTNFSDFMGAQRMB-ZVZYQTTQSA-N 440.591 0.831 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)[C@@H]1c1cccnc1 1812524364 LKGJBIDBOYGIJT-JJJJLYANSA-N 434.496 0.900 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820183983 IHTAURXILTZDQM-NPLBLWOUSA-N 449.533 0.065 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1824489370 RSCBFSABBGXWON-YOEHRIQHSA-N 441.492 0.084 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2)C(F)(F)F 1825269888 IUHZYZLOZLKBQR-QMMMGPOBSA-N 434.396 0.717 30 20 ICED C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc2C1 1828310057 QLQVLEWSNFHJMI-JQWIXIFHSA-N 435.506 0.457 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828881808 HUAKJJDTRKQVES-SJORKVTESA-N 445.497 0.904 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c21 1830059430 BNQVOALGNVSGLJ-QFIPXVFZSA-N 441.488 0.899 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3OC)C2)C1 1831402305 UJPHMBZHFBHPFH-SBUREZEXSA-N 448.491 0.872 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1831418422 BYXFSWVKJWMKOP-LLBVYWAGSA-N 446.500 0.874 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488086 MNNLIBPCHMTQLN-DOZBRYHWSA-N 448.564 0.605 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831748655 TVXATBCYWJJOJX-HXUWFJFHSA-N 434.518 0.307 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)[nH]1 1831853164 CEGKCAGXRXICQM-JOCHJYFZSA-N 430.505 0.487 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470082 VANREKFDPAWZKX-VQIMIIECSA-N 425.507 0.110 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1F 1833737684 HXIBNNIDIQKQAW-WVYFQRGSSA-N 447.467 0.893 30 20 ICED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1834084999 SLCHJNCBUHVHSC-UQQIOGDDSA-N 430.509 0.327 30 20 ICED O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834872383 HALXKRSOSJOISV-UQQIOGDDSA-N 447.540 0.379 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836186181 BDXNOOMINMCDHU-ARJAWSKDSA-N 445.520 0.211 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837444175 QSOCADUZYRFWGK-DUYDGHCJSA-N 433.484 0.762 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037380 ITGSXPTUMKCXCU-SBUREZEXSA-N 445.491 0.814 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839176177 AFKGMBSTBGQPMX-SPEDKVCISA-N 438.521 0.503 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)cc1 1839361498 OOERUZQCHQFBSV-FQEVSTJZSA-N 427.486 0.988 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420643 VJPPPHVDRLHYKK-UTKZUKDTSA-N 447.467 0.214 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839694720 RVODNGVDTDDDRB-DEOSSOPVSA-N 440.544 0.643 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840167043 SAYNRDGPFAWQQH-QFIPXVFZSA-N 428.489 0.914 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840900814 TZLQQMYQYRILKE-UUOWRZLLSA-N 439.512 0.675 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)Cc1ccccc1NC3=O)C2 1846196017 ANIZTKRBRQLOLT-UHFFFAOYSA-N 433.424 0.402 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCOCCOC 1847810302 VOQPAHWPSAEOED-FHWLQOOXSA-N 428.526 0.476 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c1 29443904 KZBABAXXZJUEMF-UHFFFAOYSA-N 428.518 0.964 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)(F)F)s2)c1=O 432727312 VLOXBMYAXCLIMT-UHFFFAOYSA-N 429.445 0.889 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443285607 FHMUGWBFVWGKRI-UHFFFAOYSA-N 439.394 0.842 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 446800110 BOKBSEULQMLXIH-OAHLLOKOSA-N 431.460 0.664 30 20 ICED COc1ccc(NC(=O)Cn2cnc(C#N)c2C#N)cc1S(=O)(=O)N1CCOCC1 463785915 YAAZKYYAGQFDJI-UHFFFAOYSA-N 430.446 0.295 30 20 ICED Cc1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCC#N 475342317 JHRNOUXTRJATAZ-OAHLLOKOSA-N 447.469 0.695 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CC3(C#N)CCCCC3)CC2)cn1 475786496 CCZSNUBZILWTMZ-UHFFFAOYSA-N 429.568 0.967 30 20 ICED CCOC(=O)c1c(NC(=O)N2CC(n3cc(C(=O)OC)nn3)C2)c(C#N)cn1CCOC 481450088 IFJYDYAGALXQIQ-UHFFFAOYSA-N 445.436 0.650 30 20 ICED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 488222323 UDSLTRCWYQOBNW-GVDBMIGSSA-N 430.571 0.346 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 523033645 FKWWXEMAUJYLTM-MRXNPFEDSA-N 425.449 0.588 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 523476403 MTDWDCKVPMZAMI-GOEBONIOSA-N 445.541 0.928 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1=O 524010142 NFMBURWNFIUGCQ-AWEZNQCLSA-N 431.468 0.732 30 20 ICED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533441560 KWDPVMATLLHIKY-HOCLYGCPSA-N 443.460 0.717 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 533455769 IFNUPVQNIPAOED-INIZCTEOSA-N 442.501 0.402 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 542297922 DZSYFXBQYHCPEM-SFHVURJKSA-N 430.461 0.372 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 550592363 XJOPIBUJRKZFKL-QAPCUYQASA-N 434.518 0.388 30 20 ICED C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 552894676 GDAOSYOTJVYMRP-CWRNSKLLSA-N 436.509 0.579 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)c1 553679304 CTIKHWWCRGJVHT-UHFFFAOYSA-N 436.534 0.383 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 556388460 PZKZJMLSQSJSLW-UHFFFAOYSA-N 427.486 0.785 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 556493809 KPBVLHZSHNKCCH-UHFFFAOYSA-N 443.485 0.688 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 561428599 CBELELGNTAEODM-UHFFFAOYSA-N 429.502 0.528 30 20 ICED COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 567089342 SKNOVOUGFFHGJG-UHFFFAOYSA-N 433.428 0.632 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 568318143 YXAANTCJLGCAJD-WMZOPIPTSA-N 426.473 0.972 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 568318468 NOMTWMDCPGEJJM-OAHLLOKOSA-N 437.422 0.876 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1=O 571807325 YJOYPLSXKHXGCC-IAGOWNOFSA-N 440.479 0.761 30 20 ICED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577433086 VKIHNLWWRAAQKS-INIZCTEOSA-N 431.474 0.359 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 579936536 VCFLNBJQPHFIEI-UHFFFAOYSA-N 430.468 0.674 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)NCCNS(=O)(=O)Cc3ccon3)n2)c(F)c1 582685757 OMRPKBHMJFINGM-UHFFFAOYSA-N 433.425 1.112 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccncc4)CC3)C2=O)cc1 588865020 ASVPRGPWBHYLES-FQEVSTJZSA-N 432.484 0.914 30 20 ICED N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@](F)(C#N)C3)cc2)C1 589290761 YUCNBJAKYJAMRC-IYBDPMFKSA-N 430.458 0.939 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581318 BZSNVLBQGKYATC-ZIFCJYIRSA-N 438.550 0.270 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)n(C)c2n(C)c1=O 604297992 WUMWMIWVWJGKGV-SFHVURJKSA-N 438.463 0.737 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c(C)c1 609564031 QOBBVMRACGZKPU-UHFFFAOYSA-N 442.566 0.090 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 610478842 ZAMPJNOGWKEFHB-UHFFFAOYSA-N 442.480 0.737 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 611005589 DMRUVNIMOSBSHP-MRXNPFEDSA-N 429.458 0.834 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(C#N)cc3F)cn2)CC1 618040660 WDZWFUGILIKOHL-UHFFFAOYSA-N 446.464 0.751 30 20 ICED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 726293057 JKFBMJMLKDIOQS-UHFFFAOYSA-N 431.474 0.543 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2nc(O)[nH]c2c1 729358021 DHAXRCPONPRHLS-LLVKDONJSA-N 443.441 0.989 30 20 ICED C=CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 731214391 JYDYYFIFAISTAG-OXJNMPFZSA-N 434.518 0.550 30 20 ICED CSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 739135299 DCZYJCKJKPTCDW-ISPGYRLHSA-N 442.563 0.668 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1[C@@H](C)c1cccs1 743728219 MIUBJCGTFOWIQW-ZDUSSCGKSA-N 443.554 0.673 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749517906 BZEOHFAJTGHJKG-CYBMUJFWSA-N 428.536 0.046 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755185106 LEIRHNHJHLRDJM-QWHCGFSZSA-N 426.470 0.446 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758078855 COPCJSKMTZRRBS-UHFFFAOYSA-N 443.912 0.995 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 758467009 FFWUKAHBSWQNCU-KBPBESRZSA-N 447.583 0.423 30 20 ICED C#CCN(CC#CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765665708 CRRGAANLPQLTSL-UHFFFAOYSA-N 445.541 0.793 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCS1(=O)=O 766348330 LFUIBGIRQLDFOI-HIFRSBDPSA-N 427.548 0.977 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[C@@H]1CCCO1 773545087 AREVONUDEZIYQA-RDJZCZTQSA-N 448.501 0.214 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780062634 PZSFMQSXTIVEOL-DLBZAZTESA-N 445.520 0.601 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)nc1 787130392 MTIHZZBSOLQZJT-LJQANCHMSA-N 426.521 0.361 30 20 ICED C#CCn1ccc(CN(CC)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 789332315 QMCDSIOUWRKAOM-UHFFFAOYSA-N 445.545 0.998 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)n(C)c2n(C)c1=O 789491302 JDYZQRRNHBOUHR-CYBMUJFWSA-N 429.383 0.493 30 20 ICED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N(CCC#N)c1ccccc1 803861115 NBDHEAIHXXUOSO-CYBMUJFWSA-N 432.458 0.734 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 809309927 PUXNZADQOJKXAR-JKSUJKDBSA-N 441.456 0.095 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cscc2C(F)(F)F)c1=O 811726600 BEKPRNUCBYKKHE-UHFFFAOYSA-N 441.456 0.889 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812266854 DSBMQIUHKFMTKN-ROUUACIJSA-N 432.550 0.945 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 813985202 QOUAPBBSYZGLJS-HNNXBMFYSA-N 434.499 0.859 30 20 ICED COC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])on1 814687212 BYXZQXDHYKMVRK-UHFFFAOYSA-N 439.406 0.836 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OCc2nccn2C)cc1 814883278 HZFXHJODNVYQEF-UHFFFAOYSA-N 446.489 0.099 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCN/C(=N/C)NCCN2CCOCC2)s1 849069193 VTUBYIFXAKWSEI-UHFFFAOYSA-N 431.628 0.818 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)c1ccc2c(c1)NC(=O)CO2 854381310 JNTIGRWKBNGIEL-LBPRGKRZSA-N 443.437 0.982 30 20 ICED COCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2ccnn2C)c1=O 914565189 YEOXBDFRZHRQMM-UHFFFAOYSA-N 439.497 0.440 30 20 ICED COc1cccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 915376829 JKOAXPDFOODRGP-UHFFFAOYSA-N 441.444 0.485 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1307858808 UVVXMJPQNNMHKH-OALUTQOASA-N 445.495 0.288 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1318497608 LSQQRDHDNHLZSW-MSOLQXFVSA-N 439.472 0.613 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1517541998 YGUHOHOJPOEKJV-LJQANCHMSA-N 447.499 0.823 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849922 NFWLFWBSQTUAIR-UHFFFAOYSA-N 431.474 0.580 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1696578474 JJVQRRYOHQELGV-ZWKOTPCHSA-N 442.568 0.912 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1698311275 PLFGOTGZCLMYAB-FQEVSTJZSA-N 446.533 0.440 30 20 ICED CCN(CCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1710140396 YXUKMXGNQAMNAZ-HNNXBMFYSA-N 425.559 0.782 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1722480066 OJBIJUAOFJYMIM-QWRGUYRKSA-N 435.348 0.464 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CCO1 1730591396 LTMODZJHKQGYSR-SFHVURJKSA-N 448.549 0.996 30 20 ICED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863252 UKDWQJYLNDUMJS-HZPDHXFCSA-N 429.525 0.854 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1751089694 MYNBQSFNTCIUEO-HNNXBMFYSA-N 426.481 0.913 30 20 ICED C[C@@H]1OCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1752447273 LTSNTJSJPLKNJX-IQUTYRLHSA-N 432.506 0.538 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1766878285 ZOTBMZOJRZDSGM-UHFFFAOYSA-N 441.492 0.288 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1779068185 HEOJSYWCPIVBTJ-TXPKVOOTSA-N 430.523 0.266 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)C(F)(F)F 1783208563 CLIFIKPUSKKZTE-OAHLLOKOSA-N 437.465 0.795 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1783887086 SLIDUMIVHUKUSM-UGSOOPFHSA-N 427.548 0.388 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1784495263 FUCLZBUKAKOSSG-VJANTYMQSA-N 425.526 0.100 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1786860262 UOSZJSHLNQUTAS-ZOPGNSJXSA-N 426.521 0.751 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787377249 UXGXYVQIOPRPLE-IEZWGBDMSA-N 439.520 0.604 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788531796 NGYBQMNKYKFKEQ-XUXIUFHCSA-N 436.427 0.645 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)cc1 1789571912 GKVKBWICOHOTHI-WDSOQIARSA-N 438.444 0.956 30 20 ICED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 1790120736 YJMSOKMIXDUXDM-ZJZGAYNASA-N 446.551 0.966 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790861266 BOYHHGVVGLFXQQ-DWRORGKVSA-N 426.473 0.053 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]3C2)c1 1790874131 LSAGLGQNVIYOQK-VDGAXYAQSA-N 428.489 0.686 30 20 ICED O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791181922 XOTOHUBQXAICNT-LTADTEAASA-N 433.553 0.450 30 20 ICED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)cc1 1792482222 VBVIRDCWNGBRIM-VLVHOKLOSA-N 426.517 0.780 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1792922409 ZOMCSZGPKPLHCL-HGKCTWBKSA-N 427.505 0.598 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1793257073 UGTMHTYHBMSVOK-FAQVEIGNSA-N 435.480 0.676 30 20 ICED Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795577318 RAWIVANAZOXYHI-FVCICTRLSA-N 435.444 0.830 30 20 ICED C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598670 UGDBCNJRORNWFD-JONQDZQNSA-N 434.566 0.815 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3CCOC3=O)C4)c2c1 1799883256 VSZRJSZNXHIONV-ZSBFGKGUSA-N 438.444 0.090 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1801602295 HOCOXVAKHCHRDC-FZKCQIBNSA-N 435.525 0.600 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)[C@@H]1c1cccnc1 1802477175 NKRXEYRBZIABGW-VCAOOIQNSA-N 441.532 0.861 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802914873 QVFUVDNDHWLMIP-YESZJQIVSA-N 448.520 0.868 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(=O)O 1807208648 XYWXKVGNBWXWLB-VZCSLHMMSA-N 444.536 0.622 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809597869 BYMLZCGXLLYEPA-ONTIZHBOSA-N 443.592 0.908 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)[C@@H]1c1cccnc1 1810100431 SRMZWKLPIPAPFM-ITQYTPKQSA-N 449.508 0.953 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)[C@@H]2c2cccnc2)CN1 1812639305 IWPBEAYRMRDGBW-UWFCWLMKSA-N 443.504 0.753 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](C)S)[C@@H]2c2cccnc2)c(=O)nc1O 1813043935 VELFEMSIBRZCOE-UNEWFSDZSA-N 431.518 0.677 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]cnc5n4)sc3C2)c1 1815330113 IZVAXDDKXYECOP-SNVBAGLBSA-N 449.456 0.613 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1820019980 KGBNLZPDEPZAFF-RYUDHWBXSA-N 439.501 0.967 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1824490016 XTBOGJGYQHGLOU-MAUKXSAKSA-N 440.504 0.689 30 20 ICED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399582 OHPCFPHZKXXXMI-INIZCTEOSA-N 445.549 0.965 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898869 KRRQYWIDWZTKHZ-SBUREZEXSA-N 442.516 0.472 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)cc1 1829898951 PLBPCLVJHDGVAQ-FQEVSTJZSA-N 427.486 0.722 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1831397468 YVRVMWKQYZLIHQ-QRQCRPRQSA-N 444.463 0.810 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831491418 BPGCCVGASWGGRV-GPMSIDNRSA-N 425.555 0.325 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832197877 BXVINDXPACMDKC-VGSWGCGISA-N 443.504 0.479 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccc(N(C)C)c3)CCO2)C1 1832531480 SJIGDEVYURELST-IIBYNOLFSA-N 437.562 0.906 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833471003 LLYMETFFHOLLFI-GOSISDBHSA-N 449.552 0.139 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833960949 FMXAUCFFLPLVRY-MRXNPFEDSA-N 430.505 0.309 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835677993 TYJXDWMZCHCVAR-XOBIUNJKSA-N 445.520 0.437 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1835713239 AWWZZIKJRIYIFV-GOSISDBHSA-N 433.553 0.884 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974434 FORBESPRDPADLM-DNVCBOLYSA-N 441.916 0.794 30 20 ICED CC(=O)N[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)(C)C 1836802378 URZZBGIKKJBSDX-HXUWFJFHSA-N 435.521 0.624 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837562415 KOUWMRGGSQLILM-ZKSMDFIPSA-N 446.420 0.100 30 20 ICED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837582321 RRNIGQSYNAYIHL-CYBMUJFWSA-N 435.550 0.557 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1837616119 VJHSWZJLFCXWHZ-AUSIDOKSSA-N 442.516 0.308 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837881755 MAGPONPNMWINPL-RUDKWAFVSA-N 447.536 0.290 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838088399 JGAYWZYUAWSZNC-HSZRJFAPSA-N 435.484 0.969 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649967 UQILIYMRNGLMHV-XGVOGHQPSA-N 448.476 0.386 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5ccnc45)C3)C2)c1 1838737522 XBFXOCBVXPNNQU-JOCHJYFZSA-N 434.456 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839227166 LBQHQDQXKPZODM-NJNPRVFISA-N 448.520 0.667 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839641344 FPGZIMIPTIDDMT-IQFRNVLWSA-N 440.541 0.312 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692842 VECZYLCSHQOQSA-QFIPXVFZSA-N 427.505 0.144 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)C1 1840172481 PWBXQKNAMSTXBY-OAQYLSRUSA-N 436.530 0.665 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896948 CNYMAUXXFOJCSX-KUHUBIRLSA-N 441.575 0.515 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1844757020 DQANZVYHJHSWFM-SREVYHEPSA-N 442.428 0.999 30 20 ICED C[C@@H](c1nc(-c2cccs2)no1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410121859 KVVFWOUAUZMDSO-KBPBESRZSA-N 438.535 0.946 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1C(=O)Cc1cccc(Cl)c1 410158692 JCSQKBBKJPXOBR-YOEHRIQHSA-N 426.926 0.884 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 442406612 WXRQIVLPQCHBLB-INIZCTEOSA-N 439.476 0.896 30 20 ICED N#Cc1cc(F)ccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 443030973 ZWRSJXDHRKBXKO-KRWDZBQOSA-N 445.538 0.597 30 20 ICED Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1S(N)(=O)=O 446721527 VGUKEPRZSSGYJI-ZDUSSCGKSA-N 436.515 0.497 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1C#N 472152489 ILZDHHLYQHDBSP-UHFFFAOYSA-N 443.596 0.874 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCOC1 478849057 BLJLAVCQBHCCSF-HNNXBMFYSA-N 429.546 0.753 30 20 ICED CCCc1c(NC(=O)C(=O)NCCCCS(N)(=O)=O)cnn1-c1cccc(C#N)c1 479250523 JBTCBMKGMDBDGB-UHFFFAOYSA-N 432.506 0.820 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCc3nn(C)c(=O)cc3C2)c(C#N)cn1CCOC 481460154 AKNCFXURUWFJMI-UHFFFAOYSA-N 428.449 0.867 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 488291890 OYKCHSRZKJMLBQ-UHFFFAOYSA-N 443.525 0.687 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488618340 VGOOFYLXXAFDFZ-IBGZPJMESA-N 449.467 0.539 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 500534222 OMKRKORPVXYAFG-UHFFFAOYSA-N 433.577 0.259 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 514521498 MJJMIYCHWYMNFZ-UHFFFAOYSA-N 426.454 0.515 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 517123002 XASYCDQVGZPGKK-UHFFFAOYSA-N 449.515 0.418 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 517151965 VEOMDMUURQHWJZ-UHFFFAOYSA-N 443.504 0.311 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3cccc(Cl)c3n2C)CC1 519657905 DFVMBLNDLDYBHH-UHFFFAOYSA-N 432.912 0.289 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)[C@@H]3CCOC3)nnc12 524247565 ZLKQXKMQYNGDFO-CJNGLKHVSA-N 429.502 0.836 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O 524282122 QYCSDEUZFBLDCE-GFCCVEGCSA-N 439.584 0.639 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 532203860 JSYNVCWQXRMVCR-ZDUSSCGKSA-N 441.469 0.916 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C 535639186 FFUPTDMIFZFUSU-OAHLLOKOSA-N 430.490 0.449 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H](C)O)cc1 540928028 YVLXCAFTORSCSD-SUMWQHHRSA-N 434.522 0.291 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1 550649890 HYWLIRPRSQXJSU-UHFFFAOYSA-N 435.412 0.703 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)c(F)c1 554152096 WGFCQSNALWHFBX-JKSUJKDBSA-N 427.480 0.909 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](C)S1(=O)=O 571811738 ADJRGWIVRRRPLV-GJZGRUSLSA-N 447.517 0.962 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 580510060 TVOBCEAFJDQBTH-UHFFFAOYSA-N 434.880 0.860 30 20 ICED Cc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1-n1cnnn1 609005877 ZHJNNUGGWULBJY-UHFFFAOYSA-N 431.460 0.961 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 617063796 FJIXAQRBFKJESR-ICSRJNTNSA-N 425.551 0.865 30 20 ICED N#CCc1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 619473879 XVCIBMFNLPIPOR-GOSISDBHSA-N 441.575 0.653 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 727163162 NNBWYOJBDDQMAS-UHFFFAOYSA-N 442.932 0.956 30 20 ICED N#Cc1cccnc1NCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 727777112 CPHYOUSYMXSHGJ-UHFFFAOYSA-N 429.458 0.343 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)CC1 728571000 SLHNENSVWSELMR-UHFFFAOYSA-N 432.594 0.681 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3cnn(CC#N)c3)CC2)cc1 747437871 IIVDNSPPMPRTPR-UHFFFAOYSA-N 444.517 0.967 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758049437 DIOMDKUJZBZWFB-UHFFFAOYSA-N 440.481 0.497 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 761025924 YFPOKQFKVJNLBV-QGZVFWFLSA-N 449.577 0.120 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1 769728563 QMWXHCWTYHPVRI-UHFFFAOYSA-N 429.414 0.600 30 20 ICED N#C[C@H](C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 770505090 UCFBJCPDEBJWBP-GFCCVEGCSA-N 430.236 0.937 30 20 ICED Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 771549061 RYOHFVDZVAMXRS-CQSZACIVSA-N 442.505 0.152 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1cc[nH]n1 772378730 RZNIUSFVFQUKES-UHFFFAOYSA-N 429.433 0.384 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1)[C@H]1CCCO1 773800177 UDGXLSMPQKIPEU-AFAVFJNCSA-N 433.436 0.743 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)[nH]c21 786530500 IFSJOUIQJYAYKZ-LBPRGKRZSA-N 428.836 0.973 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)C1=O 804793866 HYIYAUPYIIAMLA-FQEVSTJZSA-N 438.481 0.496 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 804894526 ICDCLUDQZOYQLD-GOSISDBHSA-N 437.585 0.810 30 20 ICED N#CC1(OCCOC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 809083512 KYDSJXCQAJAXBX-UHFFFAOYSA-N 427.435 0.896 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 917930942 NETLCQFWHMCCDN-UKRRQHHQSA-N 442.515 0.488 30 20 ICED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)ccn1 1311070627 SVZRCZDZLPQTDM-UHFFFAOYSA-N 426.458 0.986 30 20 ICED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316340269 PHXQVHZNDTWXSV-KRWDZBQOSA-N 431.518 0.982 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2=O)cc1 1318863065 IPTWPUKLMNTWJW-MRXNPFEDSA-N 443.485 0.573 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)cc2)c1N 1320753933 LVSJVAXZWDWVSJ-UHFFFAOYSA-N 428.518 0.661 30 20 ICED O=S1(=O)CCCN1[C@H]1CCCN(/C(=N/CCn2cncn2)NCc2cccs2)C1 1335283554 IYWOITMWZIMEOO-INIZCTEOSA-N 437.595 0.985 30 20 ICED CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554602243 MGUQVAXLNLHJMO-NVXWUHKLSA-N 445.549 0.808 30 20 ICED CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1596275404 KURLAFDBGGYALS-INIZCTEOSA-N 438.540 0.127 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1612654399 UARRRGJMIWBYOI-HOCLYGCPSA-N 428.518 0.918 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1615973716 VYCKIJNCRJZTTJ-INIZCTEOSA-N 431.522 0.423 30 20 ICED CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1696712621 FLKZJJVXLPTMCY-FQEVSTJZSA-N 439.501 0.793 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1711274036 MQAYALIROVACCA-FXAWDEMLSA-N 430.534 0.507 30 20 ICED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1750569096 JHBQOBVMFUJDCZ-UHFFFAOYSA-N 445.549 0.671 30 20 ICED Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1762318665 YBVPHPQYLBAWHO-CYBMUJFWSA-N 427.494 0.668 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1 1779102277 GOLDPSYYMKMZJQ-CFFCXZSUSA-N 433.465 0.458 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779138717 FORQJPWLZQZJFY-ZJHLSYPMSA-N 443.460 0.255 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442721 AZMXIKHPBFDZNY-KXCPTRETSA-N 447.536 0.920 30 20 ICED CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1780180618 IMYIBFNXCYFUTM-DENIHFKCSA-N 428.537 0.261 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1781266922 FBTUEJGTUMIFDP-GCJKJVERSA-N 430.505 0.811 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc(O)n3c1CCCC3)C2 1782013397 KNXLDNODPRSVNJ-QVKFZJNVSA-N 430.461 0.141 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786927 JYQZEIQWLVHURL-HXUWFJFHSA-N 440.416 0.100 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(NC(C)=O)o3)C[C@@H]21 1783531808 YLMXNWZWOKKPJC-LQHLUTLQSA-N 444.488 0.690 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1783675174 MRBPDENHUWMIBC-LWXWQKJCSA-N 448.545 0.738 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1784485326 JQILRCQXBABSRB-HLXURNFRSA-N 431.533 0.405 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1784501025 BXGMQYWYBUQSLC-WNHJNPCNSA-N 430.505 0.382 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3NC(C)=O)C2)C1 1785095735 IHAHUZKQFKSVDD-AXKGWLQCSA-N 440.500 0.947 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1785728372 JRYXZSQHZWENTB-KKSFZXQISA-N 436.509 0.756 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786261318 DDSTYNSJLLPGJB-BOSXTWCSSA-N 441.532 0.988 30 20 ICED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccccn1 1786868526 BMUJPVSDJBARGK-RABJKHIJSA-N 445.520 0.590 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1793340403 FTJPQOMRYMOVTC-GUIRCDHDSA-N 428.411 0.680 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795277878 AQLFYWTVAGHGTC-MHXAIHSWSA-N 449.511 0.098 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)C1 1797836032 VTVWLXIFZJMAFM-WKWXYRKJSA-N 431.489 0.877 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)ccc1F 1800130892 JNJUCIDIHKWCJV-JYYAWHABSA-N 427.436 0.476 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800183486 RCMJSUHSANJFMD-XEMDLRDOSA-N 429.546 0.174 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2ccnn2)c(C#N)c1 1800269023 FPKCTZINDDRPTB-HEFCWWFNSA-N 438.488 0.552 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)c1 1800394515 SPXJAPKLPWPNCP-RDGPPVDQSA-N 431.514 0.647 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806691682 JAWSFMCHYQDPRA-UHFFFAOYSA-N 432.525 0.051 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)c1 1807058235 JWMQUULTYVUBGR-JXFKEZNVSA-N 435.488 0.765 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2ccccc2=O)[C@H]1c1cccnc1 1807435504 VUBFAOZXAJOBGD-CLGYPTBXSA-N 449.511 0.808 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)CCC1 1811192735 HJXPDLIACIROGU-QAPCUYQASA-N 433.472 0.984 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817318809 WIZXJYAAFKDTAY-IRXDYDNUSA-N 447.540 0.835 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)c3cc(C)on3)sc2C1 1819923745 BYQWSVZVOGQBSR-STQMWFEESA-N 445.501 0.820 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1822024218 METOTVGYBGWZOR-OCCSQVGLSA-N 438.469 0.839 30 20 ICED N#Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cn2cnnn2)CC3)ccc1F 1822962322 XRMATELCIYKYDK-CYBMUJFWSA-N 440.464 0.995 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825248399 PRPADFLYEPEBHO-VIFPVBQESA-N 427.433 0.818 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C)CCO2 1829642241 BTQZYWRJVVYVIN-PNLZDCPESA-N 435.521 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3O)C2)C1 1829768970 LSCWNJNASIAEIE-KSEXMQBYSA-N 443.500 0.629 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c1 1829825430 HCCCRIWQRZAUAS-KNQAVFIVSA-N 425.441 0.955 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830747488 KEMOUFAKVNJWSQ-STXHMFSFSA-N 445.582 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1831394200 YTNGUDRHUKIQSK-HMFYCAOWSA-N 431.489 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831397197 PMZORLNAFUFWEQ-VLIAUNLRSA-N 445.501 0.195 30 20 ICED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)[nH]1 1831853718 KWQGJBINIYPOIM-CHKZVEJASA-N 435.481 0.317 30 20 ICED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1832663370 AFRKHWOGMOPPPN-HSZRJFAPSA-N 444.484 0.617 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1832768783 ACBJJYPRRRMRBV-JTSKRJEESA-N 448.520 0.890 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncccc3OC)CCO2)C1 1832855531 KYVLOIIIFLUVMX-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832941645 ARCCSJJFARLLDC-OAQYLSRUSA-N 434.493 0.308 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(C)C)CC2)CC1 1833076319 TZNHPQXHMKCUHI-SREVYHEPSA-N 433.597 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)CC2)CC1 1833468755 FGVAXCZVZSZYJT-XWFFHEKESA-N 445.560 0.940 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1833650794 XKKVVEJCDVDVIB-JOCHJYFZSA-N 438.488 0.887 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1834088503 HSEWBPZOQMIYKC-IXOWOOARSA-N 447.540 0.529 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834305869 FAMRUGKHYUMMRT-MEEJOMPNSA-N 433.465 0.076 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cc2C1 1835346723 RIOOXSMLUYAONI-JOCHJYFZSA-N 442.520 0.092 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1835682633 OFRNRCSKNJYPIL-HSZRJFAPSA-N 444.532 0.673 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1837367755 UCEKKWKKGLBRCA-OYHNWAKOSA-N 439.472 0.260 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837440579 NLASNACOPYIZFY-UQQIOGDDSA-N 433.484 0.762 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533237 LUKOCLSMSBJTMF-KNPBPOTRSA-N 447.492 0.408 30 20 ICED O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567405 JIEXUTIVAKKWGE-AAADOUPPSA-N 433.505 0.972 30 20 ICED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1F 1838736200 PTPXSELHJXFHAD-NRFANRHFSA-N 443.435 0.813 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)Cc3ccccc3)CC2)CC1 1838764345 HDSDEFLMRTXZJG-HXUWFJFHSA-N 428.485 0.677 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949577 JPZHPBKRCMXJER-IERDGZPVSA-N 449.529 0.309 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)cc1 1838951575 YBOHAVYSSXYDGZ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453509 ONKITZARTIOYCD-FADXNGITSA-N 440.500 0.977 30 20 ICED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487616 CHVGAKOQQSDLNZ-NRFANRHFSA-N 426.477 0.066 30 20 ICED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1C(F)(F)F 1840042777 ODPYOCQTKYDHJP-GOSISDBHSA-N 443.378 0.202 30 20 ICED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1840399882 NVFRBEFBEYEOKA-FQEVSTJZSA-N 429.502 0.964 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840532040 FLXHGKLQJXOVIJ-OFNKIYASSA-N 427.501 0.984 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841602847 YSSFFCOMVKEMFQ-AOMKIAJQSA-N 435.521 0.600 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848214946 WKJRWIJBMXHVBH-JQFCIGGWSA-N 442.520 0.476 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C)C(=O)NC(N)=O)nnc12 9549646 QSUQDPOAKDCZQZ-JTQLQIEISA-N 430.446 0.449 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(F)c3)CC2)cc1 10453404 JKNFLRABNHBUBF-UHFFFAOYSA-N 430.461 0.960 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 409474876 BSNPFGMYQNMELX-QGZVFWFLSA-N 429.521 0.600 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 430410891 XXZZQGVNTCVICD-FCEWJHQRSA-N 433.509 0.679 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 432706976 MBLAKJGCTDAURE-UHFFFAOYSA-N 442.545 0.901 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)CC(C)(C)C#N 433303489 ICQVYWSHASKRMV-UHFFFAOYSA-N 436.534 0.772 30 20 ICED COCCN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440629323 XZKVWBRJLLVZBX-WOJBJXKFSA-N 434.562 0.531 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc21 465193267 NTQOKBMWSUOHLZ-OAHLLOKOSA-N 447.499 0.724 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1=O 467675575 ZWNDODXSDYEEHS-UHOSZYNNSA-N 435.546 0.673 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCCO2)c1=O 478851159 UIKSUYJJFAYOQW-RDJZCZTQSA-N 442.541 0.711 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 480485883 AIGWLCIITOHXQA-LJQANCHMSA-N 432.484 0.914 30 20 ICED C=CCOC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 481795093 MGSUQBZVENROBY-GJZGRUSLSA-N 428.511 0.288 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 486630147 NYOCOYGREQFLJG-OAHLLOKOSA-N 440.441 0.387 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506713152 WYPDUVSRBSLHEE-GJZGRUSLSA-N 445.505 0.220 30 20 ICED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 508882190 VXCXOUNBFNNXDI-QGZVFWFLSA-N 448.549 0.544 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)CC2)cc1 511125044 LTPOUOSWJSAGME-UHFFFAOYSA-N 429.487 0.947 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 511371017 WXCYLETWJVIYFV-MRXNPFEDSA-N 425.532 0.652 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(CC)n2)c1=O 518717460 YWEAPMKKXGNOCI-UHFFFAOYSA-N 443.598 0.782 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)c2c(O)nc(=O)n(CCC)c2N)C1=O 522977179 AJIQKWRLOIKXLQ-UHFFFAOYSA-N 434.453 0.051 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 536085843 JKSYBWJAECJQCJ-SFHVURJKSA-N 439.537 0.841 30 20 ICED N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 546903977 KMSGJHHCXNJSND-UHFFFAOYSA-N 444.473 0.879 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 551066639 OQSRRQCUQMEASI-HNNXBMFYSA-N 429.458 0.528 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)CC1 553330960 ZNQOQVWDRPYPEA-UHFFFAOYSA-N 447.624 0.936 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 554307333 LPQNSCBUFKIRJB-UHFFFAOYSA-N 444.513 0.796 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 556422642 OGVTXMCIOYZJNA-IEBWSBKVSA-N 431.518 0.631 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 560985078 XCDRAOYLDJTJAO-UHFFFAOYSA-N 442.438 0.777 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cnc2n(C)c1=O 600487538 GJIPQRSXHMSLRI-GOSISDBHSA-N 436.447 0.794 30 20 ICED Cn1cc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1C(N)=O 604030379 AQYQIVSDZZFSPS-UHFFFAOYSA-N 445.480 0.814 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](C)C#N 609524995 UCOSHLYDVRLAPF-MAUKXSAKSA-N 436.534 0.738 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615254541 KKDZIGXMULCELC-UHFFFAOYSA-N 444.536 0.224 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 725763968 CGZKURIGCSRDEM-QAPCUYQASA-N 443.573 0.878 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 728570980 RHTLJPLUNTVPHG-UHFFFAOYSA-N 425.577 0.396 30 20 ICED COc1ccnc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 729423897 JIKNFSQNECCDBW-UHFFFAOYSA-N 429.502 0.868 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CCNC(C)=O)cn1 730723146 YETHHDDURZWIOP-AWEZNQCLSA-N 443.489 0.977 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(-c4ccccc4)c3=O)CC2)cc1 732526563 FZQKANBRGLUSLU-UHFFFAOYSA-N 425.474 0.265 30 20 ICED N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCS(=O)(=O)CC1 732910107 MGLFJFBYFGQXQM-MRXNPFEDSA-N 433.486 0.696 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 744093292 MLRIWMJYCAVJME-SFHVURJKSA-N 445.545 0.614 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2CC(F)(F)F)CC1 748652834 UNXHEFLVSIXLLX-UHFFFAOYSA-N 432.472 0.547 30 20 ICED C#CCN1CCN(C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CC1 749873336 FEMYIVHGQJCRAU-LJQANCHMSA-N 430.530 0.505 30 20 ICED C#CCNC(=O)COC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 754500862 MYCNCUDLSSFSPH-UHFFFAOYSA-N 426.286 0.998 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 756895020 RPPQKASXQMXHCU-DZGCQCFKSA-N 436.490 0.434 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 758066961 DYBYKYNJRXFDTD-UHFFFAOYSA-N 447.438 0.924 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1O 762555046 RHXZGMBKYZUTOR-HNNXBMFYSA-N 447.513 0.797 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(Cl)cc2F)c1=O 782339949 IULRXUADEJOLAJ-GFCCVEGCSA-N 433.892 0.990 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3cnccc3c2)c1=O 782790370 AYJYHSHTBSPSEU-HNNXBMFYSA-N 432.505 0.745 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 783012931 JQQNHSYCDUHNBV-UHFFFAOYSA-N 441.575 0.792 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCC1 784184272 CTYPBDUBNLUQMA-HIFRSBDPSA-N 441.893 0.570 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 784924928 OGFQRACQEDFJAD-UHFFFAOYSA-N 433.486 0.140 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H](CO)O1 787905317 DSFYVKDQPKVYLX-TYHXDMBQSA-N 438.506 0.046 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 805716757 MAJYEPHNCSOGKB-UHFFFAOYSA-N 439.453 0.515 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249272 KVKOYSYKFVUGGH-UHFFFAOYSA-N 445.451 0.970 30 20 ICED 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BMMOQUZEGZFMHW-VLIAUNLRSA-N 434.449 0.518 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839241649 WECFMITZCBGCRW-LAUBAEHRSA-N 435.525 0.826 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839350828 BPKSBHSBTRRWNV-FDDCHVKYSA-N 445.516 0.429 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1839451717 KLCCERCJJPIYPD-FQEVSTJZSA-N 431.518 0.563 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840004694 LJLBPHDTYCHXCG-QXFGJNNOSA-N 436.505 0.377 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1840039749 GWOBSNNJCCWKEU-OAQYLSRUSA-N 434.420 0.139 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3-c3ccccc3)C2)C1 1840042818 PEMXPLQPBMKETN-XMMPIXPASA-N 449.463 0.907 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CC1 1840165960 PNJZOYSZLXCUNG-MGPUTAFESA-N 443.566 0.630 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)cc1 1840455244 HPEBZSGKAFLTFC-DEOSSOPVSA-N 449.511 0.980 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818402 AIJISZAIHGHHMT-OAQYLSRUSA-N 433.461 0.012 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC=C)C2)C1 1840908270 HMIIGLYDCIXNHN-VGSWGCGISA-N 435.521 0.936 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326013 KXUPMRRVRXGMTK-HNNXBMFYSA-N 439.509 0.585 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846426074 WQNXZVLLMNQNAV-JKSUJKDBSA-N 432.521 0.633 30 20 ICED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C3)CCC1 1846974360 JCVYLYRQAXDOGP-LSDHHAIUSA-N 445.545 0.064 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 25963330 GZMKCYKMFGTENO-UHFFFAOYSA-N 444.469 0.040 30 20 ICED COc1cc([C@@H](C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC 110568505 TVXMMQPUFUCEGL-CQSZACIVSA-N 439.428 0.653 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 409539148 RIXVAZNWMYGVLL-HDICACEKSA-N 429.587 0.215 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)C1=O 410116768 GJMMINXSOFPWCW-OAHLLOKOSA-N 425.507 0.618 30 20 ICED CN(CCOc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1)C1CCOCC1 410143000 OJZSARMKBUWWDT-HXUWFJFHSA-N 438.550 0.735 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CCO1 410388851 SOVKUTZFOGGNKY-KGLIPLIRSA-N 434.396 0.527 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N1CCc2ccccc21 460615916 BKOLNRMTSPTJAB-UHFFFAOYSA-N 429.440 1.091 30 20 ICED CCN(CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460700247 IYKDXFYDQHWGCL-SFHVURJKSA-N 439.520 1.345 30 20 ICED N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cn1 460764501 FWNCHBJGDNNKNV-UHFFFAOYSA-N 426.414 0.754 30 20 ICED Cc1ccn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)c1C#N 467210490 FLNYKTYTIVZGGY-UHFFFAOYSA-N 430.486 0.366 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 472114651 GPWPLBYHCQFJGE-UHFFFAOYSA-N 445.549 0.882 30 20 ICED CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476682582 DUHYJUBUFCYKDE-RBUKOAKNSA-N 449.515 0.860 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 480952206 MTDJMKHATJVOJZ-UHFFFAOYSA-N 434.477 0.663 30 20 ICED CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498739248 HRSYTVXREOCIHF-UHFFFAOYSA-N 435.550 0.409 30 20 ICED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1nc(C(=O)OCC)cs1 501941720 DALWPRCPFXOESH-UHFFFAOYSA-N 432.462 0.286 30 20 ICED C[C@@H](O)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C1 501951980 YJPCCWKEQRWHJN-IAGOWNOFSA-N 442.520 0.842 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 509381198 SKDBUIVGZCJRCO-XPKDYRNWSA-N 437.474 0.178 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 511395756 BEDSFMDYDNNINR-UHFFFAOYSA-N 436.472 0.708 30 20 ICED COc1cc(C#N)ccc1OCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 514502042 CJSQNPSSBOTXIY-UHFFFAOYSA-N 430.486 0.942 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515690844 HPCVFNONHOPLSB-UHFFFAOYSA-N 434.499 0.651 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1=O 522992467 WOIQKGVRMXDIKB-UHFFFAOYSA-N 437.250 0.871 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 532711006 WZHYKEAMVFOCQM-XRGNVEDSSA-N 426.583 0.393 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1=O 533620354 GGMKTULGAQAIKA-CQSZACIVSA-N 425.449 0.816 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 537288883 BMAPRRAZUIWKBA-HOTGVXAUSA-N 425.580 0.471 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)CCO)cc3)CC2)c1C#N 538454099 KDDNQXZPIHJJAI-UHFFFAOYSA-N 446.533 0.175 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc2cccnc12 542220239 YVNRMKBRRICZJW-UHFFFAOYSA-N 447.520 0.377 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)OC)CC1 543223961 YZVMDMVBBRHEPG-OAHLLOKOSA-N 432.477 0.618 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 544299098 CIUPVGKXWLVSCT-UHFFFAOYSA-N 431.493 0.592 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cn1C 550978218 HYBCUYWDIZATJX-CQSZACIVSA-N 444.517 0.311 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3c(C#N)cnc4ccccc34)CC1)CC2 553286065 GGRAJECAJQXVSQ-KRWDZBQOSA-N 444.499 0.786 30 20 ICED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 558040412 JOOLMFBYRXPYIL-FUHWJXTLSA-N 431.512 0.961 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccncc2OCC(F)(F)F)CC1 564314803 GZMNCRRBDCFSBE-UHFFFAOYSA-N 443.426 0.085 30 20 ICED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576735060 JTHVAMCUUDSVAJ-ZWKOTPCHSA-N 425.489 0.245 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 582374798 GGXOVUOBRLENPL-UHFFFAOYSA-N 443.467 0.897 30 20 ICED Cc1cc(CN2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)no1 587653278 FQAGQRGQVZVALC-UHFFFAOYSA-N 437.504 0.679 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccnc3OCC(F)F)CC2)c1 589171525 OIEBSVHHYPCXJA-UHFFFAOYSA-N 430.415 0.957 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 608911529 IBDCOWDDFRAVNO-UHFFFAOYSA-N 434.477 0.545 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 608923349 UYPIELRKYVKTED-UHFFFAOYSA-N 438.529 0.106 30 20 ICED Cc1nnc2n1C[C@H](CNC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 609747950 NBXDVMPAMMHOSM-KRWDZBQOSA-N 443.533 0.737 30 20 ICED COCCCn1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 610664228 IKWPZGRTGGRACO-UHFFFAOYSA-N 427.465 0.944 30 20 ICED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 616129797 ATVKERGPVYPAGJ-KBXCAEBGSA-N 430.486 0.911 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4nc(N(C)C)no4)C3)CC2)o1 619782040 SKURAEPMEXXEBU-OAHLLOKOSA-N 428.497 0.832 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 733149002 UAYNVWXFMXNESL-UHFFFAOYSA-N 431.558 0.623 30 20 ICED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCC1(N2CCOCC2)CCCCC1 741341847 SGTYUXIWKWDFAW-MRCUWXFGSA-N 448.520 0.597 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2scnc2C)c1=O 743728324 IUZXHGADFXECJN-UHFFFAOYSA-N 436.559 0.367 30 20 ICED C#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 744364460 BWDQZGVEWPOOPW-QGZVFWFLSA-N 431.514 0.791 30 20 ICED Cn1ccc(N2CCC[C@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n1 744571721 JTDSGEDYFLQPEB-INIZCTEOSA-N 431.474 0.964 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(CC(=O)NC)no1 750317025 QSGWSQNLCHZKEH-CYBMUJFWSA-N 449.489 0.699 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C#N)C1 754381014 YZBMRJNLFZVESD-ZDUSSCGKSA-N 434.474 0.803 30 20 ICED CS(=O)(=O)Nc1ccc(N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cc1 755019890 MEDZPCDMKDFXRA-UHFFFAOYSA-N 435.531 0.904 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1F 755477787 UKMYPKVMBUMUTC-DSIZOQBWSA-N 447.488 0.827 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ncn1 757202301 XKAMFCPSIUOAGF-JJIBRWJFSA-N 430.490 0.853 30 20 ICED CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(S(C)(=O)=O)CC1 758753119 OKCANXOSVZXQKR-UKRRQHHQSA-N 429.543 0.811 30 20 ICED Cc1noc(C2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C2)n1 765897209 YMSBRVDYUDDWQE-XQNSMLJCSA-N 446.489 0.755 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)c1 765908040 QIYHLWFAFIPEJL-AKKXKAEUSA-N 447.517 0.271 30 20 ICED CN(CCc1cnccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 771230402 SPNLEYOXXAMVIZ-MOHJPFBDSA-N 444.517 0.929 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CC[C@H](N(C)C)C2)cn1)c1cc[nH]n1 772434244 NRLJKJSTDSLSPK-HNNXBMFYSA-N 429.481 0.868 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 773347777 QGTPEPLCAHLYPT-UHFFFAOYSA-N 435.484 0.887 30 20 ICED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 777820343 YXFOORQVQXXWMZ-UHFFFAOYSA-N 438.469 0.957 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 780042715 FLHFDZWRDSDHDI-OAHLLOKOSA-N 427.461 0.209 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789171981 HOHSVFLSRDMGPK-QGZVFWFLSA-N 441.525 0.743 30 20 ICED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N(CCC#N)c1ccccc1 803861118 NBDHEAIHXXUOSO-ZDUSSCGKSA-N 432.458 0.734 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805092542 MCMQLGWFZCHHJM-UHFFFAOYSA-N 436.515 0.876 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 808232326 LSALLMGTFZATHU-OAHLLOKOSA-N 443.426 0.161 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)[C@H]1CCCO1 809313987 ZONMMSZJFIRMKX-IAGOWNOFSA-N 431.489 0.658 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 810352359 OMNQLVDZQXPEBM-UHFFFAOYSA-N 448.589 0.482 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 810475328 KGAHOFXAHQJBTB-UHFFFAOYSA-N 427.458 0.007 30 20 ICED CN(C)c1ncc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 814696934 RITMMHSKLSPVAZ-UHFFFAOYSA-N 435.466 0.918 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C1CC1 839380008 CMHAMRGEXYJJDL-UHFFFAOYSA-N 449.536 0.755 30 20 ICED N#CCCN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652579 FWSRFTVMGULSTN-NVXWUHKLSA-N 433.486 0.512 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2)c1=O 916198265 IPQSETANAXBTOT-UHFFFAOYSA-N 431.514 0.601 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCOC 916200886 SXLUVEPXVKCROA-UHFFFAOYSA-N 435.571 0.972 30 20 ICED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916898855 IWVGMVHTZLOVGW-QGZVFWFLSA-N 426.454 0.768 30 20 ICED CC(C)CO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919286988 FJLIYQDXLGEJSP-INIZCTEOSA-N 437.518 0.995 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 1115963156 YHRBXQHJUKMLNM-MRXNPFEDSA-N 444.517 0.204 30 20 ICED CC1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1291181480 JEWHGTCPCCBQKO-IAGOWNOFSA-N 439.586 0.739 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)CC2=O)cc1 1325053205 XMWUHALLVLTERP-MJGOQNOKSA-N 446.529 0.564 30 20 ICED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1503290170 GHBBZCVSQYGLQA-PBYQXAPXSA-N 430.534 0.927 30 20 ICED Cc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cnn1C 1510511365 WTPDHIVHTMYEQO-QGZVFWFLSA-N 448.553 0.441 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1618709809 NRMDBUPOKLQQTR-ZWKOTPCHSA-N 442.476 0.095 30 20 ICED N#CC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1625126282 JWMCKVLPSQKFDB-IAGOWNOFSA-N 425.532 0.345 30 20 ICED CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1722758957 ODAUNZQWJWWZNU-KBPBESRZSA-N 425.559 0.885 30 20 ICED CC(C)CN1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1723476603 YEHIULJWPYLIEC-ZWKOTPCHSA-N 431.541 0.486 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1729373199 LREFAEZFFGKZGY-OAQYLSRUSA-N 426.477 0.263 30 20 ICED CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1761303974 JWIWNPUENIBVBY-SFHVURJKSA-N 448.549 0.996 30 20 ICED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1770988519 SVGZMJCQLMUQAM-FQEVSTJZSA-N 449.533 0.751 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1777983396 IOKJRVKEPXDPCG-YCRNBWNJSA-N 426.517 0.999 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c2ccccc21 1778165347 VHLDFAKHKHWBQE-QHCPKHFHSA-N 448.483 0.683 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779065193 VJMRNYNAWHKYLX-QHCPKHFHSA-N 428.533 0.881 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030612 VEVRJLVPXVZOIO-FCKCSMDESA-N 446.460 0.783 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781494833 YMJIBMPFHORHNT-WJONJSRFSA-N 448.520 0.648 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963395 GTEVBBNBLYSUJK-RXVVDRJESA-N 432.452 0.292 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782667758 FMGXAZLNBCICCI-XAEMIUIASA-N 444.532 0.603 30 20 ICED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810369 NCMNRYOONZBBNE-IEIRFRATSA-N 426.517 0.755 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCCOC3=O)cc1)CCO2 1783563669 WNZJJJWMHIJQDL-QFIPXVFZSA-N 441.440 0.565 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccc(O)cc1 1784016566 VXSNOALPFLQSQG-HTAPYJJXSA-N 428.489 0.387 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)c1 1785084138 OFZPITGCHHTGFY-JPYJTQIMSA-N 444.532 0.044 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccnc4C(N)=O)[C@H]3C2)cc1 1785519397 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O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886469 CWLSGQZSYGESMO-XJZLKLOZSA-N 436.534 0.762 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1 1797626009 ZTLHYKGCTUUYHM-CCWDJLKJSA-N 439.476 0.103 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)cc1 1798925245 NALGLYUKJPYIOK-JLVBRIDZSA-N 444.538 0.622 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(N2CCN(C)CC2)CC1 1799977923 MGFCOFMCJZLBKB-REPLKXPHSA-N 432.565 0.914 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2 1801987127 ITKDPINMBROYGI-JONQDZQNSA-N 429.498 0.823 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)C2 1802017756 FZBCPSXXLODNIP-OPMZPASUSA-N 441.532 0.705 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)[C@H]1c1cccnc1 1802477149 NKRXEYRBZIABGW-MYAXFQQDSA-N 441.532 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1802487357 HTAXWIWKJINBKL-VPCYTDGVSA-N 436.472 0.755 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)ccc1F 1807059094 MDRIKZMNJBWKBZ-KKSFZXQISA-N 437.479 0.824 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H]1c1cccnc1 1812873410 BNQOHNLHUIXRAP-QRWLVFNGSA-N 440.481 0.667 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)n2cnnn2)[nH]n1 1814439235 DGLIVQDCBGLFNX-CEKUCVKPSA-N 427.469 0.508 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817195453 PVMPNBARAKTRHF-OMMCCPJFSA-N 445.461 0.859 30 20 ICED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822379356 GMLLBXOGJDZMHG-TZMCWYRMSA-N 429.568 0.451 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1823515495 LXRLJMRDFDWPJX-JSGCOSHPSA-N 435.481 0.629 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)CC1 1826625776 PYOMEOTWFCVTFH-QWPQOLDESA-N 425.551 0.509 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)ccc1F 1830603049 QNGLWFYWZPSLQQ-JOCHJYFZSA-N 429.448 0.675 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831205208 KZGSSEKEKDHYLF-IBGZPJMESA-N 431.480 0.961 30 20 ICED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)CN1 1833122960 MJIDVUIEDPKGKQ-HIQXPHMNSA-N 443.548 0.796 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCSC)CC2)CC1 1833469406 UPBHGNWLMSRZAY-APWZRJJASA-N 425.595 0.710 30 20 ICED Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)c(=O)nc1O 1834603107 CCEMAGWLMYTOJK-UHFFFAOYSA-N 442.520 0.133 30 20 ICED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1834713466 OOFMVRCZSLTDGJ-GOSISDBHSA-N 440.378 0.631 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)C(=O)O 1834739268 IWACRFSTGQHQBR-ANRKENSESA-N 447.536 0.333 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192522 KUXQXEZZLCZJAO-HSZRJFAPSA-N 434.533 0.568 30 20 ICED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835660959 HYXJVBMACWRTKV-BXKJMJEDSA-N 435.546 0.943 30 20 ICED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1835702655 XBRZKZXXLKPGGI-BHSRTUAOSA-N 444.536 0.010 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837442369 WNLGOVQAJNLLID-MOLUECDUSA-N 444.532 0.648 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)c1ccco1 1837488945 VUVXXYVRZHGATA-QHCPKHFHSA-N 444.484 0.617 30 20 ICED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837560411 PRXUMQHFIOCXBM-IGPUNGKJSA-N 432.521 0.497 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1838584887 MDZFZALXPQBUMA-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838737899 DXOSROCDCZMCGF-QFIPXVFZSA-N 438.488 0.731 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1839228886 RPMNLVWWHNHXDH-DBXWQHBBSA-N 435.525 0.777 30 20 ICED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)c1 1839420581 RFWIPYMEVRDETB-JOCHJYFZSA-N 441.463 0.973 30 20 ICED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489418 UFTTYQQAZJAYHK-QKKBWIMNSA-N 427.461 0.539 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1839886961 RRTUMTOOQNCRNL-WMLDXEAASA-N 438.493 0.335 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008845 NPRXFHHRQRGXTG-URZJWIJPSA-N 448.520 0.613 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1840042334 NYSQPBLAQAZXLO-QGZVFWFLSA-N 429.351 0.192 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840158532 NAHRPQPVHVJMCC-KUHUBIRLSA-N 431.555 0.628 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840178491 KJVAXHCXSIZWMY-DHIUTWEWSA-N 444.484 0.110 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840234161 JCEXJNIOUFVZGB-GCJKJVERSA-N 438.521 0.605 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]3(F)Cl)CCO2)C1 1840243674 GERNXXJGTBPPCI-CCKFTAQKSA-N 430.908 0.649 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840577127 LJCKFQLUZINBPH-HVHMTYQGSA-N 441.550 0.867 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840609051 MADOQVFFNHSNCI-NIRMNWTQSA-N 429.448 0.660 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1840899823 YHICGACKXRXLRX-LYSGITKLSA-N 443.412 0.152 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)cc(OC)c1 1847784531 IVOSLNOIJTVDCW-BVGQSLNGSA-N 434.518 0.710 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 8630153 CFJDGKWMNHZKLX-OKILXGFUSA-N 439.490 0.653 30 20 ICED CN(CC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)S(=O)(=O)c1ccc(C#N)cc1 428002776 ZNUDXIIHIDANGP-DCCOYFSTSA-N 427.526 0.804 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)cc1 441588483 SBRJIIKQUFANCF-UHFFFAOYSA-N 432.433 0.834 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C3CCOCC3)n2)c(Cl)c1 442141832 UYBPYZAWVLZDPE-HNNXBMFYSA-N 444.879 1.123 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CCCN(CC#N)C3)CC2)cc1 461475389 YKLJXNCIYXYIJM-LJQANCHMSA-N 433.578 0.653 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465125484 BUGVJANFWJLQGI-CABCVRRESA-N 444.517 0.761 30 20 ICED N#C[C@H]1N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCC[C@]12CCCCO2 468119289 HFKMOMMGNGLUNI-WIYYLYMNSA-N 446.529 0.875 30 20 ICED COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 475420788 LBWDBTOKQBTMOG-UHFFFAOYSA-N 428.424 0.529 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CCN(C)CC1 478863301 ZRPDWHLQQGEBMC-UHFFFAOYSA-N 442.589 0.982 30 20 ICED COCCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480659191 CSIPUJSJAOUXCV-HNNXBMFYSA-N 436.534 0.616 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCCO2)c1=O 505698953 FEJNTGICEXWBEE-INIZCTEOSA-N 441.557 0.646 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508739417 KHJNYAFFYXRJDO-ROUUACIJSA-N 436.557 0.557 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 520866971 LXHVXRFZJKJYRP-UHFFFAOYSA-N 426.542 0.015 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(N)=O 524282917 SHCRSWDWBVTDBL-UHFFFAOYSA-N 442.541 0.003 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 524890344 AKKSMANHGJJFLP-IYBDPMFKSA-N 442.563 0.527 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)n1 536972372 PLTFMIDJHWLGHN-UHFFFAOYSA-N 429.481 0.819 30 20 ICED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539361909 IPUYQIXTOHESBG-LJQANCHMSA-N 437.541 0.502 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 555782261 ORCQCYMZCORNDJ-NRFANRHFSA-N 448.527 0.792 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 556030112 MBUIYPTXYRFGQJ-GFCCVEGCSA-N 429.296 0.799 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccncc2OCC(F)F)CC1 558417517 DAHKNVUAXGJQDU-UHFFFAOYSA-N 430.415 0.957 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 574605147 ZWUDZOYTQABGSK-CTNGQTDRSA-N 441.576 0.460 30 20 ICED CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123853 MJOGLUPLVWMTIF-LEWJYISDSA-N 432.613 0.886 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 588125090 WRONEWCWYKJSEV-GOSISDBHSA-N 433.459 0.676 30 20 ICED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912323 TZNFMQKMRVILBY-UHFFFAOYSA-N 448.504 0.936 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(F)c1 610082855 MJOJVPBQJQKQDO-UHFFFAOYSA-N 442.450 0.084 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)C1=O 623212443 IULFSPURNTWJSR-UHFFFAOYSA-N 441.488 0.363 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCC2)C1=O 624856240 GOXJJBOTMFSZGT-UHFFFAOYSA-N 444.444 0.855 30 20 ICED C=CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 669807887 QHHPWKBELPAGKJ-UHFFFAOYSA-N 438.532 0.757 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1=O 726042123 DOYWENFGIPBSKO-ZIAGYGMSSA-N 445.428 0.193 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 726042316 HXGCUFXELYVGJY-UHFFFAOYSA-N 428.401 0.272 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCN(C)S(C)(=O)=O)C1=O 726890769 XRVFRIKVBKWPLC-ZDUSSCGKSA-N 443.551 0.439 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 728590002 QTOLIMDJORDAMO-UHFFFAOYSA-N 447.298 0.347 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673604 XHLRQKQVGKMNSO-UHFFFAOYSA-N 425.557 0.045 30 20 ICED C#CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 739825441 POWMENQCSRCCOV-UHFFFAOYSA-N 428.532 0.821 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 745536813 GLIBFFJCICQZOW-JTQLQIEISA-N 429.451 0.632 30 20 ICED CS(=O)(=O)CCOCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 745855491 VUCYWDBFMHLBON-UHFFFAOYSA-N 431.518 0.999 30 20 ICED N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747227715 WSRXPHWUBPPSEK-GFCCVEGCSA-N 438.453 0.611 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C\c2cnnn2C)C(=O)/C(=C/c2cnnn2C)C1 751033402 YQTBSHGEFFOCDG-ACFHMISVSA-N 443.493 0.024 30 20 ICED CCN(C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 754280005 HDJQUOOZXSQEHT-SFHVURJKSA-N 438.550 0.191 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2sccc2OC)c1=O 758090355 QGEYNFQWPQQZKN-UHFFFAOYSA-N 431.564 0.692 30 20 ICED Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 771549060 RYOHFVDZVAMXRS-AWEZNQCLSA-N 442.505 0.152 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 779624421 OSHPJFQHGGQJOE-HXUWFJFHSA-N 446.573 0.378 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 784850561 YMVRKVPEZWPFPK-INIZCTEOSA-N 448.545 0.774 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)nc1 787130391 MTIHZZBSOLQZJT-IBGZPJMESA-N 426.521 0.361 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 787972093 OVJNGVMTFPNMIR-KNKKCGMZSA-N 444.460 0.666 30 20 ICED N#Cc1ccc(N2CCC(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2)c(F)c1 797022055 AXXJUJMGBQEIGM-MRXNPFEDSA-N 432.477 0.880 30 20 ICED C[C@H](C(=O)OCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)n1cnc(C#N)n1 798741902 FKIGIGLICPWSNN-ZUOKHONESA-N 439.432 0.228 30 20 ICED CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)s1 798846846 CZUWVSJVTKIVEP-LBPRGKRZSA-N 438.535 0.982 30 20 ICED C=CCN1CC[C@H](N(C)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1=O 799141889 FALMMXOTLWVKOP-OXJNMPFZSA-N 434.518 0.533 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2=O)cc1 806685921 SYJUZQSCQJXTHI-ROUUACIJSA-N 426.473 0.577 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274097 UQZCJNSUGWKQSG-UHFFFAOYSA-N 437.472 0.353 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2cnn(C)n2)c1 815818822 DGBZYDUJQADMRG-JJIBRWJFSA-N 447.521 0.315 30 20 ICED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815871188 DUJQSRSJZOYGEL-NLFAIWHDSA-N 435.550 0.991 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 893447597 HJNJWNXKCCXQSB-DZGCQCFKSA-N 439.490 0.701 30 20 ICED COc1cc(C=O)ccc1OCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915367330 SBXMLKRBPBYRKY-UHFFFAOYSA-N 442.428 0.947 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)ccc1F 919075616 UBMIWOWUFKBHHP-OAHLLOKOSA-N 441.481 0.574 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1288526820 YTBJWWXPHNIXEA-ZBFHGGJFSA-N 426.543 0.776 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1296664268 MIHKRKOBWBSBBM-RXVVDRJESA-N 434.541 0.506 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1322846483 NFVNBCDPJQRAQH-QZQOTICOSA-N 426.477 0.153 30 20 ICED N#CCCN(C(=O)CCc1nc(CC(=O)N2CCS(=O)(=O)CC2)no1)c1ccccc1 1326492865 LARGQJWQNKJQMF-UHFFFAOYSA-N 445.501 0.749 30 20 ICED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1343443694 UJTUZUMOXFFAKH-KRWDZBQOSA-N 432.502 0.896 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1496290058 ZBJVVZMMFZRGPN-AEFFLSMTSA-N 442.568 0.882 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1517600495 OYGAVEDGJNRSSS-UHFFFAOYSA-N 425.493 0.957 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1517629587 TYLITEIISRMKLG-MRXNPFEDSA-N 429.506 0.177 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1589395706 ZCADTMXHDRBOCP-LBPRGKRZSA-N 427.303 0.433 30 20 ICED CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 1611797524 SCKAZQITBDKGSP-JKSUJKDBSA-N 438.554 0.020 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1618711069 VVRNJWGCRRFWHC-MSOLQXFVSA-N 444.492 0.341 30 20 ICED N#Cc1cn(CCC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(=O)nc1O 1630900928 LBAIVLANKOXWAE-UHFFFAOYSA-N 427.436 0.653 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1692541827 WLVUMUDQOFMLSB-SJLPKXTDSA-N 430.557 0.314 30 20 ICED N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712886106 IVYMGDYROWBENO-YLJYHZDGSA-N 447.517 0.178 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748295136 RGFBAWUFMHIICW-INIZCTEOSA-N 430.538 0.374 30 20 ICED CC[S@@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766751405 OSQINROMWKMSHS-AZYRPFHASA-N 446.581 0.791 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)CCOC1 1767483781 PBNPLNGWNFFOFZ-XGHQBKJUSA-N 448.524 0.154 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115651 ZJPCUEZWZZSJJK-JXFKEZNVSA-N 443.566 0.079 30 20 ICED COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101140 HZAFYYZAQLHFFW-CHKZVEJASA-N 436.465 0.794 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937253 YBUJLGFUXFOOJI-VTJXTGGHSA-N 431.493 0.294 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1Cl 1780191561 FNTHJUIDVFWAQT-FQEVSTJZSA-N 430.896 0.495 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-n5c(O)nnc5O)cc4)C3)C2)CC1 1780200673 FHOMKYLVNZBONX-OAQYLSRUSA-N 438.444 0.426 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nn(C)c3c1CCC3)CCO2 1781269450 SLVYQBLXBYGFKQ-QFIPXVFZSA-N 430.505 0.862 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccc3)CC1)CCO2 1783558567 RPSHIAQOQDUXEV-HSZRJFAPSA-N 425.485 0.821 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1 1785545451 UXRODZVLKCKUCZ-FQEVSTJZSA-N 444.538 0.862 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789805261 KPBIQNPYWMPJDH-VJANTYMQSA-N 438.638 0.701 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794409029 ILDVJAKQGRUVHK-XOIINTDNSA-N 434.472 0.267 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cnc(OCF)cn1 1794411117 OBCRUVGLTVJFRO-ZFQQLPINSA-N 431.424 0.698 30 20 ICED NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccc1 1795673684 MFBKWMXXXZVFRX-RWHVCZPKSA-N 444.532 0.848 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1796563309 ZVXKBZYAYHVRNZ-ALXJQNPVSA-N 443.504 0.353 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C2CCN(C(C)=O)CC2)CC1 1797279949 PFCSKFDYUMXCQT-JHDGKUDLSA-N 446.592 0.875 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1797653160 QMVRPQLKEOBOGP-ZMMAXQRCSA-N 430.505 0.615 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818602 VGMPXJWKNHRVLD-NZVMSORJSA-N 433.509 0.871 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)c1 1798693592 RIVSGIZIDQJQFZ-VPTLXERWSA-N 446.467 0.882 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882597 AESYVFBSHSMKJQ-HIRMHNASSA-N 438.488 0.552 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccnc1 1802687823 WAIRKNUPXNEJBN-PVAVHDDUSA-N 435.550 0.965 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)c(O)n1 1802914816 NCGCVTIUMHENMG-QAPCUYQASA-N 426.473 0.931 30 20 ICED O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804185095 BPWQSSNZQCMSSD-CVDCTZTESA-N 445.479 0.691 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810277997 BRWDDIOWHWIZAC-DDCMRGNDSA-N 449.577 0.994 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813047352 NBMAQQYXERHINZ-HNAYVOBHSA-N 434.460 0.331 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425460 HBYCWUBLWRXXTC-WBVHZDCISA-N 444.536 0.693 30 20 ICED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751671 VVCQOMNDDWAJEA-RYQLBKOJSA-N 429.521 0.823 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821602949 DXYMHJRGRWJVGD-MGPLVRAMSA-N 432.462 0.633 30 20 ICED O=C([C@@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997142 ALGDSSNBZLCAHM-OITPDSKSSA-N 446.548 0.969 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830183077 XVDHASWHIXVDAR-NRFANRHFSA-N 434.514 0.574 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831638796 GZPQHJYJGLPKLF-VGSWGCGISA-N 431.489 0.676 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833449041 DEFIQMOYJJAFQE-OAHLLOKOSA-N 439.582 0.190 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1833468775 FSEMNPAYNGLNSA-MRXNPFEDSA-N 445.520 0.171 30 20 ICED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1833489436 YGIDIDBXQTYORL-SFHVURJKSA-N 426.583 0.965 30 20 ICED O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833769558 BEKGLXJKIBBZLF-UHFFFAOYSA-N 437.544 0.796 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134481 HKGAEKKACPEJKK-WMZHIEFXSA-N 437.581 0.892 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356771 KXWXVRVQMNYUKD-QFIPXVFZSA-N 428.489 0.776 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1835628682 TWQMPNJOIJSKLB-HXUWFJFHSA-N 436.465 0.145 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cnn1C 1835672585 FECSFNMQTQUEHX-OAQYLSRUSA-N 432.525 0.080 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053142 TZEWUDSYIWWOQF-QFIPXVFZSA-N 446.504 0.375 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836107707 ZFYGMFWFSZZWKF-QGZVFWFLSA-N 428.533 0.609 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837209626 XVMJJIVAOXGECJ-CBGDNZLLSA-N 439.509 0.276 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(C)C 1837212465 AKEYBIMYPIOLQT-ZWOKBUDYSA-N 430.567 0.985 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1837395223 TWWRRUPSKDEEDZ-XXBNENTESA-N 446.548 0.791 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1837398506 CKBWNNHOAZEVDG-HTAPYJJXSA-N 449.504 0.881 30 20 ICED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531066 BHEAGBQBABRRTK-NWKSEYAWSA-N 447.492 0.384 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1)c1ccccc1 1837612520 GIESYQZQWLODDX-CVDCTZTESA-N 441.532 0.123 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838070517 BTXKQVLXSKCLNJ-OAQYLSRUSA-N 425.445 0.565 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474142 BIIDTHOCCOVAHX-UZLBHIALSA-N 437.518 0.835 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1838516264 CAECJHMXXRNPGT-JOCHJYFZSA-N 447.536 0.513 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838738180 VHDCJLUVZXEXFX-NRFANRHFSA-N 427.461 0.745 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838907212 FIHBEJNFZKHGSR-XFNOLROGSA-N 438.528 0.968 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)c1 1839450798 HNDWDBKYQZEASQ-JPYJTQIMSA-N 440.500 0.463 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839697291 ORNMKQSQFXZWGO-RFZALTQYSA-N 434.562 0.790 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807260 RMNKSOYQFJFUAC-QFIPXVFZSA-N 433.505 0.643 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1839924177 VRTJGCYVPKDNDY-PWISXXLXSA-N 428.485 0.900 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840039499 VFPUAGVQJYKQIW-XGRCMKMKSA-N 448.520 0.756 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840845312 SUQYNHUITIIFPX-XOPAWIAISA-N 430.457 0.686 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841745458 DIHQLIWNSUAAGV-KGLIPLIRSA-N 449.508 0.257 30 20 ICED O=C(NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccnc1 1841969862 YEAQETAFRZOSCH-NZYROCMPSA-N 429.477 0.544 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)no1 1844283078 MDTHWUGJZBJJMT-UHFFFAOYSA-N 428.489 0.615 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2nc4c(=O)[nH]c5ccccc5n4n2)C3)c1 1844795992 WYEXGHMAYIQPBO-UHFFFAOYSA-N 442.439 0.901 30 20 ICED CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)C#CC3(O)CCCCC3)C4)CC2)CC1 1845102517 JHVGCLNHAWSTPJ-UHFFFAOYSA-N 428.577 0.668 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)cc1C#N 1846879516 UCNPCMANVCINQL-UHFFFAOYSA-N 444.532 0.449 30 20 ICED CNC(=O)C1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 63330257 OMVKJEAAFAJXJF-UHFFFAOYSA-N 433.534 0.879 30 20 ICED COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 426684181 XWTJMHNQFNLUOJ-UHFFFAOYSA-N 445.483 1.494 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)s1 433182104 ZPOASGUHDMBGTC-UHFFFAOYSA-N 425.492 0.580 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1Oc1ccccc1 442000938 LCKBHZPAZAGITO-MRXNPFEDSA-N 433.424 0.458 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 446793621 QSNOUBRZUWNRNK-DOTOQJQBSA-N 425.507 0.365 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1-n1cnnn1 465402520 JFTJJGMOCIHYNN-CYBMUJFWSA-N 448.447 0.008 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 467248340 WGQRVEATMMCSKC-AWEZNQCLSA-N 431.460 0.820 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 470853418 CJYKHOZVVYCWTI-UHFFFAOYSA-N 430.490 0.920 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)c1C#N 472096222 RRDWWIIILQJYID-UHFFFAOYSA-N 438.540 0.044 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473392990 GUGQQSMANZLSHG-GOSISDBHSA-N 425.489 0.245 30 20 ICED COc1ncc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(N)=O 475196061 YOTPNNDRAWNWMK-UHFFFAOYSA-N 436.472 0.734 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 476169538 YLKZBQIPUVSAOZ-ZWKOTPCHSA-N 428.489 0.869 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 477497144 AUJRFNSVAISSJB-CQSZACIVSA-N 426.481 0.433 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480936396 NILAHAITMJMXRM-UHFFFAOYSA-N 428.495 0.369 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 481969259 GCMBUNPUUXOOIN-UHFFFAOYSA-N 444.538 0.824 30 20 ICED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1n1cccn1 494041370 HOLVMHQBGHRXCP-KSZLIROESA-N 434.460 0.868 30 20 ICED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)cn1 497726286 RYDLNDNKXVBJQM-KRWDZBQOSA-N 439.495 0.865 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1 505101921 DDLYEUVFLDPBLY-UHFFFAOYSA-N 426.523 0.930 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(-n4cncn4)nc3)C2=O)cc1 505263326 CCHJFSDKJDPXLH-KRWDZBQOSA-N 430.428 0.784 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505667074 YVRHLGWTZCGTSL-MRXNPFEDSA-N 444.557 0.877 30 20 ICED N#CCC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 506364012 PFESVAGWOYGWNJ-UHFFFAOYSA-N 428.430 0.570 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 508309168 PRSCETNIOIAEIX-UHFFFAOYSA-N 431.478 0.079 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C1CCN(C)CC1 512733387 LMLXYRBAATVJFO-UHFFFAOYSA-N 442.589 0.812 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC3(CC2)CCS(=O)(=O)CC3)n1 517045868 RFGZNBYYMMBEMJ-UHFFFAOYSA-N 442.501 0.895 30 20 ICED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 523003167 KUMFYBBIHFZBTD-UHFFFAOYSA-N 441.513 0.895 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c(F)c1 527327109 WTJHKWOVPDOWCK-UHFFFAOYSA-N 444.432 0.837 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)nc1 551429316 HFBKYCUQKWKNGW-GOSISDBHSA-N 439.476 0.100 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 556205633 GIPSUFLGBZUFNZ-PMACEKPBSA-N 433.597 0.566 30 20 ICED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 559623967 QBMZYNDKDFKBNM-UHFFFAOYSA-N 427.486 0.322 30 20 ICED N#CCNC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 561397496 QYBWLQOEPHHUHJ-GOSISDBHSA-N 430.461 0.697 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc(C)n1 568889624 NMIVLGIILOMZAR-UHFFFAOYSA-N 448.531 0.794 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)N[C@H]2CCOc3ccccc32)n1 571488490 JRDNHWBFWDQJAH-HNNXBMFYSA-N 445.439 0.834 30 20 ICED C=CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 573254921 CXAUDTFOVKDMGV-YJBOKZPZSA-N 446.529 0.738 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 575373347 NNOLZTPHXHNGGC-PZJWPPBQSA-N 442.541 0.836 30 20 ICED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 581621792 HCOIIZZQRQFWFQ-QGZVFWFLSA-N 436.516 0.592 30 20 ICED C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 610761501 AUWYKBHGUBWKJM-CYBMUJFWSA-N 436.515 0.704 30 20 ICED N#CCc1cccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 619473880 XVCIBMFNLPIPOR-SFHVURJKSA-N 441.575 0.653 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1F 679753533 UJRRXGCGKHFWCR-UHFFFAOYSA-N 429.473 0.805 30 20 ICED N#CCNC(=O)COC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 731236484 DLYNOHCSXGNYIQ-OAHLLOKOSA-N 443.485 0.906 30 20 ICED CC(C)(CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(C)(=O)=O 731651449 MYCVBXVWWVZBCH-UHFFFAOYSA-N 444.579 0.730 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(=O)N(C)C 735068941 MRLARIKYCCXVCN-UHFFFAOYSA-N 428.489 0.251 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 735477934 XXSAORLBBVORDX-HNNXBMFYSA-N 430.490 0.161 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 743917522 QRDCFFNLTNYVNT-SAZKUCFMSA-N 433.534 0.791 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 747261759 JVEIRDAPUMZKGI-UHFFFAOYSA-N 430.324 0.513 30 20 ICED N#Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 748289741 YPCCSCMPQLRKPR-HNNXBMFYSA-N 427.438 0.985 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 748464711 IXZTXBMVJLFYKH-UHFFFAOYSA-N 426.521 0.291 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(OC)cc2)c1=O 753787991 HHPBCRGEGRVJHL-UHFFFAOYSA-N 435.509 0.906 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763029444 KZPQTZPFRSYIFV-ZDUSSCGKSA-N 428.470 0.454 30 20 ICED COc1cc(C#N)ccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 766242095 STXXMHIDXOWTJJ-AWEZNQCLSA-N 442.519 0.233 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 767627509 NSBVOGGNRLZKGB-ZDUSSCGKSA-N 445.453 0.813 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(CCN2CCCC2)c1 770024751 UXQJZFWWCNQYJP-FMQUCBEESA-N 425.489 0.906 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780066821 GIQPZNZZHATVQU-HNNXBMFYSA-N 438.506 0.426 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nc(N)nc(N(C)C)n1 791604666 XWZAPMIGTJDAHY-NRFANRHFSA-N 437.460 0.728 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)nc2)CC1 801553531 RDCLDTVKKCHYHM-UHFFFAOYSA-N 430.490 0.370 30 20 ICED C[C@H]1C[C@H](C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C(=O)OC(C)(C)C 807978984 KJNHEQUFBPFWIE-QWHCGFSZSA-N 443.526 0.384 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(F)cc3F)CC2)o1 915373418 TVDBCPLKVLHZNX-UHFFFAOYSA-N 447.398 0.755 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CC1 917791144 GSLNMOOAJHBTMA-ZDUSSCGKSA-N 429.546 0.850 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 920187422 HDENHYIKQQXUAS-UHFFFAOYSA-N 442.501 0.355 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1191711625 NJIMYJRDUTYOEB-UHFFFAOYSA-N 436.538 0.086 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1295058654 YLMFZLHQYFNAKK-UHFFFAOYSA-N 438.536 0.505 30 20 ICED CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1305270137 WMZVJPLFVBGUKB-KRWDZBQOSA-N 445.549 0.861 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1316359782 KJSIJLWYWCRJIV-UHFFFAOYSA-N 443.533 0.472 30 20 ICED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322379105 UQVFXQSQOGUDHI-IAOULYHDSA-N 428.367 0.261 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1335897280 KZXYRXLTLVIORE-UHFFFAOYSA-N 446.576 0.699 30 20 ICED CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1451639177 MCQKWWSGVKSUGD-RTBURBONSA-N 425.489 0.864 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cc1 1452242560 FXMWAKHCQPLJNB-IERDGZPVSA-N 448.545 0.947 30 20 ICED CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517623635 NYSWONPZYQXNKI-CQSZACIVSA-N 433.542 0.327 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541113551 XXWMPTIJNDIHLN-IXDOHACOSA-N 430.557 0.768 30 20 ICED N#Cc1ccsc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1587742773 OPNICIISBVIGDK-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1635769041 URCXMPWQFZJTNM-UHFFFAOYSA-N 447.492 0.839 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(O)c1 1692792773 FEQONKQWAFDHCX-PBHICJAKSA-N 445.549 0.819 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)CC 1694327639 RLHGEEXQWFUHOE-QGZVFWFLSA-N 429.522 0.578 30 20 ICED Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1711247466 UMWLPNNFEDQDFO-UHFFFAOYSA-N 433.538 0.748 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1723963437 ZXUDADGEPRVBRL-YPMHNXCESA-N 428.906 0.167 30 20 ICED CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1726816324 AEIAYASMCUBBJX-UTKZUKDTSA-N 428.493 0.841 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1771533680 VDKAADUKAJYXBT-UHFFFAOYSA-N 428.518 0.668 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1778180890 JTVFMCHDFBVGLD-UUOWRZLLSA-N 439.512 0.901 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1778972042 SEXCYTOPCGZARO-QVKFZJNVSA-N 434.493 0.715 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106348 OCVGIHUEAYIBIK-FUCSDKOVSA-N 433.509 0.878 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780031982 SCUDSICESMIWRJ-NRFANRHFSA-N 429.477 0.536 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)Cn5ccncc5=O)C4)C3)c2c1 1782663969 GJLSGYPWMILGLG-JOCHJYFZSA-N 447.455 0.135 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054245 CRJNFKWIPMABNO-ORQYLMBXSA-N 447.532 0.864 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)nn1C 1784240597 HCZJLJHAYIFCCL-OONZPKAESA-N 447.536 0.780 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1784369342 LSCFRVXSDKNQAQ-QPPBQGQZSA-N 449.511 0.339 30 20 ICED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(C#N)nc4C(F)(F)F)CCO3)C2)C1 1784781925 KEOZKKJGBVSUOK-IBGZPJMESA-N 437.422 0.977 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2 1785378927 YONXZZUVEWGLMF-OAQYLSRUSA-N 439.428 0.282 30 20 ICED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785737458 HNLPAIPSFUQBRJ-NRFANRHFSA-N 437.493 0.455 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnc4nc3O)[C@H]2C1 1790363271 OAKOQESXBKTYKJ-XIVBQZFQSA-N 438.484 0.967 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1792258894 SSULJZSDPDTHLS-APAFKAMOSA-N 449.548 0.919 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1792837451 UCWOZDFWINIRMS-PZTGFMGMSA-N 429.904 0.807 30 20 ICED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1794280284 HXCRAWPXEVXKDH-IAYGOTRASA-N 442.520 0.715 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn2c1CN(C(=O)OC(C)(C)C)CC2 1797315676 RKBZIVLJMLJELZ-JLVBRIDZSA-N 443.504 0.470 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)[C@@H](O)C1 1801987687 DBVZSBPXNLPLAB-JJTUDDRGSA-N 449.504 0.331 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1803571255 ODPKGLKBCGOZHP-PLMTUMEDSA-N 425.489 0.935 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)C1 1804856666 VDBSUPKGXPBFKI-HCZHMGAMSA-N 445.608 0.712 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810333729 OLMATIMBGJAZDR-HFSMHLIXSA-N 426.517 0.921 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810398854 HITKYCMVSOVRTR-OESONBKDSA-N 449.467 0.725 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)/C=C(\C)NC(C)=O)[C@H]1c1cccnc1 1812315668 HXVLVVLWCJZMFC-NWKWWBEPSA-N 439.516 0.986 30 20 ICED COC(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812877491 MGNBXPJTDJYIQB-YWZLYKJASA-N 436.424 0.671 30 20 ICED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)[C@@H]1SC(=N)NC1=O 1822201197 XIUXGXGAEYIADZ-ISOBSLSZSA-N 432.462 0.292 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1829887577 WZVXUFOINOJGHD-DEOSSOPVSA-N 425.529 0.836 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885485 GOHRDCFPVDZDKM-HRAATJIYSA-N 441.525 0.295 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831108037 WAWAFQOAKFHEPO-UGKGYDQZSA-N 438.569 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1831391995 HNKXNKXUSJAJLT-JTSKRJEESA-N 441.488 0.146 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831393923 SDHZDXBBCQYUJX-MEKIYTOJSA-N 441.528 0.196 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831409133 MAJSDZBJBFNNKN-JOCHJYFZSA-N 443.504 0.782 30 20 ICED CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833094708 SWDZRCREAIUDOM-HXUWFJFHSA-N 448.612 0.755 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833123449 UCQNWBDLXGWPBB-QFBILLFUSA-N 434.581 0.657 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833472822 HRTUZAASKXIIOG-IRXDYDNUSA-N 443.610 0.830 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833492133 XJSYVOUUQSSLBL-MOPGFXCFSA-N 442.626 0.664 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833775172 KMTIIECTHQYXDK-NRFANRHFSA-N 433.530 0.912 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833942687 MVGTZZRJLNMGAJ-PLNGDYQASA-N 444.536 0.169 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cn1)CCO2 1834378835 JLPPUXXWDCTHBT-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CN1CC(C(=O)N2CCC(N3CCC(NC(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)C1 1835768881 NGXGWULDABXFRN-KURUZVKSSA-N 435.569 0.649 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836206542 RBENWUNVAOUUAU-NRFANRHFSA-N 443.891 0.440 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666131 RBQZJTMVHDIOFA-QHCPKHFHSA-N 436.597 0.683 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837398823 KAESZZLONYEBTL-CVDCTZTESA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837443911 MVLKFHMEHXTEAK-DUYDGHCJSA-N 431.493 0.329 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)ccn1 1837531274 GRXIYOUUZRPTBU-VJIOCRDPSA-N 446.504 0.989 30 20 ICED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccccn1 1837562745 OYSIZOQHOWJTKB-DSMHQBTASA-N 441.488 0.250 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C1 1837674631 HUSZIEADKVPPBQ-PNLZDCPESA-N 439.553 0.321 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838048270 SZAKLWJEKZAGNP-QHCPKHFHSA-N 435.484 0.955 30 20 ICED NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1838400680 OWEPAYSNQKYBAC-UHFFFAOYSA-N 433.549 0.949 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474919 WWIPEGRHERHGGC-HXUWFJFHSA-N 435.502 0.800 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)C)[nH]n1)CCO2 1838692472 QYPAMSVWOLTHKC-LXHZQTKUSA-N 445.520 0.462 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1838737249 MJGROAIIXFUSNK-NRFANRHFSA-N 435.444 0.313 30 20 ICED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740020 DLIKHMHDMXOARK-HTAPYJJXSA-N 431.537 0.934 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839223741 HBULHFHMODLTSB-LZNRXBQRSA-N 433.505 0.977 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839225159 ZEEUALUIMFDBBU-YCRPNKLZSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584072 WZTMUTQTLOIYTH-OPAMFIHVSA-N 447.536 0.780 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1839859825 IHALNIZTRZCKMU-HXUWFJFHSA-N 434.880 0.418 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839888338 HFQQDFZWKAVCAX-LJQANCHMSA-N 438.431 0.462 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840144780 LHQUSIZXKAJSKP-YCRNBWNJSA-N 432.517 0.836 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cnnn1 1840478811 BYIJZQUNUZSJOH-VLIAUNLRSA-N 443.439 0.015 30 20 ICED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819407 IWAHRTWGCMWHIK-JOCHJYFZSA-N 439.472 0.739 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840841684 PISWIYFYVWVRID-OAQYLSRUSA-N 449.529 0.110 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)C2 1841603262 JBALDGVPUCENEL-HOIFWPIMSA-N 449.548 0.989 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1845187133 BTNMJPHXSKBRFJ-OAHLLOKOSA-N 439.509 0.585 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1845201072 RJQNWJFPEHZYLC-ULQDDVLXSA-N 436.553 0.772 30 20 ICED Cc1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc1S(=O)(=O)NCC#N 426873662 CMSUXZMOMXGKJO-UHFFFAOYSA-N 430.486 0.700 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 427863550 JTLPOGJFZCVHAP-MRXNPFEDSA-N 436.440 0.718 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436595643 MLZYIJMEFXSVQM-HNNXBMFYSA-N 442.497 0.915 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)CC1 460586318 NPMUYGVCJLIOIS-UHFFFAOYSA-N 445.487 0.541 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 460653502 FXKBAEAUTCEVKJ-RDTXWAMCSA-N 439.563 0.891 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 464822652 MZCVMWLOPZUBNR-KRWDZBQOSA-N 435.536 0.915 30 20 ICED N#C[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[C@@]12CCCCO2 468120540 KWDVQLHPNPSTQO-RXVVDRJESA-N 446.529 0.875 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 475919678 MHGDGJDCRFHFSL-IBGZPJMESA-N 448.545 0.560 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cccc(OC)n2)c1=O 479372428 RHJQEHWDIPBMFZ-UHFFFAOYSA-N 442.541 0.934 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cs1 480958508 UCNZVCJTTZJVAL-UHFFFAOYSA-N 429.527 0.993 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 481153986 GLAXCVOXFXZEJX-XJKSGUPXSA-N 432.477 0.825 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 481157072 UMKLAGSQGZKCNJ-RHSMWYFYSA-N 444.517 0.753 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)c1=O 504900253 URCTZHNPQLXOCX-UHFFFAOYSA-N 426.473 0.744 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507464928 OXAGXHVQAGLSNL-VQIMIIECSA-N 427.505 0.349 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CCN(C)CC1 518712559 GTPCDOFXPGODLR-UHFFFAOYSA-N 429.571 0.747 30 20 ICED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 523130203 ODFSVCBRSJORPA-UHFFFAOYSA-N 439.490 0.630 30 20 ICED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 523731716 HEWLKJLGZIAPPG-UHFFFAOYSA-N 431.514 0.985 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2C)c1=O 523742973 JSHVASQLGXKDDF-MRXNPFEDSA-N 429.542 0.909 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccnn3C)c2=O)cn1 523859797 GZYOBZUJWAMVHU-UHFFFAOYSA-N 449.496 0.261 30 20 ICED CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 533002846 NWHVSEPHWZHXTR-AWEZNQCLSA-N 427.440 0.364 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542999962 PLOYPZLRPLSTLJ-CYBMUJFWSA-N 434.453 0.362 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 552810292 VDKBNHHDKGXSFE-CYBMUJFWSA-N 443.485 0.421 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 554435398 WTBLVDPULYZBOV-LJQANCHMSA-N 434.500 0.881 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 558121144 DTTKCLCHUQFJED-AAEUAGOBSA-N 449.459 0.391 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 583105897 BRANACQGFJDUSW-CQSZACIVSA-N 438.410 0.271 30 20 ICED CN(C)C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 603730628 WKWIRNVETAVQQA-UHFFFAOYSA-N 433.534 0.785 30 20 ICED Cc1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1S(=O)(=O)NCC#N 610635739 HWIQKXSAHFJGET-AUUYWEPGSA-N 433.490 0.247 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 611365186 QCCUEIYOQGYTRI-UHFFFAOYSA-N 436.472 0.916 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CC[C@@](F)(C#N)C2)c1C(=O)OC 615647356 ZMSPLDSRMOSUPM-GOSISDBHSA-N 441.437 0.913 30 20 ICED N#Cc1c(CCCNC(=O)CCn2cc[nH]c(=O)c2=O)nn(-c2ccc(F)cc2)c1N 726865869 QQOWQEKRQHXSLR-UHFFFAOYSA-N 425.424 0.454 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC(N)=O)CC1 728869459 JJLIGXFEGBMYAY-INIZCTEOSA-N 435.550 0.159 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(=O)NC1CC1 730029966 YFQOPOOWNIEDRU-OAQYLSRUSA-N 426.429 0.683 30 20 ICED Cn1nc(Br)c2c(=O)n(CC(=O)Nc3nc4n(c3C#N)CCS4)cnc21 735635514 IOYIQAUWAHMGMF-UHFFFAOYSA-N 435.267 0.705 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739157458 WRPKSBDAEZAODK-MRXNPFEDSA-N 449.467 0.631 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)CC1 741096289 XNVIBBKEWKGMQT-UHFFFAOYSA-N 446.529 0.362 30 20 ICED N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 743299662 QRPRJZRFFFAIHQ-UHFFFAOYSA-N 428.430 0.867 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(C#N)o3)c2=O)c1 743728414 PRSXTKBVRHEZNZ-UHFFFAOYSA-N 444.472 0.611 30 20 ICED COCCN(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 754292655 JMMQNHCMQUMTAY-QGZVFWFLSA-N 426.539 0.047 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758061135 VPSUQNZTLJQFAG-OAHLLOKOSA-N 444.538 0.117 30 20 ICED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 758552288 YVIGPBKYASSYGX-AVUKIGBWSA-N 434.497 0.765 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 765146595 VRSBUKHLXGTDFJ-UHFFFAOYSA-N 426.502 0.753 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 767683097 ZVSIYDSJMLNBAL-LBPRGKRZSA-N 443.437 0.982 30 20 ICED CCOC(=O)c1nn(C)cc1[C@@H]1NC(=S)NC(C(=O)OC)=C1C(=O)c1cccnc1 769854206 KYUJKURDTGUFSU-ZDUSSCGKSA-N 429.458 0.821 30 20 ICED Cn1nc(-c2ccccc2)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1Cl 771896693 GQANOJGEDKPYFZ-UHFFFAOYSA-N 436.881 0.450 30 20 ICED C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCO1 775323411 DKJROMGXJMFFNE-RBUKOAKNSA-N 433.530 0.597 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 775913903 PVWDVHWDXHBSRG-VOJFVSQTSA-N 427.479 0.951 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCC1 784184294 CTYPBDUBNLUQMA-ZFWWWQNUSA-N 441.893 0.570 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CNC(=O)C(F)(F)F)C3)CC2)o1 810068138 IYOAVFZNYZVGLL-AWEZNQCLSA-N 442.442 0.894 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CC3(CCCCC3)Oc3cc(O)ccc32)c(=O)n(C)c1=O 814883712 XPWKBOKJQVAVIN-UHFFFAOYSA-N 448.501 0.958 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)CC1 815015867 OATHBMGWIZTLEL-UHFFFAOYSA-N 425.482 0.367 30 20 ICED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918640553 VUPKMNCCMQBYLW-CQSZACIVSA-N 442.563 0.436 30 20 ICED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)Nc1ncnc2[nH]cnc12 919315174 DNLNGJUWBGRBFS-LLVKDONJSA-N 428.430 0.710 30 20 ICED 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ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1778740383 KNVRIBOFYPAVBT-OIMFZILRSA-N 449.548 0.751 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779101185 IDEIBIQNTSHAQY-OYGDCGAPSA-N 449.508 0.502 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779241416 MYVPNOSZKZHPGI-STXHMFSFSA-N 435.529 0.634 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779340567 YRAKLQRNSOVOIB-WJONJSRFSA-N 448.520 0.648 30 20 ICED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779412043 SPCFEJJOBHRILK-NSISKUIASA-N 427.567 0.070 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1780696494 RQUZYLZNHZIIQG-JOCHJYFZSA-N 434.456 0.255 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4nnc(C)o4)CCO3)C2)c(C#N)c1 1781173588 GOYGYNXIPQMCHO-QFIPXVFZSA-N 439.472 0.873 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1781265115 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427.505 0.911 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cc1O 1833410184 ZICMUQQYPGKEBP-NRFANRHFSA-N 443.435 0.520 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)CCC)CC2)CC1 1833468599 VAAJXGPZCPINOV-QZTJIDSGSA-N 434.581 0.901 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833840976 GHLJLEJWSUFSNR-DPZZJQGRSA-N 445.501 0.386 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834234290 ZIRWVBCLMXJLNX-KTBYTZPXSA-N 444.513 0.991 30 20 ICED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)c1 1834286614 QZBSOHVQOWHWDG-UHFFFAOYSA-N 429.569 0.887 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)Cc4cscn4)CC3)CC2)CC1 1834599589 GJESONLWUUUZMV-SFHVURJKSA-N 430.578 0.888 30 20 ICED N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1834676578 UTMCCBLRLOMCCI-ONEGZZNKSA-N 446.577 0.542 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835339280 KCWFKTFSCFETKP-NRFANRHFSA-N 447.513 0.464 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394598 RKVUDWJFLLRNLK-KSFYIVLOSA-N 443.504 0.372 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837524580 JVDUDEOERZEORP-XILVHTRDSA-N 433.465 0.076 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)n1)CCO2 1837932509 GRXHHACNHSMQDO-GOSISDBHSA-N 441.362 0.258 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742275 BVVRTVARCIMIJJ-NRFANRHFSA-N 432.477 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1 1839353081 RYLXMCOENLHZNM-QVKFZJNVSA-N 449.435 0.842 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)Cn5cccn5)C4)C3)c2c1 1839488007 QOQIFLOJUCGWTR-QFIPXVFZSA-N 449.471 0.401 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839811654 HNZHGHBZRTZNFC-QFIPXVFZSA-N 435.521 0.723 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839880300 LUINMNMMWGXXQB-SZNDQCEHSA-N 432.452 0.292 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)c1C(=O)O 1840044534 LAHWGHUJYKPLBV-JOCHJYFZSA-N 444.440 0.160 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(F)ccc3OC)CCO2)C1 1840248511 KTYGGWRRQMLXJF-UZUQRXQVSA-N 448.491 0.872 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)c(F)c3)CCO2)C1 1840525270 CAOHNNSADJBTFO-GAJHUEQPSA-N 448.491 0.872 30 20 ICED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ncn4nc(N5CCOCC5)ccc34)C2)CC1 1843153992 YJNBFSHDXXYPBC-UHFFFAOYSA-N 435.488 0.687 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@H](N)C(N)=O 1847939207 CQOXGSJGBGMLBX-VGWMRTNUSA-N 437.541 0.250 30 20 ICED Cn1c(Sc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)c(C#N)c(=O)n(C)c1=O 23619176 XZEPWTYLHLTJTA-UHFFFAOYSA-N 439.457 0.112 30 20 ICED CCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 60320405 LUBFAFQEGPIUQV-GOSISDBHSA-N 447.561 0.382 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)C1=O 427554931 ILUYDOJKSUXNOJ-LBPRGKRZSA-N 427.379 0.949 30 20 ICED COC(=O)CC1(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS(=O)(=O)CC1 439684212 ANMKYBVKGNJLER-UHFFFAOYSA-N 449.464 1.515 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441945238 HLHCLODASLCMEI-AWEZNQCLSA-N 438.509 0.973 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3cccc(N4CCC4=O)c3)n2)cc1 443340298 CBUZXCAHECWOIR-UHFFFAOYSA-N 429.440 1.190 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)c1=O 444407800 PTBINMKGXPTLAQ-LJQANCHMSA-N 436.472 0.319 30 20 ICED Cn1cc(Br)cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1=O 444504920 ISXXDICWEHVYFA-UHFFFAOYSA-N 445.277 0.702 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 460603072 RDXGYSNTWFYKCB-INIZCTEOSA-N 449.446 0.985 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 464824347 VGIMGKICCNYFSA-UONOGXRCSA-N 429.506 0.977 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465195334 RPHWZJYQSYTZOQ-GXTWGEPZSA-N 446.537 0.103 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1CC 467559833 LMTASAFYZGVSRX-AWEZNQCLSA-N 443.525 0.899 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)c1C#N 472892330 SBDASJOKJLTCIK-OAHLLOKOSA-N 426.481 0.121 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478035905 IXNIKVUKEGRSDI-UHFFFAOYSA-N 429.564 0.704 30 20 ICED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 478852164 HDVCRCASDHFDMY-UHFFFAOYSA-N 429.502 0.528 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479369453 YYGBWLUTWTXJMB-GFCCVEGCSA-N 429.527 0.348 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)Cc2ccnn2CC)cc1 484708207 XIUBEAQYEYUGOY-UHFFFAOYSA-N 449.533 0.669 30 20 ICED CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490092406 NBWLPWWGXPEHBR-UHFFFAOYSA-N 438.492 0.743 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 491111498 WUCJZELYKYYDHE-UHFFFAOYSA-N 439.310 0.843 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CC4CCOCC4)CC3)n2)cc1 491445773 JWTYPGYWXXRRJH-UHFFFAOYSA-N 437.504 0.707 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491588675 KJXWHIKTSIEKOX-CQSZACIVSA-N 433.896 0.542 30 20 ICED COc1cc([C@@H](C#N)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505548029 XLCPGDYMQIQDSA-WYEVINAZSA-N 429.429 0.556 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 508075557 JCVZIADQWGAUSF-KRWDZBQOSA-N 447.923 0.008 30 20 ICED N#Cc1cncc(S(=O)(=O)N[C@H]2CC[C@H](NS(=O)(=O)c3cncc(C#N)c3)CC2)c1 520462316 KNXKWBQCZAKHLU-WKILWMFISA-N 446.514 0.788 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1C 527030584 PBNOKODNHDJKLD-OAHLLOKOSA-N 441.509 0.211 30 20 ICED Cc1cc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)n(CCC#N)n1 533007418 BJMZSAZYFNCSEJ-UHFFFAOYSA-N 429.481 0.805 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1 542934708 RNSNMXOHJZZAEA-ZDUSSCGKSA-N 436.881 0.822 30 20 ICED C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(N)=O)C1 555269107 UDFBKNWMMXDHQG-HXUWFJFHSA-N 439.564 0.909 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CCO1 555990925 GRLPLIOTNXYPIM-QGZVFWFLSA-N 449.515 0.538 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccnc1OCC(F)(F)F 556003739 UDFJJZPRWVHGNP-UHFFFAOYSA-N 439.398 0.907 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1CC(N)=O 558636781 XNHIATZOBGYQQW-UHFFFAOYSA-N 436.537 0.858 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(C#N)cc1 559722312 CIZDIROWHSZZKL-QGZVFWFLSA-N 449.515 0.711 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc(OC)c1OC 571664363 PZJLWJHPKYYSJR-OWCLPIDISA-N 433.461 0.800 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 572196001 DPIOFOAEKSQWQZ-APWZRJJASA-N 432.484 0.912 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3cccc(N4CCOCC4)c3)n2)cc1 578385910 FRPNHBYORFKTNI-UHFFFAOYSA-N 445.483 1.290 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)nc1 578564172 KKOWMCCQBMWNAR-QAPCUYQASA-N 447.451 0.863 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 580847368 FZBYFQLPOUYZJF-LBPRGKRZSA-N 429.296 0.799 30 20 ICED CCC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1CCOC 587641035 OFRNHCBUTFWODN-HXUWFJFHSA-N 442.564 0.998 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cn1C 610798196 QELVSLISQSCGME-GOSISDBHSA-N 433.534 0.541 30 20 ICED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 726622857 WEUFLCJHLVOKML-LBPRGKRZSA-N 436.515 0.640 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCS(C)(=O)=O 729671687 VJPJCRDQFWOLHE-UHFFFAOYSA-N 445.566 0.377 30 20 ICED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCNC1=O 729970918 NZMURIKMUMUJKD-CYBMUJFWSA-N 434.474 0.442 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742270796 CPNJFZOCEQGZLD-UHFFFAOYSA-N 428.467 0.997 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 746399417 GVJMRBNIYUZBAR-UHFFFAOYSA-N 444.579 0.730 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 755035533 MEBSALDEJQTBNC-UHFFFAOYSA-N 431.562 0.172 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC(C)C)c2)c1=O 758070603 VPLHKUPSSLFJKM-INIZCTEOSA-N 439.537 0.984 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CCOC 758950803 JCJNKCAAPOXDOF-UHFFFAOYSA-N 445.497 0.323 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762297186 XNKGVKHHXKYKEG-KUHUBIRLSA-N 442.497 0.924 30 20 ICED C#CCOCCOC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 762718891 RGKANRFSOWNFSZ-UHFFFAOYSA-N 435.502 0.720 30 20 ICED CC(=O)Nc1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 769162453 UZPPTTWOXPHLCW-UHFFFAOYSA-N 430.442 0.977 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C3CCN(C)CC3)c2=O)cn1 772301262 CYTZRJQSTVUKPC-UHFFFAOYSA-N 426.546 0.503 30 20 ICED COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 781440588 NRUAWZCTOJOPMM-UHFFFAOYSA-N 427.417 0.924 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCSC[C@H]2CO)c1 784913050 YRTFGDNSHSZBJP-XSOQZJFOSA-N 440.547 0.374 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 787579142 ITLFCEICDSWBRW-UHFFFAOYSA-N 432.414 0.089 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CC)c2)c1=O 794614444 GSOGGCWMZCJNGD-INIZCTEOSA-N 430.530 0.661 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813983070 GMOJCNWHBBJSPG-AWEZNQCLSA-N 437.478 0.274 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC 916664691 UQZQSPDZRRTGMN-UHFFFAOYSA-N 443.525 0.747 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC 917771387 WPFAWSPCUQPTSI-UHFFFAOYSA-N 427.526 0.910 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)ccc1F 1116373470 GVPWRBDBQYHJAT-AWEZNQCLSA-N 443.500 0.876 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1252841773 DQZFDANNNPLZPQ-ZDUSSCGKSA-N 426.502 0.835 30 20 ICED CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1298897650 PJLLPKLIIMWDKZ-KRWDZBQOSA-N 430.557 0.269 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1360240909 UOJAOMWEONCPCI-QGZVFWFLSA-N 449.581 0.418 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1502730296 ZDGFVPNXBLHJSH-DBXWQHBBSA-N 432.525 0.917 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1509955753 RNFOHMQIWLQDJH-LSDHHAIUSA-N 426.543 0.654 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS2)C1 1519563063 KDIDQURLYODBKH-ZNMIVQPWSA-N 442.567 0.235 30 20 ICED N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1620356316 WIELKDOINYEFEP-OAHLLOKOSA-N 427.490 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCSC1 1692795590 OLNAXMOFCPOOQY-LZWOXQAQSA-N 439.611 0.818 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1743482258 NZXIRJHBCIIGPQ-IPELMVKDSA-N 440.570 0.902 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1751238182 UAFJTCXYLZJGFC-HOTGVXAUSA-N 425.559 0.493 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779103789 AVRIMOVFBYUWJJ-FBWGCAEPSA-N 433.509 0.712 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1780652420 BMGCGAMLAFVYRI-NRVIRDBHSA-N 435.521 0.361 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)ccc1F 1781294713 OFSFMOJYJDRXSM-OPAMFIHVSA-N 428.464 0.596 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781650050 MYUDJGXRLFGUFF-MIALQEHNSA-N 426.535 0.116 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781852769 HZFLCJRYDCMHFE-CKFHNAJUSA-N 431.555 0.614 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4nc5ncccn5n4)CCO3)C2)c1 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0.158 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839654202 SMWFXRLKVWOWLE-UTKZUKDTSA-N 438.594 0.695 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840108301 ORMJAQVBVUSFDM-WHSLLNHNSA-N 441.525 0.293 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1840231601 BMXUZGNCKONKIB-PGRDOPGGSA-N 426.473 0.154 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1841598274 ZXVQJALJICOZAK-SQNIBIBYSA-N 449.548 0.846 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846459425 YASSAUVTQFLKSV-HNNXBMFYSA-N 446.504 0.584 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 12597959 RVPMHIIHJRJTFD-QGZVFWFLSA-N 429.520 0.980 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 409538863 UNZALMYPMQAEKF-UHFFFAOYSA-N 446.551 0.490 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434812832 FOXFBAVGUUAHMQ-OAHLLOKOSA-N 441.506 0.410 30 20 ICED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 439562152 QYCDXBGSVWIZBM-AWEZNQCLSA-N 437.522 0.520 30 20 ICED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)nn1 442485122 XFMXFWHSTKAKFF-UHFFFAOYSA-N 430.424 0.882 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 443855265 PTLQGWJLMBBNFF-YXWSMURKSA-N 447.513 0.983 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 471811590 SCCFGYBITBRLTO-IAGOWNOFSA-N 433.534 0.240 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCOCC 479385290 FDJHMNMLOCGICV-UHFFFAOYSA-N 430.530 0.769 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(Sc3nnc(CC#N)n3C)c([N+](=O)[O-])c2)CC1 480830683 UIARTTNUFDSZSW-UHFFFAOYSA-N 437.507 0.877 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 480938906 RLEMRSXAWYXSMG-BBRMVZONSA-N 434.460 0.841 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480958248 PPCIWXPDIAJTHU-CQSZACIVSA-N 442.522 0.806 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 487023373 YFQGYJSMLRKQNY-QGZVFWFLSA-N 433.534 0.783 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1S(C)(=O)=O 498447391 WTVHHLRUSPXKPC-CQSZACIVSA-N 442.501 0.736 30 20 ICED N#CCCN(C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cccc(Cl)c1 498999572 NAJZSPWVPZGTOR-MSOLQXFVSA-N 440.953 0.362 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 506198236 AIQIDAZSEZENDI-KBXCAEBGSA-N 442.497 0.981 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC(O)(CC#N)C2)c1 506379457 SGQVASCDUJCNFO-UHFFFAOYSA-N 436.534 0.654 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(F)(F)F 507061296 HFQOEMSQTKPHAX-JTQLQIEISA-N 438.432 0.387 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1=O 508854644 SWVUDOFZXFNKPD-UHFFFAOYSA-N 444.429 0.193 30 20 ICED CCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(=O)C1=O 510109466 MDSTTXVGDIGTKW-UHFFFAOYSA-N 426.433 0.146 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)n1 514085864 XRLQHYGPGMHHOE-UHFFFAOYSA-N 436.407 0.935 30 20 ICED C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)NC(=O)NC1=O 519591075 JMLZKMFXTABVKS-KUHUBIRLSA-N 433.490 0.471 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523743686 CGWCRHYRSCJCSO-UHFFFAOYSA-N 443.525 0.761 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 531940845 VPCZDVRHUMBQFA-FKIZINRSSA-N 441.469 0.918 30 20 ICED COc1c(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1C(N)=O 542989434 PULMNAYOJVSYLF-QGZVFWFLSA-N 435.440 0.916 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(N)=O)C3)n2C[C@@H]2CCCCO2)cc1 550050833 VOJWYRUZQYLVQY-ZWKOTPCHSA-N 426.477 0.988 30 20 ICED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 572063018 HJACXDFVKPIVPR-UHFFFAOYSA-N 433.515 0.815 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 579987236 RXYPJDIQTQORON-PZJWPPBQSA-N 428.533 0.717 30 20 ICED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 580334964 ZFRUQEOVVHLWCD-QGZVFWFLSA-N 433.557 0.362 30 20 ICED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 584622061 HATAIXRNLGSDMP-PMACEKPBSA-N 441.532 0.248 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 608553260 PASANRHCCHNZRL-SUMWQHHRSA-N 439.476 0.976 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)C2=O)cc1 609610021 RFDSJOHFQGMAOL-GUDVDZBRSA-N 425.489 0.821 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 609813260 PIQPHSZMBNIYCP-AWEZNQCLSA-N 428.367 0.801 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2c(F)cccc2Cl)c1=O 727164570 QOABAWOTOXSWCR-UHFFFAOYSA-N 426.882 0.278 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 729286735 KPRLPOLQEHLUJU-JSGCOSHPSA-N 436.490 0.623 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC[C@@H]2CCOC2)C1=O 731560236 SBWKAQVYZSCPOW-CJNGLKHVSA-N 434.518 0.906 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732908582 OVAFXORYBDTNKO-LSDHHAIUSA-N 437.905 0.654 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(=O)OC)nn3)CC2)cc1 749409690 QFVONWCNDCZETR-UHFFFAOYSA-N 443.485 0.137 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 752339498 DPJUZJOUQZCWCA-CQSZACIVSA-N 442.540 0.224 30 20 ICED C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C#N)c1 753660288 ZVJBNASMZWLYGF-IUODEOHRSA-N 432.458 0.594 30 20 ICED C#CCN(C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C1CC1 763801109 GGIWKBQGHIRWIQ-UHFFFAOYSA-N 435.484 0.679 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)c1 766872311 AAHCEVDGEKNDEY-UHFFFAOYSA-N 429.454 0.742 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1CC1CC1 771556602 JSXFWCXSCSDTEL-OAHLLOKOSA-N 431.522 0.853 30 20 ICED CCCC(=O)Nc1ccc(O)c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771898632 QXKFOIXNWLFEMT-UHFFFAOYSA-N 437.478 0.231 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 773639399 LLCNULMBCPRRJX-HZPDHXFCSA-N 439.534 0.378 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@H]1CCCO1 773787794 BMHBXBWFUKBTFH-WOJBJXKFSA-N 441.532 0.132 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 786310545 JOIQXLBJVCWPTP-ZDUSSCGKSA-N 442.494 0.826 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(=O)c1C#N 791172705 IMPLWLYPZNALRV-GVARAGBVSA-N 445.273 0.977 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOC)c2=O)n1 794581580 IYNZNHNVNVAZQB-HNNXBMFYSA-N 443.525 0.849 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cn1 797387678 IXZYYXMSHMBHDS-AWEZNQCLSA-N 431.250 0.807 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)c1 802632816 FSFBTGNWBGGNEJ-IGCAKMCNSA-N 426.470 0.371 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnc(S(C)(=O)=O)s1 803398062 KEFBWZVBNLVXMV-SECBINFHSA-N 430.489 0.223 30 20 ICED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 804095535 IDZGYYNGXVHJOI-ZWKOTPCHSA-N 432.908 0.402 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 804262342 MKZJPTQFERXEPE-CYBMUJFWSA-N 433.513 0.770 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)n1 809871562 JXVLPFPJJKSCRP-GOSISDBHSA-N 441.536 0.318 30 20 ICED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCN1CCOCC1 915926483 SZGIIXYMOMGCKH-CYBMUJFWSA-N 449.002 0.335 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CCOC)CC1 916199953 PEGLPMXOHVXPPD-UHFFFAOYSA-N 446.598 0.593 30 20 ICED N#C[C@H](C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1nc2ccccc2s1 917075859 XRRYURNRSDNPHL-OAHLLOKOSA-N 441.513 0.476 30 20 ICED CON=Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 918571963 UEAWFKFMJYSCEZ-UHFFFAOYSA-N 431.518 0.944 30 20 ICED Cc1nccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 919467045 QMBZADQXHABDBY-UHFFFAOYSA-N 429.458 0.347 30 20 ICED COc1ccc(CCC(=O)N2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1136533708 MCNOJRCTAIBPRQ-UHFFFAOYSA-N 439.472 0.523 30 20 ICED Cc1ccc(N(C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)[C@@H]2C=CS(=O)(=O)C2)cc1C 1307379294 WSCTZLJPLMANHN-QGZVFWFLSA-N 442.497 0.688 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)C1=O 1323488101 DSGSCOWKJIETNT-CQSZACIVSA-N 431.449 0.994 30 20 ICED COC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)nn1 1463483542 MVKQVNCMDPUTJF-UHFFFAOYSA-N 426.252 0.944 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509780561 QNMISQLUBMBSAO-MRXNPFEDSA-N 432.554 0.778 30 20 ICED CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)S(C)(=O)=O 1515707714 WPCPTQKYDKPLAC-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)C1 1519530617 PCJKRUCRYBXAPC-LPHOPBHVSA-N 433.513 0.987 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)cn1 1558226502 NPEFQEMUYVJFAN-SFHVURJKSA-N 440.891 0.929 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCS(=O)(=O)C1 1612600066 SPCKZTKOOYCAAN-GOEBONIOSA-N 430.538 0.788 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1663526485 XMIUOBDOIJDYGY-UHFFFAOYSA-N 432.424 0.936 30 20 ICED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1691009320 XFGHBAVEVCIIDE-MRXNPFEDSA-N 445.549 0.975 30 20 ICED CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1728189104 SRYSJNIQSAJVRQ-INIZCTEOSA-N 446.533 0.994 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1741702817 JSAYYMMPJJQWOJ-OAHLLOKOSA-N 425.493 0.920 30 20 ICED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1)C(F)(F)F 1778355980 BIWFKXWJQPACKR-GOSISDBHSA-N 432.443 0.099 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779016471 WFZTXUPWFBJDQQ-GQBLCDNYSA-N 430.509 0.791 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779312184 ZFMZQHUXCHHOIG-DENIHFKCSA-N 428.489 0.082 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(-c3ccncc3)[nH]n2)C1 1779743138 LHYAVXZRNBNENI-XMSQKQJNSA-N 437.456 0.687 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780398106 AGMXLTWSQOMPOY-OAQYLSRUSA-N 426.429 0.561 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1780961599 JWRMAMOSTBJLNU-JOCHJYFZSA-N 426.473 0.216 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1781149838 LNEPGYUMASEVCE-DNVFCKCGSA-N 441.532 0.587 30 20 ICED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1781736222 DIVSHWBLWQAPIV-DBXWQHBBSA-N 441.594 0.443 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CN(C(=O)OC(C)(C)C)C4)C2)C1 1782559875 QGRALEKBGRPZBQ-JOCHJYFZSA-N 443.504 0.748 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=O)c2ccccc2)C1 1783101808 PLACMHIIXYZYPL-WZONZLPQSA-N 441.484 0.408 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(C)n3)C[C@@H]21 1783528387 SSIQOTZQYHBGQD-KQYWMXRHSA-N 426.517 0.771 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1783557361 LASCNJZJOZJQJX-HYBUGGRVSA-N 439.512 0.817 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783565153 PNRVQRAYDXUEQW-FGZHOGPDSA-N 449.504 0.551 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783923523 JNIZCVXVYIWOLS-DHIUTWEWSA-N 443.500 0.937 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1784002797 DJWOLOZWZSUWPZ-FZPSTPAASA-N 449.548 0.654 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784012250 UTWKSEIGYMVJSK-XSLAGTTESA-N 447.532 0.862 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H]5CCNC(=O)C5)C4)C3)c2c1 1784040975 UDFCJABPBZBDDN-NYHFZMIOSA-N 436.472 0.404 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c(C#N)c1 1784746879 JZJBNRNSASOJEZ-OAQYLSRUSA-N 449.529 0.374 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378153 YVRNYLFDIQFGSQ-YLNCNTMDSA-N 438.484 0.625 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C[C@@H]21 1786367354 IQQOTEHFYYDVDF-TUFLPTIASA-N 426.517 0.781 30 20 ICED CC#CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccccc1 1788707816 JMPQISBLTUDWBS-WOZUAGRISA-N 436.516 0.850 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c1Cl 1789271366 RXZDKZHGUYBCCR-OTRWWLKZSA-N 430.892 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790369267 QWQXXGINKRUMEY-GFXHUTCISA-N 443.504 0.117 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21)C(F)(F)F 1790880588 FRYCVZHFFSNEES-XUXIUFHCSA-N 441.472 0.412 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)cc1 1792424371 TTWDKOPWVHFLNK-UPHUGPLXSA-N 437.504 0.414 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1793381601 ZXWKOSVZQXMXLL-KYTCRMMBSA-N 428.580 0.333 30 20 ICED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)C(F)(F)F 1793692241 MLZIVJVUHGDABJ-CXHZTBPHSA-N 432.439 0.588 30 20 ICED 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)n1 1794794207 MCCNEKMUPYJPKS-CYGHRXIMSA-N 445.520 0.540 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105639 WWNFRPRFJXBCTH-HIRMHNASSA-N 442.516 0.743 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1796448271 JPLLWQMMJMWYFN-FAKDNFGVSA-N 429.502 0.758 30 20 ICED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797005729 PLQQAIOHPLXYCH-LHAOZIQJSA-N 439.520 0.713 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 1797274723 QAPAHJQNVFELQJ-ZJPYXAASSA-N 449.548 0.871 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323233 QPDKBMUTIFSENK-CLWJZODNSA-N 441.532 0.988 30 20 ICED CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)cc1C#N)C(=O)O 1800032066 KNQAMGCHXPSFAY-SFNKJDCFSA-N 428.489 0.810 30 20 ICED COc1ccc2c(c1)CC[C@H](CC(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C#CC(=O)O)C2 1800778391 RRSAGLOLXBBAOS-RUFNJRMLSA-N 440.496 0.868 30 20 ICED 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)OC)C1 1800963783 YSFZHSGFNWTJAN-HJDQXBSRSA-N 447.532 0.414 30 20 ICED 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 1800989624 MEAAWWFXKQKGGO-VJQRDGCPSA-N 443.566 0.265 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@@H]1c1cccnc1 1802500181 XGZNRYYQIAUTSX-WBBUDYLXSA-N 437.504 0.799 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2noc(C)n2)[C@H]1c1cccnc1 1804487108 LTZCTMPJTDBZAL-GUEKAFECSA-N 438.488 0.880 30 20 ICED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)c(O)n1 1805138119 ZJVLHWPSJXCJQG-QAPCUYQASA-N 426.473 0.931 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)[C@@H]1c1cccnc1)C(=O)O 1807206207 RGXJUVSVBQWYQT-ITQYTPKQSA-N 433.509 0.951 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1819773064 RZEVHSIBVVOERC-QMQIZMQQSA-N 447.521 0.125 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1823078414 JCHGBIXDJGTKNJ-GHMZBOCLSA-N 436.494 0.408 30 20 ICED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(=O)c1ccccc1 1825661348 QGMVYGPWHMTPNJ-AWEZNQCLSA-N 440.481 0.915 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828974581 RNIOXNCLSMIYON-ALQCXSEESA-N 433.513 0.822 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1831399509 VSLMMQVBCMCOMK-KSFYIVLOSA-N 427.457 0.936 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831486457 XRDWJBLTUXIYNA-KXBFYZLASA-N 426.539 0.765 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)c1 1831751075 ULAGSBAAYRXDRU-HXUWFJFHSA-N 443.485 0.802 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1833705083 FNQLQQJTGYVBOZ-QGZVFWFLSA-N 426.583 0.540 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CCO2)C1 1837286521 FYSNSSDKYBIGRU-KKXBDNRESA-N 436.553 0.584 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837478060 WOUUFVJRZUIKPE-VPWXQRGCSA-N 437.566 0.688 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1837881985 AMACZUBJJHMPOY-QGZVFWFLSA-N 430.509 0.091 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)c1 1838737577 ZYAIMSKXYMNPGK-QHCPKHFHSA-N 449.467 0.514 30 20 ICED Cc1c(Br)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1838768559 KAHBVNDQNLJDCA-QGZVFWFLSA-N 440.298 0.475 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1Cl 1839078865 JRNUSLAMQCCDRO-HZUJVAHNSA-N 448.907 0.004 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839303042 ZOQNCIGSOKCPIE-LXHZQTKUSA-N 447.463 0.460 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839498578 FEZHNMXEDDZJLH-CVDCTZTESA-N 442.516 0.977 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)CC1 1839623799 CFIDHCFLMMYFTP-HXUWFJFHSA-N 428.424 0.242 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839647512 JCMNCNMJPLKQFL-OTRAAIJSSA-N 447.532 0.181 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)CC)CCO3)C2)c(O)n1 1839828799 PYXYUGQFXKMZLT-QFIPXVFZSA-N 431.489 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(OC)c3)CCO2)C1 1840681049 JEZRSMOFAJIKMB-OPAMFIHVSA-N 434.464 0.943 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845766285 MBQPXDFLAWSWQU-INIZCTEOSA-N 445.520 0.916 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846979794 LGHZXWMRVUITTP-UHFFFAOYSA-N 446.529 0.566 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)c1 16557749 FAYUSLGVTYCOGH-UHFFFAOYSA-N 437.474 0.056 30 20 ICED N#CCSc1ccccc1NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436214863 CCMWEUJQSAWIJK-UHFFFAOYSA-N 429.502 0.534 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436594819 JBDNQGFZOHNZTK-HNNXBMFYSA-N 442.497 0.915 30 20 ICED N#CC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCOCC1 440716974 TZEGKZUUBNDYJT-UHFFFAOYSA-N 446.485 0.764 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCOC1 441942904 RFAXFTPDIBHGIK-GOSISDBHSA-N 441.553 0.911 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[C@H](C)C(=O)OC(C)(C)C 442335612 PAWVLEYNDYRUHL-CYBMUJFWSA-N 434.497 0.969 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 443467133 QZSVPGACCZJPJJ-UHFFFAOYSA-N 442.563 0.660 30 20 ICED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445184900 FCDWYATYRJLYKV-GOEBONIOSA-N 431.836 0.861 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 462096917 MFUTUYPVWFDASD-UHFFFAOYSA-N 429.506 1.526 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 464853375 CVVZEHUZHQGVMC-CQSZACIVSA-N 439.505 0.438 30 20 ICED C=CCn1c(O)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 470822912 MQZCRKBQRRVBEV-UHFFFAOYSA-N 428.474 0.636 30 20 ICED COC(=O)[C@@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472287819 OVDZDZNBZSBTDM-HNNXBMFYSA-N 429.433 0.329 30 20 ICED Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 479131343 OUOOHXRIDXRGBZ-CQSZACIVSA-N 431.561 0.646 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)nc1 480474465 BEDTVVSZGXSNED-IBGZPJMESA-N 432.484 0.914 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCCC(=O)OC 480949890 IJIRFLLCLARNQO-UHFFFAOYSA-N 447.538 0.738 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccsc2)c1=O 505631122 CKMGKXSDXJXKPP-UHFFFAOYSA-N 441.538 0.364 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccc(C(N)=O)cc2)c1=O 505684531 PYEWNZHEBFKWEQ-UHFFFAOYSA-N 435.509 0.768 30 20 ICED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 509001120 LXJDLMOCMVYOLP-UHFFFAOYSA-N 439.568 0.896 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3CS(=O)(=O)CCO3)c(C#N)c2N)cc1 511465069 QMSKPXFVGLCXNC-INIZCTEOSA-N 446.533 0.680 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 518399373 MVATUKVAKIUWDN-OAQYLSRUSA-N 425.533 0.920 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCc1ccccn1 525686979 KWDSMHMQZCQRTJ-UHFFFAOYSA-N 434.521 0.943 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 531802581 RUZXMKLDQIMEBH-CQSZACIVSA-N 433.472 0.933 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533515336 YKJYBWUYZYSYOD-HNNXBMFYSA-N 449.533 0.332 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546782578 GPYARNWZGUWVCQ-UHFFFAOYSA-N 427.482 0.792 30 20 ICED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 551126148 RUNBSGSYYNWKQF-HXUWFJFHSA-N 440.592 0.592 30 20 ICED Cn1c(=O)c(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc2ccccc21 556381173 JVCACPCCGFNVJD-UHFFFAOYSA-N 441.451 1.305 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 559843096 CPZXEMGJCCRXLP-UHFFFAOYSA-N 430.490 1.549 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 563923779 SKJLZBKYZVFBBI-UHFFFAOYSA-N 434.499 0.334 30 20 ICED CC(C)OC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 572753890 AATSGPSTRWINJI-RBUKOAKNSA-N 428.489 0.822 30 20 ICED C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 586850650 JZIMSKCNQUUZOO-QGZVFWFLSA-N 434.500 0.986 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 587640141 IRJRDQAKTBZKRF-INIZCTEOSA-N 442.520 0.134 30 20 ICED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 588327632 UEFVFQNTOGMUBD-UHFFFAOYSA-N 446.489 0.391 30 20 ICED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1 590774572 OGDCUVMMSDVDTO-UHFFFAOYSA-N 429.289 0.990 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613078644 YPUMUSLNPIVAAT-UHFFFAOYSA-N 445.497 0.440 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2Cl)c1=O 618639352 ZSTKBFXVAYOYFL-UHFFFAOYSA-N 441.962 0.927 30 20 ICED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 728571011 SZVXGANSABZYGQ-SFHVURJKSA-N 427.549 0.863 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)CNC2=O)cc1 731106401 WYPWVQFOKSBAQO-JCMHNJIXSA-N 436.494 0.563 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2F)C1=O 731720207 CRGXTYZZPKNJIY-UHFFFAOYSA-N 443.391 0.778 30 20 ICED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 731888540 VQLQKMGNKNOPSN-OGLOHFSISA-N 425.445 0.405 30 20 ICED C#CCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 733161249 OCZZTZSARYQSAU-FQEVSTJZSA-N 435.546 0.928 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735473045 LMOFEVSBLMBKSK-WBVHZDCISA-N 436.534 0.503 30 20 ICED COC[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 743928185 MFTMBVHWVJFIBZ-OTUOZYHDSA-N 438.506 0.312 30 20 ICED CC(C)(C)NC(=O)CN1CCC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 751055746 YMIBJLCUVNJJNM-UHFFFAOYSA-N 449.577 0.468 30 20 ICED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 752881011 LEOAYKIODLUWKU-UONOGXRCSA-N 449.533 0.763 30 20 ICED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 754937724 CCYBLFRJYPSJAI-UHFFFAOYSA-N 435.462 0.989 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 756909220 LWEDNKATGAMYMG-OAHLLOKOSA-N 440.508 0.535 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CCOC 757329394 HFDAZNYGMQRLFR-CQSZACIVSA-N 446.551 0.223 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(F)(F)F)s2)c1=O 763006537 HKUARFMKGKNFOQ-UHFFFAOYSA-N 448.473 0.566 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 784925145 RPQGTUCDQYPQQD-CALCHBBNSA-N 431.514 0.908 30 20 ICED CN(c1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cc1)S(C)(=O)=O 787777140 HYFNMIQMSHYPEV-UHFFFAOYSA-N 430.490 0.194 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)cc1 787787510 MEOXOAKNFBSGBV-HXUWFJFHSA-N 436.516 0.980 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 791353187 OSTFYVQMRQLKRU-UHFFFAOYSA-N 432.955 0.255 30 20 ICED C[C@H]1c2nncn2CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 792358639 SQHJHOIKCGGNPQ-LPCAMTDXSA-N 445.505 0.633 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794647248 MSPGRXKLQPNMEV-UHFFFAOYSA-N 429.505 0.842 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)ccc1F 808137009 NMJVPBKUSCCRPZ-KRWDZBQOSA-N 438.525 0.715 30 20 ICED C=C[C@H](O)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 814547416 ZISCILXJDICEPE-HNNXBMFYSA-N 429.395 0.878 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815262511 MCHNKCYKEKXPAW-HUUCEWRRSA-N 438.506 0.789 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 914850883 UDWQOGWNEYMPFJ-UHFFFAOYSA-N 428.474 0.570 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1116045370 UXNXRKHUZGZFIR-HNENSFHCSA-N 427.461 0.485 30 20 ICED C[C@H]1CN(c2cccc(CN(C)C(=O)Cn3cc(C#N)c(O)nc3=O)c2)S(=O)(=O)C1 1155870276 UTVDVBRJFRMMHZ-ZDUSSCGKSA-N 431.474 0.265 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1296998646 USDNAYHKFQVARF-GOSISDBHSA-N 444.488 0.620 30 20 ICED CCN1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1313875585 AOFFSWQTWHNRSO-WBVHZDCISA-N 439.586 0.739 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CC(O)(CC#N)C2)ccc1I 1321014201 MBBHGRMPUNVREZ-UHFFFAOYSA-N 436.227 0.727 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1531604680 ZVCDONDHGBNVEJ-UHFFFAOYSA-N 431.312 0.650 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)O 1708152887 JYSZNYPAPISTEL-OAHLLOKOSA-N 439.524 0.548 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1=O 1712486829 SSORKWOMHGSJQW-NRFANRHFSA-N 442.545 0.980 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)C2)C1 1778367981 APUCLLAICPYXLE-OAQYLSRUSA-N 444.492 0.106 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778786658 HRZAPKDXHVSNFR-LAUBAEHRSA-N 430.461 0.261 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1778970728 FAVHDKUMHRYGLT-OPAMFIHVSA-N 432.521 0.942 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100170 TXTSLRWSXDXZAQ-VWFYRTMBSA-N 433.509 0.878 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779962160 YQDKMPBKLDZDTM-OAQYLSRUSA-N 427.461 0.682 30 20 ICED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)c(=O)nc1O 1780701691 UCANIPYAEZFUKM-JOCHJYFZSA-N 437.456 0.273 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)c1 1783261611 FQZMHZLBYGUWGI-WZONZLPQSA-N 444.532 0.044 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5(O)CCCCC5)CCO4)C3)(C1)C2 1783442933 BYBRGKOURQULDQ-UBVWURDFSA-N 444.528 0.858 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)nc3)[C@H]2C1 1784757593 GPHAAASIURQMAL-BUULSBRISA-N 428.489 0.542 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1785016191 REVVZPGORJHVKS-XLAORIBOSA-N 442.534 0.380 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1785443647 ORHGVQWUAIQZJT-AUSIDOKSSA-N 433.549 0.820 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1785574705 OQZUTNALJIGROS-OPAMFIHVSA-N 437.537 0.894 30 20 ICED O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787015685 PRWVMBZXFBNRKA-LTADTEAASA-N 429.521 0.300 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509892 NSOYIANOSOLJDT-OPEYRRHPSA-N 433.530 0.978 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1787512180 XTQFQGIBFULSEE-SWSUPBTISA-N 442.497 0.864 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603551 MBXSCXKIDAGMMN-JDSVAZHKSA-N 438.525 0.999 30 20 ICED CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)CC1 1788652444 GMVRVTVJCICBCB-FCPXODBFSA-N 436.553 0.837 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1789894951 YDYQKAHRPVQVSG-BQFCYCMXSA-N 431.489 0.697 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc5c(c4)CCNCC5)[C@H]3C2)c1 1790619002 XDJDFNLRLJZFKT-JLMWRMLUSA-N 448.527 0.877 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072408 JPLBMVPUHYWIOE-MUGJNUQGSA-N 425.485 0.111 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC)[C@H]2C1 1791326215 IKWYBRBWEJLPPX-ATIWLJMLSA-N 437.537 0.918 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc1[N+](=O)[O-] 1792051120 RLOHSLXHRJYBPE-ZQIUZPCESA-N 431.401 0.285 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1793347805 IZKGQVDZUKNBJJ-YQCYQFKCSA-N 437.496 0.524 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793357717 YECKAVYSPKWBBH-OPOADAIRSA-N 442.516 0.521 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793366683 QPUYVGYTQPMIIB-XUMLPFHTSA-N 433.530 0.371 30 20 ICED CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)cc1 1795413171 UXRZSDJAQAOSHZ-XEMDLRDOSA-N 445.541 0.916 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)cc1 1795416423 PINFOIHRIJCVJP-XEMDLRDOSA-N 445.541 0.916 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1795602405 MKAMDGQFDUJNKT-RMFSNUHRSA-N 439.516 0.809 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)c2ccccn2)ccc1F 1795611563 CVYZTQNXAXHCKC-YVCBRDFCSA-N 437.475 0.924 30 20 ICED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782092 NOAHTFBLUFHXMD-LJDSDSDDSA-N 443.548 0.782 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC(c4ccccc4)=NN2)C3)c1 1798695121 UWUMAKNHIPOVBS-JWWGGVBKSA-N 432.484 0.856 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)cc(OC)c1 1798895263 PAOCTMLCNMRNPT-GWUNTCDZSA-N 443.500 0.765 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12)n1cncn1 1799886101 JDKSHWWLZDEICA-FRQROOTJSA-N 434.460 0.490 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1800325475 CMXDNDWHUBDYIR-LJCCNALRSA-N 442.516 0.625 30 20 ICED C#CC(=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 1800452278 VLGSJOZAFJYGTN-LVEJAMMSSA-N 435.521 0.529 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)ccc1F 1801262599 MSSAQERLWQTPCU-UPHUGPLXSA-N 426.452 0.511 30 20 ICED Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801308438 JOXKYZKUZPSEOC-OPVJXMOQSA-N 430.553 0.843 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1801990266 UBXFCRRIJZIDCB-IYWMVGAKSA-N 425.485 0.614 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802040770 PZLQITFQZWKREN-NZGUISNBSA-N 430.480 0.766 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1802685092 SAYFHMRLWFLIGO-HKUYNNGSSA-N 447.561 0.368 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807144508 ZSULFIWQSXDFBG-SUMDDJOVSA-N 428.537 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810246187 UIEQVEFJWFEJDA-JTDSTZFVSA-N 443.504 0.212 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810490300 USXZUOSYRPVHNX-HNNXBMFYSA-N 433.538 0.612 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817359323 HTWAOPCDGKKDJR-HIFRSBDPSA-N 432.529 0.276 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477453 AKHFMPRQOZVSQO-XUYYYJLXSA-N 429.481 0.707 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829490298 XBRHJONFTBLCIV-QEVIJRNUSA-N 448.907 0.663 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C1(O)CCC1 1829733434 NZRJPAZGZFDCQZ-LAUBAEHRSA-N 436.553 0.276 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1OC 1831217877 CHDSEJBBKBHOFN-JOCHJYFZSA-N 429.473 0.582 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCN(C)C3)CC2)CC1 1833075464 OOTMWVJQIMYCCV-RURPWVQCSA-N 445.608 0.758 30 20 ICED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1833146323 YGFNACNSQKZULS-UHFFFAOYSA-N 440.548 0.933 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833173660 PBQPJRQDETZKPU-IERDGZPVSA-N 435.908 0.772 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833439095 JGXDKKFELFHYBN-UHFFFAOYSA-N 432.565 0.393 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834857841 WTELECWWWPYTFG-QFIPXVFZSA-N 429.473 0.776 30 20 ICED Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835731426 LZWIHNJKFIUZQQ-PXLXIMEGSA-N 430.557 0.770 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836076316 GFGYFECUDVCDHW-GOSISDBHSA-N 426.564 0.765 30 20 ICED COc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1OC 1836209475 ATURQQHUOKAZAB-UHFFFAOYSA-N 444.488 0.372 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836966577 DYCXAADWSFSLKK-PXNSSMCTSA-N 438.550 0.690 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837140141 QTRHZYYPQHWZJD-QHCPKHFHSA-N 439.468 0.695 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837401259 XBRKPCAYSAOTMP-LLGFUMIMSA-N 425.526 0.817 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(OCC)OCC)C2)C1 1837402088 CSDNWOPOIPAKRS-HTAPYJJXSA-N 442.553 0.805 30 20 ICED CC(C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487173 ZEDSEPZFJVGERO-QHCPKHFHSA-N 436.549 0.957 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1838834662 QJJVUKMOSJNOET-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839036426 BZFLLJNGYOAJBJ-AOMKIAJQSA-N 446.479 0.704 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839036829 PQTHRZYULJCGBH-QVKFZJNVSA-N 432.452 0.314 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839225731 RZSMMSQXGMLCEZ-KSFYIVLOSA-N 447.536 0.780 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419327 WFTCWUFKVIARFC-DENIHFKCSA-N 446.479 0.682 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487461 JPVUNBDMZPTAKF-QFIPXVFZSA-N 449.471 0.552 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839890441 BCZLHVJNZKUTDL-LJQANCHMSA-N 425.432 0.876 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781723 JAXUVSWFRPDSPU-OPAMFIHVSA-N 436.480 0.979 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)cc1C#N 1841962054 AKXSTROSWGUSCU-MRXNPFEDSA-N 439.472 0.761 30 20 ICED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)ccc1F 1845202515 FHGCBIFJIQTTIY-UHFFFAOYSA-N 436.447 0.697 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197066 OYNDQZACVSQBSQ-NYHFZMIOSA-N 431.489 0.925 30 20 ICED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1846257119 GGQVSBMDPPQWHI-UHFFFAOYSA-N 434.493 0.400 30 20 ICED Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c2noc(C)c12 110459042 OIQHOQZDYGOCPF-UHFFFAOYSA-N 428.474 0.837 30 20 ICED Cc1ccc(-n2nc(CCCNS(=O)(=O)N3CCO[C@H](C#N)C3)c(C#N)c2N)cc1 409560875 HVAHLXFTCFVIKZ-MRXNPFEDSA-N 429.506 0.626 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 410127136 JEALGNXHDVRFKA-OAHLLOKOSA-N 426.495 0.007 30 20 ICED Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)NCC#N 440671868 LHLFPOWYWOIEGC-HOTGVXAUSA-N 425.532 0.979 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3C#N)CC2)cn1 443232411 CNGTZQHMLMWTGI-UHFFFAOYSA-N 427.483 0.562 30 20 ICED CCN(C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H](C)CS(=O)(=O)CC 460595497 ZVBNDEPLCBAWGP-AWEZNQCLSA-N 432.506 1.058 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)nn1 476943210 NYLKOFGCHFTKLU-IBGZPJMESA-N 448.483 0.975 30 20 ICED N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 477053639 CACYGCYFOLMNPI-UHFFFAOYSA-N 431.430 0.773 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccsc2)c1=O 479375917 HBGYIWLZDJVLHE-UHFFFAOYSA-N 429.527 0.443 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)cs1 480942445 ZLGZCYDNZFYQMX-UHFFFAOYSA-N 445.526 0.231 30 20 ICED CCN(C1CN(S(=O)(=O)c2cccnc2C#N)C1)S(=O)(=O)c1cccnc1C#N 480991430 SHKITHBVHNWSEC-UHFFFAOYSA-N 432.487 0.304 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 482493755 ALKMXDPSAHOVJE-JTSKRJEESA-N 442.541 0.978 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 484720805 OOIUIWMPTKSIEL-MUZJZNNISA-N 426.583 0.931 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486629401 NODPKZHKSXLPEX-GOSISDBHSA-N 448.526 0.546 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n(C)c1=O 487444406 IEHCMZQTIYIARH-UHFFFAOYSA-N 435.469 0.991 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2=O)cc1 488634069 SSIYFCQJLUJNLY-SFHVURJKSA-N 435.440 0.278 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCSCC2)cc1 491492957 KRPFTPNIQBLTQE-UHFFFAOYSA-N 426.564 0.597 30 20 ICED N#CCC1(O)CN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 506360350 BSIDTDDVMIAYIT-UHFFFAOYSA-N 430.280 0.289 30 20 ICED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 508845059 MJPIOYGCAWYUCF-AWEZNQCLSA-N 433.538 0.684 30 20 ICED CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510172493 LCTUYDNTGMETMO-PBHICJAKSA-N 442.563 0.355 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCCCC#N 510332813 TUHOFFYKUQEANK-UHFFFAOYSA-N 437.522 0.380 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 511324384 OXCQHMKZOLQLRD-OAQYLSRUSA-N 435.594 0.985 30 20 ICED CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 511883124 AYFIXNRWTMMSMO-IAGOWNOFSA-N 436.486 0.959 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 519881362 OWRAVPGNWNZYDV-HNNXBMFYSA-N 430.548 0.955 30 20 ICED Cc1nn(C)c(C)c1CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 524542647 BVLYPCRCAYCOMK-UHFFFAOYSA-N 444.561 0.874 30 20 ICED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 543817290 YNZPCLAWMBLFIA-SNVBAGLBSA-N 436.303 0.896 30 20 ICED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2sccc2C1 551016756 SHCPJWJHQDKXLB-ZDUSSCGKSA-N 429.550 0.879 30 20 ICED CCC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 558052843 FVHBGXMLNRGJLK-GOSISDBHSA-N 425.489 0.641 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 575167254 WYDFBKSHCDTPOB-KRWDZBQOSA-N 438.492 0.136 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 587658444 ABMBOSYKNLPMNK-IAGOWNOFSA-N 428.537 0.654 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609128657 MHICDHREMKREFR-INIZCTEOSA-N 440.460 0.582 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)CC1 609740250 GNTRJVILSAIUDY-UHFFFAOYSA-N 434.543 0.973 30 20 ICED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 610598831 LRHWUYSBPXXCCM-IFXJQAMLSA-N 433.490 0.329 30 20 ICED COc1cc(N2C[C@@H](C(=O)OCCn3ncc(C#N)c3N)CC2=O)cc(OC)c1OC 731772922 COTLTVQOEJFILD-LBPRGKRZSA-N 429.433 0.959 30 20 ICED COC[C@H](C)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733714608 UOADJAODWRJDGA-ZDUSSCGKSA-N 429.520 0.440 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2SC)c(=O)n1CCOC 741238774 MTKUWPZUHGLJQB-UHFFFAOYSA-N 449.554 0.544 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 748126195 MYANUMSHBYNOLE-JSGCOSHPSA-N 445.881 0.019 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 755549547 HICQSBUYGYSZBR-ZFWWWQNUSA-N 445.476 0.755 30 20 ICED Cn1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(Br)c1=O 755626343 HISHDPNRKIEIDO-UHFFFAOYSA-N 425.264 0.825 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758120989 XKSANFXZDHPTQA-KRWDZBQOSA-N 441.557 0.774 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 761035618 BLXGPBUASNMNAD-UHFFFAOYSA-N 447.605 0.161 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934735 CTAAJTIEXHNDLO-WTOJCKNJSA-N 438.506 0.438 30 20 ICED C[C@H](CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 764409640 ZJPGZFVWNVPEPI-GFCCVEGCSA-N 433.490 0.047 30 20 ICED COC(=O)[C@@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(C#N)c1 789120831 XNUUDQDSPCHRQI-YWZLYKJASA-N 429.429 0.931 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 793203040 FXTVRAYRBPYNQS-WHWKNOJMSA-N 430.486 0.539 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 798289923 SYJJVTXITQVVMB-UHFFFAOYSA-N 443.489 0.761 30 20 ICED C=CCN1CC[C@@H](OC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 798560019 IXTKJLORBQVIIK-QGZVFWFLSA-N 437.518 0.777 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 802577699 PPBPQCVHOMLGQA-UHFFFAOYSA-N 449.577 0.499 30 20 ICED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)CC2)c1 886207608 HKMOPWYXJHNNFR-UHFFFAOYSA-N 429.458 0.279 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)cc1 918261682 RPUYNUPISOMMLE-AKKXKAEUSA-N 434.474 0.881 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)o2)c1 918616475 OAEJCGMRCRVZMU-XMHGGMMESA-N 426.476 0.992 30 20 ICED C=CCNC(=O)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1205156889 JMTKCVFAZCJYNO-PKFZQDLRSA-N 425.529 0.786 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1286536986 UYGRDSBTRBNDAF-QWHCGFSZSA-N 449.375 0.318 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1292134386 SPJHNMVFPDXFAX-MJGOQNOKSA-N 446.600 0.951 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)CCOC1 1502682303 YMJBQYRQANPCLR-ROUUACIJSA-N 444.533 0.700 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1510113190 RAXNYOGREGRTEH-HKUYNNGSSA-N 444.584 0.561 30 20 ICED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539575245 ZFTXQYBBSDJDJV-GFCCVEGCSA-N 426.319 0.881 30 20 ICED Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cn1 1693102301 NLUZLOVCFONWDK-SJORKVTESA-N 447.521 0.092 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC(=O)N1C 1743254902 PBMQGGRTPFBLCL-HNNXBMFYSA-N 443.533 0.519 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccccc1=O 1779269298 CWXLMBFYSUIMQV-KMQUJCGJSA-N 426.473 0.951 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1)n1cnnn1 1779429526 VKXDMQJCAOCMHF-KHEABUANSA-N 449.512 0.277 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311869 PUWFAVJKKITELW-VHKYSDTDSA-N 443.566 0.818 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1781785772 QCJVBVFKADQQEJ-QHCPKHFHSA-N 426.517 0.918 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054250 CRJNFKWIPMABNO-YDSTWLSQSA-N 447.532 0.864 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCN2C(=O)C=CC2=O)C3)CCC1 1783123423 FFWUAGOQBHDUTC-OPAMFIHVSA-N 428.489 0.509 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21 1784479972 ONNOPJFOFHQWFD-LGYWMIHWSA-N 437.500 0.899 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21 1784482899 ISSRUDKIGFCWMA-GTAWCEEGSA-N 434.533 0.938 30 20 ICED Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)nc2s1 1784849739 SXSNFJCZRMHWQI-BPUTZDHNSA-N 428.518 0.925 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382139 TYPVHZFCUCQGFH-VXKWHMMOSA-N 445.472 0.383 30 20 ICED O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1787091357 MHKIAKWFLQSBFB-NKCWYTJXSA-N 430.490 0.153 30 20 ICED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C/C(=O)c4cccs4)[C@H]3C2)n1 1787510683 RAZXUKCUKONJGL-ZKORBPAESA-N 429.502 0.909 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)[nH]4)C[C@@H]32)c1 1789258619 LBYABEDBYQEPDV-OWQGQXMQSA-N 425.445 0.903 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789805191 BHASKLDNCZRRLI-FYQPLNBISA-N 434.581 0.337 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(NC(=O)C4CC4)cc3)[C@H]2C1 1789992142 ZOORNKKAGMAHRW-WDSOQIARSA-N 439.468 0.716 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833437 QCCYOIWEHJWFEC-IIZPIQPGSA-N 442.516 0.232 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1792923015 MDJGPMQCDGCQML-VTYHHJSWSA-N 432.565 0.509 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795414746 KIZDIUHTHTZSLX-JWVYWZTKSA-N 448.541 0.261 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC=O)cc1C#N 1799295895 STUYNTASQXOVLR-XUMLPFHTSA-N 428.489 0.683 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800154890 NUKICSQRIXTZKH-ZZEDZQHJSA-N 440.544 0.915 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)ccc1F 1800391676 GLQXJEJNNUPUGK-YNVMFWSZSA-N 449.504 0.407 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1801762316 FYRWSXLDJGEFMT-YJTOSLPHSA-N 427.505 0.110 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)CC1 1806617043 QABPIHWJIXMRKU-VURMDHGXSA-N 429.521 0.684 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807354592 JQNKRFOSSPWJCR-ALKREAHSSA-N 449.471 0.171 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810391564 GHMSLNGOWYCSCX-QKORFTMESA-N 440.504 0.392 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883166 VLUBNBGGCKLXFX-XWFZLUIHSA-N 448.479 0.994 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948579 WOWUDPRNADMJLO-WOJBJXKFSA-N 446.592 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)CC1 1829111350 PFBVDKCDDHMBIX-NNKPGIQBSA-N 448.564 0.616 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1830211686 NGSFNMQGRPEKHJ-FYYLOGMGSA-N 428.485 0.598 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456530 LDGDVFFDMVUYAN-SBUREZEXSA-N 442.516 0.459 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc5ccccn45)CCO3)C2)c1 1830664067 ZBAIJXTVQDHRTD-HSZRJFAPSA-N 448.483 0.847 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831340609 YKIAJFSWQLGYMC-FQEVSTJZSA-N 435.502 0.063 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831486292 BCBOKULSOIBFGX-FXAWDEMLSA-N 433.534 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)(C)C)CCO2)C1 1832315982 SIBMRQAMJKZFTJ-OAQYLSRUSA-N 426.510 0.767 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3snnc3C)CC2)CC1 1833075135 WLYMIXFISDIRPK-PLNGDYQASA-N 446.577 0.890 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833289542 ZMEURQVLWRBLCI-FQEVSTJZSA-N 433.597 0.919 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833554083 JDXFPOJXUHTELK-UHFFFAOYSA-N 443.552 0.649 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833869748 QOWPRWRPJLGITC-QFIPXVFZSA-N 433.505 0.438 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccn(CCOC)n3)CC2)CC1 1835184489 CFFFMAXLWAUWDJ-SFHVURJKSA-N 445.564 0.753 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835351945 GMTMOHLOWCMPBJ-KKSFZXQISA-N 438.525 0.907 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835398687 QAGXJQFQEYYCJY-QHCPKHFHSA-N 442.516 0.269 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1C[C@H]2C[C@H]2C1 1835677863 PBMHEPWYKYWKCC-CROMWVBPSA-N 447.580 0.065 30 20 ICED Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)CC3)CC2)n1 1837382264 YSIKRDACGKKWLV-IXOWOOARSA-N 448.524 0.956 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(=O)O 1837495807 BVTUGYYLEMEYJL-DAKPFUFHSA-N 434.489 0.172 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837524665 LIPSWXJHXJYWQO-UZWDYZERSA-N 432.477 0.681 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)CN4CCNC4=N)CC3)CC2)c1 1837861663 IFUCTFCHGOJAIH-UHFFFAOYSA-N 427.509 0.339 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837880874 HGUJZOITGFBJQX-JOCHJYFZSA-N 437.456 0.497 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1838492370 LGCZATOXOBOORT-FQEVSTJZSA-N 426.433 0.424 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccc1O 1838739539 XQLNXIDLBCXIDG-JOCHJYFZSA-N 440.456 0.984 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)c1ccccc1 1839163225 FOOCDUMWTFVGIR-NHCICSSKSA-N 441.528 0.775 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1839174584 KZRYLSKRDBQQCN-JOCHJYFZSA-N 449.479 0.729 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839174636 ORPWSHUAPWUIEJ-IBGZPJMESA-N 438.506 0.305 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839223539 YXARUWJIUAYKLY-IERDGZPVSA-N 440.541 0.406 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839888168 AQSNBAKZNFZVBZ-GOSISDBHSA-N 428.436 0.262 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839888715 FBFCSSGUQNKPTI-IBGZPJMESA-N 442.463 0.811 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)(C1)C2 1840006199 TXBVYBLJQDHFKE-LZBANZJXSA-N 442.472 0.300 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(F)ccc3OC)CCO2)C1 1840248509 KTYGGWRRQMLXJF-HXOBKFHXSA-N 448.491 0.872 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)c1 1840714503 WKUCNKHPYYEHPS-KKSFZXQISA-N 439.476 0.070 30 20 ICED COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818153 NLYSGWVPWCFFHU-JOCHJYFZSA-N 431.489 0.820 30 20 ICED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 110358341 XVGWGZUULCPJTD-UHFFFAOYSA-N 449.529 0.733 30 20 ICED CC(C)CN1C[C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 427805565 OWYVUUAPQDJYIB-DOTOQJQBSA-N 433.534 0.829 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 439534518 NNBPKZQHGIPPSH-UHFFFAOYSA-N 447.455 1.394 30 20 ICED N#Cc1cccc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 440130523 LYALPHGIMCLPRI-UHFFFAOYSA-N 442.497 0.877 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 440398598 LQRRHRAHFDTQEU-UHFFFAOYSA-N 449.492 0.391 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 441663529 DAPVLAXPKBGVCX-UHFFFAOYSA-N 442.453 0.457 30 20 ICED CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CCN(S(C)(=O)=O)CC1 441943690 HEMUYJUTGKVANM-UHFFFAOYSA-N 448.480 0.704 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2sc(O)nc2C)c1 442371293 QSPKLXCAWNUDAR-UHFFFAOYSA-N 440.503 0.755 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 446531445 OZMYLTUAKNFDKS-UHFFFAOYSA-N 443.504 0.172 30 20 ICED CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465427142 XVVOCDUUAGBKTK-CQSZACIVSA-N 446.475 0.697 30 20 ICED COCCO[C@H]1C[C@H](CO)CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 470419762 SLVBVSXZYFADOE-IRXDYDNUSA-N 425.507 0.051 30 20 ICED COc1ncc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1C(N)=O 475149435 HJRGCRQFUYQQAD-UHFFFAOYSA-N 426.408 0.487 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1C 475390601 WGMWVXYQGMUUNI-SJLPKXTDSA-N 448.545 0.522 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)nc1 480474493 BEDTVVSZGXSNED-LJQANCHMSA-N 432.484 0.914 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 480932474 HEWLJZXUZKBZRB-UHFFFAOYSA-N 425.495 0.909 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C1CCN(C)CC1 480938732 QTMKHMJKSLUGOP-UHFFFAOYSA-N 444.557 0.945 30 20 ICED C[C@H](CO)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CCC1 483139821 PCUNBYFGBYIYMW-QGZVFWFLSA-N 434.562 0.874 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@]2(C#N)CCOC2)c1OC 484319370 ZTSQWEFTRFENSO-SFHVURJKSA-N 425.463 0.137 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 497792555 GHCKILAIJRHPFD-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 508902965 MSVJTVLUCAMLJQ-LJQANCHMSA-N 442.520 0.861 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1O 509072519 VOCDHJTXNKWNKC-NSHDSACASA-N 438.487 0.477 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 509128440 SIVUVHNLSFKTQZ-OAHLLOKOSA-N 429.564 0.895 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnnn1-c1ccccc1 513319024 JQQUEFDUHDWCNY-AWEZNQCLSA-N 425.474 0.560 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 523667794 IYCJPATZRQGMTA-ZDUSSCGKSA-N 448.423 0.978 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)CN1CCOCC1 542074180 YXGWUTPODRGDPC-FQEVSTJZSA-N 446.895 0.535 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 545313618 MHGUIZORNJZFNQ-UHFFFAOYSA-N 444.582 0.782 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2nn(CC)c3ccccc23)c1=O 547433578 QJXWNFAFWBSLNA-UHFFFAOYSA-N 425.514 0.565 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1=O 551054645 FGAARJIHQQUXFX-WOJBJXKFSA-N 428.533 0.730 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cc3ccccc3s2)n(CC(N)=O)c1=O 555788593 XYGLUOYUCSSKCF-UHFFFAOYSA-N 449.517 0.729 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)C1=O 556181482 VCPAUBKBWUYJCW-OAQYLSRUSA-N 441.576 0.869 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 562594090 IDEQNWMDZUPNAS-UHFFFAOYSA-N 444.879 1.409 30 20 ICED CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1(C)C 571576525 DHMPJOGONZZGND-SFHVURJKSA-N 444.555 0.925 30 20 ICED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576735057 JTHVAMCUUDSVAJ-MSOLQXFVSA-N 425.489 0.245 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 583157749 BINKCRTZAUPDEQ-HNNXBMFYSA-N 443.485 0.788 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccccc1-n1ncc(C#N)c1N 588834686 ATVTVEDCFWSXAH-HXUWFJFHSA-N 437.460 0.880 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603795010 IZFCEGWYHSABNW-UHFFFAOYSA-N 445.516 0.837 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CC(C)C 603989156 SMXRANDLYMUXAB-UHFFFAOYSA-N 443.525 0.603 30 20 ICED C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 744616544 FGCICNKYYKDINQ-CYBMUJFWSA-N 431.474 0.608 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746364497 RERZZEGYXZLAET-CQSZACIVSA-N 427.440 0.656 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)c1 749694867 XFJBAIGIMVSHGZ-KDCJFMNISA-N 435.550 0.991 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 757586177 CLMIKEVXURTFSQ-JSGCOSHPSA-N 433.490 0.600 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CCOCC2)n1 767956322 RGLFTGKQERVKBF-UHFFFAOYSA-N 429.502 0.981 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cncnc2N)c1 774446815 LJHFVWGRCCSTNS-BUVRLJJBSA-N 431.478 0.127 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)C(=O)C1 781602356 SHSVJOSTUOKHFJ-UHFFFAOYSA-N 440.453 0.582 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2nnnn2C2CC2)cc1 792470443 WHFNZYJLNMZWOF-LBPRGKRZSA-N 433.494 0.630 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 794583183 XNNZJZUOZPICIM-OAHLLOKOSA-N 443.481 0.963 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)C1=O 798560415 HVBUIAPHXRRSPA-UONOGXRCSA-N 447.307 0.418 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1=O 861829879 VEPNOSRMNVJLCQ-NRFANRHFSA-N 444.492 0.948 30 20 ICED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCN1CCOCC1 915926487 SZGIIXYMOMGCKH-ZDUSSCGKSA-N 449.002 0.335 30 20 ICED C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918271674 ZXUCHKUBHWVUHS-RYPAHKROSA-N 432.506 0.839 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)c1 918615821 BORGJAZFXISDAX-CAPFRKAQSA-N 443.551 0.353 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920684640 RCNYMJDODFGKRE-BJIFSAINSA-N 428.445 0.345 30 20 ICED O=S1(=O)CCCN1[C@H]1CCCN(/C(=N/CCc2ccccc2)NCCn2cncn2)C1 1262555363 PYQZKFFIXYLEEB-FQEVSTJZSA-N 445.593 0.966 30 20 ICED CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294900279 QMRSBERWGBHNNY-INIZCTEOSA-N 437.508 0.349 30 20 ICED CCS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1314559498 ZKQDQJJSGXSLIW-KRWDZBQOSA-N 443.533 0.949 30 20 ICED Cn1nc2c(cc1=O)CN(c1ccc(C#N)c(N3CCc4nn(C)c(=O)cc4C3)n1)CC2 1322013199 JVCCJJROKSXZQN-UHFFFAOYSA-N 430.472 0.266 30 20 ICED N#C[C@@H](C(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)N1CCS(=O)(=O)CC1 1343333560 DFPSVYZGXUJTDN-SFHVURJKSA-N 447.513 0.270 30 20 ICED COCCN(C)CCN1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1=O 1468669864 LPZMXOKIHFDFCM-QGZVFWFLSA-N 425.493 0.235 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1C 1492274020 SAATWJCJKZAXFG-XMSQKQJNSA-N 439.520 0.943 30 20 ICED COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1518714355 PEAXSAZELDOAEN-KRWDZBQOSA-N 442.524 0.671 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1541106657 ZWSOHDFSWSJOHK-CHWSQXEVSA-N 432.572 0.309 30 20 ICED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1615857451 LRDIFOGIULKBGJ-KKSFZXQISA-N 444.561 0.897 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1622133049 JMNRVWZQSKWEQP-YUTCNCBUSA-N 426.461 0.871 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)C2=O)cc1 1626695004 MPOOXGHKHPSUIY-UXHICEINSA-N 438.459 0.634 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1627090921 LTBAZCLKNSAEAT-RDTXWAMCSA-N 433.534 0.036 30 20 ICED CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1695963753 QWVBOOKTZUBKLD-UHFFFAOYSA-N 447.521 0.644 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1729691355 XZUROBCQTVBDPI-GOSISDBHSA-N 436.476 0.462 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1731182367 SVEFWEAZIJBAMS-HNNXBMFYSA-N 428.518 0.953 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1748299767 OWTAHKJANYSYCA-CQSZACIVSA-N 436.494 0.144 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)c(OC)c1 1748669972 OWYXFBKQYAKDNG-IERDGZPVSA-N 428.493 0.758 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779019411 OVJNCGCEFHQTJA-MBPBHBQCSA-N 445.564 0.689 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099094 ALIUDLLOAOOURM-MXZSFLGVSA-N 438.525 0.508 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1)C2 1779557912 OHHDOLRZKVOWBO-TXTKFYIRSA-N 442.516 0.837 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn2[nH]cnc(=O)c12 1780015829 CZIOSOADFWIJIG-OXQOHEQNSA-N 433.534 0.729 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1780803197 ZZVISRMGJFLWOV-GSHUGGBRSA-N 448.520 0.616 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc(C)s3)C[C@@H]21 1783533330 VXITZDRSJDFSDA-GFXHUTCISA-N 432.546 0.832 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783661882 QCSUPFJJNWILFR-HXUWFJFHSA-N 430.567 0.805 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1783890408 YNFRGMBMADXHQS-ODEMNLNRSA-N 435.546 0.314 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1784501474 LJZQSAUJTCBOAE-DWRORGKVSA-N 432.521 0.705 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785146592 DLOWZNRDIIYHMR-WDSOQIARSA-N 431.489 0.950 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725572 OWJOACBOMVXZRL-BXTJHSDWSA-N 443.566 0.771 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786843701 HQAFMUWCZMMNLV-ZVZYQTTQSA-N 428.468 0.131 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1788570244 PFLLDBUPMCHMMD-CPLUKWAASA-N 441.532 0.984 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788614561 NIBLYCZKIHOVAP-GEYUMRBSSA-N 435.550 0.162 30 20 ICED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788726449 YLRQJRAVCRSCLH-QBXHNJCQSA-N 448.524 0.423 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788771429 CAXHOEQYPGBFEC-VJANTYMQSA-N 425.526 0.100 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790745193 PLQORCQGAUNOBZ-XSLAGTTESA-N 428.551 0.526 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21)C(F)(F)F 1790880100 GTQVJYYJKNFXOD-JYJNAYRXSA-N 440.422 0.910 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1793313511 SUIFGTMRZRUEOH-NKGKWGDASA-N 434.518 0.089 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(C(=O)OC)cc1)C2 1793350087 YWZAJMZDXHLWGD-LAVAIGHBSA-N 444.484 0.480 30 20 ICED C=CCO[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 1793354612 FCAODPKXNAGUAG-ZURLZEQWSA-N 446.504 0.173 30 20 ICED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1794249698 LHSNWPMOBNLWMH-MUJYYYPQSA-N 440.504 0.038 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c1 1794368515 RCNCFHPDICKQDH-HGKCTWBKSA-N 435.440 0.872 30 20 ICED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCCC#C[Si](C)(C)C)C3)CC1 1797236876 ZZZITXWGUHHYIE-JHDGKUDLSA-N 448.684 0.875 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1797811313 KVCUTOZGPGQPHS-MSHIPTOESA-N 431.493 0.528 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)n1cccc1C=O 1797811411 MQEDKITVQBSSKB-BBMDWEMQSA-N 446.504 0.980 30 20 ICED O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797886964 MCXQKNSIRUYHHY-RCYRTTBSSA-N 425.445 0.322 30 20 ICED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)ccn1 1798694139 GZHUIWXUIPNGGU-HGKCTWBKSA-N 437.456 0.975 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CCOC1 1799333814 HLISZYBRLWXYBK-ICDONNSOSA-N 436.509 0.564 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1800025286 DVEUMAJOWBQORQ-YYIAUSFCSA-N 448.568 0.804 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1800187770 NUIPJHHIXHCLNB-CWPLJXCYSA-N 445.545 0.011 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1801164495 WOJRMYPGVPVFSD-CWPLJXCYSA-N 433.530 0.882 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCc3ncc[nH]3)c2c1 1801213683 FHOMMXOHBBDNBC-YVWYUNDQSA-N 433.472 0.994 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c(O)n1 1801732503 ISZRXIPJBHARPY-REPLKXPHSA-N 446.548 0.444 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)cc1C#N 1801846766 YAAVHXIKDJWGLD-NBMJBFSESA-N 442.472 0.657 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802116051 XVZPRECTRPVETO-ROPHOZQPSA-N 429.517 0.906 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1803444879 DVOQVPUORFHBAG-LAUBAEHRSA-N 432.484 0.755 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807142786 GDSSYAQWNSLGCW-MJGOQNOKSA-N 443.552 0.640 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CCC1 1807360133 OHKJTSDDDOHOCL-CRAIPNDOSA-N 446.471 0.826 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)[C@H]2c2cccnc2)c1 1811532741 KOOYMFIGDMHONS-VGSWGCGISA-N 446.467 0.916 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2)C(=O)O 1829638273 WTOXVIPPGXWZSR-ZDALTALBSA-N 441.484 0.978 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccc(OC)cc3)CCO2)C1 1830210758 KKTIVBVRMLVKKE-DHJUGAMNSA-N 448.516 0.776 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3OC)C2)C1 1831396571 FSMGGTZWOAXNJS-UZUQRXQVSA-N 446.500 0.812 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1831396963 MYCPSKRMJICMSJ-AOMKIAJQSA-N 447.488 0.207 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831481642 GDCNPTAHVWFZOQ-ICSRJNTNSA-N 429.627 0.847 30 20 ICED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831831769 DVPHMBBZCAXFRZ-SGCYSOCQSA-N 429.521 0.932 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022567 BYXZFCZKKNEYHM-JPYJTQIMSA-N 445.516 0.526 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@](C)(O)C(F)(F)F)CC2)CC1 1833638931 LEFBYSYJZWOCFL-KUHUBIRLSA-N 433.471 0.910 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n[nH]1 1833821843 QQRIEKWISJUUTI-QHCPKHFHSA-N 436.468 0.734 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 1834275403 HDDNJLFYGKHVAV-SFHVURJKSA-N 441.362 0.258 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1835768259 VIOPJISYLKJFOQ-MNQDVBFDSA-N 447.540 0.379 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1 1835840300 KLRFUPMJOSHRFP-RBUKOAKNSA-N 442.626 0.664 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393528 RHNYHDQMYJHVIX-OXJNMPFZSA-N 433.534 0.754 30 20 ICED CC(=O)N[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)(C)C 1836802377 URZZBGIKKJBSDX-FQEVSTJZSA-N 435.521 0.624 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164253 AFTSYVUWFLOFCO-XLIONFOSSA-N 433.534 0.754 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)C 1837222884 RTWHHMIILOJMBH-IATMPQAYSA-N 449.504 0.743 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1 1838350383 PTOLQCBOVPBUHZ-QFIPXVFZSA-N 437.456 0.741 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)c1 1838739879 AIZMFYPWQAZXQT-REWPJTCUSA-N 438.484 0.560 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1839174364 XMFPHMOVRJPESE-NRFANRHFSA-N 435.452 0.800 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839227484 SAEXEWAZLGCYID-SFRQHRMHSA-N 437.541 0.715 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840199960 QKLWHKSQGIFAPE-OXJNMPFZSA-N 444.550 0.066 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)c1 1840410517 JEEYDVLXYFSSEI-QFIPXVFZSA-N 437.456 0.497 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)c1ccccn1)CCO2 1840498901 GNKQQHBNZPFCFR-QDFBPKLPSA-N 442.516 0.500 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841298279 CXCBLMHZQWGLBM-DXRSZSRVSA-N 437.541 0.547 30 20 ICED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)NC(=O)OC(C)(C)C 1845067378 NSPWKEPRURELRG-ULQDDVLXSA-N 436.553 0.772 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1847802617 GNDXJFHEDBJSCR-FPSMNIFISA-N 435.521 0.597 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1847806171 RPCKKLOVBVSNDP-XLAORIBOSA-N 435.521 0.862 30 20 ICED CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 17124545 KVWJILKANGHLQT-UHFFFAOYSA-N 435.550 0.685 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 110255178 AQIGKALIIGYGOY-QGZVFWFLSA-N 449.529 0.472 30 20 ICED COc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N[C@H]1CCOC1 430362383 WJCZHCMWVZLYNY-AWEZNQCLSA-N 436.490 0.511 30 20 ICED CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CCN(c2ccccc2)C1=O 439642151 GBTFGEZZKDTMQH-LJQANCHMSA-N 443.467 1.400 30 20 ICED Cc1ccncc1N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 440225239 LMDLKHWYAIOEGL-UHFFFAOYSA-N 430.472 1.438 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 442504043 FAOINCKNDIVWGV-UHFFFAOYSA-N 437.460 0.213 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 460391024 UIXQMKUZPHAHOS-PMPSAXMXSA-N 442.586 0.832 30 20 ICED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)c1C#N 461186073 GHQWXYNVSHHKBD-UHFFFAOYSA-N 445.530 0.827 30 20 ICED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468451528 RWRFKWQAWCYTAU-UHFFFAOYSA-N 429.452 1.034 30 20 ICED CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 474427593 QYGQUUHOHBFGRG-UHFFFAOYSA-N 429.502 0.767 30 20 ICED O=C(Cn1cc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cn1)NCCO 475625679 MDAGGKBDONGMTJ-UHFFFAOYSA-N 431.452 0.969 30 20 ICED CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483477268 OXHQDYHPYWYKFD-GFCCVEGCSA-N 429.524 0.422 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2=O)cc1 487399237 RFMMPXUOLDVSGU-IBGZPJMESA-N 441.513 0.937 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)c1 497928534 WNDUTJGUISYVRN-IBGZPJMESA-N 435.436 0.524 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498973280 BTFXIMYJNHBURZ-IRXDYDNUSA-N 425.576 0.679 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Br 500208147 AGUHKPHSNJVZRQ-GFCCVEGCSA-N 430.280 0.267 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccon2)c1=O 505662778 OQWGNJWQLMEXKM-AWEZNQCLSA-N 439.497 0.487 30 20 ICED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 506417155 XWMPRPJVQICFQW-MRXNPFEDSA-N 432.502 0.854 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2=O)cc1 508120176 OVPVCSZWXMUKCO-GOSISDBHSA-N 440.481 0.743 30 20 ICED N#C[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@]12C(=O)Nc1ccccc12 513973897 FOAFDDNXWNANDU-XCLFUZPHSA-N 425.470 0.618 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 524281850 CVOWACQWZRGDQQ-UHFFFAOYSA-N 433.555 0.577 30 20 ICED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)CCCC2 538964285 KQVSJXKNLOAYHL-HUUCEWRRSA-N 435.550 0.719 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 541902164 VGWVSJWPXGMOIB-LBPRGKRZSA-N 434.453 0.362 30 20 ICED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 549665326 JFUDROJAUCMWIO-ZWKOTPCHSA-N 434.541 0.311 30 20 ICED Cn1cc(CCCNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 557526304 FPZUQXCGSNREPU-UHFFFAOYSA-N 437.460 0.937 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 559664881 PTYYSYCGPZBVIE-HXUWFJFHSA-N 440.548 0.312 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)n1 572753919 BKYIPCHOMRCNAF-GOSISDBHSA-N 433.472 0.309 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 574947852 VJIQIYPJOHEIHF-UHFFFAOYSA-N 430.461 0.847 30 20 ICED C[C@@]1(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 576506083 PSUXQSGEVDQDNY-IBGZPJMESA-N 427.442 0.530 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1=O 581674007 ZKRUKWOMHLDBPQ-SFTDATJTSA-N 441.576 0.727 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 608911096 JCFLTNBFWCPLDG-UHFFFAOYSA-N 436.468 0.984 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2=O)cc1 617091860 HYXDKHYUOYBYIL-MRXNPFEDSA-N 433.424 0.745 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCCC(=O)OC)c2=O)cn1 732562456 AYYCIACFFBOQLQ-UHFFFAOYSA-N 445.545 0.355 30 20 ICED C[C@@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1c1cnn(C)c1 742907418 AYPCCDGAXGMKMA-CZUORRHYSA-N 444.517 0.549 30 20 ICED CN(C(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C#N 749614603 AIYNYRPPPBZZKU-UHFFFAOYSA-N 439.490 0.820 30 20 ICED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 749654475 KDPIBQQOQABNOH-DBWCEAHUSA-N 448.524 0.963 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1C 754511880 PLFFXRPEZPIEFM-VGLIXDPASA-N 435.550 0.991 30 20 ICED CC(CN1C(=O)CCC1=O)=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 754896009 WNEQZIOADIYADM-UHFFFAOYSA-N 439.450 0.553 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc2n(C)c1=O 757587475 JXFZHDFCRAQWQM-TZMCWYRMSA-N 428.449 0.121 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 761026463 ZJBKPSYRASWBFB-INIZCTEOSA-N 435.575 0.962 30 20 ICED C[C@H](CC(=O)N1CCCC[C@@H]1CS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 769577171 CEQUYSOZZGHPQE-CHWSQXEVSA-N 428.536 0.173 30 20 ICED C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891016 QWHZPFYVRPQKPN-SSDOTTSWSA-N 433.273 0.854 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3cnn(CC)c3)c2=O)cn1 772301234 CRVRPVPSFBKZLL-UHFFFAOYSA-N 435.513 0.538 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 774350252 OCXQUUZNRPLDEG-IFXJQAMLSA-N 440.522 0.646 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 778741086 IJKYZWOXIXGWQC-HNNXBMFYSA-N 427.442 0.567 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 781911457 XZFIIQYAQPWJLP-YJBOKZPZSA-N 437.456 0.604 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)o3)CC2)cc1 796145207 YMTWEQBSJBFBTI-UHFFFAOYSA-N 433.442 0.850 30 20 ICED COc1ccc(CNC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1C#N 808901776 MAYKITHVNPBKJV-UHFFFAOYSA-N 443.548 0.926 30 20 ICED Cc1nn(C)cc1S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 809037355 WQFFGAJPLNYGBA-SNVBAGLBSA-N 425.492 0.051 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809308518 IMAPABWIHCZJDC-IRXDYDNUSA-N 439.921 0.470 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1C#N 809501063 CAVLZLZJTGMEAY-KRWDZBQOSA-N 441.532 0.728 30 20 ICED COc1cc(OC)cc([C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810366592 LUYQNSFDXYDRSP-GOSISDBHSA-N 436.428 0.944 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 815861418 HQUMDPFZCLCTEF-UHFFFAOYSA-N 449.577 0.023 30 20 ICED CCn1c(CCC(=O)[C@H](C#N)C(=O)NC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 917001761 DWNYFIBBONALSH-HNNXBMFYSA-N 447.517 0.465 30 20 ICED CCCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 919800930 XNDVFKJRINRBLF-RELWKKBWSA-N 435.550 0.992 30 20 ICED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)cs1 920395569 XFCDOOYHNYGIBY-UHFFFAOYSA-N 436.559 0.231 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1116427989 UFSAFDIMWOCVEW-UHFFFAOYSA-N 436.509 0.963 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1291189975 MQAJRIOPUZMPQJ-GDBMZVCRSA-N 428.518 0.918 30 20 ICED CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297709361 NAGLIAUMNAJXBY-UHFFFAOYSA-N 446.581 0.906 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCCN1CCN(c2ncccn2)CC1 1318916970 RYEAGGMKBJDVSE-FMQUCBEESA-N 427.509 0.412 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc1 1452242553 FXMWAKHCQPLJNB-HRAATJIYSA-N 448.545 0.947 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1513032129 ZODPKDWTTWRNHE-NVXWUHKLSA-N 436.582 0.908 30 20 ICED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 1516676230 WSTDWOKGCMIZOC-QJPTWQEYSA-N 425.488 0.532 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1517348838 ZHPXDKLEYJSLRS-UHFFFAOYSA-N 432.506 0.156 30 20 ICED CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)OC 1614407677 MLIASLMGMJJGEF-OAGGEKHMSA-N 442.542 0.155 30 20 ICED CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1709336131 XGFDGQAAGQXMNU-FXAWDEMLSA-N 431.518 0.982 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1728682357 IONSQFBQAGQOQC-KRWDZBQOSA-N 445.549 0.813 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)cn1 1769009068 KFWSUPWNGHOQBQ-INIZCTEOSA-N 427.490 0.881 30 20 ICED COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1770757991 ZBGVQNNQXBRJAL-IRXDYDNUSA-N 440.508 0.763 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779103157 NIHBBZCSHHMQPK-FRCMGPSKSA-N 436.425 0.290 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528129 DANFDNHITDVVSB-FQEVSTJZSA-N 432.433 0.128 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947032 DXYUFRDGKMQWDA-VLIAUNLRSA-N 430.486 0.238 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175316 XBSZEQVMJLNWQV-WIBUTAKZSA-N 436.534 0.695 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1781268256 KQYCNYOXWDKZIS-OAQYLSRUSA-N 427.461 0.911 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCNC4=O)CCO3)cc1 1781786022 UAZSQBWYMSUSEB-QHCPKHFHSA-N 448.483 0.450 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1782194582 JLOHNZHZIORRPS-QFIPXVFZSA-N 447.455 0.990 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)COc5cccnn5)CCO4)C3)c2c1 1782198074 KMKXHEMXGKRFLP-JOCHJYFZSA-N 447.455 0.747 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2)n1cnnn1 1782594701 BLTCBFLBYFDWQW-DKZVUGQWSA-N 437.504 0.862 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783195802 YGZWKZBSKCNNLI-QGZVFWFLSA-N 444.460 0.493 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568341 USBIXUDSIYNDDT-GXZWQRSESA-N 435.477 0.208 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1783919407 ISCKCGTUXWPCQF-WDSOQIARSA-N 427.892 0.963 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 1784480308 WANMOZWHSYNIED-NKMKZGIRSA-N 428.485 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1784484017 NWNUEXCGFUAOSQ-QHERXFFYSA-N 425.485 0.562 30 20 ICED O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1785215229 KOZUQVKVUOQJGF-IHPCNDPISA-N 437.456 0.823 30 20 ICED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788562373 ODWOMKVLPFENKS-GTAWCEEGSA-N 426.517 0.725 30 20 ICED N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1)c1ccccn1 1788657991 KUHNBBAMZJNAOJ-QGQDGTMUSA-N 445.520 0.590 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789890576 UTVZHQPUMPVVJD-BZSNNMDCSA-N 434.537 0.757 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955271 MIXWSYTXKGEZRW-VGWMRTNUSA-N 427.571 0.251 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1793596179 RDXONARIPHXMPN-OEIMDMHZSA-N 429.539 0.834 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795440974 DOOLCFFAARXLPC-HATOLVCRSA-N 435.641 0.959 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795981761 YHIYLRCGOLQLIP-JYYAWHABSA-N 446.508 0.233 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796458045 PEZKUHSOMVIFHP-ZSKVKKPNSA-N 438.488 0.505 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1 1796530702 SDLIYMFIDTUCRZ-YVSFHVDLSA-N 432.477 0.794 30 20 ICED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796748507 GARLXUSPILCKGF-JJLQDPRZSA-N 447.293 0.899 30 20 ICED Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776151 UTZOJVBHVJNIGL-ZSBFGKGUSA-N 440.481 0.805 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1800984168 KQUBWUUKCHCRIR-ZXFNITATSA-N 426.560 0.758 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1808228433 DHUHUAIYHAVOPE-FGTMMUONSA-N 443.552 0.816 30 20 ICED O=C1CC(C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)=NN1 1810222371 IIHODPURUGHHAY-DYESRHJHSA-N 437.500 0.662 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810558922 IZHPDQYLXDDLJZ-GEALJGNFSA-N 430.505 0.277 30 20 ICED COc1ccnc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1OC 1811651002 UZAYOLBCPQYLFA-FOIQADDNSA-N 438.440 0.901 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812530045 PGWKUILNGZNBAZ-ZWOKBUDYSA-N 430.505 0.996 30 20 ICED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)CCC1 1814055659 WRXYCMAUAYRADV-UYAOXDASSA-N 429.521 0.068 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1823744599 XFECUOZIUFBRAX-OPLLUPHASA-N 433.553 0.057 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1826933645 ORCWKIQNRGAPDM-MZMQKINNSA-N 434.585 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1829765992 DPCVAOKYTGHHOC-XSAUMEDDSA-N 444.488 0.024 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904612 RAGRNBCUHPBVLK-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1830981580 YJIFUZCNXFNMRR-GEEYGDQWSA-N 432.525 0.372 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1831220932 AUAWSHKWYAUCGX-OAQYLSRUSA-N 427.436 0.352 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1831402104 NYZCJPBTRYQIEJ-XUERSVHISA-N 428.485 0.900 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1832446869 JPPWVQGETHSDEN-MAUKXSAKSA-N 434.580 0.043 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(OC)nn3)CC2)CC1 1833466889 BSHLZKFDQOLUMD-MRXNPFEDSA-N 429.521 0.709 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833650155 DUNMWJNQXZAJFK-QHCPKHFHSA-N 435.484 0.751 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 1833717824 TYIGZEBPAKVQJP-FQEVSTJZSA-N 441.484 0.486 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834399450 SRQNYVLCHAUXBI-JOCHJYFZSA-N 449.471 0.552 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 1834899227 CLERDYAWGOYLQP-OALUTQOASA-N 448.564 0.562 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)cc1 1835845483 UECFMPRVKKBUBB-HXUWFJFHSA-N 427.486 0.981 30 20 ICED Cc1ccc2oc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2n1 1836267210 UUVZHFQLZABWOT-OAQYLSRUSA-N 427.413 0.294 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837391045 GTMBPBWNPRVPMC-FOIQADDNSA-N 437.449 0.831 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1837393438 RJZPFVFDLJKGKQ-KSFYIVLOSA-N 440.537 0.748 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837397837 WJOUFBIYWANHQI-BTYIYWSLSA-N 435.477 0.136 30 20 ICED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cs1 1837442000 LJCYYUSALAMALF-JNQCIGHESA-N 436.538 0.267 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1839173570 ZLEUCULJLADLJN-NRFANRHFSA-N 435.477 0.491 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222646 UZVGELQHZGJVTD-JXXFODFXSA-N 426.514 0.158 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223400 USQUSLLRHJRGMQ-OXQOHEQNSA-N 426.514 0.112 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1839223787 ACNKNUISIHJUNG-QMHWCDLVSA-N 446.548 0.986 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839364008 HQWZOESAGNYYFO-OAQYLSRUSA-N 430.461 0.179 30 20 ICED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)CN1 1839870121 TZKNJVVMHKNOLN-FLSNZFEDSA-N 447.513 0.080 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CCO2 1840009504 ZPNQQWYODCBDHK-NPFVIJTESA-N 433.505 0.333 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840039637 BCSCPQZBNVKSFR-QFIPXVFZSA-N 425.441 0.035 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840159061 WMPSURLFEPXORA-FZKQIMNGSA-N 427.548 0.253 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840162024 JLZINXNMJJCQJZ-JLTOFOAXSA-N 447.517 0.828 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1840932466 DADSFZWTWOAZMZ-QHCPKHFHSA-N 426.469 0.336 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1845252239 OMYXXVUHLRSZFK-UONOGXRCSA-N 431.493 0.997 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1F 111078220 JBQSRGKZXZPHJH-HNNXBMFYSA-N 426.514 0.607 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1C(F)(F)F 409540644 GWJRJWHWWULPLF-UHFFFAOYSA-N 446.451 0.742 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(C(N)=O)cc1 440381106 HXGUVGTWRXMYCG-UHFFFAOYSA-N 436.493 0.929 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)c1 441828056 XHIGBNIPXFDGGI-ZDUSSCGKSA-N 443.485 0.857 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2C#N)c1 443066540 CNSVQDAYGNNMNZ-UHFFFAOYSA-N 426.451 0.522 30 20 ICED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 469598925 NUBKPUULVMCBBB-UHFFFAOYSA-N 445.476 0.924 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc1 475479516 NRUPLACYCCNRSY-ZDUSSCGKSA-N 431.536 0.371 30 20 ICED C[C@H](O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 476871057 WDAZERWZNOBWNB-SJORKVTESA-N 434.562 0.872 30 20 ICED CN(C(=O)Cn1c(=O)c(I)cn(C)c1=O)C1(C#N)CCCCC1 478040866 NUTUARFMNYSIPU-UHFFFAOYSA-N 430.246 0.836 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 478851475 GILZUGWBJRDKIS-JKSUJKDBSA-N 442.541 0.661 30 20 ICED CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C1 487711860 VSBMBLHJGOCIJG-AZUAARDMSA-N 434.500 0.984 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 489233888 QUHUYUXCKMMETM-WIYYLYMNSA-N 425.533 0.919 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 490491329 JURQFGUQEOQPDC-XVSDVWIESA-N 444.517 0.578 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 491083609 YEAJUWOYWFPZMO-UHFFFAOYSA-N 448.545 0.798 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1NC(=O)CN1CCCCC1 508363263 NSIPXWJTMIGACI-UHFFFAOYSA-N 438.492 0.638 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@H](C(N)=O)C1 508960742 LGSSYYUKOGKMJP-INIZCTEOSA-N 446.533 0.464 30 20 ICED CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC#CCO 510065068 HITQLDTVSQPRNU-AWEZNQCLSA-N 435.365 0.961 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3CS(N)(=O)=O)CC2)cc1 511117243 WVVXZNBCAYFEGD-INIZCTEOSA-N 440.547 0.238 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(OC)nc1 512761597 FAQTXVGLFSYTKT-UHFFFAOYSA-N 436.497 0.324 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)C1=O 519097735 YHVXELDYOFHDHS-UHFFFAOYSA-N 439.472 0.889 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(CC)CCC#N)CC2)cc1 522166952 MAJHXLSAUYRLMZ-UHFFFAOYSA-N 436.534 0.932 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)C1=O 522724550 RWKPPTDEBFRFDF-UHFFFAOYSA-N 430.461 0.325 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 524282042 NKMFZRLCLUZWDF-UHFFFAOYSA-N 434.433 0.689 30 20 ICED N#CC1(NC(=O)CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 527384848 JZPYAKBGTZEGTK-UHFFFAOYSA-N 434.518 0.717 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OCCN(C)C)c1 535696532 MXNVHXJHDGJFFX-OAHLLOKOSA-N 431.518 0.877 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 537172136 BAPJIQYOWVEWLO-QZTJIDSGSA-N 431.562 0.780 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)C1=O 557332872 PJUWEUKBELMFPW-HXUWFJFHSA-N 441.532 0.217 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCC1 562155540 BVDOOCIFLLMYMQ-SFHVURJKSA-N 439.516 0.935 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 565971435 HVGXYIZBSPICIM-UHFFFAOYSA-N 440.478 0.137 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 571454436 KBKGOOICYWTKKA-AWEZNQCLSA-N 435.419 0.677 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 571559737 VTQQRRBGULJXIA-FVCZOJIISA-N 447.495 0.130 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 588127706 PSVCREVXYSJCLV-UHFFFAOYSA-N 433.534 0.014 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2csc(C)n2)c1=O 590908814 COAUMTOTQUECTE-UHFFFAOYSA-N 431.587 0.752 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(C)=O)CC2)cc1 591857801 UIOJJHKAMDYTMM-UHFFFAOYSA-N 436.534 0.806 30 20 ICED O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 623037901 UIPIFCFHBIJZFG-SFHVURJKSA-N 443.491 0.978 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1F 731495310 YQTWUVMWNAOCLL-UHFFFAOYSA-N 449.529 0.184 30 20 ICED COC(=O)CN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 737860035 LUDVTSARAKYNPU-ZDUSSCGKSA-N 429.882 0.936 30 20 ICED COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746354769 LGDKYXMQSLRANA-UHFFFAOYSA-N 426.433 0.347 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 758053919 WRZQWONDTMMOHW-UHFFFAOYSA-N 439.493 0.374 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 778207033 LDQAXONNCAUYKG-XQNSMLJCSA-N 435.506 0.080 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CC1 793195337 CGNUPKRIIGAELO-CYBMUJFWSA-N 428.511 0.642 30 20 ICED C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 793827607 PKVVSXFEJFOXIP-OAHLLOKOSA-N 443.504 0.931 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)c2ccccc2C1=O 803544938 NAOJEYFTZHBXHA-UHFFFAOYSA-N 426.454 0.528 30 20 ICED C#CCN=c1nc(N2CCO[C@H]([C@@H]3CCCO3)C2)[nH]c(N2CCO[C@H]([C@H]3CCCO3)C2)n1 804544051 FMLOLNVCVHPONE-RDGPPVDQSA-N 444.536 0.107 30 20 ICED Cc1nc(O)nc(O)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 813527908 DXTDPBGHCONGPJ-UHFFFAOYSA-N 431.474 0.534 30 20 ICED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 918435396 CPOFHTSBRVCJON-HZPDHXFCSA-N 434.518 0.105 30 20 ICED CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1291183959 KPNOFEJWIMLTIM-HOTGVXAUSA-N 425.559 0.349 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1299111871 VINFRKYLRRDSQN-UHFFFAOYSA-N 449.519 0.953 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1516229521 QBGJDCOLKXOLSG-LAUBAEHRSA-N 426.477 0.806 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1611687254 UUBFXWSIAPNTNG-RRQGHBQHSA-N 445.590 0.768 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1=O 1698086234 YEYQEORCUQTFDO-UHFFFAOYSA-N 447.446 0.493 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1712104225 JNZOIJYQJBFGES-SFHVURJKSA-N 426.477 0.527 30 20 ICED CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728724548 KYHQXDYWZGRWNR-HOCLYGCPSA-N 439.586 0.880 30 20 ICED COCCN1C[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1749863251 UKDWQJYLNDUMJS-HOTGVXAUSA-N 429.525 0.854 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1750998847 VCPRQRNPQFABRE-UHFFFAOYSA-N 448.535 0.640 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381662 WPOHSESEQOYXHJ-QFIPXVFZSA-N 445.520 0.443 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779065269 XZLIBQQDKLTQKF-QHCPKHFHSA-N 427.501 0.377 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779106850 MHLUFNLIMYGCIH-UZWDYZERSA-N 431.493 0.802 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)cc1 1780602006 YLWVRYYFFAYRHS-XFGYDDDFSA-N 426.517 0.603 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1781103355 SFMUAMGXLSTLRE-NJNPRVFISA-N 445.495 0.418 30 20 ICED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781175445 KYRLWTLKJVJZBF-NRFANRHFSA-N 430.461 0.295 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1781270696 SXQGZIOANCMLJJ-VGOFRKELSA-N 431.489 0.749 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782179671 UPBJZOVYZRMIDW-SZNDQCEHSA-N 441.444 0.953 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782670372 IDRPPHYOADNICQ-HOIFWPIMSA-N 445.520 0.831 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782958258 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C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21)C(F)(F)F 1790883253 RSTQMOLNXRSWPM-SRVKXCTJSA-N 427.383 0.287 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2C1)C(=O)O 1791984329 DUJHIDGDVDIBNL-SSRYDLFMSA-N 442.516 0.970 30 20 ICED 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 1793078361 GVQFPMJDOJGBEP-ILOCAZANSA-N 437.537 0.510 30 20 ICED CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1793246919 RJSQPEQUTJEESR-NMZZKHSVSA-N 442.516 0.614 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC#C[Si](C)(C)C)n1cnnn1 1797730614 QVZBXCFHCMCRCE-BMFAXAFESA-N 432.601 0.875 30 20 ICED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1C 1797784157 MGGPJAWGBUQMPP-UPHUGPLXSA-N 428.533 0.884 30 20 ICED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1)N1CCN(C)CC1 1798468544 GOZJNPYIOSKKEC-MXEMCNAFSA-N 430.593 0.959 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc2snnc2c1 1798506187 FZEUEXOWAUNENO-HTNTUIDQSA-N 443.533 0.761 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1802022732 KCSKMYZLPVRWJB-RMFSNUHRSA-N 448.564 0.542 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1802489794 MKKQSCQMGYIQMP-XHAXUSEASA-N 425.489 0.082 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1804093708 FXTYPTQQVFCROE-KXBFYZLASA-N 435.444 0.153 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)C1 1806003267 PFZQCFAVARUBIV-IBGZPJMESA-N 432.565 0.420 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2nc(C)no2)[C@@H]1c1cccnc1 1807516608 AWFPYKBCNMVSDK-WJBDPIGGSA-N 438.488 0.880 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811182745 PEGQEOKXWZOWGA-IDHHARJASA-N 436.472 0.328 30 20 ICED COc1ccc([C@H](O)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1812874776 YITGIXFTUDFUMI-WTOYTKOKSA-N 437.452 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(=O)n2O)n[nH]1 1816147092 XKZMMLBQLAPPAW-KVPUOBJLSA-N 440.460 0.973 30 20 ICED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)sc2C1 1822725411 TUZXIFQTDHZQRU-DYEKYZERSA-N 434.518 0.916 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901965 XMMKUFQLVKYBKQ-KRWDZBQOSA-N 446.552 0.440 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)c1 1825327920 VNZGZJSLVIZXAC-MRXNPFEDSA-N 443.529 0.527 30 20 ICED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)COC1 1829907214 ATDJEZBNAUHUDC-QHCPKHFHSA-N 427.501 0.984 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1829960317 MSGZYBDRGDQDTA-MBSDFSHPSA-N 440.500 0.463 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1831393080 USNQFHGPCVKVTA-AOMKIAJQSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831411499 SNJYDAACIDFTBX-NRFANRHFSA-N 436.509 0.482 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831419674 ONNHLCZROGBOPJ-RADWXHQJSA-N 439.553 0.585 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COc3ccc(O)cc3)CC2)CC1 1833211597 BKXDFRLAYBEOHB-UHFFFAOYSA-N 429.473 0.431 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1833463366 IQBMXYGHFAWXNX-INIZCTEOSA-N 430.505 0.309 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833468020 INOGEFBFMZQQOT-JTGQJZMRSA-N 430.549 0.431 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OC)CCO2 1834125265 NWKIMVDOAUNMNI-DYRFGFBLSA-N 444.488 0.019 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295711 SJBKNJXIXFDWIR-JOCHJYFZSA-N 428.489 0.245 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)CC1 1835567383 DGBRDKLBAMKJOP-QGZVFWFLSA-N 443.548 0.889 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1835768523 IZUYPRFWXIKVNJ-NEJMMLKWSA-N 448.564 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836032918 SUFWBVCBFPOZOO-AVRDEDQJSA-N 435.496 0.793 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836141356 LFCTVASANIRYEO-VGSWGCGISA-N 438.488 0.675 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447513 QAYZDPMDOPENKV-KPSNGJBRSA-N 446.552 0.447 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)cn1 1837488787 RJKZRMMEECCBDD-JOCHJYFZSA-N 430.505 0.189 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503472 WLLLJPQMZWFCRD-AOMKIAJQSA-N 441.488 0.372 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838739227 OPMSDMZVCKKNNW-OAQYLSRUSA-N 430.461 0.466 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222708 WZRHXTWEULYVES-GFCSNGQLSA-N 436.509 0.102 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421806 MDEJYJYSQDMBKC-QFIPXVFZSA-N 441.463 0.973 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1)C(F)(F)F 1839892298 FWQSTHMGGZLORQ-CRAIPNDOSA-N 428.411 0.656 30 20 ICED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1C 1840070676 DTXWKTOOBGBXQK-JOCHJYFZSA-N 430.457 0.091 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840437185 XTNZVSABXPPOFT-QFIPXVFZSA-N 440.504 0.549 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2)C(F)(F)F 1840483729 DDANZQCHXSUJMY-SFHVURJKSA-N 429.395 0.783 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1847263103 ZXPDMFXORHIGTA-WIHSTGAQSA-N 428.533 0.838 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 108759189 MBZXFRAMRFDPBW-SJLPKXTDSA-N 430.436 0.529 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426367114 VCRCOFPXAWCVHO-GRDNDAEWSA-N 429.477 0.415 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 432672344 RXVJDTPVXIYNFT-HNNXBMFYSA-N 430.552 0.991 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1=O 440261409 STEPVKLHMNXMLB-MRXNPFEDSA-N 438.481 0.549 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)cc1 441939025 WCADPJBXXOTTBC-GOSISDBHSA-N 439.537 0.617 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 444754682 CPTVDEIWFGHWPS-UHFFFAOYSA-N 429.477 0.928 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cn2)C[C@@H](C)O1 446432076 FKTAWZJLZABQNR-HZPDHXFCSA-N 442.476 0.993 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)c1 448166121 UJVKHAVZSJXXIF-UHFFFAOYSA-N 445.320 0.973 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461758999 YAULDOMBOAWWDT-LBPRGKRZSA-N 428.478 0.795 30 20 ICED Cn1c(N)c(C(=O)CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 471012992 BSSJKARMDGSGEN-OAHLLOKOSA-N 430.896 0.385 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)o1 473375951 YQQUEKJBLIWBGZ-UHFFFAOYSA-N 425.463 0.344 30 20 ICED N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 475792173 CPCBTHLJFYCEEW-UHFFFAOYSA-N 448.954 0.531 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 476742212 GQRVFQWPWNGBDN-LJQANCHMSA-N 432.484 0.892 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 477869103 RXXXOGVSIWXKIN-UHFFFAOYSA-N 442.476 0.913 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N[C@]3(C#N)CCOC3)cc(-c3ccc4c(c3)OCO4)nc21 478638579 KPSGTPRIPZNYNR-NRFANRHFSA-N 435.396 0.842 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccccc1 480475637 XTBJCSFDGJNJEI-AWEZNQCLSA-N 436.515 0.320 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2=O)cc1 488620402 BOEHEUKJKMZKAP-SFHVURJKSA-N 430.428 0.390 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3cscn3)c2=O)cn1 488991209 YJPBIAMFWLHUIZ-LBPRGKRZSA-N 427.511 0.681 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 500934164 LYHJBVNIINMSKL-UHFFFAOYSA-N 446.508 0.976 30 20 ICED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 505041775 NSXILLMXIWTNSP-CYBMUJFWSA-N 444.473 0.814 30 20 ICED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513582207 JRCXSEMHNWGIKF-QKKBWIMNSA-N 439.497 0.926 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 515906476 TZKAQBIPIUZSAF-FQEVSTJZSA-N 440.548 0.266 30 20 ICED CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 515943722 SHGGBCRCMOHXDY-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1C#N 518509118 YBMYNCWTLCGRCI-UHFFFAOYSA-N 440.460 0.978 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C 519945809 QFGCWTQWLKXQDF-UHFFFAOYSA-N 438.412 0.986 30 20 ICED COCCn1c(N)c(N(CC(=O)NC2(C#N)CCC2)Cc2ccccc2)c(O)nc1=O 525885719 JOQHFMRMMSNRIV-UHFFFAOYSA-N 426.477 0.747 30 20 ICED Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C 533380983 ZZPNBIPZEUVGRA-ICSRJNTNSA-N 434.562 0.638 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)n1 545492333 QFUQUKBWDGNTHS-UHFFFAOYSA-N 448.483 0.713 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 547418073 XMBIKDVBTDRCRO-UHFFFAOYSA-N 432.458 0.520 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 550742741 MGNSEKOVPRQWKE-DNVCBOLYSA-N 442.516 0.767 30 20 ICED N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561262114 FBMBQDFRSWOPJW-AWVGPMCYSA-N 436.472 0.714 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 577140157 UHQZKXQDZBHTCT-UHFFFAOYSA-N 449.510 0.822 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cn1 579517892 YJMVPKGFUAZMSY-IBGZPJMESA-N 435.488 0.252 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 583596406 JXMQEOHRUKHONA-IRXDYDNUSA-N 433.534 0.036 30 20 ICED CN1CCO[C@@H]([C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 588127410 GFQYWOXIXCRHLG-MOPGFXCFSA-N 433.940 0.932 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 600813405 PBWWDNIUCIIIAM-IRXDYDNUSA-N 444.513 0.566 30 20 ICED COCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 603933742 NQWVGLJBUFVSLM-UHFFFAOYSA-N 430.486 0.513 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 609686393 FWPJHPDCJKBRMS-SFHVURJKSA-N 430.528 0.935 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN2CCOCC2)cc1 674649709 GVNIQODGIWYZSH-INIZCTEOSA-N 436.534 0.630 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CC(=O)NCCOC)C1=O 726410752 IMORFEUMMPYOPC-AWEZNQCLSA-N 426.470 0.665 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CNC1=O 731008832 SXOZLCGSBMVLML-AWEZNQCLSA-N 435.506 0.342 30 20 ICED N#CCSc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480208 CROLGKPBOOFMNO-OSLDLMBLSA-N 429.454 0.946 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)CC1 772109111 HEVWXNWNGJMITF-UHFFFAOYSA-N 433.509 0.573 30 20 ICED C#C[C@@H](NCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@H]1CCCO1 775807793 VSQODSFDEUTUED-IAGOWNOFSA-N 425.489 0.703 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 783617923 IVCHYDBREIQECT-UHFFFAOYSA-N 431.355 0.506 30 20 ICED CCN1CCN(C(=O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 783673423 NZGTYRGFXFBUDK-YJBOKZPZSA-N 441.488 0.859 30 20 ICED CCN(CCOCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 800644623 IVZCFYCRJHMEDP-FXBPSFAMSA-N 440.522 0.295 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 800778017 WOYFZCQJORVEAF-KBPBESRZSA-N 444.558 0.804 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)n1 804117673 DWIGUOYDARLJKJ-SFHVURJKSA-N 439.516 0.895 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 804401171 GGNOWXVQXVOHSK-UHFFFAOYSA-N 449.515 0.543 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807781182 CXRLYAQBHJOJCF-UHFFFAOYSA-N 432.424 0.947 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 914880173 WGLNBMAGFMJUMD-UHFFFAOYSA-N 432.546 0.368 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 915614173 DJUBEVOPUWJVKU-UHFFFAOYSA-N 440.525 0.655 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917780873 SHAZZLODSYAFQW-UHFFFAOYSA-N 431.562 0.927 30 20 ICED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)ccc1Br 1191172072 SWGSGACAAUIDCG-UONOGXRCSA-N 435.321 0.897 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1286962280 YLCYHZZJYWERDV-AWEZNQCLSA-N 443.537 0.968 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)O)CC2)c1C#N 1290578306 YMLKHTBPERKMPQ-UHFFFAOYSA-N 441.540 0.412 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1299288166 IOIXJIIKAFQLIT-GOSISDBHSA-N 443.508 0.852 30 20 ICED CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1313961997 YXLHABPNDXUKGB-GOSISDBHSA-N 430.557 0.270 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCC=CO1 1360707359 CEAVHTZKJMHTOC-BHYGNILZSA-N 435.554 0.758 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)CCO1 1475371022 LIWYANLDKHHLNL-DOMZBBRYSA-N 436.303 0.798 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1505122135 PFDKWJXINFKWKC-INIZCTEOSA-N 444.517 0.604 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1552892911 OAONSXOKPACLKD-ARFHVFGLSA-N 440.570 0.817 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 1557462762 ZJNJIZMCFZNRBM-NVXWUHKLSA-N 427.548 0.920 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1611677221 MBAQETCKWQTGOB-SNVBAGLBSA-N 437.448 0.307 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1643325271 SCVOQLRVBBZHEN-UHFFFAOYSA-N 433.511 0.705 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1709143101 XEGPJIAJUAMVED-RTBURBONSA-N 428.585 0.960 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1746537275 TWADCZOBYQAZSE-INIZCTEOSA-N 441.521 0.512 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1767845032 RNKSJCNJTRFCQW-QGZVFWFLSA-N 445.549 0.718 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1777984988 TXZRCLZMJUZCNU-BVDRTOKDSA-N 433.509 0.659 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779877143 RLSWTORSQGDIGQ-NRFANRHFSA-N 438.419 0.344 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)c1 1780090495 UUQOBQHIZWMRDD-XMSQKQJNSA-N 439.472 0.570 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CNC2=O)C3)cc1 1780408901 HVEYQGCGDQGOGE-VGOFRKELSA-N 439.472 0.238 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141507 FZJXJBDRWDGUMM-NLSFWIRASA-N 448.564 0.875 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1781271842 NDLOSFRPCFRUIG-KSFYIVLOSA-N 430.505 0.854 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295041 HCSRCHLEEJKBTP-NRFANRHFSA-N 449.504 0.976 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493762 IJIOKIMKJWQUSK-GCKMJXCFSA-N 449.508 0.876 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CCO2 1783056426 ZIYBLOPJYXXMGL-PEOGOYOCSA-N 433.505 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783531234 JYGOMHNNSXUBMU-SFBLKUJSSA-N 448.520 0.354 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1783896118 XZQCELULLLGVCU-ACJLOTCBSA-N 427.548 0.388 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1785101776 KUUZEUDVLFHDFV-AXKGWLQCSA-N 440.500 0.947 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CCC1 1785367043 UVGDYGNNEMTMAV-QHCPKHFHSA-N 441.484 0.973 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)cc2C1 1785369569 QCFYVAODTKHGFQ-QFIPXVFZSA-N 426.521 0.856 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1786702924 ZUSVIXZQMDEYOE-LNLFQRSKSA-N 427.505 0.815 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1)c1ccc(O)cc1 1786743928 POQJQSYAZQBPBS-QIJZPMMNSA-N 441.528 0.957 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)ccc1F 1789908466 WRKQPPITFATDMJ-JMVFIXPQSA-N 442.491 0.746 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790145058 FBLFGMKPKVCGET-FHWLQOOXSA-N 443.573 0.830 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793050787 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0.312 30 20 ICED O=C(CNCP(=O)(O)O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798467971 KHPVSWBHPFERFM-MUJYYYPQSA-N 427.438 0.048 30 20 ICED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)NCCC#N)C3)no1 1798508278 ULWURDSNZUYDIO-MUJYYYPQSA-N 430.509 0.633 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnc(O)nc3O)C4)c2c1 1799882512 QZXJAMJUWSISNR-DRXBFXEBSA-N 449.427 0.153 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 1800455803 RGSFKCDYJOMOKX-WHZNHKCRSA-N 446.504 0.365 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)C#CC(=O)O)C2 1801990549 ZLBZEOZZYTXNGY-JONQDZQNSA-N 442.472 0.348 30 20 ICED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1803556385 HVAAWYXDLKUQEF-UTKZUKDTSA-N 443.504 0.622 30 20 ICED C#CCCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195517 CXBUPLKARCASAA-NQIIRXRSSA-N 432.546 0.231 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]1c1cccnc1 1808444469 GFTMYNGCRJVZCS-ICNOLWKDSA-N 441.532 0.718 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810285587 GWXWUJMYUDUEKS-JANYTLFJSA-N 428.537 0.282 30 20 ICED C#CCCC(=O)NC[C@H]1CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1c1cccnc1 1814111246 QYBMJKYJAYWOAJ-UZKOGDIHSA-N 436.516 0.971 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819906237 CZVUSOWJYNOCAQ-DNCUGEDOSA-N 437.522 0.307 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203146 MITQBVRFVZJELX-LRDDRELGSA-N 435.437 0.333 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1824491022 LGVBCYPAJGSKIO-YQVWRLOYSA-N 441.594 0.972 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(Cl)nc4)CCO3)C2)c1 1829521585 UGEUAOZLAADTCR-LJQANCHMSA-N 430.852 0.714 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1829762575 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O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605359 RFHIUIGCAVFCDJ-RRPYSREYSA-N 449.460 0.239 30 20 ICED CC#C[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C)CCO2)c1ccc(O)cc1 1834945713 XFFLITHOCXPRGQ-GBXCKJPGSA-N 443.544 0.907 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1835361611 UGSVFBVJFIYVAR-QHCPKHFHSA-N 442.516 0.897 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835378445 YAPSWKTYMMIJBB-JOCHJYFZSA-N 437.537 0.438 30 20 ICED Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835673024 RNVHZULTKCEIIW-QHCPKHFHSA-N 443.548 0.671 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)n1 1835677390 HFAOKEAJPRRSLK-JOCHJYFZSA-N 445.520 0.448 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836393527 RHNYHDQMYJHVIX-JXFKEZNVSA-N 433.534 0.754 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836814911 OBGOAXXVMOZNRQ-BTYIYWSLSA-N 444.492 0.829 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837397843 WQXWZXNUACVALP-KUHUBIRLSA-N 428.555 0.033 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629791 MNMYVTAKWUXZGS-HTAPYJJXSA-N 446.504 0.050 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636694 HCNHWTORZIAARH-YVSHKSEASA-N 443.500 0.712 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838215881 RVVDVGLBGVYONJ-UQQIOGDDSA-N 430.509 0.327 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)c1 1838904450 FKIJRKJRITVHPP-QFIPXVFZSA-N 444.557 0.677 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)ccc1F 1839188146 MZWISCIIBWJDBS-QFIPXVFZSA-N 441.463 0.662 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559522 MPYHOQLFYRAQIB-HTAPYJJXSA-N 426.473 0.443 30 20 ICED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839641345 FPGZIMIPTIDDMT-NSDLYDKDSA-N 440.541 0.312 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2)C1 1840173095 BLEJGSXTLKZNTQ-KKSFZXQISA-N 441.525 0.559 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CSCSC3)C2)C1 1840842422 FZJZRSXSUBFFLQ-VQIMIIECSA-N 427.592 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1841602852 YSSFFCOMVKEMFQ-OPAMFIHVSA-N 435.521 0.600 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879370 SHFZFQKCCTWSRA-GJZGRUSLSA-N 437.541 0.252 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(N4CCOCC4)s3)CC2)o1 109067388 AGWKGCJNWWZCIQ-UHFFFAOYSA-N 435.535 0.984 30 20 ICED CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 435297820 JPRLYAOKSHPEKJ-SFHVURJKSA-N 431.452 0.933 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 437350534 XFYVLOQBJGECKX-CQSZACIVSA-N 429.458 0.964 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 446521034 FKLPYEJMEOHFET-UHFFFAOYSA-N 427.505 0.936 30 20 ICED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 446950676 BDLCLGCZEUVOMK-ZDUSSCGKSA-N 436.515 0.497 30 20 ICED CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465118649 FRBZELKXMVMYND-OAHLLOKOSA-N 428.518 0.926 30 20 ICED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472151219 GIZLLNJRWPBLPL-HXUWFJFHSA-N 436.516 0.849 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)c1C#N 472882004 PSUVTKRPUJVBRA-UHFFFAOYSA-N 430.490 0.291 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)cn1 475611705 INRVWDHELYXYGH-UHFFFAOYSA-N 436.375 0.696 30 20 ICED N#Cc1c(CCCNC(=O)c2ccnc(S(N)(=O)=O)c2)nn(-c2ccc(F)cc2)c1N 484244526 MRBZFUFTTTVHNQ-UHFFFAOYSA-N 443.464 0.870 30 20 ICED CCNC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 487504409 OTUHBZGOQQXJIP-UHFFFAOYSA-N 433.534 0.881 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 505685065 VPHDRKCPSYCEPD-UHFFFAOYSA-N 449.602 0.361 30 20 ICED CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508366119 UVMSFIPXAMGZKF-UHFFFAOYSA-N 433.494 0.325 30 20 ICED CC[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H](C)S1(=O)=O 509761268 URGNUTDHKZYMMW-ZFWWWQNUSA-N 430.490 0.810 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN3CCCCC3)CC2)cc1 512394330 BXZNGXMZYWBGHG-IBGZPJMESA-N 434.562 0.922 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 512839865 UFSDMJNDGWVMKB-UHFFFAOYSA-N 432.544 0.919 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514030248 CPRWBLMTFPBJKR-ICPLQIHGSA-N 438.532 0.984 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 515736221 VWZCMZAWWNFCDL-NSHDSACASA-N 439.437 0.549 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 517022348 HJOFRHRQXAAZMR-UHFFFAOYSA-N 446.485 0.513 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)n2)cc1 532431070 DBXQGUZTRDNKSQ-RBUKOAKNSA-N 437.504 0.896 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 533083840 FRKKVGWLUNGZAM-QGZVFWFLSA-N 440.547 0.109 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2OCC)cc1 546097001 LOHGTYRWZYTNII-IRXDYDNUSA-N 425.507 0.742 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)c(Cl)c1 550660682 VKAKJWGSIQRAED-UHFFFAOYSA-N 440.891 0.801 30 20 ICED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)ccc1C#N 555949475 NECYJBBSCJBGNT-UHFFFAOYSA-N 446.323 0.817 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccccc3)CCOCC2)CC1 569480608 VCXAMBGXPFONCA-UHFFFAOYSA-N 428.533 0.297 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 574457351 NGBMYDDMVACHKK-MOPGFXCFSA-N 440.610 0.828 30 20 ICED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 575153215 PKWISIORYIXDMA-CQSZACIVSA-N 440.460 0.582 30 20 ICED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157058 GWJVZDAVARRFIC-UHFFFAOYSA-N 449.463 0.855 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)n1 600879287 VAHLSZIFQVVMEQ-UHFFFAOYSA-N 430.472 0.217 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 608911460 GMEDFHFKPQLAJX-UHFFFAOYSA-N 435.509 0.363 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 728347190 DGLCSSKWOZWTTI-IBGZPJMESA-N 427.505 0.303 30 20 ICED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 730390316 VLBXZSHNDRVKJS-QIIGAIICSA-N 435.506 0.175 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 747570799 KMRMNJHDERRKAE-AOWPYAMASA-N 445.480 0.167 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NS(=O)(=O)c3ccc(C#N)nc3)n2)CC1 747858293 GOJICJUITFCVNB-UHFFFAOYSA-N 434.482 0.929 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)[C@H](C#N)C1 755534921 FXEFZZRYAMOLKA-IUODEOHRSA-N 426.437 0.476 30 20 ICED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 761108017 KVULHZNLPNOPPJ-AWEZNQCLSA-N 442.469 0.271 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)(C)CN(C)C 763460199 GMMCGGLUDHFUCC-UHFFFAOYSA-N 429.590 0.865 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 766337728 ZUZRQSWJORDGFS-NVXWUHKLSA-N 447.561 0.269 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(c3ncccn3)CCO2)cc1 774601306 DPWLZZFYSWETCK-INIZCTEOSA-N 431.474 0.731 30 20 ICED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784782230 BURNINPGIWHATL-IQQDNESTSA-N 435.506 0.127 30 20 ICED N#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 787627803 NSHLWSQTAQKYLM-UHFFFAOYSA-N 449.270 0.956 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 787754126 CHSMYNKQGPRRDH-LJQANCHMSA-N 434.500 0.831 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C)c1=O 794594045 HVYFNHFGGKLNNA-SNVBAGLBSA-N 437.319 0.442 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1 795325416 YCRDNFWDIDHSOG-CYBMUJFWSA-N 447.391 0.502 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 916775533 DSMSOZMKACVDNM-KRWDZBQOSA-N 429.433 0.764 30 20 ICED O=C1CN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2Cl)CCN1 917115672 PQVHMKCYGUBDID-UHFFFAOYSA-N 447.904 0.953 30 20 ICED COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)c1C 917355203 BKBXESZXJVWTTK-UHFFFAOYSA-N 444.557 0.403 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1 1221722506 YWUOIHVLXVUOJG-HSZRJFAPSA-N 443.548 0.832 30 20 ICED CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1235358990 PGIRFMBFBFEADR-UHFFFAOYSA-N 443.533 0.860 30 20 ICED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1297982410 NUEKRPQDAKERGX-UHFFFAOYSA-N 425.493 0.590 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1508427030 XHBXYBOMKOWAFV-QLFBSQMISA-N 429.568 0.743 30 20 ICED CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1545204684 UFSATKGHYOFAIN-QVKFZJNVSA-N 441.540 0.954 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)CCO1 1620356061 RIQHSTQHQAHHOV-AWEZNQCLSA-N 430.419 0.627 30 20 ICED N#Cc1cn(CCC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)nc1O 1625483630 IYTYJFMNAPRTDJ-INIZCTEOSA-N 431.399 0.796 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1643572792 JGBIFQUYCYPHGC-GOSISDBHSA-N 444.916 0.662 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)N(C)CC)CCOC1 1696085426 IAZDXUOBHZYVBG-UTKZUKDTSA-N 431.541 0.585 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726778044 LDAQBHWPFLDOQX-FOIQADDNSA-N 447.517 0.503 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1729739612 MQTNZEHUCASVQK-MRXNPFEDSA-N 432.506 0.755 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1741704934 UTPQSVBFAHIDSQ-UHFFFAOYSA-N 448.535 0.640 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1751238722 VDPQPTPVNVGWPJ-YOEHRIQHSA-N 437.570 0.491 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)C1CCCCC1 1761502361 YMJDPXTWNCUNMO-QOKNQOGYSA-N 440.570 0.948 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176873 MWAKYBHSZBRKBK-MRUHUIDDSA-N 431.493 0.016 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779310915 JDEKADNUTSDWQZ-REWPJTCUSA-N 442.516 0.472 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779423838 INBKHRXLIUFZEZ-KVNURGGUSA-N 434.497 0.321 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(=O)Nc2ccc(F)cc2)C1 1780521703 MYVSSPPZGPYQBO-VGOFRKELSA-N 445.447 0.756 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=C(\C)NC(C)=O)CCO3)C2)c(C#N)c1 1781176579 KNOGECMUKLICQA-MVLVPLOLSA-N 440.500 0.979 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1781269344 LYJMVBONFQVDNU-OAQYLSRUSA-N 427.461 0.911 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2ccnc2)C1 1782540801 LFSZHCZLKMNBQW-LBRZDFHHSA-N 443.548 0.892 30 20 ICED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784364214 GMTVVYOWZHICHS-TTYHFUOFSA-N 426.517 0.995 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)[C@H]2C1 1784661203 WFPXQNWTIVAYCR-BRFLTPSNSA-N 435.521 0.624 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1)n1cnnn1 1785382045 NYGLGDXAAFTDPQ-YWZLYKJASA-N 425.449 0.015 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CCC)[C@H]2C1 1788742966 WPWXKCQKFBUHHN-OWSLCNJRSA-N 437.537 0.780 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789144674 QNWNYJQHNKLZHE-IEZWGBDMSA-N 441.488 0.832 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCCC)C[C@@H]21 1789890402 RKEGNRDLHWBRQW-BZSNNMDCSA-N 437.537 0.782 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1791133904 IHFQMUYHOLPXSV-BJLQDIEVSA-N 448.520 0.549 30 20 ICED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)cc1 1792482755 CZVSLDCBLJPXSH-WKCHPHFGSA-N 428.533 0.416 30 20 ICED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)cc1 1793161583 JUXBVIHSARXSAU-RMFSNUHRSA-N 426.473 0.533 30 20 ICED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n[nH]1 1794560025 CJEBSYHKWFOKJT-FLBUZXSBSA-N 433.465 0.345 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795413400 BJIKZKAWQQGUHS-QDMKHBRRSA-N 436.484 0.839 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1796398311 STYIEAQZZFIJDU-OFHJESTESA-N 425.489 0.253 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc2ncccn2n1 1797380771 SJZNWPBNRIGGPC-KXJCPHRKSA-N 425.493 0.404 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1797756836 LHFDNHDGOKRRDK-RMFSNUHRSA-N 443.573 0.564 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)cn2[nH]cnc(=O)c12 1798467186 BWQJRWJYGJRQAU-IZZQQSIFSA-N 446.467 0.720 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694959 JLXMITYTXKYHLN-ARWCHSHMSA-N 437.456 0.860 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)N(C)C(C)=O)C3)c(C#N)c1 1799237627 VSQXFJMIYJZXQL-OVPTVGGWSA-N 442.516 0.566 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)N1CCN(C)CC1 1799748035 YYCVVSHZLGDUTO-JWVYWZTKSA-N 443.523 0.536 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1801764467 CXUHBZZLMLGKAT-XGIOVGQOSA-N 439.472 0.115 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1802125080 NTYXJWZXTBGVKL-XMTFNYHQSA-N 443.504 0.596 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1803608411 SJCNLOMZZZPEMN-IHPCNDPISA-N 438.594 0.328 30 20 ICED C=CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(O)n1 1805141667 VNJQMJNMLFKGIX-UXPWSPDFSA-N 438.532 0.906 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807197655 TUNSLIZUUOWGRS-MYZZLAAOSA-N 432.525 0.481 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807358602 LXZOVSRMJUTTRW-JXFKEZNVSA-N 433.472 0.936 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810091399 WFQIFDJUJMPQGL-VYCZESIESA-N 434.493 0.743 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)[C@@H]2c2cccnc2)CN1 1812639268 IFTLOIFGLXVGMU-OOLOCFEUSA-N 426.521 0.695 30 20 ICED COCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332695 UYCCXORCSFNQJO-QFIPXVFZSA-N 443.456 0.173 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 1829637837 QQQRHRTTYRNCHL-QHCPKHFHSA-N 425.485 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1829768819 JAZZQAJJMUPCTJ-DYRFGFBLSA-N 446.479 0.458 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829927540 FBVZKOYVKJPNPP-NFBKMPQASA-N 443.500 0.963 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1831216189 ZGJWSLDAQFZWTE-HSZRJFAPSA-N 435.484 0.751 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1831391460 BXILWSCIJIEGGK-UUOWRZLLSA-N 441.528 0.787 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1831395883 AQOBVRFMXGLVEZ-JTSKRJEESA-N 431.489 0.507 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831410581 CAJWLTQCTQXAFQ-WIYYLYMNSA-N 435.525 0.353 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1832455900 ATJHFWIYUXHLED-HXUWFJFHSA-N 431.518 0.947 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1832462028 DFUYYHKZJVXKKO-YLJYHZDGSA-N 427.567 0.667 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)CC1 1833030232 QGYDUJNSQIPQSM-HXUWFJFHSA-N 432.502 0.238 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1833472623 WJYAECSFXAIMGD-KRWDZBQOSA-N 433.557 0.789 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCC(=O)N3CCCC3)CC2)CC1 1833700733 NUWOOHZTUIHATN-UHFFFAOYSA-N 432.521 0.049 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833843863 GKIGHHNNBCMUHG-FQEVSTJZSA-N 428.424 0.210 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncccn2)CCO3)c1 1834295116 CTCDAYCGRPGRSJ-JOCHJYFZSA-N 437.456 0.741 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097289 SUWUMTQGPYQQGP-QPPBQGQZSA-N 425.529 0.979 30 20 ICED CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cc2C1 1835362611 PHVUCXTVCUTUSZ-OAQYLSRUSA-N 430.509 0.092 30 20 ICED C[C@H]1CCc2c(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)n[nH]c21 1835362912 YPPPICOTADSWLU-AWEZNQCLSA-N 427.505 0.733 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835673103 WHOGHCBEOGCZJJ-QFIPXVFZSA-N 429.521 0.742 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835718572 QHRZLAIYAAZJQS-IBGZPJMESA-N 432.569 0.813 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763320 AUCKOEWVVUHPAZ-LJQANCHMSA-N 444.523 0.420 30 20 ICED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844203 LVMCPWQOMLCNEZ-SFHVURJKSA-N 444.523 0.921 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836640745 UJHPYXVEXRHLGC-KKSFZXQISA-N 436.509 0.613 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837240883 CKHMLFLRGBDFMB-CQVDDXSMSA-N 430.567 0.175 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837241895 WDKCQZSNJXUDRO-GXFHPGDCSA-N 442.582 0.073 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486768 OAEKNZUQVMXHEZ-WMZHIEFXSA-N 432.517 0.180 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838250820 WAGGYQWAWJIUQR-NRFANRHFSA-N 435.452 0.800 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838533060 IDBDUSXIMHUNHB-PGRDOPGGSA-N 433.505 0.028 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838545486 FRAICLFXAQLDEY-XMMPIXPASA-N 442.512 0.931 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1838582496 PFLNELDSEZSZFY-KGVIQGDOSA-N 429.473 0.408 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)cc1 1838951308 KBXMQLBOYXUUAQ-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839175790 GFEMXIHYFZPEFU-FNEOHHHZSA-N 432.477 0.389 30 20 ICED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185907 PURSVYGSMKEBQH-RBBKRZOGSA-N 433.480 0.713 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186553 BKPOFSPQKSRAHY-JOCHJYFZSA-N 441.463 0.744 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420430 IPFXOVWYIRIKOY-HXUWFJFHSA-N 428.424 0.508 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)cc2C1 1839621866 WWXHUYBIEDRWQM-OAQYLSRUSA-N 430.509 0.092 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839888348 IFUNFSOKOQKCRQ-SFHVURJKSA-N 427.404 0.367 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1)C(F)(F)F 1839893716 LHZIXVHODWQKOT-KRWDZBQOSA-N 430.383 0.674 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2)C1 1840039980 LDZKCQKXMLOUMS-KGVIQGDOSA-N 430.432 0.474 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840157471 QGODBDLKCNLQNW-IERDGZPVSA-N 435.546 0.533 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840162016 JJVAZQXNQJWCOQ-RBZFPXEDSA-N 434.518 0.667 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840483662 ZATVXSJIGHIOEO-NRFANRHFSA-N 425.445 0.178 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)ccc2F)C3)CC1 1843974548 BRBAPCOYZAKDFG-UHFFFAOYSA-N 427.480 0.678 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1845131975 NYMPLIKPQZOTEI-MRXNPFEDSA-N 434.537 0.975 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)C2)CC1 1845581772 FBHDIAHZNFVNDL-UHFFFAOYSA-N 449.515 0.416 30 20 ICED COCCN(C(=O)CN(C)Cc1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 106053427 PKAMVBSPAMVBNC-UHFFFAOYSA-N 442.520 0.758 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 434763270 DXAKRROTJSPXSX-QGZVFWFLSA-N 443.591 0.732 30 20 ICED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467288082 MGMNHGFGAUIYAL-LBPRGKRZSA-N 443.533 0.398 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C)c2=O)c2ccccc21 471982236 YDUIIPHGFISWED-UHFFFAOYSA-N 425.514 0.472 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 481031970 BQGVZDJKYDQTHC-UHFFFAOYSA-N 446.526 0.158 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486483102 BFZDOINYGFKBGM-SFHVURJKSA-N 433.534 0.772 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)cc1 504741205 JZIVJMFAIHXTFS-UHFFFAOYSA-N 436.534 0.936 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)C1=O 508064101 NULYXIPFVUTHMN-UHFFFAOYSA-N 429.433 0.314 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCCC(=O)OC)c1=O 512761379 AJLPNZQHRDTDCH-UHFFFAOYSA-N 443.529 0.205 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 516743816 LSIHTCOROZRVNW-UHFFFAOYSA-N 428.489 0.804 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 518216962 RYDOPLWWZDUDJZ-OAHLLOKOSA-N 428.536 0.341 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccc(F)cc3)c2=O)cn1 522390084 YFDMICBTZALSSG-UHFFFAOYSA-N 441.488 0.520 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccccc3)c2=O)cn1 523179581 XRAUVIYTTJHGKX-HNNXBMFYSA-N 437.525 0.770 30 20 ICED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 524281113 HCBAFCPJTZZMDJ-UHFFFAOYSA-N 444.469 0.430 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 525032469 QWWBAOHZPNGJDM-IAGOWNOFSA-N 427.548 0.993 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 533317812 BYGSIJNBNFGLTB-UHFFFAOYSA-N 437.504 0.374 30 20 ICED C=CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 533524974 ZFYKTTGMLGMQFE-OAHLLOKOSA-N 445.563 0.559 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c2)c1 538093589 GBJNXLMUSKFMHY-UHFFFAOYSA-N 436.424 0.513 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 548617078 AZUCAKIMYRTBLX-LBPRGKRZSA-N 449.435 0.105 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C2CCOCC2)cc1 579154685 LFBBWSGWVILKHL-QGZVFWFLSA-N 425.507 0.335 30 20 ICED CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588129059 ZXFICYVUVTUFHS-UHFFFAOYSA-N 440.548 0.436 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CC(=O)N(C)C 604270110 GAMPPUJUKFCBIH-UHFFFAOYSA-N 442.541 0.426 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCc1cccnc1 609038895 ZKQYYUNCQIYNGW-UHFFFAOYSA-N 438.484 0.944 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 610135089 QIFNVKKNNCFSSH-UHFFFAOYSA-N 428.536 0.186 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(CCC#N)CC3)cc2)C[C@H](C)O1 611176086 TZSSHFANZKZJBR-ROUUACIJSA-N 449.577 0.954 30 20 ICED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 619741454 AZOGFKAHCGFZFN-UHFFFAOYSA-N 431.522 0.843 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3ccccn3)c2=O)c1 726579620 KZPLLLCMOSQZFA-MRXNPFEDSA-N 444.516 0.929 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 728530817 UWBDMRDUNUHAJX-LBPRGKRZSA-N 441.351 0.523 30 20 ICED NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 729250959 QMLYCGTXPZPIGD-UHFFFAOYSA-N 447.448 0.108 30 20 ICED C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 734102808 KRQQNORZWXEUTD-UHFFFAOYSA-N 427.482 0.749 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)c3cnn(C)c3)nnc12 743645400 SDKVWUPOTMZDOY-INIZCTEOSA-N 439.501 0.906 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 744535398 UKFPQOVINUFUQX-HIFRSBDPSA-N 442.563 0.419 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 750256722 QEDRDGRZRQNLMW-UHFFFAOYSA-N 428.489 0.714 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 755556164 YFYQKEOUHYUNFM-GXTWGEPZSA-N 426.437 0.476 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(S(=O)(=O)CCCC#N)C2)CC1 757902437 CQBGEDUTLYUZMD-UHFFFAOYSA-N 436.556 0.187 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 761036829 DVQABJKARPOEMD-SFHVURJKSA-N 444.561 0.901 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CCSC)CC1 763464811 FGVRQRSVANSNOU-UHFFFAOYSA-N 445.614 0.278 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(C)c1=O 771889846 KYLYSAFHDBUVKT-UHFFFAOYSA-N 433.402 0.565 30 20 ICED C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1CCCO1 776226628 UGDAMXKJHOLMJZ-ZWKOTPCHSA-N 434.518 0.875 30 20 ICED C#CCCN1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 776594369 DROQQIVNAGTGKX-IBGZPJMESA-N 448.589 0.984 30 20 ICED CC[C@@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 781129591 QQSBTJXKTLVLLU-INIZCTEOSA-N 425.445 0.900 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCC1 784194343 PUYXURSAMRGEOW-UHFFFAOYSA-N 430.280 0.833 30 20 ICED CSCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794607890 MQPUJXJMVQFYGP-HNNXBMFYSA-N 432.571 0.895 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1=O 798593144 AVGRWDDUPCGPTK-KGLIPLIRSA-N 440.474 0.940 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 802723915 RTGNPLFFAASTSA-INIZCTEOSA-N 440.525 0.275 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 807545930 NEBXDTSNWIWWPH-INIZCTEOSA-N 445.524 0.889 30 20 ICED N#C[C@H](C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1nc(O)c2ccccc2n1 917131671 YAINEICOSLRIJV-MRXNPFEDSA-N 436.472 0.278 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C(=O)OC)CCCCC2)cc1 919048242 CPDBYISGOCFETR-UHFFFAOYSA-N 436.486 0.747 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)[C@H](C)C1 1301760340 SICQSILVRJISNY-OAHLLOKOSA-N 435.492 0.963 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(F)c(OC)c2)c1=O 1320166954 VHXWAUVSTMJXCG-UHFFFAOYSA-N 433.505 0.979 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)CC1 1320610109 ODTSCSAECSQCQJ-GJZGRUSLSA-N 441.579 0.831 30 20 ICED Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1492902322 RKAYSFKUENIGGO-UHFFFAOYSA-N 448.524 0.864 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1518214393 XCKPJTCUZKLDFE-LJQANCHMSA-N 440.504 0.659 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1548326196 KNRSMFPWZNUVRS-UHFFFAOYSA-N 437.570 0.926 30 20 ICED CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1611711311 MFZCOXBBZQMSRE-ULQDDVLXSA-N 439.586 0.737 30 20 ICED Cc1cc(O)nc(N2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1646361256 IQRASHVIFXRBBC-UHFFFAOYSA-N 430.490 0.314 30 20 ICED CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1708316181 VPRVUMQOEHEKKS-SIIHOXLZSA-N 425.559 0.226 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1712711344 JWSZOKUKVDYBBA-IAGOWNOFSA-N 443.533 0.613 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1COCCO1 1750966224 KEJTXGUIDZPVIH-KRWDZBQOSA-N 440.508 0.425 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1)C(F)(F)F 1780062769 QQMZSAXPZHOQEF-SFHVURJKSA-N 437.378 0.652 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780907117 JSAFXWKVPUFUNK-NIJIEXERSA-N 445.491 0.871 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)ccc1F 1781300585 AGPVTEXLXFRDIC-NRFANRHFSA-N 425.420 0.879 30 20 ICED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CCC1=O 1782192614 NDYXLHRTBKQDNY-QFIPXVFZSA-N 449.471 0.486 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783049812 USSNUOXPECPSDS-HSZRJFAPSA-N 448.564 0.686 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1)c1ccc(O)cc1 1783146417 CWWVOXRAHKYEGY-XXBNENTESA-N 427.501 0.855 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(C)n3)[C@H]2C1 1784220820 FUALFUGAANYFPZ-KQYWMXRHSA-N 426.517 0.771 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784340929 JNDNTTLAFTXSST-ULQDDVLXSA-N 438.525 0.811 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1785571526 DUMFUMSHUSYFSK-JLTOFOAXSA-N 449.533 0.898 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)n1ccccc1=O 1788600898 IFNAPICKSBQXSU-ZQGIJLCCSA-N 443.548 0.861 30 20 ICED CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)n[nH]1 1788677120 WVWOLUIHCAFCFQ-OXJAMOPTSA-N 427.461 0.918 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1789954747 CNTZOMMGORZFDM-FZCLSBEQSA-N 431.493 0.801 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)c1 1790750504 JXAHBHWZZRJYBV-CBVHJVASSA-N 449.504 0.868 30 20 ICED 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 1791073228 SXZWVEGJFKJFIE-UGUYLWEFSA-N 437.493 0.215 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217543 GMWOYJUYMMCLJD-YETHCIJASA-N 444.484 0.835 30 20 ICED 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)N(C2CCCC2)C1 1793777463 TWQBYHLAIILBFN-GOBLKYCHSA-N 447.576 0.940 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)c(O)n1 1794487779 NQBOZBSXYXLPKK-CCWDJLKJSA-N 445.520 0.380 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602609 SVFOUUZHZWAVQM-VXIBKDFQSA-N 429.521 0.720 30 20 ICED N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)c1cccnc1 1797783230 JANKFFWQCINZHC-SRYPRDQNSA-N 440.544 0.760 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797818016 GVQPVPZEUQXSGD-QIUKAFMCSA-N 433.509 0.782 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1798577495 QEBFAZZPAHDYHP-CCWDJLKJSA-N 439.476 0.103 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1Cl 1798589776 XBHQVSLAEXHWTD-IFOZYUSPSA-N 445.863 0.013 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694721 GEOJCQWKVUDCJC-KMOPNRPKSA-N 426.473 0.845 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCc1ccccc1 1800850162 NKSNVSZQVFCMHL-JHDGKUDLSA-N 430.501 0.459 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801513605 BZFOIHMTSDOCSF-TYRQUNGPSA-N 427.523 0.731 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)C1 1806003038 LXAWVLRPPLKCMU-KRWDZBQOSA-N 430.505 0.982 30 20 ICED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812389233 XUKQYYMWRCUFPA-MAUKXSAKSA-N 434.518 0.550 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC#N)sc2C1 1814503473 SWGHLHZMKWHDHC-IUODEOHRSA-N 429.506 0.829 30 20 ICED CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819843596 LFPTYUHTCOBACV-ZDUSSCGKSA-N 439.559 0.798 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203147 MITQBVRFVZJELX-MLGOLLRUSA-N 435.437 0.333 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)[nH]n1 1822205807 PXIMXNNEBUPUCW-ZDUSSCGKSA-N 442.388 0.260 30 20 ICED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825971774 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1831437750 HLEOMKSUQSHDNQ-KKSFZXQISA-N 426.510 0.623 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1832292732 GZAQMCORUQSQRD-QHCPKHFHSA-N 442.516 0.691 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832762504 FMDCOXDSHBHBFA-VGOFRKELSA-N 431.489 0.127 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1833477255 POZVSEGGLMLVRX-AWEZNQCLSA-N 448.486 0.828 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1833837474 CAXRZYAAENHINL-OAQYLSRUSA-N 443.891 0.590 30 20 ICED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1834621814 LJLOREHZOWNIDZ-UHFFFAOYSA-N 429.609 0.609 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075895 LQJYEELHAZBKQY-CQSZACIVSA-N 433.509 0.664 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2c1 1835356498 ARBPKYIUBKPHIO-QFIPXVFZSA-N 439.472 0.377 30 20 ICED COCCOCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732446 WTCOJWSTUBIPJX-HAVVHWLPSA-N 437.585 0.693 30 20 ICED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)O1 1836611591 QMZRYZIXIICYBN-HCLVMJGWSA-N 443.500 0.961 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837136251 HIKDROVNTAAUFS-OAQYLSRUSA-N 426.429 0.195 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1837398991 LFLOJOKMDNPNQL-WZONZLPQSA-N 446.548 0.791 30 20 ICED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491686 UNBQUUGEOUJCND-OAQYLSRUSA-N 448.545 0.615 30 20 ICED O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562784 PMXPPVWMSYHDEY-HPARJBSBSA-N 441.488 0.578 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1837797358 HQVTZSQGWMVXLG-HXUWFJFHSA-N 440.416 0.573 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838088400 JGAYWZYUAWSZNC-QHCPKHFHSA-N 435.484 0.969 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1 1838315205 LEDDYAUPSNOLGE-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)OC)CC2)CC1 1838642322 BBVPDVFUNVCGKA-UHFFFAOYSA-N 439.509 0.850 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1838740829 XAWQQBGDWBUOOF-OAQYLSRUSA-N 440.460 0.085 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839874830 DOWNWHDGEOIAOK-GAJHUEQPSA-N 442.516 0.472 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840293704 QDIPIDWSGHQVNG-JOCHJYFZSA-N 425.489 0.993 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196920 CTTCYRGALCVKAZ-VBKZILBWSA-N 435.477 0.038 30 20 ICED CC(C)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NC(N)=O 18662267 IXVDQGXGLLHWFL-MRXNPFEDSA-N 436.490 0.722 30 20 ICED Cn1c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C#N)c(=O)n(C)c1=O 301170442 WYIJHGWXTWXAID-UHFFFAOYSA-N 432.278 0.681 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 427587958 QUAQKRIYMSQISE-LJQANCHMSA-N 446.533 0.587 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 430391672 GVVTZQOJJRJATD-PXNSSMCTSA-N 444.536 0.059 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 430477352 ZIHXPPDFAWKZIA-WCJKSRRJSA-N 438.488 1.571 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)C1=O 433315257 BATVKTBVHHQBJV-UHFFFAOYSA-N 428.445 0.853 30 20 ICED COc1cc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)ccc1NS(C)(=O)=O 446710469 FWBYGBBYPWUADD-UHFFFAOYSA-N 434.478 1.467 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 460602506 SZUGYSWXDBYQRI-KRWDZBQOSA-N 425.493 0.859 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)n(C)n1 464118482 GRNXQERQGULHNW-INIZCTEOSA-N 430.490 0.456 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(C#N)cc3OC)C2)cc1 464206032 FIJUNFBOVQJUKX-UHFFFAOYSA-N 437.499 0.927 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 467604741 HWVUDSCVDWWXCJ-LWYCJPLVSA-N 435.531 0.291 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 479914224 NZINMUSKZVDOKJ-NSHDSACASA-N 438.487 0.520 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 486830293 YCFPAIABHFOIDF-AWEZNQCLSA-N 442.501 0.068 30 20 ICED COc1cc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc(OC)c1OC 487682707 BVNGBCLGKQGWMP-UHFFFAOYSA-N 429.477 0.304 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)cc1 488061465 ZHPBYFBOJVLCIR-UHFFFAOYSA-N 443.550 0.313 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2=O)cc1 503936196 IWVBZHLBVIFIJA-HKUYNNGSSA-N 426.521 0.940 30 20 ICED Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 505671161 VGARYBXQURSLIL-INIZCTEOSA-N 446.467 0.738 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 508227389 TXFOHKGUQRSHHI-INIZCTEOSA-N 437.522 0.863 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 523476551 VRQXVDCUYQCMFD-UHFFFAOYSA-N 443.525 0.745 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)cc1 524805365 XHGYZANHORRKIH-UHFFFAOYSA-N 438.550 0.395 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCCO1 536086151 BJXKZMQVWHRJPW-QGZVFWFLSA-N 442.541 0.448 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 550696236 GGUMSHLHBXKEKK-ROUUACIJSA-N 444.532 0.966 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)n1 551029350 XZKNOMANIPRXQL-UHFFFAOYSA-N 433.516 0.778 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cc(Cl)ccc2OCC)CC1 580737873 PLIKDCPCDMNCGU-UHFFFAOYSA-N 436.940 0.844 30 20 ICED CNC(=O)C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 582506515 IALWQSOCQPZJDT-UXHICEINSA-N 447.495 0.769 30 20 ICED CCN(CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587659665 WOXZXFDEQGXLDZ-FQEVSTJZSA-N 442.564 0.998 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)nc1 608992124 VPCLUPNFMXEQAE-UHFFFAOYSA-N 425.493 0.054 30 20 ICED N#C[C@@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCO1 609269349 XXZLNAGFSDJWGX-CYBMUJFWSA-N 432.458 0.326 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610239788 BRUWYZWLDLHJTJ-CQSZACIVSA-N 445.549 0.756 30 20 ICED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCOc2ccc(C#N)cc2)cc1 611644403 CPABGRYUWKPHMI-UZLBHIALSA-N 445.497 0.886 30 20 ICED C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 673734657 HNVQMQNCTWVMDZ-HNNXBMFYSA-N 432.502 0.812 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 726401732 RWGDWQBISRGZOO-SWLSCSKDSA-N 431.518 0.864 30 20 ICED CCN(CC)CC(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 728905810 WZHKKKBTQOKFMV-QFIPXVFZSA-N 426.521 0.769 30 20 ICED COc1ccc(-c2noc(CCC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)n2)cc1 732908294 IRIOGZPRROHKPA-OAHLLOKOSA-N 432.458 0.644 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1 734564946 FXODYBPWUOBJSO-IBGZPJMESA-N 446.485 0.520 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C(C3CC3)C3CC3)c2=O)cn1 734827490 GRGQTOUDIBYFBO-UHFFFAOYSA-N 439.541 0.366 30 20 ICED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 742654555 JNKWZSWRNCEZTN-SFHVURJKSA-N 425.463 0.490 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C)c2=O)cn1 743728005 ZXGUUMBBONTZAX-UHFFFAOYSA-N 438.465 0.404 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746665249 ZQOCHGUITMUQCG-PGMHBOJBSA-N 445.567 0.949 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 747262244 PRZDFGNMHZSOIG-UHFFFAOYSA-N 444.351 0.822 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 750566449 IHQCXTMTMDGZKW-UHFFFAOYSA-N 430.486 0.159 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC(F)F)c1=O 758091236 UWCAJXWAOCXDHK-UHFFFAOYSA-N 433.436 0.410 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 759950319 HTCRSCMGBQUDNY-MPUISCFQSA-N 443.551 0.784 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[S@](C)=O 766646620 UIROGUNNCWTYDU-SRBIXLKPSA-N 442.563 0.711 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 769248340 QBWIPCVWIIFTQN-UHFFFAOYSA-N 438.506 0.032 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)s1 770993204 SYDDRDICLXNCAE-GFCCVEGCSA-N 434.565 0.016 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)n1 774244930 ZOTJMHLDICWAJL-UHFFFAOYSA-N 446.480 0.829 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c1 780404359 ACCJAZWQYGECPK-MJGOQNOKSA-N 445.472 0.686 30 20 ICED C#CCOCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 784594650 FXKNNQMSAMNHNR-UHFFFAOYSA-N 436.271 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(OC)n2)c1=O 790427674 JRMGBBXEMOKTKG-UHFFFAOYSA-N 426.523 0.025 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 796139236 DMSFINUFOXGQNP-UHFFFAOYSA-N 446.942 0.812 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1 797388771 YZCZHNXKKVZSTJ-OMNSNBSWSA-N 435.506 0.162 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1=O 799177138 ILHJKRQOTVGMQQ-IIBYNOLFSA-N 429.477 0.212 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800785529 SMSHTAGVKVWFSS-UHFFFAOYSA-N 425.559 0.409 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)nc1 808798856 UQKLYJRFMJAQQC-UHFFFAOYSA-N 442.501 0.338 30 20 ICED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cncc(C#N)c3)C2=O)cc1 813980270 YIZVDRFZGGNEFK-LJQANCHMSA-N 427.442 0.534 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 839245899 VWBPPFFXHXZQIB-UHFFFAOYSA-N 437.525 0.152 30 20 ICED COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 917038829 UFSXIIMZCAEZQF-HLLBOEOZSA-N 433.486 0.056 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 918803777 DOKRMGOHDCPOAO-AZOIQLNYSA-N 439.534 0.883 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1248693334 NUDAXYCUASECMA-UHFFFAOYSA-N 435.483 0.698 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1297696414 LKNOROBMKOCDHB-UHFFFAOYSA-N 446.533 0.546 30 20 ICED CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1302808833 RLUVMPPZTXHOCK-OAGGEKHMSA-N 427.575 0.593 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCNC(=O)C2CC2)cc1 1316534207 SARNLXSIPUKDQI-KRWDZBQOSA-N 437.504 0.957 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cn(CCC#N)nc1-c1ccncc1 1344074258 CPAOROCDTQNWJK-GOSISDBHSA-N 430.534 0.984 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1494252632 JXCUQYPORHOPHZ-FOIQADDNSA-N 431.518 0.982 30 20 ICED N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1521138143 ZGTOZEBPRISGRE-XLIONFOSSA-N 431.518 0.342 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539577765 OPKHUDRKNWIJSJ-GFCCVEGCSA-N 427.303 0.374 30 20 ICED CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1=O 1547623420 RWESQHFIJGTVRI-UGSOOPFHSA-N 437.501 0.560 30 20 ICED CCC[C@H](C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1614346775 JJWUMNXPXSOFIQ-SUNYJGFJSA-N 443.549 0.883 30 20 ICED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)CC 1616922915 RHXFVBQOGJJHOU-OAHLLOKOSA-N 427.513 0.670 30 20 ICED CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)C1 1692853081 MQYUWXVISYAYGT-HZPDHXFCSA-N 438.554 0.776 30 20 ICED Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1693331300 NWQBUOLQICMOGN-OCCSQVGLSA-N 439.567 0.933 30 20 ICED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712887045 RFDNJMBVURSIMN-IBGZPJMESA-N 436.538 0.194 30 20 ICED CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1722758964 ODAUNZQWJWWZNU-UONOGXRCSA-N 425.559 0.885 30 20 ICED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749267383 RQESRYFQPDWDKI-CQSZACIVSA-N 430.900 0.802 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1762413419 KEMSEEOCFRZIKF-HUUCEWRRSA-N 428.559 0.758 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105411 KCAVHMMATZGQFV-LYBQEQRRSA-N 432.477 0.567 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)n1cnnn1 1779446323 DEXHVGOQTWZBNN-QIYFCSLDSA-N 429.481 0.460 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1780169277 PEAMCNQUMQRNED-VFNWGFHPSA-N 449.529 0.691 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294683 NWIKRZVVEXNAJW-UGKGYDQZSA-N 430.480 0.984 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1781694114 KGAYQQSVFQHQGW-NRVIRDBHSA-N 435.521 0.504 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1781791716 IWPSOUCNURCDSF-LJQANCHMSA-N 438.406 0.875 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782054643 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C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)CCO2 1839738544 YPNKSPOPIQUFTE-KZULUSFZSA-N 426.395 0.233 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840176422 IQGVXRZWSCNLBF-REWPJTCUSA-N 447.507 0.905 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C(/C)C(=O)O)CCO3)C2)c1 1840837950 KXPHXQGWTDFCIM-FNYDLVFWSA-N 443.456 0.668 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880229 DEKGKNMHTYVYOQ-LWQICCLCSA-N 431.445 0.577 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881311 OVAZYAZVPTUEIE-JBBWMNLRSA-N 438.502 0.591 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1840885527 MWAGKMGXUZWVRL-IERDGZPVSA-N 441.525 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccco2)C1 1844343625 AUBYTLSQKIHGLI-BQYQJAHWSA-N 427.505 0.937 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@](C)(O)CN2C(=O)OC(C)(C)C)C1 1846229659 PIUZJTHXGITAGM-JLHGSKIFSA-N 449.548 0.989 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1847080886 NIVJRUPTHWVVFM-IVZQSRNASA-N 446.552 0.499 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429601792 AOKQXCGZCRWOIT-ZFWWWQNUSA-N 438.506 0.378 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Br 432876204 ITODBHCAWGWRHQ-UHFFFAOYSA-N 441.307 0.432 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)NCC)c2C)CC1 434936434 HCKQFYGBSLXOJC-UHFFFAOYSA-N 430.509 0.521 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(F)(F)[C@H](CO)C2)CC1 463225146 OQEPMYCUEOFTLD-INIZCTEOSA-N 442.488 0.341 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 464977532 DITKTNRBQIHVPR-KRWDZBQOSA-N 444.517 0.533 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CSc1nnnn1CC(F)(F)F 465278364 SRVVUFUWMGXCNR-SNVBAGLBSA-N 427.416 0.726 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 484641377 JKJVIHBKMFSQJQ-UHFFFAOYSA-N 427.551 0.943 30 20 ICED Cn1c(=O)oc2c(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cccc21 488656789 GKCFEGNSQDGMTA-INIZCTEOSA-N 433.424 0.859 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 491336363 VEMOZLSETLWYFL-UHFFFAOYSA-N 431.456 0.991 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)cc1 502052958 PWEQPOGIWJNMQU-UHFFFAOYSA-N 443.916 0.552 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1nnnn1-c1ccccc1 502114807 FYEONKGWBQYELF-HNNXBMFYSA-N 431.460 0.455 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cnn(CC)c1 505665271 TVMYMHAGVUSOEO-UHFFFAOYSA-N 439.545 0.577 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCc1ccccn1 512743474 XLRLMROQVDLKHA-UHFFFAOYSA-N 436.541 0.793 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c2ccccc2O1 513042463 RHGWPHOQPDCVIA-NQIIRXRSSA-N 447.495 0.763 30 20 ICED CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 520874862 LWVCSFSSTNWGNH-GOSISDBHSA-N 434.456 0.445 30 20 ICED N#CC(C(=O)c1ccc2ncccc2c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 526038360 OPCJPJJOXVBXTB-UHFFFAOYSA-N 441.472 0.724 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 533058463 LVKBVTZYVZPOSS-PMACEKPBSA-N 434.562 0.638 30 20 ICED C=CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533524512 SPEMTYFXMAEQRW-JKSUJKDBSA-N 446.616 0.939 30 20 ICED CN(C)S(=O)(=O)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 553302431 FJOXNFJXBMRPGC-UHFFFAOYSA-N 437.501 0.252 30 20 ICED N#Cc1ncn(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 553503780 LBZKQGSJXVZTSK-HNNXBMFYSA-N 433.450 0.418 30 20 ICED COCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C 558039957 AJHHLAUDNFYDMN-FUHWJXTLSA-N 431.512 0.961 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 562847843 QMUKWTQBNMSRKY-UHFFFAOYSA-N 431.468 0.100 30 20 ICED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 567388150 GTJMZJXUOBECPV-KEYYUXOJSA-N 434.518 0.450 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 570297281 WEZVNUFUEKWHSG-AWEZNQCLSA-N 442.501 0.127 30 20 ICED N#Cc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 572629052 DLZGRFRYFNLXRN-UHFFFAOYSA-N 431.474 0.509 30 20 ICED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 574659984 ONHXVDIGLSUKPP-UHFFFAOYSA-N 441.513 0.463 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)ccn1 577401995 SDVPWMVZNUWCLO-UHFFFAOYSA-N 434.460 0.729 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)nc1 585774299 QVPHHMWIRKGMFO-UHFFFAOYSA-N 426.521 0.993 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 588123999 RNVKGMZHDCYNNL-UHFFFAOYSA-N 430.484 0.013 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 608828498 YHEOSYBCMNCGAW-UHFFFAOYSA-N 447.520 0.812 30 20 ICED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610483737 DOSCAMIVXNFKHF-UHFFFAOYSA-N 425.511 0.417 30 20 ICED NC(=O)CCNC(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 728549813 NNZOMVCFMPAVOT-UHFFFAOYSA-N 443.485 0.359 30 20 ICED COc1ccccc1C(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466824 RKEAVDLMDGIODT-HNENSFHCSA-N 427.461 0.689 30 20 ICED CCCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909986 IMPQOYDCJYWSAW-SJLPKXTDSA-N 431.514 0.958 30 20 ICED C=C(Cl)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 737224711 LCVMKFORUCRUEZ-UHFFFAOYSA-N 431.898 0.913 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 746455155 LYYDWCVGUWJGGU-UHFFFAOYSA-N 435.506 0.874 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746565880 KQPCQAXOLXSUQI-UHFFFAOYSA-N 431.470 0.956 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 749381060 OLEZONXMFHMOAX-NRFANRHFSA-N 441.507 0.638 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 749667667 WAZDBWJARWJBIG-HDICACEKSA-N 443.548 0.685 30 20 ICED Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 765145560 JRUOFSQZAKJYCQ-UHFFFAOYSA-N 427.511 0.837 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(Br)c2)CC1 766936227 FNOYRPVNYOOIGJ-HNNXBMFYSA-N 430.324 0.748 30 20 ICED CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 769579061 QHXZAORLQQKGRX-ZCXUNETKSA-N 436.415 0.888 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(F)c1 771201547 KIDNIXBZWVRUIJ-UHFFFAOYSA-N 441.444 0.929 30 20 ICED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCCC(C)C 771889310 ASEKRRULAWOJJZ-UHFFFAOYSA-N 438.506 0.830 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc[nH]n1 772541701 QCUXZBXYMMKIPI-QGZVFWFLSA-N 438.444 0.877 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CN(c2ncccn2)CCO1 774626558 JPVMJXXYPOBODA-GDBMZVCRSA-N 431.474 0.464 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)NCc1cccc(C#N)c1 775908897 CZPJQFVMOKSRAJ-UHFFFAOYSA-N 433.442 0.696 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(C)c2OC(F)F)c1=O 777945573 MJLUWHHFYVCZSI-UHFFFAOYSA-N 447.463 0.719 30 20 ICED CN(CC(=O)NS(=O)(=O)c1cccc(F)c1C#N)C1=NS(=O)(=O)c2ccccc21 781598203 RIGBGUIJIYJBJD-UHFFFAOYSA-N 436.446 0.583 30 20 ICED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782599943 FLXHUUKCVFDNJL-UHFFFAOYSA-N 439.335 0.780 30 20 ICED CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 785118366 ZURBHQQEHUNDRJ-MUNYZGMTSA-N 440.522 0.030 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3c[nH]c(C#N)c3)CC2)cc1 786906244 HFFUCGIBEIKBPX-UHFFFAOYSA-N 446.485 0.975 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1cc[nH]n1 789956286 FOLAYPJREJQNFY-IBGZPJMESA-N 428.405 0.387 30 20 ICED N#C[C@H](C(=O)c1cn2ccc(Br)cc2n1)C(=O)N1CCS(=O)(=O)CC1 797023890 MJYZVRZLYXZWFQ-LLVKDONJSA-N 425.264 0.676 30 20 ICED CC(=NNCCCN1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 799486812 PNSXTWRLPLMHSC-UHFFFAOYSA-N 432.568 0.448 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801506730 UIVZCHDCLKPGGG-ZDUSSCGKSA-N 441.481 0.526 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC3CCCCC3)CC2)CC1 803142260 BCBIFSCJMHCQNS-UHFFFAOYSA-N 433.597 0.594 30 20 ICED COCC[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 809015737 NDCAYSGASCLZQE-IBGZPJMESA-N 440.497 0.727 30 20 ICED COc1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)ccc1OCC(=O)NC(C)C 813983525 XTCQKPBFYVBIEA-UHFFFAOYSA-N 432.458 0.984 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOC 838166841 JPJHMDJVMIDGMP-UHFFFAOYSA-N 431.514 0.603 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCOC 916200921 VMGUARAQORZSFN-UHFFFAOYSA-N 433.505 0.741 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1 918607771 BVPPKLRSRPUOQU-KNTRCKAVSA-N 428.536 0.864 30 20 ICED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 918775590 QBFDRMGWIYOEJD-WMLDXEAASA-N 437.474 0.518 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(=NNc3ccc(S(N)(=O)=O)cn3)CC2)cc1 920372507 OCLSENKVLBSBHG-UHFFFAOYSA-N 439.519 0.990 30 20 ICED C[C@@H](CCN1CCN(C)CC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255096107 QFFFLJJIRUTVGS-LPHOPBHVSA-N 426.521 0.905 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@@](C)=O)CC1 1288820518 ZXHGIPAVRXXLSC-JGTBNHKDSA-N 428.584 0.929 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1503818324 MVQXABWPBRYJBX-UHFFFAOYSA-N 427.509 0.633 30 20 ICED Cn1c(=O)[nH]c(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c1=O 1611842539 NCDBOLIBNVSQKW-AWEZNQCLSA-N 446.508 0.241 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1706832618 QSONSSUECXKRDI-HNNXBMFYSA-N 446.533 0.545 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1724012389 WPQLWWHMVDFZAB-YVEFUNNKSA-N 430.481 0.692 30 20 ICED CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729345701 QJXXDLNHTSHRKC-SFHVURJKSA-N 444.565 0.332 30 20 ICED CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743883171 QURMBMMLXRRDTC-AEFFLSMTSA-N 442.568 0.995 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1761474234 YCNGRFZXMXIEOM-DZGCQCFKSA-N 444.583 0.453 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3cnn4C)C2)C1 1778024216 FVNYHBZVLADXHY-YLNCNTMDSA-N 437.500 0.875 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114028 HODSLUBXQJZAMB-IBGZPJMESA-N 426.539 0.038 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115654 ZJPCUEZWZZSJJK-OXQOHEQNSA-N 443.566 0.079 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1778971896 NXEIJJUQDNRCQE-MBSDFSHPSA-N 427.501 0.947 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3cccn3)nc2)C1 1779814821 LHSHPUDWKXJUEQ-VGOFRKELSA-N 437.456 0.483 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1)n1cnnn1 1780192660 DUWLTHCJPDWTAT-ORAYPTAESA-N 429.868 0.903 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cncn1 1782530487 UYGAUZTWTNFUEO-MAFIZMGBSA-N 448.524 0.882 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)n1cnnn1 1782603950 VOCGADKJMSTILR-QEORTHCHSA-N 432.529 0.220 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(O)Cn3cc4c(n3)-c3ccccc3CC4)C2)C1 1782873992 CDFPHNLENZXUGE-LOSJGSFVSA-N 448.523 0.863 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)cc1 1783602947 ICYHWJIVGBCTIZ-BJLQDIEVSA-N 436.468 0.793 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783641065 APZXJDJDBOEJCY-IWMITWMQSA-N 436.509 0.490 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21 1784479971 ONNOPJFOFHQWFD-GIUOSPMZSA-N 437.500 0.899 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328314 AJSSPDDIYRPXAM-RMRKRWHISA-N 429.477 0.276 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1785378500 GCNIJRLOIZZGSY-OAQYLSRUSA-N 425.445 0.701 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccc(O)cc1 1785631774 JGMIKLPSZOYLSG-VGSWGCGISA-N 428.489 0.387 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccnc4C(N)=O)C[C@@H]32)c1 1789508689 XYADGZWCMMJLLO-WDSOQIARSA-N 433.468 0.959 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCc3ccc(OC)cc3)[C@H]2C1 1790653442 GGUDSEWMZOZCQU-IHPCNDPISA-N 427.501 0.705 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)c1 1791985210 XWRJQCJIUWCOPI-HVRBKMHZSA-N 441.532 0.500 30 20 ICED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1792183561 KMHHEQYYODSKOZ-VJANTYMQSA-N 435.569 0.553 30 20 ICED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1792493534 HXFCZBYBMMIZIF-IZZQQSIFSA-N 441.594 0.299 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1)n1cnnn1 1792837353 JBPTXUKVNFYIMQ-AMVTXUCVSA-N 428.880 0.529 30 20 ICED Cc1ncc(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794317751 FZDASQTUJSYGBR-DPIQGUFMSA-N 436.262 0.444 30 20 ICED 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 1795895086 OBTCRSTUPYFUJJ-IATJYDTKSA-N 443.566 0.265 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1797710853 NUAOIOXBRMEEIM-SFVXARGXSA-N 445.516 0.919 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1797741258 VAMFPLFONXNVLQ-POYFCOPNSA-N 429.477 0.485 30 20 ICED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)c1 1799281897 YFBDGOGVGGQGTG-MUJYYYPQSA-N 425.445 0.370 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2 1799302475 BLEYEZPJGNWXGX-CWPLJXCYSA-N 430.505 0.860 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1c[nH]c2ccc(F)cc12 1800843029 ZQMVQKBURPVWDA-YEZVWNJWSA-N 427.432 0.917 30 20 ICED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1801032189 IQXIHSVAMDNYDX-AXVVYFOYSA-N 433.530 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1 1802482442 NFMCHYQHYJKOIX-HMHWDUBWSA-N 449.511 0.808 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812534520 GTAHYKGUBLPJOD-BXWFABGCSA-N 443.504 0.489 30 20 ICED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1)C(F)(F)F 1819890701 KXWRPDYSUHMZTE-BMIGLBTASA-N 434.440 0.824 30 20 ICED Cc1cc2nnc(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)c(C)n2n1 1825667799 QNJSPWVLIHNWBT-NSHDSACASA-N 439.457 0.511 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1828809985 GHTNGLLVKIPCAN-NRFANRHFSA-N 442.476 0.020 30 20 ICED O=C(Cn1cnnn1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828974588 RNIOXNCLSMIYON-NXOUIPOBSA-N 433.513 0.822 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829905768 LTHWVUNLRCWVEV-FDDCHVKYSA-N 428.533 0.897 30 20 ICED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cc2ccc(C#N)cc2)CCO3)cn1 1829907677 OOEYYCMFDYTABJ-HSZRJFAPSA-N 437.500 0.533 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(O)n1 1830576781 JMMZJWFHMNYZSN-KOBHVQJXSA-N 445.516 0.747 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1831388489 YXUUIMPUTXBLIB-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1831388507 UHLDJZGMQHSBIG-QSNWEANLSA-N 436.505 0.070 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831391952 HCZOPDRDVXFTKB-HXOBKFHXSA-N 444.484 0.566 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1831392414 DJUZDJOMLFOMDO-BAIPJPNRSA-N 427.501 0.777 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1831401748 DTPFSZKOEYIOHP-GCJKJVERSA-N 432.521 0.466 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1831437748 HLEOMKSUQSHDNQ-IERDGZPVSA-N 426.510 0.623 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831438374 OWRJPNXYXVYNQN-FDDCHVKYSA-N 443.500 0.985 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1832453303 STGPCFZEIDMETG-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 1833074227 APRIHNYBVIEKLU-PLNGDYQASA-N 445.608 0.758 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1833439691 SDXDVXVLQGKOKH-UHFFFAOYSA-N 441.532 0.888 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833864275 ASRMIALWIMMZAJ-QFIPXVFZSA-N 439.472 0.684 30 20 ICED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767152 DTLXUGVMRJZUTJ-VRMLFSPKSA-N 447.540 0.529 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835779203 XQGOBKPPGSHRON-OEBVFIGYSA-N 446.552 0.717 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)N1CCN(C)CC1 1836372747 YSGCGRPVOCJPDJ-GOSISDBHSA-N 430.597 0.498 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974129 OSJMIUXDOWESRE-VGSWGCGISA-N 430.505 0.328 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1837395135 QGWAGACBFPBVQL-VGSWGCGISA-N 448.520 0.518 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837403556 NNXUZNUEUIGWEW-XXBNENTESA-N 442.516 0.977 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837430399 OMETUTDXLXLECV-OAQYLSRUSA-N 448.596 0.370 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837524662 LIPSWXJHXJYWQO-NGPKUFNOSA-N 432.477 0.681 30 20 ICED CC(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525284 LNCYZCPNQYYOLN-FLPAMXLZSA-N 427.498 0.397 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837660258 NMECJQULWIUSFD-JOCHJYFZSA-N 430.505 0.157 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1837667199 LQEWFGXYJBSSAD-OAQYLSRUSA-N 440.610 0.919 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352016 GZFHFTRQADYADO-SFHVURJKSA-N 426.420 0.767 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363142 KVOYRSWERGVPBT-UVDDSOTQSA-N 447.557 0.981 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1)C(F)(F)F 1839892906 JHXBNXLKSURPER-RDTXWAMCSA-N 435.443 0.866 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)CC1 1839898029 ANZNTBOCZXBRQN-HNAYVOBHSA-N 425.482 0.197 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1840042429 VDBFNUKMZFGQKL-GOSISDBHSA-N 441.362 0.258 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840158573 NWTFSBVDNKQLRE-BPXKWBHBSA-N 433.574 0.818 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840163619 LERYJSRCJVRGCG-QRWLVFNGSA-N 437.566 0.107 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840292907 SIBUUBLECLEGJF-QFIPXVFZSA-N 428.489 0.444 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840817996 FCUKFRHSVBAAII-REWPJTCUSA-N 443.500 0.963 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840820633 BIJXOQKGHAIOPW-LANGDILFSA-N 441.484 0.286 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302960 YDIBUFDZZIXSEY-PGNNWUFWSA-N 447.448 0.489 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847789594 XQQBFFINFILDID-PVAVHDDUSA-N 434.518 0.467 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1 110839448 XKJMGDNQQMNSFK-UHFFFAOYSA-N 428.470 0.456 30 20 ICED COC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 439279784 UPPVZGPACVNWSK-SJLPKXTDSA-N 436.534 0.127 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 443030531 YINBNIHKZUXDRH-CYBMUJFWSA-N 431.488 0.624 30 20 ICED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446512544 MYOLSJAUIOPTFJ-KGLIPLIRSA-N 425.532 0.885 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 446527833 RWYCBEBOIGSOFI-UHFFFAOYSA-N 431.468 0.965 30 20 ICED CCS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 447360477 VDDXWORVOZBEGT-UHFFFAOYSA-N 433.465 1.247 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 465134798 XHPALTXAEXDYFB-OAHLLOKOSA-N 439.501 0.578 30 20 ICED Cc1cc(=NC(=O)CN(C)c2ccc(C#N)c(N(C)CC(=O)N=c3cc(C)o[nH]3)n2)[nH]o1 472354346 ILKIQQHQRGFGOS-UHFFFAOYSA-N 438.448 0.540 30 20 ICED COCCOc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472875103 ACYRZBNXODANEB-UHFFFAOYSA-N 426.477 0.913 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 476075809 UHRSFJCRFKKUGN-CHWSQXEVSA-N 429.485 0.450 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)s2)c1=O 477023121 WSTCDOHXYLNRIW-UHFFFAOYSA-N 447.538 0.715 30 20 ICED CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 478135925 PSABNLUZZCZDPS-HZPDHXFCSA-N 440.460 0.955 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1cnn(CC)c1 479362251 DDAXDIIVJJWRBO-UHFFFAOYSA-N 436.497 0.324 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1Cc1ccon1 480954190 NHDMSKRPMWUEMK-UHFFFAOYSA-N 428.470 0.715 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1=O 500014420 ALPZIYMDJGSMSJ-YLJYHZDGSA-N 442.516 0.216 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 501846174 WSUNGRKNDFPDHE-AWEZNQCLSA-N 443.485 0.310 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 505664199 RWSHMVYBCVPUTN-UHFFFAOYSA-N 426.502 0.407 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCCOC2)O1 515856311 QZGRAWLURYEFBW-ICPLQIHGSA-N 440.500 0.572 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 521497532 JQZISGTXVXOVMN-MOPGFXCFSA-N 437.500 0.783 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(N)=O)c2=O)n1 526037954 GEVKVWCRVRGGCR-UHFFFAOYSA-N 428.514 0.697 30 20 ICED Cn1cc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2=O)cn1 537167284 AWLABOSSIYACJE-QGZVFWFLSA-N 427.534 0.539 30 20 ICED C=CCNC(=O)CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 540798930 PJEITEOSDKHQKK-UHFFFAOYSA-N 431.518 0.575 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)n1 546910051 FQBKYDAGJZZNCY-UHFFFAOYSA-N 446.467 0.890 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549265807 LMFNKWDMRZPEDI-QWHCGFSZSA-N 438.514 0.294 30 20 ICED COCCn1nnc2c1CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 549797633 MEVIQXJZHSAPLI-SFHVURJKSA-N 429.550 0.753 30 20 ICED CC(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 558050753 IJXPJQJNBIIFRS-SFHVURJKSA-N 425.489 0.497 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c1 562253018 MINTYGMYWDFTLU-UHFFFAOYSA-N 447.517 0.598 30 20 ICED C=CCN(CCC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 562863741 BOURHVCXQUBYGK-HNNXBMFYSA-N 436.490 0.298 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 563566185 SLZIREPSRCUEJX-UHFFFAOYSA-N 445.526 0.605 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCc1cccnc1 564630393 UNXJOTJHLWEHTM-UHFFFAOYSA-N 438.484 0.944 30 20 ICED CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576705495 GZMVUDQVDJDIOY-KGLIPLIRSA-N 426.433 0.647 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(CC(N)=O)c1=O 582280608 DHDKBCSFKNDFOY-UHFFFAOYSA-N 425.445 0.137 30 20 ICED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654985 WMKNRYOJUUDWGD-AEFFLSMTSA-N 426.521 0.801 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)cc1 609432525 WFHFSKMRRSJBBN-LJQANCHMSA-N 440.481 0.902 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 729031380 HBNSQRLNYKAAHN-UHFFFAOYSA-N 443.481 0.557 30 20 ICED COc1cccc([C@H](C#N)NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1OC 729429271 JJMCOPUHFFOEFX-ZDUSSCGKSA-N 446.441 0.640 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730252022 LMNBVPYWZGEBNT-UHFFFAOYSA-N 446.485 0.501 30 20 ICED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 732483401 JEVXOOOSAHSBCC-IHLBYEDJSA-N 449.533 0.423 30 20 ICED C[C@@H](CC(=O)NCCS(=O)(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742530332 XJLSIWYFGUQTSK-LBPRGKRZSA-N 430.552 0.338 30 20 ICED C[C@H](CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742680563 RGRHAAYJTMUJTP-IAGOWNOFSA-N 433.578 0.742 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C 745540052 IFIGPSBCZXYXMX-CHWSQXEVSA-N 426.495 0.923 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCS1(=O)=O 766360907 GTFNNGSEBKKAPD-HIFRSBDPSA-N 427.548 0.833 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1 771071331 LYSOXOCVQQVBLY-UHFFFAOYSA-N 442.519 0.405 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CN(S(C)(=O)=O)C1 779330872 FBHQYZDPAWNXLX-OAHLLOKOSA-N 442.563 0.292 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)CN(C)S(C)(=O)=O 786616627 MREQDFLJUCFFLN-HIFRSBDPSA-N 445.563 0.963 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)n1 788312037 BAHBUTCDNLSNDU-UHFFFAOYSA-N 439.516 0.644 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 793130190 QUMDWBHGYFFDFQ-UHFFFAOYSA-N 439.494 0.317 30 20 ICED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 802448030 VTOLJWGEDFHIOF-UHFFFAOYSA-N 437.504 0.734 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 803106297 UTDRCUUTVUKJKM-GXTWGEPZSA-N 448.505 0.716 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)C1 807109239 DJBXTHCSWDXCHX-ILXRZTDVSA-N 429.543 0.811 30 20 ICED CS(=O)(=O)CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 808176653 KESJHJRYCYRIMI-QGZVFWFLSA-N 432.502 0.205 30 20 ICED C#CCN(C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 818595708 KNDXJRGRIVVDFP-OAHLLOKOSA-N 425.507 0.681 30 20 ICED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 824975893 JRJNMKGISLYMRY-LJQANCHMSA-N 447.448 0.406 30 20 ICED C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCCCC1 914651861 CLQCFAMDEZHDOQ-KKUMJFAQSA-N 425.507 0.296 30 20 ICED Cc1cc(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)o1 918356211 JOJCNAALQAPSCM-UHFFFAOYSA-N 430.486 0.920 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)COCC(=O)NCC(=O)Nc2cccc(C#C)c2)c1 918653717 MOFZMHRKLYDVSS-UHFFFAOYSA-N 446.463 0.475 30 20 ICED C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1143803586 XHNRKKULBYUHOR-FZMZJTMJSA-N 432.424 0.895 30 20 ICED C=C(Br)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1300863149 JLSSOMFWFXMGDG-DYVFJYSZSA-N 444.330 0.790 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H]2CCS(=O)(=O)C2)C1=O 1317818402 WNNKWVPYPQAHNC-LSDHHAIUSA-N 438.531 0.900 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1318500746 MYRNJBGRVZODDX-FMQUCBEESA-N 448.501 0.240 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CCCS(=O)(=O)C2)cn1 1327080247 HAGWBECCMSRJID-GXTWGEPZSA-N 427.552 0.795 30 20 ICED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1479370493 XKQXXQZIHKQSFJ-CJNGLKHVSA-N 426.520 0.007 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1508214745 IPABRKDBUCWVJR-FRQCXROJSA-N 438.529 0.881 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 1595918174 NAJDTDOQWWLNGH-LBPRGKRZSA-N 444.307 0.461 30 20 ICED COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1619900270 XZUNKRFKECDDBS-AVRDEDQJSA-N 440.504 0.905 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1638898624 SUQABMMKUOCSSW-WMLDXEAASA-N 437.518 0.757 30 20 ICED COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1661952521 YUCIBENCSZHRNB-UHFFFAOYSA-N 425.507 0.647 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1690329613 YPTFMTSRUXJZQR-NWDGAFQWSA-N 427.980 0.900 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1706832372 MOBPMRJJFJWNMW-FOIQADDNSA-N 432.550 0.753 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1750210045 JOIKQJIKSAHMQE-IBGZPJMESA-N 448.574 0.766 30 20 ICED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CCO1 1770752258 UQIOKNDLAICTQD-AWEZNQCLSA-N 429.506 0.525 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380857 OQLMFZNRSAGSQS-UZLBHIALSA-N 435.550 0.415 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1778975788 RRJQVEPRGVNTCR-PDSXEYIOSA-N 441.525 0.233 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156041 YUYUOEUBOWXVLK-UZUQRXQVSA-N 444.484 0.318 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781470478 DAOFEFJKNNSNSV-DYESRHJHSA-N 440.610 0.967 30 20 ICED COC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1782163509 ADLJIDATUYJRIG-MPWIWIEXSA-N 434.489 0.568 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)ccc1F 1782667142 VPTRMLRQNACBQF-JOCHJYFZSA-N 439.447 0.327 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1)C(F)(F)F 1785644196 SKPFIBSIOMGPDB-MJVIPROJSA-N 428.367 0.887 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)c(Cl)c1 1786891098 SKUMROAVRGICHC-IKICRFKJSA-N 447.923 0.398 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(C)C)C(C)C)[C@H]2C1 1786957650 FKNCXZUDJBOCCC-QBOZPLAGSA-N 434.581 0.847 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082442 ZOLIHBMXZYOECY-UOVPBQLFSA-N 433.505 0.562 30 20 ICED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)no1 1787491822 SASXKQXSZIBWJF-ZOBUZTSGSA-N 440.460 0.805 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1788601301 SMQMGVKTYJKBMH-RXYBXQHJSA-N 431.493 0.151 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601908 BHXVWEVJYIXDGD-UPHAJYCBSA-N 435.569 0.600 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790128346 DBNIOGMJQPYPIL-SNRMKQJTSA-N 443.500 0.888 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1791439849 YSPVVMZAZBAMMC-IQWQSGHPSA-N 434.562 0.962 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2 1792489275 MYNNCGPKTYAOGD-GRHUKYIQSA-N 431.518 0.477 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(OC)c1)C2 1792489686 IISVZGWTYYHVGG-IBRLJDPESA-N 429.473 0.462 30 20 ICED 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 1793342254 HWTNBGMODCEDIP-UGNRZPKXSA-N 448.541 0.397 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1793343539 ZHKOSRFRZVEZSR-OAFZBRQQSA-N 438.484 0.175 30 20 ICED C#CCO[C@@H](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 1793350081 YNINJHRDPSJDCZ-OYSTVDSJSA-N 447.532 0.531 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1793357719 YECKAVYSPKWBBH-PZTGFMGMSA-N 442.516 0.521 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 1793779251 VQMXYHUEZYSJPJ-PZTGFMGMSA-N 439.516 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CN)c1ccccc1 1795671582 FRJFZJYCZCQXPX-OLPNXUKYSA-N 426.517 0.177 30 20 ICED 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=CCN1)C2 1799321603 GXXQABUSOXVMEP-PJVZLEMVSA-N 448.564 0.964 30 20 ICED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801029307 SPKZJZNHPOJTGB-USNRHEKUSA-N 429.539 0.219 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806903972 MOMAXVHDFZGHRR-TZIWHRDSSA-N 442.564 0.701 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807624370 SHTFWLCTFYYUKM-PGRDOPGGSA-N 446.471 0.725 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567167 MWURFZWLRZOJNZ-NWGMWSOJSA-N 434.566 0.859 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)sc2C1 1817245952 XALROTWZRHQNSR-ZHSDAYTOSA-N 449.558 0.896 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819368591 WGTVEEYGFACSLN-IAGOWNOFSA-N 437.541 0.262 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1829266782 GGIINUSJHIOEOA-QHCPKHFHSA-N 449.467 0.881 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829828799 RYYBLHKXFZICSL-GHTZIAJQSA-N 436.461 0.279 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1830054258 JGHFWZWLIGWDND-JOCHJYFZSA-N 438.488 0.887 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1830059610 GTDQBDYHZRKNHH-FQEVSTJZSA-N 445.501 0.376 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1830342835 JNXNVAIKAGOUCL-ROUUACIJSA-N 436.553 0.708 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1830634396 CMMHABKKMRMVHI-UTKZUKDTSA-N 442.578 0.892 30 20 ICED COc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831208233 JKPOFPMIVUVRJB-QHCPKHFHSA-N 427.501 0.893 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1831413791 IGJJNALROASSIV-LJQANCHMSA-N 430.523 0.243 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831491047 UCDVHXQUJMTUDZ-HNAYVOBHSA-N 425.555 0.883 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=S)NCC)CC2)CC1 1833466861 UNFMTZXBQFMRPY-MRXNPFEDSA-N 437.610 0.080 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594552 ZHJPDIPWISUONV-MHRHTVJOSA-N 432.477 0.182 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834623348 JTENSGBADGTSMR-KRWDZBQOSA-N 425.643 0.514 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834763721 TUJSTDHFUSSSPM-NRFANRHFSA-N 433.436 0.986 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(N4CCOCC4)n3)CC2)CC1 1835198576 PTUTVRVNEOWSBV-UHFFFAOYSA-N 425.533 0.737 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364870 JCIMJMJPRBQYNV-VGOFRKELSA-N 428.489 0.565 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1837396408 CUNGEEDZYWKVBL-LTMIRXACSA-N 446.548 0.912 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1837445404 XIQFIODHKKQKAS-TZWBQFSNSA-N 435.569 0.256 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837448804 SUKYLBOGDXYIII-VFNWGFHPSA-N 435.477 0.899 30 20 ICED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1838215451 FCNLXQUQMQYTCA-QHCPKHFHSA-N 442.516 0.554 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1838349655 OXKVIEVZRPQKQG-XWRADEMYSA-N 446.508 0.027 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nc2)CCO3)cc1 1838644508 LHEWDJOLEXDRDI-QHCPKHFHSA-N 436.468 0.972 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840193 YUXUHMVPQBSCRZ-KSFYIVLOSA-N 449.504 0.760 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(OC)cccc3OC)CCO2)C1 1838880886 PWXXMYDRZQOQHG-SBUREZEXSA-N 446.500 0.812 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839060587 ZNDLMPAWOCVJIK-LRHHQANISA-N 446.504 0.610 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839223512 XZZFQCGVDUTQSE-IIBYNOLFSA-N 434.493 0.256 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839225906 YNVUUFCTYGSBKP-JXFKEZNVSA-N 436.513 0.730 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349852 UDUMNPALWJAQBU-DYESRHJHSA-N 435.546 0.810 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412856 OSUDNTXSNPNWJN-FQEVSTJZSA-N 432.433 0.920 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)c2ccccn2)CCO3)C1 1839665900 DQLHOQPHZURJCK-GAJHUEQPSA-N 442.516 0.623 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)C1 1840148496 RGCIOOWKEZIPNH-ZFCANOHDSA-N 428.551 0.741 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)C1 1840449754 KBNOSKWFBNLCOK-KGVIQGDOSA-N 433.505 0.896 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)CCC1 1840813975 INYBUBPIRGJJMY-HSZRJFAPSA-N 438.484 0.694 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840851751 QPSUQQIRDRMXFH-YLJYHZDGSA-N 427.567 0.667 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841608984 BUGHUFHTPQVSOI-AWEZNQCLSA-N 436.472 0.979 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc3sc(C)cn3c2=O)C1 1843784533 YFQXMKNCRCLXRG-WAYWQWQTSA-N 441.513 0.740 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1843821061 DXMQWAZRRZLOHB-KURKYZTESA-N 449.548 0.846 30 20 ICED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c1Cl 1844735063 YOLOBJUKAJLRBN-UHFFFAOYSA-N 426.797 0.753 30 20 ICED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1845248634 GFQGGDXLZHWPKH-HKUYNNGSSA-N 446.548 0.975 30 20 ICED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846365653 LIHHOVQANYKZRV-HNNXBMFYSA-N 449.508 0.909 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846461886 WDXYWZCIEUMUDS-OAHLLOKOSA-N 444.488 0.031 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30665975 VJDCRUAUMAAINV-BBWFWOEESA-N 436.534 0.824 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N 409504504 ZBZYUFZGBLRORK-HOTGVXAUSA-N 436.604 0.351 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCO1 409515929 VJNVFDHNTFDNRE-DLBZAZTESA-N 440.547 0.312 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 429301066 KJIASZZWCOWLET-WCYJSBMESA-N 427.461 0.498 30 20 ICED N#CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 429660113 NDAGSHUWLSYTDU-NSHDSACASA-N 426.804 0.911 30 20 ICED N#Cc1ccsc1N1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1=O 434831860 PHVYOZOBLNAYKC-CYBMUJFWSA-N 449.514 0.423 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 441452837 QHXWXMSNVDDXPI-SFHVURJKSA-N 432.477 0.522 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 445175100 SLYTWKWIMJJXRL-MSOLQXFVSA-N 429.473 0.964 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 447184206 GEXAZIYAUOTZJT-LBTBCDHLSA-N 429.498 0.688 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 462018003 VISHFVXMUYJDBR-UHFFFAOYSA-N 431.474 0.267 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C2)c(F)c1 469020186 QSUIFARDUDTMIW-ZDUSSCGKSA-N 449.464 0.453 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)cn1C 471062778 UKCYADLARGFDFT-SFHVURJKSA-N 426.502 0.816 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1 475440528 OGPNSGKMJGPIRS-INIZCTEOSA-N 427.486 0.918 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O 489661439 QJIUVFGVITYOAU-UHFFFAOYSA-N 436.490 0.655 30 20 ICED Cn1cc([C@H](CO)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 494806303 CCUAMDMQXBJGJR-INIZCTEOSA-N 425.449 0.512 30 20 ICED CCC[C@H]1CN(C(=O)CN=c2ccc(C#N)c[nH]2)CCN1C(=O)CN=c1ccc(C#N)c[nH]1 497744972 ZDLHSPVSQJIPMP-IBGZPJMESA-N 446.515 0.427 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 498175052 CKIAHFUCLONUSD-UHFFFAOYSA-N 448.423 0.932 30 20 ICED N#CCCN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 499332477 WPCAAKVKOAMPAL-UHFFFAOYSA-N 427.486 0.758 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508540961 JCJPLZMKZQPQQF-KRWDZBQOSA-N 439.520 0.635 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)c1C#N 511612199 BWLQYPXUTOUEMW-UWJYYQICSA-N 449.559 0.886 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 516329778 PEDIYNNKPPFXNN-SJORKVTESA-N 442.559 0.959 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccsc3)c2=O)cn1 523180552 WKANKOXBHIHVOP-UHFFFAOYSA-N 441.538 0.539 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 532916795 RVEOVEBSCYKWAD-FQEVSTJZSA-N 442.497 0.862 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 535827083 XFSIWFPPQNPMJO-QGZVFWFLSA-N 426.454 0.862 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)n1 559828446 KFKVOJMNLKVOCA-OAQYLSRUSA-N 448.527 0.792 30 20 ICED CN(C)CCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]1 564476444 SLICSEAFGZRRBK-UHFFFAOYSA-N 426.868 0.576 30 20 ICED C=CCN(C(=O)C(=O)Nc1c(C(=O)OC)cnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 568735249 BHBNKWKGGBFUKZ-ZDUSSCGKSA-N 438.448 0.897 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 570372937 NIZVWHORLGJXRW-UHFFFAOYSA-N 446.485 0.951 30 20 ICED COC(=O)Cc1cccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1 573498070 UJTQUYOIJKHXSC-UHFFFAOYSA-N 433.490 0.877 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCC(N)=O 576417028 NNLWLESZFCTDRV-HNNXBMFYSA-N 439.428 0.444 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 578675222 WTZLINJMSXYAKZ-QGZVFWFLSA-N 433.940 0.481 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 578977516 BPHRWIOMSFBSOM-HNNXBMFYSA-N 425.493 1.117 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 587647206 GXIBMGOOISXXGB-GOSISDBHSA-N 436.520 0.557 30 20 ICED C=CCn1c(N)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 641980691 JEOUPBIWKHARLR-UHFFFAOYSA-N 438.535 0.798 30 20 ICED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 730390315 VLBXZSHNDRVKJS-OAZPQLMHSA-N 435.506 0.175 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O 731204209 AXKVLSDHXMZYAQ-UHFFFAOYSA-N 447.582 0.601 30 20 ICED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 731407530 WVWBQIBHJQPVPI-AWEZNQCLSA-N 440.547 0.798 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 732154877 VLEWHMAOYBNWGN-HPRBBJPRSA-N 432.477 0.611 30 20 ICED CC1(C)Cc2cccc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)c2O1 738010304 KVIVWOKNFPFXCO-UHFFFAOYSA-N 429.523 0.695 30 20 ICED Cn1cc(N2CCC[C@@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 741826903 VZOHGASNHKEMGP-OAHLLOKOSA-N 431.474 0.588 30 20 ICED COCCCNC(=O)CN(C)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 749584266 GULCMUFZGJEWHE-MRXNPFEDSA-N 438.550 0.751 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 753651516 ALSGFQNWJJLMSL-JCGVRSQUSA-N 426.495 0.138 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758059179 PDRMRLHDGDWRFT-UHFFFAOYSA-N 425.466 0.308 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758321614 CAMOEAQBCCFDBQ-HIFRSBDPSA-N 429.543 0.859 30 20 ICED CC#CCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 784901648 XHAGPJYPIYATEU-UHFFFAOYSA-N 428.461 0.829 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 790324929 LCXNPAKJQFWUOE-UHFFFAOYSA-N 445.524 0.150 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(CCC#N)CCC#N)ccc2F)CC1 800894621 CFRHITJODPDMAH-UHFFFAOYSA-N 435.481 0.948 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCOC)CC2)ccc1F 914469522 DACDHUKWYVFYNP-UHFFFAOYSA-N 427.498 0.905 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916871456 WBUHZPAZLGRTTJ-GOSISDBHSA-N 437.518 0.502 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 917065241 MOCFPJJMIAOUGW-UHFFFAOYSA-N 427.549 0.597 30 20 ICED Cn1ncc2c(O)nc(COC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nc21 917502954 WTOFMMQPSCYWCJ-UHFFFAOYSA-N 430.446 0.631 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 920200237 DVOQMDPKCPAACW-UHFFFAOYSA-N 448.545 0.728 30 20 ICED C=CCN(CC(=O)OCC)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 921293873 VADGMSFEBUGJGT-UHFFFAOYSA-N 437.518 0.731 30 20 ICED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130080298 SVWHIHHCPXCQKG-CJNGLKHVSA-N 432.864 0.845 30 20 ICED C[C@H](CC(=O)Nc1ccn(CCN2CCNC2=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 1178535915 ZAGXZONWLQXLLV-CYBMUJFWSA-N 445.505 0.364 30 20 ICED C[C@H]1CN(c2cccc(CN(C)S(=O)(=O)N3CCO[C@H](C#N)C3)c2)S(=O)(=O)C1 1211687074 ZBCWTSWALGWWTC-WMLDXEAASA-N 428.536 0.373 30 20 ICED CCN(CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1313800390 QHOYGNWZFNBEJZ-KRWDZBQOSA-N 429.522 0.530 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C(=O)OCc1ccccc1 1320239734 ZFHWNLCIFVHREJ-MRXNPFEDSA-N 431.470 0.336 30 20 ICED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322379107 UQVFXQSQOGUDHI-XUZQSEFNSA-N 428.367 0.261 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1469762407 LEUSVTBAEVMNAQ-SFHVURJKSA-N 448.549 0.624 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1502310383 YMYBPYCRXNEWBL-BRWVUGGUSA-N 440.618 0.510 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1618502212 YPDOPLKIEGNKHA-UGSOOPFHSA-N 425.559 0.791 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618840304 NVPNRHHPBMTYRA-QGZVFWFLSA-N 445.549 0.679 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1637451634 USUGDLRHNSZVGQ-WFASDCNBSA-N 426.520 0.470 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1706075248 LGEUXJWDNYHLFD-GOEBONIOSA-N 431.522 0.804 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1729678291 UWMXEPAUJNOINS-UHFFFAOYSA-N 435.492 0.868 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1745792175 QGLROZAWKSABAV-UHFFFAOYSA-N 438.536 0.601 30 20 ICED C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1761428590 WDVVGAZNXSWBCQ-BZUAXINKSA-N 425.559 0.349 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994428 QSQTXYLVMZBXTC-UZUQRXQVSA-N 438.484 0.485 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020326 LBLPETNWROKPLI-QOOAHNBZSA-N 430.465 0.090 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cn2[nH]cnc(=O)c12 1780020941 SYDCRZGHPWFJBJ-QHCPKHFHSA-N 446.467 0.960 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCOCC2)CCO3)c(C#N)c1 1781174978 WCFOFVGHODINNK-HSZRJFAPSA-N 442.516 0.271 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781430440 YPBQRNOPONCVHD-KRAMAXKOSA-N 433.509 0.928 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783337202 NGMXVFAXMKRASO-BKRNEDDOSA-N 427.501 0.278 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)CCO2)C1 1783896360 YRJQNAPTPCAWCX-PGVBMLAISA-N 433.574 0.770 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389982 SANDAIRNFPWGBX-FQEVSTJZSA-N 433.534 0.425 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)cc1C#N 1785195792 CYAJILTYWPVQSW-QFIPXVFZSA-N 428.489 0.877 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1785571121 AKIJHJBVOJUGGE-BSRJHKFKSA-N 448.564 0.827 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1785572490 LLXFDFMWHKGTHE-JTSKRJEESA-N 445.520 0.630 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1785574730 PYVZMMQEZOJRBZ-SZNDQCEHSA-N 447.492 0.475 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1788656967 TYZRWWBCAXUFDL-VGXOEQGOSA-N 433.509 0.851 30 20 ICED CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)C1 1789741868 DSFSMLDNBNGEQO-LIRWBVIASA-N 436.553 0.837 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)C[C@@H]21 1790791039 RPJQPKBPKCVMJX-WDSOQIARSA-N 438.459 0.657 30 20 ICED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145276 HDHPYGLYELJAQI-LNLFQRSKSA-N 449.529 0.351 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1792256514 DWRQPBAIMCMJCE-VGWMRTNUSA-N 447.492 0.580 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC)C(F)(F)F 1793317532 DIWNMIQOJAJKLK-RVMXOQNASA-N 427.445 0.022 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793348453 ZRTVIRWERCXVBC-DABQJJPHSA-N 440.390 0.914 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793384364 XYQBNIARVLLDNW-ABXQLRGKSA-N 431.514 0.979 30 20 ICED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)c(=O)[nH]c1C 1794309873 XUATUVGNFDFTJB-IZZQQSIFSA-N 442.516 0.289 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796373579 NOWSOWAUYJXGTI-XAPVIXHLSA-N 441.528 0.800 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1796450638 GXLMFAYWSWPGHE-BWKKGPAXSA-N 426.517 0.947 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3nc(CO)[nH]c3c2)c1 1796872027 CKPSUQJSGNGUFI-YVWYUNDQSA-N 434.456 0.772 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1797712596 NHRGSFSUBAESTL-OQMKEHIESA-N 441.575 0.009 30 20 ICED C=CC(=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 1797946716 QCJPKKPTZUFZHF-PJKMLTEKSA-N 426.473 0.461 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1nc(O)n2c1CCCC2 1797985560 PGRDXCCLZXPTAM-RCYRTTBSSA-N 441.488 0.840 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(OC)cc1C#N)C2 1798640291 GHQFJHJLJFRFEO-JTJHWIPRSA-N 442.516 0.899 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189475 VWPJOQAGOQUZIT-MUJYYYPQSA-N 439.472 0.851 30 20 ICED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C/N=C/c3ccco3)C4)CC2)CC1 1799194412 PKBDDMGYZNEKGX-OFISNVQSSA-N 443.548 0.068 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)cc1 1799641830 CUNCRWYYASOCSI-OPVJXMOQSA-N 433.468 0.990 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)C(F)(F)F 1804094701 LBQJBAOQRODMLH-CZUORRHYSA-N 439.394 0.758 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804415989 SLSIYHDMRHGKGY-WRWLIDTKSA-N 440.460 0.931 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805410656 OQOUEDLLNMRHTD-HNNXBMFYSA-N 437.493 0.191 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810347462 FWTBJDIRGHHGOC-WGQQHEPDSA-N 432.521 0.329 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1812675627 VJPOKZUAZAXOGR-GUTXKFCHSA-N 439.394 0.804 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1814052205 PGLOEIGFWIATHJ-YESZJQIVSA-N 429.477 0.846 30 20 ICED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1814226329 OEYLYEHMSJWNTC-FXAWDEMLSA-N 427.505 0.454 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](C)S)CC3)CC1 1818898275 DEHMZCNRCRAVQM-WCQYABFASA-N 425.580 0.538 30 20 ICED O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/O[C@H]3CCCCO3)[nH]n2)=NN1 1819341779 VYVVQIFHEHWUSZ-LKERYGQTSA-N 431.453 0.807 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1819718228 UWRVXCZPJQWVFU-GXFFZTMASA-N 444.517 0.831 30 20 ICED COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819907213 MZBPGAWTKAACNH-BLWQUIATSA-N 439.494 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=S)NCC)n[nH]1 1821640735 LDVPAEZHTXUOPR-CDNLZTBQSA-N 447.565 0.744 30 20 ICED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1823886077 RYOQYGXDOMTSEN-HNNXBMFYSA-N 426.481 0.596 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824489553 USODQPPFZCXZNS-WBVHZDCISA-N 429.454 0.369 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825667831 XOVKIZMVXBLVDY-GFCCVEGCSA-N 443.485 0.444 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncnn1C)CCN2C(=O)OCc1ccccc1 1828665224 QRBBZYDDXHBWLE-QFIPXVFZSA-N 436.472 0.514 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829770584 ZFEKFHXEHOXKOL-MPTRJMJQSA-N 444.488 0.013 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c21 1830059429 BNQVOALGNVSGLJ-JOCHJYFZSA-N 441.488 0.899 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1OC 1830060552 WVVXKLZFADGMBH-OAQYLSRUSA-N 432.477 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1831392241 CMBDYXWEFFZDST-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831463334 CYDMLCZATYGPML-FXAWDEMLSA-N 428.551 0.317 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831486707 DZFZRNJLSGMROR-MGPUTAFESA-N 449.533 0.459 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353790 LBPVVZYQZODDJS-GAJHUEQPSA-N 446.548 0.784 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)C(F)(F)F 1833478619 RKBXLTVMMBVTKE-QGZVFWFLSA-N 431.367 0.274 30 20 ICED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834414086 PWJQCAPAZYQVJZ-HSZRJFAPSA-N 444.532 0.672 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834586507 ZTEQSDRQBXZNLC-OAQYLSRUSA-N 431.493 0.139 30 20 ICED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)OC(C)(C)C 1835209968 AVUHURNTXPHJET-OAQYLSRUSA-N 436.509 0.613 30 20 ICED Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2c1 1835356497 ARBPKYIUBKPHIO-JOCHJYFZSA-N 439.472 0.377 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835407989 RHQXPTRFYMRVDU-QHCPKHFHSA-N 425.485 0.117 30 20 ICED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1835665993 UJCGCBKREABULB-QHCPKHFHSA-N 444.532 0.565 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csc(N)n2)CCO3)cc1 1835794240 XFWQJMWUIQDZPW-FQEVSTJZSA-N 427.486 0.981 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836808505 LTOKBJNLLWYXHJ-HXUWFJFHSA-N 431.518 0.947 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1)C(F)(F)F 1837118092 UAHDNZBAVCVRDG-CQSZACIVSA-N 446.426 0.702 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837330159 ZCDULTOGAPVEGZ-FQEVSTJZSA-N 433.534 0.712 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837526602 VBQMQBYLTPSTKJ-SKPKZUESSA-N 447.492 0.005 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4OCCC5)C3)C2)c1 1838740772 SSCVYQNWUQDDGF-OAQYLSRUSA-N 440.460 0.249 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1838953151 QEJMJAWAWMDKHH-WIYYLYMNSA-N 447.513 0.205 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049526 IEODOLIXNOIEHJ-FQEVSTJZSA-N 449.458 0.940 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839171679 DBJWZXCEMQDAGA-QFIPXVFZSA-N 437.537 0.294 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1839174316 SOIFLFFNEDCKAR-JOCHJYFZSA-N 447.488 0.670 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1839227862 MAXTZFYFEVHERR-KSFYIVLOSA-N 447.536 0.780 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)CCC1 1839625855 LINBDTACKOKRMQ-NRFANRHFSA-N 442.451 0.632 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1840045047 NMWORKVQKPQOCJ-OAQYLSRUSA-N 430.432 0.402 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)cc1 1840105345 LHKOYVRZQNXTLO-HSZRJFAPSA-N 440.500 0.641 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840362835 CNTVNEJVTRZDHX-NVVBAYIOSA-N 446.548 0.544 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1840405673 ZOBKFAQLZAHYLZ-IIBYNOLFSA-N 426.477 0.723 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840432509 PLZCPENWWQBZBA-HRAATJIYSA-N 426.477 0.489 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2ccnn2)C1 1845816847 RGMMKZRXQVVNKF-CVEARBPZSA-N 430.509 0.959 30 20 ICED C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1845873380 MJDHEHHIZWEJEM-JKSUJKDBSA-N 432.546 0.336 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)CO2)C1 1846196907 BSABRSWENHEKHZ-HNNXBMFYSA-N 447.488 0.304 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1847070139 MIMXUPVPGHUJLX-SFHVURJKSA-N 447.580 0.354 30 20 ICED COCCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1OC 432616819 LJTBXWBONWHHPJ-UHFFFAOYSA-N 426.476 0.687 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)C[C@@H](C)C#N 437392893 DLQCGMFWXCXPSQ-AWEZNQCLSA-N 437.522 0.188 30 20 ICED CC#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 440706793 VSIKMMIXPFDMAW-UHFFFAOYSA-N 448.545 0.776 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 443553639 ZNDFJCWRXRCAIE-UHFFFAOYSA-N 429.567 0.943 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCSC 443566198 POCIIGXHXNMUHT-UHFFFAOYSA-N 435.546 0.986 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CCN(C)CC3)c2=O)o1 471210876 BWEBOZKGTAFANC-UHFFFAOYSA-N 444.557 0.598 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 482834462 AMWGSAGYHWCUKQ-ADBDHWBDSA-N 442.497 0.148 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)n2)cc1 490857277 IQKFWSAGGPWTFU-UHFFFAOYSA-N 430.472 0.876 30 20 ICED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 502655020 FKXJEXCLPVOSOA-AWEZNQCLSA-N 448.277 0.579 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccnc3-n3cncn3)C2=O)cc1 505282407 ZBIXQYUTCCWBHW-QGZVFWFLSA-N 430.428 0.784 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCCC#N 510355710 PGJYYDAWMHWJQQ-UHFFFAOYSA-N 438.506 0.855 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1S(N)(=O)=O 510763920 OKPQDTQFAUKMCO-UHFFFAOYSA-N 432.458 0.486 30 20 ICED CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 516589035 FLARDZJBYBVTCE-UHFFFAOYSA-N 431.449 0.783 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2=O)c1 533459489 MICKCZVTTMYFDV-QGZVFWFLSA-N 440.460 0.983 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542290934 IIFKIFQCLOPYAF-UHFFFAOYSA-N 445.520 0.535 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 560917676 GGDRUGMDPGXAGS-UHFFFAOYSA-N 442.564 0.393 30 20 ICED C[C@]1(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 576506086 PSUXQSGEVDQDNY-LJQANCHMSA-N 427.442 0.530 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603739503 QGWJBVBATQDORV-UHFFFAOYSA-N 427.548 0.793 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)ccc2F)c1=O 609739328 SVKOZZSPLPIWBD-UHFFFAOYSA-N 433.505 0.660 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 610230397 IDKXWWUQOVYULB-SFHVURJKSA-N 440.547 0.649 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1C#N 615952796 JJDSJBLRICLXPV-INIZCTEOSA-N 436.520 0.810 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1=O 623221836 FPRSSIWSCJSSIO-UHFFFAOYSA-N 432.864 0.530 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 642897518 CIMUGTQFAKPXDB-UHFFFAOYSA-N 437.566 0.185 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cn1 732563429 ZBVVNIVAYQXLIV-UHFFFAOYSA-N 434.525 0.546 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910309 NFWWWNUHLHLWKM-QZTJIDSGSA-N 431.514 0.434 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)c1 735479340 MPLFWJOOAJQPTQ-GOSISDBHSA-N 441.557 0.934 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758084532 BGPMYMXHSIMJHF-PBHICJAKSA-N 431.898 0.577 30 20 ICED CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625708 DJORDYOZMMFOTQ-CQSZACIVSA-N 438.506 0.141 30 20 ICED CC(=O)Nc1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 769730441 VDTGHLOFRVSCHL-UHFFFAOYSA-N 430.442 0.977 30 20 ICED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771075276 YTXQBFVNNZCMTK-IBGZPJMESA-N 448.501 0.911 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NCc1ccc(F)c(F)c1 786569141 JMLBNXDNYWQIBC-HJUANSTKSA-N 431.395 0.842 30 20 ICED COCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)cc2S1(=O)=O 787656808 JCGWXGIGISXISJ-GFCCVEGCSA-N 435.458 0.585 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(COC)o2)c1=O 794582790 SIOXIZGHXDZLLT-AWEZNQCLSA-N 432.498 0.794 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)c1 807381340 OKXQIUPJYXXKON-UHFFFAOYSA-N 436.486 0.606 30 20 ICED CS(=O)(=O)CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 808176652 KESJHJRYCYRIMI-KRWDZBQOSA-N 432.502 0.205 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2ncccn2)CC1 812605687 XGIRCNAERHKWSO-UHFFFAOYSA-N 443.485 0.357 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@H]1CCCO1 815575317 OOZFRLYJLDWJSK-GOEBONIOSA-N 449.410 0.924 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 917438841 AGDKAHNNHYABMC-UHFFFAOYSA-N 441.473 0.904 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C 918729940 LNDJVFBCCZFRJX-UHFFFAOYSA-N 430.917 0.457 30 20 ICED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCC#N)Cc2ccco2)c1 1136457891 IWXHXZDBJXXCGP-UHFFFAOYSA-N 425.488 0.904 30 20 ICED COC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccncc1 1251765454 VDENJLIARXGPLS-QGZVFWFLSA-N 430.486 0.954 30 20 ICED CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1301677158 CJVIUDXIGZJBMM-PKOBYXMFSA-N 442.568 0.851 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359474691 WCBSSADVIAMDBA-CPUCHLNUSA-N 444.583 0.075 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 1492911739 PXTFOYKBQGIHRA-CQSZACIVSA-N 425.497 0.245 30 20 ICED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CC1 1541005364 RMIXMXMTIMJNHB-SFHVURJKSA-N 428.541 0.523 30 20 ICED Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1542659809 LPVWJAIOELBCIC-ROUUACIJSA-N 446.533 0.697 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)CC1 1559093611 ILHXDWJIFTUKRJ-UHFFFAOYSA-N 440.504 0.143 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1611767396 MAANXAAJHPDCOD-HDMKZQKVSA-N 441.579 0.745 30 20 ICED CCc1cnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1708967499 KKGCFZYFLHCTNN-VXGBXAGGSA-N 425.540 0.684 30 20 ICED CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723089412 CDACPQYVRZNNLV-DOTOQJQBSA-N 449.581 0.129 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1761428593 WDVVGAZNXSWBCQ-PMPSAXMXSA-N 425.559 0.349 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1767214249 PGZPYRVXNDMNEV-UHFFFAOYSA-N 448.535 0.735 30 20 ICED COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1769847657 YBZWUIDLCYHHOJ-QGZVFWFLSA-N 435.554 0.941 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994426 QSQTXYLVMZBXTC-SBUREZEXSA-N 438.484 0.485 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1778976380 XQFKNUIOPLERQP-YCRPNKLZSA-N 431.468 0.885 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1782055306 SAEIHSJFVGBYMH-QHCPKHFHSA-N 436.468 0.625 30 20 ICED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197730 CRLSCNHZJNOJCR-FQEVSTJZSA-N 445.501 0.313 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1783476107 RNDMKWYWDZDBQR-MPWIWIEXSA-N 448.520 0.612 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603625 PFGFMXMAUYOLPQ-DVMWJLJYSA-N 426.517 0.947 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)c1 1783911973 IITJJLVPXHGHBY-FKBYEOEOSA-N 440.544 0.803 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1785425378 NGWVEGSGRZGEFR-RTFZILSDSA-N 449.548 0.990 30 20 ICED COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786427004 KQGVIJFOJHFZPG-LNLFQRSKSA-N 429.473 0.870 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788601622 BYMBQIAVERPNNJ-QFYWPPNZSA-N 435.569 0.160 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652626 JRCNWANHBBYJIW-KOQHUTOQSA-N 436.553 0.979 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)n1ccnn1 1790640697 QSEYXNVFBNWYEG-BRLCOEBDSA-N 434.497 0.348 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1cncn1 1791619926 UUSHVEAHWMMJOK-CAIZAGQASA-N 438.488 0.769 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1792258898 SSULJZSDPDTHLS-PJVZLEMVSA-N 449.548 0.919 30 20 ICED C=CCO[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 1793354609 FCAODPKXNAGUAG-FQRJBHLQSA-N 446.504 0.173 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1793668246 BQZTURZFOOHEBW-IZZQQSIFSA-N 449.548 0.751 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797744168 TVBWSSKHHFBFFN-GQKLUMADSA-N 439.516 0.856 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)n1ccccc1=O 1797784065 IGLAFXAOAHGCBD-NXWNEQKCSA-N 441.528 0.698 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)c(O)n1 1798383255 FGANJXJGOIYTKT-ZSBFGKGUSA-N 439.472 0.918 30 20 ICED C=CCC(=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 1799156017 DZYRIIBXZYBMKB-KMWNMMNJSA-N 435.521 0.931 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)cc1 1799640178 XBLWBFYKYJDVOZ-HGKCTWBKSA-N 435.440 0.758 30 20 ICED C#CC(=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 1800452518 NUENENPPZFERGT-VRJGGCKTSA-N 435.521 0.217 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C4)c2c1 1800873347 CXDVOLCLNSHGAG-ZWUHOBOKSA-N 435.444 0.284 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2ccnn2)c(C#N)c1 1801394946 AZTAIWCCWXDWBO-OPMZPASUSA-N 438.488 0.381 30 20 ICED 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]1CNC(=O)C1 1801675446 VZWXHOGPBKYRDR-UUAJXVIYSA-N 432.521 0.677 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 1802087114 ILJQGLNJONVWHU-YALNPMBYSA-N 439.509 0.609 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804190999 SOJTTYVPEBKLDI-CJNGLKHVSA-N 439.394 0.758 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1808199299 SGFLYTBOLYDDLW-XYJFISCASA-N 431.493 0.887 30 20 ICED O=C(C#Cc1ccccc1)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809659358 MMHQNNUTHZQRHZ-UHFFFAOYSA-N 433.445 0.994 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810327332 NCZFADILXAXQLC-WIYYLYMNSA-N 447.557 0.831 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825250730 KPJSYYLDOACXRO-WPRPVWTQSA-N 427.433 0.865 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322868 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C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3(N4CCN(C)CC4)CC3)CC2)CC1 1836376219 FPDCMJPZDAIJCV-KRWDZBQOSA-N 437.654 0.656 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1837071565 FUKXCJCAXIMDTH-NRFANRHFSA-N 441.594 0.555 30 20 ICED COc1cnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(F)c1 1837322244 KYSDBGKPHARVSI-UHFFFAOYSA-N 433.436 0.930 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837533236 LUKOCLSMSBJTMF-KKJGSBBASA-N 447.492 0.408 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689444 XXMIAAYOTLFKNQ-JBYIUTFZSA-N 448.520 0.667 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838093092 YCDHMHQZEVVMRT-IBGZPJMESA-N 428.489 0.038 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 1838649349 HBRAUJNHQROPMI-GOSISDBHSA-N 437.537 0.894 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)C1 1839080754 IOJMYIWZHSRYMX-BOCKYXSRSA-N 431.533 0.810 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1839174372 YECWBWPZJGLLEI-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839226224 JGOCICJCKXTNTK-OPAMFIHVSA-N 446.504 0.656 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839349124 FIMKYFUDTGXKFC-AOMKIAJQSA-N 431.489 0.447 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OCC)c3O)CCO2)C1 1839425692 ZROWTONCNDEXDZ-UZUQRXQVSA-N 446.500 0.899 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578682 LVDADUIWYQUGKF-NRFANRHFSA-N 444.513 0.609 30 20 ICED Cc1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2[nH]1 1839616584 DFGROLITQVDZQB-QFIPXVFZSA-N 425.441 0.634 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839655018 ZMCXQSMJLWZYJL-NRFANRHFSA-N 445.545 0.112 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810808 SUMYFBRRYQKKRA-MQKZXWNDSA-N 447.532 0.864 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1839880597 WAAUXQZFWQMCDK-AOMKIAJQSA-N 428.489 0.461 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458187 QMOGRODSTBNDRX-QFIPXVFZSA-N 446.504 0.375 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)ccc3OC)CCO2)C1 1840687659 ZXHGRFHQEZFTPT-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819008 JXKWRVHNCIWDJZ-QHCPKHFHSA-N 444.532 0.782 30 20 ICED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)COC1 1840820434 OYUOLQWTMACZHH-QHCPKHFHSA-N 443.500 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1844725731 CSOCQFKJRUGLEH-UHFFFAOYSA-N 433.428 0.429 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccc(O)cc1 1846413235 DKWUWQTYGGTTLC-KRWDZBQOSA-N 438.484 0.644 30 20 ICED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=O)c(C#N)c1C 19355007 PTTTXRDXNHTHQT-UHFFFAOYSA-N 433.465 0.404 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 432404388 DXAVKQUMXDDZSJ-UHFFFAOYSA-N 431.474 0.463 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437664264 UMYHCQPGGUWUSF-MJGOQNOKSA-N 437.566 0.814 30 20 ICED C[C@@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 438877457 USJDOIWNZQJHGQ-HNNXBMFYSA-N 449.533 0.665 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H](C)C1=O 441009479 LBKRCHITNPWRLU-CQSZACIVSA-N 426.452 1.537 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 448481569 NSKSJYZSEKSSAF-UHFFFAOYSA-N 434.435 1.269 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cn1 460653325 BBAMWEUJNHDVJO-QGZVFWFLSA-N 430.428 0.784 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)N(C)Cc1nnc2n1CCC2 472985357 FVQRCXSMCXEBQL-GOSISDBHSA-N 441.467 0.973 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477133498 GBHGBVMNYOBLHC-UHFFFAOYSA-N 425.507 0.577 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 500923066 LKINTRWRBMEQKD-UHFFFAOYSA-N 428.467 0.663 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCOC2)c1=O 512726243 VCVPYZCAVPGNHU-HNNXBMFYSA-N 427.530 0.288 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 516678121 DUSHYXSPSGRGEW-HLIPFELVSA-N 441.532 0.391 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)cc1[N+](=O)[O-] 521667537 PHWWWSGWMNCOPQ-UHFFFAOYSA-N 428.470 0.925 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 523255728 DDEJFLGWOMCVOF-UHFFFAOYSA-N 449.448 0.155 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 526038164 RPHKAKKRORXIKS-OAHLLOKOSA-N 425.510 0.511 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)C1=O 536298537 KAGBXZLCMMKNQV-UHFFFAOYSA-N 436.446 0.092 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1=O 536640697 NPOZHDCUQJWIPN-UHFFFAOYSA-N 449.446 0.869 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCCN3CCOCC3)C2=O)cc1 556167612 OJFQRFSFJIOSLN-IBGZPJMESA-N 427.505 0.004 30 20 ICED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 559835738 CBUCPSPFWXHORK-UHFFFAOYSA-N 427.553 0.136 30 20 ICED CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 583535962 MRFNXBKBJFVYBL-UHFFFAOYSA-N 433.428 0.519 30 20 ICED Cn1nc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 588202199 PQBMRLWLIKINJH-GOSISDBHSA-N 430.468 0.978 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603795203 OHNWEORGABBNRJ-UHFFFAOYSA-N 442.541 0.934 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCCO3)c1=O 603986090 KOVSZLVUQSWCKD-UHFFFAOYSA-N 439.493 0.229 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1C#N 607947695 WOFLEOLCIORUQP-UHFFFAOYSA-N 444.472 0.661 30 20 ICED Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609986098 UIIQYFWFGZPHSB-GOSISDBHSA-N 432.484 0.963 30 20 ICED COc1ncc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C(N)=O 610775576 ZPZMZRRCMXCKDY-UHFFFAOYSA-N 439.432 0.213 30 20 ICED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)C 616404636 DQATXGFTDHSYDU-KRWDZBQOSA-N 442.520 0.386 30 20 ICED CN(C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(C)(C)C#N 727873378 QRSPXYYLRVOHGQ-UHFFFAOYSA-N 429.520 0.811 30 20 ICED COc1cccc([C@H](C#N)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1OC 729428906 YHGVOOPESUDPRP-WFASDCNBSA-N 434.474 0.550 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521401 IDOMREZQRMUCMC-HIFRSBDPSA-N 448.501 0.934 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 745044006 ISBGFLWBYPDEPD-UHFFFAOYSA-N 433.465 0.825 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 745356094 FCEKGKYDWCSZCJ-DGCLKSJQSA-N 439.519 0.888 30 20 ICED C#CCCN1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 760214562 AGLNSIDKIAJSQJ-IBGZPJMESA-N 434.562 0.383 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCCCC1 760388604 RZWYDRPXLZUEAX-UHFFFAOYSA-N 432.510 0.656 30 20 ICED CO[C@]1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCOC1 764451565 LEXKZUYETYTCFW-QZMYASAMSA-N 438.506 0.360 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc[nH]n1 770823176 HEJIJUAITVTXHS-UHFFFAOYSA-N 428.405 0.384 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2cncs2)CC1 782356675 DSZHBHFGEKQIOO-UHFFFAOYSA-N 434.499 0.634 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 783480656 SDUYAJYKINTFOI-LJQANCHMSA-N 432.546 0.021 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 783481867 YVGXVRCINHXUET-HNNXBMFYSA-N 445.888 0.985 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCCC1 785135867 CVJGWLRKDBMVET-UHFFFAOYSA-N 432.502 0.150 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1c[nH]c(C#N)c1 786904686 IMGZXIHVZJZKAA-UHFFFAOYSA-N 448.457 0.711 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790428786 LTBLZZILSHMIBQ-UHFFFAOYSA-N 429.523 0.770 30 20 ICED CCN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 792474496 FGIDWGBNYYWURR-XLNRJJMWSA-N 449.533 0.866 30 20 ICED CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC#N)ccc1Br 804820703 MWQKJIOYXISCPR-UHFFFAOYSA-N 431.312 0.895 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 805584293 COIJPZZDNZRJQZ-QGZVFWFLSA-N 445.495 0.299 30 20 ICED CN(C)C1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2F)CC1 807366558 ADIDRGFZOCRVNQ-UHFFFAOYSA-N 428.472 0.574 30 20 ICED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 807833561 BODSBZFZGKIVEY-OAHLLOKOSA-N 428.493 0.585 30 20 ICED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@H]1CCCO1 809304177 GEUKBOKKMDAKSC-GBESFXJTSA-N 429.473 0.565 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1C#N 809501927 XMKNSGSUOFRSEJ-UHFFFAOYSA-N 428.474 0.912 30 20 ICED COCC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810468165 CYZCSRQHKXBQOR-HDHZYAPQSA-N 440.522 0.606 30 20 ICED C#CCN=c1nc(N2CCC(F)(F)[C@H](CO)C2)[nH]c(N2CCC(F)(F)[C@H](CO)C2)n1 812480299 AAGOBNJQBXCSQT-STQMWFEESA-N 432.422 0.246 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1 916695404 ZPGZRYYLIBXGKM-MNDPQUGUSA-N 443.551 0.609 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C 918730332 ZNCMXCKBAOKIGM-UHFFFAOYSA-N 429.546 0.678 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1288525924 RJBSUXDHBUFZSP-OAGGEKHMSA-N 426.543 0.776 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)COC1 1289059140 NZHUYACFVZWHQN-INIZCTEOSA-N 438.554 0.778 30 20 ICED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1298705032 BDFQRCOCFBWROU-GJZGRUSLSA-N 440.474 0.900 30 20 ICED CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314633023 AXQDIAJPHUAEQL-INIZCTEOSA-N 437.508 0.580 30 20 ICED CO[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1315271060 LGJSGPNEGLGUPF-OXJNMPFZSA-N 447.517 0.883 30 20 ICED COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 1317937968 UXAIEVROFANPMD-UHFFFAOYSA-N 444.469 0.652 30 20 ICED CC[C@H](C)[C@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(=O)NCCN1CCOCC1 1356422764 DFGDHRKFXXZMJN-BBRMVZONSA-N 435.550 0.974 30 20 ICED N#CCC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1459992310 PJLMPSUMDMQELS-UHFFFAOYSA-N 428.898 0.260 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539803951 OZNBJPXWPQSDTL-ZNMIVQPWSA-N 449.961 0.604 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1589394671 MFZYBOFWKSQKRR-CYBMUJFWSA-N 440.346 0.396 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1596850865 PVIADQFUPDVMKX-ZDUSSCGKSA-N 439.567 0.757 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)N4CCOCC4)CC3)CC2)o1 1653978411 NKOIUCNKJUNLGZ-UHFFFAOYSA-N 445.524 0.010 30 20 ICED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N1CCOCC1 1694738183 JBORBVDOYGRILD-OAHLLOKOSA-N 425.497 0.076 30 20 ICED CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CCOC 1697003579 KLORXGCIOPMMEE-UHFFFAOYSA-N 438.492 0.695 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1708147597 RGRQWVLZODDASO-CQSZACIVSA-N 433.476 0.637 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1711284831 VQSWEDVPMJYWPP-ZDUSSCGKSA-N 425.559 0.791 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1723963431 ZXUDADGEPRVBRL-DGCLKSJQSA-N 428.906 0.167 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1C[C@@H]2C[C@H]2C1 1779064992 LRRYDWAOEUKATG-XUJKJYMVSA-N 429.561 0.855 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204968 NXTIKXHAHPKBAD-QHCPKHFHSA-N 449.467 0.801 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963226 DVKKGXFTXRZOLG-JXFKEZNVSA-N 434.424 0.205 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1782180294 YELLITYXHHMDBU-YVHNNKAESA-N 428.580 0.621 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccn4n3)C[C@@H]21 1783530833 KYMJYRHPKQTTDO-ULPAQXSLSA-N 437.500 0.786 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1785572491 LLXFDFMWHKGTHE-VGOFRKELSA-N 445.520 0.630 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1785573235 SZUGXMBNARPMJT-KSFYIVLOSA-N 443.504 0.837 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788361073 WVDUXAQSLSTYIV-FKKBTLCVSA-N 441.484 0.649 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788414790 IJYRGWDUAWGMRJ-IEZWGBDMSA-N 430.505 0.932 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789509189 HAFMZCJLHNHXIP-BZSNNMDCSA-N 429.546 0.636 30 20 ICED 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CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793255235 WGMAVAABUOECHM-RACNMONISA-N 428.489 0.441 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 1793536310 QJPJYTUZCQOWBC-LVQVYYBASA-N 429.539 0.462 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)cn1 1794461695 OTLYICKNAAKFEG-CWPLJXCYSA-N 430.505 0.860 30 20 ICED NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccc1 1795673679 MFBKWMXXXZVFRX-ACNUINNJSA-N 444.532 0.848 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)CC1 1797706036 GAOXHQPCWTWCPK-BJWYYQGGSA-N 433.534 0.810 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1797744470 RBTHSELCUZDQKU-TULYONNXSA-N 445.564 0.449 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccccc1)C2 1797811101 GWLLQFIDGSSTNR-LEQHKDOCSA-N 431.489 0.839 30 20 ICED 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CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)C3(O)CCC3)CCO2)C1 1829743982 QWNCRMSXBNFTKD-HLIPFELVSA-N 425.526 0.795 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1829762589 MBSVESJUYIIHDL-NOABYQSRSA-N 435.521 0.260 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830183080 XVDHASWHIXVDAR-OAQYLSRUSA-N 434.514 0.574 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1830642558 DGZUXBOWALPHJF-RDPSFJRHSA-N 448.608 0.847 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1830707036 MZPUNUWANXJPKY-WYADAEROSA-N 438.521 0.623 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1831425134 QWLTVSMMYIPQKX-JUXOCIIHSA-N 432.521 0.519 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)C1 1831482290 CVJFVPCWFUXOJW-WCLQXYBISA-N 442.578 0.987 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831889712 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O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594190 LSXCCZAAPLALAD-HVHIPWAVSA-N 439.509 0.277 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5)C3)C2)CCC1 1840815279 HHNYXANKYKXKHD-HSZRJFAPSA-N 438.484 0.945 30 20 ICED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)C#CC4(O)CCCCC4)C3)CC2)CC1 1844283328 QGOXEDPERQEYBG-UHFFFAOYSA-N 428.577 0.668 30 20 ICED CO[C@H](C)[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)N(C)C(=O)OC(C)(C)C 1845092691 CNTBWVBOBNXXQC-PBHICJAKSA-N 437.493 0.548 30 20 ICED C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 21616202 KPSTZTZDDVKDCK-LLVKDONJSA-N 427.486 0.926 30 20 ICED CN(C)C(=O)c1cccc(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 109087022 ILOABLGKYSDPAG-UHFFFAOYSA-N 428.493 0.613 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 430414414 MTSSBSUVIAXVGB-GTECDBCCSA-N 434.581 0.923 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)Cc1ccccn1)CC2 439592406 KJPWNIOAJUIESU-UHFFFAOYSA-N 427.486 0.821 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)c1 440270042 RWDIYFKJTNUIDQ-GOSISDBHSA-N 428.470 0.965 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461373250 OUGQEEWZAXVMEK-AWEZNQCLSA-N 438.509 0.630 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)o1 461641238 HTYSKNJOEUHLHQ-AWEZNQCLSA-N 425.463 0.608 30 20 ICED C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(S(N)(=O)=O)c1 464824348 VGIMGKICCNYFSA-ZIAGYGMSSA-N 429.506 0.977 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1C#N 472868961 LSGJEQBNOMINLV-ZDUSSCGKSA-N 437.460 0.607 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 478862148 WJGMWIWHKONMKW-LSDHHAIUSA-N 428.514 0.179 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)c4ccccc4C3)CC2)o1 481749712 XEYLSZJHFBDHKL-UHFFFAOYSA-N 429.502 0.793 30 20 ICED COC(=O)CCN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)C1 487178088 FZIBOXFKGFGHPV-QFBILLFUSA-N 427.505 0.938 30 20 ICED Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494554117 TZJNONWXUDIOAH-UHFFFAOYSA-N 432.462 0.895 30 20 ICED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 504876750 ROKUYBJEORDHHH-UHFFFAOYSA-N 436.468 0.933 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 511232573 HSYZYXUFGOLIQN-RDJZCZTQSA-N 429.564 0.989 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514002029 RDHHGDUJKUQBOW-MGPUTAFESA-N 431.518 0.713 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)CCC2 516370890 WOYBOBWLXJRNQJ-UHFFFAOYSA-N 449.536 0.387 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3ccc4c(c3)OCO4)C2=O)cc1 516588339 UFHQBJSNTJWPKN-SFHVURJKSA-N 434.452 0.863 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 525686894 NDVXRUYMUFOMJX-UHFFFAOYSA-N 448.504 0.683 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 527170394 BRDWONQFVJMZEY-KRWDZBQOSA-N 426.399 0.886 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2OC)c1=O 531938667 ONSFYAQVRKKYNO-UHFFFAOYSA-N 437.543 0.282 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cccc(NC(C)=O)c2)c1=O 532799710 JXBPCXNJZMNSPL-UHFFFAOYSA-N 436.497 0.323 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3C(=O)N3CCOCC3)CC2)o1 532940916 PPIQUXSUPKXSTI-SFHVURJKSA-N 430.509 0.217 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)cc1 542285648 ICYYTJWYHIYPBA-MRXNPFEDSA-N 443.547 0.515 30 20 ICED CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 547714729 XBGXVSPRNLAQNY-UHFFFAOYSA-N 425.492 0.712 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nn1 551734232 AWAPTMQMMXUHAH-UHFFFAOYSA-N 426.311 0.590 30 20 ICED COc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 556654814 LERHQXLRADCOOJ-UHFFFAOYSA-N 438.506 0.663 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)c1 573039780 BRMCYOSHZDHNGH-RBUKOAKNSA-N 426.521 0.096 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 589157127 LKNYRXDZTDHVMC-JTQLQIEISA-N 447.900 0.895 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1 589631346 FCUFXAGYAHYGPQ-UHFFFAOYSA-N 438.513 0.829 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 605993364 QHNBQYNZBHDLFF-UHFFFAOYSA-N 437.503 0.958 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828706 IYIUXFSTNDRYHF-UHFFFAOYSA-N 436.468 0.695 30 20 ICED COc1cc([C@H](C#N)NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc(OC)c1OC 609007282 KLXMVIDFSNMAOR-ZDUSSCGKSA-N 441.444 0.596 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 609811360 CNCYJLHYJQNKPY-UHFFFAOYSA-N 437.522 0.001 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 610805112 WFBYCEQVXARTLV-RDTXWAMCSA-N 433.534 0.166 30 20 ICED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 610951665 YPQPQIXSFFETFX-UHFFFAOYSA-N 426.481 0.469 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1 682122997 LDFTYUIIQPBAHP-UHFFFAOYSA-N 436.534 0.909 30 20 ICED CS(=O)(=O)[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 741452117 YFLCFQNWUANTDW-HNNXBMFYSA-N 446.507 0.981 30 20 ICED C[C@H](CC(=O)N1CSC[C@H]1C(=O)NCC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742605287 YUSLEQCJULRBAH-DOMZBBRYSA-N 436.559 0.931 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743727641 QEHROGXEPZUCMA-UHFFFAOYSA-N 431.562 0.828 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NCCNS(=O)(=O)Cc3ccon3)ccc2c1=O 750077177 RTVRHLJRDDVGGV-UHFFFAOYSA-N 449.514 0.709 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(CS(C)(=O)=O)CCOCC1 756641993 ZSVYWBHMWWBTTD-CQSZACIVSA-N 444.531 0.610 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758057061 DEUPWOMOSQVZDK-UHFFFAOYSA-N 425.510 0.896 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 758070148 SKPRREGJDOFFNF-UHFFFAOYSA-N 445.504 0.266 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 758072699 XZNTUTSMDPFBQL-UHFFFAOYSA-N 428.857 0.886 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762942408 VPCWUUFLEYENRI-ZIAGYGMSSA-N 425.507 0.809 30 20 ICED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CCC1 771075911 KHYVOMGPCCTMLJ-UHFFFAOYSA-N 428.536 0.953 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(OCCCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783478963 HMJBPJDUCNNIDS-MRXNPFEDSA-N 436.486 0.606 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 783616266 GCBVQALMKBWSLA-UHFFFAOYSA-N 432.520 0.233 30 20 ICED N#Cc1cccc(-c2cc(C(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)on2)c1 789126993 ISRFOAJIKDIAHG-CYBMUJFWSA-N 432.414 0.383 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2n(C)c1=O 789404150 BMGGQIBSKMZDMT-ZDUSSCGKSA-N 437.412 0.308 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc2c(c1)CC(=O)N2C 804573652 OHYNCANIOQIUSY-OAHLLOKOSA-N 432.484 0.998 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[S@](=O)Cc3ccccc3)CC2)c1C#N 805411152 KTLRBBJPBVWVCI-HKBQPEDESA-N 442.545 0.314 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 807653335 BKPWSYZBXWWMBU-XLIONFOSSA-N 437.500 0.802 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)nc1 809429627 ULJARCXLBSMYFW-UHFFFAOYSA-N 434.456 0.875 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 810423501 XHOITBOFUFEWJR-UHFFFAOYSA-N 429.408 0.470 30 20 ICED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 810775494 IJFLOANWVIYBEC-QGZVFWFLSA-N 426.516 0.902 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838691273 UOLMUYROQJKAOJ-UHFFFAOYSA-N 429.452 0.938 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 916706011 YEEWEUKGKNCLEL-UHFFFAOYSA-N 442.497 0.520 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 916774153 CWKXFFPBCIKTQU-UHFFFAOYSA-N 438.487 0.036 30 20 ICED Cn1c(C=NNc2ccccc2S(=O)(=O)NC(C)(C)C)nc2c1c(O)nc(=O)n2C 920376615 LZJSXLPTCQVABH-UHFFFAOYSA-N 433.494 0.895 30 20 ICED CS(=O)(=O)c1ccc(F)c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1296943326 AVSBRPZJFRMCEL-UHFFFAOYSA-N 439.490 0.974 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1=O 1502308374 RKLVKGMUVDBSSZ-UHFFFAOYSA-N 425.493 0.876 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1503280709 RDVLOTUELJQZTQ-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1548316148 IRWOWDFWOPWARX-OAHLLOKOSA-N 433.490 0.880 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cn[nH]c2)C1 1555813912 VIFYQEQABFIHMV-WMLDXEAASA-N 438.489 0.019 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1Br 1622633348 MIEQATVFNZAKRH-QMMMGPOBSA-N 426.289 0.759 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1723946623 YPJSUSRUKPJOOQ-WBAXXEDZSA-N 425.559 0.085 30 20 ICED N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 1731187514 RFLXRJACSWNBEO-UHFFFAOYSA-N 427.513 0.818 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771537608 REWGIOIAVSGUKA-APWZRJJASA-N 435.481 0.286 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1779269951 CCPUPDYJKPNBOU-KLJZETAQSA-N 435.565 0.919 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1780174825 BUYJQIFADJTNIN-HXUWFJFHSA-N 435.502 0.445 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362620 OEMLDYIPQWOALK-GTNSWQLSSA-N 431.415 0.840 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)ccc1F 1780601976 VVCXSZAEBFNLEO-GXJJEBCYSA-N 444.507 0.477 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C(\C)NC(C)=O)C1 1781457882 SBVMBHOHAIPBQL-ODVWQCDBSA-N 432.521 0.399 30 20 ICED O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1781484002 LFKBKSVLVHYESY-HYBUGGRVSA-N 434.496 0.809 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1781961586 IRCWDVWONSRWAY-QFIPXVFZSA-N 430.480 0.863 30 20 ICED C=C(Oc1ccccc1O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010517 XOJFBLUQJFDOHR-XMSQKQJNSA-N 428.441 0.887 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CCO2 1783054031 QVSIRFXRSDCKNJ-UGKGYDQZSA-N 445.541 0.611 30 20 ICED C=CC[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1)NC(=O)OC(C)(C)C 1783871898 UISGVMKFOQVFNR-FZKCQIBNSA-N 441.525 0.136 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1783900624 JDFLJGGZVZQKNP-AUUYWEPGSA-N 431.555 0.676 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783923542 JNIZCVXVYIWOLS-PKTZIBPZSA-N 443.500 0.937 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1784539367 MHNKLNDJGGUEPE-GUEKAFECSA-N 428.489 0.537 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1785574428 JWNABGHWFSIXSJ-JTSKRJEESA-N 445.520 0.699 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c(O)n1 1785774153 QTFZUKUCEDDBMN-JQFCIGGWSA-N 426.477 0.931 30 20 ICED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1785863827 CTVWXUIFNDEHJV-SJSMJELUSA-N 449.508 0.551 30 20 ICED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nn1C 1786857559 RIOLAYWETFFFND-WDSOQIARSA-N 430.553 0.533 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1787411287 KWWQUXWAVRBSAS-PLYYQAHHSA-N 431.468 0.738 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788680935 AJPRJMVCXZPTID-DKPZLTAXSA-N 435.477 0.294 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)CC1 1789507657 KWZLEKUJKVZWPS-FKBYEOEOSA-N 439.560 0.789 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3O)[C@H]2C1 1790264540 OWDMQEIOUVXVGJ-MZUPBALQSA-N 429.473 0.550 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2 1792489162 KXRYEQOKKYJLFN-SNFMQTMVSA-N 425.485 0.683 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793344143 IOPHZDPDZWTOTK-ZJOBFFGXSA-N 425.441 0.063 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)ccc1F 1794012907 ZUAZAHXHIQVNHL-MUJYYYPQSA-N 427.436 0.430 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780756 KWPLZVVETORIAS-HUUJSLGLSA-N 428.533 0.807 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1OC 1798767821 WMTHHKJMMMGZDZ-SCAQPMJSSA-N 445.520 0.584 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1802124776 HUPJLRLOAUTRRW-HLPPOEQASA-N 449.533 0.658 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802603501 WHEYPUJXOXEBHK-NOORXXIUSA-N 439.516 0.472 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1803542807 JSMYBPVAZDLXBV-ALKREAHSSA-N 449.471 0.171 30 20 ICED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@@H]2c2cccnc2)O1 1803647262 XMQWNZRBGSUSDQ-CMKODMSKSA-N 440.500 0.894 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1819901221 CKVYBRRXUGGOTQ-WRQUAKKRSA-N 434.478 0.460 30 20 ICED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1821988256 RWYPIYLWWSYAON-HNNXBMFYSA-N 429.468 0.900 30 20 ICED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(=N)N)CC3)c(C#N)c1 1822808078 UEWRTDJFJRYHEA-ZDUSSCGKSA-N 441.517 0.661 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829012884 HXGZZSBHHZNMSZ-JOCHJYFZSA-N 436.472 0.363 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829713969 ULEJKTQJQNANIX-QFIPXVFZSA-N 444.557 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1829765462 XIVVNBPMBUUWSP-KSEXMQBYSA-N 448.564 0.177 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(CC)s3)C2)C1 1829770602 ZXYWOMAJMBRDRJ-QEVIJRNUSA-N 448.545 0.634 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1829773514 LUSIGZGGBFLSKQ-DKYZEMOZSA-N 431.489 0.527 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1829960316 MSGZYBDRGDQDTA-JPYJTQIMSA-N 440.500 0.463 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831687387 OIHOETNNYGWSLA-OXQOHEQNSA-N 429.583 0.560 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(N(C)C)o3)CC2)CC1 1834094696 ICZCIUUKLHDMTN-INIZCTEOSA-N 431.537 0.964 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)ccc1F 1834106535 YCWGODHUICIHDT-NRFANRHFSA-N 427.436 0.733 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834606092 LQCRTSOPBYLKQV-OAQYLSRUSA-N 434.445 0.219 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1834856310 ISNKNNUBZALTSI-JOCHJYFZSA-N 445.472 0.590 30 20 ICED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364872 JCIMJMJPRBQYNV-VGSWGCGISA-N 428.489 0.565 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn4ncccc4n3)CC2)CC1 1835392112 GIZVLOMPZWTTTH-QGZVFWFLSA-N 438.532 0.953 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1835713511 HVEZNKZECYBXOB-GOSISDBHSA-N 431.537 0.941 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1835778126 WPSKVODRECRKDP-WQZUMXOESA-N 429.521 0.549 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846513 JQJWJAPRSNXVCO-UGSOOPFHSA-N 425.511 0.596 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1)C(F)(F)F 1835999784 OZMNDZLZROCQLE-SFHVURJKSA-N 429.395 0.423 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944485 OMDVCONISPDJJU-VGOFRKELSA-N 441.488 0.146 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)CCO2 1837439214 JTIFCRABOIZJRN-HTAPYJJXSA-N 435.521 0.866 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488448 GUTPRYHLFCZOMK-QFIPXVFZSA-N 430.505 0.189 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524611 CPDIWAGYWLKMGX-DXLWNWQMSA-N 446.504 0.989 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)c1ccco1 1837525266 SZSCCMZDKSGSDE-FAKCTINISA-N 449.460 0.448 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837531458 NCBKWEBONZJXFP-PTJKWTKHSA-N 447.488 0.991 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1837662012 YVORYGYYXGSWQU-YCRPNKLZSA-N 436.509 0.033 30 20 ICED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@H](N)C(N)=O)CC3)CC2)c1 1837882370 YPKLWXUQZPRJOJ-FQEVSTJZSA-N 441.532 0.763 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949395 AKBYABQXHUZSHR-KSFYIVLOSA-N 428.489 0.543 30 20 ICED COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)ccc1[N+](=O)[O-] 1839137320 NDRZGSGIPXDLCU-FQEVSTJZSA-N 432.433 0.516 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420008 HUWPLTUJEWMCMF-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1839784550 PPKSWKGDIRXEIG-PBHICJAKSA-N 436.477 0.231 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1)C(F)(F)F 1839893143 PHGFPKFEDHBVSE-KRWDZBQOSA-N 444.366 0.363 30 20 ICED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840019570 REAKEKMQHZJITA-VGOFRKELSA-N 444.488 0.671 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840293118 HPQBGBZPYWJBIJ-GHTZIAJQSA-N 434.562 0.663 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](C)ON=C(C)C)C1 1845255671 LSMCNYVFOAJDPT-SFHVURJKSA-N 443.541 0.687 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2c(C(=O)OCC)ncn2C1 1847804129 DWDQVFCSSHZVPM-OWSLCNJRSA-N 442.516 0.862 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 410105077 HHHUPPJHUABJAH-INIZCTEOSA-N 428.536 0.420 30 20 ICED N#Cc1ccsc1N1CC[C@H](N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1=O 434831863 PHVYOZOBLNAYKC-ZDUSSCGKSA-N 449.514 0.423 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1ccccc1SCC#N)C2 467302242 FTZJUGZOUDCTQX-UHFFFAOYSA-N 429.506 0.203 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 473355320 GZVKZJZKACQDOU-HXUWFJFHSA-N 432.480 0.878 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)c(C#N)cn1CCOC 481464021 HDCXLRJYXRFKBI-UHFFFAOYSA-N 448.524 0.857 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 489031567 TWMMSRMQGDIBIN-UHFFFAOYSA-N 435.452 0.893 30 20 ICED O=C(NCC#Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 490151591 JGIATDNJRIBQTK-UHFFFAOYSA-N 427.482 0.814 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491471441 MFAFKMNTXCUCGF-UHFFFAOYSA-N 433.476 0.214 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCCC(=O)OC 501772978 JIXIBDTWPVIAKW-UHFFFAOYSA-N 449.554 0.499 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1nnnn1-c1ccccc1 502151395 GFBLAZZCYPPEBC-HNNXBMFYSA-N 431.460 0.455 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 508316496 IEJNLFRLUFWXKZ-UHFFFAOYSA-N 445.505 0.469 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 508366578 FQKVGYDATZZLCT-IRXDYDNUSA-N 437.518 0.028 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 508632142 SXRVHLGWUQZNAD-UHFFFAOYSA-N 428.367 0.755 30 20 ICED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c(OC)c1OC 509164458 OTKZZIXVZGYSDB-CQSZACIVSA-N 440.522 0.949 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)cc1 522120570 MLYQOIGEQCEXDO-UHFFFAOYSA-N 448.504 0.570 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 550216962 LWTCYFUEVHNEAE-UHFFFAOYSA-N 448.907 0.749 30 20 ICED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cccc(Br)c1C#N 550429778 ASCSARJVGQFPDW-UHFFFAOYSA-N 446.323 0.817 30 20 ICED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 554434503 AUWQVPNXILJPPP-UHFFFAOYSA-N 425.533 0.967 30 20 ICED CCN(C[C@H](O)COc1ccc(CCOC)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 559139923 HREFQHULDXOSNX-HKUYNNGSSA-N 427.523 0.406 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CC2)c1=O 559153861 OHZFFLACPYQBGE-UHFFFAOYSA-N 427.530 0.603 30 20 ICED CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCSC1 567067130 QKUCTELFICWYEZ-LAUBAEHRSA-N 429.546 0.329 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)CCC(F)(F)F 576071312 QQGPKQTVCNJXTL-UHFFFAOYSA-N 443.474 0.639 30 20 ICED Cc1nc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)ccc1C#N 603565696 OWGOBCJXHILSPL-HNNXBMFYSA-N 434.499 0.979 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 611431134 SKUWJRKKTDYBRX-RBUKOAKNSA-N 444.605 0.871 30 20 ICED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 619857969 JGNWZDJPJFKGDB-KRWDZBQOSA-N 445.549 0.782 30 20 ICED N#C[C@@H](C(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1)c1nc(O)c2ccccc2n1 725796489 VSIOVZNIXCWFOQ-INIZCTEOSA-N 431.456 0.828 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 728530816 UWBDMRDUNUHAJX-GFCCVEGCSA-N 441.351 0.523 30 20 ICED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCS(=O)(=O)CC1 732909759 GIFZIFNMDLHGBI-OAHLLOKOSA-N 434.470 0.777 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1c(C)cccc1C 743725525 UHUBMFUPWHPQHZ-UHFFFAOYSA-N 437.525 0.608 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCOC1 749869250 HDMPDJSBQJEAKP-HNNXBMFYSA-N 429.546 0.751 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 756451837 KIWOAORGWPVZMU-CYBMUJFWSA-N 437.453 0.716 30 20 ICED C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CC1 764449785 VBKZQJVDVKXUOO-UHFFFAOYSA-N 433.530 0.933 30 20 ICED C=CCOc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 768250580 VUQQZHIPPAPGMH-QGZVFWFLSA-N 444.575 0.895 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(=O)N(C)C 771916250 MAFIRJWKPROGMF-UHFFFAOYSA-N 436.946 0.518 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(=O)N(C)C 772302305 HWZWKKNZXNFEGS-UHFFFAOYSA-N 440.525 0.120 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCCO1 773802302 ZSASIPQPFJOWNQ-MPRODGEMSA-N 432.502 0.735 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2cc[nH]n2)cc1 780879838 SAVQAYKHQYDLSK-JLPGSUDCSA-N 433.494 0.774 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 782966037 IVTQPQXUPSGYFI-OAHLLOKOSA-N 426.466 0.828 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CC2)CC1 793212572 QMAYJSAIJLZJRG-UHFFFAOYSA-N 430.508 0.442 30 20 ICED C=C(Br)CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 806208357 OTIBYCPOYDBKFH-UHFFFAOYSA-N 434.312 0.252 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 807001967 NLFOCRRMMAZQPP-UHFFFAOYSA-N 446.460 0.751 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCO1 815474429 OJLUIPUDGPIISD-VIFPVBQESA-N 430.158 0.889 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1 815819891 SEVRRXDTOQQRML-JJIBRWJFSA-N 447.521 0.315 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1 918238690 LNZPBJWSNAPFDQ-HAVVHWLPSA-N 432.506 0.841 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1465544453 XFUFSVHBPXVIJN-LBPRGKRZSA-N 429.399 0.860 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1505137531 JTYBPKHABYRTAM-HXUWFJFHSA-N 446.533 0.440 30 20 ICED CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1509594884 PRHSJFKOCFOCBM-UHFFFAOYSA-N 433.538 0.816 30 20 ICED CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1517189256 YWZWSKGLUMPSNJ-IBGZPJMESA-N 428.474 0.991 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1554471136 LYZFYUKQEAXZEZ-UHFFFAOYSA-N 425.493 0.638 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)C2CCOCC2)C1 1686529548 ZWFWYTAOUZUSNG-DZGCQCFKSA-N 430.527 0.638 30 20 ICED COCCN(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1698024277 JWHHDMWOFSVVTP-INIZCTEOSA-N 428.497 0.622 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C1 1729594492 JNORBEBRQXNVDE-CXAGYDPISA-N 436.314 0.831 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nccs1 1741944109 KQGIZIZVTOFRFV-STQMWFEESA-N 425.540 0.706 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)C(C)=O)C1 1778105396 CXXKMSNLABORAJ-RADWXHQJSA-N 437.537 0.877 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779201937 RFXCSZDXXSIAGT-VSIOZEBNSA-N 428.493 0.322 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1779602622 MABFQYXHRZVYDM-QEOZXUELSA-N 447.496 0.917 30 20 ICED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779982706 WIHZMFMLORXPHA-QFIPXVFZSA-N 434.456 0.854 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c(C#N)c1 1781175250 GREYQRQJMXBYTO-QFIPXVFZSA-N 438.488 0.621 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1781268350 NYJHDSNJNKYSRH-NRFANRHFSA-N 448.476 0.651 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781293914 FWTDOUSHGOMMFR-UZQCKINESA-N 440.475 0.928 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781905962 DDKAJUCXELAGJA-LJQANCHMSA-N 449.305 0.900 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c(CC)c1I)CCO2 1783048624 FIRGAMBRJQKTGY-INIZCTEOSA-N 442.257 0.653 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783153569 SCBTUDYYBGTMSL-VFNWGFHPSA-N 438.525 0.551 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783336206 NSVADXKTYPDPMT-WMZHIEFXSA-N 428.533 0.702 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783756627 QVUAQYPIAUFIOS-HSZRJFAPSA-N 431.533 0.527 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1785379913 HJGUAQNXALDPJQ-YLNCNTMDSA-N 438.484 0.602 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC(=O)NC)C[C@@H]32)c(O)n1 1785772646 IVSYYXKCTRWWGG-WBAXXEDZSA-N 430.505 0.635 30 20 ICED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788629875 IOXSFHPJJKHTRS-BZSNNMDCSA-N 442.516 0.777 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632182 JYGWBRONFCLWDP-VJANTYMQSA-N 448.564 0.372 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788749544 GIWMMGYEQLSTKK-VJANTYMQSA-N 445.516 0.898 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)[C@H]2C1 1790255101 WZGGERCQSJWLKW-NUTKFTJISA-N 439.921 0.938 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1793009889 HYYLDWCPJZZTFW-UGNRZPKXSA-N 447.557 0.665 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088048 ADCSJYAVCNXKDE-WQDJSCAQSA-N 447.532 0.958 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)s1 1795821488 GDWIQBXHDWJDRA-YSVRVWLWSA-N 437.522 0.508 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797171408 KOCBLVNLBLACJK-OPOADAIRSA-N 442.516 0.521 30 20 ICED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1 1798104664 IGMXEVQZGIVSLM-UHXXWTPBSA-N 432.477 0.822 30 20 ICED CCOC(=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 1798267662 UGMOHISTNQCGOY-UYZPWGKISA-N 426.470 0.218 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799683742 MHPIBLISTBQJGB-GAGVYUBLSA-N 442.513 0.220 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799752059 BSAZYHHGULMYQJ-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1800981296 UHPRAYQCEMGEOJ-ILCCUAOLSA-N 431.558 0.943 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1807149518 HRFYCPXAWDINSZ-IMFGXOCKSA-N 440.548 0.895 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1809667279 YPXQPLJKHVGNPE-TZIWHRDSSA-N 440.548 0.801 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)sc2C1 1817245949 XALROTWZRHQNSR-ICUOPCATSA-N 449.558 0.896 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819952436 SSADNUDNZZFLBP-PHYKAPGVSA-N 449.489 0.832 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829630143 UHYDPCBXKIRGKH-JOCHJYFZSA-N 438.488 0.390 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1829907631 MOUDTBWPOBDDMY-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830903248 IQMLZYCZQKLYRS-MADWKMQDSA-N 447.444 0.696 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1831386322 FEZJQCQNGKEXDC-HTAPYJJXSA-N 431.489 0.127 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1831427719 YTVPAQWGUQRDQC-JTSKRJEESA-N 443.504 0.699 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](S)C(C)C)CCO2)C1 1831497182 ACMCGXYGDOMIOW-QRWLVFNGSA-N 430.567 0.987 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccnc(C)c3)CCO2)C1 1832619923 XIQQKIBFTUGKPP-WMZHIEFXSA-N 429.517 0.817 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1 1835102344 RCASDSOMMVVWEG-QPPBQGQZSA-N 425.529 0.836 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835212903 VOOGUHHQAAADCR-KUHUBIRLSA-N 431.555 0.628 30 20 ICED CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C 1835677336 FMACRQODUAHTQS-QFIPXVFZSA-N 446.552 0.563 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1835677376 GXXNOQCWHBCQBF-JOCHJYFZSA-N 429.521 0.742 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836050049 MRAGFDDBVKCGRX-QFIPXVFZSA-N 444.536 0.147 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1836152678 XXAKKLGTGJVJMO-KKSFZXQISA-N 439.476 0.070 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1837403578 NWNMFEQKHIYCJS-SELNLUPBSA-N 439.597 0.994 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493341 AFAOVCCAWIHMFU-HSZRJFAPSA-N 435.565 0.482 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837531646 RZHZZGYQAVAMJT-LRHHQANISA-N 446.504 0.610 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c2c1CCC2 1838737549 YOKXWHROVSDECN-QFIPXVFZSA-N 438.488 0.492 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838841980 YYVMCQGYSGSMNF-QFIPXVFZSA-N 431.489 0.972 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085039 UDPGYXXNAWWAJW-YDHSSHFGSA-N 431.533 0.647 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839222930 FSWHVNNFSJIINI-HTAPYJJXSA-N 448.520 0.890 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1839225372 HZEAKJCVCMNWAJ-BTYIYWSLSA-N 444.492 0.829 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228783 OTFXWFQBGTZIGM-MDKPJZGXSA-N 440.541 0.549 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840169498 HXYDSLSZCQESNE-QFIPXVFZSA-N 440.537 0.316 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840343072 JMOIOVOELPICBS-NVIZVJJSSA-N 442.516 0.578 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1843974838 SQBWLQGXGXNUKZ-UHFFFAOYSA-N 449.515 0.416 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845131958 MBHRCGTXNUSHFF-OAHLLOKOSA-N 434.541 0.370 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1847071457 TUNBFOOTYMYLNB-HOTGVXAUSA-N 432.521 0.633 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1 427657974 UHBMXIGOOSBHCP-WZHMEBQRSA-N 447.470 1.447 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@](C)(NCC(=O)OC(C)(C)C)C3)CC2)o1 440517130 VBYHXJSLOWJRGM-QFIPXVFZSA-N 446.552 0.899 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1OCC(F)(F)F 442448404 WPKCBSDHBAFYAA-UHFFFAOYSA-N 437.338 0.212 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2ccccc2C#N)CC1 443136527 XBQFUXASBNXXMT-UHFFFAOYSA-N 434.543 0.973 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 446685863 BQQJOASLQHUHCN-UHFFFAOYSA-N 439.457 1.396 30 20 ICED CN(CC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)S(=O)(=O)c1ccc(C#N)cc1 448172559 CJODHMFOYJZFJI-AWEZNQCLSA-N 432.424 0.848 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)cn1 460684910 IAIOJPBQIZJOAA-UHFFFAOYSA-N 445.486 0.234 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)CC2)c1C#N 472885734 YKCQQAHSRPNHBN-SSEXGKCCSA-N 432.481 0.764 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480219361 WFOAXJAYOOEDPE-UHFFFAOYSA-N 427.482 0.133 30 20 ICED COCCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480669926 VNJCTEVUNJFEMH-HNNXBMFYSA-N 436.534 0.616 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](O)COc3ccc(F)cc3)n2)cc1 492898691 ZJLQTXFAKQZSNB-KRWDZBQOSA-N 438.419 0.832 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)no1 501952021 QAUKAKJROOFJLE-HNNXBMFYSA-N 435.462 0.622 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 502101405 RZURQYFLGDBSER-AWEZNQCLSA-N 444.556 0.777 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)nc1 504504519 ZVDSJVOSBLJAQQ-UHFFFAOYSA-N 439.476 0.964 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1C 505661728 NHDUTMWAEMHLKK-UHFFFAOYSA-N 442.360 0.927 30 20 ICED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cnn2C)c1=O 505683487 JVXMWHZEISQVGH-UHFFFAOYSA-N 447.586 0.067 30 20 ICED CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 505855975 SUQGMGZHXOFLDV-AWEZNQCLSA-N 436.476 0.567 30 20 ICED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 507922583 KZOLMUZGGBPRKO-PMACEKPBSA-N 434.562 0.326 30 20 ICED COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508313628 AVBHWUZMNBADNL-UHFFFAOYSA-N 439.201 0.593 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)n1 508363249 NMGXCKREOLRBHG-UHFFFAOYSA-N 429.238 0.853 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 508427699 ISHNAJJSJBSBCI-MRXNPFEDSA-N 434.518 0.614 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)c1C#N 511612186 BWLQYPXUTOUEMW-DYESRHJHSA-N 449.559 0.886 30 20 ICED C=CCn1c(Cc2noc(-c3ccccc3OCC(N)=O)n2)nnc1N1CCOCC1 514888295 SBOISKDMUUKSNV-UHFFFAOYSA-N 425.449 0.806 30 20 ICED CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521553320 YIJMQROWUTUARD-UHFFFAOYSA-N 430.486 0.936 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 523466823 YYXGZIZTCUKQAR-UHFFFAOYSA-N 435.889 0.577 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 527243812 ONKIJELFFSLCFK-MRXNPFEDSA-N 446.552 0.757 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 532105120 AVJCWJVGWZANBH-AWEZNQCLSA-N 442.501 0.394 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 532203852 JSYNVCWQXRMVCR-CYBMUJFWSA-N 441.469 0.916 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 543219474 QQCYQRQEEOXCQC-QGZVFWFLSA-N 442.476 0.658 30 20 ICED CNC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 543847817 IURCQRMMUMDTOZ-BEFAXECRSA-N 429.521 0.803 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(COC)o2)c1=O 548289675 UVFZNPBSNGZBGB-CQSZACIVSA-N 432.498 0.794 30 20 ICED CN(CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 558055715 FRVHNTMZKUUYFE-FQEVSTJZSA-N 441.532 0.081 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2=O)cc1 559509813 DFHVOYUSQZYBCS-SFHVURJKSA-N 449.515 0.847 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1-c1ccc(C(N)=O)cc1 564783085 CJFGSEVPQUEHMK-UHFFFAOYSA-N 444.925 0.962 30 20 ICED CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 582628788 WZCBCOSDNAFAOK-IBGZPJMESA-N 428.537 0.122 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1C1CC1 590997449 SEGWGRGJCSVDFV-UHFFFAOYSA-N 429.498 0.528 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOC[C@H]2CCOC2)cc1 598366615 XUOODWXTIWLNFV-HNNXBMFYSA-N 425.507 0.601 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604269824 DWOOLDVQUGUARE-UHFFFAOYSA-N 438.553 0.868 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828292 NGLFDEWLUATDFS-UHFFFAOYSA-N 432.505 0.864 30 20 ICED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CCN2C1=O 611430308 WXMCCBVLZIVUPK-CVEARBPZSA-N 430.534 0.425 30 20 ICED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC#N)CC2)cc1 611645177 XEAVIHXGWRKBBL-MJGOQNOKSA-N 434.562 0.776 30 20 ICED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 612597811 OKRLCDSCJOTFKJ-UHFFFAOYSA-N 440.481 0.874 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(=O)N(C)C 618639162 BGCYDRQCERESRD-UHFFFAOYSA-N 449.536 0.575 30 20 ICED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 618800423 JJPHAGQGDDCHOM-MRXNPFEDSA-N 443.485 0.954 30 20 ICED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 727111984 KYYAGDGSEACHIY-UHFFFAOYSA-N 435.424 0.810 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 729282188 ZKZOOHMVJPSAAR-HSALFYBXSA-N 442.560 0.636 30 20 ICED N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908715 PTMZOADUWGPYCI-MRXNPFEDSA-N 439.515 0.051 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758077526 XGDKOVCKZHTCRQ-UHFFFAOYSA-N 438.465 0.655 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cccc(O)c2O)CC1 758559242 RTXWZJCWIQXFHX-UHFFFAOYSA-N 445.453 0.659 30 20 ICED N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 760363045 XWIYJQYCGOCOKK-UHFFFAOYSA-N 432.458 0.356 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 767067475 AFZRUJVHXMTBKQ-ZDUSSCGKSA-N 425.486 0.599 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769638681 JURATEXRWODFLM-UHFFFAOYSA-N 443.573 0.783 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 772110733 WWRSMJOZWUAURF-QFIPXVFZSA-N 442.472 0.382 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)c1cc[nH]n1 772268486 VELDJSAAKBFFPT-UHFFFAOYSA-N 437.478 0.406 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1C#N 775199597 XLSZENVMXWMALL-GDBMZVCRSA-N 431.449 0.817 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 783014909 XSTBQYJPHLDYFZ-UHFFFAOYSA-N 443.547 0.506 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCC4(CC3)OCCO4)C2=O)cc1 787410268 UTDXDIMHRASFSH-GOSISDBHSA-N 426.473 0.577 30 20 ICED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787756143 YWPHUKNUULYMND-CYBMUJFWSA-N 430.490 0.267 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800100372 PQPXGEQNSITKCQ-UHFFFAOYSA-N 445.567 0.287 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 805983809 NOFUPQBEDZWILA-LSDHHAIUSA-N 430.486 0.911 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808040564 IJSMEKKOCDFXPC-FUHWJXTLSA-N 442.520 0.975 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCN(CC)CC1 816730994 XCJQSRITSWPBAY-KRWDZBQOSA-N 449.577 0.564 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1 839264489 XIJYECITYFEHFE-UHFFFAOYSA-N 437.525 0.916 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 857838980 SJLDXRSAMPQTNM-OAHLLOKOSA-N 425.507 0.792 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 914819401 PYSFFDHBSNOWCO-ZBFHGGJFSA-N 447.517 0.728 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)CN(C)C)CC1 914858556 HGGCZCOAQPCGQT-KRWDZBQOSA-N 449.577 0.516 30 20 ICED COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 918729388 BNTUDVSLWJLFKK-UHFFFAOYSA-N 447.314 0.796 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cnn(C)c1 919131686 JVJIZXUPPAHRMO-CYBMUJFWSA-N 426.520 0.906 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 919757421 PGFCKZCPWGUURL-CQSZACIVSA-N 435.527 0.997 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1288869591 IQARKWUSSWTXBF-IKGGRYGDSA-N 439.586 0.882 30 20 ICED CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1295075143 OYVXBMRJKREEQY-CVEARBPZSA-N 439.524 0.637 30 20 ICED COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1=O 1298846142 IQWZHHJIYAMHIM-MSOLQXFVSA-N 431.512 0.819 30 20 ICED C=CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1321028131 LHYZDXUUAHKKDY-MRXNPFEDSA-N 446.547 0.802 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1359467628 VTFGNPZSYHCLDY-HZSPNIEDSA-N 432.572 0.451 30 20 ICED CNS(=O)(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1517632880 KBRVYMIFPGGFES-CQSZACIVSA-N 447.569 0.502 30 20 ICED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1519607689 ZBYIRRCBWRKPQU-UHFFFAOYSA-N 446.533 0.752 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1555809718 ZYDTWYVAUQEAGY-RDJZCZTQSA-N 443.533 0.410 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)CC2=O)cc1Cl 1556961747 IZRBGLXJKJOICK-KBRIMQKVSA-N 437.905 0.979 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCO1 1622367117 RPZDXBWDOLJQPD-LSDHHAIUSA-N 438.472 0.968 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1705681210 PJJUGXJOIBPSOO-JTQLQIEISA-N 442.361 0.032 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1710873847 RCLDQHQBGJDJQK-MRXNPFEDSA-N 430.490 0.892 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1710984664 ZIEKGJRUYVXXLN-INIZCTEOSA-N 425.493 0.909 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1711028328 RPNSDWVSKFNHAD-KRWDZBQOSA-N 444.517 0.299 30 20 ICED CC(C)CN1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1723476600 YEHIULJWPYLIEC-QZTJIDSGSA-N 431.541 0.486 30 20 ICED CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cn1 1728218590 MZVNEZYSPKXWPT-GDBMZVCRSA-N 449.537 0.849 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1729739920 XDHKQGWWHBPBED-MRXNPFEDSA-N 447.565 0.523 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1730764063 QOJFJEWHGYJJJE-IAGOWNOFSA-N 440.570 0.267 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740743096 LYGFFRUECNWDAV-GFCCVEGCSA-N 447.359 0.610 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1764304807 WERDYPPVQAGBBH-LSDHHAIUSA-N 428.559 0.900 30 20 ICED CCN(CC)C(=O)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1764868117 LGZLXNQOFMVXFI-KSSFIOAISA-N 443.549 0.979 30 20 ICED O=C1NCCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)cc21 1778380458 WUHNTLMWGZIUON-DEOSSOPVSA-N 447.495 0.512 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017885 WRBGVCLEIUDUTC-RJXMGOQGSA-N 428.537 0.253 30 20 ICED CCOC(=O)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1780112262 JLFLTVAXSYNXRU-OAQYLSRUSA-N 432.404 0.534 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2C)CCO3)c1 1780173084 VQVJUZFSURCQDX-AVRDEDQJSA-N 426.473 0.631 30 20 ICED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203479 VQSSYCLRKWWHOJ-HXUWFJFHSA-N 426.433 0.426 30 20 ICED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccncc2=O)C3)c1 1780350108 RACPECNWFDUMJM-AUSIDOKSSA-N 435.484 0.943 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)[C@@H]1SC(=N)NC1=O 1780597655 OHIGUZXCQHNBQX-PCMMCCAGSA-N 441.513 0.804 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1781269571 ZZIJHIMKLWSJHX-NRFANRHFSA-N 427.461 0.682 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)c1 1781961285 LOQJUHQFYIJMGN-JOCHJYFZSA-N 440.431 0.456 30 20 ICED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)C/N=C/c5ccco5)CCO4)C3)(C1)C2 1783443387 KIWZGYCMSUVGBK-NGESZCOYSA-N 429.473 0.872 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757221 XPXUYJCLGMUGCC-QEPGBGQSSA-N 436.509 0.358 30 20 ICED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783921219 LLNYKKPZMXINGU-YCRPNKLZSA-N 439.509 0.849 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)c1cccs1 1784116026 SLJXMSCTXDFHDE-SHTLVRLNSA-N 443.481 0.242 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cncn1 1784476522 LJUGYAKPRZRZCI-QVKFZJNVSA-N 426.452 0.922 30 20 ICED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)no1 1785273155 FLFKEXHHHMZXLF-BZSNNMDCSA-N 430.505 0.599 30 20 ICED CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CCC4)C[C@@H]32)nc1 1785711666 JKAXUMQRQUDWHM-ZVZYQTTQSA-N 446.529 0.772 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4CN(C)C4)C[C@@H]32)c(C#N)c1 1789842583 FFPQWTJKKWZCFA-NDXORKPFSA-N 426.517 0.651 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4)CC3)C[C@@H]21 1791073173 PBYNDMMXQHWHNH-JBACZVJFSA-N 439.512 0.971 30 20 ICED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)cc1 1792424734 QKXPDMFAIZTSRY-CWPLJXCYSA-N 437.456 0.595 30 20 ICED CN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CC1 1792554844 NSBQUSBWNNVGAQ-HATOLVCRSA-N 426.517 0.868 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c(O)n1 1794488714 MVTLTSCUBNBKAO-CCWDJLKJSA-N 444.488 0.561 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1797700943 XDBYGNTXOFPLTB-FZDIXFNVSA-N 427.505 0.663 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799640874 ATNAENQLRQOVIW-DQEVTTJGSA-N 448.545 0.284 30 20 ICED C#CCCC(=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 1802025156 KJYBPDGUYGEOAT-JMEXBRRFSA-N 447.532 0.768 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1804774879 YWDCQLMTMKEQRQ-HTJWAQAGSA-N 435.484 0.893 30 20 ICED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806082277 ADHQUZGFKAQKCN-JDFRZJQESA-N 428.518 0.659 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CSc2ncccn2)[C@H]1c1cccnc1 1807577019 QGFZERFFJFZBRX-DNVCBOLYSA-N 425.470 0.758 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)C=CC3=O)CC2)C1 1809777801 XNWIZBNIBQRBAZ-UHFFFAOYSA-N 429.521 0.424 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810352473 BMMCAPCMXYWHGP-JKBKZWBZSA-N 446.548 0.311 30 20 ICED COc1ccnc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1OC 1812877038 AVTYZLQUGYNLDE-MGPUTAFESA-N 438.440 0.901 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814918880 HDXRHOWJVXUVOI-LBPRGKRZSA-N 432.554 0.177 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)sc2C1 1822630437 OBLQAZOLMBPYIT-UPJWGTAASA-N 430.486 0.544 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636418 ZQFFHDIATFMQQW-JOCHJYFZSA-N 428.489 0.083 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1829766398 WNXUCACCSKXFCP-PRPIBZDOSA-N 437.880 0.861 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c1 1829825433 HCCCRIWQRZAUAS-SIKLNZKXSA-N 425.441 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830921176 JTLJLRHANZCPAK-HSZRJFAPSA-N 445.516 0.898 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1831386664 ICXYGTOIKOJBEH-UWJYYQICSA-N 433.530 0.668 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832521447 BPKAKBDPDYJCRQ-DBGYWNFCSA-N 438.565 0.815 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(=S)NC)CC2)CC1 1833468792 WKKOQKOYAUBZCL-MRXNPFEDSA-N 437.610 0.080 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835293366 FEWPOYTYKNCZHJ-HQPGMAAXSA-N 443.500 0.035 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338888 XMOSGZZEGITCMA-ZHRRBRCNSA-N 448.520 0.756 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836080763 ZAQKNSCCEGEYAM-MGPUTAFESA-N 438.550 0.419 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4snnc4c3)CC2)CC1 1836102684 HEEFFAFHDUSHPS-UHFFFAOYSA-N 442.501 0.360 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836141354 LFCTVASANIRYEO-JTSKRJEESA-N 438.488 0.675 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296775 KKNOALLNUPAYMQ-PNHOKKKMSA-N 435.502 0.496 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837304804 KTOFCRGBCUHHHP-BTYIYWSLSA-N 432.477 0.726 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837396595 GPNBZMDEWLRLHR-GCJKJVERSA-N 432.521 0.439 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837398825 KAESZZLONYEBTL-XXBNENTESA-N 442.516 0.977 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440672 SYPHDXLIEZJXGS-IGPUNGKJSA-N 446.552 0.579 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1837526497 FBBAALBSUMQARS-ITRQMNGQSA-N 435.481 0.019 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803905 YUBSSFXYELVSOX-FQEVSTJZSA-N 437.581 0.890 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838904386 ANRSISIDFUBTMZ-HXUWFJFHSA-N 442.501 0.835 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1839175783 FXKJOXODQUIXQD-QFIPXVFZSA-N 448.520 0.629 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1839418956 DRAGBOBLRUOOFS-KSFYIVLOSA-N 444.463 0.294 30 20 ICED Cc1cc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2[nH]1 1840044300 CEWVZNCZZKWMLZ-QFIPXVFZSA-N 425.441 0.634 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1840163227 FLLBOCNKSVBKOE-VGSWGCGISA-N 449.573 0.912 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840291418 UVSCKLICRULFNE-BTYIYWSLSA-N 435.477 0.002 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1840410755 RHBFXRQYKKNMEJ-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c(O)n1 1840831466 RDTPVTKPUGAMQB-HSZRJFAPSA-N 443.500 0.955 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1840840779 NJCIZEPQDMZIAD-NFBKMPQASA-N 443.500 0.954 30 20 ICED CNC(=O)CC(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)C2 1841562121 BBRVSFJXHTUCOC-OAHLLOKOSA-N 442.582 0.928 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845580981 NNLSJPGCNSQKFO-ZDUSSCGKSA-N 429.502 0.932 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)C2 1846195692 SWKKZJSUOAGUFM-UHFFFAOYSA-N 425.441 0.737 30 20 ICED CCS(=O)(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 31221620 JEFFFIFKKDTFFM-UHFFFAOYSA-N 428.536 0.014 30 20 ICED Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)ccc1C#N 32705856 IGOLJKUCLBRVHV-UHFFFAOYSA-N 426.458 0.578 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 410145936 QPXRVVHSYLIENK-SFHVURJKSA-N 427.958 0.911 30 20 ICED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 427696339 PNJYREFHLDNNIV-HNNXBMFYSA-N 440.479 1.533 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cn1 427712218 CERMZUGFIZEKST-RRYILBCDSA-N 430.468 0.703 30 20 ICED N#CCCn1cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(-c2ccncc2)n1 435131512 ZLZNSIYLHRLGMC-UHFFFAOYSA-N 435.488 0.652 30 20 ICED C=CCN1CC[C@@H](N(C)CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1=O 440495478 BWKMSQUWESKXDF-OAHLLOKOSA-N 429.564 0.429 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2cnc(N(C)C)nc2)cc1 441610700 MPICSLCAXFOLOL-UHFFFAOYSA-N 446.533 0.946 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 445131728 GHNQXJZVPKLITP-CYBMUJFWSA-N 438.444 0.819 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 461724266 FKYFAMIMMUEVIS-UHFFFAOYSA-N 433.494 0.220 30 20 ICED CS(=O)(=O)NCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 463213391 OUBHAJBCBVCYQL-IBGZPJMESA-N 437.541 0.548 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)cc1 463293988 PGZJCEGQYOCAPF-UHFFFAOYSA-N 426.498 0.775 30 20 ICED CC[C@@H](C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 474064333 ZWFLTTBGOZGXAV-OXQOHEQNSA-N 429.521 0.267 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCC[C@H](C)C3)CC2)c1C#N 477912218 SZRXCTBTKIBHLF-AOMKIAJQSA-N 429.569 0.876 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 479874003 RBXOYKPGYZWTNU-KRWDZBQOSA-N 447.561 0.382 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1Cc1ccon1 480946445 CKWNSHUVXIBWJA-UHFFFAOYSA-N 446.435 0.490 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C 483677635 FFEMEVUAZRDTMF-UHFFFAOYSA-N 438.488 0.909 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1 488632896 VORREJFPXZNBOL-UHFFFAOYSA-N 448.423 0.622 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccnc3-n3cccn3)C2=O)cc1 488650792 CEAOFACCUGIUBO-GOSISDBHSA-N 429.440 0.995 30 20 ICED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 499042539 FYTOYSZWSZVQIM-OALUTQOASA-N 432.546 0.484 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C 504523470 CMDWPLZHXRIDBR-UHFFFAOYSA-N 437.504 0.482 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)n1 506824962 OFDXPENRQHXOBE-UHFFFAOYSA-N 436.538 0.865 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 511043274 HROWPUPQIXYZQB-UHFFFAOYSA-N 438.959 0.623 30 20 ICED N#Cc1ncn(CCNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)n1 511398542 PKEHGFPALLWQKH-UHFFFAOYSA-N 425.268 0.775 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 518019139 LNQKHTKBVDDUOM-CYBMUJFWSA-N 432.520 0.184 30 20 ICED N#Cc1c[nH]ccc1=NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 518535190 AFDMULYGXHBJRC-UHFFFAOYSA-N 439.453 0.902 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)s2)c1=O 531655929 VJUBMTPPYUORJA-UHFFFAOYSA-N 437.543 0.282 30 20 ICED CC(C)c1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 534199144 AWZGHJKUWUXIEP-UHFFFAOYSA-N 429.502 0.771 30 20 ICED CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)co1 534431355 IFTMQZQIJLUPSU-UHFFFAOYSA-N 438.487 0.206 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 541400000 JCXATNGNBLEOQA-UHFFFAOYSA-N 426.477 0.600 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CCN1Cc1ccccc1 550203637 SVGXPXYQHBBJKR-IBGZPJMESA-N 435.532 0.900 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3cccnc3N3CCOCC3)CC2)cc1 556006111 HTHINHDMFPDAKM-UHFFFAOYSA-N 448.527 0.750 30 20 ICED CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560053209 NLJGMYDINALVHW-UHFFFAOYSA-N 449.500 0.938 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 572202463 RJDIFRGZLSZASD-FQEVSTJZSA-N 441.532 0.367 30 20 ICED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 589034869 WQGHYORLVLTLGL-UZLBHIALSA-N 449.515 0.246 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccnn3C)C(C)C)CC2)c1C#N 589213663 VUPNKNVYEDRCNR-QGZVFWFLSA-N 426.525 0.538 30 20 ICED Cn1c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C#N)c(=O)n(C)c1=O 589786039 FKCLRCDYLKUOBW-UHFFFAOYSA-N 439.497 0.620 30 20 ICED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604031754 GITZHCFFJSRCEE-NSHDSACASA-N 439.437 0.501 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 604195738 PWDHMUUDKVSAGL-UHFFFAOYSA-N 432.488 0.993 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 608553257 PASANRHCCHNZRL-CXAGYDPISA-N 439.476 0.976 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1C 608783284 BXRWSAFPGLIGBJ-GOSISDBHSA-N 448.524 0.945 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(=O)N(C)C 610955677 RLFGIZFWLFWULH-UHFFFAOYSA-N 438.509 0.772 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(=O)N(C)C 610955679 RLSGSALBYKWAGA-UHFFFAOYSA-N 438.509 0.773 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 611005588 DMRUVNIMOSBSHP-INIZCTEOSA-N 429.458 0.834 30 20 ICED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 617022542 MGIRUFIPNNCFET-JKSBSHDWSA-N 438.488 0.679 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 728532861 MOLIKQAMBOAINW-IBGZPJMESA-N 432.546 0.123 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 728611431 FJADAMVFZPAQIY-UHFFFAOYSA-N 436.306 0.656 30 20 ICED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737305592 PIFNHWXGPFOZMC-OSEFQUDUSA-N 440.522 0.342 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 744007191 CGYNFNBBELMDFL-UHFFFAOYSA-N 449.510 0.680 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749855660 HCRZREJPRASFJL-HNNXBMFYSA-N 429.546 0.438 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cc1 754973147 KACMBHNWSNWOLL-UHFFFAOYSA-N 431.499 0.588 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758053661 VOTHLBJJBMIVSY-HNNXBMFYSA-N 428.539 0.880 30 20 ICED CN(CCCNC(=O)CON=C(N)c1cccnc1N1CCCCC1)S(C)(=O)=O 762713587 ZBWUOYZDPWSJIA-UHFFFAOYSA-N 426.543 0.107 30 20 ICED O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 767343325 IDFQXXDPNHRJHW-HNENSFHCSA-N 425.397 0.702 30 20 ICED CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 768346693 NYOOOXXIJPBNTE-QJOMJCCJSA-N 449.533 0.423 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 772309794 AMVNMVILCQVNPR-OAHLLOKOSA-N 439.541 0.805 30 20 ICED N#CCNC(=O)COC(=O)c1cc(I)ccc1N1CCOCC1 778484176 XZLLXORQFIIBGW-UHFFFAOYSA-N 429.214 0.924 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781244384 UJALDJBGTIMOOZ-HTXNQAPBSA-N 435.400 0.394 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1=O 781599475 RLOFWNOQFIVAJR-UHFFFAOYSA-N 430.417 0.699 30 20 ICED N#CCCNC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 781967544 DLRSTPKMKBKPOV-UHFFFAOYSA-N 426.174 0.454 30 20 ICED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783954775 YHZXMCSYJJGYHT-UHFFFAOYSA-N 438.444 0.967 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CCOC 793467543 FUHYNZYABGYEDO-UHFFFAOYSA-N 441.553 0.701 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 795842097 HIDWKIBVFVMYMF-UHFFFAOYSA-N 432.861 0.833 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCC(O)(c3scnc3Br)CC2)CCO1 800138089 JCXIRNPZURPSPR-JTQLQIEISA-N 437.341 0.658 30 20 ICED N#Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)o1 804939434 MFILEVRLBOFJGB-UHFFFAOYSA-N 425.444 0.802 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)[C@@H]1CCSC1 820133082 MWIBVCNQYSHZBO-OAHLLOKOSA-N 438.575 0.391 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 821044855 MDONDAHQJTXTBT-OAHLLOKOSA-N 449.471 0.894 30 20 ICED O=c1c(C=NNC(=S)NCCN2CCOCC2)c(N2CCCCC2)nc2ccccn12 915926644 XKLNNIHCZWCYKJ-UHFFFAOYSA-N 443.577 0.815 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCNS(C)(=O)=O)cc1 916719638 GFMUOHWYOWBNDL-LTGZKZEYSA-N 445.567 0.950 30 20 ICED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916909738 UGUMJYAANALETR-OAHLLOKOSA-N 436.472 0.906 30 20 ICED C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1)n1cncn1 918268394 COBVBBRZCVGLIN-AWEZNQCLSA-N 447.459 0.911 30 20 ICED Cn1c(=O)[nH]c(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(C#N)c1=O 1164190995 UISSDPFFLPEYJP-UHFFFAOYSA-N 437.504 0.005 30 20 ICED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C#N)c1=O 1184548292 QCHIWQSXTWBZNC-UHFFFAOYSA-N 444.300 0.763 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4c(cccc4S(N)(=O)=O)C3)CC2)o1 1197221598 RUYIYLDLZLIDQO-UHFFFAOYSA-N 444.517 0.209 30 20 ICED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1294877148 TXZCWNBHODVZBX-CQSZACIVSA-N 433.538 0.923 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1321993285 BHSGKQQFELHSRG-QGZVFWFLSA-N 430.534 0.482 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359143284 XJWXWZZUVHAGBA-WCQYABFASA-N 431.950 0.681 30 20 ICED CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1359467805 ZCIKKWDUNVZTSZ-ZACQAIPSSA-N 441.602 0.841 30 20 ICED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1475682217 IGGCYPMRXNDXNZ-LBPRGKRZSA-N 430.259 0.819 30 20 ICED C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1507792507 ZBHKFYSBVCTDOH-NSHDSACASA-N 446.331 0.997 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CCO1 1517534714 IIFJMHCVYWLUGX-VQIMIIECSA-N 439.520 0.489 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1546579584 NTBQJJVWYGQZMO-KRWDZBQOSA-N 445.549 0.859 30 20 ICED CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1613612400 MICCWKMBNYUQIL-FVQBIDKESA-N 425.559 0.490 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1710973367 WBSVMNGXGOIZQW-WMZOPIPTSA-N 439.524 0.407 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1731184918 LBIJJZYSRRBODO-SJLPKXTDSA-N 442.501 0.892 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)C1 1771529239 JTPMRIZYNSNMLI-YGRLFVJLSA-N 438.407 0.301 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779016879 RRGKTRLLQYVUIT-VMHRPQTGSA-N 432.550 0.870 30 20 ICED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c2c1CCC2 1779100585 BLBYCSNSRJMGOO-RORQMLAVSA-N 445.520 0.881 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=S)NCC)C2 1779340499 XANDQLCWKLHYFI-WHSLLNHNSA-N 440.610 0.557 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(O)cc(O)cc2O)C1 1781026805 LOCUGXOTBHCZCT-JPEVHGAISA-N 432.473 0.969 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C(F)(F)F)n1 1783562713 PCKPALDEOQUVMX-GOSISDBHSA-N 436.346 0.504 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1784482825 GOTDCLOJNJWCJP-MUGJNUQGSA-N 440.537 0.074 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1785578327 XDRYVTOOOGMMSP-HYFFOGBASA-N 435.521 0.769 30 20 ICED C=C[C@H](O)C(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 1788573772 KVMBXSGNWPNZKS-XUFBONQXSA-N 447.576 0.940 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccnnc1O 1789116641 AKXAVIGTGBRKJI-VZHLXOKHSA-N 433.465 0.305 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789197995 ULDGZELYCISDGU-OVWQWFNUSA-N 441.488 0.274 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)c1Cl 1789270239 INUITWONOJJRAK-NOLJZWGESA-N 429.864 0.681 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OCC)nn3)[C@H]2C1 1789397198 RMPCOURLEFPCIM-BQFCYCMXSA-N 446.504 0.978 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174013 KPJYIZNPPXSJMY-XSWJXKHESA-N 443.566 0.728 30 20 ICED O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1790588792 APAVQOHPUOGPSM-FHWLQOOXSA-N 436.468 0.592 30 20 ICED C=CCC(=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 1791279431 JAGCGDNHEGZQKR-VGWMRTNUSA-N 438.525 0.311 30 20 ICED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791326930 NYUQOWIOMHOJJU-UHFFFAOYSA-N 445.564 0.689 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)[C@H]3C2)C1 1791541441 GXGFNHNWYSTQNH-QLIIJSOBSA-N 429.521 0.403 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2 1792489159 KVCZMCQUELCMJD-VLTQWEFMSA-N 435.484 0.691 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793500794 NHPTZODERYSIRN-FQLMCAECSA-N 449.533 0.658 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)OC(C)(C)C 1793624839 OJLVRUHEPDSNGN-WCXIOVBPSA-N 437.537 0.918 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795978262 DNLYCJGATSUACS-JYYAWHABSA-N 448.524 0.786 30 20 ICED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)nc2ccccc21 1796998074 CFFLLISTHRZVFT-CCWDJLKJSA-N 446.467 0.650 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1797704919 VVMGBGOSRVVUJZ-JTJHWIPRSA-N 443.544 0.921 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1797741014 PVVDCCRLHYIFBR-FPPCFCSPSA-N 425.493 0.633 30 20 ICED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)ccn1 1798686143 PLGBURAMWIZUSB-HGKCTWBKSA-N 437.456 0.975 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1799396606 VVXMEPDCLPYYSB-MPTYRVRUSA-N 426.514 0.902 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128017 CJOFGXDADNPZSJ-WTLGNFPFSA-N 435.594 0.876 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)C2 1800455041 BTEVDFUPCCZPAT-DPIQGUFMSA-N 425.894 0.548 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C(F)(F)F 1800551628 CBQBFKLWQOONOP-OPDFLTKYSA-N 437.415 0.538 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)cc1C#N 1801850355 KFPUJVHLXYBJLU-DCXXXQMHSA-N 440.500 0.685 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCNC(=O)c2ccccc2)c1 1801951665 NWXXOCNJTTZPEX-RMFSNUHRSA-N 435.484 0.910 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC#C)NC(=O)OC(C)(C)C 1802125096 QGZMIXKWBBAHLQ-OYSTVDSJSA-N 447.532 0.531 30 20 ICED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358604 LXZOVSRMJUTTRW-OXQOHEQNSA-N 433.472 0.936 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2ON=C(c3ccccc3)O2)[C@@H]1c1cccnc1 1812880426 KEHZRGGAKBMGRK-XTQVGHSUSA-N 448.435 0.910 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813176046 PJHXVPUAUHXISM-YSSFQJQWSA-N 430.530 0.967 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1817316075 YANCYLPDTCJQPZ-ZFWWWQNUSA-N 432.529 0.276 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CN(CCO)CCO)sc3C2)cc1 1825327723 OQVCERQQQVVCKE-MRXNPFEDSA-N 443.529 0.527 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)nc1 1825565734 QAAUHQWEPUVYBY-GOSISDBHSA-N 447.513 0.806 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1830468615 PDXRSJYIBNQLKD-UGKGYDQZSA-N 429.904 0.676 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830586718 XKYALFYJZPBECL-RWWKDMOOSA-N 429.473 0.408 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830912014 PAGVJEGFWYRWNJ-AUTIWKQNSA-N 425.463 0.976 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831388782 XHUCOLOKQXYPPX-VGOFRKELSA-N 432.473 0.266 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1831418265 ALFSSWASWGVOEX-UGSOOPFHSA-N 425.511 0.241 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833521990 FHQJVHFMASNMEI-OAHLLOKOSA-N 436.553 0.579 30 20 ICED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1833908564 MQRVQYRNQDCJQC-HSZRJFAPSA-N 429.517 0.794 30 20 ICED Cc1ccn2ncc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)c2c1 1835037659 MQLOMMXQVIMXJV-UHFFFAOYSA-N 437.500 0.916 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835197242 UUJWISIXBZUPBW-HSZRJFAPSA-N 443.500 0.820 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835347774 FYRXSPJFFYEVJL-HSZRJFAPSA-N 441.484 0.776 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c(C#N)c1 1835529005 MYQIAFRVADCYOR-KSFYIVLOSA-N 430.505 0.161 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835668173 WGKRDGHFBMZIPY-OAQYLSRUSA-N 447.561 0.722 30 20 ICED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168651 IIMYMMAVLCEANP-UHFFFAOYSA-N 447.561 0.978 30 20 ICED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1)C(=O)O 1836258469 MIQQHIJIYFPCKN-HXUWFJFHSA-N 441.532 0.806 30 20 ICED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)C(C)(C)C#N)CC4)CC3)CC2)CC1 1836376834 KMALDNUAHPMZIE-UHFFFAOYSA-N 444.624 0.888 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837488970 WGVSEMLRYMYLAV-QHCPKHFHSA-N 443.500 0.556 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949719 TUYOKINKBQYJLU-XOBRGWDASA-N 449.464 0.046 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474917 WWIPEGRHERHGGC-FQEVSTJZSA-N 435.502 0.800 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnc4c2OCO4)CCO3)c1 1838478510 NCTJWVKWOLXKCG-NRFANRHFSA-N 439.428 0.394 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838597986 ISIZURGCMJAMCO-SPLOXXLWSA-N 448.907 0.806 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c(O)n1 1838671731 YDZRSQRRCXNGCA-NYNQOQISSA-N 442.472 0.878 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736315 XPNHHIQPIUICQY-OAQYLSRUSA-N 426.477 0.795 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC45CCCN4CCC5)CCO3)C2)c1 1839118066 QXXKHUYWPRKUSU-HSZRJFAPSA-N 441.532 0.975 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839222932 FSWHVNNFSJIINI-VGOFRKELSA-N 448.520 0.890 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c(Cl)c1 1839423683 QQYIAKTYXNTMQQ-HXUWFJFHSA-N 444.879 0.573 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839572368 TYKFKYNLZGMMRN-MWTRTKDXSA-N 441.484 0.290 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017912 LJNJNNKKIZDOLK-VSDWSMLSSA-N 425.485 0.929 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840161772 AFDZHVLGLSXNDR-JLTOFOAXSA-N 431.518 0.860 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840163719 NDGNXZDOUAUYJR-FOIQADDNSA-N 431.518 0.656 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840485868 VMTIRKRFYRIVQD-UMESLIDUSA-N 432.480 0.998 30 20 ICED CNC(=O)CC(=O)N1CCCC12CN(C(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C2 1841561897 CWMOWILRZXZSNX-UHFFFAOYSA-N 447.536 0.867 30 20 ICED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130379 QWZUBQRAGQIYPP-IFRROFPPSA-N 431.474 0.367 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1847806648 KJPLPVOUWJTWMG-DOWNOZBLSA-N 435.521 0.910 30 20 ICED CC(C)Cn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 30398328 ILVCRXJXBMUACI-UHFFFAOYSA-N 449.562 0.826 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 109064335 LORHVSJJJCVQCT-HNNXBMFYSA-N 432.454 0.497 30 20 ICED C[C@H](c1nc(-c2cccs2)no1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410121862 KVVFWOUAUZMDSO-KGLIPLIRSA-N 438.535 0.946 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 430371415 PQSDTQQHHSIUAB-OXJNMPFZSA-N 438.532 0.954 30 20 ICED N#CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 431208636 OTWZJRBXRAQZEX-CQSZACIVSA-N 426.520 0.967 30 20 ICED Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 433112775 ALANVDGKCLJZOU-UHFFFAOYSA-N 438.488 1.102 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(=O)c1ccc(O)cc1 436856808 UTQWCIOLCYCNNL-UHFFFAOYSA-N 426.429 0.774 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 441633744 LRHVHHUIHTUXAK-KRWDZBQOSA-N 425.420 0.355 30 20 ICED COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)C2 460721546 RRIRUDZGVVZLBS-MRXNPFEDSA-N 432.440 1.514 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(COC)cc2)c1=O 461377867 JMQMEVMFDYJXEI-QGZVFWFLSA-N 427.526 0.874 30 20 ICED CCc1c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 464650885 RUNHSYQEOYANEM-UHFFFAOYSA-N 430.428 0.899 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 465283869 HVFQXIGNHINSJM-CQSZACIVSA-N 433.538 0.525 30 20 ICED CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471060639 BQUPQRDQNMMTDG-UHFFFAOYSA-N 440.548 0.962 30 20 ICED CNC(=O)c1cc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc2[nH]1 472625243 XSTAHMMEJPKVJH-CYBMUJFWSA-N 446.471 0.865 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC1 476834315 PDIUHXLBARYPGQ-UHFFFAOYSA-N 441.301 0.651 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)c1 477030273 CLHCOAGZWRALFM-KRWDZBQOSA-N 436.538 0.273 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 478757291 OJSOLMQSVRLFNW-UHFFFAOYSA-N 429.546 0.895 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480953450 QXSSTZUHUGYIFC-UHFFFAOYSA-N 439.497 0.387 30 20 ICED COC(=O)CCN(C)S(=O)(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 486987520 GIOLBSNMTIMTHZ-UHFFFAOYSA-N 434.522 0.897 30 20 ICED COCCn1c(N)c(N(CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccc2)c(O)nc1=O 502209604 RAUJECFTQCYNCL-QFIPXVFZSA-N 440.504 0.993 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 508889175 QYXAORKCHUWZAF-CYBMUJFWSA-N 434.588 0.373 30 20 ICED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 512079277 OYBDBSUSFJUWDF-UHFFFAOYSA-N 430.377 0.060 30 20 ICED COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C 515906059 BJPOTPIQZOWPFH-UZSYQUHHSA-N 426.473 0.827 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)c(F)c3)c(=O)n2C)CC1 520063938 QXGSMWKNSRKFDB-UHFFFAOYSA-N 434.924 0.906 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)C1=O 523387522 UFESFOHZCOYRTJ-UHFFFAOYSA-N 430.417 0.225 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523860779 GVTKKZYSGNWAKU-UHFFFAOYSA-N 435.509 0.906 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2C)c1=O 526038199 FJMJICRPLTVPKD-UHFFFAOYSA-N 437.525 0.690 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCc1ccccn1 531655899 OBIABNRLKCZPMA-UHFFFAOYSA-N 426.523 0.867 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532108811 VNYNRBIROBVCNB-INIZCTEOSA-N 449.536 0.936 30 20 ICED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 532711511 OVNOYXFDOLDCNZ-ZYSHUDEJSA-N 438.525 0.548 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543920227 ZAFVOSRQNFFPGC-UHFFFAOYSA-N 436.469 0.656 30 20 ICED CCSc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 547962902 NJEIXVNGUHKYJU-CQSZACIVSA-N 443.550 0.616 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 551380523 YFEKXWZNBYDOPR-HXUWFJFHSA-N 427.549 0.214 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 553243133 IIRLJJGIYCKVIO-GOSISDBHSA-N 435.488 0.852 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(N)=O 555426738 WMYGHLZXIHUMLJ-UHFFFAOYSA-N 445.545 0.136 30 20 ICED N#CC1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 555800219 QYVDNCZOVAAEJD-UHFFFAOYSA-N 426.520 0.147 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 557278167 MOLCBGPKFRODIJ-UHFFFAOYSA-N 428.581 0.867 30 20 ICED Cn1cc(Br)cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1=O 582152541 BJGRBWKZVLGRTD-UHFFFAOYSA-N 425.264 0.936 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 586771547 MDVZNEMRRKSXOT-UHFFFAOYSA-N 439.501 0.893 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 603697356 HTOOQUIOTNDXRC-UHFFFAOYSA-N 439.476 0.552 30 20 ICED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 609486432 KJGJPUVMZJOEEQ-GOSISDBHSA-N 425.541 0.178 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2I)CC1 728531725 OCDFBWDBTBOYGO-UHFFFAOYSA-N 429.233 0.938 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 731754426 YCFWRUKZHRWEMT-HKWRFOASSA-N 445.567 0.949 30 20 ICED N#CC1(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 734041162 VNFMYEOJLFFHPZ-AWEZNQCLSA-N 448.501 0.573 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1F 734468012 NUKUPXYJKAKFRE-KRWDZBQOSA-N 440.541 0.426 30 20 ICED C[C@@H](CC(=O)NCC(=O)N(C)CCc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 742626456 PEKRAKUSOWUPNC-HNNXBMFYSA-N 443.529 0.716 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnc(CC)s2)c1=O 758084580 RWEDCBRGGOEXMR-UHFFFAOYSA-N 430.555 0.608 30 20 ICED C[C@H]1CC(=O)CC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 760568110 RAXZZUSDYPWOBN-YJBOKZPZSA-N 447.513 0.940 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 761033146 RZQUHSHVIHVVES-INIZCTEOSA-N 433.534 0.226 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCOCC1 767406103 RNHIMSUHNIFJQT-SFHVURJKSA-N 443.456 0.361 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 773042308 PEESWCBTLQYDIV-MRXNPFEDSA-N 437.518 0.964 30 20 ICED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 773293936 PGFKGGCBQBNQCD-UHFFFAOYSA-N 448.526 0.935 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 774995772 KAIBASDASSRRDV-SFHVURJKSA-N 441.488 0.907 30 20 ICED Cc1cc(Br)cc2c1C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 782251258 CIYMROQGJNSEEU-UHFFFAOYSA-N 441.307 0.784 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 785658555 DNRXGQRFOASDOA-HKUYNNGSSA-N 426.473 0.387 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3c2OCO3)c1=O 794582436 OPNDGAAIMFLDPW-HNNXBMFYSA-N 442.493 0.784 30 20 ICED C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC 798118951 KXSRXYOEHGSGEN-ALCCZGGFSA-N 443.500 0.803 30 20 ICED C#CCN=c1nc(N2CCO[C@H](COC(C)C)C2)[nH]c(N2CCO[C@H](COC(C)C)C2)n1 804622330 BDTKXDOLGMGPCJ-OALUTQOASA-N 448.568 0.599 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1C#N 807291549 YNUZKWCMDVNLMB-UHFFFAOYSA-N 433.516 0.941 30 20 ICED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 807305132 RVFQVEORULFBFR-MFKMUULPSA-N 436.412 0.854 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)CC1 807552161 PPMOXSWKUKFZRF-HNNXBMFYSA-N 436.513 0.127 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)N1CCNC(=O)C1 915467605 ZAMIZUAOAHNLOY-UHFFFAOYSA-N 440.250 0.600 30 20 ICED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916923496 QPBLOFUQGAWKKM-CYBMUJFWSA-N 438.444 0.570 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 917019781 FMNOHENZCWFIMA-OAHLLOKOSA-N 448.439 0.295 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 1230109738 OPDHXNTVWVARQP-HUUCEWRRSA-N 439.513 0.879 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1300830711 JOKYQAIGTQWLFB-SNVBAGLBSA-N 445.347 0.717 30 20 ICED COc1cc(C=Nn2cnc3c(cnn3C)c2=O)ccc1OCC(=O)N1CCOCC1 1317766900 VSEBGAZTLDBEND-UHFFFAOYSA-N 426.433 0.258 30 20 ICED CCN1CCN(CCc2noc(CS(=O)(=O)Cc3ccc(C#N)cc3)n2)C(=O)C1=O 1320222603 DETMFVURLNMGLQ-UHFFFAOYSA-N 431.474 0.289 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1321884927 ZRYCVWQUPGDFJV-WFXMLNOXSA-N 446.529 0.695 30 20 ICED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1517577353 TYMYAZBTMSCQDA-QGZVFWFLSA-N 439.520 0.884 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1519166996 ZZPSSOCTXVLDKN-CRAIPNDOSA-N 427.527 0.352 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1616263964 SMROURMAQZKWOR-LAUBAEHRSA-N 434.541 0.770 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1742713344 NGOAAQZCZCKNSW-APWZRJJASA-N 428.541 0.837 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1765672406 MEQQMJYOCFEYHX-MRXNPFEDSA-N 431.522 0.471 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1767627217 YPWQFGMRZFPJQD-FGZHOGPDSA-N 440.504 0.843 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1777832148 NSNNGYNMUBKSPC-OAQYLSRUSA-N 435.419 0.892 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777981834 GNRDHVWFSOOCMU-OAQYLSRUSA-N 425.493 0.455 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778138083 PSTFBYJPHWUKRM-SVQXRNPESA-N 435.521 0.504 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779101657 SDEQUOJQBOMTPN-GKSBZVEZSA-N 447.492 0.848 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779342895 AUAPMWYSSJODJY-ZHRRBRCNSA-N 432.521 0.942 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn2[nH]cnc(=O)c12 1780019881 PLZNBVXDRGVBQV-XMMPIXPASA-N 445.479 0.826 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781131679 VVAFZIFTIPBVBD-IYZQMXKPSA-N 430.549 0.693 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1781692167 DKFCVQOCQDUZLZ-HVETUWLQSA-N 435.521 0.817 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1781793407 KLIHDXPSSBXVEU-QFIPXVFZSA-N 434.456 0.399 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781853677 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XZPAMNWXFJFBCV-JYRCXFKTSA-N 435.531 0.558 30 20 ICED C=CCOC[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OC 435951368 WVWSDNYRPPDOTK-GFCCVEGCSA-N 428.492 0.756 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 437336086 ITTXVIULHMQQIV-ZDUSSCGKSA-N 436.881 0.615 30 20 ICED COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)c1 441584137 ZBRWFYMWEKEZLA-KRWDZBQOSA-N 440.460 1.016 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 462069376 CIPOPPBKDKMLBV-UOVPBQLFSA-N 431.456 1.376 30 20 ICED CN(CCNC(=O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1)Cc1ccccc1 462911307 IXXBMPGOUYOMTB-UHFFFAOYSA-N 438.532 0.420 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 470212898 CPZDHKZIPPISLE-CYBMUJFWSA-N 436.925 0.961 30 20 ICED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471625663 DABYWVONUVRLKV-OAQYLSRUSA-N 444.513 0.313 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)c1C#N 472188480 DXBKKUYVQMARHS-UHFFFAOYSA-N 437.547 0.656 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)CC2)c1C#N 472886647 FXDGCULMAICJFJ-UHFFFAOYSA-N 441.467 0.728 30 20 ICED N#C[C@@]1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCOC1 478643922 KHBVLMUBKDBKGJ-IBGZPJMESA-N 434.474 0.568 30 20 ICED C=CCOC[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 481769614 PWQGOFRBIOUOSD-GFCCVEGCSA-N 435.296 0.879 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 487128874 FESUYNAAULPQFH-GOSISDBHSA-N 427.486 0.806 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 487996722 BZWSUWLIFYKAPE-SFHVURJKSA-N 429.564 0.704 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)C2=O)cc1 488620047 IQAQCKUFQYYXLN-LJQANCHMSA-N 449.467 0.668 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 498531286 DIUKKNBPLSOEIF-UHFFFAOYSA-N 441.575 0.486 30 20 ICED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500886410 GHKRKEFMGVWTTA-VHSXEESVSA-N 439.266 0.832 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)C1=O 513498328 HDGUUJGMBYOQCA-CZUORRHYSA-N 430.436 0.971 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC(N)=O)c2)CC1 515119761 IPXPABBYRVFMND-UHFFFAOYSA-N 443.485 0.961 30 20 ICED CCN(C[C@H](C)C#N)C(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533494364 AORRZUUAWIYJLM-OAHLLOKOSA-N 428.493 0.386 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)c1=O 536639216 COVRIXHNUQFRFY-UHFFFAOYSA-N 432.444 0.125 30 20 ICED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538102128 HNLKRVISZKENGK-UHFFFAOYSA-N 432.481 0.366 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 539270796 OZWJWLLIEIBBGZ-MRXNPFEDSA-N 438.550 0.252 30 20 ICED CC(C)N(CCc1noc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1)S(C)(=O)=O 544189782 SNMXIPJNKLIUGZ-UHFFFAOYSA-N 441.535 0.974 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546777714 FGUWZQKBCGDGOQ-UHFFFAOYSA-N 445.497 0.323 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccn4)c3N)CC2)cc1 549088542 HETUWWQMTNPQQZ-UHFFFAOYSA-N 437.485 0.868 30 20 ICED CN(CC(=O)NC[C@H](N1CCOCC1)C(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 557143800 HXFDQGPYOMBGBT-HNNXBMFYSA-N 434.440 0.558 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)C(C)C)ccc1OC 569682749 HQDWUCSANQUYLC-UHFFFAOYSA-N 426.495 0.709 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 571868129 WEACXVYCHQLBDS-UHFFFAOYSA-N 432.612 0.675 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 573592600 NRNJCKLONQBFBH-YZGWKJHDSA-N 428.533 0.637 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 584188966 DRPMFJZODISPTG-RDJZCZTQSA-N 429.564 0.989 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2sccc2C)c1=O 603792745 KDIJVGUVPZKPOJ-UHFFFAOYSA-N 444.582 0.417 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 608948630 GSJSPEANUUGZEU-UHFFFAOYSA-N 429.502 0.391 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 609538036 KICJBPVEKPGISE-FHWLQOOXSA-N 426.583 0.347 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 616102372 QQXCWWGAFSTMOI-UHFFFAOYSA-N 442.465 0.104 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)n1 682876836 SBFJPEXOERJNHL-UHFFFAOYSA-N 440.506 0.555 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(CC(=O)N3CCCCC3)CC2)C1=O 726585370 RQHDVALXGSUBSY-UHFFFAOYSA-N 438.532 0.910 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 728158287 NEBAJVHRZPHPIW-BUXKBTBVSA-N 436.465 0.758 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(I)cc2)CC1 728573506 PPFRQJYINADSDE-UHFFFAOYSA-N 440.285 0.597 30 20 ICED N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729186560 KHXIJFHJIKJLNO-KBXCAEBGSA-N 425.445 0.963 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc(F)c(F)c1 729542158 WIRWIMIUUOPULU-LBPRGKRZSA-N 439.440 0.950 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCS(C)(=O)=O 729672730 FGRCAHMUSULDTN-UHFFFAOYSA-N 449.529 0.207 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)s1 729673369 LUYAZHZYYMJXRX-UHFFFAOYSA-N 439.584 0.352 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1Cl 730407637 NECCMKYTBDKWOY-RYUDHWBXSA-N 445.906 0.052 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732908579 OVAFXORYBDTNKO-HUUCEWRRSA-N 437.905 0.654 30 20 ICED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 733667191 SQCVEGWWSGMPJA-OQKWZONESA-N 449.533 0.519 30 20 ICED CCOc1cc2c(cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@H](C)C2 737306706 OKVCPWYHKCVRKH-ROHOOWMXSA-N 428.445 0.990 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742542972 BOWPMGSWILDQPO-ZDUSSCGKSA-N 442.563 0.434 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)c1 746814059 NGKPEYYOAFKMAF-CGUCZKFASA-N 449.533 0.552 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)c1 747957865 VCVOHFACFJCRBE-NXDJFEHLSA-N 443.460 0.635 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 752836199 VHZIOQGCZKAOKW-MRXNPFEDSA-N 430.490 0.722 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n(C)c2n(C)c1=O 756882215 FNUJOXWEGRYJPY-DGCLKSJQSA-N 430.465 0.065 30 20 ICED CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 761069415 DYSAUESBDVXPHW-GHOZOMOVSA-N 438.506 0.896 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c1 769847940 ZLORAQGPJFYKDD-KRWDZBQOSA-N 445.428 0.990 30 20 ICED N#C[C@H]1C(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)=CC(=O)n2c1nc1ccccc12 772746689 GEKPQBUHVAQCCJ-INIZCTEOSA-N 446.467 0.517 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)ccc1F 773649766 HXMWTUCNBRIJBV-HOCLYGCPSA-N 430.498 0.776 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 774264159 SZNMYGDVXVYFGP-GVBJFWFFSA-N 444.391 0.895 30 20 ICED COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782905247 LPKGTQLUTGQTGI-UHFFFAOYSA-N 431.493 0.898 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 783481945 SDZVLBDITBLKSF-SFHVURJKSA-N 431.514 0.946 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H](CO)O1 787906073 HQSQWPFFBPHASC-XTZAVPODSA-N 438.506 0.046 30 20 ICED COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)sc2c1 788764417 BKYWXHCHBSXTRT-UHFFFAOYSA-N 446.535 0.599 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 803576759 OZSDVDPVCHBHQY-UHFFFAOYSA-N 448.526 0.218 30 20 ICED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 810379032 NNXQLPHHOPEUKO-CRAIPNDOSA-N 434.460 0.926 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC)CC1 812099752 ZLAJQPJKHDZWCR-UHFFFAOYSA-N 445.545 0.961 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCc3cccc(Br)c3C2)c(=O)n(C)c1=O 814883453 OFMUGMCOXNLEBD-UHFFFAOYSA-N 441.307 0.670 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)n(CCC#N)n1 815799308 NRASRXVCFKAMQL-UHFFFAOYSA-N 432.481 0.892 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 918254826 BSNURLODZHUMBT-HAVVHWLPSA-N 432.506 0.841 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)NC2CC2)c1 918353044 HIEIVMFZTKRFLZ-UHFFFAOYSA-N 430.490 0.619 30 20 ICED CCS(=O)(=O)NCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 918563159 WNRYQNNKATWIJU-CQSZACIVSA-N 430.552 0.195 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 919315705 MRRKVZRGZOTRFB-UHFFFAOYSA-N 448.478 0.861 30 20 ICED C=CC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1320264317 BFLUSIVHGWIBBL-FZKQIMNGSA-N 425.463 0.536 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC1OCCO1 1455326050 ODEYZTQDWSBTEB-HIFRSBDPSA-N 425.507 0.380 30 20 ICED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1625964554 MFSSFDFEHJKVRO-LXZKKBNFSA-N 444.513 0.880 30 20 ICED COc1cccc([C@H]2[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC(=O)N2C2CC2)c1 1630030881 ZXPAVWDYWICBPL-MJGOQNOKSA-N 437.456 0.698 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722477618 VQZFXJQCNHVGIF-CQSZACIVSA-N 441.330 0.764 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1722486269 XCDMAVDNATXCAY-VXGBXAGGSA-N 432.344 0.756 30 20 ICED Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1729603879 OBOBVYHKYPXEFT-IBGZPJMESA-N 445.480 0.679 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1741703061 RLXWHTJEKYZKTQ-MRXNPFEDSA-N 439.476 0.894 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCS(C)(=O)=O)CC2)c1C#N 1742670135 XCRFTFBPQMLKDL-UHFFFAOYSA-N 432.554 0.830 30 20 ICED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1743364680 XAPZRRZSGHDESB-MRXNPFEDSA-N 430.534 0.772 30 20 ICED CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1747533300 VCIBHCUNIPHPIY-MRXNPFEDSA-N 425.493 0.909 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708695 NUJUDBXBRBPOME-FPTDNZKUSA-N 425.441 0.303 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779056352 FPNAEMQSXLBCCK-XGHYCODVSA-N 429.525 0.579 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779102437 YCXAUUDNUVSBLJ-ZLISCHMWSA-N 433.465 0.458 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1779309734 CRHYLGLNDZGBSO-UGKGYDQZSA-N 447.919 0.673 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)c1 1779953376 KGMFXWBDWLYRIG-HXUWFJFHSA-N 438.469 0.713 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298196 ADCNWVMYSCKWEG-IVZQSRNASA-N 430.480 0.937 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2)C1 1781396274 QAPFOYOIUASOPU-SIFCLUCFSA-N 442.513 0.460 30 20 ICED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc([N+](=O)[O-])c1OC 1782119702 KXZQUSVMWNABDQ-HXUWFJFHSA-N 447.400 0.144 30 20 ICED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783641067 APZXJDJDBOEJCY-ONGXBYRLSA-N 436.509 0.490 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783917506 QJYININAEPGTSN-WNHJNPCNSA-N 446.935 0.264 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1783924601 SXTKJPYHVVYPEM-YADHBBJMSA-N 429.473 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(C(=O)OC)cc3)C2)C1 1785717689 JDFFQFRVVQDLHN-HXOBKFHXSA-N 444.484 0.720 30 20 ICED C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1785743801 PQYVOSDIRWMBQS-XCGNWRKASA-N 449.504 0.550 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1786859116 LYNDDTLKJGGESU-HLXURNFRSA-N 431.581 0.588 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n(-c4cccc(=O)n4CC)n3)[C@H]2C1 1787154073 YPHJHHYHDAKZFW-LNLFQRSKSA-N 437.500 0.589 30 20 ICED CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661382 OSJUEPRKWRUDIT-KXFSNUTRSA-N 443.566 0.609 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)c1 1790748770 ATIPIQMMIKRPPG-VJANTYMQSA-N 431.514 0.729 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC 1793536309 QJPJYTUZCQOWBC-JONQDZQNSA-N 429.539 0.462 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793562636 UCLJRQIBPRPUEE-IECFSIQFSA-N 437.537 0.939 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793604033 WRAKYHRGKCKQMN-AJYBTWMASA-N 447.532 0.625 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)CCC1=O 1793789374 LUTQEBHOAAKECL-VPTLXERWSA-N 439.472 0.135 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c(C#N)c1 1794566609 YDYGWROXEUYNNQ-VPTLXERWSA-N 437.456 0.508 30 20 ICED 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C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1799301739 INNLTABAWMBIEL-VPTLXERWSA-N 432.473 0.870 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799332074 LVEJHKRPLDQFIA-UNMKOGDSSA-N 435.521 0.673 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1799397772 WZPXGBUOWLBLAG-ZJOBFFGXSA-N 432.456 0.873 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cc1O)C2 1800778474 BRUFRCAVFBHYOR-YQYWCBKUSA-N 437.246 0.446 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800836808 JVPLILAWRXVCNF-XEMDLRDOSA-N 430.567 0.565 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804187696 OPEVRVZFLOJQFF-KXBFYZLASA-N 435.444 0.153 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CCN3CCOCC3)C2)CC1 1809584472 UNIOBTCJLUWBLB-PLNGDYQASA-N 432.565 0.798 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817247658 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COc1cncc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831209014 GPOLZMKEBOSXTN-QHCPKHFHSA-N 427.501 0.893 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CC(c5ccccc5)=NO4)CCO3)C2)CC1 1831253765 CERUVGZKRYHJAV-WMZHIEFXSA-N 438.484 0.940 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccc3C)C2)C1 1831387331 OQARRSFZFAAAKY-CVDCTZTESA-N 429.517 0.817 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831409585 VOSWGUJGCRNPGA-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831425880 GLEUSDQUEOBIII-HRAATJIYSA-N 432.477 0.068 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831488550 XETYYTDRYZDZSC-XLIONFOSSA-N 439.534 0.420 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831492669 MSJIQUJQEWMQLE-CFFCXZSUSA-N 426.583 0.869 30 20 ICED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1832663371 AFRKHWOGMOPPPN-QHCPKHFHSA-N 444.484 0.617 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3nccn3C)CC2)CC1 1833075967 ITKUPFMJVXHWNB-PLNGDYQASA-N 428.537 0.464 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n(C)n1 1834158382 MCKJPPAJWDHXSV-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1)C(F)(F)F 1834736365 ODBRZQFUNNDHMA-HNNXBMFYSA-N 433.475 0.269 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C)CCO3)C2)c(O)n1 1834938548 YJXSAZBJCPAFNZ-QFIPXVFZSA-N 432.521 0.537 30 20 ICED Cc1nc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835677274 DTBKPOIUZPMJAD-NRFANRHFSA-N 433.509 0.643 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835767513 CDTPDLASSGJHIN-LKFYKTPHSA-N 449.552 0.366 30 20 ICED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)cc1O 1836167212 NQNPLBYSUYMXEJ-UHFFFAOYSA-N 425.493 0.824 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)c1 1836893425 SFIHFOCJENOSJW-OAQYLSRUSA-N 435.444 0.313 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1837200929 CQOFMYRTLCVRNS-IERDGZPVSA-N 441.525 0.500 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c[nH]1 1837528692 NFBOAVZOEXNSDC-OMJZWIOZSA-N 434.493 0.922 30 20 ICED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)CCCN1 1839123802 IFFGVWXSOOXIJJ-PKTZIBPZSA-N 442.516 0.536 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1839362879 VFTGJXAVYVKTOI-OAQYLSRUSA-N 425.445 0.565 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(-n5cncn5)c4)CCO3)C2)CC1 1839436196 HFYHRERMVZBSCO-JOCHJYFZSA-N 436.472 0.641 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)c1 1839651157 ORMCAJMYEPGGAX-OAQYLSRUSA-N 440.460 0.085 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1839897380 RLKDOQJNFXXCBT-NRFANRHFSA-N 427.457 0.581 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1840042975 ZSCVIIQSDGVGDP-AVRDEDQJSA-N 441.440 0.048 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840178492 KJVAXHCXSIZWMY-GOTSBHOMSA-N 444.484 0.110 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840369427 VCCIFMYOFCWHAI-NRFANRHFSA-N 435.477 0.491 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)CC1 1840929300 NJQLHSRIPAMVJK-PGRDOPGGSA-N 438.569 0.976 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(c3cc(OC)ncn3)CC2)C1 1841459459 RPKBWBIMOPUPAX-KRWDZBQOSA-N 441.532 0.943 30 20 ICED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090581 TWKKMRKFPDGAKI-AWEZNQCLSA-N 440.566 0.878 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 14281249 HJWFNAZWWWYPGR-UHFFFAOYSA-N 440.547 0.063 30 20 ICED CNC(=O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cn1C 31666239 QSHOYNZADZNFMY-UHFFFAOYSA-N 439.519 0.656 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1CCCC1 410391387 VQXLBGWKBGLOTQ-BFYDXBDKSA-N 448.615 0.397 30 20 ICED CC[C@@]1(CO)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 426455993 CHMVWZHUZJLMAR-OAQYLSRUSA-N 434.562 0.876 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CCO[C@@H](C#N)C2)c1C(=O)OC 436133008 RCNOXCTYXURQHY-JTQLQIEISA-N 439.446 0.200 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 439376633 FZRUPPGBCLFNHA-MRXNPFEDSA-N 433.476 1.332 30 20 ICED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1C#N 461202676 SGAUVGDIZYERJX-MRXNPFEDSA-N 432.550 0.153 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@@H](NC(=O)NC)C3)c2)C1 466465545 MTIWPKKBCAHONE-UONOGXRCSA-N 430.469 0.482 30 20 ICED C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 467476301 SKZRMQLZNMJCPL-FPCVCCKLSA-N 438.496 0.663 30 20 ICED N#C[C@@H]1N(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCC[C@]12CCCCO2 468632132 OCYUMPMPRWLWIC-QFBILLFUSA-N 434.474 0.696 30 20 ICED Cc1nn(C)c(N2CCN(CCN3CCN(c4c(C#N)c(C)nn4C)CC3)CC2)c1C#N 472152721 IASVSEVNQNGIKT-UHFFFAOYSA-N 436.568 0.458 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 472975599 DYJOVQOYWKMEPC-GOSISDBHSA-N 441.467 0.973 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(N)(=O)=O)cc([N+](=O)[O-])c3C)CC2)c1C#N 473001141 PGLVOTXEXFSFSA-UHFFFAOYSA-N 447.477 0.427 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 475563370 BMCYAVRMOUBONJ-OAHLLOKOSA-N 448.588 0.835 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 476416297 SANMHINRTRPZBQ-VQTJNVASSA-N 439.516 0.099 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C 480156682 YILFKOQBEWRQIB-UHFFFAOYSA-N 431.514 0.892 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 480414484 IVLDUJASTVGDRG-INIZCTEOSA-N 442.545 0.688 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CS(C)(=O)=O)nnc12 500503650 MMWORGBMQLWLHT-LBPRGKRZSA-N 435.531 0.872 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 512923053 PNIOPBWVQDYVBL-UHFFFAOYSA-N 427.486 0.953 30 20 ICED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1F 513587615 ZCSHMXNQPQNNMZ-UHFFFAOYSA-N 425.420 0.976 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3cccc(C#N)c3)c2)CC1 518592307 VUIJHALJDNOIKY-UHFFFAOYSA-N 441.513 0.749 30 20 ICED CC#CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 541931314 SEIJRAXMIXTIAH-OAHLLOKOSA-N 430.504 0.161 30 20 ICED CCOC(=O)C[C@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542261022 XEDMOERLAOQVKS-INIZCTEOSA-N 436.534 0.665 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 549613745 OEMZYEWWZLOGGU-CYBMUJFWSA-N 439.494 0.521 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)CN1CCN(C)CC1 556353750 CMOPARLAZQUWDB-PZJWPPBQSA-N 426.565 0.223 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)CC2)c1C#N 557335922 MWHSOXVZALZTAP-CALCHBBNSA-N 429.569 0.733 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCOC4)CC2)c(Cl)c1 589211039 HDCFXMGADVUSMI-UHFFFAOYSA-N 429.868 0.298 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(=O)N(C)C 604269834 FJNRXFJHIZIJQJ-UHFFFAOYSA-N 449.536 0.575 30 20 ICED CCn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 613104234 LFTLENZDDPTOHT-UHFFFAOYSA-N 432.444 0.547 30 20 ICED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619806368 LDLRPFOUHZUHPR-GFCCVEGCSA-N 434.526 0.972 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(C)c2)c1=O 729671897 RCWOAOHBXDRIGM-CQSZACIVSA-N 433.505 0.658 30 20 ICED CNC(=O)CNC(=S)NN=Cc1cc(I)c(OC)c(OC)c1 731929129 NNMBLOJSTZDTES-UHFFFAOYSA-N 436.275 0.852 30 20 ICED Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748827987 RWMIRKWHXOQPDY-UHFFFAOYSA-N 427.442 0.072 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 758052153 AJQJBWIWIURUDM-UHFFFAOYSA-N 431.489 0.900 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 763457453 AZBLTFQDHOZOIB-KRWDZBQOSA-N 444.557 0.331 30 20 ICED CCC(CSc1ccccc1[N+](=O)[O-])=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 766717839 WXZWJAZVHKFIRQ-UHFFFAOYSA-N 441.491 0.829 30 20 ICED C=CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 768487408 HQSQLKVATXCLOF-HOCLYGCPSA-N 431.555 0.854 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2cn(CCC#N)nc2-c2ccccc2)c(=O)n(C)c1=O 771897406 MCILDBWSVJOXSR-UHFFFAOYSA-N 441.473 0.174 30 20 ICED CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)C 772534042 KTZRXKZBASODSG-VBHMAFOESA-N 437.522 0.325 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc[nH]n1 772654742 CRCHSVYJLUZJEU-KRWDZBQOSA-N 438.444 0.482 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCN1CCCS1(=O)=O 773114953 BZYXJNXMZUJUQQ-HXUWFJFHSA-N 433.486 0.730 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)[C@@H]1CCCO1 773562882 UOGZMJWQTZRQON-HIFRSBDPSA-N 435.531 0.888 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)cc1 778810764 OVNHGTJIMSLMJJ-AAMGNDOASA-N 444.517 0.766 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)nc12 782940587 IJBRWPDMIHBTGA-RDJZCZTQSA-N 439.403 0.693 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)n1 790429478 QITBLUNSEUMDRP-UHFFFAOYSA-N 449.554 0.476 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 793203448 LMDCCIQAZAAMSA-UHFFFAOYSA-N 431.467 0.210 30 20 ICED CC(=O)N[C@](C)(C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797514744 HXCWHSVJUVNTCA-DJJJIMSYSA-N 435.502 0.936 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C(=O)C1 805824454 SBSSJWGWVDPNHG-HNNXBMFYSA-N 446.512 0.403 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249840 ZCTAYAGDKVQWSB-LBPRGKRZSA-N 439.488 0.436 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(CNC(N)=O)cc3)CC2)o1 914683437 DBUHPDLAVVZSCN-UHFFFAOYSA-N 426.433 0.529 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1cccc3ccccc13)c(=O)n2C 916917931 LNJDZNFNEYHMSX-OAHLLOKOSA-N 430.424 0.934 30 20 ICED CCOC(=O)N1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919315973 ODXKTRLHMLIPFA-UHFFFAOYSA-N 437.474 0.317 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 919942184 SJEWMXDVJMZARF-UHFFFAOYSA-N 438.510 0.565 30 20 ICED N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(Br)c1 1306932778 YMAQVHNVFLMZKJ-UHFFFAOYSA-N 440.279 0.919 30 20 ICED C=CCN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1321897462 CTPDIYHVTGFKAP-AWEZNQCLSA-N 425.532 0.783 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1503265593 XDCXVHBXQNPXGE-HNNXBMFYSA-N 425.559 0.782 30 20 ICED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1OC 1505115150 VCNANDAYRUEKIH-CALCHBBNSA-N 434.522 0.558 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1547780807 MLYCWJGORQZHHI-KRWDZBQOSA-N 441.521 0.512 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 1611711346 MSVSMGOANXSGEF-RWMBFGLXSA-N 432.597 0.466 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712685496 ITHIVYTZXPJDEU-SWLSCSKDSA-N 431.515 0.199 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(N3CCCC3)ccn2)C1 1778232011 PXJFUTXPQJMXQB-AUSIDOKSSA-N 440.500 0.897 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1778970050 DMWIIPQGRZFSNT-SBUREZEXSA-N 442.516 0.983 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1778972091 SQFBIMBTSHHCIU-VGSWGCGISA-N 431.489 0.869 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1778975261 FGVOTEMNBXXXOL-ORAYPTAESA-N 441.575 0.250 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1779019819 USQNCQOPCNUXAB-PIUNUONSSA-N 430.509 0.581 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1Cl 1779093746 ISOIOPAARAGRMS-TZIWHRDSSA-N 448.907 0.306 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)c1ccccc1 1779184174 PDFQEHLJTZYIAN-HYBUGGRVSA-N 437.544 0.853 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779239488 XQBRGHPVZYMAJB-IIBYNOLFSA-N 434.541 0.816 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3ccnn31)CCO2 1783048316 YTUBOWLKFGCIJA-HTAPYJJXSA-N 443.504 0.638 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783115010 DHIPJESLCCWXHE-VFNWGFHPSA-N 432.546 0.934 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783397607 DSJMLVJQRGIRRB-VFNWGFHPSA-N 425.526 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)OC(C)(C)C)C[C@@H]21 1783529136 FCHNCMBHVZTTOJ-RIGXYXMPSA-N 435.521 0.556 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)c1ccc(O)cc1 1784021744 KPOSVABLVFKQLA-HXOBKFHXSA-N 438.484 0.595 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1)N1CCN(C)CC1 1786563131 MZBPYNQVERALTE-SWUCNREESA-N 438.572 0.654 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1786858435 PEOPQDRXAZUOIV-ULQDDVLXSA-N 435.525 0.090 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)n1ccccc1=O 1786859049 FHWTYRRGESNIEU-VJANTYMQSA-N 443.548 0.671 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788575463 JWEFKEWQHKBRDD-YHUYYLMFSA-N 434.493 0.114 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1791329611 BQBCIAMXFINYKD-VCAMNPENSA-N 436.509 0.252 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](OC)c1ccccc1)C2 1792485518 LYBLMNJACRYZHS-IPVZBFIUSA-N 427.501 0.822 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C#N)cc2)CC1 1792638787 DOKBUXNGFPVKQJ-KOUNCHBCSA-N 437.544 0.903 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1793356892 CYTYLBOXFMFVIF-VWPFQQQWSA-N 434.449 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1793360861 AHWZWWZWTZCWJY-KBMWQNTOSA-N 428.533 0.564 30 20 ICED C=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)CC)C2 1793592458 IVEHOHOIBDIWQR-ZHCJQAHYSA-N 425.526 0.816 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccc(Cl)cc2)C3)CCC1=O 1793784326 KYOHFSURRMDUDJ-VPTLXERWSA-N 442.903 0.889 30 20 ICED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795726760 FYTMHPFFKZGPHG-JLVBRIDZSA-N 426.477 0.389 30 20 ICED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1797969488 SHQKSHVHHNZUOH-HIRMHNASSA-N 448.907 0.566 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1Cl 1798590053 CPWBPEQJRZJRQX-BAAGSCJXSA-N 448.907 0.065 30 20 ICED 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]nc1C 1798662187 MJCHAMHJYXCZLD-CYGHRXIMSA-N 445.520 0.838 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C(C)(C)C)nn1 1798705118 WVKVOFYOXFNECN-SCAQPMJSSA-N 431.541 0.518 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])c(O)cc1C 1799829029 NQQNKVJRFYJHJH-BKEDOTJMSA-N 431.445 0.850 30 20 ICED C#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(=O)O)C2 1802127044 PLYLLXUADSZYRS-FVSMHNDTSA-N 449.504 0.524 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1803549270 WHGYHSXQYIQRBV-KAGYGMCKSA-N 427.549 0.373 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc(O)n3c2CCCC3)[C@H]1c1cccnc1 1810592729 BTEZWQDJICWQDO-MGPUTAFESA-N 437.456 0.728 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)S)CC2 1819861734 HRRKDHGCTATHDO-DYLAAIIWSA-N 429.520 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1820896356 ZPSKIKJZWCSFAB-OXJNMPFZSA-N 449.508 0.562 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCOCC=C)C2)C1 1829762445 KOPBGROVIPLRGG-RHVSLNNASA-N 435.521 0.284 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1829773774 UZFHHAYALRWJBG-MMENNXSTSA-N 435.521 0.118 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831183784 UDPMTDHEACTREE-FDDCHVKYSA-N 427.501 0.409 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(OC)cccc3OC)C2)C1 1831397644 URZYMZYIVBXNTL-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1831413147 NXOYXGBGCNGTNQ-OAQYLSRUSA-N 438.521 0.769 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1831487803 SAMZGHWHUGETHJ-PXNSSMCTSA-N 433.534 0.982 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1832289340 HEQUTBVNSBWVIT-HSZRJFAPSA-N 427.501 0.363 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1832295612 OGTBYNSFWIEEIK-HSZRJFAPSA-N 449.548 0.010 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833386131 MRBMKPXBKKSMPE-HXUWFJFHSA-N 436.534 0.376 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169450 RXMRTFUMYVIFKU-INIZCTEOSA-N 438.536 0.999 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836845321 WPAQQBQYNGLTSX-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cccn1 1837493535 JJXHGWCYUDEFOK-AUSIDOKSSA-N 444.532 0.599 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837557989 YDPNWZQMSBQVOI-IOUFHMPJSA-N 447.488 0.962 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CCO2)C1 1838589185 MKFZVTPTDTYQOE-DGCWBMGLSA-N 449.529 0.794 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)cc1 1839361015 LRWXBKPALRMGHX-CVDCTZTESA-N 440.500 0.349 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839473961 CXUYCBWENKMTQP-JOCHJYFZSA-N 429.473 0.834 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839539670 UXVSIAKCCSEEES-WMZHIEFXSA-N 442.516 0.977 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839692206 INZYBDLTOIQHBC-XMMPIXPASA-N 438.528 0.253 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840163689 MEBVXNFJGDBTEC-ZUOKHONESA-N 432.502 0.724 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840180819 XUXDYBDCXGLEIL-YHYVQYDKSA-N 438.521 0.827 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840194832 HEUUPDINSVREOO-PXNSSMCTSA-N 430.567 0.540 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)c1 1840383949 JXDRJGHISJOCTP-NRFANRHFSA-N 426.477 0.633 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cn1 1840466232 UBPCNSNFTOFJSD-QFIPXVFZSA-N 441.463 0.744 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)CCC1 1840815590 ZWZSJSIUPQLCGF-OAQYLSRUSA-N 429.477 0.265 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1840856892 DAKBWDPPKNGEJT-NZQKXSOJSA-N 447.507 0.905 30 20 ICED CCN(C(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CCS(=O)(=O)C1 18588009 YRYXONREANISEE-CABCVRRESA-N 437.518 0.763 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C1 409545596 ZIFLOMQTHTTZKR-ZACQAIPSSA-N 448.615 0.445 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 430556965 LVDKMADHGANGAA-JTJHWIPRSA-N 434.581 0.923 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CC1 431374917 IKTBLSZCZAWOJZ-UHFFFAOYSA-N 440.504 0.992 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 431493549 IUIHYRDIUZTCAP-UHFFFAOYSA-N 438.506 0.406 30 20 ICED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 436221121 QVUWYJPNNCOMFB-CYBMUJFWSA-N 443.529 0.729 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 439353128 GLTLVIZKUUYLIL-UHFFFAOYSA-N 433.421 0.299 30 20 ICED Cc1ccc(-c2nc(Cn3nc4ccccn4c3=O)no2)cc1S(=O)(=O)NCC#N 445659648 XGBYQJHFJUBIMG-UHFFFAOYSA-N 425.430 0.705 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1=O 466517751 KERQWCKHPMBZAH-OAHLLOKOSA-N 427.548 0.557 30 20 ICED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(CCS(N)(=O)=O)CC3)c2C#N)C1 471043452 LCLDBXFQMCYMFC-CQSZACIVSA-N 439.607 0.979 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)c1C#N 471711077 FZBPEASKKNQQNK-UHFFFAOYSA-N 430.270 0.763 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 475559779 QIVGZUIQAGCNCI-IAGOWNOFSA-N 448.611 0.762 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C3CC3)c2=O)n1 479377971 OBOFYOIASRAZCI-HNNXBMFYSA-N 426.498 0.447 30 20 ICED COc1cccc(C(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480456312 YNCUEJFHPMLWGT-AWEZNQCLSA-N 430.486 0.780 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480946925 CECQLHZRIPQWPJ-ZDUSSCGKSA-N 442.472 0.739 30 20 ICED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2=O)c1 505073345 FMASMPSYCDRPJA-KRWDZBQOSA-N 440.460 0.983 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 510237073 OCVAVWQGOYJFKK-YYIAUSFCSA-N 448.615 0.682 30 20 ICED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 514965185 HUNQQZGEBAOFTH-IBGZPJMESA-N 441.532 0.345 30 20 ICED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 517197401 KCOWQFRWJAXNKR-SFHVURJKSA-N 438.488 0.791 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1F 520985685 VMMARQSSMYHTBQ-UHFFFAOYSA-N 441.488 0.346 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1 522029517 SNGIQOXEBMQGOK-CQSZACIVSA-N 438.410 0.271 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 524426785 QSXUIDXZGDBJKZ-UHFFFAOYSA-N 437.403 0.294 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 537739127 INOUEICZRHDFAK-UHFFFAOYSA-N 426.454 0.794 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCN1CCN(c2ncccn2)CC1 540967866 JTGHAQVHEZVXCM-UHFFFAOYSA-N 426.529 0.440 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCc1ccccn1 542941750 CTXRTUDMXBCPKD-UHFFFAOYSA-N 441.494 0.766 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=O 551065358 DCYJJPIHQPTUQT-OAHLLOKOSA-N 439.428 0.296 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](c3ccccc3)c3nccn3C)CC2)c1C#N 559529249 WUPUQNZQEWACFW-LJQANCHMSA-N 446.515 0.888 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)nc1 587647713 LEKLBZWKZOWLEU-KRWDZBQOSA-N 437.479 0.967 30 20 ICED CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](C)CS(=O)(=O)CC 588871337 WYBWSTIZILLNFH-CRAIPNDOSA-N 448.545 0.447 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)s1 609416909 YZXIHEIUFBMHKO-UHFFFAOYSA-N 430.555 0.404 30 20 ICED COc1nn(C)c2nc(C)c(CCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(C)c12 732910982 WOJWJUVOGNUFAR-HNNXBMFYSA-N 447.517 0.492 30 20 ICED Cc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nc2c1c(=O)n(C)c(=O)n2C 739140857 VYAWZPMCCXYYIW-UHFFFAOYSA-N 427.442 0.072 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742143592 JICUXZCIAOLKPW-UHFFFAOYSA-N 426.498 0.464 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742481680 ZEMQTZSJMRCMQE-ZBFHGGJFSA-N 434.518 0.354 30 20 ICED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746568975 GPVJOZCNWOUNNP-UHFFFAOYSA-N 431.470 0.956 30 20 ICED Cc1cc(N2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc(C)n1 749516021 ZGUQWMNQIAHBSK-UHFFFAOYSA-N 428.518 0.917 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1 753690424 QWKIWGFGHYLEJQ-UHFFFAOYSA-N 434.474 0.803 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)n(CCOC)c1=O 753788342 LNQXVJHJTGGBNA-YJBOKZPZSA-N 443.573 0.971 30 20 ICED CNCCCc1[nH]nc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C#N 760310416 UAHVZPFJUKVURH-LBPRGKRZSA-N 429.506 0.889 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 761036058 ASQBMNJLBQHNJH-OAHLLOKOSA-N 435.575 0.728 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCOC 763298720 DSRGBIFVXYMOLG-UHFFFAOYSA-N 437.543 0.282 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(NC(=O)OC(C)(C)C)nc2)c(=O)n(C)c1=O 771890899 IUVDEJKZSYJXMI-UHFFFAOYSA-N 438.466 0.138 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)c(Br)c1 771897210 CKPJMAWZNRQSLP-UHFFFAOYSA-N 433.259 0.688 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cc[nH]n1 772125508 VDCWSGKRLBLMOT-UHFFFAOYSA-N 437.478 0.260 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3cccnc3)c2=O)cn1 772311569 FBFDTLYTMATBMT-UHFFFAOYSA-N 434.525 0.872 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCS(C)(=O)=O)c2=O)cn1 772316747 SXPLEOKZGMLPNI-CYBMUJFWSA-N 434.543 0.370 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774923572 QUBLLRAFDBIYQW-UHFFFAOYSA-N 443.485 0.904 30 20 ICED N#Cc1ccc(N2CC[C@H](OC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 787003360 WUFLJPPFICFFFD-PMACEKPBSA-N 440.500 0.920 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 787314883 RZDARUCDEDCSIB-XUXIUFHCSA-N 425.486 0.501 30 20 ICED CC(C)C(CS(=O)(=O)N(C)C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 794878863 FZCPXSXKCJPRKI-UHFFFAOYSA-N 446.599 0.333 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)NCC2(CC#N)CC2)cc1)S(C)(=O)=O 797510233 IEBSWJRLBFNONO-UHFFFAOYSA-N 444.535 0.784 30 20 ICED C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807450057 DRKMWCLUGMKQEB-GOSISDBHSA-N 435.532 0.808 30 20 ICED COc1ccc(NC(=O)NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821739611 KWANNRXYAZSZIP-UHFFFAOYSA-N 446.441 0.625 30 20 ICED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918421806 WOYSDCMRZZGBHC-LTGZKZEYSA-N 437.522 0.375 30 20 ICED N#Cc1nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)[nH]c1C#N 918781565 FVRVDPMFMCWILL-LLVKDONJSA-N 426.414 0.729 30 20 ICED COCc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 918816795 AEXLUDWDRFTFEU-UHFFFAOYSA-N 431.470 0.843 30 20 ICED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1288987260 WMLOYSCEICNUOE-DYVFJYSZSA-N 425.532 0.508 30 20 ICED CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1313927385 KIGSDBYLVXGEAZ-ROUUACIJSA-N 430.557 0.155 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1313988860 UMNSAZULTASSNI-IBGZPJMESA-N 439.520 0.490 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1314142526 VRRWUJBTQGTFOG-RDTXWAMCSA-N 425.511 0.236 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)COc2ccccc21 1323978559 XKNZJBRLCCOYST-CQSZACIVSA-N 428.470 0.767 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3NS(=O)(=O)c4ccccc43)cc2)CC1 1340912866 TUXLCFAVIJZHTB-UHFFFAOYSA-N 435.531 0.688 30 20 ICED N#CCc1ccc(OC[C@@H](O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1347090022 GAEVFVLRLSGCTE-FQEVSTJZSA-N 428.533 0.928 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475885 HWBCDVATSKHKOA-SUMWQHHRSA-N 435.531 0.391 30 20 ICED CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1517014742 KJWXCQOYENCAOL-UWJYYQICSA-N 432.548 0.945 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1611686881 NTGFIEWBRZKLFX-IYOUNJFTSA-N 425.534 0.815 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1611694556 PHEFKPBNGBHHGA-CZUORRHYSA-N 444.583 0.596 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1619910177 YRIBWNPDNWVQIK-UHFFFAOYSA-N 429.481 0.833 30 20 ICED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486062 VBPKGWPRRFPRCK-KXBFYZLASA-N 448.545 0.447 30 20 ICED CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)CC1 1778754863 PVHFQZLOMOCVIG-VQIMIIECSA-N 426.539 0.086 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020138 YZSYFKQPRBHGTJ-HGXRTVBQSA-N 435.525 0.817 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779107472 VKHACSRENYOQTG-BKTXIKQCSA-N 438.510 0.256 30 20 ICED Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C/N=C/c3ccco3)C2)n1 1779442817 KGCXASWUHFEXHD-KFPCXCPGSA-N 443.508 0.546 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nn[nH]c2C(F)(F)F)C1 1780193468 AEZPHCFDFQLUMX-SNUQEOBHSA-N 443.426 0.989 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(=O)c1ccccc1)C2 1782017438 KYWCDUKSCHLJIE-WZONZLPQSA-N 441.484 0.408 30 20 ICED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1ccnn1 1782763772 BXVDZGJXYQLPJZ-BTYIYWSLSA-N 426.452 0.922 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C[C@@H]21 1784486800 PXHDXZBUZDMJJG-ZZEDZQHJSA-N 441.528 0.823 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377592 LBZRWWZOLFPBRO-PGRDOPGGSA-N 428.489 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CN)c3ccccc3)[C@H]2C1 1786919765 KJVUYOCDSYPNJI-VDYRWSSGSA-N 440.544 0.567 30 20 ICED COC[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 1787471752 ODOARVJOCVLUFJ-QXKUPLGCSA-N 445.582 0.824 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)OC)C[C@@H]21 1788570508 XBIRVIISNBAJMF-YHUYYLMFSA-N 428.551 0.445 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnc4nc3O)[C@H]2C1 1790363269 OAKOQESXBKTYKJ-CBVHJVASSA-N 438.484 0.967 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)n1 1792141385 YZRYUDYOYXTIEP-BZSNNMDCSA-N 441.532 0.960 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1cccc(Cl)c1)C2 1792485957 YTTDJDXQPUPSCW-UFIVBPFWSA-N 446.935 0.788 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559203 QLCYXNOGYYRMSC-WOSNLTMFSA-N 429.473 0.306 30 20 ICED C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)n[nH]c21 1795598138 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0.918 30 20 ICED N#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195272 VQZRIQLRLGOSKJ-PXNSSMCTSA-N 433.534 0.122 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1811889306 CUFIETUYUYCERU-NQIIRXRSSA-N 446.467 0.825 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)/C=C(\C)NC(C)=O)[C@@H]1c1cccnc1 1812315663 HXVLVVLWCJZMFC-BULGPZRESA-N 439.516 0.986 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813177901 UDMWQUHJIZRPPD-QLVMHMETSA-N 441.488 0.813 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817358256 NRQFVUBREPTYNY-VWYSKLEESA-N 449.512 0.524 30 20 ICED Nc1n[nH]c(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)n1 1819777306 YHEZLCBYILPHQA-KIHMUJGBSA-N 445.553 0.860 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1831392415 DJUZDJOMLFOMDO-CWTAYUNBSA-N 427.501 0.777 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831406174 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837396679 KLGQDKRZEMKJSX-CVDCTZTESA-N 442.516 0.977 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n(C)n1 1837561550 SWNLYGQFGRRDON-IQTGRTGDSA-N 445.476 0.211 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837564473 QRTVONYUQJSXAY-YUTJSNEMSA-N 447.879 0.912 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565271 QCVIXSCJPJDORH-LLEXLLOWSA-N 439.534 0.269 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363798 UXJPYGFOAPDBIV-AOMKIAJQSA-N 428.489 0.347 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1839364144 OOMHCBFUHDSZBU-XXBNENTESA-N 440.500 0.349 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518731 BSKDPWWSXLDLCL-QFIPXVFZSA-N 430.505 0.929 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839537831 FPELPAYMKXLMRF-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839840093 WPXKJQMLKUVRIO-JTSKRJEESA-N 432.521 0.803 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1839898262 PVIXLFVZDSXBPR-QFIPXVFZSA-N 441.484 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1840041045 MIQKJRBGRPEWEF-JOCHJYFZSA-N 443.456 0.028 30 20 ICED Cc1onc(-c2ccncn2)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840162027 JLZINXNMJJCQJZ-XOBRGWDASA-N 447.517 0.828 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840167696 GXTODDFIDMVCFD-NRFANRHFSA-N 427.461 0.308 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875365 LSWXWZIDKPQNHM-JGGNRJSWSA-N 439.509 0.398 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CCO2 1840916956 PWKWBNNWRPMREP-OVCNXMPXSA-N 447.532 0.864 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@](C)(O)CN2C(=O)OC(C)(C)C)C1 1846229660 PIUZJTHXGITAGM-PNLZDCPESA-N 449.548 0.989 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)C1CC1 19100808 BARZARWKWYGRGL-SFHVURJKSA-N 434.547 0.806 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1=O 26089692 CKSRBSWTUMMBSE-UHFFFAOYSA-N 447.879 0.260 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 409537572 NOQQGHNYFYSBGJ-UHFFFAOYSA-N 449.555 0.095 30 20 ICED Cn1ccnc(N2CCC[C@H](NC(=O)N3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)C2)c1=O 440347644 WOFABZHGCIALCF-KXNSMUHISA-N 447.499 0.804 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 440881402 BCHKQOYLGAYLKB-UHFFFAOYSA-N 425.532 0.546 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 442249686 LCRRCUCXOKLFBJ-UHFFFAOYSA-N 428.470 0.996 30 20 ICED C=CCc1ccc(OC[C@@H](O)Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)c(OC)c1 447167006 GRPWBLNUYWQOCK-AWEZNQCLSA-N 448.501 0.711 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 467607412 JSPWQKGBTCXZNT-IHJYVVLGSA-N 435.531 0.291 30 20 ICED C=C(C)COCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 474718680 GQSUHOCNCXESQY-OAHLLOKOSA-N 431.536 0.866 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NCCCN3C(=O)CNC3=O)c(C#N)c2N)cc1 477953192 CTMNLAOXILBKIP-UHFFFAOYSA-N 438.492 0.808 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480151748 ICEIKXIVPIRCPB-UHFFFAOYSA-N 442.497 0.980 30 20 ICED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c1 480936465 NRJJOIBEZQGZCA-UHFFFAOYSA-N 436.493 0.874 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 484892086 DDAYVGMAZQOGJI-ZDUSSCGKSA-N 439.490 0.954 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 488343730 HLJYXSCSNMBIPP-UHFFFAOYSA-N 431.514 0.521 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1=O 501441161 UWUYKWNXVDVVIY-GJYPPUQNSA-N 440.500 0.267 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCc3c(C)nn(C)c3C)CC2)c1C#N 507095978 YLTJAKKOGQWLQO-UHFFFAOYSA-N 426.525 0.348 30 20 ICED COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 508129917 XLTWLZLGRKIWDI-KRWDZBQOSA-N 431.536 0.613 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)n1 508319402 PRWJJRPWKLWHNB-UHFFFAOYSA-N 435.416 0.608 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cc1 511286650 GAGYUKHTVOJCAM-UHFFFAOYSA-N 428.489 0.757 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H](OCCO)C2)CC1 548733545 ZYSZMIVCMYRAPL-INIZCTEOSA-N 429.477 0.928 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 557635925 GANIXNOGKHPNKC-FQEVSTJZSA-N 441.576 0.767 30 20 ICED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 564047156 KOVZCHJMQXFSAG-UHFFFAOYSA-N 445.476 0.893 30 20 ICED N#CCNC(=O)CNC(=O)c1ccc(-c2ccc(C(=O)NCC(=O)NCC#N)cc2)cc1 567459407 UVVQELLKFXISIQ-UHFFFAOYSA-N 432.440 0.093 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 567643167 KZZVCOFAIOEXTO-INIZCTEOSA-N 440.504 0.403 30 20 ICED C=CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 573254918 CXAUDTFOVKDMGV-CRAIPNDOSA-N 446.529 0.738 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)cc2)ccn1 577029104 HZEYJTSAKBMQMK-UHFFFAOYSA-N 429.458 0.964 30 20 ICED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 583230393 WPOAUBPLNNBHGX-QFBILLFUSA-N 441.532 0.473 30 20 ICED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCSC1 585723000 IJVXJCNWPJWHCX-FQEVSTJZSA-N 432.550 0.626 30 20 ICED COc1ccc(N2CCN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc1 600877926 MNORNVPQBCTLHQ-UHFFFAOYSA-N 435.488 0.354 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@H]2CCCCO2)c1 619861609 TXMWMXUMALJACP-ZWKOTPCHSA-N 435.488 0.533 30 20 ICED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 726106591 QNCOAAPGQRMCTC-IAORGOLBSA-N 436.559 0.780 30 20 ICED CCS(=O)(=O)NCCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 726771383 OTTQIPFTVPSEPM-HNNXBMFYSA-N 444.579 0.585 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 728531072 AIKQDPCMICKIAC-FQEVSTJZSA-N 440.544 0.588 30 20 ICED N#Cc1ccc(-n2nccc2NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 733114947 VXABZRWFOGGDLZ-OAHLLOKOSA-N 426.458 0.848 30 20 ICED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 733806252 XWKATFKTSQVNLE-SFHVURJKSA-N 443.504 0.580 30 20 ICED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 741734386 QSMMAQOUUGGVIA-UHFFFAOYSA-N 448.526 0.613 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 747920735 DGTQJTBVYPSJAK-MRXNPFEDSA-N 449.577 0.692 30 20 ICED C#CCN1CCN(C(=O)CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 754302337 KKUPVJLOEPEMTR-ROUUACIJSA-N 434.562 0.674 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(OCC)n2)c1=O 758085600 YXFFIIATUUIRNY-UHFFFAOYSA-N 440.525 0.383 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccn(C)c2)c1=O 763459970 DDJPPKAUINYBQB-UHFFFAOYSA-N 427.574 0.618 30 20 ICED CCOC(=O)CON=C(C(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cc[nH]n1 770818083 AOIAJZSMZFFLFE-GFCCVEGCSA-N 437.478 0.561 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 772929777 FNNBIKYAKBROBG-XZOAIXRZSA-N 445.925 0.965 30 20 ICED C=CCOc1cccnc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 775114353 VRITXKCEFIUWGN-HZPDHXFCSA-N 438.502 0.998 30 20 ICED C#CCCN1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 776592906 CIFJMHCSWNPPSI-JXAWBTAJSA-N 427.530 0.875 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 777287778 OFBKKVFHMTXTOQ-ULJHMMPZSA-N 449.533 0.637 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 777295669 HRMIRJQTYPBTPX-OAHLLOKOSA-N 445.476 0.677 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 780813833 LRWHFBGMXIJSRF-INIZCTEOSA-N 429.477 0.811 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)c1cc[nH]n1 781042692 NWBKNGLVVJQTOB-OAHLLOKOSA-N 432.506 0.409 30 20 ICED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCc2ccc(C#N)cn2)c1OC 781058113 OQICFJKPICLZPH-UHFFFAOYSA-N 446.485 0.921 30 20 ICED CCOC(=O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 783932296 YRIYLHYGXJYHQC-LTGZKZEYSA-N 438.506 0.850 30 20 ICED CN1C[C@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C[C@H]2C1 787598195 KNGYBAPYUNWZSK-WCGUBKJWSA-N 433.534 0.458 30 20 ICED C=CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccncc1 805812395 VOUDJLZSOVNCFW-KRWDZBQOSA-N 446.533 0.390 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 810044584 GIGSQZYTFVHPMD-HNNXBMFYSA-N 437.522 0.995 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 811089343 KPZGXXUSDGXTFQ-IAGOWNOFSA-N 435.462 0.413 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 813663610 WMGBXMWSAIKRPQ-UHFFFAOYSA-N 427.910 0.572 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 815861168 UORDFEGIRVLNRR-UHFFFAOYSA-N 438.550 0.782 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 838246549 PWDOVXHVKJIJRJ-GFCCVEGCSA-N 437.468 0.489 30 20 ICED C=CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 911613389 PQVDNWPHMILTHF-UHFFFAOYSA-N 442.497 0.975 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 918816981 FECRXDUAMNBLBO-UHFFFAOYSA-N 437.474 0.182 30 20 ICED C=C(Br)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 921131416 LSLUAHZIZISMFH-UHFFFAOYSA-N 439.310 0.712 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 921132819 IRYBHQWIWSKAAR-UHFFFAOYSA-N 440.528 0.743 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1296329464 IYWIBXPOYBVXSV-INIZCTEOSA-N 431.522 0.423 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCCC(=O)NC 1300830975 PBAZJADWLHSPDS-LLVKDONJSA-N 437.364 0.759 30 20 ICED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1315043683 RJRDZGWPUJWZPR-LJQANCHMSA-N 449.512 0.773 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CC(=O)NC(C)C)CC2)c1C#N 1543001982 JKVVCPLXHICJQX-UHFFFAOYSA-N 425.541 0.995 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1619567937 QNXKNIYSJVRMEN-HUUCEWRRSA-N 428.559 0.879 30 20 ICED COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(C)(=O)=O 1649682651 KNIIXBBAIXAKNC-GOSISDBHSA-N 438.485 0.857 30 20 ICED CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1 1654957453 OVAJXGGVYPZLNV-AWEZNQCLSA-N 431.518 0.970 30 20 ICED CCc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1708986617 OFEMSWVGLRSLHU-TZMCWYRMSA-N 439.567 0.879 30 20 ICED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n(C)n1 1725851280 ZARMRVDCMLBYAA-RHSMWYFYSA-N 447.569 0.155 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1727231678 NZHJKHORFHOUSM-MSOLQXFVSA-N 433.557 0.772 30 20 ICED CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1728639057 WELWXXIJUMIPLD-NRFANRHFSA-N 432.548 0.870 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779064377 ITSIDEOVBBETGW-QFIPXVFZSA-N 429.473 0.635 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1779067118 NVTHYCJNCLINAL-JOCHJYFZSA-N 444.488 0.090 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1779104777 OGSOGXVCNMEVGG-BAVOWHKFSA-N 437.522 0.748 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779180222 NAIZTNTXMRNDBV-HJPURHCSSA-N 448.483 0.610 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779240710 FNDURYAZPLLVEG-QVKFZJNVSA-N 448.524 0.343 30 20 ICED COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc(Cl)n1 1779882131 CVHMAHVZHAGRSZ-JLTOFOAXSA-N 435.864 0.959 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1781270571 PLJACLZSEKFDEX-JOCHJYFZSA-N 446.504 0.878 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(O)n1 1783155136 AVRHVONBMCUFSW-QRQCRPRQSA-N 428.489 0.485 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1784446531 VUHZNFAHSVMYOI-WOYTXXSLSA-N 446.570 0.095 30 20 ICED O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)N1 1786573110 FNOMARXCMYHGIU-FBAXNIALSA-N 431.514 0.745 30 20 ICED Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)n1 1787048582 QIAUDIVGHYZQLF-CUWPLCDZSA-N 437.500 0.893 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910785 IMSPGDAFVLVLBU-XSLAGTTESA-N 442.520 0.926 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788601541 AGYWZNSMYBRPJQ-YMZMDHBOSA-N 445.520 0.461 30 20 ICED COC(=O)C12CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)(CC1)CC2 1791076972 UXPLXSNBTRPVBY-YYTPORGASA-N 446.500 0.568 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1793562639 UCLJRQIBPRPUEE-SFFUCWETSA-N 437.537 0.939 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794109027 YZUMVBCTHAMIKD-FLTUCWPJSA-N 448.545 0.502 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cc1 1796489203 HEIGSLJAOYAYOD-KMQSCTNJSA-N 441.528 0.765 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798467210 FMJNUJZCPFQNQC-MPTYRVRUSA-N 444.492 0.335 30 20 ICED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798492582 JYECICSEAUYKRA-YWLDUAJSSA-N 432.477 0.469 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC[C@H]4CCC(=O)N4C2)C3)c1 1798694129 FDEYPJGUJCYXOY-GHHWKCCRSA-N 425.489 0.491 30 20 ICED 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]1C[C@H](O)CN1)C2 1804378749 QOIFAAWEXRKJOV-COZGXFGHSA-N 434.537 0.264 30 20 ICED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355217 MJEZYTNOWGPCNS-UZLBHIALSA-N 431.456 0.546 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CSC(=N)N)C2)C1 1829262191 KHCRKUXBVISKMP-NRFANRHFSA-N 443.529 0.698 30 20 ICED CC(C)(Cc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830555092 GDXHNHQTYALDPU-QHCPKHFHSA-N 428.485 0.800 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)CCO2 1830853933 YWTILTAJSYBVSO-JTSKRJEESA-N 435.521 0.769 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830953310 AOVUCSQQHGGRAD-LAUBAEHRSA-N 435.525 0.528 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831207525 PVQBXXUIOSLLIC-HSZRJFAPSA-N 428.485 0.813 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ccn1 1831218643 YKQRMGNTMRZDAR-HSZRJFAPSA-N 441.484 0.742 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)C1 1831393544 NDXCXQGXWNXCFA-UZUQRXQVSA-N 441.484 0.865 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833040703 VAMUUPISYSCAOT-RXVVDRJESA-N 435.525 0.757 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833362627 OVWBSQKVJMHWNZ-CVDCTZTESA-N 446.548 0.791 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CCN4C(=O)C=CC4=O)CC3)CC2)CC1 1833613660 IIAUWGYYFKGMJY-UHFFFAOYSA-N 427.505 0.177 30 20 ICED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833897801 FYQAPOXEUDWYLK-LPYMAVHISA-N 427.509 0.712 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833969161 DYRNUGYMLPRUEY-HNNXBMFYSA-N 445.520 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4ncccn4n3)CC2)CC1 1835540061 IQZOXLNFRICHOK-KRWDZBQOSA-N 438.532 0.953 30 20 ICED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835592806 VFLFTBXEAMGYCE-GREBRCKQSA-N 435.565 0.515 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835651614 AGDIPPVTBNKKGK-IBUCALKDSA-N 437.522 0.172 30 20 ICED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835777883 AWPOHXJWYHPQKW-WSDLNYQXSA-N 427.509 0.562 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1837646951 GCIPOXUFUIQRFR-QKLQHJQFSA-N 436.513 0.172 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1838581768 OKADRJORLSPLMH-NRFANRHFSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5)C3)C2)c1 1838739988 CMFYPTWPWAOJHR-HSZRJFAPSA-N 449.467 0.765 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)ccc1F 1839186612 FJDSMDUWGHCNAQ-HXUWFJFHSA-N 445.476 0.862 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839227732 XKPBRJJWYDAFIT-ACJLOTCBSA-N 438.441 0.189 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422787 NACBETFWWFITAY-HXUWFJFHSA-N 437.880 0.901 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662632 XNLPXILXLZTNDF-QFIPXVFZSA-N 430.505 0.468 30 20 ICED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839678330 TZUGYCYDZSEZEH-HTAPYJJXSA-N 431.537 0.934 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)C1 1840039774 HNUDNKTVVIYPIC-WJONJSRFSA-N 448.422 0.613 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)c(F)c3)C2)C1 1840040181 QWXQBQSZSAAGCU-NRFANRHFSA-N 436.411 0.442 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)C1 1840041196 XROYZGCZMLVYRE-QHCPKHFHSA-N 426.469 0.262 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216670 HRMWHTLHMBOZAP-XTSMJKTBSA-N 437.493 0.666 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343270 DCNNSATYXYPLPQ-FNEOHHHZSA-N 432.477 0.389 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840384548 ATADXCNLKJKYTR-NMWDDECMSA-N 446.552 0.591 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842059156 ZPHZZALYZBNODM-CJNGLKHVSA-N 430.505 0.769 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1847803709 ZTYUJNOWOMJBJN-TXXWUTRGSA-N 435.521 0.598 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](CCC(N)=O)C2)CC1 60374443 WMBLRHUNZAVYCZ-QGZVFWFLSA-N 447.561 0.369 30 20 ICED N#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 60893575 FPRGXWDEMWBTFN-UHFFFAOYSA-N 434.518 0.526 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1=O 61348505 OQIGUWNZRUDWEJ-UHFFFAOYSA-N 446.441 0.673 30 20 ICED COc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1OC 410147218 IVFBCPJNDXPEGX-MRXNPFEDSA-N 438.506 0.367 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 428686128 SKBHDXUQAITIPM-ZDUSSCGKSA-N 432.424 0.938 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)c1=O 442210562 UXSCGWYGAURGRF-UHFFFAOYSA-N 446.402 1.345 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 443549781 HFTSIPXPIGWWSS-UHFFFAOYSA-N 446.579 0.568 30 20 ICED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444508568 RANASDKPGVTIRO-HNNXBMFYSA-N 441.467 1.046 30 20 ICED COc1cc([C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 446137225 HSNMXYLVBDBYPE-BXUZGUMPSA-N 437.478 0.494 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460393940 LIPGDLSTXCOXPR-CABCVRRESA-N 445.553 0.841 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 461345181 ZOIXVUUGAWLJNV-CYBMUJFWSA-N 431.489 0.898 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)o1 473350309 LWPWDSIDFSINNE-UHFFFAOYSA-N 430.509 0.074 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1=O 499422317 ZJNMWICCJUPRIW-JTQLQIEISA-N 430.244 0.826 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)CN1CCOCC1 501863709 PBGLVRZOLVLLES-FQEVSTJZSA-N 429.502 0.820 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502048872 HHTMEPGUIGTJKX-UHFFFAOYSA-N 435.509 0.303 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC1CCCCC1 503969106 NODVFXRMQUUVPD-UHFFFAOYSA-N 429.546 0.489 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1Cc1ccccc1 511805388 FWRHADPXJVKULP-NHCUHLMSSA-N 425.533 0.404 30 20 ICED N#C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@]12C(=O)Nc1ccccc12 513980663 XTMPOPPVZNBNMF-GAJHUEQPSA-N 431.500 0.861 30 20 ICED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 515169018 PIDQKKFVYPESRW-SFHVURJKSA-N 435.532 0.117 30 20 ICED CN1CCC(C#N)(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 518299778 DNQSGPJGHQJJAL-UHFFFAOYSA-N 448.545 0.963 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOCC 523734047 XGYMZBPYHSJBNN-UHFFFAOYSA-N 434.499 0.721 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531598240 GWJNLCGYOVJTJJ-UHFFFAOYSA-N 437.525 0.771 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 537713162 LQJAJDQWFQCNOR-KRWDZBQOSA-N 441.469 0.881 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NCC(=O)NCc2ccc(C#N)cc2)C1=O 543657232 HBPATZSDTSOWDL-UHFFFAOYSA-N 434.456 0.779 30 20 ICED CN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545462873 PKBMMUYWSKPURL-UHFFFAOYSA-N 444.473 0.831 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(SCC)c2)c(=O)n1CC(N)=O 546726808 AWVAZLFGVLNCKA-UHFFFAOYSA-N 444.582 0.926 30 20 ICED C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 552894675 GDAOSYOTJVYMRP-BPUTZDHNSA-N 436.509 0.579 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)nc1 559987624 XLTLQRSOHACFBO-IBGZPJMESA-N 448.483 0.503 30 20 ICED CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 560826259 RMRUASYNDINDEN-UHFFFAOYSA-N 436.472 0.755 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1Cl 562436091 PZBGVFLQUJMTQS-UHFFFAOYSA-N 430.917 0.482 30 20 ICED CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 564113983 YTXFLSNPGGQMQW-QGZVFWFLSA-N 431.512 0.697 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCOCC(F)(F)F)CC2)cc1 576909229 LRJKTOSXKFZXEY-UHFFFAOYSA-N 441.453 0.773 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)C1 579456003 SOTPGSHQXKMMOI-UHFFFAOYSA-N 447.561 0.334 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 585716225 TWVABAFFSZOCBD-UHFFFAOYSA-N 437.460 0.013 30 20 ICED Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587653728 JIAHTGBZKBGFHM-UHFFFAOYSA-N 436.520 0.116 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 588292259 RYOZPOACZDXYRZ-CYBMUJFWSA-N 429.524 0.328 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)c1C 609416807 OECKYMAWEKNRQW-UHFFFAOYSA-N 440.569 0.890 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1 727405060 CFDJUFQIKPNTTE-AWEZNQCLSA-N 435.527 0.997 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144261 IVNNFVJGOQHCQZ-ZBFHGGJFSA-N 434.566 0.794 30 20 ICED CC(C)Cn1nc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2c1=O 732910458 QAWBKMYSNFTODL-MRXNPFEDSA-N 430.486 0.632 30 20 ICED COCCOCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737232715 GJYQGSFWCJEVFS-OQKWZONESA-N 440.522 0.607 30 20 ICED CON(C)S(=O)(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 744334873 CQUBSZPTCHIUOF-UHFFFAOYSA-N 438.487 0.546 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 750415961 WUDQPXSIAMBGRT-UHFFFAOYSA-N 430.398 0.838 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 761030010 CJSNUWOYAATFFV-ZDUSSCGKSA-N 429.340 0.861 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CN(C(=O)OC)C3)nnc12 771078636 XCRNMJSCQWFJPC-UHFFFAOYSA-N 428.474 0.889 30 20 ICED COCCN1C(=O)c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2S1(=O)=O 775550388 AUYFUYXDSHRWSJ-UHFFFAOYSA-N 446.489 0.359 30 20 ICED C=CCOc1ccc(/C=C\C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC 786221057 GNAOXBLOGKXUAT-CLFYSBASSA-N 441.488 0.762 30 20 ICED N#Cc1ccsc1N1CC[C@@H](OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 786368572 SGKYKXNKFRZMCI-DFMBRWPFSA-N 429.454 0.821 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1 787325501 YPARWASLHZYANG-UHFFFAOYSA-N 426.496 0.925 30 20 ICED CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(C)c1 788109032 BUOKOSYSXSRDHQ-UHFFFAOYSA-N 447.565 0.932 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 804262343 MKZJPTQFERXEPE-ZDUSSCGKSA-N 433.513 0.770 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1)[C@@H]1CCCO1 809304240 GMKSFWPRIGIYDE-MNEFBYGVSA-N 430.480 0.594 30 20 ICED C=C(Br)CNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 809646445 BJVJUFWRWLYJIG-HOTGVXAUSA-N 435.322 0.726 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@@H]1CCCO1 815575318 OOZFRLYJLDWJSK-HOCLYGCPSA-N 449.410 0.924 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 916808636 CQDKKBKHEWYDCH-UHFFFAOYSA-N 434.499 0.859 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)NCCNc2ncccc2C#N)cc1OC 917156498 YKOFDNBRLXJZAQ-UHFFFAOYSA-N 433.490 0.867 30 20 ICED CN1CCC(C#N)(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 918782948 XXAFWYPNCDSNSV-OAHLLOKOSA-N 432.502 0.728 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1162640733 VEDKWEKYZAODHW-HNNXBMFYSA-N 449.533 0.258 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1319070497 DIGVLEWYNVFSEI-INIZCTEOSA-N 429.525 0.938 30 20 ICED N#CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 1321785497 COZDZFIAPSJPEJ-UHFFFAOYSA-N 428.470 0.639 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)C1=O 1323488097 DSGSCOWKJIETNT-AWEZNQCLSA-N 431.449 0.994 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(=O)n1C1CC1 1473073464 VJNZOEQTSZSEBU-QGZVFWFLSA-N 440.481 0.869 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N(C)C 1510067248 XCINGQDKABEIKJ-ZBFHGGJFSA-N 425.559 0.301 30 20 ICED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1545776751 KSPLNSHQJHXLKN-GJZGRUSLSA-N 444.517 0.358 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1558643224 PSGUDKWHLKNRPH-ZFWWWQNUSA-N 442.563 0.421 30 20 ICED CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)c1=O 1615727802 YBRZSUPYRFCBTF-IBGZPJMESA-N 447.499 0.998 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1615937917 LMPQNKYXSDVQEN-UHFFFAOYSA-N 434.508 0.252 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1660436798 MTGZRXRXUAWDJN-UHFFFAOYSA-N 446.508 0.976 30 20 ICED CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1692210716 MASBEPBPBNPZHV-UHFFFAOYSA-N 432.554 0.619 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705747546 OVOJJCSWZKQAIE-GXTWGEPZSA-N 429.934 0.952 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1711318936 QFBRPTBWUUDXET-IBGZPJMESA-N 431.522 0.328 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1750061956 SLRUMXLDKLCYHX-UONOGXRCSA-N 446.599 0.842 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760367382 PYTSABWFUNSCSW-NWDGAFQWSA-N 440.979 0.111 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829225 HAHLTOBZGAKRAA-BOURKTIISA-N 426.481 0.040 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887146 SSFBKIYIJQLTNV-HJPURHCSSA-N 438.484 0.415 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1778978701 ITLCWZHGPONRPL-VGOFRKELSA-N 427.505 0.675 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779099491 HTUSWZYOSAYEGX-AMGMZLQMSA-N 446.504 0.992 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779877145 RLSWTORSQGDIGQ-OAQYLSRUSA-N 438.419 0.344 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCNC(C)=O)C3)C2)c(C#N)c1 1783189601 VANAGYCLBBYZDQ-JOCHJYFZSA-N 428.489 0.465 30 20 ICED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1784202056 YPLFJNVBABFTQQ-NRFANRHFSA-N 430.461 0.780 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389522 NDJVFUXVNNJSHR-CSUTVWHKSA-N 438.510 0.256 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1)n1cnnn1 1784598215 PZRILNQSHCUXPY-VLIAUNLRSA-N 427.440 0.317 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785213994 FWNYJRQGIYALRO-NZUILWFCSA-N 425.511 0.725 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(O)n1 1785774636 SXSIRPBAABJAID-WBAXXEDZSA-N 427.457 0.587 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786369238 YAJRZNRIWCJANH-OSAWLIQMSA-N 436.509 0.252 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787472777 VUGXUDMDYYZWKA-MUGJNUQGSA-N 442.564 0.213 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791285363 SSFWWSBIKKJSIK-KGYLXKDPSA-N 428.485 0.634 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286664 GCVAEBBDCCZPDO-HYUNPYRHSA-N 427.498 0.383 30 20 ICED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)c1ccc(O)cc1 1791335401 LUXNIIJNRWUGIR-UMGGQSCQSA-N 442.516 0.537 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C3)C1 1792441481 PPMLCCNFUQEAHZ-RHQZKXFESA-N 449.548 0.770 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793257078 UMRSHGWDZSVYLT-AJYBTWMASA-N 447.532 0.625 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nnc(C)s1 1794107865 YTTVWXMFUMTPBQ-CCWDJLKJSA-N 436.534 0.878 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1794107961 DHTVZKZZAGNSJD-FRQROOTJSA-N 428.489 0.549 30 20 ICED CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084931 AHVNKOCPOYJXHG-DPIQGUFMSA-N 440.909 0.828 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2nncn2c1 1797463412 SOJGCNCRTRZPQO-OXMUTQJASA-N 442.476 0.462 30 20 ICED Cn1ccc(=O)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784172 NLBMJVARNPPGGJ-UPHUGPLXSA-N 427.501 0.287 30 20 ICED Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797808942 SABISXIZAURTQC-HXRSQUDLSA-N 433.509 0.619 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1797964603 NTUNGFDJIIISOQ-NLSWJDMASA-N 449.529 0.228 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 1798359090 XJOMWOQDEYJBDL-RUGDWHBFSA-N 448.483 0.720 30 20 ICED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)C3)no1 1798509890 AJOFHIXZKATPMX-QSUCNIOSSA-N 447.492 0.880 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)c1 1798576334 NYTDCGRFWRJWQF-RMFSNUHRSA-N 444.557 0.819 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c(C#N)c1 1799237505 PBNQQEGHUNJEHO-FEJSZKPUSA-N 440.500 0.321 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1c(O)cc(O)cc1O 1799658209 CTFLVBZNMXIMMX-CGHCWTQBSA-N 449.460 0.536 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cc3cncnc3)C4)c2c1 1799883585 NWMKGMSUYXTZCM-CWPLJXCYSA-N 431.456 0.670 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801655971 VAUGSBBZLXWFOS-BCDXTJNWSA-N 427.505 0.271 30 20 ICED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1802685101 SAYFHMRLWFLIGO-IEBWSBKVSA-N 447.561 0.368 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@@H]1c1cccnc1 1803507707 UJXNSYVYINBOCJ-BFJAYTPKSA-N 428.580 0.734 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807144505 ZSULFIWQSXDFBG-AYBZRNKSSA-N 428.537 0.881 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192673 BKBMNEFLGILUOC-HLIPFELVSA-N 445.520 0.190 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810091394 WFQIFDJUJMPQGL-KLICCBINSA-N 434.493 0.743 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)C(F)(F)F 1812682076 JNIGVBKCTJSJJK-FUHWJXTLSA-N 444.454 0.493 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814809156 CUTNTSAITISHIP-RISCZKNCSA-N 444.492 0.972 30 20 ICED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)C1 1816666527 CGRYDAJVBGULCB-JTQLQIEISA-N 426.462 0.461 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493253 DTWFKPMVNHJGCA-GHMZBOCLSA-N 429.458 0.895 30 20 ICED CC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CC#N)C2)C1 1829301536 ODYFXKDONLYRGO-JOCHJYFZSA-N 441.488 0.488 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)C1 1829666734 LIDKZJXLGJZFIV-QFIPXVFZSA-N 429.473 0.889 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscc3C)C2)C1 1829766281 PTKNEFROCLLPRM-NYPGBQQYSA-N 433.530 0.985 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830634370 MYWYLVWFNMDEMQ-NFBKMPQASA-N 445.516 0.800 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1831405762 JECVHGRUKFGAQI-UGKGYDQZSA-N 434.537 0.958 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833628574 VSCHPLJJLZZNBR-VFNWGFHPSA-N 435.452 0.338 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834038203 FBWVXKOIYTZIDV-REWVYZQPSA-N 446.504 0.989 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1834919123 VYYAPKUGHFDIFA-XOBRGWDASA-N 445.463 0.625 30 20 ICED CC[S@](=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100390 QLKHAJZKFFMXII-RCRUUEGKSA-N 432.542 0.653 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835378447 YAPSWKTYMMIJBB-QFIPXVFZSA-N 437.537 0.438 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835811751 FFSHTZAIQRFDEI-QMHWCDLVSA-N 431.533 0.776 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)cc1 1835845482 UECFMPRVKKBUBB-FQEVSTJZSA-N 427.486 0.981 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cc(Br)ccn3n1)CCO2 1837184730 VNLTVRBSSKGFGN-LJQANCHMSA-N 447.289 0.800 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837330161 ZCDULTOGAPVEGZ-HXUWFJFHSA-N 433.534 0.712 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1837396256 DXVUBXBJUAGHOC-VGSWGCGISA-N 433.505 0.739 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837398504 CKBPFBFDIZJPDD-MBSDFSHPSA-N 442.516 0.977 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837492761 RSFDVVBJQFIMPT-RDPSFJRHSA-N 447.576 0.483 30 20 ICED Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529773 YFTUVGLSKGHNEV-CMEFWWCBSA-N 434.493 0.922 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838099758 OHWVORXWSKGILM-QFIPXVFZSA-N 440.456 0.955 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3-c3cccnc3)CCO2)C1 1838498526 OQYMPPXAGZZXKE-JLTOFOAXSA-N 431.518 0.860 30 20 ICED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1838514550 HRVRJTKIJKPQMS-XOBIUNJKSA-N 447.536 0.703 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838667802 XHDNYEYMMCSOKU-ICTHTSFCSA-N 444.488 0.024 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CN)c4ccccc4)C3)C2)c1 1838735883 ABTSAPKEYCUMCQ-WMZHIEFXSA-N 437.500 0.699 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420530 OKPKTYLPGMKKEF-OAQYLSRUSA-N 443.435 0.960 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1839425159 PPGDIQLRLKXUCB-HXUWFJFHSA-N 431.832 0.370 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1839842753 FSQAGKZCUSVBNJ-HYFFOGBASA-N 445.520 0.264 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839890772 SCRRFSISKKGYQZ-MHJFOBGBSA-N 442.459 0.998 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839890773 SCRRFSISKKGYQZ-SOAGJPPSSA-N 442.459 0.998 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049882 QRFVBEUHRKXXDT-MTXNFPGFSA-N 446.544 0.709 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1C(=O)O 1840158325 JGQDMAGNTPMOLM-BFUOFWGJSA-N 440.522 0.551 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840164112 YCECLKAPWQHZPB-BTYIYWSLSA-N 434.562 0.158 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C3=NNC(=O)C3)C2)N(C(=O)OC(C)(C)C)C1 1844224819 GQPJDOLVYNILQB-HNNXBMFYSA-N 431.493 0.631 30 20 ICED CC(C)[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NC(N)=O 18662268 IXVDQGXGLLHWFL-INIZCTEOSA-N 436.490 0.722 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 24265272 TYPVYQXQWUYEOB-CYBMUJFWSA-N 425.467 0.301 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)c1 32953900 BLFZTKDRHXRMBQ-UHFFFAOYSA-N 441.513 0.937 30 20 ICED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 431606205 DJSMGACWPDOYMF-UHFFFAOYSA-N 437.341 0.528 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 437043659 GDVSXVIIIFKCBP-GUYCJALGSA-N 425.507 0.981 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 437109615 SIKKXDLRJRDLIG-MSOLQXFVSA-N 448.483 1.450 30 20 ICED Cn1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc(Br)c1=O 446528777 XKWNTOBJTNPZEX-UHFFFAOYSA-N 440.298 0.161 30 20 ICED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460947315 QWMJUCFJJWUNMZ-MRXNPFEDSA-N 435.554 0.911 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCOC2)c1=O 478864160 ZEGBFHYSUHKQCE-CVEARBPZSA-N 442.541 0.832 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)n2)c1=O 479378417 FBGBIHGSFLLZKA-UHFFFAOYSA-N 444.513 0.294 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1cnn(CC)c1 480954103 RDDXNXGORGVJPB-UHFFFAOYSA-N 441.538 0.991 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1=O 485607422 DZYLALPZISIXBV-UHFFFAOYSA-N 432.384 0.182 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cn1C 493921576 YPOXNJJKNKRENJ-UHFFFAOYSA-N 427.490 0.975 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)C1=O 503615435 GYNSVCPFADKTGU-CQSZACIVSA-N 441.448 0.891 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 508134958 OQWQEXDSLZLHGM-NJAFHUGGSA-N 444.513 0.205 30 20 ICED Cc1[nH]nc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 508754418 REEMNPXMAPJRQI-UHFFFAOYSA-N 448.480 0.981 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(C(=O)N(C)C)CCCC3)CC2)c1C#N 516988588 AATOXZLPAXJBGL-UHFFFAOYSA-N 429.525 0.014 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 534898960 HVWOOPCVHIFVOD-MRXNPFEDSA-N 444.517 0.840 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)cc1 541076978 YCYAUIAPOPORHB-UHFFFAOYSA-N 441.509 0.560 30 20 ICED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)nn1 556386044 DIVNVJWMRDFAAV-UHFFFAOYSA-N 431.460 0.833 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 564735803 XJEQCSRKFCZWHE-CVEARBPZSA-N 436.871 0.946 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 569408686 YMPGPLWPTWRBIA-QGZVFWFLSA-N 447.565 0.928 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 588364211 CSCYWKPGKVYKOU-LBPRGKRZSA-N 429.296 0.799 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(C)(C)CN(C)C 608912695 VEVBXIHBSGFDIY-UHFFFAOYSA-N 448.614 0.825 30 20 ICED N#CCn1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 609881448 PRDFQPQJUPBXAX-QGZVFWFLSA-N 443.529 0.226 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610807160 LVMMNGQGKVMYJA-ZBFHGGJFSA-N 441.513 0.719 30 20 ICED C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cn1 616046837 UMBOTQLURXFGCG-UHFFFAOYSA-N 431.536 0.301 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 619683343 XYIMDPSQYCYYKG-UHFFFAOYSA-N 434.396 0.936 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 670994023 UYQUPMLLULAWKX-NRFANRHFSA-N 441.576 0.776 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577560 RRNJKICYHOAHFN-UHFFFAOYSA-N 428.520 0.694 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 728533098 ADBFTWWVZWEORD-KURKYZTESA-N 448.589 0.177 30 20 ICED CC(=O)c1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 729881522 WXUJNEGOKBXONO-UHFFFAOYSA-N 444.469 0.779 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 746091992 RIPGVDXJKSLMBR-VHEBQXMUSA-N 434.474 0.563 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)cc1 767212807 ZTRCNXVCDNCQGZ-UHFFFAOYSA-N 436.467 0.952 30 20 ICED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 771513888 ORYSQLKOBKLFQL-GOSISDBHSA-N 434.294 0.884 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 784847945 CWRDBSWGMYCUKY-HNNXBMFYSA-N 436.534 0.630 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccsc3)c2=O)c1 790437507 IOUNHCNYOPDFSW-UHFFFAOYSA-N 426.523 0.661 30 20 ICED CC(C)(C#N)c1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 796040726 RWUOCSNRMVFJFC-SFHVURJKSA-N 433.530 0.976 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@@H]1C#N 796664330 SECQGLRZQDCHDR-JYJNAYRXSA-N 435.481 0.162 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 802578885 OGLPESRRFGGMHG-UHFFFAOYSA-N 448.545 0.728 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)nc1 805328611 YKZDBMBVMJBPPV-HXUWFJFHSA-N 436.516 0.541 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 916622084 QATNLDHWBVDRFK-OAHLLOKOSA-N 437.474 0.181 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 916809005 KPQFWSOTDZPJSU-UHFFFAOYSA-N 435.483 0.698 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C 918729933 LIQDXAKSEVSJBJ-UHFFFAOYSA-N 430.917 0.457 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 919048516 MOWCDIJNOICAOK-UHFFFAOYSA-N 436.486 0.557 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286629983 PFQPSJYOCUCAIV-GXTWGEPZSA-N 428.946 0.973 30 20 ICED CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1305989349 QPDOJHVZOINRFM-INIZCTEOSA-N 434.522 0.697 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(=O)N(C)C 1318909542 MXLVSASEPYZBCA-UHFFFAOYSA-N 436.537 0.292 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](O)(CC#N)C3)CC2)c1 1460297290 KOFIHKOHBPLMHB-HXUWFJFHSA-N 434.518 0.073 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1541802791 XJEKUVJJLGMHQK-AWEZNQCLSA-N 436.567 0.852 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1548329062 XTTFOFMZUMMFNT-DYVFJYSZSA-N 427.506 0.343 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1624820019 VRNOWSJZZCQIKQ-HIFRSBDPSA-N 433.511 0.912 30 20 ICED CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC12COC2 1680779113 SBDHPYTXHUAWMX-ROUUACIJSA-N 426.473 0.880 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCO1 1706050349 RKUUEAUULGKTHR-NQIIRXRSSA-N 426.477 0.309 30 20 ICED CC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1708326820 GEXQTIGYPMIRFO-QFBILLFUSA-N 440.570 0.902 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)cn1 1777800207 LYBBYLVNMPRGIV-YLJYHZDGSA-N 434.518 0.667 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474987 HLJWDYJFBMUVIJ-RXQHMNIESA-N 442.476 0.702 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c1 1779096149 NLLGESHEJYCEBI-ODOSVJCGSA-N 442.516 0.408 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779123975 WZQXILUJDKEYDE-NRFANRHFSA-N 448.476 0.052 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779138881 GEHXNBPBHDRORD-LWOHLBADSA-N 429.429 0.959 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779339120 CZAWTYWOXDAWFV-IQUTYRLHSA-N 449.470 0.752 30 20 ICED Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC#N)C3)cn2[nH]cnc(=O)c12 1780018432 BWCKNHMVSHHMLT-IIBYNOLFSA-N 426.477 0.762 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1781268483 QOKIVOUTGFPLLL-OXJNMPFZSA-N 436.534 0.352 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1781268800 XTJJKHLJFPZTJJ-NRFANRHFSA-N 427.461 0.682 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781484638 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N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c1 1785545383 QELSDMAZXHDDBK-HXUWFJFHSA-N 444.538 0.862 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21 1786702782 KBCMCKGUSZPYQS-ZQIUZPCESA-N 449.471 0.468 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4cc(Cl)ccn34)[C@H]2C1 1787240952 BDBJRGZVHYSTLI-NOLJZWGESA-N 430.848 0.669 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788474139 WYVQGRYROKIVQN-DWRORGKVSA-N 430.461 0.216 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658359 JZMJMNORCMXXKU-QBXHNJCQSA-N 448.524 0.423 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3Cl)[C@H]2C1 1789081151 HFIHMARHKSRJKP-UVWMWBFKSA-N 435.912 0.525 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C[C@@H]32)c1 1789345226 SAJWZZPOXVSMKM-NSOKGPEJSA-N 439.516 0.881 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)CCC1 1792244983 GFISQSKAXYDXSN-IHRRRGAJSA-N 436.559 0.520 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c1 1792831257 PIEVNCWUIHZVFO-JHDGKUDLSA-N 426.517 0.413 30 20 ICED COc1ccc(C(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1795139422 QXOWEXXSDWVDHR-MFKICJERSA-N 428.441 0.336 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796044064 ASSZWYNQWCMAMJ-IVSAIRAKSA-N 437.541 0.750 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N(C)C(=O)OC(C)(C)C)nn1C 1796510259 MMRBTSTZPXPCOM-ZSBFGKGUSA-N 431.493 0.628 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(NC(C)=O)cc1 1797231677 GDIARJZCVKAESC-XCRNZQRYSA-N 427.501 0.815 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1797836288 JPRVLJYRPARTJU-ISNXFKDISA-N 427.417 0.090 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797863629 JAJGOINMJLVWDZ-QZLJAVCYSA-N 435.550 0.139 30 20 ICED C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1797973651 SRXOYFMLXYLLLZ-BMFAXAFESA-N 428.537 0.753 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cnccn2)C3)c(C#N)c1 1799238047 XGVYYAPEVLSTJU-FEJSZKPUSA-N 435.484 0.732 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CCOC1 1801990887 XCEQFZOWWOCUKX-FQEHYLHMSA-N 435.477 0.396 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1802197962 ZJLLJAWBZFGHJE-ALXJQNPVSA-N 435.496 0.948 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)C1 1806002403 APXCWKMERJCFDT-APWZRJJASA-N 436.505 0.751 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cccc(=O)n3O)C2)CC1 1807549549 AHMKAOZCVUMOKT-FPLPWBNLSA-N 428.489 0.789 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CSc2ncccn2)[C@@H]1c1cccnc1 1807577018 QGFZERFFJFZBRX-BEFAXECRSA-N 425.470 0.758 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807603757 WONXWWMQNGGRNW-FXAWDEMLSA-N 426.477 0.889 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(n2)NC(=O)CC3)[C@H]1c1cccnc1 1807945021 LHBOBEJQARDGPZ-IIBYNOLFSA-N 447.451 0.769 30 20 ICED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(C#N)c1 1808268302 XGDGLPBTJIQOGE-PIPMEXSNSA-N 436.516 0.496 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1810090865 ULIBPOSJQDYFBZ-KLICCBINSA-N 432.477 0.190 30 20 ICED CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1812658282 KLNISYNNUCTQGG-QUCCMNQESA-N 428.537 0.895 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)CCC1 1812720433 NMZWMHZOGZUZDX-ICSRJNTNSA-N 429.521 0.068 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)CCC1 1814055649 WRXYCMAUAYRADV-AZUAARDMSA-N 429.521 0.068 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1814439532 NSNFGBTYQFYBKP-XHPSBEMXSA-N 440.460 0.185 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452613 QSUVLSAQWXNHMY-HUGYNIHPSA-N 449.512 0.524 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)cc1 1822161181 VROJNYIHLNYCIN-GXTWGEPZSA-N 438.469 0.839 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)cc1 1822161184 VROJNYIHLNYCIN-TZMCWYRMSA-N 438.469 0.839 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNCP(=O)(O)O)CC3)cc1 1822162887 BCHVWKFJBOHJGB-ZDUSSCGKSA-N 449.429 0.965 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)F)CCN2C(=O)OCc1ccccc1 1828852506 ILCMUFHHFVWLDH-OAQYLSRUSA-N 449.410 0.792 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1829786830 CXEZQBBVIGFZFQ-HXUWFJFHSA-N 430.567 0.870 30 20 ICED CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830016652 CHJXJBXSFPFSQY-KVQDXKSSSA-N 427.498 0.397 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1830342833 JNXNVAIKAGOUCL-QZTJIDSGSA-N 436.553 0.708 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1830873298 OGJBANGTWVCKEG-UGKGYDQZSA-N 441.488 0.521 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1831419020 JLXNQGJZQKBFIL-DYESRHJHSA-N 425.526 0.340 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1831426760 OSHQFYONBPSMRR-WAIKUNEKSA-N 443.500 0.842 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1831602907 HFXVEGUGHBXSQK-GYMFNRCXSA-N 449.529 0.455 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353793 LBPVVZYQZODDJS-UZUQRXQVSA-N 446.548 0.784 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NCCC)CC2)CC1 1833465309 WTVOKDHWTUBDOY-SFHVURJKSA-N 434.581 0.903 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833824335 JRCWGPFLULUDNB-LAUBAEHRSA-N 434.493 0.255 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834623349 JTENSGBADGTSMR-QGZVFWFLSA-N 425.643 0.514 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834769402 FLULTXKVTLSMGL-UHFFFAOYSA-N 431.541 0.582 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095905 JRYLBAPKNAGRGI-WZONZLPQSA-N 427.501 0.409 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835110870 ZPPHRUOWELWUBN-AUUYWEPGSA-N 445.589 0.774 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835672650 FXAJOEVUDSUCBA-JOCHJYFZSA-N 445.520 0.904 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969695 SAPSXGBRCLJREA-KXBFYZLASA-N 426.901 0.584 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc(Cl)cn4)CCO3)C2)c1 1835974568 ILQVLVJGUFJPRH-LJQANCHMSA-N 432.868 0.506 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836468467 ATYLGTKMBQZAAL-AOMKIAJQSA-N 447.488 0.514 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837286647 GYGSKLXKMIVLRP-LVBDUCALSA-N 449.548 0.292 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1837488377 BWKHMFITUKDLKX-QFIPXVFZSA-N 430.505 0.038 30 20 ICED Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525691 YUFWCYHRXYSNHB-REWVYZQPSA-N 446.504 0.989 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n1 1837525747 YXDXUHJTSGOMEX-YITPPGKRSA-N 449.508 0.177 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564434 OGGZTCMADOQQFY-PFDQHCLKSA-N 427.461 0.567 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](N)CN)CC4)CC3)c2c1 1838075242 CTTBTDHICXVKQE-SFHVURJKSA-N 439.520 0.333 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838647204 DVPKQGNAWQNDLZ-NRFANRHFSA-N 431.493 0.139 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4ncccn4)C3)C2)c1 1838736087 ISFSLMYHJHVUGA-HXUWFJFHSA-N 442.501 0.539 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)c1 1838907276 JAMUXPFJZWCEER-QHCPKHFHSA-N 449.467 0.662 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839363528 KFPLMCJQBZOAJF-CVDCTZTESA-N 440.500 0.443 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448757 SIALSFHROCYLRV-YCRPNKLZSA-N 435.477 0.969 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633862 VMDYBWSOXMMBBK-QPPBQGQZSA-N 436.512 0.622 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839888534 SXQBIXFYDQZEPE-LSDHHAIUSA-N 430.370 0.968 30 20 ICED Cc1cc2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c2cc1C 1840042281 LFTHRWSUWDAHAR-JOCHJYFZSA-N 440.456 0.338 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840163216 FJHSAZKOXUCWJN-UQASEVPWSA-N 432.546 0.527 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccc1[N+](=O)[O-] 1840165575 CEOSXAKRDPZTID-YJYMSZOUSA-N 439.490 0.992 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)cc1)CCO2 1840279694 XBCQPGIBLJWTOG-QHCPKHFHSA-N 428.485 0.886 30 20 ICED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1840405572 WMDWYGFGTRTMSZ-VDLOTPGUSA-N 443.504 0.921 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)c1 1840714051 UTYJLVCATFUCBZ-HRAATJIYSA-N 449.529 0.428 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1841612796 UPUCRTJINNNROV-GJZGRUSLSA-N 438.525 0.550 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1)N1CCN(C)CC1 1845582240 IFSYIWTUPPSRGT-MRXNPFEDSA-N 435.532 0.887 30 20 ICED COc1ccc(Cn2cc(CC(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cn2)cc1 1846195062 XXQIUDPBHVUNCG-UHFFFAOYSA-N 436.468 0.774 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(S(C)(=O)=O)CC3)nc12 28787070 JMKHQINVWKAIHT-UHFFFAOYSA-N 434.547 0.901 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)C1=O 440261939 ZWEZRGVXUVPCAJ-WMLDXEAASA-N 436.534 0.947 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCOC1 441945015 HEGRLUCENPWUSL-CYBMUJFWSA-N 449.554 0.282 30 20 ICED COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C(=O)OC 442104497 BMTLJKKBOQQRGO-APHBMKBZSA-N 437.474 0.178 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 447465102 XEGBOFASGMYHNV-YJBOKZPZSA-N 434.493 0.805 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 475629556 VWWCOYIACZPCBK-UHFFFAOYSA-N 441.492 0.797 30 20 ICED C=CCc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 497329487 PVUVGFKMVWGTLB-UHFFFAOYSA-N 427.461 0.496 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O 499942127 XETQJQVAQHIWDB-DOTOQJQBSA-N 425.576 0.983 30 20 ICED Cc1ccc(C#N)cc1S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 503233281 POLHFUWWOUMBAS-UHFFFAOYSA-N 449.510 0.989 30 20 ICED CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC(O)(CC#N)C2)cc1 506364880 SPSHYUWJWYEMBA-MRXNPFEDSA-N 427.548 0.972 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 506894484 IOXHMIMJUWQQBI-OAHLLOKOSA-N 447.473 0.692 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3cnccc3c2=O)CC1 508176171 KZTMLASGCNRLSD-UHFFFAOYSA-N 438.469 0.196 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509401533 HOGSUBMHMQMDFD-CQSZACIVSA-N 445.523 0.688 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1 517860682 VFZOUJCADFTYLF-SJORKVTESA-N 431.514 0.964 30 20 ICED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc1 520647623 XDZAHFSTCKOOGS-KSZLIROESA-N 444.513 0.805 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOCC 523735657 VHPWORNBTZKPQG-UHFFFAOYSA-N 431.489 0.899 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 537046411 JOEVSJKXDKWCFF-BHIFYINESA-N 446.640 0.991 30 20 ICED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 550689108 MIFVIELHEDATAK-NRFANRHFSA-N 433.512 0.998 30 20 ICED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 558075423 LWZBYXOBXPTANV-CABCVRRESA-N 443.460 0.765 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 559064082 WIKNJSVAPGLZAD-WMZOPIPTSA-N 438.488 1.070 30 20 ICED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 564216381 XHMAUQIHLKXBCO-KKUWSCMFSA-N 434.566 0.445 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C#N)C3)N2Cc2ccccc2)CCO1 576500794 WRKAQDJKNUMLDO-UJOPUZHASA-N 437.500 0.522 30 20 ICED Cc1ccc(CNC(=O)C2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 588125798 MDFGEYHLRGYQCB-UHFFFAOYSA-N 425.533 0.954 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 589160141 CQMYALXPHLCYOO-UHFFFAOYSA-N 447.582 0.750 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(OC)nc1 608883479 CMPGCFSDNOBHRW-UHFFFAOYSA-N 440.456 0.699 30 20 ICED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 611609403 TWUPMXYIOMVPRM-ZDUSSCGKSA-N 438.444 0.819 30 20 ICED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1 615632530 QNDPVYKXRAMYCR-OAQYLSRUSA-N 431.468 0.762 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 619464129 ZUJSQKPNAMYDTI-UHFFFAOYSA-N 444.561 0.051 30 20 ICED C=CCCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 675104664 BUETXKFRCHKCPB-UHFFFAOYSA-N 437.518 0.763 30 20 ICED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2c(Cl)cccc2Cl)c1=O 727164604 SHHQHZCLJNWQGK-UHFFFAOYSA-N 443.337 0.792 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 731128755 ASWPZLCQILZUEN-UHFFFAOYSA-N 426.520 0.409 30 20 ICED C[C@H](CS(C)(=O)=O)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 733275445 JSYIQOMEYXQFRZ-CYBMUJFWSA-N 427.548 0.929 30 20 ICED Cn1cc(N2CC[C@@H](OC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2=O)cn1 733832209 XPWKAOGHOJNZCB-DLBZAZTESA-N 436.428 0.845 30 20 ICED NC(=O)c1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 735479918 DEWAOZMIVLMSFW-UHFFFAOYSA-N 441.513 0.563 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)ccc21 735765851 SFSUNGJDUWUNKV-SFHVURJKSA-N 428.489 0.966 30 20 ICED CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 748984175 VMPZFDJXSKFONN-JZRFMTABSA-N 435.506 0.175 30 20 ICED CCNC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 749019819 BBXBCQWPOCXRJA-UHFFFAOYSA-N 444.469 0.768 30 20 ICED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c1=O 750418731 QGWDONUPUMFNII-UHFFFAOYSA-N 426.454 0.701 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1C#N 752400175 PVVKZIHJTQVZJW-UHFFFAOYSA-N 437.478 0.607 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758051106 WXLPTGRZDQMYRG-UHFFFAOYSA-N 431.521 0.815 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 758089372 MBFYPUFDULDLJE-YOEHRIQHSA-N 429.882 0.331 30 20 ICED C=CCc1cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1O 768250114 NRHSGWOZCNZREX-QGZVFWFLSA-N 444.575 0.764 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cncnc2N)c1 774446816 LJHFVWGRCCSTNS-IWIPYMOSSA-N 431.478 0.127 30 20 ICED CCCc1c(NC(=O)C(=O)NCCS(=O)(=O)NCC)cnn1-c1cccc(C#N)c1 785993894 ZWVIYUFIQNORFH-UHFFFAOYSA-N 432.506 0.690 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 785995541 WROLQKQEDDAFRT-QGZVFWFLSA-N 431.514 0.722 30 20 ICED CCc1nsc(N2CCCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787756853 SAPONTQEPAEJBV-UHFFFAOYSA-N 428.522 0.634 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 787778090 MVWCOZLMGLCDEQ-UHFFFAOYSA-N 449.515 0.336 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)n1 790428020 AJHCNNOYGCIXGQ-UHFFFAOYSA-N 435.527 0.086 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CC(F)F)cc1 797367081 BAHWCDBTJVPWGE-RCCKNPSSSA-N 432.449 0.524 30 20 ICED CCN(CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 804258599 BLRIGYXWVGSHNH-UHFFFAOYSA-N 430.509 0.975 30 20 ICED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 807551699 CSSRRRPYCZAFNJ-UHFFFAOYSA-N 433.412 0.361 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O 814250061 GKPMPIGRILNDAG-UHFFFAOYSA-N 437.472 0.365 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1F 914465738 XHWLRRALYHJLJN-UHFFFAOYSA-N 438.525 0.670 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)c1 916422647 GWFCAQKNXWXWSI-HNNXBMFYSA-N 445.453 0.336 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CC(C)C 917355142 SSCVUEHDKPMCST-UHFFFAOYSA-N 431.562 0.572 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN(C)S(C)(=O)=O 918564814 JHDQKGFDJAGBHQ-OAHLLOKOSA-N 444.579 0.538 30 20 ICED COCCN(C(=O)CN(C1CC1)[C@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1171820580 OOTKYDDDFDKASX-OAHLLOKOSA-N 440.504 0.935 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCNC(=O)C2CC2)cc1 1316534203 RTSVJQGHNGDGQV-UHFFFAOYSA-N 437.504 0.957 30 20 ICED CCN1CCN([C@H](C)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818304 MPMNRBRCEOXODB-APWZRJJASA-N 426.521 0.905 30 20 ICED N#Cc1ccc(F)c(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1466788483 IXRGOYHSEDEIAY-CYBMUJFWSA-N 430.483 0.364 30 20 ICED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1509756003 HZRAYJURIFLCDJ-SFHVURJKSA-N 439.520 0.774 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1608365230 CTJTWHIJKHAAKG-OAHLLOKOSA-N 437.570 0.970 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)O 1752281086 JWDABSYQFYPKBZ-HUUCEWRRSA-N 439.524 0.767 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380856 OQLMFZNRSAGSQS-OXQOHEQNSA-N 435.550 0.415 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1779137902 LVIIFOBIFWWNKU-SZZBOLBSSA-N 430.383 0.207 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccccc1=O 1779268626 ALIHBLUECAKRCW-KJVBMENBSA-N 446.504 0.768 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779422113 TYURZINPQJYDRE-VDTMJOQVSA-N 436.509 0.308 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1781265099 JJBJCSOWLNKLKE-OAQYLSRUSA-N 432.477 0.340 30 20 ICED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903995 DEKBKQSWQCISOG-IBGZPJMESA-N 449.305 0.900 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSCC(=O)O)C[C@@H]32)cc1 1783606162 DTRMZQOPJHODMP-BZSNNMDCSA-N 431.514 0.898 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784346318 VSVDQLBKJIJRNY-ZJSDXAAXSA-N 427.505 0.203 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218235 ZMRAEQFBCVXLDL-OTRWWLKZSA-N 436.469 0.572 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1788653000 QJSTUELZQSLXRW-CYEHHEDASA-N 435.477 0.822 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788658906 CFCLECQEWSYURZ-QCNRMSFKSA-N 447.435 0.605 30 20 ICED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1791132363 JMFQHTOAJAJOBX-JPLJXNOCSA-N 446.610 0.990 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1792566610 LFRWMMUPXWMQOM-FYVVFRBKSA-N 436.472 0.200 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792717263 HMFYIBSJRQSHKT-HHUCQEJWSA-N 432.517 0.891 30 20 ICED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795355191 QUHOITORXVYBER-CCWDJLKJSA-N 427.461 0.301 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CCC#N)C2 1795421534 CZFDBBPHIYVJTA-OAFZBRQQSA-N 443.504 0.516 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796423286 OZHRXBNBXSZPBW-ZZVJUGKHSA-N 426.564 0.298 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797136841 KLNHLFWLTJMTLI-YYIAUSFCSA-N 447.623 0.202 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1 1797626645 ARIDYEHYAUYLMF-PJKMLTEKSA-N 437.504 0.850 30 20 ICED COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cc1 1797739778 DPOMDJXRDWEGGE-UEFYPOGQSA-N 444.532 0.790 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1798859482 ZJUOQJINVSXEDB-OPVJXMOQSA-N 446.529 0.187 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1802476654 LVRGTWYMBUPDIW-OPYNEWBTSA-N 427.461 0.054 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1802477521 OZIZBZRXHSWPAK-CGYSWORWSA-N 441.488 0.398 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1804190395 NFPGSFNDBVSOOC-WIYYLYMNSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccs2)[C@@H]1c1cccnc1 1804572215 CHQZXBSYZWIUBG-YWZLYKJASA-N 440.481 0.667 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)CCC1 1807029832 XCTQEZWSUOCITC-NVXWUHKLSA-N 435.421 0.506 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@@H]1c1cccnc1 1808851956 AJLZDSBPQWMWGQ-VYCZESIESA-N 449.508 0.953 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810284449 ORNHWGNVJHKECG-AZDINULQSA-N 442.564 0.891 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324019 RLLQMVOCXNDMCA-GHMZBOCLSA-N 443.489 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817297350 ZTHMIIASZAOKIE-HNNXBMFYSA-N 431.497 0.751 30 20 ICED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=N/N2CCCCC2)CC3)CC1 1818799849 IGZRHWWWRSNZET-SITPEIFSSA-N 447.609 0.774 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452426 NRVATCRXNDQKMM-OHSSEJESSA-N 449.512 0.524 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774623 KMKVRRMNLYVYBA-KBBBTLNTSA-N 435.554 0.974 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821715468 OBMUUFIXMPCKBB-CQSZACIVSA-N 449.464 0.454 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)cc1 1822161182 VROJNYIHLNYCIN-JSGCOSHPSA-N 438.469 0.839 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)[nH]n1 1822202521 URLMDHUJYACPSJ-DZKIICNBSA-N 427.461 0.891 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1822920759 RKTPDKHQIMMMKZ-CMPLNLGQSA-N 449.489 0.163 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1823748598 YBNYWSISTMMOBM-PILZBJCKSA-N 448.564 0.115 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828964662 LWFANJLXVJRBHY-KEJXYCAPSA-N 448.564 0.115 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)cc1 1829635453 IDDGRVKXGAHAME-NFBKMPQASA-N 427.501 0.984 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1 1829636423 ZYTRIAWATGPTCB-QFIPXVFZSA-N 428.489 0.213 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)C1 1829669830 IRAIRZWXLUEISA-QFIPXVFZSA-N 441.488 0.367 30 20 ICED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830459315 UUIDDXSWUFNANJ-QHCPKHFHSA-N 428.533 0.947 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1830642918 RDQXWRBKVHPMBU-QFIPXVFZSA-N 440.504 0.963 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831184912 IYNIXJDLUBFZKI-MBSDFSHPSA-N 449.548 0.056 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831219032 NGQSAPQSLRZKNG-NRFANRHFSA-N 429.429 0.784 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1831396623 HJVXUPCFFSMTOX-GAJHUEQPSA-N 443.475 0.735 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1831406768 DPRPFYWUIWDPQV-JOCHJYFZSA-N 432.521 0.848 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1831427017 RGPCCUVVEMTHKQ-LIRRHRJNSA-N 426.901 0.735 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c(Cl)c1 1831576720 NSHWCAFTZINBFF-JXFKEZNVSA-N 448.863 0.390 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)nc2s1 1832100954 IERQOKNPNAPOEU-NRFANRHFSA-N 443.529 0.512 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C)nc3)CCO2)C1 1832897154 HYDQQACRNCYQBQ-WMZHIEFXSA-N 429.517 0.817 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833086945 GWUJXYHNZXCRDQ-UKKLRFBMSA-N 432.525 0.120 30 20 ICED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CN1 1833122640 IZIAFHSPOAUWRK-WLXKGNRNSA-N 446.596 0.556 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833468092 MMAGSZWVDPHURP-JOCHJYFZSA-N 431.489 0.924 30 20 ICED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)C(=O)O 1834737928 JOOFMIAITOHSPS-NRFANRHFSA-N 440.544 0.672 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835212904 VOOGUHHQAAADCR-LIRRHRJNSA-N 431.555 0.628 30 20 ICED Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(C(F)F)n1 1835246477 YQXUUSICLYNJTD-UHFFFAOYSA-N 437.447 0.631 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835714050 QIDHABKRPLQCON-IBGZPJMESA-N 446.548 0.844 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836108824 BHWFSAFYIFVQGA-JXFKEZNVSA-N 434.518 0.063 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)C1 1836776192 MXIYYRAZZQIYRY-QFIPXVFZSA-N 443.504 0.053 30 20 ICED COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441142 UPCGDZLUYBTJJN-DHNIJCFSSA-N 445.520 0.632 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837441300 ZQHJRYDBSAPOAT-SGCYSOCQSA-N 429.521 0.932 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462860 SUODEMHCLHJNLT-OAQYLSRUSA-N 438.594 0.695 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559761 GWLMZCRZCJNXRP-FFCJBUTOSA-N 434.493 0.070 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(CC)n1)CCO2 1838146668 YJCCZDFTAPPURL-DYRFGFBLSA-N 445.520 0.140 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c(C#N)c1 1839131955 KEAZTWZQUORGQS-AOMKIAJQSA-N 430.505 0.161 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839196149 WWCJSXJABJLMLT-JTSKRJEESA-N 431.489 0.393 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1839225157 ZEEUALUIMFDBBU-QVKFZJNVSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839225443 JURMTRIEYJINQD-KKSFZXQISA-N 444.492 0.600 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)c1 1839226796 DJBXIJMPRIMZPO-IIBYNOLFSA-N 434.493 0.961 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549760 PXBUBBBSCLVYHR-JTSKRJEESA-N 428.489 0.995 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)C2)C1 1839810265 OFFFHQBIKZSEPC-BMOUEYTDSA-N 444.484 0.815 30 20 ICED COc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc(F)c1F 1840043680 OIZGMWVPXCMCSZ-FQEVSTJZSA-N 438.383 0.131 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813801 WVWLETFDSOOOHI-JOCHJYFZSA-N 442.472 0.632 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1841604137 AJQFKUAYHAZUTO-GOSISDBHSA-N 448.564 0.781 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c(O)n1 1842873471 CHMHCPSVUKAQRE-UHFFFAOYSA-N 438.421 0.448 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 10808594 IDMAFJFFEYWNEF-UHFFFAOYSA-N 447.517 0.844 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Br)CC2)CC1 301867993 IIPLDHHCWMVETI-UHFFFAOYSA-N 428.356 0.935 30 20 ICED CO[C@@H](C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cs1 409513248 XHMXWYGQELPYAL-GOEBONIOSA-N 429.568 0.827 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 409537484 SNSQMEPCGPKUDK-ZDUSSCGKSA-N 445.523 0.457 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cc1 428228265 KWJTWTOLJNYUOB-UHFFFAOYSA-N 434.499 0.851 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CCC2)c1=O 431014677 KOZSVPDVWFQJDZ-UHFFFAOYSA-N 441.557 0.993 30 20 ICED Cn1cc(S(=O)(=O)NCCN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 438686960 DXKPLFHODYXXOL-UHFFFAOYSA-N 431.478 0.640 30 20 ICED CCc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CCO2)o1 448418543 VPURYHJMMQEJBY-OAHLLOKOSA-N 439.407 1.367 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 448447540 NXUTYWCEJMRNCQ-SMDDNHRTSA-N 432.424 0.895 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2c(C)cc(C)cc2C)C1=O 467683064 VJUOGXVEDQXVQQ-QRVBRYPASA-N 449.573 0.981 30 20 ICED COc1ccc(C(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1[N+](=O)[O-] 471677550 QEXRCXLCBMIPQB-UHFFFAOYSA-N 441.448 0.596 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)c1C#N 472852058 DIKSRGVNWPOCAW-UHFFFAOYSA-N 439.501 0.932 30 20 ICED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474582228 FCMJILQIQULPJL-SGTLLEGYSA-N 447.469 0.970 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 476750291 VRCPEDDTXCWVDY-OAHLLOKOSA-N 441.513 0.673 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 477625072 IHUAZSQYRXALQH-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CC1 479377206 NDWMWCAWQGGALM-UHFFFAOYSA-N 428.514 0.694 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 479919204 YVKSISKGSULFNP-ZDUSSCGKSA-N 444.469 0.767 30 20 ICED N#Cc1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc2c(c1C#N)CCCCCC2 479936999 CNHIQPAHKYIAIZ-UHFFFAOYSA-N 436.516 0.991 30 20 ICED N#Cc1c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2c(c1C#N)CCCCCC2 480087719 IJVXUVKFACBHLQ-UXHICEINSA-N 429.546 0.764 30 20 ICED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482662337 VBAQPKAHISORIK-UHFFFAOYSA-N 449.577 0.495 30 20 ICED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)c(F)c3)CC2)cn1 489602164 HXASHRBDPCSGRP-UHFFFAOYSA-N 427.483 0.562 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 499993942 DAMBGGFDDUGBSW-IBGZPJMESA-N 434.562 0.935 30 20 ICED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 509380516 OSFFKNWKFQLUJB-CABCVRRESA-N 437.474 0.364 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2=O)cc1 517198316 WNNASVIBCQXPHD-FQEVSTJZSA-N 439.516 0.099 30 20 ICED CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(I)c(C)c(C#N)c2=O)C1 520896643 SNOFXXNWKUPKBC-LBPRGKRZSA-N 442.257 0.760 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)c2ccccc2OCC(=O)N(C)C)C1=O 523380726 UKWYXBDENTVEOS-OAHLLOKOSA-N 430.461 0.698 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C[C@H](C)C(=O)OC)cc2)CC1 544751417 BXWJPTCIUGPRIR-INIZCTEOSA-N 430.505 0.423 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(O)CN4CCC3CC4)CC2)cc1 552207548 SWTFLOKJXVYEAS-OAQYLSRUSA-N 432.546 0.532 30 20 ICED C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 575155696 WFYJKNXNWFAFCY-RHSMWYFYSA-N 427.505 0.931 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2)n1 588861942 ZNIXOLIRINRSRK-LJQANCHMSA-N 447.499 0.304 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H](C)c1ccccc1 604003746 CVNYXTXHASQGHW-OAHLLOKOSA-N 437.525 0.518 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccnn2Cc2cccs2)C1=O 726044025 ZDVLUCJZYWBHIT-UHFFFAOYSA-N 431.430 0.451 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3cnn(CC)c3)c2=O)cn1 732563370 WDQQJVXHCLYURW-UHFFFAOYSA-N 437.529 0.457 30 20 ICED N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C(=O)N1CCS(=O)(=O)CC1 732910019 JHVCCIZUUSOSCS-LLVKDONJSA-N 437.371 0.940 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 737276821 XOFXJFKVUNDMFE-UHFFFAOYSA-N 436.472 0.282 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 742060172 SDBCSLXOEWFICQ-UHFFFAOYSA-N 430.530 0.836 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F 744121369 BFWFHOOFGNPQJK-UHFFFAOYSA-N 441.488 0.346 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746572380 NQLUKSRPEZUNRU-AWEZNQCLSA-N 431.470 0.691 30 20 ICED CC(C)C[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C 749627147 XOTDEFRSNYDLFV-LBPRGKRZSA-N 431.515 0.288 30 20 ICED COCCn1nc(C)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C 755550482 WALJWYRDENHLKN-HUUCEWRRSA-N 434.497 0.960 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc2n(C)c1=O 755846198 IMSPYOYAXKOPTH-RISCZKNCSA-N 443.464 0.513 30 20 ICED C#CCNS(=O)(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 761032232 GQTKBNBDWSNVSY-UHFFFAOYSA-N 438.510 0.515 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(=O)N(C)C)c2=O)n1 763311272 AHWFDLJZPXVYQN-CQSZACIVSA-N 442.541 0.910 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 763460222 FJIZPKGIEHWKQR-UHFFFAOYSA-N 435.509 0.364 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2cc[nH]n2)cc1 780879839 SAVQAYKHQYDLSK-LFVJCYFKSA-N 433.494 0.774 30 20 ICED C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)c1 781103842 CHGKSHYUCJFENF-GOSISDBHSA-N 439.541 0.700 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CCOC 782600684 KMFZIPOTPZXHSX-UHFFFAOYSA-N 427.935 0.537 30 20 ICED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 791186210 KZUAOYWNJQBOBO-UHFFFAOYSA-N 432.488 0.993 30 20 ICED COC(=O)c1cccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1OC(C)C 799255755 UGDAIHYPWKGFDB-VLGSPTGOSA-N 444.444 0.842 30 20 ICED C#CCN=c1nc(N2CCOC3(CCOCC3)C2)[nH]c(N2CCOC3(CCOCC3)C2)n1 804562051 HINIBFPRPCJZSF-UHFFFAOYSA-N 444.536 0.110 30 20 ICED CCn1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 807372625 KTYYQZUCYWYMJM-HAVVHWLPSA-N 432.506 0.971 30 20 ICED Cn1nnc2c1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 810530676 CELIYTDXDQTRPD-WDEREUQCSA-N 426.389 0.947 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 914994914 RIIPRKRIZKFBJL-HUUCEWRRSA-N 426.477 0.806 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1C 915386013 APOWJKRHFOLRJT-UHFFFAOYSA-N 425.532 0.936 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cc1 915783506 ZYCXYHJRDBTOAC-UHFFFAOYSA-N 444.513 0.864 30 20 ICED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916893786 HXJWQWCPQNSKMS-KRWDZBQOSA-N 432.502 0.578 30 20 ICED COC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1117350381 YPVZPBCIINXPKW-DLBZAZTESA-N 434.518 0.322 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1182390850 QMWWFBXUBOSOPY-UHFFFAOYSA-N 425.489 0.251 30 20 ICED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N(CCC#N)CC2CC2)CC1 1286891623 LOILYCMJTAJVSM-UHFFFAOYSA-N 425.541 0.973 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1288816250 LBTBOSJGBVIGHM-KBPBESRZSA-N 444.583 0.453 30 20 ICED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1441627983 WHKWGNRIRMZLSB-CYBMUJFWSA-N 428.424 0.131 30 20 ICED CNS(=O)(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1473267185 NNZOUFRZKXIDLY-UHFFFAOYSA-N 434.543 0.973 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1478418173 NRPVNZPOHLYJMT-UHFFFAOYSA-N 431.522 0.592 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1509682897 FDZJQTVQYSDDDT-KRWDZBQOSA-N 428.541 0.652 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1554152054 XZBIGYIHBBVNDD-UHFFFAOYSA-N 437.504 0.767 30 20 ICED CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615901986 NHMQGJIIWQXWNX-KRWDZBQOSA-N 442.568 0.853 30 20 ICED CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)C1CC1 1620163601 DWJJPHHDFXIIKB-HXUWFJFHSA-N 431.518 0.982 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1627090920 LTBAZCLKNSAEAT-KSSFIOAISA-N 433.534 0.036 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1710347988 VOOLVOGRFOMCFF-KRWDZBQOSA-N 441.521 0.626 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1730762893 NUOCGGGSWRRWIO-DLBZAZTESA-N 440.570 0.267 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)O)CC2)c1C#N 1762400066 KSOWBGHCWIXQPM-OAHLLOKOSA-N 427.513 0.240 30 20 ICED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1770676755 NZRHSAVSHPEOIP-UHFFFAOYSA-N 449.519 0.873 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778120849 DATSXYZKICYXSI-KSFYIVLOSA-N 435.521 0.722 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553158 PETODXHOBXMAFH-MHRHTVJOSA-N 427.461 0.821 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779342892 AUAPMWYSSJODJY-OPAMFIHVSA-N 432.521 0.942 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c(F)c3)C2)C1 1780147850 SYQZSVXATCIHAP-QFIPXVFZSA-N 429.448 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1780911816 JSAFXWKVPUFUNK-LERMDLETSA-N 445.491 0.871 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295982 SASFZOWLPPHURD-HXUWFJFHSA-N 437.493 0.504 30 20 ICED COc1cc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccn1 1782011088 LPUFBVIYXDIRCG-VGOFRKELSA-N 429.473 0.625 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1782670594 KCKUFWOMEUZZHU-KSFYIVLOSA-N 425.489 0.724 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Br)ncc1F)CCO2 1783561606 BSQGPOQLAIIFEK-QGZVFWFLSA-N 440.225 0.515 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644602 HWMIPHKAFPEINQ-IMRHEYAYSA-N 449.548 0.990 30 20 ICED COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783679446 JFFPSPFBHYIBEH-OAQYLSRUSA-N 441.525 0.062 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784116956 WXWBGMNPTDRHQB-OAQYLSRUSA-N 426.404 0.066 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786844193 XWCYGAJEKPESTB-NXOAAHMSSA-N 437.541 0.512 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601357 ZRDGJMNTNAYBQE-OWROOQFPSA-N 430.553 0.971 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788701076 KAZNOHYOXNBXKF-WSRJKRBPSA-N 445.520 0.166 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1ccncc1)C2 1792484176 GCWLDAFEEVVZCZ-OUBXJXCTSA-N 426.517 0.852 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3c1C)C2 1792489412 VMYNWPPABSBMLG-TXFQXBMRSA-N 437.500 0.704 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1792529717 RATPMRUVVIMUFW-IIZPIQPGSA-N 426.517 0.995 30 20 ICED CC(C)(C)OC(=O)NCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793220214 UYKFBZBACGTTRK-RMFSNUHRSA-N 449.548 0.921 30 20 ICED O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1793959432 ORKVEHMUNTWIEE-JHDGKUDLSA-N 432.480 0.453 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794037449 QBNFPVRXKLGVMT-GGXPGOJBSA-N 433.509 0.525 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797062416 HQPFWVGMRYQECB-PNBKFKSVSA-N 446.529 0.859 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1797691415 VIIXWCZTWJFNLJ-XUMLPFHTSA-N 427.505 0.398 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1798394934 MBQXWFRQQVEIJQ-YYIAUSFCSA-N 427.567 0.623 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798861781 RZEJMQBIDSVDGJ-IYWMVGAKSA-N 443.456 0.256 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2)c1ccc(O)cc1 1801054242 UKQJWWMMUQOWPK-UGNRZPKXSA-N 427.501 0.567 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cnnn2)c1 1801436846 CMJGNTCKMFBSRE-PTOXDTDZSA-N 425.449 0.018 30 20 ICED 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(C)(C)O)C2 1802125128 QIAYZODEFRYBBT-KYHPRHEASA-N 437.537 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802477515 OVNTVTPKAZJASG-NLYBUUEHSA-N 439.516 0.472 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803597258 BBLSXXUHKHHXSB-OIISXLGYSA-N 444.494 0.767 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806634538 XZLVFXUESWTCEA-ZIFCJYIRSA-N 426.521 0.648 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1810358759 VGTBNYPBKPZPQU-ZJWSGYRYSA-N 441.492 0.908 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1823521246 NMSRBKNORYOJIP-DZKIICNBSA-N 447.540 0.604 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827586464 LNBLCYDBQJIMHP-OTWHNJEPSA-N 449.596 0.809 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C)CCO2 1829642240 BTQZYWRJVVYVIN-HOIFWPIMSA-N 435.521 0.864 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)ccc1F 1830585799 GSUAGZMFDPUBBQ-QRFVXNFXSA-N 431.464 0.467 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(C)cc3)C2)C1 1831390935 AILQOSHGNVBMAM-WMZHIEFXSA-N 430.501 0.869 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831983787 FRWQSZPBKRVAHX-SFHVURJKSA-N 443.548 0.813 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833900827 CJRIHCIROWCMTG-MGPUTAFESA-N 437.497 0.612 30 20 ICED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1834130810 HWJFYAQEQBPFRI-IIBYNOLFSA-N 434.493 0.961 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834605069 AKLUYPOVEJLGFW-FFCJBUTOSA-N 429.429 0.422 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1835212902 VOOGUHHQAAADCR-IFXJQAMLSA-N 431.555 0.628 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441012 NWSKEHVELKSVMY-UYAOXDASSA-N 429.583 0.120 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835707988 BFLYZGKGIAPYAQ-HFJQGTKSSA-N 427.501 0.690 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836317767 ADXRFWCPRBGSFB-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1837310867 ZFIZKLMSQAOCRS-DXIQSLLYSA-N 437.537 0.362 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1837392375 DSNUUTZMSFTVBJ-GCJKJVERSA-N 434.537 0.529 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1837396377 BPERJUNCTVMEAC-JTSKRJEESA-N 449.504 0.039 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)C(=O)O 1837495810 BVTUGYYLEMEYJL-GBKYUFMXSA-N 434.489 0.172 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837529193 PYQVFYRZUWHKEF-XILVHTRDSA-N 433.465 0.076 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccccc1=O 1837684928 XXYKULZLWVVGTR-NLFFAJNJSA-N 449.507 0.917 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(CC)n1)CCO2 1838139165 PUXUJPVMXICXFV-OAQYLSRUSA-N 435.477 0.816 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838550335 WXLHRDMJWKVJOR-HSZRJFAPSA-N 430.501 0.931 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)cc1 1838952930 KOLVLFZOUVCBGC-JOCHJYFZSA-N 437.456 0.497 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224627 WCIWHUFMHOJKDO-ZSUOFZKHSA-N 425.482 0.363 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)cc1 1839362215 DYRYSMOSHOUJIC-URXFXBBRSA-N 449.511 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419535 GXOKMMZQIVCINR-OPAMFIHVSA-N 429.448 0.806 30 20 ICED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2)C(=O)O 1839422514 YHRRLVGLTMVIAQ-IWRDUPADSA-N 431.420 0.798 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453510 ONKITZARTIOYCD-QPLBDWIMSA-N 440.500 0.977 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669438 BAIKEKBLBZGTJE-VGSWGCGISA-N 446.504 0.786 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037128 SOAZEDUJULHTRJ-RTFZILSDSA-N 438.484 0.657 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1840042034 WVELEZWZPJDCPC-HXUWFJFHSA-N 446.847 0.146 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(OC)c1C 1840044912 GUQYIXYUSLXGDH-JOCHJYFZSA-N 446.456 0.170 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1840171171 SJQXMHRPXIEUTE-XMMPIXPASA-N 441.528 0.985 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840177396 YPINUWYKQMNMCI-FGZHOGPDSA-N 438.521 0.827 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840293964 FIBCNSWYXCNJIH-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840361489 YHNVKMKYAAQHAZ-MBSDFSHPSA-N 446.548 0.954 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840855354 FTICYVYOABYKTE-QFBILLFUSA-N 431.480 0.959 30 20 ICED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(C)C(=O)C(=O)O)C2)c(O)n1 1845809158 YJVUDTKMZGEIBR-UHFFFAOYSA-N 430.461 0.266 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1847838931 XGNAFCYAUCFJBR-RZLSGREXSA-N 442.582 0.911 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2cccc(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O 410117462 SQEAEHSXAKBIRL-OALUTQOASA-N 439.516 0.799 30 20 ICED CC[C@H](CCNS(=O)(=O)c1cccnc1C#N)NS(=O)(=O)c1cccnc1C#N 428241769 KYANISCZMRMGTO-CYBMUJFWSA-N 434.503 0.645 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 430406515 GYIYIMISMFKVKU-QAPCUYQASA-N 445.545 0.498 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 437529526 YCPRHOQQLSVCTF-SZMVWBNQSA-N 444.575 0.866 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 437998426 HGNXPSRQOWETPL-CJNGLKHVSA-N 426.495 0.376 30 20 ICED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(CCC#N)CCCN(C)C)c1 438761157 ZZEDAUIPXHGXKR-UHFFFAOYSA-N 425.493 0.912 30 20 ICED CCN(CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460700246 IYKDXFYDQHWGCL-GOSISDBHSA-N 439.520 1.345 30 20 ICED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)cc3c2OCC3)c1=O 462446937 SYSJBVUUAQDZQL-UHFFFAOYSA-N 446.326 0.926 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 465225135 QJLPKNTURRXBFI-GOSISDBHSA-N 448.531 0.917 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1=O 467675573 ZWNDODXSDYEEHS-NEWSRXKRSA-N 435.546 0.673 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)n1 471393610 VYCQABCDFOZNOR-RTBURBONSA-N 431.562 0.809 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 478836188 BOHBRAZCGDQXEG-UHFFFAOYSA-N 438.513 0.849 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(C)(C#N)C3)CC2)cc1 482621043 RNPOJQNTMQLDCX-UHFFFAOYSA-N 434.518 0.680 30 20 ICED Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 485997580 AQPBPPGFGBQIGW-KRWDZBQOSA-N 446.467 0.343 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(Cc3ccon3)c2=O)o1 489012689 HEVFOWQCQPWWGI-CYBMUJFWSA-N 441.465 0.794 30 20 ICED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)CC1 491469460 CKMYGXJLSWNIRM-LJQANCHMSA-N 436.520 0.375 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 493910464 FLNVAQJRGSASLH-MRXNPFEDSA-N 428.518 0.981 30 20 ICED CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514033459 UTVPHSVMFGGSLD-MWTRTKDXSA-N 438.532 0.984 30 20 ICED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 521839040 LFZDOZXREGRNAK-UHFFFAOYSA-N 427.504 0.688 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(C(N)=O)cc1 522536789 IBYYZJRYJKVPAV-UHFFFAOYSA-N 434.477 0.705 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C 531699874 PNACPUUQALPYJL-HNNXBMFYSA-N 438.550 0.957 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 531939690 MADIHBFTHXIQNF-ODXCJYRJSA-N 441.469 0.918 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 545367964 HOGXZUYYLGCKHV-UHFFFAOYSA-N 427.482 0.861 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1nccn1Cc1ccccc1 555911688 CYDKQWKRCVMBQC-UHFFFAOYSA-N 434.504 0.858 30 20 ICED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 555921903 SCBKPEVLZVUWLE-CYBMUJFWSA-N 428.424 0.941 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCCN3CCOCC3)C2=O)cc1 556167613 OJFQRFSFJIOSLN-LJQANCHMSA-N 427.505 0.004 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 558990716 FDUWNTZCFVBGNS-AWEZNQCLSA-N 436.542 0.590 30 20 ICED C[C@@]1(c2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)NC(=O)NC1=O 565277732 VBRPUJXPJHWOKU-IBGZPJMESA-N 427.442 0.530 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc3ccccc3)CC2)c1C#N 567773363 NXTUYHCHMDGAEC-KRWDZBQOSA-N 437.548 0.886 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCN(C)CC1 568303667 CZILFJFMSNSCPT-HKUYNNGSSA-N 444.555 0.782 30 20 ICED CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 575098993 BUTQXWKAAWEPBG-KRWDZBQOSA-N 436.520 0.704 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 581638265 LGTBWDJCJUKUDL-HNNXBMFYSA-N 426.454 0.680 30 20 ICED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654099 MQJBVHFIALCUMF-UHFFFAOYSA-N 442.564 0.855 30 20 ICED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589461528 AUQRMIUGHIBAPD-IBGZPJMESA-N 444.513 0.327 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnc4ccccn34)CC2)cc1 603747450 FRNUIJQUMLNGLW-UHFFFAOYSA-N 425.474 0.817 30 20 ICED COCCN(CCC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 610391882 ZTFPTBIKLCYXAZ-UHFFFAOYSA-N 440.522 0.517 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc2cccnc12 681663674 YPDFCDOIIMKIOV-MRXNPFEDSA-N 448.504 0.360 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221287 KUWIOZXRBVPANR-MRXNPFEDSA-N 439.270 0.490 30 20 ICED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 731154374 JDJZKAOOVJVOAS-UHFFFAOYSA-N 432.510 0.498 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)o1 732342797 UTFUGCPBTDFHSF-UHFFFAOYSA-N 442.461 0.531 30 20 ICED C[S@](=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 741295839 IJVIPONCOSAJKB-MHZLTWQESA-N 426.564 0.028 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCC[C@@H]3S(C)(=O)=O)nc2)CC1 741457026 RCUXFPOVZAUMET-INIZCTEOSA-N 429.568 0.773 30 20 ICED COC(=O)C1=C(C(=O)c2ccc(N3CCOCC3)cc2)[C@@H](c2cn(C)nn2)NC(=S)N1 741653499 WZQSRKYLRYJGHT-MRXNPFEDSA-N 442.501 0.481 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(Cc3nnc(S)n3CC=C)cs2)C1=O 748560695 ZUDYSSVOKLHHOO-UHFFFAOYSA-N 447.502 0.715 30 20 ICED C#CCOCCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 753239569 CSRFTYIGSQEEHS-UHFFFAOYSA-N 449.298 0.989 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)oc3ccccc23)c1=O 758080004 ZHCGHWDMXASHRS-UHFFFAOYSA-N 433.489 0.960 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 758751159 IUKZHWNXWPCOQD-HOTGVXAUSA-N 448.524 0.222 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1 770806047 URBQPBAGHLNWSA-JCMHNJIXSA-N 431.478 0.072 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 782130837 LVXBSOODPFHAMM-LJQANCHMSA-N 435.440 0.222 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 783350237 HISZTPNXXGYVMQ-UHFFFAOYSA-N 431.396 0.942 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1(C#N)CCC1 784191488 NWVYERDATYXLMQ-UHFFFAOYSA-N 437.474 0.435 30 20 ICED COc1ccc(NC(=O)COC(=O)c2c[nH]c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 786904201 DBPIDRFFFGCAPQ-UHFFFAOYSA-N 448.457 0.711 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n1 789788946 XFQZORHXVYZXAB-UHFFFAOYSA-N 425.445 0.485 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CC1 795841938 FQKPZWDEMFELSH-UHFFFAOYSA-N 425.482 0.448 30 20 ICED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nc1 796716208 XGQXEHRNYSAESX-OAHLLOKOSA-N 436.490 0.937 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 799839756 FBWOBIFEHRKJRT-UHFFFAOYSA-N 428.833 0.232 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(F)c1 802562493 OZVOIWAGQVMRJY-LLVKDONJSA-N 428.438 0.897 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnc(S(C)(=O)=O)s1 803397821 AYFSVVGXURDSKL-VIFPVBQESA-N 430.489 0.223 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2=O)cc1 808237332 LHGIPOLFIDYIIJ-MSOLQXFVSA-N 426.473 0.529 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(=O)N(C)C 918730022 NMRURCDAHSZXEF-UHFFFAOYSA-N 442.566 0.525 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1CCS(=O)(=O)CC1 919136434 DTRUNAJXZSQDAA-UHFFFAOYSA-N 440.522 0.225 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288872833 ZYDWJJKFJRUCDT-NWDGAFQWSA-N 439.464 0.111 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1298881889 MPAMFBKMCJWVAV-FQEVSTJZSA-N 448.549 0.276 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1300850131 WREHROSZBLEKBL-NSHDSACASA-N 439.357 0.324 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1315633189 XLCZSDZLQVVSEF-KRWDZBQOSA-N 448.549 0.934 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCSC1 1541922424 ITIXXBAXNDZQQF-DYVFJYSZSA-N 428.584 0.886 30 20 ICED COc1ccc(NC(=O)Cn2cnc(C#N)cc2=O)cc1S(=O)(=O)N1CCCCC1 1559430910 LMZVMRCTRIKYKU-UHFFFAOYSA-N 431.474 0.937 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619912799 MLDVXDXDMARUGO-YJBOKZPZSA-N 427.527 0.436 30 20 ICED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1cccc(Br)c1C#N 1630049882 OPFKTDPGUGCALE-LLVKDONJSA-N 444.307 0.461 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1630966685 SFFIYBGCYOXAJL-IBGZPJMESA-N 425.507 0.461 30 20 ICED COc1ncc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N 1674317737 MOJBDBRRWHAXSU-KBPBESRZSA-N 438.510 0.465 30 20 ICED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CCO1 1698492675 JBTFOIZDYWZWBW-KRWDZBQOSA-N 430.440 0.584 30 20 ICED CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1706632465 YEQKEXBBKIKXMW-CQSZACIVSA-N 425.559 0.933 30 20 ICED CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1723566230 RZKAWCPKYOZNMP-CQSZACIVSA-N 443.599 0.533 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1751095113 UIUWEZYBJXTTSZ-GOEBONIOSA-N 431.522 0.946 30 20 ICED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N(C)C 1751143618 INCNFUYUFCCUPT-HOTGVXAUSA-N 439.586 0.691 30 20 ICED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1767382962 IUAXCZLOHJXSSB-UHFFFAOYSA-N 433.463 0.966 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1779105401 UOFLEBVVXSJCIC-CDBSISPISA-N 439.900 0.895 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779134248 CQSWMBDKGKBITH-QUFQGFDCSA-N 449.357 0.884 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1779329827 DCFCSPXTTMYCDI-DRSNIGMVSA-N 434.537 0.682 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779547586 DGJWQAMVPMYYEE-INIZCTEOSA-N 442.257 0.871 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(C#N)c1 1780248340 CAPOTFDSTBWTOG-JOCHJYFZSA-N 437.456 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1780738409 BENKPQASWSTVHU-QVKFZJNVSA-N 448.524 0.343 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782009114 APVARIYQVUNVAO-DYESRHJHSA-N 448.497 0.306 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782015878 YSGFIVRFISWNOU-QVKFZJNVSA-N 449.504 0.646 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782677454 SXFBAKQKUYOVLY-JOCHJYFZSA-N 444.488 0.090 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)cc1 1783443748 FBBVVYYLJCSSQD-ANULTFPQSA-N 438.528 0.997 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Br)ncc1F)CCO2 1783561605 BSQGPOQLAIIFEK-KRWDZBQOSA-N 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1839225310 FGOFCOGVWBFZNZ-IIBYNOLFSA-N 444.492 0.600 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839354985 FBTBDIKABQPNNR-YCRPNKLZSA-N 449.435 0.842 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652228 SUFNWPCGCGRDCI-HRAATJIYSA-N 449.508 0.372 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840174757 VWXPXXKMCKVEHQ-HRAATJIYSA-N 441.525 0.295 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840401464 RPBDISNHQCXDGD-WTVRISBWSA-N 445.520 0.067 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)c1 1844795346 ZSRLOMUPWYGVAX-UHFFFAOYSA-N 447.499 0.738 30 20 ICED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 57937558 BHSBUQIBFGKAPC-UHFFFAOYSA-N 449.577 0.854 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)C2)nc1 428776926 CRNIQZBZFIEARC-CEXWTWQISA-N 448.545 0.601 30 20 ICED Cc1ccc(NC(=O)Cn2c(C)nc(C#N)c2C#N)cc1S(=O)(=O)N1CCOCC1 428926385 BVNQTRUGOXVLOF-UHFFFAOYSA-N 428.474 0.903 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1CCS(=O)(=O)C1 436910332 PTAKHMLRNZWFDF-CQSZACIVSA-N 428.532 0.992 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 437715346 FRHGBQHZPIJYSI-WBVHZDCISA-N 430.505 0.931 30 20 ICED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441627206 SUMUWVQJGOEOJB-UHFFFAOYSA-N 439.520 0.953 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441941434 JUAVAMXAWAFITQ-HNNXBMFYSA-N 433.555 0.664 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 443075723 JKVOCSBDDHXBIN-GFCCVEGCSA-N 432.480 0.233 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c(O)nc1=O 464852368 CDXHGVVFZGIIPJ-CYBMUJFWSA-N 426.481 0.242 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CCC#N)CCN1CCOCC1 471233039 AYKUUSGQAYAVKM-MRXNPFEDSA-N 435.550 0.159 30 20 ICED N#Cc1ccc(N2CCC[C@@H](N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2=O)cc1 485717104 OAYDTEYOXNYTEA-LJQANCHMSA-N 425.489 0.057 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCc2cccnc2)c1=O 488974488 BBFZCRXLPGSOSZ-INIZCTEOSA-N 435.509 0.390 30 20 ICED COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(Cc3ccon3)c2=O)o1 489012693 HEVFOWQCQPWWGI-ZDUSSCGKSA-N 441.465 0.794 30 20 ICED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 494411020 HTIQBGDYTPWWCX-MSOLQXFVSA-N 438.488 0.915 30 20 ICED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 499680358 VDFMLRGRWFKNJO-KZULUSFZSA-N 428.468 0.790 30 20 ICED Cc1cccc(C)c1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502006771 USKCDOCTMMOYHZ-UHFFFAOYSA-N 449.536 0.611 30 20 ICED COC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H](C(=O)OC)C1 504885946 SIKXWOBQOYJTCS-GOEBONIOSA-N 437.474 0.445 30 20 ICED N#Cc1ccc(N2CCC(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 504944817 WTLXGVNXNPHQMX-MRXNPFEDSA-N 436.509 0.723 30 20 ICED C=CCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508863955 MDAFZRBAAKZSJC-HNNXBMFYSA-N 426.477 0.589 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 509194754 HFECFCQOZFIRBP-HNNXBMFYSA-N 430.552 0.870 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1 525162092 KJFZCCYZSSCOOV-UHFFFAOYSA-N 430.461 0.847 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3N3CCOCC3)n2)cc1 532431071 DBXQGUZTRDNKSQ-RTBURBONSA-N 437.504 0.896 30 20 ICED COC(=O)CCCc1nc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 532642418 AMYDQCVZJJHRSK-UHFFFAOYSA-N 433.490 0.943 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 537740643 DUXSRPMIFKJBJA-UHFFFAOYSA-N 446.485 0.502 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H](C)O)cc1 540928025 YVLXCAFTORSCSD-DYVFJYSZSA-N 434.522 0.291 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)c(=O)n2C 541109248 XLOSXVZVPRMLNO-UHFFFAOYSA-N 438.835 0.783 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccn3)c2N)CC1 549051467 OWBWWOKJLFGUND-UHFFFAOYSA-N 437.485 0.868 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)c(F)c1 549581961 DYSCIDBMHVAVBI-UHFFFAOYSA-N 443.456 0.905 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 559314634 TWWCIQPQLHCKTH-LJQANCHMSA-N 428.514 0.854 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(CN3CCOCC3)c2)c1 571128338 UNTIFFGXCCWLRO-UHFFFAOYSA-N 428.514 0.985 30 20 ICED CO[C@@H]1COC[C@H]1n1cc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)nn1 574680104 SDTFYTLPOBHWQL-IAGOWNOFSA-N 426.412 1.383 30 20 ICED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576392408 JTVLGEZOVFGXIX-JYRCXFKTSA-N 435.531 0.385 30 20 ICED N#Cc1cc([N+](=O)[O-])c(NCC(=O)N2CCOCC2)cc1NCC(=O)N1CCOCC1 588012590 HHYCBPMODBYKOS-UHFFFAOYSA-N 432.437 0.008 30 20 ICED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 588214512 HSMFOGIZNZBQNY-OAHLLOKOSA-N 443.460 0.719 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc1 593381081 WDDAXHVGEAVIQN-UHFFFAOYSA-N 433.534 0.893 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nnc3ccccn23)CC1 603747557 QHKMFCFXMARUMD-UHFFFAOYSA-N 425.474 0.817 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccn3)c2=O)cc1 603792430 KRVJFOTUEWIVAE-UHFFFAOYSA-N 432.505 0.964 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(OC)nc1 608884257 WKLCKFTVLCHUML-UHFFFAOYSA-N 442.522 0.630 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCO2 609765207 LFYSPYPMDSJQFS-UHFFFAOYSA-N 437.481 0.390 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)COc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 611561747 GWOQPDZQDFWUNG-GOSISDBHSA-N 428.470 0.896 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611600271 URYFYBVRCUHRGT-UHFFFAOYSA-N 435.485 0.582 30 20 ICED Cn1cc(/C=C\C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(=O)n(C)c1=O 726995461 VCLDMAONOLMSHO-HJWRWDBZSA-N 434.412 0.336 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O 729672962 AMWFSOQMTCQPQS-UHFFFAOYSA-N 431.539 0.068 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1 731130677 UMLHDVDQNODESJ-UHFFFAOYSA-N 448.526 0.935 30 20 ICED CCc1nc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 731852762 GIGLWTYZNJOSMN-UHFFFAOYSA-N 432.506 0.405 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1F)[C@@H](C)O 744852276 VXJMDVBSSXMKCU-BFVZDQMLSA-N 429.832 0.902 30 20 ICED N#Cc1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cccc1S(N)(=O)=O 755001589 LUGSJVWJDAFACR-UHFFFAOYSA-N 429.506 0.159 30 20 ICED CN(CCCNC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(C)(=O)=O 762649909 RTAXAVJZFCTQOU-UHFFFAOYSA-N 441.510 0.943 30 20 ICED CS(=O)(=O)NC(=O)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 763448631 XQESELYCOYGKBA-UHFFFAOYSA-N 435.462 0.605 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCC)c2=O)cn1 772277287 ODPRHMSWUHOWQH-UHFFFAOYSA-N 426.546 0.284 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 772572843 GZRQRPDKYJUSSF-KDOFPFPSSA-N 431.518 0.931 30 20 ICED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 779315630 GTSQVRHUKSBTLT-UHFFFAOYSA-N 444.491 0.745 30 20 ICED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)s2)CCC1 784214430 XEAVUVKEFWZSIW-UHFFFAOYSA-N 436.309 0.895 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCC1 784234192 VMTVOUHEKAAILT-INIZCTEOSA-N 425.445 0.642 30 20 ICED CNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 784426531 TZNBZHUZVYDJPU-LTGZKZEYSA-N 445.567 0.950 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C 790424521 GGWPYFICAFZKPB-ZDUSSCGKSA-N 428.514 0.520 30 20 ICED CN(C[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1)S(C)(=O)=O 795652510 KGILMNXNIYQOCJ-OXJNMPFZSA-N 433.534 0.886 30 20 ICED C=CCN1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1=O 798588093 LBVXEXXGNYKNRV-CYBMUJFWSA-N 429.476 0.925 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)nc1 808568726 PRMWQESYTJMXNP-OAHLLOKOSA-N 428.399 0.681 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812254479 IYXJCIAMLGSGSX-OAQYLSRUSA-N 433.509 0.085 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 838161664 BWGGQFASYYOVNH-UHFFFAOYSA-N 430.486 0.740 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856703534 AMDPEIMKOLSRCG-XOBRGWDASA-N 447.517 0.767 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NCc1ccccc1 916886475 INJQGGJUBCILJI-QGZVFWFLSA-N 430.486 0.685 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1nc2n(c1=O)CCCC2 917343548 ZOEHVIPARSMVRV-UHFFFAOYSA-N 432.506 0.016 30 20 ICED COC(=O)COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 919637649 IFWBQXVYMKOXRX-UHFFFAOYSA-N 442.428 0.912 30 20 ICED N#Cc1sccc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1131129043 TVNHQGOHACGQDM-ZDUSSCGKSA-N 435.531 0.434 30 20 ICED CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1288402084 QBAHRLZURSUTAH-WMLDXEAASA-N 430.506 0.478 30 20 ICED CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1313960688 LGRQRUWXYKRYRR-HXUWFJFHSA-N 441.584 0.896 30 20 ICED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)CCOC1 1314086829 UNKURDOWQFYIHR-QAPCUYQASA-N 426.543 0.562 30 20 ICED CC1(C)NC(=O)N(CCCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1341269174 LMHUWJNLHYZOTK-MRXNPFEDSA-N 426.477 0.679 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1345216753 KENIPIDGGALBBN-CQSZACIVSA-N 439.538 0.441 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1517039453 UAYUUZLMJLFOSQ-CQSZACIVSA-N 438.460 0.821 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1608580142 XPBHQLBHYMJFBZ-INIZCTEOSA-N 430.557 0.755 30 20 ICED Cn1c(=O)[nH]c(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c(C#N)c1=O 1611971910 USEPCFQAMJDGQI-UHFFFAOYSA-N 448.277 0.435 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1612878287 RUCAVWQMCYWSEA-INIZCTEOSA-N 437.504 0.733 30 20 ICED N#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1655039857 SSKVIXVHFBZLSB-KRWDZBQOSA-N 448.545 0.916 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1698483895 LLIHLXBELMKCNV-OALUTQOASA-N 437.472 1.000 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1723956128 QQRZWNWPVLJTHE-CVEARBPZSA-N 439.586 0.882 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CCO1 1771537395 NOTHLAOCZYZKJW-NWDGAFQWSA-N 427.437 0.549 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778788143 UTLADDXHLMWSGM-WIYYLYMNSA-N 448.451 0.134 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779363870 MJJMKIUQJFQGSH-DDCMRGNDSA-N 431.541 0.654 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1781265094 JJBJCSOWLNKLKE-NRFANRHFSA-N 432.477 0.340 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1782009577 PSQNWOHSRDANNA-DNVFCKCGSA-N 439.468 0.782 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)CC1 1782198220 MIZYBLFJSLTHNL-OAQYLSRUSA-N 437.456 0.831 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1782646321 PPRRJQHGTZSMCA-OAQYLSRUSA-N 445.545 0.494 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1782671434 XDRHFTUKEDSILU-OYHNWAKOSA-N 436.472 0.543 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783136885 MOTITJGHKFHDDO-IERDGZPVSA-N 438.525 0.422 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1)C(=O)O 1783440992 ICCBQVFYAZPNGI-MUGJNUQGSA-N 442.516 0.533 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980963 MAAZUYUIUUJCSC-LJQANCHMSA-N 438.406 0.989 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 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C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487764 IXGDTOBXXOHQHB-ZDUIWUOISA-N 444.488 0.456 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)c3F)CCO2)C1 1840791987 OQHKULMYCCKDST-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816438 SNHGRVMUPYYXLJ-IXFSTUDKSA-N 445.516 0.892 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1843236128 KZFZRWXVCYBUTR-CYBMUJFWSA-N 432.444 0.570 30 20 ICED N#CCC(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905914 OEJFPYWMEWTFGC-UHFFFAOYSA-N 432.502 0.438 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](NC)C(=O)O 1847939578 IKZVMMLFTXVJPB-VGWMRTNUSA-N 438.525 0.720 30 20 ICED Cn1nc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC(F)F 429633927 HRZPIQMSRHRNKT-UHFFFAOYSA-N 440.432 1.432 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 441915948 AKASEGVGBBDBSP-CYBMUJFWSA-N 428.539 0.909 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 460671253 KSIDSOQGCFPEHM-CQSZACIVSA-N 431.522 0.319 30 20 ICED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)n2)c1=O 477007698 GDXPNKYGCMSMRR-UHFFFAOYSA-N 430.530 0.769 30 20 ICED CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 481217443 GHFHSFCGILNQJO-OAHLLOKOSA-N 439.475 0.843 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 481496854 UMVDKIWTGHEXCJ-RHSMWYFYSA-N 436.559 0.791 30 20 ICED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H](O)C(F)(F)F 494252708 AEBVLMXGHYOFSW-MRXNPFEDSA-N 448.467 0.636 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c1 498074041 CGWXLZKGVKHFOF-UHFFFAOYSA-N 445.501 0.915 30 20 ICED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 499585527 MYEGKLBFGCSKPI-UHFFFAOYSA-N 432.458 0.702 30 20 ICED COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1=O 501147426 RBZYFIOZBYZQLT-CYBMUJFWSA-N 430.280 0.763 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 502189937 ZEIKUNJZYLVWRM-UHFFFAOYSA-N 440.548 0.441 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 509694547 LGJFAVYJKJHULK-UHFFFAOYSA-N 429.506 0.843 30 20 ICED COc1ccc(NC(=O)CN2CCC(F)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 510945493 AFXCRVQWVJTBAR-UHFFFAOYSA-N 440.497 0.982 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCc2ccccn2)c1=O 512742110 GXHFORUSMTYXDW-UHFFFAOYSA-N 448.552 0.889 30 20 ICED CN(CC(=O)N1CCN(c2ncccc2C(N)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 523069966 WRMCEJYCQLZRNC-UHFFFAOYSA-N 442.501 0.021 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)n1 531909477 LGXOWZLPMSSIAL-UHFFFAOYSA-N 427.530 0.219 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 538273016 CNXAFGYVODTMBF-LEWJYISDSA-N 443.523 0.858 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n2)c(F)c1 541134663 ZFLAIRWCCXUTIO-KBPBESRZSA-N 431.449 0.857 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])s3)c(=O)n2CC)CC1 542010665 DRNLFRSBBVMODS-UHFFFAOYSA-N 447.542 0.567 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 542583464 HTMQUCACLBGMKD-UHFFFAOYSA-N 442.563 0.357 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC1 557429713 YLZGPLPSBPLJBH-UHFFFAOYSA-N 429.565 0.899 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)c(F)c1 561786848 YGRAOQOLASVNJM-ZDUSSCGKSA-N 441.385 0.973 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)n1 564783146 ZHNXZODSDQIQMA-UHFFFAOYSA-N 426.498 0.451 30 20 ICED CC(C)CS(=O)(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 570326151 LZEBPMULEYVMRJ-UHFFFAOYSA-N 442.563 0.403 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)C2=O)cc1 578276658 XWEOOMVOPWVADN-PMACEKPBSA-N 439.516 0.099 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 587658443 ABMBOSYKNLPMNK-CALCHBBNSA-N 428.537 0.654 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)C3)C2=O)cc1 588868413 LZNVOZNMACNHNZ-GOSISDBHSA-N 426.473 0.183 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(=O)N(C)C)cc1C 673500655 DECZSMUDDWICQD-UHFFFAOYSA-N 449.536 0.734 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 731621320 ACUXRQIVJQLQJD-LBPRGKRZSA-N 436.314 0.585 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N[C@](C)(C#N)C(C)C 731811401 TXJAKHCLSGSYLU-GOSISDBHSA-N 432.462 0.408 30 20 ICED COc1ccc(CN(CCO)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 732306324 YHGMVKWPGJJNCF-UHFFFAOYSA-N 433.486 0.763 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(C)C 732795312 BCTVAJIWBZXKEQ-HNNXBMFYSA-N 431.562 0.997 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCC[C@@H]2S(C)(=O)=O)CC1 741459634 DOKUHNHSZXSUGN-HNNXBMFYSA-N 429.568 0.773 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 743765931 PGFRIEVXYFFJLZ-JOCHJYFZSA-N 427.526 0.965 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c1 743943282 ZMKWAUWZBRFFNB-QIDKZVQTSA-N 445.545 0.911 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 747245575 CBYLBNSAQNZSMY-HZHRSRAPSA-N 438.510 0.986 30 20 ICED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 750970752 YXLGNCDVMAMXHC-NRFANRHFSA-N 430.428 0.617 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 755551595 MKZORDMLWPOYAI-OCCSQVGLSA-N 426.437 0.476 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758041331 SUGMUALOTJKCSZ-UHFFFAOYSA-N 436.472 0.290 30 20 ICED C[C@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)NO1 765380278 ZKFQMJGNHGTNBR-GWCFXTLKSA-N 437.927 0.660 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 767841199 XJLJQJAQJDXTPE-ZUOKHONESA-N 441.469 0.723 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637868 WTMVYESGVYKDLM-UHFFFAOYSA-N 443.573 0.713 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCOCC)c2=O)cn1 772305204 YERZVCAMFUNNDP-UHFFFAOYSA-N 436.497 0.780 30 20 ICED COC(=O)Cn1cc(CCOC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 772671959 VQVVYTKRYGJWMC-LBPRGKRZSA-N 435.462 0.054 30 20 ICED COc1cc(C=NNCC(C)(C)S(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 774483333 NUVKKXWVDBDKMN-UHFFFAOYSA-N 427.523 0.680 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)[C@H]1CCCO1 776233311 VQRDKBGTANZCLZ-SJLPKXTDSA-N 432.502 0.378 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 777361390 UXFGNTQCVLJUOJ-LBPRGKRZSA-N 430.446 0.050 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)n1 789789552 ZNRREWKLABCONS-UHFFFAOYSA-N 448.483 0.735 30 20 ICED C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 790871014 PXCCIFQBGNEGPH-SJORKVTESA-N 428.532 0.475 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc3c2OCCCO3)n1 793738597 WGEXRKMRMKHKSQ-UHFFFAOYSA-N 426.473 0.969 30 20 ICED CCn1ncnc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 797378373 STINQOWMYZPIBV-HZHRSRAPSA-N 433.494 0.366 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@@H]1CCCO1 804734724 XGIBAHFWXQSKPQ-HOTGVXAUSA-N 441.575 0.734 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 806208207 IZPSDPPQCVICCC-UHFFFAOYSA-N 448.476 0.555 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 807051148 VJYPAPFXIGRLJM-HAHDFKILSA-N 435.506 0.352 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1F 810352232 AGYRWOVUVMPGQT-UHFFFAOYSA-N 441.444 0.929 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 811251079 BYMDDXVLGHKQNM-UHFFFAOYSA-N 432.433 0.782 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812279964 YAKJWBXNSYTQBP-UHFFFAOYSA-N 427.457 0.053 30 20 ICED C#CCN(C)CCCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 818584642 SVCQTCOSDHHFOQ-UHFFFAOYSA-N 448.545 0.840 30 20 ICED CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1213339124 SRXIXTFIULDMLD-UHFFFAOYSA-N 443.323 0.680 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)[C@@H](C)C1 1286882800 JGZXNJSRZSXVLU-HNNXBMFYSA-N 435.492 0.963 30 20 ICED CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1305308848 AUCMSPFDAWRWTF-HXUWFJFHSA-N 448.549 0.971 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1C#N 1463143865 CHQQIQQKKAHXLF-UHFFFAOYSA-N 441.506 0.930 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 1494252633 JXCUQYPORHOPHZ-MGPUTAFESA-N 431.518 0.982 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1509977681 YUDLELZKDCEVFC-QVKFZJNVSA-N 427.509 0.495 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC1OCCO1 1633540495 JVXAAKSCHOXURY-HIFRSBDPSA-N 425.507 0.524 30 20 ICED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@](O)(CC#N)C1 1643613066 WZNYLIVPTBUFKP-YJBOKZPZSA-N 427.910 0.750 30 20 ICED CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695502022 VHFGTNREZSPESK-UHFFFAOYSA-N 434.508 0.750 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1698307127 SIKJKCFMVAMWQM-UHFFFAOYSA-N 443.533 0.855 30 20 ICED CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706631692 BUWLOVYMZRKSRY-QGZVFWFLSA-N 428.541 0.605 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1710449739 VNTJZSMGHRWFLK-QFIPXVFZSA-N 445.568 0.834 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)c(F)c1 1751234531 LIERHSNQUPYFNU-YPMHNXCESA-N 426.449 0.944 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1761478076 JTLHNLWXBQMQGE-DZGCQCFKSA-N 444.583 0.596 30 20 ICED CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1764823960 QPMGJRLEWNVOMW-MRXNPFEDSA-N 446.533 0.878 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1768293685 NCKZDJRPQOMPRY-QAPCUYQASA-N 448.549 0.996 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778114561 MMPOPSZFQSAUNI-IBGZPJMESA-N 445.607 0.407 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060777 KLWFYJYITOOEDI-UWJYYQICSA-N 440.562 0.196 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779104121 GBHPQKYFDRVJCA-QKLIPOBSSA-N 442.476 0.930 30 20 ICED O=C(CCc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139003 IGYSJFOWVUYPMO-XZEIMLRBSA-N 427.461 0.657 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779412376 XHZRHFAFRDQKAS-XNFNUYLZSA-N 429.583 0.105 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781200846 WWJALAXQGNXFFE-OAQYLSRUSA-N 438.525 0.907 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c(C#N)c3)CCO2)C1 1781253697 ZQIUIKMVFHXUJO-DJJJIMSYSA-N 449.305 0.899 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342002 GNFBRHQMXDACLY-CKFHNAJUSA-N 431.555 0.410 30 20 ICED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc(C(F)(F)F)c1 1782032927 RXCXOJBXJNDWJO-SFHVURJKSA-N 449.393 0.707 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CN5CCCC5=O)CCO4)C3)c2c1 1782195235 XXENDGDBASFFRS-QFIPXVFZSA-N 436.472 0.500 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)o1 1782195472 CANHXHUBPKFYPF-OAQYLSRUSA-N 435.444 0.812 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495620 VVWWGRCDFHRJRF-BDYDPJKGSA-N 437.496 0.765 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)[C@H]2OCC[C@H]21 1783545607 KIGWCJHVBHZMTR-PAODICLVSA-N 448.520 0.754 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1784748208 UJUXPOGSZXAWTJ-HXUWFJFHSA-N 435.502 0.202 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)nn1C 1785379807 URBKBVBDFNAUAY-QFIPXVFZSA-N 439.472 0.823 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)c(O)n1 1787219952 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438.488 0.675 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836374795 HMKOHOXFBUBSTI-IBGZPJMESA-N 438.406 0.979 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837273361 UTUCLAYOHWXHBP-KKSFZXQISA-N 432.525 0.544 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1837311469 GARJTNMGTUGYOP-VOQZNFBZSA-N 438.521 0.827 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837398489 BUZSOLUGZQVWOJ-XXBNENTESA-N 442.516 0.977 30 20 ICED CC(C)(C)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527719 UCEYMXMKSWWLFX-NGPKUFNOSA-N 440.541 0.360 30 20 ICED CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563319 WHLBSODQFGKNCO-HPARJBSBSA-N 443.504 0.994 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnn4C)C3)C2)c1 1838580486 FOSVWIQYLBADGL-QFIPXVFZSA-N 439.472 0.684 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C)[nH]n2)CCO3)c1 1838661460 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C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1)C(F)(F)F 1839894709 MPIZPGKBUROEPE-OAHLLOKOSA-N 435.428 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3Cl)C2)C1 1840041478 OOKZQENRHCCJPF-OAQYLSRUSA-N 434.876 0.817 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840062589 WLPBYZZHFLIUEW-GWJNGDFSSA-N 431.493 0.329 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1840175703 ZONHQRWPVCKVMM-HXUWFJFHSA-N 432.502 0.772 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cc(C)cn3)CCO2)C1 1840405241 MMGRLVQWRFMZCT-NPPFBWRTSA-N 434.537 0.782 30 20 ICED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)cc(C(F)(F)F)c1 1845512886 WEARBICNSHEESK-UHFFFAOYSA-N 449.389 0.946 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC(N)=O)C2 1847069957 UJTMSYVVOGVDIM-HUUCEWRRSA-N 435.525 0.553 30 20 ICED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 17222826 UAGLEBGLFMYUBH-UHFFFAOYSA-N 432.458 0.625 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 30571504 LUIGKTVWWFYYRH-AWEZNQCLSA-N 439.494 0.610 30 20 ICED C#CCN1CCC(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)CC1 303375269 MKPUZWPIOQMYBE-UHFFFAOYSA-N 432.590 0.763 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 409584973 MNPCEQULFPBWJZ-UHFFFAOYSA-N 440.522 0.568 30 20 ICED CCO[C@H](C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cs1 410134570 JAIHZZHHFNIUIY-GDBMZVCRSA-N 429.568 0.827 30 20 ICED Cn1nc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC(F)F 429631610 OZAUYIRMRNKDHS-UHFFFAOYSA-N 440.432 1.432 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C2CCC2)c1=O 431026168 QTHVALHMPXHFMK-INIZCTEOSA-N 427.530 0.649 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437039722 NPQJVBBNXHOTPU-CRAIPNDOSA-N 437.518 0.743 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 439350114 BWTUXLQHNFSPRO-UHFFFAOYSA-N 446.485 0.853 30 20 ICED CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 440891682 KWXKGZQPRJLCIA-MRXNPFEDSA-N 426.477 1.342 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCOC1 441962983 DXPPKAFIRDGRGF-INIZCTEOSA-N 443.525 0.221 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)n1 444508643 UOPNLKIZVPZDJF-ZDUSSCGKSA-N 425.367 1.310 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447447398 CXNRHBCRQUUMAZ-LSDHHAIUSA-N 445.451 0.694 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cn1 467041490 UQXLAZCLHZPROV-UHFFFAOYSA-N 426.451 0.914 30 20 ICED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1=O 467212922 LDKDCCHTKJSGSO-UHFFFAOYSA-N 426.907 0.968 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC 472204194 IEYTYQMVZUGZDN-UHFFFAOYSA-N 433.490 0.906 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)cc1 491246865 LCFOEAXQXRWPEJ-UHFFFAOYSA-N 444.536 0.945 30 20 ICED N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)cc2)c1N 500814131 WHAKXIPRWHTPJG-SFHVURJKSA-N 444.517 0.593 30 20 ICED COCCO[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 507878195 GCGJGCJDHIEGFS-OAHLLOKOSA-N 434.522 0.922 30 20 ICED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 508030757 ZDTFJCZUYIHANM-GFCCVEGCSA-N 442.925 0.668 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 512363973 XRQAXUPRKNNLRJ-QZTJIDSGSA-N 431.518 0.728 30 20 ICED CS(=O)(=O)c1n[nH]c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 512592927 QOBNYHCORJDFML-UHFFFAOYSA-N 438.491 0.119 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(N4CCCC4)CCOCC3)CC2)c1C#N 521481193 PRPMXZZQLLZEPH-UHFFFAOYSA-N 443.552 0.010 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 531561565 JCLZAVIKHFKFSY-ZDUSSCGKSA-N 427.482 0.285 30 20 ICED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 539194726 QJVRZOROXJWLFV-UHFFFAOYSA-N 428.367 0.753 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 546780111 FQVKDPVLAJRLLJ-QGZVFWFLSA-N 427.548 0.879 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)CC1 550215411 YQHYRIXQQGBIPH-UHFFFAOYSA-N 443.367 0.616 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 550249111 VDLBHKYZGGAZNZ-KRWDZBQOSA-N 438.467 1.033 30 20 ICED Cc1nsc(N2CCN([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 554953280 ZCEOSYFUTWWDFD-MRXNPFEDSA-N 426.550 0.973 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)c1C#N 557616531 PFWFTTAPZGWDDO-UHFFFAOYSA-N 438.414 0.324 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](C)C1 558006195 STRDCUNQUBEOHN-CQSZACIVSA-N 428.536 0.375 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 574865885 DFENABOHVPKIAX-INIZCTEOSA-N 430.490 0.365 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 576032676 WKIPSWHVIAFUKZ-UHFFFAOYSA-N 436.515 0.072 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 604137304 JMCMKWJHDZGOEM-UHFFFAOYSA-N 446.460 0.973 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 604218955 PCKDIBGUSIRQIL-UHFFFAOYSA-N 438.444 0.575 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 606077283 DHJZPYOTGXALOF-UHFFFAOYSA-N 444.492 0.130 30 20 ICED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NC1CCN(CC#N)CC1 611153825 WKKMJVQIWUGAHQ-LJQANCHMSA-N 431.537 0.862 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H](C)COC)C1=O 726404268 VCQCYMYZDAOXKC-YQCQBKKGSA-N 442.563 0.553 30 20 ICED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(N)=O)cc1 727161426 YOGUSFAUZMRYGN-UHFFFAOYSA-N 435.509 0.467 30 20 ICED NC(=O)[C@H]1CCCN(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 728077501 JZTBSMCJLLUFSJ-HNNXBMFYSA-N 435.550 0.209 30 20 ICED CN1C(=O)Cc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccccc3C#N)ccc21 729539943 KERUIHVTPZICEP-UHFFFAOYSA-N 427.438 0.782 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861135 LZCBNCYLWYZZHL-MXLIYFDZSA-N 432.502 0.791 30 20 ICED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732463231 KYMZZNXTWSTVHC-CQGUWYRNSA-N 437.460 0.352 30 20 ICED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466165 LQRVCXYLRNGEDH-QBNCKDSPSA-N 432.525 0.241 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)NC1CC1 741095784 QYULDUNUUDTHBV-UHFFFAOYSA-N 442.501 0.869 30 20 ICED C[C@H](CC(=O)OCC(=O)NC(=O)NC1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 745495053 FFBBCDBQTCJLID-GFCCVEGCSA-N 436.490 0.815 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN4C(=O)N(CC)C(=O)[C@H]4C3)ccc2c1=O 751532212 WWVLPWBHSFLQFT-OAHLLOKOSA-N 427.486 0.980 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 756171199 ZEHMCFQPRNWEST-UHFFFAOYSA-N 438.459 0.962 30 20 ICED CN(C)C(=O)CN1C(=O)C(=NNc2ccc(C(N)=O)nn2)c2cc(Br)ccc21 756843040 AOOWHGQFTJPQHF-UHFFFAOYSA-N 446.265 0.589 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 758646523 YTGVINYKCSAVED-NHYWBVRUSA-N 434.474 0.950 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 761038774 YUWBIHTYVKMMKB-CYBMUJFWSA-N 434.440 0.997 30 20 ICED CON(C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766263178 DTQFQUYGBPYTCF-OCCSQVGLSA-N 442.563 0.761 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)o1 775851301 RJAYDVUIWSHRLD-INIZCTEOSA-N 448.524 0.729 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)O)cc1C 777301287 JDPYSBNBMWUUSM-DCPHZVHLSA-N 437.518 0.683 30 20 ICED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1N1CCOC1=O 782907554 VTZVCBWELVVGDI-UHFFFAOYSA-N 429.477 0.965 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)c1 791010138 DGNXVOFEFZNZNA-PGMHBOJBSA-N 433.490 0.229 30 20 ICED COC(=O)c1ccccc1N(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 800762531 KWIOZKWUONETGV-UHFFFAOYSA-N 445.453 0.829 30 20 ICED C=CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800778988 JZMBMKKPLDXOLT-CABCVRRESA-N 431.584 0.617 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287658 DNJYGMSMBVMBDF-CQSZACIVSA-N 442.501 0.068 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802724239 YJIYGYILBQZMMV-UHFFFAOYSA-N 446.536 0.770 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2c(O)nnc2O)cc1 816593614 YGCAOMCVHKJQJG-UHFFFAOYSA-N 428.430 0.746 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCOC 916198037 AZRJYUURFBNNLM-UHFFFAOYSA-N 437.468 0.490 30 20 ICED CCn1c(CCC(=O)[C@@H](C#N)C(=O)NC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 917001762 DWNYFIBBONALSH-OAHLLOKOSA-N 447.517 0.465 30 20 ICED C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918269958 OHWZFWUPHPPWFG-IHLBYEDJSA-N 432.506 0.839 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](CNC(N)=O)C3)CC2)cc1 1115877011 UMJOFGZYHUZART-INIZCTEOSA-N 433.534 0.866 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1116944314 FXKXUYSFJLYVIL-OAQYLSRUSA-N 433.530 0.429 30 20 ICED CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1299053746 QCCICEAXIAEBDK-ZIAGYGMSSA-N 433.538 0.892 30 20 ICED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1323532690 KXGRORHAVCODLU-AWEZNQCLSA-N 442.494 0.347 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1499329853 TYIBRVZHLXUUJD-GCJKJVERSA-N 439.520 0.510 30 20 ICED CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1552870845 KZFFSTDDLLASQW-OALUTQOASA-N 439.520 0.947 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1593886084 QUQCLIAPPXRMJO-ZIAGYGMSSA-N 444.945 0.175 30 20 ICED CC(C)(C)OC(=O)NCCN(CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](O)CO 1643534926 UUAGAHHCPHKYKC-INIZCTEOSA-N 427.523 0.512 30 20 ICED COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1697636433 YSNUARZPBJTXAU-GDBMZVCRSA-N 449.537 0.659 30 20 ICED CCN(CC)C(=O)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1709992199 SDDGBYXLDBOOOU-LSDHHAIUSA-N 441.558 0.266 30 20 ICED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CCOC1 1711634065 SYVFMECPXIJXRB-NRFANRHFSA-N 426.477 0.813 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1750387693 ZAHNLJJLNHMYTJ-BFHYXJOUSA-N 427.431 0.842 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)n1 1751853846 RNZBVVYKEFCHQF-SFHVURJKSA-N 428.541 0.979 30 20 ICED C[C@H](CN1CCCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1761431936 OLNBQEGKCXDRJY-BRWVUGGUSA-N 439.586 0.739 30 20 ICED CNS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1769373329 HAPZYGXLBWMPKZ-CYBMUJFWSA-N 444.521 0.337 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1771112820 YLDLCLVYBZMNSN-INIZCTEOSA-N 441.554 0.478 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)c1 1771343679 HGCDBFXNFYKMSY-OALUTQOASA-N 435.481 0.942 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771536462 TXKIWSDKSILLSS-YJBOKZPZSA-N 437.909 0.877 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778006464 BJBIRCRGFCGNDN-VTJXTGGHSA-N 434.493 0.588 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778052591 FYEFMBRNLKGEQO-JOCHJYFZSA-N 449.471 0.564 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054109 WULRURGEUDXZKG-QHCPKHFHSA-N 446.467 0.428 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381198 QRNVUZVJSBDWOV-VFNWGFHPSA-N 431.493 0.051 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779556552 OPBBZKUMHNLVSA-DZKDUJFISA-N 440.541 0.452 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c1 1781104619 JNZUPCVVRVRBBK-FTFYGEEPSA-N 430.480 0.548 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)c(C#N)c1 1781175134 ZGEYZKPUDYKTRL-OAQYLSRUSA-N 445.545 0.956 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4CCCOC4=O)cc3)C2)C1 1782081704 WYEZTWDOOPRDSQ-QFIPXVFZSA-N 441.440 0.565 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1782641003 ISSLCWUEXDRCJL-QFIPXVFZSA-N 443.573 0.805 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785412032 NTGIHRHVJOYZDT-VGOFRKELSA-N 433.505 0.712 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)nn3C)[C@H]2C1 1785615656 UONLDLMYHSYEQM-ZOBUZTSGSA-N 434.493 0.531 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)c1 1786261596 ZEFIWFBZDXSOFX-ZWOKBUDYSA-N 448.483 0.405 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1788560414 DFVNWXAAUCRNIH-KNTRFNDTSA-N 441.532 0.788 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccnc(C)c1)C2 1792484654 VNGUWAKMCKMXLL-KAHPKBMISA-N 426.517 0.771 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C[C@H]2C[C@H]21 1792998383 TYTGOOHPTYVEIO-WLQXYJQWSA-N 447.488 0.062 30 20 ICED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1793351678 BQCLARFNBUHGBF-ZBHHGKBUSA-N 433.549 0.960 30 20 ICED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793360934 APKXJSBQDLUJKS-OPMZPASUSA-N 445.541 0.987 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793821020 IOWCIDBSKPOQGX-ALXJQNPVSA-N 445.607 0.167 30 20 ICED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1794278871 LDDFNMQASBOEFJ-HGKCTWBKSA-N 442.520 0.525 30 20 ICED COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CN(C(=O)OC(C)(C)C)C1 1797152943 GNNGFYTWNHLIBX-JLVBRIDZSA-N 436.509 0.516 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)/C=C\C(=O)NC3CC3)c2c1 1797614534 QAWODAMSBHYNMI-VQICEPBWSA-N 448.483 0.473 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1800774245 UWUSHIBITCWAKF-CCWDJLKJSA-N 425.441 0.083 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1802025256 MNZHXZIAPYQKTJ-UTAOTPEMSA-N 435.521 0.673 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1802040771 PZLQITFQZWKREN-SHJAMOMRSA-N 430.480 0.766 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802681585 RXGIYQLLERDKBX-FXAWDEMLSA-N 445.520 0.868 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c1 1803683512 FVYLZAACDLOGKQ-RZXSNQJFSA-N 428.533 0.852 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803914045 VUAJVCHJOQXACN-TVTNDZMWSA-N 440.500 0.994 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)cc1 1807189257 FCPUHNMLVWGWSC-TXTKFYIRSA-N 448.527 0.795 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810360688 UOTDZEQFXAQUIF-LSWJPFSZSA-N 428.533 0.932 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1812982735 QLBBTDWQKHRWJQ-ZACQAIPSSA-N 448.520 0.868 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)N3CCOCC3)n[nH]2)c1 1819447207 PBSKLSCEDOFWHY-UZLBHIALSA-N 427.465 0.566 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819475835 BGYRSGNBTKBNNM-VIRAGPHVSA-N 441.448 0.712 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CC2 1825022950 XNKJSFVAOJMUTL-BZPMIXESSA-N 434.518 0.916 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1829630790 BFYDGYNNDXGMRH-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2)C(=O)O 1829909090 NOIVHGAOHHLQKC-NXXUMWEISA-N 427.457 0.588 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831337324 SOTKLJHGVHLREK-HXUWFJFHSA-N 430.567 0.870 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1831386597 AWXNOFQPMCFCHE-CYFREDJKSA-N 439.512 0.986 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1831388357 RKVFYCAKMLZPFH-LLBVYWAGSA-N 446.500 0.223 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1831391655 DVHVWBJNRLIYFB-VLIAUNLRSA-N 434.518 0.524 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1831396331 JRXHWPNXJSJSDH-NYHFZMIOSA-N 444.463 0.810 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1831402098 NRNUHOPRJSBLDI-DNVCBOLYSA-N 426.416 0.866 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1831427099 PDPGGCZKUNYFGO-JTSKRJEESA-N 443.504 0.699 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831478036 KCPUCQYZPPCSJX-QRWLVFNGSA-N 426.514 0.158 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)CC1 1833074947 HPWLXRDLPWSCBX-WAYWQWQTSA-N 444.532 0.816 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833488869 OTRRWMRQWFEMCZ-GOSISDBHSA-N 439.582 0.064 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833489896 AAEGBRYKLOMPDM-FUHWJXTLSA-N 427.615 0.105 30 20 ICED COc1cc(OC)c(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834760142 HSQZUNNPYDKEQN-FQEVSTJZSA-N 439.415 0.966 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1835185141 IGXLJMIXPILXKV-OAQYLSRUSA-N 449.529 0.529 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3Cc4ccccc4O3)CC2)CC1 1835479037 JXMDENDRWZSLPJ-HXUWFJFHSA-N 425.485 0.650 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1835674969 SUJYVGNDNDODDN-JOCHJYFZSA-N 435.569 0.211 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1836262069 FWLWGWIQVQMLKC-MRXNPFEDSA-N 444.225 0.587 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836867041 BGUFPNXEGCGSPI-LJQANCHMSA-N 436.597 0.824 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1837403784 QQRBKTAXRCEKLP-WZONZLPQSA-N 446.548 0.552 30 20 ICED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560512 ZMNGWAHMEITKKM-XMHVBLFMSA-N 448.520 0.461 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C(F)F)n4)C3)C2)c1 1838738006 LCJMUTUXZRYENV-IBGZPJMESA-N 434.403 0.862 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(F)c(F)c3)CC1)CCO2 1839042780 MUAKIBPHFQMDKX-NRFANRHFSA-N 448.422 0.541 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)ccc1F 1839188250 UECPHSHWHKZOBL-UGKGYDQZSA-N 431.464 0.875 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1839807357 URBSYHDSYTWPEH-IERDGZPVSA-N 431.514 0.186 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1)C(F)(F)F 1839891691 SGORZQZWWHKYRF-SFHVURJKSA-N 435.443 0.724 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1)C(F)(F)F 1839892299 FWQSTHMGGZLORQ-MAUKXSAKSA-N 428.411 0.656 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165086 VYOXKNQHKZXVJO-BJNINDPKSA-N 445.541 0.671 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cncn1 1840420189 DDFGVCYSRMYROP-VGOFRKELSA-N 438.488 0.675 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458313 ZDRGGQRLFYCHGY-LAUBAEHRSA-N 433.509 0.667 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841600106 GGTQQJQILNCHQF-CQSZACIVSA-N 434.456 0.426 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1841602616 DLKDQPPOSIARLZ-IAGOWNOFSA-N 442.516 0.864 30 20 ICED Cc1c(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)cn2[nH]cnc(=O)c12 1844301484 QKVAVYDQUOZZOT-JBXLXGEISA-N 442.476 0.677 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CNC(=O)O2)N(C(=O)OC(C)(C)C)C1 1847852116 PTRGGCKQHPGZQL-VGWMRTNUSA-N 434.493 0.862 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC=C 18760514 UQQQEBSBOBDFRR-NRFANRHFSA-N 426.429 0.707 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 21489346 OSCAIDFPTQXWGQ-UHFFFAOYSA-N 444.579 0.495 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 62001974 BMFJWTIBCDDLML-UHFFFAOYSA-N 434.499 0.896 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(Cn3cncn3)CC2)cc1 427508664 DLGCYAPRLPXFGB-UHFFFAOYSA-N 446.533 0.962 30 20 ICED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cccnc1C#N 428378262 UGTVZNZJAFUYJB-INIZCTEOSA-N 432.502 0.820 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 430391676 GVVTZQOJJRJATD-YLJYHZDGSA-N 444.536 0.059 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1=O 440284086 QTIBYHOZYHKTCS-KRWDZBQOSA-N 434.518 0.188 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 443701950 AZRFNEFWBBRGAM-WMLDXEAASA-N 429.516 0.917 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 465274806 MONIFYQMYMLEQV-ZDUSSCGKSA-N 437.416 0.719 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)cc1 480550687 MGKLCNMHERPNDX-OAHLLOKOSA-N 428.474 0.167 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487163810 UTSLCQLAAYDWLM-UZLBHIALSA-N 438.532 0.653 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@@H]3CCOC3)c2=O)nc1 489012047 GNTLYQNRJCFTAU-JKSUJKDBSA-N 425.510 0.758 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 502039474 BIFWIGFZDIKSMZ-UHFFFAOYSA-N 449.492 0.209 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nn1CCC#N 504483530 XIAJDKVFASPQLN-UHFFFAOYSA-N 443.552 0.883 30 20 ICED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 519848149 VWHKFLSEOJUFQF-QRWLVFNGSA-N 439.516 0.933 30 20 ICED C=CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2ccnn2C)c1=O 540047052 MQAPYYZEWLOGOF-UHFFFAOYSA-N 434.477 0.986 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)CC1 550113341 LKPWUDPTGNRRMO-INIZCTEOSA-N 444.532 0.471 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCc3nnc(N)cc3C2)CC1 552535406 JXYORHOVJQBPHV-UHFFFAOYSA-N 434.460 0.885 30 20 ICED CN(CC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 552977898 AKJXKBZGZDBAMF-HXUWFJFHSA-N 434.518 0.155 30 20 ICED N#CCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 553650674 VACNXCZFVHSFKM-UHFFFAOYSA-N 430.442 0.628 30 20 ICED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Oc1ccc(Br)cc1 556405785 DLKOTOGTEFYQBX-KBPBESRZSA-N 448.295 0.428 30 20 ICED COCCN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558056736 JQOOBARPYPLXGH-HXUWFJFHSA-N 435.484 0.846 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 567656582 GXUOYFUEMXNIMN-UHFFFAOYSA-N 430.486 0.320 30 20 ICED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 569133617 SFJYMDOGZPAKDF-SFHVURJKSA-N 437.504 0.639 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1=O 576671598 DRGNRZBFEAWEDY-UHFFFAOYSA-N 437.481 0.801 30 20 ICED COc1ccc(Cn2cc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)cc1 580542461 LNYAKGOELNSULD-UHFFFAOYSA-N 436.476 1.147 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CC(N)=O)c1=O 589158892 ATXXGVTZHTXPLL-UHFFFAOYSA-N 437.452 0.929 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 599181627 DNGCTVGSZCRYNR-SFHVURJKSA-N 438.532 0.526 30 20 ICED CN(CC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1)S(=O)(=O)c1ccc(C#N)cc1 603672405 DBRVQNYTNOKSCJ-FQEVSTJZSA-N 441.469 0.872 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 609668208 JWBZIRAOFGKIGV-LJQANCHMSA-N 434.562 0.900 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)cn2)c1 615310932 OYQUNIBVZBDBJH-HNNXBMFYSA-N 429.458 0.964 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cn1 729030407 SCZGTJYTPGYKHN-UHFFFAOYSA-N 443.460 0.400 30 20 ICED CCNS(=O)(=O)CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731642818 JAPNBVHPFNRIOM-CQSZACIVSA-N 430.552 0.195 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(OCCN2CCOCC2)c1 733892724 UADNLYLVJSJCMK-DQRAZIAOSA-N 428.489 0.930 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 747993248 HCJJLKIUMCZAAN-HZPDHXFCSA-N 427.505 0.622 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(Cl)nc2)c1=O 753788196 KPFFJQDDPAWPTR-UHFFFAOYSA-N 440.916 0.945 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 755310601 SDPCJLLEYBZJQF-VDMFXUGISA-N 435.481 0.145 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)c1=O 756942230 BIYWHWHYAMCNSV-SFHVURJKSA-N 442.497 0.862 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2OCC)c1=O 758091185 UIKAWOCGDYUMFK-UHFFFAOYSA-N 439.537 0.988 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)[C@H](C#N)C1 758472682 JACFBIKOONBLRC-HUUCEWRRSA-N 429.543 0.764 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 758764456 WFUULFJTWOVJDL-SJORKVTESA-N 434.541 0.695 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764829817 FKDJQZSNRIRSNM-CQSZACIVSA-N 427.486 0.800 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 774812712 ZCKYVWRLTVKKFI-INIZCTEOSA-N 428.518 0.733 30 20 ICED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782478193 JHXWMCQVTCWDIH-IHLBYEDJSA-N 449.533 0.565 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782637937 XWFFETMBIYSWST-UHFFFAOYSA-N 431.430 0.588 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 782988159 YGSCQOYIMOIPLJ-UHFFFAOYSA-N 439.309 0.659 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 783478207 BEENETWQTLSDEQ-JENIJYKNSA-N 447.557 0.883 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1C#N 784957807 UTTITYYFCCNKAJ-UHFFFAOYSA-N 440.464 0.836 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 787441981 IAXLRWBOHLUWHM-UHFFFAOYSA-N 446.471 0.969 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 787777162 YNXQXHSRUYXODB-FQEVSTJZSA-N 436.516 0.889 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2c2nc(C(=O)OCC)cs2)c1=O 790483319 QDVFLDAWSGFSLY-HNNXBMFYSA-N 447.517 0.972 30 20 ICED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C)c1=O 794594032 HVYFNHFGGKLNNA-JTQLQIEISA-N 437.319 0.442 30 20 ICED C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CCO[C@@H](C(N)=O)C1 800773411 IMHPQPZPSZTCAJ-QGZVFWFLSA-N 448.549 0.852 30 20 ICED CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCn1cnc(C#N)n1 804620989 CTHWTXRSDXSOKO-OQRGYWNNSA-N 434.547 0.978 30 20 ICED CC#CCS(=O)(=O)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 810778132 VKRVPUPIYBOIKZ-HXUWFJFHSA-N 439.493 0.969 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 813982135 SFRAQCVJCNASFY-ZDUSSCGKSA-N 428.426 0.582 30 20 ICED CCN(C(=O)COC(=O)CSCC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 915388024 WFARSADUNZDUNG-UHFFFAOYSA-N 431.474 0.732 30 20 ICED N#Cc1ccccc1CS(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916775559 DSMSOZMKACVDNM-QGZVFWFLSA-N 429.433 0.764 30 20 ICED CN1CCN(c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nc2)CC1 917207483 DZUAGNJRTWQFAV-UHFFFAOYSA-N 428.518 0.901 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 917688885 XMNJNIPOGLUYRK-ZMEGLIOTSA-N 428.536 0.862 30 20 ICED C[C@H](C#N)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 920448551 IGDDOCJYHKEZRE-IKTMDDPPSA-N 427.548 0.998 30 20 ICED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130080300 SVWHIHHCPXCQKG-XJKSGUPXSA-N 432.864 0.845 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1 1255764668 LQTLJSVEZHDTDT-LJQANCHMSA-N 440.504 0.439 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1261214153 LZWFBTQXTOZUAW-QGZVFWFLSA-N 448.549 0.257 30 20 ICED Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1C 1353198603 VLIWWJNBSGDLOZ-UHFFFAOYSA-N 432.506 0.994 30 20 ICED COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc(OC)c1OC 1504081853 YFMKOGJEDHSFSO-CQSZACIVSA-N 430.465 0.788 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1515314571 MBUYXKGZAORMDW-MRXNPFEDSA-N 446.533 0.830 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1618582711 JINGDOGALISTQR-JOCHJYFZSA-N 449.519 0.953 30 20 ICED COc1ccc(C[C@](C)(CO)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 1651461095 NQAHBXNWUTUSRR-OAQYLSRUSA-N 447.513 0.964 30 20 ICED CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706202904 KDTLOMPKQJKIDI-MRXNPFEDSA-N 445.549 0.544 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1708153763 ZYKMNJPLUOIREB-XCGNWRKASA-N 440.504 0.936 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1=O 1730789603 XNLZGNUBPIYWFO-OAQYLSRUSA-N 426.477 0.263 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1741924029 SHAUWVIKJOFMBM-KDOFPFPSSA-N 443.549 0.441 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1750060711 IXGRLRVXTBCSBV-LSDHHAIUSA-N 427.575 0.595 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1769224458 MWVMYELXTBDRBB-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1778885803 MKVVHHHMUZGAGH-OFNKIYASSA-N 432.565 0.749 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946468 XUKQKDYIVVPKIP-VBKZILBWSA-N 431.880 0.865 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207686 WDFUHUHYPVOWDN-OLSDNLPYSA-N 431.489 0.873 30 20 ICED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)n1 1779244676 CJLIFOAXKAFZQU-KFPCXCPGSA-N 443.508 0.546 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)O)C2 1779339345 IPSQMMTVOJXDAQ-STXHMFSFSA-N 428.551 0.891 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1781266921 FBTUEJGTUMIFDP-AVRDEDQJSA-N 430.505 0.811 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(C#N)c1 1783164832 DKCNWNANUBAFOD-HTAPYJJXSA-N 426.473 0.075 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(C)=O)C3)C2)c(O)n1 1783169272 BXRAPUZZMHLZFI-NYHFZMIOSA-N 430.505 0.874 30 20 ICED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568377 WCZRWDYKRNDSGJ-QVKFZJNVSA-N 437.493 0.598 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959306 CIFJUVVKNBLDQD-HXUWFJFHSA-N 433.486 0.585 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784458454 HYAMTMDFMHUQJE-CFCUBEPFSA-N 433.465 0.214 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1785346956 HBSLAIAOMXDWCU-JOCHJYFZSA-N 449.552 0.673 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787505582 IVCSTTFKVUVPCJ-OWSLCNJRSA-N 427.567 0.604 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788601572 NAMLPYKMMMSYIL-UOIIZVASSA-N 430.452 0.548 30 20 ICED O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791603777 HQZZGTYMCRICLH-DNYSBMAMSA-N 427.461 0.547 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1792628705 JVGXEIOKLXKSLF-ZSBFGKGUSA-N 433.896 0.686 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1793258335 HSQRFIZPNNTELL-JTOYRKQZSA-N 437.540 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 1795309907 KRYRTUGCKDUCIT-KZVMSLLFSA-N 441.484 0.406 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598360 CHNNJBLLFRZUEO-VXIBKDFQSA-N 428.537 0.753 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797711550 YBLGRQJUNZEOGC-XRGAULLZSA-N 429.477 0.211 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@H](O)N3CCOCC3)c2c1 1798486746 GACCJSUEQMJKTH-YJXLLHPSSA-N 438.488 0.337 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1799306373 WPWKXINWOKHIJC-YVWYUNDQSA-N 432.477 0.214 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799416098 GCWVWGCFQUQMOM-HNNVEQLNSA-N 433.509 0.688 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800954366 DFTUCKWKYLEISB-STZNSBDXSA-N 446.548 0.803 30 20 ICED CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801995625 DAQJDOFAIUWSBX-JPULYRFTSA-N 433.530 0.685 30 20 ICED CCC[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 1802130878 NQXMQTPOHKPQIX-KRXQYRFLSA-N 437.493 0.357 30 20 ICED C=C(C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1804094699 LBQJBAOQRODMLH-BBRMVZONSA-N 439.394 0.758 30 20 ICED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804339962 CHTNLXSSJCWQTP-HLIPFELVSA-N 443.504 0.668 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1804963024 RUKIXSCSYOTGTJ-ALKREAHSSA-N 437.456 0.928 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807024001 KUVICKZCBSOFKX-KYJSFNMBSA-N 440.437 0.403 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810489937 LYHCHAZOKULGHU-AWEZNQCLSA-N 429.481 0.249 30 20 ICED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812599 HEJGTIZFRIAYQX-ZDUSSCGKSA-N 443.493 0.761 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2(C#N)CCC2)CC3)CC1 1818900945 ZBAPNKFBGGBCRP-HNNXBMFYSA-N 444.561 0.913 30 20 ICED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1820192831 TZTNOMDEFTZFNV-DOMZBBRYSA-N 430.490 0.720 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824031178 SUFOXFFFQYNBJX-IRXDYDNUSA-N 437.537 0.833 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826818670 BLOYHALKNWGRHM-ZWKOTPCHSA-N 434.585 0.481 30 20 ICED O=C(C#CC1CC1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828572286 UFULJYFSJFGEAF-QHCPKHFHSA-N 441.484 0.163 30 20 ICED CCSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829580381 SYGVEOLYPSDCGU-HXUWFJFHSA-N 433.486 0.352 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1829632653 XQRMPZNNNBSVID-QHCPKHFHSA-N 437.500 0.913 30 20 ICED CN1CCN(c2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)cc2)CC1 1829696155 VPCGORPFZIXOLC-HSZRJFAPSA-N 441.532 0.422 30 20 ICED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1829755350 ACZMREANTGSCEA-UGSOOPFHSA-N 440.526 0.451 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1829764630 QTXQJCYYQBRWHA-QEVIJRNUSA-N 449.483 0.040 30 20 ICED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cc1O 1829900461 DHCVKBMNROBXQV-QFIPXVFZSA-N 439.472 0.310 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049920 GRSNBSMOXCINKO-BTYIYWSLSA-N 438.525 0.906 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(OC)OC)CCO3)c(C#N)c1 1831038692 SJGCXQZATOZBLA-JOCHJYFZSA-N 447.488 0.185 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3OC)C2)C1 1831387831 LRIIPXXDGOSBNF-MBSDFSHPSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(C)(C)C)cn3)C2)C1 1831393339 XFEUOYRLDJKQTR-SBUREZEXSA-N 444.532 0.882 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1831397842 XXSDQQRYBTUTLS-MBSDFSHPSA-N 429.517 0.861 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccc3)C2)C1 1831398926 NBCREVBZFIGXNN-DNVFCKCGSA-N 430.501 0.949 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1831486709 DZFZRNJLSGMROR-YWZLYKJASA-N 449.533 0.459 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831498841 RBNDGVGEKRPDBU-YTQUADARSA-N 432.539 0.013 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832723751 CJHNYYGCAHWPTR-OAQYLSRUSA-N 448.545 0.187 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832900465 TZEWDFUIZKRIHD-CQSZACIVSA-N 437.543 0.554 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833121703 JQJCMZJHYXMCCQ-IAGOWNOFSA-N 435.569 0.885 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1834248599 DOANFZHDWBWGLR-OAQYLSRUSA-N 427.436 0.815 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835126729 CCUZVICZJQGONA-BTCOZLQPSA-N 440.500 0.662 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1836280182 WVNWFRIBUFLUPW-QHCPKHFHSA-N 444.532 0.741 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836392939 COJMDGXDGRSLOA-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1837395265 VSNOCCLVEVVORA-KGVIQGDOSA-N 434.537 0.549 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837399692 ZPJJDJMFCGUWDJ-FOIQADDNSA-N 438.912 0.773 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837445220 KSLUYVVDJGKPIK-VCOZGABYSA-N 429.521 0.552 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559969 KUYWFKFBAKPCMW-HLESVKLYSA-N 434.493 0.070 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838091054 BGLXRBCVILMVIK-NRFANRHFSA-N 430.509 0.137 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838570600 FBAQPVJLNZXKEM-QHCPKHFHSA-N 444.484 0.319 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049527 IEODOLIXNOIEHJ-HXUWFJFHSA-N 449.458 0.940 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105954 QCZAKJYAHPAQMR-OPYAIIAOSA-N 442.626 0.033 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839452726 SNXKZUUSLQSKKA-HXOBKFHXSA-N 440.500 0.627 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839654707 GCFPODNIJAWFPV-OAQYLSRUSA-N 445.545 0.112 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1839889482 WTENQEXAXYTDEE-QAPCUYQASA-N 427.452 0.582 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1)C(F)(F)F 1839893392 TXSQJVCAHONDFR-GOSISDBHSA-N 439.394 0.918 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839986575 SYDLMSRLAFMBGP-KKSFZXQISA-N 441.525 0.559 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840016068 HDFZSJZIBSAVET-SIKLNZKXSA-N 429.473 0.572 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648036 SFCZOHPDJVTLGT-FDDCHVKYSA-N 445.516 0.429 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648037 SFCZOHPDJVTLGT-JPYJTQIMSA-N 445.516 0.429 30 20 ICED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1)NC(=O)OC(C)(C)C 1846371300 MCGKNAGUNFGOJL-QWHCGFSZSA-N 429.539 0.965 30 20 ICED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)C1CC1 19100806 BARZARWKWYGRGL-GOSISDBHSA-N 434.547 0.806 30 20 ICED C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 409484847 MJGJAUTYFVRLRR-WMLDXEAASA-N 428.536 0.688 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 409587223 UGVAYLGGDHTQLT-UHFFFAOYSA-N 430.552 0.490 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)c2cncc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)c2)C1=O 410142074 OIDNSSDUPNTBPZ-RTBURBONSA-N 439.516 0.799 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)c1 427766891 ONFPHURPEFTJOQ-UHFFFAOYSA-N 425.492 0.815 30 20 ICED CCOC(=O)c1c(NC(=O)Nc2ccn(CC(=O)N(C)C)n2)c(C#N)cn1CCOC 446346156 JTFLWQLKLFLDQM-UHFFFAOYSA-N 431.453 1.112 30 20 ICED CCc1nsc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482393584 WSKOMSIUHYSMFX-CYBMUJFWSA-N 434.547 0.988 30 20 ICED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 484515795 IUBXTQPBNLVTRD-INIZCTEOSA-N 438.444 0.092 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 484720806 OOIUIWMPTKSIEL-RXCRORICSA-N 426.583 0.931 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Br)c1=O 489194400 HVEFBKALHKWEDA-UHFFFAOYSA-N 434.315 0.571 30 20 ICED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCS(=O)(=O)CC1 500103562 DAMHAOOUWUJZQE-CQSZACIVSA-N 426.524 0.187 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1c(C)cccc1C 502007354 WORCOBNZOSPTTC-UHFFFAOYSA-N 437.525 0.515 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2=O)cc1 505170491 DZZBTOREUXKMGP-KRWDZBQOSA-N 448.418 0.923 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CC1 512479859 JIOHECUNUFXTSI-NRFANRHFSA-N 432.613 0.699 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 517116426 MVXNRLRWNLQNLU-SFHVURJKSA-N 434.456 0.142 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 530317982 XZDLDAGIKKFPFH-UHFFFAOYSA-N 425.510 0.838 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n(CCC#N)n1 533000791 DLSDKFNGDSPARD-UHFFFAOYSA-N 439.432 0.937 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 537252300 LVAVPAXCUYBVFL-JKSUJKDBSA-N 425.580 0.471 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)n2)c(F)c1 541104037 MJQVJXAEXWYLIV-UHFFFAOYSA-N 441.467 0.891 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 542341338 QVECAIYLTPWZLN-OAHLLOKOSA-N 449.471 0.921 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 545493988 PRZFTSRRFRUDGV-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CCc1ccccc1NC(=O)CNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 555871439 XBWWSNFWEOENSO-UHFFFAOYSA-N 437.500 0.869 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ccccc4)CC3)CC2)c1 556197342 GTRCLBIRXZYNHL-UHFFFAOYSA-N 447.543 0.540 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 557673679 QXINXIJSNCKNDV-DOMZBBRYSA-N 434.440 0.604 30 20 ICED C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1S(=O)(=O)c1cncc(C#N)c1 563948846 IGKBPTHQYOPTLT-ZDUSSCGKSA-N 432.487 0.304 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 566859953 ATNUHUHNPZZIRL-OAHLLOKOSA-N 425.532 0.606 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 567153399 YUEDWICPUKNTOP-RTBURBONSA-N 437.504 0.962 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)CC2)c1C#N 570191596 PMYWCUFJGJBZOJ-DNVCBOLYSA-N 449.515 0.559 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 574469244 VCBPGZAHQOWHKN-UHFFFAOYSA-N 442.476 0.293 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 577682027 LNVGZKSPGKEXKR-DYXWJJEUSA-N 444.532 0.174 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)nc1 583613184 FXNYSQNUZCKBHA-UHFFFAOYSA-N 436.472 0.869 30 20 ICED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 589403164 GLINIOMXQNBCKP-OAHLLOKOSA-N 426.433 0.647 30 20 ICED N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 615645097 JEUVCHISNVFKJF-LJQANCHMSA-N 438.481 0.228 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 673594892 GOTTVRWZNDAUKY-UHFFFAOYSA-N 429.926 0.882 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1=O 726043406 TVAGXIGQOPBDAQ-GFCCVEGCSA-N 435.408 0.701 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCNS(C)(=O)=O)cn1 726112231 WXUXCQHESMEHCB-AWEZNQCLSA-N 442.567 0.443 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 726170632 WWSMLOTVOILSJO-OAQYLSRUSA-N 440.481 0.583 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729675217 VDIMYOKALFCHGS-UHFFFAOYSA-N 439.584 0.291 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 730545661 KIGVHYIHZUFGCA-HXUWFJFHSA-N 446.573 0.122 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 733149873 VOSQLVWYTDYERG-UHFFFAOYSA-N 434.562 0.451 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3nc(CC)ns3)CC2)c1=O 743409538 MOUHYTBTBWRKQS-UHFFFAOYSA-N 433.538 0.127 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 748062429 SXGPNCBAZJIRAM-UHFFFAOYSA-N 426.926 0.744 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 751925396 RHEBGAFQJWOKEC-YPMHNXCESA-N 443.489 0.975 30 20 ICED COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1S(N)(=O)=O 756890898 LKUGJSQHCTWLGX-NXEZZACHSA-N 430.508 0.893 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccon3)c2=O)cn1 765145971 QUCVZGSVSAFJFR-UHFFFAOYSA-N 441.513 0.907 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 767632077 SSAUNMPMRTXYOQ-UONOGXRCSA-N 445.501 0.996 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCNc3ccc(C#N)cn3)C2)cc1 768216443 HIFXHXKVWYLMAZ-UHFFFAOYSA-N 430.490 0.746 30 20 ICED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)s1 773286169 UKKBRRCXDIQOBT-UHFFFAOYSA-N 443.576 0.887 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 784689761 OBZWZBGOOGWKAL-CQSZACIVSA-N 434.474 0.687 30 20 ICED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cccc(OC)n2)c1=O 790427979 NGZGUFLDJONMGX-UHFFFAOYSA-N 432.509 0.816 30 20 ICED Cn1nccc1COCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 793123459 HLOWHOLFRZROLA-GOSISDBHSA-N 426.433 0.903 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)C[C@@H](C)O1 793482811 HVHHYLPRSLGJLD-IAGOWNOFSA-N 449.577 0.528 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCOC 794581745 PWZMENPLYUQFHK-UHFFFAOYSA-N 432.546 0.907 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1=O 798546500 YXQRWQSQWLFVJX-WBVHZDCISA-N 447.513 0.869 30 20 ICED COC(=O)c1cc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744395 KKKKPSWDQMJMHK-GHMZBOCLSA-N 429.389 0.854 30 20 ICED C=CCn1nnn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1=S 919936573 XEDBLNBXQJQCHS-UHFFFAOYSA-N 425.496 0.867 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CCn4cncn4)CC3)C2=O)cc1 1116209156 NPAMFFZTZZLRRI-GOSISDBHSA-N 436.476 0.199 30 20 ICED COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1299798228 RZUFHRHDNPWOJV-LSDHHAIUSA-N 426.543 0.966 30 20 ICED COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301444169 YZOAVNRVXGVGCD-HXUWFJFHSA-N 448.549 0.686 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359082451 JKSXSACHRKGMGR-ZDUSSCGKSA-N 449.313 0.725 30 20 ICED Cc1ccc(OCC(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1626643879 QQKLMLPSVNRPOY-UHFFFAOYSA-N 425.445 0.269 30 20 ICED COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1=O 1641968048 OOUBGRYETMQQSI-LLVKDONJSA-N 431.836 0.652 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(C)(=O)=O 1694132244 YUCXELDJCCPLOO-LSDHHAIUSA-N 447.569 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1741946259 ZGDAMGHAWMSOIF-LSDHHAIUSA-N 439.542 0.020 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1763206172 YUJZDMVLYPTMGO-QGZVFWFLSA-N 437.504 0.814 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1777900848 NDRUSTMYOMKTAR-YQNSVDCASA-N 439.520 0.953 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C2 1780734190 NCHNDBKLJIEYFG-NJNPRVFISA-N 437.537 0.924 30 20 ICED O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1781560797 BOKQJKJJXFCGFS-XMSQKQJNSA-N 442.472 0.684 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1783463129 BLZCSXFAGGADAW-KBJGYGKASA-N 447.488 0.161 30 20 ICED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)o1 1785378499 GCNIJRLOIZZGSY-NRFANRHFSA-N 425.445 0.701 30 20 ICED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1786358533 SGEREYZAKSUGOG-ZDUSSCGKSA-N 435.444 0.599 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(N5CCOCC5)n4)[C@H]3C2)CC1 1787656397 DHMNZGSXIAVQRP-LNLFQRSKSA-N 439.516 0.815 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4nccc4c3)[C@H]2C1 1788444722 XWLYVNBNXFZQQJ-NDBPDDPZSA-N 437.500 0.786 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)[C@H]2C1 1788507391 VHXXLYJWPOBYLZ-PNFIJAFNSA-N 430.549 0.165 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)o1 1788658661 UJABBBVGYWWLNT-GETUGTSYSA-N 435.481 0.429 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c(C#N)c1 1790859748 HMAVXWFUBPJXHH-RKOGWWSCSA-N 440.500 0.225 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1790874841 VTWTWNVLZUZAAX-BJLQDIEVSA-N 428.489 0.443 30 20 ICED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)CC1 1790889391 JYFHEUCIGPXNEL-LNLFQRSKSA-N 441.484 0.870 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1791260976 GWIKIUPJNYNKEB-RMRKRWHISA-N 441.575 0.538 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)cn1 1794950062 FIOHNNWCAZJOGM-HBCWATKFSA-N 447.455 0.750 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnn2ncccc12 1796277432 IWMCBOQDTYGSNF-CVNGWDAJSA-N 442.476 0.462 30 20 ICED O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/N3CCCCC3)C4)ccc2N1 1797330276 YMSKYDXBYHCHMC-JPFZTZFHSA-N 439.516 0.856 30 20 ICED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811306 KUBQNTWVPZWIEP-YITRHIPRSA-N 436.465 0.553 30 20 ICED CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816168 HEXWXVVDOSJMFF-JFNWUHSMSA-N 441.481 0.667 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Cn2cncn2)c1 1797900211 RBHYWTGEEJXSQO-DEYWJSPQSA-N 438.488 0.698 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1799394297 DKRPZTBDTRRIOS-ZXFNITATSA-N 446.508 0.021 30 20 ICED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C(=O)O)ncn2)C3)c1 1799799239 XJCUPTYPRXWZIW-HGKCTWBKSA-N 435.440 0.872 30 20 ICED C#CC(=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 1800455795 QUSVDQLECVNCSU-PDDMAZILSA-N 433.505 0.091 30 20 ICED 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)C1 1800780992 BWMNIVXYNJRNBI-MFCZKXCZSA-N 449.504 0.311 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2)n1cnnn1 1801439884 NTVVDAYFMAWSHY-DPYKFYPSSA-N 429.868 0.663 30 20 ICED Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)nc2ccccc21 1801980327 IIWJECGVCLEOPA-JLVBRIDZSA-N 435.484 0.831 30 20 ICED 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)COC1)C2 1802125399 UODGELQTPAUIMT-YYIAUSFCSA-N 435.521 0.529 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804367261 YMEOPBWKPZKXBA-ZWCUEREDSA-N 449.511 0.951 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807148729 XRORGXFUTSXCRT-VJANTYMQSA-N 428.537 0.092 30 20 ICED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1812587854 SHFXWEFVIGIMAX-JOQOYGCGSA-N 436.476 0.739 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)[nH]n1 1814438190 QSYSHGYJFXKURD-DSPBCKRPSA-N 446.508 0.411 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(n2)OCCO3)[nH]n1 1822200869 RDLUBGVREHRXPU-AWEZNQCLSA-N 425.401 0.970 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)CC3)CCC1 1828009326 ORHQAPXJVGYCGY-SECBINFHSA-N 439.461 0.189 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1829765442 XDAHXYRFEJOZFT-RMUOZIPVSA-N 447.513 0.489 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829856750 USHPECWGKIRUJU-CMQXEDBBSA-N 434.493 0.070 30 20 ICED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1829884568 TXSDWFKEDKVGQT-DEOSSOPVSA-N 440.544 0.899 30 20 ICED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)COC1 1830456240 HEMRTWFLHJGPHM-QHCPKHFHSA-N 427.501 0.984 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1831208863 ABUSYYMOMVHDGR-HSZRJFAPSA-N 435.484 0.751 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H]4COc5ccccc5O4)CCO3)C2)CC1 1831228867 ODRKNXXYBDOZBD-HXOBKFHXSA-N 441.484 0.977 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccc(C)cc34)C2)C1 1831392095 BKMYBIFOJNPFPF-MBSDFSHPSA-N 440.500 0.751 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1831393726 OBUSCZPPATZUFG-OPAMFIHVSA-N 431.489 0.662 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831397447 YJYQZQGEKPJYIB-JTSKRJEESA-N 430.505 0.256 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccnc3Cl)CCO2)C1 1833247044 SZDSODHMYLSADQ-XOBRGWDASA-N 439.871 0.982 30 20 ICED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834074750 LGGHLLJQILCGPY-UHFFFAOYSA-N 442.564 0.699 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594553 ZHJPDIPWISUONV-XZEIMLRBSA-N 432.477 0.182 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)c1cc(O)n[nH]1 1834770192 DPQWXBNTHSKJDK-ISXGRJCASA-N 448.524 0.830 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835297397 JFLIICIGLNVYKM-XXBNENTESA-N 444.532 0.458 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837396328 BCQMBHQRPAQOMD-AVRDEDQJSA-N 435.496 0.793 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837398907 KWDPSENHGJJZHI-HTAPYJJXSA-N 443.504 0.372 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486805 QNGQCBNWHRCCSI-XXBNENTESA-N 449.548 0.056 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837488948 VWHFNEXNWGDDSQ-QHCPKHFHSA-N 427.501 0.850 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837968652 FVMXQKBYBFONOE-QHCPKHFHSA-N 446.500 0.541 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)c1 1838907530 XRHQJMBVFNLTGP-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1839165562 OHXKVTCKJNPCIV-JLHGSKIFSA-N 428.489 0.518 30 20 ICED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)CCCN1 1839362846 SJIGPSCRAOUCHC-DHIUTWEWSA-N 426.517 0.965 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(O)c1OC 1839378294 ZMJOPRPAPLRRQG-RNODOKPDSA-N 440.518 0.798 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccnnc5)C4)C3)c2c1 1839487435 IHTNPROSJOJFAY-QFIPXVFZSA-N 447.455 0.608 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NCc1ccc(OC)cc1)CCO2 1839716483 LILKFDVJFPDWIM-HSZRJFAPSA-N 443.500 0.181 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1839808964 MMOUCVHZSLOVEB-QFIPXVFZSA-N 429.473 0.343 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)C1 1840148490 RGCIOOWKEZIPNH-ASKKUZCQSA-N 428.551 0.741 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203880 XVFRNYYUKKPGCZ-OAHLLOKOSA-N 443.369 0.333 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819050 MCOFNGVSVRUXMP-QHCPKHFHSA-N 444.532 0.782 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840857756 ZQUOSDIKCMTEHV-DENIHFKCSA-N 446.479 0.243 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841745460 DIHQLIWNSUAAGV-ZIAGYGMSSA-N 449.508 0.257 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842837452 VKHOWXIFRANZFP-INIZCTEOSA-N 434.537 0.975 30 20 ICED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)c1ccccc1 1843234999 LQTDUGIMHKRWOD-QGZVFWFLSA-N 445.483 0.827 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1845188746 BNRSWWWQCJUBBV-UHFFFAOYSA-N 446.529 0.604 30 20 ICED O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1)c1cccnc1 1848138393 HLXCNSLRQMYYNA-PNVIPZPXSA-N 429.477 0.542 30 20 ICED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 18392462 CTSGATYKHXUXLQ-UHFFFAOYSA-N 432.458 0.713 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 409523946 VOMRRJXRGKTNNL-ZDUSSCGKSA-N 431.496 0.237 30 20 ICED CC(C)C[C@H](CN(C)C(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 409878966 QAFBQKOYBHUQGH-SOUVJXGZSA-N 426.485 0.424 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 410142166 JWNJZUFLYNQLAU-LJQANCHMSA-N 435.550 0.516 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C3CCC3)c2=O)n1 430982305 PQHXJERGJWKUME-INIZCTEOSA-N 440.525 0.837 30 20 ICED COCCCS(=O)(=O)NCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 431452990 QREWBECHSCHZOG-UHFFFAOYSA-N 431.518 0.711 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434801570 GWINGEFJIPFULC-MRXNPFEDSA-N 444.536 0.445 30 20 ICED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 439948851 VAQVYWGMWYLMNY-LMSBXDPUSA-N 449.485 0.130 30 20 ICED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2)cc1 442006677 VEUIPHBYWHYEAP-MRXNPFEDSA-N 433.424 0.458 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3CCN(CC(F)(F)F)CC3)n2)cc1 445158847 PPJPKBVGTWRBIG-UHFFFAOYSA-N 449.437 1.527 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 445767155 LHEFKFQTGMSOOB-INIZCTEOSA-N 430.534 0.693 30 20 ICED COc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 461204459 RCJNWHGGHXKTMN-UHFFFAOYSA-N 430.490 0.326 30 20 ICED Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465119428 HELNXJWVKCCYCF-ZDUSSCGKSA-N 431.460 0.889 30 20 ICED N#Cc1ccc(OCc2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)o2)cc1 471324388 URQLJZMZJFMFLE-RBUKOAKNSA-N 445.497 0.646 30 20 ICED N#CCc1ccccc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 475812672 JMZQWYNMDBSUGT-UHFFFAOYSA-N 434.499 0.674 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCSC)c2=O)n1 479363484 LDEZJBMRAUUKGT-UHFFFAOYSA-N 430.555 0.802 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccc(C#N)c1 488111225 NHEHRTSJURHVNA-GOSISDBHSA-N 435.527 0.956 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1S(C)(=O)=O 498447390 WTVHHLRUSPXKPC-AWEZNQCLSA-N 442.501 0.736 30 20 ICED CN(CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 500781052 MZUHARUZECPFER-KRWDZBQOSA-N 427.530 0.874 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 502146116 OPTBXVXDBNPCKP-CQSZACIVSA-N 444.556 0.777 30 20 ICED CCS(=O)(=O)N(C)CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505353688 QIOZNUNHKYVRBL-MRXNPFEDSA-N 435.506 0.551 30 20 ICED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 507366453 GGDGVMPPQMRLSR-UHFFFAOYSA-N 434.522 0.721 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 509802168 HIHFMKYNKBCZHI-CQSZACIVSA-N 434.561 0.491 30 20 ICED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 513504684 FWGWKCDNQLXYLC-CQSZACIVSA-N 442.407 0.102 30 20 ICED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 532011878 RQTWCTRUWJBSLM-UHFFFAOYSA-N 426.523 0.981 30 20 ICED CNC(=O)[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CCO1 542918204 YDDDYQLEVCWTGR-QGZVFWFLSA-N 442.432 0.968 30 20 ICED CC(C)[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N1CCN(C)CC1 550381716 LUUHYFMLHYSXAH-QFIPXVFZSA-N 442.608 0.837 30 20 ICED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)ccc1Br 550765615 CUPKTSJIZOWDLM-DYZYQPBXSA-N 434.250 0.754 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 551497761 FCUHRPYLOOHSAK-UXHICEINSA-N 433.516 0.798 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 558121157 DTTKCLCHUQFJED-WCQYABFASA-N 449.459 0.391 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc2O1 559986732 NENQMQCNVNMNCZ-MAUKXSAKSA-N 435.440 0.473 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1C#N 560731874 DQNXQIICQYQZTB-ZDUSSCGKSA-N 427.431 0.002 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)CC1 561453134 DKMFBIVDRWTFIQ-GOSISDBHSA-N 446.552 0.738 30 20 ICED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 562528894 ZBXRDFFSPHBVDH-CQSZACIVSA-N 432.296 0.473 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 569524416 MSAPKARUGVCKJX-AZUAARDMSA-N 439.516 0.351 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1 585757083 IDRZHKYOTYABMW-UHFFFAOYSA-N 425.449 1.288 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 588292260 RYOZPOACZDXYRZ-ZDUSSCGKSA-N 429.524 0.328 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)n1 589416615 JJBRJGQSEIRPQK-SFHVURJKSA-N 433.403 0.916 30 20 ICED CN(CCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)S(C)(=O)=O 603822733 GCLQRBJGIKNKSY-UHFFFAOYSA-N 433.538 0.839 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 609004739 FPGHABXLDPPRHS-UHFFFAOYSA-N 431.460 0.961 30 20 ICED COc1cc([C@@H](C#N)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc(OC)c1OC 609008200 SRLHEOLCUSJIPG-CQSZACIVSA-N 439.428 0.653 30 20 ICED COC(=O)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)C 610662541 HTBLOKHZPZVOOL-GOSISDBHSA-N 436.534 0.568 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCc1ccccn1 619695742 YTLCFMJAJYNJBI-UHFFFAOYSA-N 438.484 0.944 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)C1=O 624819450 NMPAHAMETQLJOJ-UHFFFAOYSA-N 438.488 0.572 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cc1 684535743 SRDQAFYISWHDEG-KRWDZBQOSA-N 439.537 0.805 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 725831717 UVOBEAOQVIUGFG-AWEZNQCLSA-N 437.522 0.995 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 728105702 MYDBKMPJXVWVKU-JTQLQIEISA-N 426.451 0.574 30 20 ICED N#CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 731972328 LFAHMUVEGDWKHC-UHFFFAOYSA-N 428.470 0.891 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 732796817 IYAODQJSASEZFS-UHFFFAOYSA-N 439.472 0.698 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733888367 YMEYDJSOYCQLRN-VXPUYCOJSA-N 443.485 0.308 30 20 ICED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 735841470 RGRVSIYOQFIZKQ-RPBSFSNWSA-N 425.445 0.877 30 20 ICED C[C@H]1CN(C(=O)Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)CCO1 748995341 RLQQMJCVOVZASX-ZDUSSCGKSA-N 443.550 0.679 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nc(CC(=O)NC)no1 750321813 WDFWKNKIPSZZJR-OAQYLSRUSA-N 439.428 0.566 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc(Cl)sc2=O)CC1 756625996 MTJHHSQFJVXOFP-UHFFFAOYSA-N 427.895 0.363 30 20 ICED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ncn1 757198415 FZURWWPBPSGMBC-ULJHMMPZSA-N 430.490 0.853 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2C(F)(F)F)c1=O 758049657 HHUYRGLDVLZBSW-UHFFFAOYSA-N 435.427 0.827 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 758643876 XJOWRJXZWSTTMZ-YGRLFVJLSA-N 435.462 0.254 30 20 ICED C=CCN1CC(=O)N(CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1=O 762291202 LPYOGMCZRCTHDN-UHFFFAOYSA-N 431.492 0.241 30 20 ICED CCOC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 770539084 VRRORWAUYYVOBT-MRXNPFEDSA-N 435.506 0.805 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(Cl)cc3F)n(CC(N)=O)c2=O)c1 773283170 REPGMGGASBTENH-UHFFFAOYSA-N 444.875 0.912 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1C#N 775199599 XLSZENVMXWMALL-GOEBONIOSA-N 431.449 0.817 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1 781477040 RZDDFNNNUWCPNR-UHFFFAOYSA-N 439.472 0.591 30 20 ICED Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 783041221 FOTKWHIECAFVRP-AWEZNQCLSA-N 429.462 0.739 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 783347546 OTKDIUJSKCQGRH-UHFFFAOYSA-N 445.563 0.727 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)c1 795324018 LNYFMWQYLPOXGZ-MRXNPFEDSA-N 429.454 0.500 30 20 ICED CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 808169530 XAHYVCZAYLDZMC-VBKZILBWSA-N 429.481 0.470 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 810344365 QRZAPBQABKUERQ-UHFFFAOYSA-N 434.562 0.092 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N2CCCOC2=O)cc1 814883587 SFKLKUIDXMMWHU-UHFFFAOYSA-N 435.462 0.133 30 20 ICED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 913611301 UANSPLHVPVLCAG-QGZVFWFLSA-N 439.428 0.299 30 20 ICED CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918305222 RUSNZULJQYBJNK-XLNRJJMWSA-N 432.506 0.830 30 20 ICED CNC(=O)[C@H](NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 919319254 YNBHBNQIAJAXMO-HXUWFJFHSA-N 443.481 0.620 30 20 ICED COc1ccc(C[C@@](C)(CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1154291058 ILVPKYSDHBXZAO-NRFANRHFSA-N 447.513 0.852 30 20 ICED COc1ccccc1CC(=O)N1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1292679607 QYUJFCZRKGIXQH-UHFFFAOYSA-N 425.445 0.179 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1298880830 XOMYWGMDDSSLSI-OAQYLSRUSA-N 444.561 0.897 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)O1 1341760857 BSVFXCKTZHYVPL-BBWFWOEESA-N 427.461 0.515 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nnc2n1CCC2 1360666706 SOGKDZBOOKENAV-ZDUSSCGKSA-N 433.542 0.604 30 20 ICED COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1504592218 YXTPWTQHQWZLHE-DLBZAZTESA-N 440.508 0.484 30 20 ICED COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1504754804 IOGIMBSZVKPGSL-DYESRHJHSA-N 425.493 0.818 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1516023202 JFBDUKZLKBMLSV-INIZCTEOSA-N 441.521 0.512 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1541946464 WFGZCQOGUNRUAH-KKUMJFAQSA-N 437.526 0.513 30 20 ICED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1589394672 MFZYBOFWKSQKRR-ZDUSSCGKSA-N 440.346 0.396 30 20 ICED CN(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1617653692 XIFCCICLBASFSI-INIZCTEOSA-N 440.508 0.765 30 20 ICED CN(C)C(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1618510608 NZOHYKJWXZOGQY-HNNXBMFYSA-N 426.477 0.865 30 20 ICED COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1748813535 QHSSTTVJGGLMAK-JKSUJKDBSA-N 447.517 0.974 30 20 ICED CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1766451266 NINXGEHFCPKROG-YLJYHZDGSA-N 431.518 0.982 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nc(CO)[nH]c3c2)C1 1778514547 AUBMDZGYSMSUQW-VGOFRKELSA-N 440.456 0.271 30 20 ICED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015077 PPRWMKZBSLPQJN-YXRJYCJPSA-N 434.537 0.877 30 20 ICED O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)c1ccco1 1779105767 UTELQZGQXNZWRW-NGPKUFNOSA-N 448.476 0.368 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1780739891 VKNFQUKAAKXGFF-JXXFODFXSA-N 434.497 0.257 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780935813 TYSMBJAYSLVFFP-NRFANRHFSA-N 428.514 0.135 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c(C#N)c1 1781171332 SAVHDJABGFRLTD-SBUREZEXSA-N 440.500 0.465 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1781245150 OGIFSVYIBLHINS-SGTLLEGYSA-N 439.394 0.550 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C[C@@H]1CCOC1)NC(=O)OC(C)(C)C)CCO2 1783049318 UHPIWAKEFFYBGL-JKSBSHDWSA-N 435.521 0.769 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783898471 SCYKEPJWMBHHQE-KPOBHBOGSA-N 443.566 0.507 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784871656 IEUGUWUUBDNXGU-VOSYXBBOSA-N 433.427 0.138 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)c1 1785084140 OFZPITGCHHTGFY-MBSDFSHPSA-N 444.532 0.044 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 1790756257 HVPKTPFPXOPUBQ-QRTARXTBSA-N 433.392 0.344 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)c1 1792137835 GKHLHKHILPEPGP-WBAXXEDZSA-N 446.529 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1793354980 VVYLVTWZBMQYOA-ZXFNITATSA-N 437.518 0.279 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1793357363 OJVMTSPOXAPMSR-GUIRCDHDSA-N 441.326 0.977 30 20 ICED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793744499 GIBNGUPQLNTIHM-CTSHNCOSSA-N 433.530 0.945 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cncn2)C3)c(O)n1 1794491266 ZKGXILTUIUONHL-OAFZBRQQSA-N 440.504 0.962 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)c1ccccc1 1795579911 UOUYJLHSWSYBSB-IIZPIQPGSA-N 437.544 0.613 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797706543 FTQVACOQLLCOGM-ZDUSMZPESA-N 427.505 0.594 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C(/C)C(=O)O)C3)c(C#N)c1 1799240757 JTMRRRUGGGBMBN-YNXUSSSSSA-N 427.457 0.730 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CCC#N)C3)C2 1800324879 JZMTZPNTUYDMOT-GGXPGOJBSA-N 443.504 0.516 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801286347 ICLPNIWENRTUNT-CXUGJCBMSA-N 443.548 0.815 30 20 ICED CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1802676353 CDIWKMFOMLWERN-HKUYNNGSSA-N 443.552 0.640 30 20 ICED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1803666682 YPLUFBAAGRDVCV-AYBZRNKSSA-N 428.537 0.881 30 20 ICED COc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)c(C#N)c1 1807058527 FEUANNVVQQJYEI-VGSWGCGISA-N 449.515 0.693 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@H]1c1cccnc1 1808184018 MVGBBLNXSMIMNR-FOIQADDNSA-N 436.424 0.655 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1808439965 DMUFSLMHXYLKKP-SQGPQFPESA-N 428.489 0.875 30 20 ICED Cc1nc2ncccn2c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1809301226 NBMLHZYHFXWNBQ-OXJNMPFZSA-N 432.440 0.840 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1810357573 RSFVLWLXNSLIBW-FODRSAKESA-N 441.492 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 1814518319 SOSSXRKAXOCMRJ-LRPNZCEASA-N 428.493 0.786 30 20 ICED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815654392 VZNIUSJWVFBNGV-ZDUSSCGKSA-N 443.493 0.761 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817467085 YTRAIQSPCDTKNS-DOMZBBRYSA-N 438.448 0.485 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820021802 KSOGJOCYDADTEW-TZMCWYRMSA-N 425.449 0.643 30 20 ICED CN1CCCn2nc(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)cc2C1 1825671889 UAYLPEKMRQLXID-LBPRGKRZSA-N 442.501 0.489 30 20 ICED C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2)n1cnnn1 1826979328 STFXECKKSRGWDO-RLXLQZHTSA-N 431.526 0.775 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829927542 FBVZKOYVKJPNPP-NZQKXSOJSA-N 443.500 0.963 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456944 YNAYNIMJLWXZRL-NTKDMRAZSA-N 439.512 0.986 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1831397193 PMZORLNAFUFWEQ-JLTOFOAXSA-N 445.501 0.195 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832463121 OQBYYNIQMXGSJO-DHLKQENFSA-N 437.540 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832831510 WPXICSFOISGOAF-HTAPYJJXSA-N 433.480 0.648 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833371182 RODRSHNTAHCUQE-UHFFFAOYSA-N 441.580 0.873 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1833464519 IPHWRROZXAVSRQ-HNNXBMFYSA-N 430.505 0.716 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnsn2)CCO3)cc1 1833522433 VGWSANCHFOXDLC-FQEVSTJZSA-N 427.486 0.722 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833621750 RKHDLAREHSTBEC-YWZLYKJASA-N 431.518 0.656 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c1 1833720631 DPPPQOSYGCQBSK-OAQYLSRUSA-N 425.445 0.674 30 20 ICED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)n1 1833875753 MAXPVVAWJMFXFA-OAQYLSRUSA-N 443.891 0.590 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1834246218 BXVOIIPFSIURGK-CFFCXZSUSA-N 435.481 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834652047 AFNFUBSWOBQCPO-ARJAWSKDSA-N 436.582 0.043 30 20 ICED CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)OC(C)(C)C 1835342545 GHJUUOAZOLWITP-OAQYLSRUSA-N 436.509 0.613 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1)C(F)(F)F 1835404801 OBYOQTWYJFOZLQ-LJQANCHMSA-N 448.486 0.199 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC[S@](=O)CC)CC2)CC1 1835654720 QTCJBMJTVPWQMP-SFNQZPIRSA-N 425.595 0.755 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccc1C=O 1835959725 UGIDFXZKWQNENQ-OPAMFIHVSA-N 439.472 0.832 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169642 XMZOEHPVLODNNY-IBGZPJMESA-N 446.508 0.136 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)ccc1F 1836223231 MXGWSGLHRCUBDT-KNQAVFIVSA-N 431.464 0.875 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C)n1)CCO2 1836305498 JKNQKYAYKVUESP-UZQCKINESA-N 442.516 0.627 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944048 HNXWKRNQZNKJBS-VGOFRKELSA-N 443.504 0.699 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837524215 BWCHYCVJSXMLNB-XLKFECATSA-N 436.465 0.582 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cc(Cl)ccn4)CCO3)C2)CC1 1837652487 WVKCAARLGGFQKN-HXUWFJFHSA-N 434.880 0.874 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(CC)n1)CCO2 1838146669 YJCCZDFTAPPURL-ICTHTSFCSA-N 445.520 0.140 30 20 ICED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)/C=N/N4CCCCC4)CC3)CC2)CN1 1838392161 OTQGETMFNYBWJN-FLVDCRJSSA-N 433.553 0.593 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1 1838742009 MEUCBJSUKQZDCS-HRAATJIYSA-N 426.477 0.723 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838906765 DONOKNZJTGRTHC-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(C)C)C2)C1 1839174994 HUHIVVNKHSFLNP-DYESRHJHSA-N 426.510 0.766 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186618 FZZSNUOPPWUWET-OAQYLSRUSA-N 442.451 0.139 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1839419892 AECIWZLDRNYUBB-UWJYYQICSA-N 430.436 0.046 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839721548 RNNDFYXMYVPSNR-JOCHJYFZSA-N 430.505 0.107 30 20 ICED COc1c(C)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840043771 UBSZZDBJJXJODW-QFIPXVFZSA-N 430.457 0.470 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840422549 CFJNVHNQYMYWGN-HMFYCAOWSA-N 431.489 0.344 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566529 BMAZTZLGICEFGJ-NRFANRHFSA-N 425.526 0.292 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc2nccn12 1840815549 YKUKXZIBIYUAQH-JOCHJYFZSA-N 438.488 0.802 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1841601936 JQNFWRZYYPNAHM-IXDOHACOSA-N 435.521 0.456 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846212309 VBWIYEYEHHNSGZ-AWEZNQCLSA-N 434.493 0.950 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c2)c1 429464144 BVPWAVFYIOYCIW-UHFFFAOYSA-N 429.454 0.216 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 436916209 SJMMCPZSWJEGPH-UHFFFAOYSA-N 428.470 0.527 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1cccs1 437481648 ZMXXTYNCRWOGED-GFCCVEGCSA-N 442.544 0.381 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)C1=O 439645231 JJSXPABRZPTSST-CQSZACIVSA-N 437.449 0.318 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 440372899 GHTIRDBLMKJXED-UHFFFAOYSA-N 442.497 0.163 30 20 ICED Cc1nnc(-c2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)n1C 446527512 QQONDIWYLJPWAG-UHFFFAOYSA-N 425.493 0.804 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472110004 GKEPALAAQRSWMD-UHFFFAOYSA-N 430.557 0.422 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccsc1 479399399 WOUWIFQUMBQYQD-UHFFFAOYSA-N 430.536 0.779 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)c1 480927671 KTVGKWTXHWNXTD-UHFFFAOYSA-N 436.493 0.616 30 20 ICED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481525363 CPQKAOKTNVBOIL-UHFFFAOYSA-N 434.449 0.880 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@]2(CCOC2)O1 483206560 ULTJLWDRDKAQTP-LAUBAEHRSA-N 448.545 0.271 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cs1 488618380 ODBMPZMOBOXPTI-MRXNPFEDSA-N 445.526 0.962 30 20 ICED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 499996558 DRTQODTVWQKFJP-UHFFFAOYSA-N 431.518 0.828 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cccc(C(N)=O)c2)CC1 502197947 AGNIBXNRYOFMNK-UHFFFAOYSA-N 427.486 0.873 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 505581708 KXIBHFVYNGXMHP-UHFFFAOYSA-N 446.533 0.640 30 20 ICED CCN(C(=O)[C@H](C)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@@H]1CCS(=O)(=O)C1 513589444 XENRWYOAQCKRTA-CMBDLQSPSA-N 430.530 0.756 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 519581353 MVWOTUIUBTXWKH-QGZVFWFLSA-N 434.518 0.655 30 20 ICED Cc1nc(C)n(C[C@H]2CN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCO2)n1 533304826 WOYBMDLRBRMOCI-QGZVFWFLSA-N 428.497 0.113 30 20 ICED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 537425267 MNSUEOYXPRJVBJ-GASCZTMLSA-N 429.564 0.934 30 20 ICED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 537425270 MNSUEOYXPRJVBJ-HUUCEWRRSA-N 429.564 0.934 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 551581297 AJKQXWHGXDPOSZ-UHFFFAOYSA-N 426.451 0.998 30 20 ICED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552581466 WGLOPOQGMKDTSB-UHFFFAOYSA-N 434.500 0.767 30 20 ICED CC(C)N1CCO[C@H](CN2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)C1 555771946 LHONQEIFGNDKJH-HXUWFJFHSA-N 425.533 0.701 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 561630535 UADAQQFISWHYDI-GFCCVEGCSA-N 430.900 0.698 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)cn1C 587718201 NGRSOKCWEUHFEG-AWEZNQCLSA-N 444.517 0.311 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)n(CC(N)=O)c1=O 589157116 KFTPYXRTOSSFFG-UHFFFAOYSA-N 449.536 0.812 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 590908799 CBYPMNLZQRBJFE-CYBMUJFWSA-N 430.486 0.882 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 591583185 LLWLOWYLJWXHOV-HUUCEWRRSA-N 428.536 0.219 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 606123624 CGIYIAVAPVNTQI-FQEVSTJZSA-N 432.480 0.878 30 20 ICED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 608912594 WRYRWLOOVPEKFP-UHFFFAOYSA-N 440.431 0.815 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 613103088 ZJUUSYCSHSGHOE-GOSISDBHSA-N 436.520 0.624 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 623228876 USZFBRIQGDMAEZ-GJZGRUSLSA-N 442.472 0.529 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1sccc1C(N)=O 729539928 IZNCXTXTMMAUSY-JTQLQIEISA-N 436.471 0.567 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc(F)c(F)c1 729541604 GLJWYAIPLUSSDU-NSHDSACASA-N 425.413 0.559 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 733148900 NKJGIEDBFUWPHH-QGZVFWFLSA-N 442.516 0.340 30 20 ICED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 733667192 SQCVEGWWSGMPJA-XLNRJJMWSA-N 449.533 0.519 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)CC1 747991253 GPMUMPZKFAIGBI-UHFFFAOYSA-N 439.560 0.751 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc21 755543967 DACGTNSEAHPFHF-OCCSQVGLSA-N 442.476 0.691 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 760329138 GCQJMDBGKLAEMZ-CALCHBBNSA-N 436.534 0.630 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)nn1 761012361 RDKWLAYIZGYJGD-MGPQQGTHSA-N 433.469 0.780 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1csc(CS(C)(=O)=O)n1 767677803 BAWDBTCPCRNDQD-LLVKDONJSA-N 443.528 0.970 30 20 ICED CCS(=O)(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 768343498 MYUQDCTXCZAQHJ-CYBMUJFWSA-N 427.548 0.929 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCNS(C)(=O)=O)c2=O)c1 781660735 VICBAZYDRJTZKK-UHFFFAOYSA-N 448.570 0.060 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1OCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 783481826 YDCKBSANDAFBHV-KRWDZBQOSA-N 435.546 0.995 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)[C@H]1CCS(=O)(=O)C1 785995540 WROLQKQEDDAFRT-KRWDZBQOSA-N 431.514 0.722 30 20 ICED N#Cc1ccsc1N1CC[C@H](OC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 786999363 RTBMNNFHKKTMMM-SJORKVTESA-N 446.529 0.982 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)[C@@H]1CCCO1 787562025 JUMBPPMXBUUGPF-UXHICEINSA-N 442.516 0.261 30 20 ICED N#Cc1ccnc(N2CCC[C@H](OC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)c1 791980959 WGSRNPKTICFTSM-CVEARBPZSA-N 445.501 0.631 30 20 ICED C#CC[C@@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 798279594 CNJVQXBXGHGMMI-YWZLYKJASA-N 441.550 0.589 30 20 ICED C#CCC[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 799204721 QDPVGPFNZHXUDT-LSDHHAIUSA-N 429.520 0.048 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 804853856 WOVGIOVBOYSAKC-UHFFFAOYSA-N 433.528 0.735 30 20 ICED CCn1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 807372626 KTYYQZUCYWYMJM-QJOMJCCJSA-N 432.506 0.971 30 20 ICED N#Cc1nc(F)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 808047150 GRDQCZHHJGXFDE-UHFFFAOYSA-N 449.420 0.912 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOC 838180866 ZOISPKBJMDWSNJ-UHFFFAOYSA-N 431.514 0.603 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 849002758 AROOFNQIKLTPHH-QFIPXVFZSA-N 428.537 0.909 30 20 ICED N#Cc1ccc(NCCNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 916520970 QJTOJKAOSOGXQJ-UHFFFAOYSA-N 439.501 0.841 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916875313 MKOUDXPPMISWJF-HNNXBMFYSA-N 449.533 0.618 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1245974075 SPNDNBHAZPGURL-RTBURBONSA-N 442.568 0.365 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOC 1253612206 MBBNDDCBTOZTIX-UHFFFAOYSA-N 449.504 0.360 30 20 ICED CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299253945 OJYMLVANWRYZBZ-UHFFFAOYSA-N 431.504 0.993 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1316539826 QYRLZUGFOQGNEV-IRXDYDNUSA-N 444.517 0.573 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1323470346 FUBIADQDAKZYBQ-SPYBWZPUSA-N 434.522 0.305 30 20 ICED CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1=O 1501017029 PRNARMBFPCNYJD-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1502729251 MWIZAOJMCIOSGJ-UWJYYQICSA-N 434.541 0.770 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1508427025 XHBXYBOMKOWAFV-ILXRZTDVSA-N 429.568 0.743 30 20 ICED CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1555809470 WGTWBTXKYIYGMX-SFHVURJKSA-N 446.533 0.704 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1618691641 ZUDRQXBEATUQRU-SFHVURJKSA-N 441.561 0.817 30 20 ICED C[C@@H](CC(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O)/N=C1/NS(=O)(=O)c2ccccc21 1638603590 JENXRMNODCVOLY-JSGCOSHPSA-N 440.547 0.749 30 20 ICED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1696047036 JZYYMJMZLMGDSR-OAQYLSRUSA-N 432.525 0.919 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1697022546 IJPHFCBCZDDXPG-MSOLQXFVSA-N 446.533 0.750 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778412431 FQCZHKQJIZRRDH-OAQYLSRUSA-N 425.493 0.683 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778946472 XUKQKDYIVVPKIP-XOBRGWDASA-N 431.880 0.865 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c1 1780168930 KJESXDZMTDRMEQ-NRFANRHFSA-N 425.445 0.945 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781391273 QMJBNBBTPXLVBV-KKSFZXQISA-N 431.493 0.442 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)cc1 1783441340 LOHFCLSCYSODML-MUGJNUQGSA-N 441.532 0.063 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1784446532 VUHZNFAHSVMYOI-XAJHFOFHSA-N 446.570 0.095 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785317531 AXVGOFHVTPYCIG-QFIPXVFZSA-N 447.488 0.472 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785329437 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CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842248 TYKMJUICWAPIJK-YJBOKZPZSA-N 439.557 0.379 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)ccn1C)CCO2 1838821377 LZADIEMYCWXCBG-QFIPXVFZSA-N 433.505 0.913 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1839173466 QVXQGCGPORXYCF-NRFANRHFSA-N 435.452 0.800 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1839224710 ODOFTDBYEXQCDV-IFXJQAMLSA-N 439.538 0.646 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839225110 XXFOIGQCGPJTHE-JXXFODFXSA-N 426.514 0.111 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)cc2C1 1839620795 QZTONPNYPVVVCK-QFIPXVFZSA-N 444.536 0.338 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781450 QGMIVXJJQOBWTN-DENIHFKCSA-N 446.525 0.072 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840165397 WORLGYSPYXLKTK-OBOGRJQTSA-N 438.502 0.591 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1840176421 IQGVXRZWSCNLBF-OFNKIYASSA-N 447.507 0.905 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4cnc[nH]4)CCO3)C2)cc1 1840340853 IGUFFQFEZZXRCS-AWUSRGSFSA-N 435.484 0.994 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840429973 JSCUUEVUCUVZJF-PGRDOPGGSA-N 446.552 0.257 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840580551 HOKDAOWINZBDJB-SXFJPSEXSA-N 448.564 0.174 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)CC1 1840818300 VIKGDIGJCJBHLK-YWZLYKJASA-N 443.566 0.630 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cc3OC)CCO2)C1 1840933384 MBFNAGZHXUTHCK-GAJHUEQPSA-N 448.491 0.872 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccnnc1O)C2 1847070102 UGMHGFHHWAWGBW-HNNXBMFYSA-N 429.477 0.916 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)cc1 1848073530 ICWULFNRNRPPGR-OALUTQOASA-N 430.530 0.298 30 20 ICED C[C@H](NC(=O)[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(N)(=O)=O)cc1 29450862 UYOHLLAKGLTQSZ-HOTGVXAUSA-N 442.545 0.989 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1C(=O)Cc1cccc(Cl)c1 410158691 JCSQKBBKJPXOBR-WMLDXEAASA-N 426.926 0.884 30 20 ICED Cc1cccc(NC(=O)C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)c1C#N 439392893 OOXRTPZQSCUEJN-UHFFFAOYSA-N 440.548 0.502 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)C1=O 440240640 LSLDGDIMQGTFSX-FQEVSTJZSA-N 441.532 0.535 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1)c1ccccc1 441968589 YWIHJGGCRIIHED-INIZCTEOSA-N 449.536 0.846 30 20 ICED COCc1noc(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 444442847 LWFWTIJVXSDEHM-UHFFFAOYSA-N 448.505 0.284 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(COC)cc2)c1=O 461374780 PAWGGVOHBZUDJF-UHFFFAOYSA-N 427.526 0.898 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 465057029 CEPGMLDOPNPXHF-USXIJHARSA-N 447.517 0.597 30 20 ICED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(=O)c1C#N 467205479 HXRSWLUQBQYORR-UHFFFAOYSA-N 436.440 0.840 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1Cc1ccon1 480951984 KHIXPRPRVMIAFL-UHFFFAOYSA-N 427.511 0.770 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 482788105 LNLASIZWGHUWEQ-UHFFFAOYSA-N 429.296 0.799 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)c(C)c1OC 488274475 UHUUJZCYHYHUHT-OAHLLOKOSA-N 443.525 0.571 30 20 ICED N#Cc1ccc(O[C@H]2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C2)nc1 489028495 VYXNMNCFIYLTJR-KRWDZBQOSA-N 427.486 0.877 30 20 ICED COCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 497722609 YNYIQDVTWDBSLD-UHFFFAOYSA-N 449.514 0.633 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498957253 PBGBPGMVODAHKG-CGTJXYLNSA-N 427.592 0.427 30 20 ICED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508903632 PTZPWLFVVGPUJL-UHFFFAOYSA-N 428.497 0.757 30 20 ICED C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 511056220 JWUDBCWGJQMSMG-KRWDZBQOSA-N 433.578 0.711 30 20 ICED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 512992955 NMAJKHIFCDRJPM-UHFFFAOYSA-N 434.500 0.663 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 516032268 WHSYPRXQWZHXBZ-UHFFFAOYSA-N 436.472 0.755 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476916 ZIIAGLBUGQFYJI-UHFFFAOYSA-N 445.541 0.529 30 20 ICED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 533542140 OTHVWFYAJIMRMC-CQSZACIVSA-N 429.458 0.834 30 20 ICED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542932835 XELXOODLTPZIAU-UHFFFAOYSA-N 441.509 0.653 30 20 ICED CN(CC(N)=O)C(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 551385076 FBKDXLQZNJIOFL-UHFFFAOYSA-N 428.470 0.669 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 553987853 YKMAMOPSMHYGMB-KRWDZBQOSA-N 425.489 0.909 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 561955648 RMTWSWQRCNPEHW-UHFFFAOYSA-N 429.477 0.741 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cnccc3C#N)CC2)c(=O)n(C)c1=O 563668552 DPZBAOKJSNEBIS-UHFFFAOYSA-N 425.493 0.057 30 20 ICED C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569045630 OSXTURJPOGQXKZ-OXQOHEQNSA-N 425.533 0.964 30 20 ICED CNC(=O)Cn1[nH]c(=NC(=O)C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)cc1C 574243871 KCBDVYLMDIABSM-UHFFFAOYSA-N 440.851 0.069 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccon3)c2=O)cc1F 584463463 XUCUMXDYETVJBS-UHFFFAOYSA-N 428.445 0.733 30 20 ICED N#Cc1cc(O)cc(C(=O)NCCC(=O)N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)c1 589195631 MTKWPXVCFPOGOQ-UHFFFAOYSA-N 447.451 0.946 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 603482814 HWPRXIOYNMMYOS-RTBURBONSA-N 430.530 0.238 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 608911395 DJCYOGSGTOGNMA-UHFFFAOYSA-N 437.308 0.484 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C 729669346 LQORYXMFKBWWPW-UHFFFAOYSA-N 428.489 0.251 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O 729673208 IMDCSHAQADBOED-UHFFFAOYSA-N 447.582 0.682 30 20 ICED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732415879 GBPYKMUAAHGFTM-ISLYRVAYSA-N 449.489 0.784 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 733889426 RJBLOHVJPQFQKF-HNNXBMFYSA-N 440.481 0.423 30 20 ICED Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c(C)s1 746382380 UCSUISZIZJEQJP-UHFFFAOYSA-N 436.519 0.557 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 747741520 HTPHHRPEUHNMHX-SFHVURJKSA-N 433.530 0.746 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2ccc(Br)o2)CC1 749789735 BPPUXSXZYNHXNT-UHFFFAOYSA-N 444.330 0.738 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)[C@@H](C#N)C1 757897350 IAFYMIIYLDTPQL-JTQLQIEISA-N 436.450 0.570 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 761030531 IEPYOXJXCOBESE-UHFFFAOYSA-N 449.396 0.554 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CC1 761033178 TXWCGSOXWJRNRJ-SFHVURJKSA-N 433.559 0.434 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1Cc1ccon1 765145105 FYDAIYFRYVWXJF-UHFFFAOYSA-N 429.527 0.994 30 20 ICED CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 769579058 QHXZAORLQQKGRX-ISLYRVAYSA-N 436.415 0.888 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2nc(C)c(Br)s2)CC1 771758403 LKHMWFXUJYBANT-UHFFFAOYSA-N 435.369 0.660 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 772543661 QERFUWJOMIDIEN-UHFFFAOYSA-N 433.436 0.694 30 20 ICED CN(C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(C)(C)C#N 782342460 QEMYJYIEGGIQPV-HIFRSBDPSA-N 427.454 0.253 30 20 ICED COCCn1ccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 789746249 JKGZEBKDSOWUPF-HAVVHWLPSA-N 448.505 0.920 30 20 ICED C[C@H](C(=O)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)n1cnc(C#N)n1 798841538 MFTGXESAONOBEL-SSDOTTSWSA-N 429.212 0.887 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 803445870 ZQZIHBDLLAPEHT-CYBMUJFWSA-N 441.453 0.150 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 804114361 VLLGWXZKSVUPHV-MOPGFXCFSA-N 433.530 0.774 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCC(C)CC4)O3)CC2)c1C#N 806705849 AZTWKSFCRFPCLI-WIVVBHTDSA-N 444.536 0.687 30 20 ICED O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780703 FBKNDEBITCZECL-UICBKRPASA-N 435.481 0.592 30 20 ICED C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812082215 HBXQOLHYJANXJO-QGZVFWFLSA-N 442.505 0.194 30 20 ICED Cc1nnsc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815731485 KMMHPGQAUBPXQA-RCCKNPSSSA-N 436.519 0.914 30 20 ICED Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1C 838894904 NDLRKFAOOAETEF-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C/N=C(/NCCN1CCOCC1)NCC(=O)Nc1ccc(I)cc1 849002868 WLMCKJNYRVGKHC-UHFFFAOYSA-N 445.305 0.727 30 20 ICED C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1116567974 KYVWDRWBTHOWCZ-MRXNPFEDSA-N 426.491 0.954 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1288774507 ZFVPPSMQFGGKJD-LSDHHAIUSA-N 425.559 0.491 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CC(=O)N(C)C)CC2)c1C#N 1290577634 OSHQUBAWSHVYRE-UHFFFAOYSA-N 448.535 0.592 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1292723959 BPPOPIIJQDJURX-FZKQIMNGSA-N 449.558 0.828 30 20 ICED CN(C)CCOc1ccccc1N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1293690753 RZOAMSLUMSLNJY-UHFFFAOYSA-N 440.504 0.500 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCC(F)(F)F 1318127008 BMDXZNLQKKNWRR-LBPRGKRZSA-N 447.439 0.641 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1345147270 QZGFVIOCUNIKFI-HNNXBMFYSA-N 437.522 0.223 30 20 ICED N#Cc1cn(CCNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)nc1O 1453841814 JFDDUQTUEYLAIA-QRWLVFNGSA-N 443.460 0.667 30 20 ICED CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517623634 NYSWONPZYQXNKI-AWEZNQCLSA-N 433.542 0.327 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H]2CSCCN2Cc2ccccc2)c(=O)nc1O 1681324528 MYMHJYLHGGOBIH-KRWDZBQOSA-N 428.518 0.737 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1695960901 VQGKGABIMXTVTL-FXAWDEMLSA-N 446.533 0.486 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1768294322 WEQTVMSMQIBBQV-HXUWFJFHSA-N 445.549 0.718 30 20 ICED CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769373514 IMOPGPXOCYDIBY-UHFFFAOYSA-N 430.538 0.688 30 20 ICED O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138622 CHDUJJBYFYDODO-OVRHDEQLSA-N 425.445 0.562 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779332554 UMJNBFBPPWKOCE-XQQSMPNESA-N 429.502 0.926 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1780173762 DFSVHOLDTLQBBU-HXUWFJFHSA-N 440.416 0.955 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)C1 1780882570 AWYUQXCJUZDAQI-RDPSFJRHSA-N 439.512 0.959 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781240288 FHPUEHQAEYZTMG-XFQAVAEZSA-N 438.525 0.420 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c(Cl)c1 1781967727 VLKADULCTGTLDN-FQEVSTJZSA-N 430.896 0.495 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782569242 HGUHGHQXYYHHRO-NRFANRHFSA-N 445.451 0.821 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)O)C2 1783269209 KEHKCVHCRDSFNF-QNFHRHJVSA-N 437.537 0.798 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783605135 GKTVMLNTCZMGGP-KNTRFNDTSA-N 441.532 0.788 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)cc1 1783981197 RDQVZXAUNPMICJ-IBGZPJMESA-N 438.406 0.875 30 20 ICED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785599916 JTJNXECZPJVOSP-WCJKSRRJSA-N 449.504 0.598 30 20 ICED COc1cc(N2CCC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)CC2)ncn1 1786361974 BETWLBUSGYAVMD-BZSNNMDCSA-N 442.520 0.595 30 20 ICED CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788489636 IKUZMVZHHZBRSP-FXUICHIMSA-N 443.566 0.654 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1788573028 NSQXLVUIVFPNFI-KFGODFMUSA-N 431.537 0.830 30 20 ICED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)c1=O 1788652729 LOPMKWCOCNBRFB-ITCCNVGOSA-N 446.504 0.508 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1788656212 LAROJAOVXDDUFY-MOFWARSWSA-N 432.477 0.910 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788658262 IFFCETJYHZWNFK-MAXOSKQPSA-N 436.509 0.186 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788678552 HVQBDHPAEUYYDB-VKZSHUQOSA-N 439.472 0.712 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)COCCO)C[C@@H]43)c2c1 1790329443 JWIVFYVMASJLDU-ZVZYQTTQSA-N 427.461 0.037 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1795598621 NRNRQBDEOKZRSF-MIFYACCESA-N 425.493 0.443 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nc1 1797808441 FXLCPZYUFUEBOR-YGIWGEJLSA-N 445.520 0.880 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2C)C3)c1 1798574109 OXJDFJXXPBKLQZ-UPHUGPLXSA-N 436.468 0.783 30 20 ICED 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 1800982187 YGEFEWSXPMBFJH-NGLMIUMZSA-N 435.546 0.074 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1801996006 YSPMJEUGZZJITK-HGKCTWBKSA-N 447.455 0.278 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1804373319 ASAWCOCHBSBLSX-FZKCQIBNSA-N 441.550 0.586 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nn[nH]c2C(F)(F)F)[C@@H]1c1cccnc1 1811563530 QHQRLFPVKFOMIV-NHYWBVRUSA-N 436.350 0.626 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2n[nH]c4c2CS(=O)(=O)C4)CC3)CC1 1814468419 UHWOCRKPRRFMNN-SECBINFHSA-N 446.514 0.824 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC3)c1 1821595479 LZIJKLVPIDEDGD-CABZTGNLSA-N 427.446 0.167 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)cc1 1822162979 HUFCPHMMDAHWBL-KGLIPLIRSA-N 426.502 0.833 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1ON=C(c3ccccc3)O1)CC2 1825666873 KVTVXVKHQUFHBO-BUXKBTBVSA-N 440.437 0.878 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)CCO2 1830834426 TTYQSCWLIYBMER-DMPWYTOCSA-N 448.422 0.613 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1831393634 ZFTZYXVZOMBWLB-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(OC)c3)C2)C1 1831401494 AWYYMTJEBMKQKN-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1832456123 JUHRXFFOXQDGAC-JJOCEZFHSA-N 441.550 0.891 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1833493528 MWIQLSDNFMLJLV-GOSISDBHSA-N 448.593 0.715 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1834761072 UPMZGYOFNKFFES-NRFANRHFSA-N 425.445 0.149 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1 1834992677 QIYLOQOQRNTIAU-QHCPKHFHSA-N 428.533 0.967 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835054726 YFJIHNXFNSQLOZ-QGZVFWFLSA-N 425.599 0.924 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835342447 ZPAUNFUPIQMXSQ-NRFANRHFSA-N 427.461 0.414 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835751230 BANATGAWPADFOS-UHFFFAOYSA-N 428.537 0.689 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CN)c3ccccc3)CCO2)C1 1835817656 ZQYWALVUFYLEGZ-MZLICYQSSA-N 445.560 0.758 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1835984853 SHQCLTRHRLKANI-QFIPXVFZSA-N 446.552 0.091 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836214183 XVKMIPFJEAOEPO-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836974197 PXODGHYTNRBHBZ-HTAPYJJXSA-N 432.521 0.881 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837486517 HKXMXVKWFGIAPW-HXUWFJFHSA-N 434.518 0.307 30 20 ICED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493660 PTVZNTXTRSVUNE-WZONZLPQSA-N 434.533 0.757 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837529544 VHOKEFSEQKGYLW-VRQWSHFWSA-N 431.436 0.627 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837565031 JGFGZUZLHLRDBM-OKFCBPFISA-N 433.461 0.108 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1837781454 BSBQTBAUUKRSTK-GOSISDBHSA-N 433.553 0.545 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2)C(F)(F)F 1839104729 IYZAUGQOVNAQDF-APWZRJJASA-N 448.486 0.197 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839225531 LUJVGZGKMMCHIB-YWZLYKJASA-N 438.481 0.692 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839410187 PDXAGCJMAWPVBJ-SPLOXXLWSA-N 438.427 0.779 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1839437394 VCFMEBJRAVGCQN-QRWLVFNGSA-N 431.518 0.656 30 20 ICED N#Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)cc(C(F)(F)F)c1 1839442937 ICZDQYRWJQAKOJ-SFHVURJKSA-N 426.395 0.606 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448403 GZOWLKVKFBNAHQ-QFIPXVFZSA-N 448.472 0.677 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)C1 1839811448 VKSRATDSWNWMQH-IBGZPJMESA-N 440.905 0.447 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(F)(F)F 1839892827 HXGNFSNXHMAZMO-HNNXBMFYSA-N 433.343 0.506 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1)C(F)(F)F 1839894428 BWASLQVPLYDDAC-BBRMVZONSA-N 426.457 0.675 30 20 ICED COc1cc(F)cc(/C=C/C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044131 MVMPEGDSGBRZOM-ZZTDINLMSA-N 446.431 0.392 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840583321 HQRYNKJGUCPNLW-YYDVJCTNSA-N 437.581 0.889 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1840837373 ZFLHEMJWKQHDGS-ALYZIQHUSA-N 448.497 0.974 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1841053915 PCRIRNLHQTWFCH-KTKRTIGZSA-N 445.541 0.912 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841598476 MLSTUDBTRCJYPO-SJORKVTESA-N 435.521 0.864 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1841598608 RGWYIGRHKBBRJB-QGZVFWFLSA-N 437.496 0.843 30 20 ICED C=CCOC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623954 VHEPBKZANQKDAG-HNNXBMFYSA-N 449.508 0.909 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)O2)C1 1846194420 DHLPOSFEKODGHY-OAHLLOKOSA-N 447.488 0.446 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1CN(C(=O)OCc3ccccc3)C1)C2 1846196765 LYIILJOGFGDRME-UHFFFAOYSA-N 425.441 0.546 30 20 ICED C[C@@](C#N)(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CC1 9050591 ANWQIJBKUUYAOH-SFHVURJKSA-N 438.462 0.803 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 23257894 AGMRVMWCRGWCEE-UHFFFAOYSA-N 440.592 0.735 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 109053100 DFZBJQNRUVYSHU-INIZCTEOSA-N 432.454 0.758 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 409543935 OMFKWIZFKMNWHM-UHFFFAOYSA-N 432.424 0.935 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)C[C@@H](O)COCc1ccccc1 438696752 JHGVAIKQEQXSTG-LJQANCHMSA-N 448.483 1.422 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@H]1CCOC1 441940143 DLMCBCPXSCGHPI-GOSISDBHSA-N 439.537 0.898 30 20 ICED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 441976857 MDVNIRBPCHHFPZ-HZPDHXFCSA-N 442.563 0.527 30 20 ICED CN(CCC#N)S(=O)(=O)NC[C@@H](O)COc1ccc(I)cc1 443221561 LSCOGFZAEMQLRJ-GFCCVEGCSA-N 439.275 0.711 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OCCCN(C)C)CC1 460714808 IMDZYUZKFLLUGI-UHFFFAOYSA-N 439.520 1.345 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNC(=O)c3cnccn3)ccc21 471064889 HFWXTVHQFBQGJN-UHFFFAOYSA-N 449.471 0.544 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 473846542 ZLVPQCIRUULQBN-GOSISDBHSA-N 436.472 0.743 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 483117386 IHDFSCHSJLGNKI-DZGCQCFKSA-N 447.469 0.510 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)cc1 487403117 YLSBCUPRIHYRMY-IBGZPJMESA-N 447.499 0.685 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488250991 OVOLYCSIZBBKTH-FQEVSTJZSA-N 440.548 0.855 30 20 ICED N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 502462015 DFZLAIXXVCCGOH-GOSISDBHSA-N 437.521 0.665 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)C[C@@H](C)O1 512157178 WJAAYMIXIGLGJV-IAGOWNOFSA-N 438.525 0.858 30 20 ICED Cn1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)n1 512518097 FNYLBCWTYHKMNF-HNNXBMFYSA-N 448.405 0.844 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3CC)c2=O)cn1 512742776 ROWAXECDIWNTKP-UHFFFAOYSA-N 437.529 0.457 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNC(C)=O)C2)cc1 520077021 SETXBVCECWYDLB-MRXNPFEDSA-N 436.534 0.806 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cscn3)c2=O)cn1 523861123 WDKHQDKSKQNZRN-UHFFFAOYSA-N 426.527 0.697 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 540233741 ZAEQUFZONBAAHA-UHFFFAOYSA-N 444.517 0.948 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(S(=O)(=O)NC4CC4)cc3)no2)C1=O 544849949 MLEARVUBOMGZEM-UHFFFAOYSA-N 431.430 0.654 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCCn1cnc(C#N)n1 554345863 QQCYEALPCUWPMO-UHFFFAOYSA-N 435.466 0.001 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 556110485 UXNZENPENXBQSO-HXUWFJFHSA-N 427.549 0.386 30 20 ICED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)CC2)C1=O 559715904 FFPJRCOWWFYAQF-UHFFFAOYSA-N 434.250 0.802 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 563689704 XJSDYPUWWPMUFU-UHFFFAOYSA-N 436.497 0.148 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNc2nccc(C(F)(F)F)n2)c1 565981404 VIVJINHPPHQYCJ-UHFFFAOYSA-N 428.396 0.874 30 20 ICED CS(=O)(=O)NC1(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCCCC1 589413743 WFJKQKCDRQDBOY-UHFFFAOYSA-N 445.505 0.446 30 20 ICED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608889962 LDEYAVBMDICIKL-UHFFFAOYSA-N 447.561 0.942 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)c1 610561839 RZWFJVIZNCMVGJ-UHFFFAOYSA-N 434.478 0.847 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3F)c2=O)cn1 611492483 STLVSEOMSWGFJJ-UHFFFAOYSA-N 442.432 0.412 30 20 ICED COCCN1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 729069162 DCHMLMAOMSENCF-QAPCUYQASA-N 443.460 0.447 30 20 ICED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n12 732664534 QKNISSBZVYBPLS-CYBMUJFWSA-N 430.542 0.096 30 20 ICED CCOc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909571 CKOXPZAQVXXFAG-YOEHRIQHSA-N 433.486 0.404 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)CC2)cn1C 733681267 SCBJXWFSPDSHDE-HNNXBMFYSA-N 430.490 0.872 30 20 ICED CN1CCC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 735886638 KWMMWWMYECXACQ-VKWHMPGMSA-N 435.550 0.896 30 20 ICED C[C@@H](CC(=O)NCC1CCN(CCN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742672619 RZFAYAFZMLVROZ-INIZCTEOSA-N 435.594 0.894 30 20 ICED C[C@@H](CC(=O)OCC(=O)NC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 745498582 YDRSTMYLMVXSFP-LBPRGKRZSA-N 448.457 0.666 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756232989 YRWLOUJCTXXZPU-RPLLJCPNSA-N 425.416 0.700 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1N1CCOC1=O 757293497 OUSDYMQYEGHJMY-CQSZACIVSA-N 435.444 0.981 30 20 ICED COCCN(C)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 757332936 TVHDVUPYBMRIFR-AWEZNQCLSA-N 446.551 0.079 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 758049567 HJCWWOUGOVZVIM-UHFFFAOYSA-N 439.493 0.350 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(CC)s2)c1=O 758050807 SYYMFUBXPWOLEI-UHFFFAOYSA-N 440.594 0.834 30 20 ICED CN1CCN(C(=O)CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 764043578 ZQFDUEVCTKVNMP-UHFFFAOYSA-N 449.577 0.518 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OCC(F)(F)F)cc1 771889889 CAIHRPRUJGPZSU-UHFFFAOYSA-N 434.396 0.728 30 20 ICED CC(=O)N1CCN(Cc2ccccc2NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 782078350 LGZVMTPFWZZHHE-QZQOTICOSA-N 440.504 0.999 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 794296560 QFBUANFRHVJSBI-UHFFFAOYSA-N 445.432 0.949 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 799287902 VBKXMWDALLPZNY-MRXNPFEDSA-N 434.518 0.766 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 799782222 ZTAYBJHWBJTKHB-CYBMUJFWSA-N 444.535 0.728 30 20 ICED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1Br 806894486 AKQZWZGBYMBCJW-LBPRGKRZSA-N 434.294 0.946 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOC 916200567 HBKLBAUJKXPFGO-UHFFFAOYSA-N 429.498 0.379 30 20 ICED N#Cc1ccccc1OCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 917730446 AHHFGGBYHCHUST-IAGOWNOFSA-N 436.486 0.675 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(N)=O)CCOCC1 918098698 FGXVOYQPTQHPFP-HNNXBMFYSA-N 436.534 0.538 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1288520548 UWFUQYSLFJYYKQ-ZDUSSCGKSA-N 429.506 0.975 30 20 ICED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300856794 LIAJWYUHFOFAMR-LBPRGKRZSA-N 425.287 0.950 30 20 ICED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1504264579 VSRSCJDQLIAELP-JSGCOSHPSA-N 438.485 0.813 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1644531149 NKWKKESMEHLFAB-UHFFFAOYSA-N 432.546 0.805 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691206637 MKDPYFOFNQWOKC-JKSUJKDBSA-N 428.541 0.711 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCOCC1 1692766017 SOXGWTYUEAIVIO-CABCVRRESA-N 427.575 0.737 30 20 ICED CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1696999646 QGPQDVLWBKIQPX-AWEZNQCLSA-N 433.538 0.927 30 20 ICED C[C@@H]1CCCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)C1 1708079339 OKQZIOZUAGRMEV-QBPKDAKJSA-N 439.586 0.737 30 20 ICED CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1710157294 ZLOLOHUTLOPJIX-SJORKVTESA-N 441.602 0.937 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1729397421 SOMRJTOWHYNCQK-KRWDZBQOSA-N 448.549 0.890 30 20 ICED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC2(O)CCOCC2)cc1 1750384051 LUPSEGVIDDBTMY-INIZCTEOSA-N 426.477 0.582 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@@](=O)CC 1766397106 YKDXPYQQQMKRDN-PMERELPUSA-N 434.570 0.823 30 20 ICED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1771368008 KZCLCZAWVVBRRI-ROUUACIJSA-N 446.533 0.781 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)N1CCN(C)CC1 1779066323 QIKNOLGUKHNJPF-RDPSFJRHSA-N 446.592 0.151 30 20 ICED CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191979 NWUTWRQIGABXOR-GOSISDBHSA-N 425.894 0.700 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c(C#N)c1 1781174559 QHZOMNWAUGOFPR-QFIPXVFZSA-N 437.456 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1781269393 OZFWEZAAPGSVSC-NRFANRHFSA-N 427.461 0.682 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ccc(F)cn23)C1 1781382705 WJEUFCDNEYPYIU-IIBYNOLFSA-N 428.420 0.689 30 20 ICED NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)C1 1781739648 UMLWEVBULJJXHQ-DHLKQENFSA-N 432.524 0.816 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)CCC(N)=O)C3)c2c1 1781771445 SYVWYNGEAICCTI-VGOFRKELSA-N 438.488 0.828 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781861604 VOTRVNIEWKZIPW-STXHMFSFSA-N 442.513 0.460 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192745 UTIBBXAIAAONCG-FQEVSTJZSA-N 445.501 0.313 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784485936 MESUNECVOCYHOV-VGOFRKELSA-N 429.521 0.961 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786645935 IQLVHYBJWZQJQM-ZKORBPAESA-N 440.543 0.511 30 20 ICED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1786648568 JGFKIMOYUIRSQC-ZVZYQTTQSA-N 437.493 0.264 30 20 ICED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1786700428 AEOHTTULRZFEAL-RMRKRWHISA-N 429.477 0.276 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1788523980 LTQFEJXSYMNEHI-DFGXFYAUSA-N 440.504 0.779 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1788661190 FMRWJTPGPYLIOZ-AKDGEAGXSA-N 436.509 0.021 30 20 ICED CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C3(NC(=O)C#CC(=O)O)CCC3)cc2)CC1 1789119735 CLCXFCFLFLCIHQ-UHFFFAOYSA-N 447.513 0.880 30 20 ICED 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 1790330294 GDTIXQAXWITPOV-BEQMWEJSSA-N 438.488 0.552 30 20 ICED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1790571701 NRHBAKZUYCJYBU-UGUYLWEFSA-N 427.571 0.251 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790743940 OHEGCVWVRGUDQW-LWYYNNOASA-N 445.541 0.658 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ccn3)C[C@@H]21 1791075757 WHRWREOGIYGSEI-IEZWGBDMSA-N 426.473 0.363 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)C2 1792489997 DFRGNXBCGDTKGY-NKKWZFJQSA-N 445.516 0.190 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1793343151 MZCHHBIWPUPNLE-PDOICOKGSA-N 438.484 0.244 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793604381 BXWSECIEVNIEJK-KYHPRHEASA-N 436.509 0.516 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c(O)n1 1794084524 KHWUDGDADAQNDE-MUJYYYPQSA-N 441.488 0.709 30 20 ICED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n[nH]1 1794560177 RYDLBDLCUAHSQK-CWPLJXCYSA-N 428.489 0.514 30 20 ICED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cn1 1795598885 DBIIQECFMQIZFQ-IZZQQSIFSA-N 428.537 0.633 30 20 ICED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797006063 YGXWQLMYMPAOPT-BAUNPHCKSA-N 436.472 0.953 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 1797320897 OVARPALCFFMCSN-CCWDJLKJSA-N 443.504 0.470 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797713732 XMDPYFRTGDWCLO-NAIAOIPJSA-N 443.500 0.884 30 20 ICED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797758871 ATHZAHQLCTXQQX-IZZQQSIFSA-N 429.546 0.554 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc(C(F)(F)F)c1 1799785843 SJCYYQNYOSALQM-FVCICTRLSA-N 449.389 0.656 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799875535 ULHSJAZCRCIMBR-ZUMXRPEOSA-N 441.444 0.713 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(C)=O)c(O)n1 1800530007 DHYVFTAUIYKUAM-JNNRSPCRSA-N 430.505 0.634 30 20 ICED 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)CC#N)C2 1800824868 QWDLXNMNRPJJIO-QZDIBKHGSA-N 436.509 0.250 30 20 ICED C#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 1802128269 PVBYCJUERNUVLN-RBGFHDKUSA-N 425.551 0.811 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804221972 JZOABGCVHIEGNQ-RDGPPVDQSA-N 429.448 0.599 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1807882842 YAFPJZUKAYWEIU-YUVXSKOASA-N 441.576 0.762 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2c2cccnc2)CCC1 1807950394 HXUHHSYIAQXRLO-RHSMWYFYSA-N 447.459 0.221 30 20 ICED C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810333726 OLMATIMBGJAZDR-CUWPLCDZSA-N 426.517 0.921 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810391566 GHMSLNGOWYCSCX-XXCXOOQISA-N 440.504 0.392 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1814063079 YYCCDMSEQDEMKF-LAUBAEHRSA-N 435.488 0.521 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2)C(F)(F)F 1825260691 CVAQBVPHZYJWEA-CBAPKCEASA-N 431.396 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1829762775 RAOKUHDSYRCXRG-YZKSSJSGSA-N 425.551 0.256 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1829769446 SISIPFWZOPUYJM-LXHZQTKUSA-N 447.463 0.460 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(C)c3)C2)C1 1829771155 IWXMLPCTTMICHV-KSEXMQBYSA-N 443.500 0.629 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904615 RAGRNBCUHPBVLK-QHCPKHFHSA-N 435.484 0.969 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1830047507 YTVNFDGLPURFEZ-OAQYLSRUSA-N 447.467 0.039 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c(C(F)F)n1 1830056786 UKSORELHLXEOGF-LJQANCHMSA-N 425.436 0.977 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 1830747493 KEMOUFAKVNJWSQ-SXGZJXTBSA-N 445.582 0.922 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1831386813 KIKDJFKCSBJZCZ-VLIAUNLRSA-N 437.880 0.549 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1831386864 KMHZIZVFHSGGAY-PGRDOPGGSA-N 433.505 0.719 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831406759 DFBXFLNTVAHKHM-SFHVURJKSA-N 434.436 0.536 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1831411024 KBVVYOAYQMXJOG-AVRDEDQJSA-N 439.553 0.730 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831435020 JBEJKDRJWXEMMT-VGSWGCGISA-N 428.489 0.995 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCNC(=O)c2ccc[nH]2)CC1 1831664446 ABTPDALYEROVLB-SFHVURJKSA-N 428.489 0.842 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832758865 FICDMCVPLHPREN-YCRPNKLZSA-N 449.529 0.759 30 20 ICED O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1833386817 UUTBUBFYEQTADF-OEAKJJBVSA-N 445.520 0.722 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)c1 1834029554 DIPAMJOIBQJQSL-QFIPXVFZSA-N 437.456 0.741 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834322626 ZLDNKQLDAXQQHT-HSZRJFAPSA-N 437.500 0.995 30 20 ICED N#Cc1ccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H]4CCC(=O)N4)CC3)CC2)cc1 1834586649 OISIMQSQIXLLGP-OAQYLSRUSA-N 437.544 0.951 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834594458 UZYKPWDXKXLRLW-HSZRJFAPSA-N 444.484 0.408 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835335675 NYGMSAZNXAEOOL-MUCYYROYSA-N 437.415 0.924 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835341339 XLWUMEGTACVPIQ-QHCPKHFHSA-N 442.516 0.892 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015970 VNBQSNWVHHLUKB-XMMPIXPASA-N 445.479 0.851 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nncn5c4)CCO3)C2)c1 1837019429 VWGRVLPLBQYMEZ-NRFANRHFSA-N 435.444 0.313 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837561647 ZGVQQXTZKKPGOK-FFCJBUTOSA-N 429.429 0.422 30 20 ICED CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1837790987 WCXGEMVDEOKELY-UHFFFAOYSA-N 431.581 0.926 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838435894 BROPKYDGNQKQTL-MRXNPFEDSA-N 428.489 0.969 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(C)(C)O)C3)C2)c1 1838580580 KYYUZWFQYKMDPC-QFIPXVFZSA-N 431.489 0.798 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839276566 OIVHWNKFQZIZAL-QVKFZJNVSA-N 449.435 0.842 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)c1 1839372823 HWIDPJAZOPAIBI-OAQYLSRUSA-N 442.428 0.387 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3c(Cl)cccc13)CCO2 1839590819 WUNRZFQBXQTZGE-OAQYLSRUSA-N 445.859 0.979 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1839622842 YBZVDBLNRDMQFT-FOIQADDNSA-N 437.566 0.107 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)C1 1839806515 RWNNQRKNPNEYFR-NRFANRHFSA-N 447.875 0.155 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1)C(F)(F)F 1839891953 ITKMRIVWBIARNM-QGZVFWFLSA-N 432.399 0.617 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325047 AZIIVUHPGVLJAX-LQWCGFJLSA-N 449.508 0.328 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358979 CZNPINLOCLNTAO-OAQYLSRUSA-N 442.451 0.449 30 20 ICED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845103811 KHRMLRLUXCIPOB-BRWVUGGUSA-N 435.521 0.456 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845130592 MBHRCGTXNUSHFF-HNNXBMFYSA-N 434.541 0.370 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)[C@H]2C1 1846197058 OKELTCWPNHDNHP-OWCLPIDISA-N 447.488 0.160 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 15759941 UPZIDGYGZYMXLC-UHFFFAOYSA-N 438.469 0.196 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)cc1 434598917 WICOUBDSQCSLNR-UHFFFAOYSA-N 436.534 0.413 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C1CC1 435177740 OQRZGTGOYUWQDR-UHFFFAOYSA-N 443.525 0.836 30 20 ICED COC(=O)Cn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 441984565 VPVWEWUVQOAMHJ-UHFFFAOYSA-N 446.489 0.040 30 20 ICED N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 443120008 UMILVNZNFPMNCU-UHFFFAOYSA-N 448.954 0.531 30 20 ICED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 465332326 GTYDUKGVOCGFHV-UHFFFAOYSA-N 427.440 0.269 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1=O 475660294 HWMJIQIXSMNWJZ-LBPRGKRZSA-N 438.362 0.904 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCC[C@H]1O 481538683 FMGLUHAMTJLZDX-RBUKOAKNSA-N 434.562 0.874 30 20 ICED CCOC(=O)CN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 484642272 VCLCHFMNJSVRCA-UHFFFAOYSA-N 437.518 0.997 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(C)c([N+](=O)[O-])c1 487784665 PHFKTZKHHLVRPW-UHFFFAOYSA-N 447.448 0.703 30 20 ICED CS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488598914 JKSRQKUDCBGNJP-GOSISDBHSA-N 440.481 0.818 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 489233886 QUHUYUXCKMMETM-RXVVDRJESA-N 425.533 0.919 30 20 ICED N#Cc1ccccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 499121957 PLYIFIAOGDSQEV-KRWDZBQOSA-N 427.548 0.458 30 20 ICED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 511301949 CDZQPYPAHRZUIO-CVEARBPZSA-N 437.474 0.445 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 511435304 CEWYWSZLMIPKPR-INIZCTEOSA-N 429.502 0.752 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCO1 521590095 LXLRYRDFVLJEKH-INIZCTEOSA-N 432.502 0.501 30 20 ICED N#CCCN(C(=O)CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 522860235 KAEUMQPONFUOLT-IBGZPJMESA-N 441.532 0.763 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 526038138 KYEYRMNGSRQNBL-UHFFFAOYSA-N 448.495 0.336 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C#N)CCN(C)CC2)c1 531598563 WETCEAOUQCYTQO-UHFFFAOYSA-N 435.550 0.551 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 537486029 AYYDYRSOGWYNHN-UHFFFAOYSA-N 445.213 0.435 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 539352331 FKZGXJLBNQOCAQ-UHFFFAOYSA-N 432.506 0.826 30 20 ICED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 539374555 SPOXMTFILHGWCH-MOPGFXCFSA-N 446.621 0.989 30 20 ICED CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 540341071 WQIREESGBGIXSU-LJQANCHMSA-N 435.569 0.412 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1Cl 548618159 NKIWVLKHGNMXLH-LBPRGKRZSA-N 447.900 0.166 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc(C)n1 554717792 LXFRALSWYRLLRV-UHFFFAOYSA-N 448.531 0.794 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)CC1 557085048 TVHDFLFRVUKOON-UHFFFAOYSA-N 441.513 0.582 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)CC1 557730949 MOXOCQRGGKOSLE-QGZVFWFLSA-N 432.525 0.348 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 567308557 YBSYIXGKJOEGBQ-MRXNPFEDSA-N 446.537 1.230 30 20 ICED CN(C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccn1 573161665 CQMJGWRSKTVSNP-UHFFFAOYSA-N 437.504 0.254 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)c1 574225267 YYWHICKAULHJCN-UHFFFAOYSA-N 445.435 1.132 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 584423646 QHFKJQXMGGGCGM-UHFFFAOYSA-N 429.546 0.604 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 586813629 DEWYMAXGQXBERC-UHFFFAOYSA-N 429.521 0.118 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)c1 588159979 SPTNMHJIUTYMQM-QGZVFWFLSA-N 447.499 0.096 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(OCCCO)CC3)C2=O)cc1 588866080 KSFRAUJSLJPJOO-IBGZPJMESA-N 428.489 0.560 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590907386 PURSZDBZAOYCAV-AWEZNQCLSA-N 443.525 0.761 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 604524984 YBSHTMFJMAOVOW-UHFFFAOYSA-N 442.563 0.071 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1F 619695978 IRGNRAVKVXUOSZ-UHFFFAOYSA-N 444.488 0.105 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674508 ISYHATJIJYITMX-UHFFFAOYSA-N 433.555 0.858 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 730545660 KIGVHYIHZUFGCA-FQEVSTJZSA-N 446.573 0.122 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)cn2)CC1 730891466 UAEYZAGYLYVRJV-UHFFFAOYSA-N 433.446 0.248 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1 749667645 VNDFQSXMPIRYFS-UHFFFAOYSA-N 441.488 0.033 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 755535957 IZGVPPMPWUZTEV-FZMZJTMJSA-N 429.433 0.831 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767552912 YVQOMXVGOQTQSA-IERDGZPVSA-N 430.509 0.892 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CCS(=O)(=O)C1 783481952 ZHKPJHAMFXFAPY-LJQANCHMSA-N 432.546 0.416 30 20 ICED Cn1c(S)nnc1C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 784583030 WNOWFLOESRLKHI-UHFFFAOYSA-N 437.489 0.901 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)/C=C1/N(C)c3ccccc3C1(C)C)C2 786431153 FHYAUPVYTCXHQR-XDHOZWIPSA-N 438.532 0.829 30 20 ICED C[C@H](OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)NC1(C#N)CCC1 787548650 AGCNEGPQHKUNHM-XUJVJEKNSA-N 443.909 0.862 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)c1 797387487 HIQLOEKKXVKSAU-MLPWYGTASA-N 435.506 0.162 30 20 ICED N#CCNC(=O)CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 804977698 WPNUSFNHHGYLKE-UHFFFAOYSA-N 426.456 0.381 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 808174161 DKGLMXRFNFCMES-GOSISDBHSA-N 431.456 0.665 30 20 ICED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 810086126 NNYKZHGMFRKVIE-UHFFFAOYSA-N 428.540 0.464 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3c3ncccn3)CC2)o1 915386188 OSJZBIQOPFSXJJ-MRXNPFEDSA-N 425.449 0.506 30 20 ICED C=CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915445149 YAYRYTPRPIDKAA-UHFFFAOYSA-N 428.463 0.702 30 20 ICED CC(=O)NCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 917229975 XOTNKSNFEPOVAE-UHFFFAOYSA-N 429.454 0.899 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 920709256 JSZATUWBAIHMNB-QGZVFWFLSA-N 426.451 0.861 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1299301750 OLXXUEWVGAHZFJ-HNNXBMFYSA-N 431.478 0.007 30 20 ICED COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1301408659 XIMPHQVAEGUQGQ-MOPGFXCFSA-N 429.477 0.996 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]2CCCO2)cc1 1321776733 MOUWVMXFWCJKRW-CVEARBPZSA-N 441.531 0.031 30 20 ICED CCOCCC/N=C(/NCCn1cncn1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1336675361 FICBFGNHEKOOJO-QGZVFWFLSA-N 427.575 0.150 30 20 ICED CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1503106103 WPCUPAQPFTUPHG-UHFFFAOYSA-N 433.538 0.562 30 20 ICED CO[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCOC1 1504055468 MVVIURLJDIBFCY-RKVPGOIHSA-N 442.542 0.012 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 1541106659 ZWSOHDFSWSJOHK-QWHCGFSZSA-N 432.572 0.309 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1=O 1554363994 VQPZQAVFAUGWCO-UHFFFAOYSA-N 432.506 0.442 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1555583244 TZHFPJYZLZWBSK-UHFFFAOYSA-N 439.520 0.444 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617428774 OOZIUSSZIBIDMQ-ZYSBOAIWSA-N 442.549 0.591 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1706070783 NZHYTYXMNWZWER-KGLIPLIRSA-N 425.559 0.933 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1706864854 RCLQUZBWCMPODM-CYBMUJFWSA-N 444.583 0.453 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1752389641 YHKPENFJLVHTQC-MGPUTAFESA-N 447.517 0.503 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)n1 1762459083 KRDCHVBZKOPOPN-SFHVURJKSA-N 428.541 0.979 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1768293683 NCKZDJRPQOMPRY-CRAIPNDOSA-N 448.549 0.996 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779557930 OZAZTJLZPCSUDD-DBXWQHBBSA-N 431.493 0.165 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)no4)C3)C2)c(C#N)c1 1779676872 GKKGBZRSXIGWLT-OAQYLSRUSA-N 426.429 0.947 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300310 NGZMTVUXEFEDOJ-NYHFZMIOSA-N 445.495 0.777 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cc5cncnc5)CCO4)C3)c2c1 1782191901 BCTKCVRBFIKQRX-JOCHJYFZSA-N 431.456 0.911 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cncn2)C1 1782530671 DRXQVESKNWVINB-CBGDNZLLSA-N 433.509 0.862 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604200 ASHDDYOQROPQEW-KNTRFNDTSA-N 426.517 0.995 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614586 AUSHNJCJPBFCAZ-IEGUWTFLSA-N 449.548 0.990 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1784485442 LYHOBQNYYWJYNY-RMRKRWHISA-N 429.502 0.718 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643865 FAZGTNAJQDUZKK-FHIRATQRSA-N 433.465 0.569 30 20 ICED C[C@@H](S)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 1791263872 PZZDPJLOFLVESS-YXMSTPNBSA-N 445.582 0.560 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)c1 1791395837 HGAZBHIPCHPQOA-WDSOQIARSA-N 436.468 0.385 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2 1792490320 WKGYOLYHGABNJG-YOEGPNAJSA-N 429.502 0.686 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)c1 1792828606 NNNKRLWJUZOXTM-OPMZPASUSA-N 436.468 0.793 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1793753838 PCLOCEQCGYUDSB-GJPOJAMWSA-N 439.512 0.576 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CC#N)C2 1795083657 MVWHQCMYYUPKFS-ZXFNITATSA-N 429.477 0.125 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(N4CCOCC4)n2)C3)CC1 1795410359 VCUXKWROQURNTD-HGKCTWBKSA-N 425.489 0.425 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)c1Cl 1795635058 NADQFGQEJNQDQH-ZFHGCVPZSA-N 433.896 0.008 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1796335040 BXWSECIEVNIEJK-DFGXFYAUSA-N 436.509 0.516 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797775797 JZAHKCOMIGVTNW-HPULZWPISA-N 446.508 0.396 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)C3)c1 1798694131 FDEYPJGUJCYXOY-WNSDDWSPSA-N 425.489 0.491 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)c1 1798858656 KOVULUPLTXWADK-CEQLMSFQSA-N 433.468 0.586 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281469 MQSCCDZRCDJYAA-DLTLXFJOSA-N 438.506 0.301 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803343185 WYAIPASZKMTQQC-LRJKKDHCSA-N 441.488 0.398 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668457 FSOQNSRWPTYURE-VHSXEESVSA-N 444.477 0.086 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817359321 HTWAOPCDGKKDJR-DZGCQCFKSA-N 432.529 0.276 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1819716133 FYVYYIAQPRFYFY-MFKMUULPSA-N 438.506 0.171 30 20 ICED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)c2cccnc2)CC1 1825092206 NMDUTKYOFMPWOQ-GOSISDBHSA-N 426.473 0.519 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3sccn13)CC2 1825667182 NZEKTYVVMPZHPK-VIFPVBQESA-N 443.466 0.526 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1828884342 YBALCUDHJUBVKA-ULQDDVLXSA-N 434.537 0.777 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1829266780 GGIINUSJHIOEOA-HSZRJFAPSA-N 449.467 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1829765528 YZRPAEVOWRXKFB-XSFXMOAZSA-N 443.500 0.035 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1829770239 GJKNBTBNFSLBPY-VKUXZERMSA-N 448.907 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)c3ccccn3)C2)C1 1829773154 CAUJJRULTNECBW-VQLQEPDVSA-N 442.516 0.500 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831496638 ZQSCOFIOZPDQJV-YLJYHZDGSA-N 440.518 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCCN3C)CC2)CC1 1833074298 HQLLWUKUVFQRLH-GIWCCYDRSA-N 445.608 0.901 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnc[nH]5)CCO4)C3)c2c1 1834106346 QPDOMRRLUJNBLG-OAQYLSRUSA-N 435.444 0.541 30 20 ICED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C[C@H]2C[C@H]21 1834755713 JSNGIFBJTOOZMX-PEOGOYOCSA-N 448.520 0.754 30 20 ICED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756303 SKPGDWURTHHPCP-JOCHJYFZSA-N 448.520 0.924 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)n1 1835344812 WYVKGRKLSLLDBT-JOCHJYFZSA-N 443.504 0.047 30 20 ICED CN1CCc2cc(C(=O)NC3CCN(C4CCN(C(=O)C#CC(=O)O)CC4)CC3)ccc21 1835382314 LAGQYGCBIRLWQP-UHFFFAOYSA-N 438.528 0.952 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1835984692 KPBVUFVWNJRQPO-XMMPIXPASA-N 436.512 0.861 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837011960 XQLRLKOGKUJSQM-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1837310763 XUIAJOKGLYVBIQ-HMFYCAOWSA-N 436.553 0.919 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837391319 KMUAWOVBESIECR-LAUBAEHRSA-N 441.594 0.065 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1837398831 KLVKFVVXSKUJQO-GCJKJVERSA-N 433.505 0.733 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)cnn1C 1837524254 DDZGGZCIBYLTSS-OMJZWIOZSA-N 449.508 0.328 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1837655906 FREYOEWTIPMSKR-JOCHJYFZSA-N 445.520 0.293 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1837658998 JVJNEUMVOZXUIX-MGPUTAFESA-N 438.550 0.062 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1ccccc1=O 1837689431 XUGVGRQFJXHXPH-AOMKIAJQSA-N 439.472 0.379 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837767622 BFALIHOVAGNLIX-OAQYLSRUSA-N 435.427 0.727 30 20 ICED CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)co1 1838134867 HSKQMUWQWSIGEE-NRFANRHFSA-N 433.509 0.589 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838581748 MSFWTRGVLWVOBP-SIKLNZKXSA-N 430.505 0.635 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c1 1838584809 HMTLKSPGMSYZTN-QRQCRPRQSA-N 444.488 0.161 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)c1 1838585085 XLCRAADQUQLQNL-QFIPXVFZSA-N 444.488 0.163 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620335 ILWMESXGMLIAFE-LPHOPBHVSA-N 437.537 0.217 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)cc1 1838949906 CIGJWRCNOYYQGI-FQEVSTJZSA-N 427.486 0.981 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1 1839226260 JWBWKQUEGRULKL-IIBYNOLFSA-N 449.508 0.746 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1ccnn1 1839363875 ZIAIUKKKJPVUBG-VGSWGCGISA-N 438.488 0.675 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1839496482 LZNLMVFPGFEEAW-FQEVSTJZSA-N 446.847 0.374 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807819 GREGQRZLAYYIJV-NHCUHLMSSA-N 439.484 0.425 30 20 ICED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)OCC 1840281691 INWTURMJYQZSAQ-OAQYLSRUSA-N 434.493 0.746 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 32439549 KJRBBELBXAIKIK-UHFFFAOYSA-N 435.531 0.384 30 20 ICED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)nc1 57829014 AJPLFTKOWHYVBH-UHFFFAOYSA-N 428.518 0.904 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 409533283 DLVSGQGIFXKVGG-HNNXBMFYSA-N 425.536 0.591 30 20 ICED COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409562453 QUKRTIDMUHLRIW-NVXWUHKLSA-N 429.520 0.153 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429601789 AOKQXCGZCRWOIT-DZGCQCFKSA-N 438.506 0.378 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 440372473 FFGLRCIMAXGTTF-CQSZACIVSA-N 444.513 0.455 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](CC)CN1C(C)=O 441233109 MPCNFJRUWKNBMY-RTBURBONSA-N 437.504 1.384 30 20 ICED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CC1 441922078 LMTCRUBOPFZKDR-MRXNPFEDSA-N 427.505 0.838 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441941884 MUISSPVMXFPHIA-NVXWUHKLSA-N 440.525 0.140 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)CC1 445769456 ZNYUKLBVALCTBT-DLBZAZTESA-N 433.534 0.025 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCC[C@]5(CCCCO5)[C@@H]4C#N)CC3)ncnc21 447903879 OLSDZVRBUKXBEN-PGRDOPGGSA-N 438.536 0.939 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccc(C#N)c3=O)CC2)cc1 467204808 FLFDIVWRFJSESA-UHFFFAOYSA-N 430.486 0.652 30 20 ICED C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCCC1)n1cnc(C#N)n1 467266860 AJLQHCPDEIOPDT-IIAWOOMASA-N 438.496 0.616 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 483124337 WGSMJVOTGCKSEN-UKRRQHHQSA-N 447.469 0.510 30 20 ICED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(CO)CCOCC1 484654708 MRGRJPFVNCREEL-UHFFFAOYSA-N 429.477 0.928 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC(F)F)c2)c1=O 489048649 CJVPPQZKXVYTOL-UHFFFAOYSA-N 435.452 0.963 30 20 ICED CSc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1 489174396 XDYZUMIMPONPGI-UHFFFAOYSA-N 444.582 0.120 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 504528478 WPRCDDDHYITRNU-GOSISDBHSA-N 440.504 0.432 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 507062562 WFNBPYVBCXPSFA-ZDUSSCGKSA-N 436.412 0.834 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)O1 513564985 CJFXBMSIBMMVCT-WBMJQRKESA-N 428.424 0.574 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514030247 CPRWBLMTFPBJKR-BVZALQNUSA-N 438.532 0.984 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 533450656 XQLVZCXWALVURD-UHFFFAOYSA-N 436.515 0.867 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 540380555 OPWBHSAEJLKKGR-LBPRGKRZSA-N 436.411 0.139 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C[C@@H]2CCCO2)c1 549881023 CCBXKZWGXGIOQH-SFHVURJKSA-N 448.491 0.331 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2=O)cc1 552590547 NRBBQCDREITZNO-LJQANCHMSA-N 439.516 0.684 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)c(F)c1 557398174 ZUSBHFXXNYRWBQ-GOSISDBHSA-N 429.496 0.527 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O 589161649 WOTAFLNYABMJQK-LBPRGKRZSA-N 439.584 0.639 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1 589453894 GSDWGZGKRCAAJK-UHFFFAOYSA-N 425.463 0.566 30 20 ICED COCCN(C(=O)CN1CC[C@@](F)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 615646639 SSERWQKBJFSJMC-OAQYLSRUSA-N 444.467 0.496 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1=O 726042830 MUVRXRZPNLBOMF-ZDUSSCGKSA-N 430.392 0.981 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn(C)c3)c2=O)cn1 726180188 BRMXCWXBQMEBDK-UHFFFAOYSA-N 437.529 0.411 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 728534362 IAZRAOGJLNBKFP-GOSISDBHSA-N 449.349 0.910 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732908575 OVAFXORYBDTNKO-CABCVRRESA-N 437.905 0.654 30 20 ICED N#C[C@H](C(=O)CN1C(=O)COc2ccc(Cl)cc21)C(=O)N1CCS(=O)(=O)CC1 732908585 OYOWTJRANOTUFE-GFCCVEGCSA-N 425.850 0.031 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CCC(N)=O)n1 735477712 UGEQMZAQPXAGHS-AWEZNQCLSA-N 432.506 0.995 30 20 ICED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 741443411 SSLMKCJNPNOPIQ-SJLPKXTDSA-N 447.513 0.270 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742522281 OSUHTGKAEJPIRT-OAHLLOKOSA-N 441.513 0.883 30 20 ICED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCC#N)CCN3CCOCC3)C2=O)cc1 749378664 FQSUTAXVSIFRIE-JOCHJYFZSA-N 427.505 0.837 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCCSC 753359503 SHJLNBGHIMADMX-UHFFFAOYSA-N 446.554 0.583 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766050942 GOIPEAPZRFDROJ-UHFFFAOYSA-N 429.414 0.528 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 766053254 RWKOBNFPGMZGBX-NSHDSACASA-N 427.398 0.789 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3cncs3)c2=O)cn1 767882804 HOTFZVHVKFZOAT-UHFFFAOYSA-N 444.542 0.228 30 20 ICED C#CCN1CCN(C(=O)CN2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)CC1 775862699 GUZGYCUPDDVEBM-LJQANCHMSA-N 449.596 0.649 30 20 ICED C#CCCN1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 776594434 GIKWPJFJBCAHQT-FQEVSTJZSA-N 432.590 0.857 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 779079976 VCXWKTGAUJFUQT-VXPUYCOJSA-N 434.518 0.964 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 782996316 HIAWCCHVWGYZNP-UHFFFAOYSA-N 445.563 0.249 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)[C@H]1CCS(=O)(=O)C1 783478567 FOALDBZUXYJJLJ-HNNXBMFYSA-N 443.481 0.280 30 20 ICED CC[C@H](NC(=O)[C@@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787044888 IDXJOTPRTCCOKD-HOTGVXAUSA-N 436.472 0.800 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3ccc(C#N)o3)ncnc1-2 804988083 FJQAOWLRZBLQGO-UHFFFAOYSA-N 426.256 0.354 30 20 ICED CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cnccc2C#N)cc1)S(C)(=O)=O 805195678 ZAIBDGSPEYNRDZ-UHFFFAOYSA-N 438.487 0.488 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 809325841 AYIAYEJGTJUFGT-UHFFFAOYSA-N 434.500 0.943 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 811251820 IKCWYENVMHXQDQ-UHFFFAOYSA-N 430.442 0.770 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 914831698 BGEKBNRTCZUVIB-HXUWFJFHSA-N 440.525 0.583 30 20 ICED CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916311719 PMEGZXYAOXEXED-CQSZACIVSA-N 428.536 0.807 30 20 ICED N#C[C@H](C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917014108 SVRDSZSKLFTMDA-WMLDXEAASA-N 434.474 0.777 30 20 ICED CN1CCN(c2cc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccn2)CC1 918059552 YRHUHXKRFBHOGY-UHFFFAOYSA-N 428.518 0.188 30 20 ICED COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OCCO 919219398 RGRNMFBAGNQTLL-UHFFFAOYSA-N 444.444 0.740 30 20 ICED CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 919547793 AXJNIVYLOHZHNY-CXAGYDPISA-N 445.501 0.907 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1296289019 PXCHBXVADASGTP-UHFFFAOYSA-N 434.508 0.252 30 20 ICED CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299253166 XJPWRZHKBMONLS-OAHLLOKOSA-N 427.513 0.158 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1359151091 MWVZQFAPKUYIPR-HNNXBMFYSA-N 446.961 0.422 30 20 ICED CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1508768330 IQRSXRMEGQPPJF-UHFFFAOYSA-N 445.549 0.671 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1517124757 KOLQAQPTHNEYOC-MRXNPFEDSA-N 426.506 0.865 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1=O 1555584875 OZZNCSZNFWOMDY-GOSISDBHSA-N 426.477 0.527 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596831999 RVYXMPUYCVJYML-QLFBSQMISA-N 444.583 0.058 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1617341745 PHPFFZGOULJOQO-GOSISDBHSA-N 441.533 0.628 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1619553857 GARSQXKICVTQPY-QFIPXVFZSA-N 440.504 0.700 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(CCC#N)CC3)c(Br)cc21 1665598074 IJHKKCFZQYMHRC-UHFFFAOYSA-N 442.339 0.859 30 20 ICED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1710328670 ILGQNUCTAWYVMD-UHFFFAOYSA-N 438.536 0.599 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760696932 VLAOKFIUPMYXSR-IAGOWNOFSA-N 439.586 0.693 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829941 VOCRJFGRVXNEKI-YPPIZSGTSA-N 443.464 0.097 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1777986984 CEACHMLWXMKTSX-YCRPNKLZSA-N 444.513 0.546 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)n3)C2)c1 1778018044 DBYFYCFFUQRWMS-FOIQADDNSA-N 426.433 0.529 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nc4ncccn4n3)C2)c1 1778588315 PRPGMPWRAMEKGO-IIBYNOLFSA-N 434.460 0.765 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c(=O)[nH]c1C 1779015697 BKWRNDAUTRQULH-XZEIMLRBSA-N 430.509 0.302 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1779074899 DRVAWQCFYBGGBZ-PANKSDBESA-N 437.562 0.935 30 20 ICED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104553 BGGRHFCOUCOKSO-YCOAYHBDSA-N 429.539 0.459 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1)C2 1779558484 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ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631563 NEXPZHJRMOHBIW-XSLAGTTESA-N 434.537 0.112 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788743421 VAUVGVOSJRCLRV-ONMOMLBCSA-N 435.569 0.743 30 20 ICED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789249649 DJGUCVQVSQLRFN-SNRMKQJTSA-N 429.473 0.733 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790224459 HPKDHYMJYFSXAI-IKICRFKJSA-N 431.468 0.738 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1791268159 UUPAYYNXGZAEKC-DWRORGKVSA-N 427.505 0.378 30 20 ICED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791278360 YDYNPOCNNALXQR-NXOAAHMSSA-N 425.526 0.818 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CC)C[C@@H]21 1792255343 IVUKTCHEBJVCJF-JCECYMMASA-N 437.537 0.654 30 20 ICED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1793262420 IUOXMROVNFHDGN-HGKCTWBKSA-N 437.456 0.295 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)C2 1793344506 BCTHUNMNKPVGKW-HOXSDCPRSA-N 445.491 0.572 30 20 ICED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)cc1 1794266099 QTTMLGPUGZKREI-XEMDLRDOSA-N 433.468 0.498 30 20 ICED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811186 KJSIMCJISMUEJY-NOCQWTTGSA-N 449.508 0.262 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967221 CILQGTBETINRTR-KRXQYRFLSA-N 429.521 0.842 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800029440 PVJJAKYJSITCET-HGKCTWBKSA-N 439.516 0.666 30 20 ICED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)ccc1F 1800130747 DKEFKPKDCMSWJB-MUJYYYPQSA-N 427.436 0.430 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC2(CC1)OCCO2 1800381467 YSZGNCYQACISMG-YYWDGARSSA-N 447.532 0.368 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2)C(F)(F)F 1800549306 WZNCOZYVKNNEGF-MIFYACCESA-N 426.395 0.520 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1800980322 FJOZMEPVRPHFHB-ZTENYAIWSA-N 445.541 0.971 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C 1801244836 MOJHPFDQFLPDGS-KPEUIFRASA-N 431.493 0.068 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1802017808 HRGJKEUFVOZWDX-IZZQQSIFSA-N 449.548 0.751 30 20 ICED C#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]1CCOC1)C2 1802126226 JHTZCKYPKFGTFQ-AVEIZBFRSA-N 435.521 0.529 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)CCC#N)[C@@H]2c2cccnc2)CC1 1806866838 PQGMMEODKSZDFA-UGKGYDQZSA-N 426.521 0.555 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](COC)NC(C)=O)CC1 1823748692 YMPSQROYLQBQKQ-MITRTKIPSA-N 448.564 0.616 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)cc1 1829630838 CLINAXFDIHROPW-JOCHJYFZSA-N 439.472 0.690 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1829762245 ARBRSTQXVGUFFE-XBKFQHLESA-N 442.516 0.247 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1829764829 AIGJRLGYRUPDNL-QEVIJRNUSA-N 432.477 0.165 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n[nH]1 1829904317 OOMOJVHDCLOYOI-QHCPKHFHSA-N 437.500 0.831 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830056467 AGYKDWGHMAEDTM-AUSIDOKSSA-N 426.517 0.707 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1831438023 KAXUIBPAXUTCRK-BLIXFSHQSA-N 425.526 0.339 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831999012 WQZWLTUAOFSNNA-KKSFZXQISA-N 436.509 0.826 30 20 ICED COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1833768560 KIMKWBWOVLGKJB-IIBYNOLFSA-N 434.493 0.961 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C(=O)O)ncn4)CC3)CC2)CC1 1834600094 TWOCXAIHVNVZNL-UHFFFAOYSA-N 426.477 0.664 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321691 BIYVLWWQRJQVJY-SFHVURJKSA-N 437.378 0.956 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)cc3)CC2)CC1 1836620326 AXHDSULOVHWALC-UHFFFAOYSA-N 430.457 0.858 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1836846234 NNPDRBFGIALWRC-SFHVURJKSA-N 444.594 0.993 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160583 QGGQVKOHWBBYMH-WMZHIEFXSA-N 442.516 0.977 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320372 XZXXRIKNLSRQIC-OAHLLOKOSA-N 444.353 0.760 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)no1 1838950093 BBRBSAWTCGSZTI-OAQYLSRUSA-N 425.445 0.562 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839228856 QYAMKHOMHAJHSS-OPAMFIHVSA-N 446.504 0.656 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)CCO3)C2)CC1 1839273598 SJJLNWQMGIVHPN-FQEVSTJZSA-N 430.417 0.674 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1839724397 YPNGOEQQMBFEDW-QFIPXVFZSA-N 430.480 0.527 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840008844 NPRXFHHRQRGXTG-NPFVIJTESA-N 448.520 0.613 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840161490 REUAZZRSNOTZCZ-BMSLLPBFSA-N 437.518 0.227 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840198164 LKEKZGZWNAJKFD-NQIIRXRSSA-N 433.530 0.742 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840842001 HYNKJBBMXRHCTK-JOCHJYFZSA-N 426.473 0.539 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1841601200 LHVWGASBSZJJNT-LJQANCHMSA-N 440.537 0.314 30 20 ICED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154322 MPFGZNVNYYRZSH-CQSZACIVSA-N 430.534 0.701 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846001493 RGFSXSNYTASVPS-SMASLZHESA-N 432.521 0.795 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1847806879 ZBTIMTGHAVBRLS-DFBDCSAJSA-N 435.521 0.454 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848214936 WKJRWIJBMXHVBH-COXVUDFISA-N 442.520 0.476 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C1 409545595 ZIFLOMQTHTTZKR-IXDOHACOSA-N 448.615 0.445 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 409561035 IONZRZJCJCMRHR-QGZVFWFLSA-N 429.587 0.263 30 20 ICED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 437119800 ZQAKJSMRWMWCMJ-YADHBBJMSA-N 439.560 0.761 30 20 ICED CCOc1cc(NC2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)ncn1 442574893 APOVNIAJFVGKKU-UHFFFAOYSA-N 426.481 1.336 30 20 ICED Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444508017 QILQLLPPQLYIII-UHFFFAOYSA-N 433.266 1.561 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 460615403 SAWHAZPMFVAFIR-UHFFFAOYSA-N 427.428 1.283 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 460954290 CDZWYVRONQXYLG-CABCVRRESA-N 449.599 0.494 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461368234 WQRURZUGCZTGCW-INIZCTEOSA-N 438.509 0.608 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 467612845 KAGRSOKKQXUQDB-YJYMSZOUSA-N 435.506 0.993 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 473844324 SGJJPENJPNBKKZ-GOSISDBHSA-N 430.472 0.836 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C 477192942 XVRBDAIJPCLOJQ-UHFFFAOYSA-N 434.449 0.540 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCN2CCOCC2)n1 481786043 JYSPBSWMDNXBNZ-HNNXBMFYSA-N 432.506 0.392 30 20 ICED Cc1nc(S(=O)(=O)N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cn1C 486133825 CWMHLBAKHXNGAU-HNNXBMFYSA-N 434.547 0.774 30 20 ICED C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 498924379 LFKAQGJFHFJSEB-SJORKVTESA-N 443.548 0.881 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCOC2)c1=O 505657160 CPDSPIHSCBBAGB-GJZGRUSLSA-N 428.514 0.097 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 506477910 PPDNAZXSYNBYFZ-UHFFFAOYSA-N 437.456 0.815 30 20 ICED CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508679013 PDUZYDFAMQZNSH-IBGZPJMESA-N 426.521 0.905 30 20 ICED COCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCS(=O)(=O)C1 518690719 RVNYDGHFMJBVGH-OAHLLOKOSA-N 429.520 0.073 30 20 ICED N#CCCN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 521051396 GWTZFRSLAGOHNY-UHFFFAOYSA-N 427.486 0.758 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)C1=O 522939112 DDYMMTSXQRBZLS-UHFFFAOYSA-N 442.476 0.818 30 20 ICED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 525690509 HAOLHABLGSFXFX-HNNXBMFYSA-N 444.531 0.343 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546197219 IIIFYMXACQJOCN-UHFFFAOYSA-N 442.501 0.457 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 561414538 GRFQJNMYGLDJPM-CTNGQTDRSA-N 447.624 0.982 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 579275770 NTDNHBIZQIVLDM-WZONZLPQSA-N 440.500 0.572 30 20 ICED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 588363241 MKBNIIATTTXNNZ-UHFFFAOYSA-N 429.296 0.799 30 20 ICED Cn1nccc1[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588871282 SCCKXBHUIJPIBJ-OALUTQOASA-N 434.500 0.915 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 590897603 FONDLCTWKSQMOJ-ZDUSSCGKSA-N 428.470 0.658 30 20 ICED CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119909 RKDLIJPDVQBRNM-UHFFFAOYSA-N 447.582 0.999 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)cc1 609939985 CPEGBCVSSZXPHK-UHFFFAOYSA-N 440.485 0.697 30 20 ICED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 611409202 JQNGIBWDPWHSLB-CVEARBPZSA-N 425.580 0.471 30 20 ICED N#CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 611644622 PZXSAPPWIYOUQA-WBMJQRKESA-N 447.344 0.785 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1Cl 619837854 WDQAVTQCUKMBBR-UHFFFAOYSA-N 430.852 0.522 30 20 ICED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2)CC1 728573538 ZHOVCQHCYJWXOI-NRFANRHFSA-N 439.516 0.225 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 729257162 UVWXRAIMVHNHFK-UHFFFAOYSA-N 432.546 0.272 30 20 ICED N#CCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 731234818 QHPWBPUNGSFFOG-UHFFFAOYSA-N 446.279 0.267 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 734040819 SSPRUQIOTRNORE-CQSZACIVSA-N 442.453 0.740 30 20 ICED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1F 735867196 SOUVYYJMTPYGAT-AWEZNQCLSA-N 430.483 0.364 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccn(C)c2)C1=O 748096763 WQCYGCUKSVYWFU-BWORXHKJSA-N 449.558 0.809 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 750421083 PFAZQDOHCWWPJI-UHFFFAOYSA-N 449.510 0.839 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C#N 752406466 XIZYJNBIMXYWNL-QGZVFWFLSA-N 443.460 0.961 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 756464977 PZRUQTHVONNEKU-JTQLQIEISA-N 425.854 0.794 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 760836696 IZRFXJGHAHMDLE-QWHCGFSZSA-N 446.489 0.355 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CC1 767764145 VLYVZMYJBIAOGK-INIZCTEOSA-N 439.509 0.297 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 772633493 BUIWLCDVNSLDDR-UHFFFAOYSA-N 443.953 0.811 30 20 ICED C#Cc1ccc(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)cn1 773643354 FIOZXKTWEBBDST-UHFFFAOYSA-N 437.499 0.597 30 20 ICED C[C@H](CC(=O)OC[C@@H]1CN(c2ncccn2)CCO1)/N=C1/NS(=O)(=O)c2ccccc21 774631281 VFELSFVFZWPUJY-CABCVRRESA-N 445.501 0.742 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 776593455 XHRIUVWGACMNPH-UHFFFAOYSA-N 445.010 0.875 30 20 ICED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789618384 BTIJOKFSXDPOKW-GTMGWDBPSA-N 437.522 0.421 30 20 ICED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)n1 789793839 QWXJEUDAYMGGFW-UHFFFAOYSA-N 447.517 0.762 30 20 ICED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 792454004 YGULJOXTFIJXNZ-OAHLLOKOSA-N 437.518 0.963 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794599459 ZIRFXTPYOHTDPH-OAHLLOKOSA-N 444.513 0.095 30 20 ICED CC(=O)N[C@@](C)(C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797514731 HXCWHSVJUVNTCA-BFUOFWGJSA-N 435.502 0.936 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)[C@H]1CCCO1 809310972 FCHWOEOGHLPPSO-ZWKOTPCHSA-N 445.516 0.654 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)ccc1Cl 813983555 BWSWWBIVWBXVGR-UHFFFAOYSA-N 428.879 0.976 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249541 RGECMPSRJIIFPP-UHFFFAOYSA-N 437.472 0.213 30 20 ICED COc1ccc(CCn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 837426306 CLQPNWFHPNSGFV-UHFFFAOYSA-N 449.536 0.676 30 20 ICED C=CCNS(=O)(=O)c1ccc(Cc2nc(-c3cn(CCO)c(=O)nc3O)no2)s1 904848492 FCZLFJFHHDHKDX-UHFFFAOYSA-N 439.475 0.108 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CCOC 916200448 AJVFTDPVOKQHAH-UHFFFAOYSA-N 448.888 0.923 30 20 ICED CC(C)NC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 916945316 MCNRFSDKUHNSBP-QGZVFWFLSA-N 434.518 0.533 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 918608601 LMVLEBUAMBVHQF-CAPFRKAQSA-N 443.551 0.353 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1302481019 WVJRXPHEUQAIQE-CVEARBPZSA-N 435.554 0.783 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 1319874214 ZKMFOORIXIYKCM-UHFFFAOYSA-N 448.426 0.319 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1326382405 GZEFSCKSIMPEIO-PKOBYXMFSA-N 441.532 0.597 30 20 ICED CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1359638021 JLZXNIGGGQOIAF-KDOFPFPSSA-N 425.559 0.791 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1583693493 LIBGEYFIMORJGF-MRXNPFEDSA-N 445.549 0.602 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1618578307 VSSIIZGQFVODRG-JOCHJYFZSA-N 437.504 0.638 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)OC 1697758313 ZCYDHAKAAUAQNE-GOSISDBHSA-N 428.493 0.773 30 20 ICED CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(=O)(=O)CC)CCOC1 1728804442 LYEWLXOPXAFGTJ-MOPGFXCFSA-N 440.570 1.000 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1749830679 OQJQODJGDJFDNY-HNNXBMFYSA-N 434.522 0.999 30 20 ICED CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1766871145 UXPSMRYDCVFJLT-LJQANCHMSA-N 449.512 0.726 30 20 ICED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1768318384 NAFCVFDYPDJNFR-SSEXGKCCSA-N 430.534 0.880 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1778821048 NSQINPSHZQLLNX-VDPXPTJFSA-N 429.539 0.504 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1779062046 BPBSFDCNUWFVGR-QFIPXVFZSA-N 428.489 0.754 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1=O 1779099183 BGLROBOPKBEQRD-ZGYKXIANSA-N 432.477 0.358 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419584 CBIIZJXYSYVKAN-AFYYMGMLSA-N 438.525 0.541 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181624 BOYJURCYUFHTGC-TYCQWZJGSA-N 432.477 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N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840819977 RKQZIVSUVWEXKP-HSZRJFAPSA-N 449.467 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843216434 HEFKOWILWVUFPA-UHFFFAOYSA-N 449.529 0.953 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)cn1 1844258990 SILHCTKHPZWJAD-YDZHTSKRSA-N 447.561 0.915 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 430388019 XBKUVNIZYKFFLK-TZIWHRDSSA-N 434.581 0.877 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435640489 AADCFADXOYXBDV-UHFFFAOYSA-N 426.470 0.535 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)C1CC1 441912555 UFJYBXBJTPKUGG-KXBFYZLASA-N 426.473 0.790 30 20 ICED C[C@@H]1OCC[C@]12CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CCO2 470941279 URZCUWUTLSFJIR-UWJYYQICSA-N 448.545 0.271 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)cc1 477016343 AKLICQLYUBMTDK-HXUWFJFHSA-N 449.577 0.874 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccnc4)CC3)C2=O)cc1 477127096 QFUGCPPADNMKFE-SFHVURJKSA-N 425.470 0.592 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 478847850 KHRUKIORWQJYRG-GFCCVEGCSA-N 428.495 0.901 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 478862951 XUJIERJWJPPTNQ-HUUCEWRRSA-N 439.493 0.910 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)c1 479098728 IKWDTRGFNBXAPT-UHFFFAOYSA-N 425.470 0.570 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480938060 QMBSXWIWHXZJQI-UHFFFAOYSA-N 439.453 0.067 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 480941024 XEGCMFXHRJDEDK-UHFFFAOYSA-N 443.466 0.721 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482199306 OFADHGUOIFZXCK-GFCCVEGCSA-N 428.474 0.907 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 482406980 OGMZMUYVJIDUAN-CZUORRHYSA-N 430.490 0.270 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 486073607 MRTQVIIOSVFWSC-ZWOKBUDYSA-N 433.578 0.709 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1=O 487684422 AIGNEHDQQHPBLU-QGZVFWFLSA-N 425.489 0.186 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)CC1 488304473 IFVWKOBOHWXPFD-UHFFFAOYSA-N 436.488 0.999 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 488632986 QZBVHPDOCDBPJJ-QGZVFWFLSA-N 446.467 0.604 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 489339317 XXHOTQRJKRZSQV-JMJMXGFTSA-N 449.558 0.774 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C#N)cc1 498377496 VBCNNKRUQJAWGM-GOSISDBHSA-N 435.527 0.956 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccccn3)c2=O)CC1 516828567 SYKXDZHJCKXWEO-UHFFFAOYSA-N 449.536 0.984 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 524337852 YWANFPOWMVMDGU-UHFFFAOYSA-N 446.532 0.909 30 20 ICED N#CCCN(CCN1CCOCC1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 531382141 CIUCKRDVZDOKIA-IBGZPJMESA-N 426.583 0.493 30 20 ICED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 538600233 YRUOPHQNODJIAV-UHFFFAOYSA-N 427.479 0.275 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 539916544 LXLGPTNRDYQSIC-YVEFUNNKSA-N 441.469 0.614 30 20 ICED COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 558040023 AYBHFHSYSNBRFX-OAHLLOKOSA-N 439.520 1.048 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 573133586 CLDIETXEXHYONV-MSOLQXFVSA-N 444.488 0.171 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)C1=O 575766851 HRGWKQYTEXNHDX-PMACEKPBSA-N 427.549 0.337 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 579145395 BXYNNPYMBYKSLE-INIZCTEOSA-N 439.438 0.728 30 20 ICED N#Cc1c2c(cn(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c1=O)CCC2 581647062 SDLQHOISLHMSRC-UHFFFAOYSA-N 442.497 0.868 30 20 ICED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 583788517 LETVQCXOVASWIA-UHFFFAOYSA-N 436.515 0.876 30 20 ICED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)nc1 588126853 SXJVIVNWXWYNMM-UHFFFAOYSA-N 428.493 0.011 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157095 KVFJOGODKLTSEM-UHFFFAOYSA-N 431.473 0.716 30 20 ICED CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)n1 591613943 BYARROYUYHTVSD-AWEZNQCLSA-N 441.531 0.884 30 20 ICED N#Cc1ccc(N2CCN(C(=O)c3csc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 604195398 BIENLLLICDQVOJ-UHFFFAOYSA-N 447.542 0.998 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087166 AXJJIKLHNHTAKD-GFCCVEGCSA-N 430.433 0.886 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cn2)c1 615057527 YWMSKVFMWJGUEH-MRXNPFEDSA-N 444.469 0.692 30 20 ICED N#C[C@@]1(F)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 615524583 ZRFVWNIQUVFDEM-BBRMVZONSA-N 430.483 0.621 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618593908 SBCFHSZMMWHOLB-UHFFFAOYSA-N 431.540 0.157 30 20 ICED COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1-n1nnnc1C 726515215 YUEXYBIJMQSADF-UHFFFAOYSA-N 427.446 0.657 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 727163882 GAMZQXPKAWTGOK-UHFFFAOYSA-N 442.932 0.956 30 20 ICED N#Cc1ccc(S(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1Cl 730405318 HPGLAJNJSXNCCL-UHFFFAOYSA-N 426.863 0.514 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCS(=O)(=O)CC1 731861224 QDGONIBGOJTZII-HNNXBMFYSA-N 427.548 0.931 30 20 ICED C[S@@](=O)CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 741295836 IJVIPONCOSAJKB-HHHXNRCGSA-N 426.564 0.028 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CC1 747774830 ANMGHVFYNRTPDR-UHFFFAOYSA-N 448.413 0.749 30 20 ICED COc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 749275054 REKARODCQZBJMW-UHFFFAOYSA-N 431.470 0.747 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nncn2C2CC2)c1 750650736 JXDMBXUSDAILCQ-JLPGSUDCSA-N 445.505 0.681 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)[C@H](C#N)C1 754379604 MHJIVQBZQPIESG-XPLWTBFPSA-N 432.477 0.510 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)nn1 761012325 RDKWLAYIZGYJGD-BFHYXJOUSA-N 433.469 0.780 30 20 ICED C#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 764587591 IGLKKBVUKGDGET-UHFFFAOYSA-N 442.335 0.812 30 20 ICED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(-c2ccc(C#N)cc2)c1C 771889916 CFKXDTKGFZHRMY-UHFFFAOYSA-N 441.473 0.152 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(F)cc1NS(C)(=O)=O)c1cc[nH]n1 772517271 HOXYRIACLVRLLX-UHFFFAOYSA-N 427.414 0.843 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1C#N 775199601 XLSZENVMXWMALL-HOCLYGCPSA-N 431.449 0.817 30 20 ICED C#CCC[C@@H](O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 799078813 LHWLAVBQPMLKAU-LJQANCHMSA-N 449.573 0.807 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccc(S(=O)(=O)N(C)C)c1 804390101 WGMSLRWRLPDXHN-CQSZACIVSA-N 444.517 0.609 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807936534 OJCRFBJEAJREPH-RSQHXVMDSA-N 438.575 0.885 30 20 ICED CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 808291027 CIMWSJPYYQNVER-MSUUIHNZSA-N 427.504 0.675 30 20 ICED COc1cc(OC)cc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810366593 LUYQNSFDXYDRSP-SFHVURJKSA-N 436.428 0.944 30 20 ICED CN(C)c1c(COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(=O)n(C)c(=O)n1C 814062315 HCZSEMFNWAUUDG-UHFFFAOYSA-N 448.501 0.584 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814251711 QAHBNSSTKHPPOB-AWEZNQCLSA-N 432.452 0.503 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 838262392 CKOOIXNAKCZZEC-UHFFFAOYSA-N 449.536 0.867 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3cccs3)c2=O)cn1 839327468 PNMDMNSVOUFWDA-UHFFFAOYSA-N 425.539 0.879 30 20 ICED C=CCNS(=O)(=O)c1cc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)ccc1F 904860890 LOOPISGJBUPFKS-UHFFFAOYSA-N 437.409 0.262 30 20 ICED N#Cc1ccc(C(F)(F)F)n(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1=O 1189987783 PIFGJNCUTXZFRW-KGLIPLIRSA-N 447.435 0.933 30 20 ICED CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302540290 FLXWJPHAOUVREY-IPYPFGDCSA-N 427.600 0.816 30 20 ICED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1510353146 PHVAYWRXAQHPNR-CVEARBPZSA-N 438.554 0.920 30 20 ICED CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517752520 SGRAUNNKTMIURP-HUUCEWRRSA-N 427.513 0.828 30 20 ICED CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1554302617 MZFWAQBKTJACOE-HXUWFJFHSA-N 442.520 0.913 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1624820003 VRNOWSJZZCQIKQ-DZGCQCFKSA-N 433.511 0.912 30 20 ICED CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1706572167 WRZVXYMXACJQHD-QGZVFWFLSA-N 431.541 0.365 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1749831046 UOWRWIJNPCELKR-OAHLLOKOSA-N 427.527 0.088 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1777917229 MNRHICTUGQWKOM-POUSAUBHSA-N 438.528 0.981 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1779020630 USJQHPTWJDSSJO-MBWDCMDQSA-N 429.521 0.711 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779101187 IDEIBIQNTSHAQY-YVPFWOTMSA-N 449.508 0.502 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)CC1 1780190518 DXWUDQBPQMAXCO-QFIPXVFZSA-N 445.951 0.903 30 20 ICED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781786060 WTEHCRMUOXTNCT-XMMPIXPASA-N 439.560 0.834 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2 1782013377 IKFSDNVFEZRPLJ-FOIQADDNSA-N 445.863 0.827 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cc5ncccn5)CCO4)C3)c2c1 1782191895 APTYYCAYFAGAQI-QFIPXVFZSA-N 431.456 0.911 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783339327 LETLRMDJCHJFIZ-CVDCTZTESA-N 430.501 0.929 30 20 ICED CC(C)(C)OC(=O)N1CC(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783567798 AKFIRMUJBZIQBI-OAQYLSRUSA-N 435.477 0.161 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)CCC1 1785366997 VPOOYOCWALLOTI-NRFANRHFSA-N 426.477 0.154 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1785730006 XREMLGMPANYNOJ-AOMKIAJQSA-N 448.520 0.756 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787504020 BTSNMSQXICNCGQ-ULQDDVLXSA-N 445.607 0.311 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 1787771108 HFZFUJRFIOEFPW-FCLVOEFKSA-N 428.489 0.672 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789767417 IEVCRXJDYYTMPP-MILMJNAHSA-N 431.533 0.405 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088007 VPNXLBBNCFQPQD-SFNKJDCFSA-N 437.537 0.655 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794108345 JMVMGVUEYONQEU-FQRJBHLQSA-N 446.504 0.173 30 20 ICED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)c1ccccc1 1795532669 ZPVOUTQUVXAHEJ-XCRACJGTSA-N 440.544 0.366 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)nc2nccn12 1795599752 HZFSFIXRNANVNM-ALXJQNPVSA-N 439.520 0.523 30 20 ICED 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=CC[C@@H]1C(=O)OC)C2 1797709800 MPWJJPLVHKHWRH-UWVPOSKDSA-N 434.533 0.905 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1797741038 TVYQDNPRLBLXKK-DLUMSKLASA-N 432.550 0.630 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nn1C 1797815422 OOZCQIUVHHPFSC-ZIFADMAISA-N 435.481 0.161 30 20 ICED 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccoc4c3)C2)C1 1831393956 SNZLKVCPGNNZEY-OPAMFIHVSA-N 427.457 0.936 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831490926 PHTNDHSUCHECMB-IFXJQAMLSA-N 434.522 0.149 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831490930 PICWXEVRWQDCFV-OXJNMPFZSA-N 433.534 0.754 30 20 ICED O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C/N=C/c4ccco4)CC3)CC2)O1 1833512856 RIHUUXLVOJEHET-YPKZHZFPSA-N 431.493 0.379 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096045 MSMZVXAORBRQJZ-XMSQKQJNSA-N 448.541 0.175 30 20 ICED Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)n1 1835666328 BPSQLONKQCTPAM-UHFFFAOYSA-N 449.559 0.943 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](N)c4cccnc4)CCO3)C2)CCC1 1835838110 KJBBGIWPEWKMMQ-XMSQKQJNSA-N 427.505 0.622 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](CC)NC)CCO3)c(O)n1 1835905842 WZPHQIHPJIGYDO-WMZHIEFXSA-N 446.548 0.974 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837402984 MQMQZUQBJJTSBV-VGSWGCGISA-N 437.537 0.028 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837441116 SIVREADBNQWEGN-UKKLRFBMSA-N 431.493 0.329 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2)C(F)(F)F 1837678927 CLKVVMIPJKGZHQ-KBXCAEBGSA-N 435.443 0.866 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837756206 QRKCZVVGYDTWEU-ZHRRBRCNSA-N 446.504 0.033 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047623 YSYQQKWXRBCJEJ-NRFANRHFSA-N 426.477 0.278 30 20 ICED CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186269 JIKUCDIRQZOKJL-JOCHJYFZSA-N 433.480 0.857 30 20 ICED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839222931 FSWHVNNFSJIINI-JTSKRJEESA-N 448.520 0.890 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839224290 HLXVUWOIZYYBOL-ACJLOTCBSA-N 425.511 0.596 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1839419916 BROXNIFBBBYTQW-OAQYLSRUSA-N 427.436 0.664 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1839424800 CWSXVIATJDJAQF-VFNWGFHPSA-N 446.891 0.418 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)C2)C1 1839806467 PSZROILTDKIWFJ-GAJHUEQPSA-N 447.532 0.866 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1)C(F)(F)F 1839894735 OFMATJXBIJQWRJ-CQSZACIVSA-N 447.332 0.240 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)C1 1840039776 HNUDNKTVVIYPIC-XCGNWRKASA-N 448.422 0.613 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840158080 GRHPDOVJVDRTQC-BTYIYWSLSA-N 443.529 0.927 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840162957 LHPRQZMMGJNTND-ZFCANOHDSA-N 425.551 0.162 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1840716695 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C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1846331409 VWCASKNSTGSCRP-AWEZNQCLSA-N 427.523 0.151 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)no1 1846980031 RWQNKEFVQRAZOZ-UHFFFAOYSA-N 437.456 0.867 30 20 ICED N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 32705187 HCZYXAWLGLVSRQ-UHFFFAOYSA-N 441.469 0.640 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 303198405 YRCKMHGBQIMTIH-UHFFFAOYSA-N 443.261 0.629 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)n2)CC1 427335768 GOLRMZINJRFFBG-NPMXOYFQSA-N 447.499 0.960 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 430383628 HEVQBDVPARFXRV-NXHRZFHOSA-N 427.567 0.937 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@H](COC)C2)cc1 443763802 KMNUOSAQHLSYOK-HOCLYGCPSA-N 425.507 0.694 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 447466115 YSPQNHYUCJNJFP-JKSUJKDBSA-N 445.451 0.694 30 20 ICED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467292010 YMYGOYCXPSOJAZ-HNNXBMFYSA-N 443.483 0.423 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 471148406 SETSAJWREJRRQW-NRFANRHFSA-N 441.557 0.875 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCS(=O)(=O)N3CCSCC3)C2)n1 471945685 XUVHZVCLYJVALS-QGZVFWFLSA-N 437.591 0.973 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 473014640 KVIWBQAWGYIZGK-GFCCVEGCSA-N 449.924 0.798 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 473874417 HEFPECXLMGBASN-OAGDOXAWSA-N 432.480 0.973 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475266003 QDFUZTPBZYQDBE-UHFFFAOYSA-N 427.461 0.562 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 480306105 JEURYOCCKPPCSU-CYBMUJFWSA-N 441.469 0.916 30 20 ICED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2F)c1 481264583 ZPHTWOKYJDYMIB-GOSISDBHSA-N 426.404 0.928 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1 484387951 LMYNAIBZQBBPMZ-HNNXBMFYSA-N 429.520 0.125 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 484892084 DDAYVGMAZQOGJI-CYBMUJFWSA-N 439.490 0.954 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)cc1 487465224 BRKSLPNIRNHGHM-OAQYLSRUSA-N 442.564 0.348 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488637028 KTLHCQHBRSNNQI-INIZCTEOSA-N 438.444 0.324 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504178467 YOLPWGKVKAPOHD-NIMBFUQJSA-N 436.468 0.722 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 505662389 MFILWSLOXSNUJZ-HOTGVXAUSA-N 442.541 0.487 30 20 ICED Cc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nn1-c1cccc(C#N)c1 505804716 FGDGBFQOUXJXBQ-UHFFFAOYSA-N 434.456 0.486 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 517785676 UAWNHLOIICZMDY-UHFFFAOYSA-N 442.453 0.759 30 20 ICED CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)CC1 518507069 SCHRBSAVHXXGFK-UHFFFAOYSA-N 447.543 0.988 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CC1 533838201 HPOHCWYJKBQZDH-UHFFFAOYSA-N 448.527 0.987 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1 540271302 QVMQCWHRMSTJEU-NRFANRHFSA-N 437.460 0.819 30 20 ICED N#Cc1ccc(=NCC(=O)NCCC2CCN(C(=O)CN=c3ccc(C#N)c[nH]3)CC2)[nH]c1 549409446 URSWFIGYKUMBAV-UHFFFAOYSA-N 446.515 0.333 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1=O 553070133 GWKPDQOFMXBZER-HXUWFJFHSA-N 428.533 0.505 30 20 ICED CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 560050649 CVLSHSHAWXOTKQ-UHFFFAOYSA-N 436.472 0.708 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](OC)C(=O)OC)nnc12 561973859 MLWBXJHQRLORDX-CQSZACIVSA-N 431.474 0.627 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2=O)cc1 563501387 ARWPPGFQSCTXMO-IBGZPJMESA-N 437.500 0.246 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 564449859 LHNSVDGFOPNBSO-UHFFFAOYSA-N 445.505 0.255 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 564505311 NXRJXFFPCWTLPR-UHFFFAOYSA-N 442.544 0.301 30 20 ICED Cc1nsc(N2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)CC2)c1C#N 564566560 FNRKTPSZSQLSCR-UHFFFAOYSA-N 441.560 0.701 30 20 ICED CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 568909205 VBTCNOXUICFSJJ-OALUTQOASA-N 425.489 0.150 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 577438648 SWGICOBXHWOBOF-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Oc1ccc(F)cc1 579894961 YXKJPSDBMVOXEX-KRWDZBQOSA-N 435.433 0.712 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 581965718 UNJJQMRABZQFMM-VQTJNVASSA-N 441.532 0.739 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 604120499 RPQFVJSXAKEZOY-UHFFFAOYSA-N 429.523 0.453 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)cn1 608883789 GSFBNCSNDBUMBD-UHFFFAOYSA-N 436.497 0.162 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)c1 609255213 UDTIREGBMPAEMR-UHFFFAOYSA-N 449.467 0.782 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)cn2)c1 615243254 JRWDVXHAADQOKK-UHFFFAOYSA-N 429.458 0.964 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)C2=O)cc1 617091922 XQFMCNGVXMJYCB-RTBURBONSA-N 436.472 0.790 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 725763478 MQLZBNSFNNFELO-UHFFFAOYSA-N 449.536 0.914 30 20 ICED CCCOc1c(Cl)cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1OC 727161239 SIPBIMKMOWVJDN-UHFFFAOYSA-N 432.889 0.873 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 728719284 RTWRKCAARZIYOC-LJQANCHMSA-N 425.489 0.078 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(C)C)c2=O)cn1 732663789 GTNQQGDJQLGWPW-UHFFFAOYSA-N 431.587 0.861 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CCN1Cc1ccccc1 734077142 GRZGBFWFURZAIR-OAQYLSRUSA-N 446.511 0.798 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 746812537 DWNPKPIXZFZSLO-OLIJMITPSA-N 449.533 0.552 30 20 ICED C#CCN1CCN(C(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)CC1 750002901 OYVWCDRFBFZHAX-UHFFFAOYSA-N 444.561 0.194 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 756805883 SPEHSQMXSOHENA-CYBMUJFWSA-N 431.547 0.581 30 20 ICED Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C 757607295 WUDSMKWRFSUSBF-JSGCOSHPSA-N 442.476 0.430 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1Cc1ccon1 765145609 LBTSSHCYGFOVTM-UHFFFAOYSA-N 430.873 0.857 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 772305515 ZUZSVTBTMSCNMB-UHFFFAOYSA-N 425.514 0.557 30 20 ICED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 783351498 WYMNOWPNPZEYEG-SFHVURJKSA-N 435.502 0.761 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1)c(=O)n2C 786538602 NXGWWBQRTPXZGC-ZDUSSCGKSA-N 428.836 0.112 30 20 ICED C#C[C@H](NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 789147635 KIQMCFXOQIKDMC-FCHUYYIVSA-N 426.561 0.998 30 20 ICED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCn2cc(C(=O)OC)nn2)C1=O 790017049 XQXUMGMSOPLMJJ-GYKMOOBXSA-N 445.505 0.139 30 20 ICED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc(OC)n2)c1=O 790423281 XDLBAQBCCBVZSB-UHFFFAOYSA-N 440.481 0.372 30 20 ICED C[C@@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 801807202 DHGZIIPSWHALCF-ZDUSSCGKSA-N 426.451 0.945 30 20 ICED C=C(Br)CNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803747096 LMRZKABBSALKBU-UHFFFAOYSA-N 425.327 0.958 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC2(CC1)NC(=O)NC2=O 804731658 PUDJMDZCFAELHW-UHFFFAOYSA-N 433.490 0.142 30 20 ICED COc1cc(C#N)ccc1OCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 805498075 FJHDDNVQOCLZQR-CYBMUJFWSA-N 447.469 0.955 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 811153967 WXGUSKPENUBMFN-WBMJQRKESA-N 425.463 0.082 30 20 ICED C=CCNc1nc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cs1 818025857 LGFFUKQKECZCSQ-CYBMUJFWSA-N 428.536 0.229 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 853664619 RUBJWRWCQVJCFW-CYBMUJFWSA-N 444.469 0.767 30 20 ICED CS(=O)(=O)CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 920110216 BYVLCFWPAGDVQI-OAHLLOKOSA-N 427.504 0.553 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1225995036 XNRWQGPIILIPCV-UHFFFAOYSA-N 426.568 0.029 30 20 ICED CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1286891262 WTAZSJSFJPAFDH-UHFFFAOYSA-N 442.568 0.808 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1321048693 MRFOIVZGTYDCME-CVEARBPZSA-N 436.513 0.525 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1359469020 WGFPSJHHCXSRMK-AWEZNQCLSA-N 443.537 0.968 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)C1CC1 1451490131 LJPHTFKPCKJLAZ-HNNXBMFYSA-N 427.548 0.977 30 20 ICED CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1515782499 NHUUOZDYSWUIKK-QGZVFWFLSA-N 448.553 0.616 30 20 ICED CN(C)CCN1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1517016175 WYUDEIOVKNDTHC-IBGZPJMESA-N 427.557 0.681 30 20 ICED COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1625964556 MFSSFDFEHJKVRO-UNEWFSDZSA-N 444.513 0.880 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779062724 GLPUAZGPEFVMHF-HSZRJFAPSA-N 437.500 0.871 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104054 FKDGZEOZWONQRC-WEIACGKOSA-N 427.527 0.362 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1779558730 VEYBCWQHDWMUDA-PQNGQFLHSA-N 441.528 0.703 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058198 PZOJJVQCZRCFHV-FXAWDEMLSA-N 431.518 0.487 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1780176264 QTRBGGQKUOVHOL-KSFYIVLOSA-N 426.473 0.537 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1780601651 NKWICZRRTWFVTG-HXUWFJFHSA-N 444.538 0.862 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CCOCCOCCOCCOC)C2)C1 1781383466 WOKSISIHOBUVHT-QFIPXVFZSA-N 440.537 0.316 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(C)=O)C2)c1 1781762269 LXCSEAXWWFENQW-DENIHFKCSA-N 428.489 0.830 30 20 ICED O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2(O)CCCCC2)C3)CN1 1781777779 KDEGJGXOUBLWRD-NJNPRVFISA-N 431.533 0.335 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)c1 1782060849 LDSGVJDHPVNYMS-FCHUYYIVSA-N 429.473 0.926 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(N(C)C)c3)C[C@@H]21 1783529102 CKFYPDYAENNOOY-ZQPXHLQISA-N 441.532 0.599 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(O)C(F)(F)F)C[C@@H]21 1783529668 WLVJTXVMMIXSRJ-MMJAXOPBSA-N 433.427 0.138 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783556860 FHSHWORTYIYDMN-BTYIYWSLSA-N 445.497 0.015 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784507091 BSZSTCRTSKXTNJ-QFIPXVFZSA-N 430.553 0.691 30 20 ICED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cccc1=O 1785870231 CPLJWPIDTBDCTG-IOGVMZDASA-N 429.521 0.450 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1786859775 GUFJCFBMBFKFDI-BZSNNMDCSA-N 433.553 0.260 30 20 ICED N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccccn1 1786868528 BMUJPVSDJBARGK-YKCUFVOTSA-N 445.520 0.590 30 20 ICED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)CS(=O)(=O)N3CCCC3)cc2)CCC1 1788641864 XXRQTJAVJRQZCH-UHFFFAOYSA-N 433.486 0.634 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]32)c1 1789511000 AMKXOGZLHZVDFW-JYJNAYRXSA-N 438.406 0.830 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)c1 1790224387 CZUPBTFWWYNNCV-NUTKFTJISA-N 441.419 0.806 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618168 WCBBLUJQQXGXAF-NTPMHYTDSA-N 442.560 0.954 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791283015 JJMATELBQNMKOC-DQRIUVLUSA-N 435.477 0.294 30 20 ICED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cnc4c2c(=O)n(C)c(=O)n4C)C3)C1 1792498969 SVFBINNOTIDWAL-MUJYYYPQSA-N 440.504 0.038 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(=O)OC)nc1)C2 1792564292 SQWCUXOPOADMDW-KHVGYNOKSA-N 426.473 0.978 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792922892 XOVVVRVSBHFOIO-JLVBRIDZSA-N 426.477 0.389 30 20 ICED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1793285896 RMWFMSFFOTVPEE-ZSBFGKGUSA-N 449.305 0.660 30 20 ICED C=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 1793600079 SCJMAUBSHXKQQS-BASYENTBSA-N 435.477 0.133 30 20 ICED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1F 1794495268 FVKDRZAAAXKYIQ-RWNDBFMTSA-N 437.472 0.600 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796423281 OZHRXBNBXSZPBW-GGUBGCTKSA-N 426.564 0.298 30 20 ICED NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cc1 1797818630 WJXZZOUZOKORHR-PZRCVOGZSA-N 444.488 0.518 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](S)C(C)C)C3)n1 1797911221 KXDHFJUQAVRDQH-MVJTYMMSSA-N 436.578 0.831 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1798471705 UYNHJJPFNGBXDZ-FEVYEQLWSA-N 436.509 0.591 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C(C)(C)C)nn1 1798705501 HOERWJCJFMCYSM-GZHYHUHOSA-N 430.509 0.095 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799334280 SETONSOBTRDJQW-LBZHBENTSA-N 443.566 0.578 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2ccnn2)c(C#N)c1 1800269024 FPKCTZINDDRPTB-WMIGDMCZSA-N 438.488 0.552 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)C(=O)C(=O)O 1811795988 KCSQDDKYQUNWFO-AZUAARDMSA-N 449.467 0.816 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1)C(F)(F)F 1812675841 XOEWUPRSRNGIEZ-XJKSGUPXSA-N 439.394 0.758 30 20 ICED O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1817615344 WDUIBNUFFDJGQF-UEXBOALHSA-N 431.457 0.618 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820292372 FVXRXHYOLDTHNM-WWQCOOJYSA-N 445.461 0.859 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)n1cnnn1)CC2 1822930816 VTKPEPHIDNQIQH-NEPJUHHUSA-N 433.494 0.812 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1829789045 PMMLMZRCGUETSR-QFIPXVFZSA-N 432.521 0.692 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456529 LDGDVFFDMVUYAN-HXOBKFHXSA-N 442.516 0.459 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 1830459393 VTTFKHKGOPQNRW-WMZHIEFXSA-N 440.500 0.226 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1831217893 COOLLMNFYAXNBC-DEOSSOPVSA-N 442.512 0.931 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1831393096 UVQUQCIZWBAEFA-HXOBKFHXSA-N 438.484 0.738 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831393567 YAFKZUMNKKXHQI-YCRPNKLZSA-N 428.445 0.331 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831434679 FOENWDDEOVNPTL-SPLOXXLWSA-N 436.461 0.465 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831487829 SCZBEQLHJDXSLK-WAOWUJCRSA-N 436.578 0.362 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1832452033 QEEJOIDBSSJGQV-NQIIRXRSSA-N 434.562 0.847 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833106332 GYTTUJSVUHRPSZ-UHFFFAOYSA-N 446.573 0.717 30 20 ICED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1834518303 FNTBYBCOPJNPSY-UHFFFAOYSA-N 448.523 0.535 30 20 ICED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1834518844 QHCDQPNXBHXZNU-UHFFFAOYSA-N 438.572 0.942 30 20 ICED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099666 PQQOJRVEWAIACY-QHCPKHFHSA-N 437.500 0.981 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100343 NHTYBDYQDULBMA-CYFREDJKSA-N 441.528 0.799 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)C1 1835102346 RCASDSOMMVVWEG-URXFXBBRSA-N 425.529 0.836 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)nc2s1 1835354922 KAIGAFYLPHIRRV-IBGZPJMESA-N 432.506 0.402 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652965 WCPVXSJWLCNHCS-RDTXWAMCSA-N 429.543 0.260 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1)n1ccnn1 1835732653 TVTMJVZIFHKTMF-ZDSQJECRSA-N 444.584 0.882 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1836298716 WSSJWKPGWGFHRC-JOCHJYFZSA-N 438.488 0.688 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1837524216 BWCHYCVJSXMLNB-XXVAPRDTSA-N 436.465 0.582 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)c1 1837956218 NPICUQCEOGNKAD-IERDGZPVSA-N 434.493 0.961 30 20 ICED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579602 SUHJEJIVHCJJRE-KSFYIVLOSA-N 431.489 0.919 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)c1 1838737482 UORIFCIPMHMLOL-NRFANRHFSA-N 435.444 0.313 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1838737973 ICBTXYBCGHFKPG-WWCXEQRYSA-N 445.476 0.485 30 20 ICED CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838907241 GQNDZMUKCNWOKG-NRFANRHFSA-N 445.545 0.112 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839074580 SYTGVBAZRKUXSW-KUHUBIRLSA-N 431.555 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1839173184 DIYDDDDUPDIDEY-JOCHJYFZSA-N 447.488 0.426 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)ccc1F 1839185860 OPRFBNRYVXMFML-QHCPKHFHSA-N 444.507 0.792 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839222320 KBKXUWZOYMCQRV-FXAWDEMLSA-N 442.582 0.293 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839223139 NRZXPLNFDYJORP-VBKZILBWSA-N 449.464 0.046 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1839225732 RZSMMSQXGMLCEZ-OPAMFIHVSA-N 447.536 0.780 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839345290 YOFOXOSRVRVUGL-VGSWGCGISA-N 449.573 0.912 30 20 ICED COc1c(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1839394033 QGZZRLQFESOHDH-QFIPXVFZSA-N 430.457 0.470 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1839454099 UHTBMGPIGYSLEC-WZONZLPQSA-N 440.500 0.463 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839663607 FJSNCFCNFSYAPM-AVRDEDQJSA-N 430.505 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-c4ccccc4)nc3)C2)C1 1840043380 VALOWXVTTAJWAM-DEOSSOPVSA-N 449.463 0.907 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4occc4c3O)C2)C1 1840044662 QBRIGGYYINUZII-NRFANRHFSA-N 428.397 0.296 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCOCCOCCOC)CCO3)C2)C1 1840076117 STBIULPHLFMDBF-QFIPXVFZSA-N 440.537 0.479 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840140058 NZUXXIQPWAZXIP-YYDVJCTNSA-N 430.501 0.612 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840163218 FJHSAZKOXUCWJN-XERREHJYSA-N 432.546 0.527 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840432512 PLZCPENWWQBZBA-KKSFZXQISA-N 426.477 0.489 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)C1 1840569851 AWCPOPHGISASKM-KTBYTZPXSA-N 433.530 0.505 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818401 AIJISZAIHGHHMT-NRFANRHFSA-N 433.461 0.012 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(CC)CC1)CCO2 1840925542 AJMWDXVIHHVGTH-UZQCKINESA-N 448.564 0.033 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)c1 1842304901 AJGLYTMPCNJRQI-UHFFFAOYSA-N 447.499 0.738 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1844235243 RSNZQHYIGKUUBF-LSDHHAIUSA-N 425.526 0.649 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\C(=O)NCC=C 1847264710 DUMYLTMTUSKOKA-IPDQBPKRSA-N 444.532 0.963 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847801448 UVMVQRMCEQBQOY-NEWSRXKRSA-N 439.516 0.262 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 30592551 IVBGOVBKZFSFRB-IXDOHACOSA-N 435.550 0.857 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 32684345 MLSVBASDUXXSTB-DZGCQCFKSA-N 444.435 0.848 30 20 ICED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 61305490 OXHFQVYYRBWQMQ-UHFFFAOYSA-N 427.505 0.755 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1=O 430121189 GIXADRAQTMDLGE-CYBMUJFWSA-N 438.278 0.693 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 433884711 WEXJUAJNENHZGE-GFCCVEGCSA-N 437.293 0.281 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CN4CCN3CC4)nnc12 438181846 WKRYCXUZBNWWEZ-OAHLLOKOSA-N 439.545 0.438 30 20 ICED COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N(CCC#N)CCCN(C)C 438750122 GDMJPYHXYTZZCR-UHFFFAOYSA-N 425.511 0.699 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2C)c1=O 440372237 DVKYJVUDVVALDF-UHFFFAOYSA-N 431.514 0.600 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H](C)C(=O)OC(C)(C)C 442332607 BAZALMMVRYORKN-CYBMUJFWSA-N 448.524 1.143 30 20 ICED COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460597768 JRUQWZPWFZPTOD-UHFFFAOYSA-N 433.428 0.632 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 480807214 VXANHTPABDGACF-HIFRSBDPSA-N 428.536 0.013 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486630128 UXPMUKSFXOJPFO-QGZVFWFLSA-N 428.470 0.745 30 20 ICED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488637029 KTLHCQHBRSNNQI-MRXNPFEDSA-N 438.444 0.324 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C 505275334 RMZJPUBHYPMUDD-INIZCTEOSA-N 437.460 0.060 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1=O 513909362 MAVFDGMSUXKOKT-UHFFFAOYSA-N 432.458 0.856 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 526038169 TZJYWQUGYHXQJU-OAHLLOKOSA-N 443.525 0.849 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccc(OC(F)F)cc2)C1=O 539346972 KRPGNCTVTUIFFP-CYBMUJFWSA-N 425.344 0.595 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 550464487 LTPIFIQHXRMNSM-HNNXBMFYSA-N 441.513 0.732 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 553263230 JJHMICPILIVQAL-NRFANRHFSA-N 439.560 0.984 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 561487961 BYOPNWRWJYIAEN-IBGZPJMESA-N 441.576 0.775 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 570753400 DBBHEOHZROFMLY-UXHICEINSA-N 440.548 0.486 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)nc1 577185236 HDHZADVJASBBDM-CQSZACIVSA-N 426.458 0.788 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 577675203 LAOBKGZQIURNQN-IBGZPJMESA-N 432.484 0.802 30 20 ICED CN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)CC1 591492451 MHAGGJAUWUHHDW-UHFFFAOYSA-N 428.518 0.300 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 603986074 JSUJZDBQWRDAOL-UHFFFAOYSA-N 441.509 0.523 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)ccc21 604514449 TZMRCFAPLKTVIG-UHFFFAOYSA-N 449.471 0.901 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 604532844 DCWNKWNMWAONIL-UHFFFAOYSA-N 436.538 0.927 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221286 KUWIOZXRBVPANR-INIZCTEOSA-N 439.270 0.490 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC2CCOCC2)CC1 735358428 OIZVJTIIKQDAIJ-UHFFFAOYSA-N 435.502 0.751 30 20 ICED Cn1c(=O)nc(O)c2nc(CCC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)[nH]c21 743733209 IRZLOPWUCFZGOZ-UHFFFAOYSA-N 437.460 0.766 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(O)CCN(Cc2ccccc2)C1 743766642 QNPJCRJKNINXOV-NRFANRHFSA-N 428.514 0.478 30 20 ICED N#C[C@@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(N)nc(Nc2ccccc2)n1 744026255 LSACNEBPPNULTI-BYHHXJKWSA-N 447.455 0.926 30 20 ICED C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 744366060 AASQPEKXYHPXBV-UHFFFAOYSA-N 434.562 0.555 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 753060649 KZRVQDMZMUXWGW-UHFFFAOYSA-N 433.509 0.085 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)c1 754779002 IDRPJERRQFMXKK-UHFFFAOYSA-N 429.252 0.458 30 20 ICED COCCc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)n1N 754803861 IWCRVMXZHVWGJL-KRWDZBQOSA-N 445.549 0.691 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1 755552948 PZRBMYSKWOZDML-SWLSCSKDSA-N 426.437 0.476 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(CCc2cccs2)C1=O 756885416 MNYFGFQGAJXPLU-CQSZACIVSA-N 439.501 0.911 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758051562 MQYRIMMVMQGURZ-OAHLLOKOSA-N 426.523 0.656 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC(F)F)c2)c1=O 758059647 RCSUYTXHQNBQMG-UHFFFAOYSA-N 445.447 0.935 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 761025831 XTUIBRSJJOJLPY-UHFFFAOYSA-N 434.440 0.287 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccn(C)c3)c2=O)cn1 763461436 YAEDMEBNZVMTIB-AWEZNQCLSA-N 440.529 0.108 30 20 ICED C[C@H](CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[S@@](C)=O 766644795 OYJMWXOGMISHPR-DRFCBZPGSA-N 442.563 0.711 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C[C@H](O)c3cnn(C)c3)CC2)o1 766950019 JVFDRJSEKUCUHT-HKUYNNGSSA-N 427.509 0.825 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C#N)ccc1I 778630053 MVFJMYJJBSAJAU-SECBINFHSA-N 436.227 0.991 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 778793031 RIHHQUHPSAVPKA-MRXNPFEDSA-N 431.474 0.617 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 781598812 DRUXFTZRFFYPBV-UHFFFAOYSA-N 434.361 0.836 30 20 ICED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784782250 BURNINPGIWHATL-QIAIEURZSA-N 435.506 0.127 30 20 ICED C#CCN=c1nc(N2CCO[C@H](C(F)(F)F)C2)[nH]c(N2CCO[C@H](C(F)(F)F)C2)n1 804484925 JSWUHOFSKMKQLV-QWRGUYRKSA-N 440.348 0.874 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)nc1 807767715 RIZNOHPODRYSFZ-UHFFFAOYSA-N 436.516 0.754 30 20 ICED CCCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1N 808055506 PYBMXWYOKNTTRF-UHFFFAOYSA-N 449.562 0.441 30 20 ICED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)ccc1Br 815450177 QYKDSYXZDZHFMQ-UHFFFAOYSA-N 445.295 0.037 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 815861307 BCQJOWYGFXTMKB-HXUWFJFHSA-N 426.517 0.864 30 20 ICED CC(C)(C)N/C(=N/CCCN1CCOCC1)NCCS(=O)(=O)N1CCSCC1 912507023 SUAVEGBJUXXFKA-UHFFFAOYSA-N 435.660 0.421 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3cccs3)CC2)o1 915384004 GCGCHNGUFWBXMN-LBPRGKRZSA-N 431.474 0.927 30 20 ICED N#C[C@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CC1 916926901 DVSFGYZFBPZTMR-QGZVFWFLSA-N 432.502 0.287 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCC2 919131655 IBKAVKCEHBBIEU-SNVBAGLBSA-N 437.503 0.691 30 20 ICED C[C@H](CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1300940042 OYPINTAVGLSBRN-CYBMUJFWSA-N 440.547 0.140 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2F)C[C@@H](C)O1 1347319255 CTDCPHFHVWTZII-HUUCEWRRSA-N 441.529 0.687 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCN3Cc4ccccc4OCC3=O)CC2)c1C#N 1471323464 ZVMQDPDALITHPX-UHFFFAOYSA-N 437.504 0.853 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C#N)cc3=O)CC2)cc1OC 1644091317 JSZIWQZMOJNHQN-UHFFFAOYSA-N 446.485 0.270 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 1706937640 PHEOVILSKLLXEV-INIZCTEOSA-N 448.553 0.707 30 20 ICED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1729596866 NJYVQBXTLGDVKW-JOCHJYFZSA-N 425.537 0.652 30 20 ICED CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750206470 YZRFYOQUJQWGOG-OAHLLOKOSA-N 444.521 0.147 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnnn1C 1750969130 XXBTVHZGWPVAPM-UHFFFAOYSA-N 448.535 0.787 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1765672405 MEQQMJYOCFEYHX-INIZCTEOSA-N 431.522 0.471 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1769065658 USENEVILKCGITH-VGOFRKELSA-N 439.520 0.497 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1771112603 TYBIRNULCJKYEO-INIZCTEOSA-N 426.543 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3ncnn3c2)C1 1779166628 ALWIOUHGUJEBFQ-AQOAWAETSA-N 425.489 0.895 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnncc3C(=O)O)C2)c1 1779698621 OHSDPPQBQRMZTR-DYESRHJHSA-N 438.444 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952179 AESHPWBVNZLAIR-VFNWGFHPSA-N 446.529 0.773 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1780739911 WQMCBHVNUALRPN-DYESRHJHSA-N 433.509 0.692 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780953019 QMTCQBFYUPICOB-JOCHJYFZSA-N 441.488 0.611 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1781112052 NYJZPKXLQAUVML-QYWGDWMGSA-N 436.509 0.348 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1781395894 DSOJUSXPQYPFIN-QRWLVFNGSA-N 435.481 0.344 30 20 ICED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)c(C#N)c1)CCO2 1783144283 OAKRTICLAKMKIG-IBGZPJMESA-N 449.305 0.900 30 20 ICED C=C(C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1)C(F)(F)F 1783208812 IMMVNPHHEVKLQP-QGZVFWFLSA-N 430.383 0.206 30 20 ICED COc1ccc(C(=O)CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783561386 OTFVMXBEPNCYSG-QFIPXVFZSA-N 428.441 0.576 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783849835 FGUFMYUCDPYQCX-YZZKKUAISA-N 446.548 0.854 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)nn1C 1784240596 HCZJLJHAYIFCCL-JQPABRAMSA-N 447.536 0.780 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784348003 BZYWRAFRNXSXMZ-OPAMFIHVSA-N 428.537 0.626 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1785443605 OHVWWWFUQBNWOR-IFPAPICYSA-N 438.525 0.650 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c1 1786649066 NFGULXPIOTWZKD-FCLVOEFKSA-N 433.530 0.952 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787519775 JWMUIVXZGHPOLM-LEAZDLGRSA-N 433.549 0.532 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788575613 ZTAJOXLXOLMDBH-LAQRGFTBSA-N 427.505 0.896 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789090449 ATLSDRKJTJSYPD-ULQDDVLXSA-N 427.505 0.937 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789135485 MPYMUCVGASDSON-JKQORVJESA-N 446.529 0.940 30 20 ICED Cn1nc2c(c1C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]31)CCC2 1790461765 ODLIJDMGTMBFJI-ZRRIGXHUSA-N 442.564 0.974 30 20 ICED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21)C(F)(F)F 1790883208 MRCMEIIMSGINEZ-BPNCWPANSA-N 428.367 0.887 30 20 ICED Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077123 LHISQVBLKRIGDY-GVXVVHGQSA-N 428.367 0.120 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)n1 1792556485 IVFIKWREOIUGKW-HATOLVCRSA-N 437.500 0.847 30 20 ICED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1793573671 PFJMFULCTWEQGV-BCDXTJNWSA-N 427.567 0.338 30 20 ICED O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793804013 ZQOPXSBAEBVCIJ-BBIADKPPSA-N 445.560 0.677 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1793822900 BYSPLQMOHPAWPR-CWPLJXCYSA-N 433.578 0.841 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)[C@@H]2C1 1795420644 QDZDQQNGRYUYST-WLFJLSJOSA-N 432.521 0.993 30 20 ICED O=C(CNCP(=O)(O)O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796895078 VPTBMFVBXCOLMN-FBKAWLDUSA-N 441.446 0.850 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)COC2 1797012013 PNCYGPQYYHHAIZ-TUVZZLAOSA-N 425.485 0.778 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798496750 GUPMJTCPAIWTDA-SFJGZRAYSA-N 425.555 0.638 30 20 ICED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)c1OC 1798694256 UHVYKGVQSWUYFA-XOIINTDNSA-N 425.445 0.816 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2)C(F)(F)F 1800549344 ZLVRUHNVGXJACS-AGGWBTHJSA-N 447.435 0.807 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1800980428 JQKUFWDTMMPFRB-IBEHDNSVSA-N 443.566 0.530 30 20 ICED O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801116167 MHINVKWDDVKYQQ-MFKICJERSA-N 441.871 0.206 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809775163 MDYVXGCLQBWAEH-MRXNPFEDSA-N 437.541 0.564 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1 1819242691 YESHHKQLLOGXLO-YOEHRIQHSA-N 429.437 0.980 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819361217 RYOTXPQBLAZNBH-KBPBESRZSA-N 432.481 0.527 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)[nH]n1 1820894756 SQIPJGZEEJLYGI-AWEZNQCLSA-N 426.495 0.956 30 20 ICED COc1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNC(=N)N)CC3)c1 1821385294 PCQGQXOVRSQMDW-GFCCVEGCSA-N 427.490 0.732 30 20 ICED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1826420772 RMKRARQTCGJOCG-GFCCVEGCSA-N 428.451 0.974 30 20 ICED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN)CCN3C(=O)OCc3ccccc3)C2)CC1 1828956179 FRMCBBYXBBSBJP-QFIPXVFZSA-N 425.489 0.701 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)c(F)c3)CCO2)C1 1830143551 ZEKAICDQOCGFQO-AOMKIAJQSA-N 434.464 0.943 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831406590 YRQUOEOFFIFKOA-NRFANRHFSA-N 434.493 0.538 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1831427271 SUHSOSUERNGRPD-MWTRTKDXSA-N 443.500 0.591 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1831432562 ASEPQHWXWKYMKO-ZHRRBRCNSA-N 431.489 0.447 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831483092 KIZZQYGRJYQSLO-RKVPGOIHSA-N 436.596 0.078 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831589611 VYDILQRNRPFQPO-VAXHJCBCSA-N 439.484 0.864 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832468816 RQVVDVWFIMDWFO-YKSBVNFPSA-N 438.528 0.803 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833476960 PJFMABXHBFHFOV-QGZVFWFLSA-N 431.537 0.406 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833757797 HYNWLGZWZFDZEV-JOCHJYFZSA-N 432.473 0.972 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnc3)CC2)CC1 1834266677 ZXPYPUOLTBPPHK-UHFFFAOYSA-N 429.569 0.737 30 20 ICED Cn1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)n1 1834845925 IOQPYGIGMZTELW-UHFFFAOYSA-N 443.596 0.816 30 20 ICED COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339256 JEIDZJPPSLKLMX-JOCHJYFZSA-N 429.473 0.834 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(F)(F)F 1835682725 SICGNKKHDGAZOS-GOSISDBHSA-N 432.443 0.843 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccn5ccnc5c4)CCO3)C2)c1 1836986483 IOPKTHGUZWZOQU-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1837402419 BBMOTJJGMGSENY-JTSKRJEESA-N 448.520 0.144 30 20 ICED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447451 OTWZBUXMOOHHDH-SEVHUYGTSA-N 446.552 0.681 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)on1 1837524799 NAWBGOFNEOXUBH-XLKFECATSA-N 436.465 0.582 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837756322 YGBUAXGOZXPENO-QFIPXVFZSA-N 428.489 0.408 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838071684 UBUQLCMGQQGFQR-OAQYLSRUSA-N 425.445 0.679 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnoc4)C3)C2)c1 1838581580 BLNUYVMNWCXMEW-NRFANRHFSA-N 426.429 0.939 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cc(O)n1 1838736345 ZEZZXAVHXXOBBR-OAQYLSRUSA-N 425.445 0.679 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1)CCO2 1838982233 CRDFDHDQTQUKRT-AXKGWLQCSA-N 427.501 0.923 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839040754 OQFCXJDAUFLAEH-JOCHJYFZSA-N 426.473 0.612 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839059981 BOFZYHPICCPEGJ-XOBIUNJKSA-N 426.473 0.793 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839176043 SDXQDAJGCDTZSS-QFIPXVFZSA-N 447.488 0.174 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561063 ZMPPKPAACHJEGY-XXBNENTESA-N 442.516 0.977 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1840042978 ZSCVIIQSDGVGDP-PGRDOPGGSA-N 441.440 0.048 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840883521 VMXOEFBGMUKZSX-WHSLLNHNSA-N 436.509 0.660 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844465651 HKRIWXGIVRRTIW-NSHDSACASA-N 442.257 0.870 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845245181 CWGSYYWYILMWPT-IBGZPJMESA-N 440.537 0.314 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCn2ccnn2)C1 1846624403 MXGDUFXGGAXECH-MRXNPFEDSA-N 430.509 0.788 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 409549916 POYVQJNDRFKXJV-UHFFFAOYSA-N 444.564 0.478 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 433594834 NQTRQOCFQNGITF-MRXNPFEDSA-N 429.506 1.479 30 20 ICED N#Cc1c(CCCNC(=O)C(=O)Nc2ccn(CC(F)F)n2)nn(-c2ccccc2)c1N 444509657 ZSEZWQAURDWHBA-UHFFFAOYSA-N 442.430 1.475 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)cc1 447457725 FENNZPBBABKEHN-UHFFFAOYSA-N 430.486 0.813 30 20 ICED CN(CC(=O)N[C@H]1CCCc2nc(O)c(C(N)=O)cc21)S(=O)(=O)c1ccc(C#N)cc1 480400237 BEUJPXVGLSWSHS-INIZCTEOSA-N 443.485 0.572 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)cc1 482904304 UEQKPESBNYIUGE-INIZCTEOSA-N 426.520 0.151 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)cc2)c1=O 488056955 NBTBVHXJYOUSHS-UHFFFAOYSA-N 443.550 0.164 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2ccccn2)c1=O 489022120 ZYOONVIUSSHDCU-MRXNPFEDSA-N 449.536 0.873 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccnn2C)c1=O 502040884 GGFDREOAPCVAQR-UHFFFAOYSA-N 436.493 0.982 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506694672 KTGVLMADMVMDAS-BJJXKVORSA-N 428.536 0.059 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCCOc1ccccc1 506909900 LYMZPXNFRJFWAT-UHFFFAOYSA-N 428.474 0.890 30 20 ICED CCOC(=O)c1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)sc2c1CCSC2 508348132 JCIMEWOQZGAWRC-UHFFFAOYSA-N 434.503 0.932 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccon2)CC1 508830393 YQMUMZUVXWUPSS-INIZCTEOSA-N 437.526 0.107 30 20 ICED C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCCOC)CC1 508885973 VQFSUTBUNOFITJ-UHFFFAOYSA-N 429.481 0.924 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 515944132 AIZPJMADPJTWGR-SFHVURJKSA-N 435.440 0.569 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 517983888 GJHYTYSDUZYOFZ-UHFFFAOYSA-N 442.403 0.865 30 20 ICED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 545492871 VKWIHJLOUYPNPE-TZMCWYRMSA-N 432.462 0.077 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(C(=O)N(C)C)c3)CC2)c1C#N 550704569 JQCXYBUHUSWQOH-UHFFFAOYSA-N 437.504 0.267 30 20 ICED C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555243193 KPOWTSBADUHRRA-LBPRGKRZSA-N 434.298 0.759 30 20 ICED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 572666390 FXZNVBSDWFCHRU-UHFFFAOYSA-N 443.485 0.585 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ncc[nH]1 574431655 ZALAXKAKYQYAMW-MOPGFXCFSA-N 449.515 0.404 30 20 ICED CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 574488850 KNJUZFUYMRTTHA-UHFFFAOYSA-N 426.442 0.930 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCSCC1 580455211 WRQOBGIXFRMGGN-UHFFFAOYSA-N 441.517 0.938 30 20 ICED Cc1ccc(-n2cc(S(=O)(=O)N3CC(C#N)C3)cn2)cc1S(=O)(=O)N1CC(C#N)C1 590088687 AZWNEFXWIVRWBH-UHFFFAOYSA-N 446.514 0.469 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)N(C)C[C@H](C)C#N)c(=O)n2Cc1ccccc1 603893885 KSXQWWYJXXIIDT-MRXNPFEDSA-N 438.488 0.672 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3c2OCCO3)c1=O 603988747 GWBYILJRDJHNMD-UHFFFAOYSA-N 443.525 0.747 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C#N)cn1CCOC 614215362 QXYXTKJBPQTTCZ-UHFFFAOYSA-N 434.497 0.421 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1C#N 615989599 XZRBVMKERLTWRX-DYVFJYSZSA-N 425.497 0.359 30 20 ICED Cn1c(=O)oc2c(C(=O)NCC#CCNC(=O)c3cccc4c3oc(=O)n4C)cccc21 681339914 UTUPYWSWUJPDHI-UHFFFAOYSA-N 434.408 0.740 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 684534585 BNMODJGPQGLHAD-ZDUSSCGKSA-N 437.477 0.640 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1=O 726042112 CJHXUSSDBSRVNV-UHFFFAOYSA-N 445.428 0.109 30 20 ICED CC(C)N1C(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2S1(=O)=O 731863359 UVCUDVJRIMUPEA-VLGSPTGOSA-N 432.458 0.496 30 20 ICED Cc1cc(=O)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccccc1[N+](=O)[O-] 731889589 PMRMKDKPBPOCOP-HTXNQAPBSA-N 438.400 0.705 30 20 ICED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 733852510 XZMOOUOVBCXQOD-QGZVFWFLSA-N 441.488 0.870 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744726130 OZVWIZNMKPLCDK-OLZOCXBDSA-N 426.447 0.291 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(COC)cc2)c1=O 758050697 HFECOIAAGZRHBQ-UHFFFAOYSA-N 439.537 0.735 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 759951467 IOZLSAHOJDIMCS-QOBDKFOYSA-N 443.551 0.784 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(OC)nc1 767890568 JJMPQQUBIJQGNJ-UHFFFAOYSA-N 427.511 0.788 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC3CCN(CC#N)CC3)cc2)CC1 770780273 JTYARBSXKNPJQL-UHFFFAOYSA-N 434.518 0.684 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(-n3cnc4ccccc43)cc2)c(=O)n(C)c1=O 771897245 KJTWQCKDNAKOFX-UHFFFAOYSA-N 438.469 0.735 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ncc(C3OCCO3)s2)CC1 773054517 RLFNDJVMMVIPPI-UHFFFAOYSA-N 438.535 0.966 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)[C@@H]1CCS(=O)(=O)C1 773654660 DFFPCGBQBDFXQM-OAHLLOKOSA-N 436.440 0.953 30 20 ICED N#Cc1cccc(OCCCCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 778119519 YDPXNHDFCJTTSW-HNNXBMFYSA-N 437.474 0.663 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CSCC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 783478065 AJJQJQBHXJYJRC-INIZCTEOSA-N 438.527 0.680 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 783618346 PHWRXHASCYPAEU-UHFFFAOYSA-N 432.520 0.233 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)c1 785286794 RMOPMIJTENWOQH-JZZHWFMQSA-N 444.460 0.666 30 20 ICED CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)s1 798846845 CZUWVSJVTKIVEP-GFCCVEGCSA-N 438.535 0.982 30 20 ICED CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCNC1=O 799847292 UNPWDUYIBFFEKW-QJIFYWSCSA-N 435.506 0.175 30 20 ICED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800777194 NPUWBXNIRLSFKK-OAHLLOKOSA-N 446.599 0.075 30 20 ICED N#CCNC(=O)CNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 804821360 MXBORECKXOSGMM-OAHLLOKOSA-N 442.501 0.479 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(C4CCCC4)nnc3[C@H]2C)c1=O 808195309 HAKONJRUXMRXMF-OAHLLOKOSA-N 427.509 0.827 30 20 ICED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 810581776 WNVSQFWNMBFKIJ-VIFPVBQESA-N 426.804 0.830 30 20 ICED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815871190 DUJQSRSJZOYGEL-XEFZIOHMSA-N 435.550 0.991 30 20 ICED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815871757 UCOHZPNLICEDEN-XEFZIOHMSA-N 435.550 0.991 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN1CCCCC1=O 815926213 GSUCVXDTFAVBDR-UHFFFAOYSA-N 426.429 0.922 30 20 ICED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 821693283 ALYLQBLROISZCE-UHFFFAOYSA-N 431.426 0.678 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)cc2OC)c1=O 838166789 IGFWVIZAGAWMPV-UHFFFAOYSA-N 445.541 0.849 30 20 ICED CN(CCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 915089068 PBHJALQZCXPDPY-UHFFFAOYSA-N 444.579 0.683 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 915300053 SKVFVPSCOJUYHA-UHFFFAOYSA-N 442.563 0.436 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CC1 917791143 GSLNMOOAJHBTMA-CYBMUJFWSA-N 429.546 0.850 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1([S@](C)=O)CC1 1303850060 PWIXJFDTOPUBCF-LTUDEVEQSA-N 428.584 0.929 30 20 ICED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1309002883 UPQJUDAINJTPJB-UHFFFAOYSA-N 429.549 0.877 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(F)c1F 1319410020 KUXPLJUJBBEQKF-UHFFFAOYSA-N 429.452 0.940 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1619733803 KFVLEBPVMYZPNJ-LJQANCHMSA-N 440.504 0.917 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C#N)C3)CC2)c1 1654740624 YVXQAZUXFKBUKV-MRXNPFEDSA-N 436.534 0.772 30 20 ICED C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)C1 1690223602 VUXXREICYAZPPA-UHFFFAOYSA-N 430.270 0.766 30 20 ICED N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CCO1 1731187535 ROXOBKFBZRZSPV-KRWDZBQOSA-N 434.497 0.772 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1746363057 KCBUBJYSKUQNAK-UHFFFAOYSA-N 448.535 0.687 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1751095815 ZQSPJLXWGHNXDS-ZIAGYGMSSA-N 429.568 0.886 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1768331435 XNQJAAVFDOWERH-IVAFGUPBSA-N 432.572 0.118 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931947 PSFXTRCXSGDLJP-OAQYLSRUSA-N 425.493 0.455 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1778781659 OJBAMZXKWODVDN-NQIIRXRSSA-N 449.891 0.586 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1779061022 NCOYKPAPCQYXLE-MJGOQNOKSA-N 432.439 0.828 30 20 ICED COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101152 HZAFYYZAQLHFFW-YRPGDMADSA-N 436.465 0.794 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057575 AATYWWCFIFXXND-BTYIYWSLSA-N 427.461 0.124 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)ccc1F 1781300683 ZHBWIMAIYAVLLE-GHTZIAJQSA-N 449.504 0.647 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)n1cncn1 1781302296 MDNIAQQISODMGW-QVKFZJNVSA-N 426.452 0.922 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781854349 KWPKRRCISCPUQD-HNAYVOBHSA-N 429.539 0.579 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787926 SYYGCMLAHZLPRX-IIBYNOLFSA-N 448.476 0.160 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1784510221 KELSYKFUBRGKKY-QPSCCSFWSA-N 441.575 0.418 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786261224 KIEUNTALRTWSQY-XSWJXKHESA-N 446.508 0.021 30 20 ICED O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786746109 HMSOAZHVLOUXHZ-QMLJZNPSSA-N 432.521 0.401 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cccc3C=O)[C@H]2C1 1786992132 DMGIVRWNJJVCLN-NIWGMWRLSA-N 442.516 0.700 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1787410457 ANKRGGQJBVBODA-KANFNMMFSA-N 427.505 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)CC[C@@H](N)C(N)=O)cc2)CCC1 1788054654 LDXZCMKYZVUWMR-QXPKXGMISA-N 427.505 0.572 30 20 ICED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CC1 1789344045 GKBZUCXYCFMUKA-BJLQDIEVSA-N 428.537 0.117 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4O3)C[C@@H]21 1790793529 NHKNQUYDKYMJGB-WXJALIKYSA-N 447.532 0.624 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791132287 ICTOOAFBXHPXQG-FYQPLNBISA-N 440.537 0.074 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(C)nn(C)c1C)C2 1792491360 PFOZXZMBWRBUMM-OIQBNGKOSA-N 429.521 0.027 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792537688 GADHZWQNEDDWEP-BMQTXXJKSA-N 428.489 0.441 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NO1 1793276427 FKTFUSRJBHFUHJ-OJVCSNARSA-N 425.485 0.808 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1793347797 IZKGQVDZUKNBJJ-LUDBKSMVSA-N 437.496 0.524 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(C)C(=O)CC2)c1 1793786170 DYXOLLKWFWTZNV-CWPLJXCYSA-N 439.472 0.378 30 20 ICED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797904273 ZXOPFYKZYWVPGS-JNNRSPCRSA-N 448.487 0.566 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc(O)cc([N+](=O)[O-])c1 1799731933 SWSZEEKRCNXOOQ-COHUGYILSA-N 445.476 0.975 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CSCC(=O)O)C4)c2c1 1799885542 LSHXIFZFJKSZIV-IVWMJMPLSA-N 443.485 0.456 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2 1800773783 SQJKJGYRVQHWNA-KSPBDQMDSA-N 436.262 0.064 30 20 ICED 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)C1 1800774376 ZALQFFUUNONCPJ-DBDOFBCQSA-N 449.504 0.357 30 20 ICED C[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#CC(=O)O 1800777249 MHPREZLWRKTGCX-NAHJCDBISA-N 449.504 0.167 30 20 ICED 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)C1 1800778708 DCRKWGCQXQUIKM-OAFZBRQQSA-N 449.504 0.311 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1800996503 DMDXNUWBTPSFHP-FAQVEIGNSA-N 425.485 0.767 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C2 1801002374 YEDXWOBCYLTQEZ-XEMDLRDOSA-N 436.553 0.705 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)ccc1F 1801020808 KIJKHPRJJRPEEN-YVWYUNDQSA-N 435.477 0.647 30 20 ICED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802056965 LPGRUOJMENXVHY-ZEBXBMNNSA-N 449.504 0.473 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802477512 OVNTVTPKAZJASG-IOPXPSCBSA-N 439.516 0.472 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1 1803544663 FZKLAPMAGFNKQC-IDHHARJASA-N 437.456 0.928 30 20 ICED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC2(O)CCCCC2)C3)c(=O)nc1O 1804093780 XLLABWXPIMPQDB-BCDXTJNWSA-N 442.516 0.594 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807142782 GDSSYAQWNSLGCW-HKUYNNGSSA-N 443.552 0.640 30 20 ICED N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828809888 ACQSRSIBZRVLQD-QFIPXVFZSA-N 438.440 0.440 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1828886067 KVAQFTLQWNUTBY-IRFCIJBXSA-N 437.581 0.830 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)C1 1830064754 PERHSNFYKCVAOM-GSHUGGBRSA-N 435.521 0.972 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830297215 ULYRSKQFMMPCCZ-KSFYIVLOSA-N 435.521 0.769 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1831391852 XADJIMPVSVPBBI-MBSDFSHPSA-N 430.501 0.732 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370940 NACXOGUSBDLDBT-VQIMIIECSA-N 426.539 0.005 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)N1CCN(C)CC1 1833148511 DFKISMBCAYAJHY-GOSISDBHSA-N 432.613 0.744 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(Cl)ccc3F)CCO2)C1 1833239741 HTWMMPAJKHYJAM-JLTOFOAXSA-N 439.871 0.982 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833314758 LFNSEXWFZCHKGD-YCRPNKLZSA-N 447.492 0.051 30 20 ICED CC1=NN(c2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cc2)C(=O)C1 1834765369 FDLJGKKMXQZPQD-JOCHJYFZSA-N 439.472 0.783 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)CC1 1835338847 VUOBDRNKGXJNLK-HNNXBMFYSA-N 437.346 0.102 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835842318 ONMPTCFVZSILDB-LJQANCHMSA-N 440.610 0.628 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837433663 FFFQRNUSDOOOOD-DEOSSOPVSA-N 439.512 0.886 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837444219 SJYLQAIWSUGKNX-UQQIOGDDSA-N 433.484 0.762 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531575 PYMCLHSBOVNNKC-CMQXEDBBSA-N 449.508 0.626 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561311 GPXLQNKBAULFNA-ZJHLSYPMSA-N 445.476 0.211 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC(C)C)CCO2 1837601916 HIZSFFRHHAUUJD-LAUBAEHRSA-N 426.510 0.766 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837881954 YNOWSXICMUDWHI-MSOLQXFVSA-N 438.569 0.151 30 20 ICED COCCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838138284 USYIIEXCXHOJFL-UHFFFAOYSA-N 432.477 0.230 30 20 ICED O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC4(O)CCCCC4)CC3)CC2)CN1 1838400325 CBKFNPVIQVRSIA-SFHVURJKSA-N 445.560 0.820 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131897 GOFKBSYAXIGXGQ-HSZRJFAPSA-N 444.532 0.565 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839224145 FVIYQJSJLQUQDV-BLIXFSHQSA-N 433.509 0.339 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1839225309 FGOFCOGVWBFZNZ-IERDGZPVSA-N 444.492 0.600 30 20 ICED COc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1OC 1839400270 WCVXHOLOPUTJFR-JOCHJYFZSA-N 446.456 0.170 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532878 FVAKYLHPEKLYMP-JOCHJYFZSA-N 446.504 0.409 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1839890997 GIFFGMDLZJICLZ-LPHOPBHVSA-N 431.480 0.959 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908912 GPVQDSMFGWLFHI-HSZRJFAPSA-N 446.500 0.901 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840161521 RWUWFKDWPYQLFP-ZUOKHONESA-N 435.502 0.406 30 20 ICED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1841004897 GKNUTDFNRYDXQT-UHFFFAOYSA-N 444.557 0.425 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)CCc3ccc(C#N)cc3)C2)c(=O)nc1O 1841006903 HBKUUXZWXXWNQG-UHFFFAOYSA-N 435.484 0.965 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(N)n2C2CC2)CC1 31455314 BVKVHJGVZXQHND-UHFFFAOYSA-N 447.546 0.692 30 20 ICED Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)c(C(N)=O)c1C 439574917 SWTQQCUNVDNMRY-UHFFFAOYSA-N 425.424 0.490 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCOC1 441920270 CQEAKNMUVZXHSC-CQSZACIVSA-N 447.944 0.865 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 445612757 KMWXHPLFNDUGPB-UHFFFAOYSA-N 437.504 0.562 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 446528897 HHTTYVYUXQYKGE-UHFFFAOYSA-N 439.451 0.896 30 20 ICED N#CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC#N)CC3)cc([N+](=O)[O-])c2)CC1 461657988 FYQPDIHGSFSWPN-UHFFFAOYSA-N 425.449 0.158 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 462009039 CPVAILHKLGASFS-UHFFFAOYSA-N 432.444 0.984 30 20 ICED Cn1c(=O)nc(O)c2c(C(=O)N3CCOC[C@H]3C#N)cc(-c3ccc4c(c3)OCO4)nc21 464803385 XTOZWFXGIQRADF-GFCCVEGCSA-N 435.396 0.794 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 470403380 GSOSNWCUGLLMFP-BHYGNILZSA-N 425.507 0.097 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCC(=O)OC 474339026 ULFYHPQCHSMFHF-UHFFFAOYSA-N 426.498 0.372 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2OC(F)F)c1=O 480284587 IUBJYQHBICOCCY-ZDUSSCGKSA-N 435.452 0.846 30 20 ICED CCn1nccc1N1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 481157069 UMKLAGSQGZKCNJ-PBHICJAKSA-N 444.517 0.753 30 20 ICED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 486624668 DXHGYQYMWMFWSF-INIZCTEOSA-N 433.527 0.900 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 487660992 XSKBSXGXXBTTDN-MJGOQNOKSA-N 439.524 0.668 30 20 ICED CN(CCC#N)S(=O)(=O)NCCCNS(=O)(=O)c1ccccc1Br 510450600 VYKJTAMECFBFLY-UHFFFAOYSA-N 439.357 0.797 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3c2OCCCO3)c1=O 510691415 RVAQVLHKPHXKEN-UHFFFAOYSA-N 440.521 0.962 30 20 ICED CN(C)S(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 517266948 BBLTUUKMMQYKKK-UHFFFAOYSA-N 436.515 0.403 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 532099182 ISDFXUKJQZFLRA-UHFFFAOYSA-N 436.896 0.463 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 532105121 AVJCWJVGWZANBH-CQSZACIVSA-N 442.501 0.394 30 20 ICED C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532576674 BNTIDJYBEUQWIC-GJZGRUSLSA-N 447.517 0.962 30 20 ICED Cn1cc(I)c(=O)n(C[C@@H](O)COc2ccc(CC#N)cc2)c1=O 535134886 OPORRXPFBMKIPM-GFCCVEGCSA-N 441.225 0.658 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 544302229 VSJKYNYGOCYUJF-UHFFFAOYSA-N 443.460 0.409 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)C1=O 553045887 NHMOXOQMGWMMBL-IBGZPJMESA-N 439.516 0.382 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 561788117 ZLENLWCEIIJYEO-LJQANCHMSA-N 444.555 0.878 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)n2)cc1 563314828 VZYZVMAYGHGUET-CQSZACIVSA-N 449.393 0.806 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 568795838 HGKOYGXBRJARJT-UHFFFAOYSA-N 428.470 0.914 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571697163 RIPSXETVEZIMCO-GOEBONIOSA-N 428.536 0.061 30 20 ICED CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577272887 XCYZQCVCDGEXEN-QGZVFWFLSA-N 428.489 0.966 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)CC2)c1 582440434 QKTGVMAJFHGXQX-IBGZPJMESA-N 438.532 0.899 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccncc2)c1=O 603795978 XYTSNDVBOJQTJS-UHFFFAOYSA-N 428.514 0.093 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CC(C)C 603796697 YMYQVFNWXATLLU-UHFFFAOYSA-N 445.541 0.849 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 609199928 ZYDNCHKSDZHJDS-INIZCTEOSA-N 429.525 0.843 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](C#N)c2ccccc2Br)n(C)c1=O 609590679 DVRLDVZDCXVOTF-LBPRGKRZSA-N 431.250 0.577 30 20 ICED COCCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 610557194 AWJHQBRGZPHNGI-HNNXBMFYSA-N 444.535 0.546 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 727162793 WTJZEWIPZXFDPX-UHFFFAOYSA-N 444.582 0.928 30 20 ICED C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(S(=O)(=O)N(C)C)c1 732461038 KUXZDEIZIGASQY-XAGMJWQQSA-N 435.506 0.824 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)cc1 734701281 IKBNQOQHNUJDAN-LFVJCYFKSA-N 449.533 0.600 30 20 ICED Cn1c(=O)c2cc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)n(C)c2n(C)c1=O 743732976 ZDVUNNPERLPQOU-UHFFFAOYSA-N 436.472 0.661 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1 744014257 RDIKFLNSFYJVAY-UHFFFAOYSA-N 435.483 0.539 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)n(CCOC)c1=O 753788330 LNQXVJHJTGGBNA-CRAIPNDOSA-N 443.573 0.971 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)[C@H](C#N)C1 755544894 GRKWDDRCBVTLTB-CZUORRHYSA-N 445.476 0.755 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)cc1 758180744 GQHQMIHTLPUHDE-UHFFFAOYSA-N 430.486 0.861 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 758641796 MWBDFXGOUZLUSJ-SMDDNHRTSA-N 430.508 0.371 30 20 ICED CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1=O 760267495 FUTAJWJTTIHTPR-UHFFFAOYSA-N 426.432 0.474 30 20 ICED Cc1cc(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)n([C@@H]2CCS(=O)(=O)C2)n1 761213050 SIYANPICXJNNBX-OAHLLOKOSA-N 445.453 0.813 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 766559654 MCBFEAVXOJGDLR-WZTHKDHVSA-N 444.517 0.835 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCCO1 775785935 SUCIPWLNLGNCAA-MSOLQXFVSA-N 436.490 0.198 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 781380870 JJFDAQSRVRFPHB-UHFFFAOYSA-N 437.448 0.752 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 783346585 GDBRYMAAYPCTPU-UHFFFAOYSA-N 438.897 0.849 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 783541758 KCFUBRXFSDMNAM-MRXNPFEDSA-N 445.519 0.855 30 20 ICED Cc1cccc([C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)c1 787611741 HCOKSCFIYCXASI-HXUWFJFHSA-N 436.516 0.980 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)CC2)c1C#N 788077035 HQTSJXORHAYFMV-UHFFFAOYSA-N 441.510 0.654 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)NC(=O)CO4)nc2)CC1 788702771 BYDKCCXTBZCPKR-UHFFFAOYSA-N 430.490 0.795 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCS(C)(=O)=O 795197054 GANZOMRIFMFKEF-LBPRGKRZSA-N 436.559 0.115 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2cnccn2)CC1 795918011 KDUYCYAQWSADOG-UHFFFAOYSA-N 443.485 0.357 30 20 ICED C[C@@H](CC(=O)NS(=O)(=O)c1ccc2c(c1)CCO2)/N=C1/NS(=O)(=O)c2ccccc21 797257065 AWVFBKONUIHAIV-LBPRGKRZSA-N 449.510 0.944 30 20 ICED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)[C@H]1CN(Cc2ccccc2)CCO1 807468860 BXMADVZGGYLQGS-FXAWDEMLSA-N 436.516 0.887 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 811252816 BCCGYGRMJQRCEP-UHFFFAOYSA-N 428.470 0.784 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)cc1 816744796 DDYIQBIPXJYPED-ICSRJNTNSA-N 448.589 0.905 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)cc1 917075040 CKHQAQDYYLTSQF-UHFFFAOYSA-N 427.442 0.810 30 20 ICED C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 917795144 SBCDFWLSAHQYMV-INIZCTEOSA-N 449.536 0.614 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1 918432176 WWPNIJOXUURBGU-WYOZQYPVSA-N 449.533 0.552 30 20 ICED N#Cc1ccnc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1167997062 VEZVBSIDEFSAFB-UHFFFAOYSA-N 428.518 0.691 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1288825765 LHSLVSWHRXFTNJ-RHSMWYFYSA-N 441.533 0.195 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)c1 1302430729 YAXGETZELIXJPP-MRXNPFEDSA-N 447.517 0.619 30 20 ICED CCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1313984255 UKGKVJKFOLTIML-QGZVFWFLSA-N 425.493 0.943 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 1319895151 QFUUZRUFECANTA-SFHVURJKSA-N 428.518 0.487 30 20 ICED COc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC(F)F 1341899105 QIPSWIALLBKPPS-NSHDSACASA-N 432.401 0.885 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359143041 SOOVFZLZWQGHTH-SDDRHHMPSA-N 427.980 0.899 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1360680783 IKLKNXLVXPCZCG-ZLIFDBKOSA-N 426.474 0.831 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCN2CCCO)cc1 1555991379 SJHZXESDLYHZAA-GOSISDBHSA-N 439.520 0.512 30 20 ICED COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1619780381 ZXYSBWGRUVXSBB-KKSFZXQISA-N 428.493 0.828 30 20 ICED CCOc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1634496895 WGXHCOSZWHCCQO-UHFFFAOYSA-N 429.502 0.979 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691206635 MKDPYFOFNQWOKC-HOTGVXAUSA-N 428.541 0.711 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCNS(C)(=O)=O)CC2)c1C#N 1707808062 YFTSDZUMSUPHJY-UHFFFAOYSA-N 449.585 0.365 30 20 ICED CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)COC2)c1 1711019120 UOKQGCMPZFYWEH-INIZCTEOSA-N 446.533 0.961 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1711222331 UGDOQZHMKDAOJF-UHFFFAOYSA-N 441.521 0.388 30 20 ICED CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711404616 NQZODJGLLFGFGC-GOSISDBHSA-N 437.504 0.986 30 20 ICED COC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1712150282 PFCHKTUPUZBRJV-JKSUJKDBSA-N 435.506 0.739 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1722480065 OJBIJUAOFJYMIM-MNOVXSKESA-N 435.348 0.464 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777953359 OTKYTSKVUQAEIE-NRFANRHFSA-N 427.461 0.682 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777983718 NUJGIMYABUOBJO-WHSLLNHNSA-N 438.525 0.457 30 20 ICED Cc1cnc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)/C=N/N5CCCCC5)C4)C3)cnn2c1 1779020090 XVCLXZXBWCHAGB-YGPNGPECSA-N 439.520 0.953 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779068840 KWLAVMJQOKTUDF-REWPJTCUSA-N 442.468 0.363 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181268 ZIWNOQGSPREFCW-MRUHUIDDSA-N 446.508 0.226 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1779323709 QEXLIFPCXLJOBQ-JUOHCQIYSA-N 427.505 0.570 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779444924 XOHSQSOYDCHWGN-VNKMCGJASA-N 443.460 0.727 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1779897218 BYXBVFMFXXUWDY-CFFCXZSUSA-N 433.465 0.458 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)c1 1780396454 WGIXAMPYXOAWIE-OAQYLSRUSA-N 426.429 0.804 30 20 ICED COc1ccc(COCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1782304186 WLCDQGNVEBWXPJ-AUSIDOKSSA-N 444.484 0.814 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1783561677 FSAQBXYOHZAMPD-HNNXBMFYSA-N 428.264 0.437 30 20 ICED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)CCC1=O 1784979587 DIYVEHRAECRVEB-LNLFQRSKSA-N 444.532 0.273 30 20 ICED O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787082033 AZSDSHLYEDMFNV-NRMBDNKZSA-N 442.472 0.701 30 20 ICED 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)C1 1788223869 RIPLYIAUMXLLFO-JYJNAYRXSA-N 449.504 0.311 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](S)C(C)C)C[C@@H]32)CC1 1788245221 BZDYTSKKGGOJGO-CGBFIWBNSA-N 440.610 0.085 30 20 ICED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788628042 QWMOSXZFZDMHIC-AIVVUWBTSA-N 440.504 0.969 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788658766 OCIFUIKYZMPTJH-IUDWETPCSA-N 443.566 0.654 30 20 ICED COC[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 1791259069 NGSCMZDCXWUUFL-YXMSTPNBSA-N 445.582 0.824 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793227982 KOQKNKBYQVURJO-ROPHOZQPSA-N 429.517 0.939 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796043413 PPPDUBUENOEZNT-LVQVYYBASA-N 427.571 0.234 30 20 ICED C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)NCCC#N)C4)n[nH]c21 1796972365 XRHRXCRZSPAGPM-AFIMGQEJSA-N 428.537 0.944 30 20 ICED CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808378 CUVNJKYOAFPHHJ-YGIWGEJLSA-N 445.520 0.880 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)c1 1799749425 ZUHUSKBQTBXEOD-VTEUUUEMSA-N 441.419 0.475 30 20 ICED C#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)C2 1802125288 SAJWSTKALHTERP-ADHGMGHFSA-N 437.537 0.510 30 20 ICED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1803603662 JXTVSBCIHNKTRX-DIECFANBSA-N 433.534 0.640 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806839897 ATVJEQIEJJSWKC-OIISXLGYSA-N 433.534 0.719 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)ccc1F 1807059091 MDRIKZMNJBWKBZ-HRAATJIYSA-N 437.479 0.824 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1 1809226157 XXZMWKWCCNXICC-NJAFHUGGSA-N 433.472 0.877 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1810358756 VGTBNYPBKPZPQU-KHGMKUEQSA-N 441.492 0.908 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1812881687 ZJSHCSJSUZQVAM-OWCJACQVSA-N 428.445 0.704 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@](C)(O)CC(=O)O)[nH]n1 1814439576 PXKJIBVYQQPACJ-WNJCHPQMSA-N 447.492 0.876 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1819427177 DYUJNWNLZXCLPE-RYQLBKOJSA-N 429.521 0.823 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032448 LZAXVNORLMNMBS-QWRGUYRKSA-N 430.490 0.849 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=O)N(C)C)CC1 1823743257 AEKLWQGDNRATBB-GIFJBRJJSA-N 433.553 0.736 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)c1cccs1)CC2 1825664030 OUDIORBYHSJBQC-SNVBAGLBSA-N 432.483 0.635 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cnn(C)c3)sc2C1 1826933245 MGHVMEFFYYLPCK-LMVHVUTASA-N 428.518 0.890 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 1829763952 GKTSNGCLSUDFJS-RHVSLNNASA-N 428.489 0.318 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1831399159 QFQMSQARPLNFFZ-YCRPNKLZSA-N 449.435 0.842 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1831399214 RNCQKDFLUNUYQU-QMHKHESXSA-N 441.484 0.290 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1831426028 FBVLXVASSFHDRA-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832348117 XEUVXGSLKFHTJR-PGRDOPGGSA-N 438.521 0.911 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1832462026 DFUYYHKZJVXKKO-XLIONFOSSA-N 427.567 0.667 30 20 ICED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833195400 DQERZDOAEPUHSM-XMSQKQJNSA-N 446.552 0.257 30 20 ICED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834229920 FGUWPAUGJGUKMJ-HSZRJFAPSA-N 437.500 0.995 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cnc2s1 1834761099 WGBHCUXBDHKKJR-LJQANCHMSA-N 431.474 0.048 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835374138 GROVMVJEPNXUHB-DEOSSOPVSA-N 425.529 0.980 30 20 ICED Cc1nc(F)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677248 CSAWMRJWJJGZJC-JOCHJYFZSA-N 447.511 0.881 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cncn3)CC2)CC1 1835718587 QSKKCNKAYBBPOV-LPHOPBHVSA-N 432.569 0.984 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3c(n1C)-c1ncccc1OC3)CCO2 1836262458 KENQHNQBLOYUPO-HSZRJFAPSA-N 436.468 0.683 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837397383 PTNBAXLNLABWEI-FDDCHVKYSA-N 446.548 0.932 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837477322 MJPVNNUUKGWRKY-CSODHUTKSA-N 433.509 0.325 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1CSCSC1 1837570186 GJVGBXWLLQXYOF-KXBFYZLASA-N 440.591 0.790 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817930 RXQKPFOMZQZKHX-XGVOGHQPSA-N 448.476 0.386 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n[nH]1 1838661552 JVIPLLNYSPTYLI-XLKFECATSA-N 435.481 0.317 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)C)[nH]n1)CCO2 1838692473 QYPAMSVWOLTHKC-QJKPHDSHSA-N 445.520 0.462 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1)C(F)(F)F 1838728752 GJMALZPDDVTUMN-UHFFFAOYSA-N 449.426 0.647 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)cc1 1838949640 MYNXJFDYTWMXOY-DENIHFKCSA-N 425.441 0.955 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)ccc1F 1839187115 KNFSGCBWJJWKAM-CECAUBDESA-N 431.464 0.467 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224626 WCIWHUFMHOJKDO-OJCVGBIZSA-N 425.482 0.363 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1839225442 JURMTRIEYJINQD-IIBYNOLFSA-N 444.492 0.600 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453505 OLLDUOHBZAZSFF-AOMKIAJQSA-N 428.489 0.461 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718547 AIONKOJKMNZBSP-KKSFZXQISA-N 448.476 0.425 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840295145 YYHUCYNJQZNSFH-OAQYLSRUSA-N 432.477 0.211 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2Cc3nccnc3CN2C(=O)OC(C)(C)C)C1 1846555518 ABIXTENFFSYBMM-KRWDZBQOSA-N 425.489 0.975 30 20 ICED Cn1c(=O)c2nc(Br)n(C[C@@H](O)COc3ccc(C#N)cc3)c2n(C)c1=O 11183354 SELIOWZDELQPMN-LLVKDONJSA-N 434.250 0.508 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCO1 409504312 VCBWRPHLVGWVET-KBPBESRZSA-N 432.424 0.865 30 20 ICED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 409524057 WFFSQRYLJVGITA-UHFFFAOYSA-N 444.535 0.244 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCO1 409594802 NWVCCEJFVGCQNN-RBUKOAKNSA-N 434.566 0.385 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC(S(N)(=O)=O)CC1 439401539 DOEIVMFPMJDRAB-UHFFFAOYSA-N 429.458 0.964 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 442423209 WNVSKNYNCKWQHD-UHFFFAOYSA-N 447.473 0.558 30 20 ICED N#Cc1cc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 446517040 BZSAYCJBEOJYIT-ZDUSSCGKSA-N 449.407 0.446 30 20 ICED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 447447362 CPWGYPWEEIFRCK-ZIAGYGMSSA-N 427.404 0.971 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460946003 CMQVTSUFEPZBKO-HZPDHXFCSA-N 439.586 0.207 30 20 ICED N#CCN1CCC(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 464802138 MHZWJFGCNNQMTF-UHFFFAOYSA-N 434.562 0.992 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 465401958 HTSVBHSKJMZZSQ-CQSZACIVSA-N 434.460 0.554 30 20 ICED CN(CC(=O)NCCN1CCc2ccccc2C1=O)S(=O)(=O)c1ccc(C#N)cc1 466513054 GRHSNXLNEQOUGO-UHFFFAOYSA-N 426.498 0.993 30 20 ICED N#CCCN(C(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(Cl)c1 470219742 MMQVVXBKXSKMSG-ZWKOTPCHSA-N 440.953 0.674 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 479650508 UTVJRIBRTCEOCU-FQEVSTJZSA-N 427.549 0.214 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480952217 MWLVZQBBCPUUBZ-UHFFFAOYSA-N 445.526 0.448 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 481790761 BFIQMWARGXCJIX-OAHLLOKOSA-N 432.506 0.392 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 486251406 MVQDCNKVSPDXOC-KRWDZBQOSA-N 447.455 0.426 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2)c1=O 488078187 UFACOUQCEJAKNP-UHFFFAOYSA-N 445.566 0.326 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](S(C)(=O)=O)C3)nnc12 504192691 ZPNXSCCKMSMQLV-ZDUSSCGKSA-N 447.542 0.968 30 20 ICED C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508480922 LLQZKESWDOMMSO-UHFFFAOYSA-N 425.493 0.342 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C)CC2)C[C@H](C)O1 508589534 FRYNJDMJOBMFPB-HOTGVXAUSA-N 445.549 0.830 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C1=O 509523414 JYTWXAISVQSXEK-AZUAARDMSA-N 427.549 0.559 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 515437975 UZFPDFUGVFKNML-SFHVURJKSA-N 435.956 0.505 30 20 ICED Cc1nc(C(C)(C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 533505182 CQIWCOXOLZEOJG-UHFFFAOYSA-N 432.506 0.608 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 535545563 KUGMYTULPXVCEW-UHFFFAOYSA-N 445.549 0.261 30 20 ICED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1=O 541826503 VCDKOMINXXCKJJ-OAHLLOKOSA-N 431.536 0.864 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cccc(S(N)(=O)=O)c3)CC2)o1 543063142 KURXBPBUMBZOTN-CYBMUJFWSA-N 432.506 0.502 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544014996 QHCCAMGQCNFXCU-QGZVFWFLSA-N 444.517 0.220 30 20 ICED Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 544862870 BHQIUALOTXCYRF-UHFFFAOYSA-N 435.423 0.664 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 547415126 CVHUZIZSOSXHEX-KBPBESRZSA-N 440.460 0.976 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(C#N)cnc3c(F)c(F)c(F)cc13)C2 557656567 CDGDQYHIOWPSFH-UHFFFAOYSA-N 431.378 0.990 30 20 ICED Cn1cc(-n2cc(C(=O)[C@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)ccc2=O)cn1 577804517 LFJXMNHZKNYTHW-INIZCTEOSA-N 427.428 0.994 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 579261605 UDPYNPIXRDCPHX-MRXNPFEDSA-N 443.485 0.822 30 20 ICED COc1cc(CNCCS(=O)(=O)c2ccc(C#N)cn2)ccc1OCC(=O)N(C)C 583228147 FFZYHFWSPIHFEP-UHFFFAOYSA-N 432.502 0.992 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 589809770 QOYBACLWIWHFDG-HUUCEWRRSA-N 437.518 0.636 30 20 ICED Cc1cc(N2CCc3nn(C)c(=O)cc3C2)c(C#N)c(N2CCc3nn(C)c(=O)cc3C2)n1 590583849 GYVPRTXASLIKLM-UHFFFAOYSA-N 444.499 0.575 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 603793281 USVOMUWADLONOW-UHFFFAOYSA-N 443.525 0.769 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1[N+](=O)[O-] 609311608 KUEZUDGYIIPNCG-UHFFFAOYSA-N 426.454 0.943 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O 725765477 BPATXDDUFGGHQO-JOCHJYFZSA-N 433.472 0.599 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCc3ccccn3)c2=O)cn1 726182353 QUBVCHKKWLXBJU-UHFFFAOYSA-N 448.552 0.843 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1=O 726185817 ZWCOYDHDJUHNBN-KRWDZBQOSA-N 444.467 0.536 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 749652314 BSXOAMMPXHBCTL-UHFFFAOYSA-N 425.532 0.901 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 751554304 MCLHQKQWCIXJFJ-UHFFFAOYSA-N 445.541 0.910 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CC1 754619718 YRTUCBAEUJTHIR-VGSWGCGISA-N 439.472 0.888 30 20 ICED CCOC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759948599 NWKPLJFJAFGWAI-SCLBCKFNSA-N 437.518 0.978 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 765908042 QIYHLWFAFIPEJL-HDHZYAPQSA-N 447.517 0.271 30 20 ICED CC(=O)Nc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769218726 YERUDPODIYSNFV-UHFFFAOYSA-N 430.442 0.977 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cn1 774584031 WPHMRKJLENCVJW-RRFJBIMHSA-N 436.538 0.606 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777469566 GLFCHZRYWYQEAZ-CYBMUJFWSA-N 441.535 0.049 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCOC)c2=O)cn1 781653049 FKADIZVPVHRYAE-UHFFFAOYSA-N 430.530 0.661 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 783462549 PBITXOZSUPWOJB-UHFFFAOYSA-N 427.424 0.873 30 20 ICED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 784870791 AANUCDRPDSGVOQ-UHFFFAOYSA-N 433.486 0.140 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)n2)cc1 789600335 PNSQWLVOAOJMCP-UHFFFAOYSA-N 439.885 0.799 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 801047511 GGLNSZIIWIUVCD-UHFFFAOYSA-N 427.907 0.657 30 20 ICED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 804986511 MCPMAYOJSCUYRO-UHFFFAOYSA-N 437.490 0.919 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)[C@H]1CCCO1 809310965 FCHWOEOGHLPPSO-QZTJIDSGSA-N 445.516 0.654 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cc(CO)nn1 811598623 WSSQHUOQFYEQHN-MRXNPFEDSA-N 434.522 0.574 30 20 ICED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 917922076 KNHWXVXEBHGBFV-UHFFFAOYSA-N 429.454 0.742 30 20 ICED N#C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1309998896 MKCCFNNSNBUIRU-ZFWWWQNUSA-N 426.520 0.919 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1=O 1314930501 OPICPRODDLTSPJ-UHFFFAOYSA-N 440.504 0.939 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1322456539 RYCPPDVNIZQKNS-UHFFFAOYSA-N 429.505 0.749 30 20 ICED CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541219086 POJBAWOEFZCMQS-HOTGVXAUSA-N 444.540 0.930 30 20 ICED CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1618847286 OLYZHBWUFNITNA-QGZVFWFLSA-N 434.522 0.752 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1698029679 ZFAZEGFHSOMSEV-HXUWFJFHSA-N 441.536 0.736 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1706832375 MOBPMRJJFJWNMW-YWZLYKJASA-N 432.550 0.753 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1707956728 ZUKCVYPHBGMJQR-VFNWGFHPSA-N 426.477 0.547 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1747544274 QYBVVFAWKGEFFG-UHFFFAOYSA-N 441.492 0.112 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749269314 PSTBJLIOLSFOAH-GJZGRUSLSA-N 443.957 0.760 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777887147 SSFBKIYIJQLTNV-MWTRTKDXSA-N 438.484 0.415 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1ccccc1=O 1779138818 GXRNXJSBHRPSMG-PHNWRZMHSA-N 426.473 0.951 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1779189066 PMJRFQOQPIDVLX-NBGIEHNGSA-N 449.507 0.939 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781791929 NJTYMYXDBVXAKS-NRFANRHFSA-N 429.546 0.680 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(CO)on5)CCO4)C3)c2c1 1782196685 CIHHYVNRKBADQQ-NRFANRHFSA-N 436.428 0.672 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)c2ccccc2Cl)C1 1782391461 XQLKJXGOMJDYOK-OZOXKJRCSA-N 434.876 0.975 30 20 ICED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1785324730 HRBFVGUFUOWAKX-IFXJQAMLSA-N 426.539 0.986 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1785572492 LLXFDFMWHKGTHE-VGSWGCGISA-N 445.520 0.630 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788375227 DCTQXIYNUZSYQL-BZSNNMDCSA-N 441.488 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1F)C2 1792489674 HBCNMFWYTZNURJ-ZVDPXCMSSA-N 433.455 0.955 30 20 ICED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)c2ccccc21 1792631155 GPMCSLXYONZZEE-CCWDJLKJSA-N 425.489 0.479 30 20 ICED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793472196 GLGGMYZABZJDEJ-RMFSNUHRSA-N 444.507 0.992 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1796316513 HZVAEGYWONVERJ-AJYBTWMASA-N 427.505 0.527 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796995053 DJYFUUSFNQZXKX-OAFZBRQQSA-N 438.484 0.175 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1I 1798792687 OQBDAALOIOFEBZ-ILWJIGKKSA-N 442.213 0.354 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1cccnc1 1801404590 XQUVXXOZZYNHRD-LJCCNALRSA-N 431.489 0.948 30 20 ICED Cc1noc(N)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991232 KGZMIDHLKXJANP-CCWDJLKJSA-N 425.445 0.719 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1802482666 OPCBMMUQHWJZIE-KLCWCRIBSA-N 441.532 0.278 30 20 ICED CC(=O)N[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)(C)C 1803383674 LNWIBDCQWHYPCN-LSTHTHJFSA-N 428.489 0.726 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804345509 YZUBIMNEVWJKSB-XQBPLPMBSA-N 445.479 0.737 30 20 ICED O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807611590 WCIFLZRZXOSAEU-HLJUNZPOSA-N 425.497 0.246 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1808439953 DMUFSLMHXYLKKP-ABSDTBQOSA-N 428.489 0.875 30 20 ICED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)CC1 1815671357 OOUAKUVBKDLZQQ-OAHLLOKOSA-N 434.522 0.436 30 20 ICED O=C(C#CC1CC1)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817270264 DKOJFOGJVHKEQA-CQSZACIVSA-N 436.559 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNC(=S)NC)n[nH]1 1819405454 WBJYOVWVNCCUHQ-ZPIQOJFGSA-N 447.565 0.744 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)n[nH]1 1819429423 KXGOHOMPLWNGLB-FSPWUOQZSA-N 448.476 0.935 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1822928016 DLJHFYNKTZTQJH-ZDUSSCGKSA-N 445.501 0.821 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824967266 GCRHYCGBFFJUQP-TUYSUELWSA-N 445.520 0.016 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824970564 SEOUQUHEWHCCKM-SJORKVTESA-N 434.537 0.731 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1828881680 JJFNSTISVHWTPV-SJORKVTESA-N 434.537 0.731 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830641818 CXLCQAHTAAHMBC-HSZRJFAPSA-N 434.581 0.459 30 20 ICED O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216634 WBJBJBZPRNWRHF-YSPNNUNSSA-N 435.480 0.892 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc(C)s3)C2)C1 1831403226 ZGKSZLKZBDVIMT-OFGRBQKGSA-N 433.530 0.959 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1831410580 CAJWLTQCTQXAFQ-RXVVDRJESA-N 435.525 0.353 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1noc(C)c1C)CCO2 1831970988 ZSCWSYGNZRIRPB-QEVIJRNUSA-N 432.477 0.220 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832295705 OTTAVMHBFAHPKF-MHRHTVJOSA-N 434.493 0.023 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1833092547 QSZFBYKLFOFRRW-JOCHJYFZSA-N 441.463 0.973 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833201217 IQKIPEYRMVKFOV-GCJKJVERSA-N 448.520 0.485 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835291621 XECBZZQTRSOAMR-LZNRXBQRSA-N 433.505 0.977 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1836848043 FVTRCNQALXENIZ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1837392381 DSNUUTZMSFTVBJ-XMSQKQJNSA-N 434.537 0.529 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837396334 BCQMBHQRPAQOMD-XMSQKQJNSA-N 435.496 0.793 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837403614 OWBKSAMSTZLKOA-PGRDOPGGSA-N 432.521 0.472 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1837524219 CAYDIVWYJPFLDZ-QUOJIARXSA-N 438.506 0.742 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837564499 SCXWJANNMXPRBA-YVABFXQFSA-N 442.472 0.872 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610101 ISQKQJXKOQTYLC-HOIFWPIMSA-N 445.520 0.264 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837700580 TUHOMXGTKVVPJJ-AOMKIAJQSA-N 426.473 0.319 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nscc13)CCO2 1839577728 UXMXUKZRRCOWTC-HXUWFJFHSA-N 429.454 0.454 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)CCO2 1840045427 JTIFCRABOIZJRN-VGSWGCGISA-N 435.521 0.866 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840174621 OKESQHBJKLPZFF-AOMKIAJQSA-N 433.480 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840246198 LSHAZGXYAXWIJU-CYFCJLBQSA-N 430.908 0.839 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)cc1 1840455245 HPEBZSGKAFLTFC-XMMPIXPASA-N 449.511 0.980 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813302 RPJBQAFIMOOWOY-QFIPXVFZSA-N 441.488 0.804 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840819078 NBEUSZUFFKCKBL-QFIPXVFZSA-N 437.456 0.497 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1845253670 XDKNTEIVJGIMFZ-OAHLLOKOSA-N 428.555 0.662 30 20 ICED Cn1c(=O)c2nc(Br)n(C[C@H](O)COc3ccc(C#N)cc3)c2n(C)c1=O 11183350 SELIOWZDELQPMN-NSHDSACASA-N 434.250 0.508 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(=O)NCCC 18760773 CRNOCUNHMBYEQJ-NRFANRHFSA-N 428.445 0.931 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 440339861 KALRVTZDRCPECJ-OAHLLOKOSA-N 425.580 0.925 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O 460586877 YJCHQMXAEVAZPP-UHFFFAOYSA-N 443.423 0.798 30 20 ICED C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462040345 QXDXUIMHDUAWFK-DQDQBAQVSA-N 426.448 0.897 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 474344311 IMWJTWROFATKRX-INIZCTEOSA-N 444.557 0.694 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2NCCOC)C1=O 476940832 AVLXZVFGPHIJIO-UHFFFAOYSA-N 438.462 0.064 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C#N)s2)c1=O 482549985 ILBOXFYVLDWKNA-CYBMUJFWSA-N 426.523 0.827 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2=O)cc1 487169430 UUHVYYKFMJUVQP-FQEVSTJZSA-N 438.532 0.609 30 20 ICED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1F 489014941 SCCXSRVYWQBPHJ-INIZCTEOSA-N 445.538 0.597 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1 503441554 ZBCKSISWBWCONA-UHFFFAOYSA-N 447.970 0.010 30 20 ICED COc1cc([C@H](C#N)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 505548028 XLCPGDYMQIQDSA-TZFWXBFWSA-N 429.429 0.556 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)ccc3F)c(=O)n2C)CC1 512790519 OALFYCBNHAJQCV-UHFFFAOYSA-N 434.924 0.906 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 531990068 PSHABMPMPOOPHF-LBPRGKRZSA-N 427.442 0.920 30 20 ICED CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 535138168 OGSCHMNRBHBCQL-UHFFFAOYSA-N 438.487 0.206 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 536346858 ZHCVOEXHWNUHKF-VDGAXYAQSA-N 442.541 0.977 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 537817067 NKTPQIUWLIZMLR-IBGZPJMESA-N 426.498 0.960 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1 550173983 OQCWXOMYQUFOLQ-UHFFFAOYSA-N 441.576 0.735 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 550912400 SMQPGMDDHIKCBW-UHFFFAOYSA-N 433.516 0.778 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 551497762 FCUHRPYLOOHSAK-VQTJNVASSA-N 433.516 0.798 30 20 ICED COc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 554053769 JAKWJXHMSDHMHM-UHFFFAOYSA-N 435.466 0.001 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCOc3ccc(F)cc3)CC2)c1C#N 557192934 JFSBIFWTKKADRN-UHFFFAOYSA-N 428.468 0.973 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)ncn1 562163929 KNMKSAZMSBOLCV-IBGZPJMESA-N 448.531 0.739 30 20 ICED CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 563613727 NHJCGXJNOZIRGC-UHFFFAOYSA-N 444.469 0.789 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 575336387 GEIGZPGASDENHY-UHFFFAOYSA-N 448.531 0.194 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)c1 575630469 NMFLLIWRJPMUGQ-UHFFFAOYSA-N 427.428 0.693 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 600879331 VSLRDFOCURBDRV-UHFFFAOYSA-N 439.907 0.999 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)cc1 609939278 CDNFUEYSVIRLMA-UHFFFAOYSA-N 445.476 0.628 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)CC1 610682552 RBXCADFHQNCCPB-RTBURBONSA-N 448.545 0.271 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 611005770 RIYPCZONAYQLJB-INIZCTEOSA-N 429.458 0.834 30 20 ICED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611429052 OFLBODAYUUSOHX-HXUWFJFHSA-N 430.528 0.288 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCNS(C)(=O)=O)cn1 726112247 WXUXCQHESMEHCB-CQSZACIVSA-N 442.567 0.443 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673518 TYDQCSFRFFWYDR-UHFFFAOYSA-N 433.555 0.291 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(Cl)c1OC 730439413 JHRMDSXNIZZOFS-UHFFFAOYSA-N 432.889 0.695 30 20 ICED COc1ccc(CN2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910901 WDTLUOSSQFVVKA-RDJZCZTQSA-N 433.486 0.010 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742175493 VSJVKMHNUZZURO-UHFFFAOYSA-N 448.526 0.919 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(N)(=O)=O)s3)CC2)o1 745252534 JEWMZLWOXYMBAU-UHFFFAOYSA-N 439.475 0.069 30 20 ICED COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 746119588 MMSSVBSYKKCAEB-MRCUWXFGSA-N 442.472 0.905 30 20 ICED COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 746762317 XDXAPWBDJIWNPF-VCHHOEMESA-N 447.473 0.466 30 20 ICED Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 758639564 FRCALYGPDVROLT-UKRRQHHQSA-N 433.494 0.914 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@H](C#N)C1 758764429 WFUULFJTWOVJDL-IAGOWNOFSA-N 434.541 0.695 30 20 ICED C[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NS(=O)(=O)c1cccnc1Cl 760572676 DSEAFRHHXGOTMF-ISOHDOPZSA-N 441.897 0.435 30 20 ICED CN(CC(=O)NS(=O)(=O)CCCC#N)S(=O)(=O)c1ccc(Br)cc1 776116240 MSHCHUZLZMRCBT-UHFFFAOYSA-N 438.325 0.819 30 20 ICED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 776119262 GVGYZAXPEMUGKG-ZDUSSCGKSA-N 444.491 0.745 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)nc12 782940589 IJBRWPDMIHBTGA-WBVHZDCISA-N 439.403 0.693 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 783465003 QBZPYIDDNHAHSL-UHFFFAOYSA-N 429.436 0.966 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 783481965 SFOLUBULBHHJLG-ZWOKBUDYSA-N 447.557 0.883 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCn2cnc(C#N)n2)cn1 795183276 IAXIHDBHFGVBNZ-CQSZACIVSA-N 427.494 0.667 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)n1 799262800 CTPFRWAOJTZOHW-UHFFFAOYSA-N 425.445 0.485 30 20 ICED C#CCN=c1nc(N2CCC(n3ccnn3)CC2)[nH]c(N2CCC(n3ccnn3)CC2)n1 804587984 JECDUWSWNYLILG-UHFFFAOYSA-N 434.512 0.205 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)n1 807912536 KHZCLLHJWRPTGA-INIZCTEOSA-N 428.468 0.421 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 862424622 VZBSBGIOGPJDEC-ZDUSSCGKSA-N 447.469 0.256 30 20 ICED CN(C(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1(C#N)CCCCC1 904527432 WGHURLYWOFSPKR-UHFFFAOYSA-N 426.481 0.964 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 906486007 PAOJLAXOFCDVPG-FQEVSTJZSA-N 447.496 0.136 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916870373 IZRFDDKQPABQDG-GJZGRUSLSA-N 426.495 0.554 30 20 ICED COCCn1cc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 918447173 CQEDGBHWGQXONI-QJOMJCCJSA-N 448.505 0.920 30 20 ICED COCC(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 918598087 ZLBFDCSYZFUQLP-MRXNPFEDSA-N 436.534 0.457 30 20 ICED CN(CCOc1ccccc1F)C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918872382 KXERVRWMLDFNBA-UHFFFAOYSA-N 449.460 0.945 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(N=Cc3nc4c(c(O)nc(=O)n4C)n3C)C2=O)cc1 920368407 ONGFNVWFTPJXHI-IBGZPJMESA-N 425.405 0.182 30 20 ICED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408306 LHYCQYLHXPCSBY-PBHICJAKSA-N 440.547 0.020 30 20 ICED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1146298108 JDSIYASKBVDSND-UHFFFAOYSA-N 431.522 0.335 30 20 ICED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1288276318 IMYANGLGXABVRC-KRWDZBQOSA-N 427.506 0.170 30 20 ICED C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1303947745 WHBPBODCKHDYTE-QRWLVFNGSA-N 428.518 0.953 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1314874303 ZGTSWAKJLATODE-UHFFFAOYSA-N 431.522 0.328 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)CN1CCCC1=O 1324138220 CGRBQUJXHWWKNN-HNNXBMFYSA-N 436.534 0.385 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1540998028 LIGOYDASFKLWRC-OPAMFIHVSA-N 440.504 0.937 30 20 ICED CCS(=O)(=O)NCCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1617383871 RKIHUCIYAVNAET-UHFFFAOYSA-N 434.526 0.590 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1656572590 VHHBWNZTHPOTPR-UHFFFAOYSA-N 430.486 0.594 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1691003689 KMWYKFDWOODERJ-DLBZAZTESA-N 439.586 0.693 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCSC1 1692795593 OLNAXMOFCPOOQY-SQWLQELKSA-N 439.611 0.818 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1706748958 MUIYCXGKABJKQR-KGLIPLIRSA-N 441.583 0.346 30 20 ICED COc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1711639295 WKKLEJFUUVJUFY-HOCLYGCPSA-N 434.522 0.982 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 1724009746 HHJNSNXAKIQUSW-OAHLLOKOSA-N 438.554 0.656 30 20 ICED CCN(CC)C(=O)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1764868115 LGZLXNQOFMVXFI-KBXCAEBGSA-N 443.549 0.979 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@H]1OC 1771338836 ONTOPSBDZMEBJD-HDICACEKSA-N 436.476 0.820 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778627 PFZRKKKKMCAGSD-WWCXEQRYSA-N 442.476 0.930 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020586 QWRVFOBTERIDQA-KURUZVKSSA-N 437.541 0.813 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779068520 CFMHPJOTCAUTFD-QHCPKHFHSA-N 426.517 0.938 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cc1 1779104814 FJGQEGAOVZREBK-KPSNGJBRSA-N 444.488 0.758 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1779105178 KSWKKQLTKFHBQU-QUOJIARXSA-N 435.437 0.895 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398058 FIELWJYALCSONV-DENIHFKCSA-N 433.549 0.725 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779881208 UZUWMKXMSSRZMX-CMJOXMDJSA-N 448.483 0.960 30 20 ICED CCOC(=O)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)ccn1 1780172097 QYGDXKRRQBBSIV-VGOFRKELSA-N 443.456 0.474 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1780331978 GJEJSLNKHQWALT-FQEVSTJZSA-N 443.485 0.442 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3noc(-c4ccccc4)n3)C2)C1 1780892183 CSOCGRKALGRKMN-JOCHJYFZSA-N 438.440 0.587 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298631 MAAXBAWVFYHSMV-LAUBAEHRSA-N 431.468 0.517 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1781395431 ALIQLXISGWVBKL-JTSKRJEESA-N 447.536 0.918 30 20 ICED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1781786865 COXHWJUFQZQLOE-LXSUBRDJSA-N 438.525 0.554 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1781968124 DYZJXIXAIVAOHQ-GOSISDBHSA-N 442.369 0.819 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1F 1782017940 UYGVNVRFOOGLKA-XMSQKQJNSA-N 432.448 0.979 30 20 ICED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCOCCOCCOC)C2 1782200251 SIKUZVMTYKBOCD-DENIHFKCSA-N 442.553 0.773 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1)n1cnnn1 1784601142 CNLMTDHFKFJNOB-RBZFPXEDSA-N 435.448 0.126 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cccc1=O 1785375937 JTEUEUYTGPEXNU-HSZRJFAPSA-N 436.468 0.779 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786700508 HEQAYLFMTSFJNU-ZVZYQTTQSA-N 434.518 0.523 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(-n2nccn2)c1 1789291629 PFSGRMCEKPBAKN-IEZWGBDMSA-N 437.456 0.257 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1789891186 JFWYFAVCDFBWLV-ULQDDVLXSA-N 437.493 0.318 30 20 ICED CN(C)c1cccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791072688 VCRFOCCCVVGFNV-SNRMKQJTSA-N 429.473 0.199 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C 1794154615 VPFNEBSOHPOMMI-WQDJSCAQSA-N 442.516 0.740 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCN(C)CC2)c1 1795447337 QUAGRWVKZZTFEN-IUTQVRIDSA-N 439.560 0.707 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2)C(=O)O 1795640796 QZYKDFWNIVKNGI-BMQTXXJKSA-N 428.489 0.143 30 20 ICED C=CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)NC(=O)OC(C)(C)C 1796034715 ZLGMDMRQMHNFGC-JYYAWHABSA-N 448.524 0.867 30 20 ICED CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1797608588 XSMGUISECYSYAR-KOLGDFPGSA-N 443.529 0.796 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797782829 YIHWFIZFQHIRIY-RMFSNUHRSA-N 444.532 0.431 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784177 NRELRTXOXVRJSQ-FTEYMNFISA-N 429.521 0.202 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)c1 1797809148 CDAHVWLKOOEDOH-HSBZHZCZSA-N 442.516 0.167 30 20 ICED C[C@H](S)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 1800980737 FQYIMCSRNLXQKD-IGNRKKQASA-N 441.550 0.473 30 20 ICED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1801602296 HOCOXVAKHCHRDC-QKPAOTATSA-N 435.525 0.600 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807048064 NZZYIWBUBYRGOS-NWULXVQVSA-N 443.552 0.152 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809597136 DDTSGFNGSLARHT-CBQOVEMMSA-N 427.549 0.373 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1 1818302804 APQABFLVWYNKMH-NEPJUHHUSA-N 425.474 0.845 30 20 ICED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819479180 DRXNFENQILVTNW-FXDLTUPKSA-N 444.492 0.765 30 20 ICED O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)N1 1830467094 SHILYOFORXLTSI-XMSQKQJNSA-N 445.903 0.427 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1830708178 ZFVMSJITAIUDLP-WYADAEROSA-N 436.505 0.070 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 1831397820 XKBUFAOIHRUROV-SBUREZEXSA-N 446.500 0.812 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1 1831738159 GQLNSKSELLAGQP-JOCHJYFZSA-N 437.456 0.632 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832812922 IVROZWRNDNQMRP-MXAGAPAXSA-N 449.508 0.328 30 20 ICED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1833131461 GWJAUUJXKHWVJP-XTVKVDEJSA-N 443.548 0.861 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn1 1833429807 JHRNSWNDCQHFGY-PXNSSMCTSA-N 438.550 0.900 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1833477432 JMWFJTRYMJBNNA-PMACEKPBSA-N 449.640 0.785 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833895868 KPZHPDWCHUDCEY-OAQYLSRUSA-N 436.509 0.793 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354857 HDCMQLLIJPMLLU-NZQKXSOJSA-N 426.517 0.803 30 20 ICED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835689845 JNIMNYZGOGKRAG-OPAMFIHVSA-N 438.488 0.852 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835755910 UQOPJDTXFMBCMZ-IBGZPJMESA-N 436.509 0.357 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1836862774 XXZOTXNJGGMCBW-AOMKIAJQSA-N 438.521 0.639 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837333123 SEGIKVSMLIHMCS-KDOFPFPSSA-N 428.580 0.726 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837397144 RLTIKHAZLZTDJK-VGOFRKELSA-N 443.504 0.372 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441104 RRTCHUSTDRWOEB-ADILIXOZSA-N 446.552 0.447 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443488 CGOAFURNXTUVDS-PYEQPNSUSA-N 436.553 0.488 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cn1 1837524337 FZJJVPGNMASGNP-CHKZVEJASA-N 435.481 0.019 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837965804 ILCOGFJABCUNDG-OAQYLSRUSA-N 434.493 0.124 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)CCO2 1838692360 NZIDPCCBLRFJBN-QFIPXVFZSA-N 438.440 0.235 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049149 AJSDSXPBTZJYTK-HTAPYJJXSA-N 427.505 0.940 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)c1 1839419998 HNLDZSPMDBQDBF-LJQANCHMSA-N 431.449 0.933 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722024 TTXIGAGNNSSFRV-QFIPXVFZSA-N 439.472 0.603 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839857493 VSLPBTDQNWXNIK-QFIPXVFZSA-N 428.489 0.083 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1)C(F)(F)F 1839893243 SGRNOYHXOVHDRL-CXAGYDPISA-N 431.415 0.489 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(C#N)c1 1840162852 JOTKXJPYQXLHGP-VFNWGFHPSA-N 433.530 0.884 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c(C#N)c1 1840537689 JUMILTHYFDKIBO-FDDCHVKYSA-N 443.500 0.602 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840818192 PRRHKBFUFALOAR-QFIPXVFZSA-N 435.521 0.725 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840819176 UNGAHCBXJRJDNB-QFIPXVFZSA-N 437.456 0.497 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840883520 VMXOEFBGMUKZSX-QYWGDWMGSA-N 436.509 0.660 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841300848 ZJULNYQMPBGTGD-OAHLLOKOSA-N 439.509 0.585 30 20 ICED Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n1C 426269512 UIOGBUXLFDQLNT-UHFFFAOYSA-N 429.502 0.782 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nn1CCC#N 442437738 LHGDOWINPJCKJF-INIZCTEOSA-N 436.451 1.573 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 460598610 NBHRFADKNVSCKG-GOSISDBHSA-N 443.467 1.303 30 20 ICED C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 464603245 UTJHOPWXHIPNHJ-HOTGVXAUSA-N 429.477 0.927 30 20 ICED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465119050 GXPNLOPJFGFDCY-HNNXBMFYSA-N 444.517 0.624 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1 467548675 PSEVTULBRCINIY-CQSZACIVSA-N 441.509 0.513 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 479927048 QRTULCLHUOABOH-LLVKDONJSA-N 438.487 0.520 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1C 484561296 AYXUVMPPNPOSEZ-UHFFFAOYSA-N 434.453 0.211 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cccc(C#N)c1 488111226 NHEHRTSJURHVNA-SFHVURJKSA-N 435.527 0.956 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 505656171 DFVDPWQRMCENIA-UHFFFAOYSA-N 426.546 0.000 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 508770533 UZPXNBOUDIHGGM-QGZVFWFLSA-N 440.456 0.770 30 20 ICED CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 515922793 IUNIPWRZMACZEW-UHFFFAOYSA-N 445.566 0.895 30 20 ICED CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 521102587 AETUFPTVMJSAEO-HXUWFJFHSA-N 441.532 0.345 30 20 ICED CCOCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2ccnn2C)c1=O 522277855 AJULKDJENXGATR-UHFFFAOYSA-N 441.488 0.961 30 20 ICED C=C(C)CN1CCC(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 522799727 KAWPMQCGSMURLR-UHFFFAOYSA-N 429.587 0.368 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccs1 524336245 KGWJGSCUMGTCHA-UHFFFAOYSA-N 425.539 0.753 30 20 ICED CCN1CCC(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 530905457 PIDIEWOXWOPEPA-UHFFFAOYSA-N 433.578 0.807 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3ccccn3)n2)CC1 534979486 FQHPBDBGXFNKSW-UHFFFAOYSA-N 437.485 0.745 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)c1C 535607503 UIMDMDVSBCGWHG-UHFFFAOYSA-N 444.517 0.793 30 20 ICED Cn1nc2c(c1NC(=O)C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCC2 535651687 RXHQPIDJHCXANB-UHFFFAOYSA-N 442.501 0.252 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 546903015 WMNCFJBRMORDHJ-UHFFFAOYSA-N 448.483 0.713 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 552899894 PSVXXXCFPUPSBG-MRXNPFEDSA-N 444.459 0.811 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 556856582 VXJKOKOWAQQEIQ-UHFFFAOYSA-N 449.577 0.628 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 557053950 QNKIKWDVXNOMEW-UHFFFAOYSA-N 448.527 0.750 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 559342167 XHSSEVIELYETQI-UHFFFAOYSA-N 426.477 0.582 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 567306019 IENGTIKBKXBBDD-GFCCVEGCSA-N 431.496 0.406 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 580478692 SMHFHHXIGGGKOI-QGZVFWFLSA-N 447.967 0.871 30 20 ICED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 588036855 PTBIQDCXUMYGFS-INIZCTEOSA-N 438.488 0.377 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 588083658 FPYHZBLAUVGVEG-ZDUSSCGKSA-N 431.447 0.928 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1 589488226 ISGMFIAVNLVBPU-UHFFFAOYSA-N 448.526 0.693 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2OC)c1=O 603794256 BTQCFJBKJGQGHJ-UHFFFAOYSA-N 440.569 0.996 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1C 604561022 GOCHPAGAPOIKOO-UHFFFAOYSA-N 447.521 0.483 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)CC1 609202104 NDQQEUGVYCENIV-UHFFFAOYSA-N 430.534 0.415 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 609806332 IJXDPJHHFIPEBR-UHFFFAOYSA-N 430.486 0.529 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609955270 QOQWHWDBPAFUJN-HIFRSBDPSA-N 431.518 0.730 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610012036 XKKIFUSPQBXSQJ-UHFFFAOYSA-N 435.488 0.263 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615633163 MCTYDPSVIJJASW-GOSISDBHSA-N 440.453 0.119 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)cc1 675009460 OSDDWUNWYJLWTC-UHFFFAOYSA-N 439.534 0.822 30 20 ICED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 727011825 CPGWTCGUZNDSAD-OAHLLOKOSA-N 438.440 0.797 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 728531156 ACGAPXUASHVSTG-QGZVFWFLSA-N 447.333 0.696 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 733889456 RXZFQJCDRSIAOR-QURGRASLSA-N 443.479 0.897 30 20 ICED COC(=O)c1cc2cc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2o1 737305691 IOYDZDBAHVTULX-MSUUIHNZSA-N 426.385 0.801 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(NC(=O)OCCOC)c2)CC1 747993394 JSMHEQFCHRFEOQ-UHFFFAOYSA-N 430.461 0.808 30 20 ICED Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755546774 NCTAZLDOVSXQJJ-XJKSGUPXSA-N 440.464 0.785 30 20 ICED CS(=O)(=O)[C@H]1CSCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 756948909 UAKPFOBTQFSIJX-HNNXBMFYSA-N 431.561 0.451 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758050160 DCNKCOYROWKMOQ-UHFFFAOYSA-N 429.505 0.854 30 20 ICED CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(S(C)(=O)=O)CC1 758753108 OKCANXOSVZXQKR-HIFRSBDPSA-N 429.543 0.811 30 20 ICED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 759505412 TUDNVWFLRUCGTI-INIZCTEOSA-N 439.476 0.384 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770013842 RFLFVBNWABPFOS-QGZVFWFLSA-N 431.873 0.963 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 781050589 XVDBQKIWUZDYBE-WMZOPIPTSA-N 425.470 0.900 30 20 ICED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)cc2O)c(=O)n(C)c1=O 783856756 JPCBRLHPMDKGLT-UHFFFAOYSA-N 444.469 0.681 30 20 ICED CCN1CCN(C(=O)[C@H](C)OC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 783903698 SLHGEHGCUMNIBP-GJZGRUSLSA-N 436.534 0.600 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c1 785290894 OECGCZOBQLJNOS-ZOAKPAGHSA-N 449.533 0.565 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]1 786071310 QMTIDPOJVPGLJU-UHFFFAOYSA-N 427.442 0.448 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O 794628395 KRURLZTVMPRPAU-UHFFFAOYSA-N 436.559 0.196 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)nc1 794733922 HNYULQGQFYHPDV-HUUCEWRRSA-N 431.474 0.098 30 20 ICED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 804095533 IDZGYYNGXVHJOI-QZTJIDSGSA-N 432.908 0.402 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 809308091 GCLIHKQKYKYSDF-QZTJIDSGSA-N 437.493 0.346 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3cnccc3C#N)CC2)C(=O)C1 814146370 XTLKJBUDYGECDQ-UHFFFAOYSA-N 428.493 0.681 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)ccc1F 914470892 UOCGMVHWNUYTNZ-HNNXBMFYSA-N 440.541 0.963 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 916675912 HPSSCVLVGMWOGT-MRXNPFEDSA-N 427.548 0.532 30 20 ICED CS(=O)(=O)Nc1nnc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 918136515 VYEGZZTXSFEOTQ-UHFFFAOYSA-N 444.520 0.367 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1294881637 RGTTUHCBMRAAPD-SFHVURJKSA-N 425.493 0.684 30 20 ICED CC(C)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1318049833 UEYQQXUZXMPMRL-FCEWJHQRSA-N 447.513 0.782 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2F)N(CC2CN(S(C)(=O)=O)C2)C1=O 1343033346 XLMCIGYRIREECF-ZDUSSCGKSA-N 446.501 0.924 30 20 ICED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503300395 RSWBLFLDEBVYIO-ZYSBOAIWSA-N 442.549 0.591 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1547781525 PPTXFVBZGOPXPV-KRWDZBQOSA-N 441.521 0.626 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(=O)nc1O 1628329324 MZQKNZOKMPDCCG-QGZVFWFLSA-N 430.440 0.332 30 20 ICED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1692619765 OHFXFTGBXMBEEG-MRXNPFEDSA-N 426.543 0.776 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)C1 1698484319 PTTHCIIGHYCXCF-HNAYVOBHSA-N 440.545 0.469 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1760667292 VKJMTTUEVKBMKY-SFHVURJKSA-N 446.533 0.593 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(n2)NC(=O)CC3)C1 1777820313 GXKXYHYZVXSZGE-OPAMFIHVSA-N 440.456 0.182 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)cc1C#N 1778004342 ZDMXVYOSOFDRCN-JXHRLWIKSA-N 443.548 0.759 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465493 CZUKNJWKSMQVDT-HSZRJFAPSA-N 437.500 0.871 30 20 ICED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1 1779021439 GZDJKCOSEAWBDV-YQNSVDCASA-N 427.505 0.701 30 20 ICED CCOc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1780426319 CDZQRRINRPVTKC-OAQYLSRUSA-N 430.509 0.601 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c(C#N)c1 1781174991 VYKWVEJNIKEGLY-QHCPKHFHSA-N 436.468 0.886 30 20 ICED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400400 QAJZPLPKTCSTJA-NQIIRXRSSA-N 443.541 0.687 30 20 ICED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(C(=O)O)ncn2)C3)CCC1 1783123773 FQKZTHJLDIKWNL-IIBYNOLFSA-N 427.461 0.996 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2)C(F)(F)F 1783206470 MFZBENQRMNXNCY-SFHVURJKSA-N 430.471 0.715 30 20 ICED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)(C1)C2 1783564730 FDOBZGKEQGXEHC-LZBANZJXSA-N 447.488 0.352 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783907555 ZJZVHHUULLNVHD-OAQYLSRUSA-N 433.530 0.873 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1)C(=O)O 1783912541 YSXYBMWKTIFDOO-MUGJNUQGSA-N 442.516 0.533 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)ccc1F 1784392287 MHEZCSVDCBJPHY-HXUWFJFHSA-N 444.492 0.980 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784598401 VTPUAVPTTHADGZ-LDFDMIBHSA-N 433.530 0.978 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)C(=O)c1ccco1 1785139477 RFEQCCFCYPBTLJ-HMOIVQTESA-N 433.461 0.971 30 20 ICED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccccc4C(=O)OCCO)CCO3)C2)CCC1 1785367041 UVGDYGNNEMTMAV-HSZRJFAPSA-N 441.484 0.973 30 20 ICED 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)C1 1788183865 BOOMDIJQDVSEMR-QAETUUGQSA-N 449.504 0.311 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)[C@H]2C1 1788507390 VHXXLYJWPOBYLZ-FPHNRVOHSA-N 430.549 0.165 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21)N1CCN(C)CC1 1789797223 DMPNEFAKRHNERG-MQGJPIDWSA-N 439.560 0.787 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)c1 1790271829 LWHBSGCPPWCHIX-SZMVWBNQSA-N 442.472 0.003 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790749097 HCPWVARKDBWHJB-CADBVGFASA-N 431.514 0.729 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792633451 RRNDSVIQQSHBLL-SCAQPMJSSA-N 438.525 0.667 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(Cl)c1 1794412903 AZGUXLMCQZZLGN-XOIINTDNSA-N 435.912 0.926 30 20 ICED NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccccc1 1795672516 CRVXYBMHALMHOU-ODMJUCRQSA-N 427.549 0.790 30 20 ICED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796588096 LAZOEUYVXTVMHU-CGUQRFMESA-N 449.508 0.262 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1797919950 WQLDGQKHGMBHQP-ALXJQNPVSA-N 432.521 0.839 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1799306090 IRHOOFRGEAOKPV-CCWDJLKJSA-N 430.505 0.621 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1799392776 LNKIRLJDBJSFFG-ZTENYAIWSA-N 442.476 0.094 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)c1 1799744995 MGXQKGBOIALLAB-ZSBFGKGUSA-N 437.431 0.708 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)Nc1ccc(Br)cn1)C2 1800450891 IZDHDGDQEGGMKR-DBWKPXFBSA-N 449.305 0.786 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C(F)(F)F 1800551093 LJDBZAUVFUZGSU-LXTVHRRPSA-N 436.383 0.189 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1801166757 JTVSYHUJLBBFEW-XEMDLRDOSA-N 444.557 0.675 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1 1812877675 NYPQJAKKAFFJEF-VGOFRKELSA-N 432.440 0.461 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1814063631 LTKCRLKOMNRSBP-VGOFRKELSA-N 446.467 0.914 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814326089 KTANHWZOIORZIR-NSHDSACASA-N 429.520 0.609 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200889 PJXDIRFABNZHSB-WFASDCNBSA-N 439.432 0.098 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](COC)NC(C)=O)CC1 1823748693 YMPSQROYLQBQKQ-NNKPGIQBSA-N 448.564 0.616 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060739 RKLVEIQTDNUKGE-OAIBDCNXSA-N 444.488 0.763 30 20 ICED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830867559 QPXLDTGQUAFKKE-FZUCFXCGSA-N 436.530 0.960 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831201449 MCRNFKRBCAHENP-HSZRJFAPSA-N 442.516 0.935 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1831407392 XNZLBHVNCGGIJC-IFMALSPDSA-N 432.521 0.521 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)[nH]1 1831853173 CEGKCAGXRXICQM-QFIPXVFZSA-N 430.505 0.487 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1832456621 UQTYTSLCGLJFJQ-JXFKEZNVSA-N 435.550 0.653 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nsnc3NC)CC2)CC1 1833070308 UDXLVWTZPSIKGW-AWEZNQCLSA-N 434.566 0.803 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)s1)CCO2 1833414205 KKBPNUOYLXEGEL-RMUOZIPVSA-N 449.529 0.685 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1833473434 KTANWMHBXQDOQM-INIZCTEOSA-N 443.548 0.957 30 20 ICED Cc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834265767 UTDRXXRHFBZCDF-HXUWFJFHSA-N 435.550 0.803 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5c(c4)CCO5)C3)C2)CC1 1835346937 ZXCCIQKIKLTULK-QHCPKHFHSA-N 425.485 0.924 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835354553 NRZXGOQSPHBOFL-KRWDZBQOSA-N 427.383 0.869 30 20 ICED Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c2cccnc21 1835639047 DJRKDSUWRGMVHU-UHFFFAOYSA-N 437.500 0.847 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835760791 BTKSCUVYZVWQCR-GHTZIAJQSA-N 442.626 0.163 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4sc5nccnc5c4N)CCO3)C2)CC1 1835878498 WMWMXOAQSPOTTM-HXUWFJFHSA-N 442.501 0.647 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cn5ccsc5n4)CCO3)C2)c1 1837049088 ORMFAECUWRCKNG-FQEVSTJZSA-N 440.485 0.979 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837140355 UINQDKUJCDJWNV-YUNKPMOVSA-N 433.486 0.210 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C(F)(F)F 1837385969 XRVWFFPYOIWWGL-SUMWQHHRSA-N 436.431 0.269 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1837403299 QUGNZDXHSJYQIR-NPPFBWRTSA-N 434.537 0.549 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n(C)n1 1837488965 WFNCHBBDRXZNSM-QHCPKHFHSA-N 444.532 0.497 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837532706 FHGVSINWKGAYRY-RRPYSREYSA-N 437.493 0.666 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533234 LUKOCLSMSBJTMF-DLEUSVHOSA-N 447.492 0.408 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)N1CSCSC1 1837570163 GCYLYCKWNMRIAR-CRAIPNDOSA-N 428.580 0.790 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478524 NLKSWYXLEWWHLL-BTYIYWSLSA-N 448.476 0.681 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1839174953 GHEHUKPIWQOIPK-OAQYLSRUSA-N 435.452 0.800 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371685 KJYQHUIVBBNCRO-QKKBWIMNSA-N 436.461 0.465 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839487671 DUDPVYLJVPDXFA-HTAPYJJXSA-N 440.504 0.503 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840159038 VRVOTTLWYBALTN-YWZLYKJASA-N 431.518 0.656 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285760 ZMNVNUMHBNZUAE-SFHVURJKSA-N 434.867 0.973 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840906582 GCJDJFHMRVTJHU-IERDGZPVSA-N 434.493 0.273 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1847261328 ABBAAISLDOBWLJ-CVESUPBQSA-N 434.496 0.957 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 9083001 FJEGEOPGHHEBHS-FZKQIMNGSA-N 449.485 0.423 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 409524739 ZVVSMXIOHVNHMV-AWEZNQCLSA-N 444.535 0.100 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 446529927 KRUBRANUTOPSKU-MSOLQXFVSA-N 449.529 0.736 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cn1 461749982 YXVGCGQVRKGUBU-UHFFFAOYSA-N 427.446 0.740 30 20 ICED Cc1cc(NC(=O)CN2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)no1 462100726 IOIPEHTWJBPSQM-UHFFFAOYSA-N 435.448 1.224 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 465233323 KENJNRKSDDHNKE-OAHLLOKOSA-N 439.480 0.146 30 20 ICED CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc21 465422770 OWLQVIFEXLSMLB-CQSZACIVSA-N 433.472 0.933 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 477087155 NBVCDFCUADXABJ-UHFFFAOYSA-N 438.510 0.645 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)n1 479395890 VCWXVBUPXNJDDQ-UHFFFAOYSA-N 441.557 0.608 30 20 ICED CC(C)[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 490802205 JYEIRZUVTTUAFW-GOSISDBHSA-N 425.493 0.610 30 20 ICED Cn1c(=O)ccn(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1=O 502636079 GIMDHSUEZHGARS-INIZCTEOSA-N 446.305 0.719 30 20 ICED C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)NC(=O)NC1=O 503106838 CLCCAMKRRNGXDH-GSHUGGBRSA-N 438.488 0.821 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 505735261 BQIZWMVOALNQLE-VQIMIIECSA-N 438.488 0.753 30 20 ICED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cc2)CC1 506562301 BTLRKOYKFZRWMU-UHFFFAOYSA-N 437.497 0.415 30 20 ICED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C[C@@]12C(=O)Nc1ccccc12 514020853 SPBOSOBPRYSPPH-FOIQADDNSA-N 431.518 0.761 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c1 515733271 CMNKRYKXXUZQKB-INIZCTEOSA-N 430.548 0.817 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccc(C)o3)c2=O)cn1 522390082 YEWKKIGKZFXPQT-UHFFFAOYSA-N 441.513 0.673 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 530317913 MJQNMOXBJCUGAA-GFCCVEGCSA-N 433.436 0.172 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CC1 549550639 LFAZJUGXBMPOMC-UHFFFAOYSA-N 429.546 0.897 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)n1 551662285 MLFFFSNQBMPCBL-CQSZACIVSA-N 445.277 1.568 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1=O 552633335 VEXBSIKYVAUYCO-OALUTQOASA-N 432.496 0.561 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 588762389 TWBJPQHFISTLNA-UHFFFAOYSA-N 426.498 0.849 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604208564 SNKHOTJCYYGKKI-UHFFFAOYSA-N 436.472 0.964 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 608911341 BMGBOUBQFVFSDJ-UHFFFAOYSA-N 449.330 0.185 30 20 ICED CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 608911360 BJPLJOGAHCKHGO-UHFFFAOYSA-N 438.509 0.731 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609220058 AQPNOXMLOQFEHH-UHFFFAOYSA-N 445.516 0.756 30 20 ICED CCc1nc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)no1 609488403 GUQOAPNCOZBATB-UHFFFAOYSA-N 432.506 0.782 30 20 ICED CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 611003676 NNKMDIVOYVNUMM-HOTGVXAUSA-N 449.577 0.980 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1=O 684988497 XXVXNYQCIADXIH-WBAXXEDZSA-N 437.518 0.064 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1=O 726043600 ORTXURPDZHKPFZ-UHFFFAOYSA-N 439.428 0.948 30 20 ICED O=C(Cn1cnc2ccc(Br)cc2c1=O)NCCN/C(O)=C1/N=CC=CC1=O 732157147 WYULLPJVYXOFDP-MSUUIHNZSA-N 446.261 0.802 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)Cc2ccccc2)CC1 732761262 ANBOYHCARPRUPC-IBGZPJMESA-N 430.574 0.361 30 20 ICED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 732910568 QVVMCUXSVRJJTI-AWEZNQCLSA-N 427.429 0.441 30 20 ICED COC(=O)CCc1nc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 745497462 UPFLTRZTYCERHW-LLVKDONJSA-N 436.446 0.736 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1OC 746560839 DNCOPGHRYKCCBD-UHFFFAOYSA-N 447.469 0.713 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 753752562 LDGAZSGOIMARDU-JSGCOSHPSA-N 442.567 0.252 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 754928809 MXXPCUFZWCKNAB-UHFFFAOYSA-N 448.480 0.226 30 20 ICED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1=NS(=O)(=O)c2ccccc21 757591492 UHHGYSBSGWOZPR-HIFRSBDPSA-N 447.517 0.943 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCc3ccccc3)c2=O)c1 763437100 QWIVIZLFIRYGLM-UHFFFAOYSA-N 448.548 0.853 30 20 ICED N#C[C@H](C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 766873373 KMGMQMIOMUJJJI-OAHLLOKOSA-N 434.470 0.777 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cncnc2N)cc1 774446275 IBWDLRPMMYRUKG-BUVRLJJBSA-N 431.478 0.127 30 20 ICED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 779370445 PSNQAIGRVZMBEQ-JOCHJYFZSA-N 442.541 0.821 30 20 ICED N#Cc1ccc([C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C(N)=O)cc1 782339724 GDGCYPIETSWPTG-BPQIPLTHSA-N 447.444 0.591 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 783347294 IMORQHSQWFALHP-UHFFFAOYSA-N 442.295 0.685 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783956067 BTLJTKKHXTVKQW-UHFFFAOYSA-N 438.874 0.543 30 20 ICED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1Cc1ccc(F)cc1F 791804708 UCDYBSHAICENPA-AWEZNQCLSA-N 437.428 0.493 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC(=O)N1C 800657157 UCKIAEPGKXLESS-JPDJOPTESA-N 435.506 0.127 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCS(=O)(=O)N(C)C)c1 810164130 AGMJICSXVFIOKN-CYVLTUHYSA-N 431.540 0.512 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 825467633 BSOLBSZVQVSPEC-AWEZNQCLSA-N 425.463 0.313 30 20 ICED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(C)c(=O)n(C)c3=O)nc2)C1 839397705 CXJQANZKRXRUBQ-OKILXGFUSA-N 434.522 0.592 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)CC2)o1 914684671 ODOCWRGBMBCSSL-UHFFFAOYSA-N 447.473 0.732 30 20 ICED Cc1cccc(OCCNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 917229281 JZKVAIZBXZFFLM-UHFFFAOYSA-N 431.470 0.883 30 20 ICED N#Cc1cccnc1NCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 918575146 DODPNQWKLKMOEO-UHFFFAOYSA-N 435.531 0.806 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(O)cc1 1288861974 GKDYZFDGKSULLS-WMLDXEAASA-N 445.549 0.819 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1314144283 ZTFLFVUMDNEFLN-DNVCBOLYSA-N 441.554 0.872 30 20 ICED COCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518957909 WKMUGYHFDMWXDZ-DYESRHJHSA-N 431.541 0.478 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1521115113 QGOWENMVJLWOEI-JKSUJKDBSA-N 441.579 0.887 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1543311341 QUSISGCEGXLCNS-QGZVFWFLSA-N 430.538 0.461 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1619909803 KZGBXLVIZKBGHY-UHFFFAOYSA-N 431.541 0.745 30 20 ICED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1639585967 WNVYROMIPWWHCW-HZPDHXFCSA-N 438.506 0.587 30 20 ICED CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)ccc1C 1652134423 RJZQNEZRKQQZHH-UHFFFAOYSA-N 447.517 0.705 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1696490919 RJCVFAKBEMEACO-CABCVRRESA-N 446.599 0.448 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CCO1 1698493750 XHQNRDUVJXJSMN-GOSISDBHSA-N 437.504 0.488 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1724012511 XWYMTSZMHIHTRM-VQTJNVASSA-N 430.534 0.944 30 20 ICED CCN1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1767144919 JIUREQVTDFHLBJ-ZWKOTPCHSA-N 425.541 0.737 30 20 ICED CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1768015055 QZXWIJSOWKZCGN-GDBMZVCRSA-N 434.522 0.959 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1778998829 IOEDTXNPNHREHQ-NRFANRHFSA-N 448.596 0.419 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180798 QLDRUUIZOYGBMR-RRMPHLOHSA-N 425.493 0.942 30 20 ICED CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)OC(C)(C)C 1781363591 ZHDJVUWOJJRHHZ-BTYIYWSLSA-N 437.493 0.598 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966492 GJFHUQNOYQYSHQ-HXUWFJFHSA-N 433.509 0.625 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cc5cnccn5)CCO4)C3)c2c1 1782193615 AOXKPUFVGXETMD-QFIPXVFZSA-N 431.456 0.911 30 20 ICED COc1cccc2c1C[C@H](C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CC2 1782993944 OVNKLUSNLCRWHA-UZUQRXQVSA-N 426.469 0.718 30 20 ICED CSCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783977345 RNDTUDQOWAMRCJ-LAUBAEHRSA-N 433.530 0.881 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)c1ccc(O)cc1 1784019170 BIWDGMJNHIGOHQ-WZONZLPQSA-N 427.501 0.985 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1784612299 WSKZUZSZSMSILZ-LYBQEQRRSA-N 432.477 0.567 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(O)n[nH]5)[C@H]4C3)c2c1 1786940927 LPIFWWLCEXIOAE-JDFRZJQESA-N 435.444 0.770 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)n4)[C@H]3C2)cc1 1787437067 RQXYNNPLPZEGAJ-BQFCYCMXSA-N 437.456 0.595 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1788652614 JLMVFGQKHOKNDW-AKDGEAGXSA-N 436.509 0.021 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)C[C@@H]21 1790794767 MEHZGCSZOZKWQU-DKIMLUQUSA-N 445.520 0.458 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CNC(=O)OC(C)(C)C 1792989647 BVFTWISYABFLCU-HSFUPAIVSA-N 437.537 0.775 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793358097 PUDKCISCSOKONL-JCQHHRMRSA-N 431.489 0.633 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793660643 CVZYFXVKWKTFHQ-FRQROOTJSA-N 433.534 0.822 30 20 ICED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818651 XKKXHEWKMJBPHA-PDZBNPCASA-N 432.477 0.326 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798355410 YJBJECXYISBADD-XGUBFFRZSA-N 433.465 0.189 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1800993994 AKXDEKGTUBFXMT-ZMMAXQRCSA-N 437.537 0.655 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1801050821 ILYNPSMUGAPWJQ-OIMFZILRSA-N 449.548 0.914 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1801994377 KZPYVMFXUUKZDU-CCWDJLKJSA-N 442.501 0.437 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2ccnn2)[C@@H]1c1cccnc1 1802489764 LWWAUNYDSPBWFW-XKIGQQANSA-N 437.504 0.799 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1804177483 ZHMNTDWXEYCUKX-RXVVDRJESA-N 436.578 0.293 30 20 ICED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810287522 ADLPQROWYQFGCK-FSJIFWRBSA-N 430.509 0.915 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1810326336 BMXABIONTSJBDT-ICSRJNTNSA-N 426.517 0.874 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1814984407 UAJRCTSDYSLSFS-ZDUSSCGKSA-N 443.533 0.594 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819394730 XQUSXHFYDRBUOX-JLKSIBDYSA-N 449.512 0.938 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)NC(=O)OCC)sc2C1 1819468323 RHACNOSFUMSPRZ-RIEGTJTDSA-N 440.522 0.693 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)nc3sccn23)n[nH]1 1820079227 BLERDRYKBFCKPW-GFCCVEGCSA-N 440.441 0.873 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821468638 FAPRZZCOQQRXQL-REZJBDOASA-N 446.489 0.981 30 20 ICED CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)CC1 1821604750 XXFYBVSEBXZPLO-AWEZNQCLSA-N 427.534 0.816 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 1824495463 WJFPKYSJSPDOGG-NVXWUHKLSA-N 427.505 0.847 30 20 ICED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2)C(F)(F)F 1825260845 GTXUTPGRNLTCRB-QMMMGPOBSA-N 431.396 0.725 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829617868 IOXQYFKXGDDYNG-VGSWGCGISA-N 445.472 0.632 30 20 ICED C[C@@H](Sc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831159340 IHMZQSIZBRECMY-IIBYNOLFSA-N 432.498 0.712 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 1831397819 XKBUFAOIHRUROV-HXOBKFHXSA-N 446.500 0.812 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831453634 AQHFUMXUDKRWAL-XMSQKQJNSA-N 448.541 0.175 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN(CCO)CCO)CC2)c1 1831488293 QIBNJNFADFRVLW-HXUWFJFHSA-N 431.537 0.406 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1832446806 GXOIVXKTDUTQJB-CVEARBPZSA-N 426.457 0.675 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832679831 JNXLUGSOQJDTGF-DYESRHJHSA-N 434.493 0.718 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)cc1 1832934255 ZWILAWNRBBYUHL-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833557341 MAQKQZHHEXVZOF-LJQANCHMSA-N 441.868 0.907 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833705011 WBVOOMOMQIYRGJ-UHFFFAOYSA-N 437.566 0.029 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n[nH]1 1833821842 QQRIEKWISJUUTI-HSZRJFAPSA-N 436.468 0.734 30 20 ICED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)n1 1834244626 DRMHTZPNEKRNCY-KTBYTZPXSA-N 444.513 0.991 30 20 ICED COc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)ccc1[N+](=O)[O-] 1834765717 JWWHLNPKYZBSCX-HXUWFJFHSA-N 432.433 0.516 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835125514 MUJWWPKEOWXIBO-WAYWQWQTSA-N 447.580 0.189 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)n1 1835344813 WYVKGRKLSLLDBT-QFIPXVFZSA-N 443.504 0.047 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN2CCCC2=O)CCO3)cc1 1835407038 HXGGTWCIDQLVOL-HSZRJFAPSA-N 440.500 0.180 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835450900 ABPXMVQHIFKFDY-QGZVFWFLSA-N 436.553 0.991 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc3c1CCCC3)CCO2 1836901112 AGRSKNBHMIITMD-NRFANRHFSA-N 432.498 0.785 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1)C(F)(F)F 1837118091 UAHDNZBAVCVRDG-AWEZNQCLSA-N 446.426 0.702 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)C 1837222886 RTWHHMIILOJMBH-KCTLCGQASA-N 449.504 0.743 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440990 KSAMVGGNVIZWTJ-IGPUNGKJSA-N 447.536 0.762 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837559732 DDEWNEZTLIJTES-IQTGRTGDSA-N 427.461 0.188 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)c1 1838732646 XWPMNXCZYHWBEK-JOCHJYFZSA-N 449.471 0.401 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838887795 WCMZUKLGNYPGNN-OPAMFIHVSA-N 432.473 0.509 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839875921 ZWWWHMYORMLIFM-SBUREZEXSA-N 442.516 0.472 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840039636 BCSCPQZBNVKSFR-JOCHJYFZSA-N 425.441 0.035 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccc4)on3)C2)C1 1840040541 QCPGKUCUKPXEPK-JOCHJYFZSA-N 439.424 0.500 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840158747 QBYXLXZWKDXCRV-MEDUHNTESA-N 436.456 0.827 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840817910 ALYNBLOTOZZYKR-NFBKMPQASA-N 445.516 0.800 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840929050 YSXDJFOEOFAMFI-AUSIDOKSSA-N 437.581 0.748 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCS(C)(=O)=O)C1 1846702291 VFVTUPKZDMQSPX-OAHLLOKOSA-N 441.550 0.541 30 20 ICED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3n(n2)CCNC3=O)c1 1847470351 SYSLEPHGFCNNLK-OALUTQOASA-N 432.484 0.946 30 20 ICED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)cc(C(F)(F)F)c1 1848071322 WXXGDKMMMCZXBY-GJZGRUSLSA-N 449.389 0.944 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 17358466 DYQVEEJEJZHUMF-UHFFFAOYSA-N 441.513 0.302 30 20 ICED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 25031535 SGJXBMPYPMPMJD-OAHLLOKOSA-N 441.444 0.913 30 20 ICED COCCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(C#N)cc1 63753424 CYLPDMHEFJRVEC-HXUWFJFHSA-N 434.562 0.338 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)CC1 426160452 JMXYHZLMYSQOOS-UHFFFAOYSA-N 425.511 0.518 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 441159853 VLYJZJNKHKZOAA-MJGOQNOKSA-N 438.532 1.447 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 441938623 ULALAUKIYURUTM-CYBMUJFWSA-N 444.538 0.145 30 20 ICED Cc1cc(=NC(=O)CN2CCN(C(=O)N=c3[nH]n(-c4ccc(C#N)cn4)cc3C)CC2)[nH]o1 462100507 HGIRAJUUDVMGPW-UHFFFAOYSA-N 449.475 0.376 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)CC2)c1C#N 472194425 JEUTZIBCGFDIGX-UHFFFAOYSA-N 441.510 0.654 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 476171237 XDXHQOLRKLSBGF-HXUWFJFHSA-N 426.517 0.735 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480791439 YZUZYIBZHIZQHT-ZDUSSCGKSA-N 436.515 0.450 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(Br)s2)c(=O)n1C 480925445 GJWBVNUPQZYCQA-UHFFFAOYSA-N 442.360 0.845 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1 483687760 QZPOFVLMAGWYMB-UHFFFAOYSA-N 436.472 0.674 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2OC)C1 489209400 SVJVTWGNAFYKDO-MRXNPFEDSA-N 425.507 0.845 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1S(C)(=O)=O 498440083 DAXIKJNKBRQLIJ-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 501927095 RNYZFJVERWQOHN-OAHLLOKOSA-N 434.497 0.385 30 20 ICED CN(CCCNC(=O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)S(C)(=O)=O 502166214 KSVLALYACKGXLH-UHFFFAOYSA-N 435.550 0.606 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1 508343078 QPHIREQXNFDWHL-YQQQUEKLSA-N 441.532 0.741 30 20 ICED CC(C)[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)NS(=O)(=O)N(C)[C@H](C)CC#N 509237854 JFWMHVQNBHHEDA-PMPSAXMXSA-N 436.604 0.490 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 510296700 HCRKRYKFXMIPCS-UHFFFAOYSA-N 429.521 0.554 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 516375644 GVMCECGYOXIEFP-UHFFFAOYSA-N 430.530 0.425 30 20 ICED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 518510986 OACLLHRTIKDZRM-ROUUACIJSA-N 443.614 0.708 30 20 ICED Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546910926 NTCTVZYHYCFZEY-UHFFFAOYSA-N 434.435 1.269 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 551158955 ZDNCDSRVLGVMAJ-OAQYLSRUSA-N 448.527 0.792 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 553760823 LXNFSCSFZDUXSQ-ZIAGYGMSSA-N 428.536 0.107 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)CC2)c1C#N 556070121 IENPQYSFPXWGAD-IBGZPJMESA-N 441.511 0.807 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 559495941 QYRGDHRHSZKSBD-UHFFFAOYSA-N 436.432 0.309 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)n1 578501422 FUFWGXWNCQKFCG-CQSZACIVSA-N 432.506 1.147 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581509993 ALRZEDBUBAXILH-DLBZAZTESA-N 432.502 0.205 30 20 ICED Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 609413987 ZERCNYRMHUGESM-QGZVFWFLSA-N 434.518 0.650 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)COCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 609458577 RXYFXVWFHLBGQD-PMACEKPBSA-N 432.569 0.388 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 609496816 IMLJEIIUQCDCPI-UHFFFAOYSA-N 440.485 0.291 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 609686392 FWPJHPDCJKBRMS-GOSISDBHSA-N 430.528 0.935 30 20 ICED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 611015883 AXOURFBTXCIOCB-UHFFFAOYSA-N 440.469 0.433 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cn1 613102488 XHPDOYHVXLTFIO-OAHLLOKOSA-N 444.455 0.571 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3cccc(C)c3)CC2)C1=O 726038006 OOWXMNWYMZCZSR-UHFFFAOYSA-N 428.445 0.164 30 20 ICED CN(c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1)S(C)(=O)=O 732037754 CIMOIVMLOWWJHI-UHFFFAOYSA-N 436.515 0.437 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744726131 OZVWIZNMKPLCDK-QWHCGFSZSA-N 426.447 0.291 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 751033345 PKEGXZCYVBIFGC-UHFFFAOYSA-N 428.423 0.862 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)[C@H](C#N)C1 755537321 MQTBXBFABIXCRC-IUODEOHRSA-N 436.490 0.904 30 20 ICED COc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1C(N)=O 755538851 VHYUQRBQMITDJM-RISCZKNCSA-N 431.449 0.608 30 20 ICED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CCOC[C@@H]2C#N)c1 757383214 WNZCEASJTWTCRE-JTQLQIEISA-N 449.270 0.906 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnc(C3CC3)s2)c1=O 758061096 TUUCFQLQUFSHLQ-UHFFFAOYSA-N 442.566 0.923 30 20 ICED CCc1ncc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)s1 765144664 AYCJLOSURMKWEU-UHFFFAOYSA-N 445.526 0.231 30 20 ICED CNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 770460440 QAYKNHNYUZHKOG-UHFFFAOYSA-N 440.441 0.843 30 20 ICED CCOC(=O)CON=C(C(=O)N=c1cc[nH]cc1I)c1cc[nH]n1 772359848 WKQZLEIFQDYYEC-UHFFFAOYSA-N 443.201 0.754 30 20 ICED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783579649 UVGUSBGRTLKEBV-CVEARBPZSA-N 435.502 0.948 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787499506 FHXLSUWALFBLSV-UHFFFAOYSA-N 425.532 0.901 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787757209 CKIXDINSMDIYSY-SFHVURJKSA-N 431.456 0.270 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)CC1 799252931 HBYHOVCNBZOYDW-LJQANCHMSA-N 440.500 0.531 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C(C)C 799272392 FZPGHSHAXGRINB-INIZCTEOSA-N 437.518 0.819 30 20 ICED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)CC1 807391133 XXSJDPRIOUBQGD-INIZCTEOSA-N 431.497 0.499 30 20 ICED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 808169534 XAHYVCZAYLDZMC-XOBRGWDASA-N 429.481 0.470 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOC1(C#N)CCOCC1 809082546 GJLUEISHRXUUID-ZDUSSCGKSA-N 425.463 0.085 30 20 ICED COCC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810468889 XUQQTFRAUPGCKK-AKKXKAEUSA-N 440.522 0.606 30 20 ICED N#Cc1cccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)n1 811253587 HVGRBTBHOBLPAH-UHFFFAOYSA-N 444.469 0.447 30 20 ICED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)Nc1ncccc1O 816612692 VZMHYKFFDMUYOZ-OLZOCXBDSA-N 445.501 0.995 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)c1C#N 1251760206 XXXBDCAPNIDDDZ-UHFFFAOYSA-N 431.541 0.313 30 20 ICED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299801456 MIVVSMMHKSVDHI-KUHUBIRLSA-N 426.498 0.925 30 20 ICED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)[C@H]1CCS(=O)(=O)C1 1318721730 YOUJZWMSOXJVBH-ZDUSSCGKSA-N 443.478 0.998 30 20 ICED CC[C@@H](C)[C@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(=O)NCCN1CCOCC1 1356422780 DFGDHRKFXXZMJN-CJNGLKHVSA-N 435.550 0.974 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1515122733 PBKSGIYUXJMAGJ-UHFFFAOYSA-N 440.508 0.716 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1541112502 YJEVEFWLMGTGJX-CQSZACIVSA-N 432.510 0.987 30 20 ICED COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1555289360 KAQSBQPETYOYTA-HUUCEWRRSA-N 426.543 0.824 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1596249714 IIOXJRNBBLPHKW-UHFFFAOYSA-N 440.504 0.939 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1596288769 IQJORMXGRRNDGB-NRFANRHFSA-N 426.500 0.870 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1625972696 TZWWSLXZTMQNKD-DOMZBBRYSA-N 426.520 0.470 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1642565668 SIEKOVHRNSPSOF-HNNXBMFYSA-N 441.513 0.673 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1741679420 UDGUYZSIPPNQNZ-CYBMUJFWSA-N 437.302 0.804 30 20 ICED C[C@@H]1CCCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)C1 1743095738 NNPHXCSDXCYPRB-OAGGEKHMSA-N 425.559 0.349 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778018471 NBYIYCJPVXOKFS-QVKFZJNVSA-N 448.476 0.525 30 20 ICED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780172549 PMVBWGMVOTUDTE-OAQYLSRUSA-N 445.545 0.494 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCc3ccccc3O2)C1 1782154552 ZWWUQGPWXBNKOD-DNVFCKCGSA-N 426.469 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21 1783530043 BKURASZNWIQBLV-GRMGMVGISA-N 432.565 0.701 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)c1 1783917344 DFYWXNWKMHXWHP-ANULTFPQSA-N 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JAUAYKQTGPWALK-NRRYTISWSA-N 436.553 0.466 30 20 ICED CCOC(=O)N(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)Cc1ccco1 1840340460 LWGMFIOHTOJVBF-OAQYLSRUSA-N 448.476 0.608 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716650 PEMQCIFRIINPQR-KSFYIVLOSA-N 444.488 0.740 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccccc1=O 1840814668 VFJCCZQATBIILF-HTAPYJJXSA-N 428.489 0.560 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NCC=C)C1 1841056617 TYLPTNKUKCNWTL-MQNTZWLQSA-N 444.532 0.965 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)cc1C#N 1844298567 YFJQGXGGEHMHHY-NRFANRHFSA-N 442.516 0.813 30 20 ICED C#CCCCC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1846374596 AKYZGAKODMKZCS-JKSUJKDBSA-N 432.546 0.173 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846426072 WQNXZVLLMNQNAV-HOTGVXAUSA-N 432.521 0.633 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1nc(C)ccc1=O 1847262477 VGBYVDZGZCEBPD-LVKZSUFYSA-N 427.505 0.347 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213256 DJTDLUMZCZHSMB-STECZYCISA-N 430.505 0.768 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CCO1 409478737 SVHBOWQWZZIGBI-RISCZKNCSA-N 429.296 0.391 30 20 ICED CCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 409592207 BVIRKFZPXXUHPN-INIZCTEOSA-N 430.552 0.714 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 434576814 RYESVAIWUNBODP-UKRRQHHQSA-N 436.394 1.548 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 437998427 HGNXPSRQOWETPL-CZUORRHYSA-N 426.495 0.376 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 441943612 URVBGGBAMQWSCH-CQSZACIVSA-N 440.481 0.660 30 20 ICED CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 444523213 YYKVTXRNYYMFPA-CYBMUJFWSA-N 428.415 1.385 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N(C)CCc1ccccn1 481512258 RNUPHKBCHWIFFN-OAHLLOKOSA-N 429.502 0.437 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 484605929 VOZHZCYLTWGESQ-UHFFFAOYSA-N 432.521 0.959 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C2CCN(C)CC2)c1=O 489027090 RFPFXCXIANMZPJ-HNNXBMFYSA-N 441.557 0.502 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 489146547 DWFUJIPUMJODCT-KRWDZBQOSA-N 440.547 0.519 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N=c1ccn(-c2ncccc2C(F)(F)F)[nH]1 490266776 CNURWKVUDFRIDX-UHFFFAOYSA-N 447.381 0.572 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 500079751 ZWNUOYZNRZAGRD-HNNXBMFYSA-N 448.588 0.835 30 20 ICED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510172495 LCTUYDNTGMETMO-WMLDXEAASA-N 442.563 0.355 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)CC1 516828460 MQMYBRDPLYUADZ-UHFFFAOYSA-N 438.553 0.538 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 523254837 SVEGGOHIBMJMMR-UHFFFAOYSA-N 438.896 0.900 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)n(CCC#N)n1 526113019 WCPADIIDTSNSGN-UHFFFAOYSA-N 437.504 0.999 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 537046413 JOEVSJKXDKWCFF-VSKRKVRLSA-N 446.640 0.991 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 539357263 WGOKKICKVCOUSE-AWEZNQCLSA-N 448.553 0.695 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 545368801 ZCMGUQSYALDJOF-UHFFFAOYSA-N 427.482 0.862 30 20 ICED N#Cc1ncn(CCNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)n1 553474618 WEGODOYVLBMCOJ-INIZCTEOSA-N 427.465 0.323 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)O1 554846635 FHTVHNIDLOOAPT-PILAGYSTSA-N 431.493 0.687 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)nc1 565258768 MDEHZBWYHHOFPI-NRFANRHFSA-N 448.527 0.619 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)n2)c(Cl)c1 583055968 XYLPJDHIGIKKDC-AWEZNQCLSA-N 441.879 1.398 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 603794961 HFYBSNQSYXLMFW-UHFFFAOYSA-N 445.516 0.837 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 608911520 HRWKKPXXTCYRFQ-UHFFFAOYSA-N 436.440 0.026 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)C2=O)cc1 617091920 XQFMCNGVXMJYCB-OALUTQOASA-N 436.472 0.790 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1=O 623229692 MZHDKQMHJXSMOU-UHFFFAOYSA-N 444.879 0.609 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 730776283 YXICHPUAWLAFNP-GOSISDBHSA-N 425.489 0.094 30 20 ICED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 733162379 NRGZYPDLUUFLOM-UHFFFAOYSA-N 448.589 0.945 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 735480589 MXLYIMYTSANPKK-UHFFFAOYSA-N 426.498 0.659 30 20 ICED COc1ccc(CNC(=O)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 742586891 YCYQXKGIWQXEEI-CQSZACIVSA-N 444.513 0.945 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)s1 745249263 MKHMEHFISUTGGS-KRWDZBQOSA-N 444.535 0.260 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccn(C)c2)C1=O 748096765 WQCYGCUKSVYWFU-UFIXSJTLSA-N 449.558 0.809 30 20 ICED C[C@H](CC(=O)OCc1nnnn1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 758498676 WGSHIPZBSGEERB-SECBINFHSA-N 432.384 0.796 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 758751163 IUKZHWNXWPCOQD-JKSUJKDBSA-N 448.524 0.222 30 20 ICED CCn1cc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1C 770209107 UTYHNPMZVFJIFN-LLVKDONJSA-N 439.519 0.534 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C)[C@@H]1CCCO1 773788850 CAXVUXYZOVURLU-WBVHZDCISA-N 437.518 0.960 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C#N 774435171 QOTMHLVRCGWKDZ-UHFFFAOYSA-N 430.465 0.473 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCc3cc(Br)ccc32)c(=O)n(C)c1=O 794523017 HCMJOSVSYPALJA-UHFFFAOYSA-N 441.307 0.865 30 20 ICED Cc1nccnc1N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 799427302 ATZSRQUBOGHBKL-CQSZACIVSA-N 428.518 0.951 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 807002853 RBZKAJYGANQJHW-OAHLLOKOSA-N 438.477 0.971 30 20 ICED Cc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 807399088 IBCBVROYYABJER-CSZWZMAYSA-N 433.494 0.742 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249866 CBNBNRLRALIXRP-UHFFFAOYSA-N 439.488 0.436 30 20 ICED COCCN1C(=O)/C(=C(/Nc2ccc(CC#N)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S 814336524 WBQRPFCRJGJWEF-MRPLLJTBSA-N 434.449 0.819 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 815859805 NKHZBMIRKMKXTM-FQEVSTJZSA-N 427.549 0.863 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 819824365 KCOBYFFXSDEAAW-BQFCYCMXSA-N 434.562 0.807 30 20 ICED CN(C)CC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914858549 GUMDXQIEGLDMQU-UHFFFAOYSA-N 449.577 0.518 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCO1 1286943056 RMPDXRCHYJHMTI-QGZVFWFLSA-N 432.506 0.203 30 20 ICED CN(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1298084720 NCKYRPOQDUMXHS-LJQANCHMSA-N 444.584 0.403 30 20 ICED C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1301956564 KRVISAAVXDWIKD-CQSZACIVSA-N 433.538 0.879 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1ccccn1 1360713990 MCCJWSLBWGSAGC-CABCVRRESA-N 433.538 0.990 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1541116085 JIXFDZAJEOHOBP-ZACQAIPSSA-N 439.586 0.691 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541889163 RGRQSLCZZOLYHN-CYBMUJFWSA-N 440.551 0.235 30 20 ICED N#Cc1cn(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(=O)nc1O 1565744999 VUMGFPKXPSHYNX-AWEZNQCLSA-N 433.371 0.734 30 20 ICED C[C@@H](CC(=O)NCCS(=O)(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1598081740 WZVNWWPOEWATFB-ZDUSSCGKSA-N 428.536 0.046 30 20 ICED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1620346886 JNSUXBYQPGVAQK-PBHICJAKSA-N 427.502 0.901 30 20 ICED CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696589641 LMJNIAFPLKKAPT-INIZCTEOSA-N 440.483 0.655 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCN(C)C1 1741921146 OVFAZUBMWRGOBL-KBXCAEBGSA-N 425.559 0.085 30 20 ICED CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1747624383 XANHODVVBZDRPT-KRWDZBQOSA-N 431.518 0.982 30 20 ICED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1748288771 WFZODICALQUHQV-UHFFFAOYSA-N 440.508 0.715 30 20 ICED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CCO1 1750389114 WKHYHKYLUXPODV-OAHLLOKOSA-N 441.467 0.698 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)C1 1770343816 OUECNSALCGHMSO-IRXDYDNUSA-N 431.522 0.274 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778787067 WSVAAZQATYIUAV-LAUBAEHRSA-N 446.460 0.075 30 20 ICED CC[S@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1778822801 HTVLFYFTEHFKBV-DFXYEROKSA-N 433.530 0.926 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC)NC(N)=O)C2 1780739347 BTEUNIBIJVCMPE-GCKMJXCFSA-N 438.525 0.457 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c(C#N)c1 1781175830 SSEPUOAMEIWMPO-JOCHJYFZSA-N 438.488 0.621 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)ccc1F 1781300995 KQGJPMSTLUKAOU-OAQYLSRUSA-N 428.420 0.864 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCOC1 1781309165 SMECBAIYGZWRAT-YADHBBJMSA-N 448.520 0.804 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1781689236 SZPHCBWSJHVLIY-YTSMVRMISA-N 449.548 0.751 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(O)c1OC 1782015356 MRCKZRICJULLSH-OPAMFIHVSA-N 446.456 0.625 30 20 ICED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)CCN1 1782270250 NRJAIQHKCIUVJP-XRWLCIBQSA-N 430.505 0.739 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783568342 USBIXUDSIYNDDT-VTJXTGGHSA-N 435.477 0.208 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2 1783905673 GUOKQUUMLWKKEM-FQEVSTJZSA-N 425.551 0.291 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725349 MYHRWVYTMJIFHW-VGOFRKELSA-N 435.521 0.866 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncnn4C)[C@H]3C2)c(O)n1 1785848331 DUZIRLLBZRKHOB-WBAXXEDZSA-N 440.504 0.941 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788600988 QMNBIYAPVONKPG-SAIWHNMQSA-N 449.552 0.967 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1)C(=O)O 1789268116 RVUCIYGJISJSMJ-LLLHUVSDSA-N 448.907 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1789891884 UIUPQFABZHAMNO-LUKYLMHMSA-N 442.534 0.053 30 20 ICED C#CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCC2)cc1 1791206766 USYHDAHFGKKZJO-DLBZAZTESA-N 440.525 0.934 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncnn2C)cc1C#N 1794572690 KRQJGLHEXQOPEL-IZZQQSIFSA-N 438.488 0.991 30 20 ICED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(Br)nn3c1)C2 1795418957 SYFFOOMCLPEMKN-YWVIFJGQSA-N 447.293 0.999 30 20 ICED CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1797608594 LCNKODDKUGXZHV-ONPXXISLSA-N 433.530 0.929 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798734820 HALZLWSZWPSWDF-YVWYUNDQSA-N 426.429 0.321 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1799306293 QQQMHAMGXBFQKQ-CCWDJLKJSA-N 427.461 0.671 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1CCc2nc[nH]c2C1 1801268784 OSMUSAFXVFIBNN-IIOJAAQTSA-N 425.489 0.816 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802136885 TYTGOOHPTYVEIO-VMKZXYDASA-N 447.488 0.062 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1802476296 HBIYPRHBGQUCBY-OLIFAPLXSA-N 436.472 0.755 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804095001 NXOIAOYYAYKLEW-UTKZUKDTSA-N 425.489 0.833 30 20 ICED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1804345507 YZUBIMNEVWJKSB-DXIQSLLYSA-N 445.479 0.737 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347736 IURMQIPQRCKDOA-IIAWOOMASA-N 435.431 0.897 30 20 ICED Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)c(=O)nc1O 1806854967 NVYUWJSLFJMKQG-FUHWJXTLSA-N 436.472 0.662 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811793831 OVDMGCMOINLSGP-QNWVGRARSA-N 449.511 0.923 30 20 ICED Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](C)S)[C@H]2c2cccnc2)c(=O)nc1O 1813043930 VELFEMSIBRZCOE-FRFSOERESA-N 431.518 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)[nH]n1 1814438392 NPMOHNGICLJCBF-QUOSMTFASA-N 448.480 0.325 30 20 ICED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815244265 ZINXGKNTBUGFRY-WFASDCNBSA-N 445.509 0.796 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](NC)C(=O)O)n[nH]1 1817363936 ZDMUTWJDTACJLF-AZJURWTESA-N 432.481 0.323 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819391398 JUYZOHHVUKSEJJ-URMYYVDKSA-N 444.496 0.425 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822206031 SYCHMGFECDRBNZ-XJKSGUPXSA-N 438.444 0.703 30 20 ICED N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828913409 UKUBEXBWZDRQHX-PTFSYIGCSA-N 431.585 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OCC)CCO2)C1 1829536955 ZVHUAYWYKRVVIU-VGOFRKELSA-N 431.489 0.589 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1831386619 BDVCWIGZJOBYEC-RADWXHQJSA-N 437.537 0.032 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1831608846 JJGBHFQACZDIIG-QKKBWIMNSA-N 432.452 0.279 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1832460600 BMQIKEZJANDSFA-OAQYLSRUSA-N 434.562 0.898 30 20 ICED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccco1 1832664016 JNADLEWMMORBGP-IQTGRTGDSA-N 429.429 0.631 30 20 ICED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1833994804 CACMZMKWFONRCF-ROZQTZPBSA-N 446.504 0.989 30 20 ICED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834415414 ZLZGHEJMTBYHBG-OAQYLSRUSA-N 432.525 0.255 30 20 ICED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834599841 SFCTXWRMZPNNMP-BBRMVZONSA-N 446.577 0.664 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835298717 QGIHEZWUPKCDFU-YCRNBWNJSA-N 432.517 0.750 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675468 RSLNODSISSARLK-OXJNMPFZSA-N 426.583 0.679 30 20 ICED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051618 TTWRPZSSHSGNFZ-OAHLLOKOSA-N 428.537 0.973 30 20 ICED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1836259268 GPXPUJKPOADSNM-SFTDATJTSA-N 425.533 0.466 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837173293 RLJJOPMLXNIZRH-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837403909 VZYLJXAQNQOYGH-FDDCHVKYSA-N 442.516 0.977 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837440499 LOXIQJLFIHFDJG-KADOOAIWSA-N 436.553 0.874 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488774 QYDPODRABFSZIK-QFIPXVFZSA-N 430.505 0.189 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837756203 QRKCZVVGYDTWEU-AOMKIAJQSA-N 446.504 0.033 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1838275906 XJHRAUFRRPXCIS-DHNIJCFSSA-N 446.552 0.524 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)OC)CC2)CC1 1838386662 OJNOBFFAMFKSJN-QGZVFWFLSA-N 425.526 0.914 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838627661 HFDRBNWRNLKSTG-LJQANCHMSA-N 432.389 0.307 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C(F)F)CCO2)C1 1838710266 SSUIBWTXDTWXRX-MGPUTAFESA-N 440.447 0.695 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839174838 ZSYBBFZLIOYVQX-FQEVSTJZSA-N 436.465 0.145 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839223023 IXBGCTNINGPICH-MGPUTAFESA-N 426.514 0.158 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839225178 AIUKFHRVUDPQPX-OXQOHEQNSA-N 440.497 0.086 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839419949 DPEVBXLFDLEJBS-FQEVSTJZSA-N 428.424 0.210 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839425315 VDHVYGIURVHXQB-OAQYLSRUSA-N 448.907 0.808 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c(CC)c3Br)C2)C1 1839807505 DSAQGBRROSEPJO-SFHVURJKSA-N 439.310 0.448 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc4ncccc34)C2)C1 1840040278 TVEDPVBDAJNUCK-HSZRJFAPSA-N 437.452 0.322 30 20 ICED CC1(C)Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2O1 1840042085 ZDGZHHXMNKVEQX-HSZRJFAPSA-N 442.468 0.558 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(F)c(F)c4)CC3)C2)C1 1840042999 BBZIWVKRWYHWDK-NRFANRHFSA-N 448.422 0.541 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840386313 UBHQVRNUDMAVPY-PGRDOPGGSA-N 432.521 0.466 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)ccc3OC)CCO2)C1 1840687656 ZXHGRFHQEZFTPT-AOMKIAJQSA-N 434.464 0.943 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1840819246 YOKPUBBEKVZPGR-OAQYLSRUSA-N 425.445 0.430 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1846978865 BCHZDBWTKMGXLL-UHFFFAOYSA-N 448.483 0.784 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(CO)on1)C2 1847071097 CBFDWBFDPFVOSC-HNNXBMFYSA-N 432.477 0.901 30 20 ICED COC(=O)C(C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)=C1Nc2ccccc2N1 18265124 IELLHZOZODNEHD-UHFFFAOYSA-N 444.835 0.578 30 20 ICED N#Cc1ccc(CN2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 23258071 ZQJMJPGQNZRWIC-OAQYLSRUSA-N 445.589 0.007 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 409565702 OKWBWFVBUCENHU-UHFFFAOYSA-N 432.568 0.711 30 20 ICED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 437101848 YKYLYIHXOBYBHG-AWEZNQCLSA-N 435.893 1.371 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 438752008 JUXTYHKLBCYGQP-UHFFFAOYSA-N 429.521 0.720 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1=O 440267839 NZBWEKIPFLLYRE-KRWDZBQOSA-N 444.488 0.108 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O 440390860 MIWVJYXVCMHKRX-UHFFFAOYSA-N 428.514 0.098 30 20 ICED CN(CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 440873000 YYPFYZLDYGAGMW-UHFFFAOYSA-N 440.547 0.252 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 441960473 OIZVVRLLPWZGJF-HNNXBMFYSA-N 430.509 0.636 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 474346425 QCJKFUJTZSIKKP-UHFFFAOYSA-N 442.541 0.402 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1Cc1ccon1 480941082 XJPMWSZKMNQFQN-UHFFFAOYSA-N 444.900 0.865 30 20 ICED C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 490247770 MNCDUERQXWCEDU-BOIQAPKLSA-N 436.468 0.326 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)nc1 497478013 WANLQHSWOFUMNU-RBUKOAKNSA-N 447.561 0.270 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 514335899 ICTJJIQDASLTDX-GOSISDBHSA-N 425.470 0.788 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(-c3ccncc3)c2)c(=O)n1CC(N)=O 525777875 KBJCIVPKTQWUGB-UHFFFAOYSA-N 445.504 0.239 30 20 ICED N#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 531697049 SJTQZJQIDOCAEQ-UHFFFAOYSA-N 449.352 0.763 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)o2)c1=O 532194301 XMCOTIWVSWCJMH-UHFFFAOYSA-N 447.513 0.048 30 20 ICED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538349459 UYRSFCHYIASWHM-FPOVZHCZSA-N 432.496 0.780 30 20 ICED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543000343 AHQDBOKTNJRHAI-UHFFFAOYSA-N 427.440 0.230 30 20 ICED C=CCn1c(Cc2noc(-c3cnc4nc(O)nc(O)c4c3)n2)nnc1N1CCOCC1 547048849 KZYCWHWKFOUNGW-UHFFFAOYSA-N 437.420 0.691 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 554694504 KSEFGNKTGBTOQM-QCWPFBFRSA-N 440.500 0.570 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](C)C1 562159609 YJOYZDNFGZKZHU-UYAOXDASSA-N 442.564 0.855 30 20 ICED N#Cc1cncc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 572804137 SAGVQVZREAOCKM-UHFFFAOYSA-N 427.430 0.093 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 572805030 CXZCMELURILCLS-IBGZPJMESA-N 426.498 0.843 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 582372901 UPPGZCVPOLMJDB-GJZGRUSLSA-N 439.586 0.254 30 20 ICED CO[C@H](C)c1nc(CN2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 588126889 UOJCSTVNGVDCCO-MRXNPFEDSA-N 448.593 0.989 30 20 ICED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 603845980 FFOQPSDMFYEEJY-UHFFFAOYSA-N 439.494 0.672 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606037175 UTLVSXSMHWMXHG-IBGZPJMESA-N 426.498 0.960 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 610805150 FIPBMDJZVJYUAC-ZDUSSCGKSA-N 436.515 0.330 30 20 ICED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)C(=O)NC(C)C)CC1 613245806 MVPNYDJRXXRJAC-UHFFFAOYSA-N 446.552 0.620 30 20 ICED C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)N1c1cnn(C)c1 617038230 XJJCOAPRUSJWMZ-NIKGAXFTSA-N 435.488 0.886 30 20 ICED CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1F 732910987 WSNXTPWONMOPTF-IUODEOHRSA-N 427.429 0.498 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 733218516 VLCBPAHZESYPGZ-UHFFFAOYSA-N 440.500 0.970 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 742143651 LJVXADOKOOLYJD-UHFFFAOYSA-N 433.917 1.000 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 747993322 FXYDWMNPFAQHSJ-UHFFFAOYSA-N 425.533 0.361 30 20 ICED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 753887672 VAIPFVLTVGIJRN-GJZGRUSLSA-N 435.502 0.727 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=O 754015145 WRTVMZDKXKABIS-UHFFFAOYSA-N 431.468 0.471 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 754118113 IHNNMAACWRVUMA-SMDDNHRTSA-N 444.535 0.908 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc1 757228602 FVZYNOGPFABWGI-VKQKCINQSA-N 448.505 0.021 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cnc1Cl 760376286 XUUXWXBPIIJBDW-UHFFFAOYSA-N 445.932 0.137 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 766651076 YXQIZLLQOSCJOO-UHFFFAOYSA-N 445.501 0.212 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2cnn(C)c2)C1=O 767638227 RSTJTVBBYABGBT-GUYCJALGSA-N 431.474 0.697 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 773635383 CUEWMCZBJCMOHQ-OWCLPIDISA-N 439.534 0.376 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 773648635 CMKXYSCJQRULAD-UHFFFAOYSA-N 446.471 0.534 30 20 ICED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780062642 PZSFMQSXTIVEOL-IAGOWNOFSA-N 445.520 0.601 30 20 ICED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783424137 BLUKQUJPOKFPJO-CYBMUJFWSA-N 443.476 0.918 30 20 ICED C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785063371 XZVTYNJIACXVGK-OMCGBCHMSA-N 428.536 0.321 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785650147 CDTUKLQNORMVGL-OAHLLOKOSA-N 434.880 0.874 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1Cc1ccon1 799939198 GMIZMOYRVLBVJG-UHFFFAOYSA-N 440.456 0.899 30 20 ICED C#CCN=c1nc(N2CCC[C@@H](CCC(N)=O)C2)[nH]c(N2CCC[C@@H](CCC(N)=O)C2)n1 804425131 SGNTUJHAMJEUAF-IRXDYDNUSA-N 442.568 0.302 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1 807548437 XHQFIEJUQHZNBS-YSFPUWIGSA-N 435.506 0.162 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(CN2CCCCC2)no1 816522415 XXBYYIWFZBUTOY-UHFFFAOYSA-N 432.506 0.801 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C(C)(C)C)c3)c(=O)n2C)CC1 917780231 XSUUCLSZBOOJFC-UHFFFAOYSA-N 428.562 0.065 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3cnn(-c4ccccc4)n3)CC2)o1 919340047 OKQVNLOVVQOFBQ-UHFFFAOYSA-N 435.444 0.870 30 20 ICED CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1299260651 OVSHZSLVSXZPGI-UHFFFAOYSA-N 448.535 0.869 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)CC2=O)cc1 1320712990 HKBIARWSDHRFSE-QGZVFWFLSA-N 427.482 0.994 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1360289030 OUQPUUOLDAQXCS-UHFFFAOYSA-N 431.522 0.423 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1=O 1618482782 PRHZTQVJHOURPA-FQEVSTJZSA-N 428.518 0.875 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1619239922 PLRHQJHUHAAICW-DENIHFKCSA-N 426.521 0.867 30 20 ICED CN1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)(N2CCOCC2)CC1 1683147531 RBSMTCKNVJZNQR-UHFFFAOYSA-N 427.553 0.581 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1693773252 IMRAJUBAZMHQEG-HNNXBMFYSA-N 437.504 0.766 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCN1S(C)(=O)=O 1698453772 OSMCLADTSSGVMV-YWZLYKJASA-N 446.533 0.438 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1706626752 QFUCJGBDGCIWJA-KRWDZBQOSA-N 446.533 0.910 30 20 ICED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729744415 JSHUEWLHUXLBQY-UHFFFAOYSA-N 430.538 0.373 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1751240068 ZBWNWQBUXRGDBQ-HOTGVXAUSA-N 439.586 0.739 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1767515978 SPAFGDGHXHDOBD-HRAATJIYSA-N 425.493 0.107 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1778882453 IWDZJOTZWZVCAD-JLTOFOAXSA-N 427.465 0.025 30 20 ICED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1=O 1779099179 BGLROBOPKBEQRD-RVNBFGHRSA-N 432.477 0.358 30 20 ICED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779530992 VOPGMMQIMOBRRV-DRSNIGMVSA-N 433.553 0.473 30 20 ICED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1)C(=O)O 1780169974 XUKYSNOYDMTQJO-DYESRHJHSA-N 430.461 0.073 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c(Cl)c1 1781107222 UKTXAAXOMBRCNO-OXQOHEQNSA-N 432.912 0.822 30 20 ICED CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1781309386 WSIRIORVFUVWFN-LEWJYISDSA-N 436.509 0.804 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567656 NWQWBUGALGKGTR-VFNWGFHPSA-N 431.468 0.885 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782811824 BWIMXVWNHAHRPG-ODGPQVTHSA-N 425.529 0.865 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)CCO2 1783054319 GQBZZVHTZKDRDI-HRAATJIYSA-N 433.505 0.476 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CCO2)C1 1783198379 HOPCXZKJFQCKHW-VQIMIIECSA-N 439.463 0.498 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCCC2)C1 1783315075 UNGQYKJMQGXTGY-TWEUYWRPSA-N 432.565 0.845 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783611495 QAHOSGYYMZTDOX-XFQAVAEZSA-N 436.509 0.490 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1784191715 IUWJJKXGCHQIAQ-QAETUUGQSA-N 436.509 0.516 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1784386092 HUGHPRNWWWZJKG-ZOBUZTSGSA-N 426.498 0.763 30 20 ICED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784530255 HAPKRRYXNMKJGP-BJLQDIEVSA-N 442.516 0.831 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788513596 MJXBHODSFSXYRX-SYUINPOLSA-N 431.581 0.778 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)cc1O 1788629796 BFDRKBLSWPYPOC-BQFCYCMXSA-N 430.505 0.418 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1791261331 RCUJUMXFEGUWMW-MRHSLFKSSA-N 434.562 0.830 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794716689 WTHPAPGDQVQUBV-IVSAIRAKSA-N 431.493 0.530 30 20 ICED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccnc1 1795681810 CRNAPAFVZODDPP-RQQPZPJBSA-N 428.537 0.533 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1796459523 WBHZJUKBKMSFLN-HEFCWWFNSA-N 428.489 0.393 30 20 ICED O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796894065 BSWBSOQDFBOCAC-FBKAWLDUSA-N 430.486 0.677 30 20 ICED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)c(=O)nc1O 1798434987 QUCKJSQTSQKMBP-XFQXHJLBSA-N 430.509 0.367 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)C2 1799301567 BALYDUAGODXLNN-CWLGOENISA-N 436.505 0.675 30 20 ICED C=CCC(=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 1801000349 JSSBLAQEHSHMRU-BASYENTBSA-N 439.509 0.609 30 20 ICED COc1ccc([C@H](O)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1 1802805192 JUGVGBZYLQIQMX-WTNAPCKOSA-N 437.452 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)CC2)C1 1806009414 JJNIWFPPPJCAAY-FXAWDEMLSA-N 443.548 0.726 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1807047199 CJXJUZBLRNZNCR-IRFCIJBXSA-N 434.500 0.866 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812712086 JBLBSQJTCPLZPT-NZQKXSOJSA-N 448.564 0.357 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2c(O)cc(O)cc2O)[C@@H]1c1cccnc1 1812880676 SGQIKOLVGGEFKZ-RNODOKPDSA-N 425.397 0.606 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819448458 RTHZSRSZNKYWEO-AKCHCHLHSA-N 436.513 0.853 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819951902 JDTLYYABYAIENO-YAZXTNQRSA-N 447.517 0.418 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)[nH]n1 1822200939 CXTIYEWFRAHPIX-AWEZNQCLSA-N 439.432 0.134 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829617866 IOXQYFKXGDDYNG-VGOFRKELSA-N 445.472 0.632 30 20 ICED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829630141 UBCPIOUQGFBJOR-HSZRJFAPSA-N 437.500 0.995 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061645 QDBKASXBEOJXJN-AOMKIAJQSA-N 443.504 0.206 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831207452 LIQHMWWJJINNOZ-QFIPXVFZSA-N 446.525 0.574 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831219419 ZQNUZCYLYQGUBI-QHCPKHFHSA-N 441.484 0.834 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831396007 FYRMPUMCRXVREK-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1831397557 SINMCQHPGJWELY-OPAMFIHVSA-N 432.473 0.509 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1831495898 PANDHXBWKNOQMQ-FXAWDEMLSA-N 433.534 0.982 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831497345 BZSHNUWSFWYWBR-SQGPQFPESA-N 429.583 0.702 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)c(C#N)c1 1831766993 SWKYWANJGLNZDW-JOCHJYFZSA-N 439.472 0.603 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1833478197 PQZINCDTJFEKCT-JXFKEZNVSA-N 438.569 0.300 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c(O)n1 1833695855 IDEMDIWBWXVSOK-KOBHVQJXSA-N 445.516 0.747 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833885092 AFCJAJVHZFSXBA-AOMKIAJQSA-N 438.488 0.826 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465750 PLYNUQQMJFEOQP-VBFVGENYSA-N 438.506 0.742 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835318952 GVJNNAREXWUHJD-JXCVUKRWSA-N 433.427 0.644 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccccc1=O 1835824091 IUBDSELKMUOYNZ-MRXNPFEDSA-N 428.489 0.069 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)CCC1 1836130400 KKTGHUAEXYTXLJ-NRFANRHFSA-N 430.461 0.160 30 20 ICED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1836359646 AHJQHTXLVVTYKF-SFTDATJTSA-N 425.533 0.466 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837396707 IXPIPEXVVDWLNB-MSYCTHLASA-N 432.517 0.750 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837403380 SGISLCIXKILJQQ-PGRDOPGGSA-N 433.505 0.359 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1837405279 LLMHHELYSWLYCX-SPEDKVCISA-N 439.553 0.321 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1 1838948980 IZOGRTKYJUAXCE-QFIPXVFZSA-N 444.557 0.677 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1839162903 DLSFVYOGCIIUML-XOBRGWDASA-N 434.880 0.416 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1839175255 XUNJCVXGTQYQKB-OAQYLSRUSA-N 434.493 0.606 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCO)CCO2 1839194883 QNYIDHHQDNOVMM-NRFANRHFSA-N 440.613 0.503 30 20 ICED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c([N+](=O)[O-])c1 1839462122 KAABWPKILITENG-HXUWFJFHSA-N 446.416 0.365 30 20 ICED Cc1occ(C(F)(F)F)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042960 YKPRWZWFIILGLO-SFHVURJKSA-N 444.362 0.765 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cc3)C2)C1 1840043476 AXBWSUICCLVMCL-FQEVSTJZSA-N 438.383 0.446 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840434619 GOQLJRLEMUKAEP-TZIWHRDSSA-N 438.594 0.990 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840494241 UPNJIKMMTXQECU-HTAPYJJXSA-N 448.520 0.718 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)CCO2 1840908976 UDJVXTMPWJGMSC-FDDCHVKYSA-N 447.532 0.773 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OC(C)(C)C)C2 1845959479 VNRWTMZIPVZXPH-OAHLLOKOSA-N 434.493 0.629 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)cc1 1847210646 AVWNKKMKJCBNCG-PMACEKPBSA-N 444.557 0.423 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cn1 427712215 CERMZUGFIZEKST-NUUAEYSXSA-N 430.468 0.703 30 20 ICED CN(C)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 427736324 WJXVPADDYHRJKE-INIZCTEOSA-N 442.563 0.069 30 20 ICED N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 436654517 FQZPHFSGKPLUGC-UHFFFAOYSA-N 426.458 0.764 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 438312338 OYMRYCZZPZAMSE-UHFFFAOYSA-N 446.489 1.106 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(I)cn2)C1=O 440270639 WUBWEASTMIMLBN-LLVKDONJSA-N 428.230 0.870 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)C1=O 440739785 UOOPEPJHBQUGAD-LLVKDONJSA-N 448.407 0.422 30 20 ICED Cc1ccc(-c2noc(CN3CCN(C(=O)C(=O)Nc4ccn(CCC#N)n4)CC3)n2)cc1 444499745 SUKATGWELLFAET-UHFFFAOYSA-N 448.487 1.438 30 20 ICED CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1(C)C 447290296 LLYSIZOBQWDBON-BTYIYWSLSA-N 426.477 1.068 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783069 MCILKPFHQWPIJQ-KRWDZBQOSA-N 435.509 0.431 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463006103 CMSRWDURNKJHEB-OAHLLOKOSA-N 441.513 0.796 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 465413324 DMBGQTVCMJJIPZ-CYBMUJFWSA-N 434.460 0.214 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)o1 471202247 FCHFCUWXDCATKO-UHFFFAOYSA-N 447.538 0.160 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccncc4)c3)CC2)c1C#N 472845428 FRYYXBJJSGAKCS-UHFFFAOYSA-N 433.476 0.527 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1 473968112 HNEPENHDFCYNDM-SFHVURJKSA-N 436.534 0.442 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 481156889 OUNGZZBFIFIHOQ-XJKSGUPXSA-N 432.477 0.825 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 481504835 CQLGTDHEFYXVKD-CRAIPNDOSA-N 434.518 0.465 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 484538355 SLJPDLGYIBYTKA-UHFFFAOYSA-N 447.517 0.765 30 20 ICED COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)n2C 489952923 ATHGIBJOVXBGLI-UHFFFAOYSA-N 433.472 0.814 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 500317555 QEHVVUHMGSSFJT-UHFFFAOYSA-N 441.513 0.937 30 20 ICED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501109578 IWXCABTUAPPMOF-RDJZCZTQSA-N 427.530 0.920 30 20 ICED CN1CCC(C#N)(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 518025323 MXGHIFFUMJHQIP-UHFFFAOYSA-N 432.550 0.860 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 525103894 ISEWDVKLSNYMND-UHFFFAOYSA-N 434.522 0.278 30 20 ICED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 531587825 FXIKJBLHHXWOEB-UHFFFAOYSA-N 425.461 0.927 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 535710276 QQLCKSGRTVYSTA-UHFFFAOYSA-N 432.400 0.910 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 535896392 NSYUVSJDYROZKK-UHFFFAOYSA-N 440.431 0.525 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 536610468 PZVQRZWFMRZVMB-GOSISDBHSA-N 448.545 0.980 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H]3CCOC3)CC2)c1C#N 549595253 ZZGTYKGGDJCKOK-MRXNPFEDSA-N 436.524 0.955 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 551798297 ZWNRTYPTSBZITL-QGZVFWFLSA-N 445.495 0.536 30 20 ICED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)c(F)c1 552777098 RUYLSGWAENOFET-QGZVFWFLSA-N 443.479 0.053 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 557496361 QREVWWNSSBQODA-PWHSHALESA-N 440.500 0.572 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 557673682 QXINXIJSNCKNDV-WFASDCNBSA-N 434.440 0.604 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 559440209 OORGXKJGTUEFJG-LEWJYISDSA-N 427.549 0.696 30 20 ICED CN(CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CC(F)(F)F 559924362 FMMSVZJQACDNQB-MRXNPFEDSA-N 439.438 0.776 30 20 ICED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)CN1CCN(C)CC1 560015277 LMWWAVWQDRITQN-KRWDZBQOSA-N 446.983 0.860 30 20 ICED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CC1 564106025 CNYAWIKSVVZBKF-UHFFFAOYSA-N 448.531 0.065 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579769243 DFRDSUMBKIJIAR-CQSZACIVSA-N 442.443 0.476 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 582995895 KMSWQMRONJBASN-UHFFFAOYSA-N 427.486 0.284 30 20 ICED COc1ccc(CC(=O)N[C@]2(C#N)CCSC2)cc1S(=O)(=O)N1CCOCC1 603886234 MLPVVJBFOZFODV-SFHVURJKSA-N 425.532 0.774 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 608911800 PZGGMBFQBYORSG-UHFFFAOYSA-N 436.415 0.219 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 609503329 LVAPUYUETWTDBS-HXUWFJFHSA-N 440.548 0.752 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 729282192 ZKZOOHMVJPSAAR-ZCNNSNEGSA-N 442.560 0.636 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(S)n1C 731439343 ZSFPXTGZWZBVOF-ZDUSSCGKSA-N 436.563 0.916 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732911178 ZEGMSMIZHDWWLX-RDJZCZTQSA-N 435.477 0.644 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 734551206 MDITZVNOEUXHIW-UHFFFAOYSA-N 425.463 0.315 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)CC1 735043287 BEIRANITGRVSST-UHFFFAOYSA-N 440.504 0.108 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 735567216 FRRJLRHFBQNWKF-KDCJFMNISA-N 437.522 0.868 30 20 ICED CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 735887341 RZVFQBIGYODQHX-ACNSNUFOSA-N 435.550 0.896 30 20 ICED CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 739007060 RPDMEDODCXLRIF-QZQOTICOSA-N 426.521 0.976 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)N(C)C(C)(C)C#N)c1 749518904 LRKZBGXPZYGYCO-UHFFFAOYSA-N 426.495 0.183 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1 758758503 IKXWKTLLSSQEHA-QLFBSQMISA-N 429.543 0.716 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)Nc2nnc(CC(C)C)s2)CC1 770416971 KZQRPSXYGKPLNB-UHFFFAOYSA-N 434.566 0.739 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)C1 771455518 PPIOKYZELBRFML-CYBMUJFWSA-N 434.474 0.536 30 20 ICED C#CCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2ccnn2CC)c1=O 771637363 XXKPVHNTOJVUKK-UHFFFAOYSA-N 446.488 0.917 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2nc[nH]n2)c1 774433506 OPFFFUSFONXZHW-UQQQWYQISA-N 447.521 0.695 30 20 ICED C#CCCN1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 776594370 DROQQIVNAGTGKX-LJQANCHMSA-N 448.589 0.984 30 20 ICED N#C[C@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787052989 PFRWSSQGQQROLT-OAHLLOKOSA-N 442.409 0.765 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790869907 XYPIPNPSWJQTTG-ZDUSSCGKSA-N 446.407 0.509 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 792278611 UTXOHUAOVRKLJI-NSHDSACASA-N 430.841 0.853 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 799798759 YRZDUCFARJJMJF-QWHCGFSZSA-N 444.535 0.632 30 20 ICED COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)CC1 802528488 ZRXMNYRBKKHNDO-UHFFFAOYSA-N 427.509 0.348 30 20 ICED CCOC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 808174499 SWCQXJYLNDBGQK-KRWDZBQOSA-N 427.461 0.471 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCN3CCNC3=O)nnc12 808484723 HLMZHQQUPYOBSR-UHFFFAOYSA-N 428.474 0.891 30 20 ICED COC(=O)CCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 808966429 QRGWZISQFSHPIY-RCCKNPSSSA-N 440.478 0.439 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)[C@H]1CCCO1 809313985 ZONMMSZJFIRMKX-DLBZAZTESA-N 431.489 0.658 30 20 ICED COC(=O)c1cn(-c2cccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)nn1 812981099 LUXARBJAVRHYOG-WUKNDPDISA-N 425.405 0.702 30 20 ICED CCN1CCN(C(=O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816730761 OIWFYQOTLDMAEC-UHFFFAOYSA-N 449.577 0.566 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 913242570 GSEAHEMUXTYSQZ-CYBMUJFWSA-N 437.474 0.180 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CCCNS(C)(=O)=O)C1=O 914551142 YIXZCSHRHUMCPA-AWEZNQCLSA-N 428.536 0.702 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 915719430 GIWTVMSBAJGNNC-UHFFFAOYSA-N 444.883 0.141 30 20 ICED N#Cc1ccsc1NC(=O)CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920407397 BFMVGLYZECFASR-CQSZACIVSA-N 446.576 0.083 30 20 ICED C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1288652352 PRFAXHTUSQTLOW-RDJZCZTQSA-N 439.586 0.691 30 20 ICED COCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1301460678 WLGBJIYTMHNPAU-KUHUBIRLSA-N 434.522 0.786 30 20 ICED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1313490305 VTFFMPXTKRRFES-UHFFFAOYSA-N 425.493 0.638 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315427132 PDTSOAROSRWZHP-QAPCUYQASA-N 446.533 0.964 30 20 ICED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1315537246 LDIWVFWJXDSZBQ-NQIIRXRSSA-N 428.493 0.661 30 20 ICED N#C[C@H](C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C(=O)N1CCS(=O)(=O)CC1 1343333279 ATZWRVAEYXTNJG-LLVKDONJSA-N 442.379 0.261 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 1516656952 GICDZWWJAILOBM-KRWDZBQOSA-N 434.460 0.770 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1540998030 LIGOYDASFKLWRC-ZHRRBRCNSA-N 440.504 0.937 30 20 ICED Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c(=O)c1C#N 1641514119 XKLMVJZRYNFCEG-LLVKDONJSA-N 433.266 0.956 30 20 ICED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1692763345 NKCCAVUKTYUZGZ-UONOGXRCSA-N 446.599 0.984 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC=CO2)C1 1698314078 VYQLQVBYYDSGTD-JYJNAYRXSA-N 438.510 0.032 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779103786 AUIGWWKPIBULLL-SNMCFTQTSA-N 442.476 0.930 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1)C(=O)O 1779442499 PODCWDCYAWZKAY-BVDRTOKDSA-N 434.493 0.275 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)c1Cl 1780187557 HFQQWCVBOKQWHS-FQEVSTJZSA-N 445.863 0.207 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780692327 RYPLUHLOGNGCMU-FOIQADDNSA-N 434.518 0.330 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)c(O)c(Cl)c2)C1 1781123080 SHQYSDCNXMXLET-FOIQADDNSA-N 436.848 0.967 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813480 GUMLPPZWGUPLAY-QHCPKHFHSA-N 444.484 0.946 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1781973124 QOPZCUJMZQFJNW-YJYMSZOUSA-N 429.868 0.903 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728474 XLULOPMUSGEYFH-SBUREZEXSA-N 426.517 0.252 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786670 DLSNFLYCVYMPAW-MGPUTAFESA-N 449.464 0.387 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1783766231 HPBQIJWBBPSZBE-VFNWGFHPSA-N 438.525 0.374 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785328377 PGHCFWKMZPJVDT-HPZZRFSDSA-N 443.504 0.522 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1785571148 ARMAMUCLADWSMK-YCRPNKLZSA-N 431.493 0.770 30 20 ICED COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1786426482 NSWPLSURYAUFQW-ZVZYQTTQSA-N 439.472 0.981 30 20 ICED C=CCO[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 1787493424 VANNYCQCXGLGIC-KARBZBNUSA-N 438.550 0.360 30 20 ICED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1788523671 AHCFMMHESGAITH-IVSAIRAKSA-N 441.492 0.174 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(Br)n3)C[C@@H]21 1791075705 PFPNANVSTIWTKS-NHCYSSNCSA-N 442.291 0.587 30 20 ICED CCOc1ncc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077125 LOBWNNXXSUDCHI-RCBQFDQVSA-N 435.864 0.815 30 20 ICED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1791441099 YYKFXLAGGSBDFW-ACRUOGEOSA-N 430.593 0.940 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NNc1ccccc1 1792503976 JTFSWCNFBVKQDJ-MICTXERYSA-N 441.532 0.440 30 20 ICED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)NCCC#N)cnn2c1 1795599016 LIRQMIBEOMHGIE-ALXJQNPVSA-N 439.520 0.523 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cccc1C=O 1795750070 NILMTXIXMXCENF-BBMDWEMQSA-N 446.504 0.980 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)s1 1795821485 GDWIQBXHDWJDRA-VSVFVRMCSA-N 437.522 0.508 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1796595843 OEXBAZXQZFIAHC-ALXJQNPVSA-N 432.525 0.015 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1797839618 ONDVWKNNYHOULB-OMWLRPENSA-N 427.461 0.417 30 20 ICED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1I 1798115799 REHJXRSMQBGUNS-BZBKMWRSSA-N 429.218 0.131 30 20 ICED 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 1799195822 CZDFNDHGBWGYBV-KLOLGFOXSA-N 443.566 0.122 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)c1 1799746646 JTBLJLLSRHQBEN-DRXBFXEBSA-N 428.380 0.846 30 20 ICED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1800185922 QTZMJBPMQFTADR-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710778 SDHDIFFJZXCAMS-CUSZFKRNSA-N 433.505 0.235 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(C(=O)OC(C)(C)C)C1 1800764277 ZPHVLXNOINSSLA-NQKDJWEYSA-N 447.532 0.624 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)C2 1804370597 QDLMKNDGSAHMJD-YVSFHVDLSA-N 449.552 0.812 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805410657 OQOUEDLLNMRHTD-OAHLLOKOSA-N 437.493 0.191 30 20 ICED N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1807055875 UCPOXZDPTKXHMU-MXMUCEGKSA-N 431.497 0.099 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(CS(C)(=O)=O)nc2)[C@@H]1c1cccnc1 1807917353 RIBRJEGBRGFXOA-UZLBHIALSA-N 426.498 0.974 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)C1 1812872508 DOCVJEVTMFPJKJ-MQJTVSLUSA-N 427.457 0.765 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1814055357 QSGUVHLPFUUDQX-NVXWUHKLSA-N 427.461 0.324 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1814066608 IWHSBUDHTWTZJB-UWJYYQICSA-N 436.472 0.706 30 20 ICED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]nnc5n4)sc3C2)CCC1 1816675847 UXSZGTGYKRKKOT-SECBINFHSA-N 439.461 0.189 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817096910 SBAVBPSZDZQKER-WWQCOOJYSA-N 444.473 0.429 30 20 ICED CN(C)C(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817316324 BDYMPRHAJAYKON-HNNXBMFYSA-N 432.529 0.955 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817358999 LELZKCSIVWZVSV-ZFWWWQNUSA-N 434.497 0.504 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](C)S)CC3)CC1 1818898276 DEHMZCNRCRAVQM-YPMHNXCESA-N 425.580 0.538 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)CNC2=O)CC3)c1 1822024819 PCWLXNZNPAKHEM-CYBMUJFWSA-N 438.469 0.792 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829705151 CHJXMGLTQZOWDR-OAQYLSRUSA-N 441.594 0.474 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829896107 LRLJIMNEAGTEEM-NZQKXSOJSA-N 442.516 0.472 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1830462790 NUTFXRJROCJHGI-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1831391266 LTUFJWIDXLTEQE-JPYJTQIMSA-N 430.501 0.732 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2)C(C)C 1831493497 SHRUJNVJCWXUIA-SQGPQFPESA-N 430.567 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832160731 OEFURZFMDNFUNG-KKXDTOCCSA-N 438.443 0.329 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)n2cnnn2)CC1 1832283206 CGXOOBGIUNXSGK-GVWYBQPMSA-N 429.525 0.712 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834395907 OPMANAJDUYNHFF-FDAWLNKWSA-N 435.481 0.019 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1834756194 NOELEFURCRORNA-QFIPXVFZSA-N 440.456 0.043 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835124113 MTPUJGMXHOESNN-PGRDOPGGSA-N 426.473 0.215 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835289979 QGIHEZWUPKCDFU-SFYKDHMMSA-N 432.517 0.750 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1835355015 OSGJTTTUXTVDCS-OAQYLSRUSA-N 444.513 0.823 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835365953 ZENREDGCDIHVFG-QFIPXVFZSA-N 445.472 0.612 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4ncnn4c3)CC2)CC1 1835630503 VEQQAFMEIOFTQN-KRWDZBQOSA-N 438.532 0.953 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836526530 VZQGYNZCGYKMAI-QFIPXVFZSA-N 439.472 0.539 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1836868420 SXMLTJLYPLPYQT-CRAIPNDOSA-N 441.525 0.641 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836879861 FURQUFJEQLYCAX-SFHVURJKSA-N 440.566 0.491 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160579 QGGQVKOHWBBYMH-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837397120 QUXBPLNFIYLPJC-WMZHIEFXSA-N 442.516 0.977 30 20 ICED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486788 PZUAQJHVYRNHQS-AUSIDOKSSA-N 436.549 0.548 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560239 UITMQYKNJWUEAW-BAANAVDVSA-N 443.504 0.688 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837663277 UMCBLZDRISZEEM-LJQANCHMSA-N 447.469 0.160 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838095583 WMTBPAYJGDTEIE-OAQYLSRUSA-N 432.477 0.364 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)c1 1839122105 QLQAVOMXLBTTNO-PKTZIBPZSA-N 442.516 0.779 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1839225570 NIPVWLTXEYZEAZ-IIBYNOLFSA-N 444.492 0.600 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839239947 NACAWDUZTAQIBB-QFIPXVFZSA-N 446.552 0.307 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839363143 KVOYRSWERGVPBT-WKRVVKTRSA-N 447.557 0.981 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559723 YLQFPBHRTXBNDW-JTSKRJEESA-N 428.489 0.995 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cc(Br)ccn4n3)C2)C1 1839808162 MENHFPYFLZIDNM-LJQANCHMSA-N 447.289 0.800 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839887517 GYNBQQSPGWEZMV-INIZCTEOSA-N 429.380 0.599 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839967925 GDKRKLDSLSKWRK-JTSKRJEESA-N 434.464 0.699 30 20 ICED Cc1cccc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]c12 1840044783 XJYIFXYARZEHFO-OAQYLSRUSA-N 426.429 0.029 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840163244 QIAQIWDBTXRQIL-SGTLLEGYSA-N 425.463 0.689 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325062 CBVHMXQYMJJDDH-GQBLCDNYSA-N 432.525 0.270 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4Cc5ccccc5CN4)C3)C2)CCC1 1840813798 WUTSLQLAPMBLCU-YKSBVNFPSA-N 438.528 0.851 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1)C(=O)O 1840838699 XAJVMKJPWSZSOW-YDBYVANFSA-N 445.447 0.727 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841649823 MNYLKFSQBFXSPJ-HOTGVXAUSA-N 448.520 0.995 30 20 ICED CC(=O)N1CCC(N2CCC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)CC2)CC1 1843952410 IIFUKPPUNZIDDN-UHFFFAOYSA-N 444.532 0.001 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845139235 SBVZFUICVJAVSD-IBGZPJMESA-N 428.489 0.464 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc(C#N)cc2)CC1 1847211446 AHNDZLGDBLDRLQ-VXKWHMMOSA-N 437.544 0.857 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)cc1 16106899 VBEGWSDFLDYRRI-UHFFFAOYSA-N 438.469 0.196 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 61348503 JMUFPGKMAZOSCR-UHFFFAOYSA-N 436.490 0.310 30 20 ICED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 409589728 WONXDQZTOGJMMU-UHFFFAOYSA-N 430.552 0.668 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)n2)CC1 426918979 PNRRLLZVXIBPMD-UHFFFAOYSA-N 439.495 1.448 30 20 ICED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 428268117 PQQIYYVRNXVSNV-UHFFFAOYSA-N 437.459 0.557 30 20 ICED CCC1(CC)CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 428844157 XVVGJGBFRZUQCD-UHFFFAOYSA-N 427.548 0.995 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 430405463 RUHMOKHYTUFAHM-WOJBJXKFSA-N 434.581 0.925 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1 461779867 RQRWDGCTBOSBRS-MRXNPFEDSA-N 443.547 0.467 30 20 ICED N#CCN1CCC[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 478318072 CWBBGZQCJNMSIR-IBGZPJMESA-N 434.562 0.992 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccsc2)c1=O 479397667 KVNUQMWGTNEIBQ-UHFFFAOYSA-N 427.511 0.056 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3c(C)nn(CCN(C)C)c3C)CC2)c1C#N 480337998 BAQXGKWKOXYGAN-UHFFFAOYSA-N 434.570 0.486 30 20 ICED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1 488652354 GXIBSGBSJRFPQF-INCQDFKNSA-N 431.522 0.997 30 20 ICED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491040213 VQTBKJAMKFDLFC-OAHLLOKOSA-N 439.476 0.232 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCCC(=O)OC 501767823 YHOCWXXNKMOVQS-UHFFFAOYSA-N 443.525 0.437 30 20 ICED Cc1cc(C)cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)c1 502047747 WYPYURLDWRRAOC-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 508790503 KCHSHMHMCXDNNV-QGZVFWFLSA-N 440.570 0.795 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnc(-c3ccsc3)n2)CC1 511014417 MVPFSYRKFQCYPV-UHFFFAOYSA-N 443.514 0.806 30 20 ICED N#C[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1Cc1ccccc1 512813007 BJFHSNRQNCHPJL-JOCHJYFZSA-N 428.581 0.796 30 20 ICED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516095292 JXVLBNYUSNYAHR-UHFFFAOYSA-N 427.486 0.953 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccncc2)c1=O 522283727 LKQCYROYXIDGJP-UHFFFAOYSA-N 441.557 0.008 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 530317713 GVCFOZUKZUWHMB-LLVKDONJSA-N 437.930 0.609 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 539179686 ZXZVUGLLJIAMRC-ZDUSSCGKSA-N 429.433 0.733 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)nc1 565258778 MDEHZBWYHHOFPI-OAQYLSRUSA-N 448.527 0.619 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 565973620 OXBNOPLDLGLBIJ-OAQYLSRUSA-N 439.491 0.873 30 20 ICED COC(=O)[C@@H](NC(=O)Cn1cc(I)c(C)c(C#N)c1=O)C(C)C 565979206 LLENOMUMPUPHDS-ZDUSSCGKSA-N 431.230 0.947 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@H]2CCCO2)c1 570651030 PVPFBLNUXMOZLJ-LJQANCHMSA-N 449.515 0.923 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571697162 RIPSXETVEZIMCO-GDBMZVCRSA-N 428.536 0.061 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 580915656 WPJBSMNECDSTDM-HNNXBMFYSA-N 426.477 0.360 30 20 ICED Cc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)nn1CCC#N 581102481 MTIJBTVKBZMXKE-UHFFFAOYSA-N 430.490 1.465 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 584076602 GGMMLUSJRKLXQV-HNNXBMFYSA-N 445.430 0.454 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)c1 609570932 JNALHTJIBSGSGJ-UHFFFAOYSA-N 432.505 0.870 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 611896611 XSMDYTFCSQMDPX-UHFFFAOYSA-N 443.895 0.568 30 20 ICED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727161318 VJXSWDCJLZYWKM-UHFFFAOYSA-N 429.546 0.855 30 20 ICED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 728466524 MRMFBPPDUQMAGI-USMQXWLVSA-N 449.533 0.565 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1F 730218667 OMOKLUJJERWODV-QGZVFWFLSA-N 438.525 0.844 30 20 ICED COCCN1C(=O)c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)cc2S1(=O)=O 734578205 NCHCILHIMAWRNY-KRWDZBQOSA-N 443.437 0.733 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 735939833 JUSXONRNFJIPLW-UHFFFAOYSA-N 449.529 0.534 30 20 ICED CC(C)(C)c1nc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 736164268 DEXMIOSKKYMHFZ-UHFFFAOYSA-N 446.533 0.750 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 737512531 RAIWVNUGJRAEKG-UHFFFAOYSA-N 430.442 0.952 30 20 ICED CCN(CCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 742565685 FBHBUHLMSGYWOE-ZDUSSCGKSA-N 430.552 0.292 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742661278 LZMLCXXLZLUGHE-GFCCVEGCSA-N 428.536 0.044 30 20 ICED C[C@H](C(=O)N1CCCC1)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 755935819 FMTKDTYMOXFEIS-GOSISDBHSA-N 438.532 0.908 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 758093758 SUMBRBSWVQAFBY-AWEZNQCLSA-N 437.522 0.995 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC3(C2)OCCO3)CC1 761685141 HYOOOMIYDWIRQR-UHFFFAOYSA-N 434.518 0.230 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 780042713 FLHFDZWRDSDHDI-HNNXBMFYSA-N 427.461 0.209 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)C[C@H]1CCCO1 781513709 ANWHKXIYPRIOPY-CQSZACIVSA-N 443.547 0.911 30 20 ICED C[C@@H](CC(=O)OCC(=O)NCC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 785347058 JKPSADRAMXUBSZ-LBPRGKRZSA-N 439.490 0.505 30 20 ICED CN1CCC(CNC(=O)C(=O)NCCNc2ncccc2C#N)(N2CCCCC2)CC1 787755699 MMFOQEWHTKYVKF-UHFFFAOYSA-N 427.553 0.548 30 20 ICED COc1ccc(OC)c2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C[C@H]2O 787942589 DILVOAYXSGEJSQ-MRXNPFEDSA-N 431.470 0.930 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccnc2-n2ccnc2C)n1 793804106 FGPKWTGMNYMAMP-UHFFFAOYSA-N 435.488 0.697 30 20 ICED N#C[C@H]1C(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)=CC(=O)n2c1nc1ccccc12 809988003 UPHRPFGGHNXKHJ-HNNXBMFYSA-N 437.485 0.953 30 20 ICED C[C@@H](C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)n1cnc(C#N)n1 810803549 MIAYQWNJOJLJMU-VIFPVBQESA-N 446.898 0.120 30 20 ICED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812252350 BDEVNTYMRAWMNO-CVEARBPZSA-N 444.517 0.731 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CCC3)c2=O)cn1 814251936 XZEYAAFEAUSTMA-INIZCTEOSA-N 442.541 0.976 30 20 ICED O=C(N[C@@H]1CCCN(O)C1=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 816755488 BFVKPNYIPZOJTJ-LLVKDONJSA-N 427.387 0.856 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 917750567 RZYQEPKCXPDXQP-CAPFRKAQSA-N 439.519 0.738 30 20 ICED CC(=O)NCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 917940211 YFHQSZVDGPSCKG-UHFFFAOYSA-N 435.483 0.960 30 20 ICED CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1288001984 LTLWTTMCJQJJFI-NRFANRHFSA-N 444.561 0.897 30 20 ICED COCCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1316101849 OPOOOBKXOFJXHK-LJQANCHMSA-N 425.555 0.927 30 20 ICED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507784685 JULQTNMRDKLJRT-LBPRGKRZSA-N 448.343 0.977 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)CCCO1 1510217304 IBLXDEQPKANXMA-QOKNQOGYSA-N 437.570 0.634 30 20 ICED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1517591248 WMOODROVGZVZGY-UHFFFAOYSA-N 431.522 0.471 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1519116861 NWAFENWBTNBANX-UHFFFAOYSA-N 441.536 0.690 30 20 ICED COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1519173256 TZUUDTZOCIFYID-FQEVSTJZSA-N 449.533 0.466 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1554430236 PGGXHFRZJVRQMQ-KRWDZBQOSA-N 435.492 0.983 30 20 ICED CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1554438131 MJQSACWPGDOVEU-UHFFFAOYSA-N 435.492 0.868 30 20 ICED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1626503468 VIEKEEILDGSNLT-OAHLLOKOSA-N 429.502 0.575 30 20 ICED CCOC(=O)c1cnn(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1641015313 RXNXXTGLXPYPJH-UHFFFAOYSA-N 445.501 0.962 30 20 ICED CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1645149113 ZIFRKWJNWQLYPV-NRFANRHFSA-N 433.512 0.790 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1692786425 OFGWVMBHRDMOOZ-DZGCQCFKSA-N 444.583 0.453 30 20 ICED COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1697818980 WDXGCPYWEVUOHZ-PBHICJAKSA-N 434.522 0.812 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CCN(C)C3)CC2)c1C#N 1707807916 RCULOFFACVSNOA-OAQYLSRUSA-N 427.557 0.708 30 20 ICED CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1710987222 MASNOZOORDZNSQ-UHFFFAOYSA-N 436.520 0.687 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1722870679 VRBNSANWVOWEGG-GOEBONIOSA-N 436.542 0.183 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1750209862 XKZONDMQTUHANG-MRXNPFEDSA-N 443.533 0.425 30 20 ICED Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCNS(C)(=O)=O 1751928709 UEBAIJCYRYEDOA-UHFFFAOYSA-N 440.533 0.882 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777831878 LOXCJKOFUAURSF-QFIPXVFZSA-N 431.456 0.948 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832545 SQMIJNXGXUQICW-QFIPXVFZSA-N 447.455 0.518 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065163 NYDZVYMDKWBUJX-VGSWGCGISA-N 434.537 0.223 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779365870 SORWFUGJJMEOFU-USOIZYORSA-N 445.568 0.900 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779553427 INTLVTIITVETOY-LNNXQNCSSA-N 425.526 0.243 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1781266924 FBTUEJGTUMIFDP-XMSQKQJNSA-N 430.505 0.811 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1782190215 PZHPMXZLOGDDCK-DYESRHJHSA-N 448.545 0.769 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195366 YZPKMHXDTGKXID-RCDICMHDSA-N 438.488 0.793 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783498412 RROMKSSMZAMDQG-OWSLCNJRSA-N 426.583 0.816 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)C1 1784012948 MTGYQRMDROJWAA-FGZHOGPDSA-N 448.520 0.492 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c1 1786648538 GHSJFGFQGWUSOK-WBAXXEDZSA-N 435.502 0.205 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859717 YRPRQTKWSUJZAV-WDSOQIARSA-N 430.553 0.831 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cnc(O)nc1O 1787431696 RAQRRDKEEWILGH-SFNAOAHVSA-N 429.433 0.193 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)[C@H]2C1 1789786367 ZLVFPLFNFDDIBH-QSUVVDIXSA-N 437.537 0.870 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)c(C)nn3C)C[C@@H]21 1789890516 YTPMFPKYJJQZOB-JYJNAYRXSA-N 436.484 0.970 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1789892309 ORPODEKMTRAHKW-SNRMKQJTSA-N 443.500 0.888 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(NC(C)=O)c1)C2 1792489465 YLTRKSONRJDYKN-MOJKRCCLSA-N 441.488 0.102 30 20 ICED 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)OC)C1)C2 1792490073 JVTGTHNWEKJSSD-HJDQXBSRSA-N 447.532 0.414 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794435150 GLYOAWNBOLVUTB-DACLVMHWSA-N 448.520 0.939 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C3)c(O)n1 1794488965 ZBLZWOCDLZXARO-ZTENYAIWSA-N 430.505 0.621 30 20 ICED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796078111 CMHYNSYYSFLHPF-OEYIWLLWSA-N 427.548 0.148 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797742147 LADPMFWMDKTSRV-JALPMVAMSA-N 435.525 0.577 30 20 ICED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1)C(F)(F)F 1797808545 JCCVQBYCHKFVRK-YEGNLMCNSA-N 437.415 0.418 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797854422 QOXRIJJFTSWVPO-YRPNKDGESA-N 425.485 0.614 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCSC)C3)c(C#N)c1 1799240730 HQRCODAGKWIBTI-NZGUISNBSA-N 447.557 0.813 30 20 ICED CCC[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 1800778645 KZRGCMZDOBZCLM-BASYENTBSA-N 437.493 0.357 30 20 ICED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1800839889 SHRWAGYFMREPCM-FTEYMNFISA-N 443.541 0.447 30 20 ICED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1801636090 BSZAPFVHVIBNNB-JONQDZQNSA-N 442.520 0.284 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992150 ZMAOTPGNVDKFMX-JWVYWZTKSA-N 438.488 0.454 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1801995693 LQEHNFIEOKKPJC-UPHUGPLXSA-N 446.467 0.883 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1802487353 HTAXWIWKJINBKL-FRWFVBGZSA-N 436.472 0.755 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1804192316 MCVCGEGKXHFZKS-UGKGYDQZSA-N 444.557 0.231 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1 1809226156 XXZMWKWCCNXICC-KBAYOESNSA-N 433.472 0.877 30 20 ICED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1810357860 UJICGCQERZURIJ-XWKDNMMISA-N 431.497 0.099 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811181950 ISZYFCZVOSBNHH-ALKREAHSSA-N 438.488 0.881 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(C)=O)[C@@H]1c1cccnc1 1812645038 FQWWRLJJLHKAHZ-RCQBIZGYSA-N 427.505 0.470 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(=O)n2O)n[nH]1 1816147091 XKZMMLBQLAPPAW-FJVVXJACSA-N 440.460 0.973 30 20 ICED CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452019 AMFOCUWCLYLDRI-YBPPGXJBSA-N 441.510 0.975 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC(=O)NCC)sc2C1 1819681553 OESHAUQREZXPRD-GFUJYOBASA-N 448.549 0.621 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612763 XWBFZDODAFJGNK-DNCUGEDOSA-N 437.522 0.307 30 20 ICED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2)C(=O)C(=O)O 1824674304 PQNRJTWCNOCYHN-FEQLDZPWSA-N 447.473 0.310 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCN2C(=O)OCc1ccccc1 1829101043 QQNOLSNZFFTDGX-SELNLUPBSA-N 425.485 0.843 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1829770381 MLVKRGOJJGQGCZ-XQQSMPNESA-N 449.895 0.058 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)c2c1 1831219091 RACLYLYGGUFAAU-QHCPKHFHSA-N 433.468 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832490898 AUFFYSJWCVGXEC-LLBVYWAGSA-N 444.484 0.321 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H]4COc5ccccc5O4)C3)C2)CC1 1835338545 KYUJMDDKDXOOGJ-SBUREZEXSA-N 441.484 0.977 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)CC1 1835345687 UJECMAVPWJWWTE-HOIFWPIMSA-N 430.505 0.148 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(-n5cncn5)c4)C3)C2)CC1 1835346243 XMEKYEQLZNBNKX-JOCHJYFZSA-N 436.472 0.641 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835587343 DLGURAWOJBUNAL-LXBDKUERSA-N 428.533 0.931 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835750262 OHXQRHQZNQEFGO-UHFFFAOYSA-N 442.564 0.548 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1836468646 LCUKFNFZWQZIGH-OAQYLSRUSA-N 449.529 0.842 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837486533 IBLHOBOJNRZICZ-XXBNENTESA-N 434.533 0.711 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1837533470 VXNQUBFASDHINZ-HVHMTYQGSA-N 441.550 0.867 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1837869345 KXKCRDZNDFEISW-QGZVFWFLSA-N 447.580 0.793 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1838840194 YUXUHMVPQBSCRZ-OPAMFIHVSA-N 449.504 0.760 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1838950393 RONSGBIIDCQOMT-HXUWFJFHSA-N 431.518 0.645 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839173175 CVMOQIFMHQHEER-PXNSSMCTSA-N 428.551 0.907 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1839174968 GNMJMQXTSCBRNB-PABYOWBDSA-N 449.548 0.292 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]c4ccc(C#N)cc24)CCO3)c1 1839487323 BMAFJLFVPCYURK-QFIPXVFZSA-N 449.471 0.552 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4CCC5(CC4)OCCO5)CCO3)C2)CC1 1839773178 ABBSFBPOWGHIPA-NRFANRHFSA-N 433.505 0.680 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc4c(F)cccc43)C2)C1 1840039626 AUZNAWAKPNCPAX-JOCHJYFZSA-N 443.431 0.325 30 20 ICED COc1c(C)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840043770 UBSZZDBJJXJODW-JOCHJYFZSA-N 430.457 0.470 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840159034 VRVOTTLWYBALTN-MGPUTAFESA-N 431.518 0.656 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cncn1 1840420187 DDFGVCYSRMYROP-HTAPYJJXSA-N 438.488 0.675 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457880 YFMZBLDSNLUIGT-PGRDOPGGSA-N 432.521 0.439 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1840714130 VNYYJGNFDDAQTL-ZHRRBRCNSA-N 438.488 0.826 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1840920642 CNGCVQIDRZWLGB-CVDCTZTESA-N 442.516 0.308 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847434968 PIHXMLNXALUHCY-JVJLKXRTSA-N 429.517 0.959 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 25957850 RIMLGEDZQBQXAH-UHFFFAOYSA-N 428.536 0.109 30 20 ICED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409596673 LJWXFSUPMXCDKU-IAGOWNOFSA-N 442.925 0.641 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 430477350 ZIHXPPDFAWKZIA-VVBPWWLESA-N 438.488 1.571 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1 437319585 SFXNADRXKSYSDP-UHFFFAOYSA-N 442.544 0.648 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 439344085 DIZRCFYGUZPXDO-UHFFFAOYSA-N 433.421 0.299 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)c1 468916795 JXAKMQAARMZNLX-UHFFFAOYSA-N 432.458 0.598 30 20 ICED N#Cc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)s1 484432816 OVEGRCWEIMKQMV-AWEZNQCLSA-N 443.550 0.727 30 20 ICED C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@@H]1N1CCN(C)CC1 497478825 ZORLZOCZPCPOEZ-PXNSSMCTSA-N 433.578 0.977 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502057761 YFYKEVOCUOYSSD-OAHLLOKOSA-N 437.525 0.595 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 507489576 XXZIEUUJZJSIPB-HNNXBMFYSA-N 446.533 0.817 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 509249171 QFCVUPNJHKJPQV-RDJZCZTQSA-N 426.514 0.912 30 20 ICED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 511078874 WXKQWHRAXGSQSU-QGZVFWFLSA-N 437.521 0.978 30 20 ICED CCN(C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1)S(C)(=O)=O 519795884 TXLJQJWGAGXLSW-UHFFFAOYSA-N 428.536 0.109 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 533884383 ITXPUSFBZRDRDX-QGZVFWFLSA-N 442.541 0.530 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1 552518673 FRWLJPUEZPCLMK-IBGZPJMESA-N 432.484 0.519 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)NCC#N)cc2)cc1 553653788 GALFPVYWUXCUIH-UHFFFAOYSA-N 443.485 0.493 30 20 ICED CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC1)C2 555026809 NHPWREYKTASDHA-IRXDYDNUSA-N 448.531 0.847 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC3CCCCC3)nc2)CC1 560945052 LRRFIPBIGPYAOF-UHFFFAOYSA-N 443.548 0.856 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 563643347 WEKFQPDIOWDUDW-UHFFFAOYSA-N 444.473 0.879 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)c(F)c1 581748576 GPGSNIJVYFNKFR-LEWJYISDSA-N 443.523 0.840 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581780646 NWAKPMJFHPCQQJ-PKOBYXMFSA-N 449.515 0.689 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 583782956 JOEZPLIVUZZSMW-UHFFFAOYSA-N 429.408 0.730 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 598357123 FBNYDJZXGDIGGG-UHFFFAOYSA-N 436.534 0.883 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 608911452 GEBGFXSIWYTVHU-UHFFFAOYSA-N 436.415 0.196 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 609946460 XAEXGEAONYKQHY-KRWDZBQOSA-N 445.476 0.648 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 610805098 QNHZPENWRWNKTI-RDTXWAMCSA-N 433.534 0.166 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cscc2Cl)c1=O 610928834 MDVWAUGJNNHIDQ-UHFFFAOYSA-N 441.962 0.927 30 20 ICED N#CCCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 612380518 YGFQWQKGGXPKTJ-UHFFFAOYSA-N 441.897 0.991 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 729352371 OFPSOTCXAQGKOO-UHFFFAOYSA-N 431.436 0.972 30 20 ICED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 741443409 SSLMKCJNPNOPIQ-AEFFLSMTSA-N 447.513 0.270 30 20 ICED CCOC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)sc2c1CCC2 743917204 DHHCEBURXRGADK-FOCLMDBBSA-N 446.485 0.995 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCOC 748790273 AALKADIOULSJPK-UHFFFAOYSA-N 446.554 0.535 30 20 ICED COc1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc(OC)c1OC 759408437 AZIMBMIQGQZWED-UHFFFAOYSA-N 428.449 0.720 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)o1 760378534 PVYMPMFKSGZXAR-UHFFFAOYSA-N 444.557 0.379 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cn2)c1=O 761837367 WYENQKHSYMIOJZ-UHFFFAOYSA-N 430.555 0.338 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C[C@H]1CCOC1 762136498 FWOXKZXNRYWGOZ-ZFWWWQNUSA-N 443.547 0.766 30 20 ICED CNC(=O)COc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1OC 766978688 BGVVZSWGIRIGGG-UHFFFAOYSA-N 433.442 0.819 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 767194743 FJGCWTNYLJIVCS-CQSZACIVSA-N 440.522 0.571 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 767676959 QKOYXBIFJRDLSV-YOEHRIQHSA-N 443.481 0.888 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 779193901 IPRWSBFERSLGPH-KRWDZBQOSA-N 432.502 0.965 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n(C)c1 779206471 NDCZFNCSQCFEMY-UHFFFAOYSA-N 430.895 0.919 30 20 ICED COc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCN2CCNC(=O)C2)c1 781102289 HNCOHULBMGDFJL-KRWDZBQOSA-N 445.545 0.727 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(C)c2)c1=O 781658920 DEJDUBGWAKWMMP-UHFFFAOYSA-N 428.514 0.859 30 20 ICED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ncn(C)n1 782139174 VPMBWWUKPJCJFJ-RDGOFQKVSA-N 433.494 0.444 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 783350469 MHLFFCQOTCLAKB-UHFFFAOYSA-N 443.547 0.517 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 783350875 REZSLRWLWSJMBE-UHFFFAOYSA-N 445.563 0.560 30 20 ICED N#Cc1ccc(COC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c(OC(F)F)c1 786197262 LTDSPZLPBIITBA-UHFFFAOYSA-N 429.357 0.873 30 20 ICED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)CC1 787611951 AHSZNFVRVZJCPX-AWEZNQCLSA-N 437.522 0.921 30 20 ICED N#Cc1c(Br)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 804975968 OOWVBPQUFBTOCD-UHFFFAOYSA-N 438.325 0.261 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@@H](C)C1 807319167 UNRBUAHFSBRKEG-CYNURGJPSA-N 435.550 0.991 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839370741 QHRVKZNVKZSLCJ-UHFFFAOYSA-N 435.575 0.052 30 20 ICED N#C[C@@H](C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc2c(c1)OCCO2 916966758 UBXTYGFLYSIHCK-AWEZNQCLSA-N 441.421 0.950 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3C(=O)CSC3=O)CC2)cc1 918336269 OEGXPJMYMMFCGQ-UHFFFAOYSA-N 436.515 0.771 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2=O)cc1 1116029945 CGEGGIVFOPSQMO-SJLPKXTDSA-N 434.518 0.516 30 20 ICED C=CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1116350100 SJDFXFBWFPNQER-HUUCEWRRSA-N 430.552 0.165 30 20 ICED COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1301342475 MPIJAPUTVSFLSL-MRXNPFEDSA-N 434.522 0.751 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1301799745 KQVWFZLZBKEJQW-MRXNPFEDSA-N 438.554 0.705 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1315018989 XTXLRIUSQVWRON-SFHVURJKSA-N 436.476 0.462 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC(N)=O)CC1 1330108162 KYFZHQAVMLXROY-MRXNPFEDSA-N 436.534 0.633 30 20 ICED NC(=O)CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCOc2ccccc21 1436267789 NOUMIXOFFRDWJW-MRXNPFEDSA-N 442.497 0.953 30 20 ICED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cnc21 1464291465 LRVOUXWJFDPOJH-UHFFFAOYSA-N 444.448 0.556 30 20 ICED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547730528 NGHHLEFMTDVSEY-CSODHUTKSA-N 432.548 0.945 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1559453152 QCANHHASVTYAJW-KRWDZBQOSA-N 448.545 0.873 30 20 ICED Cn1nnc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 1659433221 SSBLTCQIFKENGQ-UHFFFAOYSA-N 446.514 0.535 30 20 ICED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1691368208 PNYXAFWXWNTNRB-HNNXBMFYSA-N 426.543 0.512 30 20 ICED C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1693755575 QVKRDIOWVYARKA-VQHPVUNQSA-N 431.541 0.846 30 20 ICED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(=O)(=O)CC 1696331510 UXQRJOGKMBGAEV-UHFFFAOYSA-N 448.553 0.347 30 20 ICED CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698307894 LYFADOXMIGEPSB-MRXNPFEDSA-N 431.522 0.420 30 20 ICED C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1724023843 QZNLLBAKGCTXFG-HXUWFJFHSA-N 447.446 0.812 30 20 ICED Cc1ccoc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1761635581 QHBQOZRAPFYELV-GDBMZVCRSA-N 436.494 0.290 30 20 ICED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1768811533 RHTGTZAERCYNMM-QGZVFWFLSA-N 432.506 0.718 30 20 ICED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1768888834 JCWGNRAYZCRWHQ-HNNXBMFYSA-N 447.517 0.622 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccnc2)C1 1771360964 IJMBKYKWKCYXQV-APWZRJJASA-N 449.512 0.691 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 1778373562 KKKBJZGZXDRQEF-JOCHJYFZSA-N 443.504 0.711 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102986 LKLMFOFXJLVGDV-WFIYKGMKSA-N 447.448 0.147 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780236110 NEQAOJQUGKYIOW-LHSJRXKWSA-N 445.428 0.805 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)ccc1F 1781295472 XFRZHFHYVCYDBJ-NRFANRHFSA-N 430.436 0.522 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)ccc1F 1781300691 ZHBWIMAIYAVLLE-RXVVDRJESA-N 449.504 0.647 30 20 ICED CC(=O)N[C@@](C)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1F 1783565670 OSPOMLZOVLFMBQ-FGZHOGPDSA-N 445.447 0.095 30 20 ICED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCO2 1783921211 LLNYKKPZMXINGU-BTYIYWSLSA-N 439.509 0.849 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)n1ccnc1 1784257279 DALGLBBFOKNAOR-WKCCTLKOSA-N 433.509 0.953 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1784454130 YXNKWJMOHBPQDP-FHWLQOOXSA-N 433.530 0.781 30 20 ICED C#CCO[C@H](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 1784481720 VYRYIFIKRDVGHF-HLXURNFRSA-N 434.533 0.984 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1784483187 NZZZLYXHXQKZMH-NTPMHYTDSA-N 440.544 0.401 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)C[C@@H]21 1786362572 YCRDXEPGHPIOBJ-WDSOQIARSA-N 438.484 0.495 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939082 JAJKVXDSTRKYJQ-UGUYLWEFSA-N 429.481 0.519 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)no1 1788656978 UTDGHUCZPFLHIJ-JLSFHGIFSA-N 435.481 0.429 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc[n+]([O-])cc5)[C@H]4C3)c2c1 1789097918 FTUYPDXFXCXDSC-QRFRQXIXSA-N 446.467 0.975 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1791279592 PFQSEVLGZLLVRE-KEXUJGGDSA-N 443.500 0.696 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1791333699 WYSOPKRSFWBOAZ-ACTFIFLWSA-N 437.537 0.914 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1792145252 FFJBCAGLACOCEP-BXWFABGCSA-N 437.456 0.726 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1OC 1792400564 CKIIAKBKHFWKFY-PXAQZEHQSA-N 448.907 0.805 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793663241 XRDUEEFXDCAGHE-CXHZTBPHSA-N 447.561 0.804 30 20 ICED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O)c1cccs1 1794358560 IIQQMZZRJRDXTC-GYVFYAIOSA-N 443.481 0.789 30 20 ICED CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798444292 FHCSYAVBZHQGGZ-ZNLWLASDSA-N 425.555 0.638 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)ccc1F 1799325573 MIQXXVICFAORAH-BBIADKPPSA-N 444.507 0.552 30 20 ICED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801993364 RFJGCQBNKSHDFE-QKPAOTATSA-N 431.489 0.970 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)cc1 1804191297 ZZHUMUNMWFTKHY-NQIIRXRSSA-N 446.467 0.825 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804370343 HXYFIDIRIPPPIN-IIBYNOLFSA-N 435.440 0.000 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1807509794 VROMWHBAHCBAEP-KGPYNAKISA-N 436.516 0.922 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1810337884 PFDNBDFLYVTZIW-CEXWTWQISA-N 442.472 0.886 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1815062437 KSPVZRADCMGFBZ-XBTPRCGFSA-N 432.506 0.360 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815595154 NVLICPOXZATVIL-HNNXBMFYSA-N 432.481 0.936 30 20 ICED O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828911300 GVKNDZWPWTVSIR-WORIPGKHSA-N 446.552 0.630 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)C3)C2)C1 1829668122 HEBSVYJGUZOKET-AGKSTNPPSA-N 436.534 0.211 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1829764890 BSLWTTVCXFWQFO-IOOHMRRSSA-N 430.505 0.262 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830053587 YRCADRSQGGMSKS-OAHLLOKOSA-N 439.362 0.348 30 20 ICED CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1C(=O)O 1830054000 AIVYCRDZXNDMMS-OAQYLSRUSA-N 447.492 0.782 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1830644742 WZFLFEKNDVLSFD-QFIPXVFZSA-N 446.504 0.786 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1831390927 AHVQWROWBNIANA-VGOFRKELSA-N 430.505 0.256 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831425441 ULGJRMDHMPTRKR-IIBYNOLFSA-N 429.477 0.390 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1831426441 LUUHJJUFEQPWEX-HTAPYJJXSA-N 428.489 0.995 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)c1 1831610305 YPDKHQGNBSWYTE-NYHFZMIOSA-N 444.488 0.148 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832730012 SDUKMLBTIOBOOG-HTAPYJJXSA-N 430.505 0.480 30 20 ICED COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1O 1833189813 XNSKUTFFCFMSME-UHFFFAOYSA-N 443.500 0.603 30 20 ICED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1833707375 VFHCTPVUBSEJCF-HXUWFJFHSA-N 430.440 0.451 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1835185138 IGXLJMIXPILXKV-NRFANRHFSA-N 449.529 0.529 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441009 NWSKEHVELKSVMY-AZUAARDMSA-N 429.583 0.120 30 20 ICED CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C(C)(C)C#N)CC3)CC2)CC1 1835510215 HYJJGVORVQQKID-UHFFFAOYSA-N 446.596 0.272 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652333 XTAXJUZUQXKPKS-LIRRHRJNSA-N 428.555 0.033 30 20 ICED N#CCc1ccc(C(=O)N2CCC(N3CCC(NC(=O)COCCO)CC3)CC2)cc1 1836410658 LKIPBMUPOTYVDB-UHFFFAOYSA-N 428.533 0.947 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1837398952 LDIRXRORCJPJOR-XMSQKQJNSA-N 434.537 0.626 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837442056 MXOPCGTVHDSUTO-OKFCBPFISA-N 435.550 0.614 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524588 JVQUMDDNAHKZSE-YRPGDMADSA-N 435.481 0.019 30 20 ICED CC(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525285 LNCYZCPNQYYOLN-KVQDXKSSSA-N 427.498 0.397 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3SC)CCO2)C1 1838280512 MFHQBWWHOMVRKW-IIBYNOLFSA-N 433.530 0.912 30 20 ICED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1)n1cnnn1 1838551431 VTPJQPHDEQSMBQ-CQSZACIVSA-N 426.481 0.746 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](CN)c4ccccc4)C3)C2)c1 1838735885 ABTSAPKEYCUMCQ-XXBNENTESA-N 437.500 0.699 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950809 GCUOZWFIHHXUEV-ZHRRBRCNSA-N 428.489 0.495 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1C 1838951906 OSJKUJRCHPIKMA-QFIPXVFZSA-N 439.472 0.684 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1839175247 WZQYAHLWFOIMJL-QFIPXVFZSA-N 448.520 0.562 30 20 ICED COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185984 UVXNRRLTYYNPAO-ZHRRBRCNSA-N 433.480 0.979 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CCO3)C2)CC1 1839413671 MVSDKRPWKDYBMW-HXUWFJFHSA-N 430.417 0.674 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419664 OLZLWEJYDQCEJI-QFIPXVFZSA-N 446.479 0.636 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839715212 MKRVLAAMYQJVQO-GWJNGDFSSA-N 432.525 0.120 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839880298 LUINMNMMWGXXQB-QKKBWIMNSA-N 432.452 0.292 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839890155 KOJHPYXFTWOCRK-RHSMWYFYSA-N 436.477 0.231 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1)C(F)(F)F 1839892901 JHXBNXLKSURPER-KBXCAEBGSA-N 435.443 0.866 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1)C(F)(F)F 1839894598 HTCWUBYJGRXYPU-MRXNPFEDSA-N 438.472 0.045 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840043623 KMKQHSVHAPYLDZ-HXUWFJFHSA-N 431.832 0.370 30 20 ICED COc1cccc(Cl)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044843 AHWIFIMEZDRFDK-HXUWFJFHSA-N 436.848 0.507 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840159721 LOMCRWVCZUABTE-RNODOKPDSA-N 434.518 0.355 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840428521 NQYHBGNPCMQZNK-VGOFRKELSA-N 428.489 0.999 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875086 CBCJEASTNZULTC-AUSIDOKSSA-N 434.533 0.568 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CS(C)(=O)=O)C2)N(C(=O)OC(C)(C)C)C1 1842780480 MCZVNIYRSBAUNC-HNNXBMFYSA-N 441.550 0.800 30 20 ICED CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846954224 DJCFYFATPLCMRF-ZDUSSCGKSA-N 425.507 0.534 30 20 ICED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847041141 KHJRVAFQGINLBE-AWEZNQCLSA-N 434.493 0.950 30 20 ICED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)C(=O)C1 1847121830 OIEMWFUFWADCJI-UHFFFAOYSA-N 444.532 0.683 30 20 ICED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1[N+](=O)[O-] 16000079 YRAMJIKPEMKGRW-UHFFFAOYSA-N 432.462 0.813 30 20 ICED C[C@H]1CC[S@](=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433171993 CURMXVJRVJROCB-OLRZCDJHSA-N 438.575 0.234 30 20 ICED N#Cc1csc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3(C#N)CCC3)c2=O)c1 438864895 LFCSFWCZVVPDAR-UHFFFAOYSA-N 438.534 0.994 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 439836451 MPJSLOOTKXARRO-UHFFFAOYSA-N 448.911 0.883 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 461676238 QLRDJASESHRNNO-UHFFFAOYSA-N 430.490 0.641 30 20 ICED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)cc1 463684710 YQIRZXOZVGHIFK-UHFFFAOYSA-N 439.515 0.970 30 20 ICED COc1ccc(C[C@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1O 488187910 WATYXHQEOHEMHP-YOEHRIQHSA-N 447.513 0.907 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 491099738 GMYDOOAWCCCRDF-UHFFFAOYSA-N 429.521 0.440 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 499939420 OKWWQLGIALKKGW-GOSISDBHSA-N 445.545 0.110 30 20 ICED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCc1ccc2c(c1)OCO2 506943219 FSYYOJMYXUCLLC-UHFFFAOYSA-N 442.457 0.740 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(SC)c(OC)c2)c1=O 522278627 PPSAIGNEIQKXFD-UHFFFAOYSA-N 433.555 0.926 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](N4CCN(C(C)C)CC4)C3)CC2)o1 533308211 IXCWGKUCIOCVHP-LJQANCHMSA-N 429.569 0.604 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1S(C)(=O)=O 539584125 FVRGNQWTUQLDCH-NSHDSACASA-N 448.423 0.930 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)n(-c2ccc(C#N)cc2)n1 551181056 JMYLTBHBORWYKL-UHFFFAOYSA-N 434.460 1.300 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)c(F)c1 554158524 KHPLKPDWNTUBAX-KRWDZBQOSA-N 437.479 0.921 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)c1 555783502 KWHMUEZEHPGJBQ-OAQYLSRUSA-N 448.527 0.792 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 560011907 NMSIVKYOQSTEID-UHFFFAOYSA-N 430.486 0.961 30 20 ICED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 561858674 SUIAOYWFNOTCDE-HKUYNNGSSA-N 434.500 0.786 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2=O)cc1 573597269 UPMWWJUXIQDUPX-MRXNPFEDSA-N 437.422 0.482 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 574930079 HREDCUGIIHONLR-IBGZPJMESA-N 428.514 0.854 30 20 ICED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 580337149 OVVVUOUQHWYVNM-INIZCTEOSA-N 427.505 0.133 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCCN(CC(C)C)C3)CC2)c1C#N 580373508 ANXPLQATAGABKO-GOSISDBHSA-N 429.569 0.733 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 581135322 DXIFJUCDIUIWDD-NRFANRHFSA-N 441.576 0.386 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)o1 588108405 KQCYOJNFMHAFGI-UHFFFAOYSA-N 426.432 0.755 30 20 ICED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC[C@H]1C 588871221 ODOTUMAAHYKREQ-JTDSTZFVSA-N 439.516 0.681 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 609086195 ZKTIQYGNPSFUBG-UHFFFAOYSA-N 449.414 0.391 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1=O 677592888 CSCJREIALFHBIX-INIZCTEOSA-N 434.880 0.494 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)cc1 727814721 XAXJBHGKBCKJIB-UHFFFAOYSA-N 436.518 0.978 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)CC1 728535645 BVLOOASJEQRIPI-UHFFFAOYSA-N 434.562 0.533 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 732946203 PNYWXHBEJVZCBL-UHFFFAOYSA-N 449.501 0.854 30 20 ICED C#CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 741538290 CZDQKYCFMMBVKI-UHFFFAOYSA-N 428.514 0.975 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)cc(C)c2)c1=O 742530922 HYFNGRMXFZVJKB-MRXNPFEDSA-N 429.542 0.827 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2cccn2C)C1=O 743736219 LTJLVUJPCBHLRH-BWORXHKJSA-N 449.558 0.809 30 20 ICED Cn1cc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1C(N)=O 748485369 DGKIGJNKRUDVSP-UHFFFAOYSA-N 438.487 0.320 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCOC1 749868454 IAABZCUFMSALLQ-HNNXBMFYSA-N 429.546 0.753 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1C#N 752405897 UBDFSZVWKISXDQ-UHFFFAOYSA-N 439.432 0.674 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCOCC)c2=O)cn1 772305469 ZKNWCXGOZJRKBR-UHFFFAOYSA-N 445.570 0.322 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CCO)c1 779522405 UFLLZYKYHGCBOT-FXBPSFAMSA-N 440.522 0.031 30 20 ICED C=C[C@@](C)(CCOC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 782441609 ZKPHHFQXTYZSIS-IBGZPJMESA-N 443.522 0.896 30 20 ICED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 784833947 VDLWLEAGDMBBQS-KRWDZBQOSA-N 446.533 0.952 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)c1 784913051 YRTFGDNSHSZBJP-ZDHNHOGNSA-N 440.547 0.374 30 20 ICED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C 786573343 XEVIHXHKUCAUAG-GFCCVEGCSA-N 441.394 0.858 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O 788387246 NGOIFBXZIUPLHM-GOSISDBHSA-N 431.518 0.780 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C(N)=O)ccc3OC)cc2C1=O 802887772 IVCFLILCBOEXNR-UHFFFAOYSA-N 443.437 0.695 30 20 ICED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 807372694 MQXJJXRKBSIPQX-OAHLLOKOSA-N 429.502 0.768 30 20 ICED N#CC1(OCCOC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCOCC1 809086233 FYJMVWNIWLLSSE-UHFFFAOYSA-N 429.520 0.998 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)c(C(F)F)n1 812279793 TXDMUYLGWOQKSL-UHFFFAOYSA-N 437.472 0.575 30 20 ICED COC[C@H](C)[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812622411 HBKXZZSPEHZUIP-HOTGVXAUSA-N 437.518 0.853 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCCCC1 914651862 CLQCFAMDEZHDOQ-RRFJBIMHSA-N 425.507 0.296 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC 917769259 YXSHDJGJMSERCG-UHFFFAOYSA-N 431.562 0.927 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ncccc2C(F)(F)F)c1=O 1116421727 BKRVJKMNIMRVPI-UHFFFAOYSA-N 436.415 0.222 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(CC#N)CC1 1319990608 PLIRDSYGBMOLDR-QGZVFWFLSA-N 427.548 0.920 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(F)c(OC)c3)c2=O)cn1 1320167852 ZRGSMFHMNSQRFL-UHFFFAOYSA-N 427.461 0.512 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)OC)ccc2c1=O 1336156133 AZPDKUDEVUQZNJ-CQSZACIVSA-N 437.499 0.283 30 20 ICED CNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1338998923 MPXUUNXXRYNCJQ-IBGZPJMESA-N 426.498 0.926 30 20 ICED CC(C)[C@@]1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 1343483941 IOWPNTVXRSLMIX-NRFANRHFSA-N 434.562 0.732 30 20 ICED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1504582808 QQXUPJOHRKWCRM-QGZVFWFLSA-N 434.522 0.560 30 20 ICED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1=O 1515885057 MABZRCFYSVQZFL-UHFFFAOYSA-N 437.504 0.734 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1518214390 XCKPJTCUZKLDFE-IBGZPJMESA-N 440.504 0.659 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c(=O)nc1O 1563825757 INIJLOQSTRCIHC-QGZVFWFLSA-N 430.440 0.332 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1696502847 WGBOCCIIXYXWFP-CQSZACIVSA-N 431.522 0.423 30 20 ICED CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1711001834 LBYYSZRCJXPKRA-VKJFTORMSA-N 440.595 0.346 30 20 ICED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1712692225 OGSZHQAIRJAZOG-QGZVFWFLSA-N 428.518 0.966 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1726447128 WVHZNBSWSAIPBO-OAHLLOKOSA-N 437.504 0.766 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1750991252 WZEROQDCUDOKTO-UHFFFAOYSA-N 425.493 0.636 30 20 ICED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1767515979 SPAFGDGHXHDOBD-IERDGZPVSA-N 425.493 0.107 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cn1 1778209178 GMDFFIQCFIOOON-IIBYNOLFSA-N 429.429 0.084 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2nccn2)C3)c1 1780091323 BYOSECRXAFWROR-DENIHFKCSA-N 438.488 0.986 30 20 ICED O=C(/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)c1cccs1 1780247747 LSBCADXLRFXSCX-WUUFJKRQSA-N 428.470 0.714 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)ccc1F 1781295213 KNDSOVGEZDQAFG-QFIPXVFZSA-N 440.431 0.783 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299785 YYDAEQDAAAVACK-AVRDEDQJSA-N 428.464 0.691 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782849940 JVRMAXRGNIQCIF-ZMZPIMSZSA-N 440.378 0.061 30 20 ICED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)[C@H]2C1 1783844580 PLBAGLDEWWWKRU-KQGMHSTHSA-N 429.517 0.722 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381988 RFODFPFYRVHUCC-XSLAGTTESA-N 435.521 0.265 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1785574231 CBMSJYHXTFTWHE-JLHGSKIFSA-N 436.553 0.731 30 20 ICED O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788137713 QVDNEJLAJUIHBA-FHWLQOOXSA-N 447.532 0.507 30 20 ICED Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)c2ccccc21 1788138211 FRJYCCLGRAKLEK-BXWFABGCSA-N 425.489 0.623 30 20 ICED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1792172741 KPCFAZLVCJWBOT-VDGAXYAQSA-N 428.485 0.842 30 20 ICED COc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794028253 CUBLSRGJLZGURJ-UPHUGPLXSA-N 443.548 0.894 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1797744133 PLVDHCGCKATRHL-LHUDAYIPSA-N 430.509 0.341 30 20 ICED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465996 ZBCWWJDMBABLLT-BCDXTJNWSA-N 427.501 0.638 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800284957 KCNGCYXRHYRRPG-YWVIFJGQSA-N 440.403 0.558 30 20 ICED CSC[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 1801992042 HEQYTJVLEHUIHR-XGUBFFRZSA-N 439.534 0.969 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802116049 XVZPRECTRPVETO-RDPOXOKHSA-N 429.517 0.906 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O)c1ccc(O)cc1 1802164775 MXOLWZZZKRNXPO-PZTGFMGMSA-N 428.489 0.147 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1803555592 XTSRKZNQVZKLKX-WFXMLNOXSA-N 431.537 0.663 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCC(=O)N2CCCC2)[C@@H]1c1cccnc1 1804152779 IZMSBTAGRJMSGA-VGSWGCGISA-N 426.473 0.578 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)C1 1806027070 IJOGYTSXHXCNFI-IBGZPJMESA-N 434.581 0.973 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175704 UZATVDDJWYOCBB-XGHQBKJUSA-N 440.500 0.586 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1(O)CCCCC1)CC2 1814919718 JYZWHHAWFHJBTG-CQSZACIVSA-N 444.561 0.594 30 20 ICED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816673755 HFHVXXAFXLZXLJ-ZJUUUORDSA-N 428.478 0.707 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817812950 LKZXTIOEFWEWLD-SMDDNHRTSA-N 441.452 0.433 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1824459120 JDLLLPQQNBOXGH-ZHALLVOQSA-N 441.594 0.972 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1829773592 NZIRLZBHEBHRAX-WHBFPRCOSA-N 445.520 0.067 30 20 ICED Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1830916545 RAKYMWNGHNMSRD-DGEAWOGYSA-N 443.548 0.861 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831396773 QSJGEZJLRLMISC-LIRRHRJNSA-N 426.420 0.387 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1831397280 WQPUKXJEOUEFAU-ZHRRBRCNSA-N 432.521 0.816 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831406415 NLBJSZUCLJORLT-QFIPXVFZSA-N 439.553 0.148 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1831419413 MYQGJXGSJMKJOU-HRAATJIYSA-N 426.510 0.766 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831487994 UQEUREOEQVBHOE-FXAWDEMLSA-N 433.534 0.754 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1831492296 JJGCBHZXFNHTRI-XAUMDUMWSA-N 437.566 0.688 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1)C(C)C 1831493488 SHRUJNVJCWXUIA-ABSDTBQOSA-N 430.567 0.985 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C(F)(F)F 1831697257 SALYPVUHYJLHPL-GOSISDBHSA-N 435.443 0.724 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1832456692 VTEXNBJTLRJHQN-FQEVSTJZSA-N 431.518 0.719 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1833086946 GWUJXYHNZXCRDQ-XWRADEMYSA-N 432.525 0.120 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)CC)CC2)CC1 1833472859 JJHWNMYGUAYHTH-MRXNPFEDSA-N 429.583 0.584 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834359728 FCIKDCXIXUBZQF-NRFANRHFSA-N 435.452 0.800 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465748 PLYNUQQMJFEOQP-AUEQCNTHSA-N 438.506 0.742 30 20 ICED CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)C5(C#N)CC5)CC4)CC3)CC2)CC1 1834600784 BBJUIPPPGQVBOA-UHFFFAOYSA-N 442.608 0.642 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767495 JSNGIFBJTOOZMX-NRVIRDBHSA-N 448.520 0.754 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccncn3)CC2)CC1 1835145609 YHBKWTUJMIGFBN-UHFFFAOYSA-N 427.553 0.944 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4nccnc4c3)CC2)CC1 1835402318 HEQUNWFJYOMASO-UHFFFAOYSA-N 435.484 0.903 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835827534 RSOFIRRZKIQJMG-RXVVDRJESA-N 434.562 0.847 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)c1 1836873090 UJGCZTZSEOZKEO-OAQYLSRUSA-N 435.444 0.313 30 20 ICED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837441064 PIMAUAVBZODXLN-MHRHTVJOSA-N 446.508 0.154 30 20 ICED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)c1ccccc1 1837441707 AETORDRCYFCZJC-GVFUYMABSA-N 442.516 0.797 30 20 ICED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837560103 PDBKHYPMZGGRCS-FFCJBUTOSA-N 429.477 0.360 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CSCSC1)CCO2 1837573797 FHEMHPOQTBORSH-KEYYUXOJSA-N 435.637 0.804 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838426218 RTHMCYFJFLYEGR-XMSQKQJNSA-N 443.504 0.372 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1Cl 1838596160 RSCNCZCZGHXWCZ-IIBYNOLFSA-N 446.891 0.560 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)cc1 1839362370 NTBPVERFEPUEKJ-HSZRJFAPSA-N 440.500 0.445 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1ccnn1 1839363873 ZIAIUKKKJPVUBG-JTSKRJEESA-N 438.488 0.675 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1)C(F)(F)F 1839895201 PLHXTRIFRXEMKT-SFHVURJKSA-N 429.395 0.783 30 20 ICED CC1(C)Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2O1 1840042086 ZDGZHHXMNKVEQX-QHCPKHFHSA-N 442.468 0.558 30 20 ICED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1840368219 BGFPAYKVGXSXBL-UKKLRFBMSA-N 433.509 0.454 30 20 ICED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819230 XIAYKBNDAUYGHN-XMSQKQJNSA-N 430.505 0.391 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845768849 SXANYLSEZLSHSO-INIZCTEOSA-N 443.504 0.363 30 20 ICED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)c1ccccc1 1846033982 MKWKNUVFZJSYMS-NRFANRHFSA-N 427.545 0.674 30 20 ICED N#Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 61921895 USTBMQYOIKBPBQ-UHFFFAOYSA-N 428.518 0.904 30 20 ICED CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2)CC1 427367225 ROYJDYBXFLKXKF-LJQANCHMSA-N 449.515 0.877 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 437998428 HGNXPSRQOWETPL-XJKSGUPXSA-N 426.495 0.376 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 439391438 YOEIWMKBLCRZKR-UHFFFAOYSA-N 440.548 0.502 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@@]23CCOC3)CC1 441344339 DVNVSKAFBMDADG-NRFANRHFSA-N 427.461 0.946 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 447133783 RNCDTUDLRXLQOO-ZDUSSCGKSA-N 428.898 0.755 30 20 ICED N#C[C@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)N1Cc1ccccc1 463961720 BWDDFEYXQKGVIN-FXELSEDVSA-N 437.500 0.522 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1cccs1 476203186 OCCCQTLMGKXLTN-UHFFFAOYSA-N 426.523 0.680 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 480187820 CJGXMIHJXLDCJR-ZFWWWQNUSA-N 428.536 0.155 30 20 ICED COCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 481974076 MCKQROWBIKGADC-MRXNPFEDSA-N 443.547 0.231 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 484009069 GCPXDXPDUJPQEC-IRXDYDNUSA-N 444.536 0.080 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)[C@@H]2CCOC2)cc1 485174429 QLCHZJKKOXOIAV-HUUCEWRRSA-N 425.507 0.193 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 490800691 ZABOBSKITCQULG-UHFFFAOYSA-N 433.428 0.714 30 20 ICED CCOC(=O)c1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N 499468716 FILQQNLPQWJQOJ-UHFFFAOYSA-N 431.474 0.465 30 20 ICED C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508475444 ZSXHSIWAUYLNEU-AWEZNQCLSA-N 442.476 0.304 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 509412743 DDEVBDMUIXTGLW-HNNXBMFYSA-N 430.552 0.417 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnnc2-c2ccccn2)CC1 520293825 RXBNJHBNNGVBTO-UHFFFAOYSA-N 438.473 0.140 30 20 ICED CN1CCN(CC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 520311013 YOYFUKRCXLVYDW-UHFFFAOYSA-N 433.578 0.978 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)ccc2C)c1=O 523744534 YVCADNKKBKHCKV-UHFFFAOYSA-N 429.542 0.829 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 524196585 QREIFZDHQCNUTO-UHFFFAOYSA-N 444.532 0.329 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1CC(N)=O 532286865 KUUWYTQHSCSDLG-UHFFFAOYSA-N 440.569 0.869 30 20 ICED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 539518014 XMKDMNQVSOIZLH-UHFFFAOYSA-N 425.474 0.299 30 20 ICED COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2=O)c1 552801329 CVDIRBGBNIADDO-QGZVFWFLSA-N 448.483 0.532 30 20 ICED COc1cc(OC)c2ncc(C#N)c(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)c2c1 553201739 MKHPGKDFFILSII-UHFFFAOYSA-N 437.460 0.590 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3ncc(C(=O)OCC)s3)CC2)CC1 553327060 LSQZWHIMLODDPO-UHFFFAOYSA-N 435.550 0.735 30 20 ICED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 555985159 JJFSBJCMYHOABI-UHFFFAOYSA-N 433.468 0.405 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 557311121 QBZNNAUQXYJFNC-UHFFFAOYSA-N 443.548 0.856 30 20 ICED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 561288442 LHAMXBZDZCZNEQ-UHFFFAOYSA-N 436.472 0.951 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2)nc1 561804664 JTRBZBZPDAHBRT-UHFFFAOYSA-N 425.449 0.620 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccsc1 565397370 NQTANHZRCJONED-UHFFFAOYSA-N 425.491 0.996 30 20 ICED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 574612618 XDXFGMLKFZJCIC-UHFFFAOYSA-N 448.526 0.330 30 20 ICED CCN(C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1)S(C)(=O)=O 575960423 JZSSQKIFHLJOKD-UHFFFAOYSA-N 445.505 0.350 30 20 ICED COC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 578430802 QBPHUOJGXXUXCY-UHFFFAOYSA-N 434.412 0.946 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 580224502 PFZWTJLUNSDJHW-FXAWDEMLSA-N 440.548 0.170 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC)CC1 728533756 SAVAYGRWUAKRDH-UHFFFAOYSA-N 440.504 0.148 30 20 ICED CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862585 HTFMVDWOTZQLKZ-VHEBQXMUSA-N 436.490 0.396 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831249 VZJGREVJYYVMJN-IUODEOHRSA-N 427.417 0.707 30 20 ICED C[C@H](CC(=O)OCCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745495242 FTVQMKFKUATWHC-GFCCVEGCSA-N 436.490 0.767 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cn1 746395553 VKBJAOURKPMLMQ-UHFFFAOYSA-N 435.488 0.469 30 20 ICED C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 749504996 XXHNRYHSJATIIK-UHFFFAOYSA-N 431.470 0.675 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCCn2nc3n(c2=O)CCCC3)C1 758393268 VODUUSVFXFSYIR-GJZGRUSLSA-N 433.513 0.829 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)CC1 761226565 NIINGVSOVQPNIR-UHFFFAOYSA-N 429.473 0.369 30 20 ICED COC(C)(C)CCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 764321785 NZUBHMAIRATOKS-GFCCVEGCSA-N 431.536 0.765 30 20 ICED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 769847633 XEJGHLYUZRUVPR-QGZVFWFLSA-N 427.438 0.850 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCN(CCc3ccc(F)cc3)CC2)c(=O)n(C)c1=O 771892905 WAHUTQHKPFUILG-UHFFFAOYSA-N 437.497 0.196 30 20 ICED CCCCCCn1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(O)nc1=O 772649355 LTJCSAHFWRDYDM-BMRADRMJSA-N 439.494 0.334 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)cn1C 774231894 QFTLRVSJQPZPHF-UHFFFAOYSA-N 427.483 0.453 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 782904987 JZYACZVAIUEKBM-UHFFFAOYSA-N 431.884 0.934 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 784921269 WWXQPNYAXDQXNY-UHFFFAOYSA-N 425.894 0.924 30 20 ICED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O 788390011 YUGUOFXPDIAAQZ-YLJYHZDGSA-N 431.518 0.783 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 794579398 WPXMPPWOZOZGSY-CQSZACIVSA-N 427.482 0.709 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646607 ZILIEJJQVQSEPJ-UHFFFAOYSA-N 435.484 0.897 30 20 ICED C=CCN1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1=O 798571200 ZIHQLKCRYNIMRI-GOSISDBHSA-N 435.502 0.483 30 20 ICED C=CCN1CC[C@H](OC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCOC)C1=O 798584320 NVXDTARQZHRRFL-HTAPYJJXSA-N 427.457 0.942 30 20 ICED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 801289075 YPLNHQQGYKQRNX-UHFFFAOYSA-N 437.504 0.875 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 803562249 RXOUDOYPKFCRGT-HOTGVXAUSA-N 447.561 0.315 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 810775739 RUVSIEAXJOWNCZ-UHFFFAOYSA-N 430.412 0.829 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCOC1 814250763 YVGMOBUZEQDKSG-GFCCVEGCSA-N 449.483 0.190 30 20 ICED CC(=O)Nc1ccc(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821739899 RMHWGQXZXANRJQ-UHFFFAOYSA-N 430.442 0.865 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 831763899 OHIMKGWODNUCMI-UHFFFAOYSA-N 430.442 0.977 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 916198274 JBGHRWXWKFHVOS-UHFFFAOYSA-N 428.514 0.542 30 20 ICED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)CC1 920398361 VLJBHZIMGSDFCK-UHFFFAOYSA-N 428.539 0.607 30 20 ICED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1117104756 DVIVQEOUWLMCHB-OAHLLOKOSA-N 438.531 0.517 30 20 ICED COC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1117350383 YPVZPBCIINXPKW-IAGOWNOFSA-N 434.518 0.322 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1nncn1C 1303402716 ODJQHZOJEPBYGL-UHFFFAOYSA-N 434.508 0.791 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 1344641508 KSSICGXTRIYPBR-AWEZNQCLSA-N 446.599 0.469 30 20 ICED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1503808870 MLVBPIDOGWXNTD-UHFFFAOYSA-N 431.522 0.425 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1516029664 YFQSTQZGHYTHDH-QZTJIDSGSA-N 448.549 0.996 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC(=O)N1C 1612977994 KBNYCNOIPMYXRO-AOMKIAJQSA-N 439.520 0.462 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1616263966 SMROURMAQZKWOR-UWJYYQICSA-N 434.541 0.770 30 20 ICED CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617327368 BVVBNVQUHIFWBV-INIZCTEOSA-N 435.554 0.012 30 20 ICED CNC(=O)c1cc(O[C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)ccn1 1643648438 ZZSOGPXORQTUQY-FPOVZHCZSA-N 442.564 0.977 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1692541824 WLVUMUDQOFMLSB-AEFFLSMTSA-N 430.557 0.314 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1710346458 LCIWGIGLKOIGNA-QGZVFWFLSA-N 441.521 0.512 30 20 ICED CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1750750698 YWOMURXCSBNEBJ-UHFFFAOYSA-N 438.536 0.929 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1760301335 YITMSMHUWVMSHQ-YGRLFVJLSA-N 435.348 0.499 30 20 ICED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1768931445 KWEMPUHSIUGVJF-QGZVFWFLSA-N 446.533 0.642 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1769244350 SSVDJGIOFFHVCG-RDJZCZTQSA-N 444.517 0.203 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)C1 1770343817 OUECNSALCGHMSO-SJORKVTESA-N 431.522 0.274 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778414845 GGXKZBXPCWGSDL-NWKSEYAWSA-N 442.476 0.930 30 20 ICED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1781199067 SQAQEXYBOYWZCS-NRFANRHFSA-N 436.509 0.661 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](CCN(C)C)(Cc1ccccc1)C(=O)O)CCO2 1783055495 WJUDIIGTXVXPMY-ZEQRLZLVSA-N 441.528 0.715 30 20 ICED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1783170215 KLZDKOPWNPHCTD-AQOAWAETSA-N 427.505 0.522 30 20 ICED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccccc4=O)C[C@@H]32)cc1 1783603724 SACREBVWJPDHBU-ACRUOGEOSA-N 434.496 0.942 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983093 VNTIIIGRPHDYBV-IBGZPJMESA-N 445.438 0.193 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCC(=O)OC)C2)C1 1784042918 HANNUEVOBAGHLX-MZMPXXGTSA-N 435.521 0.798 30 20 ICED 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 1784100394 NDJCNYHPJWXRAZ-VGWMRTNUSA-N 437.493 0.215 30 20 ICED COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857271 JFHFSXSFUKKZRC-SZMVWBNQSA-N 429.521 0.965 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1787412308 ALJRVMFOLDQYQA-BMFAXAFESA-N 443.504 0.364 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788603790 UFVNZHJNIFLGPH-UCSHJDKJSA-N 440.566 0.015 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CSCSC1)C2 1793344332 LOJPIQYDDPNJLK-BPKGMFCQSA-N 427.592 0.657 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)=NO2)C1 1795083745 JSECOFGXYQCHEZ-XOIINTDNSA-N 447.492 0.255 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1795597717 XLHVLUZTJQAQJQ-YWVIFJGQSA-N 435.912 0.926 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796026674 KEPNIIXZGWSEKZ-YVSFHVDLSA-N 446.552 0.381 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2c1C 1796844562 RFKQVKBKKXLPAZ-TXFQXBMRSA-N 437.500 0.704 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nonc2c1 1796885008 RDFDYYPBXRJDCH-CCWDJLKJSA-N 428.445 0.935 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797780572 CMJNRPGRTDFWSI-FEJSZKPUSA-N 441.528 0.921 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797782749 PCXIODQMXCTSBS-OPVJXMOQSA-N 437.500 0.860 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810277 OHTURHZXACWABZ-MBJWIZQDSA-N 433.509 0.769 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 1798356986 KEJMYCOWZFASEH-YWVIFJGQSA-N 438.419 0.103 30 20 ICED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C/N=C/c2ccco2)c(=O)nc1O 1798521883 LWBZIBYMDCFYQV-HEGYHEIJSA-N 427.461 0.608 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589371 HGOZMKTUIXYWBX-ZSBFGKGUSA-N 439.921 0.850 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2ccnn2)C3)c(C#N)c1 1799239386 AIFUXPVNFIZCAY-WMIGDMCZSA-N 438.488 0.552 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800242945 AUVXKLOUAAJJCY-RMYQPGKMSA-N 428.533 0.564 30 20 ICED CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)C2 1800324353 CNGWMKMYAFLFLV-ZXFNITATSA-N 429.477 0.125 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C[C@H]3NC(=O)NC3=O)C4)c2c1 1800873344 CXDVOLCLNSHGAG-OQMKEHIESA-N 435.444 0.284 30 20 ICED C[C@H](S)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 1802298808 VUBPXYHYPMMUEZ-HPCHECBXSA-N 428.555 0.712 30 20 ICED CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)CC1 1809667248 YPXQPLJKHVGNPE-CTNGQTDRSA-N 440.548 0.801 30 20 ICED CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1)C(=O)O 1809835926 FMKPWMQMVIWOQH-SFHVURJKSA-N 433.549 0.979 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc3c2NC(=O)C3=O)[C@H]1c1cccnc1 1810027026 QXBZVIYWHKBJDT-JLTOFOAXSA-N 446.419 0.624 30 20 ICED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1811887874 RYGRLQQBMKCGSB-SVFBPWRDSA-N 434.500 0.866 30 20 ICED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815658197 VKPUSYUJFBPCKA-INIZCTEOSA-N 425.555 0.608 30 20 ICED O=C(C#Cc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816957462 RPCPXKXKFXXDGX-FQEVSTJZSA-N 439.516 0.740 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821712683 DZUAKVPUJPBGPO-OAHLLOKOSA-N 435.481 0.928 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)cc1 1822163950 IQJILULUBAUOQJ-QRWLVFNGSA-N 441.513 0.891 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826933356 LAQVSSQOAAFPDQ-HHPKLBNGSA-N 431.537 0.911 30 20 ICED CC(C)(C#N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1828514972 WRHRLNPMFWUDFM-JOCHJYFZSA-N 444.488 0.299 30 20 ICED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)c1ccccc1 1831207938 BIWZNNVVFBASPT-XMMPIXPASA-N 439.512 0.628 30 20 ICED CC#CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)c1ccccc1 1831275136 WSDSMSDBTBWNCW-GBXCKJPGSA-N 441.528 0.776 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831336885 HNSXNUAIMWYDDS-PXNSSMCTSA-N 428.551 0.646 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1831388314 WYULZVWVTGCGGP-IERDGZPVSA-N 435.908 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831425882 GLEUSDQUEOBIII-IIBYNOLFSA-N 432.477 0.068 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831490819 MCMMXNNXCQIBAE-XLIONFOSSA-N 433.534 0.754 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832717453 WWFGLASRZYPZLR-IIBYNOLFSA-N 435.908 0.772 30 20 ICED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)s1 1833024560 STDRHEUPEOHFHZ-FQEVSTJZSA-N 433.534 0.929 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3ccnc3)CC2)CC1 1833074511 SJLAVVPXXFYHEX-XDXAGZTOSA-N 442.564 0.874 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834109605 OAUNVSMMYKFZKR-OAQYLSRUSA-N 425.445 0.430 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1834161051 CCWMUSXYFJDJOI-XTSMJKTBSA-N 449.508 0.328 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncnc2)CCO3)ccc1F 1834308185 XWRICLDHIOFMBC-JOCHJYFZSA-N 439.447 0.800 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4nccnc4C(N)=O)CC3)CC2)CC1 1834601212 YZDLZUYSXKCQIB-UHFFFAOYSA-N 425.493 0.064 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1835261215 JQVKQGZOXIFGBR-HRAATJIYSA-N 449.529 0.428 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c(-n2nccn2)c1 1835359787 IMCWCFFKLLQDBM-JOCHJYFZSA-N 438.488 0.950 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CCc4nc(N)n[nH]4)CC3)CC2)CCC1 1835669612 PYIAQQZXGKFXPA-UHFFFAOYSA-N 428.541 0.585 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220132 BZDYZKOYVWSRQN-OLPVWXKPSA-N 425.482 0.151 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 1836688672 AYXSRVYHQFDFGI-JOCHJYFZSA-N 441.484 0.535 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1837394601 DSHHURFGWVKUAS-CVDCTZTESA-N 446.548 0.791 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Nc3ccccn3)CCO2)C1 1837737719 DCFIMXHXRXLFOH-HMFYCAOWSA-N 432.521 0.930 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1838197791 JCNHXHCCQAKROL-JOCHJYFZSA-N 427.505 0.911 30 20 ICED Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838818426 BQGSTHNLQLZYEV-JOCHJYFZSA-N 431.537 0.685 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1838906098 PXIPDNRSDLVLFG-OFNKIYASSA-N 435.484 0.723 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)C1 1838952019 WPTBYFMFOBZRRQ-NFBKMPQASA-N 426.517 0.970 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1839364142 OOMHCBFUHDSZBU-CVDCTZTESA-N 440.500 0.349 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839807387 XCGKZNNEIRLFBL-JLHGSKIFSA-N 433.505 0.545 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1)C(F)(F)F 1839891494 IGQSAVFHNHDRNV-GOSISDBHSA-N 435.443 0.868 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1839897170 CCBOEAAAYWVSPJ-NRFANRHFSA-N 427.457 0.581 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1840712515 LXHOSBRUGHBZKU-LZFQIVBZSA-N 442.472 0.492 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1840842060 KXMTUYATQUJXRE-QHCPKHFHSA-N 438.484 0.486 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840909472 SXIJWHALLWUTMQ-JTSKRJEESA-N 448.520 0.663 30 20 ICED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843323104 ZOFSWIWVVMUHCF-AWEZNQCLSA-N 439.534 0.924 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)COCCOCCOCCOC)C1 1846256869 FYPCIROFOSWSHL-GOSISDBHSA-N 442.553 0.459 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)C=C)C2 1847069660 PVXDOKNGNUKOJM-HOTGVXAUSA-N 432.521 0.797 30 20 ICED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 430414417 MTSSBSUVIAXVGB-VUMZAAJDSA-N 434.581 0.923 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS(=O)(=O)C1 433159587 MNOBVNZZPQTRCY-HNNXBMFYSA-N 447.517 0.821 30 20 ICED N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 438622990 MFMGNYKAYKUSTQ-HDYDNRTBSA-N 441.532 0.940 30 20 ICED CCOCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc(C#N)c2)c1=O 439875722 TWYGSVVGYPTCKW-UHFFFAOYSA-N 425.510 0.523 30 20 ICED CC(C)S(=O)(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 444327342 KVIIRJVZTCHFKH-UHFFFAOYSA-N 442.563 0.498 30 20 ICED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c(OC)c1 444503247 BYRWLWCKRKBJEP-UHFFFAOYSA-N 440.460 0.737 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1Cc1ccccn1 446801313 JUHQTNJFJJZGLM-HNNXBMFYSA-N 431.460 0.664 30 20 ICED COCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCCSC1 448423650 GWMUMMRAYKNDOI-KRWDZBQOSA-N 428.518 1.507 30 20 ICED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC 465195582 MXIZEJFFNSSJJD-CYBMUJFWSA-N 430.490 0.616 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 465407651 QUYXROAIMNFBOQ-CYBMUJFWSA-N 428.474 0.428 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nc3c(c(C#N)c1C#N)CCCCCC3)C2 480337098 RPRWCHPTJPQXTC-UHFFFAOYSA-N 434.504 0.951 30 20 ICED C=CCOC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 481761200 HZMVYBUNTSCGAW-SFHVURJKSA-N 439.534 0.162 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482157300 ODWVWAYOWIRUDW-QGZVFWFLSA-N 449.577 0.628 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 482192205 JZJHJOLLZZZKQY-HNNXBMFYSA-N 441.513 0.673 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 482406979 OGMZMUYVJIDUAN-CJNGLKHVSA-N 430.490 0.270 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)C2)nc1 488202185 NDRLYPGYKPCDSK-LJQANCHMSA-N 448.483 0.888 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)C1=O 500447088 KBEOIQXHZCPAGX-INIZCTEOSA-N 428.489 0.979 30 20 ICED C[C@H](CN1CCN(C)CC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521667559 PSKPAKGWQNIORE-QGZVFWFLSA-N 433.578 0.711 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 532800332 NYMKEVZWRLZOSM-UHFFFAOYSA-N 436.896 0.607 30 20 ICED COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533035384 VHIKNVCQCXRKNS-QFIPXVFZSA-N 440.504 0.841 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCCO2)c1=O 536086193 GDZQHJJWACOEJW-KRWDZBQOSA-N 441.557 0.774 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)c1 538035350 RXCHVUQWJQYJPJ-KRWDZBQOSA-N 446.467 0.446 30 20 ICED COC[C@@](C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)OC 543439803 UAPOMPRSUNKBFX-HXUWFJFHSA-N 431.449 0.623 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 551550216 GEKVQCSKTQZXEM-UHFFFAOYSA-N 429.521 0.202 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 556388534 RJTZBZFADPQYGW-UHFFFAOYSA-N 444.430 1.437 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 559143272 AQXMIHXWYKSEDR-UHFFFAOYSA-N 425.559 1.030 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)n(C)n1 565973663 PYVZIPKZLLLIRJ-MRXNPFEDSA-N 435.488 0.429 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 569162177 QYTKBAUZBLPJNL-QGZVFWFLSA-N 432.496 0.991 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 569973272 DZEVDHOOXCAQRP-AWEZNQCLSA-N 430.446 0.853 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)s1 609416854 TXMLZMYHEAPDRS-UHFFFAOYSA-N 446.598 0.897 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 671828857 LKTPAHNAOCWOFB-INIZCTEOSA-N 449.502 0.354 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)[C@@H]1CCOC1 733718841 HPWRZOIWRRTQEI-CYBMUJFWSA-N 429.520 0.520 30 20 ICED N#C[C@@H]1C(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)=CC(=O)n2c1nc1ccccc12 734838058 MBVMQPDAUTXQPR-SUMDDJOVSA-N 441.513 0.311 30 20 ICED CCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CCOC)c2)c1=O 743727479 CGSMYLMQMASSDE-UHFFFAOYSA-N 441.513 0.575 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 743881031 LOEHXDHBIXIJOD-UHFFFAOYSA-N 440.479 0.895 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2coc3ccccc23)c1=O 746597155 FPCARLWUGSXVOJ-UHFFFAOYSA-N 439.493 0.664 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 746814065 NGKPEYYOAFKMAF-OLIJMITPSA-N 449.533 0.552 30 20 ICED N#CCCN(C(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 753663384 IENMAGLFUQCKSW-INIZCTEOSA-N 446.485 0.642 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 755649205 KEGLHWXAQVYRHO-CQSZACIVSA-N 434.424 0.925 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cc(Br)c(O)nc2=O)[C@H](C#N)C1 757594481 QRUCZYKJHZCZOJ-MWLCHTKSSA-N 442.270 0.587 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)C[C@H](C)O1 766613135 SVSQDSHPITZFJH-HOTGVXAUSA-N 435.550 0.138 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)c1cc[nH]n1 770820703 DPGOKZIXIFOUGH-UHFFFAOYSA-N 427.414 0.843 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(Cl)cc2F)c1=O 782340187 QOWCPBSTHLHWNA-UHFFFAOYSA-N 433.892 0.991 30 20 ICED C[C@@H](CC(=O)OCc1cc(O)n2ncc(C#N)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 783903100 NKCSAACQPGGRHT-NSHDSACASA-N 440.441 0.867 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cc1 784911726 MAMGAIYCQUKGJT-ZDHNHOGNSA-N 440.547 0.374 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797675157 BFHVVWMAXCBPGA-WUKNDPDISA-N 434.478 0.514 30 20 ICED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1=O 799177139 ILHJKRQOTVGMQQ-KKSFZXQISA-N 429.477 0.212 30 20 ICED C#CCN1CCC[C@H]1C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@@H]1CCCN1CC#C 805201627 XAGXTZLFTLHTTE-GOTSBHOMSA-N 441.620 0.564 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806838814 OEGCHNFPATVNGP-SJORKVTESA-N 448.483 0.517 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 810780927 XJVUZPXUSNBOEJ-UHFFFAOYSA-N 426.516 0.759 30 20 ICED CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 819564073 NLRJPKQAMMMKEN-ZDUSSCGKSA-N 448.505 0.924 30 20 ICED Cn1ncc2c(N3CCN(C(=O)COC(=O)COc4ccc(C#N)cc4)CC3)ncnc21 827575169 MVQQELZMQDJPQR-UHFFFAOYSA-N 435.444 0.506 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 838243327 QYQLLZKAFOREAM-WMLDXEAASA-N 429.546 0.488 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 914994051 KEUCEEIIAMNDSX-UHFFFAOYSA-N 448.487 0.832 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 917770793 PXZDNXRFDMNRRA-UHFFFAOYSA-N 433.917 1.000 30 20 ICED CNC(=O)Cn1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 918634029 HKEGTZOIJTWYJW-HNNXBMFYSA-N 432.506 0.721 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCC3(CC2)OCCO3)c1 919019829 AYFNERINOPHUOS-UHFFFAOYSA-N 436.486 0.557 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919665370 ULNUAUUFIAEDCK-ZBFHGGJFSA-N 449.485 0.485 30 20 ICED COC(=O)C1CCN(C(=O)[C@@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(C)C)CC1 1116125287 SONBIFBVSLNDSZ-GHNGSUTGSA-N 435.477 0.882 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1288825766 LHSLVSWHRXFTNJ-WMLDXEAASA-N 441.533 0.195 30 20 ICED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1301809555 OAYQORFAWOLVPZ-CVEARBPZSA-N 442.542 0.156 30 20 ICED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1316366374 LYGXLHWGKGFRCB-FOGNVHKLSA-N 428.518 0.951 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1318423503 UPQXSNBVSCJWHS-XUTLUUPISA-N 446.552 0.537 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCOC1 1360238508 PWGKWBKLCWYIRU-JOCHJYFZSA-N 439.520 0.766 30 20 ICED Cc1ccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCOCC2)cc1 1468142816 JSXWLRFTQKOWHP-GOSISDBHSA-N 426.477 0.502 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 1554361638 PTAHCOZAYPYMOX-MRXNPFEDSA-N 443.533 0.377 30 20 ICED COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1=O 1555575797 OXFYYASTXDKNAA-QGZVFWFLSA-N 437.504 0.638 30 20 ICED CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1618278436 UFNFGQZOSWZADG-CHWSQXEVSA-N 436.460 0.403 30 20 ICED N#CC[C@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1630966322 MPRNNBWJTXKVGJ-FQEVSTJZSA-N 435.502 0.736 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1706864855 RCLQUZBWCMPODM-ZDUSSCGKSA-N 444.583 0.453 30 20 ICED CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1746495518 ULIMZXITDVTTMO-HUUCEWRRSA-N 436.538 0.215 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1770740540 RZRSALIUQBEGEO-AWEZNQCLSA-N 430.419 0.412 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778859742 MWNCJBLYTYNIFQ-FIXDAVPBSA-N 429.561 0.855 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136029 CVKAGHAHGSKCRV-GFZPSCOSSA-N 431.518 0.555 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccccc1=O 1779271950 IQYMHNVPEDESPZ-NTKDMRAZSA-N 441.528 0.938 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124186 QGPVSANXURXYAT-IIBYNOLFSA-N 432.477 0.407 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780356484 XDHUCFHMJIIQCC-NRFANRHFSA-N 431.541 0.758 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171053 IPMMGDLIQKWWAK-OFNKIYASSA-N 442.516 0.854 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355176 LPJDQMKHOZWSBB-HTAPYJJXSA-N 437.537 0.896 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782017369 ICDXTFCJAUUMQQ-XMSQKQJNSA-N 427.457 0.861 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782960442 SPWFIUQCNXSPKI-DYESRHJHSA-N 438.546 0.092 30 20 ICED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784932746 OIWRAOMZIFDNNH-ACRUOGEOSA-N 426.517 0.949 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786859118 LYNDDTLKJGGESU-XUFBONQXSA-N 431.581 0.588 30 20 ICED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255220 HNAUUFFWYHCFBE-DRMAHVMPSA-N 429.521 0.822 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788472049 NWNBDGCZRUPCIQ-CAIZAGQASA-N 444.488 0.525 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1788678292 XCWPLOWUTBAWJC-SFNAOAHVSA-N 429.433 0.193 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789570400 ZNHRPPIETXJWFH-FCLVOEFKSA-N 448.545 0.479 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)ccc1F 1789906234 FQNIZHWGHMBROK-DUPRYPCISA-N 442.491 0.746 30 20 ICED CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791307049 URDMUQCYEUVBQL-KXFSNUTRSA-N 443.566 0.609 30 20 ICED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1792186625 SQCFKJMSZHFYNU-FXDDEMFSSA-N 435.569 0.743 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1793357838 CHZYMNJBNJEINY-ZJOBFFGXSA-N 427.457 0.616 30 20 ICED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795994851 FPFSBNHCLYRQKK-MCYUEQNJSA-N 425.411 0.770 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796423124 NCTHUSRWIQNKIR-PRFQISJJSA-N 428.580 0.333 30 20 ICED O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797656577 MZUNGCXDBPNRHP-QKIXTDTJSA-N 434.415 0.153 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1)n1ccccc1=O 1797784066 IGLAFXAOAHGCBD-VWNVYAMZSA-N 441.528 0.698 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1797930960 LCDPQIJVZUBYOV-YDGKCNFYSA-N 442.516 0.831 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1801995777 QHFUNHMYFOIZLM-OPMZPASUSA-N 446.467 0.883 30 20 ICED 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)CCN1C(=O)OC(C)(C)C 1802249167 UOYGXPFXYJDIIO-NAHJCDBISA-N 449.504 0.310 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1803560473 MYGJFVZAMYSHGQ-NNWRFLSQSA-N 446.548 0.721 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@@H]1c1cccnc1 1810343838 VOJOXTBPFNSLNA-GYIHYUDTSA-N 437.518 0.901 30 20 ICED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)c(=O)nc1O 1814035007 BMYVUTRMVXLFKW-GHTZIAJQSA-N 435.484 0.772 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815682213 RANXBPBJZVTHAD-CYBMUJFWSA-N 429.506 0.440 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)n2cnnn2)CC1 1823749349 JKRVPCFKMZJGAO-MHDVBENUSA-N 429.525 0.712 30 20 ICED CC(=O)Nc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)ccn1 1825668009 XJMACSOSKNMQDE-GFCCVEGCSA-N 427.442 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1829770449 QIZUAHSKVVINRY-XSAUMEDDSA-N 444.488 0.019 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1829773885 YOVGIJMFBKKFNP-YLNCNTMDSA-N 444.532 0.583 30 20 ICED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1833521821 WLYQLLOHLDZTNM-FLVDCRJSSA-N 434.585 0.541 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1833843866 GKIGHHNNBCMUHG-HXUWFJFHSA-N 428.424 0.210 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1834246610 KMOUUAMEZDQHSM-QFIPXVFZSA-N 430.505 0.189 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccon5)CCO4)C3)c2c1 1834490703 UCEGGXMCIDPHRR-OAQYLSRUSA-N 436.428 0.806 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1834766938 GMIMOGDEXQODOA-IBGZPJMESA-N 431.474 0.109 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835098339 OSAIYCLCEYFIKL-AWEZNQCLSA-N 432.481 0.541 30 20 ICED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1835365840 WVOHHKNOXXPIHI-JOCHJYFZSA-N 428.489 0.567 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673131 XFMZIDRXOPARLG-NRFANRHFSA-N 432.525 0.255 30 20 ICED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1ccnc1 1835675498 SMZUNLDPHRZGRW-LAUBAEHRSA-N 432.525 0.182 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170904 WEZDGGBOLKBXFT-QFIPXVFZSA-N 445.520 0.687 30 20 ICED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c2ccccc21 1836343585 SUYOQMFVPDKAOO-JOCHJYFZSA-N 440.456 0.214 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155277 DRRLKGJNVVAGQA-JTSKRJEESA-N 426.473 0.443 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1837308961 FLWCORQYHNROKA-LAUBAEHRSA-N 438.594 0.695 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1837393439 RJZPFVFDLJKGKQ-OPAMFIHVSA-N 440.537 0.748 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1837489575 NGJPPOABUNOMNC-QFIPXVFZSA-N 430.505 0.107 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1)CCO2 1837974316 YWNQWEOSIZTSEI-QATSOJGNSA-N 444.488 0.019 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503475 WLLLJPQMZWFCRD-ZHRRBRCNSA-N 441.488 0.372 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c([N+](=O)[O-])cc1O 1838602211 UDFBKBDEVSNZNV-HXUWFJFHSA-N 448.432 0.683 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1839173247 GJPQSTZRVPHFBG-OAQYLSRUSA-N 434.445 0.428 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)ccc1F 1839186790 OGWLMVZYOSTCHV-HXUWFJFHSA-N 445.476 0.862 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186804 ORMFSQORSHRFBK-REWPJTCUSA-N 444.507 0.790 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1839225375 HZEAKJCVCMNWAJ-YCRPNKLZSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1839227602 VLZFBBFSJIWEHY-HLIPFELVSA-N 436.513 0.172 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839445677 GFVVNCWPKCXCGW-LXHZQTKUSA-N 445.472 0.026 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1839807359 URBSYHDSYTWPEH-KKSFZXQISA-N 431.514 0.186 30 20 ICED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840322263 SEUBDYWIWBXBOY-FQEVSTJZSA-N 434.424 0.123 30 20 ICED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1840404727 BPCJQZQZWKXZEE-ASPARNDVSA-N 446.552 0.681 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc(C)s3)CCO2)C1 1840517668 QWMBUFMPTASSHO-IKSNEBHTSA-N 433.530 0.959 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C(C)C)CCO3)C2)c1 1840565999 QMUWWVRCADXLKT-QHCPKHFHSA-N 444.532 0.977 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1I 1847804959 MYPSOOQEAQQUHC-WXHSDQCUSA-N 442.257 0.868 30 20 ICED COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 25031531 SGJXBMPYPMPMJD-HNNXBMFYSA-N 441.444 0.913 30 20 ICED O=C(CSCC(=O)N1CCOCC1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 36339695 HOHDWLIKQPECEM-UHFFFAOYSA-N 440.547 0.688 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CC(N)=O)C3CCOCC3)n2)c(F)c1 442141180 SZYFXCLIOOVBLF-OAHLLOKOSA-N 428.424 0.608 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1C#N 460653499 FXKBAEAUTCEVKJ-KSSFIOAISA-N 439.563 0.891 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cn1 460715633 BFINXMUDMXQHLE-QGZVFWFLSA-N 433.428 0.978 30 20 ICED CS(=O)(=O)NCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 463202296 KXUSZVIOYYBZQI-MRXNPFEDSA-N 425.580 0.471 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 467324628 OYUMZRDNUMGURL-CYBMUJFWSA-N 429.520 0.077 30 20 ICED CC[C@H](C)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 467470068 WVVLZDRORYWMSB-JJXSEGSLSA-N 438.496 0.521 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCO1 471074207 KKWJECPUCNPXFN-QGZVFWFLSA-N 428.445 0.608 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1S(C)(=O)=O 472894236 DUTIZQVQRZEYDN-UHFFFAOYSA-N 444.517 0.599 30 20 ICED N#C[C@]1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCOC1 478652534 QPTOVDQQAXGPQL-OAHLLOKOSA-N 430.280 0.601 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 484841086 ZKBRWYZPCAJIBK-UHFFFAOYSA-N 447.565 0.921 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 489005229 CSRSJKWIAKASEX-HOCLYGCPSA-N 428.514 0.414 30 20 ICED CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491346791 OIJFCSIDDUMLAO-SFHVURJKSA-N 425.493 0.346 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCNC(=O)c3cccc(O)c3)n2)cc1 491358329 DSLNYOIIRZIBKZ-UHFFFAOYSA-N 447.455 0.778 30 20 ICED COc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)NC1CC1 499331461 RBDSHFRKZHLAOH-UHFFFAOYSA-N 436.534 0.824 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505281914 UAWRDISGCUKNPA-INIZCTEOSA-N 437.460 0.093 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 506221655 FPBUEMBHDXRNEO-HOTGVXAUSA-N 442.563 0.360 30 20 ICED Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508343873 SFQUWFCJHBNJLB-UHFFFAOYSA-N 427.490 0.402 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)C[C@@H](C)O1 512157177 WJAAYMIXIGLGJV-CALCHBBNSA-N 438.525 0.858 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514002030 RDHHGDUJKUQBOW-QRWLVFNGSA-N 431.518 0.713 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)c(C#N)c2N)cc1 530748456 LXXGZKQVTTZXGR-QGZVFWFLSA-N 444.561 0.802 30 20 ICED CN(C)c1nccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 540500424 QKJVJINZOSIMKG-UHFFFAOYSA-N 429.506 0.630 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)o1 541543409 MJRBPBFWQIAJQW-UHFFFAOYSA-N 442.457 0.995 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)cc1 550974188 QYSWDYYESUKWHC-UHFFFAOYSA-N 442.497 0.716 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 551816378 DKNSAOMBRDSGME-UHFFFAOYSA-N 437.551 0.634 30 20 ICED COc1cc(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C#N 558614870 YYFCPJVCSVKHDJ-UHFFFAOYSA-N 437.522 0.407 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 561783107 IISRFWSTRKSWFS-IMFGXOCKSA-N 448.495 0.719 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 570607520 DHVZBKLWJYHFOQ-UHFFFAOYSA-N 448.526 0.710 30 20 ICED CCCc1c(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cnn1-c1cccc(C#N)c1 573372911 FYLOSOKGFFQOBL-UHFFFAOYSA-N 432.506 0.643 30 20 ICED CCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1c1ncc[nH]1 574431658 ZALAXKAKYQYAMW-OALUTQOASA-N 449.515 0.404 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)CC2)n1 577204893 RVPCECADJKPVPH-KRWDZBQOSA-N 436.447 0.663 30 20 ICED CNCCCc1[nH]nc(NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1C#N 579542801 BHLNFHZQUJJBOA-QGZVFWFLSA-N 426.399 1.004 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 588775430 HMXFJTGBRBZMGE-UXHICEINSA-N 430.505 0.139 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 604972394 VDOLJTFSOXTZKP-UHFFFAOYSA-N 433.490 0.459 30 20 ICED CC1CCN(C[C@@H](O)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609710334 AKJYYTUUSBAUBH-OALUTQOASA-N 427.505 0.972 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(=O)N(C)C 610928911 PRIZXNWVKGTXIV-UHFFFAOYSA-N 438.962 0.742 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 614818750 WLJKDGZXFHPCNU-NZSAHSFTSA-N 438.525 0.642 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 728535606 AOABQMQAENTYHT-UHFFFAOYSA-N 434.562 0.533 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNS(=O)(=O)c3ccc(C#N)nc3)ncnc1-2 729491963 WUNRRNMGCUTAOX-UHFFFAOYSA-N 437.283 0.156 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733015453 ZRIUVCGGUONBLM-CQSZACIVSA-N 440.434 0.303 30 20 ICED C#CCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 733160841 DLGBIJDYEZGFSR-UHFFFAOYSA-N 432.546 0.077 30 20 ICED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)cc1 741454437 JETULVNHHNPKHB-MRXNPFEDSA-N 435.550 0.831 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 742274209 GXUSBTHIHHXBJA-OKILXGFUSA-N 446.526 0.358 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)cc1 747796691 DOOUCGQGGWXSOM-ISPGYRLHSA-N 440.547 0.422 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 747991259 GYKOTPLPWWKXNW-UHFFFAOYSA-N 440.500 0.014 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1C#N 752394589 ODKTUQNZZMVSLP-CQSZACIVSA-N 437.478 0.605 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 758061014 QZSUWPFMNAXTKV-UHFFFAOYSA-N 435.427 0.827 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2sc(C)nc2C)c1=O 758076563 UDVLXJNPVKBKMN-UHFFFAOYSA-N 430.580 0.695 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 761029025 MTMVNVLJBMSAAP-LBPRGKRZSA-N 430.433 0.420 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccn(C)c2)c1=O 763460083 FLYZNQVFGGSQQH-UHFFFAOYSA-N 438.484 0.862 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCOc1ccccc1 767625289 ATCTVSSLTHAGCM-OAHLLOKOSA-N 431.470 0.963 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767677066 QYZQDLZREIVKQY-CYBMUJFWSA-N 445.453 0.733 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC2(CC1)OCCO2 767677849 BNGSDCSMVVFRHU-CQSZACIVSA-N 437.474 0.134 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1ccnc(C#N)c1 771622140 QHKOTSAGANHRNP-KRWDZBQOSA-N 437.499 0.778 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c3ccccc3)c2=O)cn1 772286081 XSTXCOVMDAUTJI-OAHLLOKOSA-N 435.509 0.850 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774542196 MHCAEYNPUJNVGR-UHFFFAOYSA-N 448.548 0.727 30 20 ICED COC(=O)[C@@H](C)n1cccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 774588782 VABZAYMPHPXACL-OAHLLOKOSA-N 434.522 0.999 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 783347366 JHOWTVSECUGNTL-UHFFFAOYSA-N 425.488 0.538 30 20 ICED N#CC1(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 784228103 BCDZHQPDZIHDLT-HNNXBMFYSA-N 436.446 0.854 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 786844833 FWUBDBJNWHPIFG-HNNXBMFYSA-N 443.953 0.809 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(-n4cncn4)nc3)C2=O)cc1 787258010 ORLCGMVRRQKIDV-SFHVURJKSA-N 444.455 0.462 30 20 ICED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793194469 LQUDYVXYTXYLDI-GOSISDBHSA-N 434.474 0.520 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 795818007 UDSIKXLSMMOQGW-LJQANCHMSA-N 439.516 0.843 30 20 ICED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnn2c1OCCC2 816201582 IYVZFRMDGBIYAG-UHFFFAOYSA-N 429.462 0.635 30 20 ICED C[C@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 844266534 UBZVJSHZFRSRFO-SFHVURJKSA-N 427.548 0.979 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1CCOC 914565149 WHVLKKYXYNLBPP-UHFFFAOYSA-N 428.333 0.629 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 918166136 ZIWFEDNWALLGQI-OQKWZONESA-N 447.517 0.779 30 20 ICED COC(=O)C1(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CCCCC1 919034392 QVWYPHYXKRDMHP-UHFFFAOYSA-N 437.474 0.372 30 20 ICED CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1291183960 KPNOFEJWIMLTIM-HZPDHXFCSA-N 425.559 0.349 30 20 ICED CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296120733 KLROZNVBLKEYLJ-ROUUACIJSA-N 430.557 0.269 30 20 ICED Cn1nncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1314935600 LJHGNXGMIDURPE-SFHVURJKSA-N 430.469 0.967 30 20 ICED COCCN(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316067050 YLGOVQXILXLARL-QZTJIDSGSA-N 430.557 0.374 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCOC1 1319401442 YZVBNYHZGZTRSB-HZPDHXFCSA-N 444.557 0.907 30 20 ICED CS(=O)(=O)Nc1ccccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1321660167 PFAYWNJWKPJMNF-UHFFFAOYSA-N 436.515 0.803 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nnc2n1CCCCC2 1360248059 LHAOPYFUOTYUHC-OAHLLOKOSA-N 427.513 0.706 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1512586748 VSUJHAVUPCRAOQ-AUUYWEPGSA-N 434.522 0.342 30 20 ICED COCCN(C[C@H](O)C(F)(F)F)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1583145370 NNZUXKQUXZNBKP-FZMZJTMJSA-N 437.440 0.902 30 20 ICED N#CCSc1cccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1596757854 FKXNTODTCCIRHS-INIZCTEOSA-N 443.572 0.577 30 20 ICED Cn1c(C#N)ccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629998740 PWSAYMPJHLYKPE-UHFFFAOYSA-N 437.522 0.604 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4n3CCOC4)CC2)cc1 1634536060 YVUVHGNYBJMLDU-UHFFFAOYSA-N 430.490 0.397 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1643118651 QFUJSYFSEVDDSU-ZBEGNZNMSA-N 432.424 0.895 30 20 ICED CS(=O)(=O)c1cccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1651996809 PVACHKVMFIPAMA-UHFFFAOYSA-N 430.486 0.594 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1710909039 FZPGGZOCCIQOAH-NDEPHWFRSA-N 436.563 0.667 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCO1 1722845804 YRBSDRBOODAEQT-SIKLNZKXSA-N 439.520 0.225 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740822685 NSTVWGFWCYOKSO-ZFWWWQNUSA-N 446.961 0.421 30 20 ICED CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771368009 KZCLCZAWVVBRRI-ZWKOTPCHSA-N 446.533 0.781 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779218049 AZTYPBUDCAOEMA-XMSQKQJNSA-N 429.521 0.443 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779245329 XZTJRODEHFRROO-VTJXTGGHSA-N 434.541 0.407 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1779268840 FNDWRGRKMVUOPT-QNFHRHJVSA-N 432.521 0.867 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1779408045 TTXQNVMHWSQFCN-NALNUFGESA-N 430.523 0.313 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)N1CCN(C)CC1 1781099147 PFBNKWAJPXJRAY-WZONZLPQSA-N 425.533 0.638 30 20 ICED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)C(F)(F)F 1781804603 GROWXIBXBKOVDF-IUODEOHRSA-N 443.359 0.344 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783197881 IYSXWBOUULPHGZ-GOSISDBHSA-N 426.420 0.299 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959290 CIFJUVVKNBLDQD-FQEVSTJZSA-N 433.486 0.585 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)N2CCOCC2)CCO3)c1 1785078334 KCGSTGAFZXRPIG-OAOOKAIFSA-N 442.516 0.408 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1785594353 MGICLNGQQIFVGP-URZJWIJPSA-N 436.553 0.847 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559216 OIYXBXXPLFYMPF-LEAZDLGRSA-N 432.542 0.699 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787016497 PEYDPVXKUUTFIW-BZSNNMDCSA-N 431.489 0.337 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1788576484 VDTHLYUMBCKXNX-XUXIUFHCSA-N 435.443 0.218 30 20 ICED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601183 LZCZSKBZUBUJTI-DKDXOFKGSA-N 432.525 0.494 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788603547 LTYVMYLLQYBFHD-LTADTEAASA-N 433.553 0.450 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)nn1C 1789400812 QURISKOTYPVXBU-XPLYWSEASA-N 429.477 0.734 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)[C@@H](O)N3CCOCC3)cc2)CCC1 1789549726 NNBMISBEEIIBPK-FMFFHWJCSA-N 442.516 0.630 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1792148641 QDVMBAPYPZANSY-QXRVWQFBSA-N 425.485 0.809 30 20 ICED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239245 BDVFRVUSVUSZHQ-IHRRRGAJSA-N 443.616 0.746 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(C)c1)C2 1792484167 FBXHWMKNYRWIKU-KAHPKBMISA-N 426.517 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](OC)c1ccccc1)C2 1792485551 LYBLMNJACRYZHS-JAIBOBBQSA-N 427.501 0.822 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccs1)C2 1792563080 HKCYQRZBQZEZAS-FYVVFRBKSA-N 430.530 0.975 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793165326 BFVFFQINLDISQD-DEYWJSPQSA-N 426.473 0.969 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793380342 OZOZHWLUPWSTGE-QRJUGERDSA-N 445.582 0.416 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CC)NC(N)=O)C3)c(O)n1 1794490074 ULOFBZYAYXFSED-LTCOOKNTSA-N 445.520 0.556 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795601047 OYEVMLPZPWAEAM-IEWDOMPSSA-N 448.564 0.837 30 20 ICED O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795759967 JDSMLSSWBQYSJB-CKUYNROOSA-N 439.900 0.655 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)cc1 1796306978 QIFXYLIJNAYUBI-NBMJBFSESA-N 425.514 0.788 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1797729028 OQRUTLPSZHPOQP-HATOLVCRSA-N 435.641 0.959 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1797817058 XCDXXYBAQSSAKD-VHWVQJITSA-N 447.492 0.233 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)cc1 1798499548 WDLUHPJRRQWWTQ-UPHUGPLXSA-N 444.451 0.478 30 20 ICED C#CCCC(=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 1799196501 KJSCSRNCDWAUOE-FSNPWBFUSA-N 435.521 0.217 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)cc1 1799641712 DJGOVMWNDIOUMP-RMFSNUHRSA-N 436.468 0.979 30 20 ICED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)cc1 1799642895 YXWOOEJZHGORLO-UPHUGPLXSA-N 437.456 0.530 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800673845 WDVIKVDJAYAXCX-MPTYRVRUSA-N 426.514 0.902 30 20 ICED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801029084 PQNLWHRITBUWFK-YNVMFWSZSA-N 435.521 0.943 30 20 ICED CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994603 WJCGQOFMQFOLGA-AXVVYFOYSA-N 433.530 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]1c1cccnc1 1802538329 KPTFPBQODCFTLN-VCAOOIQNSA-N 441.532 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(C)c(O)nc1=O 1804097095 ADYRAVRGXJJSFK-MUJYYYPQSA-N 432.477 0.405 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1806926987 MRJZOYXEBRKAHQ-PLNGDYQASA-N 444.492 0.881 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)c1 1811532557 HQNFOAIDHJBUNB-BEFAXECRSA-N 435.444 0.153 30 20 ICED CN(CC(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812393118 ATMGYDSFQUOZPH-DOTOQJQBSA-N 427.461 0.324 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1813037313 VTIQYINUPWIBGY-BNLOLNQZSA-N 449.558 0.871 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1829266918 GNHWAAXKMOLSPR-HXOBKFHXSA-N 440.500 0.596 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)nc2s1 1830053538 WIXDULDQMLOVDN-FQEVSTJZSA-N 446.533 0.648 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830769088 OHDYDKPKZWTLPV-XQLDGGAHSA-N 435.569 0.399 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1831413734 GLMPNQCVAHAPBU-DENIHFKCSA-N 439.553 0.730 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cn1 1831952608 IKTOJPZLXOJFSS-IIBYNOLFSA-N 434.493 0.961 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)C(F)(F)F 1832161171 BDVUAYVLXXIVQD-RTBURBONSA-N 441.406 0.942 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833180294 DJDVDUHWXNTXGK-LSYMRDCYSA-N 442.516 0.329 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273898 MVGIYNMNGXHYTC-FFCJBUTOSA-N 428.445 0.102 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833464394 GTPOHNWDURAFCZ-SFHVURJKSA-N 431.581 0.878 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1833475989 PCTGGGSVIQRVEA-CQSZACIVSA-N 433.509 0.664 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833555151 ZXUWABAQRXUNSC-LJQANCHMSA-N 439.900 0.680 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833767146 UJFIGQWAVAKCFB-JTSKRJEESA-N 433.505 0.733 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756353 XNWAWHZYTFYPNP-JOCHJYFZSA-N 429.473 0.776 30 20 ICED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835245380 QQFUDIHHVJQVIA-JOCHJYFZSA-N 431.489 0.486 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835949224 DQSFKQNDBBJHRL-HMFYCAOWSA-N 431.489 0.356 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4occc34)CCO2)C1 1836288815 NQMVIIBNYXNEQY-OPAMFIHVSA-N 427.457 0.936 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837019950 PTUOHQVSYGUFRI-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2)C1 1837213958 SKGCGIYAGCIHQO-MMOPVJDHSA-N 426.510 0.622 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837307978 KIGGWYRDKNHGSD-ZHRRBRCNSA-N 443.504 0.414 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1837397810 VUGJCEPVCHEWRM-GCJKJVERSA-N 434.537 0.855 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837486663 LYTUQAAPGBRODS-QHCPKHFHSA-N 445.491 0.989 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCO2)C1 1838051590 MUMMTIVGODWYAE-VLIAUNLRSA-N 431.518 0.860 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732865 CTRANMLSXVRCPT-SFHVURJKSA-N 431.478 0.163 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)cc1 1838950183 MWLHVQGJMUKJQL-REWPJTCUSA-N 435.484 0.723 30 20 ICED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1839066096 GANIOEVJSNVJBG-TZWBQFSNSA-N 435.569 0.256 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839175068 OAUCCIXOPKXIQR-HTAPYJJXSA-N 438.521 0.525 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1839451959 ZMJFPKGVZMTKBQ-NRFANRHFSA-N 425.445 0.679 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518282 QYIQYSBXZNWSPH-JTSKRJEESA-N 448.520 0.309 30 20 ICED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839862233 UOEBXVOHGJTMDX-KSFYIVLOSA-N 428.489 0.520 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840041933 QODLLCWLIJONHM-WUUFJKRQSA-N 432.454 0.031 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1840441562 ANLVCIYKVZBBNQ-DJHMHYBJSA-N 432.525 0.372 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645594 CJXZXRAIEZHJKH-UTKZUKDTSA-N 435.546 0.810 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)CCC1 1840815215 CWLALFGEKKCRGU-NRFANRHFSA-N 442.451 0.632 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1840842074 LLEWUPRBNZSEBC-OAQYLSRUSA-N 444.513 0.548 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846371354 OLCHNZBJULWKKT-STQMWFEESA-N 429.539 0.965 30 20 ICED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 60629532 RGDCQLNHQZFLMW-UHFFFAOYSA-N 427.486 0.785 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 61038725 RRBNTSVQGHCXQS-UHFFFAOYSA-N 434.478 0.673 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 428204252 MTXMMDSEAJDESO-UHFFFAOYSA-N 443.388 0.322 30 20 ICED COc1ccc([C@H](C#N)N2CCN(C(=O)[C@H]3C[C@H](OC)CN3S(C)(=O)=O)CC2)cc1 436319669 FLNGPYLNLBOFRG-OTWHNJEPSA-N 436.534 0.453 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 438717561 BEMQWKSLFTUVQE-MRXNPFEDSA-N 436.859 1.549 30 20 ICED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446526347 IVUFXULQMWJLNE-UHFFFAOYSA-N 440.497 0.383 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 461305136 NWJYMPIFPLFFRR-SFHVURJKSA-N 433.534 0.390 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 467328203 SVTVBSRAURGVCH-UHFFFAOYSA-N 442.427 1.344 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 468248834 AWRRUEKHKHMWEI-SFHVURJKSA-N 446.467 0.532 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccccc2C#N)CC1 470199395 YNSQZFLLQSNTJU-UHFFFAOYSA-N 429.502 0.975 30 20 ICED N#CCCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 471187335 LJTQFVMCJCKFFO-UHFFFAOYSA-N 448.545 0.916 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2)c1C#N 472106074 NBLNLXWBNWGAQM-UHFFFAOYSA-N 427.484 0.930 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 480666414 PFGOZPAUBYQZBA-KXBFYZLASA-N 438.575 0.549 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482199307 OFADHGUOIFZXCK-LBPRGKRZSA-N 428.474 0.907 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C3CN(C(=O)C4CCCC4)C3)C2=O)cc1 486648515 DAIXMBDPBRQSOX-LJQANCHMSA-N 430.530 0.980 30 20 ICED COCC1(C#N)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 501442791 UOPYUBFXWOJGPW-UHFFFAOYSA-N 426.470 0.793 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCC(=O)OC 501780286 YWCCVEWOHWNOAA-UHFFFAOYSA-N 429.498 0.129 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 502344901 WPNBVNSBMDEEJV-SFHVURJKSA-N 427.548 0.458 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1=O 504201876 MIUJHPXCTWRRHZ-INIZCTEOSA-N 449.471 0.007 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 508116211 BKFBHWPYZLAOAM-UYAOXDASSA-N 439.516 0.351 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508885520 QIYPNUWNFNYXKV-HUUCEWRRSA-N 427.575 0.111 30 20 ICED CNS(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)s1 514775194 NSROUNNFILEGHW-UHFFFAOYSA-N 442.544 0.465 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(F)c2)c1=O 522283937 ZQLNEQKLKIKLAB-AWEZNQCLSA-N 433.505 0.740 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC(F)F)cc3)c2=O)cn1 522390742 WTAGQNFIAADHOH-UHFFFAOYSA-N 445.451 0.966 30 20 ICED COC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc2O1 532923704 RRKAAECKKMMJDX-GOSISDBHSA-N 425.445 0.944 30 20 ICED N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 533357562 VXMPGCWMCXJFLJ-UHFFFAOYSA-N 431.474 0.585 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@@H]1CCCO1 537395905 KTMQKYNRBISXKY-INIZCTEOSA-N 440.525 0.606 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 539994775 SSTJIRJXXHXWLR-CYBMUJFWSA-N 426.458 0.748 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CC1 550639104 FWNMAEGBPIXBLZ-UHFFFAOYSA-N 436.578 0.897 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 561406629 JLACFAXVSDOOFT-OALUTQOASA-N 428.514 0.588 30 20 ICED C=CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 563979045 BVHISVRWSMMMHH-HXUWFJFHSA-N 428.533 0.813 30 20 ICED COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCO1 570245791 RRWJCVUHCNLPCQ-HZPDHXFCSA-N 443.460 0.765 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 573469567 FFVCNELSVIZCNU-DOTOQJQBSA-N 442.563 0.716 30 20 ICED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1=O 573733487 UBEDHAZJBJDMMX-UHFFFAOYSA-N 427.486 0.137 30 20 ICED CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573851730 VRMFFVDOCIVVBX-QGZVFWFLSA-N 431.456 0.893 30 20 ICED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 581965719 UNJJQMRABZQFMM-WOJBJXKFSA-N 441.532 0.739 30 20 ICED CN(CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 603593909 SSCXPDBGZOMEQP-MRXNPFEDSA-N 430.534 0.494 30 20 ICED N#Cc1cccc(CS(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 603598029 RQLOOBMHDAALRS-IBGZPJMESA-N 441.575 0.599 30 20 ICED COC(=O)C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603938923 LCGQBHFLZBYZGL-GOSISDBHSA-N 448.545 0.809 30 20 ICED N#Cc1ccc(CSCC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 609817010 NZSXDVNCQVSXHI-UHFFFAOYSA-N 438.575 0.949 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 609940405 GGKNWJYFMOMJPF-UHFFFAOYSA-N 428.474 0.196 30 20 ICED Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 610307770 BDYOECPSKMXYKD-BBRMVZONSA-N 430.490 0.454 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)C2CCOCC2)CC1 611809869 GZNMCRXHUORGJG-KRWDZBQOSA-N 429.477 0.832 30 20 ICED C[C@@]1(C#N)CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 612364730 CILDJEYHPRWGJF-WMZOPIPTSA-N 427.548 0.920 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)Nc1ccc(-n2cccn2)cc1 725759812 KFQQTFCUSVNORT-UHFFFAOYSA-N 438.469 0.666 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162671 RDGFOXHEVGVBHJ-UHFFFAOYSA-N 444.605 0.650 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2ccc(OC)cc2)CC1 728608493 CQFINDCVUGRALU-UHFFFAOYSA-N 442.545 0.526 30 20 ICED COc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCOCC2)cc1 732440064 XCRZMOLABULDOU-PNBGARPFSA-N 443.504 0.894 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 733149826 SSUPKBGKCBZCDQ-UHFFFAOYSA-N 436.553 0.686 30 20 ICED C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 735869320 PPBBNDZXMIFRKN-KRWDZBQOSA-N 441.531 0.365 30 20 ICED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 744907624 HAFWAFIGBMSPRT-UHFFFAOYSA-N 449.515 0.898 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745388478 VSLJPQVUSOGLPT-BTYIYWSLSA-N 428.445 0.514 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](C(=O)NCCC)Oc3ccccc32)CC1 747994078 YSBSGABOCUCVDW-IBGZPJMESA-N 440.500 0.295 30 20 ICED C=CCNc1ncc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 770107623 MVDRZJUPYKHSNY-CYBMUJFWSA-N 428.536 0.229 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCC1 771081213 VCAKIVVCVGDKAH-UXHZXRBQSA-N 444.513 0.930 30 20 ICED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 776117078 ICKXTLNAWCBJPM-AWEZNQCLSA-N 430.464 0.498 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 779331254 IEUHKDDPTBLBFL-UHFFFAOYSA-N 442.563 0.293 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCOC3)c2=O)cn1 794638477 FQEXSUJPQFGNGG-NVXWUHKLSA-N 442.541 0.661 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C(C)C)c1=O 794644179 CSZYJERDZYIKDM-UHFFFAOYSA-N 427.555 0.399 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(N)=O)C1 798248248 UGOYOWOGNFFFLO-UHFFFAOYSA-N 436.490 0.064 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 799283463 HDZSKUZRQCNKQZ-LJQANCHMSA-N 443.500 0.931 30 20 ICED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 807832056 IOJOTFBJEVTBJW-HNNXBMFYSA-N 428.493 0.585 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)c1 810462801 YPFVVSCJKPGEHQ-GYQDZVIGSA-N 444.517 0.835 30 20 ICED CC(=O)N1CCN(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 813949586 WZOULKVAKLJFIT-UHFFFAOYSA-N 435.506 0.239 30 20 ICED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc21 813984765 ZMIFEXXKBSOFPK-UHFFFAOYSA-N 427.442 0.097 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCc1cccnc1 814250653 UNQILWIMWQDHMC-UHFFFAOYSA-N 444.467 0.258 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(C)nn(C)c2C)c1=O 917355790 CGYSOIZEABWERD-UHFFFAOYSA-N 429.546 0.492 30 20 ICED COCCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918291633 SYCCQCOIMWOCSF-FXBPSFAMSA-N 440.522 0.559 30 20 ICED CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286864564 QBIKFHLFBFGIOL-UHFFFAOYSA-N 445.549 0.767 30 20 ICED CCOC(=O)c1c(NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)c(C#N)cn1CC 1310894054 VRPUKKOESYPTKC-UHFFFAOYSA-N 432.481 0.759 30 20 ICED CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1341981291 YBGTZRMQLFTUSF-CYBMUJFWSA-N 430.490 0.813 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C1 1505140829 WHTOKWDZLCGUIV-FUHWJXTLSA-N 441.517 0.827 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCS(C)(=O)=O)CC2)c1C#N 1511664659 YXDLRHOMYDBNGJ-UHFFFAOYSA-N 432.554 0.830 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1632250155 PPHJUEJLGKRRTE-KRWDZBQOSA-N 441.575 0.811 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1640429478 RTCWACVHDSYSIW-LEWJYISDSA-N 440.525 0.948 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1705755022 KHKJOEQQHNRHGT-OAHLLOKOSA-N 432.978 0.894 30 20 ICED CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1728601705 IKKMKFXHUHFFPB-QZTJIDSGSA-N 438.584 0.989 30 20 ICED COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1730728855 KHSRORDCBCRFQZ-MAUKXSAKSA-N 427.575 0.597 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nccs1 1741944107 KQGIZIZVTOFRFV-OLZOCXBDSA-N 425.540 0.706 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1765671853 IOEXFMRSOPKHKA-KRWDZBQOSA-N 445.549 0.859 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCO1 1767713729 WGFQXIBSUVDVNT-LJQANCHMSA-N 447.499 0.823 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1767815867 NVNYTZMRHNFMFB-UHFFFAOYSA-N 441.492 0.160 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778385749 BMFQTPSOTFHJHQ-UZQCKINESA-N 438.484 0.483 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccc(O)cc1 1778941657 CLSGTQLIRUPPOM-GAJHUEQPSA-N 438.484 0.595 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1779014812 JZLHGJRMPXOSEM-DHNIJCFSSA-N 439.520 0.733 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017471 PZXFKDQEJXIYEM-ODAUKNCYSA-N 432.525 0.445 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779122682 HLJBVELOSNFHLK-FOIQADDNSA-N 435.481 0.344 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779873083 GYCLVYJXHAOMMY-JLTOFOAXSA-N 433.465 0.430 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1Cl 1780192053 QDHOHBUELVHJSY-YWZLYKJASA-N 433.896 0.248 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780334785 JGYFHUWAEACGRX-JOCHJYFZSA-N 438.488 0.630 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C3)C2)CC1 1780935151 DVXIOLHMDNOGAY-HXUWFJFHSA-N 429.502 0.025 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1781264310 TUOQFFRPXMKLEN-QFIPXVFZSA-N 441.488 0.771 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1781973120 QOPZCUJMZQFJNW-DJJJIMSYSA-N 429.868 0.903 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782478159 YNKSYPATPKRRMV-IFLIKKASSA-N 448.549 0.269 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782518278 HNFDQTVKQRKRPW-DRSNIGMVSA-N 432.521 0.942 30 20 ICED O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782564209 RQXRBJVABBNPMU-DENIHFKCSA-N 443.548 0.881 30 20 ICED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784376590 XIBPPPQFPFFLRT-UFYCRDLUSA-N 447.576 0.971 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1784502511 WGDHZYFVSMMSEQ-DRMAHVMPSA-N 445.520 0.201 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786369937 AWKXGZBPVITECV-SIRPWMCASA-N 436.509 0.108 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(CCOC)n3)[C@H]2C1 1787636960 VCFRIOLGUHXHSG-PBWTXFEYSA-N 434.537 0.696 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788005362 DHDMYPIPIVKCFW-BQFCYCMXSA-N 441.488 0.832 30 20 ICED Cc1cn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](C)S)C[C@@H]43)cnc2s1 1788037957 QBROMDZCVDIIBK-JURCDPSOSA-N 436.559 0.976 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nn1 1789102072 MQCCQIOYNMMOET-ZOBUZTSGSA-N 430.509 0.360 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906881 TVSFRLUBQBJGIX-CQEAQJRCSA-N 442.491 0.910 30 20 ICED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)cc2C1 1790522985 QLGABARXCZZPHW-CUWPLCDZSA-N 425.533 0.725 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc5ccc(F)cn5n4)[C@H]3C2)c1 1790529254 YQMOVWDVBHYTBU-QRTARXTBSA-N 437.435 0.975 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)[C@H]2C1 1790667805 HGUHRPATTJKROO-WUEZWNDSSA-N 447.601 0.920 30 20 ICED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1790830159 INPUDQRYSMPWNZ-WSRJKRBPSA-N 429.521 0.787 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1793346439 RHCHGMNDDWCAKY-MFCZKXCZSA-N 444.488 0.902 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465695 GPZOSVHYEWUHBD-IYWMVGAKSA-N 448.516 0.818 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)ccc1Br 1799711140 WJUQKFCNRRSKMT-ZSBFGKGUSA-N 449.305 0.789 30 20 ICED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)/C=N/O[C@@H]3CCCCO3)C4)(C1)C2 1800703719 UQBINZXMQSAOSS-CRCILDMPSA-N 449.504 0.448 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1802127443 PFIGYZXMRRHESV-ZMMAXQRCSA-N 445.520 0.389 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[C@@H]1c1cccnc1 1808241036 IMKVUUFLXWLZRJ-QTEQDKRBSA-N 432.480 0.890 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596424 DZPYYCGJHDIXFQ-KGLIPLIRSA-N 432.481 0.527 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819396070 ZNPUMJMRDMUHNH-LUJYGJGBSA-N 449.556 0.160 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821692027 GBWHNYYWTVARAH-ISALQUGTSA-N 431.474 0.708 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829956412 MNKNEGPINUXNJZ-PGRDOPGGSA-N 426.473 0.154 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831425418 DBFAFBXRVMBMPO-KKSFZXQISA-N 429.477 0.390 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831491046 UCDVHXQUJMTUDZ-DNVCBOLYSA-N 425.555 0.883 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833244755 KJWGSSULUQKFBS-GOSISDBHSA-N 425.800 0.032 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1835124252 WMILABAIXMAITG-LAUBAEHRSA-N 430.436 0.046 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752659 YNVRJZSMGFHHGN-UHFFFAOYSA-N 429.517 0.345 30 20 ICED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1cccnc1 1835828929 OGANRHHICQWOEN-RDGATRHJSA-N 448.523 0.980 30 20 ICED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1835989787 JMTVTQMIUUTYCX-HSZRJFAPSA-N 437.500 0.995 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835992617 BDPAQDXHFKQJEA-DEOSSOPVSA-N 435.480 0.356 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836190102 JGZJVIYWKFVKGI-GSYMPFBVSA-N 446.504 0.610 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1836859451 GRWZVLJWVOHNJM-MRXNPFEDSA-N 440.504 0.775 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293287 UPHHTJISHOEPRK-LEWJYISDSA-N 428.445 0.481 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1837400274 BITAUDNHPMKSQO-VGSWGCGISA-N 449.552 0.676 30 20 ICED Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837491250 XDUJBDUYSWKWHP-QFIPXVFZSA-N 431.489 0.752 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837528373 ICKVSJFQRODEAE-OMJZWIOZSA-N 447.492 0.384 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1837630356 RPXQMVCILPTQST-HSZRJFAPSA-N 449.467 0.662 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837833135 SKNQLCSDYLEGRT-PRPIBZDOSA-N 449.895 0.058 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccn4c(O)nnc34)CC2)CC1 1838060871 NGQYBUQOFUQAHU-UHFFFAOYSA-N 441.444 0.135 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1838579544 PFLNELDSEZSZFY-RWWKDMOOSA-N 429.473 0.408 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1C 1838832319 VTEQQBVRNWJSLV-LPHOPBHVSA-N 426.539 0.453 30 20 ICED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953190 RNIMFTIVLQFKIO-FQEVSTJZSA-N 435.502 0.063 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839240493 FCBIVUQVGDXHPJ-NYNQOQISSA-N 443.504 0.738 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839361348 DPBNIUQNLVPZSL-HSZRJFAPSA-N 442.516 0.691 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1)C(F)(F)F 1839893717 LHZIXVHODWQKOT-QGZVFWFLSA-N 430.383 0.674 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816484 WGHZGNGOJARBBD-NRFANRHFSA-N 436.509 0.661 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1840899824 YHICGACKXRXLRX-YAQIIAKESA-N 443.412 0.152 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841223310 UGHOFWJGPBLMNQ-AOIWGVFYSA-N 429.517 0.960 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841300433 ZIMCYDQUHJLHAB-GJZGRUSLSA-N 426.514 0.876 30 20 ICED CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843423352 OYXZKCQSZZKDMN-HZPDHXFCSA-N 449.504 0.598 30 20 ICED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066483 PVPXXPBEIRMKDY-ULQDDVLXSA-N 436.553 0.772 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)[C@@H]3CCCS3(=O)=O)C4)c2c1 1845582660 DYMPSIXWNWKQCW-INIZCTEOSA-N 427.486 0.829 30 20 ICED CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 25096414 PDZDJNGWXAQLNA-UHFFFAOYSA-N 436.515 0.185 30 20 ICED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1 433185048 ZYGJTYZUEMAZIH-KBPBESRZSA-N 429.568 0.853 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 438835710 DDIUDEATVSUKPG-LJQANCHMSA-N 434.566 0.851 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C 441452829 QHXWXMSNVDDXPI-GOSISDBHSA-N 432.477 0.522 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCOC1 441932949 KNILVZSGWIJBOQ-AWEZNQCLSA-N 449.479 0.490 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCOC1 441952632 DAASREMLNADWQJ-OAHLLOKOSA-N 437.521 0.663 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443326204 ASSSOVPQRMKSAU-UWVGGRQHSA-N 444.366 0.968 30 20 ICED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 443699119 PXKAHSGVMXQDRF-UHFFFAOYSA-N 426.498 0.818 30 20 ICED Cc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 468189374 XLBDRYHLPFAXMJ-UHFFFAOYSA-N 430.446 0.780 30 20 ICED C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H](C(N)=O)O1 470026396 BCRWPAMNMQAYBI-CLCXKQKWSA-N 429.521 0.931 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)c1C#N 471701661 QMJZEYHCBQIYAF-SZNDQCEHSA-N 427.509 0.750 30 20 ICED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472151207 GIZLLNJRWPBLPL-FQEVSTJZSA-N 436.516 0.849 30 20 ICED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1[N+](=O)[O-] 472868033 ITQQOADOPLRONM-UHFFFAOYSA-N 427.421 0.804 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cc(C)ccc2C)c1=O 488119687 PGRUFLGZCUPYFR-UHFFFAOYSA-N 445.566 0.307 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 488651170 DEVPXTDRRRNINU-OAHLLOKOSA-N 426.470 0.535 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 491041747 XVVPALAAWVVSCC-LJQANCHMSA-N 430.505 0.629 30 20 ICED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)cn1 497821173 RLFSSJPUHKWHMV-WOJBJXKFSA-N 435.532 0.742 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(C(=O)CO)CC1)CCCC2 503190409 AKSGTKBMPJDPQY-INIZCTEOSA-N 429.521 0.493 30 20 ICED N#Cc1ccccc1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 507285160 NQFHNOLZWURUIU-IBGZPJMESA-N 431.562 0.012 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cn1 507556410 VTMWKGHKGBHULR-UHFFFAOYSA-N 449.514 0.640 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 519581346 MVWOTUIUBTXWKH-KRWDZBQOSA-N 434.518 0.655 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c(Cl)c1OC 521675996 CTERHNIBJOFHPB-UHFFFAOYSA-N 449.916 0.794 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O 524588108 KPJKMSNOWJAMID-UHFFFAOYSA-N 447.879 0.082 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 532197173 ORLSYLMOFBZMTJ-AWEZNQCLSA-N 444.473 0.877 30 20 ICED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1=O 533593379 PYHPDEQNMHIXGA-UHFFFAOYSA-N 437.456 0.570 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 542454369 PWGPPTILJHHCHM-UHFFFAOYSA-N 446.441 0.777 30 20 ICED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)nn1 546202644 FOQXDMWOWPJOGN-NSHDSACASA-N 434.359 0.950 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 550980432 JAXLTZMZUIFWKF-KBXCAEBGSA-N 431.456 1.160 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C 551430107 RKJDKZGJAYHCTE-OAHLLOKOSA-N 443.485 0.788 30 20 ICED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555272222 GWVTXVCVOMBNDF-UHFFFAOYSA-N 437.508 0.906 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)c1=O 556327284 LIGSVSCGGNKZGF-QGZVFWFLSA-N 433.428 0.456 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 559779320 JIHZKYXGOLAFJT-GOSISDBHSA-N 437.504 0.734 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 561406633 JLACFAXVSDOOFT-RTBURBONSA-N 428.514 0.588 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 561450353 FZNXJHXLJJGOPG-UHFFFAOYSA-N 444.598 0.042 30 20 ICED N#Cc1cncc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 571212530 YRCVSODRJINHGL-INIZCTEOSA-N 436.515 0.889 30 20 ICED CN1CCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 580679660 IHRMLVVAHIDNLF-UHFFFAOYSA-N 441.557 0.900 30 20 ICED CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581033891 UBSPZQVDSOFKRG-WMZOPIPTSA-N 425.489 0.687 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c1=O 581610775 CEMUVTIGLSOTEP-UHFFFAOYSA-N 438.440 0.188 30 20 ICED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCSC1 585723001 IJVXJCNWPJWHCX-HXUWFJFHSA-N 432.550 0.626 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 589498059 MSENRZYWKRIQGJ-UHFFFAOYSA-N 440.489 0.648 30 20 ICED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1C 604270552 YIKRBCBYIXHRKD-UHFFFAOYSA-N 438.553 0.705 30 20 ICED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 609336152 RKVKTUSWLQSQKY-UHFFFAOYSA-N 427.477 0.969 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 610424033 ULEHUXURQFDBHC-UHFFFAOYSA-N 448.505 0.639 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(Cl)c2)c1=O 611114840 VLQGVBLPAWTACO-UHFFFAOYSA-N 448.907 0.572 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnnc1C#N 612404295 BLDYYMOEDVPVML-UHFFFAOYSA-N 434.478 0.597 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 680447764 WVNOBOXTDJYIFR-HNNXBMFYSA-N 441.506 0.098 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1=O 685011016 LUAMVIUKRSFJGX-INIZCTEOSA-N 436.538 0.414 30 20 ICED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC2)cn1C 726201525 XFTACDPOOHKQSP-LJQANCHMSA-N 439.538 0.727 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 728534212 YFBUEQAXZBMVTG-SILNSSARSA-N 445.483 0.825 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 729674194 FSNNRCHRYGAXOE-UHFFFAOYSA-N 449.529 0.219 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1C(=O)c2ccccc2C1=O 732015589 JMMVFWNRJQDGSR-UHFFFAOYSA-N 440.481 0.918 30 20 ICED COc1cccc(C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n2nnnc2C)c1 732154133 OUDIYKQDZOMERC-IGGDJGDASA-N 425.449 0.417 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c1 741742240 SHPCDGNSBZNZNK-UHFFFAOYSA-N 448.526 0.399 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 743934296 WOYFDOCIEAWKAZ-UHFFFAOYSA-N 432.458 0.861 30 20 ICED N#Cc1ccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 746593946 XVOMHTCVFZUURA-UHFFFAOYSA-N 446.441 0.994 30 20 ICED CO[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1OC 754010867 VRYHTFIZXRWJKU-CBXPPRIUSA-N 438.506 0.310 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)n(C)c1=O 754804345 ZUNRKEVTVPRYMY-UHFFFAOYSA-N 448.439 0.728 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCOCC 755673884 RONQAXFCFCLBRE-UHFFFAOYSA-N 443.573 0.610 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 758077871 CTYOHGHAESXWKY-UHFFFAOYSA-N 431.901 0.471 30 20 ICED CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776119 LSDLYIKNYQBYMH-HIFRSBDPSA-N 429.543 0.859 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NCc1ccco1 767678163 WENKGYHYIWSECQ-LBPRGKRZSA-N 434.430 0.387 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O 771889961 CPSAJDNNRJTCMD-UHFFFAOYSA-N 439.925 0.668 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1)c1cc[nH]n1 772145734 KLGSBZLOHYSKFO-UHFFFAOYSA-N 431.449 0.888 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 776138831 PQTCFKKJQYWISG-OJXHRBAXSA-N 432.502 0.785 30 20 ICED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 778768477 JMTRIKBVQLOLLW-NXHRZFHOSA-N 445.497 0.632 30 20 ICED COCc1noc(CN2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 780608329 NVXKAOHGTQGMSV-CABCVRRESA-N 449.512 0.802 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)n1 789789202 SAJXDEFZPXQQPK-UHFFFAOYSA-N 441.488 0.840 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCCCC4)O3)C2=O)cc1 806692867 JBRBCJNVHILGJZ-OALUTQOASA-N 440.500 0.967 30 20 ICED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1ccc2c(c1)NC(=O)CO2 854412802 MRIYEDONKDRIKR-LLVKDONJSA-N 443.437 0.871 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C 919013661 HFQKJDRHVLWQEU-JLCFBVMHSA-N 442.472 0.288 30 20 ICED CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1288249299 RUELKABZOSDFIU-UHFFFAOYSA-N 448.535 0.640 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CCO1 1303010345 URICTXQOEDMPKK-GOSISDBHSA-N 444.467 0.974 30 20 ICED COc1ccc(CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1307346231 PKVQNTWGQQKXCV-UHFFFAOYSA-N 426.473 0.886 30 20 ICED C#CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1325086826 YFNYXHWXFCMPPJ-WFASDCNBSA-N 445.335 0.483 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C2CC2)cs1 1360714151 NDGLMGLBASPOMF-DGCLKSJQSA-N 437.551 0.999 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O 1459086596 IUTOQSPSBPYQIU-UHFFFAOYSA-N 449.511 0.761 30 20 ICED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1=O 1504900965 OVHAIMVVCJBJMT-SJLPKXTDSA-N 437.504 0.623 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1505140674 YLAYAXJBYLHJFA-DLBZAZTESA-N 443.533 0.552 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1517682696 MTDJAMVJFRKXIG-HNNXBMFYSA-N 448.505 0.277 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1751278404 VFQOJINHBQJEHP-VCBZYWHSSA-N 435.554 0.783 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC[S@](=O)CC)CCOC1 1765913616 OUUKFGILLCXTJW-PZAJFPQUSA-N 436.582 0.875 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779018984 AHUOIQQYLICEPV-KQFRHJRUSA-N 443.430 0.739 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058289 VEYYCIPNUUBMFM-QFIPXVFZSA-N 441.488 0.516 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C2 1780735126 IWMPIJFNQFCCSI-OXQOHEQNSA-N 444.550 0.444 30 20 ICED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1780793027 JDONSFAHYJMKNO-YCRNBWNJSA-N 445.560 0.820 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1781269171 CEFRNYHVRQVVBN-FQEVSTJZSA-N 428.449 0.077 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1781269727 JMALEGWLCVRZNN-JOCHJYFZSA-N 448.564 0.106 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1782010229 HWZQXELIARNOHI-VGOFRKELSA-N 441.440 0.233 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)c1 1782054651 FQQRBKMWTDKSOQ-HRAATJIYSA-N 433.530 0.991 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782182582 WDRFKDZFIVRTJC-NALNUFGESA-N 430.523 0.313 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568327 UFYZMDWHPHNBIV-LMGVVVSRSA-N 447.488 0.302 30 20 ICED Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)c2ccccc21 1783684418 YPPYRVWKFMJFHL-BXWFABGCSA-N 439.516 0.869 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@@H]21)C(O)O 1783867612 KWBOTVIFPJQHRF-FKBYEOEOSA-N 434.492 0.990 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1784504834 KGAIEVBMECFXNA-STEXWYFWSA-N 444.532 0.771 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784536223 POXIXQDJSAQIIO-KFGODFMUSA-N 444.550 0.415 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cc(O)nc(O)c1 1787293886 UONXAXROOXRDEG-TWTJJEHKSA-N 428.445 0.798 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)nn1 1788660520 VAWHJCPFCCFIJG-MOFWARSWSA-N 447.492 0.608 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790545968 RCHLPIAZXVQUNT-HYTALWEGSA-N 438.528 0.771 30 20 ICED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)CC1 1790886383 CJEAMNCPKKYZMF-RHLPKBAISA-N 437.493 0.448 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1791260876 ZENCZCNZZFNNBH-USJZOSNVSA-N 445.541 0.971 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCNC(=O)c4ccc[nH]4)C[C@@H]32)CCC1 1792138045 NDUOTPGWAZNAPB-BQFCYCMXSA-N 427.505 0.808 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2 1793535093 HBWDWDTZGOBDEL-NRSFXHEJSA-N 448.545 0.903 30 20 ICED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794110926 BRVNKHDWYWABQN-KCTHJMFYSA-N 430.505 0.795 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc2n(n1)CCCC2 1797441412 VHSHWLKUVUOBPB-LXANAVSTSA-N 428.537 0.894 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)n(C)n1 1799883606 QELXMSSEMWIQIH-CCWDJLKJSA-N 433.472 0.994 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799926866 ZQKCKOUMDOYPRL-BONWIGOUSA-N 428.533 0.884 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990093 RWRKRZGOLQHCJC-WGVRVLLMSA-N 428.489 0.441 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1C)C2 1802124913 KOYAUDHUQLANBY-DFGXFYAUSA-N 445.520 0.540 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1802481547 KMNAKFQVZLHALY-PWPXAWQVSA-N 439.516 0.568 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804087171 FRCFTJKQPJIOCF-IDHHARJASA-N 429.477 0.230 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)[C@@H]1c1cccnc1)C(=O)O 1807206213 RGXJUVSVBQWYQT-NOCIGQNYSA-N 433.509 0.951 30 20 ICED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@H]2CCCCO2)[C@@H]1c1cccnc1 1812620814 MHKWXXQMEWSDTH-QYQNTMADSA-N 431.493 0.753 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)[nH]n1 1814436159 KXNLDECXWFCUKE-CYSIVNQBSA-N 432.481 0.323 30 20 ICED CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)NCCC#N)CC1)C(=O)O 1826941088 MKLLTCYDLKMVMM-QZTJIDSGSA-N 435.569 0.951 30 20 ICED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830057308 AZXOPKNOSXGGJC-FQEVSTJZSA-N 435.550 0.958 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC1CCCCC1)CCO2 1830370949 UPQUTZOGUDUVIT-UFTUAFODSA-N 449.548 0.651 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1830641943 IDEIVGJMSPPRIB-HTAPYJJXSA-N 436.553 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1831387318 NXNZXSQECFVPFV-FDDCHVKYSA-N 445.516 0.518 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1831434478 YBZSOVLZNCYCGV-XQFWAAQXSA-N 432.517 0.638 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1831434891 IDCWJDWQIQQLGZ-VGOFRKELSA-N 443.504 0.699 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831499264 SSKKMLGIIVVQMM-YOEHRIQHSA-N 429.568 0.308 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832392990 SGQGHFXHBOBJOL-OAQYLSRUSA-N 430.432 0.402 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1832454445 OEFQHILSWRLOHM-LJQANCHMSA-N 440.497 0.772 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033007 HAQNGTJCTGLWCQ-UGSOOPFHSA-N 427.548 0.253 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833290549 IHWCUBDMOOXPHQ-UHFFFAOYSA-N 448.564 0.869 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](S)C(C)C)CC2)CC1 1833490637 WHNIRFNLZVZSMX-IRXDYDNUSA-N 427.615 0.959 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(C)c1)CCO2 1834278842 XYRQBMVJJIFINT-QATSOJGNSA-N 428.489 0.318 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835298718 QGIHEZWUPKCDFU-YYDVJCTNSA-N 432.517 0.750 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835479847 UDHSNDJTSVCEDH-NRFANRHFSA-N 439.670 0.760 30 20 ICED Nc1nc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)ccc2s1 1835787949 JQLSWCJUTLPHNC-FQEVSTJZSA-N 444.469 0.037 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836080764 ZAQKNSCCEGEYAM-QRWLVFNGSA-N 438.550 0.419 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836147066 KLSKJXDPYXMSHS-FQEVSTJZSA-N 448.600 0.181 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836611574 PZBXJVIWPRZHLB-IZRJCCQOSA-N 437.512 0.974 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1837400858 QAPJCWHQHGPQEO-IERDGZPVSA-N 436.509 0.072 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837477324 MJPVNNUUKGWRKY-FVJLSDCUSA-N 433.509 0.325 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n[nH]1 1837563217 URBFBNHTIAWQKP-IQTGRTGDSA-N 429.477 0.754 30 20 ICED C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838405179 DOTAHIHBXICBQG-SGQCMQEMSA-N 438.525 0.649 30 20 ICED CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1838736232 RWMNPOFVNHBUGE-DENIHFKCSA-N 431.537 0.979 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949533 HJGXQUUODIRUSD-UGKGYDQZSA-N 428.489 0.543 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839159373 WCIPDDIMVBQMQA-VGSWGCGISA-N 428.489 0.082 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223418 VKGUVKLSSITIAI-BEFAXECRSA-N 445.538 0.150 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1839451081 YEBIZLGCMNROFK-HSZRJFAPSA-N 435.484 0.969 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839774772 QLTPUHFUIHKTIT-KXBFYZLASA-N 428.551 0.694 30 20 ICED NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839863295 CWQPAAXOJAKINM-HQMUEHRGSA-N 435.502 0.209 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)c1 1839885129 BTMSLYRRLPGBJY-QFIPXVFZSA-N 444.488 0.163 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)cc1 1840232334 UQZKYKNMDUBFLW-XXBNENTESA-N 440.500 0.349 30 20 ICED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813119 FVDCZPXIIFHQID-JOCHJYFZSA-N 427.505 0.911 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195546 BUEJORUYIJPDGM-HUUCEWRRSA-N 437.468 0.873 30 20 ICED C=CCc1ccc(OCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 11624603 YJGAJJYSVAKKEZ-AWEZNQCLSA-N 440.474 0.359 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCCn2cnc3c(N)ncnc32)cc1 109833844 UDQIYKBSCMXECG-UHFFFAOYSA-N 429.462 0.848 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 430386240 KPFSGJXYNVRBAQ-KBMXLJTQSA-N 430.465 0.467 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461362055 OZIAWXFJPIGCIQ-AWEZNQCLSA-N 440.525 0.854 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 467135391 AMMVUBGPKVLCPR-UHFFFAOYSA-N 428.442 0.927 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C4CCN(C)CC4)CC3)CC2)c1C#N 472117001 DGPAOXWYWFUDJT-UHFFFAOYSA-N 428.585 0.990 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 476655284 ITGCRZGMXMAVNB-UHFFFAOYSA-N 438.506 0.404 30 20 ICED COCCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 477884380 WELPIHWZXZIIAF-MRXNPFEDSA-N 443.547 0.544 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2=O)cc1 505629798 DKDWZUSAINNUOO-SFHVURJKSA-N 445.487 0.919 30 20 ICED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 517439026 QCUDRJFRYTVXEV-QGZVFWFLSA-N 449.515 0.994 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 525032470 QWWBAOHZPNGJDM-IRXDYDNUSA-N 427.548 0.993 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532108803 MRYZOMHYSPNBBW-UHFFFAOYSA-N 437.525 0.771 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n(CCC#N)n1 533458132 ABGQZTJCCSZDPS-UHFFFAOYSA-N 430.490 0.577 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccnc2)CC1 535704705 IUOGZBPKLWLZDO-OAHLLOKOSA-N 427.486 0.605 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)cc1 542285646 ICYYTJWYHIYPBA-INIZCTEOSA-N 443.547 0.515 30 20 ICED N#CCNC(=O)CNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 553308855 YRFJZBXAIATQQD-QHCPKHFHSA-N 431.452 0.922 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(-n4ccnc4)c3)CC2)c1C#N 554413046 CNRLQXNXMXQMBW-UHFFFAOYSA-N 432.488 0.751 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@H](C(C)C)C1 559003419 IBSSBBURMGVWKM-DLBZAZTESA-N 426.587 0.964 30 20 ICED CC(C)CN1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561707618 QJETZLFAYRYYRG-PMACEKPBSA-N 425.533 0.869 30 20 ICED Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 570085443 JPAMFBSUEHXEMF-CTNGQTDRSA-N 449.515 0.072 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)c1C#N 572048815 IAEFCTJSSGNCQU-SFHVURJKSA-N 439.520 0.795 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 574713468 MAWMDVUPMATVGO-LAQRGFTBSA-N 430.457 0.819 30 20 ICED COc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCC(N)=O 576417030 NNLWLESZFCTDRV-OAHLLOKOSA-N 439.428 0.444 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 580237743 DELVDCVEXGIGDJ-UHFFFAOYSA-N 431.461 0.507 30 20 ICED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)C1 580393365 UMYSGPDEHRTHLY-CQSZACIVSA-N 448.501 0.619 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(Br)s2)CC1 588125959 UNOPJCGRBGGLGZ-UHFFFAOYSA-N 429.340 0.936 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 590898132 WYEFQQGFOSVNGB-ZDUSSCGKSA-N 428.470 0.658 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270546 XROFVXYBTPDGNH-UHFFFAOYSA-N 442.541 0.424 30 20 ICED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 610561539 MIYAYXAZHNKKLT-UHFFFAOYSA-N 429.462 0.325 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1=O 726042452 IYYPOBJNVPDOBC-LLVKDONJSA-N 446.416 0.501 30 20 ICED NC(=O)CCNC(=O)c1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731190856 ZJJQEJNOMLBXQN-UHFFFAOYSA-N 443.485 0.359 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 732156412 MWFNYMNTNZUGQA-VDMFXUGISA-N 438.531 0.852 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn(C)c(=O)cc2C1 744622480 CWFFUWCDNBMSRV-KRWDZBQOSA-N 443.529 0.963 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nc(C2CC2)n(CCC(N)=O)c1=S 756880679 AUXHUBFQYAHSGY-ZDUSSCGKSA-N 427.538 0.997 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@@H]1CCCO1 773798618 QHEPMOOOAVBPAG-OALUTQOASA-N 428.489 0.217 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)cc1C#N 774011771 GNDLTNGKWPIHRZ-WMLDXEAASA-N 448.476 0.938 30 20 ICED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777362481 MZTHKUSSCWZLSW-LLVKDONJSA-N 444.473 0.329 30 20 ICED Cn1cncc1[C@H]1CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 783972251 GMBSFGOVHQBQTD-KRWDZBQOSA-N 428.518 0.572 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)CCS(C)(=O)=O)cc1 785115691 KDMABIDQZXPAQK-UHFFFAOYSA-N 431.536 0.325 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 789788048 PLGXMEXDCZLSLR-UHFFFAOYSA-N 436.465 0.673 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 801343412 VOJRYQDQVIXOOZ-OAHLLOKOSA-N 440.481 0.969 30 20 ICED COC(=O)c1cccc2c1N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)[C@@H](C)C(=O)N2 809321938 FDMFPAXABUDMTC-NSHDSACASA-N 442.453 0.886 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 812318624 VZFCZUIGRZROPS-NRFANRHFSA-N 447.513 0.852 30 20 ICED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 821714714 PXJNGRNIMNLZGV-LLVKDONJSA-N 430.442 0.394 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCCOCC)CC2)cc1 915265057 URASSJKSKJYVDE-UHFFFAOYSA-N 435.546 0.993 30 20 ICED CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1301830939 ATNIAYLBJNMQSM-PGRDOPGGSA-N 440.504 0.985 30 20 ICED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1315064340 KFNQSTWTUTYING-UHFFFAOYSA-N 431.522 0.571 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCC2(O)CCOCC2)cc1 1521111330 WIFLLJDKNBFXKP-UHFFFAOYSA-N 426.477 0.597 30 20 ICED Cn1cc(S(=O)(=O)NCCN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1654991174 QAJFOLXBFLUMJT-UHFFFAOYSA-N 440.533 0.782 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(N)=O)cc1 1692538345 HVCMBSUVXZDFIP-GOSISDBHSA-N 436.520 0.740 30 20 ICED CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1708310573 URMMMFMTMKJDID-LSDHHAIUSA-N 426.543 0.776 30 20 ICED CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1750979395 IVWHKAHSWSEJRM-KSSFIOAISA-N 425.559 0.933 30 20 ICED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)CC1 1761546529 YYWXMPXCPQYNSQ-UHFFFAOYSA-N 425.497 0.797 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCO2)C1 1770349617 PPYYDOPBHYDURJ-IAGOWNOFSA-N 438.554 0.920 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)cc1 1778383226 HRZUYYBWGBZNKG-QHCPKHFHSA-N 448.483 0.646 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552140 DRZRDEJHKYNUOS-PIUNUONSSA-N 430.509 0.581 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n(C)n1 1779063363 VZWOOLLJUKQTSY-JOCHJYFZSA-N 430.505 0.571 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1)n1cnnn1 1779429519 VKXDMQJCAOCMHF-AZNCZSJYSA-N 449.512 0.277 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780122354 CLSQAAHEEXDUIA-MBSDFSHPSA-N 430.501 0.930 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784090 CHUPAMNGXQVMHQ-HRAATJIYSA-N 448.545 0.524 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CN5CCOCC5)CCO4)C3)c2c1 1782194894 PQNPACYFBHDNAM-JOCHJYFZSA-N 438.488 0.210 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)CCO2 1783048365 ZKCZRSDRSAJTHE-JPYJTQIMSA-N 442.516 0.981 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783106122 ABJPVNMFPFZXNA-QYWGDWMGSA-N 425.526 0.914 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784009920 DOIOTMMWYXUXLD-KPOBHBOGSA-N 443.566 0.507 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804589 FNRFSSYGARBYPD-QAETUUGQSA-N 434.493 0.082 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1786857882 IASDRXVIWRUHFW-BQFCYCMXSA-N 445.520 0.271 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152305 JFAYTHJZPDHKTC-MPGHIAIKSA-N 448.545 0.625 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792237165 BMFBIMVHCPCPFN-WFGGJUAMSA-N 445.632 0.781 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C(C)C)n1)C2 1792484645 UFYIEFKATIMMSM-XTLOUAGDSA-N 431.493 0.184 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1793383547 AWMNPMVGVPRIER-YYIAUSFCSA-N 447.623 0.202 30 20 ICED Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795602270 DZUZJWOABFDJIM-OPVJXMOQSA-N 430.553 0.762 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104888 DHKNDQUTZWIFAS-CCWDJLKJSA-N 448.483 0.578 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1797648522 PUHOCEMCFHIISG-IIZPIQPGSA-N 432.565 0.509 30 20 ICED NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cc1 1797785699 XTQYWKBIOQPHLD-CEQLMSFQSA-N 439.512 0.687 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797808993 WJHXIEQMGDTDOQ-BPFMKURSSA-N 433.509 0.638 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1797811734 UNPXVJILEFCLIY-RGCDKQNKSA-N 449.533 0.687 30 20 ICED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1)[C@@H]1SC(=N)NC1=O 1797838711 QIAGWLUTTZHCTN-HSXKOTTPSA-N 447.517 0.091 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c1 1798574115 PHDFSDUHBYNJKZ-HATOLVCRSA-N 442.516 0.492 30 20 ICED COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)c([N+](=O)[O-])c1 1799823659 ZKRFOFUVVKEXLO-VFFTVRQLSA-N 437.474 0.903 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccccc1[N+](=O)[O-] 1800909606 NZPYHPKUSFTFBV-DBWKPXFBSA-N 433.442 0.365 30 20 ICED 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]1CNC(=O)C1 1801675453 VZWXHOGPBKYRDR-ZOFXXKQRSA-N 432.521 0.677 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1F 1801869475 YSSOIMNSBZVMKU-CWPLJXCYSA-N 434.489 0.846 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991267 BIOPFFXKNHDKJC-LXTVHRRPSA-N 433.461 0.639 30 20 ICED 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)C2 1802124726 HYUPGZPJFHJCLO-AJYBTWMASA-N 448.564 0.588 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668420 VRKMFUXTKMDGQX-UONOGXRCSA-N 432.481 0.527 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826936704 YCKZTCWBXIXLLF-ROUUACIJSA-N 436.553 0.708 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399849 SIIONKHEUSNYEA-RHSMWYFYSA-N 443.508 0.637 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1830053440 RPMXTWXEYJOVLX-OAQYLSRUSA-N 431.493 0.141 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830867564 QPXLDTGQUAFKKE-WHIUHWMMSA-N 436.530 0.960 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3COc4ccccc4O3)CCO2)C1 1831233307 DCLHYRFRLOKYQZ-QYWGDWMGSA-N 436.530 0.991 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1831397262 WOJTZBDZJXNBMD-ZHRRBRCNSA-N 426.473 0.671 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1831401973 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WJMIWQIJRMWEOL-UHFFFAOYSA-N 425.445 0.430 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)cc1 1839361017 LRWXBKPALRMGHX-XXBNENTESA-N 440.500 0.349 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759620 CDSGHJXHDFZLTE-NRFANRHFSA-N 438.521 0.769 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1)C(F)(F)F 1839892992 ISISPANZOCKLCW-SFHVURJKSA-N 439.394 0.918 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1)C(F)(F)F 1839893188 RIWUSMVKKXZYDO-INIZCTEOSA-N 438.472 0.045 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)nc2s1 1840158446 LTAOHEZTRNGRFL-SGTLLEGYSA-N 439.563 0.416 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1840160717 QEOWPRMXZDKPFC-YWZLYKJASA-N 433.534 0.734 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(OCC)OCC)CCO2)C1 1840279775 AYLDSDOTELLENO-UTKZUKDTSA-N 426.510 0.270 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840294350 DLSDBSCJTQXYFK-HSZRJFAPSA-N 439.516 0.922 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378793 GPURRVYLOGJAIY-YOEHRIQHSA-N 429.568 0.308 30 20 ICED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840455636 RXRNJIBMJQDMKA-JTSKRJEESA-N 428.489 0.999 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882078 DURSKBRFQXJUCC-IERDGZPVSA-N 426.510 0.623 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1841055542 CJJVDUKKGYQKRR-FPLPWBNLSA-N 449.504 0.905 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845580915 HCISIKPESJAZDG-ZDUSSCGKSA-N 444.517 0.579 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1847228068 LBKTYFCVMHUUCT-LUKYLMHMSA-N 432.546 0.335 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 10792860 VWJAYVKUIBBSFT-UHFFFAOYSA-N 445.881 0.530 30 20 ICED N#Cc1ncn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)n1 14143010 WYUSKERTBRASLX-UHFFFAOYSA-N 445.505 0.410 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3cc(Br)ccc3n2)c1=O 29590411 SASQTSBKCPUMPQ-UHFFFAOYSA-N 446.261 0.362 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 434546499 HWDCZNKXWOQOOR-UHFFFAOYSA-N 447.439 0.643 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 434763268 DXAKRROTJSPXSX-KRWDZBQOSA-N 443.591 0.732 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](COC)[C@@H]2CCCO2)cc1 435289373 NBANNJFBVAJPFC-SJORKVTESA-N 425.507 0.742 30 20 ICED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 437723229 SLWQCANPVMUACH-WBVHZDCISA-N 446.504 0.912 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C)c1=O 443573390 HOZOOUZBPSYEPJ-UHFFFAOYSA-N 429.567 0.943 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 446522810 MEJOJRRFRHEWEK-UHFFFAOYSA-N 441.488 0.349 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCO[C@@H]2CCOC2)cc1 465324946 ZZPKXEAWZZMCNF-MRXNPFEDSA-N 425.507 0.743 30 20 ICED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 467284175 OOXDHNJGVQBMHL-TZQQIIETSA-N 431.541 0.268 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 473649287 CPKXFBNLPFHUGZ-SFHVURJKSA-N 434.518 0.563 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cc(F)ccc2C)c1=O 477275204 HXPVLZVTBIQWBF-UHFFFAOYSA-N 444.532 0.329 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OCC)n2)c1=O 477453010 FMBHDOQIAPCZMI-AWEZNQCLSA-N 430.530 0.768 30 20 ICED COc1ccc(S(=O)(=O)N2CC(NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)cc1 495697653 WCLSWHYGJWSJON-UHFFFAOYSA-N 428.470 0.486 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CCN1Cc1ccccc1 501590565 AYVXEBQKSMQXAN-RBBKRZOGSA-N 439.560 0.840 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCCC(=O)OC 501772326 FNIXDPKCJUUKJA-UHFFFAOYSA-N 441.509 0.677 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505429781 UEALLXXRSMKNTI-INIZCTEOSA-N 433.490 0.257 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 509444444 PWTVERRRYJIERI-ZDUSSCGKSA-N 431.496 0.380 30 20 ICED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 518079461 UTLILBFKUGWNFF-UHFFFAOYSA-N 441.410 0.718 30 20 ICED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 532711501 OVNOYXFDOLDCNZ-IPELMVKDSA-N 438.525 0.548 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 538170299 YEXKWAOWRIAAGG-MRXNPFEDSA-N 438.550 0.252 30 20 ICED C=CCn1c(Cc2noc(CCn3nc4ccccn4c3=O)n2)nnc1N1CCOCC1 546357158 VNLWNJULPGMIQM-UHFFFAOYSA-N 437.464 0.327 30 20 ICED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc21 561098955 IVMDSTGUDVPELV-OAHLLOKOSA-N 449.471 0.937 30 20 ICED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 578261786 ZEWKZXOZACSIHN-UHFFFAOYSA-N 441.532 0.346 30 20 ICED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 603614382 MRCIJDZHXDAOIW-INIZCTEOSA-N 431.880 0.645 30 20 ICED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 612201682 LPRJTYJRUKDILR-UHFFFAOYSA-N 432.477 0.523 30 20 ICED COCCN(CCC#N)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 615256533 PNRPUUFXTISJLA-GOSISDBHSA-N 430.461 0.028 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615633166 MCTYDPSVIJJASW-SFHVURJKSA-N 440.453 0.119 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(=O)N(C)C)c1=O 679753614 XVOIAMRBGBWQQK-UHFFFAOYSA-N 427.530 0.477 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3CCCCC3)nc2)C1=O 726043573 XXHGOPJLWPTPOL-UHFFFAOYSA-N 429.433 0.530 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCS(C)(=O)=O 729671609 QLFUCKQSNGSJOU-UHFFFAOYSA-N 440.493 0.961 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)cc1 741733059 DYNGOXGRFRVTGT-UHFFFAOYSA-N 433.511 0.709 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cn(CC(=O)OC(C)(C)C)nn2)c1 748890441 LDZMVXAHTFICGA-UHFFFAOYSA-N 434.474 0.888 30 20 ICED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 749737632 KDMXIUPJJCKZPQ-OQKWZONESA-N 449.533 0.519 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2cc(C#N)cn2C)c(N)n(Cc2ccccc2)c1=O 751733557 GIGZMUOGBVPIFW-UHFFFAOYSA-N 435.440 0.910 30 20 ICED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 754321004 WYHJNJVVDYWYLQ-UHFFFAOYSA-N 430.280 0.717 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 761029334 NMHRKEJEUGEEIR-UHFFFAOYSA-N 425.467 0.017 30 20 ICED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 776138828 PQTCFKKJQYWISG-BJIFSAINSA-N 432.502 0.785 30 20 ICED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777899076 JJMUNYCXQLUAJB-GFCCVEGCSA-N 445.475 0.915 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)n(CCC#N)n1 785219669 XBIZXNFBRIKDLC-HNNXBMFYSA-N 433.513 0.711 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785406773 IFMPSCZYUQDFDM-UHFFFAOYSA-N 434.474 0.989 30 20 ICED C[C@@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 786068625 CHDUFRFKKYEYMA-XHDPSFHLSA-N 429.389 0.495 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)c1 787805481 OLJBWLXFLLUMLH-UHFFFAOYSA-N 436.511 0.925 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 789797126 PZWNEQGFVLWRTI-LORYXUCWSA-N 447.517 0.177 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)nc1 803398780 QNKBDLPPCSJVBL-LJQANCHMSA-N 440.479 0.810 30 20 ICED Cn1nnc2c1C[C@@H](C(=O)[C@@H](C#N)C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 810534041 DFWODFYAQMQXQL-WMLDXEAASA-N 437.460 0.886 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1CCN(c2ccccn2)CC1 816127280 NKIRTKXNCCJNGV-UHFFFAOYSA-N 430.446 0.489 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)o1 820471267 QVVIVFNDGYDRQO-NEPJUHHUSA-N 429.451 0.106 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1296306915 TZLWANSWFADNDE-NRFANRHFSA-N 425.493 0.820 30 20 ICED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315403938 ZZWIKJWFGXKRRG-RBUKOAKNSA-N 435.481 0.945 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1508632030 MOIUABIZIYTDLM-HUUCEWRRSA-N 431.497 0.825 30 20 ICED CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1618844028 RPHOMRPMVRMQOT-UHFFFAOYSA-N 447.569 0.335 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620347441 UYRHKXXLFOZJDC-GRDNDAEWSA-N 445.542 0.447 30 20 ICED N#CCCN1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 1665044794 MZZXEUHOFOVEGD-UHFFFAOYSA-N 429.296 1.000 30 20 ICED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1698033256 LASQUWZHLIDNOW-KRWDZBQOSA-N 441.536 0.974 30 20 ICED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710903802 RMUGPBDAZMBCIP-UHFFFAOYSA-N 444.565 0.763 30 20 ICED CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727293570 QRERVCGCPZQWFH-DOTOQJQBSA-N 436.582 0.908 30 20 ICED CC(C)(C)OC(=O)N1CC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1741212014 VCHMWVDIHBJYLV-MRXNPFEDSA-N 445.524 0.996 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1770748846 SGRUTBIPOWATBA-GXTWGEPZSA-N 427.431 0.637 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1778954564 DLSVEASOPWMFLI-NYHFZMIOSA-N 445.495 0.777 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1778975153 MIWGQDOLJWVQRS-WMZHIEFXSA-N 445.564 0.735 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779312187 ZFMZQHUXCHHOIG-KNQAVFIVSA-N 428.489 0.082 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779553272 CNTFOIUMUNPFOB-WYADAEROSA-N 439.553 0.225 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362616 OEMLDYIPQWOALK-APPDUMDISA-N 431.415 0.840 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC3(CC1)OCCO3)C2 1782015370 JEBHSPMVROECIK-DYESRHJHSA-N 434.489 0.522 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782017435 KSPCKFWLICZORS-WZONZLPQSA-N 441.484 0.327 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197878 FZOUNFZOXWBBPR-DYESRHJHSA-N 443.529 0.992 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1783454908 KDEWSNXBFWCIOS-KKSFZXQISA-N 433.505 0.476 30 20 ICED Cc1ncc(Br)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557395 LJAKBDLUSMSLCX-GOSISDBHSA-N 436.262 0.684 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1784478646 DFJISXOPVSGSDX-DWRORGKVSA-N 430.505 0.153 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1785574754 RCIAISRWBVXNOX-XOBRGWDASA-N 432.481 0.165 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)c(O)n1 1785774132 OUPUKOUOYUARHB-SNRMKQJTSA-N 440.504 0.791 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1788655321 BAIWDMSUFFVJPS-IKWHRECTSA-N 433.465 0.305 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788746682 PUNLTYJHENXFKS-BCYZHJNNSA-N 431.533 0.962 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)C[C@@H]21 1791076660 CKLUIVKOZYPSPG-REPRORDYSA-N 426.494 0.942 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1792537689 GADHZWQNEDDWEP-NYUBLWNDSA-N 428.489 0.441 30 20 ICED 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 1793342700 ZVPSRBKIPYUJQL-LAVAIGHBSA-N 448.541 0.261 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2 1793344834 UCXOGUUXRRBEPX-GKICUZSHSA-N 427.501 0.878 30 20 ICED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795078672 KQASWJSOSQYVLE-SCAQPMJSSA-N 436.509 0.252 30 20 ICED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411369 KAJAESXYIOICCQ-NYCLONFESA-N 428.464 0.837 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797041427 OZLRIYRRANXUQT-JLVBRIDZSA-N 425.493 0.214 30 20 ICED C#CCCC(=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 1797120173 GGCXSWCJNTUKGN-IHEQNBGGSA-N 449.548 0.607 30 20 ICED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)c2c1CCC2 1797812513 UXCDCSSRKXRETF-UHXXWTPBSA-N 445.520 0.641 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(N2CCN(C)CC2)CC1 1799975761 AXVMZTNRZLYRSK-UOWARQBLSA-N 429.565 0.263 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801286348 ICLPNIWENRTUNT-NXIXHYNASA-N 443.548 0.815 30 20 ICED CN(CC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1806621895 ZMZJLPQLSWHICV-KNQAVFIVSA-N 448.479 0.682 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810278285 CUEFGFMXVXLJLH-XCGZVVKWSA-N 443.552 0.830 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)[C@H]1c1cccnc1 1812878507 JATIRXGNLKYZCT-VIZSFHNOSA-N 432.480 0.890 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814762551 OQYLJRGGBITJCA-GHMZBOCLSA-N 432.439 0.371 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(O)nc1O)CC2 1814978033 HOVSSDGJUKRODZ-JTQLQIEISA-N 445.505 0.852 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1819427178 DYUJNWNLZXCLPE-SZMVWBNQSA-N 429.521 0.823 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828524986 JPENJGZBYUZQNO-HSZRJFAPSA-N 443.500 0.553 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)C1 1829671362 ZAGNVYGQFHUYHQ-FHJLPGHOSA-N 431.533 0.810 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOCC=C)C2)C1 1829762444 KOPBGROVIPLRGG-KOIKXXGWSA-N 435.521 0.284 30 20 ICED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)ccn1 1830059409 ARYAQMFLCOTQGF-JOCHJYFZSA-N 444.488 0.878 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1831215341 IGZCDUYSPILNNB-QFIPXVFZSA-N 427.457 0.336 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1831391781 GMSJODXMAOMJJE-UZUQRXQVSA-N 440.500 0.682 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1831420325 WPENAHDHHBVGKV-OPAMFIHVSA-N 446.504 0.701 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1831432710 MDTKPKFZLNYDKH-FZONSQQESA-N 449.548 0.435 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831489663 FKTNBSVZWACGMB-ICSRJNTNSA-N 440.585 0.694 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1832447752 BKVMOXLZRKMTOL-QGZVFWFLSA-N 427.552 0.569 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833482778 GUKBFUZSVMNUDI-HNNXBMFYSA-N 449.577 0.752 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617213 DWVMUTXJCKICIT-QHCPKHFHSA-N 442.516 0.402 30 20 ICED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834767951 SMUBUWNESMIXEE-QFIPXVFZSA-N 448.520 0.924 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835104066 VEVWMWFGCBDGRU-URXFXBBRSA-N 441.528 0.799 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCC5(CC4)OCCO5)C3)C2)CC1 1835346706 QIHCJLQCWPUMRN-OAQYLSRUSA-N 433.505 0.680 30 20 ICED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835388351 NGACQFZXSAKQEJ-QFIPXVFZSA-N 432.496 0.648 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cn4c(nc3=O)SCC4)CC2)CC1 1836339223 OSQGNYHNICTCLR-UHFFFAOYSA-N 429.546 0.096 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)N1CCN(C)CC1 1836371328 PJCRFAARFLSKBO-IBGZPJMESA-N 429.609 0.607 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836447854 WBYNAULNYQZBBC-FQEVSTJZSA-N 431.518 0.947 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2)C(F)(F)F 1836874081 JBZMKTRWGBBXBP-GOSISDBHSA-N 439.394 0.918 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cc(C)cnc34)CCO2)C1 1836944050 HNXWKRNQZNKJBS-VGSWGCGISA-N 443.504 0.699 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837441925 JBGQMYJBHBLJHN-GQBVICOWSA-N 435.569 0.400 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490410 CPYKCCTXEDIDMP-QHCPKHFHSA-N 442.516 0.554 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)on1)CCO2 1838128979 XUNLUDIIHWCPQM-OAQYLSRUSA-N 435.477 0.816 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838581884 UNEZXSLXAMYAIZ-JOCHJYFZSA-N 439.472 0.534 30 20 ICED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C1)CCC2 1838740142 FVTGQJDXRMWYLZ-QFIPXVFZSA-N 438.488 0.492 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1839158578 JUNSEYVJPSKMMD-KKSFZXQISA-N 433.892 0.282 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(C)c3)C2)C1 1839174110 GPVWRHDNYOJAJW-JOCHJYFZSA-N 431.489 0.969 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839224333 ISSWWTDBDAXZPP-UGSOOPFHSA-N 425.511 0.596 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n(C)n1 1839227135 KEBCSBZNTKKFNZ-KKSFZXQISA-N 435.525 0.853 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578472 DXSBTPKXHQHNHR-HXUWFJFHSA-N 432.502 0.772 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)C1 1839806823 ZVCUGNVJABIKEQ-HSZRJFAPSA-N 439.468 0.152 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839960791 NCLLYKDHOKVITL-QMHWCDLVSA-N 447.532 0.847 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840605961 IFEVDXNMNRTVLI-KPYOPSEVSA-N 425.485 0.450 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819533 PVAWBNWGGHCEGP-NRFANRHFSA-N 440.460 0.134 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1840842027 IUXQKESXGILHIN-JOCHJYFZSA-N 425.489 0.830 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)C2 1841603265 JBALDGVPUCENEL-PNLZDCPESA-N 449.548 0.989 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842908053 WKGFPOWCJJDJCZ-HNNXBMFYSA-N 434.541 0.499 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022817 XGOFPKWXFXUHDE-CQSZACIVSA-N 433.534 0.896 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 26097861 HQFOMAHHOURQNB-JTQLQIEISA-N 434.522 0.817 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 108757332 KZWKTCJBNPPJKV-UHFFFAOYSA-N 448.574 0.973 30 20 ICED CCN(C[C@H](CC(C)C)NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[C@H](C)n1cnc(C#N)n1 409861562 UZLUSSBFZJGANB-PMPSAXMXSA-N 440.512 0.815 30 20 ICED CCc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410153377 YMGDJSDQOMHRLO-WMZOPIPTSA-N 436.534 0.630 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C)C(=O)N4CCCC4)CC3)CC2)o1 438514055 KBJZXJHYYATITQ-KRWDZBQOSA-N 443.552 0.132 30 20 ICED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)cn2)C[C@@H](C)O1 440118469 DSVWIRHZGXZCQX-HZPDHXFCSA-N 438.488 0.688 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1=O 440259518 WRQRFZRSBCRERF-GOSISDBHSA-N 428.489 0.651 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)C1=O 440271688 VEZZISRHCVPQIB-OAHLLOKOSA-N 436.896 0.991 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 442318489 BZXPKGGTGLYIRT-OTRWWLKZSA-N 429.429 0.847 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 444065840 SHDUSBSHNBYYAE-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 448282999 JUWZEAGSOVPGKE-OXQOHEQNSA-N 442.541 0.760 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)cnn2Cc2ccccc2F)CC1 469590711 KZMLETRUFDUYIX-UHFFFAOYSA-N 442.495 0.764 30 20 ICED COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472855391 HMSYMFWUTJKASS-UHFFFAOYSA-N 438.488 0.993 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCOC2)c1=O 478862146 WJGMWIWHKONMKW-GJZGRUSLSA-N 428.514 0.179 30 20 ICED COCCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C#N)cs2)c1=O 481038038 OHWSRGUKHWSNKU-UHFFFAOYSA-N 431.539 0.584 30 20 ICED COCc1nc([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 501923743 NECMVLZNSNQJTN-AWEZNQCLSA-N 435.462 0.540 30 20 ICED Cc1ccccc1-n1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502048241 LBWAVWWYTZUHBG-KRWDZBQOSA-N 449.536 0.739 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 502716919 UAYNYNVCHVDQLU-DLBZAZTESA-N 437.518 0.340 30 20 ICED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)o1 502730569 JZOKOYFHXSDTBK-QZTJIDSGSA-N 445.497 0.958 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)nn1CCC#N 504546582 GVWRAJPAZFFHLS-UHFFFAOYSA-N 429.525 0.591 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCOC2)c1=O 505660451 JMAPKXVFQRVSCM-HNNXBMFYSA-N 441.557 0.550 30 20 ICED C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508957468 ZXWDKDSTKMFKQP-IRXDYDNUSA-N 443.570 0.819 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 511384455 WYJMZUDHYSRWQE-UHFFFAOYSA-N 438.469 0.906 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)n1 512768753 IQZZYNQCLWUCDG-UHFFFAOYSA-N 448.461 0.847 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514329410 AMROFJRESWIEHZ-ZDUSSCGKSA-N 430.486 0.882 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 521309052 GROZTBFKGLLFOU-GOSISDBHSA-N 435.956 0.505 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC)c1=O 523743721 GZENQQPNDHIAMD-OAHLLOKOSA-N 445.541 0.609 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O 527279750 XDITUPJJLWCYRP-CYBMUJFWSA-N 429.473 0.341 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533061008 PLMSMZIERYYCLG-CGTJXYLNSA-N 427.592 0.739 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2CC)c1=O 533579558 TWCWCYFSHGPEOK-UHFFFAOYSA-N 441.513 0.575 30 20 ICED Cc1nn(CCS(=O)(=O)c2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCOCC1 534385365 NGDAONMASYQRFM-UHFFFAOYSA-N 438.531 0.866 30 20 ICED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1 559502623 BARPMWDQWGMSKS-UHFFFAOYSA-N 442.497 0.688 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 573592598 NRNJCKLONQBFBH-IHPCNDPISA-N 428.533 0.637 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 582024606 GCQOLVIWIVEEOJ-REDKUUPNSA-N 426.473 0.576 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 584491056 UNPBZADQUUWHPN-QZTJIDSGSA-N 448.470 0.817 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CN(C)CCO1 589138732 GTKLNPXUWDKJCY-WMLDXEAASA-N 442.476 0.290 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1=O 603675821 CZRZSHRPMOQBOB-CYBMUJFWSA-N 438.362 0.904 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCCC 604118603 PSYMAYHLQCMWIS-UHFFFAOYSA-N 445.566 0.919 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2F)c1=O 604269945 KAFZOQLEOMSOCI-UHFFFAOYSA-N 446.479 0.402 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(C)(C)CN(C)C 608911548 AOILZHZHDAIZTA-UHFFFAOYSA-N 448.614 0.825 30 20 ICED CNC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 730042853 OHNJEERLQAULCX-UHFFFAOYSA-N 427.417 0.524 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144331 JMKDTBICCDSTGZ-OJTMHJDUSA-N 432.594 0.696 30 20 ICED N#Cc1ccc([C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C(N)=O)cc1 734575256 WPUCCJXWIBBBPH-GOSISDBHSA-N 442.453 0.062 30 20 ICED CS(=O)(=O)Cc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 749245837 ZVLNAYBRKCZHMT-UHFFFAOYSA-N 435.527 0.976 30 20 ICED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752256949 LZJQWQKKIBZWJI-PFONDFGASA-N 432.911 0.713 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)Cc1ccc(OCC#N)cc1 759892206 CLOFLVKQLGPJTN-UHFFFAOYSA-N 433.442 0.969 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 770900036 ZSWYBHJLNSNSCJ-CHWSQXEVSA-N 428.536 0.044 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775533033 LMHVCBYQELEULA-ISPGYRLHSA-N 426.495 0.935 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)ccc2C)c1=O 777941284 OVLNIUZQESEFGD-AWEZNQCLSA-N 433.505 0.658 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2nnn(C)n2)cn1 783007659 XCKNEWSLTPGSCX-LBPRGKRZSA-N 441.481 0.377 30 20 ICED Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 785557438 CRTDIOPXLKZURA-FQEVSTJZSA-N 436.516 0.980 30 20 ICED C[C@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 786608788 IISBCQZGBFNELW-CQSZACIVSA-N 443.547 0.782 30 20 ICED CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 787502261 RMPLFJMCNZVBHK-UHFFFAOYSA-N 449.559 0.935 30 20 ICED C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C1=O 790354046 LZEJOPIQTIRJGD-APWZRJJASA-N 433.490 0.470 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)nc1 796663699 YTOOWTIMYBVECC-UHFFFAOYSA-N 443.489 0.300 30 20 ICED C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)CC1 800731605 LHJOVWDGCHEIPR-UHFFFAOYSA-N 430.534 0.258 30 20 ICED COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 807029349 DIUDUZLZRBBRTP-XCLFUZPHSA-N 434.424 0.397 30 20 ICED C[C@@H]1C[C@@H](C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C(=O)OC(C)(C)C 807978983 KJNHEQUFBPFWIE-OLZOCXBDSA-N 443.526 0.384 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(Br)nnn3C)CC2)o1 811452040 SIFMJFSGDPZLGX-UHFFFAOYSA-N 438.242 0.251 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250209 JILYLAGDXKFTKI-UHFFFAOYSA-N 437.472 0.190 30 20 ICED COCCN1C(=O)/C(=C(\Nc2ccc(CC#N)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S 814336525 WBQRPFCRJGJWEF-RHIYTYFCSA-N 434.449 0.819 30 20 ICED C[C@H](CC(=O)NCC(=O)NCCN1CCCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 817156859 BFQPSOZCCABDIG-MRXNPFEDSA-N 449.577 0.612 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 837284098 DSIYOZFSROBBRJ-UHFFFAOYSA-N 435.509 0.547 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)c1 918262544 RDNPXDUIDGFRAY-XQEBGNCTSA-N 434.474 0.881 30 20 ICED COCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1318487974 YTNONLDWXVRWEP-IAGOWNOFSA-N 448.501 0.425 30 20 ICED CC(=O)N1CCN(c2ccccc2CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318860527 OTHGTLYKVOLVCS-DQRAZIAOSA-N 425.489 0.888 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)CC1 1319811903 NWEAMBHRFHTGRG-RTBURBONSA-N 432.546 0.892 30 20 ICED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N(C)C)C1 1472574715 VVPOTEMPRCUVIL-HKUYNNGSSA-N 449.577 0.530 30 20 ICED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1494255142 ZZCZIGJEQLLNIO-HNNXBMFYSA-N 431.518 0.982 30 20 ICED C[C@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1494595759 ZGTBLKRIEFYNMM-HOTGVXAUSA-N 426.481 0.375 30 20 ICED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541889164 RGRQSLCZZOLYHN-ZDUSSCGKSA-N 440.551 0.235 30 20 ICED Cn1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC23CCOCC3)cn1 1627978960 PCIWMCMUOGHOEP-LJQANCHMSA-N 443.529 0.993 30 20 ICED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1697755836 MMEPQHFCLRATMQ-OALUTQOASA-N 428.493 0.819 30 20 ICED CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1709017263 IZDVRRAFLZXSDF-BONVTDFDSA-N 428.519 0.792 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1726405911 JBHBENJTSGEOAY-ZBFHGGJFSA-N 445.553 0.245 30 20 ICED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1747215318 XEVPWJDAHLJTRK-IBGZPJMESA-N 439.520 0.892 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1761482718 LJRZADURPPXWIP-RISCZKNCSA-N 441.455 0.824 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1768293684 NCKZDJRPQOMPRY-MAUKXSAKSA-N 448.549 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778778034 VBPGNSKZHTYWFW-CXCJJAAMSA-N 448.520 0.201 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852997 UQMPRKIQDHNVQG-YLJYHZDGSA-N 428.524 0.959 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778853716 HBLKTONAVAEMJO-HXUWFJFHSA-N 427.440 0.474 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778935444 BOPPGDXFVXPNJK-SZNDQCEHSA-N 449.508 0.162 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C(F)(F)F 1779061021 NCOYKPAPCQYXLE-IEBWSBKVSA-N 432.439 0.828 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1779104061 FMRQBIYDMUOCDX-AGDXKCLUSA-N 449.533 0.928 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779237672 WDPIJMCLRJPFIE-VGOFRKELSA-N 447.536 0.918 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779416817 ZPGFDFZIMQBBRM-JFSTXAPLSA-N 435.565 0.919 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779680947 UAWAJGXAAXBCEM-QKKBWIMNSA-N 448.476 0.740 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1NC(C)=O 1780214551 ICTVCOCNITVULC-NRFANRHFSA-N 429.429 0.185 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c(C#N)c1 1781173732 WAHDQDUUZCSWQQ-NRFANRHFSA-N 425.445 0.682 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccnc2C)C1 1781553468 DNLFTJKPNSKNEL-LHTVMBCQSA-N 429.521 0.564 30 20 ICED O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782449754 PEKDRCATKOZHQA-DTXYYNOZSA-N 428.493 0.894 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1782467326 IQNIEZWNWBETQH-JBYIUTFZSA-N 444.536 0.521 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783559130 WSMMINMAOHZLDE-YDFBLROQSA-N 447.488 0.304 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783991342 JIABCGQEJKUYRP-VGWMRTNUSA-N 436.509 0.155 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1784014294 ONAGBMBEWHVMKY-WCAVRKLYSA-N 441.484 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784307691 MSWHHRBMQQCBKE-HZMCUPMLSA-N 448.564 0.375 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@@H]21 1784474977 SFZCRRWMPUDHKL-LQJIQPLVSA-N 448.541 0.722 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c(C#N)c1 1784746878 JZJBNRNSASOJEZ-NRFANRHFSA-N 449.529 0.374 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc1C#N 1785192770 LNRIXTZERKRCPM-AVRDEDQJSA-N 442.472 0.897 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1786857166 CRPKVAKGCBKKSF-ZOBUZTSGSA-N 448.499 0.658 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978111 PMIWJZOLUOJEGC-ZOBUZTSGSA-N 426.477 0.205 30 20 ICED N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631202 BGTGEGWLEJNOIP-ULQDDVLXSA-N 436.578 0.681 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1788661186 FJDDCXCNAZAEAH-VTFOJQGUSA-N 447.492 0.364 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccc3Br)[C@H]2C1 1788961861 PIGVIUIGWHLLJB-OBJOEFQTSA-N 436.262 0.525 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1)n1cnnn1 1790330311 GTPLMDINHCJCDB-XJOINEQPSA-N 449.475 0.276 30 20 ICED 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YIWBHLGRTJEBNB-CQSZACIVSA-N 447.463 0.831 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 547714410 FTRLTBOUMJQNBS-UHFFFAOYSA-N 449.445 0.492 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C2CC2)c1=O 549550588 JLOWYHASVFUNIY-CQSZACIVSA-N 428.514 0.586 30 20 ICED CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCSC1 550838379 GJBXZGHTXGALDV-LAUBAEHRSA-N 429.546 0.723 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 553969265 ZMCFEDGPQZCXDV-UHFFFAOYSA-N 433.494 0.265 30 20 ICED COCC(=O)N1CCC(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 556595035 DZXXGFHLHIWWJF-UHFFFAOYSA-N 428.489 0.682 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)cc1 557719314 WZPAWQCHPPUTEA-UHFFFAOYSA-N 436.490 0.020 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 557846962 MRQRZSQUYNHREH-UHFFFAOYSA-N 444.584 1.162 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1C#N 559908931 RVZUPACIYOZWIV-UHFFFAOYSA-N 444.517 1.550 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2=O)cc1 563474878 WGGBUQYMQQJZIE-NRFANRHFSA-N 446.511 0.909 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)n(C)n1 574428671 CAVGZACQTSTWOQ-RTBURBONSA-N 449.515 0.187 30 20 ICED COCCN1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 577482402 DWTLNIFTUKAXHJ-UHFFFAOYSA-N 428.449 0.203 30 20 ICED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)nc(C)n1 583167472 WDWSSMLRBPKDKX-UHFFFAOYSA-N 448.531 0.794 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCN(CC#N)CC3)c2)CC1 609330836 YNKKCIVRZYKHCK-UHFFFAOYSA-N 433.534 0.257 30 20 ICED Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1C 611644440 GZEJWDFSZHZGGX-QUCCMNQESA-N 434.562 0.779 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2ccc(OC)cc2)CC1 728534851 WHJLVDYIPMGAQB-UHFFFAOYSA-N 427.530 0.867 30 20 ICED COC(=O)NCCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 733542105 DQDAVNHPLYMBKL-UHFFFAOYSA-N 431.405 0.744 30 20 ICED Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccn(CCC#N)n3)ncnc1-2 743168170 ATCMXKWBMGHTJB-UHFFFAOYSA-N 433.274 0.843 30 20 ICED CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 744459731 AXQLGVCBNOFUTE-INIZCTEOSA-N 437.474 0.958 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 754938159 SHPAYBXNOMGABJ-UHFFFAOYSA-N 445.501 0.808 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 755550442 JYGUHSTZBBAXGE-IMJJTQAJSA-N 432.481 0.876 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(F)c2F)c1=O 758059719 MQWWZKHLRZHNSE-UHFFFAOYSA-N 431.489 0.900 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 761755095 RVSGQRVFIJZAJF-UHFFFAOYSA-N 427.438 0.526 30 20 ICED CCc1nnc(S)n1CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 763427918 UVINMWHRCVCBHJ-UHFFFAOYSA-N 425.478 0.645 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cccc(C)c3)c2=O)cn1 772285951 VXXTVHNUFLYYGC-UHFFFAOYSA-N 435.509 0.770 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)O)cc1C 777290144 LRFZUIBLUZNHJQ-MOXGXCLJSA-N 439.534 0.929 30 20 ICED COC(=O)[C@@H]1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)[C@@H](C(=O)OC)C1 780352155 NGAQBSLXXXHUQK-IVMMDQJWSA-N 426.429 0.938 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cn3)c2)CC1 781059104 URFXOUXNJXQTJC-UHFFFAOYSA-N 427.486 0.736 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)nc12 782428637 VFARSQYSGJOOGU-UHFFFAOYSA-N 437.384 0.997 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 783048023 ZFYZMUVLONYELE-UHFFFAOYSA-N 430.552 0.345 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 783351279 XJKGYEIXQSUGMW-SFHVURJKSA-N 449.529 0.510 30 20 ICED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 786438150 CGBZMQNXRMWPFF-QGZVFWFLSA-N 439.520 0.592 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@](N)(c2ccccc2OCC)C(F)(F)F)CC1 787995552 LJKJYIBUCPDTEJ-LJQANCHMSA-N 426.439 0.695 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc4ccccc4s3)n(CC(N)=O)c2=O)cn1 788529591 ODIPBGVYNUCKTO-UHFFFAOYSA-N 449.517 0.729 30 20 ICED C=CCN1CC[C@@H](N(C)CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1=O 799177886 WYMUYYLOFDCQMO-WISAJEAXSA-N 443.529 0.953 30 20 ICED CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 808816755 VRKJIFCKCHILBP-MRXNPFEDSA-N 429.502 0.850 30 20 ICED C#C[C@@H](NC(=O)C(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1)[C@@H]1CCCO1 809312500 ZQYFWFXUBSOGBZ-ZBFHGGJFSA-N 442.472 0.998 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c(Br)nnn1C 816144020 HZXQUHLRZQLDGN-VIFPVBQESA-N 428.268 0.859 30 20 ICED Cc1cc(C)cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn(C)c3)c2=O)c1 839183695 AGIQYUMJFJWKIU-UHFFFAOYSA-N 449.536 0.611 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 886570213 DORAFAHIZUJYJL-COPLHBTASA-N 447.897 0.311 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1Cl 914652761 HBPDBRXXYQSNGD-JSGCOSHPSA-N 439.877 0.729 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2)[C@H](C#N)C1 1138108263 LIVSFBQWGQYMQH-IUODEOHRSA-N 426.470 0.979 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303004195 OCMDXRREPQCVQN-MGPQQGTHSA-N 443.430 0.221 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314133482 JDFSTXDXYJXXQW-JTSKRJEESA-N 445.568 0.879 30 20 ICED Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cc(C#N)ccn3)CC2)c1=S 1317758794 KITNYDDPPSNPIA-MRXNPFEDSA-N 447.590 0.975 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359082450 JKSXSACHRKGMGR-CYBMUJFWSA-N 449.313 0.725 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1442879697 NLQJEKZTOKTCQY-IBGZPJMESA-N 437.475 0.949 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1554869363 WPFBTKNXRXFKJO-VQIMIIECSA-N 433.490 0.232 30 20 ICED Cn1c(O)nc(N2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2)cc1=O 1558583434 WOPQKWPEIDEJNY-GFCCVEGCSA-N 448.277 0.894 30 20 ICED CCOC(=O)C1([S@](C)=O)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1559843910 SKOFQISDKGIGDA-JWRCQZCYSA-N 426.583 0.455 30 20 ICED C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21)/N=C1/NS(=O)(=O)c2ccccc21 1569093920 WLDUFPDZQNJYOB-XNRPHZJLSA-N 425.532 0.682 30 20 ICED CCOC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067568 WKNXKEYZAMUFJE-MRXNPFEDSA-N 438.531 0.923 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cn1 1651414226 IMALMSCCJAMBFE-PZJWPPBQSA-N 437.475 0.945 30 20 ICED CC(C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1692473393 SFCIHOYMZCDUMH-JKSUJKDBSA-N 427.575 0.690 30 20 ICED CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1696206968 NXOGTKCJXXWITH-UHFFFAOYSA-N 440.504 0.985 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708278630 IRQAZIMRUABNAG-YWZLYKJASA-N 431.518 0.837 30 20 ICED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1=O 1711278613 PTQODHBXQHIJPO-UHFFFAOYSA-N 429.506 0.131 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2(O)CCOCC2)cc1 1712880850 RBZOLEFXFNPKEN-KRWDZBQOSA-N 440.504 0.972 30 20 ICED Cc1ccoc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1761635584 QHBQOZRAPFYELV-ZBFHGGJFSA-N 436.494 0.290 30 20 ICED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC(=O)N1C 1763179120 RUBGPLFYFQBSSD-HNNXBMFYSA-N 425.493 0.874 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778355550 ZMRPZRXDQOQFNH-NFBKMPQASA-N 432.565 0.749 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778557373 LHYOVZFXZRMNMA-DYRFGFBLSA-N 427.505 0.521 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778736280 RQALIIZAPFAOLM-NRFANRHFSA-N 425.493 0.455 30 20 ICED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1779512668 FOXJMHFRKBHSID-AUSIDOKSSA-N 439.597 0.779 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780094699 VJCCUYGKOGWSNS-FQEVSTJZSA-N 429.385 0.061 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780173741 CTWZYLKMOGRIQF-DENIHFKCSA-N 444.488 0.161 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)c1 1780597723 WULSSMAALDSCLE-HSZRJFAPSA-N 448.483 0.646 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1780737997 MNONSPUTMDUPGE-RADWXHQJSA-N 437.537 0.877 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3c4[nH]cnc4CCN3C(=O)OC(C)(C)C)C2)C1 1782851334 YPBZXNDHYPTBKH-XMSQKQJNSA-N 443.504 0.707 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)cc1 1783440369 DTUMFJJSSWUCBF-UFYCRDLUSA-N 440.500 0.923 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1783530976 AKBWEAUKKDYAHS-MJBWGRTLSA-N 438.488 0.410 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783568102 MGLPMSRWIQMFNP-HXUWFJFHSA-N 433.848 0.830 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3OC)[C@H]2C1 1786009106 JWMASAMWSDYSEX-DOCOLBGOSA-N 428.489 0.542 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]c5c4CS(=O)(=O)C5)[C@H]3C2)C1 1787151177 KFHPUQAPPWDWGU-JDFRZJQESA-N 434.518 0.398 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCOCCOCCOC)C2 1793568175 BYEUNGCKICVFPQ-YSTOQKLRSA-N 440.537 0.359 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795351508 DCZKEEYOVPARTF-NOPNXLOXSA-N 444.492 0.407 30 20 ICED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3c(O)nnc13)C2 1796044989 JQRQBMLGVJDRSH-QDMKHBRRSA-N 425.493 0.969 30 20 ICED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1Cl 1797784315 USOWFEZHEQWYFL-JLVBRIDZSA-N 434.924 0.975 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1797784426 WZZRINOLEZEGMT-XEMDLRDOSA-N 440.500 0.308 30 20 ICED CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1F 1797808563 JNZFFEJDMWVYJA-YVOPZRTBSA-N 437.472 0.843 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21 1799070189 GGOKIDIKZUXMTP-FAQVEIGNSA-N 437.496 0.304 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)CC1 1804193885 GQSZVDFFUDZOMR-MJGOQNOKSA-N 445.545 0.122 30 20 ICED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1806016616 ZQQYOAWRDOWRQT-UHFFFAOYSA-N 425.570 0.487 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806852518 PAVWHUMDDVCRBG-CEXWTWQISA-N 442.472 0.886 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1807146137 WCKVNNNIVCVEHU-SJLPKXTDSA-N 435.550 0.414 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812392089 HGQJDDLEOOODPZ-CRAIPNDOSA-N 438.444 0.144 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)[C@H]1c1cccnc1 1812877959 SFZWVHJRBPFFFS-AOMKIAJQSA-N 447.451 0.858 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399847 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C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)C1 1832246415 FFTPGIPZMRGUPQ-INIZCTEOSA-N 438.374 0.764 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833330561 GZBQZBMHDMRXPP-OAQYLSRUSA-N 427.461 0.414 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835110873 ZPPHRUOWELWUBN-LIRRHRJNSA-N 445.589 0.774 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837112963 PUCYUTOKFDZLRQ-XXBNENTESA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837396677 KLGQDKRZEMKJSX-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837399624 YCLPEGALOADUGN-AUSIDOKSSA-N 442.516 0.977 30 20 ICED N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1837728690 SCOCWIBCJCSIGA-UHFFFAOYSA-N 437.544 0.877 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1838835051 HQTLRSDZZBFVLU-FOIQADDNSA-N 437.497 0.300 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1839681793 XHGIQGDHGXYLQB-GUXCAODWSA-N 426.466 0.043 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839844947 ZAXYKYDRQFUEJZ-VGSWGCGISA-N 427.505 0.940 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035820 GYQIDRXEUCGQOM-OWAUWMPXSA-N 449.507 0.766 30 20 ICED Cc1nc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2s1 1840042953 YCVNTTURDSDQHP-NRFANRHFSA-N 443.481 0.763 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840160850 VFRKESPUYTYEMX-BDJLRTHQSA-N 436.456 0.827 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840325063 CBVHMXQYMJJDDH-JHXRPTDYSA-N 432.525 0.270 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H]3CCOC3)CCO4)c2c1 1840538942 YPVMGRXVYZSOBI-KSFYIVLOSA-N 439.472 0.541 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594191 LSXCCZAAPLALAD-RETMYHCQSA-N 439.509 0.277 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818606 LOICSWLZFGOFOB-JPYJTQIMSA-N 443.500 0.985 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(N4CCOCC4)n3)C2)C1 1840842004 IBZBHAYDHKKFBN-QHCPKHFHSA-N 442.516 0.402 30 20 ICED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)c(=O)nc1O 1844284451 YHFYXAWIYRXEGC-UHFFFAOYSA-N 428.489 0.159 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512486 SFQBAXQKSOVJGQ-JONQDZQNSA-N 425.526 0.647 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CCC(N)=O 1847939165 BAWASNACHGTBTQ-FZKCQIBNSA-N 437.541 0.250 30 20 ICED CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662149 XSTJZMGDCZGUDS-ZDUSSCGKSA-N 436.490 0.736 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 29193756 WMRCPRHHASKWAR-UHFFFAOYSA-N 440.485 0.673 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)C1=O 409600781 RZMDLIITVBVBEH-UHFFFAOYSA-N 432.481 0.378 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CC1 441922074 LMTCRUBOPFZKDR-INIZCTEOSA-N 427.505 0.838 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)C2)cc1 442238072 BMTBCYTVMIOFPJ-AWEZNQCLSA-N 429.458 0.343 30 20 ICED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 442337232 SWJIQBZROOYOBI-UHFFFAOYSA-N 426.404 0.784 30 20 ICED CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 443050078 OGOJCUUOUWGPRH-INIZCTEOSA-N 448.526 0.940 30 20 ICED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCSC)c1=O 443573630 HXKZKEMQVDKNOQ-UHFFFAOYSA-N 445.566 0.643 30 20 ICED CC(C)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445986927 ZWAHWOROKXJXCP-GOSISDBHSA-N 447.561 0.238 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 446550789 GDFNALDWZGMQFC-MRXNPFEDSA-N 438.506 0.595 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccc(C)c(C#N)c1=O 460448074 ZYIPDURURMWQGI-UHFFFAOYSA-N 446.485 0.697 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 460733839 IUPMFKFNJOZXOU-CYBMUJFWSA-N 449.393 1.055 30 20 ICED CC(=O)N[C@@H]1CCCN(C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)C1 475761409 QOANOJIAOQHIPH-MOPGFXCFSA-N 448.545 0.855 30 20 ICED CC(C)N(CCCNC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)S(C)(=O)=O 475856490 HQNOKEPWSOKDJN-UHFFFAOYSA-N 430.552 0.501 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 477661535 LXDSGWIGTLAGJU-ZDUSSCGKSA-N 442.453 0.754 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)cc1 478729096 UCLKBGFQCFMUKE-UHFFFAOYSA-N 449.511 0.773 30 20 ICED Cc1ccc(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)NCC#N 479423999 NSCAJFCPABNMHW-UHFFFAOYSA-N 433.490 0.391 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 489015694 OUERPSGWEBXBNO-KGLIPLIRSA-N 441.534 0.988 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)cc1 494188486 KHRGTCDLWOYFGO-GOSISDBHSA-N 433.534 0.437 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 508009440 ZZYLCHXIHHMTDJ-YCRPNKLZSA-N 427.461 0.520 30 20 ICED N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 518262894 HDXNWXFCTPBDMH-UHFFFAOYSA-N 444.429 0.703 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1 520691349 JYAMDCWAHBEOQX-DOTOQJQBSA-N 434.518 0.821 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523183127 SFDNQEZFVHTGQF-UHFFFAOYSA-N 449.536 0.598 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCc1cccnc1 524334190 LJJSZNMIPDQGAE-UHFFFAOYSA-N 438.509 0.715 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 531851965 FEKFQQPCLFRQRL-UHFFFAOYSA-N 435.509 0.699 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 541146238 FQHLMJVYDRECFK-CQSZACIVSA-N 430.852 0.699 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3N3C(=O)CCC3=O)CC2)n1 546910563 ODPDLGFWVLKAJW-UHFFFAOYSA-N 432.440 0.894 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 551687926 CNLXPPOSGOPJOX-UHFFFAOYSA-N 444.517 0.840 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)cc1 559675476 JFOSHSVBGTZLSO-UHFFFAOYSA-N 448.527 0.750 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)n1 567654437 GSWQGTBIUXHXDX-QGZVFWFLSA-N 444.455 0.780 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 571815262 BFUNABMSLOZVNJ-PZJWPPBQSA-N 442.541 0.836 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 584076603 GGMMLUSJRKLXQV-OAHLLOKOSA-N 445.430 0.454 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)c1 584424700 OHUQMMJFOCPVAC-UHFFFAOYSA-N 431.540 0.288 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 585726865 YSCWSVQKWMHEFK-UHFFFAOYSA-N 437.504 0.964 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 587257349 CSPPREWIOJQRJZ-UHFFFAOYSA-N 444.536 0.689 30 20 ICED CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 587659299 KNIAZBMSWLDOFI-HXUWFJFHSA-N 439.564 0.277 30 20 ICED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(N)=O)cc1 589157352 VQJYETYRCJEIAZ-UHFFFAOYSA-N 435.509 0.467 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CC1 590999086 JPYHNGVLBJGIMA-ZDUSSCGKSA-N 441.509 0.685 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581316 BZSNVLBQGKYATC-SCTDSRPQSA-N 438.550 0.270 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C#N)C1 609268613 GSRHGOIFVMDUCN-ZFWWWQNUSA-N 449.938 0.173 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(=O)N(C)C 611114817 HFCSFGXWNCEMPF-UHFFFAOYSA-N 434.468 0.304 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c1=O 684535768 TZLHHGLYNXKVPZ-UHFFFAOYSA-N 429.546 0.894 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 728533097 ADBFTWWVZWEORD-KSZLIROESA-N 448.589 0.177 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC1 728533504 LEUQYTLKYIJRNK-UHFFFAOYSA-N 438.525 0.410 30 20 ICED CC(=NNc1ncnc2c1cnn2C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816655 OTCJZFQRZLWLOV-UHFFFAOYSA-N 437.507 0.925 30 20 ICED COc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c(OC)c1 732910607 RFZINBPAFFJVNZ-DZGCQCFKSA-N 449.485 0.023 30 20 ICED C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742908156 VBXCHKOBFIBPSX-XJKCOSOUSA-N 444.517 0.547 30 20 ICED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744036526 BDNALBDYRXFDPU-KRWDZBQOSA-N 429.454 0.593 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 749665416 AYPZSZVADXZKAB-UHFFFAOYSA-N 444.460 0.068 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2Cl)c1=O 758066842 DCHRTOUHRUZESB-UHFFFAOYSA-N 433.892 0.991 30 20 ICED C[C@H](CC(=O)N1CCN(c2nc(N)ns2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 758598235 ZABWNLJMPJXKDB-LLVKDONJSA-N 435.535 0.286 30 20 ICED CCN(C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1)S(C)(=O)=O 761159883 RBZGEEVUIGLOEW-UHFFFAOYSA-N 426.470 0.939 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)CC2CC2)cc1 766628851 WGQAMDYBSLDILO-UHFFFAOYSA-N 443.547 0.373 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21 769173564 WDIACKHTCYXANR-UHFFFAOYSA-N 428.426 0.365 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771412547 OLZPPPWEZLLCOF-BBATYDOGSA-N 436.262 0.897 30 20 ICED COc1cc(N2C[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC2=O)cc(OC)c1OC 776115923 ZCCHBPAUBLUDNO-LBPRGKRZSA-N 425.463 0.815 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 777385871 VLJXKSSSQKJNNC-QFIPXVFZSA-N 430.480 0.631 30 20 ICED Cc1nnc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)s1 780282333 IAUKOQYCDDJYGR-HMAPJEAMSA-N 436.519 0.914 30 20 ICED C=CCS(=O)(=O)CCNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 783537984 YEGZGLVKNRCCOY-UHFFFAOYSA-N 429.564 0.989 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 787787753 OIRDUUBPAJXMMJ-UHFFFAOYSA-N 435.488 0.264 30 20 ICED CN(CCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 788887729 CRAATMKJGIABBE-UHFFFAOYSA-N 430.509 0.975 30 20 ICED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 799845299 JLHMZNKRQGVMHI-QOGUTNHQSA-N 435.506 0.079 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)n1 804736313 QBHNDLOKSLBQDI-UHFFFAOYSA-N 431.537 0.253 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(CNS(C)(=O)=O)CC2)[C@H](C#N)C1 807110898 ZSTGEHBGRHLFIJ-HUUCEWRRSA-N 429.543 0.716 30 20 ICED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 807335645 LCYCPHGUFFSYON-QGZVFWFLSA-N 429.498 0.582 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 915477308 WLKJJDIEQZLAPP-CKFHNAJUSA-N 425.507 0.945 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 916200211 YXLOYZZCCMIGLV-UHFFFAOYSA-N 433.917 0.571 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1Cc1ccccc1 917777014 OZZQTFNGFADQGE-UHFFFAOYSA-N 440.550 0.989 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 918268606 GUJJBBJDJFEGBA-UHFFFAOYSA-N 449.515 0.817 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(C)(C)O 1303863950 XCUMJSMDNHXSIG-HIFRSBDPSA-N 425.559 0.226 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1315014283 VLRIUCPGKRZBAY-INIZCTEOSA-N 444.517 0.345 30 20 ICED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1354428038 JABWMARJBSNTLI-UHFFFAOYSA-N 447.521 0.883 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1440877826 ODQAKFOPRXDJKH-SUMWQHHRSA-N 435.531 0.391 30 20 ICED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1503281933 LMGFTTSWLGZUJN-MRXNPFEDSA-N 431.522 0.677 30 20 ICED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1517568686 WGOVZAAWHKNWTM-JOCHJYFZSA-N 441.536 0.758 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696095490 XYSVNQZSSYAULS-GCJKJVERSA-N 445.568 0.975 30 20 ICED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1747215321 XEVPWJDAHLJTRK-LJQANCHMSA-N 439.520 0.892 30 20 ICED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769109304 FVEUJMMCQUXQHN-INIZCTEOSA-N 428.541 0.349 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778009335 QPOVZGUHXCPKGP-QVKFZJNVSA-N 448.476 0.525 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018867 KMTSEYWLULPHMI-WDRHXJDGSA-N 430.549 0.987 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1779395388 YTJGNASCWFUTBF-WIYYLYMNSA-N 429.521 0.491 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780410389 VRPUVBRCESRWCY-SFGWALBWSA-N 444.488 0.750 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1781793611 PLBJLFWEOFZDFU-JOCHJYFZSA-N 435.440 0.998 30 20 ICED C=C(C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1)C(F)(F)F 1783203187 UMEZMXBCYGMMRV-SFHVURJKSA-N 426.395 0.760 30 20 ICED Cc1nc(Br)sc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561985 VGDJCFZXAQDWMT-MRXNPFEDSA-N 442.291 0.746 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1783769394 SIPWIGVWKBBCFG-IERDGZPVSA-N 441.525 0.295 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3)CCO2)C1 1783900766 OENFOHLEXTXUIL-KPZWWZAWSA-N 430.523 0.991 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352366 RBCSEVYVLBSYFR-WUXBAQBOSA-N 445.520 0.874 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21 1784482399 NJPQMPKXDNOZIY-IGGJEDBVSA-N 437.500 0.899 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)nc3)C[C@@H]21 1784482646 SIPILXKJFYSPQJ-WMEZAQDKSA-N 429.473 0.500 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]3C2)no1 1784536075 KTEWGFIPJDXRLM-DNUAJFIVSA-N 438.550 0.647 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1784536818 CUXVGSBPLZRXCT-HVMFNXBNSA-N 426.627 0.556 30 20 ICED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1)C(F)(F)F 1786977612 HYZDKVLLXBVVJH-GVXVVHGQSA-N 440.382 0.129 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788672178 XCGQUHBBJBCMBJ-OVWQWFNUSA-N 449.508 0.493 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789710164 ROFACPCIASEHSX-JURCDPSOSA-N 438.575 0.190 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)c1 1790228425 QYFRPPDBHUYHIX-IEZWGBDMSA-N 426.452 0.972 30 20 ICED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CCC1 1794113765 CYXMBDUFMJVBES-VWPFQQQWSA-N 441.488 0.276 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1795598380 DTPGRKALVYYCLQ-AJYBTWMASA-N 428.537 0.343 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795601241 WUGLTNWVIHSOGP-MTHXSQLBSA-N 446.548 0.613 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796616387 DIBLPTMBKJKLHU-DCXXXQMHSA-N 442.516 0.160 30 20 ICED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781620 XHEWZZYWWXEKOF-HGKCTWBKSA-N 430.505 0.331 30 20 ICED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1797913233 NFPNAWOSTUAXPP-JLVBRIDZSA-N 429.521 0.822 30 20 ICED 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 1801050512 REJFSVPHAFAGMX-MKOKDDGESA-N 443.566 0.266 30 20 ICED 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)n1cnnn1 1803094772 CIQDAWZERYENLU-KSWRQPAISA-N 445.524 0.789 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1803549434 XZDBUOCDBYEDFO-OGWOLHLISA-N 437.456 0.928 30 20 ICED O=C(CN1CCOCC1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1806907075 ZYFSPNXOAKOCND-KGOJFESUSA-N 442.564 0.891 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1807509798 VROMWHBAHCBAEP-YRTIDYAOSA-N 436.516 0.922 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)S)[C@H]1c1cccnc1 1810343842 VOJOXTBPFNSLNA-IEGACIPQSA-N 437.518 0.901 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCNC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1812874626 LSGGMBIYJZJRST-IERDGZPVSA-N 437.456 0.324 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1822922065 AGINRJMSMLFNOZ-NWDGAFQWSA-N 437.522 0.157 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829705148 CHJXMGLTQZOWDR-NRFANRHFSA-N 441.594 0.474 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1829766382 VSLDFOAHPFDBPY-ICTHTSFCSA-N 444.488 0.019 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1830463295 XESSXOBDCXGVSV-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1831386511 HAGISWRLXAMCQU-VFNWGFHPSA-N 435.546 0.797 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1831393907 RDXKUWVVWZJEOP-JTSKRJEESA-N 433.480 0.732 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831406755 CVXSZHXMEYMMON-QFIPXVFZSA-N 436.553 0.707 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419859 WDYCGBQRZAYKQC-GCJKJVERSA-N 437.537 0.437 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncccc3OC)CCO2)C1 1832855535 KYVLOIIIFLUVMX-MBSDFSHPSA-N 445.516 0.518 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1833824688 PSYFJLKNIWEPLR-ZJHLSYPMSA-N 443.460 0.394 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ncccn3)CC2)CC1 1834229748 UDZATIMCYUHIMS-PLNGDYQASA-N 426.521 0.520 30 20 ICED CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715593 TVHBRYIHYMXIEY-UHFFFAOYSA-N 448.612 0.708 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834953108 IFWKTBBMWLIURO-UHFFFAOYSA-N 437.504 0.941 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101396 AUTKQTXVFAYUAB-DEOSSOPVSA-N 435.480 0.716 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](CN)c4ccccc4)CCO3)C2)CCC1 1835824864 MCZCESSRLYRGFT-WMZHIEFXSA-N 426.517 0.879 30 20 ICED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170647 LAPLJIQECCKJGY-UHFFFAOYSA-N 435.550 0.506 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837308901 DAMQAFJXXPBUAG-IERDGZPVSA-N 432.525 0.544 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1837445160 HKNKHKQTSGILHK-XWRADEMYSA-N 446.508 0.027 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837489048 YMYCLOVXKVVQFR-HSZRJFAPSA-N 429.517 0.794 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)C(C)C 1837564194 BXFSOJXLEKHNIJ-IATMPQAYSA-N 449.504 0.743 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837632944 DDAYWSJVTDTJHP-IOUFHMPJSA-N 444.488 0.458 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1837885193 SCLQHWIYYVLVOU-QZTJIDSGSA-N 439.553 0.621 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1 1837955190 WVCINMTZLKKWSU-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838109597 ZQTBPQWGKZLBAK-NRFANRHFSA-N 426.429 0.830 30 20 ICED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)c2n1 1838488956 DLFWBLJBMORCAG-RNODOKPDSA-N 434.518 0.960 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736100 JKMNDWATXJNINE-FQEVSTJZSA-N 429.433 0.405 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1839174872 BKIQKVMCWGJQIF-NRFANRHFSA-N 435.452 0.800 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)CC1 1839229239 FQIFSPGNDUJEME-XMSQKQJNSA-N 438.569 0.976 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839618563 NPMKHWUKXANKCL-ZHRRBRCNSA-N 444.463 0.582 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1839809836 NRDBIJSQIKWUJZ-IEBWSBKVSA-N 437.290 0.572 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1840736209 MIQHGTADDVMXFQ-FQEVSTJZSA-N 436.848 0.507 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840819824 HODHZGDBGNWVGK-OAQYLSRUSA-N 442.428 0.401 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840885363 CDCOGORMJPWJQG-OAQYLSRUSA-N 432.477 0.546 30 20 ICED CN(CCC#N)S(=O)(=O)NC1C(C)(C)C(NS(=O)(=O)N(C)CCC#N)C1(C)C 79060941 DSCUOAZUHXVQLH-UHFFFAOYSA-N 434.588 0.149 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@@H]1CCOC1 441940148 DLMCBCPXSCGHPI-SFHVURJKSA-N 439.537 0.898 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(O)CCO[C@H]3C)nnc12 447739682 FXYKPGTUHPGKDF-RBZFPXEDSA-N 429.502 0.978 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461387836 SPIUWMPVCKTJFK-OAHLLOKOSA-N 449.479 0.889 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464819496 BQOILOVPRNITPX-HNNXBMFYSA-N 435.554 0.773 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 475356908 ODFIQYRIGQPMCG-LJQANCHMSA-N 433.468 0.581 30 20 ICED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 476171233 XDXHQOLRKLSBGF-FQEVSTJZSA-N 426.517 0.735 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)nc1 477036531 TXZSSKKNLXWYMB-UHFFFAOYSA-N 435.531 0.384 30 20 ICED Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 477665808 SXTDTYCXHQZCLI-OAHLLOKOSA-N 446.533 0.512 30 20 ICED CCc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482393585 WSKOMSIUHYSMFX-ZDUSSCGKSA-N 434.547 0.988 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 485074024 QAIWOAUNFDYBBT-FOIQADDNSA-N 437.518 0.838 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486614302 FZHJLPOJOHVNOG-GOSISDBHSA-N 434.518 0.769 30 20 ICED C[C@@]1(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)NC(=O)NC1=O 488257909 CSHQWPOGMFYUMU-JTSKRJEESA-N 438.488 0.679 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500634474 BCFWLWDKOKTSAD-CQSZACIVSA-N 425.283 0.411 30 20 ICED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C1 508995488 HJOWYURBUVBLCK-OKILXGFUSA-N 435.506 0.048 30 20 ICED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)cc1 520647624 XDZAHFSTCKOOGS-KURKYZTESA-N 444.513 0.805 30 20 ICED CN(C)CCNC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 520784874 WTWXXNXUEPOTPF-UHFFFAOYSA-N 443.529 0.444 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cnn1-c1cccc(C#N)c1 525964165 QJLAWKGJOBCRAU-MRXNPFEDSA-N 444.517 0.785 30 20 ICED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 532894142 NZQRPDKQHGGVMZ-QGZVFWFLSA-N 434.562 0.654 30 20 ICED COCCN(C(=O)CN(CC#N)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533406996 AXRTWPUMALRRCB-UHFFFAOYSA-N 426.477 0.547 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC(N)=O 537740555 VNAASKBPDPMSRU-LLVKDONJSA-N 444.469 0.430 30 20 ICED COc1ncncc1NC(=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 542084503 SNDRPWPNORXXEI-UHFFFAOYSA-N 438.423 0.951 30 20 ICED COC(=O)c1cn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 551356843 YURSSQAKCLHLFU-UHFFFAOYSA-N 446.489 0.153 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 553669962 QXFGGHUWHIXXQG-UHFFFAOYSA-N 438.525 0.425 30 20 ICED Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc1S(N)(=O)=O 554870844 KHRJABDMIIKKLP-UHFFFAOYSA-N 427.533 0.482 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1-n1cnnn1 555547813 UWTYEJVHFWKVNP-SFHVURJKSA-N 444.455 0.698 30 20 ICED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 563980731 MCQPDFNHSOYFIG-UHFFFAOYSA-N 442.501 0.457 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CCN1Cc1ccccc1 566933143 YICZBDMERUNFBU-YPAWHYETSA-N 439.560 0.983 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 568691767 SNPTXSXELFUYHN-CTNGQTDRSA-N 442.541 0.836 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1 570401488 UKUVVXHIOJMHTJ-QJLUDVRWSA-N 430.468 0.703 30 20 ICED CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CCSCC1 573024807 IOKZVDFTGZXISJ-UHFFFAOYSA-N 441.517 0.938 30 20 ICED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 574718699 QUPJKNJBLOBEOU-PXNSSMCTSA-N 434.500 0.995 30 20 ICED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 575155697 WFYJKNXNWFAFCY-WMLDXEAASA-N 427.505 0.931 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C2=O)cc1 588866132 BQWGACLBEMTAGB-WOJBJXKFSA-N 439.516 0.493 30 20 ICED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C 609940693 UCQDRJDJPGCVLG-UHFFFAOYSA-N 442.501 0.505 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 610807174 SUCVLIOFPGLZCH-APWZRJJASA-N 433.578 0.852 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2=O)cc1 617091885 OBUIGBRXQDUANU-IBGZPJMESA-N 431.452 0.700 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1F 728402937 GKWCHNPQCJVPGY-UHFFFAOYSA-N 441.444 0.929 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 728532574 CERXEHICBJPPBQ-GOSISDBHSA-N 446.935 0.847 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 728686687 VXJCYDIETHFNJO-NRFANRHFSA-N 445.995 0.960 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)N1CCNC1=O 744594634 SXTVZWISOFGXQB-LRTDBIEQSA-N 426.429 0.635 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 758050737 HXHUYOIJZFBRNZ-UHFFFAOYSA-N 443.550 0.222 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(Cl)c(F)c2)c1=O 758075968 CEKDTHWNSAFFPF-UHFFFAOYSA-N 433.892 0.991 30 20 ICED COc1cc([C@H](C#N)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc(OC)c1OC 768140175 DWMQWMKOELGLHE-AWEZNQCLSA-N 432.458 0.891 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486942 RXAIPQQRDQJMTB-AWEZNQCLSA-N 445.461 0.658 30 20 ICED C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)[C@H]1CCCO1 775328228 KEQZZYHEFIKQJZ-GVDBMIGSSA-N 428.532 0.065 30 20 ICED CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)CC(C)C 789933816 LFVWNBOUHKVUBD-INIZCTEOSA-N 447.540 0.526 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815861632 RDIILBXEZBQLDA-PTGBLXJZSA-N 433.534 0.509 30 20 ICED CCc1noc(C[C@@]2(O)CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 856711608 ZVRXVFKEDOOTCY-IBGZPJMESA-N 433.490 0.378 30 20 ICED CCn1c(CCC(=O)[C@@H](C#N)C(=O)NCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21 916892887 RVUNHLHUUBCBLZ-OAHLLOKOSA-N 449.533 0.711 30 20 ICED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917761017 NBIBSHBKYIYWLL-AWEZNQCLSA-N 431.562 0.925 30 20 ICED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1295083678 JTGKOOICFLUJFE-OAHLLOKOSA-N 425.493 0.874 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1299301853 OWQKIMMYHSQEAS-QGZVFWFLSA-N 431.522 0.471 30 20 ICED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314559523 HYBXUYSMXBSFQS-HKBQPEDESA-N 444.565 0.778 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1316127347 VMENEHGUAFWZQD-JOCHJYFZSA-N 425.537 0.652 30 20 ICED C[C@H]1CCS(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1326376797 YTZUMYFJVDPYGO-HNNXBMFYSA-N 439.559 0.995 30 20 ICED O=C(C#Cc1ccc2c(c1)OCO2)NCCN(CCO)C(=O)C#Cc1ccc2c(c1)OCO2 1327102077 DZXSKFHLWPWMEY-UHFFFAOYSA-N 448.431 0.484 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C[C@@H](C)O1 1462807797 UDMBEXACBPYPIU-IYBDPMFKSA-N 442.563 0.413 30 20 ICED CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNS(C)(=O)=O 1495726175 ZGGCQIGUYLHNBI-CQSZACIVSA-N 449.585 0.581 30 20 ICED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1503292392 VRJAHBIBMYJKLM-PBYQXAPXSA-N 430.534 0.927 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CCO1 1503783141 OQQIZJIMRZTNAP-SFHVURJKSA-N 440.504 0.985 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1547259477 HSADUJKHZBHFFL-GOSISDBHSA-N 439.520 0.776 30 20 ICED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NC(C)C)CCOC1 1616253683 UNPXTQCDOGTHAI-UWJYYQICSA-N 431.541 0.631 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cn1 1641230170 RDQMOKVPZVDMEI-UHFFFAOYSA-N 427.486 0.879 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)C1 1706933435 FBSQITNRUQMZKO-QFBILLFUSA-N 448.553 0.707 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1767485416 VSQMKSIQSFYVCU-LAUBAEHRSA-N 434.541 0.770 30 20 ICED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1769900909 SCPIRVFPBCKIDU-JOCHJYFZSA-N 439.520 0.178 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708716 NYHZMYMQBGNLHJ-RCDICMHDSA-N 427.457 0.856 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697614 OSLBJENMCBEIRX-SIKLNZKXSA-N 443.456 0.497 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195487 CCGLDIMJVWSVMP-PEBXRYMYSA-N 438.488 0.745 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783112859 XGQQYZBUCRATIC-QYWGDWMGSA-N 425.526 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3ccccn3)C[C@@H]21 1783531749 UMLIFAVVKJYVKW-YSMJTFFMSA-N 441.532 0.720 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c1 1783914904 APWHVNMTNFJZJB-BJLQDIEVSA-N 435.484 0.868 30 20 ICED C#CCO[C@H](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 1784481722 VYRYIFIKRDVGHF-MUJBESKKSA-N 434.533 0.984 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1785574689 OEDNGSAMHJQMHV-JKSBSHDWSA-N 432.521 0.261 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)Cn5ccnc5)[C@H]4C3)c2c1 1786161225 XVNMPSXZMXBMHK-IEZWGBDMSA-N 433.472 0.925 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1c[nH]c(=O)cn1 1789295793 CZKDAYLFFCTFDE-BQFCYCMXSA-N 428.489 0.062 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789768207 OOORZRKBZUHJGR-NADOGSGZSA-N 433.549 0.958 30 20 ICED C=CCC(=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 1789810014 NNXHQPHPNWHAHE-AVEIZBFRSA-N 437.537 0.770 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792424042 BYUGGQBHJHSECW-PIKOESSRSA-N 444.488 0.145 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccnc2C(N)=O)c1 1794265700 CLPHKTKBXNLHCL-RMFSNUHRSA-N 447.495 0.888 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795203805 CUIGPTYAWYVJQU-SFNKJDCFSA-N 437.537 0.919 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2ccco2)c1 1795847549 OCAGDDJISUFVSY-YVWYUNDQSA-N 440.431 0.924 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cnn2cccnc12 1797367719 IHACPMDAQDYTKD-WIHHOWHQSA-N 442.476 0.462 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1797652176 HNQWERKBFQYEOA-CXUGJCBMSA-N 443.548 0.815 30 20 ICED CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COc2ccccc2C#N)C3)CC1 1797840541 ONLFWTYIWRYBAC-ACDBMABISA-N 425.533 0.823 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797910920 GJGLRUZLQZHHLK-HGKCTWBKSA-N 434.562 0.796 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798412472 YSIKEGCFIMUYRU-VZAMPYOESA-N 436.559 0.914 30 20 ICED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1800108696 NJHVJPWJDGRFKX-REPLKXPHSA-N 434.537 0.298 30 20 ICED COc1cccc(N2C[C@@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)CC2=O)c1 1800982040 VOPFYXGTUYYSDK-HWEQFAERSA-N 447.557 0.956 30 20 ICED 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[nH]nnc1C)C2 1802127479 PZLQVNLRCWGXHO-IVSAIRAKSA-N 446.508 0.233 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)ccn2C)[C@@H]1c1cccnc1 1802488758 ZSBJNBFNNRDSTQ-NBBDWSPISA-N 449.511 0.958 30 20 ICED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1)C(=O)O 1807146094 VIGCOWGWLRSMLA-LMMKCTJWSA-N 444.536 0.432 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1808465268 YZBXWDLCYIZDPU-QFBILLFUSA-N 432.477 0.953 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815063358 CZDRAINYNSZMCW-KGLIPLIRSA-N 426.502 0.833 30 20 ICED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1)C(=O)O 1819951837 OHOUXVYVVFPRHD-QIWKNZLWSA-N 433.490 0.830 30 20 ICED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(C#N)c3)sc2C1)C(=O)C(=O)O 1822033036 IDTDCVHZWLGEBF-CYBMUJFWSA-N 441.469 0.784 30 20 ICED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322834 IWWZZXRVOHZOIL-OAHLLOKOSA-N 440.566 0.325 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)c(C)n3)C2)C1 1829764933 ZDBLHXUTPYEYJN-YLNCNTMDSA-N 442.516 0.627 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1829887622 ZDZYZWFMBSYLFB-QFIPXVFZSA-N 435.569 0.066 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898868 KRRQYWIDWZTKHZ-HXOBKFHXSA-N 442.516 0.472 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339315 QWGWWJNNYQHKSF-HTAPYJJXSA-N 432.473 0.266 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830461734 ZAKMZVHELVVSFE-HTAPYJJXSA-N 428.489 0.082 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1830670931 VFIZBFSKMREDSE-CRAIPNDOSA-N 437.493 0.537 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccnc1 1830981574 XVKCMQRHKFWTHP-RSLVCRIZSA-N 449.508 0.430 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1831388355 RKVFYCAKMLZPFH-HCLVMJGWSA-N 446.500 0.223 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1831399686 YZPDPLACGFSMMU-OPAMFIHVSA-N 444.463 0.582 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1831413737 GLMPNQCVAHAPBU-SIKLNZKXSA-N 439.553 0.730 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1831431653 GCYNPEBPQQKWJE-IIBYNOLFSA-N 434.493 0.536 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833180292 DJDVDUHWXNTXGK-HKPHNFCXSA-N 442.516 0.329 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1834714882 YLYJWBQHHCULPW-UHFFFAOYSA-N 443.552 0.649 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1834766910 DPFRMJMGWNTIQP-KPZWWZAWSA-N 441.410 0.513 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1835183743 DOTKXQZMOAXIME-HXUWFJFHSA-N 435.502 0.139 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835361567 QOVCPNMGTIVXAD-HXUWFJFHSA-N 432.433 0.983 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835374609 CWBDVAICVFCPPD-QFIPXVFZSA-N 435.569 0.211 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C1(O)CCC1 1835667290 ARTYMQJLBXNASE-UTKZUKDTSA-N 436.553 0.276 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835681427 WWGPLOZWMFPBCR-DYESRHJHSA-N 438.594 0.868 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835768746 DMFXOCCWAMOFPW-IXOWOOARSA-N 448.524 0.830 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190893 CJCFPUQHMUIVFM-JOCHJYFZSA-N 431.489 0.590 30 20 ICED NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836825993 YIMPKGPBNHHHHU-UHFFFAOYSA-N 425.489 0.601 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837399344 QVGCKOLRMDLNNH-OIUBOPETSA-N 433.505 0.728 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527589 QHUYFJJXZDAVHT-ZLTNTPEESA-N 440.541 0.360 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837588971 MKEILYQPSFBIIP-NRFANRHFSA-N 434.493 0.226 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629795 MNMYVTAKWUXZGS-VGOFRKELSA-N 446.504 0.050 30 20 ICED Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838204231 IKFDQAXUDBKEFA-MVASEBFSSA-N 436.465 0.582 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838471623 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1839228649 KVYSYFMLEDHHSK-XMSQKQJNSA-N 449.552 0.837 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1839451471 VDDKENMWAFHZCG-LAUBAEHRSA-N 428.445 0.045 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnc[nH]5)C4)C3)c2c1 1839487310 AQZHPXHLNSLKSC-NRFANRHFSA-N 435.444 0.541 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561060 ZMPPKPAACHJEGY-AUSIDOKSSA-N 442.516 0.977 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622765 SXFXNLJDEQFPIZ-QHCPKHFHSA-N 443.548 0.592 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839889363 QVUMIOCUIHMWBS-HNAYVOBHSA-N 439.463 0.945 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CCCC4=O)C2)C1 1840042558 AUOCXFCWZZOQOP-QHCPKHFHSA-N 440.452 0.364 30 20 ICED O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1840799000 KONMTTBXZJQKIV-DEOSSOPVSA-N 439.512 0.676 30 20 ICED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840800995 DVJOFDCSVOWXBR-NRFANRHFSA-N 438.525 0.907 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814436 JAXACZKFRWXEDX-OAQYLSRUSA-N 430.509 0.797 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1840843220 BLLDHLJYVFIVHG-UZUQRXQVSA-N 445.491 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1841054009 AUCUBTUJVYMLMK-FPLPWBNLSA-N 446.529 0.302 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841745476 FBAIXYOTASCBAY-CQSZACIVSA-N 449.508 0.211 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1848073297 OUUHISLHPRALHL-VDGAXYAQSA-N 444.557 0.859 30 20 ICED COc1ccc([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)N2CCOCC2)cc1OC 196431855 FSLCSGQKYUCUAB-MRXNPFEDSA-N 429.477 0.458 30 20 ICED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Cn3cnc(C#N)n3)cc2)CC1 426442265 AABYCNXDZCJOCZ-UHFFFAOYSA-N 425.493 0.052 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)C1=O 440257656 POSCCZLLEQTFQX-QGZVFWFLSA-N 425.489 0.913 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1=O 443576951 LHGFIPSWUGOOSB-UHFFFAOYSA-N 449.470 0.859 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1CC(C)(C)O 445192037 PLYGDIJJWMWGQH-CQSZACIVSA-N 428.468 1.125 30 20 ICED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 447772540 KPMYXGBPUAHTGB-HNNXBMFYSA-N 432.543 0.867 30 20 ICED CN(C)S(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 462730309 GOWKKYBNVBNUGW-UHFFFAOYSA-N 437.501 0.588 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@]2(C#N)CCOC2)c(O)nc1=O 478638053 IRQYBDGVOJQYDP-NRFANRHFSA-N 448.524 0.899 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1C 488074282 YNUQTAYUARNQJE-UHFFFAOYSA-N 428.478 0.547 30 20 ICED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 488222325 UDSLTRCWYQOBNW-YESZJQIVSA-N 430.571 0.346 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 488312993 MEVUGXDNIBBMFP-XEZPLFJOSA-N 443.460 0.336 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2=O)n1 491188794 RQRBSTSEIQXXPE-MRXNPFEDSA-N 447.459 0.182 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 495327875 IUQKLIKYVSUUTI-UHFFFAOYSA-N 443.485 0.502 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 497493430 GZCGHIXGHVELTQ-UHFFFAOYSA-N 428.518 0.082 30 20 ICED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 504755244 HJGKVFVARLYNRB-AWEZNQCLSA-N 440.909 0.803 30 20 ICED CN(C)C(=O)Cn1cc(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)nn1 507049841 GQHXMWDWONTEKD-INIZCTEOSA-N 449.475 0.274 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 508839660 GWJUPQLPAGYGLJ-INIZCTEOSA-N 447.565 0.835 30 20 ICED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511429089 ZSYFQIIYIXTIRH-UHFFFAOYSA-N 438.535 0.611 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512754267 BUAOVWJGBMSBIT-UHFFFAOYSA-N 427.440 0.148 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1C 515943773 VTJKRJQFFHAVJL-UHFFFAOYSA-N 442.501 0.457 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 516374930 FZZUMCIYDAUEKL-UHFFFAOYSA-N 438.553 0.990 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 521608190 PEMURPAMBQIYSI-AWEZNQCLSA-N 448.501 0.846 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 523026902 SBEGTGDUQSWRAF-UHFFFAOYSA-N 431.474 0.896 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cscn3)c2=O)cn1 524275043 HOSCVFJRIADLKS-UHFFFAOYSA-N 425.495 0.541 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1ccccc1CN1CCOCC1 534832379 PKQKBPLJMYVERJ-UHFFFAOYSA-N 425.537 0.877 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 536112100 IHTVSMJMGHMJDA-UHFFFAOYSA-N 444.469 0.208 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CCC 542932067 NBFYNLAEPYSIQB-UHFFFAOYSA-N 441.509 0.677 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C 546780741 HGGSVEJCZDOPKK-UHFFFAOYSA-N 445.497 0.230 30 20 ICED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548042694 MRWFCLFUTSXVGK-UHFFFAOYSA-N 449.445 0.492 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 550643499 SPNXIIKTBGHGSI-UHFFFAOYSA-N 433.516 0.778 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)ccc1[N+](=O)[O-] 552304989 NLAGUJDVLRFDIM-UHFFFAOYSA-N 426.454 0.943 30 20 ICED CN(C)CCN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 555108900 JDWGPMCKOIIUCN-UHFFFAOYSA-N 435.594 0.959 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)CC1 557768736 VXDGXFBKEGMNOC-KRWDZBQOSA-N 448.568 0.968 30 20 ICED CN1CCN(CCCCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 559834520 IALJOMVAAJIGNO-UHFFFAOYSA-N 440.592 0.736 30 20 ICED Cc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 574831528 UUEYNUBZXGFUEC-GOSISDBHSA-N 432.502 0.928 30 20 ICED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 580117905 YXAANTCJLGCAJD-AEFFLSMTSA-N 426.473 0.972 30 20 ICED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 584622067 HATAIXRNLGSDMP-WOJBJXKFSA-N 441.532 0.248 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1C1CC1 590997040 QQGHXNHAVZEVCG-UHFFFAOYSA-N 440.525 0.859 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)n(Cc2ccco2)c1C 603555158 NTFUJYNCBLKNDF-UHFFFAOYSA-N 448.549 0.980 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 609620181 SVTCUDOOQYUSCB-QAPCUYQASA-N 433.534 0.379 30 20 ICED C[C@H](C#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 609840273 CPSBTTNCBHYKSI-GFCCVEGCSA-N 428.898 0.917 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 611611960 ZAQLZGOSTBDOAH-QZTJIDSGSA-N 426.452 0.879 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(=O)N(C)C 618093533 DJFATRJKUNRHQE-UHFFFAOYSA-N 446.960 0.989 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 729256612 COPIRSUZMFYCAB-UHFFFAOYSA-N 448.545 0.033 30 20 ICED CCOC(=O)C=c1sc(=Cc2cccc(OCC#N)c2)c(=O)n1CC(=O)N(CC)CC 730151968 VVJNKZBBIKDZFG-UHFFFAOYSA-N 443.525 0.853 30 20 ICED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN([C@@H](C#N)C(C)C)CC3)C2=O)c1 731847617 YFIDUUMCLBVLST-AVRDEDQJSA-N 442.520 0.659 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCCSC)c2=O)cn1 732562627 GLGVMTHLMFNMNW-UHFFFAOYSA-N 435.575 0.145 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)cc2C1=O 732620039 JDEZLPWOHQKRJL-UHFFFAOYSA-N 427.438 0.995 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](c2ccccc2)c2nccs2)C1=O 733477560 LWQKQTXCIDCQQA-MRXNPFEDSA-N 442.453 0.869 30 20 ICED CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 741442780 ODDZKEIEEQYOMW-JKSUJKDBSA-N 426.539 0.420 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744727370 ZFINBYJJVJNMQF-CHWSQXEVSA-N 428.463 0.843 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 753887675 VAIPFVLTVGIJRN-LSDHHAIUSA-N 435.502 0.727 30 20 ICED N#Cc1ccc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 763241498 OIDPIFZRKDJZAI-IBGZPJMESA-N 442.497 0.929 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CC2CN(S(C)(=O)=O)C2)C1=O 777460990 STSXPKQLGULHNH-HNNXBMFYSA-N 440.547 0.654 30 20 ICED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 779546854 MQTDMSZJFGEDQJ-RTUXEJRESA-N 449.533 0.550 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)c3cnn(C)n3)nnc12 791473748 QQRMKLGMQRISQN-UHFFFAOYSA-N 439.457 0.877 30 20 ICED N#CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 796274884 AQTIUYWQBYXCDW-UHFFFAOYSA-N 432.414 0.973 30 20 ICED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 799288283 XTZXXDCROOHZHD-CQSZACIVSA-N 427.910 0.954 30 20 ICED COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 802412817 RSRLUKMVQULADR-MRXNPFEDSA-N 447.565 0.729 30 20 ICED CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 804755494 ZFZKTZUPGZTZJE-UHFFFAOYSA-N 428.493 0.585 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 804893111 MADNQTYNMULJRH-UHFFFAOYSA-N 426.461 0.183 30 20 ICED C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC)c1 812156417 OTMCORUXDNQXCG-AWEZNQCLSA-N 434.522 0.591 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814270323 FWHOSUNWBNDUOB-ISLYRVAYSA-N 446.485 0.509 30 20 ICED N#C[C@H](C(=O)CCCN1C(=O)CCC1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916998988 ZMRGIZLDWUVDME-LLVKDONJSA-N 430.373 0.943 30 20 ICED C[C@H](C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(C)(=O)=O 919350397 YBEMWDBUUJRUGZ-GFCCVEGCSA-N 436.446 0.431 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 919541835 YFQKERGQLAPFFO-CYBMUJFWSA-N 437.474 0.642 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1184191459 ZOKFYOFFBAVCBI-UHFFFAOYSA-N 433.534 0.169 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286959921 IRYRAXSFIKOBBM-LSDHHAIUSA-N 446.537 0.803 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4c(OCC(N)=O)cccc43)CC2)o1 1307785446 LAIWALOMKMPFLX-UHFFFAOYSA-N 438.488 0.820 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1472356949 RYMLSNVTSIWMLW-MRXNPFEDSA-N 448.545 0.903 30 20 ICED C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539803592 JQHMVPGCLQPEDL-ZDUSSCGKSA-N 436.904 0.001 30 20 ICED CC1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1544264725 KQBPAJWIVMMHCW-IKGGRYGDSA-N 439.586 0.737 30 20 ICED CC1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1544264726 KQBPAJWIVMMHCW-IXDOHACOSA-N 439.586 0.737 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1568995278 OIXAVUOSSKBYFT-UHFFFAOYSA-N 448.545 0.607 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCn1cncn1 1692768275 MBFLXWDOECZCET-CQSZACIVSA-N 429.510 0.688 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 1741988162 KKJOQWQECOZDAP-HZPDHXFCSA-N 438.554 0.920 30 20 ICED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1747411730 UJFQIJODYKQAJX-BBRMVZONSA-N 432.572 0.453 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1760695744 MXORVWILRWWGSI-MUKSBBSRSA-N 444.583 0.118 30 20 ICED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1761424343 VSCVLIBYFWSCNJ-QGZVFWFLSA-N 439.520 0.776 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CCO1 1771538879 JCKZYJOFEHSKBR-MRXNPFEDSA-N 444.467 0.974 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1779067321 SIHORXQOARPQKY-DYESRHJHSA-N 438.546 0.092 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C\C(=O)NC3CC3)C2)c1 1779233275 QDTUVBBUCZUXSX-RAUXZBOGSA-N 425.489 0.849 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c(O)n1 1780244489 XJZNFBJOONFNNC-QFIPXVFZSA-N 439.472 0.746 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4noc(C)n4)CCO3)C2)c(C#N)c1 1781175083 YIORDXQHMASARA-JOCHJYFZSA-N 439.472 0.873 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccnn2)C1 1781546713 VGOWYMNDIFTPOU-MNRBKGIESA-N 430.509 0.211 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc[n+]([O-])c5)CCO4)C3)c2c1 1782192627 NYVZIFKCBALOMF-JOCHJYFZSA-N 432.440 0.825 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782207254 XHRRWVOXZCIJKZ-ZPGKAZOCSA-N 440.537 0.689 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1782640251 GZHPIESEGUPMCJ-NRFANRHFSA-N 429.546 0.415 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)[C@H]2C1 1783445189 BFNZHWAGYWZWLQ-JSJNYSNDSA-N 425.485 0.661 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(-c3ccccc3)ns1)CCO2 1783562092 BPFKOAGNOZIRTN-FQEVSTJZSA-N 426.454 0.737 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785353173 GWLOETXIVVSFFI-GOSISDBHSA-N 426.420 0.299 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cc1O 1788656536 QBGMBCWGBQUBDF-ZABXYJNLSA-N 435.481 0.248 30 20 ICED CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)n[nH]1 1788657055 XYYINBMVUQXSNC-INXFCDGPSA-N 447.492 0.735 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3[nH]nc4c(Cl)cccc34)C[C@@H]21 1791078879 DQBPUSLYMJDOCH-JDFRZJQESA-N 444.875 0.827 30 20 ICED 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)C1 1792889488 WBEYNGMWWDZSDN-DPTOJEBYSA-N 437.537 0.816 30 20 ICED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1793316312 KVUBMKMZSISHDW-RMFSNUHRSA-N 433.530 0.515 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793840393 KJBAIBXTQZVMJK-WOUAJJJCSA-N 442.516 0.698 30 20 ICED NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccc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c1cc(C#N)cc(C(F)(F)F)c1 1799787116 XQFXFBYLFFNYLP-FIUQPQMISA-N 438.406 0.915 30 20 ICED CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CC#N)C3)C2 1800324350 CNGWMKMYAFLFLV-AFIMGQEJSA-N 429.477 0.125 30 20 ICED Cc1nnc(CCC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)s1 1804564402 HRLBQLLYSJCMMY-QRWLVFNGSA-N 427.486 0.968 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812671538 GUBUQSSFHYANFD-GOEBONIOSA-N 438.431 0.842 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3)=NN2)[C@H]1c1cccnc1 1812881200 WGESIBSWNJARPP-NOXFTYBFSA-N 445.479 0.942 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815770985 MMUTUIZZHIBEQK-ZIAGYGMSSA-N 446.464 0.509 30 20 ICED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](C)S)CC3)CC1 1818898274 DEHMZCNRCRAVQM-DGCLKSJQSA-N 425.580 0.538 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2(O)CCCCC2)n[nH]1 1819425527 JXKAXYQIIVHMTK-KRWDZBQOSA-N 441.536 0.940 30 20 ICED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452311 JUVJYYYDWUCUDB-XQGSKJQDSA-N 446.512 0.771 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1819715972 DZNPHZXWFMMOOB-IUODEOHRSA-N 431.518 0.885 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1819907239 NKSBJLLMZHDIFX-GXQBDPJSSA-N 435.506 0.720 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529362 CUDVKAAKURNNKY-OAHLLOKOSA-N 441.492 0.609 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1825873769 OSRIQVBKRWANLN-ZYHUDNBSSA-N 440.522 0.835 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1829267233 LVYDJCPFNJCEFK-WZONZLPQSA-N 438.484 0.208 30 20 ICED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CNC(=N)N)C2)C1 1829353017 NQRCHLWZCHYZGR-QFIPXVFZSA-N 442.520 0.498 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1829769498 WRBAOZNNCGMCEV-LXHZQTKUSA-N 449.454 0.893 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1830046049 BTNGSECVXYZYMI-QFIPXVFZSA-N 443.504 0.094 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830592793 VJAFVFNDYDCCJL-IRZJEQJZSA-N 429.473 0.164 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)C1 1830707609 SFTVPXNDMNHXLU-DLRJPAPCSA-N 442.578 0.987 30 20 ICED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1831221230 INEWTNFJQKNCFC-ZJSXRUAMSA-N 436.512 0.622 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1831408744 AGJBKDODXCICSP-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1831431649 GCYNPEBPQQKWJE-HRAATJIYSA-N 434.493 0.536 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831487174 LZAYVZMZTGBQCQ-UZLBHIALSA-N 433.534 0.982 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251385 HPQBUSWFDUVQES-NOZJJQNGSA-N 432.392 0.116 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1832769567 OPDXULJYBXRLPB-JOCHJYFZSA-N 439.472 0.603 30 20 ICED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1833436492 UXMOUTCGZIABKK-UHFFFAOYSA-N 425.533 0.808 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1833843026 FQMXHOWJMHSHDL-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833845524 ABXPMRDBDVYDNP-AOMKIAJQSA-N 438.488 0.826 30 20 ICED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cnncc4C(=O)O)CC3)CC2)CC1 1834600877 CVTHZCIPIUZANF-UHFFFAOYSA-N 426.477 0.664 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ccccc3c1)CCO2 1834895582 QGIMFBFMKKROPS-XMMPIXPASA-N 436.464 0.927 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835069620 QLCGXXQNZXVOSG-CQSZACIVSA-N 433.509 0.664 30 20 ICED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835351944 GMTMOHLOWCMPBJ-IIBYNOLFSA-N 438.525 0.907 30 20 ICED CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732297 ZTEKYCWIUSIEPA-HKOYGPOVSA-N 448.612 0.898 30 20 ICED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079043 JIPWOPAJYJQKRW-UHFFFAOYSA-N 439.578 0.129 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1837207524 AVCKUAYDCJSAKM-KKSFZXQISA-N 441.525 0.500 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837402391 GXFSGJINGFXOHM-WZONZLPQSA-N 445.516 0.429 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440444 IXVGMEPTVMWZGU-XCKVFWMBSA-N 426.583 0.869 30 20 ICED N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562399 KJOXLCOSSWFSOQ-IBUCALKDSA-N 437.522 0.172 30 20 ICED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1Cl 1838308553 NPNMMIGPSVETJQ-YUTJSNEMSA-N 449.895 0.856 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838328300 AVRNCBLBQKZTSD-JOCHJYFZSA-N 445.520 0.638 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(-n5ccnc5)ccn4)CCO3)C2)CC1 1838794108 BGQUCFDAYXDKCF-JOCHJYFZSA-N 436.472 0.641 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838801767 MAJDAFLSHDEJNK-QFIPXVFZSA-N 425.441 0.289 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1839174223 NLKMDPCDHWWBLQ-QFIPXVFZSA-N 431.489 0.969 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)ccc1F 1839186545 AXAIECWFJVRKJW-NRFANRHFSA-N 427.436 0.733 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839568589 BIVCFBWFGNPJSY-VGSWGCGISA-N 426.473 0.443 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](S)C(C)C)C4)C3)(C1)C2 1840004679 KPVNPMDNUSQPOZ-NUDUCMMGSA-N 440.562 0.741 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840172009 LNGVETVCWGIDMG-QKKBWIMNSA-N 432.477 0.025 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497333 UTDQXNDUZGNWMK-GCJKJVERSA-N 433.505 0.359 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1845253125 QMIRRBKIJOENKN-CABCVRRESA-N 426.514 0.876 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847436460 VOGCXUHXXCXXDZ-HTDHLNIYSA-N 443.544 0.941 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2C2OCCO2)CC1 110535381 MVYRNPNACGUUOC-SFHVURJKSA-N 448.545 0.619 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 409517887 KXEUZTCPGDMJIL-KRWDZBQOSA-N 443.957 0.591 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](CC)CC#N 439561907 PHRVCJFWRMPJTD-AWEZNQCLSA-N 438.506 0.853 30 20 ICED N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 440121254 NAFXOCVXHDWDFN-UHFFFAOYSA-N 449.511 0.918 30 20 ICED CN(CC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 440661889 RCGOPFZASAONJL-DLBZAZTESA-N 425.532 0.747 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(COC)cc2)c1=O 461373394 NBRGEOSAXZWIBL-OAHLLOKOSA-N 427.526 0.896 30 20 ICED Cc1cc(N2CC[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1 464140577 VANKORLCEOKWBP-INIZCTEOSA-N 430.490 0.142 30 20 ICED COC(=O)CN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 471144041 DZDSSXGQBBPQDR-UHFFFAOYSA-N 444.897 0.298 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)n1 477033682 LTFZLWFCNIWBOO-CYBMUJFWSA-N 428.514 0.693 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 485678782 AELPZGRPWQASSV-OAHLLOKOSA-N 428.488 0.176 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 489040204 MHHKAYDKXYPIJV-ZDUSSCGKSA-N 435.465 0.689 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)nc1 497478012 WANLQHSWOFUMNU-OALUTQOASA-N 447.561 0.270 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCCC(=O)OC 501765571 MKQQLCMZLYWONY-UHFFFAOYSA-N 435.527 0.190 30 20 ICED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 508322794 BYGUAXLGQUCLQD-GOSISDBHSA-N 447.503 0.857 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1O 509069458 LCIFGTNEKRCJDP-NSHDSACASA-N 438.487 0.477 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 511504275 HCSKAAGNBRAYIU-UHFFFAOYSA-N 428.367 0.755 30 20 ICED COCCOc1ccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 530681117 VNRWHEVQWQURRM-UHFFFAOYSA-N 435.444 0.873 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(-n4cccn4)c3)c2=O)cn1 532109215 QXMPGROYTWUECN-UHFFFAOYSA-N 445.508 0.550 30 20 ICED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C)C#N 538112120 FTVLDLVNWUEYFJ-AWEZNQCLSA-N 438.506 0.709 30 20 ICED CN(CCC#N)C(=O)CCN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 540053158 UWBLWANOUBSNSS-UHFFFAOYSA-N 436.534 0.916 30 20 ICED N#Cc1ccc(CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C2CC2)cc1 544106763 ZWXJABQVOMATRD-UHFFFAOYSA-N 425.533 0.526 30 20 ICED N#Cc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)n1 544867344 YHILVXNSBSZYSW-SFHVURJKSA-N 446.467 0.532 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCCN(c3nccn4cnnc34)C1)CC2 550153734 GCVRDIMFKVRGGD-INIZCTEOSA-N 430.472 0.918 30 20 ICED C=CCN(C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 553276000 CJDLJDXUSAYSPF-ZOBUZTSGSA-N 439.538 0.726 30 20 ICED COc1ccc(COCCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 557267871 JLHRBSZHIBTIOG-UHFFFAOYSA-N 440.504 0.590 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)n1 561599102 PREVAYDZFFUXFM-LJQANCHMSA-N 449.515 0.248 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)CC1 577967902 RLPRXYVEQFZUDG-UHFFFAOYSA-N 427.505 0.587 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2=O)cc1 588866129 BQWGACLBEMTAGB-PMACEKPBSA-N 439.516 0.493 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C2=O)cc1 588868280 BMSAVQWJNJUNBH-PMACEKPBSA-N 439.516 0.099 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c1 589400674 SRZWXXDPRZMPOC-HNNXBMFYSA-N 434.905 0.950 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSc1ccccc1 603552971 KCMARVRSQIICFS-UHFFFAOYSA-N 425.539 0.685 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 612230424 YJIANVWCZFRYNE-CXAGYDPISA-N 440.460 0.566 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ccccn4)c3)C2=O)cc1 617092851 WWTLVARLGFHPCO-GOSISDBHSA-N 429.440 0.995 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 728571887 PRMMRQJLGIOENG-UHFFFAOYSA-N 449.958 0.490 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 730684095 PRLDVWHAIWNGLC-HKOYGPOVSA-N 446.533 0.542 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)[C@H](C)COC 733717240 JVVKZZXWRZOJRZ-OCCSQVGLSA-N 431.536 0.765 30 20 ICED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 733855536 QVFTVRQPKUVXFQ-KRWDZBQOSA-N 436.472 0.954 30 20 ICED Cc1ccc(NC(=O)Cn2ccc(C=NO)nc2=O)cc1S(=O)(=O)N1CCOCC1 736302868 UGPJLLKWWQBJJE-UHFFFAOYSA-N 435.462 0.019 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 743907805 XSMUBDGRJRJIQL-UHFFFAOYSA-N 429.495 0.271 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1CCOC 748042537 MCDMBLMMJLKTKA-DZGCQCFKSA-N 431.514 0.538 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 751108798 YHWBYHQDOXXXTA-UHFFFAOYSA-N 428.423 0.862 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cc1C(F)(F)F 751530808 UPFPCXIRCZLQTO-UHFFFAOYSA-N 427.426 0.517 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)cc1 760397500 WFGVXSIVJRIAHN-FLLWUHORSA-N 432.449 0.570 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 761026623 ZWWUVTCIHKCPBY-UHFFFAOYSA-N 442.463 0.258 30 20 ICED COc1cccc([C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1OC 763042768 OADSXEKZZRSUGS-WBMJQRKESA-N 446.485 0.851 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2CC2CCOCC2)cc1 768511635 YZMMISXCFFTQIS-UHFFFAOYSA-N 434.478 0.649 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc[nH]n1 770831128 GYDJYWOBPIKPGQ-CQSZACIVSA-N 430.465 0.630 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)cs2)c1=O 782695875 KPQHCUSSHREMPL-UHFFFAOYSA-N 436.946 0.495 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 783455503 VMISHVPAHKAVDB-UHFFFAOYSA-N 433.468 0.640 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 783536271 OOYPXEBGCXOIOM-UHFFFAOYSA-N 429.564 0.018 30 20 ICED CN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 784811769 LXYXWFLQHBOVMY-CYBMUJFWSA-N 435.366 0.699 30 20 ICED C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC)CC1 801910901 QCAPMWDABVEUKX-UHFFFAOYSA-N 444.561 0.741 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)ccc1F 804555704 SXWIZYMXBFEDBF-ORAYPTAESA-N 438.481 0.883 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 807548432 XHQFIEJUQHZNBS-ODUIBEPXSA-N 435.506 0.162 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)n1 810355935 FGUYGBFKAQARKU-UHFFFAOYSA-N 438.469 0.809 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)ccc1F 919075891 YQNDHFBHQZZZCH-UHFFFAOYSA-N 429.470 0.478 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301969350 WEXTVFMRXURADT-HUUCEWRRSA-N 426.543 0.512 30 20 ICED CNS(=O)(=O)C[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319396380 PSIOFBQSCRHGFG-HZPDHXFCSA-N 433.490 0.303 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 1327168695 UTVNABXXJWCGJC-UHFFFAOYSA-N 426.521 0.454 30 20 ICED Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1492587196 IAGSTWOMHLDSNH-IBGZPJMESA-N 443.577 0.903 30 20 ICED CNS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1554503094 TWBUQQKLQNUHIR-GOSISDBHSA-N 438.485 0.953 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1555985634 SMUHZVCWXURMKA-WMLDXEAASA-N 428.559 0.671 30 20 ICED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1696490921 RJCVFAKBEMEACO-HUUCEWRRSA-N 446.599 0.448 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1730764064 QOJFJEWHGYJJJE-IRXDYDNUSA-N 440.570 0.267 30 20 ICED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750387714 ZHNOGESQWVDYDN-RBSFLKMASA-N 430.431 0.774 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1760696647 SCPWIGUDBRMKCT-PASDCYSWSA-N 440.570 0.758 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccn1)C2 1779422349 DRATZZGLMGSCKP-YCOPDDRQSA-N 433.509 0.926 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030442 SWDRDUSTRWGVFN-HSZRJFAPSA-N 441.484 0.952 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CS(=O)(=O)N4CCCC4)CCO3)C2)cc1 1780696000 PVZVYVOBDIRNMS-OAQYLSRUSA-N 446.529 0.427 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780938790 PFQKOWVQOZFHLB-VFNWGFHPSA-N 432.546 0.934 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1781269172 CEFRNYHVRQVVBN-HXUWFJFHSA-N 428.449 0.077 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781536258 PHTRMUVGAWJPHS-RMUOZIPVSA-N 444.444 0.602 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H]3CCNC(=O)C3)CCO4)c2c1 1782198338 OCLYHZZMBAJSQY-QRQCRPRQSA-N 436.472 0.404 30 20 ICED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2ccc(Cl)cn12 1782500389 FWYPZMVPRPFXBI-HXUWFJFHSA-N 430.848 0.828 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 1784406781 NRMPMBDLROCWIA-DYRFGFBLSA-N 429.521 0.660 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(C(=O)OCC)CC3)C[C@@H]21 1784486839 RLYJVEQGYFLPQS-GTAWCEEGSA-N 449.548 0.873 30 20 ICED C=CCO[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 1784506222 KDIUPFNSKXZRDS-DNCCFGNJSA-N 441.525 0.400 30 20 ICED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859025 CFLHGKXXLHCALR-XSLAGTTESA-N 435.569 0.553 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788680075 IKHRQDOTCGQPCR-MLHPTJDYSA-N 443.460 0.253 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790228613 VFECJLXXKXGRHC-WSTXMBPASA-N 447.463 0.906 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)cc1 1790749100 HCPWVARKDBWHJB-VJANTYMQSA-N 431.514 0.729 30 20 ICED O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791603788 JJNQRCWMGOZBFV-FHWLQOOXSA-N 442.516 0.534 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1792148280 AFINRQGWQUBNOA-BQFCYCMXSA-N 447.513 0.735 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(C)=O 1795144703 DWFDUIDLGSHFDG-SFNKJDCFSA-N 435.521 0.862 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1796321195 OUMSETXUEPSAER-YNVMFWSZSA-N 443.504 0.146 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccc2n1 1796776113 HICANNPQVHDTRD-VLTQWEFMSA-N 435.484 0.691 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746613 FWWNAWAFTYOXKR-QXGSTGNESA-N 432.452 0.052 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800154887 NUKICSQRIXTZKH-CXUGJCBMSA-N 440.544 0.915 30 20 ICED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)c1 1800393059 BYEINPRTDJMNBI-LTCOOKNTSA-N 435.477 0.478 30 20 ICED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1800985479 CCYGHDUKUGTHDL-DNVSUFBTSA-N 433.490 0.200 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1 1802482435 NFMCHYQHYJKOIX-CLGYPTBXSA-N 449.511 0.808 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1804190393 NFPGSFNDBVSOOC-NQIIRXRSSA-N 446.467 0.825 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284750 SLOFNGVULWPNCR-ATBHZMHDSA-N 443.552 0.152 30 20 ICED C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)sc2C1 1818585069 FSHSBRAFVBSFKB-JTQLQIEISA-N 433.453 0.886 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cncn1)CC2 1819899714 YBALSHFURRLDLI-ZBPRQTFLSA-N 433.494 0.876 30 20 ICED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1819948937 GVSFVYBOCNCBHA-QPVSSGOPSA-N 444.473 0.319 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1823078213 HMWIFIBZWJFXCV-SCVCMEIPSA-N 436.494 0.454 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1824490015 XTBOGJGYQHGLOU-CRAIPNDOSA-N 440.504 0.689 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827586712 QUYGLXBKJWYSRT-TUYSUELWSA-N 443.504 0.980 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCN2C(=O)OCc1ccccc1 1829012886 HXGZZSBHHZNMSZ-QFIPXVFZSA-N 436.472 0.363 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)cc1 1829715183 SBLHVVWLBDJTBS-JOCHJYFZSA-N 444.557 0.677 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830049750 DKIIVGCSEMFKIN-JOCHJYFZSA-N 431.489 0.949 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1831393458 MHOWKKVQDBNKHI-DJJJIMSYSA-N 427.404 0.721 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831492136 IWOLMHPHMPLAMM-YOEHRIQHSA-N 427.483 0.342 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1832452977 MSXVAMTUTIWRRQ-HXUWFJFHSA-N 438.550 0.519 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2)C(F)(F)F 1833497032 VLUUYHSSQNAURJ-QGZVFWFLSA-N 444.366 0.363 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c(O)n1 1833699155 SVJPXSLCQFJJFB-JOCHJYFZSA-N 446.504 0.064 30 20 ICED C=CCC(=O)N1CCC(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 1835440077 HXNNEIWWQUOJGJ-UHFFFAOYSA-N 440.610 0.806 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccn1 1835680246 FVBBAJABULRDIV-UTKZUKDTSA-N 432.525 0.182 30 20 ICED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)c1 1836202376 LJAGDKHGRQJPOX-JOCHJYFZSA-N 441.463 0.973 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(CC)c3Cl)CCO2)C1 1836228497 UAPNBJAHMUIHKT-XOBRGWDASA-N 438.912 0.734 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836371303 NHDSREBMRDSHJU-WOJBJXKFSA-N 449.640 0.785 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C(=O)c1cccs1)CCO2 1836520766 QOJYSFBDUKUQLH-WUUFJKRQSA-N 432.454 0.031 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837015747 GBJGIPIRKPDBQS-VGOFRKELSA-N 443.504 0.372 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1837305841 KQBWHIHOEJRMPH-QPPBQGQZSA-N 448.608 0.849 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837401042 STNWNJQOEAIJDO-AOMKIAJQSA-N 447.488 0.453 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837446615 FZWKEVICCKZUCL-KVPJMKILSA-N 436.553 0.466 30 20 ICED CC#CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)c1ccccc1 1837617775 ZGVMVCKGEPJFAB-XUZZJYLKSA-N 444.528 0.649 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1837662922 KBPDQSIWTAZIJC-HRAATJIYSA-N 425.526 0.498 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081178 XZQQZTPFIJEJIO-PWHSHALESA-N 429.517 0.257 30 20 ICED CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1839476526 SEECWWXJUJQXQF-IBGZPJMESA-N 439.465 0.213 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839840473 CBSUDJKFTRULCY-YLJYHZDGSA-N 443.566 0.081 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1)C(F)(F)F 1839893842 SXUFSOBHKMISIJ-GOSISDBHSA-N 439.394 0.918 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)C1 1840041195 XROYZGCZMLVYRE-HSZRJFAPSA-N 426.469 0.262 30 20 ICED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840253443 LZUAUWPZBQUGEL-QHCPKHFHSA-N 443.500 0.972 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1840465451 YNFJUDQCUIVXRN-HSZRJFAPSA-N 444.532 0.118 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1840840562 WPQZDIKGQWRPHA-QHCPKHFHSA-N 441.484 0.854 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1840842010 IDKFPVHDPIXBID-HXUWFJFHSA-N 432.433 0.482 30 20 ICED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224161 PBVOUGRQDOTBET-CQSZACIVSA-N 433.509 0.925 30 20 ICED CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195417 NYYLNKYWYYDGRU-JKSUJKDBSA-N 449.504 0.598 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 433594833 NQTRQOCFQNGITF-INIZCTEOSA-N 429.506 1.479 30 20 ICED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 434764373 IRQBPAQXZTVLQY-UHFFFAOYSA-N 430.509 0.056 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 437708479 MJQNKXKLLNBFET-OAHLLOKOSA-N 444.513 0.709 30 20 ICED COC(=O)Cn1cc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 441447223 KLKNHGFRFDJBPJ-UHFFFAOYSA-N 437.464 0.523 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1C#N 441653162 ANDAQGVYDGWPJA-UHFFFAOYSA-N 431.474 0.943 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cc1F 441939751 BIIPSCRTNNTESM-AWEZNQCLSA-N 443.500 0.876 30 20 ICED CSCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 443547143 GLLADZMJRDMNPV-MRXNPFEDSA-N 444.582 0.775 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)n1 447465584 YXSKABMUJJRKIP-AWEZNQCLSA-N 445.277 1.419 30 20 ICED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 477161263 DHGWNXOMLGJHBY-CQSZACIVSA-N 432.448 0.308 30 20 ICED Cc1ccc(S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 479547343 NUFJSILRHFUZQH-UHFFFAOYSA-N 436.515 0.240 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487499965 HUNAYRQWBJXQMW-QZTJIDSGSA-N 433.534 0.630 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 494326391 FPIHCFSFUVZTSK-CQSZACIVSA-N 439.563 0.452 30 20 ICED Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)n2c(nc3ccccc32)c1C#N 501218685 QHSGJIHSECBTCZ-RTBURBONSA-N 425.514 0.948 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 504155389 DUHMPMHOTLMYOD-KRWDZBQOSA-N 432.440 0.429 30 20 ICED CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508381111 WPOHJFCPLQMGGG-UHFFFAOYSA-N 447.521 0.552 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c(F)c1 513367740 VXOPNOUBRCNOPE-SFHVURJKSA-N 429.496 0.527 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@]12C(=O)Nc1ccccc12 513973896 FOAFDDNXWNANDU-RNODOKPDSA-N 425.470 0.618 30 20 ICED COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1C#N 516360071 WNMSUZJFBZXRPW-UHFFFAOYSA-N 447.473 0.475 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550964598 IRJKLNKDZAHSRJ-GFCCVEGCSA-N 429.296 0.799 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1N1CCOCC1 556206402 ULOMMMQFGUPIII-UHFFFAOYSA-N 425.493 0.408 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 561271667 GZVVEFPUSLJPIR-OAHLLOKOSA-N 444.513 0.977 30 20 ICED COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 566877263 FMLILWIKWHRARK-AOSWFRPUSA-N 426.473 0.433 30 20 ICED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 569294699 FESCRZRVVZQJDT-UHFFFAOYSA-N 448.505 1.331 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3ccnn3C)C(C)C)CC2)c1C#N 589213657 VUPNKNVYEDRCNR-KRWDZBQOSA-N 426.525 0.538 30 20 ICED CN(C)CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 589301680 KSPMKXOBEHFCCR-UHFFFAOYSA-N 429.502 0.767 30 20 ICED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 592519457 RCWFKUCQFDGLFP-SFHVURJKSA-N 436.534 0.834 30 20 ICED COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 600842815 HCTPWDUIFLHWMV-MRXNPFEDSA-N 437.474 0.180 30 20 ICED CCc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 609940624 OKMSVWJIYNSSLK-UHFFFAOYSA-N 442.501 0.450 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C)s2)c1=O 725763445 LPDFDQNWVKVSJO-UHFFFAOYSA-N 436.559 0.367 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1=O 726043515 OLKXZSZLHFJVTG-LBPRGKRZSA-N 431.401 0.695 30 20 ICED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 727161252 SSKANCBZKZVERO-UHFFFAOYSA-N 448.932 0.332 30 20 ICED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 740848130 NFZJZOVWWJCFSL-ZIAGYGMSSA-N 427.548 0.977 30 20 ICED CSCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 751823288 NTRJTRCGAZOCRP-UHFFFAOYSA-N 430.467 0.979 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc3c2OCO3)c1=O 758075232 FTNZVJGOKGGBGQ-UHFFFAOYSA-N 439.518 0.350 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)OCC 763280125 RDXYRUKXALTHHK-IFXJQAMLSA-N 425.507 0.714 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 767276084 KFDLPOXUQDHUAQ-UHFFFAOYSA-N 441.421 0.245 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC2(CC1)OCCO2 767628159 DDFQARBSKLSEPH-CQSZACIVSA-N 437.474 0.134 30 20 ICED COc1ccc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)cc1S(=O)(=O)N1CCOCC1 770872054 QTHNATRDVHKHQF-CQSZACIVSA-N 432.458 0.655 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 783065714 SLQPUOPNUBFGBX-UHFFFAOYSA-N 430.914 0.880 30 20 ICED C#CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 785160836 TZFAMVFCHHUMDY-UHFFFAOYSA-N 429.882 0.065 30 20 ICED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H](C)CO 786018082 CCGVPTYKOREZMN-NINDBSIVSA-N 440.522 0.028 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCOC2 791691448 HIPQGLOXGCAYDX-CQSZACIVSA-N 432.506 0.722 30 20 ICED COc1cc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc(OC)c1OC 800109299 TUGIHYDRIZTNAI-OAHLLOKOSA-N 426.495 0.304 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 804498085 BSIGTLGOZQRMGX-WBVHZDCISA-N 427.548 0.436 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806611415 UDMQMJYJUHHHLY-UHFFFAOYSA-N 437.521 0.994 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 807328189 MYTXHMRXHLCYKN-OAHLLOKOSA-N 443.822 0.854 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1C#N 809502603 LPJGAIWCPAFTQF-MRXNPFEDSA-N 441.532 0.775 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)CC2)nc1 918390230 AQPZDUGBHCJRTQ-HSZRJFAPSA-N 430.468 0.995 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc1 1155184891 QEBXWXKNIUXJJZ-LBPRGKRZSA-N 442.423 0.869 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1261112147 OFBIAZHPEXHRON-GXTWGEPZSA-N 432.424 0.850 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1303404768 BLMWSUZPRVWFCF-GOSISDBHSA-N 442.568 0.995 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C)s3)CC2)o1 1318441472 KVOAYQJQKJASSG-UHFFFAOYSA-N 431.474 0.846 30 20 ICED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1503290171 GHBBZCVSQYGLQA-VPTFNQTCSA-N 430.534 0.927 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1512586757 VSUJHAVUPCRAOQ-LIRRHRJNSA-N 434.522 0.342 30 20 ICED COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1519113632 XMRCYEJKLVTJJA-MAUKXSAKSA-N 428.534 0.590 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCOCC1 1541675850 ZJUSXJAWKLMLGR-QGZVFWFLSA-N 431.541 0.524 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCSC1 1541926557 UPJRHLZMTZUOLX-CXAGYDPISA-N 428.584 0.886 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1554434708 JEINARPQBJXFFO-UHFFFAOYSA-N 431.522 0.328 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)NC 1613316004 YTWZMNCQUFJOKO-AWEZNQCLSA-N 449.585 0.581 30 20 ICED CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617428771 OOZIUSSZIBIDMQ-AZYRPFHASA-N 442.549 0.591 30 20 ICED CN1CCN(C(=O)CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1620462706 KDPPICYJXYFTKS-FQEVSTJZSA-N 430.528 0.240 30 20 ICED N#CCCN1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1631275552 UPXQHHBWSVUBDP-SFHVURJKSA-N 428.541 0.523 30 20 ICED COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1711853383 KFVFURGDCPICOD-HOCLYGCPSA-N 449.537 0.801 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3cccnc23)C1 1778955832 UBHJZHMYIWEVKB-AQOAWAETSA-N 425.489 0.895 30 20 ICED Cn1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(C(F)(F)F)n1 1782013598 ZJQMUHPWGGAWQU-FZKQIMNGSA-N 442.394 0.654 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC(=O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783889167 QOKHRGAFTXYSRX-IAMHBRQHSA-N 441.550 0.713 30 20 ICED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783893568 HPQQAKZLMBNRAO-PJIJBLCYSA-N 431.555 0.674 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3cncc(C(F)(F)F)c3)C2)C1 1784301578 SIHPTPOUXSWBEZ-IBGZPJMESA-N 439.390 0.951 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1784493701 CMEBGXMRAUYAPG-NWZZKEMCSA-N 426.510 0.565 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376193 LPDLOKWOKAYSEW-OAQYLSRUSA-N 447.513 0.673 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)cc1O 1785594685 QCIDSTHGCYSGTP-IKWHRECTSA-N 435.481 0.248 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788311271 TUVZJHXYRLUOHV-BQFCYCMXSA-N 441.488 0.832 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788572730 HABWVBLSYBGWFM-STECZYCISA-N 432.477 0.341 30 20 ICED CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)o1 1788601347 YUVNAMGVHBIVAN-QBESIMBKSA-N 432.525 0.806 30 20 ICED Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659355 KCSRNHSHNNMHBS-UYSVKRSASA-N 437.522 0.969 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226181 KPQONIKXAXPQPV-UJNZZBMASA-N 445.495 0.998 30 20 ICED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1790871875 QTEBQRXNJJSUSW-ACRUOGEOSA-N 426.517 0.997 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791625489 BSPDZCDZLPJCRO-VJANTYMQSA-N 430.553 0.781 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2C1)C(=O)O 1791984326 DUJHIDGDVDIBNL-HVRBKMHZSA-N 442.516 0.970 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c(O)n1 1792579043 HYZJUEIAQUHYEH-MFCZKXCZSA-N 442.516 0.635 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CS(C)(=O)=O)c1 1793370203 DHCVIEVQUWVNDO-KUZCPNRJSA-N 449.529 0.451 30 20 ICED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1795089367 PTKWBLXONSTLPW-INUXOSNVSA-N 429.448 0.949 30 20 ICED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1796445794 LBQAHXNXYFVMGS-SHXSXUFKSA-N 428.470 0.886 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797863560 CLQWDCAEIAIONV-AFIMGQEJSA-N 433.534 0.104 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)COc3cccnn3)C4)c2c1 1799886222 PPOPGACFNCUDTG-YVWYUNDQSA-N 447.455 0.507 30 20 ICED O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800893170 ORZZUSXKLDKWRZ-AVCCOKLDSA-N 436.509 0.118 30 20 ICED O=C(Cc1ccc(O)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801461701 CJCFCUATCUGHIU-FAQVEIGNSA-N 427.501 0.618 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1803567467 VXKINQILYBYCPX-XZKMEQPCSA-N 434.493 0.743 30 20 ICED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)CC1 1806078789 CSSDUGPMMYGSCW-YJBOKZPZSA-N 433.472 0.645 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC3)CC1 1814465045 WRBCYGCBQHLHHD-GFCCVEGCSA-N 437.547 0.089 30 20 ICED O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1815597926 ZHQLCYXZBZDJSL-PZEXIZOFSA-N 441.448 0.666 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886401 HGPCIZITIAEWQD-PVUWLOKVSA-N 438.550 0.279 30 20 ICED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751773 YRRGLYKBIKPLSX-XTQMLFPHSA-N 434.497 0.654 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)n2)CC1 1823743989 LYMSCNYPOGJKLP-TUYSUELWSA-N 443.504 0.980 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824031179 SUFOXFFFQYNBJX-SJORKVTESA-N 437.537 0.833 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CC(c4ccccc4)=NN3)sc2C1 1824437798 BYDXUWNOZACGEK-CZUORRHYSA-N 437.481 0.909 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1826891908 WUBQJVQCHXAERC-KRWDZBQOSA-N 446.552 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1831392234 CFSQQXPKWYUUQC-OPAMFIHVSA-N 427.457 0.936 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831406840 HWERDMCBAWDOED-NRFANRHFSA-N 435.525 0.912 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831413001 LDRORKRHRLQXPC-QFIPXVFZSA-N 448.520 0.554 30 20 ICED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1)C(F)(F)F 1832151013 PYVUOQVFVKZMDQ-QWHCGFSZSA-N 440.312 0.657 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832419961 WDYCGBQRZAYKQC-XMSQKQJNSA-N 437.537 0.437 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833468093 MMAGSZWVDPHURP-QFIPXVFZSA-N 431.489 0.924 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1833475771 XRPNASJTWQWWIA-IAGOWNOFSA-N 437.585 0.857 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1833860429 LQQKAQFJTCCNPR-BEFAXECRSA-N 426.539 0.453 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CSc3ncccn3)CC2)CC1 1834865418 GCPGVDWMHUKYKJ-UHFFFAOYSA-N 431.518 0.228 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835311912 CCUZVICZJQGONA-ZDWFVDTJSA-N 440.500 0.662 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)C3)C2)CC1 1835345688 UJECMAVPWJWWTE-JKSBSHDWSA-N 430.505 0.148 30 20 ICED Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835354614 QXRMLOLCXFNJNF-NRFANRHFSA-N 449.529 0.529 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835681274 WAHYHRUDBZGGLL-QFIPXVFZSA-N 446.504 0.450 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835718574 QHRZLAIYAAZJQS-LJQANCHMSA-N 432.569 0.813 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1836072366 JMDVIQIWKHXBDM-OAQYLSRUSA-N 425.445 0.562 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837301043 UMSYTLDJEJRAQN-YADHBBJMSA-N 427.457 0.591 30 20 ICED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837488604 MLQXQXWXZZIHFG-HSZRJFAPSA-N 444.532 0.672 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491665 SCJQCDIIRCFGIF-HSZRJFAPSA-N 442.516 0.554 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837533300 OAKIQLKSSWFFEV-PVFZMYLSSA-N 439.509 0.398 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185528 FFZHPVUOUNCOAD-HXOBKFHXSA-N 443.475 0.735 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)ccn1 1839227055 ISCXJZIGHZEHAH-KKSFZXQISA-N 434.493 0.961 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839537833 FPELPAYMKXLMRF-VGOFRKELSA-N 428.489 0.995 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839569260 VHHNZPWRTRHSEX-VGOFRKELSA-N 428.489 0.995 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(-c4ccccc4)c4c3COC4)C2)C1 1839807433 AEDUUWQXWVEBRE-QHCPKHFHSA-N 436.468 0.606 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049896 QVWFEPYNWPYEIE-WYZSGPTCSA-N 431.489 0.722 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106795 YYUVNCCDIRYIQF-LAUBAEHRSA-N 438.525 0.256 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cn3)C2)C1 1840171815 AKSGJVZOUSABGG-QFIPXVFZSA-N 430.505 0.564 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840583320 HQRYNKJGUCPNLW-YDHSSHFGSA-N 437.581 0.889 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C(N)=O)cc4)C3)C2)CCC1 1840816255 UKJREQWGUUKCLS-JOCHJYFZSA-N 426.473 0.549 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1840818413 AXPYSUBWQWOKAW-NRFANRHFSA-N 425.445 0.430 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1840820791 JYVZCQQCSQYBOX-AVRDEDQJSA-N 429.473 0.430 30 20 ICED Cc1cc(N2CC[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)ccc1Br 409499295 HFXCCYGZJMNRNJ-UKRRQHHQSA-N 443.323 0.922 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3(CC#N)CC3)c2)CC1 430384336 KNJVCUFPFWLAQG-UHFFFAOYSA-N 433.534 0.761 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(OC)nc1 440395896 ZKDDAICDTIRSJH-UHFFFAOYSA-N 433.449 0.573 30 20 ICED COCCN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440629321 XZKVWBRJLLVZBX-VQTJNVASSA-N 434.562 0.531 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCOC1 441967136 RUBJVTYSFIVSNB-OAHLLOKOSA-N 447.944 0.865 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)C2)n1 461318365 MEXMTPAMNKSFKZ-GOSISDBHSA-N 434.566 0.819 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481153045 GFJXEWZTLKYQHJ-YQQAZPJKSA-N 436.534 0.615 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 483046899 XZXDFNVTFUJYHT-UYAOXDASSA-N 427.549 0.385 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 497582364 LXEDWRYIKPMUOU-LJQANCHMSA-N 430.505 0.930 30 20 ICED C=CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 503156014 IHKUGYQZQQDOID-AWEZNQCLSA-N 431.492 0.465 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 505576080 GKCMCRQJHITEOP-UHFFFAOYSA-N 448.505 0.865 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 508798795 XJOJQVXRMVHLBR-KBPBESRZSA-N 432.572 0.079 30 20 ICED COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc32)c1 508981468 SOYOPVYQIHNIJD-UHFFFAOYSA-N 449.467 0.521 30 20 ICED CS(=O)(=O)N1CCC(CNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514002031 RDHHGDUJKUQBOW-YWZLYKJASA-N 431.518 0.713 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 519110013 KPMMOJWTPKQLDF-UHFFFAOYSA-N 430.552 0.173 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 522284607 ARYDMPXRQLVIKT-UHFFFAOYSA-N 443.525 0.745 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)CC2)c1 530843490 NNZJJKOKINWJRI-UHFFFAOYSA-N 447.455 0.292 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 533884043 CQIDOZNSUSEZEX-MRXNPFEDSA-N 426.498 0.973 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H](C)O)cc1 540928022 YVLXCAFTORSCSD-CXAGYDPISA-N 434.522 0.291 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1C 545204514 CGUOUFCAXOMFKH-GOSISDBHSA-N 430.534 0.806 30 20 ICED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 551431712 YVRFQXGRTCUBFI-SFHVURJKSA-N 437.456 0.948 30 20 ICED COc1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nn1 551711797 OCRIPTAGSWPZJR-UHFFFAOYSA-N 434.460 1.121 30 20 ICED CC(=O)NC[C@@H]1CCn2ncc(C(=O)[C@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)c2C1 552048179 JPQBLXVZZINLIT-ZBFHGGJFSA-N 445.487 1.004 30 20 ICED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H](C)O)cc1 553241269 VUXTYFLCWXVUNL-MDYRTPRTSA-N 444.513 0.969 30 20 ICED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 555038742 BATNJUWVOSLLOQ-QGZVFWFLSA-N 438.536 0.952 30 20 ICED COCC(=O)N1CCc2c(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cccc21 556387764 OIXAURCHERSDII-UHFFFAOYSA-N 448.483 0.776 30 20 ICED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592993909 CEUZETNULHZYQI-UHFFFAOYSA-N 440.504 0.925 30 20 ICED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cn2)c1 604510209 PDQTWEAWIIWYFK-UHFFFAOYSA-N 429.458 0.836 30 20 ICED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 615631440 CVINWVFZEYBFHP-KRWDZBQOSA-N 428.417 0.249 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 616591798 BALJFBNAWVEVRL-CQSZACIVSA-N 429.520 0.077 30 20 ICED C=CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)CC1 732481272 UNABPHNSQPMOEV-UHFFFAOYSA-N 428.532 0.868 30 20 ICED COC(=O)c1ccc(O)c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 734750215 KZUKXHVPTZTVTE-UHFFFAOYSA-N 433.490 0.956 30 20 ICED Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C 757588372 BCZPORKQVTWKBT-GXTWGEPZSA-N 442.476 0.430 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758079197 ZXJOVJUDCOVHCH-UHFFFAOYSA-N 435.553 0.813 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758088702 LACSLSXVIXIHJU-XLWVJDPXSA-N 445.925 0.965 30 20 ICED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 771388136 JZCNTPAPPYBCNP-JOCHJYFZSA-N 443.504 0.537 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c3ccsc3)c2=O)cn1 772329397 JGDOWUBDWYHNIF-ZDUSSCGKSA-N 441.538 0.912 30 20 ICED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[C@H]1CCCO1 773545085 AREVONUDEZIYQA-DOTOQJQBSA-N 448.501 0.214 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)[C@@H]1CCCO1 773801242 XOAGMBNMXXFWQN-HKUYNNGSSA-N 433.530 0.903 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 774030009 XXULQNOJGSIBKQ-AUUYWEPGSA-N 425.507 0.570 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)c1 783453657 RXFLZYAOZHYNIZ-UHFFFAOYSA-N 438.440 0.576 30 20 ICED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784785214 RJHJNVPUJDOCAG-JEEMYIIMSA-N 435.506 0.127 30 20 ICED C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)NC1(C#N)CCC1 787582523 UNWNVXUDXICJOW-ZDUSSCGKSA-N 436.490 0.278 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC)C(C)C 799274744 WKZKTTONEQTHCE-MRXNPFEDSA-N 436.534 0.344 30 20 ICED C#CCN=c1nc(N2CCC[C@H](C(=O)OCC)C2)[nH]c(N2CCC[C@H](C(=O)OCC)C2)n1 804318372 IYJNJMQISVKUQV-IRXDYDNUSA-N 444.536 0.898 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 806459067 AZHAVGLGXMCAJL-CYBMUJFWSA-N 430.508 0.156 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CCN1Cc1ccccc1 806708418 KPNLFGTYOCYATM-RTBURBONSA-N 428.489 0.261 30 20 ICED C#CC[C@]1(C(=O)N2CCN(CCS(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 809701399 XLOCPKCDLJEUKA-LJQANCHMSA-N 428.555 0.212 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cc2C)c1=O 838182846 ISGSUUCTPBAWSN-INIZCTEOSA-N 429.542 0.827 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCS(=O)(=O)CC(C)C)CC2)o1 919276526 UCRHHXDBNCJXIY-UHFFFAOYSA-N 426.495 0.507 30 20 ICED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 1211840819 YUKWKOXPLCITEA-UHFFFAOYSA-N 436.412 0.785 30 20 ICED Cn1cnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 1253980514 ARKXDSIWZWGROS-AWEZNQCLSA-N 427.490 0.714 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 1503833626 PHANBUPIEAGQLL-SFHVURJKSA-N 438.485 0.953 30 20 ICED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1513975766 SLXHNJRHBDJBJZ-WBVHZDCISA-N 428.518 0.966 30 20 ICED CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1609892249 QNNZLKSHBFPAEL-QGZVFWFLSA-N 428.541 0.492 30 20 ICED CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)COC1 1691237634 WUEGKJUGQILHON-DJJJIMSYSA-N 449.487 0.965 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1696942640 MNLVPGIRUSJLOO-INIZCTEOSA-N 431.522 0.328 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1711774879 ITEUGRRUJBGPNW-SFHVURJKSA-N 426.477 0.931 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CCO1 1769260171 XPXNZEBJOHMQAU-KRWDZBQOSA-N 426.477 0.716 30 20 ICED CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769316335 UNOYEYDEAJKQGJ-UHFFFAOYSA-N 437.508 0.243 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337710 OTFHIUVGUDASML-QRWLVFNGSA-N 433.465 0.173 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1780806923 DZIODCSGPMKKHN-GCKMJXCFSA-N 449.508 0.876 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781350001 VEEJQMJJNUCQDM-VGSWGCGISA-N 435.521 0.505 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782677456 SXFBAKQKUYOVLY-QFIPXVFZSA-N 444.488 0.090 30 20 ICED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1783542085 HQTPSGAJSNJBKV-FHWLQOOXSA-N 425.570 0.245 30 20 ICED COc1ccc(OC)c(CCCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783566049 XGSLVJUNSOHWIA-QHCPKHFHSA-N 444.484 0.944 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]4CCO[C@H]43)C2)C1 1783643090 QCXYJVBAXCXITI-ZLFGVDQTSA-N 447.532 0.722 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)cc3)[C@H]2C1 1783840649 ZGKUMUDVADUXAW-VIXCZISXSA-N 443.500 0.609 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CCO2)C1 1783885138 CDIBVCKEEAZDPH-VFNWGFHPSA-N 447.561 0.170 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(NC(C)=O)n3)[C@H]2C1 1785530850 RSIKWKPHRANVNK-WMEZAQDKSA-N 428.489 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCC)cn3)[C@H]2C1 1785609382 HRJJOZPQAFVBHU-BQFCYCMXSA-N 446.504 0.978 30 20 ICED CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nn1 1786859765 YXWPSJQJQODFDU-BQFCYCMXSA-N 444.536 0.750 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)s1 1788601839 QLNCWFLFZJTUHB-BCWUPHOBSA-N 434.566 0.840 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)c1 1790270683 WEHLPVCFBOKCDU-WCCBULMPSA-N 442.516 0.111 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4cccnn4)[C@H]3C2)cc1 1791598044 KGWGHBCSPAYDNB-UFYCRDLUSA-N 435.484 0.949 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C(=O)OCC)CC3)[C@H]2C1 1792142501 LMYBUDGUJCAHKW-GTAWCEEGSA-N 449.548 0.873 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1792780224 KJMRHMTVNZFBGN-JTIOYYDXSA-N 441.528 0.559 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836412 BTPCQYHMKXJPQO-SHJAMOMRSA-N 447.919 0.432 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)c([N+](=O)[O-])cc1O 1793262454 NGAKVXBOTIBIQL-VTEUUUEMSA-N 429.429 0.926 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426394 DWFCHZLFXXHEDX-AFIMGQEJSA-N 437.518 0.279 30 20 ICED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C=CCN2)N(C(=O)OC(C)(C)C)C1 1796315640 RPFSHTDBYGGBJM-PJVZLEMVSA-N 446.548 0.670 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549371 MGJCOCKACMEJJE-XEMDLRDOSA-N 441.484 0.643 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1797814986 FULKBCNXEKCDCQ-VPIUVWKISA-N 435.437 0.655 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)no2)c(C#N)c1 1798204128 SNQCOQXJPHJIKM-YVWYUNDQSA-N 426.429 0.706 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1798399940 DYKXEIGRMFMXSR-QTUASDBPSA-N 431.537 0.668 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1)[C@@H]1SC(=N)NC1=O 1798919742 GIFHWNZJJJMKSU-WZYMBKROSA-N 441.513 0.564 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1n[nH]c2cc(Cl)ccc12 1799081040 DEAKBQIAELLDQQ-OYHTYJOISA-N 430.848 0.436 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1CCc2nc[nH]c2C1 1801269289 WPXOKKFTVYXMNL-PTHVEPSTSA-N 428.537 0.576 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CC1 1806852823 DDVABVRRTSRRAV-TZIWHRDSSA-N 438.532 0.555 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1808439427 PEEVXHGYPLGOGD-YLJYHZDGSA-N 426.477 0.889 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H]1c1cccnc1 1812526020 OUGOXRJDCAUELH-FDDCHVKYSA-N 446.511 0.756 30 20 ICED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1814323580 HPZHPXFCVWCHCD-QDBGGYOHSA-N 444.535 0.629 30 20 ICED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816668558 JSHKHKKKXHYNPG-VIFPVBQESA-N 446.518 0.414 30 20 ICED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826015162 HKHDNBFLJUQBJZ-HTQZYQBOSA-N 441.560 0.839 30 20 ICED CN(C)CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805806 FAINPLLYDLCSMW-QFIPXVFZSA-N 427.505 0.914 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1831388671 ZYUXNAUMGVEVRF-JLTOFOAXSA-N 439.871 0.982 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831392886 PVZPQPMNTKUUOA-VGOFRKELSA-N 426.473 0.443 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)C1 1831401491 ATGHKPLXHXYVHW-SBUREZEXSA-N 443.500 0.753 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831412934 IRXFVMFZGLGLOZ-JOCHJYFZSA-N 437.537 0.438 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1831425556 AWRPXOQTOAWQNH-JTSKRJEESA-N 428.489 0.995 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1831427003 RFGFJQSCIPCAET-ZHRRBRCNSA-N 448.520 0.586 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)n1 1831671636 UHEICGXHFSJLCY-GOSISDBHSA-N 442.516 0.995 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831690467 JPMRHCWEBFYFPQ-DEOSSOPVSA-N 441.528 0.657 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832051338 SVORDEDYAQZZCN-VGOFRKELSA-N 435.521 0.866 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1832749217 FPPDYSAISLHHNP-IERDGZPVSA-N 446.529 0.467 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832811794 YIPBKMQXCRJBKC-QHCPKHFHSA-N 444.532 0.497 30 20 ICED Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1834281739 QUDFXCIFBXXWNG-JOCHJYFZSA-N 429.521 0.742 30 20 ICED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834397767 MICNHNONAHIGET-FNEOHHHZSA-N 444.513 0.991 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)CC1 1835426417 ANWYMZXRFQHJRZ-UHFFFAOYSA-N 447.499 0.389 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835667789 QDLKQFGWQCETML-FQEVSTJZSA-N 449.464 0.540 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)CCO2 1836256733 WAMNRWUMBVVEQQ-QFIPXVFZSA-N 440.456 0.214 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836392811 CAGBBUVBWDNVSP-DEOSSOPVSA-N 445.479 0.851 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1837391429 QMECVEXGFGOQIL-XXBNENTESA-N 437.581 0.748 30 20 ICED CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441846 HFKZWEUVSMAJBL-UKKLRFBMSA-N 433.509 0.779 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837485963 RLNKIWOSGQJVHH-KKSFZXQISA-N 428.493 0.427 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837490655 KFHIBEXUUAUZNT-HSZRJFAPSA-N 443.500 0.556 30 20 ICED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837491666 SCJQCDIIRCFGIF-QHCPKHFHSA-N 442.516 0.554 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837493411 DHGPRRXKELLWTH-FDGPYGQJSA-N 446.544 0.709 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)c1ccccc1 1837613222 YGOPEEKWLNSIEC-HYBUGGRVSA-N 441.528 0.728 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837728090 SFRQKDXQJJSPAH-UGKGYDQZSA-N 437.537 0.362 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949297 NLLCXERSNCMDIW-GOSISDBHSA-N 440.403 0.456 30 20 ICED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838581572 AJLOEJRKZPWMNL-JOCHJYFZSA-N 430.505 0.636 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@H]4F)C3)C2)c(C#N)c1 1839132500 HUDZHVSFJKQMMG-NNMXDRDESA-N 431.464 0.924 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1839224999 VHRONFXVIZOUCJ-YCRPNKLZSA-N 444.492 0.829 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839227482 SAEXEWAZLGCYID-RVNBFGHRSA-N 437.541 0.715 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839352136 WLKBANQCNJRSFD-KSFYIVLOSA-N 446.504 0.656 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839890669 LSCKTIPHYZUNDA-LJQANCHMSA-N 429.464 0.667 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1)C(F)(F)F 1839895200 PLHXTRIFRXEMKT-GOSISDBHSA-N 429.395 0.783 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840160171 AOULCFBBVHSUQV-KZULUSFZSA-N 440.478 0.387 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164357 GTVOASIMVRFJMZ-ZFCANOHDSA-N 426.535 0.517 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840817993 FCUKFRHSVBAAII-NFBKMPQASA-N 443.500 0.963 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818470 DUMNQGPDLKAYFP-HYVJGQCMSA-N 445.516 0.800 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840843051 QSIKKGCRVNZASA-HSZRJFAPSA-N 430.501 0.931 30 20 ICED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843168851 AOQFFOIYRRWOAN-UHFFFAOYSA-N 430.408 0.834 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)CC2)cc1 16877392 AWDNVDSPSAPBRB-UHFFFAOYSA-N 445.501 0.555 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410156465 YKHVIIXDQDQQQN-QFBILLFUSA-N 447.561 0.704 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)n2)cc1 427671569 JAYDUKSRUCDHFA-WGMYULTQSA-N 444.495 0.762 30 20 ICED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[S@](=O)C1 433256462 PFGNLMZVPUWGIG-HJWYETAXSA-N 438.575 0.092 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 437350528 XFYVLOQBJGECKX-AWEZNQCLSA-N 429.458 0.964 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1 440955534 XOUXPNZRYMUCIY-QVWMHLQHSA-N 430.530 0.092 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)NCCCC)ccc2C)C1=O 443039173 GUVJVRVBSIQELY-UHFFFAOYSA-N 436.490 0.989 30 20 ICED Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C#N 443902350 AXUVUNPQYJUFRO-UHFFFAOYSA-N 428.536 0.186 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 462966073 NGNANSZOIWLXGD-UHFFFAOYSA-N 429.440 1.261 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 465266670 NUVZWCXPJXFVTI-CQSZACIVSA-N 432.481 0.893 30 20 ICED COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480278266 YYEZFPWKPCUMJH-RDJZCZTQSA-N 441.531 0.536 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccon1 480954864 BUJBASVLZFTTJR-UHFFFAOYSA-N 428.495 0.821 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC#Cc3ccccc3)c2)CC1 490104661 PCWDPUDVKZVIKA-UHFFFAOYSA-N 440.525 0.729 30 20 ICED CCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 505700949 SPFACMKHAXAVGU-UHFFFAOYSA-N 431.587 0.830 30 20 ICED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506863942 GQVFOALUOIHIRN-UHFFFAOYSA-N 435.481 0.783 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 508225204 LIQLJWCVMMERNC-OAHLLOKOSA-N 431.478 0.008 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)C[C@H](C)O1 511935010 NJOJRMQIHKDOHZ-STQMWFEESA-N 441.535 0.056 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3CCS(=O)(=O)CC3)CC2)cc1 533754051 RVEQNTNBGUHZGB-UHFFFAOYSA-N 440.547 0.399 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 542332145 VODBLWHMNJWYAT-UHFFFAOYSA-N 437.456 0.902 30 20 ICED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)[nH]2)c(F)c1 543003091 CXBCERQSQREHOK-UHFFFAOYSA-N 441.452 0.026 30 20 ICED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550268615 KCMXIIHJIVOMHA-UHFFFAOYSA-N 429.296 0.753 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCc3nnnn3-c3ccccc3)n2)c(F)c1 555260361 OHXMHBAVEHQXKW-UHFFFAOYSA-N 445.418 1.156 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 558121154 DTTKCLCHUQFJED-DGCLKSJQSA-N 449.459 0.391 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 561101768 PPCZQAJUGMUIFI-QRWLVFNGSA-N 427.461 0.549 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 579040195 GWOUIPLSAAWXPH-HZPDHXFCSA-N 437.422 0.502 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCCOC2)O1 581391642 PCYVKGXLYLJGBM-ZDWFVDTJSA-N 440.500 0.966 30 20 ICED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)CC2 588135048 MLNRHKCGJSABSQ-AWEZNQCLSA-N 438.492 0.351 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 588292282 WVRMRHRKLRHLSI-CQSZACIVSA-N 443.551 0.071 30 20 ICED CN(CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CCS(=O)(=O)C1 603593908 SSCXPDBGZOMEQP-INIZCTEOSA-N 430.534 0.494 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603988937 MRYCYBHPJCVETK-UHFFFAOYSA-N 439.537 0.863 30 20 ICED CCN(C(=O)[C@@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 610662302 GWLMOJNMESIRSX-GDBMZVCRSA-N 435.550 0.970 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 617610804 RNLDTLQPUMARTQ-UHFFFAOYSA-N 446.489 0.633 30 20 ICED CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 739127927 VJPZFXVOLLEVRA-VKQKCINQSA-N 449.533 0.565 30 20 ICED NC(=O)COc1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 742770945 SVAOWTAQZKNCLL-UHFFFAOYSA-N 430.486 0.686 30 20 ICED CN(C(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)C1CCCCC1 746216281 WHRKCRCRALSMBT-QURGRASLSA-N 431.537 0.838 30 20 ICED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746572343 LTZLKRZRMBMZCX-CQSZACIVSA-N 431.470 0.691 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c1 747932561 YLPFXXXAOVUQCI-ZBBYCGENSA-N 428.445 0.842 30 20 ICED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 751922940 GRZXIKQDFLFUMY-XOWFZZEMSA-N 441.517 0.877 30 20 ICED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 753900443 GQEPEPVMHYVZPZ-CYBMUJFWSA-N 428.461 0.828 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3cc(OC)ccc3c2)c1=O 758067644 HGNJKRUDBHQYET-UHFFFAOYSA-N 447.516 0.970 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758321627 CAMOEAQBCCFDBQ-ZFWWWQNUSA-N 429.543 0.859 30 20 ICED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762942406 VPCWUUFLEYENRI-UONOGXRCSA-N 425.507 0.809 30 20 ICED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)cn1C 766888044 BFHHNSPRSVPHJB-UHFFFAOYSA-N 432.510 0.123 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 767628060 OWZXVSQVFQUHLX-ZDUSSCGKSA-N 436.490 0.927 30 20 ICED CCCN(C)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 770617465 ZIOVENTVOSVZFI-AWEZNQCLSA-N 430.552 0.843 30 20 ICED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)ccc1O 771889209 JCPWHTLXYZXQNY-UHFFFAOYSA-N 445.295 0.645 30 20 ICED C[C@H](NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 772983313 LAXQSFLIWIOALA-DNTCVELPSA-N 434.518 0.885 30 20 ICED CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 782106144 HVYHMAVYYKOUOX-UHFFFAOYSA-N 449.515 0.784 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 787182924 SCDPBBXHZAMUQF-UHFFFAOYSA-N 437.431 0.202 30 20 ICED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1 788670852 HRPYVEOJKCPTJI-UHFFFAOYSA-N 432.506 0.986 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(=O)N(C)C)c2=O)cn1 794611737 NJZZKFTXCOIHHI-UHFFFAOYSA-N 429.546 0.723 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3c(C)cnn3C)c2=O)c1 795196600 YUDVSCDXPIXFPG-UHFFFAOYSA-N 431.521 0.952 30 20 ICED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)cn1 801553025 GGMZZJWOIJWEOB-UHFFFAOYSA-N 448.527 0.864 30 20 ICED C#CCN1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2CCOC)CC1 802422785 JOAQIDBLUJKQRS-UHFFFAOYSA-N 446.577 0.809 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 813980350 BTRSMZLQAUFSQU-IBGZPJMESA-N 425.426 0.152 30 20 ICED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 815448180 HWEFBNMINAAVSG-HNNXBMFYSA-N 444.492 0.771 30 20 ICED COc1ccc(OC)c(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 821731808 MUYHEOXEEKHIMN-UHFFFAOYSA-N 433.442 0.924 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1 863917541 LKOXISKEKSWSMJ-QGZVFWFLSA-N 428.514 0.742 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)cc1 878407020 IXGGPTRKRJOIKK-WMZOPIPTSA-N 449.529 0.503 30 20 ICED N#CCCN(C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652581 FWSRFTVMGULSTN-RDJZCZTQSA-N 433.486 0.512 30 20 ICED COc1ccc(S(=O)(=O)NCCC(=O)NCCNc2ccc(C#N)cn2)cc1OC 914859630 VYZQZGBUPZDSDQ-UHFFFAOYSA-N 433.490 0.867 30 20 ICED COc1ccc(C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)N1CCOCC1 917155669 YBADEBJNXXPNGT-UHFFFAOYSA-N 445.501 0.825 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1=O 917438688 URPPBDNZGXUFOK-KRWDZBQOSA-N 431.537 0.472 30 20 ICED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc2)CC1 918266315 XNFBGQPMSKFOTJ-UHFFFAOYSA-N 449.515 0.437 30 20 ICED N#C[C@@H](C(=O)CCN1CCCS1(=O)=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 918488903 GCXQKTWXGGKMAP-NSHDSACASA-N 438.418 0.439 30 20 ICED N#Cc1cccnc1NCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 918575136 DCNYROWXKNLTHA-UHFFFAOYSA-N 430.490 0.279 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1=O 1313921516 NPECPHHDUUIWMZ-UHFFFAOYSA-N 435.492 0.964 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1F 1326874180 RDQREDXDHQOKFA-CYBMUJFWSA-N 445.472 0.042 30 20 ICED COCCn1cc(N2C[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cn1 1358457535 ZRUQCVPMSRSFQH-QGZVFWFLSA-N 437.504 0.934 30 20 ICED CS(=O)(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1557515406 MOWMDDJGBQSOKX-UHFFFAOYSA-N 427.548 0.979 30 20 ICED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1696676589 IZSRYFVOXKGDES-UHFFFAOYSA-N 431.522 0.571 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1698309602 QWHZATPMJYPHOM-MRXNPFEDSA-N 448.574 0.667 30 20 ICED CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOC1 1729953183 IUVQMQPOTJZSNE-KKSFZXQISA-N 426.477 0.846 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCOCC3(C)C)CC2)c1C#N 1742669223 LFTZIJDNPZRUKY-UHFFFAOYSA-N 427.557 0.938 30 20 ICED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1746950599 OUBHWCLGYHMVBP-NVHLDHDQSA-N 440.570 0.948 30 20 ICED Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1762597768 WXLYRGYPEBJYPT-NRFANRHFSA-N 444.561 0.720 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586468 GJWRXSNSBPZCRS-GCKMJXCFSA-N 426.477 0.290 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778958924 ZQRBAFHDEBKHBM-AOMKIAJQSA-N 427.505 0.904 30 20 ICED O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccc[nH]1 1779015954 HLYMCRWFAQMTNW-BHSKHCGUSA-N 444.536 0.436 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779099612 JFSKHXZDDXIKBU-QEPGBGQSSA-N 433.509 0.630 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1779105170 KSWKKQLTKFHBQU-JOFDYHQFSA-N 435.437 0.895 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780015558 CTANYARSPHJDCN-HXUWFJFHSA-N 431.518 0.694 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780170050 YDNWCOIEURITDV-DYESRHJHSA-N 429.477 0.457 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2C1 1780335902 PJHOCMCGACLTDJ-QFIPXVFZSA-N 437.504 0.676 30 20 ICED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781797519 RLBCREQJQQKAJF-NFBKMPQASA-N 442.516 0.977 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635083 QOZGTFGXCDKUIR-XUYQLWACSA-N 447.492 0.474 30 20 ICED COc1cc(N2CCC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)S)C4)C3)CC2)ncn1 1783888070 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DZKJGKPANDVAEE-YVSHKSEASA-N 443.500 0.712 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1840291420 UVSCKLICRULFNE-VFNWGFHPSA-N 435.477 0.002 30 20 ICED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840388355 TZFSDGKSDYGMPT-JOCHJYFZSA-N 440.504 0.942 30 20 ICED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813802 WVWLETFDSOOOHI-QFIPXVFZSA-N 442.472 0.632 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847473611 RYNVEXDQDMFGQV-HOTGVXAUSA-N 425.809 0.618 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2=O)cc1 434423993 XSPWUENMZYTBGX-RBUKOAKNSA-N 445.545 0.869 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 439573445 OUPXHVNUHPIFMV-UHFFFAOYSA-N 437.460 0.360 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCOc2ccc(C#N)cc2)c1 440031363 VIXLNDZWQUNCAX-UHFFFAOYSA-N 431.474 0.783 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCOC1 441961797 CBVQQSQKZLEGKA-MRXNPFEDSA-N 427.526 0.520 30 20 ICED CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1(C)C 443122295 YTFWYCDSKFOEJE-UHFFFAOYSA-N 427.484 0.964 30 20 ICED Cc1cc(-c2nc(CC(=O)N3CCS(=O)(=O)CC3)no2)nn1-c1cccc(C#N)c1 445553526 YETTUXLIDLVAKI-UHFFFAOYSA-N 426.458 0.902 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460617749 GEWGNDDUMVXAEZ-UHFFFAOYSA-N 447.455 0.861 30 20 ICED N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 462291907 CKAHURDRYFINFM-QGZVFWFLSA-N 440.485 0.055 30 20 ICED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481155290 KTZQZPAYRBGXCF-YQQAZPJKSA-N 436.534 0.615 30 20 ICED COc1ccnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 481809163 OLRAJJZHIQLLBX-HNNXBMFYSA-N 429.502 0.977 30 20 ICED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 487008468 UKGNUHWRXKMZFW-UHFFFAOYSA-N 436.412 0.882 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)CC2=O)cn1 499019777 HJXRAJQKCGUVCS-UHFFFAOYSA-N 431.250 0.868 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CCc2cccnc2)c1=O 505641564 UTFQPVMCECFZNQ-QGZVFWFLSA-N 449.536 0.698 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512764380 FFZXQODWRWWFIZ-UHFFFAOYSA-N 427.440 0.102 30 20 ICED CCN(C[C@H](CC(C)C)NS(=O)(=O)N(C)CCC#N)S(=O)(=O)N(C)CCC#N 513848827 OBOOMGYQADXEER-INIZCTEOSA-N 436.604 0.493 30 20 ICED Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCN(C)CC3)c2=O)cs1 516371738 SNCSJKBTQWZMJN-UHFFFAOYSA-N 431.587 0.969 30 20 ICED COCCOC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516888946 NUYBFUVXGUTHFZ-OALUTQOASA-N 428.489 0.287 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 521471369 AZHYECDRDYASKK-UHFFFAOYSA-N 428.537 0.135 30 20 ICED COCC1(O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 535382538 JRPMABLKMSJXLD-UHFFFAOYSA-N 429.477 0.928 30 20 ICED COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H](C)n2cnc(C#N)n2)c(O)nc1=O 538403210 NPZNCHHQTLDCSM-CYBMUJFWSA-N 438.448 0.435 30 20 ICED N#Cc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(C#N)cc3)CC(O)C2)cc1 539882189 OLMCVLNPAYRGEF-UHFFFAOYSA-N 432.484 0.986 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)C1=O 540257586 YFAYGWARMKREIX-HOTGVXAUSA-N 436.509 0.080 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)CC1 553735079 QKLSHSZQQWBIEA-QGZVFWFLSA-N 448.568 0.968 30 20 ICED Cc1nsc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 555154962 VJLZKVBEYBABJS-XJNFMUPTSA-N 440.529 0.962 30 20 ICED N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 559638433 PZWKIMDIUKUFOE-UHFFFAOYSA-N 427.324 0.906 30 20 ICED CN1CCN(C(=O)c2ccc(CNCCS(=O)(=O)c3ccc(C#N)cn3)cc2)CC1 567459183 LMPCNBDNBOEMFL-UHFFFAOYSA-N 427.530 0.904 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1C#N 573408715 HXTXGSRAXPZLGC-UHFFFAOYSA-N 436.494 0.368 30 20 ICED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 577023254 VZOBYRFFSWUEFM-UHFFFAOYSA-N 444.499 0.927 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 582372900 UPPGZCVPOLMJDB-CABCVRRESA-N 439.586 0.254 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 589437734 AJVAFICNXQIGMM-UHFFFAOYSA-N 448.530 0.519 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590897274 IRQNTVHGPPKGQW-UHFFFAOYSA-N 427.482 0.862 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 604270461 PZGCGGSQCRBTQV-UHFFFAOYSA-N 438.962 0.742 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 610697798 GXJZBODKHCJMHK-GFCCVEGCSA-N 433.469 0.555 30 20 ICED CSc1nc(O)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1C#N 615487995 UJHJGOHBGWAXBA-UHFFFAOYSA-N 433.515 0.991 30 20 ICED C=CCN1CCC(NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 675261485 KHJAVSMAVKPMMM-UHFFFAOYSA-N 428.493 0.951 30 20 ICED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3)NC(=O)N2)CC1 728573540 ZHOVCQHCYJWXOI-OAQYLSRUSA-N 439.516 0.225 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCS(C)(=O)=O 731204220 BGWSWLWFGUGPEA-UHFFFAOYSA-N 445.566 0.377 30 20 ICED CN1CCN(CC2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 732105665 CGEIQACTOFZDTA-UHFFFAOYSA-N 447.605 0.991 30 20 ICED O=C(CN1CCOCC1)Nc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732415712 FDAVWBSCGQPVQZ-FMQUCBEESA-N 442.476 0.605 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 732466986 RTJJLRZPOCJYAQ-HNNMJWTQSA-N 446.552 0.345 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)cc2)c1=O 732663311 QJGWZOQARWRYHO-UHFFFAOYSA-N 433.530 0.774 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732908722 QAIVUFVWBKQKIL-INIZCTEOSA-N 441.531 0.297 30 20 ICED CCOC(=O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc2C1 749525394 CEOQKOITTOKHAO-UHFFFAOYSA-N 427.482 0.942 30 20 ICED C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749670090 LENMFMMFHPLICB-SXNXEAAASA-N 433.494 0.234 30 20 ICED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 752881013 LEOAYKIODLUWKU-ZIAGYGMSSA-N 449.533 0.763 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755185102 LEIRHNHJHLRDJM-CHWSQXEVSA-N 426.470 0.446 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 755519040 FWUCPKSQJMXNBF-PGMHBOJBSA-N 435.506 0.129 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)C1=O 755670272 PCMJGJKJTFHLQZ-ACJLOTCBSA-N 442.542 0.789 30 20 ICED N#Cc1cccc([C@@H]2CN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CCO2)c1 761756494 AAPMXZBYQZMERB-PMACEKPBSA-N 432.546 0.263 30 20 ICED C[C@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 764553436 CXODWVUIWPQHFI-NUPQKNFTSA-N 429.454 0.819 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 773042307 PEESWCBTLQYDIV-INIZCTEOSA-N 437.518 0.964 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@H]1CCCO1 773794274 LMISECWTGXGOAD-VQTJNVASSA-N 426.517 0.629 30 20 ICED CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 774293908 AOMUSMPBNAHILD-OAHLLOKOSA-N 431.518 0.864 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)CCCC#N 776122297 ONIWPUNMIZBKRX-UHFFFAOYSA-N 431.492 0.079 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777469568 GLFCHZRYWYQEAZ-ZDUSSCGKSA-N 441.535 0.049 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccn2)c1=O 781662635 CTJVFVJCJUBTNN-UHFFFAOYSA-N 431.539 0.612 30 20 ICED C#CCNS(=O)(=O)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1 782960152 SHDMUWPJBNQQHR-UHFFFAOYSA-N 432.546 0.928 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N3CCSCC3)CCCC2)n1 789707808 SETQFRBKUIQBAR-UHFFFAOYSA-N 447.605 0.969 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 794582669 XQCUFYMLMUZNMS-OAHLLOKOSA-N 443.481 0.963 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 800654868 HMNCOYXRELRUJU-UHFFFAOYSA-N 439.559 0.628 30 20 ICED N#Cc1ccncc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 805716811 YWHQGMXPXZYYEE-UHFFFAOYSA-N 430.442 0.770 30 20 ICED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cc1 807588298 KPQFDJRTAGLDHW-LJQANCHMSA-N 449.515 0.479 30 20 ICED C=CCCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 808536530 LSAGHCXOHIEBBT-UHFFFAOYSA-N 444.554 0.162 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812276701 OURGGCSOXFDUBP-UHFFFAOYSA-N 437.472 0.399 30 20 ICED CC(C)OCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 813055273 WZUIZHRZWXIXJO-LTGZKZEYSA-N 426.495 0.911 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 815783789 ZMSZEKSGZKIPPV-UHFFFAOYSA-N 449.460 0.961 30 20 ICED O=C(NCC#CCO)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 816537376 CLWLPSGIMXWUBR-LBPRGKRZSA-N 431.308 0.632 30 20 ICED COc1ccc(C(N)=NOCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 917401996 QEDDHOQIQFOSSC-UHFFFAOYSA-N 448.501 0.992 30 20 ICED CCCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 919800334 IYLAPGWRQYJMSR-RELWKKBWSA-N 435.550 0.992 30 20 ICED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1303001181 PCGNHQGAFANHAR-HOTGVXAUSA-N 441.579 0.745 30 20 ICED C#CCNC(=O)C1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1321473193 GFUULKYVSZPOLX-SFHVURJKSA-N 428.489 0.535 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccccc2C#N)C1=O 1321706274 JSJBBBHQNSWUFE-LJQANCHMSA-N 430.417 0.969 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1508375771 LPWDMDSJBJLQRB-YIFZBPKDSA-N 440.504 0.698 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)CC2=O)cc1Cl 1544135234 ZGJWGJIOBSEZKN-JSGCOSHPSA-N 439.925 0.596 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1611677096 IWWAMZQJYAXYNL-RDJZCZTQSA-N 439.586 0.475 30 20 ICED Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cn1 1693102299 NLUZLOVCFONWDK-IAGOWNOFSA-N 447.521 0.092 30 20 ICED CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1695433095 VXXFOCFQSOKNBJ-UHFFFAOYSA-N 446.533 0.880 30 20 ICED CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1741093859 QYBLLDXUZDXZEI-KRWDZBQOSA-N 445.549 0.718 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CC1 1751213734 SNDCTBLQZVYIRB-HNNXBMFYSA-N 437.570 0.493 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1752525536 NGXAZCMIXJBQPB-ZSDSOXJFSA-N 439.524 0.767 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139666 ZFHSFNWKZFHHKV-AMEKCAKRSA-N 426.477 0.819 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780195064 MLVWUCLBKWAKHY-QKKBWIMNSA-N 447.444 0.791 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Cn1cncn1)C2 1780738402 AHWAMBPSMQXTKW-NJNPRVFISA-N 447.536 0.938 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)COCCO)C3)c2c1 1780766606 JREYMSARIHPOSM-XMSQKQJNSA-N 441.488 0.571 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc4cccnc4cc3F)C2)C1 1781181496 SBUMZAJZRIKPHI-QFIPXVFZSA-N 425.416 0.834 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782081866 CJYDXIMYNMAZSQ-VTJXTGGHSA-N 437.493 0.502 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782179668 UPBJZOVYZRMIDW-SPLOXXLWSA-N 441.444 0.953 30 20 ICED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1783577202 GITWCQFPSSPCQI-BURNTYAHSA-N 426.517 0.995 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1783680599 GGPSVMLWHVNCIT-JQFCIGGWSA-N 434.518 0.628 30 20 ICED O=C(Cn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1787085219 JMMOCLGLYCYVHZ-OZZMQFRTSA-N 429.502 0.758 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787616676 DWAXUUDNICDBBA-DKIMLUQUSA-N 445.520 0.920 30 20 ICED 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440.905 0.447 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840854485 CMHBTFUDCNPDDW-UWJYYQICSA-N 431.493 0.261 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)CC 1847789938 GPLDAQSKMLWCQO-PMPSAXMXSA-N 441.550 0.540 30 20 ICED Cn1c(=O)c2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2n(C)c1=O 32466692 OQKHOXLINBRWCX-UHFFFAOYSA-N 432.484 0.852 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1F 111078223 JBQSRGKZXZPHJH-OAHLLOKOSA-N 426.514 0.607 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CCN(CC=C)C3=O)O2)C1=O 410120162 PEAQZBBWINPKAV-XLAORIBOSA-N 432.521 0.025 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C1CCC1 430979504 VZAQVIAMYJZBON-UHFFFAOYSA-N 446.460 0.948 30 20 ICED CCOc1ccc(NC(=O)C(=O)N[C@H](CC)CC#N)cc1S(=O)(=O)N1CCOCC1 439559379 DGWJDAXCEZQKMW-CQSZACIVSA-N 438.506 0.853 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCOC1 441920824 FAASZQGOZGAOMK-OAHLLOKOSA-N 442.497 0.882 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCOC3)c2=O)cc1 441922370 IMLJJKPERRZNLG-GOSISDBHSA-N 441.553 0.774 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 441947713 FFXWJIRDJIILOE-CYBMUJFWSA-N 426.523 0.685 30 20 ICED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CCN(S(C)(=O)=O)CC1 441956249 RUUWHVHYOJLUDZ-UHFFFAOYSA-N 448.480 0.704 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2CC)CC1 446166870 DORINLFAWKBRGS-UHFFFAOYSA-N 440.569 0.914 30 20 ICED Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460606886 DKOAHYULGSUJSH-UHFFFAOYSA-N 431.456 1.241 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 460688917 YEEMZPRFVVTBMA-HNNXBMFYSA-N 436.453 1.031 30 20 ICED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 474515296 RMLYNDXBNBOAIH-QGZVFWFLSA-N 432.436 0.812 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ccccc2C#N)CC1 475461975 SEUAZKQLJAAVRV-OAQYLSRUSA-N 425.489 0.822 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)C1=O 477352410 NFLPAIJTRYBVEI-UHFFFAOYSA-N 445.432 0.619 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 478255657 RVCOMWWWKXLFMN-ZDUSSCGKSA-N 437.499 0.630 30 20 ICED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)c1 478843109 GXILHQUQEXHUNT-INIZCTEOSA-N 428.510 0.971 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480110888 QZHJLUBKUBJCOC-JKSUJKDBSA-N 435.550 0.284 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccccc1 480475640 XTBJCSFDGJNJEI-CQSZACIVSA-N 436.515 0.320 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)C1=O 483493886 HFVPLCPSUQDTAP-OAHLLOKOSA-N 427.461 0.299 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](S(N)(=O)=O)C1 484811454 OCSFMOOXCVNBMP-LLVKDONJSA-N 432.296 0.988 30 20 ICED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 485729529 BDJZGHIMPJHKIQ-PXNSSMCTSA-N 433.578 0.663 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)CC2)o1 488745663 DWYJMMMBOJXDRD-UHFFFAOYSA-N 428.453 0.945 30 20 ICED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 489032765 BBWDCATWRBDFMB-DOTOQJQBSA-N 425.510 0.983 30 20 ICED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2=O)c1 505073353 FMASMPSYCDRPJA-QGZVFWFLSA-N 440.460 0.983 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 510232742 ZGVBGFSBGSKDCS-LPHOPBHVSA-N 447.561 0.847 30 20 ICED N#C[C@@H]1CN(C(=O)NCc2ccccc2S(N)(=O)=O)C[C@]12C(=O)Nc1ccccc12 513721500 XJJYCORIFNSZKB-VLIAUNLRSA-N 425.470 0.889 30 20 ICED CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521447754 URTADNNXAIDRCL-UHFFFAOYSA-N 442.563 0.731 30 20 ICED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 524561045 NEVDFHMRAZURMG-UHFFFAOYSA-N 434.449 0.877 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 531560889 OLKYNGVNMZSEGQ-UHFFFAOYSA-N 426.523 0.639 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n(CCC#N)n1 533318207 NDBCTDHDLZJWHX-UHFFFAOYSA-N 443.552 0.979 30 20 ICED CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)no1 539205462 IMZVEYKFLJGBMJ-OAHLLOKOSA-N 442.480 0.869 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1=O 547050626 WMVRKVUCRPCQQG-UHFFFAOYSA-N 445.457 0.998 30 20 ICED N#Cc1ncn(CCNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)n1 553474621 WEGODOYVLBMCOJ-MRXNPFEDSA-N 427.465 0.323 30 20 ICED COc1ccc(-c2noc(CN3CCN(C(=O)NCCn4cnc(C#N)n4)CC3)n2)cc1 553967602 TWPVNWUHJASYNO-UHFFFAOYSA-N 437.464 0.736 30 20 ICED COCCn1nnc2c1CCN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 555572599 UOQDGKRGHNQODV-NRFANRHFSA-N 441.511 0.831 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)c3cccc([N+](=O)[O-])c3)n(CC(N)=O)c2=O)c1 561245647 GLBNTDRDGCWCGU-UHFFFAOYSA-N 448.460 0.998 30 20 ICED CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 566031544 RJALMQLKHFVIOU-JPYJTQIMSA-N 440.500 0.966 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)CC1 582683810 LFQHFAOGHUEEMN-GOSISDBHSA-N 443.548 0.227 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)CC2)nc1 587654773 RVJDOYZNJAVMBJ-UHFFFAOYSA-N 427.505 0.694 30 20 ICED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587665593 QFEWCSLGWQWNCB-INIZCTEOSA-N 428.537 0.342 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C 592993970 NMUHOTSFGRJCMB-UHFFFAOYSA-N 426.477 0.586 30 20 ICED Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1-n1cnnn1 603574370 ZKCVEASYJHFZQZ-UHFFFAOYSA-N 437.485 0.989 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3F)c(=O)n2CC)CC1 603924473 BEOGXERYAIWLJK-UHFFFAOYSA-N 432.496 0.875 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cc1 604269897 HUAIOKXJCYXBIB-UHFFFAOYSA-N 442.541 0.282 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 609686337 BHYZPFLTTVOYCY-SFHVURJKSA-N 443.552 0.662 30 20 ICED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 611609402 TWUPMXYIOMVPRM-CYBMUJFWSA-N 438.444 0.819 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCCNc3ncccc3C#N)cn2)CC1 732699586 CEWSGDMDOUFEHV-UHFFFAOYSA-N 444.521 0.663 30 20 ICED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732909358 AFLLBFQZQCOWTC-DGCLKSJQSA-N 425.413 0.284 30 20 ICED N#C[C@H](C(=O)c1csc(I)c1)C(=O)N1CCS(=O)(=O)CC1 732909815 GSIRRTIADFAJGI-SECBINFHSA-N 438.268 0.932 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735003574 HAKMPTCBDFGPTD-OQKWZONESA-N 447.517 0.929 30 20 ICED CCOC(=O)c1cnn2c(O)cc(COC(=O)CCN/C(O)=C3/N=CC=CC3=O)nc12 741339822 BSFVKBQBRUXPST-VLGSPTGOSA-N 429.389 0.571 30 20 ICED COC(=O)C[C@H](C)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 746621187 XBHCNNWTDPHESE-CABCVRRESA-N 436.534 0.600 30 20 ICED N#Cc1ccc(CN2CCCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)cc1 748106266 MDUPSOBEAVUBBJ-UHFFFAOYSA-N 435.550 0.438 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 755550440 JYGUHSTZBBAXGE-CWRNSKLLSA-N 432.481 0.876 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CCOC 759689569 NRSJSNNHIHVXCK-UHFFFAOYSA-N 439.896 0.614 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccn(C)c3)c2=O)c1 763460668 LSRXHWLBMJZKMG-UHFFFAOYSA-N 432.505 0.484 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 766014630 BEHJZIWFGXEGHB-HOCLYGCPSA-N 436.534 0.191 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2C)c1=O 777942393 WUZBBHDHWSSCMP-UHFFFAOYSA-N 431.489 0.366 30 20 ICED COC[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)OC 781541508 UCMHBDWNMGXPTG-IKBYJFNHSA-N 426.495 0.216 30 20 ICED C#CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 788300978 ZTOVOZUZXICKQR-JPYJTQIMSA-N 448.564 0.829 30 20 ICED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790834546 QXAOMYMBROCMJZ-UHFFFAOYSA-N 446.547 0.756 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2CCCOC)c1=O 802723916 RTGNPLFFAASTSA-MRXNPFEDSA-N 440.525 0.275 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)nc2)c1 803253066 LHSSGYIIXHLTQY-UHFFFAOYSA-N 438.483 0.989 30 20 ICED COc1ccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2c1C(=O)CO2 811035180 DSIQMKJNOUKRMI-UHFFFAOYSA-N 444.421 0.735 30 20 ICED O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@@H]1CCCN(O)C1=O 816759287 JSSAIIYNRDVSSK-QUCCMNQESA-N 436.468 0.996 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 838165706 DMKNEVRWAIRIOQ-CQSZACIVSA-N 431.514 0.219 30 20 ICED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 849070123 DMWNJBCHWBDVLW-SFHVURJKSA-N 439.582 0.141 30 20 ICED CC1(C)NC(=O)N(CCOC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 914619946 MNMBHYWEWGDMDZ-UHFFFAOYSA-N 448.501 0.833 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)COc2ccccc21 1319794045 LONLGWXNLZYQJE-AWEZNQCLSA-N 428.470 0.767 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSCCS1 1611711345 MSVSMGOANXSGEF-AVGNSLFASA-N 432.597 0.466 30 20 ICED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1662973794 MHCNZMMGQSXGSE-UHFFFAOYSA-N 432.506 0.810 30 20 ICED CCCN1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1683284394 UPDXBXNFMSYYKK-QGZVFWFLSA-N 433.534 0.833 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1692473390 SFCIHOYMZCDUMH-CVEARBPZSA-N 427.575 0.690 30 20 ICED C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)N(C)C 1751143617 INCNFUYUFCCUPT-CVEARBPZSA-N 439.586 0.691 30 20 ICED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1767784222 QPMCHHROAICBKS-QVKFZJNVSA-N 428.493 0.841 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443634 OYDUQXMSYVYBIT-NRFANRHFSA-N 425.493 0.455 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779100881 FSDPEFTWVNGYLM-MJWAHQGTSA-N 438.481 0.188 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1779365455 AYCQOGAWCWUJQB-XZYKOBSISA-N 433.509 0.766 30 20 ICED CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n(C)n1 1779623598 MGORFWVUOKDBRK-RETMYHCQSA-N 433.509 0.955 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3ccncc3=O)C2)cc1 1781486409 INELRYIRGNLGNF-AUSIDOKSSA-N 435.484 0.943 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782562951 DGJVNNSJBYNZGQ-DYESRHJHSA-N 431.541 0.464 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)c1 1782676671 MCYYZNQQSYMLHG-QFIPXVFZSA-N 437.456 0.885 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782958989 GIQKHPXBTKMAEE-NQIIRXRSSA-N 431.514 0.887 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782959922 BKMSMKJAECDUHN-GHTZIAJQSA-N 447.513 0.344 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)CCO2 1783053052 UMMKBMYZGSROGB-SFHVURJKSA-N 425.894 0.788 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)cc1 1783277635 GXDTZZYMTFUPDK-XMSQKQJNSA-N 427.505 0.673 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1784202057 YPLFJNVBABFTQQ-OAQYLSRUSA-N 430.461 0.780 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1785077873 FSALVSCDRFEGCU-IQMFZBJNSA-N 448.483 0.960 30 20 ICED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377730 QUSCSKXYUYMVFJ-OAQYLSRUSA-N 429.477 0.038 30 20 ICED O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787082203 KRAYZPIRCDRNGL-HNFFUWDWSA-N 445.520 0.461 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3C2)CCC1=O 1790141707 FEKIPUVSIORUHG-BJLQDIEVSA-N 437.500 0.954 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)[C@@H]2C1 1791026956 TYBJLPQTGWHBEN-YDRUYBAWSA-N 432.521 0.993 30 20 ICED CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791307024 SWKTVBXQOXPABD-OKYOBFRVSA-N 438.590 0.779 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422032 BNYWTZHKWZYZSJ-IIZPIQPGSA-N 426.517 0.995 30 20 ICED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C3)C1 1792439951 VGDVMLOLEPQXKI-DRYZZIBHSA-N 441.528 0.722 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793163774 QNAQGWSIBWAIFF-HGKCTWBKSA-N 428.445 0.222 30 20 ICED CCC(=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 1793246928 SNCXNHVSIRMMLI-DBDYQOSUSA-N 430.480 0.744 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1793596180 RDXONARIPHXMPN-UHYHSIBKSA-N 429.539 0.834 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184759 BBXSKHAJSOTLGP-BTTYYORXSA-N 428.449 0.179 30 20 ICED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1797839169 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NKNLZZUNJFYLCR-MXLMJNFFSA-N 449.548 0.913 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)NC(=O)OC(C)(C)C 1801928277 SIGZQUPCMDXWBC-STEXWYFWSA-N 448.564 0.964 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1803553514 UESATWNLJMQMFT-WEMWZYORSA-N 431.489 0.742 30 20 ICED N#CC1(C(=O)N2CCC3(CCCN(C(=O)CN4CCS(=O)(=O)CC4)C3)CC2)CCC1 1806703049 YZHYJWHDZUQCPO-UHFFFAOYSA-N 436.578 0.642 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2nn[nH]c2C(F)(F)F)[C@@H]1c1cccnc1 1811563526 QHQRLFPVKFOMIV-ABAIWWIYSA-N 436.350 0.626 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1812669739 KHCLPJYZXBCGTI-RCCFBDPRSA-N 438.475 0.949 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814555656 QLKHSVVUVHAVPU-GEXIGZQTSA-N 433.534 0.246 30 20 ICED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CNCP(=O)(O)O)sc3C2)CCC1 1814773226 DICRBSUFBXSYFX-JTQLQIEISA-N 427.423 0.474 30 20 ICED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc(C)c(O)nc2=O)[nH]n1 1815205480 XGTDAXFMWSLWPB-ZBFHGGJFSA-N 442.476 0.711 30 20 ICED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)C(=O)C(=O)O 1821714859 CCDZRPCWFRBEHT-SBUZPKSBSA-N 444.448 0.657 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828955502 IXBDUZCKIUMZKN-FDDCHVKYSA-N 444.532 0.988 30 20 ICED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc(C#N)cc4)CCO3)C2)n1 1829629969 KZBKOGLHCWKADS-HSZRJFAPSA-N 437.500 0.995 30 20 ICED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829903353 PWMABLNXUJCMDM-WKRVVKTRSA-N 447.557 0.716 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1830058405 YVHWCZCJPWTBGF-QFIPXVFZSA-N 426.473 0.550 30 20 ICED CN1CCN(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1830249044 SJFOWAZTCMCGLX-IBGZPJMESA-N 430.549 0.474 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)C1 1830707612 SFTVPXNDMNHXLU-GRXQJBFDSA-N 442.578 0.987 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1831386558 AIBZHNALZPEMCC-KSFYIVLOSA-N 434.464 0.943 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1831386862 KMHZIZVFHSGGAY-GCJKJVERSA-N 433.505 0.719 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)C(F)F)CCO2)C1 1832191053 RKCSSSNKPZZXKS-SJCJKPOMSA-N 426.407 0.916 30 20 ICED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834127040 HEMLQXPYNXAECZ-QFIPXVFZSA-N 445.520 0.442 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1834715222 ITBAVCXJJLBGPG-UHFFFAOYSA-N 430.557 0.132 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C[C@@H]2C[C@@H]21 1834755712 JSNGIFBJTOOZMX-DOWNOZBLSA-N 448.520 0.754 30 20 ICED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1835732385 QWMXDNJSZBPMQJ-PXLXIMEGSA-N 431.541 0.772 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969256 ABQKHZZTWVDKFQ-AEFFLSMTSA-N 430.958 0.947 30 20 ICED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)n1 1836072389 BSGAXZLBBFMDIH-OAQYLSRUSA-N 443.435 0.702 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140674 XHZXJQJLCGTVSS-OAHLLOKOSA-N 432.525 0.756 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc4ccccn4n2)CCO3)c1 1836397184 LIIWLKFBSGMZTL-HSZRJFAPSA-N 446.467 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837481499 JQSCTWKFSOAFOE-PNLZDCPESA-N 447.536 0.307 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732971 GXHKBEDNJHETIN-OAQYLSRUSA-N 425.445 0.674 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCC5)C3)C2)c1 1838737313 NZNOXSJDRNFVJC-QFIPXVFZSA-N 438.488 0.803 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)cc1 1838951279 IUOGWRQDFGWLBZ-QHCPKHFHSA-N 446.467 0.985 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)c1 1839421547 XLQXUGSHSYZXMC-NRFANRHFSA-N 444.419 0.561 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)ncc3F)C2)C1 1839808114 LVYYYJNOTSXUCT-KRWDZBQOSA-N 426.242 0.686 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839886710 JTJYQWUMLUVASI-SFHVURJKSA-N 433.521 0.703 30 20 ICED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840170931 DYSSNNWXVJNWCU-IBGZPJMESA-N 439.559 0.107 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384276 VTXDKZADKBLMIN-JOCHJYFZSA-N 448.520 0.629 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H]3CCOC3)CCO4)c2c1 1840538941 YPVMGRXVYZSOBI-AOMKIAJQSA-N 439.472 0.541 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)ccc1F 1840609003 JAWFRHGDMKPPPT-LANGDILFSA-N 443.475 0.589 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840841738 SWPUCGVTEHCAQK-SFHVURJKSA-N 426.395 0.979 30 20 ICED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc3nnc(Br)n3c2)C1 1843127069 GNARQEIMIHMFSD-UHFFFAOYSA-N 432.234 0.397 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1846979674 GKVKRUBEBHQVDW-UHFFFAOYSA-N 444.451 0.857 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c(O)n1 1848029312 FLDHDUFGATVOFV-HOTGVXAUSA-N 427.461 0.273 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 29026069 KQPPJNPDFSHERH-UHFFFAOYSA-N 447.561 0.649 30 20 ICED CC(C)[C@@H](CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)NS(=O)(=O)N(C)C[C@H](C)C#N 410401164 KUPUMTPIYOYUSW-OWCLPIDISA-N 436.604 0.205 30 20 ICED CN(CCCN(C)S(=O)(=O)c1cccnc1C#N)S(=O)(=O)c1cccnc1C#N 428419497 MRVAOFZKNJWGJO-UHFFFAOYSA-N 434.503 0.551 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C2CCC2)c1=O 431040107 ZFAVTDCOBBWEFF-OAHLLOKOSA-N 442.541 0.976 30 20 ICED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CC1 441918663 ANOKSIVISYAMIV-HNNXBMFYSA-N 433.534 0.712 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2)c1=O 442225355 KWKVIQXJKAAYLL-UHFFFAOYSA-N 446.402 1.345 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCSC 443549318 LKGUKJPIUXJWLG-UHFFFAOYSA-N 445.566 0.473 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 464951292 LUIYBHLORYYGEQ-UZLBHIALSA-N 431.566 0.776 30 20 ICED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 490111511 CTMKIKCUQZDSAN-MJGOQNOKSA-N 444.517 0.845 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 491213605 NQOKFUUBJKZEKF-UHFFFAOYSA-N 425.493 0.269 30 20 ICED C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 505639844 XMDPGHWLNFWLIR-LREMKWBOSA-N 436.468 0.721 30 20 ICED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CC(O)(CC#N)C2)c(O)nc1=O 506373684 VNLZIWALCGPVIT-UHFFFAOYSA-N 448.524 0.587 30 20 ICED COCCN(C(=O)CNc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 510126167 ZQIGXEJTBOTGSS-CQSZACIVSA-N 435.481 0.957 30 20 ICED CC(C)(CCC#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 510993158 VLKZMXFOSCQQSO-UHFFFAOYSA-N 435.506 0.192 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 513617953 BVSJWFIYQXATMY-UHFFFAOYSA-N 443.547 0.690 30 20 ICED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 514761443 RPGLVKYJSYUYKC-INIZCTEOSA-N 428.518 0.981 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 521336221 HINVMKQPLXYYRH-UHFFFAOYSA-N 448.399 0.762 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476466 QVYPQFWXDXNSGQ-UHFFFAOYSA-N 442.497 0.980 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1cnn(CC)c1 523860835 JJCFPOPGKFDLOQ-UHFFFAOYSA-N 447.520 0.856 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O)c1ccccc1 530653641 MNVXSNXCFHARJF-UHFFFAOYSA-N 449.517 0.494 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531598263 JXTDIGKRQPFSJK-UHFFFAOYSA-N 447.520 0.643 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)cc1 534258626 ZJCJQDJOMPPCQZ-UHFFFAOYSA-N 436.534 0.950 30 20 ICED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 548289973 DKFBEUKWRJHDCB-CYBMUJFWSA-N 425.445 0.275 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)C1=O 564145219 YARWKUVJWKSIRT-RBUKOAKNSA-N 426.517 0.582 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 578288414 ZERVPMFUHTWBLM-UHFFFAOYSA-N 440.547 0.253 30 20 ICED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 579077800 CVVLQMIMKDGEIM-IRXDYDNUSA-N 433.534 0.036 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)cc1[N+](=O)[O-] 609541586 QXKLGVFAROCXNL-UHFFFAOYSA-N 432.480 0.543 30 20 ICED Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 610307771 BDYOECPSKMXYKD-CJNGLKHVSA-N 430.490 0.454 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 670223269 GULUNGKVAKMXEX-UHFFFAOYSA-N 436.524 0.707 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 728532714 HZBCNRWWGBRYTP-UHFFFAOYSA-N 438.575 0.430 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 730813550 JVOMAJPVYJJGDB-UHFFFAOYSA-N 448.314 0.653 30 20 ICED CCOc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909569 CKOXPZAQVXXFAG-RHSMWYFYSA-N 433.486 0.404 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cn2)c1=O 733787484 JQKULHOODWMZNY-UHFFFAOYSA-N 439.316 0.139 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 735567500 LPXXIELHZSFJGS-KDCJFMNISA-N 437.522 0.868 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 756307828 JMXMBMABUZLJFT-UHFFFAOYSA-N 439.446 0.011 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 757292715 NHZMZACGQFHCKT-AWEZNQCLSA-N 435.444 0.981 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3cc(S(=O)(=O)CC)ccc3o2)C1=O 767316655 FPBZJDJXZUSEJK-UHFFFAOYSA-N 435.414 0.641 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)oc2C)c1=O 767960324 XQBJJJYEGCMJFU-UHFFFAOYSA-N 433.530 0.812 30 20 ICED CCOC(=O)CON=C(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cc[nH]n1 772206543 PWZHUTPFVSKURP-UHFFFAOYSA-N 425.449 0.745 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 783541999 MEWVSVOYYAVCJT-OAHLLOKOSA-N 431.492 0.465 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)n1 785859779 PAFHTVQZBLMHSW-UHFFFAOYSA-N 440.504 0.039 30 20 ICED C#CCNC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 789905705 ZIHCJSRCUZCIAH-UHFFFAOYSA-N 428.898 0.574 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCCCS1(=O)=O 791789711 SXQWMRCDNTXXPO-INIZCTEOSA-N 447.469 0.877 30 20 ICED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@@H]1CCCO1 804104441 JKXMORVCJHEFNC-QUCCMNQESA-N 427.501 0.642 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c(Br)nnn1C 816144285 SFQCFQHTKCABKH-VIFPVBQESA-N 428.268 0.859 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)N2CCCCC2)c1 918262143 JHNZUKSIWINMOQ-HAVVHWLPSA-N 449.533 0.567 30 20 ICED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 919549988 XPAVXXZPYWWWMK-BLLLJJGKSA-N 431.474 0.517 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1116489064 WNLUBZDTFLAIBN-QRWLVFNGSA-N 449.533 0.992 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1158214467 MSDZHZCNGXRJLK-MRXNPFEDSA-N 447.307 0.764 30 20 ICED Cn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1298828624 UBPRYCKOTMCVCB-MRXNPFEDSA-N 434.526 0.133 30 20 ICED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1318459032 JNXVKWRTMYRWER-KRWDZBQOSA-N 439.559 0.709 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1503361677 XULPDSLHUGYACM-FUHWJXTLSA-N 426.525 0.945 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1508426820 WLESCWXHPRKTFB-DJIMGWMZSA-N 439.586 0.547 30 20 ICED CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1509752515 JOOVTYCVTTVXMZ-CQSZACIVSA-N 436.476 0.445 30 20 ICED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1515287671 ZRSMIDXWZJXHGW-HNNXBMFYSA-N 445.549 0.765 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1692787881 YJIKXTAFWMSKOK-PBHICJAKSA-N 443.549 0.441 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1726449112 NJWQGULHUGBQCG-OPAMFIHVSA-N 439.520 0.462 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC(=O)N1C 1752388538 QPVWBUOABOUUOG-OAHLLOKOSA-N 446.533 0.830 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1778975260 FGVOTEMNBXXXOL-DJJJIMSYSA-N 441.575 0.250 30 20 ICED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543204 GKSKILOZQMUERQ-IIBYNOLFSA-N 445.545 0.709 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781108457 FSHZHMYGKXMIGQ-AVRDEDQJSA-N 434.581 0.169 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1781398416 PUJJOXJVQNLIAN-GSHUGGBRSA-N 445.520 0.831 30 20 ICED Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)no1 1782192850 XAFAIUSLFAJINQ-OAQYLSRUSA-N 435.444 0.812 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)ccc1F 1782959843 LQTDUJNEXCQTHO-WIYYLYMNSA-N 449.504 0.647 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783291266 UHRVMCARRGKMCP-DYESRHJHSA-N 429.477 0.119 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21 1783530283 PJPGRYLIRYHGRY-UYIXNLNJSA-N 427.501 0.558 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784502888 IFCIHQGXRHTJBQ-OTRWWLKZSA-N 429.477 0.619 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784519823 JBEXSPVZDYDBGY-XAJHFOFHSA-N 431.555 0.448 30 20 ICED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1785014810 RVIHSAHXHYEZNX-SMSYFYOWSA-N 440.591 0.688 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)cc1C#N 1785192772 LNRIXTZERKRCPM-PGRDOPGGSA-N 442.472 0.897 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376138 KIDOKYWTRCEAGJ-QFIPXVFZSA-N 428.489 0.635 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1785572263 LBXDNEKZDZOMAQ-ZFIVPINASA-N 435.521 0.504 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1785572510 LYXNXRYJQXPNQF-QVKFZJNVSA-N 446.508 0.175 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1787405415 NMCMGUHHMMTFSH-MUGJNUQGSA-N 441.532 0.917 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1788658022 KXEQWNRNYFYCKO-SKQABBMWSA-N 445.520 0.918 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1OC)C2 1792486568 MSBQTRWIEBDPFY-PXAQZEHQSA-N 448.907 0.805 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C(F)F)n1)C2 1792489675 HDSANCRUGBPWTL-OLDVJPBNSA-N 437.447 0.648 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)C2 1792489995 DFRGNXBCGDTKGY-NDTZPFARSA-N 445.516 0.190 30 20 ICED 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)COC1 1792621899 BFUBHWTYXUAPJE-YVSFHVDLSA-N 435.521 0.529 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccnc1 1793148173 ZTQCBRPTICIKFC-NBMJBFSESA-N 428.489 0.870 30 20 ICED C#CCO[C@H](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 1793340509 XWRJALSYSXSHDD-RZFLPCETSA-N 437.537 0.775 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1793384410 UJUHIOIILNIBAQ-DLTLXFJOSA-N 435.550 0.174 30 20 ICED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108970 WSNYBLDZKVCSEF-NFFDBFGFSA-N 429.477 0.132 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)cc1 1794368219 GPAPLPUIOYKVGW-HGKCTWBKSA-N 435.440 0.758 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796923891 ONLAAXNNSDQRLN-OAFZBRQQSA-N 428.493 0.535 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893658 VOIUQHOSMCDHMR-JCQHHRMRSA-N 446.504 0.843 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799882277 AIWFRAZIZLXPOS-IARIHHJXSA-N 439.476 0.085 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1801992444 KLZOCJJNAYHDOR-HBCWATKFSA-N 439.428 0.042 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSCC(=O)O)[C@@H]1c1cccnc1 1802496771 CZRNZUYGAVMKIC-WUDFEMJASA-N 446.529 0.764 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804086803 BGEGTVRPQYCLPX-JLSDUUJJSA-N 433.534 0.594 30 20 ICED CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccccc2C#N)CC1 1804131150 YVGXDLWGGSJQLB-ACDBMABISA-N 425.533 0.823 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1807509797 VROMWHBAHCBAEP-NBBDWSPISA-N 436.516 0.922 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1811192670 GGOGERJCAWZSBV-VDXKNXLBSA-N 435.484 0.893 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880417 PNAYYBRPEFNONI-JCGIZDLHSA-N 446.460 0.019 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@H]1c1cccnc1 1813267744 NZJVWFLVCIKBTG-UCDZYFIQSA-N 447.492 0.972 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(=O)n4[nH]nnc4n3)n[nH]2)c1 1817816339 FYTYGIWPDVPPFR-CQSZACIVSA-N 447.419 0.355 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3)C2)C1 1829768626 CFDYCPRXYKBMHA-UFTUAFODSA-N 427.501 0.923 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1830953843 YGPWGXOPMHSZQY-YVABFXQFSA-N 443.504 0.440 30 20 ICED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1831306289 ALWWEISJOVYSNL-YYDVJCTNSA-N 442.468 0.343 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1831397587 SWTWNOMDMGJIDK-KKSFZXQISA-N 433.509 0.141 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831904895 LCSWCACZENLFMP-NRFANRHFSA-N 435.452 0.800 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)on1 1832566613 GWKSNINGSQUQJC-OAQYLSRUSA-N 433.509 0.264 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccnc(OC)c3)CCO2)C1 1832590047 CRZFSBGTHSUCJQ-JPYJTQIMSA-N 445.516 0.518 30 20 ICED COC(OC)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1833389487 JZWZWSKANNPTMV-UHFFFAOYSA-N 435.565 0.876 30 20 ICED COCCOCC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834566282 VZUJFOPLWGLYMP-UHFFFAOYSA-N 449.592 0.920 30 20 ICED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834870083 RJSUKVBCPKERKC-NTUGGBQKSA-N 425.482 0.341 30 20 ICED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)co1 1837488502 IEFLWNXQRDUNJW-JOCHJYFZSA-N 431.489 0.752 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cnc3Cl)CCO2)C1 1837851609 ITRKXSBASXIFFN-VBKZILBWSA-N 439.871 0.982 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838417159 GQBUPPOGACXAFZ-XIKOKIGWSA-N 438.531 0.144 30 20 ICED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838734556 AZPBZVMCEDCYAS-HXUWFJFHSA-N 426.433 0.069 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839171678 DBJWZXCEMQDAGA-JOCHJYFZSA-N 437.537 0.294 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)ccn3C)C2)C1 1839175565 QIJWKWWEXINBFO-QFIPXVFZSA-N 433.505 0.913 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839412673 GBIAKANEUQVQGJ-OAQYLSRUSA-N 429.429 0.784 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1839451178 DDWOJATZRYFFOX-QHCPKHFHSA-N 436.468 0.884 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cn[nH]c5)C4)C3)c2c1 1839488174 BWCXNMDGTRCYEH-NRFANRHFSA-N 435.444 0.541 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839634680 VNJACSLEMSGWST-DENIHFKCSA-N 425.489 0.513 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840172731 FWBKNCZLGYFLBS-HXUWFJFHSA-N 437.518 0.272 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCc5nc[nH]c5C4)CCO3)C2)CCC1 1840366278 SYSSVQRZCBATFH-OPAMFIHVSA-N 427.505 0.665 30 20 ICED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840813438 ZRLPHYXZIRZMPL-OAQYLSRUSA-N 429.477 0.639 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)CCc3ccc(C#N)cc3)C2)CC1 1841006153 WFDDNXQWCLSMJR-UHFFFAOYSA-N 437.544 0.858 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 409593133 URWDFMAAOWVIAR-UHFFFAOYSA-N 431.496 0.521 30 20 ICED CN(C)c1nccc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1 410024148 YZTJVPXSUVUYCG-SFHVURJKSA-N 444.517 0.635 30 20 ICED CCn1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 434450397 ONGMNVSARRRBBV-UHFFFAOYSA-N 429.502 0.956 30 20 ICED C[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](C)S(=O)(=O)CC3)n2)CCS1(=O)=O 436370310 MESHBYXXKRYPIC-HUUCEWRRSA-N 426.564 0.980 30 20 ICED CCCc1c(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 443700059 RIXWPUUOLWKIFA-UHFFFAOYSA-N 444.517 0.643 30 20 ICED CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460613638 RNDRLGBUFKNVIQ-QGZVFWFLSA-N 437.504 1.541 30 20 ICED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461387835 SPIUWMPVCKTJFK-HNNXBMFYSA-N 449.479 0.889 30 20 ICED CN(CC(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 467602084 MZMGHNDHWNGRAV-HPGBDJQBSA-N 435.531 0.244 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)c1C#N 472111468 WOEDCVSLOVMSKZ-UHFFFAOYSA-N 427.513 0.217 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O 480949816 IGJBAZVYRUAUCC-UHFFFAOYSA-N 436.493 0.616 30 20 ICED C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 481749930 OLKPXTPCEDREMO-SFHVURJKSA-N 435.502 0.819 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 488985869 RPOUQNRLXZDTOO-ZDUSSCGKSA-N 429.454 0.955 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc3c(COC)cccc3s2)CC1 491109076 SDNIWVNGEHHARZ-UHFFFAOYSA-N 431.518 0.828 30 20 ICED COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 498800235 MIKFQPKWMGIWHA-SECBINFHSA-N 426.223 0.934 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1=O 499100662 MECNGMQBJIHJDR-KRWDZBQOSA-N 430.461 0.162 30 20 ICED N#Cc1ccc(F)c(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 500935423 NIQUFUDWVJEKSE-UHFFFAOYSA-N 446.526 0.158 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3c(C)cnn3C)c2=O)c1 505659615 JVFTWYFYHWVDNV-UHFFFAOYSA-N 437.525 0.977 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@H]2CCCCO2)c1=O 505701304 WJQCUGSEODSUBO-JKSUJKDBSA-N 442.541 0.630 30 20 ICED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 507538857 VBGAHBYTRPUXSH-AWEZNQCLSA-N 432.506 0.379 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 526038168 TZJYWQUGYHXQJU-HNNXBMFYSA-N 443.525 0.849 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CC1 532704050 WEXYZQIBGDIOMO-FQEVSTJZSA-N 447.517 0.132 30 20 ICED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 533220738 VDSOLKKTNGVOEO-SFHVURJKSA-N 429.458 0.999 30 20 ICED COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 551315843 NGGQRNHWDYUJSX-CVEARBPZSA-N 431.493 1.265 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H]1N1CCOCC1 554152044 UZQQIDUVKYSSMY-BLIXFSHQSA-N 443.523 0.961 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 554988126 XUXKAYAVMBVKMA-UHFFFAOYSA-N 432.510 0.793 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 556386111 DOFXVNSBPHFRCQ-UHFFFAOYSA-N 446.467 0.890 30 20 ICED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 558158881 MXXSXEYBXARQLC-UHFFFAOYSA-N 431.522 0.818 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 560942753 ZNRPHDCQXVMVJR-VQIMIIECSA-N 431.518 0.976 30 20 ICED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(C)(C)O 561706618 HZSNVISTSFFASP-VQIMIIECSA-N 441.532 0.079 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2=O)cc1 564606740 VHTYAMSECPFKJW-MRXNPFEDSA-N 448.405 0.851 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 567773197 ICAPFJNQHHZILY-HIFRSBDPSA-N 427.431 0.831 30 20 ICED C=CCC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 569056652 IZFUEDLREAHLKQ-HNNXBMFYSA-N 432.520 0.714 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(C)c(C)c3)n(CC(N)=O)c2=O)n1 571358459 VPISHVAWOCRGAC-UHFFFAOYSA-N 448.504 0.802 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 576556546 XMSIJALEWSGUNA-RPLLJCPNSA-N 445.439 0.001 30 20 ICED COCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 577878776 VUPGASLDMBYTSI-ZDUSSCGKSA-N 444.307 0.921 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1CC(N)=O 580427341 QICUGDNLNXGQOX-UHFFFAOYSA-N 425.510 0.837 30 20 ICED C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 582135871 QNJQNHUAVQVADR-AWEZNQCLSA-N 442.501 0.127 30 20 ICED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587641746 UYANCKMVCIHVQD-UHFFFAOYSA-N 426.521 0.755 30 20 ICED Cc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O 589159288 MLNMURWLZPIWJD-UHFFFAOYSA-N 447.472 0.818 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590986605 BTKAPAQXWGKDJP-UHFFFAOYSA-N 435.889 0.577 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 609486433 KJGJPUVMZJOEEQ-SFHVURJKSA-N 425.541 0.178 30 20 ICED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609836069 IWTSGGPSRIBFHU-GOSISDBHSA-N 430.505 0.775 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccccn2)C1=O 726403451 KLXSNULKNDDJNJ-JJXNMMKVSA-N 447.542 0.865 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732797550 RIGGWQNRWQIASZ-UHFFFAOYSA-N 444.561 0.051 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 735922845 KHGNISVRCSMFPF-UHFFFAOYSA-N 427.910 0.572 30 20 ICED C[C@@H](CC(=O)NCc1cccc(S(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742533331 VCOPWFRATIHVEK-LBPRGKRZSA-N 436.515 0.468 30 20 ICED C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 747820197 NIOZMWYQQMODLM-QFIPXVFZSA-N 425.489 0.336 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1C#N 752408073 MAGIPGYYITUQGN-CQSZACIVSA-N 441.448 0.934 30 20 ICED COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755536618 LIDSOSGTEYBQEQ-DZGCQCFKSA-N 433.465 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2OCC)sc(=Cc2ccnn2C)c1=O 758041324 SPYNDAREMGWRGY-UHFFFAOYSA-N 433.493 0.817 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCC(=O)c1cccs1 767674402 FUGHQVYXLBDAMB-GFCCVEGCSA-N 435.483 0.829 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 767676956 QKOYXBIFJRDLSV-WMLDXEAASA-N 443.481 0.888 30 20 ICED C#CC[C@]1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCN1C(=O)OC(C)(C)C 774358974 WZAIUKPZIKLOBA-HXUWFJFHSA-N 431.497 0.137 30 20 ICED COc1ccc(CC(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 781056799 XJNZNBQPTALSFV-UHFFFAOYSA-N 430.486 0.842 30 20 ICED N#Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 782020722 WKDGRQNRPPBZOM-UHFFFAOYSA-N 441.513 0.883 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 784699811 XJNXKDJFBCJNRB-CQSZACIVSA-N 444.448 0.865 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 794633489 UHFLPCJRJDJBTB-UHFFFAOYSA-N 435.571 0.801 30 20 ICED C=CCN1CC[C@@H](OC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1=O 798593149 AVGRWDDUPCGPTK-ZIAGYGMSSA-N 440.474 0.940 30 20 ICED N#Cc1ccc(NCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1 801131364 CJRHUJURSOTEKK-UHFFFAOYSA-N 433.465 0.955 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)nc3)CC2)CC1 801552549 NWBOIZRGYUSNPD-UHFFFAOYSA-N 427.553 0.134 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 807653337 BKPWSYZBXWWMBU-YLJYHZDGSA-N 437.500 0.802 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)c(C)c2)c1=O 838281244 KUXBDWCMKMAJJT-HNNXBMFYSA-N 445.541 0.527 30 20 ICED C/N=C(/NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)NCc1ccco1 849075835 TUUWIAFPNQVITB-UHFFFAOYSA-N 444.535 0.749 30 20 ICED C=CCn1nnn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S 919935983 OGQFGCMKHNDEOB-UHFFFAOYSA-N 425.496 0.867 30 20 ICED CC[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1130233577 YSVSNKKWEMJINS-INIZCTEOSA-N 436.534 0.918 30 20 ICED N#Cc1cn(CCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(=O)nc1O 1136319504 MEDYXQAHRCOYCJ-UHFFFAOYSA-N 445.863 0.614 30 20 ICED N#Cc1cccc(C2(C(=O)N3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 1319521406 VFTDNNFYIVTLGJ-QGZVFWFLSA-N 437.543 0.251 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1326308043 KEGLUTSVESDXQL-PKOBYXMFSA-N 448.545 0.810 30 20 ICED C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1360570797 PFXYECKKDJGWSC-GPMSIDNRSA-N 439.586 0.691 30 20 ICED C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1448112731 QBXJDVUUZOIMHQ-CYBMUJFWSA-N 431.474 0.580 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCc2nnc3c(=O)[nH]ccn23)cc1Br 1475694551 QKWLKAZVLWLOOL-UHFFFAOYSA-N 427.215 0.669 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1503284749 XTHQTZKXGJDYFC-LJQANCHMSA-N 446.512 0.898 30 20 ICED CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1541007313 LYACSZCIOUAOSO-UHFFFAOYSA-N 439.520 0.729 30 20 ICED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1612654397 UARRRGJMIWBYOI-GDBMZVCRSA-N 428.518 0.918 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1616263965 SMROURMAQZKWOR-UTKZUKDTSA-N 434.541 0.770 30 20 ICED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1)OC 1619606825 CWMVQJZRLKXDCM-UYAOXDASSA-N 442.520 0.911 30 20 ICED COC(=O)[C@@H](Cc1ccccc1Br)NC(=O)CCn1cc(C#N)c(O)nc1=O 1639982175 JNOAPXMDMDIIFH-CQSZACIVSA-N 449.261 0.874 30 20 ICED C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690341222 ISFHALKVICLUIP-UHFFFAOYSA-N 428.888 0.736 30 20 ICED CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1696578472 JJVQRRYOHQELGV-ROUUACIJSA-N 442.568 0.912 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CCOC)CCO1 1696963487 QXAWKORMFXFCAI-IBGZPJMESA-N 441.536 0.736 30 20 ICED COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1711853381 KFVFURGDCPICOD-GDBMZVCRSA-N 449.537 0.801 30 20 ICED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1731191121 ZCLDXXRPHZMTGU-HOTGVXAUSA-N 432.506 0.401 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1741803747 SKFRIIRNNYWRHX-SJORKVTESA-N 437.614 0.945 30 20 ICED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1742283397 IUSARRMRDDYHRH-XLIONFOSSA-N 447.517 0.444 30 20 ICED CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1746311176 UQNBCTCOWJGDGI-CVEARBPZSA-N 426.543 0.920 30 20 ICED CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1766731449 RKYHJQJVOGYTRJ-UHFFFAOYSA-N 434.522 0.895 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1770746161 KWIWTESKZHSABP-NVXWUHKLSA-N 428.518 0.953 30 20 ICED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1)C(F)(F)F 1778853109 YRMJTIWUSVDQJD-VQIMIIECSA-N 432.487 0.866 30 20 ICED O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102985 LKLMFOFXJLVGDV-AGVQAPASSA-N 447.448 0.147 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1779339085 AWEZNKIOJDYKTN-ZPGKAZOCSA-N 440.537 0.689 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020889 RXBKJELGSUKTMR-QVKFZJNVSA-N 444.492 0.575 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3snnc3c2)C1 1780045331 NEXLIZGLRKHXOO-AUUYWEPGSA-N 429.458 0.302 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1781793404 KLIHDXPSSBXVEU-JOCHJYFZSA-N 434.456 0.399 30 20 ICED COc1ncccc1CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011358 WNMKVPYBKNISTC-VGOFRKELSA-N 429.473 0.625 30 20 ICED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1783905951 KOUGEBNYXHNXMZ-QHCPKHFHSA-N 448.483 0.818 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1784482830 GZBQBGFXJYETHL-HYTALWEGSA-N 438.528 0.771 30 20 ICED Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n1 1785339182 XYGCSAAPVBRPDB-MVUPPBQTSA-N 430.553 0.951 30 20 ICED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n1 1788601670 RNPYJWCZSDZROS-XZWONZSASA-N 446.552 0.595 30 20 ICED Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)n1 1788658316 ONTWAXCSNCHZGU-GETUGTSYSA-N 435.481 0.429 30 20 ICED O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)CN1 1790857643 IJPSZXJDFZWGAR-IBCWIVPQSA-N 431.514 0.603 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794439764 GKJONDIUDMQVGH-DCXXXQMHSA-N 444.532 0.713 30 20 ICED 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]n1 1796028108 WEDLGUPYMULLHE-LXTVHRRPSA-N 434.497 0.477 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1cnnn1 1796448305 MHJFMHFLXHHUPF-QOEYFNNLSA-N 430.490 0.324 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(NC(C)=O)c1 1796744578 QCSINGIUEXDCOL-ZMMAXQRCSA-N 430.505 0.816 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1797710880 YIRSNIOTKIXPRS-IVSAIRAKSA-N 425.526 0.674 30 20 ICED 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[C@H]3CCC(=O)N3C1)C2 1797713975 FECJQRHBMUAOET-NQKDJWEYSA-N 433.549 0.550 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798412755 XKGXKECMDJEPJC-FVCICTRLSA-N 434.543 0.878 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800203845 XZXJBLQKIYJMIW-AMVTXUCVSA-N 436.472 0.303 30 20 ICED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298300 ISKJLERYQCOADS-AINOVGTFSA-N 426.517 0.515 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1801987184 PHIGHLCRKJABEH-MUJYYYPQSA-N 437.452 0.789 30 20 ICED CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)o1 1801990043 YUKAUEVKSSFGEW-CWPLJXCYSA-N 439.472 0.894 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)CCOCCOCCOCCOC)[C@@H]1c1cccnc1 1808821005 VPJMBSICISNSLL-OFNKIYASSA-N 447.532 0.807 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810292600 ZXOXAVQHOVJAMT-XLJNPDEBSA-N 425.493 0.435 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc3c(c2)CCNCC3)[C@@H]1c1cccnc1 1812380653 LTKSEOZXLUWYMB-MBSDFSHPSA-N 447.495 0.572 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1814012782 UTKKSJHHHWEEOX-UKRRQHHQSA-N 437.481 0.705 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814230586 MIBZZJHJZZQALO-LAUBAEHRSA-N 436.472 0.706 30 20 ICED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814761514 DTWGXAFSYWWBKK-GFCCVEGCSA-N 446.466 0.763 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1814971296 HTTPATVUANJCKA-CHWSQXEVSA-N 432.550 0.863 30 20 ICED CN[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1)C(=O)O 1817315258 KADBCAPHMWTAFJ-LSDHHAIUSA-N 433.513 0.746 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CC(c4ccccc4)=NN3)sc2C1 1824437797 BYDXUWNOZACGEK-CJNGLKHVSA-N 437.481 0.909 30 20 ICED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1826037214 AIOPJQWRBQIZAN-JTQLQIEISA-N 426.462 0.298 30 20 ICED N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1828033620 IDFLHEXOOOISLO-LBPRGKRZSA-N 428.474 0.674 30 20 ICED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829632148 RFDGAWQHBTUPCR-JOCHJYFZSA-N 438.488 0.688 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1829781697 DQYBGEADNHHZRZ-HRAATJIYSA-N 441.525 0.500 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831333232 WFVGMSGGVCGBJU-FQEVSTJZSA-N 428.551 0.646 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1831397448 YJYQZQGEKPJYIB-VGOFRKELSA-N 430.505 0.256 30 20 ICED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831815740 MUPXFGMPRZYISZ-NRFANRHFSA-N 426.477 0.621 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832355459 OOWZRAHGRIAELH-JTSKRJEESA-N 432.521 0.538 30 20 ICED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)C1 1833048664 OUQQZRANXRMMNY-UHFFFAOYSA-N 428.470 0.249 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccc1F 1833460217 BYCNNXWXLITOKI-JOCHJYFZSA-N 447.511 0.881 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006372 LSFFUGIDHCBSPS-NGPKUFNOSA-N 432.477 0.681 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C)n1)CCO2 1834050927 QSSOLIPINHTBSC-JOCHJYFZSA-N 431.489 0.969 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C)cc3)CCO2)C1 1835158381 XQJOCCDRURXPGJ-XXBNENTESA-N 430.501 0.869 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835704566 VSVRJPZNZPFBBJ-SJORKVTESA-N 437.585 0.857 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cnc(O)nc4O)CC3)CC2)c1 1836169965 KPXHGORRBVQXIN-UHFFFAOYSA-N 439.476 0.587 30 20 ICED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(OC)c1 1836239697 PGTGHMDCGABZIS-UHFFFAOYSA-N 443.500 0.977 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1837395222 TWWRRUPSKDEEDZ-WMZHIEFXSA-N 446.548 0.791 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837399525 VSRXHYSSJBVEDH-VGOFRKELSA-N 443.504 0.372 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1837478059 WOUUFVJRZUIKPE-RIFZZMRRSA-N 437.566 0.688 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837526982 HONFNXJZGPXWIP-BRBKAFBWSA-N 437.415 0.924 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837564418 MSBBBUZAQPYWNO-JBMWNJKUSA-N 444.488 0.943 30 20 ICED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732217 HCKOZFMSTMOECP-QFIPXVFZSA-N 438.488 0.731 30 20 ICED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1839226401 NPPUBTGWETWCIM-MGPUTAFESA-N 437.497 0.300 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424918 IBPNIBBRPDICKM-LHSJRXKWSA-N 448.907 0.806 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(Cc4ccccn4)CC3)C2)C1 1839807210 PJCGJKWYRRRNIX-QHCPKHFHSA-N 426.517 0.383 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(cnn4C)c3OCC)C2)C1 1839807881 OQBFFZJORFYIPH-NRFANRHFSA-N 427.461 0.070 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810656 KPKGLAFGEDWKJU-AOMKIAJQSA-N 433.505 0.333 30 20 ICED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839880297 LUINMNMMWGXXQB-LHSJRXKWSA-N 432.452 0.292 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840159062 WMPSURLFEPXORA-SCLBCKFNSA-N 427.548 0.253 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847328134 NEINTKIUDRYAGB-NCOADZHNSA-N 432.521 0.631 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213240 DJTDLUMZCZHSMB-ISWURRPUSA-N 430.505 0.768 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1=O 25521517 QNMBGPKSDRDXII-UHFFFAOYSA-N 431.405 0.489 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)C1=O 410177797 ICQVPIJDBOJOBE-INIZCTEOSA-N 442.520 1.202 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)n1 437031354 MYLBTTMPCKJBLA-UHFFFAOYSA-N 436.469 0.850 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(C(N)=O)cc1 440383729 PWNKOZDBTQHSGB-UHFFFAOYSA-N 447.476 0.492 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440393821 SGGLIXMEGDIMJI-UHFFFAOYSA-N 433.449 0.549 30 20 ICED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)cc1 442243154 UYCVEFDNNUTKCV-INIZCTEOSA-N 432.436 0.992 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)Nc3ccc(OC)c(OC)c3)no2)C1=O 445373551 IBBNTKLBWBGOLD-UHFFFAOYSA-N 429.389 0.745 30 20 ICED CC(=O)N1CCCc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 446522787 LYXBBRVZWYJJLS-UHFFFAOYSA-N 427.505 0.999 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 467591616 AQLWWNYATJHNJX-UHFFFAOYSA-N 440.508 0.171 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471015883 AVPYCFDZABCFKG-OAQYLSRUSA-N 430.461 0.638 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccon1 480937856 PJWBEUKRRFGSRQ-UHFFFAOYSA-N 428.470 0.503 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccon1 480952606 NSHLNTFQSPQTQE-UHFFFAOYSA-N 428.470 0.585 30 20 ICED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481153043 GFJXEWZTLKYQHJ-BFYDXBDKSA-N 436.534 0.615 30 20 ICED CN(CC(=O)NCCS(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 482407778 UISATAYDZMTJJS-UHFFFAOYSA-N 439.490 0.908 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 482845933 RWFREROHSKTLMW-CYBMUJFWSA-N 440.547 0.298 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 500879672 DXZZYOAEGITASV-UHFFFAOYSA-N 433.577 0.259 30 20 ICED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccc3occc3c2)c1=O 505661941 NQFAIZVNIGEXMH-UHFFFAOYSA-N 438.509 0.144 30 20 ICED N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CCN1Cc1ccccc1 510119437 OWSTULHOHFGXCO-KRWDZBQOSA-N 449.496 0.948 30 20 ICED CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 527089429 VYPKYXGRCIRPRC-UHFFFAOYSA-N 440.508 0.783 30 20 ICED C=CCn1c(C)cc(C(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C 533056095 MQXPEPWQEQFZQC-SFHVURJKSA-N 436.578 0.395 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCCO2)c1=O 535331690 GQBNKJQLXFFTPP-MRXNPFEDSA-N 427.530 0.338 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc1 550268390 XUZJOPNHHXIDRQ-UHFFFAOYSA-N 435.412 0.703 30 20 ICED CC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 554157022 AAGNSCPLTMIJSV-WMZOPIPTSA-N 445.495 0.536 30 20 ICED Cc1nsc(N2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)CC2)c1C#N 558598864 IFFFXYRONOIANR-UHFFFAOYSA-N 447.590 0.981 30 20 ICED Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)n(C)n1 565272102 LSPPIQMGGHRNOL-SFHVURJKSA-N 436.520 0.429 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)c(F)c1 581748578 GPGSNIJVYFNKFR-RTWAWAEBSA-N 443.523 0.840 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ncnn3-c3ccccc3)CC2)nc1 587652997 ATOJUODQRLDZAN-UHFFFAOYSA-N 430.472 0.935 30 20 ICED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 589799843 CZTZEKAEGJNDRM-UHFFFAOYSA-N 430.505 0.583 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Cl)s2)c1=O 604270011 BPQJLEOUIZCZJU-UHFFFAOYSA-N 436.946 0.495 30 20 ICED N#Cc1c(CCCNC(=O)NCCCN2CCCS2(=O)=O)nn(-c2ccccc2)c1N 608793842 MDEMICBLKXJANS-UHFFFAOYSA-N 445.549 0.984 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 608912598 XANVNUJLOMYTQG-UHFFFAOYSA-N 434.477 0.460 30 20 ICED CS(=O)(=O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 610763055 UTCOCKVDABPBBU-UHFFFAOYSA-N 447.517 0.964 30 20 ICED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 611174848 RKUQGJGTYYEKAH-UHFFFAOYSA-N 445.589 0.539 30 20 ICED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618895091 RWCKOQRATIBVJJ-STQMWFEESA-N 432.481 0.712 30 20 ICED COC(=O)c1ccc(O)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 726736804 USMBEKCOARSLNI-UHFFFAOYSA-N 433.490 0.956 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)cc1 726788544 PMYOPYNFGQCPFT-UHFFFAOYSA-N 425.488 0.769 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)nc1 727164906 VHIPDVHWAAVKAH-UHFFFAOYSA-N 441.900 0.608 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1 735591447 WZRSUXIKOZCZOM-XBYUIDQRSA-N 435.550 0.894 30 20 ICED CN1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCC1=O 739115061 ACTQQXGASCGPRT-TYIKUYDASA-N 435.506 0.175 30 20 ICED C[C@H](CC(=O)Nc1cccc(CS(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742593627 RBTNENJNNHSVCH-GFCCVEGCSA-N 436.515 0.931 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744726133 OZVWIZNMKPLCDK-STQMWFEESA-N 426.447 0.291 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 756846150 ZSPPMFIYPPAXCE-DZGCQCFKSA-N 435.485 0.526 30 20 ICED CC1(C)C(=O)N(C[C@](C)(O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 760323643 SDOPUYJCQQDUOO-ZDZITJCTSA-N 426.473 0.704 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 761036776 JJPMHFNTCIGBHY-GOSISDBHSA-N 448.545 0.207 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 766560342 QFBDGZKIQAJOSB-WZTHKDHVSA-N 444.517 0.835 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1 767670115 GQZZNFXVIWOFAY-ZDUSSCGKSA-N 437.499 0.658 30 20 ICED C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769843833 PFAYMEQYJKWKDR-XJKSGUPXSA-N 436.490 0.784 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1cc[nH]n1 772379233 UYRJWSVXJILPGX-UHFFFAOYSA-N 429.433 0.384 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776838307 YVJGMSZZTFCHAT-HZPDHXFCSA-N 437.541 0.930 30 20 ICED COCCC[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 778193773 DNWPEWHDGAXVPB-INIZCTEOSA-N 437.518 0.997 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)c1 778865040 UOWCLGUOULQVJF-KQWNVCNZSA-N 447.473 0.446 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCN2CCNC(=O)C2)C1=O 781104512 WOTMYDVHGWBQLA-QGZVFWFLSA-N 447.561 0.973 30 20 ICED CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C1 783623145 QDUOXJBLZBXPBZ-VLGSPTGOSA-N 430.465 0.959 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 784689760 OBZWZBGOOGWKAL-AWEZNQCLSA-N 434.474 0.687 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCSC[C@H]2CO)c1 784913048 YRTFGDNSHSZBJP-HUSAPJIJSA-N 440.547 0.374 30 20 ICED C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)n1 788694799 VXPSBPGOQDNPKB-UHFFFAOYSA-N 434.518 0.998 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 794641970 ZTAQGIZBMPSQJW-LBPRGKRZSA-N 428.495 0.901 30 20 ICED CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 804756032 XQRMNIZSVWYJPI-UHFFFAOYSA-N 428.493 0.585 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 813670212 ZMIUQHLEGGFXRR-UHFFFAOYSA-N 441.937 0.963 30 20 ICED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 916533167 IDMWOPXWPPWGQM-IBGZPJMESA-N 436.490 0.018 30 20 ICED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 916874955 IPHDCMMUEPHHMJ-IIDMSEBBSA-N 437.518 0.960 30 20 ICED C[C@@H](OC(=O)COc1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 919415694 FCWLKIYIROKUIJ-CQSZACIVSA-N 431.470 0.875 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1 1318809855 PEYLBFVTNUYPSR-UHFFFAOYSA-N 435.483 0.427 30 20 ICED C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1360531839 WUNUYBHHDJQEFE-CVEARBPZSA-N 426.481 0.375 30 20 ICED CCOC(=O)c1c(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CC 1466881254 UEOMNVFGSWMSSN-UHFFFAOYSA-N 440.526 0.255 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1502310384 YMYBPYCRXNEWBL-GVDBMIGSSA-N 440.618 0.510 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1504884670 QNOHZLYBBVMVRG-UHFFFAOYSA-N 427.509 0.936 30 20 ICED Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1543107282 JWDQFVABMGFPCF-BMIGLBTASA-N 428.519 0.733 30 20 ICED CNS(=O)(=O)c1ccc(N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)cc1 1560109684 NBYMXHSXRAVQBT-UHFFFAOYSA-N 427.530 0.905 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1570246802 KMXLAZGABCEHDR-PBHICJAKSA-N 437.518 0.757 30 20 ICED CN1CCN(c2ccnc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1631882871 UDLGDRBJKAEWEL-UHFFFAOYSA-N 428.518 0.901 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC 1636787087 VHZNNGDKTZVDFE-OAHLLOKOSA-N 446.485 0.929 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1640840024 QXQLHHCOUXPDRT-KDOFPFPSSA-N 425.532 0.652 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1706622665 VAHREIKPFYGPKU-GOSISDBHSA-N 444.584 0.704 30 20 ICED CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710877637 DBFXYVVSGSELGG-SFHVURJKSA-N 429.550 0.875 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1723661767 UQAGMOSTGSPJJQ-UHFFFAOYSA-N 431.522 0.471 30 20 ICED CO[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748390438 XOUMXBPMSPZDOY-XJKSGUPXSA-N 427.513 0.504 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1771082247 ZDQQNMUHZFIQQP-HXUWFJFHSA-N 441.536 0.736 30 20 ICED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1777984989 TXZRCLZMJUZCNU-QEWGINQYSA-N 433.509 0.659 30 20 ICED Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)no1 1779358810 FOLFZDBQEQQYED-JPFMVSBKSA-N 432.525 0.906 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1781103133 DEMFZYHFAKQMRG-NJNPRVFISA-N 445.495 0.418 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)ccc1F 1781302550 RKWJWEWRWDLGPP-FQEVSTJZSA-N 444.492 0.980 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1cncn1 1782529399 DSHYHYHLDHPRJJ-CSODHUTKSA-N 431.541 0.635 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CC[C@@H]3O)[C@H]2C1 1783486542 UMZKTPOIHXVGGJ-AQBJMCTPSA-N 449.548 0.607 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)cn1)CCO2 1783557895 RWVMVRDEWNUNOF-GOSISDBHSA-N 436.262 0.305 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1783561678 FSAQBXYOHZAMPD-OAHLLOKOSA-N 428.264 0.437 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CCN3CCCC3)nc1)CCO2 1783561927 QJOUBTXJSVVHAV-QHCPKHFHSA-N 440.500 0.251 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1783683736 BMBYQENCXYGZPO-ZQIUZPCESA-N 428.493 0.160 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1783887083 SLIDUMIVHUKUSM-SCLBCKFNSA-N 427.548 0.388 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)ccc1F 1784532292 BJFZZHCRIBAFJV-OAQYLSRUSA-N 426.452 0.752 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519224 FKGIJFGXGUOYPH-OTRWWLKZSA-N 431.493 0.575 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)ccc1F 1786675868 JGSXEGPJKXGHMP-WQCNXYOZSA-N 428.464 0.498 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787405784 AGGOGVNGEWNGEX-VMXHOPILSA-N 446.548 0.411 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787408258 WDWNCLASKVTHSI-FJIDUMEYSA-N 434.537 0.112 30 20 ICED COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn1 1787605516 ZRKYEGFFLJCAHK-BXWFABGCSA-N 437.456 0.975 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788606438 QEQSQQDXRNGMRQ-HTFNNOMWSA-N 435.569 0.743 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccnc2c1OCO2 1789182315 WTAUAFPHCQCCPV-QEPNCWKMSA-N 443.504 0.875 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1791267246 GUGLEFBSVUQHSU-MRHSLFKSSA-N 442.516 0.776 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1793344409 NQHSUGXBFSQIMS-VGZCRSJVSA-N 427.457 0.349 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C2 1793349538 BCOKXUJVMUFPEN-PHXBYCTMSA-N 449.548 0.871 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1793361682 ONCARVNKPARKMJ-RDPOXOKHSA-N 429.517 0.906 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1793595012 JJRVUWHUCLQXNY-KYHPRHEASA-N 448.524 0.337 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCSC(=N)N)c1 1795587736 DIGPLYIMRHCGHN-JLVBRIDZSA-N 431.518 0.787 30 20 ICED Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)s1 1795598223 IQZGKMJLFSLERC-JLVBRIDZSA-N 434.566 0.651 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)N1C[C@H]2C[C@@H]2C1 1797636371 ROPNFWSWEUESRA-HTTMHYQTSA-N 448.527 0.978 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498395 SGAQNYSIZDPCBA-FVCICTRLSA-N 433.415 0.504 30 20 ICED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)c(=O)nc1O 1798863632 PDACKFHQHJYTMI-IZZQQSIFSA-N 437.456 0.032 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c(Cl)c1 1799749562 XJFIGZZTIXNQST-CWPLJXCYSA-N 432.908 0.747 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 1800999454 RVWSCXYAFVTICF-DDFAGTSDSA-N 430.246 0.794 30 20 ICED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)n(-c2cccc(=O)n2C)n1 1801988578 DSEVKPHBQPDJGB-MUJYYYPQSA-N 437.456 0.219 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccc(=O)n2C)[C@H]1c1cccnc1 1802475935 CTLOYIQJXJZYJW-ADTVPTKKSA-N 449.511 0.958 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1803550622 PPQMNIQJNMIANL-MXNKGDRCSA-N 441.576 0.762 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810284141 KEBOIIJMLHJMTK-LGCLUGCYSA-N 425.497 0.246 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3c(c2)CCNCC3)[C@@H]1c1cccnc1 1812380652 LTKSEOZXLUWYMB-JPYJTQIMSA-N 447.495 0.572 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879008 ODBLZXPBZSYROP-URLQWDBASA-N 427.486 0.202 30 20 ICED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813047351 NBMAQQYXERHINZ-DNVCBOLYSA-N 434.460 0.331 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CSCC(=O)O)[C@@H]1c1cccnc1 1813083577 DTFYXXFWHCOGED-ZEUIOTOJSA-N 446.529 0.764 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC3)c1 1821595140 DIGBGMLWHPAJSE-JTQLQIEISA-N 427.446 0.120 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NCCC)CCO2 1831195547 GQULXEHAWFXECX-QFIPXVFZSA-N 439.553 0.732 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1831395882 AQOBVRFMXGLVEZ-HTAPYJJXSA-N 431.489 0.507 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831427697 YIAYMTPNSCXGJU-VGSWGCGISA-N 428.489 0.995 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1833232257 NYWHZUDZMQWTGL-NRFANRHFSA-N 447.612 0.936 30 20 ICED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835247461 QWYJEJABBJMJMG-JOCHJYFZSA-N 447.488 0.056 30 20 ICED Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cn1 1835673228 ZBIDIYQXFANKOI-NRFANRHFSA-N 430.509 0.137 30 20 ICED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1836305363 CCFSKXCTVNVGHH-OAQYLSRUSA-N 440.460 0.134 30 20 ICED Cc1c(C(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1837635398 MCBLZGAYYGIFQM-UHFFFAOYSA-N 426.477 0.857 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837797203 XVIMUZOORQZCQJ-HBRDKIMXSA-N 446.420 0.100 30 20 ICED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1838176247 BUUJHAPZHQFCJP-JOCHJYFZSA-N 439.472 0.982 30 20 ICED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1Cl 1838309008 YSSVOGXYDYFQIU-IBGZPJMESA-N 432.868 0.657 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)c1 1838732449 SBJZPCYTWOZBGM-QFIPXVFZSA-N 443.504 0.359 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1839165563 OHXKVTCKJNPCIV-PNLZDCPESA-N 428.489 0.518 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839176629 ZJCJCSAHIWKFHW-NRFANRHFSA-N 433.461 0.367 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)cn1 1839186678 IUCZXJZBLYESOC-QFIPXVFZSA-N 441.463 0.744 30 20 ICED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839187874 CLBWFZHGFZLUCC-QFIPXVFZSA-N 446.479 0.222 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1839226542 AFECDRAYMPAAQW-HRAATJIYSA-N 435.525 0.853 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)c3)CCO2)C1 1839345287 YOFOXOSRVRVUGL-HTAPYJJXSA-N 449.573 0.912 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)cc1 1839362354 MVIJNVVNSSUCKE-NRFANRHFSA-N 445.545 0.839 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)C1 1840039736 GHCKPSSTEOUQMN-WMZHIEFXSA-N 442.468 0.235 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1)C(=O)O 1840839459 WTZSKWNIRFIAPV-NYBOLYEOSA-N 427.457 0.968 30 20 ICED O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314129 ZMDLBHFIILIUNM-IFRROFPPSA-N 431.474 0.367 30 20 ICED COC(=O)c1cc(NC(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)cc(C(=O)OC)c1 25963406 SKONOMAEOYAYBA-UHFFFAOYSA-N 427.369 0.718 30 20 ICED COCCOc1ccccc1N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409493596 KFFNADPZBYEROP-UHFFFAOYSA-N 426.539 0.941 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 409543386 LVSQYTYMZZYHLK-NSHDSACASA-N 440.469 0.746 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 429918070 CGAFEGQXFCPAER-UHFFFAOYSA-N 428.514 0.974 30 20 ICED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 430137854 ZPPKXASQBYGEFL-UHFFFAOYSA-N 428.518 0.829 30 20 ICED COc1ccccc1CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 437708478 MJQNKXKLLNBFET-HNNXBMFYSA-N 444.513 0.709 30 20 ICED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC 444379236 DPJNIGLDZAZYMX-LJQANCHMSA-N 437.562 0.753 30 20 ICED N#C[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCC[C@@]12CCCCO2 468119288 HFKMOMMGNGLUNI-RXVVDRJESA-N 446.529 0.875 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CCO)c2ccco2)CC1 469517996 XXJVZEJWKILIAI-KRWDZBQOSA-N 432.502 0.697 30 20 ICED CCOC(=O)[C@@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 469690858 OKISWMVXETUCDJ-MRXNPFEDSA-N 448.545 0.807 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 472401979 AGWPIJBISCBXIG-ROUUACIJSA-N 428.489 0.759 30 20 ICED COC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(O)c1 474579455 RAQVWCKUQVHHCC-LJQANCHMSA-N 447.469 0.923 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCSC 479366054 OYBPAMRSRPHMMB-UHFFFAOYSA-N 448.570 0.332 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480108782 LLVGIOOUPBCWJZ-JKSUJKDBSA-N 435.550 0.284 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503118827 QHUPRNLHOXDKSE-KURKYZTESA-N 433.534 0.819 30 20 ICED Cn1c(=O)c2cc(NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 506256851 YWGYRHPKOYAOES-QGZVFWFLSA-N 447.455 0.821 30 20 ICED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506880687 KTXTYCDDDHTYOT-UHFFFAOYSA-N 431.518 0.952 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1OC 507085738 KYRUCUZDUIEPDO-UHFFFAOYSA-N 443.525 0.988 30 20 ICED CN(CCNC(=O)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1)Cc1ccccc1 510631861 SCHRFYZLJIPCPS-UHFFFAOYSA-N 438.536 0.820 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc3ccsc3)c2=O)cn1 523182467 NIKDDUOMAPSWKN-ZDUSSCGKSA-N 443.554 0.831 30 20 ICED Cc1c(C#N)c(NC(=O)CCN2CCN(S(N)(=O)=O)CC2)n(Cc2ccco2)c1C 532965557 ANFVHJUNXLPQFM-UHFFFAOYSA-N 434.522 0.768 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 536117719 ZLDPGEMNSBOVLW-UHFFFAOYSA-N 444.469 0.278 30 20 ICED Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n(C)c2n(C)c1=O 542815641 NRNVQRQAOSUBPY-MRXNPFEDSA-N 434.456 0.373 30 20 ICED N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 560604064 MKDAKMDRNOYQOL-RTWAWAEBSA-N 425.533 0.576 30 20 ICED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O)OCO2 563573268 GMIZJJVMMUMKTO-UHFFFAOYSA-N 443.481 0.251 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 564752918 RUVHYEPZIMPVCY-SFHVURJKSA-N 433.472 0.309 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)s1 604270381 XLDRYDALJZFDQN-UHFFFAOYSA-N 444.582 0.930 30 20 ICED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 609438031 YICBVQWELHMZQF-CQSZACIVSA-N 439.563 0.970 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)CC1 733150168 CVMQNTGEOKAKSR-HXUWFJFHSA-N 439.516 0.468 30 20 ICED CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 735567218 FRRJLRHFBQNWKF-USCXLKSCSA-N 437.522 0.868 30 20 ICED Cn1cc(/C=C2/CC(C)(C)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 736433665 INOWEJIYJGVBJY-MFUUIURDSA-N 426.473 0.338 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)CC1 737166816 GMKBAZONDODWFI-UHFFFAOYSA-N 440.500 0.394 30 20 ICED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 749373274 HOEOBVUWEXJZGX-CALCHBBNSA-N 433.578 0.742 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758056474 VRAJDRFWCMJJQU-UHFFFAOYSA-N 436.493 0.079 30 20 ICED COCCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758765996 DEJRRQAAVDZELH-RBSFLKMASA-N 430.527 0.591 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCc1cccs1 767892766 WJQZOSWJVZRGFT-UHFFFAOYSA-N 446.579 0.936 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 768996964 XBJYOUJTBJGHAY-ZDUSSCGKSA-N 446.938 0.878 30 20 ICED CCOC(=O)C1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 769211081 DWURIKIDPSGUKX-UHFFFAOYSA-N 437.474 0.181 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)c1cc[nH]n1 770834827 PLLWAKVGVMGMCA-UHFFFAOYSA-N 442.476 0.137 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 771388275 GOZJVLNTNRQGMB-QFIPXVFZSA-N 426.473 0.450 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1cc(F)ccc1N1CCOCC1)c1cc[nH]n1 772297616 CGGTVBGBAVQGIV-UHFFFAOYSA-N 433.440 0.986 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)cc1 774449826 YDYZPXLQASFBIN-DJFNHCPNSA-N 438.506 0.706 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 783350305 IXFOUWTZHCERFO-UHFFFAOYSA-N 449.526 0.558 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC=CCC2)cc1 797371893 OCMJXLNFAXBFQY-NKFKGCMQSA-N 433.534 0.816 30 20 ICED C#CCNc1nc(NCCc2nnc3n2CCC3)nc(NCCc2nnc3n2CCC3)n1 804339636 BLKAIYMTATVWTD-UHFFFAOYSA-N 434.512 0.301 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1F 807326403 HPDZSRDECIKLFG-KRWDZBQOSA-N 447.854 0.964 30 20 ICED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c1 807950488 TWWNVSCRFMUITL-CQSZACIVSA-N 432.458 0.122 30 20 ICED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 808040566 IJSMEKKOCDFXPC-WMZOPIPTSA-N 442.520 0.975 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 918803778 DOKRMGOHDCPOAO-NRXGSXMXSA-N 439.534 0.883 30 20 ICED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)CC1 920188527 RTSZASVUUILORW-UHFFFAOYSA-N 435.488 0.508 30 20 ICED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116493997 QUPPTINIRFKMKM-BBWFWOEESA-N 428.445 0.942 30 20 ICED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1300831071 QUNHZCJSOCQQNQ-DGCLKSJQSA-N 449.375 0.902 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1320260400 VAGASRBUIRJVDA-DOTOQJQBSA-N 437.518 0.870 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1360485419 IXAZKKNJQWWENC-ZBFHGGJFSA-N 445.549 0.798 30 20 ICED CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500878005 ZWKBUYLUMPUJSU-AWEZNQCLSA-N 435.558 0.539 30 20 ICED N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712886439 SLIWWYFAOBCMSU-KRWDZBQOSA-N 436.476 0.781 30 20 ICED CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1750532564 QFMJNEXHHXNCGS-UHFFFAOYSA-N 448.549 0.971 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)n1 1751853994 VXICWVYZCFACQJ-GOSISDBHSA-N 428.541 0.979 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4nc[nH]n4)C3)c2c1 1777775049 VOKJOBLCZBMLGL-IIBYNOLFSA-N 434.460 0.994 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)Cc3cccnc3)C2)c1 1778055499 JMAUGRYISIPNTO-JXHRLWIKSA-N 436.516 0.979 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1778973562 LRJUSAIFGIGMSA-YCRPNKLZSA-N 425.526 0.914 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102161 CQYQRMKSCDWSEX-CISISPDESA-N 439.513 0.053 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 1780303894 ZKZWAQSYIDJVHQ-BBIZLLLXSA-N 437.447 0.889 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc4n(n2)CCCNC4=O)CCO3)cc1 1780696971 QUZRAJVOYKPXCC-QHCPKHFHSA-N 448.483 0.646 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697613 OSLBJENMCBEIRX-KNQAVFIVSA-N 443.456 0.497 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)c1 1781959980 BBIONCWOPRKGSC-NRFANRHFSA-N 426.404 0.854 30 20 ICED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558266 WCZUUSKQDVTDHS-JOCHJYFZSA-N 447.488 0.472 30 20 ICED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784198189 YVSGIKCYSLIILQ-QXKUPLGCSA-N 445.582 0.560 30 20 ICED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787509885 NBJPQRUQBJLSCE-LWXWQKJCSA-N 448.545 0.738 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422908 CNMVBFNZGKPZKN-KBMWQNTOSA-N 447.557 0.761 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1793342487 HLAHXLSRDRYMQG-GUIRCDHDSA-N 429.502 0.515 30 20 ICED 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)C1CC1)C2 1793342749 OPWIYRFOYNLQKZ-UJCHZGTJSA-N 449.548 0.918 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1793345033 HKJXNPLSKPNNTM-CMBDLQSPSA-N 431.464 0.782 30 20 ICED C=CCO[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 1793354611 FCAODPKXNAGUAG-KCTHJMFYSA-N 446.504 0.173 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851652 MTZVCUNQSKBCEP-PBVTYWRASA-N 432.477 0.469 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1795597982 NVSDAEPNJUVIKC-XOIINTDNSA-N 434.472 0.267 30 20 ICED COc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598479 YLYLTAHJDWWRBG-OPVJXMOQSA-N 443.548 0.894 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1795602677 WQQFXNJOXXKHKY-IZZQQSIFSA-N 432.496 0.803 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797729372 ZLLKJVKIHVLUCB-CLWJZODNSA-N 436.629 0.220 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798592384 MKDRTXRKXMOQFZ-ZSBFGKGUSA-N 449.964 0.899 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1801009273 XZVQAWLNGHQWDW-KFVVBQDRSA-N 445.472 0.142 30 20 ICED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802106605 DYQLVEAXAQCQJV-GNXNZQSNSA-N 433.502 0.648 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1802124768 HHUXCTCDVOQEIJ-JYYAWHABSA-N 432.477 0.794 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)c1 1811190772 MDMLXTHLTJGAHR-DNVCBOLYSA-N 444.455 0.804 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2c2cccnc2)c1 1811532558 HQNFOAIDHJBUNB-DNVCBOLYSA-N 435.444 0.153 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCCC2=O)n[nH]1 1817156247 UPYSEAJDFXXETK-QWGSZXSUSA-N 428.493 0.883 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OCC)CCO2)C1 1829536952 ZVHUAYWYKRVVIU-JTSKRJEESA-N 431.489 0.589 30 20 ICED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)cn2[nH]cnc(=O)c12 1829600425 YOVVKDQAMLIJPQ-KRWDZBQOSA-N 439.472 0.652 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1830460562 QXWVSYLMXTZWDE-MZKRTTBSSA-N 427.501 0.718 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830757336 WERWWDLJZDBOBA-RORQMLAVSA-N 432.521 0.639 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1831221512 PHCHOULOGJADBO-QFIPXVFZSA-N 432.517 0.790 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831451038 CVDOHFKNNKNRFE-YLJYHZDGSA-N 446.566 0.106 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783905 QFPQFDIOQYQLCL-KKSFZXQISA-N 434.493 0.230 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1833468066 LGUJFVAFRIHVOU-HNNXBMFYSA-N 443.504 0.398 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cncnc3)CC2)CC1 1834235042 QZRODIYHCCDPMV-UHFFFAOYSA-N 427.553 0.944 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834619287 DGAIVOPIYVYIRI-UHFFFAOYSA-N 448.612 0.172 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC(C)(C)O)CCO3)C2)c1 1835268708 PYVJNRPVYMIQGC-QFIPXVFZSA-N 431.489 0.798 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686837 AXZNNDRKNHROKY-ZJSXRUAMSA-N 443.544 0.920 30 20 ICED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440540 MQZVMFSCYIGBHF-GQBVICOWSA-N 435.569 0.256 30 20 ICED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n1 1837441256 YKJMEBXLRFFDAV-IGPUNGKJSA-N 446.552 0.428 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838477883 OYKYNMGREPTGTQ-ZHRRBRCNSA-N 447.488 0.453 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1839173535 WUUHZOSPBGIHOW-UQASEVPWSA-N 426.510 0.359 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 1839174227 NQRAZQQSYMHRLD-QFIPXVFZSA-N 431.489 0.969 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1839210652 WYJVQVFTBCKNMW-IERDGZPVSA-N 441.525 0.295 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839223045 KGSTUMSQHRPYFQ-YCRPNKLZSA-N 447.492 0.051 30 20 ICED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839577521 XZOMBRCOTXRDBI-IBGZPJMESA-N 431.474 0.109 30 20 ICED O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCN1 1840229112 ZFQPMXKYBLDFFI-AUSIDOKSSA-N 425.485 0.021 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840580549 HOKDAOWINZBDJB-AAZQJQCHSA-N 448.564 0.174 30 20 ICED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@H](C)C#N)c1)CCO2 1840716652 PEMQCIFRIINPQR-ZHRRBRCNSA-N 444.488 0.740 30 20 ICED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813397 WQSLALQVWFKGQJ-JOCHJYFZSA-N 427.505 0.911 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1840843193 AFYFPQLCUAXSLV-NRFANRHFSA-N 434.514 0.947 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1841746432 KGQANRRQKYSDBK-LSDHHAIUSA-N 438.525 0.722 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824703 VPUOZMWVVBPHSV-NIQDBXHUSA-N 447.448 0.489 30 20 ICED CN(C)C(=O)NCCN(C)c1cc(C#N)c([N+](=O)[O-])c(N(C)CCNC(=O)N(C)C)c1 428170116 JZBKPJSCLIEYIK-UHFFFAOYSA-N 434.501 0.881 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccnc1 440388990 HFYYIQXANGGSKP-UHFFFAOYSA-N 431.477 0.794 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 442154678 LUZRHLCLSDXRHP-OAHLLOKOSA-N 428.424 0.608 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443146594 MSYXWPODGWHQSG-UHFFFAOYSA-N 427.383 0.722 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 461190305 HONGWTHOPJOBEG-UHFFFAOYSA-N 438.535 0.538 30 20 ICED COc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc(-n2cccn2)c1 472728702 HXKRYOXTPFMTQB-UHFFFAOYSA-N 426.477 0.894 30 20 ICED CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 486657880 ZWUSBOFQHPOYBJ-GOSISDBHSA-N 438.465 0.863 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C[C@H]3CCOC3)c2=O)nc1 489012043 GNTLYQNRJCFTAU-HZPDHXFCSA-N 425.510 0.758 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(S(C)(=O)=O)c1 498087049 BVQZXJCJJKHDSQ-UHFFFAOYSA-N 443.485 0.653 30 20 ICED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCS(=O)(=O)CC1 500103561 DAMHAOOUWUJZQE-AWEZNQCLSA-N 426.524 0.187 30 20 ICED Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 506593329 WUZDMKGTZDULBI-CABCVRRESA-N 428.536 0.245 30 20 ICED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 506712072 AEVNMQBNMOVPTO-ZDUSSCGKSA-N 448.480 0.704 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1 507938808 PBCZWSGJBPZGFK-QGZVFWFLSA-N 428.470 0.593 30 20 ICED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508996020 MVNWQMLVJRDATC-QGZVFWFLSA-N 447.584 0.752 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 509378408 KRCDKFJDNMCSQI-UHFFFAOYSA-N 447.513 0.527 30 20 ICED C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 516678122 DUSHYXSPSGRGEW-MBOZVWFJSA-N 441.532 0.391 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 517686358 NJWZTLGLEIJTRX-UHFFFAOYSA-N 441.488 0.208 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 520441418 UVSCNGXNABERTJ-IBGZPJMESA-N 432.484 0.519 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C3CC3)[C@@H]3CC(=O)NC3=O)CC2)cc1 524023496 YDOYUOPRUAHLGE-QGZVFWFLSA-N 430.486 0.365 30 20 ICED CCS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 534531469 IUPCBTVRHJUVQB-UHFFFAOYSA-N 428.536 0.422 30 20 ICED C=CCc1cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1O 538738325 NPAQKIXLDCCNDQ-GOSISDBHSA-N 437.562 0.550 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 539916538 LXLGPTNRDYQSIC-PXAZEXFGSA-N 441.469 0.614 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545490933 VZDHKGYNXSPFLW-AWEZNQCLSA-N 442.501 0.068 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)n1 550582453 IQYOBRWFBHUSKQ-HNNXBMFYSA-N 426.477 0.999 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)cc1 551730742 FFQOHLUABRSAHR-WMZOPIPTSA-N 434.518 0.605 30 20 ICED C=CCOC[C@H]1NC(=O)N(c2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 553157403 FPZHMGBIZGCQKJ-OAHLLOKOSA-N 439.490 0.734 30 20 ICED Cc1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1S(=O)(=O)NCC#N 562182558 QCOKOIGWMISTES-UHFFFAOYSA-N 435.550 0.519 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 574713469 MAWMDVUPMATVGO-UOVPBQLFSA-N 430.457 0.819 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)c1 579062755 NZIQDUCKHSKRRJ-UHFFFAOYSA-N 449.514 0.655 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 603581388 YFBZEGRTEDXHST-YWTNHNAXSA-N 429.587 0.401 30 20 ICED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 610391730 LKASLSJYAYHUIM-UHFFFAOYSA-N 430.477 0.660 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 610425803 OBWIZFRDDDIGFG-UHFFFAOYSA-N 432.506 0.605 30 20 ICED N#C[C@@]1(F)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 615826303 RPJIBDLXTPZNQQ-IBGZPJMESA-N 440.472 0.903 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2)c1=O 684535503 QECYDVBHPZKHKY-INIZCTEOSA-N 425.510 0.497 30 20 ICED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCS(=O)(=O)C2)cn1 726889413 REODNVCBMDASRE-UONOGXRCSA-N 438.531 0.878 30 20 ICED Cn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(=O)n(C)c1=O 735035496 COKOTQFKPBLZGM-UHFFFAOYSA-N 425.424 0.225 30 20 ICED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737305059 NDSNYGLNLNYYKA-NDWLXSOOSA-N 440.522 0.342 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)c1 743919712 LWNHPITXOYUEPO-CVIUTVQRSA-N 433.534 0.791 30 20 ICED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 744031615 OKFZNEWSYAQNQQ-HNNXBMFYSA-N 443.437 0.678 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2csc(CS(C)(=O)=O)n2)c1 744601529 QZQFNMLKWVHNEQ-UHFFFAOYSA-N 428.513 0.956 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 746131125 QHZCGPSHLLSCJA-ZZEZOPTASA-N 443.485 0.196 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[C@@H](C#N)C1 754379594 MHJIVQBZQPIESG-BBOXDSQKSA-N 432.477 0.510 30 20 ICED Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1-n1cnnn1 755552242 MSNSOPFPPIINQV-HIFRSBDPSA-N 440.464 0.785 30 20 ICED N#Cc1cccc([C@H]2CN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CCO2)c1 761756508 AAPMXZBYQZMERB-WOJBJXKFSA-N 432.546 0.263 30 20 ICED N#Cc1cccc([C@@H]2CN(C(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CCO2)c1 762385251 SHMGMQLFMZVINM-SFHVURJKSA-N 442.453 0.714 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCOC3)c2=O)c1 763457775 GSKXLQBFJYMQAO-INIZCTEOSA-N 426.542 0.847 30 20 ICED C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 766364581 MURCYVVIAZDVEX-NNLSSIJJSA-N 437.522 0.556 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c(C)o1 767958501 JTMUTIRCOIYHPP-UHFFFAOYSA-N 440.506 0.842 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(=O)N(C)C)c2=O)cn1 772305425 ZEVYPOIGZCSGBY-UHFFFAOYSA-N 447.520 0.989 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C1CC1 782694381 XYDBLDDFJKUUEG-UHFFFAOYSA-N 436.335 0.770 30 20 ICED C[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCC1 787739766 RGIRWGXNQJODNI-RISCZKNCSA-N 429.882 0.473 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 793196297 UDGYMGOOVSIQCH-UHFFFAOYSA-N 426.248 0.795 30 20 ICED COc1ccc(CCN2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)cc1OC 793212678 RMPYMCJQQAXDFD-HNNXBMFYSA-N 435.502 0.845 30 20 ICED CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 796142442 LKXLMINBWJTCEM-UHFFFAOYSA-N 434.297 0.294 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 796148732 OTJOJNBRDJCSPA-UHFFFAOYSA-N 448.413 0.749 30 20 ICED COCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 802342943 NXUYQQYHVNMQSU-QGZVFWFLSA-N 446.533 0.811 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C 805033025 DLTQFHYHFQTBKT-CYBMUJFWSA-N 446.489 0.332 30 20 ICED C=CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccncc1 805810314 GWGUUQOKYAGRCE-QZTJIDSGSA-N 436.534 0.468 30 20 ICED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 808173812 GJUDYRIMBCZWRL-AEFFLSMTSA-N 441.488 0.907 30 20 ICED CN(CCn1cc(Br)cn1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 808482612 SWEVGMSYMNXDRK-UHFFFAOYSA-N 426.296 0.843 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CCC3)c2=O)cn1 814252442 UAEHHFUUXVIQAG-UHFFFAOYSA-N 429.546 0.753 30 20 ICED COCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 843473528 HEOHSAFASJHILA-CQSZACIVSA-N 443.547 0.167 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c(=O)n2C 916937058 APIMYZRVAPPFFW-SNVBAGLBSA-N 432.799 0.574 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C(=O)NC)c2ccccc2)cc1 918970123 RGHJTUGWVYREKD-LJQANCHMSA-N 445.497 0.911 30 20 ICED C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1288808951 ZJLJHYFQYHOSAH-LSDHHAIUSA-N 425.559 0.349 30 20 ICED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475882 HWBCDVATSKHKOA-CXAGYDPISA-N 435.531 0.391 30 20 ICED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1518710191 YPOHKKHCVPIJJC-JKIFEVAISA-N 430.506 0.335 30 20 ICED CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618941386 PHKXRCARPYAUBL-RBSFLKMASA-N 425.497 0.641 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690346245 OGCQLZYERMONFX-STQMWFEESA-N 432.934 0.030 30 20 ICED CCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1696176727 MCJFIQHEUONAFH-HOTGVXAUSA-N 432.506 0.751 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1707956726 ZUKCVYPHBGMJQR-BTYIYWSLSA-N 426.477 0.547 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1710875190 ONYBVGUPPAIACN-MRXNPFEDSA-N 432.506 0.203 30 20 ICED COCCN1C[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712472341 WOXPDPQNVMHSBX-MSOLQXFVSA-N 442.524 0.363 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1740811226 OGYJYSOCHQFNPO-AWEZNQCLSA-N 430.962 0.191 30 20 ICED Cc1ccoc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1761635582 QHBQOZRAPFYELV-GOEBONIOSA-N 436.494 0.290 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779395417 WLUGQWDUYIRDQA-NFBKMPQASA-N 447.576 0.531 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779553432 INTLVTIITVETOY-QTQZEZTPSA-N 425.526 0.243 30 20 ICED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cn3c(nc2=O)SCC3)C1 1780543954 DIYNWFAKFRVGPN-IIBYNOLFSA-N 432.546 0.982 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781057957 WWIUKEMDVYVCRR-IXFSTUDKSA-N 447.532 0.727 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1782015308 JSBLJQGQYZUYBL-YCRNBWNJSA-N 438.484 0.355 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782479987 RYVISMZMZXJUJD-FOIQADDNSA-N 449.581 0.693 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N(C(=O)OC(C)(C)C)C1)CCO2 1783054249 CRJNFKWIPMABNO-SCYDXJQRSA-N 447.532 0.864 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@H](O)c1ccco1 1783565023 IGNDJPLXGNGDGW-MEZWHVQBSA-N 430.501 0.991 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)ccc1F 1784039318 LMWVKJPRZRDIKP-KSFYIVLOSA-N 428.464 0.596 30 20 ICED O=C(CN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1784279875 UILCIJHLPNCACZ-OZZMQFRTSA-N 447.513 0.919 30 20 ICED C#CCO[C@H](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 1784475005 SYQUHXCDKMTDPV-ADHGMGHFSA-N 437.537 0.918 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788879 IYESVTRJEGRGIT-MQNAVGNWSA-N 448.564 0.847 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c(CC)c3F)[C@H]2C1 1785792728 OGNAMDPXFCLCTA-BQYGTXGQSA-N 433.484 0.563 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368745 ONBFSCNKGBMRHH-JONQDZQNSA-N 434.493 0.806 30 20 ICED NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786558268 PLZAGRMMFHWMNJ-IHPCNDPISA-N 432.480 0.826 30 20 ICED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1791258945 HMARALBSNOFVAM-OVWQWFNUSA-N 434.562 0.830 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837436 SAQFSCILHQJRKI-FHTPNYMGSA-N 448.903 0.897 30 20 ICED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1793373900 ZHSACBYKZBNGDJ-YDXRZFBYSA-N 433.530 0.991 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793386957 WLKXPLZPLHPJHX-HITLURFISA-N 434.562 0.744 30 20 ICED 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)C1CC1 1796359156 NODZNGBERLNJHR-FTWQHDNSSA-N 449.548 0.918 30 20 ICED CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)CC1 1797810656 VBMKKJCHQWAXCB-DUVKUMBUSA-N 436.553 0.837 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800673075 SGXTVXDSNOTMTE-JYYAWHABSA-N 425.526 0.674 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)cs1)C2 1800775787 GVXCGOOZXYVXRY-KEODLESXSA-N 427.276 0.802 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1801762594 MSPNWLPNZPNINV-KUZCPNRJSA-N 442.472 0.060 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802675860 SEUNYKWFWNQGFH-FLNVOPPSSA-N 442.520 0.217 30 20 ICED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1804172165 HMQCODILZHAXHU-IHPCNDPISA-N 434.562 0.657 30 20 ICED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1807116414 TTYXTEAGDDRBDG-BIGGXTMTSA-N 437.504 0.639 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807192671 BKBMNEFLGILUOC-FUHIMQAGSA-N 445.520 0.190 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1810360099 DTEARUVOMDYHHY-BSIQHXKISA-N 434.493 0.625 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812391578 CKUNJJNZQJCGFA-GDBMZVCRSA-N 438.431 0.842 30 20 ICED CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770501 MAQKMHDOMNXUEA-LNOXHEFASA-N 435.554 0.798 30 20 ICED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399515 NQAAKHOEMVZFOM-OAHLLOKOSA-N 426.481 0.596 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828954109 KZIWFWWVIRHGEB-JOCHJYFZSA-N 427.505 0.947 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1829861424 LTEASKSWHFKREA-OFNKIYASSA-N 442.516 0.851 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(OC)cc3)CCO2)C1 1830234192 PEBIVJLPBAEXDL-MBSDFSHPSA-N 446.500 0.569 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1831391948 HCZOPDRDVXFTKB-GAJHUEQPSA-N 444.484 0.566 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1831399102 ORYPAKGZQUMMAW-UZUQRXQVSA-N 438.484 0.738 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831410985 IWXCTBOBPNNTNP-LJQANCHMSA-N 437.453 0.371 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)s1 1831488629 YMRKJNXKFQZIGV-AEFFLSMTSA-N 428.580 0.800 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831492530 KWGFTFOHLDPWBV-CZUORRHYSA-N 442.456 0.503 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831493637 TZZNVTILOPDWQC-CLCXKQKWSA-N 430.571 0.105 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832763518 PQCOBFPGXMFLFL-VGSWGCGISA-N 433.505 0.680 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1833469002 IWGKVPPZWAELAF-SFHVURJKSA-N 432.565 0.609 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1835351107 KGEQTCHUIDNIEP-JOCHJYFZSA-N 448.541 0.502 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1835439706 OABGRBFYNJWZGF-KSFYIVLOSA-N 428.489 0.472 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835712600 OMSZZDCEHMOLOM-VQIMIIECSA-N 434.581 0.657 30 20 ICED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835886465 XQIPMPGAOKNADY-ZLTNTPEESA-N 440.541 0.360 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)NC=O)CC3)CC2)c1 1836126245 ZRMBXAJTPXJMPC-INIZCTEOSA-N 441.532 0.887 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(CC)c3Cl)CCO2)C1 1836228496 UAPNBJAHMUIHKT-VLIAUNLRSA-N 438.912 0.734 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1836288648 GQBLLEPWVZHJSA-GOSISDBHSA-N 437.378 0.451 30 20 ICED Cc1c[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1836543395 ZQPLYLDRPSYDHZ-OMJZWIOZSA-N 434.493 0.922 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837841548 DBPCRYJBNLMPCM-CPUXBYDOSA-N 447.536 0.290 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837869301 IOLVEJHANHNRSI-MRXNPFEDSA-N 435.569 0.791 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(Cl)nn4)C3)C2)c1 1838738264 ZCNBBLRGEVUSPD-IBGZPJMESA-N 430.852 0.714 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273575 JYANAWSPAFIUDM-YCRPNKLZSA-N 449.460 0.962 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839391038 XEPDFSBJEIRAFG-ZZVZOJOMSA-N 437.518 0.531 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424424 IOYACDSCBKLQNZ-JLTOFOAXSA-N 434.880 0.416 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1)C(F)(F)F 1839891724 UJIPMJUFLPXNCL-GOSISDBHSA-N 429.395 0.574 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1840042331 NXBNNISZSXQOQQ-GOSISDBHSA-N 425.800 0.032 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840160788 RYIOHKUOLNMLIN-VFNWGFHPSA-N 446.529 0.554 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497281 QZJYSBKMTAOOFY-YQNSVDCASA-N 445.520 0.258 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840828266 SRJNWGXGVGZCRW-OALUTQOASA-N 430.448 0.998 30 20 ICED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840912657 JEWKAFCLYKXNNA-NRVIRDBHSA-N 448.520 0.754 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cc(O)ncn1)C2 1847069239 KHXFKYUICSOHJV-CQSZACIVSA-N 429.477 0.916 30 20 ICED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCOCCOC 1848064044 UTQYQGNPOWYPSP-ROUUACIJSA-N 430.567 0.804 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 60347755 MQECWWMNXFZSDL-UHFFFAOYSA-N 443.529 0.614 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1Cl 427145621 ZJPRWDCLNBLART-QGZVFWFLSA-N 441.875 0.869 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)n2)c(F)c1 427699033 VRHAWRNMIBWHIX-ZOICIAPXSA-N 447.470 1.447 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)nc1 432965916 ITFNYQOLYCRJAW-INIZCTEOSA-N 425.449 0.694 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C(F)(F)F 435161143 ANBRSRVZMCXFBK-UHFFFAOYSA-N 446.451 0.742 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 441970157 JGXSCRLMKIXKAZ-MRXNPFEDSA-N 434.460 1.326 30 20 ICED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1O 442982972 ZILUSIVZSGIUGH-UHFFFAOYSA-N 442.453 0.741 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCSC 443666994 GHWUGGCSAQXTFP-UHFFFAOYSA-N 446.554 0.783 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 460574595 NVIVPGIKXAXLEY-IYBDPMFKSA-N 439.520 1.390 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C(C)C)cc3C#N)cc2)CC1 469287428 QYRSZAHLAZDTSD-UHFFFAOYSA-N 444.517 1.441 30 20 ICED COc1cccc(OCCN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 484697217 KDMAZKABZSWWTM-UHFFFAOYSA-N 426.477 0.967 30 20 ICED N#Cc1ccc(Cn2cnc(=NC(=O)C(=O)NCCN=c3ccc4ccccc4[nH]3)[nH]2)cc1 491322363 LBCLMNPHCMBRIE-UHFFFAOYSA-N 440.467 0.757 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)c1 505590877 PNGQRXZOBIJWCZ-UHFFFAOYSA-N 449.533 0.666 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccccc2C#N)c1=O 505698955 FEKCBMXFPBWICR-INIZCTEOSA-N 445.504 0.921 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506713154 WYPDUVSRBSLHEE-HUUCEWRRSA-N 445.505 0.220 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(OCCO)CCOCC3)n2)c(F)c1 506730873 XYAMTAHCYQVRIE-UHFFFAOYSA-N 431.424 0.496 30 20 ICED C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(N)=O)C1 508937453 XOTUHWBNBSWYCL-LJQANCHMSA-N 425.537 0.519 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1CC(N)=O 525173613 KRIZGMYNRUJYMY-UHFFFAOYSA-N 448.932 0.476 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(N4CCOCC4)ccn3)CC2)cc1 525886262 OIARHHNBPOQUAN-UHFFFAOYSA-N 441.513 0.937 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc(Br)c1=O 536919777 GKJWWLIIKGHRDD-UHFFFAOYSA-N 445.277 0.702 30 20 ICED CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)cn1CCOC 539638001 LVKKXHGECNJEGG-MGBSGCIJSA-N 440.456 0.928 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 553116350 UJZHTGAIVDMZHW-PJFSTRORSA-N 433.490 0.204 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 555046157 NRSSGFAFUXEACQ-UHFFFAOYSA-N 434.499 0.334 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 561617562 PTTSBFDOCOWHCU-MRXNPFEDSA-N 447.923 0.008 30 20 ICED CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCSC1 567067129 QKUCTELFICWYEZ-DYESRHJHSA-N 429.546 0.329 30 20 ICED Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 571092147 JWFWIXPMXRXPIA-CQSZACIVSA-N 437.503 0.340 30 20 ICED CS(=O)(=O)CCCS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 610134050 PYWDNVURHHTGGY-UHFFFAOYSA-N 425.536 0.613 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(=O)N(C)C 610928878 NPNDBMDUYNUXNY-UHFFFAOYSA-N 438.962 0.741 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)C#N)c(=O)n2Cc1ccccc1 611694293 JEKMCKUKEFWLBN-UHFFFAOYSA-N 438.488 0.720 30 20 ICED CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402333 FLZTWSFKQMGVPF-UXPDKRSESA-N 428.536 0.307 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1=O 727824735 LMIIFVHISCNCQO-UHFFFAOYSA-N 447.442 0.237 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CCS(C)(=O)=O)c1=O 729672717 DPXVSCDPFIWTNV-UHFFFAOYSA-N 436.559 0.196 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 733149597 MQLKEYKMVBVPSV-KRWDZBQOSA-N 440.500 0.094 30 20 ICED CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 734226089 SPLWGKDSHFOWRD-VKQKCINQSA-N 449.533 0.563 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 734600735 FZUPUJKOLXVZAE-UHFFFAOYSA-N 439.453 0.515 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)ccc2c1=O 739696531 JGFHQTIGOFDQFN-GFCCVEGCSA-N 437.547 0.517 30 20 ICED C[C@@H](CC(=O)NC1CCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742515642 UXAHBWJGCXPVKQ-LBPRGKRZSA-N 428.536 0.044 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)cn1 743726862 WGHIOPJYBTUKJR-UHFFFAOYSA-N 445.570 0.166 30 20 ICED Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744494767 GVMDRLLFYDLFEL-UHFFFAOYSA-N 433.490 0.938 30 20 ICED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)CC1 748652410 VISBUMJQRMFKFJ-UHFFFAOYSA-N 426.546 0.973 30 20 ICED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1 753792226 WPPNEQAJTVZAQA-UHFFFAOYSA-N 440.547 0.188 30 20 ICED CC[C@H]1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 757119916 GNWIRVJKZZWDDA-IRXDYDNUSA-N 435.502 0.892 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C#N)cs2)c1=O 758066417 IAQZMEFVFNQYED-UHFFFAOYSA-N 437.550 0.143 30 20 ICED C#CCCN1CCC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 760369695 WYVVPHQZKAUUBM-FQEVSTJZSA-N 448.589 0.820 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCNC(=O)C1 763235293 MKKYMCVXWSRUIN-MRXNPFEDSA-N 435.550 0.222 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ncn(C)n2)cn1 768416070 DNPVKLLRPZCYBH-CYBMUJFWSA-N 440.493 0.982 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCCO1 773802312 ZSASIPQPFJOWNQ-ZAUIQWQISA-N 432.502 0.735 30 20 ICED C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 775328223 KEQZZYHEFIKQJZ-BBWFWOEESA-N 428.532 0.065 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1=O 785285767 RXKIHJDQPPKDBC-LBPRGKRZSA-N 427.335 0.622 30 20 ICED C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1 789323939 DDXJYYGCOYHVJW-UHFFFAOYSA-N 433.534 0.820 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)CC2)cc1 798547837 BUMQMVMGJMOCCJ-AEFFLSMTSA-N 432.502 0.916 30 20 ICED COC(=O)[C@@H](NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 811137498 YHAWMWIDMFIUTG-SJCJKPOMSA-N 439.490 0.361 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2OC)c1=O 916199878 LMRGLGOTCYRSNG-UHFFFAOYSA-N 443.525 0.699 30 20 ICED CC1CC(C#N)(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1135931221 FXJHYPYHKAVFCD-UHFFFAOYSA-N 433.534 0.691 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1303640468 KMEBQHXKKRQKTL-HUUCEWRRSA-N 428.584 0.899 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1314142517 VRRWUJBTQGTFOG-KBXCAEBGSA-N 425.511 0.236 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1316360282 SKFQHFYCAQLVPW-HNNXBMFYSA-N 431.478 0.007 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1319824437 BWQHSSVKCUDLOZ-QAPCUYQASA-N 426.516 0.064 30 20 ICED COC(=O)C1(C#N)CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1475293013 XRTYXUZFONSVTA-UHFFFAOYSA-N 447.510 0.555 30 20 ICED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=O 1641220392 UUPJVODWETXZKP-UHFFFAOYSA-N 442.785 0.824 30 20 ICED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1693747941 PASXWGOVMTWRKZ-GDBMZVCRSA-N 428.518 0.918 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706556244 TZTRVTMBFJCSPE-MAUKXSAKSA-N 443.549 0.393 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1711325567 PFXZDUYUTVAPTH-OAQYLSRUSA-N 435.492 0.868 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767845776 YJOHOPXCXGIDOH-SFHVURJKSA-N 440.533 0.543 30 20 ICED CS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1771357209 IVSPWZMFABOASQ-IBGZPJMESA-N 448.528 0.939 30 20 ICED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CCO1 1771537360 MYNUKXKASYCQBU-CVEARBPZSA-N 436.538 0.312 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1779060373 AUAWEJMITGCRJX-QHCPKHFHSA-N 428.533 0.800 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062322 HWZPCEVINVWYCA-QFIPXVFZSA-N 430.505 0.571 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)ccc1F 1779310170 GPZFLXLTVFYVRD-XMSQKQJNSA-N 441.463 0.630 30 20 ICED 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440.566 0.714 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980578 ZFWIZVJDYBJMDP-CPOKCXMASA-N 448.524 0.806 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc[nH]c3cc1F)CCO2 1838575496 FXTYAXLXVCXWPA-NRFANRHFSA-N 429.404 0.465 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5N4)C3)C2)c1 1838740436 KPVNIRDMSBMRJR-NZQKXSOJSA-N 435.484 0.993 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759072 TWBMHPCFTSHMAF-VGOFRKELSA-N 449.552 0.676 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(O)c1OC 1839378295 ZMJOPRPAPLRRQG-XCLFUZPHSA-N 440.518 0.798 30 20 ICED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420186 UBMZXFCISHMQRK-HXUWFJFHSA-N 428.424 0.210 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)c1 1839421415 ODIAMRXANBRYFG-NRFANRHFSA-N 425.420 0.871 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839727582 SBMLNULEZHXXTO-SSPYTLHUSA-N 443.544 0.654 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1839956348 NGBXAWRQTWORDG-KKLQWCBXSA-N 432.517 0.638 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]13CCN(C(=O)OC(C)(C)C)C[C@H]1C3)CCO2 1840002724 FCJOCNMHXKWKQG-MQNAVGNWSA-N 447.532 0.723 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840130765 UURNJLGUMKTURD-MBSDFSHPSA-N 434.533 0.757 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnccn1)CCO2 1840485867 VMTIRKRFYRIVQD-RXVLNYDTSA-N 432.480 0.998 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840537579 GKTZMVWMQLAMBD-VGOFRKELSA-N 429.473 0.673 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1)C(=O)O 1840837374 ZFLHEMJWKQHDGS-LMZZKXEPSA-N 448.497 0.974 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)C(=O)OCC)CCO2)C1 1840884915 BONOYSJDSQDZMW-KSFYIVLOSA-N 440.537 0.605 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1841748379 TVRFMOPLVRCKIZ-INIZCTEOSA-N 445.520 0.916 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)[C@H]1SC(=N)NC1=O 1844300651 UPALVMBYQFMKIJ-CJHVCLSASA-N 437.522 0.521 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1845106804 GYNOXENUFVPGDW-NVXWUHKLSA-N 443.504 0.931 30 20 ICED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)CN1S(=O)(=O)N(C)C[C@@H](C)C#N 409499778 IBKQHQDAVGLTTR-YHUYYLMFSA-N 434.588 0.054 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 431319288 PZZUGIJVMZTGSH-QWHCGFSZSA-N 435.428 0.938 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)n1 447370096 ZIPKMQODAHFPJR-UHFFFAOYSA-N 442.480 1.149 30 20 ICED CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 479898392 GXYLQPOKKZQQBA-MRXNPFEDSA-N 435.550 0.238 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCO[C@@H]2C)cc1 485166931 KDMBSIICSKAOGA-RHSMWYFYSA-N 425.507 0.430 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(CC)S(=O)(=O)N(CC)C[C@@H](C)C#N 499495126 WYBPKDAZVPRRGD-CVEARBPZSA-N 436.604 0.351 30 20 ICED C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501109574 IWXCABTUAPPMOF-DOTOQJQBSA-N 427.530 0.920 30 20 ICED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@]12C(=O)Nc1ccccc12 513660202 KMWHUHJCSUOCHC-HJPURHCSSA-N 433.468 0.909 30 20 ICED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2O1 515944131 AIZPJMADPJTWGR-GOSISDBHSA-N 435.440 0.569 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 516678433 PUHCDWZRQWSCDH-YLJYHZDGSA-N 444.532 0.640 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)n1 546794356 NUWRDZZYXOZDKD-UHFFFAOYSA-N 438.398 1.099 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 552462171 JPACYEWCYBVSLS-UHFFFAOYSA-N 432.458 0.520 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 555938538 PZRBCAPQLCVABM-LBPRGKRZSA-N 429.296 0.799 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 570033486 XDRYPSIOXQDVNM-HKUYNNGSSA-N 436.459 0.357 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N[C@@H](C)c3ccc(OC)cc3)no2)C1=O 574145253 HTTGLBGLKJNSCJ-LBPRGKRZSA-N 427.417 0.975 30 20 ICED N#Cc1ccc(=NCC(=O)NCc2ncccc2NC(=O)CN=c2ccc(C#N)c[nH]2)[nH]c1 578553357 KRMMBNFIGQWDQO-UHFFFAOYSA-N 441.455 0.238 30 20 ICED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 579781400 OBYHGBCALXSRRN-OAQYLSRUSA-N 440.460 0.896 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1=O 607097654 PQGRNRHSRXGSSE-UHFFFAOYSA-N 440.453 0.818 30 20 ICED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 616129801 ATVKERGPVYPAGJ-KSSFIOAISA-N 430.486 0.911 30 20 ICED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cn1 619837684 BOFKDZRBGIBRHJ-UHFFFAOYSA-N 431.884 0.341 30 20 ICED Cc1ccnc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 733867250 YNFYJBJYWJZPCE-HNNXBMFYSA-N 427.442 0.972 30 20 ICED C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 737307545 RTHMBOMULOXHNL-GFUWFAGDSA-N 441.488 0.881 30 20 ICED C[C@H](CC(=O)N[C@H]1CCN(C2CCN(C)CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742665671 GFKHILDZIZLDEJ-CVEARBPZSA-N 433.578 0.788 30 20 ICED CC(C)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 742669339 IMPHODUNXBEGAQ-AEFFLSMTSA-N 435.594 0.892 30 20 ICED N#C[C@@H](C(=O)CCN1CCCS1(=O)=O)c1nnc(N2CCOCC2)n1-c1ccccc1 744938229 KFBNALKXVLTGFR-KRWDZBQOSA-N 444.517 0.706 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746572429 QEXMFKLWCFOWFD-AWEZNQCLSA-N 431.470 0.691 30 20 ICED C[C@@H](CC(=O)NCC1(O)CCC2(CC1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 748365010 OHNMFHMKTLJTLA-AWEZNQCLSA-N 437.518 0.668 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)OC(C)(C)C 750815071 NIRXQCMUQURXIY-LBPRGKRZSA-N 425.463 0.226 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)C2=O)cc1 753993145 DUNFEQLWESFQLN-SFHVURJKSA-N 429.440 0.995 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 754796630 MLIOZEHXXHKWSS-UHFFFAOYSA-N 443.428 0.722 30 20 ICED N#Cc1c(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cccc1S(N)(=O)=O 754978767 XGTWUNVNRLKXCZ-UHFFFAOYSA-N 431.499 0.477 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1F 755477794 UKMYPKVMBUMUTC-RPLLJCPNSA-N 447.488 0.827 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 766559650 MCBFEAVXOJGDLR-UCXBAENPSA-N 444.517 0.835 30 20 ICED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 776592815 NXFKWVUNXICMMV-UHFFFAOYSA-N 449.533 0.069 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)c1 784913049 YRTFGDNSHSZBJP-IXPAQYDLSA-N 440.547 0.374 30 20 ICED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 789115238 CVUYNOXETRARJN-KPZWWZAWSA-N 434.474 0.787 30 20 ICED CC1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 796421368 ZPHPMQYSLRPJGK-CLOOOTJHSA-N 425.532 0.752 30 20 ICED CCN(CCOCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 800644626 IVZCFYCRJHMEDP-HEHNFIMWSA-N 440.522 0.295 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC[S@](=O)Cc2ccccc2)CC1 805411272 SGCKDAIGFPIYIH-PMERELPUSA-N 425.514 0.667 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(F)ccc2OC)c1=O 812278588 MARQRDOCGVLZBY-UHFFFAOYSA-N 443.500 0.737 30 20 ICED N#Cc1ccccc1OCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 917730449 AHHFGGBYHCHUST-IRXDYDNUSA-N 436.486 0.675 30 20 ICED CCOC(=O)C1=C(COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)NC(=O)N[C@H]1C 919316152 UXJKXYWVQYDLIB-LBPRGKRZSA-N 435.458 0.535 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1299135269 XOITUIFEJHAJNQ-QFBILLFUSA-N 439.520 0.489 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CCCS2(=O)=O)cc1 1302989722 PNHCCVSAACCPNQ-UHFFFAOYSA-N 443.533 0.554 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCS(C)(=O)=O)CC2)c1C#N 1304730769 IRCXUFADXPANOH-UHFFFAOYSA-N 443.537 0.558 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)ccc1F 1317823278 GAQUAHHSGBRLTM-UHFFFAOYSA-N 427.454 0.171 30 20 ICED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCC(F)(F)F 1318127006 BMDXZNLQKKNWRR-GFCCVEGCSA-N 447.439 0.641 30 20 ICED CS(=O)(=O)N[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1333087425 WPQYUULZMYZGRP-HOCLYGCPSA-N 433.490 0.303 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1503407922 KDGHNSOKWZLNCR-PBHICJAKSA-N 444.583 0.202 30 20 ICED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)N1CCOCC1 1546527596 LBMFPSIVXGBEQD-INIZCTEOSA-N 427.557 0.801 30 20 ICED N#CC[C@@]1(O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659155985 UEMOLXZRJHABIH-HXUWFJFHSA-N 436.534 0.621 30 20 ICED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1697019641 PWPNMZWXHVWLOK-UHFFFAOYSA-N 431.522 0.571 30 20 ICED COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1712453671 VXQCULOZVDHUHG-UHFFFAOYSA-N 436.538 0.590 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750387715 ZHNOGESQWVDYDN-RRFJBIMHSA-N 430.431 0.774 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1767848177 YMXANFIBEFYYSO-FOIQADDNSA-N 446.533 0.750 30 20 ICED CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1768530858 VKGOHBOPPZJQHP-YOEHRIQHSA-N 448.505 0.411 30 20 ICED COC(=O)C12CCC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(CC1)CC2 1778305961 HXUAEMUSPPEISE-LZBANZJXSA-N 432.473 0.418 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474990 HLJWDYJFBMUVIJ-XZYKOBSISA-N 442.476 0.702 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1779020095 XVJJPNBCFLXJCJ-UQQIOGDDSA-N 425.493 0.873 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1779319577 QORUNJUAZZIPCD-WIYYLYMNSA-N 448.907 0.806 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1779330638 OINVGLKIBHRZOS-KYFSNAEOSA-N 444.594 0.754 30 20 ICED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cc[n+]([O-])cc1 1779943833 JWHGQCLEFUPEKN-VHDNZURFSA-N 446.504 0.977 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1780101981 SVTHTYURGQXTHA-QHCPKHFHSA-N 427.501 0.527 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1 1780350024 RCSNEKSFDDFFAF-SFGWALBWSA-N 444.488 0.750 30 20 ICED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CCOC1 1781309392 WSIRIORVFUVWFN-SFTDATJTSA-N 436.509 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781927137 BIIMINZFAVUZOP-RMUOZIPVSA-N 435.427 0.972 30 20 ICED Cn1ccc2c(O)ncc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)c21 1782013458 MYSVNCZZKPDBTQ-OPAMFIHVSA-N 440.456 0.494 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1782180292 YELLITYXHHMDBU-YRVKDEGTSA-N 428.580 0.621 30 20 ICED Cn1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1782198396 QJAJPCIZGNBMJW-QFIPXVFZSA-N 433.472 0.854 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]32)C1 1783459377 YCZBJKSLYHIVGB-DKIMLUQUSA-N 437.537 0.818 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]3C2)C1 1783990156 MHNMWSSAFUFCDF-DKIMLUQUSA-N 437.537 0.818 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1784200238 NGWDIMPRDXETOB-JOCHJYFZSA-N 444.557 0.915 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1784373696 UJOWZMKLFFGVKC-RRMPHLOHSA-N 448.524 0.088 30 20 ICED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1784385397 MRLHTSWFYWMFQM-SZMVWBNQSA-N 442.541 0.285 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(NC(C)=O)c3)C2)C1 1785109554 UCUUOROKYDBZCT-XBKFQHLESA-N 440.500 0.947 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1785572582 MXYQYZXVXRSSDM-QVKFZJNVSA-N 431.493 0.770 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1785575168 ZHEQBLKHJBUNNF-IIBYNOLFSA-N 446.508 0.025 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21 1786857777 DCBKAQIHCYNZPV-MUGJNUQGSA-N 428.533 0.982 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](N)c3cccnc3)C[C@@H]21 1786858205 MNOWSBKVJKNNMF-HAGHYFMRSA-N 442.564 0.733 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1786859139 NYWFKDLYGWXEDD-IEZWGBDMSA-N 439.520 0.604 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1786860231 QUETTYUUYLRKGA-WDSOQIARSA-N 428.537 0.671 30 20 ICED Cc1cn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC#N)C[C@@H]43)cnc2s1 1788036885 VFIOXAJKMGABHO-BPUTZDHNSA-N 429.502 0.962 30 20 ICED O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637081 CBMFNMFRQZPDMA-ULQDDVLXSA-N 438.546 0.483 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C[C@@H]21 1788656711 RXANFAPIMFQBIU-YVMYYSCHSA-N 433.509 0.851 30 20 ICED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788775522 LZTRMYWSRLSRDC-MUGJNUQGSA-N 428.489 0.303 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c(O)n1 1790859177 LPEDPDPDSNRIIG-LNMJFAINSA-N 442.516 0.635 30 20 ICED COc1cccc(N2C[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CC2=O)c1 1792427244 BRKBNLVZBNVTBW-DBHNTLKXSA-N 440.500 0.941 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1792484230 BGWSCFMBECWMMW-VLTQWEFMSA-N 429.473 0.219 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3sccn13)C2 1792566688 VJNMMKWQYPHVPS-BNHNOLAQSA-N 441.513 0.866 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)c1 1792835985 ZQJUKSCPMKYYCM-BBIADKPPSA-N 435.484 0.949 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1793343538 ZHKOSRFRZVEZSR-GGXPGOJBSA-N 438.484 0.175 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)ncc1[N+](=O)[O-] 1796599075 ONTAJYRLLVGKNO-NWIFUHBESA-N 444.492 0.973 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746989 ZFHNEJJRIIBIQD-AMVTXUCVSA-N 426.452 0.828 30 20 ICED COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c([N+](=O)[O-])c1 1800792445 MGJQPFOUCUJJJA-BTTYYORXSA-N 429.385 0.721 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1 1810793673 GOLJBVOXALHBNM-OGWOLHLISA-N 437.456 0.928 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NN2)[C@@H]1c1cccnc1 1812307646 LLVMHMIQQUJCGM-RFWXGWTQSA-N 445.479 0.942 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713887 QRXNBODYPIVDAI-NQIIRXRSSA-N 436.578 0.293 30 20 ICED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)CC1 1815671356 OOUAKUVBKDLZQQ-HNNXBMFYSA-N 434.522 0.436 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819448325 NCHSFWZHWIXEHA-KKSFZXQISA-N 449.508 0.562 30 20 ICED Nc1n[nH]c(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=N/N4CCCCC4)sc3C2)n1 1819777307 YHEZLCBYILPHQA-OVMKCGGTSA-N 445.553 0.860 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820242257 MCMBRXIRQNDVRQ-IDTUSYRASA-N 425.449 0.657 30 20 ICED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825322779 GJSLLNSIERXMGU-CYBMUJFWSA-N 428.580 0.261 30 20 ICED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2)n1cnnn1 1826977957 IJNXKOZHFHXOBG-IFISONFRSA-N 448.509 0.832 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCN2C(=O)OCc1ccccc1 1829233034 CZHKANWBYKICNU-JOCHJYFZSA-N 436.472 0.363 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n[nH]1 1829904315 OOMOJVHDCLOYOI-HSZRJFAPSA-N 437.500 0.831 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830004476 JWSMKSPJTVVUNL-GCJKJVERSA-N 438.569 0.976 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1830059622 GTDQBDYHZRKNHH-HXUWFJFHSA-N 445.501 0.376 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830339333 QWGWWJNNYQHKSF-VGSWGCGISA-N 432.473 0.266 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1831215894 AYUPLIYMHKENBI-QHCPKHFHSA-N 435.484 0.955 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C(C)C)N1Cc3ccccc3C1=O)CCO2 1831345589 AWZJSZAQNAMDLC-XUZZJYLKSA-N 439.512 0.757 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1831392153 JLFJVNKFXILDSX-KKSFZXQISA-N 446.460 0.407 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1831419675 ONNHLCZROGBOPJ-TVTNDZMWSA-N 439.553 0.585 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831488659 ZGVUEIINTZLITF-DYVFJYSZSA-N 427.483 0.342 30 20 ICED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832463124 OQBYYNIQMXGSJO-WIOPSUGQSA-N 437.540 0.913 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1833307617 IUIWGSYDRPGPCM-DEOSSOPVSA-N 448.479 0.302 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833446919 UKKAKWZIUBHWPK-SFHVURJKSA-N 428.436 0.710 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1833468513 BZMJNNBDHUFPHT-QGZVFWFLSA-N 429.521 0.465 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834037324 NNGCUYMLBYPFMQ-QFIPXVFZSA-N 429.521 0.742 30 20 ICED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767367 HIOMBUUOOBKZJH-WHSLLNHNSA-N 436.509 0.660 30 20 ICED COC(=O)N(CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccccc1 1834769082 ZLEZKGDHDDVLDZ-JOCHJYFZSA-N 444.488 0.625 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1835682420 HKVWLHPIFUSSKQ-OAQYLSRUSA-N 431.493 0.139 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3Cc4ccccc4CN3)CCO2)C1 1836499018 QHVVIEQWNIYXSS-MEKIYTOJSA-N 441.528 0.196 30 20 ICED C=CCC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836534489 MKAHGRQMMRIJFU-OAHLLOKOSA-N 441.479 0.368 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C(=O)OC)nc4)CCO3)C2)C1 1836545102 SLKFHQUSNFGSMB-QFIPXVFZSA-N 429.473 0.904 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn5ccnc5c4)CCO3)C2)c1 1836986482 IOPKTHGUZWZOQU-JOCHJYFZSA-N 434.456 0.918 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837465787 JKCKSKPQYPFNJQ-UTKZUKDTSA-N 438.594 0.695 30 20 ICED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cnn1C 1837524255 DDZGGZCIBYLTSS-XGVOGHQPSA-N 449.508 0.328 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1837526485 FBBAALBSUMQARS-BRWYKISVSA-N 435.481 0.019 30 20 ICED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(C(F)(F)F)n1 1837960489 DVTCTRAISNDDLW-GOSISDBHSA-N 441.410 0.813 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838400349 FCZNHUZGMWAYBW-UHFFFAOYSA-N 436.549 0.693 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(C#N)c1 1839131258 AAEXEHRKGLFBGR-DEOSSOPVSA-N 437.496 0.979 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772565 CFCZMYPTHDQSDY-OAQYLSRUSA-N 435.521 0.926 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839880543 TWUKVWUGASQPLH-OPAMFIHVSA-N 428.489 0.347 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 1840042646 GLIMECZUMPGRNU-NPPFBWRTSA-N 446.887 0.988 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840158801 RCQNTDBOHDZVDJ-BXTJHSDWSA-N 443.566 0.771 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(Cc1ccco1)C(=O)OCC)CCO2 1840340529 OPMHFJPJJVIKEF-NRFANRHFSA-N 433.461 0.328 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840457696 NYHFZGZJVWHNIH-BHSKHCGUSA-N 444.536 0.337 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840481096 CGZVEYHRGKBHIX-JOCHJYFZSA-N 433.505 0.647 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840781722 JAXUVSWFRPDSPU-KSFYIVLOSA-N 436.480 0.979 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1840802743 BWXGSRDIZHVYPF-LIRRHRJNSA-N 431.555 0.676 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1840851074 JDOUTQGCCQCRSV-ABSDTBQOSA-N 429.583 0.702 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1847081272 SQUAVQRCJDTHGW-HKZYLEAXSA-N 434.493 0.768 30 20 ICED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 19064878 OTNQQBJGPMFXKS-UHFFFAOYSA-N 437.518 0.460 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)C[C@H](C)O1 26193470 CGYVPDGGLXCGAA-IRXDYDNUSA-N 435.550 0.858 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1=O 31751574 UKBVPWDRVOQMHJ-UHFFFAOYSA-N 436.472 0.985 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 62122609 XRIOGTHJTACFML-UHFFFAOYSA-N 437.566 0.185 30 20 ICED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 65401742 YBZYZWDVMYBGIN-UHFFFAOYSA-N 436.412 0.883 30 20 ICED COc1cc(C=NNC(=S)NC[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 254415783 BBLSGKLIGBMUNC-INIZCTEOSA-N 436.534 0.910 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 410154170 LOISZKYQVUWLBF-MRXNPFEDSA-N 448.542 0.675 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 429687070 VFPYAASXHUZWTR-UHFFFAOYSA-N 431.460 0.833 30 20 ICED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 429923796 YALPHKYJNJQYPB-CYBMUJFWSA-N 427.552 0.825 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3csc([C@H](C)OC)n3)CC2)C1=O 438392080 ZZLUWHHYEGKVQL-AWEZNQCLSA-N 449.533 0.862 30 20 ICED CNS(=O)(=O)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 440170779 NKFSUTBGIGURPL-UHFFFAOYSA-N 436.450 0.660 30 20 ICED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 443727975 AGGVOKCDJGHJRV-SNVBAGLBSA-N 431.473 0.641 30 20 ICED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1NS(C)(=O)=O 446526915 BLWWMRQBLLPQRH-UHFFFAOYSA-N 437.522 0.380 30 20 ICED CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465118630 FRBZELKXMVMYND-HNNXBMFYSA-N 428.518 0.926 30 20 ICED N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 465677269 WSAKURKJXWVFHX-UHFFFAOYSA-N 447.473 0.345 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(N)(=O)=O)s1 479850934 WKJIPIHQVOLKAK-SNVBAGLBSA-N 428.517 0.250 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 480309626 LIZPEQRGMKJNNR-ZDUSSCGKSA-N 436.515 0.913 30 20 ICED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480431214 HXQPQSGOGQOLPA-ZDUSSCGKSA-N 432.458 0.551 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 481283661 ZWDKVSIBGDPVAY-YJBOKZPZSA-N 435.550 0.284 30 20 ICED CN(CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 483786875 NHAKNHVAWVJGOQ-UHFFFAOYSA-N 443.485 0.423 30 20 ICED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 490386455 UHYODJDXFIKKBE-UHFFFAOYSA-N 435.488 0.711 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498984496 FZKYAVOXHBCTRC-LZQZEXGQSA-N 438.525 0.236 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc(OC)c2OC)c1=O 502484432 CTYJGAQESYXIKR-UHFFFAOYSA-N 428.510 0.818 30 20 ICED C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 505639835 XMDPGHWLNFWLIR-BOIQAPKLSA-N 436.468 0.721 30 20 ICED CN(CC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 506687159 LORYJNAFPROOAN-GDBMZVCRSA-N 428.536 0.013 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 506713908 ZDHRMEHRRBQEBX-ZFWWWQNUSA-N 448.480 0.656 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 512467235 AXFGWGWOEPUUOG-YPAWHYETSA-N 446.640 0.801 30 20 ICED COC(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003981 YJNXHOUXDQZGGW-YUNKPMOVSA-N 426.454 0.970 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 523565797 FKNUSZNHCULWOM-UHFFFAOYSA-N 432.499 0.017 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n(CCC#N)n1 532998662 MJHZNICGEHMLKT-UHFFFAOYSA-N 449.493 0.182 30 20 ICED CC#CCNC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 534942213 GLPITZLQANOMSG-UHFFFAOYSA-N 442.925 0.964 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2OC(F)(F)F)c(=O)n1C 551082496 CGPFLYWPGSONHV-UHFFFAOYSA-N 445.394 0.750 30 20 ICED C=CCN(CCc1ccco1)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 552699790 CVFFAFNWRDFBTC-UHFFFAOYSA-N 440.504 0.482 30 20 ICED CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 556298854 HFKUSUFFDGHJOQ-MRXNPFEDSA-N 430.490 0.893 30 20 ICED Cn1cc(C[C@H](CO)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 556808769 KYAKQLMCPAOGTG-SFHVURJKSA-N 445.545 0.660 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)CC2)nc1 557920575 XGUYFQTXOROJFW-LJQANCHMSA-N 438.532 0.899 30 20 ICED CCC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 558052855 FVHBGXMLNRGJLK-SFHVURJKSA-N 425.489 0.641 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 558483720 BXLCXOFBOIWPDY-UHFFFAOYSA-N 426.498 0.750 30 20 ICED CC[C@H](NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)N1CCOCC1 573517560 FWNQQFHLXWOHSX-IBGZPJMESA-N 428.489 0.682 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc(OC)n2)c1=O 583668659 KZCGXXUONCIUEF-AWEZNQCLSA-N 429.498 0.459 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 585684887 GWUCQWBOUCZAGF-KRWDZBQOSA-N 439.520 0.272 30 20 ICED N#CCN1CCC(NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 585774298 QPOCDZDRKWUQBI-UHFFFAOYSA-N 436.310 0.399 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)ccn1 589415627 TXYMSJCBCFVJEE-UHFFFAOYSA-N 439.472 0.837 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 603873354 VXNIPXRGKLMPHP-UHFFFAOYSA-N 432.462 0.689 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434429 DLZJXXARRGHACQ-UHFFFAOYSA-N 444.469 0.546 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 610807159 LVMMNGQGKVMYJA-HOCLYGCPSA-N 441.513 0.719 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 610808574 LCVYHGHCYSRVIS-GFCCVEGCSA-N 434.499 0.462 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)(F)F)C1=O 726403367 JWMWXMORZATUJE-FLPVWEGSSA-N 438.453 0.832 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 728572595 LARFBOBDEMAFST-UHFFFAOYSA-N 436.560 0.531 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)c1 731348305 HORLXPNAQSMSBP-UHFFFAOYSA-N 427.548 0.484 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 747735149 JSJFRNOMJHYKJQ-UHFFFAOYSA-N 441.488 0.865 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 749850783 XWNFZTSPDKGDFR-UHFFFAOYSA-N 448.364 0.777 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OC)s2)c1=O 758079032 VQNYSYJPNPEAQX-UHFFFAOYSA-N 431.539 0.659 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 760401157 TVVJPIINBNSUBE-CYBMUJFWSA-N 444.535 0.072 30 20 ICED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(F)cc4OCC#N)CC3)ncnc21 761038963 OWYUFPVARFKBKI-UHFFFAOYSA-N 438.423 0.692 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 766987063 QGGYIVVVUNJJLA-UHFFFAOYSA-N 427.460 0.837 30 20 ICED CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 771227018 FTTFCDWFCFKXHK-HKOYGPOVSA-N 444.517 0.929 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)c1cc[nH]n1 772545444 DKHDVZQZAVDVKG-UHFFFAOYSA-N 434.541 0.570 30 20 ICED COc1ccc(C(=O)NS(=O)(=O)CCCC#N)cc1S(=O)(=O)N1CCOCC1 776115129 HUNZCLROEYFGEN-UHFFFAOYSA-N 431.492 0.079 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1=O 781176707 XCHAGDNEEORZTA-UHFFFAOYSA-N 427.369 0.657 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787580519 MDQAMGNNXWMRLO-ZDUSSCGKSA-N 436.490 0.808 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)C1 800715117 KTGSJNFCKQLVEY-BYNSBNAKSA-N 429.543 0.763 30 20 ICED C#CCN=c1nc(N2CCC[C@H](C3OCCO3)C2)[nH]c(N2CCC[C@@H](C3OCCO3)C2)n1 804407436 UOEHEONYPNMUGM-CALCHBBNSA-N 444.536 0.517 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cn1C 804986766 PPHVLBUGNXBAOE-UHFFFAOYSA-N 426.495 0.007 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809502281 GVQZSRIZHZSWSA-SRABZTEZSA-N 429.429 0.135 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 811491099 ZAFIOMSFPUQNJI-UHFFFAOYSA-N 432.424 0.754 30 20 ICED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 916871282 UDCZQHQZBLJIPO-HNNXBMFYSA-N 426.495 0.554 30 20 ICED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916887362 PMGVITKUESJVAF-SFHVURJKSA-N 440.481 0.446 30 20 ICED C=CCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 917427369 VDVUPCSOCIRHTA-CQSZACIVSA-N 437.474 0.868 30 20 ICED C=CCNC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 918024407 GPDWTXIJNFMHKU-MRXNPFEDSA-N 437.541 0.790 30 20 ICED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 919550002 XPAVXXZPYWWWMK-WBMJQRKESA-N 431.474 0.517 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 920248718 FUVYONWKRVSBLC-DLBZAZTESA-N 440.543 0.406 30 20 ICED COCC(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1248733041 QJISUGAMSGNCBM-UHFFFAOYSA-N 448.545 0.713 30 20 ICED O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 1253096356 PXLNVBRLGUSGJE-QZQOTICOSA-N 426.477 0.153 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1292723962 BPPOPIIJQDJURX-UGSOOPFHSA-N 449.558 0.828 30 20 ICED CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1299313411 FGOSVZLEKPDEFK-SFHVURJKSA-N 447.540 0.734 30 20 ICED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1314634266 YKIRZIONPDDNBU-UHFFFAOYSA-N 425.493 0.766 30 20 ICED CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1315696840 MWTRQGYSFAZNBV-FXAWDEMLSA-N 431.518 0.982 30 20 ICED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1504596559 MEVZBTPOMUBAOC-KRWDZBQOSA-N 435.506 0.625 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541713041 PBIPVMIVSAYYDD-HNNXBMFYSA-N 444.583 0.248 30 20 ICED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1570154823 XMAARTYGZYTHKK-HNNXBMFYSA-N 438.506 0.589 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C(=O)NC 1593885533 NRELLAULPMRLOQ-YPMHNXCESA-N 434.950 0.182 30 20 ICED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1613085335 BIIYBCJBZMSAMO-JQFCIGGWSA-N 430.506 0.214 30 20 ICED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690327736 XCVVOAQMVLXIFA-UHFFFAOYSA-N 425.921 0.743 30 20 ICED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692670275 KVESXVDKIWMIDY-GDBMZVCRSA-N 445.549 0.798 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705747742 TWQSFJRANZBINQ-GJZGRUSLSA-N 432.978 0.799 30 20 ICED CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1=O 1710262920 CTGBVJXCQFFGAB-JOCHJYFZSA-N 440.504 0.939 30 20 ICED CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729207069 JDACEDOBTHEBCS-GOSISDBHSA-N 429.550 0.875 30 20 ICED CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1768464458 PGYHCOQIHZRYAZ-UHFFFAOYSA-N 433.520 0.809 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779318273 IODHXXFZBUPUPV-WIYYLYMNSA-N 432.452 0.292 30 20 ICED 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Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1834161049 CCWMUSXYFJDJOI-WCNTUGILSA-N 449.508 0.328 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc(O)n3)CC2)CC1 1834197066 QSIBVTIGEFDKBA-SREVYHEPSA-N 441.532 0.831 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714671 IBBJAZUPUQZUFT-VOTSOKGWSA-N 447.580 0.959 30 20 ICED Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)o1 1834715311 SFSSXZIXJJXPQS-UHFFFAOYSA-N 445.568 0.774 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)CC1 1834716627 FFTPCTGVUIGSEO-HSZRJFAPSA-N 432.613 0.982 30 20 ICED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1835531126 OITHKPZEAOQFNA-SPLOXXLWSA-N 426.477 0.099 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1835825732 ZDFJFNUFHNKDQJ-TUYSUELWSA-N 445.564 0.107 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835858300 GQLKHDNDYSZNIR-OAQYLSRUSA-N 425.445 0.679 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccccc3C)CCO2)C1 1835862326 LDLBUIONSNAHHC-XXBNENTESA-N 429.517 0.902 30 20 ICED COc1cc(C#N)cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)NC=O)CC3)CC2)c1 1836126248 ZRMBXAJTPXJMPC-MRXNPFEDSA-N 441.532 0.887 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1837398480 BMZGNEIRRWIBHP-PGRDOPGGSA-N 434.537 0.855 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1837440576 NJVKLHHTYYWPFS-SGCYSOCQSA-N 445.520 0.632 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837443705 GPHJAWZEPBSXSE-HLQTZPMBSA-N 433.484 0.762 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837512380 JKNTXQCRACHDQJ-PGRDOPGGSA-N 439.553 0.086 30 20 ICED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)COC1 1837530854 RXWBOLSIBBIKPZ-MYRHLRDYSA-N 439.509 0.398 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1837955406 PONJSKFLVIMODI-YQNSVDCASA-N 445.520 0.632 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cocn4)C3)C2)c1 1838580621 NVVNKLWFCOIEJR-NRFANRHFSA-N 426.429 0.939 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839227824 ZILYLYIDCBGDOB-IIBYNOLFSA-N 447.492 0.277 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1839228854 QYAMKHOMHAJHSS-AOMKIAJQSA-N 446.504 0.656 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840169212 RIESVSUIMCNYRH-SELNLUPBSA-N 431.533 0.647 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483298 CLIZRRJXKYMSGH-IIBYNOLFSA-N 434.493 0.465 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(n4)OCCO5)C3)C2)CCC1 1840813679 OEHBFPAFPLFCDS-JOCHJYFZSA-N 442.472 0.617 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CCC(N)=O)C3)CC1 1845137775 IOJSCYDSCIULQP-UHFFFAOYSA-N 447.536 0.996 30 20 ICED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccc(O)cc1 1846413490 HQFQYIXHPDFDOQ-WMZOPIPTSA-N 438.484 0.691 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 30938758 MLBRYOSUGGKHSN-HNNXBMFYSA-N 429.502 0.977 30 20 ICED CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C(=O)C1=O 108644164 LGQHNDJRXLRSIU-PGMHBOJBSA-N 435.506 0.129 30 20 ICED N#C[C@H]1CN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C[C@@]12C(=O)Nc1ccccc12 429225800 HRCICKASODLASV-AMXDTQDGSA-N 445.439 1.254 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 441916398 BMRXQYKENKSWTM-CQSZACIVSA-N 442.497 0.884 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 444440831 CYCRNDWVEMHMOB-UHFFFAOYSA-N 435.506 0.638 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 468446038 MRIMDRSCQGBAGI-UHFFFAOYSA-N 430.472 1.075 30 20 ICED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 481073881 MCIZZTGKUHCIQL-ZDUSSCGKSA-N 433.490 0.327 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cc(Br)c(O)nc3=O)C2=O)cc1 489259388 VDAMXUCVGNYHIL-CQSZACIVSA-N 446.261 0.500 30 20 ICED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)O1 490749826 DOZMOFIJQRYVCZ-IYBDPMFKSA-N 425.493 0.752 30 20 ICED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)CC1 491469459 CKMYGXJLSWNIRM-IBGZPJMESA-N 436.520 0.375 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508885519 QIYPNUWNFNYXKV-GJZGRUSLSA-N 427.575 0.111 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)cc1 512428627 WWCZSVRKTZWXCG-HDICACEKSA-N 444.513 0.566 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 514785693 MTQWQOYKKGCSDA-UHFFFAOYSA-N 427.442 0.527 30 20 ICED CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 516109823 VAOCJTDJKRLTBV-ROUUACIJSA-N 425.489 0.293 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cc2)c1=O 523477601 HYDSXMUOWPGTNV-INIZCTEOSA-N 429.542 0.909 30 20 ICED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 542800315 VUXVSMWIPXOIPT-KRWDZBQOSA-N 434.499 0.680 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2O1 546197599 MSHNSRBBSGUCGO-SFHVURJKSA-N 434.456 0.142 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 547415127 CVHUZIZSOSXHEX-OKILXGFUSA-N 440.460 0.976 30 20 ICED N#Cc1ncn(CCNc2cc(NCCn3cnc(C#N)n3)nc(-c3ccccc3)n2)n1 553653949 MPOXERJMXJFMCX-UHFFFAOYSA-N 426.448 1.294 30 20 ICED N#CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 553758283 CRDCAQBHTUWQAH-GFCCVEGCSA-N 443.323 0.606 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)CN1CCN(C)CC1 556353748 CMOPARLAZQUWDB-CTNGQTDRSA-N 426.565 0.223 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 556421694 ZKTYLWJHUBFWSF-VQIMIIECSA-N 431.518 0.631 30 20 ICED Cc1nc([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n[nH]1 558058390 WZELXQHDMWNHOR-MSOLQXFVSA-N 435.488 0.608 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)n2)c(F)c1 565434735 PKTQZVORBYTMBY-QGZVFWFLSA-N 440.479 1.392 30 20 ICED COc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 566827133 RBINGLUHYJQRDW-LJQANCHMSA-N 442.497 0.762 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(CCNC(=O)c3ccccc3F)CC2)nc1 578170270 XYUVWBDWLZIJSD-UHFFFAOYSA-N 445.520 0.914 30 20 ICED C[C@H](NC(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 582761961 ZDADCMSEGSESSH-HOTGVXAUSA-N 442.545 0.989 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 603733218 GYKNQNIJUBFTBP-UHFFFAOYSA-N 447.542 0.998 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 609946461 XAEXGEAONYKQHY-QGZVFWFLSA-N 445.476 0.648 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 610665177 CQVCEKAXHPVUPR-KDOFPFPSSA-N 434.497 0.635 30 20 ICED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CCN(CCC#N)CC2)CC1 611173644 FFWHJDYAQKPDTD-UHFFFAOYSA-N 426.565 0.917 30 20 ICED O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 623037900 UIPIFCFHBIJZFG-GOSISDBHSA-N 443.491 0.978 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCN(C)S(C)(=O)=O)C1=O 726890763 XRVFRIKVBKWPLC-CYBMUJFWSA-N 443.551 0.439 30 20 ICED CCCCN(C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727008218 MRVRPDKUWYPTGK-QGZVFWFLSA-N 435.502 0.647 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(=O)NC1CC1 730029965 YFQOPOOWNIEDRU-NRFANRHFSA-N 426.429 0.683 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)o1 731241653 NJSQOUKMMAEUEC-UHFFFAOYSA-N 427.435 0.040 30 20 ICED CN(CC(=O)N1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732421796 YKWRXFCHSDFYBN-FXBPSFAMSA-N 437.522 0.822 30 20 ICED CC(C)CNC(=O)N1CCC[C@H](CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 741442777 ODDZKEIEEQYOMW-CVEARBPZSA-N 426.539 0.420 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCOC 743725348 QCFJXKQLABRUIL-UHFFFAOYSA-N 430.486 0.067 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 745432521 KWPBNBJHEIETOR-UHFFFAOYSA-N 443.481 0.893 30 20 ICED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1 747784103 ULUCTWKZFXKDLD-UHFFFAOYSA-N 437.518 0.536 30 20 ICED CSc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 755911676 WIRPTIZGFGSACD-UHFFFAOYSA-N 435.328 0.906 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 757057282 CMFLQNKJNAJAEL-NPMXOYFQSA-N 445.483 0.779 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(C)c2C)c1=O 758061578 HMQHABGMKVKDBV-UHFFFAOYSA-N 434.565 0.827 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)CC1 771824788 RBLBQJROICSQBC-UHFFFAOYSA-N 432.484 0.848 30 20 ICED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 774377834 OPGKXQCZIUSNNE-LBPRGKRZSA-N 429.449 0.575 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 779027589 BJTAYQCSVGTOLY-MYVXHDQYSA-N 434.478 0.267 30 20 ICED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 779546857 MQTDMSZJFGEDQJ-VLZWWNORSA-N 449.533 0.550 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)cc1 791324955 CWXQDDKWJLMRRY-CAPFRKAQSA-N 439.519 0.738 30 20 ICED COc1cc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc(OC)c1OC 800109298 TUGIHYDRIZTNAI-HNNXBMFYSA-N 426.495 0.304 30 20 ICED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 804937654 SFUWOZPIOKZCQE-UHFFFAOYSA-N 428.532 0.913 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 806709454 YOSTVTDSMCHBMY-ZWKOTPCHSA-N 442.472 0.208 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806780498 BSUKWZZPYNCUDO-DNZUHHBVSA-N 433.490 0.275 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 855869586 PZMGLONCVRHPEO-CQSZACIVSA-N 436.486 0.540 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1 916710873 HKHLPXFFBFRIEL-CAPFRKAQSA-N 445.567 0.902 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 920249352 PPJGMXGMYMKZTE-KRWDZBQOSA-N 444.435 0.902 30 20 ICED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1315046849 MXGRETJFODRQBR-QGZVFWFLSA-N 425.493 0.890 30 20 ICED C=CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCS(=O)(=O)C1 1321961510 YOPUSRMNZHRQCW-MRXNPFEDSA-N 427.548 0.684 30 20 ICED C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 1339082897 OHMRETDDQUDEGM-QFBILLFUSA-N 426.521 0.763 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1C[C@H]1CCCCO1 1339224023 VWIWZYBMBIYAKQ-MRXNPFEDSA-N 425.514 0.581 30 20 ICED C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1360531852 WUNUYBHHDJQEFE-JKSUJKDBSA-N 426.481 0.375 30 20 ICED COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 1460113856 VHYYLTPIFKNAIJ-UHFFFAOYSA-N 438.506 0.663 30 20 ICED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1470687164 OJDRYWZUXMGYMK-INIZCTEOSA-N 428.518 0.972 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cn[nH]c2)C1 1505140480 KEJVVMFQOXFMHR-INIZCTEOSA-N 434.526 0.317 30 20 ICED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1517075036 NNQICCKQBQNUJZ-OAQYLSRUSA-N 442.545 0.980 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1541911331 OBJRARPUSIHKIC-BXTJHSDWSA-N 448.549 0.936 30 20 ICED N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)C1 1620348002 JCMAFKHGEYZFHO-IBGZPJMESA-N 447.496 0.570 30 20 ICED N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1655797745 KKSFXALTJIUMRY-ZDUSSCGKSA-N 427.426 0.566 30 20 ICED COc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1Br 1662030222 ZAIGQIDJTLOFSM-KGLIPLIRSA-N 448.339 0.667 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 1662427757 ZTCRLCWPWOGEEG-KGLIPLIRSA-N 435.321 0.897 30 20 ICED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1693773258 IMRAJUBAZMHQEG-OAHLLOKOSA-N 437.504 0.766 30 20 ICED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1723643932 PFOFSKDTNBCMCG-QFIPXVFZSA-N 441.536 0.756 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1723956131 QQRZWNWPVLJTHE-JKSUJKDBSA-N 439.586 0.882 30 20 ICED C[C@@H]1C[C@H](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCO1 1742942898 IUMAEQYORXOZMB-FPCVCCKLSA-N 426.543 0.822 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1766262331 HIXQLOLMXPUVPU-HNNXBMFYSA-N 425.493 0.922 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779017285 JWGCNHWWQNVIRJ-UKKLRFBMSA-N 441.492 0.350 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181740 NVTPKSAYASRJEU-LIRRHRJNSA-N 437.447 0.636 30 20 ICED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1779189064 PMJRFQOQPIDVLX-CPJSRVTESA-N 449.507 0.939 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1780803204 AKVUWFQSXVTQAP-WAWZGNHOSA-N 435.481 0.816 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OC)nc1)CCO2 1781268328 NTBLKNKZZCJYMP-JOCHJYFZSA-N 445.472 0.821 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781341823 VRARLJUGIVNALZ-CWIOURORSA-N 426.311 0.602 30 20 ICED COC(=O)N(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)Cc1ccccc1 1783567103 GRWOSIIISUCULO-JOCHJYFZSA-N 443.456 0.173 30 20 ICED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783893411 HPQQAKZLMBNRAO-BIENJYKASA-N 431.555 0.674 30 20 ICED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784450764 HAXQMJSRYHZEKY-DAOKTODISA-N 425.507 0.113 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784778969 HNGAVCKQIXTCEA-VGSWGCGISA-N 436.553 0.847 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1785382582 XROMQGPYGGVNQK-KSFYIVLOSA-N 426.473 0.293 30 20 ICED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260261 OUNAVWBMXPVNAW-BXWFABGCSA-N 427.505 0.413 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(N5CCOCC5)n4)C[C@@H]32)CC1 1786694705 GDVVCQJRGCWYIW-LNLFQRSKSA-N 439.516 0.815 30 20 ICED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c1=O 1788602209 ORWQMFHWWCQFEC-OXTUAAPVSA-N 429.521 0.450 30 20 ICED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)CCC1=O 1788652850 OGOOFDXZFOJPEP-PPYUBFJKSA-N 449.508 0.103 30 20 ICED Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)cs1 1788658378 QKFAWRUKNLMXLU-ACEROAHNSA-N 437.522 0.848 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Br)cn3)[C@H]2C1 1788833055 IRXYMUZULZCOBB-WHOFXGATSA-N 436.262 0.525 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790174094 VPTPZAVDIYMETO-WNZSCWOMSA-N 445.582 0.764 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145365 KMPICZYMQYXMJD-HUUJSLGLSA-N 442.516 0.831 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1793594671 DCJPFGYWXSHSHA-DFGXFYAUSA-N 448.524 0.337 30 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COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513312574 RCTLGOBGKMKPHS-QGZVFWFLSA-N 429.408 0.594 30 20 ICED COCCN(C(=O)CN1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 514001771 NSCAKVSHQKREMF-KRWDZBQOSA-N 438.525 0.481 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C1CCN(C)CC1 518714619 VRIFQHCIPSVEDH-CQSZACIVSA-N 446.598 0.892 30 20 ICED C=CCNC(=O)NC(=O)CN1CCCN(CC(=O)NC(=O)NCC=C)c2ccccc21 533517770 MLDLZYWUSQAEFV-UHFFFAOYSA-N 428.493 0.727 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 538273019 CNXAFGYVODTMBF-SFTDATJTSA-N 443.523 0.858 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 550203057 XIKLRWFZWRCXGT-CALCHBBNSA-N 428.537 0.606 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O 551091058 YSUXHTRLXVYAJB-NRFANRHFSA-N 441.576 0.556 30 20 ICED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(N)=O)cc1 552006930 BTKFERIJIMLHFM-UHFFFAOYSA-N 449.536 0.776 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 554171334 KNVLQQKAGQZPRC-KRWDZBQOSA-N 436.447 0.663 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 576072529 MDFHSLWRDRKHIS-MSOLQXFVSA-N 437.504 0.092 30 20 ICED CCCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 588866058 IXJVILAUQSGZMO-GOSISDBHSA-N 425.489 0.641 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608910986 AOGMVIXNASNFGD-UHFFFAOYSA-N 428.470 0.812 30 20 ICED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1 609342109 NSXAGHUNYNEWQD-UHFFFAOYSA-N 429.546 0.847 30 20 ICED CN(CC(=O)N1CCC[C@H]1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 609551410 CWNZEGRNSOHSGB-KRWDZBQOSA-N 436.559 0.745 30 20 ICED C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN1CCOCC1 610027174 VTAONKIMRKNANJ-QGZVFWFLSA-N 435.550 0.542 30 20 ICED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 616694963 QVWZRZMIRKDOAI-HNNXBMFYSA-N 441.531 0.291 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O 725765480 BPATXDDUFGGHQO-QFIPXVFZSA-N 433.472 0.599 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 726377354 VCCFLBWZRDUXEQ-UHFFFAOYSA-N 438.469 0.547 30 20 ICED CCOc1ccccc1[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(C)=O 732910253 NGWRRUPEXBDWGR-DLBZAZTESA-N 435.502 0.618 30 20 ICED COCC(=O)N[C@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C 754787323 VYJWHMTUNQXWQF-AWEZNQCLSA-N 432.296 0.913 30 20 ICED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCOC(C)C)C1=O 758054766 NQSZHTZRXWUPNU-GALDBLJUSA-N 442.563 0.695 30 20 ICED Cc1cc(C)nc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 764748192 IPCJJUMQHXEHJB-UHFFFAOYSA-N 428.518 0.871 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 767963563 KSGQEQCKFOAPKM-SFHVURJKSA-N 436.553 0.686 30 20 ICED COC(=O)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C(=O)OC)C1 781035511 BVNNCYGNMUXGBW-TZMCWYRMSA-N 437.474 0.068 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 783455143 MZBSMUCWSXKESM-QGZVFWFLSA-N 446.463 0.909 30 20 ICED CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785084574 PBMPLSONZDFOCR-XLNRJJMWSA-N 447.521 0.615 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 786563304 UKEUZDCAQRBKPE-HNNXBMFYSA-N 435.408 0.863 30 20 ICED C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCN(c2ccccc2)CC1 787778256 OCGWLBPOWJQGID-GOSISDBHSA-N 435.532 0.808 30 20 ICED COC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n(C)c1C 800807783 GGRANZQCHFGFIA-UHFFFAOYSA-N 434.522 0.897 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)C1 807109240 DJBXTHCSWDXCHX-KFWWJZLASA-N 429.543 0.811 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 812509396 NMZZZSONTAJPOG-OAHLLOKOSA-N 435.543 0.896 30 20 ICED C#CCN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 818602751 BVCIKLHXNMUGBG-UHFFFAOYSA-N 439.534 0.928 30 20 ICED CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1294839438 TYHMLRKGLAIEJC-RDTXWAMCSA-N 425.559 0.935 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1299301364 MSGNSFUOWCNOAJ-CQSZACIVSA-N 431.522 0.423 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1359467629 VTFGNPZSYHCLDY-MCIONIFRSA-N 432.572 0.451 30 20 ICED COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1504110031 NPVWWBJMDYNFBF-LRDDRELGSA-N 438.485 0.813 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1539594388 JNINUWRZXMZMGT-GFCCVEGCSA-N 426.319 0.989 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1548316806 VDEAMUBZRSTZTH-MRXNPFEDSA-N 429.506 0.465 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1691003691 KMWYKFDWOODERJ-IRXDYDNUSA-N 439.586 0.693 30 20 ICED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1=O 1729602745 IIMKNPOWGVXMFY-UHFFFAOYSA-N 435.492 0.768 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(F)cn2)C1 1750210872 XNCTXHTXIGBLOQ-QGZVFWFLSA-N 449.512 0.933 30 20 ICED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1751004120 RWJLLIYWGAGWOW-KRWDZBQOSA-N 429.506 0.873 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1761238352 PPCNGEYJFAJSEU-QGZVFWFLSA-N 431.541 0.790 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1769368751 NPVBYKSXEQXNIN-UHFFFAOYSA-N 431.522 0.471 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)c1 1771343678 HGCDBFXNFYKMSY-MOPGFXCFSA-N 435.481 0.942 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1779310893 JDEKADNUTSDWQZ-NFBKMPQASA-N 442.516 0.472 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1781698263 QNNWNALAFPLYBO-SFHVURJKSA-N 437.246 0.686 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c3nncn3c1)C2 1782010014 ABFGDJVEYNGCCR-FOIQADDNSA-N 445.863 0.598 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCc3ccccc3)C2)C1 1783686320 PCXHLCXLEAQWLT-QHCPKHFHSA-N 430.501 0.700 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557834 GGBOFOAJIYVPLK-LIBWCZBRSA-N 431.493 0.768 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c(C#N)c1 1784852775 FVJBMXRHCWJBGA-WKHFQEMYSA-N 425.485 0.832 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1)n1cnnn1 1787513657 NQFNZUZQVVAGAL-OPEYRRHPSA-N 444.517 0.714 30 20 ICED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1)N1CCN(C)CC1 1788679681 HXTSGUCPNIZZCR-FQGFUHKGSA-N 445.564 0.314 30 20 ICED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1788735707 CMYBBRUKUWDSJG-DZKIICNBSA-N 443.508 0.398 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)ncn3)[C@H]2C1 1789056100 YDBSEMUMWXGDLU-MYVDIJBLSA-N 433.896 0.582 30 20 ICED Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccc(Cl)cc2)n1 1792836446 GJEOLMHPUYPOFE-YVWYUNDQSA-N 442.907 0.614 30 20 ICED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1793570922 WEPAAUKTVKGELJ-LLLHUVSDSA-N 430.530 0.568 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)cc1 1793957372 AKCOPKKHFZLWFJ-CEQLMSFQSA-N 433.468 0.586 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1C 1794834662 AWZGDGUBFWKFEP-DFGXFYAUSA-N 445.520 0.540 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cnccc2n1 1796891621 LUBMYDZLXKSNPA-GWUNTCDZSA-N 435.484 0.691 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538813 YQAVIDKWUUZLOU-VWPFQQQWSA-N 427.457 0.616 30 20 ICED CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)C(C)C 1797595120 LPTBNHHEWDXPGX-YHELAOLJSA-N 434.533 0.862 30 20 ICED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1Cl 1798346663 LFODMBIGDYIZGT-DNNVRAESSA-N 439.900 0.806 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)cc1-n1nccn1 1798628600 WMGACMLFRDEQNU-UGNRZPKXSA-N 437.500 0.817 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922098 DCPZGXILRJKZIG-IYWMVGAKSA-N 443.456 0.256 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1799247619 BIOKEQPUWIGLFG-KRXQYRFLSA-N 437.493 0.056 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(OC)c1F)C2 1799305186 UJRNSHBEVSEARC-ZSBFGKGUSA-N 435.452 0.942 30 20 ICED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc(Cl)cc1[N+](=O)[O-] 1799766020 XUUKVTOHGDDXIR-KSPBDQMDSA-N 435.820 0.848 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281278 CNFBUQANKFPWME-ZSBFGKGUSA-N 436.490 0.265 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1800545857 KFEUDFUPPKQDCB-XJFOESAGSA-N 433.452 0.631 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOCCOC)C2 1801002001 HAGCQMBVFWRJFV-RMFSNUHRSA-N 428.526 0.238 30 20 ICED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801366881 XTKNRWYAVBGQLU-XBNYFLSISA-N 446.504 0.968 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803643256 IFUBTCDHVDCBNI-IXDOHACOSA-N 428.493 0.478 30 20 ICED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1804126797 IJBAOLLTERISBT-FZKCQIBNSA-N 425.445 0.173 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807944172 NQVZCCYMUTURDS-XJKSGUPXSA-N 435.448 0.077 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@@H]2c2cccnc2)c1 1810150658 FKFUMUZKUQSKTA-KXBFYZLASA-N 433.476 0.934 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811540270 DBPKHPHNKZRIRZ-HOJAQTOUSA-N 438.488 0.752 30 20 ICED CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819898146 HJEPLCUBRHHVJG-RDSFJTRPSA-N 444.535 0.629 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)N2CCOCC2)CC3)c1 1821604701 VWVUMZZBEHHYBY-XIKOKIGWSA-N 430.490 0.219 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825199972 UQZKMDRQAKNQCT-KBPBESRZSA-N 430.530 0.890 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826024218 VJACGZKLZYRNGD-AXFHLTTASA-N 434.547 0.982 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3cnnn3)sc2C1 1826966201 LXORVQLQNCZXAD-MVSYMCDOSA-N 430.494 0.161 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826966205 LXORVQLQNCZXAD-UXFRKABBSA-N 430.494 0.161 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1830056348 VADBKFYCYNQJLA-QFIPXVFZSA-N 441.488 0.586 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465631 OOJRHHGFWYPHBO-OPAMFIHVSA-N 447.919 0.659 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830773148 ROJZKNHFUPQGJI-PGRDOPGGSA-N 437.537 0.437 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1831397412 XLGJJIIHHNSARR-BTYIYWSLSA-N 433.461 0.346 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1831401396 BEFXALJILJDLEO-ZHRMCQFGSA-N 442.512 0.875 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832046024 GJFLCRTUKKOVIV-KSFYIVLOSA-N 448.520 0.756 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832684340 REKHHLIUAYRSDJ-QVKFZJNVSA-N 436.509 0.033 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1c(=O)oc3ccccc31)CCO2 1832760085 YNKCYDFVSXRFDK-HSZRJFAPSA-N 441.484 0.854 30 20 ICED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833291367 UXQNCRWHHOCIAX-DEOSSOPVSA-N 448.608 0.977 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304415 GPVLSKCGINLFAL-OXQOHEQNSA-N 436.534 0.205 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)CCC)CC2)CC1 1833468606 VAAJXGPZCPINOV-ZWKOTPCHSA-N 434.581 0.901 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)cn1 1834530530 FYTZMEXGDWBGSL-MGPUTAFESA-N 435.481 0.356 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834775072 OCYMYJQNMNVVPV-MNQSQUENSA-N 441.484 0.942 30 20 ICED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)COC(=O)C(F)(F)F)CC2)CC1 1835687820 OPXYGDHIVZMBID-LLVKDONJSA-N 425.473 0.982 30 20 ICED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CC)NC)CCO3)c(O)n1 1835905840 WZPHQIHPJIGYDO-AUSIDOKSSA-N 446.548 0.974 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836147069 KLSKJXDPYXMSHS-HXUWFJFHSA-N 448.600 0.181 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1837396400 CMVAMMWYWWRXDZ-SFYKDHMMSA-N 446.548 0.501 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1837398519 CSFPQJWAWBTZOT-IERDGZPVSA-N 434.493 0.128 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837401044 STNWNJQOEAIJDO-OPAMFIHVSA-N 447.488 0.453 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837477946 SYJFGWAWRAPXLJ-AVRDEDQJSA-N 447.536 0.716 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837797475 OLAQCAJVUJKFND-ACJLOTCBSA-N 438.441 0.189 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838036774 HLOCISJUWXEZSS-MGPUTAFESA-N 442.463 0.921 30 20 ICED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1)N1CCN(C)CC1 1838627338 UNHMFRFOEAAGJK-DLBZAZTESA-N 426.627 0.939 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]nc2C)CCO3)c1 1838682944 YRKQFMGYYIMSTE-QFIPXVFZSA-N 439.472 0.982 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839104397 QXNBRICESDKVOG-IMSXRSKXSA-N 448.608 0.847 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186395 QIXOBJRLOFWXPG-SIKLNZKXSA-N 432.496 0.694 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1839223345 SQQVEPIDAWVXIQ-WIYYLYMNSA-N 435.525 0.757 30 20 ICED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223399 USQUSLLRHJRGMQ-OXJNMPFZSA-N 426.514 0.112 30 20 ICED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839240492 FCBIVUQVGDXHPJ-JBMWNJKUSA-N 443.504 0.738 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839412949 UZNYQHGTTZUWIR-QVKFZJNVSA-N 449.460 0.962 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1839420076 LZWSONNHGJVPKT-OAQYLSRUSA-N 425.420 0.871 30 20 ICED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839715367 WAXCJPYWIZOSPD-LEAYQFNCSA-N 449.508 0.177 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1839890157 KOJHPYXFTWOCRK-YOEHRIQHSA-N 436.477 0.231 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1841598150 QDMUPUJFQMWWGE-AOIWGVFYSA-N 427.501 0.408 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842189440 FVKYMYLDZNEFRQ-UHFFFAOYSA-N 435.502 0.812 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844287329 PNUHNDFPMKQBDC-LJQANCHMSA-N 445.447 0.938 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 25535181 OBKMKPHBBCJRQW-SFHVURJKSA-N 428.470 0.719 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CCO1 409580537 GMXGTYUHXQQBKN-HNNXBMFYSA-N 432.424 0.932 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 438750361 AVVNGRZCCZJREW-UHFFFAOYSA-N 435.550 0.554 30 20 ICED CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCCN=c2ccc(-c3ccccc3)n[nH]2)[nH]1 439031706 COYDPGBRSTZNLR-UHFFFAOYSA-N 432.488 0.977 30 20 ICED CCN(C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1)C(=O)Cn1cnc(C#N)n1 441424714 QPOCWGHGRBUWBE-MRXNPFEDSA-N 432.448 0.019 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)nc2)CC1 441430680 BLGZQYBHWSJHST-UHFFFAOYSA-N 428.474 0.268 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 460588829 UUYFVBRZGJATCL-UHFFFAOYSA-N 441.455 1.001 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 467681615 SAQPWIZXDXGEGT-CQSZACIVSA-N 425.467 0.290 30 20 ICED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475246373 WPLDOXYETUGMTR-UHFFFAOYSA-N 425.489 0.938 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCCC(=O)OC 477018378 JLEJCEGNYXVRMB-UHFFFAOYSA-N 449.554 0.962 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCc3nc(O)n[nH]3)nnc12 478806238 OFZMRYVZBZJAKG-UHFFFAOYSA-N 440.489 0.895 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 480807212 VXANHTPABDGACF-DZGCQCFKSA-N 428.536 0.013 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480927553 ADBVHYHBOCXDNH-AWEZNQCLSA-N 443.510 0.201 30 20 ICED Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)n(C)n1 482413245 MDGOWLSTPMLMFO-XJKSGUPXSA-N 430.490 0.189 30 20 ICED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 484090656 DTOXBRWXYRYPRD-CYBMUJFWSA-N 438.444 0.819 30 20 ICED CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487504746 PWVJRIDIKGXBPJ-FXAWDEMLSA-N 440.548 0.901 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 490737416 YWXUNUJHNVEULQ-UHFFFAOYSA-N 441.455 0.752 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CCN4CCCC4)CC3)n2)cc1 490750195 GXLXUDBPMDVFKC-UHFFFAOYSA-N 436.520 0.377 30 20 ICED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)NC(=O)[C@H]3C1)CCCC2 492661844 TTYZDGFIJZAOBM-KBXCAEBGSA-N 440.504 0.592 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O 499358050 GGHNYIUNVHUFAH-GFCCVEGCSA-N 425.488 0.241 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1=O 499422318 ZJNMWICCJUPRIW-SNVBAGLBSA-N 430.244 0.826 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c(F)c1 504915078 QQFBQBSXUYXWOH-JKSUJKDBSA-N 434.493 0.382 30 20 ICED Cc1nsc(N2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 516516628 ATYNVHFMHUOZSJ-UHFFFAOYSA-N 437.489 0.976 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 518010916 WAZOGDURMAQKIK-GFCCVEGCSA-N 429.458 0.548 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1=O 523382212 RAMFZDRXMRBARO-INIZCTEOSA-N 428.445 0.188 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523735668 XOZIGTPXGPZFMY-UHFFFAOYSA-N 428.470 0.636 30 20 ICED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n(CCC#N)n1 526646723 BKHAZIOGKRFGCU-GOSISDBHSA-N 438.488 0.630 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccc2c(c1)OCO2 531909979 BXKLXSMYJFBTPQ-UHFFFAOYSA-N 441.490 0.947 30 20 ICED CN(CC(=O)NCc1ccc2c(c1)CCS2(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 532061402 GDICWMPDQNHDMZ-UHFFFAOYSA-N 433.511 0.825 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 532352955 CSUFGORTXAAWGR-UHFFFAOYSA-N 434.880 0.313 30 20 ICED COC(=O)C1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)CC1 537704029 YPSGNNJTMJSTIJ-UHFFFAOYSA-N 436.486 0.864 30 20 ICED CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548042609 LXIBUHBUJASOHS-UHFFFAOYSA-N 425.492 0.712 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1=O 556196540 BUUACCJNFGLFOZ-LJQANCHMSA-N 431.512 0.309 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1Cl 573783575 TWWPPGLGJDLBDE-UHFFFAOYSA-N 444.944 0.919 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 576506067 LJZLAXICIPAHSB-MRXNPFEDSA-N 439.586 0.209 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)c1C#N 578287616 PWJYLQACJFCVFQ-UHFFFAOYSA-N 436.501 1.250 30 20 ICED CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 580101639 BOTCSKWLXYOVAI-AWEZNQCLSA-N 430.490 0.893 30 20 ICED COc1cc(OC)cc(N2CC[C@H](CNC(=O)C(=O)NC3CCN(CC#N)CC3)C2)c1 588124845 MDZAZJHESQWUNT-MRXNPFEDSA-N 429.521 0.750 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588823376 VBUYGPQDALYDFJ-MOPGFXCFSA-N 449.515 0.294 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1Cl 618093547 MYEVMWJOVFYZJM-UHFFFAOYSA-N 444.944 0.742 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2cccc(OC)c2)CC1 728536390 YPTBIGYHHKHAMH-UHFFFAOYSA-N 442.545 0.570 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 728572529 ISABKYTZYRVRRN-UHFFFAOYSA-N 428.924 0.890 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc1 729008975 MDQNXQZHQPYGCE-UHFFFAOYSA-N 432.458 0.358 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3ccccn3)c2=O)cn1 732563477 ZWEKBFWKHUQYMK-UHFFFAOYSA-N 436.541 0.792 30 20 ICED Cc1nc2cc(O)nn2c(C)c1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733983421 OCMFSNYBYBBKSN-UHFFFAOYSA-N 428.474 0.797 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O 748119441 CBODPGIEZXSDCI-OAHLLOKOSA-N 431.401 0.329 30 20 ICED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3c(N)n(C)c(=O)n(C)c3=O)nc2)C1 749811566 CBRZKVGSADNKOU-CHWSQXEVSA-N 449.537 0.174 30 20 ICED CC(C)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2nc[nH]n2)no1 752331754 AIKCQDKZGBCOOW-CYBMUJFWSA-N 430.450 0.407 30 20 ICED CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2S1(=O)=O 757152714 UXPICQBKSAVIKL-ZDUSSCGKSA-N 440.485 0.864 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758067431 GGPUUVGRQAXXAS-UHFFFAOYSA-N 440.569 0.883 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 758327533 WLTVQNAYSJHXRH-JQWIXIFHSA-N 429.524 0.954 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc1cccs1 761130354 UAGVTLKHMJAWEH-UHFFFAOYSA-N 436.471 0.467 30 20 ICED CN(C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1)c1ccccc1 765146525 VHXAGYXVOJJQLU-UHFFFAOYSA-N 446.492 0.846 30 20 ICED C#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 767309239 PULKEAPXPBVCIR-UHFFFAOYSA-N 425.454 0.467 30 20 ICED Cc1cc(Cl)cc2c1OCCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891414 NPZDKIBQFNXUFO-UHFFFAOYSA-N 426.882 0.901 30 20 ICED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 782988130 XBFCEVHWYBPCBS-UHFFFAOYSA-N 430.595 0.109 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783357553 IBFBMIBQQLWMBJ-HNNXBMFYSA-N 427.436 0.817 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c1 785290893 OECGCZOBQLJNOS-WKRZDEFASA-N 449.533 0.565 30 20 ICED C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787937 RPTDLISEAALCTM-MRXNPFEDSA-N 441.536 0.073 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800777755 VDSDMMSRDZSOMJ-MRXNPFEDSA-N 430.575 0.897 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@]3(C#N)CCSC3)ccc2F)CC1 800917854 XEENWCOAUGZRRS-GOSISDBHSA-N 440.522 0.808 30 20 ICED C#Cc1cncc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 806969763 FTEZYIAEQSRTCX-UHFFFAOYSA-N 434.518 0.770 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1C#N 809502382 LXPCCCJPBAHWCN-INIZCTEOSA-N 427.505 0.338 30 20 ICED N#CC1(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCOCC1 1220747652 KAWMIMJHSPZEFR-UHFFFAOYSA-N 436.534 0.968 30 20 ICED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)CCO1 1316540790 OFYIAIRRUXHREK-BFHYXJOUSA-N 429.593 0.758 30 20 ICED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)ccc1F 1326874183 RDQREDXDHQOKFA-ZDUSSCGKSA-N 445.472 0.042 30 20 ICED CN1CCN(C(=O)C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 1337827350 LAQFIYOVILTWNA-UHFFFAOYSA-N 432.546 0.486 30 20 ICED Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)n1C1CC1 1459218221 MMYAIMUQNTYJLE-UHFFFAOYSA-N 431.474 0.414 30 20 ICED Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1492606008 RXFMCZABYJXOQC-YOEHRIQHSA-N 433.538 0.959 30 20 ICED COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619881524 XFJCFTXCKWQSIN-IBGZPJMESA-N 440.552 0.953 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 1641699177 UHRQWWGIBFDORF-QGZVFWFLSA-N 440.891 0.929 30 20 ICED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1697914562 XIMPHQVAEGUQGQ-RBUKOAKNSA-N 429.477 0.996 30 20 ICED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1710875189 ONYBVGUPPAIACN-INIZCTEOSA-N 432.506 0.203 30 20 ICED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1767943140 SQDGDUDJCWGQSK-GOSISDBHSA-N 439.520 0.904 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1779062725 GLPUAZGPEFVMHF-QHCPKHFHSA-N 437.500 0.871 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442723 AZMXIKHPBFDZNY-XRWLCIBQSA-N 447.536 0.920 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@H]4CCC(=O)N4C2)CCO3)c1 1780333810 GJSXCVJKHOUBAZ-JLHGSKIFSA-N 425.489 0.731 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5c[nH]c(=O)cn5)CCO4)C3)c2c1 1782196817 LFBCUNWBTVOHDB-NRFANRHFSA-N 433.428 0.275 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782467346 JHOCBTQQQVNTMP-TXTKFYIRSA-N 441.532 0.384 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4)C[C@@H]21 1784482591 NSIKDPSEGICBEH-CBVHJVASSA-N 425.485 0.813 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1785078795 NFPKGUCXBAXKNJ-NIJIEXERSA-N 442.516 0.908 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1785576110 HWHDBWSZQIVNBF-VGSWGCGISA-N 445.520 0.699 30 20 ICED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1787512409 JNIMYNNFLMDVOE-NKCWYTJXSA-N 430.490 0.153 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788631597 QDFICHVNPSRREB-SZMVWBNQSA-N 443.500 0.785 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3OC)C[C@@H]21 1789890101 DHKQZLNKQWUPPF-JYJNAYRXSA-N 432.477 0.588 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)c1 1792239662 BPUBEYBKFDNIQZ-YDHLFZDLSA-N 447.542 0.340 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCN(C)C3)C2 1792569127 MMKDDZNDDZAGLU-AXLUSTFKSA-N 440.548 0.829 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)C3)c(O)n1 1794490464 JDWIAVYDHQHGRF-JNNRSPCRSA-N 430.505 0.634 30 20 ICED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)c(O)n1 1794823898 UZEKHOJRXUZWEH-KYHPRHEASA-N 429.521 0.750 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1795598383 DTPGRKALVYYCLQ-DMUMMCEESA-N 428.537 0.343 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795895053 NDSINISGSUDRBG-STEXWYFWSA-N 449.548 0.750 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796104740 KYWYUBSFOWOMEC-JNNRSPCRSA-N 428.489 0.761 30 20 ICED C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818679 YQFKNGTWWHRCQY-RUVFXVMISA-N 433.509 0.638 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cc(O)ccc1O 1799793637 LSPLKOIBICFDAI-BMTUANAVSA-N 433.461 0.830 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989816 KLRAMQGIMUOUHD-VPTLXERWSA-N 447.513 0.433 30 20 ICED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)CC1 1801994669 ZWKQNIZQZBRVRP-HGKCTWBKSA-N 427.457 0.480 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1803547353 JIDWMBJKCZSREB-SIIHOXLZSA-N 425.445 0.641 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@@H]2c2cccnc2)CC1 1806078786 CSSDUGPMMYGSCW-QAPCUYQASA-N 433.472 0.645 30 20 ICED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2c2cccnc2)CC1 1806847223 LMTTVEGAURRQQQ-YOEHRIQHSA-N 432.444 0.436 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@H]1c1cccnc1 1813338984 YDQZVPJEIGVOCP-IVJVFBROSA-N 444.561 0.876 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](COC(C)=O)OC(C)=O)n[nH]1 1819429422 KXGOHOMPLWNGLB-BVGQSLNGSA-N 448.476 0.935 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826936707 YCKZTCWBXIXLLF-ZWKOTPCHSA-N 436.553 0.708 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398483 CJMLNIGBAAEXED-YOEHRIQHSA-N 441.492 0.084 30 20 ICED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1828089018 DBBUCUUXSNWGFG-JTQLQIEISA-N 433.515 0.934 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828957218 IWUKDSDZGKQCOQ-ZWKOTPCHSA-N 436.461 0.189 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C3)C2)C1 1829663066 GFTILAJDHUHDOJ-INIZCTEOSA-N 438.374 0.764 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830465550 KPKMPXITUVQFCV-NRFANRHFSA-N 443.891 0.590 30 20 ICED COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830479215 FYYGBQYNKNSLGS-JJTSJLALSA-N 427.498 0.398 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830707227 OMZVYFTYLZXJOE-FVJLSDCUSA-N 440.562 0.951 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830903242 IQMLZYCZQKLYRS-FTPWQXHLSA-N 447.444 0.696 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1830953536 VHBMLNDUZAYPDN-ZZAWEDPDSA-N 446.552 0.199 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1831391981 HJZOQXVBVCSKCY-OPAMFIHVSA-N 430.505 0.017 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831483082 JXWIFYMTRCEBSJ-PKOBYXMFSA-N 431.624 0.446 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831493236 QXGHRGWGLBGYNZ-PZJWPPBQSA-N 447.561 0.683 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1831496632 ZQSCOFIOZPDQJV-FXAWDEMLSA-N 440.518 0.828 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1832455998 HMKADNMDVCCXDF-DYESRHJHSA-N 435.546 0.785 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497568 NRLAJFUPHPMQJA-JLTOFOAXSA-N 449.464 0.046 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n[nH]1 1833825042 ZQFWLGXUXGBGNH-MGPUTAFESA-N 435.481 0.483 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)o1 1833900991 KIODLQGLUOZWOY-JOCHJYFZSA-N 439.472 0.996 30 20 ICED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834329346 HIARGJDBXWTBTR-QFIPXVFZSA-N 449.471 0.552 30 20 ICED Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834367274 QIZQUPQMVIRXLB-QFIPXVFZSA-N 431.489 0.752 30 20 ICED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1834599843 SFCTXWRMZPNNMP-CZUORRHYSA-N 446.577 0.664 30 20 ICED COc1nccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1F 1834907945 GKFLZUGCQGXOFV-UHFFFAOYSA-N 432.452 0.503 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)[S@](=O)c1ccccc1 1835346924 ZSOKIIHKUTWNBU-NARROWTCSA-N 445.541 0.943 30 20 ICED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1837070609 KNXHSPQTGKYPDK-QGZVFWFLSA-N 427.567 0.967 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837399143 NJWICMPCQDBWJE-CVDCTZTESA-N 446.548 0.863 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837399451 UESJFZJFLNOSRZ-PGRDOPGGSA-N 443.504 0.372 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837527413 MWWIORIXEIAPKX-AGJWPYNWSA-N 438.506 0.742 30 20 ICED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1Cl 1838309009 YSSVOGXYDYFQIU-LJQANCHMSA-N 432.868 0.657 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)c1 1838732473 SWYKKVBGVNMQEY-FQEVSTJZSA-N 444.423 0.366 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1c(O)nc3ccccc31)CCO2 1839040755 OQFCXJDAUFLAEH-QFIPXVFZSA-N 426.473 0.612 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839315989 WCPTVVQXMCKFKY-QFIPXVFZSA-N 448.495 0.883 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839642671 XDELTDKAQLPXLN-GAJHUEQPSA-N 444.532 0.977 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839654197 SMWFXRLKVWOWLE-DYESRHJHSA-N 438.594 0.695 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839733388 GMRYAEHWIZEZJG-NYDSKATKSA-N 427.501 0.518 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840067141 WPILLUFLJMTNCF-XILVHTRDSA-N 438.456 0.753 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)C1 1840144781 LHQUSIZXKAJSKP-YYDVJCTNSA-N 432.517 0.836 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840162094 LUGKSTIMHYVRMV-VLIAUNLRSA-N 431.518 0.860 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1O 1840163968 URKSAHAKWWCXBW-RBZFPXEDSA-N 437.518 0.739 30 20 ICED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)C1 1840571349 OWCFGTFNVFMTML-OAQYLSRUSA-N 432.908 0.843 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1840715615 HZGIFADCLMTTGD-ZPDADZDASA-N 442.516 0.106 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1F 1840772486 AHCYIBCGCZQOFC-IBGZPJMESA-N 439.465 0.213 30 20 ICED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819222 WTTKTNDAEISDMQ-QFIPXVFZSA-N 430.505 0.345 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)C[C@@H]2C1 1846107838 QASUOJFDNKZBKY-IVZQSRNASA-N 431.489 0.925 30 20 ICED CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 16775804 GVOCGFUUISPDCF-OAHLLOKOSA-N 425.536 0.181 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 409565721 OMJQPPJKPVTXAF-ZDUSSCGKSA-N 426.524 0.205 30 20 ICED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1OCC(F)(F)F 437358424 XSVYNVXIRUKRNS-GFCCVEGCSA-N 434.396 0.717 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(F)cc1C#N 443274918 XGPBJLUBGNNHDH-UHFFFAOYSA-N 427.479 0.789 30 20 ICED Cc1nc(=NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)n(-c2ccc(C#N)cc2)[nH]1 443419471 VQYWBOLGBXDXOE-UHFFFAOYSA-N 438.429 0.018 30 20 ICED CN(C)CCn1nnnc1SCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 444405842 CBPWWEYXZYVCQU-QGZVFWFLSA-N 432.529 0.875 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 460714664 CUZKTECRANYXLF-WOJBJXKFSA-N 445.483 0.829 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 468941431 JSHVSTGZBJMWHV-ZBFHGGJFSA-N 440.547 0.252 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472867079 BLZKZMNWOSHJLF-UHFFFAOYSA-N 444.517 0.599 30 20 ICED CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 478135927 PSABNLUZZCZDPS-JKSUJKDBSA-N 440.460 0.955 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccnn3C)c2=O)cn1 478847865 KLVALNJQQKDTSH-AWEZNQCLSA-N 438.513 0.348 30 20 ICED C=CCOC[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OC 481566884 BVJBSFQMXBOFHP-OAHLLOKOSA-N 438.499 0.998 30 20 ICED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(O)nc(O)c4c3)C2=O)cc1 486650667 LBRYKTAMKHZTAR-KRWDZBQOSA-N 439.453 0.992 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1Br 487872559 DBJKEAPWNDNSSD-UHFFFAOYSA-N 440.283 0.977 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1 488646285 NYXYXAYFGLHELV-KRWDZBQOSA-N 441.469 0.061 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N[C@H]1CCOc2ccccc21 506198238 AIQIDAZSEZENDI-KSSFIOAISA-N 442.497 0.981 30 20 ICED Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)N(C)C 516388601 XLNVZBBZWZANQH-UHFFFAOYSA-N 447.521 0.452 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)C1=O 522242655 LMXNRXMYEWSLLH-UHFFFAOYSA-N 428.445 0.849 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 525603343 QHMSGVPEEQCVKP-UHFFFAOYSA-N 434.478 0.090 30 20 ICED CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 538391145 LRNXVWHHGKFGLT-XLIONFOSSA-N 433.578 0.930 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 546594910 DGKVWYMNHAHWOJ-HNNXBMFYSA-N 434.435 1.315 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 547962550 LXAICDVNGSANQL-SNVBAGLBSA-N 435.864 0.296 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552580725 ADEKRYRUDDCKKF-XLIONFOSSA-N 429.521 0.334 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 553330131 XWVBZEWAIXYRKP-UHFFFAOYSA-N 437.548 0.623 30 20 ICED COC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(Br)c3C#N)C2)nn1 553860404 FJGDVFPMFNGHAB-UHFFFAOYSA-N 426.252 0.944 30 20 ICED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 559194498 LXZPFZSIOAKXTA-WBVHZDCISA-N 445.545 0.941 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)C1=O 563238896 FOPIXUZOAQPFRN-PMACEKPBSA-N 428.533 0.730 30 20 ICED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 589440160 LZCDWBMOLRBLDE-UHFFFAOYSA-N 447.439 0.856 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590904031 SWMBDGWPAYYKQY-UHFFFAOYSA-N 449.916 0.968 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 620053490 AJYQTSJPNBNXCG-SFHVURJKSA-N 448.545 0.980 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 674997443 ODYXDUGMRYERDH-ROUUACIJSA-N 437.518 0.838 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 675600213 JALCWVPVNNZIHH-HNNXBMFYSA-N 428.449 0.428 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Br)cn2)C1=O 726043931 WCQXFDBQLCJJAF-UHFFFAOYSA-N 425.195 0.303 30 20 ICED COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 727007733 GGRHBXPUFUMAAS-UHFFFAOYSA-N 438.440 0.937 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 730071922 CTLWYVGUSWQZEZ-PJWCADQQSA-N 447.517 0.969 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 743892006 VMGSAAPQSOPKIR-UHFFFAOYSA-N 430.480 0.789 30 20 ICED Cc1cncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 745507693 QZANXQHTWOTYKP-UHFFFAOYSA-N 428.470 0.952 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 747263275 WLGSNBVVAMPTLR-UHFFFAOYSA-N 448.328 0.836 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(F)ccc2N)CC1 748851048 PYIBWQKDOUCRPI-UHFFFAOYSA-N 446.460 0.969 30 20 ICED CC(C)N1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 749692016 OVCORWFZRWYGAM-UBJVEFMGSA-N 449.533 0.563 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOC)cc1 752290386 AUEKYKQFIOGDDT-FQEVSTJZSA-N 443.525 0.702 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Br)cc2)c1=O 758051766 NNTLCQAMKPFPSX-UHFFFAOYSA-N 446.326 0.571 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC(F)F)c1=O 758077028 MBTGXTJEMNCZEK-CYBMUJFWSA-N 447.463 0.799 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)CC2)o1 766950024 JVFDRJSEKUCUHT-MJGOQNOKSA-N 427.509 0.825 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCc1ccc(S(N)(=O)=O)cc1 767670112 GQZZNFXVIWOFAY-CYBMUJFWSA-N 437.499 0.658 30 20 ICED C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)[C@@H]1CCCO1 775469782 GVHRYTPXPYYRMI-PVAVHDDUSA-N 441.531 0.454 30 20 ICED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782812107 WWLXCFYOXWXHKA-UHFFFAOYSA-N 439.881 0.513 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784547198 MOQGFQOSORPOTF-JKSUJKDBSA-N 433.486 0.813 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 786656110 MBQVJMWUECVTOI-UHFFFAOYSA-N 441.492 0.242 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 789119597 RQLFWSYARCFHEX-HRAATJIYSA-N 440.456 0.822 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1Cc1ccc(F)cc1F 791804709 UCDYBSHAICENPA-CQSZACIVSA-N 437.428 0.493 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646293 GMUIQYRENAEYME-UHFFFAOYSA-N 433.468 0.649 30 20 ICED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 804943868 JWTOZMSZIVELTL-UHFFFAOYSA-N 431.492 0.653 30 20 ICED Cn1c(=O)c2c(ncn2CCOC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n(C)c1=O 805590086 ACIXNSCKULWFES-CQSZACIVSA-N 440.435 0.514 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 807898992 JLXGJXMPSKNSPX-CYBMUJFWSA-N 440.547 0.046 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 893447603 HJNJWNXKCCXQSB-UKRRQHHQSA-N 439.490 0.701 30 20 ICED COc1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)c(C(=O)N(C)C)cc1OC 915785140 NPXHEENIGDNVKK-UHFFFAOYSA-N 440.460 0.839 30 20 ICED CC(C)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918408883 BELRFODBGHKMKN-RELWKKBWSA-N 435.550 0.991 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CCC1 1303823163 KQXDRRNUXJWFNC-QWVSSGJLSA-N 428.584 0.929 30 20 ICED Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cnccc3C#N)CC2)c1=S 1324803577 QKTPOOOWWHWBLB-OAHLLOKOSA-N 447.590 0.975 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1454881756 ZAOFKTXNNZFDEU-RDJZCZTQSA-N 434.493 0.382 30 20 ICED CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1 1470668340 VRXBMTAHVIWGRR-SFHVURJKSA-N 449.581 0.740 30 20 ICED Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1473583788 JRBKPZZFMULDQI-UZLBHIALSA-N 436.534 0.693 30 20 ICED CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503362619 INVUOJGIKGKSGS-DOTOQJQBSA-N 449.581 0.225 30 20 ICED COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1619662679 SYBWEKGRHDJMNH-PBHICJAKSA-N 434.522 0.812 30 20 ICED Cn1c(=O)c2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cnc2n(C)c1=O 1640509215 LDSSAYDZBIWYED-UHFFFAOYSA-N 432.484 0.898 30 20 ICED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)nc1 1663771970 XBYRTMZXKJZVIV-UHFFFAOYSA-N 426.458 0.986 30 20 ICED N#CC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCOCC1 1674100175 WOEQGTNLIZODJC-UHFFFAOYSA-N 436.538 0.153 30 20 ICED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1695437807 WOMBLNKAQYJTIC-CQSZACIVSA-N 433.538 0.923 30 20 ICED COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1712123301 WEMXODSHPOBHOQ-HUUCEWRRSA-N 442.542 0.012 30 20 ICED CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746462105 VETBBVIGAFEDOL-IEBWSBKVSA-N 427.557 0.681 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1760374299 LYNMJZBMWVVYJY-AWEZNQCLSA-N 432.934 0.032 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777994422 QSQTXYLVMZBXTC-GAJHUEQPSA-N 438.484 0.485 30 20 ICED CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779101374 KSOLFXJMIUXZTL-HNNRIZOBSA-N 434.497 0.832 30 20 ICED CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)nn1 1780427195 RZMMRVZSIJFUOE-HVHIPWAVSA-N 447.492 0.848 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCCN2C)C1 1780586422 FSVFWJNJXKMQLO-IHWSYRDGSA-N 432.565 0.843 30 20 ICED CC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1781169960 HHZRVRLBKDHTEF-QFIPXVFZSA-N 448.520 0.946 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(C#N)c1 1781175016 WVIMFCWUFPZXHN-QHCPKHFHSA-N 437.500 0.915 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)ccc1F 1781297024 MQVHIPVMTPLGPD-QHCPKHFHSA-N 444.507 0.792 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1)CCO2 1783046350 GLVBWIPAWAKROY-JOCHJYFZSA-N 435.521 0.771 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C[C@@H]21 1783529118 CXYIEMKZKQECAG-LQHLUTLQSA-N 443.504 0.327 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1784199508 GZTNZYKKGDLACP-HXUWFJFHSA-N 425.551 0.436 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788575482 YNIJFOJMGSWOHU-XLAORIBOSA-N 427.505 0.896 30 20 ICED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1792640223 HHGIFHNCZDRKIV-BCDXTJNWSA-N 432.484 0.993 30 20 ICED 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)COC 1793445186 YJDMONNFDVPDBZ-JCECYMMASA-N 437.537 0.775 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837339 NMJQEEWKVBYHCU-DMUMMCEESA-N 439.578 0.075 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797436982 STLZFWVNMALXHS-CCWDJLKJSA-N 432.477 0.378 30 20 ICED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)cn2[nH]cnc(=O)c12 1798860096 JDBMSQQKHAFNGP-IZZQQSIFSA-N 446.467 0.720 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1c(C)cccc1C 1799279616 KVWNEDLCARQLQM-GNBUJSLZSA-N 427.501 0.870 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)c1 1799748512 HYGLTNQVJOBIPT-FVCICTRLSA-N 430.465 0.811 30 20 ICED 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)C1CC1 1800773944 MEIOAZVEMLIIBD-UIVXKWKOSA-N 449.504 0.357 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1cncn1 1801359310 AJWLWEAHNPTFRE-LJGDNWOOSA-N 434.460 0.490 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)CC1 1802689477 YGDMIODQGPUXEC-TZIWHRDSSA-N 440.548 0.801 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)[C@H]1c1cccnc1 1803550627 PPQMNIQJNMIANL-WKDRNLAYSA-N 441.576 0.762 30 20 ICED O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)C/N=C/c4ccco4)CC3)C2)C(=O)N1 1806696214 ATSSMKNKHXQXMZ-SSDVNMTOSA-N 429.477 0.482 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)cc1 1807610832 ZDJGKGBCWLWCIB-UGKGYDQZSA-N 430.472 0.888 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948258 AYMODTMNXGTVBH-YEWWUXTCSA-N 436.476 0.739 30 20 ICED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CS(=O)(=O)N2CCCC2)CC3)CC1 1814470237 PRRGTZQBOHIJNJ-LBPRGKRZSA-N 437.547 0.784 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666255 YGOKFFUQOYIBAD-CQSZACIVSA-N 444.496 0.235 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1820894697 QRTNHOICQQMKCC-UKRRQHHQSA-N 434.497 0.504 30 20 ICED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948541 UVWIRZXAHCWZBU-VQTJNVASSA-N 446.592 0.898 30 20 ICED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c(C(F)F)n1 1830056785 UKSORELHLXEOGF-IBGZPJMESA-N 425.436 0.977 30 20 ICED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831213003 FNMDWOUBKFTERC-HSZRJFAPSA-N 447.532 0.723 30 20 ICED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1831276556 PKWPWETTXAJOFS-HXUWFJFHSA-N 434.880 0.418 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1831421726 PXANVZLRFZGCIT-FOIQADDNSA-N 438.456 0.444 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833785794 ZVNYMMOLFPASHX-MGPUTAFESA-N 438.912 0.773 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834128565 JPLDURZEUJGYMZ-VGOFRKELSA-N 433.505 0.733 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n(C)n1 1835096633 FFRPWBVVCIYKLB-HSZRJFAPSA-N 438.484 0.550 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1835359942 QWUOEBKFSXYKDT-LJQANCHMSA-N 431.474 0.130 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1835767774 QUZAKDGMJBCWKA-ZHNJOBQTSA-N 446.552 0.984 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835858298 GQLKHDNDYSZNIR-NRFANRHFSA-N 425.445 0.679 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)cc1 1836360219 WWJKKPYZHPVJFW-SFTDATJTSA-N 425.533 0.466 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868363 FIKJLDCRFBNECV-XMMPIXPASA-N 445.479 0.851 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837391360 MKRIRRXYIJCXHU-AUSIDOKSSA-N 448.516 0.801 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837468079 ZKOLEKMTHQGOGL-KRWDZBQOSA-N 434.509 0.138 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486795 QGDALQXTVLUNJP-HYBUGGRVSA-N 447.576 0.626 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524350 GCROHAREWLNFLA-IFPAPICYSA-N 438.525 0.066 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837531452 NAGWERMBQSUTKK-RTAJLIBNSA-N 435.481 0.317 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636506 APMUGTDMGPFRNR-UTXAPGEGSA-N 437.518 0.227 30 20 ICED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/C(=O)NCc4ccco4)CCO3)C2)CC1 1837637415 MBOYMQLXABZINI-LFTXJPJQSA-N 442.472 0.212 30 20 ICED Cc1nc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838264195 WNDGLPWQCQTVAA-JOCHJYFZSA-N 447.511 0.881 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)c1Cl 1838319881 SVNMHFMMDLNHSF-IBGZPJMESA-N 431.836 0.978 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccn4C)C3)C2)c1 1838580449 CTUJKTNSXYWCLZ-JOCHJYFZSA-N 439.472 0.684 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1838835053 HQTLRSDZZBFVLU-QRWLVFNGSA-N 437.497 0.300 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1839174594 LTWFKRHXSYJRRG-JOCHJYFZSA-N 448.520 0.319 30 20 ICED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840088322 YKSKJGLKYPIEMU-VFNWGFHPSA-N 438.525 0.906 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840167910 VKUSHLHNHMXKFE-HSZRJFAPSA-N 440.500 0.840 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840645583 CARXXGOPDHUVSE-KSFYIVLOSA-N 431.489 0.447 30 20 ICED O=C(NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccnc1 1841969861 YEAQETAFRZOSCH-BBMHEYIBSA-N 429.477 0.544 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CSCC(=O)O)C1 1846392083 DNCMDINRBLPACX-AWEZNQCLSA-N 439.534 0.924 30 20 ICED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)CC1 1846979229 XAQCZMBTSQISGE-UHFFFAOYSA-N 425.533 0.778 30 20 ICED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 438747590 NVRQQHPJEQGMHW-HNNXBMFYSA-N 431.518 0.984 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)n2)cc1 441186790 DYUMYXOSOQFGIB-UHFFFAOYSA-N 430.472 0.876 30 20 ICED C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461984169 MLXARDVEBRAUAR-FXJWEYNDSA-N 426.448 0.897 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 465393836 BLEGGAAGVNBINE-ZIAGYGMSSA-N 446.526 0.358 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 479892207 XGPBRIPJJLYSQF-JOCHJYFZSA-N 443.573 0.531 30 20 ICED C=CCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 482358475 MLNUTDCBQFFNRH-UHFFFAOYSA-N 428.507 0.999 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2sccc2C)c1=O 488078721 VQONKHMTFPJWCT-UHFFFAOYSA-N 449.579 0.226 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 489039379 LNGLLJNJELDBIN-GOSISDBHSA-N 439.537 0.351 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nn1CCC#N 504027135 URHHNKRWFJKMSI-FUHWJXTLSA-N 443.552 0.883 30 20 ICED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)ccc1OC 506535054 OBWXATVWXJDFAI-UHFFFAOYSA-N 442.469 0.413 30 20 ICED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](C(N)=O)C1 506898442 VKLRSJOKKQQFPB-ZDUSSCGKSA-N 435.481 0.768 30 20 ICED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 509717082 TWGTYGCBHVOPTI-UHFFFAOYSA-N 438.532 0.840 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 513619655 NWGGPKDUMNXVIK-UHFFFAOYSA-N 443.547 0.690 30 20 ICED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CCC2 516171089 FMDCPUVRILEHAL-GOSISDBHSA-N 437.504 0.639 30 20 ICED CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(F)c1 518637121 GNZJVOOHVJDJBT-UHFFFAOYSA-N 439.494 0.975 30 20 ICED N#Cc1cccc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 521089033 SUDVHDLMKPDPKO-UHFFFAOYSA-N 442.545 0.947 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C(C)C)c(=O)n2CC(N)=O)cc1 527279788 JZTHZYQOKLMRSD-UHFFFAOYSA-N 435.509 0.867 30 20 ICED CN(CC(=O)N1CCOCC1)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532557074 ZLTPPWRHFHHOEK-UHFFFAOYSA-N 442.476 0.245 30 20 ICED CCOCCCNC(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 533239643 RJNBJVRHYGUKJC-UHFFFAOYSA-N 446.552 0.758 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cn(CC(C)C)nc2C(F)F)CC1 536449457 MYUGQZGXKRNROW-UHFFFAOYSA-N 426.468 0.862 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 544337800 ZGTVXRPQILYLHD-CYBMUJFWSA-N 446.485 0.988 30 20 ICED CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546199150 AIKOJNDJZPNEET-UHFFFAOYSA-N 436.472 0.755 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 550819269 VTKTYBOCFRBCJH-UHFFFAOYSA-N 438.532 0.938 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 556759896 UADBGPTUBSAQRU-UHFFFAOYSA-N 436.494 0.250 30 20 ICED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 557475074 XMLNMWXPODYXBX-CYBMUJFWSA-N 432.458 0.911 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 560426681 QJBWSSGLQNDEEJ-OAHLLOKOSA-N 430.530 0.487 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1=O 560637207 XGLXGBMSTIPWJB-MSOLQXFVSA-N 428.489 0.666 30 20 ICED C=CCCOCCNC(=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 564679803 HVNVPRRUZQQUJI-UHFFFAOYSA-N 442.314 0.605 30 20 ICED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 603806678 KPQWFKSLKZUTDP-FQEVSTJZSA-N 434.518 0.573 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)C2CCOCC2)CC1 611809874 GZNMCRXHUORGJG-QGZVFWFLSA-N 429.477 0.832 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccn2C)CC1 670232244 YPOGMSBPCOIERP-OAHLLOKOSA-N 435.554 0.765 30 20 ICED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726000198 NAUTYWQVARBPTC-PMACEKPBSA-N 438.484 0.950 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 726042117 CSYKZNJLLADYKF-UHFFFAOYSA-N 448.457 0.184 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)CC1 728531820 RIABGAUFSOJHNM-UHFFFAOYSA-N 442.545 0.336 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCOCC 732510480 ZVXSIZQGRUSASD-CQSZACIVSA-N 431.536 0.766 30 20 ICED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C(=O)N1CCS(=O)(=O)CC1 732910456 PUSRKFVOBHIRQG-WMZOPIPTSA-N 429.498 0.494 30 20 ICED C[C@@H](CC(=O)NCc1ccc(S(N)(=O)=O)s1)/N=C1/NS(=O)(=O)c2ccccc21 742486190 NIZJBOFTYZVIEF-JTQLQIEISA-N 442.544 0.529 30 20 ICED C[C@H](CC(=O)NCc1cccc(S(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742533330 VCOPWFRATIHVEK-GFCCVEGCSA-N 436.515 0.468 30 20 ICED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 742607638 YPNDEMDYPRSHBZ-UHFFFAOYSA-N 427.498 0.710 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 743890640 QPMJPUDNHGLJCD-UHFFFAOYSA-N 440.497 0.507 30 20 ICED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 745353244 HBUMEKKGERWVNB-SUMWQHHRSA-N 445.501 0.924 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CN(C(=O)OC(C)(C)C)C3)CC2)o1 752244404 GXWHZJVAKSHRHH-UHFFFAOYSA-N 433.465 0.913 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@@H]1C 754511872 PLFFXRPEZPIEFM-CYNURGJPSA-N 435.550 0.991 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 757153168 WBWTXSOYQRYJPO-ZDUSSCGKSA-N 425.474 0.124 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)cc1 767285915 CECOBCBTPJCRRQ-UHFFFAOYSA-N 440.433 0.882 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCCO)CC2)ccc1F 769382363 MIFXFACJJADVLP-UHFFFAOYSA-N 427.498 0.641 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 771215784 ZEXLBZDQNYNNGT-UHFFFAOYSA-N 435.864 0.818 30 20 ICED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782640275 LONDGLKNVSIXSN-UHFFFAOYSA-N 438.351 0.701 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1 783353463 COGURFJTOCIEHD-UHFFFAOYSA-N 431.449 0.688 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@@H](C)O1 787200284 UDTVFFOLWXUUBY-HZPDHXFCSA-N 437.504 0.806 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 787492922 CLRJGWNQPUUSBO-UHFFFAOYSA-N 432.502 0.893 30 20 ICED C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787354 JIJQRYAKDKOZJY-ROUUACIJSA-N 427.553 0.498 30 20 ICED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCn2cnc(C#N)n2)cn1 795182589 JXDLIPOAEVUYJS-AWEZNQCLSA-N 440.489 0.854 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)[C@H](C#N)C1 796967516 NNSVXZKCYFGUOR-CYBMUJFWSA-N 448.505 0.813 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CNC(=O)C(F)(F)F)CC1 799024004 KWHZGHLNXJSHBF-UHFFFAOYSA-N 432.424 0.642 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)nc1 804520844 NPHMRWXGIFCSKI-UHFFFAOYSA-N 436.516 0.754 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccncc1OC[C@@H]1CCOC1 807895476 HBMDXPJFUYEISZ-CQSZACIVSA-N 430.486 0.852 30 20 ICED CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)[C@H]2C1 815704975 VAKPHDGIAWLGHG-NKTBBRNUSA-N 433.534 0.600 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCOC 916200569 HCLGEKIUJQGZPG-UHFFFAOYSA-N 435.571 0.972 30 20 ICED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCSc1nnc(CC#N)n1C 1116907398 CTHYPDPEOUPXRC-UHFFFAOYSA-N 429.549 0.697 30 20 ICED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1121512054 IZOBNUZTYJPFIZ-UHFFFAOYSA-N 432.550 0.745 30 20 ICED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1=O 1298891013 NTCZOFSKMUJMAT-QGZVFWFLSA-N 443.533 0.519 30 20 ICED CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1315028835 LEISFXVLWLHOKN-UHFFFAOYSA-N 425.493 0.638 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1319273234 UIAITNAMUSXSLF-MRCUWXFGSA-N 436.476 0.223 30 20 ICED CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1469762406 LEUSVTBAEVMNAQ-GOSISDBHSA-N 448.549 0.624 30 20 ICED CCOC(=O)[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC12COC2 1471719868 NZNHGQAZIPLLPK-HIFRSBDPSA-N 435.502 0.542 30 20 ICED Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1542050149 KQXLOXLFWAXYLK-AAEUAGOBSA-N 425.540 0.739 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1556824089 UREAQFOPPFZBMK-JDFRZJQESA-N 436.515 0.722 30 20 ICED N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1Br 1621643513 KISAEVBUEGJIJD-UHFFFAOYSA-N 426.289 0.820 30 20 ICED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CC(C)(C)CC#N)CC1 1661494451 QCRRKPYVWKSKKQ-UHFFFAOYSA-N 428.580 0.982 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1Br 1669645689 QJKKSILTADYSJY-ZIAGYGMSSA-N 435.321 0.897 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1697889186 MGJVETMLYFSLAS-KRWDZBQOSA-N 436.476 0.821 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnc2s1 1777990175 KLDITWPIVDOGAJ-HXUWFJFHSA-N 427.486 0.812 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099097 ALIUDLLOAOOURM-RXQHMNIESA-N 438.525 0.508 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779099242 CDKHWQLEFUYTDS-HFSPCEDCSA-N 433.509 0.859 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779284210 OVNFYDFWBKIKAZ-PEBXRYMYSA-N 436.472 0.569 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nccnc2C(N)=O)C3)c1 1780179238 PABNZXCIALVXDR-QVKFZJNVSA-N 437.460 0.217 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(C)=O)C2)c(C#N)c1 1781764123 SGBOYVNMRQUVLV-NFBKMPQASA-N 442.516 0.759 30 20 ICED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1782197555 UFFYFCXCJMUTLM-IIBYNOLFSA-N 432.546 0.982 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782855525 HHLLYLHSLNJYGQ-SBUREZEXSA-N 442.516 0.866 30 20 ICED CC(=O)Nc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1782990418 RIVDQEGQUPHXCX-XMSQKQJNSA-N 427.457 0.861 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21 1783528018 FGBJAOCWJZZFRZ-KNCIGBOWSA-N 434.443 0.812 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1ccc(Cn3ccnc3)cc1)CCO2 1783558529 ZGKSNUHKOKZVND-QQHIZMLBSA-N 448.479 0.863 30 20 ICED CN(C)[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1Cl 1783565513 MCDBLBHRWFDQOC-PZJWPPBQSA-N 433.892 0.861 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1784512187 DBEHUQUUBCVNAQ-JOCHJYFZSA-N 432.521 0.919 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)cc1 1786699778 PESVMTGQNCUZAJ-WDSOQIARSA-N 433.530 0.916 30 20 ICED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)cc(OC)c3)[C@H]2C1)C(=O)O 1789255819 KKVBWPKAHWIBCY-QZHFEQFPSA-N 444.488 0.223 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)c1 1790226710 MKDDQYMISNWBPA-OYSPMZIOSA-N 449.504 0.868 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3ccnc3)[C@H]2C1 1791625374 QXIMGZTVNNIHII-QVOCJYIESA-N 429.521 0.357 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)cc1F)C2 1792490748 MDRRMYSQLXBRQH-KULPGCBOSA-N 431.464 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cccc(F)c13)C2 1792490869 QTPOVDHRGYADTF-VQHGLSKASA-N 441.463 0.764 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1793342693 LYMUVJPEEMVIAH-NTNQKNOYSA-N 443.525 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0.907 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C1CC1 409585249 DAPCQIXOIBBKGX-INMHGKMJSA-N 448.615 0.397 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 410107908 UWVVGAKTHRKNMN-LJQANCHMSA-N 435.546 0.885 30 20 ICED CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 427888657 UDNCXWDPDKYHKG-OAHLLOKOSA-N 430.896 1.563 30 20 ICED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 431460687 XZPAMNWXFJFBCV-HPGBDJQBSA-N 435.531 0.558 30 20 ICED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 437417366 CMDUKUZQVZNDKG-CQSZACIVSA-N 438.506 0.663 30 20 ICED N#CC1(NC(=O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCCC1 439290256 VQJRXSKJUUTYIS-UHFFFAOYSA-N 425.477 0.780 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nncn2C)cc1 441592877 SZHHQGJBYPDNAM-MRXNPFEDSA-N 432.506 0.924 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCOC1 441932950 KNILVZSGWIJBOQ-CQSZACIVSA-N 449.479 0.490 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1 463799885 PHOFAXBSZVMVAI-UHFFFAOYSA-N 426.458 0.362 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)Cc1cccc(F)c1 481218233 LPCFUUATYYZKHV-AWEZNQCLSA-N 432.477 0.839 30 20 ICED N#C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 481779864 APJGASZYFUBZRX-INIZCTEOSA-N 438.481 0.190 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482393264 WGTDTWBGZPNRDN-CYBMUJFWSA-N 448.526 0.722 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(Cc2ccon2)c1=O 489027948 UMUXAFSTSOJACZ-CYBMUJFWSA-N 425.470 0.271 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1cccs1 505656043 CVKPMFKPPYQEJI-UHFFFAOYSA-N 425.539 0.867 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1OC 505701488 XNWFQXLBMJVOQA-UHFFFAOYSA-N 435.509 0.755 30 20 ICED CN1CCN(c2ncccc2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 508965764 MTHTWAMBNKGOHH-UHFFFAOYSA-N 442.545 0.955 30 20 ICED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 509004051 DRQUZSXPQONYHM-UHFFFAOYSA-N 436.266 0.380 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 509411957 YEMIJQNYONLPFT-NSHDSACASA-N 440.469 0.889 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCc1cccnc1 524337547 QEJXLPVDDAHGTN-UHFFFAOYSA-N 440.550 0.875 30 20 ICED COCCN(CC(=O)N[C@](C)(C#N)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533035383 VHIKNVCQCXRKNS-JOCHJYFZSA-N 440.504 0.841 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)CC1 548865370 FYCALPHGQKYUEL-UHFFFAOYSA-N 426.565 0.998 30 20 ICED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549256438 LNXSKJJUMKAMBP-OAHLLOKOSA-N 444.517 0.072 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)CC1 550991611 ZQLJZTSSPAOALV-UHFFFAOYSA-N 428.581 0.996 30 20 ICED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 551380060 DGAWRNLYLYSACO-UHFFFAOYSA-N 436.490 0.583 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)CC1 557733169 ORCWLLRMFCSLIB-INIZCTEOSA-N 434.541 0.578 30 20 ICED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nc1 559536780 ALBWWHPSHCVBJM-INIZCTEOSA-N 443.485 0.665 30 20 ICED N#Cc1cncc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 571212531 YRCVSODRJINHGL-MRXNPFEDSA-N 436.515 0.889 30 20 ICED CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 581563138 WMVXAAVQQCFQJT-UHFFFAOYSA-N 440.508 1.101 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCN3Cc4ccccc4C3)C2=O)cc1 585776220 SCERCAILKNGZMN-NRFANRHFSA-N 431.496 0.907 30 20 ICED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1 588858621 FLDVGYNXPQYKRE-UHFFFAOYSA-N 427.526 0.735 30 20 ICED C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(=O)N1c1cnn(C)c1 610308534 YUFGKVDCYDGAHR-DYVFJYSZSA-N 430.490 0.536 30 20 ICED Cc1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1S(=O)(=O)NCC#N 610635740 HWIQKXSAHFJGET-IFXJQAMLSA-N 433.490 0.247 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1C 611187477 LQKKTFCVSNBWFJ-INIZCTEOSA-N 444.517 0.840 30 20 ICED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(CCC#N)CCOC)cc2)CC1 615254085 NJYOVIMSNJHQHC-UHFFFAOYSA-N 429.521 0.720 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 619464140 DQPOQTSFRLJPIZ-UHFFFAOYSA-N 446.460 0.951 30 20 ICED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(=O)N(C)C 671654156 GIXRPCGMZXODCI-UHFFFAOYSA-N 429.546 0.548 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCc1ccccn1 726182400 SOQXZQGWRUHLER-UHFFFAOYSA-N 436.541 0.748 30 20 ICED Cn1c(N)c(C(=O)COC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(=O)n(C)c1=O 731253838 DZONTHLMEZTFPE-UHFFFAOYSA-N 441.444 0.119 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)[C@H]1CCOC1 733718842 HPWRZOIWRRTQEI-ZDUSSCGKSA-N 429.520 0.520 30 20 ICED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1OC 737148721 DGLNAOUTGJCFJI-UHFFFAOYSA-N 446.489 0.890 30 20 ICED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 750300865 KMYYPYNTHDVDGI-VHAMKEJYSA-N 443.551 0.655 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnc(CC)s2)c1=O 752186500 XVCPTQQSFDEBIL-UHFFFAOYSA-N 443.598 0.782 30 20 ICED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCC(=O)N2CCOCC2)c1 754773034 ODCQJICPXOJFIU-UHFFFAOYSA-N 430.280 0.765 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 755618212 HGIIEWVRZDYFFL-UHFFFAOYSA-N 443.573 0.930 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758054407 YKHWHHAYCUKJNZ-UHFFFAOYSA-N 427.482 0.506 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758058938 OJUWDVNZFWOCNP-NSHDSACASA-N 435.427 0.614 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 758480257 QWMILMXSPZHHOA-GOEBONIOSA-N 443.570 0.554 30 20 ICED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1C#N 758868514 HATHHYLDOJUBFG-FQEVSTJZSA-N 440.416 0.438 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763006527 HBWBHGFPRDSVBV-UHFFFAOYSA-N 436.877 0.645 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1csc(CS(C)(=O)=O)n1 767677804 BAWDBTCPCRNDQD-NSHDSACASA-N 443.528 0.970 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771412549 OLZPPPWEZLLCOF-ZMZPIMSZSA-N 436.262 0.897 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CCOC 782599958 FOVZHKNJQAHVQW-UHFFFAOYSA-N 441.962 0.927 30 20 ICED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)nc1 803135444 QPFOFEDJTUGFBG-GOSISDBHSA-N 436.472 0.915 30 20 ICED C=CCC1(S(=O)(=O)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 810988021 HPQOOXLSJCCOCB-UHFFFAOYSA-N 444.531 0.884 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815262509 MCHNKCYKEKXPAW-GJZGRUSLSA-N 438.506 0.789 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 831425586 DSGKWTQKVJBKCG-FQEVSTJZSA-N 427.440 0.861 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1CCOC 838202690 DKMOXUQCAVVUQS-UHFFFAOYSA-N 446.573 0.650 30 20 ICED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914655386 PJLZHQXOQPIRJN-JSGCOSHPSA-N 439.877 0.729 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)o1 915444586 FDERBVWWQOOMOI-UHFFFAOYSA-N 441.462 0.430 30 20 ICED CC(C)NC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918255334 QQRDVXIREPEEIB-XQNSMLJCSA-N 437.522 0.469 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1 920652653 CFLFPYYJNOWLNK-ZWNOBZJWSA-N 442.266 0.483 30 20 ICED Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cnccc3C#N)CC2)c1=S 1117718807 JYXULJNJZYONSM-OAHLLOKOSA-N 433.563 0.900 30 20 ICED COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(C#N)n1 1184775484 ODJAHMQFEZXQQI-UHFFFAOYSA-N 441.469 0.745 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccnc1 1288862251 IECAHVRSAPMOHD-QAPCUYQASA-N 444.565 0.703 30 20 ICED CS(=O)(=O)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1302429234 YNRNATNBVSWHLJ-OAHLLOKOSA-N 425.474 0.916 30 20 ICED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1359143397 ZOGVRZXNKDGXPJ-ZDUSSCGKSA-N 426.934 0.757 30 20 ICED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCN(C(C)=O)CC2)CCOC1 1502618561 JREYUEPYRQYAPL-LAUBAEHRSA-N 433.557 0.833 30 20 ICED COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1555289362 KAQSBQPETYOYTA-LSDHHAIUSA-N 426.543 0.824 30 20 ICED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 1557981414 QWLNPRMXBLBNGS-KRWDZBQOSA-N 436.534 0.286 30 20 ICED CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1642919148 JYNUUKSZPBJFIT-AZUAARDMSA-N 434.562 0.992 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1695534793 HQCLERUEWHZWNA-FXAWDEMLSA-N 431.518 0.982 30 20 ICED CCCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1728229127 XIGOEJVZQCKSAI-ZBFHGGJFSA-N 449.537 0.849 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1747603866 VYFYGZIOOILRNY-GOSISDBHSA-N 445.549 0.229 30 20 ICED CN1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1767515227 LZRPDGVTJIXFKM-LIRRHRJNSA-N 431.522 0.065 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C\C(=O)NC1CC1)C2 1779335912 MHEFWLKFIBBIJZ-IFZBRMRXSA-N 433.549 0.908 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Cn2cncn2)C1 1779494845 CBURVLTYVAUEPY-MOQLQTMHSA-N 444.536 0.287 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1781270692 SXQGZIOANCMLJJ-HTAPYJJXSA-N 431.489 0.749 30 20 ICED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c(C#N)c3)C2)C1 1781903355 PJIQPKYCJJPPEK-DJJJIMSYSA-N 449.305 0.899 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1782015305 JSBLJQGQYZUYBL-DNVFCKCGSA-N 438.484 0.355 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cccc(=O)n3O)CCO4)c2c1 1782192584 MCICPQQBEMXEKQ-QFIPXVFZSA-N 448.439 0.591 30 20 ICED O=C(CCc1ccc(O)nn1)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1782637128 SHALCLSPVPUDFD-MHRHTVJOSA-N 427.461 0.657 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCN(C(=O)OC(C)(C)C)C3)CCO2 1783055461 ZYPDPXLZPLVUKC-QFIPXVFZSA-N 443.504 0.711 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375489 BDZYXGJAVQOIPX-QFIPXVFZSA-N 439.472 0.823 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1785426391 XYFWUEXROQTTII-PNCHPQGNSA-N 449.548 0.848 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539073 GSFZWOLJFARRCP-RHSMWYFYSA-N 431.605 0.631 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1785574727 PYVZMMQEZOJRBZ-LHSJRXKWSA-N 447.492 0.475 30 20 ICED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n[nH]1 1785840733 LXPCUPPEAJLMIA-BORMZHTISA-N 430.509 0.677 30 20 ICED Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)nc2ccccc21 1786695893 OQTBFYAWLISFAM-MPGHIAIKSA-N 435.484 0.831 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21)C(=O)O 1786899073 UZXMWKGLHDHTKB-HJWJTTGWSA-N 448.907 0.868 30 20 ICED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)[C@H]2C1 1788199633 LEGCXVBKOKJJMI-TUFLPTIASA-N 426.517 0.781 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)nn1 1788638964 VPNPPAOHXQPCHZ-LNLFQRSKSA-N 442.516 0.777 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1789959433 IYDHENWJNDPJIB-QZWWFDLISA-N 449.508 0.038 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)c1 1790271121 FISPBDFSDLQNTJ-WNHJNPCNSA-N 427.505 0.053 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cc(O)ncn5)C[C@@H]43)c2c1 1790328795 UAPWAAPXKWSOIY-YEWWUXTCSA-N 447.455 0.837 30 20 ICED CC#C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21)c1ccc(O)cc1 1791336022 KKAHOTBIUDEDSH-ZFMNYDKASA-N 441.528 0.957 30 20 ICED 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#CC2CC2)C1 1793261185 AFHMAPRCRBDSJJ-KWXDATOUSA-N 447.532 0.217 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCOCCOC)C2 1793360460 NIQFFOYXTLMVNY-FTEYMNFISA-N 428.526 0.237 30 20 ICED 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)CCC#N 1795418931 QHWWGSRTTLTSRA-IWSXDTNSSA-N 436.509 0.250 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)C(C)(C)O 1795423932 NLINCUWGMTTYBP-YALNPMBYSA-N 438.525 0.544 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)c2ccccn2)c1 1795612160 GQVJUBZVOGUSRH-JWWGGVBKSA-N 435.484 0.865 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ccccn12 1796837896 NGMJPSVHSNESGO-KAXDBTLWSA-N 437.500 0.704 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CNc2ccccc2O1 1797674955 IJTOAWZIRYXQNM-ARNOYJHMSA-N 427.501 0.878 30 20 ICED CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818697 ZITABABOPPRYPM-ALANVVOQSA-N 429.539 0.219 30 20 ICED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798922503 RDMNDNNMCIYIRK-SFNKJDCFSA-N 444.488 0.605 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799149001 LUAVPKGJLAFPAQ-ACDHPSKBSA-N 434.537 0.778 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800031434 UJOLXWKBIIDIFB-CWPLJXCYSA-N 441.484 0.894 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H]3CCNC(=O)C3)c2c1 1801068883 AHYSHBHTTSUPKG-BKEDOTJMSA-N 436.472 0.164 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1802488425 WXUBUXPYPZDWAY-WUDFEMJASA-N 439.472 0.740 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806056971 ICFNXPBPMVBCDC-GOSISDBHSA-N 445.651 0.902 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)c1 1811533837 UVERUNYSKPTJTK-HNAYVOBHSA-N 435.444 0.153 30 20 ICED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1814566493 VFOWKLPRBZSQDB-OAHLLOKOSA-N 436.538 0.682 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)CC1 1829506934 RHTMDQOPLQJJAG-NVXWUHKLSA-N 427.505 0.847 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1829770531 WGUWYKIRNUBMGN-PRPIBZDOSA-N 449.895 0.058 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1829945031 RMAPXXMRFKWETD-WMZHIEFXSA-N 440.500 0.083 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830981902 LMQDUIHMZFYYOA-DYESRHJHSA-N 434.493 0.410 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1831218391 QSEFOHFDKDQNCN-QHCPKHFHSA-N 435.484 0.955 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3OC)C2)C1 1831387829 LRIIPXXDGOSBNF-FDDCHVKYSA-N 446.500 0.569 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1831401899 HROPWCSELXQSKI-GUXCAODWSA-N 426.466 0.043 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1831425318 CBGPSBLEJJKLOP-JBYIUTFZSA-N 432.521 0.930 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1831434901 IFIOLSNAYBZLSQ-HRAATJIYSA-N 434.493 0.327 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)[nH]1 1831853721 KWQGJBINIYPOIM-YRPGDMADSA-N 435.481 0.317 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCc4sccc4C3)CCO2)C1 1832590256 ATQUSLBPEBDSSY-FOIQADDNSA-N 439.603 0.881 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833316070 ORZWNNQYZBDNTP-IBGZPJMESA-N 438.431 0.462 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833826596 PZDPFYWLCQAKPA-GOSISDBHSA-N 426.420 0.894 30 20 ICED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834897739 VNYZKPCQEUPMNX-CPOKCXMASA-N 447.540 0.379 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834965388 FETOZRWZBRNVAJ-IERDGZPVSA-N 441.525 0.559 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835667760 PIGLPLJPQLIYMQ-HSZRJFAPSA-N 449.596 0.457 30 20 ICED CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835667761 PIGLPLJPQLIYMQ-QHCPKHFHSA-N 449.596 0.457 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836378432 YHPBFBQHKNRANK-BDJLRTHQSA-N 434.440 0.884 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559681 BEHBOYTXMCHLCK-JBMWNJKUSA-N 448.520 0.317 30 20 ICED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CC2)CC1 1837863376 MTJQGKMAHCBHPC-GOSISDBHSA-N 436.553 0.860 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838048269 SZAKLWJEKZAGNP-HSZRJFAPSA-N 435.484 0.955 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)s3)CCO2)C1 1838155380 IUTYTRYHJINMQK-FZKQIMNGSA-N 427.910 0.905 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnn4ccncc34)CC2)CC1 1838250211 YMLDEEOCSQPYCH-UHFFFAOYSA-N 425.445 0.430 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324533 KXLXBSIGCMLTQG-JOCHJYFZSA-N 445.520 0.638 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838570599 FBAQPVJLNZXKEM-HSZRJFAPSA-N 444.484 0.319 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838743006 XAWNVFWHLLJMCV-JOCHJYFZSA-N 429.521 0.688 30 20 ICED CCSc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838848048 NBLUGZJKUUWEKH-HXUWFJFHSA-N 433.486 0.352 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1839175727 AUWUPIPJTHXZBU-OAQYLSRUSA-N 435.477 0.491 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364196 SICPDFPMVABPIA-KNQAVFIVSA-N 447.557 0.937 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO3)C1 1839384491 IYABPTMRFCTCHO-IERDGZPVSA-N 439.509 0.252 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(C)c34)CCO2)C1 1839610537 QEAPEKHMDPUDLT-JPYJTQIMSA-N 440.500 0.751 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839887857 RXKHEVWGKFSKFC-QGZVFWFLSA-N 428.392 0.169 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104599 XKPHBQLFRGGTJM-HXUWFJFHSA-N 425.551 0.375 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840166136 VPKMJNDLHIIFCM-IERDGZPVSA-N 435.546 0.581 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458314 ZDRGGQRLFYCHGY-UTKZUKDTSA-N 433.509 0.667 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C(F)(F)F 1840855702 QTQOZXDJGQNXOK-QAPCUYQASA-N 435.443 0.866 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1845252237 OMYXXVUHLRSZFK-KBPBESRZSA-N 431.493 0.997 30 20 ICED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 60638246 QEHDFFJJBFXZOR-UHFFFAOYSA-N 427.486 0.785 30 20 ICED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 106309277 BHDSPDOMRXGPEU-UHFFFAOYSA-N 448.523 0.080 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 115675304 XPEFQQYRIRJVFZ-UHFFFAOYSA-N 425.493 0.057 30 20 ICED CC(C)[C@@H](CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)NS(=O)(=O)N(C)C[C@H](C)C#N 410401162 KUPUMTPIYOYUSW-BZUAXINKSA-N 436.604 0.205 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 434436327 FQPMWRSSFPDGEV-BBRMVZONSA-N 428.536 0.154 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)c1 439358046 MTPVECRSVXIUTR-UHFFFAOYSA-N 445.457 0.168 30 20 ICED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443152212 CMJNLGUZLWBGTM-UHFFFAOYSA-N 427.383 0.676 30 20 ICED CCCc1c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cnn1-c1cccc(C#N)c1 443691635 UGIBMZNCROAGSG-KRWDZBQOSA-N 435.444 0.398 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(Cl)c3)c(=O)n2C)CC1 461365967 UZTZTSGDRLHKTN-UHFFFAOYSA-N 446.960 0.776 30 20 ICED CS(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 461508605 QIILKOBFOKRRSB-SFHVURJKSA-N 439.559 0.995 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c(C#N)c2N)cc1 471466349 FVUVGNMAMHCRPQ-CRAIPNDOSA-N 425.493 0.899 30 20 ICED C=C(C)COCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 475477431 GDOISNZEUHGBFK-UHFFFAOYSA-N 441.506 0.364 30 20 ICED COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)nn1 476943218 NYLKOFGCHFTKLU-LJQANCHMSA-N 448.483 0.975 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)n1 479358305 JERXGHZCQVSPDE-CYBMUJFWSA-N 426.498 0.132 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2ncc[nH]2)CC1 481214877 WOLFBOXYCVUUBN-QGZVFWFLSA-N 428.518 0.951 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 482808854 LCRZCBKWNMPFDH-JGGQBBKZSA-N 428.536 0.059 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 482834524 AMWGSAGYHWCUKQ-GIVGJKMXSA-N 442.497 0.148 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3CCN(c4ncccn4)CC3)C2=O)cc1 487101671 HCXFCBOXLYQTDH-HXUWFJFHSA-N 448.531 0.571 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 489100243 JFKJZBWVIVIFSK-UHFFFAOYSA-N 430.505 0.020 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 491196927 CWGFTGUWSZMEFX-KRWDZBQOSA-N 448.495 0.768 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 498793651 RNRZFWSDOGWLPC-KRWDZBQOSA-N 443.533 0.579 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O 499358051 GGHNYIUNVHUFAH-LBPRGKRZSA-N 425.488 0.241 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)C1=O 512514529 MLHPOLDMZCJGGL-CQSZACIVSA-N 427.461 0.707 30 20 ICED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 516039725 UJHDEBREHJZFCJ-UHFFFAOYSA-N 431.449 0.783 30 20 ICED N#Cc1cccc(OCCCCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 520331845 JVJGCIQHCFKCSQ-UHFFFAOYSA-N 426.473 0.927 30 20 ICED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(Cn3nc(C)c(C)c(C#N)c3=O)nc(=O)c12 521799149 BNWMXFFSUDFQNQ-UHFFFAOYSA-N 443.441 0.580 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 522537533 LNKWKJLJJMRKOV-UHFFFAOYSA-N 448.479 0.942 30 20 ICED Cc1ccc(-n2nc(CCCNC(=O)c3cn(CC(=O)N(C)C)nn3)c(C#N)c2N)cc1 530983866 ZXEIRFYIIZLLJM-UHFFFAOYSA-N 435.492 0.677 30 20 ICED N#C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 553263231 JJHMICPILIVQAL-OAQYLSRUSA-N 439.560 0.984 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 553355396 CQNBASQXQNIRAS-UHFFFAOYSA-N 427.486 0.611 30 20 ICED C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)S(N)(=O)=O 560202655 ROSDWEWJJUMQKI-GFCCVEGCSA-N 432.506 0.773 30 20 ICED CS(=O)(=O)Nc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1F 603447674 JVQCFBFDBYEVNP-UHFFFAOYSA-N 426.451 0.986 30 20 ICED CCCCn1c(N)c(N(CC)C(=O)CN2CCN([C@H](C#N)C(C)C)CC2)c(O)nc1=O 609486233 GIZSTSAEBIXTBD-MRXNPFEDSA-N 433.557 0.850 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 731861611 HREXMCZYBPGCEA-DHQBXBPASA-N 429.408 0.235 30 20 ICED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 732908984 VFASPNMIESBNBK-GFCCVEGCSA-N 434.392 0.972 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCCn2nc3ccccn3c2=O)cc1 737332242 CQKPFPUOBHJZMD-UHFFFAOYSA-N 429.458 0.935 30 20 ICED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 740518617 QEMMTGRQKRWXAL-UHFFFAOYSA-N 438.575 0.434 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 746159437 KRANRGJSZRFFAC-VXPUYCOJSA-N 432.502 0.826 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1 746600642 WYRGBUINVSEPFJ-UHFFFAOYSA-N 428.537 0.229 30 20 ICED C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 747807957 AGLVAHFPUPACNO-UHFFFAOYSA-N 449.533 0.497 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)cnc2n(C)c1=O 751643240 NKVYWDMDPUVDNG-ZDUSSCGKSA-N 425.426 0.528 30 20 ICED COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(F)cc1 759936605 UFJJQGLAYAKVST-OAHLLOKOSA-N 435.433 0.601 30 20 ICED CNCCCc1[nH]nc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1C#N 760306785 FVVXWDIYAJIPFM-UHFFFAOYSA-N 429.506 0.891 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 763425117 FOLWYCDCMUXBJA-MSOLQXFVSA-N 434.456 0.987 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@@H]3CCOC3)c2=O)c1 763458973 VHDQNEBOXMHQLB-INIZCTEOSA-N 444.582 0.363 30 20 ICED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ncn(C)n2)cn1 768417992 POXDXCAJDLPCKW-HNNXBMFYSA-N 447.569 0.621 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NC1CCCCC1 769207664 VHHWYEJLBUXDPP-ZDUSSCGKSA-N 436.490 0.927 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)c1 769745098 XDTYVMZYRFOKQQ-LTGZKZEYSA-N 437.503 0.794 30 20 ICED C=CCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 772720437 MKIIOGBVZXOOJJ-UHFFFAOYSA-N 428.536 0.871 30 20 ICED C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 772929051 CCRBKPUUDSXMQO-SDDDUWNISA-N 443.909 0.719 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@H]1CCCO1 773795714 WVGPXEDIBFEWDT-AZUAARDMSA-N 438.484 0.736 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1C#N 774011769 GNDLTNGKWPIHRZ-RHSMWYFYSA-N 448.476 0.938 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 779549061 MLPSBXNUQIQULH-AWEZNQCLSA-N 445.505 0.058 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780298110 OKMGAXZAYBYQFR-UHFFFAOYSA-N 449.511 0.956 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1=O 787687894 RVSYNYUIPAJHTJ-OAHLLOKOSA-N 435.383 0.976 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1=O 788783716 UTLIRDRXGOGNRL-GOSISDBHSA-N 425.489 0.234 30 20 ICED CN(CCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 788891834 JVKIWZCDMCDXIT-UHFFFAOYSA-N 430.509 0.975 30 20 ICED NS(=O)(=O)c1cc(C(=NNC(=S)NCCN2CCOCC2)C2CC2)ccc1Cl 794469611 QDBLJTDVRZLENE-UHFFFAOYSA-N 445.998 0.898 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 807303824 UJWIEGCVRLVIOF-ZDUSSCGKSA-N 439.387 0.715 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCO[C@@H](C)C1 807619509 ZGOWQQWNSMXMEF-NYHFZMIOSA-N 427.457 0.942 30 20 ICED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1 813985741 MWMXMGXVBNHIDC-KRWDZBQOSA-N 434.499 0.920 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249183 JIKVBUOGBGYLGC-UHFFFAOYSA-N 437.472 0.143 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 916809460 WUAAYZQMKXPYFV-UHFFFAOYSA-N 425.444 0.291 30 20 ICED Cc1cnn(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 917992989 IKORCTIOOFCOBM-UHFFFAOYSA-N 431.474 0.140 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnn(C)c2)cc1 918434308 MIBWRNGLXQETRC-QJOMJCCJSA-N 432.506 0.530 30 20 ICED O=C(N=C1NS(=O)(=O)c2ccccc21)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1115911354 DUZXKLQNZMEQGX-UHFFFAOYSA-N 440.528 0.631 30 20 ICED COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316110225 MZCMFLHANJTMOL-MRXNPFEDSA-N 431.522 0.420 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 1318770494 AJGJWDVLQWEZLA-PKOBYXMFSA-N 425.489 0.944 30 20 ICED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@](O)(CC#N)C3)c(Br)cc21 1463961282 GYRCWVQLYZCODF-OAHLLOKOSA-N 429.296 0.679 30 20 ICED CC(=O)N1CCN(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1541006791 QMIZWYCBGJOOAF-LJQANCHMSA-N 441.511 0.901 30 20 ICED Cn1c(=O)[nH]c(N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)c(C#N)c1=O 1655104128 UGANATUEDNBNDR-UHFFFAOYSA-N 440.485 0.394 30 20 ICED N#Cc1cc(F)ccc1CS(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1661904115 NTSJTQGDIYUJSS-UHFFFAOYSA-N 432.481 0.646 30 20 ICED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1=O 1698085596 NICSODIDKSZCAF-UHFFFAOYSA-N 425.493 0.590 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)cc1 1777826051 PZKMTEPZIOYCKF-JOCHJYFZSA-N 431.456 0.682 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1778786660 HRZAPKDXHVSNFR-UTKZUKDTSA-N 430.461 0.261 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCO3)C1 1779033535 SPEFAJHPUNVCNV-RADWXHQJSA-N 430.505 0.831 30 20 ICED O=C(/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)NC1CC1 1779103183 OBGBMYYHIRYPIC-RJFRRTHMSA-N 434.493 0.180 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1779107680 XMVFWFULDLFQBS-LIBWCZBRSA-N 431.493 0.768 30 20 ICED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136226 ISFDNVIIKKYMIB-OXIXXVMCSA-N 425.489 0.493 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1)c1ccccc1 1779189062 PMJRFQOQPIDVLX-CJFMBICVSA-N 449.507 0.939 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4nc(C)no4)CCO3)C2)c1 1780167840 AHZTWRXLCGEBQR-OAQYLSRUSA-N 425.445 0.945 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)C2 1781695511 GJCAAGGFXRHZQP-JTUHZDRVSA-N 442.516 0.769 30 20 ICED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(CC#N)cc4)C3)C2)CC1 1781790453 VALUPWYXFHCVDN-QHCPKHFHSA-N 425.533 0.444 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782197060 YBBUWZBXXIFXBO-JLCFBVMHSA-N 436.472 0.569 30 20 ICED CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1782720948 WCQBBRWUWKJVMU-SGECOUMVSA-N 442.582 0.407 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782810869 KGNSJKSRBRQUFS-ONZODILHSA-N 433.574 0.770 30 20 ICED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C1CC1 1783558780 YIJYQYVAWKUYIX-ZHRRBRCNSA-N 449.504 0.598 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc2c[nH]c3nccc-3c21 1783566884 MMPHXVKJYJLJGL-JOCHJYFZSA-N 435.440 0.538 30 20 ICED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc(F)c(C#N)c4)C[C@@H]32)cc1O 1785591497 JQLWPEBESKMQBM-QOKNQOGYSA-N 441.463 0.972 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4nccn4)C[C@@H]32)c(O)n1 1785774266 SIQALDIOKNGLQZ-SNRMKQJTSA-N 440.504 0.791 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cn[nH]c4cn3)C[C@@H]21 1786859127 MKSSMMVCPXGMEM-QOKNQOGYSA-N 439.520 0.833 30 20 ICED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787505583 IVCSTTFKVUVPCJ-XSLAGTTESA-N 427.567 0.604 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)c([N+](=O)[O-])cn3)[C@H]2C1 1787637996 IGAKZXRDNLPXAF-DRMAHVMPSA-N 430.461 0.930 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c1Cl 1789267825 BQOQUEYUDRCOAF-BPUTZDHNSA-N 429.868 0.492 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)CN(CCO)CCO)CCC3)cc2)c1 1790148894 NMNSPYRGHHKIRT-UHFFFAOYSA-N 425.489 0.921 30 20 ICED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)cc1 1790583749 RTTVHXVQNAOGKM-UFYCRDLUSA-N 435.484 0.603 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792140900 UQQWVZPGGIYJTF-VGWMRTNUSA-N 436.509 0.503 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)cc1 1792556713 RROBUJBAFGLPDF-HATOLVCRSA-N 428.558 0.739 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262946 XLKFLKJKSFWSHG-AJYBTWMASA-N 429.517 0.906 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1793366525 OGSLENMDTAVSRN-RMYQPGKMSA-N 447.557 0.761 30 20 ICED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1795538765 HCSKKZLGXYXALC-IUTQVRIDSA-N 445.523 0.773 30 20 ICED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)n(-c2cccc(=O)n2C)n1 1795933849 ZYKHUGOJDDWCOB-VPTLXERWSA-N 438.488 0.386 30 20 ICED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)c1 1797236731 OVEPMNKIBHRCSU-HATOLVCRSA-N 441.532 0.017 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967409 YDLHBWNTHHYRRH-MOINTJSASA-N 441.536 0.740 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ccc(-n2c(O)nnc2O)cc1 1798595066 PWDWWDDTIUYEJH-HGKCTWBKSA-N 437.456 0.295 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799304120 NKTXMHONLSDFOF-PDXWDTESSA-N 437.493 0.614 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)ccc1F 1799325785 TZJZJTGEQUURKA-UPHUGPLXSA-N 444.463 0.672 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1cncn1 1799327200 FWKKRIHLJBEXIB-PJKMLTEKSA-N 426.452 0.682 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c1 1799748840 CDYSSNICGDBPGF-YVWYUNDQSA-N 425.420 0.157 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)Cn3ccccc3=O)C4)c2c1 1799883459 LETIEANZZYDNIR-VPTLXERWSA-N 446.467 0.500 30 20 ICED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)c1Cl 1800199210 JCQWGUSCZCXYFB-YVWYUNDQSA-N 441.875 0.672 30 20 ICED C=CCC(=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 1801000488 UXLNBVBKIIEDGY-KMWNMMNJSA-N 437.537 0.913 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801001816 LUGSEARBUWUHAH-FHTPNYMGSA-N 448.903 0.897 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810251910 AQUHVRTWXBUEBM-LVCYWYKZSA-N 439.516 0.917 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810864744 QTTRKNAPVSOPGH-IRXDYDNUSA-N 435.569 0.420 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNC(=O)c2ccc[nH]2)n[nH]1 1815850433 ZVSKGSAOBMDWDJ-OAHLLOKOSA-N 426.433 0.638 30 20 ICED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CC2 1825018280 VUOKVGZRKIEBPU-JTQLQIEISA-N 433.453 0.886 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)CC2)c1 1828969233 PPPDKHHAYOSBDI-PZJWPPBQSA-N 429.521 0.770 30 20 ICED N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828971698 DFKXUSRVZAIILG-MKQXIXSSSA-N 448.568 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829990684 HZVRCQZGOSBGHH-LJQANCHMSA-N 430.448 0.998 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2 1830606820 JMTMVDJBLJPCOI-JOCHJYFZSA-N 427.457 0.373 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccc(C)n3)C2)C1 1831386627 BLBOLKGHJOJUNQ-BVVUSLJFSA-N 427.501 0.898 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831394180 YPMSSHRGLHSUTN-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1831418257 ALFSSWASWGVOEX-SCLBCKFNSA-N 425.511 0.241 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831490928 PHTNDHSUCHECMB-LIRRHRJNSA-N 434.522 0.149 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1832457074 GYUVQMKRZDFHJA-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1833475735 KEOITZAFCJTAEC-CQSZACIVSA-N 433.509 0.664 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC=O)C3)C2)c(O)n1 1833700070 PWJNMLDLNQNCSF-OPAMFIHVSA-N 446.504 0.110 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)c1cc(O)n[nH]1 1834770802 SWQSSWCMAMMZPV-UHFFFAOYSA-N 443.548 0.999 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299028 WWULBPJAWWPZIU-UZXXWRCNSA-N 441.484 0.889 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835422957 QGOHSLZUZOIYER-QFIPXVFZSA-N 438.521 0.769 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835440961 LMECNARMSDNWTK-JOCHJYFZSA-N 439.553 0.148 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835592807 VFLFTBXEAMGYCE-JXHRLWIKSA-N 435.565 0.515 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652963 WCPVXSJWLCNHCS-KSSFIOAISA-N 429.543 0.260 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1835675226 YFGSVFGXMDDDNG-QFIPXVFZSA-N 436.553 0.541 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835712857 HTPQUGZQCPWHOS-HXUWFJFHSA-N 436.597 0.463 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835791044 JJHVKTQHMGVPBG-LJQANCHMSA-N 436.538 0.077 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835842317 ONMPTCFVZSILDB-IBGZPJMESA-N 440.610 0.628 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836063407 OZYBQWMKIBQQTE-UHFFFAOYSA-N 443.552 0.649 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccn4ccnc24)CCO3)c1 1837001559 ITNQGWBIDDAKBT-JOCHJYFZSA-N 434.456 0.918 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)ccn1 1837444171 QMQKAFHJNXLSBI-YQNSVDCASA-N 429.521 0.932 30 20 ICED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n1 1837524788 MVEKEXYYYCHKJC-VQHJOYQZSA-N 449.508 0.502 30 20 ICED CCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533436 UFRDDYKGYKLLOG-LAAGDHCCSA-N 427.498 0.398 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)ccn1 1837938862 XDXABZYVDZYUAG-ROZQTZPBSA-N 446.504 0.989 30 20 ICED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n(C)n1 1838044760 BUAQIWMYRFPZRE-KKSFZXQISA-N 435.525 0.853 30 20 ICED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cc1C 1838150539 FXDLRDOGVJYLEU-OAQYLSRUSA-N 426.477 0.795 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1838579049 AJADFGGHNWVLNB-NRFANRHFSA-N 425.445 0.674 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1838737131 JRTAKLQWOHNGTB-YDGKCNFYSA-N 427.505 0.297 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741802 BYEPXZRQILJKHF-NRFANRHFSA-N 425.445 0.178 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081181 XZQQZTPFIJEJIO-YDHSSHFGSA-N 429.517 0.257 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cncnc5)C4)C3)c2c1 1839487433 IGNMFVSWNSIJJI-QFIPXVFZSA-N 447.455 0.608 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)c2c1 1839488131 ZKLKNJDLCZCGJY-QFIPXVFZSA-N 434.456 0.808 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839607121 KJCKCVMNLLECOF-QFIPXVFZSA-N 439.424 0.098 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839890668 LSCKTIPHYZUNDA-IBGZPJMESA-N 429.464 0.667 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840161097 DJRZCJNFOBJDTQ-YUNKPMOVSA-N 433.486 0.210 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840166135 VPKMJNDLHIIFCM-HRAATJIYSA-N 435.546 0.581 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484080 YBPSKASUDCDVQS-IBGZPJMESA-N 425.432 0.876 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840588974 VXARIXKSZIRKPG-ZBXNVRSJSA-N 436.553 0.731 30 20 ICED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c(F)c1 1840813039 ACXCJZRKOZOOKH-NRFANRHFSA-N 432.452 0.993 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840821001 VKXPLFOZZISVLK-HSZRJFAPSA-N 444.532 0.734 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840852723 XQYWCQSSUZFIAX-URXFXBBRSA-N 441.528 0.799 30 20 ICED Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)C(C)(C)C#N)C3)csc2n(C)c1=O 1841137971 PZQRUKOCWRTAIR-UHFFFAOYSA-N 443.529 0.594 30 20 ICED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)/C=N/O[C@H]4CCCCO4)C3)CC2)CC1 1844301997 UTPSJJDXAKTXEY-CKMDTHJYSA-N 433.553 0.499 30 20 ICED C[C@H](C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)N1CCN(C)CC1 1846979882 PYQDPKPWMHOJPG-GOSISDBHSA-N 425.533 0.776 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 29478581 PXGNMETZVKADNG-GFCCVEGCSA-N 442.453 0.952 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CCO1 409478736 SVHBOWQWZZIGBI-FZMZJTMJSA-N 429.296 0.391 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 409577938 VQFNEPWYIQQZFW-MRXNPFEDSA-N 441.529 0.877 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410200281 SMRYLUKPZROQRK-IAGOWNOFSA-N 437.570 0.598 30 20 ICED Cc1oc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 435687093 CIAHDUXGLFWTKP-UHFFFAOYSA-N 430.442 0.937 30 20 ICED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C#N 435844202 HYKDCEORHFQUFN-UHFFFAOYSA-N 440.460 0.978 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCOC1 441962985 DXPPKAFIRDGRGF-MRXNPFEDSA-N 443.525 0.221 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)C1=O 444344476 OYRYXJBAZPOKBL-UHFFFAOYSA-N 427.461 0.266 30 20 ICED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1(N(C)C)CCC1 445854679 XOMUVSIEFCVRFN-UHFFFAOYSA-N 433.578 0.807 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)n1 446695241 WZCCLWBDXMAQBZ-UHFFFAOYSA-N 439.476 1.184 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2c(C)nn(C)c2OC)cc1 461788478 XXGVKBUXKWUUQU-UHFFFAOYSA-N 435.506 0.799 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 462095769 XCLGYSBBZZCPOD-UHFFFAOYSA-N 425.474 1.459 30 20 ICED Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C2CC2)n1 463628300 LRNJRFBZPWUPQT-UHFFFAOYSA-N 442.501 0.641 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 478939651 XDOYLKAHSZQVAB-FUHWJXTLSA-N 436.534 0.175 30 20 ICED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 480306646 IVNRLDGOUXCAPO-HXUWFJFHSA-N 426.454 0.898 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 482516736 YLKCEDGLHPKOJZ-HTAPYJJXSA-N 442.541 0.978 30 20 ICED N#CCCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCCO2 486252555 PZKKISZVLRZEGL-GOEBONIOSA-N 433.486 0.740 30 20 ICED COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1O 488186655 SLAITYAOSUUYMJ-RHSMWYFYSA-N 447.513 0.907 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 500758919 NUVFMDNOVQXHQL-HNNXBMFYSA-N 438.550 0.919 30 20 ICED CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 501607995 NQULCYXLZWVQKW-MRXNPFEDSA-N 436.534 0.930 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1 507329257 WMVLXRVADAZGRE-ROUUACIJSA-N 437.518 0.838 30 20 ICED C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 508956073 MLVKTHFXHFYHOY-QGZVFWFLSA-N 446.533 0.606 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 526038149 NEJSKNKGMGVECX-MRXNPFEDSA-N 448.504 0.442 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 526097356 NPZOQEFUCMFWQY-UHFFFAOYSA-N 439.520 0.768 30 20 ICED CNCCCc1[nH]nc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C#N 536304510 CCAQCFMCRFFITA-UHFFFAOYSA-N 447.521 0.052 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 553397791 YMMKIBVGUPCFOZ-SFHVURJKSA-N 444.598 0.042 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)c(F)c1 558039301 GKQVDYGSBVCNDC-MOPGFXCFSA-N 443.523 0.963 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 561472137 ZKBBKIFQPUYXTC-UXHICEINSA-N 434.581 0.925 30 20 ICED N#Cc1ccncc1N1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 562932683 PVXSKPVZHQJELP-MOPGFXCFSA-N 447.561 0.270 30 20 ICED Cc1nsc(N2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 568332394 VHGIDUDNSTXRFC-UHFFFAOYSA-N 426.550 0.974 30 20 ICED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cc1F 577260076 OVEHTENKLOFDLN-UHFFFAOYSA-N 441.488 0.902 30 20 ICED CCCCn1c(N)c(N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(O)nc1=O 609094562 MRTHDXYXMNEAIF-UHFFFAOYSA-N 448.505 0.800 30 20 ICED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 610028623 FUJRKAUAEKHSMB-UHFFFAOYSA-N 437.522 0.378 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 619875802 PBEWDJVLWWITGH-KRWDZBQOSA-N 442.476 0.057 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1CCOCC 725763916 ZRMWNCGMFDXAPS-UHFFFAOYSA-N 449.536 0.937 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C)cc3)c2=O)cn1 732562813 KEVOOEIDOLINOQ-UHFFFAOYSA-N 437.525 0.690 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1=O 738145906 UIRLUPTZOVWKOB-UHFFFAOYSA-N 441.488 0.708 30 20 ICED Cc1cc(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2c1c(=O)n(C)c(=O)n2C 738859127 DZWSBCZXYKLKQW-MRXNPFEDSA-N 433.424 0.775 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)c1 746789954 LXOHYKKTXXQGSQ-FCDQGJHFSA-N 447.561 0.992 30 20 ICED CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749753328 XPICOMKDRMRZOQ-HDOZFUISSA-N 442.563 0.668 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1C#N 752381166 GXMPJVMARKUMPS-UHFFFAOYSA-N 437.478 0.559 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770658315 RMXRKRUYHYAJIY-UHFFFAOYSA-N 440.481 0.879 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCCS1(=O)=O 773100212 MQNHUJITWZRJTG-HNNXBMFYSA-N 443.547 0.719 30 20 ICED Cc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1S(N)(=O)=O 773303821 PRQAJUNLDFSOBY-UHFFFAOYSA-N 436.515 0.387 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@H]1CCCO1 773798621 QHEPMOOOAVBPAG-RTBURBONSA-N 428.489 0.217 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 780318275 VQLSPSAOZKZAEO-AWEZNQCLSA-N 446.489 0.657 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783480281 IZPWDZSGRKCONH-QGZVFWFLSA-N 435.502 0.909 30 20 ICED Cc1nc(Cn2cc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)nn2)no1 787160673 GKTUALDPIYSMDK-UHFFFAOYSA-N 433.388 0.871 30 20 ICED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789811479 OSLSZEGDUOZRQU-MOUPGTPYSA-N 438.506 0.094 30 20 ICED Cc1nc(Cn2nnc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2C)no1 803560903 IJZQUZVBENUOTC-SNVBAGLBSA-N 444.477 0.782 30 20 ICED C[C@H](CC(=O)NC1CCC2(CC1)NC(=O)NC2=O)/N=C1/NS(=O)(=O)c2ccccc21 804731806 VQEOWIBQGMANQR-KMXRQWDNSA-N 433.490 0.141 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 806088149 NBFWTPIJPDHGEL-VQTJNVASSA-N 431.537 0.251 30 20 ICED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C[C@H]21 815707419 YGJBDGPVMMPFAE-HLFYEJPLSA-N 448.501 0.315 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)NC[C@@H]2C1 849052808 OPAFAEWQZKOQCS-XHSDSOJGSA-N 429.587 0.975 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 916702857 XZSKZFJFQHQFJM-UHFFFAOYSA-N 440.481 0.157 30 20 ICED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 918291604 ZJKQITNNPSVDQD-RELWKKBWSA-N 435.550 0.992 30 20 ICED CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302540291 FLXWJPHAOUVREY-NFAWXSAZSA-N 427.600 0.816 30 20 ICED CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1=O 1307061024 DVNLBTFCFTVZBI-UHFFFAOYSA-N 445.549 0.815 30 20 ICED C[C@@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1494595751 ZGTBLKRIEFYNMM-CVEARBPZSA-N 426.481 0.375 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 1541927348 IWSXGSHCVGCFRG-WBMJQRKESA-N 425.494 0.092 30 20 ICED N#Cc1cccnc1NCc1cccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1 1542480774 HLNPOKRMQPKDBU-UHFFFAOYSA-N 429.502 0.957 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1743095740 NNPHXCSDXCYPRB-PMPSAXMXSA-N 425.559 0.349 30 20 ICED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1751652966 PRDYGBXCQVIBQQ-XLIONFOSSA-N 447.517 0.444 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1752389643 YHKPENFJLVHTQC-QRWLVFNGSA-N 447.517 0.503 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)c1ccc(O)cc1 1778005300 CIBWQOZDBJKYER-LOCCHRAXSA-N 442.560 0.689 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779066800 HHGPUHDCPNNIQY-QHCPKHFHSA-N 442.516 0.643 30 20 ICED N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1cccnc1 1779104174 GTKBCSCQKMPLLV-BGKVCACQSA-N 445.520 0.830 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779140217 VJCQNAIJNBGIRS-SQDKRXNLSA-N 442.516 0.929 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1779225765 DOTMAHTZROSFAD-OYHNWAKOSA-N 448.487 0.806 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c1 1779310830 WUXRXTURGPXBLM-DYESRHJHSA-N 427.436 0.701 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442933 VBBDEBMJIVVWFA-GFVXIMMASA-N 448.520 0.364 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779952180 AESHPWBVNZLAIR-YCRPNKLZSA-N 446.529 0.773 30 20 ICED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cc(F)c(F)c(F)c3)NC(C)=O)C2)C1 1780932960 OQTIEZJDYBLMPA-UTKZUKDTSA-N 437.418 0.614 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781107847 DGUTWSPFHPJAKD-RXVVDRJESA-N 435.569 0.397 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782786924 JYQZEIQWLVHURL-FQEVSTJZSA-N 440.416 0.100 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603627 PFGFMXMAUYOLPQ-ZEWNOJEFSA-N 426.517 0.947 30 20 ICED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)CCO2)C1 1783896516 AOJKKCJQJWDBQK-ZOZBEKFXSA-N 443.566 0.505 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784198056 UTQBLLDORIJAFL-XSLAGTTESA-N 437.537 0.655 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]3C2)CC1 1784536582 ZPGKMHLFECMGHM-CGBFIWBNSA-N 440.610 0.085 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1785571477 BTTHJXUONMAKCC-ZHRRBRCNSA-N 443.504 0.837 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CC[C@@H](N)C(N)=O)CCC2)cc1 1785837306 DJBDEGXHBIXNPW-QXPKXGMISA-N 427.505 0.572 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789143271 KGEFGQJVVGZDQI-OYSPMZIOSA-N 427.505 0.896 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]3C2)c(O)n1 1789879923 RWFTVMHPNNTGKO-PDWMJMLSSA-N 430.505 0.634 30 20 ICED C=CCO[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 1790173655 HUFAMQCNWOYGTM-AAEZLKGMSA-N 441.525 0.400 30 20 ICED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccc(C)n2)c(C#N)c1 1794147529 XUSXEXDAUBRPSS-BBIADKPPSA-N 437.500 0.904 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1ccnn1 1796446756 ALFRHAZEOZJIJF-AQBJHWSWSA-N 429.502 0.929 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CC[C@H]2C 1796968422 OYJRQRZEFDKTON-OJLBIXRYSA-N 427.505 0.521 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797539865 MCPGUJUPHMJJIN-VWPFQQQWSA-N 442.472 0.826 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cc(C)cnc13)C2 1797713198 GMVCEQDPYKMCTI-MVJTYMMSSA-N 427.505 0.814 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1799305077 NRLFAHKTGCTCQB-XOIINTDNSA-N 427.461 0.671 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)cc1C#N 1801847561 RLMYOORQZZHAMP-NYUBLWNDSA-N 440.500 0.827 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1802032674 IOXGPLWYFRJTSQ-IIZPIQPGSA-N 426.517 0.995 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810351671 NWJVXPBVGMXPLP-KIQACKJLSA-N 447.536 0.539 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811456096 OQMOJKCPOKUPSU-OXQOHEQNSA-N 439.472 0.994 30 20 ICED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1815209770 VDEHXTUWXQDABN-GOSISDBHSA-N 437.541 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2CCOCC2)n[nH]1 1817177342 ZCQUCUXAYRZDGH-HPFMTEOYSA-N 444.536 0.983 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819847999 CEICOMDOAAMBLW-ZIAGYGMSSA-N 430.530 0.890 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826139459 RXVWTEXHZNUPRN-NXEZZACHSA-N 432.424 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1829762248 ARBRSTQXVGUFFE-YLNCNTMDSA-N 442.516 0.247 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1830063492 QWXVXHFMJRYAME-HSZRJFAPSA-N 442.516 0.813 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1831386172 AUIYMPWOGHYWOS-KKSFZXQISA-N 434.493 0.230 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1831396803 KILWYGRFHDCWSV-HXOBKFHXSA-N 441.484 0.675 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1831398850 MAZKVHQGRYHTKI-KSFYIVLOSA-N 444.463 0.582 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1831434686 FPPXAKJQFRHZRE-QVKFZJNVSA-N 449.460 0.962 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1831438051 KYTFTQVRODDLSB-AVRDEDQJSA-N 434.537 0.627 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1831488601 XXTMWAUDMKZOGT-HFSMHLIXSA-N 436.578 0.882 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cs1)CCO2 1831771221 ZEZJQSWWGOQDJE-NYPGBQQYSA-N 433.530 0.985 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831812155 WHSWWTNTGQHUNE-HTAPYJJXSA-N 434.537 0.680 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1832456029 HVEKCHPYDRCKBI-FQEVSTJZSA-N 431.518 0.719 30 20 ICED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833040642 SAZSCJGEZGCUEH-NRFANRHFSA-N 426.477 0.470 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1833433563 FNRGYQTYFASDQL-HTAPYJJXSA-N 448.520 0.518 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1834715219 IQNIOVCSCLMQFI-UHFFFAOYSA-N 431.541 0.582 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1835121876 HDLLXRUFCKCTJU-QGZVFWFLSA-N 448.612 0.707 30 20 ICED CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835354568 NYWBJWCZQMHQDJ-NRFANRHFSA-N 449.529 0.393 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729484 GVOHNQVTBPECJB-JJIBRWJFSA-N 448.612 0.944 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835856280 OZZWRIYPARSLRF-OAQYLSRUSA-N 441.444 0.379 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835974436 FORBESPRDPADLM-KXBFYZLASA-N 441.916 0.794 30 20 ICED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)cn2[nH]cnc(=O)c12 1836090342 XDBBSQUGZJNXHB-UHFFFAOYSA-N 439.520 0.820 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327391 PHQZKLNSXYTMHF-NNADXMBUSA-N 431.514 0.797 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837442346 WIZMDDSSPGFNAT-WDRHXJDGSA-N 449.596 0.791 30 20 ICED CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838020609 RIWYXGVWFPGVMH-JOCHJYFZSA-N 446.552 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838275577 DOJQJAJVBQSTNO-GCJKJVERSA-N 434.537 0.626 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)c(C)s1)CCO2 1838402351 AFLVYOFCSXXIFA-RMUOZIPVSA-N 448.545 0.688 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c1 1838581873 TUHBQHCECYLTHS-OAQYLSRUSA-N 440.460 0.377 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1839174899 CIHXDEINXXZUBY-OAQYLSRUSA-N 433.461 0.367 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839176388 MQMKMOXFPMASHN-DYESRHJHSA-N 425.526 0.292 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1839227721 XFNQFVSBUKIXCU-AUUYWEPGSA-N 441.916 0.944 30 20 ICED CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)CC1 1839229236 FQIFSPGNDUJEME-AVRDEDQJSA-N 438.569 0.976 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681001 BFCGHIMNDYNIIQ-DNVCBOLYSA-N 430.523 0.924 30 20 ICED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839843312 XRTIDVSDVDBPDE-UQASEVPWSA-N 440.493 0.150 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1)C(F)(F)F 1839892310 GKUHUMKKMFQSAQ-GOSISDBHSA-N 429.395 0.423 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840512630 HCSLXHXHVYZZHP-NAMKQITDSA-N 431.489 0.527 30 20 ICED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)N(C(=O)OC(C)(C)C)C1 1843085467 FUYZBFDFHZPESH-HNNXBMFYSA-N 431.497 0.442 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(c2cc(OC)ncn2)CC1 1847667947 VQWOBFCPBJTQTJ-NEWSRXKRSA-N 441.532 0.942 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1=O 29494956 JZDXNQIJGWXBRP-UHFFFAOYSA-N 440.435 0.816 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 110020353 LTBFTEBDKZHNEM-GOSISDBHSA-N 433.534 0.113 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 409545000 VVOMNANBSDRKGN-UHFFFAOYSA-N 444.579 0.845 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 410115148 JMXGBZNOQLISAW-INIZCTEOSA-N 425.530 0.899 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)C1=O 440234606 ATFLAEXHOGODHK-SFHVURJKSA-N 428.489 0.796 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441949342 NEFUZMQUPUQPQE-KRWDZBQOSA-N 427.526 0.602 30 20 ICED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 461735289 UXROUJCHIJOFBU-UHFFFAOYSA-N 448.526 0.824 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)c1 477801213 VHHPKLXNQUROJV-MRXNPFEDSA-N 430.548 0.817 30 20 ICED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCN1Cc1ccccc1 478774481 QVDXWWZAFZQJJX-IBGZPJMESA-N 435.484 0.403 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 502344900 WPNBVNSBMDEEJV-GOSISDBHSA-N 427.548 0.458 30 20 ICED CN(CC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 506687162 LORYJNAFPROOAN-ZBFHGGJFSA-N 428.536 0.013 30 20 ICED CC(C)N(CCCNC(=O)CN1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 507176208 CPARHDZTXPBOND-UHFFFAOYSA-N 439.557 0.996 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 511078873 WXKQWHRAXGSQSU-KRWDZBQOSA-N 437.521 0.978 30 20 ICED COc1ncc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1C(N)=O 511299366 GUWUEUJSHWXZSI-UHFFFAOYSA-N 438.444 0.901 30 20 ICED CN(C)C(=O)CN1CCN(C(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 512801628 MUYFCGAWAXHALZ-UHFFFAOYSA-N 431.512 0.773 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(C)C)CC1 514306989 PMVADSVZBYTJBL-UHFFFAOYSA-N 425.558 0.628 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 515707950 YADXAHQLIPSYMD-UHFFFAOYSA-N 434.562 0.921 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 520790509 YLMCLQCHRYXSDV-UHFFFAOYSA-N 437.403 0.295 30 20 ICED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526038073 RIDSDZVTKXHVPW-GFCCVEGCSA-N 449.891 0.686 30 20 ICED C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540559878 DBOAQKHFMDFLCX-MJGOQNOKSA-N 444.605 0.742 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 548861379 CTLDKCHKPJRENH-UHFFFAOYSA-N 443.554 0.657 30 20 ICED COCCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 552927992 MSHWLKARNPRLKE-FQEVSTJZSA-N 441.532 0.392 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCC3=O)C2=O)cc1 553280512 GWVVKVVGICPMIJ-GOSISDBHSA-N 425.489 0.294 30 20 ICED Cc1nc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)CCO2)n[nH]1 554159976 RWVZTVQDHWJIAB-YJBOKZPZSA-N 441.467 0.809 30 20 ICED COc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 556636092 CNRBANZMKSAUNH-CQSZACIVSA-N 438.506 0.709 30 20 ICED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 558987358 BSFWTMLMIUUVLB-UHFFFAOYSA-N 429.510 0.579 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 559064080 WIKNJSVAPGLZAD-SJLPKXTDSA-N 438.488 1.070 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)Cc4ccccc4)CC3)CC2)o1 559158607 XMBWVFCOPVVFSO-UHFFFAOYSA-N 436.516 0.890 30 20 ICED COc1ccsc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(CC(N)=O)c1=O 576219939 MIWWQFIFWRECAL-UHFFFAOYSA-N 443.481 0.990 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 576556543 XMSIJALEWSGUNA-DSIZOQBWSA-N 445.439 0.001 30 20 ICED NC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1Cl 730798599 MHVDEGOVCSHYCT-CYBMUJFWSA-N 434.905 0.839 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1 733149561 KMXXTRLAMOVNQO-IBGZPJMESA-N 430.574 0.822 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CC1 747742709 XGVJOONHMBGRNQ-UHFFFAOYSA-N 441.937 0.866 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755626749 CPQDQKGLKDLYFK-OAHLLOKOSA-N 446.554 0.646 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 762549864 QXKUOAMAHJIDBC-WSRQSJKRSA-N 449.533 0.565 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCOC 765144295 GVPCLKLQMZLXPR-UHFFFAOYSA-N 437.543 0.282 30 20 ICED C#CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 768212465 JUINAPDPMYRDPW-UHFFFAOYSA-N 449.554 0.853 30 20 ICED CC(C)CCN1C(=O)C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 771896659 GBBTYJQVKJDNJT-UHFFFAOYSA-N 433.490 0.159 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776745172 XIARUPPRPNFRSF-XLXLJDDRSA-N 448.545 0.982 30 20 ICED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782633851 AMGAMHASJSOIQA-GTMGWDBPSA-N 435.506 0.175 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 783346603 GNYJCJLZYCCNRJ-CYBMUJFWSA-N 431.536 0.419 30 20 ICED C=CCS(=O)(=O)CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 783618032 JDLYWJSCIDZTTP-UHFFFAOYSA-N 446.547 0.623 30 20 ICED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)n(C)c2n(C)c1=O 789490592 CPNLAZNCNBLCRR-CQSZACIVSA-N 427.848 0.868 30 20 ICED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)N1CCCC1 799271399 PPHCOTHGGLKWOT-UIFJYSFJSA-N 449.533 0.565 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCOCC(F)(F)C2)c1 808958216 XOIKELXNBLMHFW-JCMHNJIXSA-N 444.460 0.932 30 20 ICED CCOC(=O)c1cc(COC)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 813665003 BBGLIWOOMCODFJ-ISLYRVAYSA-N 437.474 0.814 30 20 ICED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 917019694 DKDDJCUSZNVZJT-KYYHFZFISA-N 434.452 0.843 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 917034674 MOKXZIOPBVDGTG-INIZCTEOSA-N 435.440 0.322 30 20 ICED CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918305198 QMNLIUBIUZRMPC-XLNRJJMWSA-N 432.506 0.830 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CSC1=O 918641647 NLSHLJDVPFXACQ-ZDUSSCGKSA-N 438.531 0.951 30 20 ICED C=CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 919989570 NIIGRRGWOGFVQX-CQSZACIVSA-N 425.532 0.707 30 20 ICED C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 920514144 UPIOPLYZZNAEJF-LJQANCHMSA-N 427.442 0.335 30 20 ICED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cn(CC(=O)N(C)C)nn1 920642238 SEIRTCABBHNZDT-AWEZNQCLSA-N 428.449 0.867 30 20 ICED COCCn1cnc2c1c(=O)n(CC(=O)n1ncc(C#N)c1N)c(=O)n2Cc1ccccc1 920767438 PDLRHBRDUYOLFB-UHFFFAOYSA-N 448.443 0.045 30 20 ICED COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1265342562 WUSIISAYVZIGSA-INIZCTEOSA-N 448.907 0.898 30 20 ICED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1296307722 MWJCSGTWCVRURT-UHFFFAOYSA-N 446.537 0.217 30 20 ICED C[S@](=O)CCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318735054 VDSJYLXHWVPZFC-ZQHDKMAOSA-N 431.518 0.286 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C1CCOCC1 1320750669 QQUJPEDUJNMYOJ-HNNXBMFYSA-N 443.547 0.765 30 20 ICED C#CCOCCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1324516136 MEDICNLGBCOKOJ-UHFFFAOYSA-N 429.926 0.881 30 20 ICED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 1463691857 SKYWYWFBYLJKDP-UHFFFAOYSA-N 427.504 0.595 30 20 ICED CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1=O 1501015015 WXUIEILIZFQTOK-UHFFFAOYSA-N 445.549 0.815 30 20 ICED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505318206 ZRELYWMTBMWPRG-MRXNPFEDSA-N 449.558 0.876 30 20 ICED COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555235605 SHCRNRNMXGPHRJ-RHSMWYFYSA-N 441.540 0.752 30 20 ICED CS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1555807292 TWGRUFQTOKXTDK-KRWDZBQOSA-N 441.510 0.835 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1564006561 KWHUTQCQNRJHPW-HXUWFJFHSA-N 430.528 0.935 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC(=O)N1C 1612917844 QHEVVLOJPWYHJS-CQSZACIVSA-N 431.522 0.375 30 20 ICED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1617710324 ZVIGEPRPIPJSPM-MRXNPFEDSA-N 445.505 0.349 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1698059200 UHHFJUGDPWBPFF-MGPUTAFESA-N 429.481 0.832 30 20 ICED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1712704552 IZROGORCRARNMQ-UHFFFAOYSA-N 443.533 0.425 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722556887 SQIXLRUONPOOFE-CABCVRRESA-N 446.961 0.468 30 20 ICED COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730443675 ZYNOJVKYCIIZJS-OAHLLOKOSA-N 443.556 0.939 30 20 ICED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1744696771 NOJCVCVLRDMPIU-KRWDZBQOSA-N 429.550 0.973 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1778726113 NBECQOKWJHNONN-OPAMFIHVSA-N 434.456 0.332 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778900693 UHYHTBXPIXVLDC-KRWDZBQOSA-N 434.415 0.204 30 20 ICED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062883 MCFWHMWRXHXESM-PGRDOPGGSA-N 446.573 0.541 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063399 XLZONYVPQQCNOJ-HSZRJFAPSA-N 440.500 0.323 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779359258 CJJAOVVNOAOOHK-VXCQTLHCSA-N 435.569 0.304 30 20 ICED CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395295 UEQKVWSHJDPNHB-AUSIDOKSSA-N 447.576 0.971 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030610 VEVRJLVPXVZOIO-CXDMEPTKSA-N 446.460 0.783 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1782179027 GDHQCYDBYRKDJZ-HDMKZQKVSA-N 433.596 0.244 30 20 ICED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1785513152 VBYNWVMMYHZDTD-IHPCNDPISA-N 432.480 0.826 30 20 ICED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785685472 OIWWHRZJWOEUDZ-IEZWGBDMSA-N 433.530 0.633 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)OC)C[C@@H]32)c(O)n1 1785774494 CVSBPCFARVDYBB-WBAXXEDZSA-N 446.504 0.855 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787263394 KCUWPTJLNNUMFR-ULQDDVLXSA-N 441.488 0.832 30 20 ICED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1C(F)(F)F 1787644257 FDYCGLYCOHAOSO-SRVKXCTJSA-N 428.367 0.120 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788004060 CKBMJYGQFMJFBD-LAQRGFTBSA-N 427.505 0.896 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788140890 GLODCXZJFVHMOZ-LLDVTBCESA-N 432.546 0.638 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789955244 LRHJVYIJBMEPFU-NRKLIOEPSA-N 425.530 0.475 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1789957151 IOESHZSLWNKDLS-HYUNPYRHSA-N 427.498 0.383 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 1791079549 RCXVOZQFLIFFKT-SNYJDTOOSA-N 427.413 0.676 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791283008 JJMATELBQNMKOC-DKPZLTAXSA-N 435.477 0.294 30 20 ICED 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 1791797015 DRXPMULKNCZAGL-KANFNMMFSA-N 448.564 0.444 30 20 ICED CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)O2)C1 1792527319 DOPMDUMUIJRCFE-KYHPRHEASA-N 448.520 0.658 30 20 ICED 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)C1 1792889490 WBEYNGMWWDZSDN-YETLZGHKSA-N 437.537 0.816 30 20 ICED O=C(CCN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795293112 SFGODYKZZLCHTI-INAUSIBBSA-N 436.553 0.981 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1796456591 YJRCWEGQRBGYGQ-SALMDCRWSA-N 430.480 0.696 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1797783451 SJNVIHGXABUABO-HGKCTWBKSA-N 437.500 0.860 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799082700 OSNCCXTXBWRAJD-CLWJZODNSA-N 427.505 0.435 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2)N1CCN(C)CC1 1799186205 UDISVISOOFTILO-JWVYWZTKSA-N 443.523 0.536 30 20 ICED C[C@@H](NC=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 1799293417 RRWFXGDKIWFWBY-FIUQPQMISA-N 438.406 0.915 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1c(O)cc(O)cc1O 1799658150 AVVPCJYTHBPPEM-USGNIVHTSA-N 444.484 0.705 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800231721 AITHQVUPAVMHPK-ZPKDAYPGSA-N 441.481 0.667 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801765885 VDNOGWCKSUVPGL-XGWLOPGHSA-N 444.488 0.581 30 20 ICED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807112456 KUUZXFUOLALHBK-GHTZIAJQSA-N 428.537 0.910 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807608949 UGZQRKYZHAPALG-AEFFLSMTSA-N 425.497 0.056 30 20 ICED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815211485 KBGJPWCRZKTRKT-SMDDNHRTSA-N 441.452 0.433 30 20 ICED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815324495 XJDHNCMSFABRHF-MNOVXSKESA-N 441.473 0.138 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819448459 RTHZSRSZNKYWEO-IIMJZQEZSA-N 436.513 0.853 30 20 ICED O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1822026675 OKFVQJPTYNWCON-LUJYGJGBSA-N 449.556 0.160 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CS(=O)(=O)CC)CC1 1824463294 VXQQNFPHRXTZRY-CNZFZVQHSA-N 439.578 0.899 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831082561 HLZHCHBJYWJHSB-RXVVDRJESA-N 441.594 0.913 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831405479 CDDIRJMVUTYEMO-OAQYLSRUSA-N 436.509 0.482 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831409136 MAJSDZBJBFNNKN-QFIPXVFZSA-N 443.504 0.782 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831483079 JXWIFYMTRCEBSJ-HKUYNNGSSA-N 431.624 0.446 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1831597126 DKSRRYBPWRCING-GAJHUEQPSA-N 442.516 0.459 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1832161417 VSRBUFXRHXKZTH-UWLGAILDSA-N 447.410 0.468 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246750 MUZIDAJBWHUXLV-INIZCTEOSA-N 436.358 0.211 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1832293670 NXSXSSVKWHFNOH-QFIPXVFZSA-N 428.489 0.497 30 20 ICED CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1832527757 WIDXGSQKSUPOPI-JOCHJYFZSA-N 430.505 0.892 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(OC)nc3)CCO2)C1 1832575728 IKBSXIFDZAXVOG-JPYJTQIMSA-N 445.516 0.518 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833413544 LFLJHYQPWFFNKJ-JOCHJYFZSA-N 439.472 0.870 30 20 ICED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)CS(=O)(=O)CC)CC2)CC1 1833451385 UVDIKLGLKJZNGR-UHFFFAOYSA-N 443.610 0.976 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1833513484 VGMRGVAUDJFHKU-IBGZPJMESA-N 443.479 0.991 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715549 QRVJLJWMFMPRGD-KRWDZBQOSA-N 448.612 0.755 30 20 ICED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834767679 OYXRETWYFDZTIH-LJQANCHMSA-N 440.472 0.315 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835480490 FEZUMXOVZBHVDF-UHFFFAOYSA-N 437.654 0.725 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836158012 AJIFNOGPONYMQL-GSYMPFBVSA-N 446.504 0.610 30 20 ICED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1)C(=O)O 1836258468 MIQQHIJIYFPCKN-FQEVSTJZSA-N 441.532 0.806 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836397484 PUHSQVLXMGSQKT-IERDGZPVSA-N 444.492 0.600 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838095582 WMTBPAYJGDTEIE-NRFANRHFSA-N 432.477 0.364 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1 1838350381 PTOLQCBOVPBUHZ-JOCHJYFZSA-N 437.456 0.741 30 20 ICED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838598147 SFDIIMGOFAFGPI-XOBRGWDASA-N 434.880 0.416 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(O)cc4)C3)C2)c1 1838733075 MTKQYKFBGUXLMK-QFIPXVFZSA-N 440.456 0.741 30 20 ICED COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734958 QNIZINNKZFBSMS-NRFANRHFSA-N 425.445 0.674 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838887793 WCMZUKLGNYPGNN-AOMKIAJQSA-N 432.473 0.509 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1838905972 JNVDLYLCWORNPM-JOCHJYFZSA-N 438.440 0.748 30 20 ICED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)C1 1838952020 WPTBYFMFOBZRRQ-NZQKXSOJSA-N 426.517 0.970 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)nc1)CCO2 1839027965 DZAKZXIVXKFIPG-GOSISDBHSA-N 437.294 0.757 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1839175220 VRYKAJUNOODIAD-KEEVHDRGSA-N 444.550 0.111 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)no1 1839419756 TYOMVEKPILMAKF-OAQYLSRUSA-N 443.435 0.702 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839842710 DRORDZRQWQIDHO-VFNWGFHPSA-N 434.493 0.381 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840158860 RQLXGQJGILBFNA-NOZJJQNGSA-N 432.392 0.116 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840161609 VAQNBSGNNLUUTG-YCRPNKLZSA-N 435.546 0.962 30 20 ICED CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1)c1ccc(O)cc1 1840221751 IVXZRSWNYQKEDR-FPGHNAPASA-N 443.544 0.940 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840364638 KWOSRMHROLIODT-JLHGSKIFSA-N 447.536 0.772 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)c1ccccn1)CCO2 1840498900 GNKQQHBNZPFCFR-PWPXAWQVSA-N 442.516 0.500 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840572558 HADUFNCZRDMHIJ-HXOBKFHXSA-N 426.517 0.945 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840712962 YXUBFCALWAYNNC-AOMKIAJQSA-N 428.489 0.520 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840853304 GZRSQRBITKEOEM-NPPFBWRTSA-N 439.553 0.321 30 20 ICED C=CCC(=O)N1CC2(CCCN2C(=O)Cn2cnc3c(O)nc(NC(=O)C(C)C)nc32)C1 1845884696 NEULZGNAAWEJAI-UHFFFAOYSA-N 441.492 0.906 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC[C@@H]1CCCO1 18759944 ZNTLPWNTOAEAOG-OYHNWAKOSA-N 427.457 0.990 30 20 ICED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 439823314 BJYKDIZQVCZZCH-LBPRGKRZSA-N 427.299 0.920 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)C2)c(F)c1 468803370 DCYLNJSZNRMNBO-CYBMUJFWSA-N 448.480 0.188 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1CC(=O)O 472348799 MOXLTQFUQKXOMX-UHFFFAOYSA-N 433.490 0.747 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 478232895 JBKWWNWRDKBZKM-QGZVFWFLSA-N 428.489 0.885 30 20 ICED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 478753753 MBSQKLDSLPIJEA-RDJZCZTQSA-N 442.541 0.975 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 482808852 LCRZCBKWNMPFDH-BJJXKVORSA-N 428.536 0.059 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 482813519 URFWDOWTLIPHHJ-HUUCEWRRSA-N 439.501 0.624 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(=O)OC)C3)nnc12 487711322 MICCQUJRABPMGE-HNNXBMFYSA-N 443.485 0.723 30 20 ICED CNS(=O)(=O)N1CCC(C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)CC1 505864875 RZGQZKNFTXACKZ-IBGZPJMESA-N 435.550 0.580 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)CC1 505923054 PHBWCCGBDMEDBM-DYESRHJHSA-N 428.537 0.309 30 20 ICED COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 509194755 HFECFCQOZFIRBP-OAHLLOKOSA-N 430.552 0.870 30 20 ICED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 511656472 SQDSUQIAOPDCFM-KRWDZBQOSA-N 426.498 0.818 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(CCCSC)c1=O 512776752 SSHHXGNLCDXFRU-UHFFFAOYSA-N 435.575 0.145 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](COC(F)F)C2)CC1 512850665 KTSVREFEBVIIBQ-HNNXBMFYSA-N 442.488 0.952 30 20 ICED CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1 513980393 SLGDVOSHLKKKTJ-SPLOXXLWSA-N 449.496 0.911 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CNC(C)=O)CC2)cc1 516720907 VCRQTLGNRQEMFF-UHFFFAOYSA-N 436.534 0.806 30 20 ICED COc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1OCC(N)=O 517374316 BESZOYHYWPJFMR-UHFFFAOYSA-N 431.470 0.662 30 20 ICED COc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1OCC(N)=O 517812429 WLZFAVLGCRHZLG-UHFFFAOYSA-N 446.485 0.600 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C)C(=O)N4CCOCC4)CC3)cc2C1=O 518415575 GZRKTTPBIZEHMR-INIZCTEOSA-N 440.500 0.474 30 20 ICED C[C@]1(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 523561742 YCQLGQUDNVMUJW-OAQYLSRUSA-N 440.481 0.844 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C 535650279 JKIJLILFEBUZOH-UHFFFAOYSA-N 449.515 0.722 30 20 ICED CCC(CC)(NC(=O)C1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1)C(N)=O 553334955 JZZRMKHVADAQGN-UHFFFAOYSA-N 449.533 0.029 30 20 ICED N#CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 553758284 CRDCAQBHTUWQAH-LBPRGKRZSA-N 443.323 0.606 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)CC1 559657717 KHHYMIPUHVXJFQ-UHFFFAOYSA-N 425.489 0.232 30 20 ICED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 565446076 ZPCSEORKGXTCAZ-REDKUUPNSA-N 426.473 0.182 30 20 ICED CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 565485020 NFTYZPUPDWFRDB-LBPRGKRZSA-N 435.893 1.229 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2)nc1 587640682 MTWSRMPONWRDSQ-LJQANCHMSA-N 426.521 0.361 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1F 590999572 SPCJVNATOQMCAN-UHFFFAOYSA-N 429.473 0.754 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)C[C@H](C)O1 603581357 OTHNNUCPLZCHAM-IRXDYDNUSA-N 427.571 0.301 30 20 ICED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 606125934 YMDBWBCGDWATBX-GOSISDBHSA-N 438.509 0.940 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 608911016 DEVILZHEMAPQSM-UHFFFAOYSA-N 437.308 0.484 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(N)=O 608911186 PGDDEFMBYPEEQJ-UHFFFAOYSA-N 428.514 0.132 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCOCC 610245097 QEFAWEJHUXXCMZ-UHFFFAOYSA-N 427.526 0.898 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 611114814 FLNUYJDSSQRUDS-UHFFFAOYSA-N 446.479 0.402 30 20 ICED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 611358891 KFBYYRLOFBYTLY-UHFFFAOYSA-N 432.506 0.814 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 675413270 ZNJRLJCAXILSOX-HOTGVXAUSA-N 436.871 0.946 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1C(=O)CNC1=O 731008833 SXOZLCGSBMVLML-CQSZACIVSA-N 435.506 0.342 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742665357 ZPCXNESEEKFZJP-ZYHUDNBSSA-N 432.424 0.783 30 20 ICED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)c[nH]1 753361263 ZCAGQUUIFSFGCM-UHFFFAOYSA-N 426.498 0.921 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 758070781 XRBVYCBHHATEHB-UHFFFAOYSA-N 443.488 0.931 30 20 ICED C[C@@H](CC(=O)OCc1nnnn1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 758498679 WGSHIPZBSGEERB-VIFPVBQESA-N 432.384 0.796 30 20 ICED C=CCc1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 761178483 IWZJCNOQYDRDBR-AWEZNQCLSA-N 440.474 0.602 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cn1 774584032 WPHMRKJLENCVJW-SOUVJXGZSA-N 436.538 0.606 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 784718666 RXRXACMZGOQLEQ-LJQANCHMSA-N 426.498 0.914 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)c1C#N 791172447 AGHMXOHELMLKBT-KRWDZBQOSA-N 436.266 0.890 30 20 ICED C#CCN=c1nc(N2C[C@H](C)O[C@]3(CCOC3)C2)[nH]c(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1 804682220 LUDPRSDFDQAWMO-WOSNLTMFSA-N 444.536 0.107 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCCc1ccncc1 805983309 FEEVQEMMHFMNMI-LSDHHAIUSA-N 430.486 0.911 30 20 ICED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 814573995 VYKJTICPHVZTKU-PKOBYXMFSA-N 449.529 0.976 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 917176927 IIQUTUVZALROQM-UHFFFAOYSA-N 435.527 0.448 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1286961565 VZWCRDPWFMWCOP-IXDOHACOSA-N 441.602 0.985 30 20 ICED C[S@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1316367039 RBWLJVZMZOGYAH-MUWSIPGASA-N 434.547 0.909 30 20 ICED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1517509235 QFLYJVNXJZDFEM-KRWDZBQOSA-N 445.549 0.671 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1761360522 OHWOGPOQBZKKHS-ZACQAIPSSA-N 430.557 0.910 30 20 ICED CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762401993 GKHBZEWUXCLVDX-ZBFHGGJFSA-N 439.586 0.616 30 20 ICED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1766262332 HIXQLOLMXPUVPU-OAHLLOKOSA-N 425.493 0.922 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccccc1=O 1779020632 USJQHPTWJDSSJO-NGNCDXOMSA-N 429.521 0.711 30 20 ICED COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063144 QBQOQMUCBLGKHR-QFIPXVFZSA-N 431.489 0.963 30 20 ICED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779101181 IDEIBIQNTSHAQY-MLKBUXGZSA-N 449.508 0.502 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1779102712 XHIJHZFZSOVQAE-NGPKUFNOSA-N 442.476 0.702 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779106753 UQAHATCZZDWORE-UAOQYHQXSA-N 435.481 0.401 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1781269169 CAPPHPXFKAXNCR-HSZRJFAPSA-N 441.484 0.883 30 20 ICED CN(C)[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(Cl)cc1 1782826590 LRZUGJKQPBXFQI-PZJWPPBQSA-N 433.892 0.861 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@H]31)CCO2 1783056325 UKKBMBKQPOICJN-NHCDEPBKSA-N 447.532 0.722 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1783130752 GFNOCZHAOMKADE-NJNPRVFISA-N 442.472 0.559 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(C#N)c1 1783178803 QJULQMCCGHRILP-QRQCRPRQSA-N 428.489 0.464 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784347997 BZYWRAFRNXSXMZ-AOMKIAJQSA-N 428.537 0.626 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1784483348 RIBYEFRCGDIGKE-OTRWWLKZSA-N 429.452 0.500 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1784740983 TZFPSWLVUSFYOW-FQEVSTJZSA-N 438.933 0.956 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 1786363915 KCVMTOFWXZDVKF-SNRMKQJTSA-N 438.484 0.956 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c(O)n1 1786572875 MVQKVKATQDEBIE-QZHFEQFPSA-N 442.516 0.778 30 20 ICED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)c3cc4n(n3)CCCNC4=O)CCC2)cc1 1791446884 KLEJNIKTXWIQEA-UHFFFAOYSA-N 435.440 0.852 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1793346365 NKYLAPBMRYKZPJ-ZUMXRPEOSA-N 441.444 0.713 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)c1 1793947977 XSOBPDDKBVTFAY-VMRMDKAQSA-N 439.472 0.115 30 20 ICED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)o1 1795792361 WBXGFPKHWVDKTJ-VPTLXERWSA-N 425.445 0.461 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1)c1ccc(O)cc1 1795860532 SPDJRAHEZLGVJA-QSNWEANLSA-N 438.488 0.166 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797812092 NBRSOZSYQWDMOZ-RFQMQIJISA-N 442.476 0.690 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189396 FWNLZCDLCINOPN-JYYAWHABSA-N 425.489 0.914 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F 1799488866 MOADUAJMAJBROA-PKPDMIBBSA-N 446.435 0.796 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799659677 QCFWHIPXNZCACJ-DBWKPXFBSA-N 434.445 0.516 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)c1 1799745126 RPOLZMBYIOBRDC-CWPLJXCYSA-N 432.521 0.949 30 20 ICED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1)C(=O)O 1801763278 ZKNVQKXJBLFLHG-HKAGCZBPSA-N 428.489 0.580 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1803564202 QVAOIPTZVVIPKF-OGWOLHLISA-N 429.477 0.230 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1809774933 GQESBAAWBXZUMZ-IBGZPJMESA-N 435.569 0.150 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@@H]1c1cccnc1 1810522768 TYKDBFWDZUHLDL-JDXIGJDZSA-N 439.516 0.637 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)sc2C1 1817245947 XALROTWZRHQNSR-BIAAXOCRSA-N 449.558 0.896 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N(C)C(C)=O)sc2C1 1817292613 LFEONBKRPPSGPT-BVUBYJHWSA-N 433.534 0.780 30 20 ICED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)n1cnnn1 1819781323 QLVFQCYFFHAURM-HVHIRKTFSA-N 431.526 0.775 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398481 CJMLNIGBAAEXED-WMLDXEAASA-N 441.492 0.084 30 20 ICED O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997144 ALGDSSNBZLCAHM-UXVRIJBLSA-N 446.548 0.969 30 20 ICED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1(O)CCC1 1829740189 KLVNTYXENOQPKH-CVDCTZTESA-N 448.560 0.693 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)oc3C)C2)C1 1829764488 NJUOZKLXSSCXJG-LXHZQTKUSA-N 431.489 0.825 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)CCO2 1830751492 RJASUCTUWPCHSF-PEOGOYOCSA-N 433.505 0.474 30 20 ICED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1831213342 MOPRAWUFJJYCCK-QFIPXVFZSA-N 426.448 0.957 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1831399120 PKWKOUQCFIJNQJ-BXKMTCNYSA-N 440.496 0.924 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1833086791 CZUZOXYLOAZRRX-FFCJBUTOSA-N 429.477 0.360 30 20 ICED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143256 CUYJOPQDAGJSOK-SFHVURJKSA-N 427.615 0.784 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834635027 LNCGGLKYXWBTND-IBGZPJMESA-N 434.581 0.319 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835026136 JHOGFVJSWDYOOI-WZONZLPQSA-N 430.501 0.732 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCO2 1835146502 SYIXHCBFYRXSFP-QFIPXVFZSA-N 448.541 0.720 30 20 ICED COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835341356 YHQUANRLPDDHSQ-QFIPXVFZSA-N 428.489 0.783 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cn4cc(F)ccc4n3)CC2)CC1 1835566531 MZKASXKYFYHGAL-UHFFFAOYSA-N 441.463 0.747 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320371 XZXXRIKNLSRQIC-HNNXBMFYSA-N 444.353 0.760 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc(O)n1 1837443307 DGZUMIHJSXMILP-IGPUNGKJSA-N 445.520 0.637 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837447706 RXXJFFGKVDTQDH-RAJMRQGUSA-N 436.553 0.731 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnc1 1837559713 CLSCNBXRSDOTGZ-LEYRACOBSA-N 429.477 0.613 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC(C)C)CCO2 1837601920 HIZSFFRHHAUUJD-UWJYYQICSA-N 426.510 0.766 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742919 RKUJHKCAMFYMFX-DYESRHJHSA-N 431.493 0.261 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1OC 1838841952 XHXWDYZBXNJESY-YJYMSZOUSA-N 425.507 0.487 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839227822 ZILYLYIDCBGDOB-IERDGZPVSA-N 447.492 0.277 30 20 ICED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1839361012 LQLKGVOEBNPNSL-HSZRJFAPSA-N 435.484 0.855 30 20 ICED COc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1839409440 ZJQRFFLHHNYCPC-QFIPXVFZSA-N 430.457 0.470 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839445678 GFVVNCWPKCXCGW-QJKPHDSHSA-N 445.472 0.026 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839581384 KPNZSWYATAOIGP-OAQYLSRUSA-N 434.562 0.898 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269870 FHQDOWGENDDNAW-SKPFHBQLSA-N 448.560 0.693 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1840713263 JMPAVDRADXBMDF-HFXUHXBXSA-N 440.500 0.662 30 20 ICED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)C(=O)O 1840838324 ZUCGRKDNEQJHCF-HRRBLDAOSA-N 439.465 0.003 30 20 ICED COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840958222 WEZYAGSSISWPGQ-OAQYLSRUSA-N 431.445 0.222 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](C)N3CCN(C)CC3)C2)c(C#N)c1 1845099215 HFHBUOGZMIQHDQ-GOSISDBHSA-N 439.560 0.949 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cc5n(n3)CCNC5=O)C4)c2c1 1845581392 JGMDCQSIBFNAES-UHFFFAOYSA-N 444.455 0.505 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824211 PNRYRXASNJUAHT-UHFFFAOYSA-N 430.465 0.242 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1847082924 STPZKXWRCYVWCA-TWJGEFDFSA-N 434.537 0.382 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(=C/c1ccco1)NC(C)=O 1847262502 RGXLWBPWFBTHNF-LIVYVDHNSA-N 426.473 0.817 30 20 ICED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(C(N)=O)cc1 440380864 HEYOYZBQSAPDEL-UHFFFAOYSA-N 445.460 0.244 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 441958771 VLYKBUUEYAXPPW-HNNXBMFYSA-N 445.516 0.741 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 460579026 STFWMMTXRORFEB-UHFFFAOYSA-N 437.504 1.147 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(COC)cc3)c(=O)n2CC)CC1 461365908 LUZWYPMVICGUBG-UHFFFAOYSA-N 440.569 0.743 30 20 ICED C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461984170 MLXARDVEBRAUAR-PIDWITHXSA-N 426.448 0.897 30 20 ICED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c2)c1 470996960 TUZDFMRYBFNEBZ-WOJBJXKFSA-N 449.463 0.961 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)nc1 474340520 KDFORNZFUZFOPP-UHFFFAOYSA-N 432.505 0.964 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)n1 479392003 BIUSTVZOWDJTBC-UHFFFAOYSA-N 428.539 0.727 30 20 ICED COC(=O)C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 487890612 UUYJAEPKDURRNY-KRWDZBQOSA-N 435.502 0.749 30 20 ICED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497581298 VWDVSTCMOMGZAW-LSDHHAIUSA-N 446.554 0.344 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1C 502055133 UCAKZMHDFMBEHY-UHFFFAOYSA-N 428.333 0.536 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@H]2CCCO2)c1=O 505699690 JZGCIUSLMGPXOJ-HUUCEWRRSA-N 428.514 0.239 30 20 ICED COCCn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 506944115 RJZODEVNGFBKAT-UHFFFAOYSA-N 440.485 0.948 30 20 ICED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)n1 510633656 YMEFOYZHFAMNQL-UHFFFAOYSA-N 443.411 0.283 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O 514228684 IUSVKMCNOCYDHN-CQSZACIVSA-N 440.481 0.980 30 20 ICED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 524282200 VRHDUQZRHXCHAN-UHFFFAOYSA-N 438.534 0.735 30 20 ICED C=CCSc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533056954 KNFUZTVBSSVUND-IAGOWNOFSA-N 425.576 0.991 30 20 ICED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)n(CCC#N)n1 533110463 ZQVCVLACIBOFSG-UHFFFAOYSA-N 444.926 0.853 30 20 ICED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cccc([N+](=O)[O-])c1 533248602 REFJWLQRZWUJQK-UHFFFAOYSA-N 445.520 0.586 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 537490020 UVPBJSYWCALEPQ-UHFFFAOYSA-N 426.495 0.083 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 542072535 LAXUUSMQSIMPQB-CYBMUJFWSA-N 434.453 0.362 30 20 ICED CN(CC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 557611885 SXXBTAQYPSOHDR-KUHUBIRLSA-N 433.490 0.158 30 20 ICED C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559010701 NSQIRPUFCNZKJO-HNNXBMFYSA-N 426.477 0.589 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCOC1 567075098 DLXWOPNUNNPVIM-GFCCVEGCSA-N 448.526 0.944 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 568691777 SNPTXSXELFUYHN-TZIWHRDSSA-N 442.541 0.836 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 574073118 GXSIZBKLHXOKKE-FGSXEWAUSA-N 442.541 0.946 30 20 ICED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 578166049 WGSAKMLZZHCADC-WOJBJXKFSA-N 431.489 0.865 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 588765348 DURQIJUSDCBZKN-INIZCTEOSA-N 435.488 0.862 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 604527844 RCLDLBYNJRYKRZ-UHFFFAOYSA-N 438.400 0.432 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(N)=O 608911501 GTSNMYSEQGYBRZ-UHFFFAOYSA-N 442.541 0.603 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)nc1 608985719 VBRAPUMWFNADAH-UHFFFAOYSA-N 425.537 0.872 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 670899953 VVWMYDOISBYUCB-UHFFFAOYSA-N 429.521 0.466 30 20 ICED CC(=O)N1CCN(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 729316710 QCFHWTOPLNZPJU-SFHVURJKSA-N 449.577 0.420 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H](C)C(=O)N(C)CCC#N 729688656 SONQIHZQSFKNHQ-AWEZNQCLSA-N 439.490 0.633 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(CC)c2)c1=O 732561955 XRUHGGLJCTTXCN-UHFFFAOYSA-N 428.562 0.203 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 733149532 JEKUMTXHUOSWII-UHFFFAOYSA-N 425.489 0.036 30 20 ICED COc1ccc(Br)c(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 762060929 VAGMCZPQRVSSKJ-ZDUSSCGKSA-N 429.292 0.966 30 20 ICED N#Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)cc(N2CCN3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] 763393398 MECLJZBTHGLHNR-LSDHHAIUSA-N 428.405 0.748 30 20 ICED COc1ccc(C(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767677068 QYZQDLZREIVKQY-ZDUSSCGKSA-N 445.453 0.733 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc2c(c1)OCO2 767889542 XWEKORLFSIHKNT-UHFFFAOYSA-N 438.490 0.889 30 20 ICED C#CCCN1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CC1 776595639 ORYPUPJEBKBZHC-UHFFFAOYSA-N 432.502 0.628 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 781911453 XZFIIQYAQPWJLP-MAUKXSAKSA-N 437.456 0.604 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 783453193 LMNMUPQIZXSUQF-UHFFFAOYSA-N 447.451 0.755 30 20 ICED CNS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1O 788167851 VSEBLIGDVRNCDB-UHFFFAOYSA-N 438.487 0.745 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793829471 WJEXCJXGSSAAON-DOTOQJQBSA-N 438.525 0.279 30 20 ICED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 799844112 AUNVIHVYOAJQBP-JGGCIONWSA-N 435.506 0.079 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 800381180 PAVPJJSVBDHQRH-UHFFFAOYSA-N 428.470 0.326 30 20 ICED C#Cc1cc(F)c(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 802550298 UXFUQUNHMCXUMU-UHFFFAOYSA-N 440.406 0.773 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(Cl)cc1F 807328016 GAKKCJRYFQBGCE-INIZCTEOSA-N 435.843 0.867 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2ccnc(N)n2)C1 810769991 FVEBKPDOUNXWRJ-UKRRQHHQSA-N 430.490 0.809 30 20 ICED C[C@H](CC(=O)N1CCC[C@H](n2cc(CO)nn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 818147374 HCPWUBAOSJNUFK-HIFRSBDPSA-N 432.506 0.451 30 20 ICED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918432104 UJQYOZFUGLMGOV-JEEMYIIMSA-N 436.490 0.459 30 20 ICED COCC(COC)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1195112681 LKDYNLKTOYAXGC-IBGZPJMESA-N 435.594 0.736 30 20 ICED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1=O 1473034601 MBOKOAPAZOPEBG-UHFFFAOYSA-N 441.463 0.600 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1541675858 ZSVQIBNNYRHJLQ-RBUKOAKNSA-N 444.584 0.440 30 20 ICED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1691003792 LYPKVGPWTVKATG-ZIAGYGMSSA-N 432.572 0.104 30 20 ICED CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1729214416 VBJXPRHJIGNHFS-KRWDZBQOSA-N 445.549 0.800 30 20 ICED CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1768253500 ITNRYWAUPNXTNQ-INIZCTEOSA-N 429.506 0.680 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777779622 WTKTYVDRMPZCAE-IIBYNOLFSA-N 428.493 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1780008132 HRZIUNHDFKDCQC-HSZRJFAPSA-N 435.436 0.175 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780636799 NBCWSWZJSDPKCQ-GLHSZLCASA-N 434.581 0.175 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3n[nH]c4cc(Cl)ccc34)C2)C1 1780945134 LMLNVQKWRPGKRD-HXUWFJFHSA-N 430.848 0.677 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355864 UBSMCXILSJRQBC-IQUTYRLHSA-N 431.555 0.410 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccnn2)C1 1781546714 VGOWYMNDIFTPOU-XHAXUSEASA-N 430.509 0.211 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c(Cl)c1 1781972401 AZZXCQYOOBHJAK-NRFANRHFSA-N 442.859 0.580 30 20 ICED 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)C1 1783557097 AKOZSHOUMCYZGV-WJONJSRFSA-N 449.504 0.598 30 20 ICED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)cc1 1783626037 NGVZFHMYRWGNTQ-ANULTFPQSA-N 438.528 0.997 30 20 ICED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783888830 CHBBJQLSZWZYOV-LPMFXHHGSA-N 430.571 0.377 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1784157155 YBSKESYCHWGKMH-GAJHUEQPSA-N 428.485 0.884 30 20 ICED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1785424990 FOYRMGDSDPSCDE-JLHGSKIFSA-N 435.521 0.600 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccccc3)[C@H]2C1 1786671014 XOOODZJULLFXIK-LWYYNNOASA-N 428.533 0.982 30 20 ICED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CC1 1786727744 ZERFDDQPMQXVRT-VABKMULXSA-N 438.572 0.655 30 20 ICED Cc1cn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)cnc2s1 1788036431 HFMUFGOBVYYORJ-BPUTZDHNSA-N 441.513 0.962 30 20 ICED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c2c1CCC2 1788600967 NVSVWJNEERQAPQ-ZRRIGXHUSA-N 442.564 0.974 30 20 ICED 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]1CNC(=O)O1 1793651159 BJYMSZVMARJGEL-QRJUGERDSA-N 434.493 0.650 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794675065 KUDQNPAGWKAOPJ-XMTFNYHQSA-N 443.504 0.596 30 20 ICED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](N)c2ccccn2)ccc1F 1795611560 CVYZTQNXAXHCKC-WOSNLTMFSA-N 437.475 0.924 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1)n1cncn1 1796448482 VLCBMEVOZUKYMA-AQBJHWSWSA-N 429.502 0.929 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1797587298 IFUKKSVLCPEFAN-SFNKJDCFSA-N 430.461 0.134 30 20 ICED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742382 SICVJVZKLZHLFM-DQCGCICISA-N 429.525 0.338 30 20 ICED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742955 KYZTZSXXJVRREK-VCLLZTRKSA-N 446.548 0.803 30 20 ICED Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797808941 SABISXIZAURTQC-ATUNPDHRSA-N 433.509 0.619 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642003 NSELVYRVRKYROT-YRPNKDGESA-N 428.489 0.107 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806808614 YSZRQQALJNBXMZ-KAOBVQAUSA-N 425.489 0.224 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@H]1c1cccnc1 1812877946 CDEXLDJUTWYLPR-KSSFIOAISA-N 434.412 0.238 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1819241243 CGPBPPHSFLNNFZ-JCVFDNLISA-N 449.512 0.938 30 20 ICED CN1CCN(C2(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)CC2)CC1 1820797173 CLPUACLHAQVAPW-MRXNPFEDSA-N 428.493 0.270 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1829762726 PEYDOUVTHLRAAR-GSRQWWPUSA-N 444.488 0.019 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)C1 1829906397 YVSLMRWLMQHURT-ZJSXRUAMSA-N 440.544 0.899 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1831390996 CXBOWAJZFLRNOM-SZNDQCEHSA-N 434.468 0.535 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1831438422 QTJIKCCCHAGWCR-UGKGYDQZSA-N 434.537 0.938 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831460164 CCPXJZSPOVECRO-IIBYNOLFSA-N 449.529 0.309 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cn1 1831952606 IKTOJPZLXOJFSS-IERDGZPVSA-N 434.493 0.961 30 20 ICED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832062147 KFZRTYNYJRQEBW-IFPAPICYSA-N 438.525 0.066 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1)C(F)(F)F 1832151011 PYVUOQVFVKZMDQ-CHWSQXEVSA-N 440.312 0.657 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnsn4)CCO3)C2)c1 1833534204 NGERKCHPBGCQIL-IBGZPJMESA-N 431.449 0.933 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c1 1833844246 SAHHMHYYTUXGNR-OAQYLSRUSA-N 440.460 0.079 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)o1 1833902606 HUNMPHJWYIPAKO-LWOHLBADSA-N 445.476 0.523 30 20 ICED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097292 SUWUMTQGPYQQGP-ZJSXRUAMSA-N 425.529 0.979 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836109861 OHYITNZEQVVVQX-APWZRJJASA-N 440.591 0.980 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CN4CCOC4=O)CC3)CC2)c1 1836168663 JHPGGIKYLXDPDD-UHFFFAOYSA-N 428.493 0.524 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836995381 OVEOFMWXEPGDFO-VGSWGCGISA-N 426.473 0.443 30 20 ICED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1837233551 CRNLZXWZZLVUNI-UVDDSOTQSA-N 447.557 0.716 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837286642 GYGSKLXKMIVLRP-GBPOLFSSSA-N 449.548 0.292 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837397040 LTFUKSHRJVQEDE-ZHRRBRCNSA-N 443.504 0.372 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1837429171 SBHPDQDGGAYKRP-HXUWFJFHSA-N 448.600 0.181 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559967 KUYWFKFBAKPCMW-CUDRYGEXSA-N 434.493 0.070 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1838196366 BVQJAGLUDTTXPU-QFIPXVFZSA-N 438.488 0.731 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)c1 1838580936 WQZLNBMNKSDWCZ-HXUWFJFHSA-N 443.485 0.802 30 20 ICED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)c1=O 1838949534 HKUWXVJHUSIYPF-HSZRJFAPSA-N 436.468 0.641 30 20 ICED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949672 PCYJLWBTIKLXJQ-FQEVSTJZSA-N 435.502 0.063 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccno4)C3)C2)c(C#N)c1 1839131469 GIJSAKUCWMRABG-JOCHJYFZSA-N 440.456 0.868 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839215461 SESZKSSJYWPCTL-PGRDOPGGSA-N 426.473 0.249 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839224526 LSHHHQXZGIDUSM-DYESRHJHSA-N 437.541 0.526 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1839809374 ZYAZUGRARHAYOW-QHCPKHFHSA-N 449.467 0.200 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)C(F)(F)F 1839892587 VKQJRWCCKNCTNZ-QGZVFWFLSA-N 431.367 0.681 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840180598 FGLHSZDWCAUHOT-FCHUYYIVSA-N 445.472 0.244 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)cc1 1840498267 ZHBNZLJVZRXFPO-QHCPKHFHSA-N 436.468 0.972 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842841521 QVLLLVVFFYECJB-GOSISDBHSA-N 448.564 0.829 30 20 ICED CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 23700266 BRZZZKGIUAJPTB-GOSISDBHSA-N 448.545 0.666 30 20 ICED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2cc(C#N)ccn2)CC1 29447820 HFOATQHMUARISZ-OAHLLOKOSA-N 440.529 0.700 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 409536123 LJUDAMOPEOWYGE-MRXNPFEDSA-N 444.579 0.665 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1=O 410112588 FYTGHZQIRARUNU-IBGZPJMESA-N 434.562 0.692 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C1 410163655 ZIFLOMQTHTTZKR-BBWFWOEESA-N 448.615 0.445 30 20 ICED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)c1 428265566 IFXDRGOYNLYLQM-UHFFFAOYSA-N 434.499 0.503 30 20 ICED N#CCCn1ncc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1-c1ccccc1 430644586 ZDLZPQVMPUAYAI-OALUTQOASA-N 443.529 0.379 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2C#N)c1 443068805 IDZCSVXOWKQNFQ-LLVKDONJSA-N 440.478 0.911 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 460621396 SIONRMXFMXBMDN-INIZCTEOSA-N 433.476 0.905 30 20 ICED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 465418759 DEDYYUVXLADFDK-NWDGAFQWSA-N 430.433 0.932 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2)c1C#N 472863773 VIVUZXIPTFWCEA-UHFFFAOYSA-N 448.480 0.430 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)C1=O 476244221 ZFZNZFPLFPPJIY-CQSZACIVSA-N 428.445 0.446 30 20 ICED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2=O)cn1 504570731 NKKWGCCZWUJJEW-QGZVFWFLSA-N 439.451 0.001 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 505159973 SHVWTPHUAOSBAU-KRWDZBQOSA-N 446.467 0.999 30 20 ICED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508823090 BMQNWDAAZYGHKB-KRWDZBQOSA-N 444.517 0.935 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)cc1 515702075 UWERZBSEMAMFAB-FCHUYYIVSA-N 439.560 0.696 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)c3)CC2)cc1 518069911 MGKYRUATJGVHCQ-UHFFFAOYSA-N 441.469 0.129 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1=O 519108513 LKNVRWYZGAQHNQ-UHFFFAOYSA-N 432.864 0.991 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1cnn(CC)c1 523182290 DLHHTAQOQKEJKG-UHFFFAOYSA-N 435.509 0.929 30 20 ICED COC(=O)CN(CCN1CCOCC1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539453143 LRTFOQDDVYWNEF-GOSISDBHSA-N 449.577 0.264 30 20 ICED COc1cc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1C 547799999 NPDCHOXSRVSNCO-UHFFFAOYSA-N 425.405 0.836 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 553697278 SUNSRVBKXOAKGO-UHFFFAOYSA-N 429.521 0.940 30 20 ICED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)C2)c(F)c1 557612452 BLJZFYBNTUOHML-AWEZNQCLSA-N 433.469 0.175 30 20 ICED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 559011614 BZQAEGHLZOXGJG-DLBZAZTESA-N 432.525 0.459 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCN(c5cnccc5C#N)CC4)CC3)ncnc21 559259196 LIYWPEZCZONYAA-UHFFFAOYSA-N 446.519 0.101 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 571930999 RCMLXAQVPOWIPZ-UHFFFAOYSA-N 448.467 0.950 30 20 ICED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nn1 580745435 ONPYPIABSMLXAQ-UHFFFAOYSA-N 435.400 0.879 30 20 ICED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)CN1CCOCC1 584546188 NAYYMNKYGWJHPU-FUHWJXTLSA-N 431.512 0.867 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434486 XFVGOYXGQKDMHI-UHFFFAOYSA-N 430.442 0.154 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 607679472 YKEIWIKDTZMQOE-UHFFFAOYSA-N 434.522 0.278 30 20 ICED Cc1nc(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n(-c2ccc(C#N)cc2)[nH]1 610112294 DHXIVHJHOKJBQY-UHFFFAOYSA-N 442.457 0.736 30 20 ICED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CCN2C1=O 611430310 WXMCCBVLZIVUPK-HZPDHXFCSA-N 430.534 0.425 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 728531869 UNMNGOLVQFWCHD-UHFFFAOYSA-N 425.489 0.962 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 728573086 KBSPFYHTJXPORT-IBGZPJMESA-N 426.517 0.488 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCS(C)(=O)=O)c2=O)cn1 729671413 LXLVUZAPMLCINW-UHFFFAOYSA-N 436.559 0.196 30 20 ICED CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 730322605 PSCSWIUZMAGDOE-OAHLLOKOSA-N 435.506 0.748 30 20 ICED CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733350918 ZCPPBIASHBVGRV-UHFFFAOYSA-N 442.563 0.787 30 20 ICED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742674030 FZUGJETVWAURAJ-QWHCGFSZSA-N 428.536 0.044 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)n(C)c1=O 744602099 IPLPRAGAIIEFKF-UHFFFAOYSA-N 435.400 0.489 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 748334075 XUFNQCQOQAMKOM-MRVPVSSYSA-N 434.268 0.654 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1=O 748559934 OICAGPORVYZFFO-UHFFFAOYSA-N 438.444 0.358 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 750750176 JDPDKHHWGCTMGZ-INIZCTEOSA-N 429.502 0.372 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCOC2)C1=O 751688809 LEXJZTXEJAXZJG-POUSTFRKSA-N 426.520 0.059 30 20 ICED COc1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)ccc1S(=O)(=O)N(C)C 757162602 CSYDUJHIJRGFFX-UHFFFAOYSA-N 446.489 0.379 30 20 ICED N#C[C@@H](C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccncn1 760356523 HWSQTVCBIGVWDO-QGZVFWFLSA-N 427.486 0.966 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 761024468 OFRRUYTYWXAPME-UHFFFAOYSA-N 436.553 0.839 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 768734384 MERKDQMDNOGNSL-IBGZPJMESA-N 425.507 0.714 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 771240146 FNUWCNNOWKCAEY-AWEZNQCLSA-N 437.435 0.951 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 783478209 BEENETWQTLSDEQ-LNLFQRSKSA-N 447.557 0.883 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 784924697 QTBRBDVXPQTHMW-UHFFFAOYSA-N 430.530 0.436 30 20 ICED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 785518582 VCNDULHXQJIFLC-CQSZACIVSA-N 441.937 0.961 30 20 ICED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)nc2c1c(=O)n(C)c(=O)n2C 786564076 OONHNYRMGQQYNC-CYBMUJFWSA-N 441.394 0.858 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1 795325418 YCRDNFWDIDHSOG-ZDUSSCGKSA-N 447.391 0.502 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)[C@@H]1CCCO1 809305770 JJHBRGSDMKQKII-ICSRJNTNSA-N 428.533 0.573 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250753 YPXISKOIXWAQFW-LLVKDONJSA-N 437.472 0.360 30 20 ICED CCn1c(CCC(=O)N[C@@H]2CCCN(O)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 816756079 PIJYYDMAIIDCDH-CQSZACIVSA-N 437.522 0.736 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 888560904 FKIWGNBMOFZCBJ-ZDUSSCGKSA-N 448.501 0.791 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(=O)(=O)N(C)C 915777215 CGBDZPAHYFXHBI-UHFFFAOYSA-N 430.490 0.679 30 20 ICED N#CCc1ccc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 921250057 HSQBHQUPMWIGTI-HNNXBMFYSA-N 432.458 0.400 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 1116473987 UQBZTJNZZOIXFC-HXUWFJFHSA-N 446.596 0.115 30 20 ICED Cc1nn(CCC(=O)N2CCOC[C@@H]2C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1C#N 1116501352 AGUCBXIRXMKVSY-ROUUACIJSA-N 428.493 0.325 30 20 ICED CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1302210723 PUDXDQZZEMCWQV-SCLBCKFNSA-N 426.518 0.927 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCOC1 1340952252 QANKZDQWCJRKQA-HNNXBMFYSA-N 441.557 0.703 30 20 ICED CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1499782237 LLDSPQWJZDRRGR-INIZCTEOSA-N 434.522 0.893 30 20 ICED C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507784023 ZHMLNBDPBGJHSS-UHFFFAOYSA-N 447.301 0.517 30 20 ICED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)n(C)n1 1511661625 VSJPZFHAESNYTL-XJKSGUPXSA-N 436.542 0.297 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1517125337 NYOGVEKBUWKUDR-PXNSSMCTSA-N 431.518 0.840 30 20 ICED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1556824091 UREAQFOPPFZBMK-RVSPLBMKSA-N 436.515 0.722 30 20 ICED CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1611646172 URDYOMLPGIUQHV-CHWSQXEVSA-N 434.469 0.385 30 20 ICED N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c(=O)nc1O 1638490346 YZGBDGSHAIVBQN-CYBMUJFWSA-N 435.278 0.941 30 20 ICED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1664189102 MGCIUULUKIFUNK-UHFFFAOYSA-N 443.258 0.615 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)C1 1692843473 IVIJQNAOYSEPSF-NRFANRHFSA-N 438.492 0.914 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)n1 1693431700 SRKRWFUBEPLPBZ-KRWDZBQOSA-N 433.538 0.693 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1OC 1697381236 ILOSEYBRLQOGQY-CQSZACIVSA-N 436.494 0.240 30 20 ICED COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1730422318 WXDHBSYRTLJWMI-IBGZPJMESA-N 440.504 0.964 30 20 ICED 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20 ICED COC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)/C=N/N4CCCCC4)CC3)CC2)CC1 1835732678 WCJGENTZCXRMGD-JJIBRWJFSA-N 447.580 0.983 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835867235 SHCQQQPDWOGRNI-CQSZACIVSA-N 432.481 0.541 30 20 ICED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835913127 UHJUZCZWAXIKKE-UGKGYDQZSA-N 430.505 0.635 30 20 ICED COc1ccc2oc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC(=O)O)C4)C3)cc2c1 1836821898 HMUIEHZQFNXDAY-QFIPXVFZSA-N 442.424 0.599 30 20 ICED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1Cl 1837363772 JYDIXZUABWTBDS-HXUWFJFHSA-N 445.863 0.158 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837403993 YHTNQGPFRFDIRB-AVRDEDQJSA-N 434.489 0.741 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837497491 VKKOAPOPCJBZFU-XXBNENTESA-N 434.533 0.568 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS[C@@H]3CCCCO3)CCO2)C1 1837501541 LWHBKDBNGKWMKP-YFVAEKQCSA-N 440.562 0.741 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837564166 AHZLDTIHWRMYFD-OJJSKHJLSA-N 447.879 0.912 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838110647 CIZBFBPHNNFUSJ-NRFANRHFSA-N 442.428 0.401 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)c1 1838730864 KIVHQYCNYDZERZ-LJQANCHMSA-N 429.389 0.771 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741983 KNTPTTYUUAXKSS-JOCHJYFZSA-N 440.504 0.549 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222647 UZVGELQHZGJVTD-QINHECLXSA-N 426.514 0.158 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)C2)C1 1839810809 SUMYFBRRYQKKRA-QQSSDERHSA-N 447.532 0.864 30 20 ICED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839840095 WPXKJQMLKUVRIO-VGSWGCGISA-N 432.521 0.803 30 20 ICED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1)C(F)(F)F 1839895124 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CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444503559 DQNAMVASZCIXPF-UHFFFAOYSA-N 432.506 1.128 30 20 ICED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 447447354 CPWGYPWEEIFRCK-KBPBESRZSA-N 427.404 0.971 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 460620462 SIBIJHGRTZMKLZ-MRXNPFEDSA-N 431.460 0.961 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 461606221 FTZFNFAYDSZTIJ-NSHDSACASA-N 429.458 0.760 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccccn2)CC1 480113900 XPUYPYFXYWQMQR-OAHLLOKOSA-N 427.486 0.605 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1cnn(CC)c1 480957532 VKRVKUIOWSXNKI-UHFFFAOYSA-N 439.497 0.660 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)NCC1CCC1 482157623 MLLHMGIJYMQCHZ-CYBMUJFWSA-N 428.536 0.061 30 20 ICED C=C(C)Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1 489404772 PJIVKDQQYYEOIN-UHFFFAOYSA-N 427.490 0.871 30 20 ICED CCn1c(Cn2c(N)nc(C#N)c2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 490145933 XBOLHWMZFZQNMP-UHFFFAOYSA-N 440.489 0.647 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1cccs1 498147288 TXQVXFFEZKETHW-UHFFFAOYSA-N 438.534 0.776 30 20 ICED CN(C)CCCN(CCC#N)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 500203891 AQZILMCVOLKQBM-ROUUACIJSA-N 441.532 0.716 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccc(OC)cc1 502014322 CCQAXWRJJAGCGX-UHFFFAOYSA-N 449.536 0.700 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 503302722 BXCYWQVDLYHFIC-FQEVSTJZSA-N 449.511 0.912 30 20 ICED COCCOC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 514409950 MAISMDUOEAKXGJ-IEBWSBKVSA-N 428.489 0.681 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)c2)c1=O 514646322 VJUMXOQQFBZSNH-UHFFFAOYSA-N 438.553 0.772 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 515076258 PJDFIDQZAUVLGX-UHFFFAOYSA-N 437.500 0.939 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1Cc1ccon1 531939325 PJDLBJJARYDBIN-UHFFFAOYSA-N 440.481 0.220 30 20 ICED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 537289765 JFHQJTQPMLWMSJ-MOPGFXCFSA-N 437.541 0.548 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)nn1 546816323 NYYSGNURINJDAE-UHFFFAOYSA-N 446.489 0.652 30 20 ICED COc1ccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 550306859 LCCJDBXKXXSIHW-UHFFFAOYSA-N 440.504 0.625 30 20 ICED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 559821784 VZBFNFPLMBTYRK-FQEVSTJZSA-N 437.500 0.960 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CCCSC 609333567 KZCOLQJECODPQD-UHFFFAOYSA-N 447.582 0.937 30 20 ICED Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n([C@@H]2CCS(=O)(=O)C2)n1 610697998 ZXCKHJFAJAYGFL-HUUCEWRRSA-N 444.521 0.955 30 20 ICED C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 728719197 QPUBIHITLXEUCY-NOLJZWGESA-N 443.909 0.768 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 729281846 QEIWTZNAJHPZEG-UHFFFAOYSA-N 441.351 0.524 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCS(C)(=O)=O 729672779 HXYIATZGCBWNOE-UHFFFAOYSA-N 449.510 0.591 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C\C2CCOCC2)CC1 732693062 NQBVMVHPVCJHRS-WAYWQWQTSA-N 447.513 0.917 30 20 ICED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 752881004 LEOAYKIODLUWKU-KBPBESRZSA-N 449.533 0.763 30 20 ICED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)c1=O 756942223 BIYWHWHYAMCNSV-GOSISDBHSA-N 442.497 0.862 30 20 ICED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 758643175 HCVKNLYYVWFNAF-WFASDCNBSA-N 444.535 0.632 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCOCC1 767399985 XYTRUAAMPXOOJX-UHFFFAOYSA-N 432.452 0.772 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(=O)(=O)c1ccccc1 767678941 ZMYOVZCILAMSQC-AWEZNQCLSA-N 437.499 0.747 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770659544 ZGSGVZUQUQYRLS-UHFFFAOYSA-N 428.426 0.806 30 20 ICED Cc1nn(Cc2ccccc2)c(C)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897854 SUTLBVVWZZXCEI-UHFFFAOYSA-N 430.490 0.258 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 774350247 OCXQUUZNRPLDEG-AUUYWEPGSA-N 440.522 0.646 30 20 ICED C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1CCCO1 776226619 UGDAMXKJHOLMJZ-MSOLQXFVSA-N 434.518 0.875 30 20 ICED C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785205499 MCNZTOXHVFTQPC-MKQRXOJPSA-N 442.563 0.663 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(Br)nc1OC)[C@@H]1CCS(=O)(=O)C1 789590518 SSOYLFLXJSORBD-SNVBAGLBSA-N 430.280 0.440 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799382216 IJJGDJSEWKCAFN-UHFFFAOYSA-N 427.907 0.657 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 800078436 AWUUVUOBZLKJRB-CQSZACIVSA-N 431.536 0.590 30 20 ICED C#CCCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 806914480 WJFQSMIUCHYNMF-UHFFFAOYSA-N 428.514 0.987 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812276696 MESCAWBEAZVFFR-UHFFFAOYSA-N 425.461 0.257 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813983071 GMOJCNWHBBJSPG-CQSZACIVSA-N 437.478 0.274 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@@H](C)N1C 815862523 GTYZOOKSOXTQQF-KCWIRBQFSA-N 435.550 0.989 30 20 ICED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815871754 UCOHZPNLICEDEN-KDCJFMNISA-N 435.550 0.991 30 20 ICED CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 853664620 RUBJWRWCQVJCFW-ZDUSSCGKSA-N 444.469 0.767 30 20 ICED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 912530578 PECMQDLBDAUQGX-UHFFFAOYSA-N 432.418 0.827 30 20 ICED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 913731358 FNTFBNGQJRAIJE-JSGCOSHPSA-N 439.490 0.361 30 20 ICED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918268580 FTCWJLTVSAFKQH-GOSISDBHSA-N 436.472 0.802 30 20 ICED NC(=O)[C@]1(c2ccccc2)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1451486767 OOBZUHQHEBMPNC-OAQYLSRUSA-N 426.498 0.771 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1503834347 ZKCQYHATCVCFID-CQSZACIVSA-N 436.494 0.240 30 20 ICED CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1509752509 JOOVTYCVTTVXMZ-AWEZNQCLSA-N 436.476 0.445 30 20 ICED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)CC1 1559897580 RPDVOSSLUYUNBJ-NUJGCVRESA-N 438.575 0.345 30 20 ICED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1612598375 JFNLLZHZYFXDGX-UHFFFAOYSA-N 431.522 0.120 30 20 ICED N#CCC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1658029486 WEOYYPFESFZLBD-UHFFFAOYSA-N 449.533 0.800 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1711419871 MOHDKOHKYBOPJL-UHFFFAOYSA-N 433.494 0.254 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncn(C)n1 1723909695 IQXHBXWWZWCSQZ-CYBMUJFWSA-N 429.510 0.573 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1724012509 XWYMTSZMHIHTRM-UXHICEINSA-N 430.534 0.944 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(OCC(N)=O)c1 1742835872 RTUBSPXBAZTGRV-OAHLLOKOSA-N 447.503 0.876 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777955365 DBBXSJCTQQEOCI-ZDPZECHZSA-N 441.488 0.601 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1778822806 HTVLFYFTEHFKBV-IIMAJNMQSA-N 433.530 0.926 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1778971216 JOFILARCZXFIBN-YCRPNKLZSA-N 446.529 0.773 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779104766 NWNHWZUUEDYHOU-IXHNDJBVSA-N 438.525 0.068 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1779318352 JZEWLSJDFYUTJX-UGKGYDQZSA-N 446.479 0.221 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362646 LZEUOGLXRRTNJI-WNQABQSNSA-N 435.569 0.839 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781108463 FSHZHMYGKXMIGQ-XMSQKQJNSA-N 434.581 0.169 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1782015266 HOKCXYQPDUKIOR-OXQOHEQNSA-N 431.401 0.516 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783440993 IDTYIWBQAQDWOX-FHWLQOOXSA-N 433.530 0.515 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1783785919 KCRFMEFBSDPUGK-LJQANCHMSA-N 433.442 0.605 30 20 ICED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2)C1 1783900627 JDFLJGGZVZQKNP-LIRRHRJNSA-N 431.555 0.676 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1784495132 WRZUBGBSMHHIET-ULQDDVLXSA-N 428.493 0.700 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786366097 FJETWBMWEIEPST-QAETUUGQSA-N 436.509 0.516 30 20 ICED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1786560230 YFDSJUXOHCITOV-WFXMLNOXSA-N 447.495 0.272 30 20 ICED CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)CC1 1786857462 NWFBZYAYEPJMMS-UFYCRDLUSA-N 433.597 0.980 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cccn4)[C@H]3C2)c(C#N)c1 1787103477 QDROLDBUKNOXNV-YYWHXJBOSA-N 437.500 0.986 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659632 QYTJXDMSKBSPJN-MTGHILKGSA-N 438.525 0.362 30 20 ICED O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791556567 RTWPNONUXHAIFD-BZSNNMDCSA-N 425.514 0.928 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1793362253 WPKKKKDZIFFFIM-LWASTNQWSA-N 429.517 0.986 30 20 ICED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797249004 XYFMGNJQCVJUAQ-ADYITMSISA-N 425.529 0.890 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797705323 QOCDFTGQDOZVOJ-OWLYRPNTSA-N 427.567 0.887 30 20 ICED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1798472087 ZKEIJMWQTABKJS-NIWVWWPQSA-N 433.461 0.832 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1799303989 GTOKUSYITGNMBM-HGKCTWBKSA-N 427.461 0.442 30 20 ICED CC(=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 1800907665 GCOIMWHHJWZKGL-LXTVHRRPSA-N 443.566 0.767 30 20 ICED 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)S 1800985940 REHKYGCQZKMKDI-RMEBNNNOSA-N 431.555 0.434 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1801893225 HJZULXSNNVHSFE-GYPCDKMWSA-N 431.489 0.970 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803447063 DTPJDWLXIMTOIL-ZTNFWEORSA-N 432.546 0.829 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCN(C)C(C)=O)[C@@H]1c1cccnc1 1804062735 SLOJRUYUZGXQNL-AAZQJQCHSA-N 441.532 0.814 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808273691 FFGOSHRSBXVBPF-KMFMINBZSA-N 425.445 0.641 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810287615 CKCIMMPKCOQWRZ-ABBJXMLUSA-N 426.521 0.695 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1 1813097862 ZHTFDLTUGKQXMO-FRFSOERESA-N 440.422 0.804 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1814063383 DYXXSHZBGJIYSE-IHFIDZABSA-N 449.511 0.761 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCc4nc(NC(=O)Cn5cnnn5)sc4C3)c2c1 1815686953 NDVPEPGAUBONMA-LLVKDONJSA-N 448.472 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1829769473 UTJGEIJJXOPWID-XQQSMPNESA-N 449.895 0.058 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831951141 HOBAFJVNLMGMJD-VGOFRKELSA-N 433.505 0.733 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833040702 VAMUUPISYSCAOT-NQIIRXRSSA-N 435.525 0.757 30 20 ICED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1 1835345506 NJLVAZUQDGNVBX-NRFANRHFSA-N 436.509 0.660 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835767516 CDTPDLASSGJHIN-ZRZKVNLTSA-N 449.552 0.366 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836178608 SYCSVSOCXROTSA-QHCPKHFHSA-N 443.548 0.752 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836182891 USSQZFMZXGRPMG-QHCPKHFHSA-N 445.516 0.980 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc5c4NC(=O)C5=O)CCO3)C2)C1 1837134129 DGWMBNOZLNFARD-HSZRJFAPSA-N 439.468 0.858 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1837399220 OIEBPTDHTRFSEE-STSQHVNTSA-N 446.548 0.912 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837493601 MJMGCAZDLDVORG-YOSAUDMPSA-N 448.560 0.693 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837700581 TUHOMXGTKVVPJJ-KSFYIVLOSA-N 426.473 0.319 30 20 ICED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838550966 JNBJPBMBDNNLJD-UHFFFAOYSA-N 446.577 0.983 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)c1 1838735906 BBLFPNLENANPCM-AVRDEDQJSA-N 438.488 0.441 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839228828 QFVPJIMXCJLEOV-IKVWTGGYSA-N 425.526 0.795 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1839422221 JKQHRALURPCHTR-KSFYIVLOSA-N 444.463 0.294 30 20 ICED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1O 1839472760 ORVYBUSVNUAWJH-JOCHJYFZSA-N 442.472 0.724 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)C2)C1 1839810545 CVJGOCWBWJODQM-QHCPKHFHSA-N 447.532 0.723 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)C2)C1 1839811959 YTRHGUHDYIVODE-NRVIRDBHSA-N 433.505 0.474 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1839874990 OKNXRILGWFOODT-ZDWFVDTJSA-N 440.500 0.520 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840162420 WTNPSFUSAZIIAT-IIBYNOLFSA-N 438.546 0.836 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840291696 AIRDVSQURRQEKZ-FQEVSTJZSA-N 433.465 0.441 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840324494 TZTAQXZLTNRBKT-NRFANRHFSA-N 432.525 0.081 30 20 ICED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818911 FJAZUSITKPTRSP-JOCHJYFZSA-N 439.472 0.441 30 20 ICED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)cc1 1843130531 GHWZIXVYZATYGM-UHFFFAOYSA-N 425.470 0.841 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224259 XNXCBRXUEUDCDX-OAHLLOKOSA-N 445.520 0.763 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1844284165 DSHNXKGBUQQDFN-IBGZPJMESA-N 427.457 0.799 30 20 ICED COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 426682655 KKJVISIOROXQRY-UHFFFAOYSA-N 448.483 0.776 30 20 ICED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 439858477 SEIQHZYRPHXUDC-UHFFFAOYSA-N 426.271 0.038 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)s1 441937271 QWDQRXHDMRJAIZ-OAHLLOKOSA-N 445.566 0.678 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C[C@@H](C)O)CC3)nnc12 444382303 KSYADMZUEAOITG-OAHLLOKOSA-N 442.545 0.847 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446525244 YGKZKTTVLWFOAE-OAHLLOKOSA-N 444.469 0.692 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463384973 PCJNQUAACHJDGM-HZPDHXFCSA-N 428.536 0.469 30 20 ICED Cn1nccc1N1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1=O 479236089 RUNBYDRXBNRTRG-JKXTWKSPSA-N 433.472 0.971 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480959207 JBGDYDXYMFQLLW-UHFFFAOYSA-N 428.445 0.351 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 488990588 WJCRSQDRCSQKAO-MRXNPFEDSA-N 449.488 0.990 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F 500936850 CJGKUIAYWAHHRE-UHFFFAOYSA-N 441.506 0.930 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 505709858 XSBXUGWYLLHUHW-UHFFFAOYSA-N 429.502 0.870 30 20 ICED CN(CCCNC(=O)CN1CCC(Oc2ccc(C#N)cc2F)CC1)S(C)(=O)=O 512800355 ALRSGRIDPXVOOO-UHFFFAOYSA-N 426.514 0.938 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513758602 DZYJNCWRWIZHCX-LBPRGKRZSA-N 434.453 0.362 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 518770799 HPNUCFYIDAMMSM-UHFFFAOYSA-N 432.546 0.630 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 535828399 SEAXGSAKXOXILB-PXAZEXFGSA-N 441.469 0.614 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540552772 IDWQDLSRFXXSNS-RBUKOAKNSA-N 444.605 0.695 30 20 ICED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3c(C#N)cnc4ccccc34)CC1)CC2 553286066 GGRAJECAJQXVSQ-QGZVFWFLSA-N 444.499 0.786 30 20 ICED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 559510275 CQVJKZKCMZFQPM-IAGOWNOFSA-N 428.537 0.606 30 20 ICED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 561737402 TXDJBUCWSXCQCK-QGZVFWFLSA-N 435.554 0.446 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)CC2)nc1 566073526 GTPWKUFJUSYWNG-VQTJNVASSA-N 440.548 0.486 30 20 ICED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579045228 KTPCFUHOZOBCSE-KGLIPLIRSA-N 445.505 0.302 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)CC2)n1 579634735 MTYBCFXTFWCOEY-OAQYLSRUSA-N 448.527 0.485 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 590046830 RFWQDJZRAVBFRX-UHFFFAOYSA-N 431.474 0.530 30 20 ICED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 590216308 XNHOZRULEOOJLJ-UHFFFAOYSA-N 427.552 0.806 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C#N 590226730 GLMGIUVIMRNHOE-UHFFFAOYSA-N 441.579 0.549 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)C1=O 604567750 DZOJPPRHUZSDQC-ZDUSSCGKSA-N 438.234 0.756 30 20 ICED CN(CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)S(C)(=O)=O 611869241 QOHJPFKQECNIFR-UHFFFAOYSA-N 438.897 0.734 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O 617838904 MWAGDNIOJUYAHX-UHFFFAOYSA-N 445.501 0.172 30 20 ICED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 619716190 ZCEHPQJIIXMNJF-ZDUSSCGKSA-N 429.882 0.705 30 20 ICED C=CCn1c(Cc2noc(-c3ccc(C)c(S(N)(=O)=O)c3)n2)nnc1N1CCOCC1 685260678 YYIMTBHAWNZQJN-UHFFFAOYSA-N 445.505 0.897 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 728573227 LUAWNRYVYFTPIZ-HNNXBMFYSA-N 446.573 0.965 30 20 ICED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)CNC1=O 731008985 ZBSNYEFMYLTQLU-UHFFFAOYSA-N 435.506 0.344 30 20 ICED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 732466408 NGDOMVLOTDRBML-MKSIGINJSA-N 427.505 0.756 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 735593810 JYHQLUIAAPEUFQ-IAGOWNOFSA-N 436.534 0.411 30 20 ICED Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 737098500 XABRRPRSVGEWLX-UHFFFAOYSA-N 436.472 0.901 30 20 ICED C#CCN1CCN(C(=O)CN2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)CC1 748817219 YESDHVAXMQHWDT-OAQYLSRUSA-N 432.952 0.949 30 20 ICED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC#N)cn1C 750620159 LJDBRJDSMHBVHY-UHFFFAOYSA-N 437.503 0.804 30 20 ICED O=C1C(=NN[C@@H]2CCS(=O)(=O)C2)c2cc(Br)ccc2N1Cc1ncon1 750910214 JOZWLEZPQLRVCQ-SNVBAGLBSA-N 440.279 0.860 30 20 ICED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 756304014 CQWARPIEHIYSIG-UHFFFAOYSA-N 439.446 0.011 30 20 ICED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C(C)C)s2)c1=O 758562706 UTMRTNOHMSEPGK-UHFFFAOYSA-N 448.570 0.498 30 20 ICED Cc1nc(/C=C\c2cn(CC(=O)O)nn2)sc1C(=O)/C=C\c1cn(CC(=O)O)nn1 759075521 HOWOWQROXJJDAB-JVLMNHKTSA-N 429.418 0.870 30 20 ICED C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763029443 KZPQTZPFRSYIFV-CYBMUJFWSA-N 428.470 0.454 30 20 ICED CS(=O)(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc21 763697516 CIVVABNGFKNBGX-UHFFFAOYSA-N 448.526 0.534 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@@H]1CCCO1 773794269 LMISECWTGXGOAD-PMACEKPBSA-N 426.517 0.629 30 20 ICED COC(=O)CCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 775577568 ZQFPRLGYKYEJRJ-GJZGRUSLSA-N 436.534 0.600 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782909559 YAVAVCJHCSKADB-HZPDHXFCSA-N 438.477 0.971 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 783246141 ZTTNQSPDBDGFNH-UHFFFAOYSA-N 425.420 0.619 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(=O)N(C)C 790426522 VCTIWHQJXPHYHJ-UHFFFAOYSA-N 436.946 0.518 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 799672515 BQHNIWPKWYEYDY-UHFFFAOYSA-N 428.461 0.414 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCCO[C@H](C)C#N)ccc2F)CC1 801865943 JZQNJOZCUQDCOQ-CYBMUJFWSA-N 427.454 0.764 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 808218660 XXNGAFNXUUIHCV-HXUWFJFHSA-N 446.511 0.909 30 20 ICED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 810391633 ITYPJYMEBDOKDM-CQSZACIVSA-N 427.324 0.926 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 813443297 ZHCZSDWZKOGGFO-UHFFFAOYSA-N 447.557 0.293 30 20 ICED CCN1C[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919082652 HRTRFTURGQVFCG-CQSZACIVSA-N 441.444 0.866 30 20 ICED CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1286868597 NYQNIOIAZCCVLR-QFIPXVFZSA-N 440.504 0.939 30 20 ICED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1304906026 QGGBXMICCVKBJK-HOCLYGCPSA-N 428.518 0.918 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1326308041 KEGLUTSVESDXQL-IEBWSBKVSA-N 448.545 0.810 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 1503833625 PHANBUPIEAGQLL-GOSISDBHSA-N 438.485 0.953 30 20 ICED N#Cc1cn(CCC(=O)NCc2cccc(OCCN3CCOCC3)c2)c(=O)nc1O 1542348704 MISGSSOORJYAFT-UHFFFAOYSA-N 427.461 0.238 30 20 ICED Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)n[nH]1 1542945561 NGQHRHLLDYKQKM-UHFFFAOYSA-N 426.506 0.967 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCn1cncn1 1692768273 MBFLXWDOECZCET-AWEZNQCLSA-N 429.510 0.688 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCC1 1723951694 BWRCWHFSVRRMKR-RDJZCZTQSA-N 436.586 0.161 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)N1CCOCC1 1741905637 UQPWWBDQSAVBDZ-GJZGRUSLSA-N 427.575 0.737 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1746685759 PQMLTEFDXOQUSI-SFHVURJKSA-N 426.543 0.609 30 20 ICED CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 1751279314 YUHBBJUZPLSYOS-OAHLLOKOSA-N 438.554 0.778 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777863828 DXFFVMLCCCRBPC-QMHKHESXSA-N 442.516 0.912 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740375 SEUBMDBBLYGQJJ-HSZRJFAPSA-N 437.500 0.871 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1778954923 QNOHRNSQERJWQM-OYHNWAKOSA-N 443.504 0.718 30 20 ICED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779063246 VDJBXQBVPOANCG-QFIPXVFZSA-N 428.489 0.627 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779065567 XEGXDRWBUWTTSX-HSZRJFAPSA-N 437.500 0.871 30 20 ICED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779691327 CQESZTDHABHIBH-AVBTWRTFSA-N 432.477 0.893 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781056073 YYVLOWFTTBDROM-RVEDCGPMSA-N 445.564 0.689 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793935 XMWKORSRCCFQCZ-AOMKIAJQSA-N 427.505 0.904 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c1 1782056719 JTNCZNKGYYYGMS-JOCHJYFZSA-N 447.455 0.355 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1785376507 UTAAJBJCMVQSOU-JOCHJYFZSA-N 437.456 0.879 30 20 ICED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)cnc2s1 1786702721 JHZZAEQOXRSWPV-BPUTZDHNSA-N 429.502 0.962 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1788661291 JTMRPVJULDFOKY-UTLXEPKTSA-N 446.504 0.838 30 20 ICED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cc(C#N)c[nH]5)[C@H]4C3)c(C)n2n1 1789344841 IMJSNNQSTRLVJL-BQFCYCMXSA-N 448.487 0.848 30 20 ICED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559282 SIISKSAUKPCRNI-XEMDLRDOSA-N 429.546 0.174 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N)NC(=O)OC(C)(C)C 1795984741 PPYSJSKVNNMAFL-JONQDZQNSA-N 436.557 0.967 30 20 ICED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796995298 OZBUKVDGKAACSF-OAFZBRQQSA-N 440.500 0.728 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2 1798644569 YGRDUUTZWGNKCK-RCJHGTSTSA-N 438.488 0.837 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773296 JBOJVECUARCNJA-YVWYUNDQSA-N 438.440 0.178 30 20 ICED COc1ccc(OC)c(CCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778696 MRBGVTOCOMXOJW-GPVSGQMNSA-N 444.484 0.704 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(n2)NC(=O)CC3)[C@@H]1c1cccnc1 1807945018 LHBOBEJQARDGPZ-IERDGZPVSA-N 447.451 0.769 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1808451124 ZLTZCXWQLPYLPX-BEFAXECRSA-N 427.461 0.473 30 20 ICED COCCn1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1808658998 FNVFLIVBSOMOGG-OXQOHEQNSA-N 425.445 0.332 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810326331 BICWAUCJHMTSBO-GHTZIAJQSA-N 437.504 0.473 30 20 ICED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1(O)CCCCC1)CC2)C(=O)O 1815079960 BRSZNVZVJZBKIY-DZGCQCFKSA-N 448.545 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(=O)(=O)CC)CC1 1823746201 XSBSMKIOVFAMGU-CNZFZVQHSA-N 439.578 0.899 30 20 ICED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830871487 KGGRJPGQTFBCMX-IFMALSPDSA-N 433.480 0.713 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831427663 XGPFHPGYEFWRGG-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1833468385 ILHVXHQGQVAKJC-UHFFFAOYSA-N 437.585 0.812 30 20 ICED CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1C(=O)O 1833604968 TXPCVVMDHDFCDM-NRFANRHFSA-N 447.492 0.782 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587349 JCLHNMKFMZUGHK-OMJZWIOZSA-N 448.476 0.386 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1835718803 XXSWLZKFKJXUBE-QAPCUYQASA-N 433.557 0.379 30 20 ICED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732332 ODKZDTIKNHHTMH-RCCKNPSSSA-N 441.598 0.074 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835804243 SHBTXNJGCOQLOF-JLTOFOAXSA-N 438.550 0.677 30 20 ICED O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cc2N1 1836989716 WHUNLCVVYBHXSQ-QHCPKHFHSA-N 439.468 0.501 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1837401261 XBRKPCAYSAOTMP-XGHQBKJUSA-N 425.526 0.817 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837403378 SGISLCIXKILJQQ-GCJKJVERSA-N 433.505 0.359 30 20 ICED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441902 IMQKATLPCLJVLN-PDEZOQIOSA-N 434.497 0.107 30 20 ICED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCCN1 1837492657 NNQWTCUORYPIDA-GGAORHGYSA-N 433.549 0.284 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837527852 YEFBUWDJCKDFMB-RETMYHCQSA-N 439.509 0.398 30 20 ICED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837599791 XLKHZPVNIIBFSN-OSTGQTKBSA-N 441.525 0.785 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)ccc1F 1839186130 AYRFJOVBIYSUQZ-OAQYLSRUSA-N 443.435 0.439 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839473962 CXUYCBWENKMTQP-QFIPXVFZSA-N 429.473 0.834 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839629976 CHRALXKBPJMFTE-AVRDEDQJSA-N 443.504 0.601 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839636985 ZPUPYJPSBZCRTJ-XERREHJYSA-N 432.546 0.527 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)C2)C1 1839811745 MHFRXIOAJRAWDJ-HOIFWPIMSA-N 435.521 0.722 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840164115 YCECLKAPWQHZPB-YCRPNKLZSA-N 434.562 0.158 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840197882 BLPICPNIZCBUQG-WIYYLYMNSA-N 433.530 0.742 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1840441561 ANLVCIYKVZBBNQ-AVBGGIPMSA-N 432.525 0.372 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1840714975 NMZYZPMOACIPDU-QRQCRPRQSA-N 439.472 0.260 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)ccc1[N+](=O)[O-] 1840757964 JHCUKBRVOLEQLP-HXUWFJFHSA-N 432.433 0.977 30 20 ICED COc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813824 XMUZFHCHBRBKCL-OAQYLSRUSA-N 432.452 0.993 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882077 DURSKBRFQXJUCC-HRAATJIYSA-N 426.510 0.623 30 20 ICED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449094 NAFHDWNKPJVZTQ-HOTGVXAUSA-N 449.552 0.348 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C/N=C/c1ccco1 1847510837 FJJXWZZWLDYVSU-RBFUWCEMSA-N 434.493 0.786 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 9444264 BOODDVGQLHHKKI-UHFFFAOYSA-N 441.462 0.071 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 16634936 CYQWTFMGZOWZSK-UHFFFAOYSA-N 439.497 0.850 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 29881758 HDANLRISZVEEJK-UHFFFAOYSA-N 440.481 0.912 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 467672546 XJTOQFJSZXIHRH-MRXNPFEDSA-N 437.518 0.762 30 20 ICED C=CCCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 473312836 DCBHEPPEPLNNPW-HNNXBMFYSA-N 443.547 0.563 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(Cc3ccon3)c2=O)o1 480954002 LUKYFLCJPPMETO-UHFFFAOYSA-N 442.522 0.926 30 20 ICED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 484369775 NWNZLLCHDIOIIJ-HNNXBMFYSA-N 435.431 0.863 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C1CC1 501175943 RLJNGKNVTUYOKV-UHFFFAOYSA-N 443.525 0.536 30 20 ICED C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCCC1 501580645 PEAFZNDQLBGOGB-KRWDZBQOSA-N 447.561 0.382 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508121593 SVKSJAISMNQATG-SUMWQHHRSA-N 430.490 0.270 30 20 ICED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508840714 MIQWQJCWWMUSOL-CQSZACIVSA-N 448.487 0.008 30 20 ICED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 519334116 ZGBSZGJWDGZLEA-UHFFFAOYSA-N 443.481 0.717 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)n1 546904865 JSBTVAUTJQWRTF-UHFFFAOYSA-N 425.470 0.570 30 20 ICED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549730531 GYXBHOAFGAHWRQ-UHFFFAOYSA-N 449.515 0.900 30 20 ICED CN(CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C)S(=O)(=O)c1ccc(C#N)cc1 552975456 GILDFOXHCIEHSI-DNVCBOLYSA-N 430.490 0.048 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 553973535 APCBTZKBAMKUPP-OAHLLOKOSA-N 443.895 0.830 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(F)(F)F 574587920 RTACIVVXRSQKPZ-AWEZNQCLSA-N 434.444 0.607 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 578492932 KSXCVGPBWMWSGC-UHFFFAOYSA-N 438.463 0.216 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1C 608783285 BXRWSAFPGLIGBJ-SFHVURJKSA-N 448.524 0.945 30 20 ICED CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 727162600 NANLOXFRCQNDGA-UHFFFAOYSA-N 442.589 0.357 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 729256879 LDASXERCIYXKFD-GOSISDBHSA-N 426.517 0.640 30 20 ICED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911110 YFFRDAZVOMXIAR-OAHLLOKOSA-N 447.542 0.888 30 20 ICED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)cc1 733858555 ZPLZDZRVRONJKK-JKSUJKDBSA-N 434.474 0.778 30 20 ICED CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CCOC)c2)c1=O 743728556 LZSUTXRNYICEID-UHFFFAOYSA-N 438.513 0.699 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1 747249882 SBYNFIYPPTZAHV-HZHRSRAPSA-N 438.510 0.986 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1=O 764937831 FVPVRNDNEMYVFU-QFIPXVFZSA-N 447.536 0.834 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cccn2c(O)nnc12 766273395 AZNCSWBAZMOWIX-UHFFFAOYSA-N 448.395 0.972 30 20 ICED CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc[nH]n1 772541699 QCUXZBXYMMKIPI-KRWDZBQOSA-N 438.444 0.877 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCC1 779318011 MWRJASSFFJNOTE-HXUWFJFHSA-N 430.486 0.910 30 20 ICED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 779549702 NIROVGIOVBBOCH-BQIFBJFJSA-N 449.533 0.550 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 782782748 GYPVPYPYJYCGDR-UHFFFAOYSA-N 439.480 0.114 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 783014495 UWGKJZCXJWZGRB-UHFFFAOYSA-N 425.507 0.772 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 783481129 NGZXTGJUBOGJQG-NSHDSACASA-N 431.373 0.784 30 20 ICED C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 783616642 NRYAXHZMFRSAAD-HIFRSBDPSA-N 436.939 0.181 30 20 ICED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 784850091 YNPJWSRKZPMLAZ-HNNXBMFYSA-N 434.518 0.384 30 20 ICED N#Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)o1 796149083 XCGGCPHJQATGSL-GOSISDBHSA-N 425.397 0.819 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)c1 799845799 ANNDQNFMYYKTAV-SNZUYFENSA-N 440.547 0.465 30 20 ICED C#CC[C@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 809644346 WUOZJIOKFGTBNS-LJQANCHMSA-N 429.539 0.558 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)c1 915388171 YZMIQEYGIOXUKP-UHFFFAOYSA-N 439.515 0.522 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC 917768723 JLMWVLUXHMTRQW-UHFFFAOYSA-N 436.515 0.945 30 20 ICED C=CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCS(=O)(=O)C1 919989646 QCDYWCBKKUSOOU-SNVBAGLBSA-N 437.337 0.912 30 20 ICED Cc1nsc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)c1C#N 1261223287 PTSSJZRCXPSZQQ-UHFFFAOYSA-N 434.543 0.981 30 20 ICED CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1301830940 ATNIAYLBJNMQSM-XMSQKQJNSA-N 440.504 0.985 30 20 ICED C[C@H](CC(=O)NC1=NS(=O)(=O)c2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1318856194 NZLHGEMEUDIIOS-LLVKDONJSA-N 432.483 0.769 30 20 ICED Cc1nn(CCS(C)(=O)=O)c(C)c1C[S@@](=O)CC(=O)NCc1ccc(C#N)cc1 1321147243 AIXCOYGDWCEFGV-MUUNZHRXSA-N 436.559 0.981 30 20 ICED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539803778 NJYPVRXEHAPZMR-SUMWQHHRSA-N 446.961 0.326 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)C1 1611769093 KDKJBEMAFCLLSE-HXUWFJFHSA-N 425.497 0.684 30 20 ICED CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1710271177 RNXGWDVHIBHGQP-UXHICEINSA-N 441.584 0.895 30 20 ICED CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1712685494 ITHIVYTZXPJDEU-DOMZBBRYSA-N 431.515 0.199 30 20 ICED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CCN1C1CC1 1712882283 AAVJHQYEUXGXMU-CQSZACIVSA-N 436.467 0.072 30 20 ICED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740739161 PIJDEMPIQHIGQZ-NWDGAFQWSA-N 447.359 0.608 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1752454133 XGIBYIDUMWHYGJ-VHFSOBRXSA-N 431.518 0.980 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1778973556 LRJUSAIFGIGMSA-BTYIYWSLSA-N 425.526 0.914 30 20 ICED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100826 ZFLGYRBCRNZFCL-QYTMUWCGSA-N 443.522 0.252 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1779329829 DCFCSPXTTMYCDI-GSHUGGBRSA-N 434.537 0.682 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779359232 BGAKYUSRCVZXJL-BZWNZDFJSA-N 449.596 0.694 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1780168461 HLNQKQIATKNMME-QFIPXVFZSA-N 428.489 0.343 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c(C#N)c1 1781177252 VMLZXERARSFMTJ-AOMKIAJQSA-N 438.488 0.792 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1781860760 JTIMLBOQQVUFNB-JTSKRJEESA-N 444.488 0.845 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNCP(=O)(O)O)CCO3)C2)c1 1782056798 LCWHHURRCFOCDM-IBGZPJMESA-N 436.405 0.035 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](N)c3ccccn3)CCO4)c2c1 1782195829 KURWYZUUIJKRCU-XXBNENTESA-N 445.483 0.973 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)c1 1783931555 WHIHZIMESNVJNX-FCHUYYIVSA-N 445.472 0.626 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1785378419 BGPAHPRYPDIWAX-HSZRJFAPSA-N 436.468 0.629 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1785576734 MGOAKVDRYUOJNV-GJLUTBBRSA-N 447.532 0.625 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)c1ccc(O)cc1 1787427290 ZKCYLFTXHWFCKE-DIZVHYTASA-N 428.533 0.155 30 20 ICED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788615801 NXSHTUXKUSERDS-BZSNNMDCSA-N 429.546 0.636 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1789891903 VQKDPWIEEFMMOZ-IHRRRGAJSA-N 449.426 0.154 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791300126 ZKUNFIPOTBXGIN-KKUMJFAQSA-N 426.539 0.066 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1792257190 AZCZDBWVLPEFML-TXTZMMAHSA-N 436.553 0.478 30 20 ICED CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cnc2c1cnn2C 1793256801 PJROZAZUUHWCIV-CWPLJXCYSA-N 437.500 0.984 30 20 ICED Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797780762 LEKHTFMYXJCXHI-HATOLVCRSA-N 428.533 0.788 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1797785131 HNDLMKUEGLSBFB-FAQVEIGNSA-N 427.501 0.618 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989851 LCUYYAFXEAIPAC-REGYPHIPSA-N 449.529 0.207 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803457811 LMBBZPDFJHVDOT-WPYKKVEZSA-N 448.527 0.971 30 20 ICED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803556383 HVAAWYXDLKUQEF-LAUBAEHRSA-N 443.504 0.622 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCSC(=N)N)[C@H]1c1cccnc1 1807121378 CQOCKRSKNMVOOR-FRWFVBGZSA-N 444.561 0.963 30 20 ICED CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1)C(=O)O 1807206919 XSSLYQRNLYEBKI-UOJJJTRJSA-N 441.488 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cc2nnc(C)o2)[C@@H]1c1cccnc1 1807466436 JRCJAXVYDUIBRD-JZXMRFPWSA-N 438.488 0.880 30 20 ICED Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nc2nccn12 1812879160 CEYDQGZXSSUGCC-JXFKEZNVSA-N 432.440 0.840 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(c2)CCNCC3)[C@@H]1c1cccnc1 1812881427 XIPVWHQXJYSFBX-FDDCHVKYSA-N 447.495 0.572 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814575521 XHAVSECMUORVMP-JKSUJKDBSA-N 433.578 0.731 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(n1)OCCO3)CC2 1825665446 MOGJRFJKGQQGCS-SNVBAGLBSA-N 428.426 0.623 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826801133 WZGCTPCIYHKEGK-DOTOQJQBSA-N 429.454 0.369 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCN2C(=O)OCc1ccccc1 1828936640 VUFRYNRUXVUBJI-JOCHJYFZSA-N 426.473 0.160 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC)cc3)C2)C1 1829765559 ZNHOVTCLXFOHJE-AXKGWLQCSA-N 442.516 0.657 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1829907999 UWFYQGCMCIOLIV-JTSKRJEESA-N 438.488 0.410 30 20 ICED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830016651 CHJXJBXSFPFSQY-FLPAMXLZSA-N 427.498 0.397 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830636840 QSKDYYFJAANTPT-HSZRJFAPSA-N 445.516 0.526 30 20 ICED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1830953423 DYDRTBFBSGYCCD-OAQYLSRUSA-N 426.477 0.241 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831431211 BHWIAJXOAFSRPD-HTAPYJJXSA-N 443.504 0.319 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1832454324 HMPKNMIFBPMQQK-FQEVSTJZSA-N 436.534 0.376 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832676216 HWBLAROIAJKECG-XUHCNCODSA-N 442.472 0.629 30 20 ICED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834038204 FBWVXKOIYTZIDV-ROZQTZPBSA-N 446.504 0.989 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1835767181 GDVJDOBSPNYABC-NMWDDECMSA-N 446.552 0.984 30 20 ICED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835768033 IWSVXBKYTBJPIN-KURUZVKSSA-N 437.541 0.223 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836371523 YEWUSDORRIPSDO-UXHICEINSA-N 447.624 0.232 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C(F)(F)F)cn3)CCO2)C1 1836378434 YHPBFBQHKNRANK-MEDUHNTESA-N 434.440 0.884 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc3c1CCCO3)CCO2 1836391175 USFDNXNNEUJJNC-HXUWFJFHSA-N 434.470 0.231 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836845542 ZISJDEICSWEFBD-QFIPXVFZSA-N 443.504 0.782 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1837367754 UCEKKWKKGLBRCA-NYHFZMIOSA-N 439.472 0.260 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccccc1=O 1837684926 XXYKULZLWVVGTR-NBGIEHNGSA-N 449.507 0.917 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(CO)on2)CCO3)cc1 1838805176 KEXMGYQKHADDSX-JOCHJYFZSA-N 440.456 0.617 30 20 ICED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906228 AFQKLAVIYXVURL-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185530 FFZHPVUOUNCOAD-UZUQRXQVSA-N 443.475 0.735 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccno4)C3)C2)ccc1F 1839186716 KOSSONMPHGOLRZ-OAQYLSRUSA-N 428.420 0.998 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1839226549 AIWPGZLJONSQRT-HRAATJIYSA-N 434.493 0.967 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1839453790 DBEDCVYBMSKJJG-NRFANRHFSA-N 447.513 0.755 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482319 KYLKJVVOZIPILA-FQEVSTJZSA-N 442.432 0.845 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839882524 KBEQXGIOBBDIAI-QHCPKHFHSA-N 442.516 0.473 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839889094 ASSKNPOPCCCZPI-MRXNPFEDSA-N 429.380 0.599 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840161493 REUAZZRSNOTZCZ-XHSUDLSASA-N 437.518 0.227 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840291720 BPKMBIAFSNEXKJ-HSZRJFAPSA-N 444.532 0.785 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1I)C2 1841601064 BLAOCCKPEOXVTR-NSHDSACASA-N 442.257 0.870 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1847069665 PVXDOKNGNUKOJM-HZPDHXFCSA-N 432.521 0.797 30 20 ICED CC[C@H](C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 29194062 QDNPEGLVJUJMHY-KXBFYZLASA-N 436.534 0.568 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2ccc(Br)cc2)c1=O 30531639 VLLZWFMDPDMIHH-CQSZACIVSA-N 438.278 0.746 30 20 ICED N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 62087206 IMPNUMSUCJTPKD-UHFFFAOYSA-N 428.470 0.834 30 20 ICED COCCN(Cc1ccnn1C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 427938551 PLXQGJBXDLRPGG-UHFFFAOYSA-N 425.424 1.230 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C(F)(F)F 435169854 ZQUUEWXDNJUJSD-UHFFFAOYSA-N 430.408 0.689 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 437037644 CHCYKYQYAPITGQ-QAPCUYQASA-N 437.518 0.743 30 20 ICED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 444379235 DPJNIGLDZAZYMX-IBGZPJMESA-N 437.562 0.753 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 446532493 QPRIUMYCSRRPBJ-UHFFFAOYSA-N 431.884 0.934 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)[C@@H]3CCCO3)nnc12 468651215 BCWKSSLRDOIDEV-HOCLYGCPSA-N 429.502 0.978 30 20 ICED Cn1c(N)c(C(=O)CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 471012989 BSSJKARMDGSGEN-HNNXBMFYSA-N 430.896 0.385 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OCC)n2)c1=O 477449495 FTVZQZKOYBMTJC-MRXNPFEDSA-N 440.525 0.688 30 20 ICED CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480283801 LBOCIXKFVSLBHR-CQSZACIVSA-N 442.563 0.545 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cc1F 480950379 FYTHGFLHNUQCBD-UHFFFAOYSA-N 440.456 0.875 30 20 ICED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 488977204 IIIGSWOHOWYVKC-HNNXBMFYSA-N 442.493 0.590 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1=O 501441159 UWUYKWNXVDVVIY-BXWFABGCSA-N 440.500 0.267 30 20 ICED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506560683 GOHQJTHMNOLJCM-UHFFFAOYSA-N 438.481 0.723 30 20 ICED C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507506390 DTRIHZMHFLCYFX-OAHLLOKOSA-N 449.533 0.718 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCNS(=O)(=O)c3cccnc3)C2=O)cc1 508105955 OKPCXSZEXLJZEE-GOSISDBHSA-N 427.486 0.933 30 20 ICED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508846237 FZUCTSAGGFHCAB-UHFFFAOYSA-N 435.488 0.510 30 20 ICED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 512603329 WAYLJHXKSBZZGC-MRXNPFEDSA-N 446.533 0.302 30 20 ICED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003471 OSHMIFPFCNWWMV-BUXKBTBVSA-N 446.510 0.587 30 20 ICED CN1CCN(CCCN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 515906477 TZKAQBIPIUZSAF-HXUWFJFHSA-N 440.548 0.266 30 20 ICED C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H](C)c1cccc(-n2cnnn2)c1 521791852 GKXFKNHSMROMQW-CQSZACIVSA-N 446.471 0.997 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(-c2cccc(F)c2)c1C 532558995 QTVRQKZUXTZTMS-UHFFFAOYSA-N 434.497 0.865 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCOC1 532756032 JQMXRUSHMLLNJR-CYBMUJFWSA-N 449.479 0.490 30 20 ICED CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 546039707 MLGHNRYHCPZPDH-OAHLLOKOSA-N 435.554 0.630 30 20 ICED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549265808 LMFNKWDMRZPEDI-STQMWFEESA-N 438.514 0.294 30 20 ICED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 550482392 CWDQUZPZHSEPHT-NRFANRHFSA-N 426.565 0.365 30 20 ICED N#CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 553307885 OVPIRVQBJDJVLH-JTQLQIEISA-N 449.352 0.667 30 20 ICED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 559510277 CQVJKZKCMZFQPM-IRXDYDNUSA-N 428.537 0.606 30 20 ICED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573767025 HUYYNMACAZCGAE-GJZGRUSLSA-N 439.476 0.467 30 20 ICED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)cc2)ccn1 576867163 DPSRWVILKZRZKE-HNNXBMFYSA-N 429.458 0.964 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3C(=O)NN=C3C)nnc12 603887542 RXRIOFRWDVSHHL-ZDUSSCGKSA-N 439.501 0.951 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(=O)N(C)C 616254658 GAHXERLMSFQXHU-UHFFFAOYSA-N 438.962 0.742 30 20 ICED CC#CCN(C)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 647542133 LWBOHUQNONMZSY-LJQANCHMSA-N 435.546 0.944 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N([C@@H]2CCS(=O)(=O)C2)C1=O 726396315 REEMDZKILTXTOE-ABAIWWIYSA-N 441.531 0.959 30 20 ICED N#C[C@H](C(=O)c1ccc(I)cc1)C(=O)N1CCS(=O)(=O)CC1 732910836 TUTURLQLVRDJFE-GFCCVEGCSA-N 432.239 0.871 30 20 ICED C=CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 735862678 ASFJWVIQJITIIM-KRWDZBQOSA-N 443.547 0.918 30 20 ICED Nc1ncnc2c1ncn2CCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 745535963 UPOOYFKLJMXEON-UHFFFAOYSA-N 443.489 0.861 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 750976539 AIWLWQNLCJONLI-HNNXBMFYSA-N 445.538 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C(C)(C)C)s2)c1=O 758058367 KSEQOFDHJGXAID-UHFFFAOYSA-N 444.582 0.953 30 20 ICED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 767067474 AFZRUJVHXMTBKQ-CYBMUJFWSA-N 425.486 0.599 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486943 RXAIPQQRDQJMTB-CQSZACIVSA-N 445.461 0.658 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 771459316 UDDSGHXWLSJRAC-UHFFFAOYSA-N 448.501 0.816 30 20 ICED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774530839 URJYEZARGPZUQA-UHFFFAOYSA-N 436.493 0.799 30 20 ICED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)[C@H]1CCCO1 775791917 XKXQAIILKGDVBS-WOJBJXKFSA-N 435.546 0.689 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)c1 782568902 PYALZECSHMWJHR-UHFFFAOYSA-N 435.527 0.778 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 787617198 RILPJPHSWYPTCL-UHFFFAOYSA-N 432.414 0.200 30 20 ICED COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1OC 790194610 HNMGGGBQYQOOJJ-JQIJEIRASA-N 443.865 0.940 30 20 ICED C=CCN1CC[C@H](OC(=O)/C=C(/Br)C(=O)O[C@H]2CCN(CC=C)C2=O)C1=O 798651319 AZCYVWYPOXETAE-GHYUOPHCSA-N 441.278 0.925 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)C2=O)cc1 806685922 SYJUZQSCQJXTHI-ZWKOTPCHSA-N 426.473 0.577 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816597062 BZKGSDHVNNYIFO-UHFFFAOYSA-N 449.577 0.564 30 20 ICED C#CCN(C)CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 818584270 KNBOSJULEFXKII-UHFFFAOYSA-N 448.589 0.679 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CSCC#N)CC2)cc1 915386807 SOVAHCOJPOLPMI-UHFFFAOYSA-N 439.515 0.522 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N(C)C)CC1 916831495 QIMFJTCVVKQFSY-QGZVFWFLSA-N 449.577 0.372 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4ncnn4c3C(C)C)CC2)o1 919274032 CRFXUJPUSSGEJS-UHFFFAOYSA-N 438.448 0.921 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cncn1 1292125189 KIEBQJJHIBQTAG-KRWDZBQOSA-N 426.529 0.665 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1297993079 MPHKSIWBDXDMDH-SFHVURJKSA-N 439.520 0.728 30 20 ICED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCS1(=O)=O 1304859840 RGGYVXXCFFNKFK-UHFFFAOYSA-N 429.550 0.816 30 20 ICED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](O)(CC#N)C3)CC2)c1 1460297282 KOFIHKOHBPLMHB-FQEVSTJZSA-N 434.518 0.073 30 20 ICED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 1515132053 ZWISIFVCJBCYDX-ZDUSSCGKSA-N 442.925 0.882 30 20 ICED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1555803602 UKWIWSBVPRGQOC-INIZCTEOSA-N 429.506 0.465 30 20 ICED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N1CCOCC1 1611511986 UDEQHRFUUBUNNN-MRXNPFEDSA-N 447.565 0.523 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2=O)cc1Cl 1624440616 MAWIADMARPPODN-OAHLLOKOSA-N 429.908 0.987 30 20 ICED CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711422779 OSMGXPWCRKWDPI-UHFFFAOYSA-N 429.550 0.899 30 20 ICED COc1cc(C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1711639293 WKKLEJFUUVJUFY-GDBMZVCRSA-N 434.522 0.982 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1748299263 ZKBVRWIVOJSKBP-UHFFFAOYSA-N 444.521 0.648 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779110008 XPSYWFSHGONOQU-JVLSYQRKSA-N 438.525 0.650 30 20 ICED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)C/N=C/c5ccco5)C4)C3)(C1)C2 1779138035 NRMKLDSYQXUSHD-NGESZCOYSA-N 429.473 0.872 30 20 ICED COc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1OC 1782013389 JJKJWVUSNJEBQA-QVKFZJNVSA-N 431.445 0.314 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1785577193 LBXDNEKZDZOMAQ-GEYWLOKFSA-N 435.521 0.504 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1785578030 UJXJCLWDYSXNNL-QKKBWIMNSA-N 448.476 0.740 30 20 ICED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C[C@@H]3CCOC3)NC(=O)OC(C)(C)C)C[C@@H]21 1790791632 KTYNPTJYJLZEPH-FKSLSLAPSA-N 449.548 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(C)cc(C)nc13)C2 1793343540 ZMEJOUCNQXXGQH-BMFAXAFESA-N 425.489 0.588 30 20 ICED C#CC(=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 1797309498 CVHIYMNKIBRKES-BIWGCHKCSA-N 435.521 0.217 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)c2ncccc12 1797574187 MLXBMJPTYLTKFL-IBRLJDPESA-N 437.500 0.635 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)nc1 1798261961 HJAAWHWWIZLPPK-XEMDLRDOSA-N 430.505 0.860 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641929 JXNUNFKMIVVIGG-FZDIXFNVSA-N 427.505 0.663 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799798298 OGJFAWCDUBIRTE-DQEVTTJGSA-N 448.545 0.398 30 20 ICED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)cc2C1 1800130921 QYCHLQQQSXWJRB-HGKCTWBKSA-N 426.521 0.616 30 20 ICED 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)=O 1800509053 CWHYJWSDVOFWEV-DFGXFYAUSA-N 438.525 0.182 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C2 1800775831 IYSOKQXUHQQEBM-HBCWATKFSA-N 440.374 0.805 30 20 ICED 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)S 1800990790 ZFEXDJGWOKVCET-RBZJEDDUSA-N 425.551 0.811 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1800991455 BOBNLBTYRBHSNR-ZTENYAIWSA-N 428.489 0.386 30 20 ICED CC(C)(C)C(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1801921213 AMNHRYUTUUAQQF-CWPLJXCYSA-N 441.484 0.962 30 20 ICED C#CCCC(=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 1802021817 YPABKHORYGQFCX-KWXDATOUSA-N 449.548 0.607 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1802032684 IOXGPLWYFRJTSQ-XAPVIXHLSA-N 426.517 0.995 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CSCC(=O)OC)C2)CC1 1806029336 PTVKQINGUSNNPM-WAYWQWQTSA-N 437.562 0.982 30 20 ICED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1809298070 UBQGFAJWSAFQSB-QHCPKHFHSA-N 425.529 0.920 30 20 ICED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809657257 PBMPYBQCKKWADV-UHFFFAOYSA-N 431.470 0.925 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1809770910 HFTLVMAGCADEGD-HNNXBMFYSA-N 432.525 0.098 30 20 ICED C=C(C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1812675835 XOEWUPRSRNGIEZ-BBRMVZONSA-N 439.394 0.758 30 20 ICED CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(C#N)c[nH]4)sc3C2)CC1 1821604755 XXFYBVSEBXZPLO-CQSZACIVSA-N 427.534 0.816 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1823745386 GMDOEZNGTPJIGT-SEDCNLEPSA-N 445.520 0.063 30 20 ICED N#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc1ccccc1 1829047274 PSEDFAGOLKWILJ-PGRDOPGGSA-N 442.520 0.028 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1830182796 UBGALNJZGNHTPJ-LIRRHRJNSA-N 442.559 0.478 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccc(Cl)c1)CCO2 1830282540 PQVTXGCLGBAYKF-HXUWFJFHSA-N 436.848 0.263 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc(C#N)c4)CCO3)C2)n1 1830458257 NHZRVKCUHHCWLI-JOCHJYFZSA-N 438.488 0.390 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCO2 1831110335 HAKGNTQSTGQUOI-XXBNENTESA-N 425.485 0.125 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3C)C2)C1 1831387422 PJJCQAUGIPRMNT-CVDCTZTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831396874 RZUSWRCGRFQTJJ-VFNWGFHPSA-N 427.461 0.066 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1831419937 RRMDUGFOSHWGJL-MGPUTAFESA-N 438.550 0.827 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1831493976 WOYGIWYMDRPOGI-MDKPJZGXSA-N 437.562 0.820 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1831497222 AXEDFQUEHCVWJR-XERREHJYSA-N 436.578 0.925 30 20 ICED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831990578 ODQPBJISVIQTRR-YVABFXQFSA-N 449.504 0.887 30 20 ICED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1)C(F)(F)F 1832151012 PYVUOQVFVKZMDQ-OLZOCXBDSA-N 440.312 0.657 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252332 XGGBDOCZGGJQGA-MRXNPFEDSA-N 438.374 0.602 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832783897 QFPQFDIOQYQLCL-HRAATJIYSA-N 434.493 0.230 30 20 ICED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)C1 1833027175 HNOYGHQPQHECCP-OAQYLSRUSA-N 433.530 0.901 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833386388 YSASKMVDVJUGCW-JOCHJYFZSA-N 448.520 0.440 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1833467791 AFPURSPRQCYGJR-ZWKOTPCHSA-N 430.553 0.524 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1833621749 RKHDLAREHSTBEC-QRWLVFNGSA-N 431.518 0.656 30 20 ICED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1833843469 DEMBUIILMMRXIC-HXUWFJFHSA-N 444.879 0.724 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626545 QKEUHQKCJVRJBH-LJQANCHMSA-N 434.581 0.754 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834680027 XEKVKNAGJNCHQY-INIZCTEOSA-N 439.564 0.982 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)Cc3cnccn3)CC2)CC1 1834715542 QEDVTDBHMCMLCZ-UHFFFAOYSA-N 441.580 0.873 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836861649 ZSQFBSAPEAWJRS-PMACEKPBSA-N 448.608 0.659 30 20 ICED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)no1 1837443760 IUPFJUZCINLAHD-XWRADEMYSA-N 433.509 0.779 30 20 ICED Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524328 FXUYMASODGYLNX-XZYKOBSISA-N 434.493 0.922 30 20 ICED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c[nH]1 1837528696 NFBOAVZOEXNSDC-YIPJSWNASA-N 434.493 0.922 30 20 ICED O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837533235 LUKOCLSMSBJTMF-DZBWLDRMSA-N 447.492 0.408 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1837869458 PJCXVNVZEYYDDV-INIZCTEOSA-N 433.553 0.403 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)ccn1 1837977137 WYKWMTNJSUFOHZ-JOCHJYFZSA-N 445.520 0.442 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1839174781 WNMADPPMVPGZFS-HXUWFJFHSA-N 437.518 0.651 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1839176391 MQMKMOXFPMASHN-UWJYYQICSA-N 425.526 0.292 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224624 WCIWHUFMHOJKDO-AIRUHKMPSA-N 425.482 0.363 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)n1 1839419950 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1840457881 YFMZBLDSNLUIGT-XMSQKQJNSA-N 432.521 0.439 30 20 ICED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814314 ASIBCDHSRMQBGN-KKSFZXQISA-N 428.493 0.427 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)CCO2 1840822474 FDPIRIUOAPZGMC-DOXZYTNZSA-N 446.422 0.900 30 20 ICED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2)C(=O)O 1842950624 PFBZVBXSESLYPB-ZDUSSCGKSA-N 439.394 0.852 30 20 ICED O=C(c1cccn2c(O)nnc12)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300359 ADPCPYGVEQBMGK-BTZNOAQDSA-N 428.449 0.781 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302127 CMLMNELWZVKCQB-BBQGRHSISA-N 440.497 0.562 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(C)(=O)=O)c1 1847260010 JTMDELXRNISKLG-OPDSQHBBSA-N 431.514 0.764 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 409517890 KXEUZTCPGDMJIL-QGZVFWFLSA-N 443.957 0.591 30 20 ICED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCO1 409593058 ULMXWORAIMTAEC-INIZCTEOSA-N 427.914 0.047 30 20 ICED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCN2C1=O 427393301 YHLZPVRJDLKSOX-KRWDZBQOSA-N 436.476 0.682 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)s1 441959930 NTJCPYOVZMYZGX-GFCCVEGCSA-N 431.539 0.798 30 20 ICED C[C@](O)(CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CN1CCOCC1 442031772 VTBWQZNODACXAA-SFHVURJKSA-N 444.410 0.637 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCSC 443552278 MYMCLDXYBZYSFI-UHFFFAOYSA-N 447.582 0.856 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1 467911451 SDVWQEVYEJUROC-UHFFFAOYSA-N 439.476 0.375 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)n1 479369077 VMUOYOUPKXBRGZ-UHFFFAOYSA-N 432.571 0.952 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1Cc1ccon1 480930530 GHLIXIUAPIZGRQ-UHFFFAOYSA-N 440.456 0.899 30 20 ICED CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nc1 484779368 DRGKMSFDRQSULX-BLVKFPJESA-N 426.458 0.867 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 491214156 UCDSURKYTQONSD-UHFFFAOYSA-N 439.310 0.843 30 20 ICED N#CCC1(O)CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 506395937 LYPLIKOZQYBGKY-UHFFFAOYSA-N 434.474 0.256 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 512468112 ICUMMMJHORTBRM-LJQANCHMSA-N 441.532 0.865 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)C1=O 525066024 CBEVTGHZLYLCST-KRWDZBQOSA-N 441.488 0.768 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)c1 527125442 AXPXKZXWVCGGRI-UHFFFAOYSA-N 445.457 0.168 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncc(N4CCOCC4)c3)CC2)cc1 535993490 KRZCXHYYOTWHHI-UHFFFAOYSA-N 441.513 0.937 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 542934707 RNSNMXOHJZZAEA-CYBMUJFWSA-N 436.881 0.822 30 20 ICED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 549286094 WWWQHLKJPNBCDI-JKSUJKDBSA-N 440.570 0.682 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2)c(F)c1 554157720 FTPYYKJLBSKIHU-QGZVFWFLSA-N 439.495 0.850 30 20 ICED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 554692383 USQLVKWWZQUCBS-GOSISDBHSA-N 425.489 0.497 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 560604063 MKDAKMDRNOYQOL-NHCUHLMSSA-N 425.533 0.576 30 20 ICED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 561389043 QBILELGQKKIKSK-UHFFFAOYSA-N 448.423 0.742 30 20 ICED CCOCCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1C 564035882 YZYNFNWGCPAFRY-HNNXBMFYSA-N 428.468 1.391 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 577098242 XTPVPZQNRDRHQP-UHFFFAOYSA-N 426.412 0.760 30 20 ICED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H](C)C1 578267663 WHHPWEJTJYBOPC-CQSZACIVSA-N 425.449 0.173 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581780644 NWAKPMJFHPCQQJ-IEBWSBKVSA-N 449.515 0.689 30 20 ICED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 583225232 YZZVGUIKOVHATC-RTWAWAEBSA-N 444.532 0.529 30 20 ICED CO[C@@H](CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 588870288 GLZCLWNDZRQXJC-GJZGRUSLSA-N 426.395 0.859 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CN(C)CCO1 589139038 LUJYVQNCMCAHBB-OXQOHEQNSA-N 436.516 0.590 30 20 ICED CC(C)[C@H](C#N)N1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 609538038 KICJBPVEKPGISE-QRVBRYPASA-N 426.583 0.347 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)nc1 609686138 MKTYXHGPYDLNNE-HXUWFJFHSA-N 427.553 0.628 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1CC(=O)N(C)C 614063591 NWYDHIUDZOUJTF-UHFFFAOYSA-N 440.569 0.980 30 20 ICED Cn1c(CCC(=O)N2CC[C@@](F)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 615607377 IKSZLWGJTJDLAM-HXUWFJFHSA-N 449.508 0.991 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1=O 726043652 ZGXJRFXVTLNOAQ-CQSZACIVSA-N 444.444 0.267 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 731861614 HREXMCZYBPGCEA-UAMJFUFUSA-N 429.408 0.235 30 20 ICED CSc1cccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1 732910201 LFVPEPDRGTZDDG-CJNGLKHVSA-N 435.527 0.727 30 20 ICED CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 733201683 XKZUYOYIOGYJDD-YPMHNXCESA-N 428.536 0.981 30 20 ICED C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 741830440 INLWAQQCFUBGIC-CYBMUJFWSA-N 431.474 0.608 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 747991200 FGBYQCACJCYUEH-GOSISDBHSA-N 426.473 0.731 30 20 ICED COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 761525056 TUTIHVBUSOWNQA-LBPRGKRZSA-N 431.405 0.743 30 20 ICED CCCCCCn1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(O)nc1=O 772649357 LTJCSAHFWRDYDM-ICFOKQHNSA-N 439.494 0.334 30 20 ICED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O 777947805 XBIXOTLYQPPFSD-UHFFFAOYSA-N 449.529 0.184 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783479262 IGMPHXOUGDNTIO-LBPRGKRZSA-N 438.458 0.078 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)CC2)c1C#N 788535717 FMVMJLNTINEZCK-UHFFFAOYSA-N 434.497 0.952 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)C1=O 791133583 JSLZCFQOBXWRKO-GOSISDBHSA-N 439.472 0.942 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)C 799273221 SIFBFOOVAOQKCB-INIZCTEOSA-N 436.534 0.486 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCO[C@@H](C)C1 807619510 ZGOWQQWNSMXMEF-OYHNWAKOSA-N 427.457 0.942 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CCC1 814252843 LKQXTPBLAOQHEA-UHFFFAOYSA-N 449.483 0.458 30 20 ICED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 816755667 GKBGZIFQMHCSIX-OAHLLOKOSA-N 440.478 0.800 30 20 ICED NS(=O)(=O)N1CCC(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 914900285 XLPRLHOZWWRTIB-UHFFFAOYSA-N 447.435 0.632 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCOC 916198303 LDPRNAGXTYTBDI-UHFFFAOYSA-N 437.468 0.490 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 916778383 ZTBBUNDHXKHWTH-UHFFFAOYSA-N 439.471 0.432 30 20 ICED N#C[C@@H](C(=O)Cc1nc2ncccn2n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917009816 AHLJJEFXKSCVTI-INIZCTEOSA-N 434.416 0.633 30 20 ICED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 918757840 KHUVNHRLRKGDQE-UHFFFAOYSA-N 433.559 0.869 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C1 1302474709 KYBLKNIFEMMXPU-MRXNPFEDSA-N 435.554 0.422 30 20 ICED CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1315073159 KFDMUTHALGTGCX-INIZCTEOSA-N 441.514 0.261 30 20 ICED CC(C)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 1318049829 UEYQQXUZXMPMRL-BXWFABGCSA-N 447.513 0.782 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1505140838 WHTOKWDZLCGUIV-WMZOPIPTSA-N 441.517 0.827 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(-c2ccc(F)cc2)c1C 1654691587 WHUZFDNHBXBUSK-UHFFFAOYSA-N 426.452 0.673 30 20 ICED CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1692473391 SFCIHOYMZCDUMH-HOTGVXAUSA-N 427.575 0.690 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1693747943 PASXWGOVMTWRKZ-GOEBONIOSA-N 428.518 0.918 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1706071838 YJSCKOWOZXJOLZ-HUUCEWRRSA-N 427.575 0.595 30 20 ICED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1770731169 IKCYLLSDBZQLSP-GOSISDBHSA-N 434.497 0.646 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1771345173 BUZJCVBAYPEPRI-YLJYHZDGSA-N 431.518 0.982 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777779565 WFEDIHKCEWINGY-HRAATJIYSA-N 426.477 0.223 30 20 ICED Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1=O 1779061473 ZJDJWZRBIKXVIQ-HSZRJFAPSA-N 427.501 0.527 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779201344 WLQFCSLMBMWYMP-GYQJYAJYSA-N 441.525 0.138 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1779314661 JHXRMDRMSRLGQM-SIKLNZKXSA-N 444.488 0.161 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1779332185 CAECKDLVWLZVDE-DXEZIKHYSA-N 425.526 0.136 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781049844 VFPXXQRRSIOJPE-PITQQHRWSA-N 431.555 0.662 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781420898 WYMCKOWVLMLWQR-KKSFZXQISA-N 448.524 0.577 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cc(Cl)ccn1)C2 1782010817 ZPJJKIKUPCCAJZ-FOIQADDNSA-N 435.864 0.716 30 20 ICED O=C(CCc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1782637129 SHALCLSPVPUDFD-XZEIMLRBSA-N 427.461 0.657 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3F)[C@H]2C1 1783381424 ZFYGPPIHGTVWHJ-KNCIGBOWSA-N 434.443 0.812 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1OC 1783556595 SOFHZYIXNRGMKI-FQEVSTJZSA-N 436.848 0.889 30 20 ICED Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc2c[nH]c3nccc-3c21 1783566885 MMPHXVKJYJLJGL-QFIPXVFZSA-N 435.440 0.538 30 20 ICED 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)CC#N)CCO2)C1 1783582549 ABOLFQFESJSNCM-YYOIWWGISA-N 448.520 0.489 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)C(=O)O 1783603508 JNKRJUAVQCXZAQ-OKYOBFRVSA-N 428.489 0.143 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983096 VNTIIIGRPHDYBV-LJQANCHMSA-N 445.438 0.193 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784507086 BSZSTCRTSKXTNJ-JOCHJYFZSA-N 430.553 0.691 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1785379751 DKMWCPMLZUHMNC-HXUWFJFHSA-N 440.416 0.712 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1785572064 IQMXRYNXRJRDNQ-ZHRRBRCNSA-N 433.505 0.712 30 20 ICED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n(C)n1 1785614989 OOHYFQUAJHQDJB-MOFWARSWSA-N 449.508 0.551 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)c1 1786803654 JVODFFPJGGBBFC-WNHJNPCNSA-N 427.505 0.053 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)c1 1790270682 WEHLPVCFBOKCDU-UTYWTXRGSA-N 442.516 0.111 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnccn3)[C@H]2C1 1791653996 JFKKYMHKOJGIAG-OIMABFAESA-N 427.505 0.247 30 20 ICED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21)n1cnnn1 1791687453 LICDJMATTARBKJ-CJCBUOBESA-N 441.467 0.467 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1797711569 YJNLWGUKEDCUPC-YYAJDYIMSA-N 442.520 0.517 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(OC)c1)C2 1798267182 ZKCFSZLEGSZCGT-YYAJDYIMSA-N 430.461 0.883 30 20 ICED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1800542824 IIGUZIYPAIARER-LXTVHRRPSA-N 447.479 0.673 30 20 ICED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1800710780 SDHDIFFJZXCAMS-XLMAVXFVSA-N 433.505 0.235 30 20 ICED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C/N=C/c2ccco2)C3)c(=O)nc1O 1804093687 RLSRINZVNKIHGG-HEGYHEIJSA-N 427.461 0.608 30 20 ICED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804169807 BPCAAPMNZOQQRM-DNVCBOLYSA-N 431.518 0.558 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCNC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1804461129 CINOZRRKMTVESS-IERDGZPVSA-N 437.456 0.324 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1806359843 HARGZJNXJKVKIR-HNNXBMFYSA-N 425.526 0.998 30 20 ICED O=C(COCCO)NC[C@@H]1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)[C@@H]1c1cccnc1 1808612601 GUFJTLGOEOHVOM-BSIQHXKISA-N 434.493 0.625 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810284143 KEBOIIJMLHJMTK-NQFYQGIVSA-N 425.497 0.246 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1nccn1)CC2 1819907254 NMHCPGVJSNIRKB-AXYUZHTFSA-N 433.494 0.876 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCNC(C)=O)CCN2C(=O)OCc1ccccc1 1829310973 KEHGWWUPLDCUPL-QHCPKHFHSA-N 440.500 0.598 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C)C2)C1 1829769448 SNDOALFFGHSGDO-AXKGWLQCSA-N 427.501 0.923 30 20 ICED COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1829939695 BQTAAEDIONLXPP-MAETVRKBSA-N 427.498 0.397 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)c(F)c1)CCO2 1830295750 INIHTIXOCCPZTD-HXUWFJFHSA-N 438.839 0.566 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831388612 VBENHCAMGZLZGK-JPYJTQIMSA-N 425.485 0.595 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831410982 IWXCTBOBPNNTNP-IBGZPJMESA-N 437.453 0.371 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831435119 LSBJXXQPTLKAJI-VGOFRKELSA-N 428.489 0.995 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833900831 CJRIHCIROWCMTG-YWZLYKJASA-N 437.497 0.612 30 20 ICED Cc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834268155 KISZTAQDGLNODL-OKFCBPFISA-N 435.550 0.993 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677338 GBXGXXQTWUJVDG-NRFANRHFSA-N 432.525 0.378 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCNC5=O)CCO3)C2)C1 1836776190 MXIYYRAZZQIYRY-JOCHJYFZSA-N 443.504 0.053 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1836848483 OTBSRGMWKFCXEI-NRFANRHFSA-N 435.444 0.313 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837277919 BUEWXWVBZFZHDA-YXZMJPADSA-N 425.595 0.737 30 20 ICED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837634781 ABOADPAYTOBEQP-KRWDZBQOSA-N 438.525 0.784 30 20 ICED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)c1 1837882371 YPKLWXUQZPRJOJ-HXUWFJFHSA-N 441.532 0.763 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837906354 LDSWEQMATQUSDA-QHCPKHFHSA-N 445.491 0.989 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1838197792 JCNHXHCCQAKROL-QFIPXVFZSA-N 427.505 0.911 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105210 URGBNRPGDOGJOM-NFBKMPQASA-N 434.581 0.272 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839175398 GZMBEYUPUWINOW-AVRDEDQJSA-N 437.537 0.294 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)ccc1F 1839189598 VBHPPVMOCVYSRA-LANGDILFSA-N 443.475 0.589 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c1 1839710581 NMTVXZCNYLLCOE-JTSKRJEESA-N 438.488 0.789 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1)C(F)(F)F 1839892442 MZKUMBDOGNIFDG-IBGZPJMESA-N 448.486 0.199 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1)C(F)(F)F 1839892982 LBMBLMSVXWEYFL-GOSISDBHSA-N 439.394 0.918 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1840170262 ULRPZNYMWVSSDK-LAUBAEHRSA-N 439.509 0.089 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@]3(F)Cl)CCO2)C1 1840243676 GERNXXJGTBPPCI-MDASCCDHSA-N 430.908 0.649 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840407975 ACXKRZCYLXBOBU-OAQYLSRUSA-N 434.493 0.295 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C)=C/c3cccnc3)CCO2)C1 1840411960 KRXMTOQGJSZSFD-GAFXBCEWSA-N 427.501 0.980 30 20 ICED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1 1840811359 IXGLUOPCNUOZDS-WMZHIEFXSA-N 443.500 0.879 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CCC1 1840814803 ZGYDPGNNLBRKFO-DKQKECBASA-N 434.493 0.666 30 20 ICED COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818154 NLYSGWVPWCFFHU-QFIPXVFZSA-N 431.489 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CN3CCN(C(C)=O)CC3)C2)c1 1843973706 CQHQWMHVXJAPNZ-UHFFFAOYSA-N 439.516 0.548 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 410160211 DDIZIFNQNSQYIU-OLZOCXBDSA-N 431.540 0.238 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)c1 441957961 VHYFRRFTSZUPGU-HNNXBMFYSA-N 425.510 0.737 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C)nc(C#N)c3C#N)CC2)cc1 442910522 DMZKTVLBINHCTP-UHFFFAOYSA-N 428.474 0.477 30 20 ICED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 446760196 RVEVJBAJFDTNPZ-UHFFFAOYSA-N 431.474 0.774 30 20 ICED Cn1ncc2c(N3CCN(C(=O)CN4CCC[C@@]5(CCCCO5)[C@@H]4C#N)CC3)ncnc21 447903877 OLSDZVRBUKXBEN-AVRDEDQJSA-N 438.536 0.939 30 20 ICED CCc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CCO2)o1 448418542 VPURYHJMMQEJBY-HNNXBMFYSA-N 439.407 1.367 30 20 ICED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 463668658 WHNPEMGXPMBORW-UHFFFAOYSA-N 436.515 0.725 30 20 ICED C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)n1cnc(C#N)n1)n1cnc(C#N)n1 467476303 SKZRMQLZNMJCPL-KLHDSHLOSA-N 438.496 0.663 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccn(CCC#N)n1 469704992 IUCNWPOXKSNNOA-UHFFFAOYSA-N 434.478 1.470 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 471805570 RVUVRGYTKPFYLJ-IAGOWNOFSA-N 433.534 0.288 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCOC1 478857244 OQUAPSDBSNUQEN-HNNXBMFYSA-N 427.530 0.529 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 483681207 KVJOOIPRGKEWBM-UHFFFAOYSA-N 442.501 0.457 30 20 ICED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 501709978 NMUFUUAKTPPEBK-UHFFFAOYSA-N 426.502 0.947 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 501924328 RERKUXNZAPYAOB-SWLSCSKDSA-N 435.462 0.355 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 509583856 OZAGZTAHKXEBOR-UHFFFAOYSA-N 434.562 0.876 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCOC2)c1=O 512724783 GWJOGZLLWQBAQF-OAHLLOKOSA-N 441.557 0.725 30 20 ICED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC 517634669 RIULGRVTMHCGGN-KRWDZBQOSA-N 445.497 0.993 30 20 ICED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C 521375927 GUDGLDCHZLBBHT-MRXNPFEDSA-N 428.518 0.981 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CC(N)=O 524281194 LKUWXUZAENLGEX-UHFFFAOYSA-N 440.344 0.947 30 20 ICED Cc1oc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 533239458 LKBWYGUGPJEDCN-OAHLLOKOSA-N 438.554 0.205 30 20 ICED N#Cc1ccc(NCC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1 538610864 AAUUSFOQWKIGBW-UHFFFAOYSA-N 429.458 0.326 30 20 ICED CCO[C@@H](C)c1noc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 540347178 WVRJAPBUAKWSQS-OALUTQOASA-N 447.584 0.977 30 20 ICED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1OC(F)F 540868990 IOTGZVQORRCXEG-UHFFFAOYSA-N 435.452 0.719 30 20 ICED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)O1 541131172 IOPKLQRDLJFDBR-CJNGLKHVSA-N 428.424 0.574 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 542330913 PLMNHYRZORCNNI-UHFFFAOYSA-N 443.504 0.289 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)O)CN2CCOCC2)c1 548217823 RFIFGDCEVNDRGF-INIZCTEOSA-N 425.507 0.446 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c(Cl)c1 548289694 XXYJUYWEZUQRMA-LBPRGKRZSA-N 447.900 0.166 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)nc1 550133513 PWMCNZYPQOZHCF-UHFFFAOYSA-N 448.527 0.750 30 20 ICED CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(=O)NCC#N)C1=O 553775189 RRDXNSJGSBMDAD-DOTOQJQBSA-N 429.477 0.609 30 20 ICED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@@H]2CCCCO2)cc1 555465243 BEHZBLMURWZMRU-MSOLQXFVSA-N 435.488 0.533 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccnc3N3CCOCC3)CC2)nc1 556008742 UTXOKBGVBOBAEJ-UHFFFAOYSA-N 435.488 0.150 30 20 ICED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 567388148 GTJMZJXUOBECPV-CPUCHLNUSA-N 434.518 0.450 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 578564730 MARZLSKVVOBREK-INIZCTEOSA-N 427.442 0.226 30 20 ICED CCNC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 584284538 SSVFQAYIWVIBRE-UHFFFAOYSA-N 430.486 0.668 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2C)c1=O 603797371 YARAVOSMYJACCJ-UHFFFAOYSA-N 440.569 0.580 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)n2)cc1 615373897 ZTJNBLQGZMSUMT-GOSISDBHSA-N 447.430 0.975 30 20 ICED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731291098 MDWBFHWBWHLMMJ-UHFFFAOYSA-N 427.527 0.398 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 736405768 MLYCFOKUNLFDGH-UHFFFAOYSA-N 448.545 0.879 30 20 ICED C[C@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742687541 MAEJCNRLRVHXGE-IUODEOHRSA-N 430.490 0.159 30 20 ICED C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)ccc2c1=O 744624168 FQRRQENBYIHXBQ-FKIZINRSSA-N 427.486 0.979 30 20 ICED COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 746119589 MMSSVBSYKKCAEB-QZQOTICOSA-N 442.472 0.905 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 761023375 HAOUXPPPPIGKCZ-UHFFFAOYSA-N 433.303 0.612 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776745168 XIARUPPRPNFRSF-BDOMAPNXSA-N 448.545 0.982 30 20 ICED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 794645756 QPDNQMAHRRWVEF-AWEZNQCLSA-N 440.477 0.730 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@]1(C)CCC(=O)NC1 798822416 VJMYUMIFZGMFJT-OAQYLSRUSA-N 426.429 0.826 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 804055666 OONBKGSLLGNREW-JKSUJKDBSA-N 428.493 0.052 30 20 ICED C#CCN=c1nc(N2CCC(C3OCCO3)CC2)[nH]c(N2CCC(C3OCCO3)CC2)n1 804404369 MPPBKRFLQHZVPQ-UHFFFAOYSA-N 444.536 0.517 30 20 ICED CC[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)S1(=O)=O 805397903 DEYRWYGBJPTUQD-ZIAGYGMSSA-N 427.548 0.929 30 20 ICED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 807305131 RVFQVEORULFBFR-GXFFZTMASA-N 436.412 0.854 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)cc1 916198686 STNILARQIZHMEL-UHFFFAOYSA-N 429.542 0.774 30 20 ICED COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1300330900 YVEUDPIXJDPIQA-SJLPKXTDSA-N 426.477 0.949 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1303836482 MDLHDACBKWLZKM-SJCJKPOMSA-N 429.522 0.493 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1315067830 QHDGHNFXOVGMDE-GOSISDBHSA-N 448.549 0.996 30 20 ICED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)c1 1505122133 PCWCHNJHQPJYPZ-KXBFYZLASA-N 433.490 0.229 30 20 ICED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505321186 JJOWCOSMWBUFGQ-KRWDZBQOSA-N 439.476 0.155 30 20 ICED Cn1c(O)nc(N2CC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2)cc1=O 1558583435 WOPQKWPEIDEJNY-LBPRGKRZSA-N 448.277 0.894 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1611686752 LSRHFXJEHSFKBG-PBHICJAKSA-N 429.522 0.053 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1611686882 NTGFIEWBRZKLFX-PMUMKWKESA-N 425.534 0.815 30 20 ICED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696589642 LMJNIAFPLKKAPT-MRXNPFEDSA-N 440.483 0.655 30 20 ICED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1712711408 LVGZUFLMOVKIHJ-QGZVFWFLSA-N 443.533 0.567 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1769129839 YEZZZBGZEGRCFC-HNNXBMFYSA-N 439.520 0.917 30 20 ICED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778917123 WRRSXNSDHHMMTE-DYESRHJHSA-N 428.493 0.448 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779360607 FDBNIZSDNLOLND-JPFMVSBKSA-N 435.525 0.424 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779417725 MOVMAQODYUTFEE-SZVBFZGTSA-N 431.480 0.362 30 20 ICED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(F)c(C#N)c2)C1 1780754427 VEGGIHZAVATUNJ-XMSQKQJNSA-N 430.480 0.890 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c(C#N)c1 1783178798 QJULQMCCGHRILP-IVZQSRNASA-N 428.489 0.464 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)[C@H]2C1 1783445188 BFNZHWAGYWZWLQ-FVCZOJIISA-N 425.485 0.661 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784397166 OQVZYLDEGXULIZ-FQEVSTJZSA-N 442.501 0.677 30 20 ICED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]3C2)cn2[nH]cnc(=O)c12 1784536860 GGRZKNCRPZWRNY-OWIUFQIYSA-N 447.561 0.879 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787260103 VRARLDVSWWNUCW-RIGXYXMPSA-N 438.488 0.181 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787512633 RJBMCWPUOOIKEG-ZKORBPAESA-N 440.543 0.511 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788670258 VGFHZXXBLFMSOT-UOVPBQLFSA-N 448.520 0.266 30 20 ICED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c(O)n1 1789761244 QMTKKDIDFCDBLP-IQLMPHEPSA-N 444.532 0.222 30 20 ICED CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791079289 DLZJPWVCGAHEDI-KKUMJFAQSA-N 435.477 0.111 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCNC(=O)C4)[C@H]3C2)c1 1791347016 DPZZOWUYQOWFGM-FVCZOJIISA-N 440.500 0.686 30 20 ICED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)c1F 1794495270 FVKDRZAAAXKYIQ-XZXUHBSQSA-N 437.472 0.600 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cnc2ncccn12 1797028478 RSNCHPSWIRQJCK-XEMDLRDOSA-N 437.500 0.631 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1797686597 PJXPBQDPLQVCMA-ZHCJQAHYSA-N 449.504 0.331 30 20 ICED CN(C)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)c1 1797808682 MPTMXMIOVBIEKJ-SFKKXUDOSA-N 445.520 0.880 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@H]1C(=O)OC 1800955251 MJGSTAOPKVJTKH-WXJALIKYSA-N 434.533 0.905 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802114862 GJISMWUTQIRCTN-RDPOXOKHSA-N 427.501 0.353 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN(C)C(C)=O)[C@H]1c1cccnc1 1802475665 AKGARPDZCBPCRW-JTEGUGKQSA-N 441.532 0.814 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCC(=O)OC)[C@H]1c1cccnc1 1802482130 MCEIKTNXLJVDTE-JZXMRFPWSA-N 428.489 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2ccnn2)[C@H]1c1cccnc1 1802489762 LWWAUNYDSPBWFW-UNGYTHKISA-N 437.504 0.799 30 20 ICED COc1ccc(CC(=O)NC[C@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)c(C#N)c1 1808167132 MCGHIKJJCYKIOX-VGOFRKELSA-N 449.515 0.693 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810351673 NWJVXPBVGMXPLP-WGQQHEPDSA-N 447.536 0.539 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810398853 HITKYCMVSOVRTR-MLANGZAPSA-N 449.467 0.725 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)c1 1811541089 RJILGLMSLQWOSQ-CUWPLCDZSA-N 438.488 0.252 30 20 ICED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811791907 ZBKSEZNUTKCPOD-NQIIRXRSSA-N 446.467 0.825 30 20 ICED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)cc1 1811887873 RYGRLQQBMKCGSB-IRFCIJBXSA-N 434.500 0.866 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1 1819242688 YESHHKQLLOGXLO-PBHICJAKSA-N 429.437 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1824490017 XTBOGJGYQHGLOU-QAPCUYQASA-N 440.504 0.689 30 20 ICED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976077 SNIPNSALSIAZHH-SFHVURJKSA-N 438.594 0.886 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ccc(F)cn3n1)CC2 1825671869 RTRRFSZGRJLHJX-SNVBAGLBSA-N 428.405 0.639 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSC(=N)N)CCN2C(=O)OCc1ccccc1 1828946049 ACYKTTQEBURDGZ-NRFANRHFSA-N 443.529 0.698 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCN2C(=O)OCc1ccccc1 1829154237 MTBQASJJECZDBV-QFIPXVFZSA-N 437.456 0.814 30 20 ICED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902114 HRECUIRUHMHQCC-LXBDKUERSA-N 428.533 0.931 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 1831386557 AIBZHNALZPEMCC-AOMKIAJQSA-N 434.464 0.943 30 20 ICED O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/C(=O)c4cccs4)C3)C2)O1 1831568018 QIHFEZFHPISYAR-WBWBKCFTSA-N 449.485 0.052 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831589610 VYDILQRNRPFQPO-NVOGPPJNSA-N 439.484 0.864 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCc5sccc5C4)CCO3)C2)CC1 1832584704 MMBQNNGZJNTNLQ-QFIPXVFZSA-N 444.557 0.866 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832763510 PQCOBFPGXMFLFL-HTAPYJJXSA-N 433.505 0.680 30 20 ICED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028041 IUUPOEVEKQWTIP-QKKBWIMNSA-N 432.477 0.025 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833491585 PABGHHUGAHIJOV-NQIIRXRSSA-N 442.626 0.163 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705219 DEFVSLWOVVJQSY-JPYJTQIMSA-N 430.501 0.899 30 20 ICED Cc1c(F)ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1N 1834777626 ZPDZJBLDDCAMKC-UHFFFAOYSA-N 430.480 0.990 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H]4COc5ccccc5O4)C3)C2)CC1 1835338544 KYUJMDDKDXOOGJ-HXOBKFHXSA-N 441.484 0.977 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)CC1 1835344629 NABDGCDCNCZPAQ-KNQAVFIVSA-N 440.456 0.481 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c([N+](=O)[O-])c1 1835358894 MGDWICPXFSQHML-OAQYLSRUSA-N 446.460 0.906 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836814912 OBGOAXXVMOZNRQ-QVKFZJNVSA-N 444.492 0.829 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2)C(F)(F)F 1836849909 AZENQRGRTCYXPT-GOSISDBHSA-N 439.394 0.918 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836873892 GGXZHKAUAIKXFU-JOCHJYFZSA-N 425.489 0.993 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1837394923 KYKUEMJLSYMVSX-YCRPNKLZSA-N 438.500 0.754 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837442216 SYXSSJLGRHRYNE-MQHZAWOVSA-N 438.528 0.966 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837524989 RCWQJROOTZHNRP-DWBVNXOXSA-N 449.508 0.328 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837532708 FHGVSINWKGAYRY-WCNTUGILSA-N 437.493 0.666 30 20 ICED NC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccc1 1837896882 KCEDAPVGHOYJSZ-FQEVSTJZSA-N 427.501 0.816 30 20 ICED COCCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736239 SBJOPFBYQMZZRG-OAQYLSRUSA-N 442.476 0.113 30 20 ICED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838738181 VHDCJLUVZXEXFX-OAQYLSRUSA-N 427.461 0.745 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c1 1838904587 OGDFGOAWKJKNAJ-DENIHFKCSA-N 425.441 0.955 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1838906766 DONOKNZJTGRTHC-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#C)C2)C1 1839130778 UHLTWOHLALQYOT-JPYJTQIMSA-N 447.532 0.773 30 20 ICED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1839164396 MOKNYMCQVOYXEK-NQIIRXRSSA-N 437.613 0.628 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839538166 WHSYHJYMCRNYLS-JTSKRJEESA-N 426.473 0.443 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)Cn2cnc3cc(Br)ccc3c2=O)C1 1841647749 HXQMNLCTTUSMMU-UHFFFAOYSA-N 429.274 0.996 30 20 ICED CCOC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31255436 LTDVHAIOIBXJED-SFHVURJKSA-N 448.545 0.809 30 20 ICED N#Cc1c(F)cccc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 428276121 KPZAWOZJBBJWKT-UHFFFAOYSA-N 436.469 0.637 30 20 ICED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3(CC#N)CC3)c2)CC1 430389552 QUOLXIDECNSQKS-UHFFFAOYSA-N 433.534 0.761 30 20 ICED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 430406519 GYIYIMISMFKVKU-YJBOKZPZSA-N 445.545 0.498 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1=O 440251077 ARCOAHYSOTXNEN-KRWDZBQOSA-N 434.518 0.105 30 20 ICED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 440887011 NLOXSWSHRAJRMV-UHFFFAOYSA-N 427.548 0.837 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 441930014 RBVKHUYOXLVKCE-AWEZNQCLSA-N 431.489 0.351 30 20 ICED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)cc1 442004682 SWIIBHFXUBKAKS-MRXNPFEDSA-N 433.424 0.458 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n1 444506292 NFBRZNRJQMTXGN-UHFFFAOYSA-N 448.480 0.844 30 20 ICED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448501138 KUBQUVGFDLHXEJ-UHFFFAOYSA-N 427.505 1.377 30 20 ICED C[C@@H]1OCC[C@@]12CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CCO2 470941277 URZCUWUTLSFJIR-LAUBAEHRSA-N 448.545 0.271 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)c1C#N 472875131 ALDWXNVZLLERJR-UHFFFAOYSA-N 429.868 0.640 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 503336409 GKXCEHLEIPPUAM-UHFFFAOYSA-N 441.532 0.554 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CCN(C)CC2)c1=O 505659733 KBFZGEHOUGXOBW-UHFFFAOYSA-N 440.573 0.344 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)cn1 507564775 FNYBKTJXAWJEPY-UHFFFAOYSA-N 446.514 0.788 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 508613811 JOXAIAFUKQDLMI-HNNXBMFYSA-N 428.411 0.920 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 512110508 SLNCLEJHBQFMML-STQMWFEESA-N 431.449 0.857 30 20 ICED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 522017428 ZMFGWSWPVHSSBI-UHFFFAOYSA-N 430.513 0.942 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 526038224 KSQINWCMKJBGJF-NSHDSACASA-N 449.891 0.686 30 20 ICED CN(CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)S(=O)(=O)c1cccs1 538102543 MEXMEGWBIPRKLJ-UHFFFAOYSA-N 438.535 0.947 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 538348643 CMTJAUIBVHFEBM-DLBZAZTESA-N 439.607 0.859 30 20 ICED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548369947 KJXWXBIYBPUKBE-UHFFFAOYSA-N 440.507 0.169 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)cc1 548742934 YKOLMPAIGDPIOC-MRXNPFEDSA-N 425.507 0.432 30 20 ICED N#Cc1ncn(CCNC(=O)NCC(=O)Nc2ccc(I)cc2)n1 554168613 XRTYCDWAUIDGRO-UHFFFAOYSA-N 439.217 0.692 30 20 ICED C=CCC[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 557900715 SQVNEXGKZVIQHQ-HXUWFJFHSA-N 428.533 0.813 30 20 ICED C=CCN(C(=O)C(=O)Nc1c(C(=O)OC)cnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 568735246 BHBNKWKGGBFUKZ-CYBMUJFWSA-N 438.448 0.897 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 568907524 KGLWZMFTMOTGKK-UHFFFAOYSA-N 436.472 0.616 30 20 ICED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588869087 XUUOOFPIDPBCGT-CPUCHLNUSA-N 434.518 0.055 30 20 ICED CS(=O)(=O)N1CCN(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 589250792 QNCMPJBVUJQZNX-UHFFFAOYSA-N 432.468 0.933 30 20 ICED C[C@@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)CCO1 589315032 VUDFQZXTFIJOHF-OAHLLOKOSA-N 429.502 0.773 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 590909394 GCSUSFYHWQFHNM-UHFFFAOYSA-N 445.497 0.323 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729674181 FGNZQQWMHLUFPX-UHFFFAOYSA-N 425.557 0.045 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731504964 PDMMRWVCTVSLBH-OAHLLOKOSA-N 444.425 0.982 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732798066 WZHJMCIWTMTDIT-AWEZNQCLSA-N 429.546 0.894 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2CCS(=O)(=O)C2)C1=O 735225509 KTPQUFGXKCXBMU-BXUZGUMPSA-N 425.488 0.670 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn(C)c(=O)cc2C1 744622481 CWFFUWCDNBMSRV-QGZVFWFLSA-N 443.529 0.963 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 746500043 RTHVQNLEFVPQEX-UHFFFAOYSA-N 438.532 0.640 30 20 ICED C[C@@H](CC(=O)N1CCC(N2CCCNC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748921846 MBOFIYCSBALTQX-AWEZNQCLSA-N 433.534 0.910 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1 749019255 XSAIIASFVPVRJD-UHFFFAOYSA-N 445.453 0.659 30 20 ICED COCCN(C(=O)COC(=O)c1cc(C#N)cn1C)c1c(O)nc(=O)n(CC(C)C)c1N 751730308 UOAWJQDVKWOHDE-UHFFFAOYSA-N 446.464 0.234 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 753817619 KAWLPXZJWKPYCU-UHFFFAOYSA-N 444.425 0.877 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 755208080 OHHJABFMJZHSNR-UHFFFAOYSA-N 428.474 0.561 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC2(CS(C)(=O)=O)CCOCC2)c1 756638117 ZMZMQWKIACFOJI-UHFFFAOYSA-N 429.516 0.596 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 756658368 JEAVPLOJIZOHGP-LSDHHAIUSA-N 447.496 0.622 30 20 ICED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 756935484 DRJVZNWTGCLXSZ-UHFFFAOYSA-N 447.473 0.847 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758954408 LEIZPZSVEOLVDR-UHFFFAOYSA-N 425.466 0.308 30 20 ICED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 759037749 ZIRRHNNWCNIEKE-UHFFFAOYSA-N 425.445 0.009 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)Cc1cccc(OCC#N)c1 760626312 RUWRXWCFCDOONJ-UHFFFAOYSA-N 433.442 0.969 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccn(C)c3)c2=O)cn1 763459395 AHMOIBYGASLHCA-UHFFFAOYSA-N 445.508 0.991 30 20 ICED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O)C1CC1 768752266 WPWMYPLEXYQUHH-RBUKOAKNSA-N 434.449 0.559 30 20 ICED C[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1O)/N=C1/NS(=O)(=O)c2ccccc21 777444624 PPMJBMWDWSJOSF-SNVBAGLBSA-N 438.487 0.495 30 20 ICED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)CC1 777991599 HWXADVGFIYVXFK-UHFFFAOYSA-N 428.514 0.854 30 20 ICED COC(=O)c1cc(S(=O)(=O)N2CCN(CC#N)CC2)ccc1I 778617323 QHPFICOPUUHLAU-UHFFFAOYSA-N 449.270 0.908 30 20 ICED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCCC3)C2=O)cc1 779318507 RKKWPCCGHZOGCB-IBGZPJMESA-N 448.501 0.992 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H](C)n1cnc(C#N)n1 798822601 ZJUQSANQZGGGIB-LBPRGKRZSA-N 435.400 0.634 30 20 ICED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 804402343 STNDGIBEMRQTCD-KRWDZBQOSA-N 428.493 0.775 30 20 ICED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 804747244 LSKJJYSBSWBDIY-GOSISDBHSA-N 427.505 0.958 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@@H]1CCCO1 809311044 SSFSQEWUIZBVGX-MSOLQXFVSA-N 445.516 0.654 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 809427098 MAPIZQGIDFIHGS-UHFFFAOYSA-N 434.456 0.875 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(CC(N)=O)CC1 880165041 KJEJWCCOYXONTL-MRXNPFEDSA-N 435.550 0.206 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 917036211 VRDQFLSKTLWNKX-LZLYRXPVSA-N 447.513 0.098 30 20 ICED Cn1nc2c(cc1=O)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1116209869 VPSXZUPBSOYVPP-UHFFFAOYSA-N 441.513 0.638 30 20 ICED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507854546 OORCFDRCIBJNDI-UHFFFAOYSA-N 432.916 0.989 30 20 ICED CS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1519620413 QMPKBACAWZAGRR-KRWDZBQOSA-N 426.449 0.987 30 20 ICED N#Cc1cn(CC(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(=O)nc1O 1611107453 MQOWYRZHGXKCQK-ZDUSSCGKSA-N 435.362 0.757 30 20 ICED CCCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1728229125 XIGOEJVZQCKSAI-GOEBONIOSA-N 449.537 0.849 30 20 ICED Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n(C)n1 1742664428 PEGLZIQOKHTOPD-UHFFFAOYSA-N 440.533 0.989 30 20 ICED CCN1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1746435595 MPWMGWCEGGDFMI-PKOBYXMFSA-N 449.625 0.946 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1768585614 UNRPSASDPCFRKQ-QGZVFWFLSA-N 434.522 0.350 30 20 ICED Cn1c(=O)n(C)c2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC#N)C4)ccc21 1778611034 ZIMJCSDKXDDITR-XMSQKQJNSA-N 425.489 0.918 30 20 ICED N=C(N)SCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104049 FKDGZEOZWONQRC-AIFGKWQTSA-N 427.527 0.362 30 20 ICED COc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COCCO)C2)c(C#N)c1 1780766244 BBDKNVHQSPOBCW-NFBKMPQASA-N 445.516 0.632 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1780807113 HUFPWWGICZKDRM-WHSLLNHNSA-N 434.493 0.226 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)cc1C#N 1781320912 UNIUDOVYQKNMHP-QFIPXVFZSA-N 431.489 0.798 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1781395459 QVBUTMHTKUOCFU-YCRPNKLZSA-N 446.508 0.261 30 20 ICED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783441612 YKPORXUJGCSWSD-MUGJNUQGSA-N 441.532 0.917 30 20 ICED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783904796 CEKPVUKCSFPXFU-HTAPYJJXSA-N 437.537 0.896 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785375492 BFLNGBYHBKACCZ-DORXLWPQSA-N 427.457 0.886 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785639961 QLJTVZHOAXDCLZ-MPGHIAIKSA-N 432.477 0.751 30 20 ICED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C[C@@H]32)CC1 1786696811 NAHPFLJMHFANLN-BPUTZDHNSA-N 443.529 0.175 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1786859214 XONUHFXJDLEPRA-BQFCYCMXSA-N 444.536 0.541 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnn2ccncc12 1788032299 LTKCKRCDZSXZEJ-ZRRIGXHUSA-N 439.520 0.794 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CCc3ncccc3-4)[C@H]2C1 1789184640 MAYAPSXKHJPICQ-OWQGQXMQSA-N 449.467 0.252 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1789345163 XVCKUCICOJZVTJ-QSCHEVOUSA-N 444.517 0.282 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327930 GHDGHBRKGHQCKV-GKEYINFOSA-N 438.488 0.539 30 20 ICED CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791307048 URDMUQCYEUVBQL-FNWFUWEKSA-N 443.566 0.609 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832462 PPKFETKXLCHQRO-KJLVNVKXSA-N 426.517 0.947 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1795600614 AURIUOMCYNPLIH-REPLKXPHSA-N 448.564 0.791 30 20 ICED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O)c1cccs1 1796345480 NMSQHINPBZCWKK-GVBSGIKUSA-N 444.469 0.592 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1796597248 FBHQLTBIQKSVLE-COHUGYILSA-N 429.477 0.445 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c1 1798099655 JOOCWNAIGSQMFU-HGKCTWBKSA-N 435.440 0.872 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(=O)cco3)C4)c2c1 1799883656 XLFFMKKMBRKSLL-HBCWATKFSA-N 433.424 0.905 30 20 ICED 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[nH]1)C2 1802125069 NPFYCINPFXVBPX-JYYAWHABSA-N 431.493 0.530 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1 1802478290 RWSHDVSLMGLCIT-YRYWAHFMSA-N 434.500 0.979 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(N)=O)[C@@H]1c1cccnc1 1803545945 RIBXZTWPLFSTPA-WRWLIDTKSA-N 435.484 0.933 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)cc1 1807047201 CJXJUZBLRNZNCR-SVFBPWRDSA-N 434.500 0.866 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810290395 ITMBFEJMEYZBTF-MMEOWQQISA-N 449.577 0.994 30 20 ICED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819391694 RGRFUASTZRGXCM-FPQGOQEYSA-N 444.496 0.425 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)C1 1829671918 GXRKXTXZTMTUQM-OAQYLSRUSA-N 446.460 0.179 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1829770240 GJKNBTBNFSLBPY-YOXWTLATSA-N 448.907 0.663 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458579 UDWCSCGMBWJEEQ-HSZRJFAPSA-N 437.500 0.995 30 20 ICED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830768737 ZQKPMNQDRRUZQY-URXFXBBRSA-N 425.529 0.979 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1831402109 OAJFMNXYABHGPS-HTAPYJJXSA-N 434.464 0.699 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831484716 BXQDTKRFIVRLIO-LPHOPBHVSA-N 426.539 0.005 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1C 1831491660 DBBAKEWIDDEMHC-QFBILLFUSA-N 426.539 0.453 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831737018 QCYVXUKAJNHACN-QFIPXVFZSA-N 437.456 0.746 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831981763 IWGLFAVEHNJMCS-HPFMTEOYSA-N 442.516 0.390 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832200060 XSRSZJARKNEHGW-OAQYLSRUSA-N 426.477 0.437 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1833617387 GYXACPJLRBJPJJ-JOCHJYFZSA-N 430.505 0.564 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833785796 ZVNYMMOLFPASHX-YWZLYKJASA-N 438.912 0.773 30 20 ICED Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)NCCC#N)CC3)CC2)cn1 1834191687 INVFLGNWERBPIU-UHFFFAOYSA-N 429.569 0.887 30 20 ICED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC[C@H](N)C(N)=O)CC3)CC2)cc1 1834734944 GGZGCDZTAMIAKD-FQEVSTJZSA-N 440.548 0.336 30 20 ICED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c(F)c(OC)c1F 1834765820 WCJZXODPJKZTEE-HXUWFJFHSA-N 439.415 0.966 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095901 JRYLBAPKNAGRGI-JPYJTQIMSA-N 427.501 0.409 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837441867 HSMXZPKTWYCVLU-GZZLHRLQSA-N 436.509 0.034 30 20 ICED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1837531437 MSDJAQCILQKXAR-YHAFYQSGSA-N 449.508 0.246 30 20 ICED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531532 PBRFQQRTPPRREH-VABOSUEISA-N 447.492 0.384 30 20 ICED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)c1ccco1 1837560173 RNNMYEMLWLCKSO-FFCJBUTOSA-N 429.429 0.631 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837646030 LHHVTGBLJWBMTG-VGOFRKELSA-N 438.488 0.556 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837646439 YKFIHKNUFGHNHP-VGSWGCGISA-N 438.488 0.556 30 20 ICED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837806151 VRTDBVKZYMYZBI-DTXYYNOZSA-N 449.508 0.626 30 20 ICED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CCC(N)=O)CC3)CC2)cc1 1837842202 QZONATQIGRXZAK-FQEVSTJZSA-N 441.532 0.763 30 20 ICED COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949815 WJDBHLSIOZEORM-OAQYLSRUSA-N 447.513 0.534 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CC1 1838953392 UXRBVXYGIZTXEW-JOCHJYFZSA-N 441.484 0.972 30 20 ICED COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1839033972 IPVMRAXVXOOCSM-QFIPXVFZSA-N 446.525 0.947 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185970 UCKQONXHUMWVEZ-OAQYLSRUSA-N 435.452 0.315 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)ccc1F 1839189459 LTZUCCDRUGBINV-JTSKRJEESA-N 431.464 0.733 30 20 ICED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839344381 CIHQDINFXXRZJU-QHCPKHFHSA-N 442.516 0.897 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650264 MEUQGICPYGXUPU-FQEVSTJZSA-N 436.534 0.490 30 20 ICED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840130863 XVZXDUMESZVNQL-VBPKSARUSA-N 439.509 0.587 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840165093 VYOXKNQHKZXVJO-LGAWVEOZSA-N 445.541 0.671 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840429971 JSCUUEVUCUVZJF-AVRDEDQJSA-N 446.552 0.257 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1840736210 MIQHGTADDVMXFQ-HXUWFJFHSA-N 436.848 0.507 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)CCC1 1840815507 UNWSSTBEIGILPV-NRFANRHFSA-N 431.445 0.567 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1841747308 LAGIRRDMQGJZBU-CQSZACIVSA-N 447.540 0.992 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844286335 JBFUZJLWFXKNHS-RSMKWKGQSA-N 439.465 0.214 30 20 ICED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300467 KMSSUFNQNFYITC-BAOGCXAUSA-N 442.538 0.144 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN(C)C(C)=O 1848022300 YWBFLXZUTCHFSB-BZSNNMDCSA-N 434.537 0.973 30 20 ICED COC(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 31256747 LCOLVRNPFONKIX-UHFFFAOYSA-N 434.518 0.276 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCC(OCCN2C[C@H](C)O[C@H](C)C2)CC1 409484573 KTHGKZVHNFBTLF-HDICACEKSA-N 432.587 0.683 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H]1C 409499777 IBKQHQDAVGLTTR-SYMSYNOKSA-N 434.588 0.054 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)s1 410138256 QACRMMJYVPIYPQ-CYBMUJFWSA-N 436.581 0.380 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 430556970 LVDKMADHGANGAA-XCJLJZCSSA-N 434.581 0.923 30 20 ICED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 436122024 BUYGJNFAUIEDRE-LJQANCHMSA-N 428.514 0.897 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436594822 JBDNQGFZOHNZTK-OAHLLOKOSA-N 442.497 0.915 30 20 ICED N#Cc1cccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)o2)c1 438715515 WVZQJAXMCSUIAU-UHFFFAOYSA-N 442.457 0.807 30 20 ICED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1C 441012005 QHSIKRCTLDLTQF-IBGZPJMESA-N 440.504 0.451 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCOC1 441930690 SYXNYWHFCBCJAQ-SFHVURJKSA-N 441.553 0.911 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 465254592 BJSDDRIRNNUJGD-HNNXBMFYSA-N 439.501 0.891 30 20 ICED COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465483611 OCLQNHDQUNASEU-AWEZNQCLSA-N 431.474 0.799 30 20 ICED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)[S@]1=O 484705923 REXSJBKSTCRKFR-XMXPXJMUSA-N 438.575 0.232 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nn1CCC#N 491120514 ZIRUBTJVFXVACC-UHFFFAOYSA-N 439.432 0.937 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3nnnn3-c3ccccc3)CC2)c1C#N 502113249 CFVRJQTZWMJNIS-OAHLLOKOSA-N 448.491 0.102 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 512371347 HAPXIDKZXXSKDS-DLBZAZTESA-N 431.518 0.728 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc1 516094895 AIKJHHGLUHPQHL-UHFFFAOYSA-N 448.483 0.713 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 516372749 OJPIPWIBTQJVTL-OAHLLOKOSA-N 441.557 0.226 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2cnccc2C#N)CC1 516903528 RHZVSBXBNUUTTM-UHFFFAOYSA-N 430.490 0.370 30 20 ICED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 518243313 ICUMAPFUDUIZHD-VQTJNVASSA-N 431.489 0.865 30 20 ICED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1 522116461 OMEVYJYZIXFNCQ-UHFFFAOYSA-N 442.566 0.090 30 20 ICED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 523240087 UMUFCVVOIDZCAF-GOSISDBHSA-N 435.550 0.551 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc2c(c1)OCO2 527279946 ILUUQJOESZIVMG-UHFFFAOYSA-N 437.481 0.654 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OCC)n2)c1=O 531655158 HHKZMNISUVQJBB-UHFFFAOYSA-N 442.541 0.865 30 20 ICED C=CCNC(=O)CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 537499450 ATMYKTVGIPLXAA-GOSISDBHSA-N 425.507 0.569 30 20 ICED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542011522 UNIXZFITLMGKOU-UHFFFAOYSA-N 429.498 0.509 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 553014036 UUVSOVUZCPYATB-YOEHRIQHSA-N 436.534 0.359 30 20 ICED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1F 555550912 IWSZIYPBHJHZDU-UHFFFAOYSA-N 426.426 0.965 30 20 ICED CN1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)CC1 565736146 DYKHXOWMYFHBPQ-LEWJYISDSA-N 437.544 0.966 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 577978556 BOZXBNSHTPDNPN-IBGZPJMESA-N 440.500 0.825 30 20 ICED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 581509994 ALRZEDBUBAXILH-IAGOWNOFSA-N 432.502 0.205 30 20 ICED Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccnn3C)c2=O)cc1 603552945 BMCHLZUUBVTBJN-UHFFFAOYSA-N 435.509 0.303 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccc(C(F)(F)F)c1 608826716 LAZXXCNIFYCYRL-UHFFFAOYSA-N 447.442 0.959 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)c2cccs2)CC1 610705708 NFMIPYULPAPKLS-UHFFFAOYSA-N 439.540 0.927 30 20 ICED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 613326725 QNSPJLVPDXTFEM-UHFFFAOYSA-N 444.944 0.742 30 20 ICED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160370 CBKNYZYAFDFRBW-UHFFFAOYSA-N 447.520 0.970 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 729281875 QXVKVNDGFZXZAI-INIZCTEOSA-N 438.575 0.185 30 20 ICED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 733806251 XWKATFKTSQVNLE-GOSISDBHSA-N 443.504 0.580 30 20 ICED C=CCNC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 734044252 UBMRERRWTQIYCH-UHFFFAOYSA-N 438.396 0.889 30 20 ICED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734561825 NJESSLBQHULCCK-LJQANCHMSA-N 444.469 0.907 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CC1 749666931 OBBSBWWNBTYSMA-UHFFFAOYSA-N 431.493 0.664 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 755520591 NBXRUJLSZBEZFH-LTGZKZEYSA-N 435.506 0.129 30 20 ICED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758644397 ZXTXRMDVKMXMRD-DOMZBBRYSA-N 444.535 0.632 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 761036044 ASBLJQFZZKUTQI-AWEZNQCLSA-N 430.933 0.911 30 20 ICED N#Cc1cccc(S(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 766238107 PKLNESQDJLOQMN-UHFFFAOYSA-N 428.474 0.282 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)c1cc[nH]n1 770824031 NXKSLXHKSZGAJO-UHFFFAOYSA-N 439.450 0.712 30 20 ICED C#CCN1CCC(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 772134647 VZWRMYWHPUOIHF-MSOLQXFVSA-N 426.535 0.070 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(C)cc3)c2=O)cn1 772278724 UGSMRJHXSXNTGG-UHFFFAOYSA-N 447.520 0.866 30 20 ICED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)[C@H](C#N)C(=O)N2CCCC2)c1 782578656 BOBPZZUIQUZGNA-KRWDZBQOSA-N 434.518 0.778 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)[C@H]1CCS(=O)(=O)C1 783479389 JUNKMBCCDWFQCG-INIZCTEOSA-N 428.470 0.239 30 20 ICED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 786416264 ULCOCHZLLQLNSK-YPMHNXCESA-N 434.453 0.411 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(I)c2)c1=O 790111736 JOORZFAIAFXCAN-UHFFFAOYSA-N 449.273 0.397 30 20 ICED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 799284796 OFAXENVAKRGZPN-INIZCTEOSA-N 434.468 0.316 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@@H]1CCCO1 809313015 RCWXJMRJWILPNJ-FPOVZHCZSA-N 438.528 0.407 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCCN(c2ccnc(N)n2)C1 810769990 FVEBKPDOUNXWRJ-HIFRSBDPSA-N 430.490 0.809 30 20 ICED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(S(=O)(=O)CCO)cc3)NC[C@H]2C1 849092863 JWPLLTCYTOFVBY-INIZCTEOSA-N 438.550 0.833 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 916440741 QFZGLWFJIHXDTB-NXSRCCIVSA-N 428.536 0.862 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCO3)c1=O 917769065 ROISXZGKEMKQPV-UHFFFAOYSA-N 429.498 0.560 30 20 ICED N#CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1116185686 RUSGSAFBSZHQAF-UHFFFAOYSA-N 428.518 0.890 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 1157760377 KPUYZFYTMPNKNI-ZBFHGGJFSA-N 439.465 0.255 30 20 ICED CC(=O)N1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1286854942 WHTCZTBQSQZVCQ-KRWDZBQOSA-N 438.492 0.913 30 20 ICED CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314633024 AXQDIAJPHUAEQL-MRXNPFEDSA-N 437.508 0.580 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1454881752 ZAOFKTXNNZFDEU-NVXWUHKLSA-N 434.493 0.382 30 20 ICED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccc(C#N)cc1=O 1473061063 XBTIGBDRXTYNFW-UHFFFAOYSA-N 432.458 0.388 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1505140507 WWRIPQAJLWPNFG-HZPDHXFCSA-N 435.554 0.641 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1510153758 DVGMNVWLSXAUAJ-KUHUBIRLSA-N 434.522 0.548 30 20 ICED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 1613594476 KDZIGBWZYUWVJQ-KRWDZBQOSA-N 430.513 0.816 30 20 ICED Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(C)(=O)=O 1711267343 MUOKLHLDOAHPDT-UHFFFAOYSA-N 440.533 0.921 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)[C@H](C)C1 1741046162 YCGPADYMMLZLLS-MRXNPFEDSA-N 437.504 0.733 30 20 ICED CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1745791991 LDEFCJUNRCJTFV-HNNXBMFYSA-N 432.506 0.604 30 20 ICED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)[C@@H](C)C1 1749851044 LTOBOSHNHUTWGN-AWEZNQCLSA-N 431.522 0.423 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CC(=O)NCC(F)F)c1 1750381928 KWCVZRZIKYJSPK-CQSZACIVSA-N 431.403 0.839 30 20 ICED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1771081915 XNGFFSNPGYGTRF-IBGZPJMESA-N 438.536 0.951 30 20 ICED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1771537480 OWUGWLIBHYAREH-HNNXBMFYSA-N 440.489 0.442 30 20 ICED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779015075 PPRWMKZBSLPQJN-KIDIVGBHSA-N 434.537 0.877 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779232176 CUBQVJIANMUANC-HTAPYJJXSA-N 430.505 0.155 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779252275 BQMQFSWQYNHDON-FGWOULHUSA-N 438.525 0.650 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2cncn2)C1 1779499588 DTRHHZJQTMGPMV-JBYIUTFZSA-N 447.536 0.938 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057576 AATYWWCFIFXXND-QVKFZJNVSA-N 427.461 0.124 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1780105174 RLPUVKKTSZOBPB-HSZRJFAPSA-N 446.467 0.891 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180591 GETQUSZWCLAMAD-SOIKWTOOSA-N 430.509 0.721 30 20 ICED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780697048 VJZPXODALKRRSY-HSZRJFAPSA-N 439.516 0.166 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)nc(O)n5)CCO4)C3)c2c1 1782195809 KEOZGUYIRIUVEX-OAQYLSRUSA-N 449.427 0.393 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cccn2)C1 1782552899 AVTLVBDMHXJEAL-XDLFWYTKSA-N 429.521 0.816 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782955227 YSHCAMWCIWQQGV-WIYYLYMNSA-N 431.514 0.508 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1783767412 VSBPDRSLYGOKRS-VFNWGFHPSA-N 448.524 0.728 30 20 ICED C[C@H]1[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCN1C(=O)OC(C)(C)C 1785741004 PQYVOSDIRWMBQS-PONJGIIJSA-N 449.504 0.550 30 20 ICED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21)C(=O)O 1786897704 PJJRASZICNCYTE-WNHJNPCNSA-N 428.489 0.523 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(=O)(=O)N4CCCC4)[C@H]3C2)CCC1 1787506958 BDWVASRMKXKLFF-ULQDDVLXSA-N 438.550 0.086 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600993 QWYGEBAWTZBKGN-JUOPUIBFSA-N 436.557 0.145 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1788652857 OOVHLIGHQBLUCG-SWSLYFDISA-N 431.493 0.528 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653144 VZNQFONCHZTHKM-VNWNMTOCSA-N 425.526 0.902 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1792489402 UTNUBPFSUUAQIX-IBRLJDPESA-N 441.484 0.519 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1792489930 DCJSCRPDLRPJOG-MZNTUGIBSA-N 429.517 0.133 30 20 ICED CC(C)(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 1793013615 CKWCNSCMRFDVRN-ZSBFGKGUSA-N 437.493 0.357 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(-c2cccnc2)n1 1796485525 XISOPYHSPBTIAS-ZSBFGKGUSA-N 426.454 0.496 30 20 ICED CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)nn1 1797815253 MVADAAISGMUGPH-OZHCATNZSA-N 447.492 0.608 30 20 ICED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798573853 UVRCWTXZWMIEGC-HGKCTWBKSA-N 435.502 0.205 30 20 ICED CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798577553 VJBUGKGQUFCUKE-MOCMYQBTSA-N 433.530 0.929 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(-n3cncn3)c2)c1 1799775238 OQJYRYUJSGAONK-XEMDLRDOSA-N 431.456 0.984 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2)n1cncn1 1801360082 QUAZKQHUUDAOCH-PJKMLTEKSA-N 426.452 0.682 30 20 ICED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802619532 XBHDSOKBYGCUBZ-XGUBFFRZSA-N 433.461 0.639 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802681589 RXGIYQLLERDKBX-XLIONFOSSA-N 445.520 0.868 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807148793 ZVHOGJKSVXABDF-HBFSDRIKSA-N 440.548 0.990 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1808846276 UKJJFPWTWMCLGO-SUMDDJOVSA-N 429.525 0.728 30 20 ICED O=C(C#CC1(O)CCCCC1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810333404 KTHFWDXLCKDPIW-FCIYXJNOSA-N 440.544 0.509 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)NC(=O)C=C)[nH]n1 1814437805 KADLHQYGIAGBMI-NRXPATIISA-N 428.493 0.951 30 20 ICED COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819907215 MZBPGAWTKAACNH-GVXSCDGVSA-N 439.494 0.940 30 20 ICED CS(=O)(=O)c1cncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)c1 1822199281 IAWYWQAYPQJKGV-HNNXBMFYSA-N 445.457 0.602 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636419 ZQFFHDIATFMQQW-QFIPXVFZSA-N 428.489 0.083 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)c1 1830456320 JJFGKNRNVQWYET-PGRDOPGGSA-N 442.472 0.056 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1830611715 RHCBQCLGGIURQN-WMZHIEFXSA-N 443.475 0.520 30 20 ICED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831043835 SXFGZVJBZHTWCR-OAQYLSRUSA-N 433.461 0.012 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1831397299 WRPLQFSMZTWNCY-VGSWGCGISA-N 426.473 0.443 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1831401969 KVALLOHIDALUBN-KKLQWCBXSA-N 430.501 0.085 30 20 ICED Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1C 1831978122 OOASMZHYBDZHPM-XZEIMLRBSA-N 433.509 0.833 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncc(C)c3)CCO2)C1 1832952520 GGNRFRDRMIIZOU-AUSIDOKSSA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1833465407 DIEYRCFNUFYZJP-UZLBHIALSA-N 447.605 0.623 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c(O)n1 1833700102 MXGDFHMICGONAW-NRFANRHFSA-N 443.460 0.673 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835359929 QBEIRLJFFHGZLO-NRFANRHFSA-N 431.493 0.047 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C)CCO3)C2)c(C#N)c1 1835388604 YGIZFQOTZCBYBD-HSZRJFAPSA-N 444.532 0.517 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Nc3cccnc3)CCO2)C1 1835685584 PAAGCKNTSFULIH-NJNPRVFISA-N 432.521 0.930 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1837394653 GOHXDUZLDBBJMG-CVDCTZTESA-N 446.548 0.791 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837402321 ALZCHAOLJAAIFU-JPYJTQIMSA-N 445.516 0.429 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1837402986 NBOBBLPVKOYORD-NRJQMVOHSA-N 434.537 0.782 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1837403301 QUGNZDXHSJYQIR-SPEDKVCISA-N 434.537 0.549 30 20 ICED O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837559672 ATHXGMCDAIRRSX-XZEIMLRBSA-N 429.477 0.511 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)c1 1838904671 SRSZZQBUAZDMCM-AVRDEDQJSA-N 426.473 0.154 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cc1O 1838950089 AVVSVAZYQBNODF-OAQYLSRUSA-N 425.445 0.381 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951312 KDGCKTUCPJTVMA-VGOFRKELSA-N 438.488 0.556 30 20 ICED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1 1839226261 JWBWKQUEGRULKL-KKSFZXQISA-N 449.508 0.746 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1839681283 JZDIXRZQLCDABC-UWJYYQICSA-N 442.509 0.987 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)C1 1839806663 VKSLMHJEUZJSNI-JKSBSHDWSA-N 435.521 0.769 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cncn1 1840420190 DDFGVCYSRMYROP-VGSWGCGISA-N 438.488 0.675 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1840714973 NMZYZPMOACIPDU-NYHFZMIOSA-N 439.472 0.260 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840844069 BSZMZSPIOBDYNY-HSZRJFAPSA-N 426.517 0.253 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841599270 SCVGYOWCLRYGIC-QGZVFWFLSA-N 439.516 0.263 30 20 ICED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](COC)NC(C)=O)C3)c(O)n1 1842297395 FKZLNKPSJOEXST-GOSISDBHSA-N 430.505 0.874 30 20 ICED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc(F)c(C#N)c3)C2)CC1 1845203068 TTZHJDUKIMGKAX-UHFFFAOYSA-N 441.507 0.607 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccncc1=O 1847941931 HFGBUQHARBDOFU-ULQDDVLXSA-N 445.520 0.915 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCO1 409528114 JCTLBAYQZCGZLO-CYBMUJFWSA-N 434.927 0.115 30 20 ICED Cc1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1S(=O)(=O)NCC#N 434676853 TXRLLPMHWQIOCU-HNNXBMFYSA-N 428.536 0.339 30 20 ICED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1C#N 438261701 YJUOEZZXIOFONP-UHFFFAOYSA-N 445.505 0.352 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(COC)c2)c1=O 440385911 YIPGEMGGCKDBDO-UHFFFAOYSA-N 427.526 0.828 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@H]32)CC1 468143245 ADZYAEZUVSHBSG-ZWKOTPCHSA-N 445.545 0.134 30 20 ICED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1C#N 472148819 BDOYXOWOMCZILC-KRWDZBQOSA-N 439.520 0.688 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)c1C#N 472890532 WLTHCNKWICFWRF-UHFFFAOYSA-N 444.517 0.432 30 20 ICED CN(C)S(=O)(=O)C[C@@H](NC(=O)N(CCC#N)CCN1CCOCC1)C(F)(F)F 486950705 VXKNFBQVTAHBAU-CYBMUJFWSA-N 429.465 0.066 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)s1 488140234 DSWATKSKELYOAW-UHFFFAOYSA-N 449.579 0.375 30 20 ICED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 495300828 WWWNCRRZUGVPMV-HNNXBMFYSA-N 438.440 0.946 30 20 ICED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 508232379 WRLRGTOCQPZPBY-MRXNPFEDSA-N 445.505 0.067 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)nn(-c2ccccc2)c1N 511462724 MJVWYVPVAHHDBC-OAHLLOKOSA-N 432.506 0.372 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 515700447 VRONSWIZWRQNOY-IBGZPJMESA-N 432.484 0.914 30 20 ICED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F 520714647 SGLQHSURJXYHCB-UHFFFAOYSA-N 427.479 0.789 30 20 ICED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 537289787 JFHQJTQPMLWMSJ-RBUKOAKNSA-N 437.541 0.548 30 20 ICED C[C@@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 542876639 FYCOGZSKHTVRNF-NSHDSACASA-N 441.897 0.846 30 20 ICED C=C(C)CN(Cc1ccc(CO)o1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553331350 FPMDXRIGWLKTHN-WVSUBDOOSA-N 431.449 0.106 30 20 ICED CCC(CC)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 555900232 DNMLDYMBMFMDFN-FQEVSTJZSA-N 442.564 0.855 30 20 ICED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)CN1CCN(C)CC1 556353752 CMOPARLAZQUWDB-TZIWHRDSSA-N 426.565 0.223 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 560024271 JGICXVCSQJRZLP-PKOBYXMFSA-N 447.499 0.745 30 20 ICED Cc1nc(Cn2nnc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2C)no1 560793073 ZUXLCORXJUXUOV-JTQLQIEISA-N 430.450 0.503 30 20 ICED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 562145992 ZYDPTHXGEPZCBG-QGZVFWFLSA-N 425.420 0.355 30 20 ICED CCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 577233893 GOJUDDSPXSEOEK-OAHLLOKOSA-N 430.530 0.661 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 577664128 DQVMZJFCKGFAOU-SOUVJXGZSA-N 428.559 0.442 30 20 ICED CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 578095014 WRMBNEUZCGDKNC-LJQANCHMSA-N 439.516 0.887 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CC2)nc1 587654923 VCKJQPOLLZJKIP-QGZVFWFLSA-N 425.493 0.101 30 20 ICED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669809312 FSCONNDNRTUXSD-CQSZACIVSA-N 443.533 0.896 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC3CCOCC3)CC2)cc1 728088351 GNBUUSLJGJMVTP-UHFFFAOYSA-N 435.502 0.797 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 728535704 CXMRMVMBDILPDP-UHFFFAOYSA-N 443.489 0.382 30 20 ICED NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732234159 VVFUCNDQNLESBR-IGGDJGDASA-N 426.477 0.784 30 20 ICED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 732484005 NCXHYUBOMHIGSJ-IHLBYEDJSA-N 449.533 0.423 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CC1 733149490 HTEIIRMJLMFYHU-UHFFFAOYSA-N 446.451 0.845 30 20 ICED COC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 737240861 XISQWYUFMNRHSM-CJLVFECKSA-N 438.506 0.897 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)c2cccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742549365 YMQRHGZJMNCGEA-OAHLLOKOSA-N 443.529 0.827 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NS(=O)(=O)c1cccc(C#N)c1 750314160 RSLIZPNLLKNRRT-UHFFFAOYSA-N 437.445 0.241 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)[C@H](C#N)C1 755539115 ZVLVODOZIMXGPB-CZUORRHYSA-N 427.461 0.786 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758049338 AJGHSLVJQRPVFE-CYBMUJFWSA-N 430.917 0.554 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 758051935 PGPUKNVMRZIOGZ-UHFFFAOYSA-N 435.505 0.876 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2Br)c(=O)n1CCOC 761283569 VHKJNQVYZXKPBZ-UHFFFAOYSA-N 440.294 0.707 30 20 ICED Cn1cc(S(=O)(=O)NN=C2CCCc3ccc(Br)cc32)c(=O)n(C)c1=O 769584917 KLSIOMHZIOEILG-UHFFFAOYSA-N 441.307 0.865 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN(C)S(=O)(=O)c2cccs2)c1 772143895 STNOHZRODGQQPM-UHFFFAOYSA-N 441.556 0.710 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(C)cc3)c2=O)cn1 772281397 XNNJWRKTBKWVHY-UHFFFAOYSA-N 435.509 0.770 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)cc1 774449827 YDYZPXLQASFBIN-TYIKUYDASA-N 438.506 0.706 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCCO1 775789359 CXUYRMWHEPRMKD-VQTJNVASSA-N 433.530 0.493 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 782134305 GODHXWCYRFSIAR-UHFFFAOYSA-N 431.424 0.650 30 20 ICED Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785884448 SPIATCGELVCULB-UHFFFAOYSA-N 428.470 0.952 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)CO)c1 797377808 QWKXSSAMFDWDKN-OSEFQUDUSA-N 440.522 0.078 30 20 ICED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804010023 GDXPQHTZOJOHIH-WBVHZDCISA-N 427.461 0.517 30 20 ICED C#Cc1cncc(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c1 807189767 YDPIJTZNQXNQIK-UHFFFAOYSA-N 437.499 0.597 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)[C@@H]1CCCO1 809308856 KNMHUNDRTLRLJV-RTWAWAEBSA-N 441.528 0.986 30 20 ICED Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnn1CCOc1ccc(F)cc1 815490951 FAGNAWUOWRZKLK-QGZVFWFLSA-N 441.467 0.942 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 815859806 NKHZBMIRKMKXTM-HXUWFJFHSA-N 427.549 0.863 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 914635277 OAVTYQIKHZAMNP-ZSEKCTLFSA-N 428.445 0.929 30 20 ICED C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918271676 ZXUCHKUBHWVUHS-WYOZQYPVSA-N 432.506 0.839 30 20 ICED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 919098021 LMXFKJJNNQBCTP-KRWDZBQOSA-N 426.477 0.821 30 20 ICED CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1288001985 LTLWTTMCJQJJFI-OAQYLSRUSA-N 444.561 0.897 30 20 ICED CO[C@H](Cc1ccccc1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1315176831 JOJVMVFSPQQPNA-CGTJXYLNSA-N 448.549 0.875 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1521062764 IZJMOYNVCWZHGE-HNAYVOBHSA-N 432.481 0.769 30 20 ICED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539799149 NAYHWUSUQFABCX-AWEZNQCLSA-N 430.900 0.802 30 20 ICED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589395364 UYAFSLBDXDRJRF-CYBMUJFWSA-N 440.346 0.348 30 20 ICED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1617393984 WPFWOUIFGZOOIQ-INIZCTEOSA-N 431.522 0.677 30 20 ICED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1729221674 LJTZHEVCBZFMBR-AWEZNQCLSA-N 431.522 0.423 30 20 ICED Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751811839 YGAQKQIDFCWKTM-QGZVFWFLSA-N 448.553 0.556 30 20 ICED CNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1767642078 JBZVUMYELIUTKH-IAGOWNOFSA-N 444.517 0.317 30 20 ICED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1769542710 JCBYHHWXIIVTPO-QGTPRVQTSA-N 428.559 0.806 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779358967 MZKGTDTUAVRYGN-IWGJDDPLSA-N 445.520 0.685 30 20 ICED O=C(Cc1cc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1781566864 GCMSLPSDSNYOGB-YCOPDDRQSA-N 433.509 0.995 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCc3c(C(=O)OCC)ncn3C2)C1 1781593233 FMRXFSMPQOPXQI-PRCFCKQXSA-N 442.516 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1783533350 XCMORFUTYPOKTD-LZPLBESISA-N 428.489 0.046 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783912769 GETASYXEDHDROK-TTYHFUOFSA-N 426.517 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349249 BIMHNCIGPPYGNV-QMHHEMSOSA-N 428.537 0.816 30 20 ICED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784523301 DFBXQCWQAOETJR-UFYCRDLUSA-N 426.517 0.995 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)o1 1788658663 UJABBBVGYWWLNT-JLSFHGIFSA-N 435.481 0.429 30 20 ICED COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cc1 1792712645 FORRNMCLBQCRMK-PIKOESSRSA-N 444.532 0.600 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@@H]1SC(=N)NC1=O 1796423810 WKZAVXCELQWYAB-DRACIFKTSA-N 440.525 0.430 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797639860 IMJCQOHEFHAJFV-ZEENSLDLSA-N 427.457 0.349 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797780713 IEYPAOQRKHYFTH-BBIADKPPSA-N 445.560 0.677 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)(C)C)n[nH]1 1798132606 SEESYBQTEORTLS-BBVDOIIUSA-N 429.521 0.769 30 20 ICED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)c1 1798859419 RKHLXGPLSIVSKY-NBMJBFSESA-N 425.514 0.788 30 20 ICED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1 1799421272 WIQAYMMRXBNJBF-REPLKXPHSA-N 448.520 0.834 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccc(F)cn12 1800058933 SWEYCWRSBUTYHJ-CCWDJLKJSA-N 442.495 0.958 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)c(O)n1 1800520546 GIUXZKCORJTZCC-BKEDOTJMSA-N 428.489 0.245 30 20 ICED C#CC(=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 1800723338 OKQDIWBWTPNNNM-PDDMAZILSA-N 433.505 0.091 30 20 ICED CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C1CC1 1800775022 VDBCIJJSYXMSIT-HBCWATKFSA-N 435.477 0.064 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1801164392 LAECCDXYNKGCAG-IHSNIMORSA-N 442.516 0.776 30 20 ICED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)OC)c(O)n1 1801202801 VHGWTZVSJAQTGB-ZSBFGKGUSA-N 432.477 0.465 30 20 ICED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1802021036 RNXBJNNESSECAE-KGSLCBSSSA-N 425.529 0.890 30 20 ICED 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)C1=NNC(=O)C1)C2 1804407801 NLAAMAINRMUUNM-DTYFTJOMSA-N 445.520 0.970 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806020417 UTQDDXWYAPMJCK-SFHVURJKSA-N 441.594 0.539 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807615008 ZIKXGJDVSBQPTH-LPHOPBHVSA-N 427.465 0.284 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807681950 NOEMCNSFUUNQCV-XLIONFOSSA-N 426.477 0.889 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807693311 VEBLIKZMMZMQDH-CADBVGFASA-N 428.537 0.092 30 20 ICED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807741904 GRCNNLSOFBHXEQ-XTQGRXLLSA-N 449.558 0.871 30 20 ICED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284371 NKLRXGHZDASFDI-HYTHXXMKSA-N 440.552 0.399 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819900222 HQYJFSSGXASEAO-CLJPSMFFSA-N 437.478 0.693 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829794258 OPQGFGJEBNZBIT-OAQYLSRUSA-N 447.561 0.722 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831408859 FIJCZZJQMMLIQE-NRFANRHFSA-N 439.509 0.268 30 20 ICED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831610607 UAJJDFIILXCQAJ-OPAMFIHVSA-N 428.489 0.334 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1832453083 PCRMTIMJBRJSEI-FQEVSTJZSA-N 431.518 0.947 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)[C@H]4CCC(=O)NC4)CC3)CC2)c1 1833121480 BXMLYJCJBJGLPE-INIZCTEOSA-N 426.521 0.598 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1833443618 VYDUZVYVNIRVCR-IQTGRTGDSA-N 445.476 0.211 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712190 NYLRTBRZAKPJAK-IBGZPJMESA-N 445.564 0.878 30 20 ICED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1833864188 BMNAQXMPQDLPBE-LWOHLBADSA-N 445.476 0.211 30 20 ICED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1)C(=O)O 1834740400 KAXYBSDPXCECDE-SJLPKXTDSA-N 428.599 0.575 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1835102270 KCWHVSZUBKCUAD-XMMPIXPASA-N 434.496 0.951 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835480109 ZBJGGNIGTOOXQG-LJQANCHMSA-N 435.613 0.397 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657507 AESCZCMQNBFLSM-JTGQJZMRSA-N 432.565 0.984 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1835674334 IUEXTHJVCLGTEC-JOCHJYFZSA-N 447.511 0.501 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835841696 HQWFBWLXUNZUGE-LJQANCHMSA-N 436.538 0.077 30 20 ICED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccccc3C(=O)OCCO)CC2)CC1 1836119229 KYWVBCBXXSRXOY-UHFFFAOYSA-N 427.501 0.654 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836346122 XOVZXRXYXODDRF-HXUWFJFHSA-N 429.864 0.580 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1836859157 RQRVLVQBKUTHGX-YJBOKZPZSA-N 439.509 0.088 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837319817 IGLHPVYKJMVGRN-SFHVURJKSA-N 434.411 0.742 30 20 ICED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486652 LOKSMSPSGCAAPY-WMZHIEFXSA-N 433.549 0.236 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cncn1 1837567248 AAMXDNLMXKSUGX-ZXEFNUMUSA-N 430.465 0.008 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838062883 NTUJOKXNIIMDGG-QFIPXVFZSA-N 439.472 0.690 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)on1)CCO2 1838128978 XUNLUDIIHWCPQM-NRFANRHFSA-N 435.477 0.816 30 20 ICED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838533070 IKMWRGBVPCBIAZ-HPARJBSBSA-N 442.472 0.167 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649968 UQILIYMRNGLMHV-YIPJSWNASA-N 448.476 0.386 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037820 ZCMNGPOEYCDLSS-OPAMFIHVSA-N 433.480 0.977 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CC[C@H]4CCC(=O)N4C2)CCO3)C1 1839080755 IOJMYIWZHSRYMX-FHJLPGHOSA-N 431.533 0.810 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361713 ZUKRSIGFBYNBDR-HXOBKFHXSA-N 442.516 0.737 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388323 NOBNTZLSSYMXJO-UWJYYQICSA-N 439.509 0.089 30 20 ICED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)ccc2F)CCO3)cc1O 1839420253 XXUVPALOTODUES-NRFANRHFSA-N 443.435 0.520 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1839421723 HONDYKKJKZRJQR-NRFANRHFSA-N 427.436 0.733 30 20 ICED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451832 PPWAVQRQMFCEPX-QFIPXVFZSA-N 429.473 0.890 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839645587 ONTFPEGJARRFSH-HZUJZGFBSA-N 440.500 0.597 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669437 BAIKEKBLBZGTJE-VGOFRKELSA-N 446.504 0.786 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839779516 AZXJHALMDPAXMP-WIYYLYMNSA-N 440.562 0.788 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)C2)C1 1839806133 BDFJCJBUSYHLEH-LDBYXDLTSA-N 439.509 0.004 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1839889376 RNIJVBSVJHPTSQ-XLSPSMHOSA-N 427.492 0.994 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1839889815 RGGUVMDHMBFSCE-SFHVURJKSA-N 428.436 0.710 30 20 ICED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1840160286 DFDWDRQMTCKAAP-HTAPYJJXSA-N 449.573 0.912 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840161895 FCFIYBRNWCZFGS-XIKOKIGWSA-N 438.531 0.144 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840173329 QLSHSSMHMFJOHP-QFIPXVFZSA-N 426.473 0.812 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819049 MCOFNGVSVRUXMP-HSZRJFAPSA-N 444.532 0.782 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840819396 HZNMKZHFEINQEL-SVMVAKDDSA-N 429.473 0.164 30 20 ICED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1)C(=O)O 1840836104 YHWCRUQDWJVSRD-XHAORJAKSA-N 441.484 0.978 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 427527769 LWISCEPVWNRAPD-UHFFFAOYSA-N 443.548 0.860 30 20 ICED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 430398271 XOSQYFMESCNHTO-JZXOWHBKSA-N 435.525 0.909 30 20 ICED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CCC1 430974936 GMBUWYBFPNXOOR-UHFFFAOYSA-N 426.523 0.930 30 20 ICED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)c1 442470990 KFIVQAAWXVNQOD-UHFFFAOYSA-N 445.439 0.850 30 20 ICED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)ccc2OC)c1=O 461345182 ZOIXVUUGAWLJNV-ZDUSSCGKSA-N 431.489 0.898 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cn1 462084643 OUPWTJPPTDFHRK-UHFFFAOYSA-N 446.475 0.789 30 20 ICED COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 477137717 WANZIOFMJDINSQ-SFHVURJKSA-N 435.550 0.685 30 20 ICED CN(Cc1ncccn1)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 477896954 RDMBQEHWANEWCC-QGZVFWFLSA-N 428.518 0.702 30 20 ICED Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1S(=O)(=O)NCC#N 483929484 VSZGADPDCTUUIU-KRWDZBQOSA-N 433.534 0.176 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@@H]2CCOC2)cc1 485174427 QLCHZJKKOXOIAV-CABCVRRESA-N 425.507 0.193 30 20 ICED Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)n1 486512098 JUJVLJRJOIWSDN-QZTJIDSGSA-N 435.488 0.887 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490347427 IDJAUJQHRDQZLU-CQSZACIVSA-N 433.896 0.542 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)c3ccccc3F)n2)cc1 492699023 VLBPDQHFXKQUAZ-UHFFFAOYSA-N 435.419 0.822 30 20 ICED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508471753 HLJWZNLBHKDJQZ-UHFFFAOYSA-N 445.491 0.527 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 511119347 IIDGPLAEGICJBT-UHFFFAOYSA-N 437.499 0.843 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)CC2)cc1 521625622 JFGLGQHCLXDIKA-GOSISDBHSA-N 445.545 0.975 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1F 522626127 QSIVTKUFXVLNKY-UHFFFAOYSA-N 439.472 0.562 30 20 ICED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 543940945 CIMOEGNTYKBIJA-UHFFFAOYSA-N 430.852 0.653 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)nc1 556327167 ITDLQEUDZSUIIQ-FUHWJXTLSA-N 447.451 0.777 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CC1 557755713 KKEZKARTAKDOHN-UHFFFAOYSA-N 436.578 0.888 30 20 ICED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 558175443 NPFQNCDDVJIRMB-SFHVURJKSA-N 444.532 0.259 30 20 ICED N#Cc1c2c(cn(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c1=O)CCC2 567568557 TZKLWGUVWFXZGT-UHFFFAOYSA-N 442.497 0.868 30 20 ICED COc1cc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 568924443 PKGWGRUJQWHZJN-UHFFFAOYSA-N 446.485 0.951 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 574116638 OYVVKBCJTIHNQY-CYBMUJFWSA-N 425.424 0.838 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 574846266 GRKYLRHQKADSLU-UHFFFAOYSA-N 430.486 0.620 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 576428743 XGSBNNNXLYOKNN-JXFKEZNVSA-N 444.532 0.892 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(C)C)c1=O 579146791 KLNSEDWDSJNMLX-UHFFFAOYSA-N 443.573 0.924 30 20 ICED COC(=O)c1c(F)ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1F 581340996 XZPYVIVOTQGJSQ-UHFFFAOYSA-N 446.414 0.952 30 20 ICED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659185 JAUXRDXHKHTQOS-IBGZPJMESA-N 428.537 0.607 30 20 ICED N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 603661020 SOEYUFKBAXPFTF-UHFFFAOYSA-N 425.470 0.989 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 609522534 XDEDYADHGYYVET-MRXNPFEDSA-N 437.504 0.331 30 20 ICED C[C@H]1[C@@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 609888590 AAOQIEJUWFTUJP-CABCVRRESA-N 439.559 0.993 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCCS(N)(=O)=O)nnc12 741826209 OYOCTPNZLNWCFP-UHFFFAOYSA-N 437.503 0.544 30 20 ICED Cc1oc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)c(C#N)c1C 745150976 AZLOFNVXJGHCAD-UHFFFAOYSA-N 427.460 0.896 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745996320 VHLGCPFYEYMPSE-ZPHPHTNESA-N 434.474 0.433 30 20 ICED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(Cc2ccon2)C1=O 747454674 VSQNQODIACTRQT-LVHCJKAXSA-N 437.503 0.458 30 20 ICED C#CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)CC1 749877060 UOUIYCQADARWFU-UHFFFAOYSA-N 428.537 0.449 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 758093716 XDILMSAGZNXVOX-MRXNPFEDSA-N 429.546 0.488 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1cccc(C)c1 767880414 NHLFVFXMWHHBEJ-UHFFFAOYSA-N 426.523 0.930 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782792692 LZEOXUABGJSQLM-CQSZACIVSA-N 443.500 0.735 30 20 ICED C=CCS(=O)(=O)CCNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 783000437 VFGPVTCQFVQZLJ-UHFFFAOYSA-N 429.564 0.987 30 20 ICED COC(COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 789914203 IOENGRLYYDYXIZ-UHFFFAOYSA-N 425.507 0.711 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(=O)c1C#N 791172448 AGHMXOHELMLKBT-QGZVFWFLSA-N 436.266 0.890 30 20 ICED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 802303139 ZTIWWQAZNKPHMF-UHFFFAOYSA-N 447.435 0.852 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 807097795 RJFYDDKWRBXHAZ-MRXNPFEDSA-N 430.571 0.924 30 20 ICED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808236922 UFMZBACNZGOGRP-KRWDZBQOSA-N 434.518 0.057 30 20 ICED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)nc1 809301387 IWKLTTVTCBXUSH-UHFFFAOYSA-N 425.420 0.890 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccccc1 814250462 QKKIGCDTWPSHPE-UHFFFAOYSA-N 429.452 0.669 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 916417129 FEIUOJQPRUFPGA-UHFFFAOYSA-N 436.515 0.929 30 20 ICED CC(C)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 919315698 MRERMDBDJCYOBF-IEBWSBKVSA-N 449.529 0.765 30 20 ICED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1316349508 VDJFQZVXJLTYOY-UHFFFAOYSA-N 438.517 0.978 30 20 ICED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(=O)c1 1473061078 XQUYEVPMWVJPLK-UHFFFAOYSA-N 426.498 0.742 30 20 ICED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1637929521 YXMDDBYDFHDBIV-YOEHRIQHSA-N 430.486 0.906 30 20 ICED N#Cc1cn(CCC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c(=O)nc1O 1639516753 SEUMTCWDDUUHEG-CYBMUJFWSA-N 435.362 0.847 30 20 ICED N#CC[C@]1(O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659155983 UEMOLXZRJHABIH-FQEVSTJZSA-N 436.534 0.621 30 20 ICED CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1696981938 JXUSDWFHYVYHGY-UHFFFAOYSA-N 433.538 0.671 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1748289636 MXJGVTODDAHTJM-HNNXBMFYSA-N 440.489 0.420 30 20 ICED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)C2)C1 1778085257 IWXBUDSVUGQBHG-PMAPCBKXSA-N 449.548 0.848 30 20 ICED O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccc[nH]1 1779134854 NUUFKPIZWLDYPL-IGPUNGKJSA-N 441.488 0.677 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779335892 LTCTZZCLCLPQJQ-WJONJSRFSA-N 442.520 0.825 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779401357 MZYLQIQUKZOHHA-NNMXDRDESA-N 436.505 0.961 30 20 ICED N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779421119 GLYRKUPMTDSKED-HFCKPKDRSA-N 441.554 0.656 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc4c2NC(=O)C4=O)CCO3)c1 1780335503 WNHOALOTSFLORK-JOCHJYFZSA-N 433.424 0.778 30 20 ICED CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)cc2C1 1780335901 PJHOCMCGACLTDJ-JOCHJYFZSA-N 437.504 0.676 30 20 ICED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)N1CCN(C)CC1 1781094909 ZIVUVUXQPZHZGA-PYEQPNSUSA-N 431.537 0.164 30 20 ICED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1781166958 XOUSQLLYCMHPJF-HOIFWPIMSA-N 437.537 0.894 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1781264821 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N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3c(c2)CCNCC3)c1 1800243179 QDZFXUYZLAVVBW-RMFSNUHRSA-N 434.500 0.487 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2nc(C)no2)[C@H]1c1cccnc1 1802483932 XFZNTTQTPBLYOW-JZXMRFPWSA-N 438.488 0.880 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1803543401 BWXLYAJJCSPLEV-SYNHAJSKSA-N 440.460 0.931 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1803548333 JZOCRUGYVRRFIU-XZKMEQPCSA-N 432.477 0.190 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)c1 1813177771 TYPWWBDIVYGLIJ-KKSFZXQISA-N 432.440 0.526 30 20 ICED O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1 1815669806 UYXZZJWHPZELQK-KRWDZBQOSA-N 433.534 0.546 30 20 ICED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)cc1 1822162886 BCHVWKFJBOHJGB-CYBMUJFWSA-N 449.429 0.965 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826820801 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1840812937 TXVWOUBVWRLYEH-AUSIDOKSSA-N 426.517 0.879 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841745459 DIHQLIWNSUAAGV-UONOGXRCSA-N 449.508 0.257 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCN(C)C(C)=O)C1 1841838274 PPJXWQQRSQITLW-KRWDZBQOSA-N 434.537 0.975 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266995 PDVYRPOSQWWKLX-QVKFZJNVSA-N 430.509 0.951 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc3nnn(CC)c31)C2 1845958354 WNUWUDOBBYGEHK-OAHLLOKOSA-N 442.520 0.969 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 25165019 WTHOMGMEKXDXQH-QGZVFWFLSA-N 434.497 0.938 30 20 ICED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCO1 409504316 VCBWRPHLVGWVET-KGLIPLIRSA-N 432.424 0.865 30 20 ICED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)C1=O 410416502 CYYFBQDFXZNBOK-HNNXBMFYSA-N 425.507 0.776 30 20 ICED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 435312035 WMYWSSVIFBXDPH-OAHLLOKOSA-N 441.506 0.362 30 20 ICED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 438325565 SOLCAWQBMRKTES-UHFFFAOYSA-N 433.450 1.243 30 20 ICED Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 439024530 UCUHGTPWERXDEL-UHFFFAOYSA-N 432.484 0.770 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1=O 440275330 ZYNYENUVLCKXCX-GOSISDBHSA-N 427.505 0.258 30 20 ICED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 442313327 YXCUOQXLEMBJLY-UHFFFAOYSA-N 436.534 0.413 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 447216106 FNBOKWRNVDAOPI-LAQRGFTBSA-N 436.468 0.464 30 20 ICED COc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(N)(=O)=O 461651850 FVVWMJPEUQAZDD-CYBMUJFWSA-N 445.505 0.425 30 20 ICED CS(=O)(=O)CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 481549419 XMUQDAQRVBZJQQ-UHFFFAOYSA-N 440.547 0.399 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccc(C)s2)c1=O 488089669 QDSGVVWXSDRVAD-UHFFFAOYSA-N 437.568 0.060 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C 489201116 YEEUTNDNRBXNHW-UHFFFAOYSA-N 429.498 0.279 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC(=O)N2CCCCC2)CC1 501065564 ZZTZUKUICJEFAJ-UHFFFAOYSA-N 433.534 0.977 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2=O)cc1 505158300 IGDZBQMERKQNRD-GOSISDBHSA-N 430.428 0.784 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Br)cn2)c1=O 505678855 ATXCMQWLLBILJX-UHFFFAOYSA-N 449.330 0.449 30 20 ICED CN(C)C(=O)Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 507157526 NPRSCJPUJGHXAG-UHFFFAOYSA-N 444.517 0.882 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 508228315 ZMGBYZYJLPBDTH-HNNXBMFYSA-N 438.506 0.452 30 20 ICED CCCc1c(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cnn1-c1cccc(C#N)c1 525964164 QJLAWKGJOBCRAU-INIZCTEOSA-N 444.517 0.785 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(-n4cccn4)c3)c(=O)n2C)CC1 531598288 CRYOCKUIAAYGEF-UHFFFAOYSA-N 448.552 0.300 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1S(C)(=O)=O 538483333 IUMGXVGXJHLWAI-INIZCTEOSA-N 426.498 0.912 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 544211895 LBUTVBWFFCCTBD-UHFFFAOYSA-N 447.473 0.012 30 20 ICED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2CC(N)=O)cc1 545194660 FTDZSJMWTJZFSY-UHFFFAOYSA-N 448.460 0.998 30 20 ICED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)c1 552901135 JPWRCGMSQYAFJH-GOSISDBHSA-N 441.532 0.632 30 20 ICED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C#N 555848681 BRLRYLSQBSUFKI-UHFFFAOYSA-N 447.561 0.859 30 20 ICED N#CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 559309426 CDLVZAJPPNVZIB-UHFFFAOYSA-N 426.882 0.719 30 20 ICED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 561453874 WZDMVOXZDGULME-HNNXBMFYSA-N 442.476 0.292 30 20 ICED CN1C[C@H](NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1=O 562093827 WTYXGFMZMWHGIK-CYBMUJFWSA-N 426.433 0.192 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)cc1 572968051 ZDZUEEOWFMNUEL-AWEZNQCLSA-N 435.506 1.474 30 20 ICED CN(c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1)S(C)(=O)=O 589411460 XIGCHGINDMALRY-UHFFFAOYSA-N 436.515 0.549 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(=O)N(C)C 604269752 AHZHXKMRFNRNHT-UHFFFAOYSA-N 434.468 0.304 30 20 ICED Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(=O)N(C)C)c1=O 684535090 HGJPNWHIKOZQCK-CQSZACIVSA-N 445.566 0.867 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nnc([C@@H]3CCCO3)o2)c1 727509231 IOTXGAMIXWJWJH-AWEZNQCLSA-N 434.430 0.628 30 20 ICED CCOc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909570 CKOXPZAQVXXFAG-WMLDXEAASA-N 433.486 0.404 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 733891471 UOXNZBVKZXMUTL-CQSZACIVSA-N 428.474 0.182 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)cc1 734701275 IKBNQOQHNUJDAN-JLPGSUDCSA-N 449.533 0.600 30 20 ICED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC(=O)Nc1ccc2c(c1)OCCO2 741339769 IMBWIUSMNCNKRL-VHEBQXMUSA-N 444.400 0.566 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCOC1 749869886 ORHNBLQBLCTAIZ-HNNXBMFYSA-N 443.573 0.925 30 20 ICED N#CCn1cc(NC(=O)C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cn1 757206252 AQENRRBDIIXBPM-UHFFFAOYSA-N 448.480 0.844 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OCCOC)cc2)c1=O 758050742 SPKMKPLQUSIJNG-UHFFFAOYSA-N 439.537 0.843 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(C(N)=O)cc1 767884125 PEDDXRSAFMYMDI-UHFFFAOYSA-N 439.522 0.484 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc1ccccc1 769180115 KTTWIIDVYMQZQO-UHFFFAOYSA-N 430.442 0.406 30 20 ICED N#Cc1c(Cl)nsc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 770979082 BDGXKOOJTVFHAZ-UHFFFAOYSA-N 447.951 0.826 30 20 ICED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778116099 QMCDPABWUHTDET-GOEBONIOSA-N 434.474 0.083 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 779027591 BJTAYQCSVGTOLY-PKJRHQKLSA-N 434.478 0.267 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)N1CCOCC1 779349251 HRRUHXBNKZFFFK-ZBFHGGJFSA-N 437.518 0.930 30 20 ICED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 783013134 KXOZSMVJHNUFEW-UHFFFAOYSA-N 446.507 0.212 30 20 ICED C[C@@H](OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NC1(C#N)CCCCC1 786996127 JNKRVZSEVXFGIN-MSOLQXFVSA-N 434.537 0.974 30 20 ICED CCN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 787907562 DOHYATOFQBJURY-OQKWZONESA-N 449.533 0.519 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)[C@@H]1CCS(=O)(=O)C1 789753145 ZXWPGGAAVXOILF-CYBMUJFWSA-N 436.440 0.953 30 20 ICED Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cccc1N1C(=O)CNC1=O 794280332 OIRQYOPQXSJEFT-UHFFFAOYSA-N 427.442 0.728 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)c1=O 794661466 IGGZNBAHWKKCHS-CQSZACIVSA-N 447.517 0.890 30 20 ICED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(Br)c1 795194950 LZWIOQDJPZRUNZ-UHFFFAOYSA-N 447.314 0.796 30 20 ICED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)[C@H]1CCCO1 809307830 CXLIZBHOMMSTDK-NVXWUHKLSA-N 435.427 0.869 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 918289889 PICLZZVSQPXFBM-CJLVFECKSA-N 435.506 0.162 30 20 ICED Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(C)c1 1147234093 LCHUVIIVTAARFD-MRXNPFEDSA-N 439.472 0.576 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCC(N)=O)CC1 1318793912 SOTOBAWBWKHENF-MRXNPFEDSA-N 436.534 0.777 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(CC)CC 1322741574 YUCNOVHVOOGXKZ-AWEZNQCLSA-N 430.552 0.987 30 20 ICED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)sc2nc3n(c(=O)c12)CCC3 1356016772 ILPDJKRMBOYFOT-LLVKDONJSA-N 434.499 0.292 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1503828975 JZQNPWYWNPESSM-INIZCTEOSA-N 441.517 0.969 30 20 ICED NS(=O)(=O)c1cccc2c1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1558066104 LUYAAGFBDVRWPM-UHFFFAOYSA-N 448.526 0.348 30 20 ICED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1610029802 UAJDSPLZGKWGMO-UHFFFAOYSA-N 445.549 0.859 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC(=O)N(C)C 1612884935 IRNKCUDMYGYUGG-OAHLLOKOSA-N 432.492 0.805 30 20 ICED CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617602133 YPEBACVRXAZZEV-MRXNPFEDSA-N 437.508 0.301 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC(=O)N1C 1693830505 QJJIDOQOLMVVBP-VFNWGFHPSA-N 426.477 0.547 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1711274039 MQAYALIROVACCA-YLJYHZDGSA-N 430.534 0.507 30 20 ICED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1747467118 FXSUSRBJSVMPLO-MKTHODDLSA-N 443.533 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777832835 XFRXHTIPJRGRRV-KSEXMQBYSA-N 441.484 0.760 30 20 ICED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016013 JILKVBPVJOWGBK-GQBVICOWSA-N 429.521 0.934 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067180 QHSVGUMQIOKHHN-IRLDBZIGSA-N 436.505 0.131 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779105007 QBBBVFPDWUNYDF-SKPKZUESSA-N 431.493 0.768 30 20 ICED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780175567 PWNNAILFHYSJTR-NYHFZMIOSA-N 443.504 0.718 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)C2 1780739348 BTEUNIBIJVCMPE-WHSLLNHNSA-N 438.525 0.457 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804102 NXSWSMYYGAZAQK-LNNXQNCSSA-N 440.541 0.452 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CSCC(=O)O)CCO4)C3)c2c1 1782197600 APBLHFPCPIYOQM-FQEVSTJZSA-N 443.485 0.696 30 20 ICED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cnnn1 1784600672 LDBJIFGDOCYXNH-MGPUTAFESA-N 425.449 0.015 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1788471551 JHHRMYXJXZWQKI-CGBFIWBNSA-N 444.488 0.410 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788600930 LGXHNEFQPIUYKB-ZRRIGXHUSA-N 439.520 0.794 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)cccc1=O 1788657035 WZCYUOQSLMPCGD-RSGOWTOPSA-N 446.504 0.508 30 20 ICED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788771423 CAXHOEQYPGBFEC-OKYOBFRVSA-N 425.526 0.100 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791267623 NFVCMZBDBNOJSB-XSLAGTTESA-N 437.537 0.655 30 20 ICED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1793357174 IRSMBILNRCJOME-DCXXXQMHSA-N 444.532 0.713 30 20 ICED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)CCC1=O 1793782115 CCIUIIZUSXZGJM-OPMZPASUSA-N 437.500 0.689 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)c(O)n1 1794489137 GTMABQWABBQXHN-HBCWATKFSA-N 439.472 0.918 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796869089 VKOFWTIVYZQWGO-BCEDRHLLSA-N 426.473 0.297 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797137311 XLBOLIVDYWUJMO-ALXJQNPVSA-N 445.607 0.167 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccsc2n1 1797481843 ADEUERSXNFCPJG-MIFYACCESA-N 430.534 0.881 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797742187 IMQHVBVWNRIQSM-ZZMAYYTGSA-N 432.525 0.204 30 20 ICED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)c(=O)[nH]c1C 1797836393 WOZIFBYDMBOKMY-JEVJTMDRSA-N 427.461 0.302 30 20 ICED O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798492230 YWJMIHRWDDLYLT-YETHRVDNSA-N 434.453 0.959 30 20 ICED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1 1799150243 HMGCLFNJKYRMDD-GFAJBQDWSA-N 425.489 0.491 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802222329 WXUKMZDTDCNJDT-NXOAAHMSSA-N 435.521 0.672 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1802497399 GYUJRXDKKRTIIM-YCLSTDHLSA-N 429.477 0.302 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]3c3cccnc3)c2c1 1808268936 WTYVHTJUTUZDGE-OXFYSEKESA-N 432.488 0.435 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]2c2cccnc2)CCC1 1812720437 NMZWMHZOGZUZDX-UYAOXDASSA-N 429.521 0.068 30 20 ICED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#Cc1ccccc1)CC2 1815056771 QXASBTFHZFSARO-LSDHHAIUSA-N 425.514 0.700 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819875867 AUHLXSLFLUWJRU-WHCBVINPSA-N 428.580 0.660 30 20 ICED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)n[nH]1 1820758891 BIRCLQXCEHIGEY-OFQRWUPVSA-N 427.461 0.891 30 20 ICED CC(=O)Nc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825664372 UZIUIKRCTZGDBC-NSHDSACASA-N 427.442 0.810 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1828884340 YBALCUDHJUBVKA-IKGGRYGDSA-N 434.537 0.777 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831491035 TVXGUWISJHYZEU-QFBILLFUSA-N 429.539 0.240 30 20 ICED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1832285611 IHDFTAPCZAJMEK-HSZRJFAPSA-N 442.516 0.426 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)c3ccccn3)CC2)CC1 1833464660 LWLHWYCIRCOXHU-UTKZUKDTSA-N 427.549 0.691 30 20 ICED Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1834281740 QUDFXCIFBXXWNG-QFIPXVFZSA-N 429.521 0.742 30 20 ICED NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518873 URGMOKPEGRSAAX-NRFANRHFSA-N 439.560 0.203 30 20 ICED Cn1cncc1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714908 ZRWWBGSWTFEUSE-UHFFFAOYSA-N 429.569 0.887 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1)C(F)(F)F 1835404799 OBYOQTWYJFOZLQ-IBGZPJMESA-N 448.486 0.199 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124868 WGCFGZFFEZCEBB-IERDGZPVSA-N 435.477 0.057 30 20 ICED C=CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)c(O)n1 1836629998 NGNPVMMZSYXCNZ-UHFFFAOYSA-N 433.505 0.829 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1836637886 UJHPYXVEXRHLGC-IIBYNOLFSA-N 436.509 0.613 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1836680103 TVQLUUFOOREXRM-KRWDZBQOSA-N 438.525 0.784 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837431554 UHNLKIOHEBVHFG-OAQYLSRUSA-N 437.613 0.759 30 20 ICED COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837564498 SCXWJANNMXPRBA-HPARJBSBSA-N 442.472 0.872 30 20 ICED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567904 XVSWMXCRLXQSLH-UYTRCOCSSA-N 443.504 0.688 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccnn4)CCO3)C2)c1 1837878831 NOJIQDPUDYPQHM-NRFANRHFSA-N 425.420 0.871 30 20 ICED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741872 FSMNXSKWRRKBOQ-JOCHJYFZSA-N 440.504 0.942 30 20 ICED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1839227316 CIKXZYPPVQVBPE-JXFKEZNVSA-N 439.509 0.587 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364195 SICPDFPMVABPIA-DENIHFKCSA-N 447.557 0.937 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1)C(F)(F)F 1839651464 FPSLMXJUDZUBMG-GOSISDBHSA-N 444.410 0.690 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1ccnn1 1839710291 IYBIDYBRCNHOPU-JTSKRJEESA-N 438.488 0.675 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840160986 AQPDKJUCYQWWTC-ACJLOTCBSA-N 429.926 0.889 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840163245 QIAQIWDBTXRQIL-XIKOKIGWSA-N 425.463 0.689 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840163686 MEBVXNFJGDBTEC-RBZFPXEDSA-N 432.502 0.724 30 20 ICED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1)c1ccc(O)cc1 1840220041 UQJCMQPWJYUEMX-GBXCKJPGSA-N 443.544 0.907 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840428245 FTCWQQVVLSHONX-SIKLNZKXSA-N 434.537 0.958 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067748 RDPQRIQEPSAVJL-TWJGEFDFSA-N 434.537 0.382 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 16557526 RZDDYRHTSBLTRJ-UHFFFAOYSA-N 428.422 0.969 30 20 ICED Cc1cc(N2CC[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)ccc1Br 409499290 HFXCCYGZJMNRNJ-DZGCQCFKSA-N 443.323 0.922 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1cccs1 460570403 BODRRUCPWOUCCP-UHFFFAOYSA-N 437.485 1.384 30 20 ICED COc1ccc(C[C@](C)(O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 461238530 ZMEJLQQKTSJTEA-NRFANRHFSA-N 447.513 0.964 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 464853141 DNKMFQGDWDVFME-OAHLLOKOSA-N 443.533 0.748 30 20 ICED CC(C)C[C@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 467285426 FTRXCDKSLQHARM-PJIJBLCYSA-N 426.485 0.472 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ncccc2C#N)CC1 470456001 QWANOZIDZXXTGN-UHFFFAOYSA-N 430.490 0.370 30 20 ICED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480940913 WODUWFWTAKYEAJ-UHFFFAOYSA-N 439.522 0.420 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 481506044 BPFNYFPIFLZHMS-YJBOKZPZSA-N 434.518 0.465 30 20 ICED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 483457627 JNRMBNMMWBPPOZ-CYBMUJFWSA-N 446.576 0.872 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2ccccc2F)c1=O 488151804 YOIYTQBMTSQKAM-UHFFFAOYSA-N 449.529 0.219 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 491156240 MNONOWXRGQNPFU-UHFFFAOYSA-N 427.505 0.308 30 20 ICED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 505863876 HPNNZYWYTHRZMC-UHFFFAOYSA-N 427.512 0.089 30 20 ICED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508695877 FKGJLIDQDAGQCR-ULQDDVLXSA-N 440.570 0.792 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1=O 510220313 ATAKAXXVKPTKBA-UHFFFAOYSA-N 428.854 0.506 30 20 ICED N#C[C@@H]1CN(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@]12C(=O)Nc1ccccc12 514017848 MCGTWVRYUDZHNR-UEFGHGNGSA-N 445.479 0.849 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 518446297 HIEMWNCKDDANHA-INIZCTEOSA-N 445.563 0.369 30 20 ICED CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 525032471 QWWBAOHZPNGJDM-SJORKVTESA-N 427.548 0.993 30 20 ICED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 531842514 YEEGGNKWZZAKMP-UHFFFAOYSA-N 448.907 0.749 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 537068294 XQQKCJFEEORTND-CQSZACIVSA-N 425.507 0.719 30 20 ICED COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552939107 AAVNIYJPKWIBKT-OALUTQOASA-N 427.505 0.002 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 553038445 CWTQBCNSYFLMEE-ZBFHGGJFSA-N 442.563 0.355 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 562088458 BDOQBRICMVRNFE-UHFFFAOYSA-N 448.467 0.950 30 20 ICED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 569513406 NFKXYZBZADMBFO-QGZVFWFLSA-N 447.561 0.382 30 20 ICED CN(CC(=O)NCCn1cc(Br)cn1)S(=O)(=O)c1ccc(C#N)cc1 571546489 CALPJOWVXFEYMV-UHFFFAOYSA-N 426.296 0.954 30 20 ICED Cn1cc(CN2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)cn1 587665866 RHHAGKYDZOCMMS-UHFFFAOYSA-N 436.520 0.116 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 603592274 GKWIKSKBIBRWJS-UHFFFAOYSA-N 437.503 0.582 30 20 ICED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2O1 604148030 KVDUYBLZVLQFMS-OAQYLSRUSA-N 447.495 0.743 30 20 ICED COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 609007945 XHOYOKOHRPAFQL-CYBMUJFWSA-N 437.478 0.414 30 20 ICED Cn1cc(/C=C/C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c(=O)n(C)c1=O 726995460 VCLDMAONOLMSHO-CMDGGOBGSA-N 434.412 0.336 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2)c1=O 729675138 SVFBJQJZXXJQCQ-UHFFFAOYSA-N 431.539 0.080 30 20 ICED CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 732408848 QPOSHQVVQDUUAH-ARJAWSKDSA-N 438.444 0.515 30 20 ICED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(=O)(=O)NC1CC1 741095639 PLKJKZORYACQNO-UHFFFAOYSA-N 442.501 0.869 30 20 ICED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745483431 RNJBJJGNHFBSNS-OHDICMOHSA-N 449.423 0.388 30 20 ICED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755544871 GLSJDFJPSWGUKT-VXGBXAGGSA-N 433.469 0.365 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC(F)F)c2)c1=O 758077865 URJDMTGVOQVSLW-ZDUSSCGKSA-N 447.463 0.799 30 20 ICED CCOC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759951857 WGXFGTBMHAJXET-SFHVURJKSA-N 437.518 0.980 30 20 ICED N#CC1(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCOCC1 767406102 RNHIMSUHNIFJQT-GOSISDBHSA-N 443.456 0.361 30 20 ICED CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC1)C2 787757549 FJQXNMYKAXBADV-ROUUACIJSA-N 425.537 0.251 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787895722 YMJRTLMASBBJEW-UHFFFAOYSA-N 432.502 0.925 30 20 ICED C#C[C@@H](CCC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 791200344 SPYSFLXZVAINIP-SFHVURJKSA-N 437.500 0.973 30 20 ICED COC[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)C(N)=O 791792019 VWUOCYOFJJASOO-OAZPQLMHSA-N 425.511 0.901 30 20 ICED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCC3(C#N)CC3)C2)CC1 797583488 XJPAWVICUHFGEY-UHFFFAOYSA-N 427.527 0.566 30 20 ICED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803551579 VOSAXZHTQXRQCC-KRWDZBQOSA-N 446.265 0.496 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1=O 803747006 NVVFXHQTBRHQHC-FQEVSTJZSA-N 443.548 0.179 30 20 ICED CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCn1cnc(C#N)n1 804620990 CTHWTXRSDXSOKO-RCLKMUNOSA-N 434.547 0.978 30 20 ICED CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1C 805075786 GDSWQGUWKVTSTL-UHFFFAOYSA-N 448.505 0.195 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)C2=O)cc1 806685919 SYJUZQSCQJXTHI-MSOLQXFVSA-N 426.473 0.577 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnn(CCF)c2)CC1 808572323 ZTYVVYCLZPFTPX-UHFFFAOYSA-N 449.464 0.414 30 20 ICED N#CC1(OCCOC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 809081803 LYIVXFPARPEKMY-UHFFFAOYSA-N 427.435 0.896 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 810771355 JROFINCJRYXNHU-UHFFFAOYSA-N 428.532 0.955 30 20 ICED C#CCN(C)CCCNC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 815861662 SWRVLQHUOAVAQB-UHFFFAOYSA-N 426.473 0.915 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3c(=O)n(C)c4ccccc43)CC2)o1 915377933 LUUZYGPHCXHPBU-UHFFFAOYSA-N 438.444 0.400 30 20 ICED CN(CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccnc1 916965405 LVEQZYISOHBLFB-HNNXBMFYSA-N 430.442 0.821 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 917768778 MNFWEKRGKOJYFW-UHFFFAOYSA-N 436.515 0.801 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cccc(F)c1F 1253812741 YYIZEERKUQUFBH-UHFFFAOYSA-N 444.463 0.781 30 20 ICED COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1504754812 IOGIMBSZVKPGSL-UTKZUKDTSA-N 425.493 0.818 30 20 ICED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1509761966 QNPBRGPJWNFOBN-UHFFFAOYSA-N 425.493 0.636 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1541804381 VIZCTRPVHVZJHX-QLFBSQMISA-N 429.568 0.743 30 20 ICED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1554383310 RZTSKPXYIJVBCD-HNNXBMFYSA-N 447.565 0.963 30 20 ICED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1554528013 KXQKTEYDPUOEDN-JXFKEZNVSA-N 445.501 0.366 30 20 ICED N#Cc1ccc(OCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1Br 1584887620 RFHHCYPOPIIAMG-UHFFFAOYSA-N 434.254 0.057 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1586534491 JOBCFTUMYGCKJD-NJAFHUGGSA-N 435.594 0.890 30 20 ICED Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cnn1C 1611876217 NDSMQEAGHMOHEJ-DYVFJYSZSA-N 447.569 0.155 30 20 ICED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)cn1 1651414227 IMALMSCCJAMBFE-TZIWHRDSSA-N 437.475 0.945 30 20 ICED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCN1C 1685726590 UNELJLPRWHRURR-QFBILLFUSA-N 434.566 0.208 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(O)c1 1692792785 FEQONKQWAFDHCX-YOEHRIQHSA-N 445.549 0.819 30 20 ICED CC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1708326821 GEXQTIGYPMIRFO-VQIMIIECSA-N 440.570 0.902 30 20 ICED CC[S@@](=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1710912210 BBZXBNADTJOOPZ-AOYOOGHLSA-N 441.517 0.689 30 20 ICED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1711774878 ITEUGRRUJBGPNW-GOSISDBHSA-N 426.477 0.931 30 20 ICED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)(F)F)c1 1731181181 PGAMXIVDTMHFTM-UHFFFAOYSA-N 442.423 0.730 30 20 ICED COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767967927 KKYATYDLVVJBIP-UKRRQHHQSA-N 425.559 0.490 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778417228 WXAOYZZDRJTCPA-OAQYLSRUSA-N 427.461 0.911 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100418 VYKMEXZAXKRXEQ-YRMLPGOYSA-N 445.538 0.026 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207055 SMCLTVNHSBGHMT-UGJQDOKGSA-N 429.473 0.320 30 20 ICED CN(C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3ccc(C#N)cc23)C1 1781204681 KREHHGKNYVELQZ-VGOFRKELSA-N 438.488 0.650 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c(Cl)c1 1781967412 AYVHODCQBHHIIY-OXJNMPFZSA-N 433.896 0.248 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H]3CCNC(=O)C3)CCO4)c2c1 1782198330 OCLYHZZMBAJSQY-NYHFZMIOSA-N 436.472 0.404 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782635080 QOZGTFGXCDKUIR-IOFJYKPDSA-N 447.492 0.474 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051977 WYKKAVLRPVRDFN-NRFANRHFSA-N 444.492 0.106 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783123503 LLPSHCQCVLDWOO-RZQQEMMASA-N 425.551 0.875 30 20 ICED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(Br)nc1)CCO2 1783564899 CYSINXJAJRKWSC-GOSISDBHSA-N 436.262 0.305 30 20 ICED C=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](C)CN)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784090506 USSLZEMSXFSBID-HOIFWPIMSA-N 436.553 0.977 30 20 ICED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784364212 GMTVVYOWZHICHS-KNTRFNDTSA-N 426.517 0.995 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1785378701 LYGUJRCVQADFLU-JOCHJYFZSA-N 438.440 0.887 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1 1786362576 YLDDDNJSRAGBGE-CAMMJAKZSA-N 448.545 0.555 30 20 ICED O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)N1 1786674866 FNOMARXCMYHGIU-AIMMBMPESA-N 431.514 0.745 30 20 ICED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786885992 JNUDQZCHRFXWGA-KANFNMMFSA-N 446.935 0.264 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c(Cl)c1 1789764034 VONBIUOKBFTRAT-NCTLDZBQSA-N 432.908 0.528 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)n1ccnn1 1790640432 LCRJPWFCSPHKPQ-XWSJACJDSA-N 429.521 0.517 30 20 ICED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413420 CVHWQNRUWAVFOV-HNJRGHQBSA-N 442.491 0.766 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2)C(=O)O 1795644934 FESIWQNVHSWIRV-ZDFLXESQSA-N 434.880 0.478 30 20 ICED Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)nc2ccccc21 1796999399 XTVRFXASTFRTEU-JLVBRIDZSA-N 435.484 0.831 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1798395616 ZREDSFXYFWLIHQ-OQMKEHIESA-N 436.534 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c2n[nH]cc2c1 1799916548 NZTXCRAPANPNKO-PMBNNVTJSA-N 437.500 0.933 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC(F)(F)F)c1 1800427013 NUBJRYFDJSUCKL-HBCWATKFSA-N 440.374 0.805 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(F)(F)F 1800551279 RKKWKNUCWROVRT-JJLQDPRZSA-N 444.366 0.465 30 20 ICED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1801988932 UMCLFDXFWABTFH-YOWGUQMCSA-N 425.401 0.018 30 20 ICED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989624 RIPZJTYJFWSMBF-CWPLJXCYSA-N 439.472 0.583 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCNC(C)=O)[C@H]1c1cccnc1 1802489767 LZHMAJBZNMWBJZ-WVUNDPPESA-N 427.505 0.472 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806904404 AIPTXKXUZYGJNX-SVFBPWRDSA-N 430.549 0.993 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1807144118 WFPRFOAMRXWINH-IXDOHACOSA-N 428.493 0.478 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)c1 1814230779 RBBDFIODDOYDML-OXQOHEQNSA-N 436.472 0.950 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1 1820493256 DTWFKPMVNHJGCA-WDEREUQCSA-N 429.458 0.895 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)CC1 1828438170 SWXOPJFXNLNKSQ-NJRZHNRPSA-N 445.608 0.712 30 20 ICED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968707 XTYLFSXDMIMJIX-DMZUZXHHSA-N 446.548 0.969 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCN2C(=O)OCc1ccccc1 1829307811 GSTLYRUJZMMTLL-HXOBKFHXSA-N 440.500 0.596 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(F)cccc1Cl)CCO2 1830289826 MKUVLIUMISEUPB-FQEVSTJZSA-N 438.839 0.566 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1830341812 UECSXDBMMVATIA-SJORKVTESA-N 448.520 0.714 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1830642555 DGZUXBOWALPHJF-HYBUGGRVSA-N 448.608 0.847 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1831387347 PFHGGGJHXADELW-IERDGZPVSA-N 435.908 0.772 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831426989 NTWAMGNXFFIPJE-VGSWGCGISA-N 428.489 0.995 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832046023 GJFLCRTUKKOVIV-AOMKIAJQSA-N 448.520 0.756 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 1832303612 MGVKJCJMPWFXIV-QPPBQGQZSA-N 425.529 0.988 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3c(=O)oc4ccccc43)CCO2)C1 1832758860 FICDMCVPLHPREN-BTYIYWSLSA-N 449.529 0.759 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1833080959 WZCDBWIRNNCTJM-QHCPKHFHSA-N 437.500 0.762 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1833476588 GVYBICAZQUCQNC-APWZRJJASA-N 441.594 0.726 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1833476856 LULBEZXAVVEYLS-MRXNPFEDSA-N 447.536 0.724 30 20 ICED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833490458 NTZRWYDGSIUJTI-FUHWJXTLSA-N 427.615 0.105 30 20 ICED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cccc1=O 1833873098 PHCHKHXLDLWAKB-HSZRJFAPSA-N 436.468 0.641 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cocn5)CCO4)C3)c2c1 1834511166 ICPSRGFMLKWZGZ-OAQYLSRUSA-N 436.428 0.806 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756355 XNWAWHZYTFYPNP-QFIPXVFZSA-N 429.473 0.776 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834977639 RTRWDGFLXFHTFI-KKSFZXQISA-N 439.509 0.006 30 20 ICED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111159 AGJGDORHABXWCR-CZUORRHYSA-N 446.577 0.664 30 20 ICED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835115071 UHOHUWPVMAXIMF-HUBLWGQQSA-N 441.623 0.679 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C3)C2)CC1 1835345689 UJECMAVPWJWWTE-JLHGSKIFSA-N 430.505 0.148 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nc1 1835676798 ASWNTNZTRPHBBF-JOCHJYFZSA-N 445.520 0.442 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccc1 1835682238 CSDWJZSDGFTRGU-XMSQKQJNSA-N 431.537 0.787 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836093637 IUAYFCIIFMEKLY-YOXWTLATSA-N 433.530 0.605 30 20 ICED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169255 DCSUUSXXTMIHLI-UHFFFAOYSA-N 445.593 0.556 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836845317 WPAQQBQYNGLTSX-FQEVSTJZSA-N 431.518 0.719 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836927239 SQEBVUIAJPTCHT-KSFYIVLOSA-N 426.473 0.671 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837147541 PSJITKJHGFTFBJ-XMSQKQJNSA-N 447.557 0.954 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1837367756 UCEKKWKKGLBRCA-QRQCRPRQSA-N 439.472 0.260 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1837440449 JGAKXKSCGDCUEX-AOOMUMSASA-N 428.480 0.960 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1837489408 FZQLULZYDQJOSJ-QHCPKHFHSA-N 444.532 0.741 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)c1ccccc1 1837616026 SQIJXIZKNFMYSM-HYBUGGRVSA-N 441.528 0.906 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1Cl 1838598020 KLFAMXKFHQGJOM-FQEVSTJZSA-N 434.880 0.547 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1839072053 XRYUYXTXUNAQIE-JOCHJYFZSA-N 425.441 0.255 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CC[C@H]5CCC(=O)N5C4)CCO3)C2)CC1 1839082970 LHPPIAAWYZJMNP-HOIFWPIMSA-N 430.505 0.148 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1839173496 UNCXZRURIBPOQC-JOCHJYFZSA-N 447.488 0.670 30 20 ICED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839422786 NACBETFWWFITAY-FQEVSTJZSA-N 437.880 0.901 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839877850 KAQWLJKNBLINLC-PNSXKUJUSA-N 449.529 0.468 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)C1 1840039735 GHCKPSSTEOUQMN-CVDCTZTESA-N 442.468 0.235 30 20 ICED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C(F)(F)F)c1 1840042967 ZAHHVAWRTIRLPA-GOSISDBHSA-N 443.378 0.202 30 20 ICED COc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc(F)c1F 1840043681 OIZGMWVPXCMCSZ-HXUWFJFHSA-N 438.383 0.131 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1840160786 RYIOHKUOLNMLIN-BTYIYWSLSA-N 446.529 0.554 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)n1cccc1 1840351134 ZMMWBZZIUSUWRW-XMSQKQJNSA-N 431.537 0.787 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840434720 KXZGFGBPLHBXCB-AVRDEDQJSA-N 434.537 0.627 30 20 ICED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4Cl)C3)C2)C1 1840571348 OWCFGTFNVFMTML-NRFANRHFSA-N 432.908 0.843 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840854483 CMHBTFUDCNPDDW-LAUBAEHRSA-N 431.493 0.261 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1840909061 LXEIGDORUVJSLB-JLTOFOAXSA-N 445.463 0.625 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843890250 YSVIABXJNITQMJ-GJZGRUSLSA-N 437.468 0.873 30 20 ICED O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313604 NHVZFVFXPNGWDW-LOLZCCBGSA-N 439.472 0.908 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)n1 431015522 PPWSHOVVUSJYHL-UHFFFAOYSA-N 426.498 0.400 30 20 ICED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O)CC2 433660030 JOINNARDVYFTAO-GOSISDBHSA-N 433.468 0.166 30 20 ICED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 435660772 ZUINQIVTANKXBO-UHFFFAOYSA-N 425.424 0.281 30 20 ICED N#Cc1c(NC(=O)CCN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)sc2c1CCC2 436215493 DHEKMWOOQFHHII-UHFFFAOYSA-N 443.529 0.730 30 20 ICED C[C@H]1CCN(c2nc(N3CC[C@@H](C)S(=O)(=O)CC3)ccc2C#N)CCS1(=O)=O 436370308 MESHBYXXKRYPIC-CABCVRRESA-N 426.564 0.980 30 20 ICED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 437388944 CLYYZQKLRQWWTL-CQSZACIVSA-N 437.522 0.330 30 20 ICED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 439948716 YYFNJOBUNVGXEL-VQHPVUNQSA-N 449.485 0.444 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCSC)c2=O)n1 443546982 BYQGFYOKGWJDKE-UHFFFAOYSA-N 448.570 0.332 30 20 ICED CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446522933 ONIUBKOHHYYSNM-UHFFFAOYSA-N 440.497 0.632 30 20 ICED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CC)CCC#N 446854470 ZCBIQRRDHWAGLY-UHFFFAOYSA-N 438.506 0.807 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 460132041 RBKDCUXWDLNMDT-OAHLLOKOSA-N 431.536 0.506 30 20 ICED COCCCS(=O)(=O)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462014896 NCIILQXMYPPZKZ-UHFFFAOYSA-N 447.521 0.963 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(Cc2ccccc2)c1C 476825044 MDSXJFGMHFDMBW-UHFFFAOYSA-N 430.534 0.785 30 20 ICED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 482346669 BSKSRPBAPAYCDX-UHFFFAOYSA-N 446.533 0.783 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 489005230 CSRSJKWIAKASEX-ZBFHGGJFSA-N 428.514 0.414 30 20 ICED Cc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1S(=O)(=O)NCC#N 498738923 GBLSVIJEINSBOE-UHFFFAOYSA-N 435.550 0.327 30 20 ICED CCN1C[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1C 498914985 KLXWWDONQHPYSA-QZTJIDSGSA-N 433.578 0.806 30 20 ICED COc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)c1 502045254 PRAFGDNNWZSZIV-UHFFFAOYSA-N 435.509 0.767 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 506881710 QQBBIWDSNFDYDW-MRXNPFEDSA-N 434.474 0.609 30 20 ICED C[C@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 512483792 NCLILSJMHHEYPK-MRXNPFEDSA-N 436.534 0.772 30 20 ICED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCN(C)CC1 513151078 UEOMKSDPGQJLFR-HNNXBMFYSA-N 427.484 0.821 30 20 ICED Cc1c(NC(=O)CSCC(=O)N2CCO[C@H](C#N)C2)c(=O)n(-c2ccccc2)n1C 519272247 CMHXLEVOWCNUNG-MRXNPFEDSA-N 429.502 0.907 30 20 ICED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 522537250 AJBKAYQUWXNNJN-CYBMUJFWSA-N 435.509 0.850 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOCC 523088834 IWBMSRYPVSBZPD-UHFFFAOYSA-N 445.541 0.993 30 20 ICED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 523668755 KWNMLNCBDZDXBW-UHFFFAOYSA-N 449.330 0.671 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 537033567 QBJVWVVCJQHMGC-OALUTQOASA-N 435.569 0.412 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CC 542011310 TVNUPTXECGHILG-UHFFFAOYSA-N 429.498 0.511 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 547416357 MQCHDNCPUMIJFP-UHFFFAOYSA-N 447.473 0.643 30 20 ICED CNC(=O)COc1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 553825641 QXWINXOJPOHXDY-CQSZACIVSA-N 430.486 0.666 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCOCC 555377430 SFYFBOLTRZAGHE-UHFFFAOYSA-N 430.530 0.769 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 558019660 IYTHEXDIVDKYNB-UHFFFAOYSA-N 441.532 0.597 30 20 ICED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 558989923 DHKFAHNPPINDCT-OAHLLOKOSA-N 433.538 0.822 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)CC1 574724477 IGLPJARDFGXOMI-AWEZNQCLSA-N 435.444 0.783 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 575891951 ZHLLVUCBQIUYDN-UKRRQHHQSA-N 440.547 0.298 30 20 ICED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 576037602 NKSRAEWAJJHMFV-VIFPVBQESA-N 441.325 0.649 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)cc1 604119798 MCQFPLPHEACEMA-UHFFFAOYSA-N 443.550 0.774 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 610683937 ZOVJDKHIARNPNM-HZPDHXFCSA-N 434.504 0.946 30 20 ICED C[C@H](CC(=O)NCc1ccc(-n2cncn2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 742543647 JKNSSCRXPWFXDD-CYBMUJFWSA-N 425.474 0.796 30 20 ICED CNC(=O)COc1cccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742562347 FWDKACWEVLOULL-CQSZACIVSA-N 444.513 0.945 30 20 ICED COCCNC(=O)Cn1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742705532 VZFNFTVGSIKESX-ZDUSSCGKSA-N 448.505 0.102 30 20 ICED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 744727373 ZFINBYJJVJNMQF-STQMWFEESA-N 428.463 0.843 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 747993250 HCJJLKIUMCZAAN-IYBDPMFKSA-N 427.505 0.622 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)[C@H](C#N)C1 758596279 ZKVFYULDQJOUMY-UKRRQHHQSA-N 438.510 0.418 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 772858150 FGWVNDOYPLZDJK-UHFFFAOYSA-N 442.497 0.776 30 20 ICED COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 774475071 DXZZTADYSGZYGF-RCCKNPSSSA-N 437.478 0.005 30 20 ICED Cc1nnc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)s1 780283245 QNVPUAAQJGTMDK-HMAPJEAMSA-N 436.519 0.914 30 20 ICED Cc1cc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)nn1-c1cccc(C#N)c1 780362781 OXQHQHDWKXOGPA-UHFFFAOYSA-N 433.490 0.718 30 20 ICED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1=O 782990996 LZBVTULOEDZGRU-FQEVSTJZSA-N 438.375 0.956 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 783453944 XPDYEJJIZSHLJF-UHFFFAOYSA-N 428.470 0.612 30 20 ICED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 784964918 VDGMODWDDOGLSK-MOLDEKSUSA-N 435.506 0.127 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 787747878 SRMYMWLTQDBVMO-GFCCVEGCSA-N 446.441 0.589 30 20 ICED CN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2Br)CC1 787884743 YKLNZDNTJVKHTQ-CQSZACIVSA-N 436.310 0.890 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794580392 CYEWMMBHMXBTGY-OAHLLOKOSA-N 430.530 0.405 30 20 ICED COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798742798 UNIJBNRIUNVFKK-MNOVXSKESA-N 429.389 0.854 30 20 ICED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)CCS(C)(=O)=O 800778516 JJGFZSLDIKKBDW-UHFFFAOYSA-N 446.577 0.903 30 20 ICED CN(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 813981707 VBXNFZGESTUXGQ-UHFFFAOYSA-N 428.879 0.732 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)N1CCN(C)CC1 838498073 PDRVTERJSNAPSN-KRWDZBQOSA-N 449.577 0.516 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3cccs3)CC2)o1 915374101 NZHBFOHXCYRBNH-UHFFFAOYSA-N 431.474 0.928 30 20 ICED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 916198018 ABKCPGCCKSXZDE-UHFFFAOYSA-N 429.498 0.370 30 20 ICED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 917034675 MOKXZIOPBVDGTG-MRXNPFEDSA-N 435.440 0.322 30 20 ICED CCOc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1161678834 LNVQJTAKOWBHMN-UHFFFAOYSA-N 430.490 0.374 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1288806014 KIGMQBVBOSXWGH-ZDUSSCGKSA-N 425.515 0.471 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@@H]2CCS(=O)(=O)C2)C1=O 1317818401 WNNKWVPYPQAHNC-HUUCEWRRSA-N 438.531 0.900 30 20 ICED C[S@@](=O)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318735052 VDSJYLXHWVPZFC-NOVUIFNWSA-N 431.518 0.286 30 20 ICED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1554505558 XEYVOGYMPKCCCL-DLBZAZTESA-N 443.533 0.613 30 20 ICED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC(=O)N1C 1612977997 KBNYCNOIPMYXRO-ZHRRBRCNSA-N 439.520 0.462 30 20 ICED CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1615905233 KCCRTNXETOPWSC-KRWDZBQOSA-N 439.520 0.930 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSC(F)(F)F 1741944490 MVXHFCPQUMCZSL-VHSXEESVSA-N 428.462 0.870 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1751238186 UAFJTCXYLZJGFC-JKSUJKDBSA-N 425.559 0.493 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778053847 TXBPRDQRUZRIFT-RKCFAAOBSA-N 428.533 0.504 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779139671 YGJHQLKMVMVXRF-IQTGRTGDSA-N 427.461 0.821 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1779269949 CCPUPDYJKPNBOU-JROBLHLSSA-N 435.565 0.919 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nn[nH]c2C(F)(F)F)C1 1780193469 AEZPHCFDFQLUMX-VEVIJQCQSA-N 443.426 0.989 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c(C#N)c1 1781174023 ZSIQZRTVTBNHDF-QFIPXVFZSA-N 437.456 0.749 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1781271473 SXMJOCWWCMVWCQ-YWZLYKJASA-N 426.466 0.887 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1781390355 HIRQPMQPESVAPU-IERDGZPVSA-N 433.509 0.765 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011077 LFOMWEDFGPGITC-XCGNWRKASA-N 449.504 0.598 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cncn1 1782530478 UYGAUZTWTNFUEO-LIRVZLPASA-N 448.524 0.882 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783556960 GJTAUQNFGIPOOX-JOCHJYFZSA-N 438.440 0.418 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)NC4)[C@H]3C2)ccc1F 1783631185 WLBOCIYIIYCSGI-JMVFIXPQSA-N 442.491 0.746 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21 1784477671 IZPNTHUBRMVLCN-JOTVOLILSA-N 445.560 0.796 30 20 ICED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCc5nc(O)nc(O)c5C4)[C@H]3C2)CC1 1785328448 FKOGCMODCRFXAF-HPZZRFSDSA-N 441.488 0.276 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363506 MAWYAVWUAWAMPP-VFNWGFHPSA-N 436.509 0.396 30 20 ICED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1788777603 DZVBSLZTELAQDF-WJMWBRGCSA-N 442.516 0.611 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=C)Oc1ccccc1O)C2 1792488739 PPNSACLCTXLPQO-JABISNGYSA-N 441.484 0.733 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1793340138 MAROMABSEDNZGK-UYTYNIKBSA-N 435.521 0.624 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)C2 1793345310 RMOBDCPHVUYOCC-QIUJIZDLSA-N 441.484 0.648 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1793533210 YVJCMZBYQJICBI-LVQVYYBASA-N 427.571 0.234 30 20 ICED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1794280244 DCWLPYOOXRGSPF-NFDRMNTRSA-N 439.472 0.955 30 20 ICED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(I)cnn1C 1796747191 FKHUTQCDAFMICC-GNXNZQSNSA-N 444.273 0.804 30 20 ICED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797440574 GWCOPFRQOLOZFO-HGKCTWBKSA-N 428.537 0.704 30 20 ICED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1797783968 AWHAQZXVZBQZCO-UPHUGPLXSA-N 437.500 0.631 30 20 ICED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1)C(=O)O 1814976294 GGTCTQNQQVLNQI-AAEUAGOBSA-N 436.538 0.400 30 20 ICED CS(=O)(=O)c1cncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)c1 1816120833 XGHMMDPFNBKHHC-HNNXBMFYSA-N 445.457 0.602 30 20 ICED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1820974008 SQJMTHFBASEECQ-OCCSQVGLSA-N 436.469 0.746 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNC(=O)c2ccc[nH]2)[nH]n1 1822197835 VVQAYZTVKRVWAM-OAHLLOKOSA-N 426.433 0.638 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1829903847 DXZYWWKILLHNLC-OAQYLSRUSA-N 425.445 0.300 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)sc3C)C2)C1 1831386497 HAGISWRLXAMCQU-BTYIYWSLSA-N 435.546 0.797 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc(C)s3)C2)C1 1831403223 ZGKSZLKZBDVIMT-KYNLDRKZSA-N 433.530 0.959 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1832452905 IHGDRCGKDLNHBT-HXUWFJFHSA-N 447.517 0.424 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1832916711 BVNCNNOPVFFXQC-IRXDYDNUSA-N 437.537 0.833 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1833224604 DNTMWQMUIWGFNS-NRFANRHFSA-N 443.891 0.590 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cccnc4C(N)=O)CC3)CC2)c1 1833919953 NVVNYXWNCQYVPX-UHFFFAOYSA-N 449.515 0.879 30 20 ICED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834415413 ZLZGHEJMTBYHBG-NRFANRHFSA-N 432.525 0.255 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1834528657 WCJLCXIKWNVFIL-PFDQHCLKSA-N 443.460 0.267 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835349703 RRCBKRGWUXLQRB-HSZRJFAPSA-N 440.500 0.485 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1835674673 CZYCVWMYFGOROK-PGRDOPGGSA-N 436.553 0.684 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835679883 BPADJBRAHNRXSN-QHCPKHFHSA-N 439.516 0.910 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835718195 WSFNYBUWESNYQQ-VQIMIIECSA-N 434.581 0.657 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1Cc3ccccc3C1=O)CCO2 1836594060 LFMDCCMIHFFVNV-XMMPIXPASA-N 439.512 0.902 30 20 ICED O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560189 SFEGKUDLBJPVIC-FFCJBUTOSA-N 429.477 0.511 30 20 ICED CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838731881 CAZRQWCGIHTXAX-JOCHJYFZSA-N 438.488 0.731 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@@H]4F)C3)C2)c(C#N)c1 1839131496 HUDZHVSFJKQMMG-XQBPLPMBSA-N 431.464 0.924 30 20 ICED COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839224074 NVFYXUOBMQHUEF-IERDGZPVSA-N 434.493 0.961 30 20 ICED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420588 RSKFUYHSADHENK-QRQCRPRQSA-N 446.479 0.634 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)CC1 1839623798 CFIDHCFLMMYFTP-FQEVSTJZSA-N 428.424 0.242 30 20 ICED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)cc(C#N)c4)C3)C2)CC1 1839898065 CIWHCJLKAKEHHB-JOCHJYFZSA-N 441.484 0.890 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017131 SOAZEDUJULHTRJ-ZQMYSKGWSA-N 438.484 0.657 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3ccnc3C)CCO2)C1 1840492389 KMEOZKGOINWGFT-TVTNDZMWSA-N 434.537 0.782 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5c(O)nnc45)C3)C2)CCC1 1840813592 ICCNUJRAWINAHI-OAQYLSRUSA-N 440.460 0.199 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)CC1 1840880323 JFWMDVYXKJNDQD-YSNSILARSA-N 443.456 0.577 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056750 WWXFZHHTCRHAFC-UHFFFAOYSA-N 435.571 0.749 30 20 ICED C[C@@](C#N)(NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C1CC1 12598165 UALAJGCQTUBUAF-KRWDZBQOSA-N 427.504 0.734 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cc(C#N)ccn2)CC1 29447635 SHIQNWZDYXNTGE-INIZCTEOSA-N 442.545 0.470 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)Cc1cccnc1)CC2 446461908 HWBVKJJVLHGGQI-UHFFFAOYSA-N 427.486 0.821 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 460492933 JNIJEIGCROGQHS-GFCCVEGCSA-N 426.394 0.538 30 20 ICED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462087019 YQLXDHJXOFWNFQ-INIZCTEOSA-N 438.492 0.536 30 20 ICED COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472162534 ZGZDLQCQXKZZHE-UHFFFAOYSA-N 439.520 0.794 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)C2)nc1 488202179 NDRLYPGYKPCDSK-IBGZPJMESA-N 448.483 0.888 30 20 ICED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)[C@H](C)O)cc1 499836934 JSFWTBQLBMZJMK-PKOBYXMFSA-N 438.550 0.097 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3CC)c(=O)n2C2CC2)CC1 512785254 FSWGAICALQDRDX-UHFFFAOYSA-N 426.546 0.128 30 20 ICED COCCN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 514716903 HWWBSLCBCOBMPS-HXUWFJFHSA-N 434.562 0.338 30 20 ICED CN1CCN(c2ccncc2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 516207900 CDINUZNFPXFFTC-UHFFFAOYSA-N 428.518 0.964 30 20 ICED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C(C)C)c1=O 527030631 VJIWBSGAQSFVPV-OAHLLOKOSA-N 430.530 0.832 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC(N)=O 537740557 VNAASKBPDPMSRU-NSHDSACASA-N 444.469 0.430 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C 537740726 UVOGBZUTAQXXQV-UHFFFAOYSA-N 432.458 0.019 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 547415446 CVBRXXHEYZCSLM-OAHLLOKOSA-N 438.440 0.946 30 20 ICED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549644681 AVSUZQFYGQXTCR-SFHVURJKSA-N 436.557 0.559 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 552754508 RTGCIIUMXXNNRQ-OAHLLOKOSA-N 440.547 0.565 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccc(S(N)(=O)=O)c1 559444454 OMSKBDWNSXVULI-CQSZACIVSA-N 442.501 0.127 30 20 ICED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 568835398 KBTKZCGZYXACHJ-QGZVFWFLSA-N 433.476 0.655 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CC1 575784964 XVKWFRPTOKAANN-GOSISDBHSA-N 427.549 0.910 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc2c(c1)OCO2 609765136 KCIHXZMWUBZUPO-UHFFFAOYSA-N 439.449 0.486 30 20 ICED CN1CCC[C@@H](CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609846088 MDTVLMRACYRERR-GOSISDBHSA-N 433.578 0.665 30 20 ICED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(F)c1 610089557 VCPDIVWLEZFCFE-UHFFFAOYSA-N 431.511 0.949 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610684529 VHGZYGHGEQJHDK-JZKQVHKSSA-N 426.481 0.289 30 20 ICED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619683636 BWXVFZVYEBZVTB-UHFFFAOYSA-N 434.396 0.889 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnc(C)s3)c2=O)cn1 726180959 XMULFVQOZQFQTF-UHFFFAOYSA-N 444.542 0.146 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1C 726642441 BKABWBZHMRDQBN-MRXNPFEDSA-N 431.474 0.617 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 730099058 YPFFUMPEPLBRMC-BBWFWOEESA-N 433.534 0.591 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)c1 731753190 CDXJWQNTMCHNDP-HMMYKYKNSA-N 445.567 0.949 30 20 ICED C=CCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)[C@H]1CCS(=O)(=O)C1 731896573 MHXDMVANYRBHRN-OLZOCXBDSA-N 435.955 0.994 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735294691 DUSDICQKCFDTCA-UHFFFAOYSA-N 449.492 0.487 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 740823209 NGCUQDUCMQFCAX-UHFFFAOYSA-N 427.473 0.509 30 20 ICED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 748810603 WHTHSYZNXUGIRZ-UHFFFAOYSA-N 426.489 0.049 30 20 ICED Cc1c(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 748841649 KCRASZQUCAUAKI-UHFFFAOYSA-N 427.442 0.072 30 20 ICED C[C@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 749325949 HYKWORDCAPFFOM-ZDUSSCGKSA-N 437.453 0.938 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 758050282 FLGUASXCOUAVTK-UHFFFAOYSA-N 446.872 0.370 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758585280 KMPYHUYMWJACKG-UHFFFAOYSA-N 441.582 0.520 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C 768198976 LEZKRZCUUAZNSS-CYBMUJFWSA-N 439.451 0.865 30 20 ICED CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 774877823 OHULBMYWATXAMP-HNNXBMFYSA-N 431.559 0.962 30 20 ICED CCOC(=O)[C@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775527431 XYDJUOSPLSCJDT-AFDUHFSSSA-N 426.495 0.935 30 20 ICED N#CCCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 776121463 HWZFKVHTBPXLBC-UHFFFAOYSA-N 434.927 0.885 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)c1 777172893 DZDBYWQPEUFCRH-ADSWHHSESA-N 445.505 0.503 30 20 ICED CC(C)N1CCN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)CC1 781454994 SCAWHFOHNUMXII-IBGZPJMESA-N 432.546 0.796 30 20 ICED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 782130836 LVXBSOODPFHAMM-IBGZPJMESA-N 435.440 0.222 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)nc12 783280769 CVSPSINRZVVYFZ-LJQANCHMSA-N 446.423 0.825 30 20 ICED N#CC[C@H](CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 795979244 AUIOIMJDCMPVDY-MOPGFXCFSA-N 433.530 0.948 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800849033 RILGLNRDOLVIOE-UHFFFAOYSA-N 425.466 0.267 30 20 ICED CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCCn1cnc(C#N)n1 804620987 CTHWTXRSDXSOKO-IYCSXQJISA-N 434.547 0.978 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@H]1CCCO1 809313016 RCWXJMRJWILPNJ-PZJWPPBQSA-N 438.528 0.407 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cncc3C2)cc1 810461203 SMOPSHBMKISEOW-XLNRJJMWSA-N 430.490 0.677 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 811041907 DCRYLFKMRLHKFF-ZBFHGGJFSA-N 433.490 0.712 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CCOC 838220050 ZCHFOJKZRKLGFA-UHFFFAOYSA-N 440.294 0.707 30 20 ICED COc1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)cc(OC)c1OCC(N)=O 914698386 XFGJHBBZALQQLW-UHFFFAOYSA-N 449.489 0.850 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 916777964 ZQTDKYVHFUIZEU-KRWDZBQOSA-N 429.433 0.764 30 20 ICED NS(=O)(=O)N1CCc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc21 918639841 WZQLXUQGVUSGFN-UHFFFAOYSA-N 449.514 0.320 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1 927569051 GQRXOZNSUDUIPO-FUHWJXTLSA-N 449.529 0.503 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1320230038 SLXUMVOHWMKVQU-UHFFFAOYSA-N 429.473 0.346 30 20 ICED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1503246945 XDGBNGOCBNGVIV-FQEVSTJZSA-N 432.550 0.754 30 20 ICED CCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1515841357 AVDGTHRGSOHTIU-YESZJQIVSA-N 439.586 0.691 30 20 ICED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1613085334 BIIYBCJBZMSAMO-COXVUDFISA-N 430.506 0.214 30 20 ICED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1690929504 ZPHXFCLXYFVCNY-UHFFFAOYSA-N 446.533 0.878 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1698059262 VPQIIMNKTCVCAK-INIZCTEOSA-N 438.554 0.848 30 20 ICED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1706832374 MOBPMRJJFJWNMW-QRWLVFNGSA-N 432.550 0.753 30 20 ICED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C1CC1 1729066204 WTKJRQWDUBRQLZ-UHFFFAOYSA-N 441.540 0.581 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1741676031 UVFLVTQUVDAAGM-INIZCTEOSA-N 430.557 0.898 30 20 ICED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1747538253 KGQNFNXWDHDTHH-INIZCTEOSA-N 446.533 0.830 30 20 ICED CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1750546729 HSMHWDZAYRDTRQ-UHFFFAOYSA-N 445.549 0.671 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105671 MNFDDOUOPQPNSB-GAMXZPBPSA-N 437.493 0.855 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)CCO2 1781264399 YXPAGQUAHFNXBL-JKSBSHDWSA-N 436.505 0.915 30 20 ICED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781337682 UQKOJMYGEPCIPA-HTAPYJJXSA-N 435.521 0.505 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccnn2)C1 1781549020 NMUJSQNGDGKWPS-CSODHUTKSA-N 433.509 0.862 30 20 ICED COc1cc(OC)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782013712 BYUBFXIZKVQEQU-XMSQKQJNSA-N 430.457 0.919 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H]3CCNC(=O)C3)CCO4)c2c1 1782198326 OCLYHZZMBAJSQY-IVZQSRNASA-N 436.472 0.404 30 20 ICED O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782449852 UNTAAKKSZDRBNL-BSOUKZRHSA-N 448.524 0.711 30 20 ICED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783916163 XECCBZWBOCWYEO-ACRUOGEOSA-N 426.517 0.997 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)cc1 1784929044 KUXZEVJGDLAVKV-KPSNGJBRSA-N 444.488 0.758 30 20 ICED COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n1 1786858281 RNBMNGSBXFRSJN-WDSOQIARSA-N 443.548 0.894 30 20 ICED NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1786888603 QVVNQXRZAMRMFV-FBAXNIALSA-N 448.545 0.060 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c2cc(O)ccc2n1 1788282088 FYAUNWBTDQIJKH-DCPHZVHLSA-N 437.452 0.930 30 20 ICED C=C[C@H](O)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 1788569958 GYFBJNTZDZGFIM-XAJHFOFHSA-N 430.567 0.220 30 20 ICED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602213 OXGJCZFRMMUTSS-NWQJETKOSA-N 440.566 0.344 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)n1ccccc1=O 1788745588 BNXULCFWJOFNFR-QGFIRNMTSA-N 443.548 0.861 30 20 ICED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)c1 1789259978 NZVLANNAWPUGIO-FXECBMLZSA-N 426.473 0.296 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790145124 IMSPCKXXUSDXIM-KEXUJGGDSA-N 443.500 0.962 30 20 ICED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cnn2c1CCC2 1790391769 XKYVEZRNXAWXLO-UZRSVZKRSA-N 428.537 0.894 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589499 FLBMPDOQFJFAGZ-IHRRRGAJSA-N 426.420 0.752 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1790878310 VPWWSKYNTCBBTP-DZKIICNBSA-N 440.447 0.904 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)ccc1F)C2 1792491334 MLFHHGRDWGBGPC-KULPGCBOSA-N 431.464 0.896 30 20 ICED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793383910 ICFJELPEWOYHGX-RWBXXCMYSA-N 435.546 0.996 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327621 OJOMWSSLZFWIJV-HEFCWWFNSA-N 440.479 0.757 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1799361801 IQHCRKWGUUROER-SFNKJDCFSA-N 437.537 0.818 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1799395758 XUJPUJMEFWZRSR-ACDHPSKBSA-N 434.537 0.778 30 20 ICED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799625450 XAAFJYKEEFLEAW-CCWDJLKJSA-N 429.473 0.498 30 20 ICED N#Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)cc(C(F)(F)F)c1 1799787801 YTUWGWYBZMVFFZ-YWVIFJGQSA-N 439.394 0.449 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CSCC(=O)O)[C@H]1c1cccnc1 1802496768 CZRNZUYGAVMKIC-GLPQSPQZSA-N 446.529 0.764 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)COCCOCCOCCOC)[C@H]1c1cccnc1 1812942157 VLFQFFAZBYMYHA-DENIHFKCSA-N 433.505 0.417 30 20 ICED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022561 GLGOHQWRURTUML-SFHVURJKSA-N 437.541 0.671 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(C)(=O)=O)CC2 1822922265 FXQIEFQLZHRWGG-LLVKDONJSA-N 429.520 0.609 30 20 ICED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826013262 OPGPEUMZUCMRMB-MNOVXSKESA-N 432.593 0.104 30 20 ICED CCSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829580380 SYGVEOLYPSDCGU-FQEVSTJZSA-N 433.486 0.352 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)c1 1829712910 CYGVJEIKBQCJIK-FQEVSTJZSA-N 433.534 0.005 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1829769364 RKLCWCAEVSPDHB-QJKPHDSHSA-N 445.520 0.392 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1829770324 JFKNBIKHSIELJU-VKUXZERMSA-N 448.907 0.663 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1C(F)(F)F 1831215393 KMDJVMPNRJEUOT-IBGZPJMESA-N 440.422 0.922 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1831393093 UVQUQCIZWBAEFA-GAJHUEQPSA-N 438.484 0.738 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1831401639 DVJJLNAQEWEKMO-JPYJTQIMSA-N 428.485 0.672 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831478037 KCPUCQYZPPCSJX-YWZLYKJASA-N 426.514 0.158 30 20 ICED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)cn1 1833429809 JHRNSWNDCQHFGY-XLIONFOSSA-N 438.550 0.900 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@](C)(O)C(F)(F)F)CC2)CC1 1833465257 TUOZXOJEOHCZSU-LIRRHRJNSA-N 433.471 0.910 30 20 ICED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1833737633 GRLVIAMTRSFZFF-FQEVSTJZSA-N 430.440 0.695 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833783031 IYYHBHVMEWRZLQ-HZQHCPKGSA-N 449.895 0.058 30 20 ICED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)no3)CC2)CC1 1834716748 UPROKSGUFUIQCR-UHFFFAOYSA-N 432.525 0.847 30 20 ICED COC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)c1ccccc1 1834753227 CONMATBLGNIRFO-NQIIRXRSSA-N 430.461 0.454 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837118595 WYQNNFCSQZLPQN-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837397359 VSAJEYATWPPBHY-VGOFRKELSA-N 443.504 0.601 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837431624 YUIQZKJNUYDZPJ-NQIIRXRSSA-N 437.613 0.628 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837490856 DBRJLLCOLRNAIS-JXFKEZNVSA-N 426.460 0.797 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cc(C)on1)CCO2 1837552407 PCGCXSVGUBWRIQ-NUTBXXOCSA-N 444.488 0.311 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837682226 RYQLFWGPBNUIOF-DJPFJPOOSA-N 437.562 0.820 30 20 ICED C=C(C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1)C(F)(F)F 1838404377 PKTJSVMFFHEWFN-LJQANCHMSA-N 449.470 0.754 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1838415077 WIPWFAVZWAPGHY-HXUWFJFHSA-N 445.501 0.376 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838534318 LVYFVPXFNGVYPX-IIBYNOLFSA-N 434.493 0.256 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)c1 1838581909 VUKKGNGFZBGRKC-QFIPXVFZSA-N 437.456 0.741 30 20 ICED Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc2nccn12 1838706642 PJEYURMDXRLBAT-UHFFFAOYSA-N 439.472 0.738 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=C)CC(=O)OCC)CCO2 1839173436 PKMVWAPZYSHRHB-FQEVSTJZSA-N 426.535 0.871 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1839453576 RZOGFHAWLYUGOG-GCJKJVERSA-N 426.473 0.073 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2 1839681280 JZDIXRZQLCDABC-DYESRHJHSA-N 442.509 0.987 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840164756 GBQVDORGQZZDLS-KKSFZXQISA-N 435.546 0.500 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1840193829 YNRZTDQBXHOSBZ-FQEVSTJZSA-N 433.486 0.446 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)ccc1F 1840538129 YAHKPXNMEVJEQM-HTAPYJJXSA-N 431.464 0.733 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CSCSC3)C2)C1 1840842420 FZJZRSXSUBFFLQ-LPHOPBHVSA-N 427.592 0.899 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875368 LSWXWZIDKPQNHM-PVFZMYLSSA-N 439.509 0.398 30 20 ICED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)CCC(N)=O)C2)CC1 1845994387 FDXXPQDDURSFNL-UHFFFAOYSA-N 447.536 0.996 30 20 ICED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847511727 NWWNDOWUHDVSLY-OKZBNKHCSA-N 449.548 0.772 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1848073944 RYWHNBMHFSQQAP-OALUTQOASA-N 446.529 0.113 30 20 ICED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 410405763 ZHOOAXICZIPKLG-GJZGRUSLSA-N 426.543 0.692 30 20 ICED CC[C@]1(CO)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 426455990 CHMVWZHUZJLMAR-NRFANRHFSA-N 434.562 0.876 30 20 ICED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCC2)c1=O 431025931 QKAQDUIEWHDZKH-UHFFFAOYSA-N 429.546 0.895 30 20 ICED COC[C@](C)(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 434733829 CXVULQLKOXVROF-IBGZPJMESA-N 434.474 0.620 30 20 ICED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 434830992 MAIBLMYFTFRMLN-QGZVFWFLSA-N 432.458 0.471 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 437002165 LWPBUVNOXRDLMJ-AWEZNQCLSA-N 434.522 0.742 30 20 ICED COc1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1OC 444511517 LVWOSKAKZOZYBV-UHFFFAOYSA-N 440.460 0.737 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)c1ccccc1 460606155 IWDVVVTWHRNQIU-UHFFFAOYSA-N 431.456 1.322 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cn1 460736209 OQOMNOJYBOXYBY-MRXNPFEDSA-N 439.501 0.644 30 20 ICED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)C(=O)[C@H]1C 460774806 YQTXLSZVFGCFHB-CABCVRRESA-N 426.543 0.244 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@](CO)(c4ccccc4)C3)n2)cc1 464025569 WXHDSNFXAQWYNQ-QHCPKHFHSA-N 430.468 1.299 30 20 ICED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 477366616 OEEFSQDTMCRPCC-AVRDEDQJSA-N 439.516 0.839 30 20 ICED N#Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)cc1Cl 477630551 YBYPPPFQPISBRM-UHFFFAOYSA-N 433.852 0.663 30 20 ICED C=CCNc1nnc(S(=O)(=O)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 479020492 APBZZZYLIJEGDW-UHFFFAOYSA-N 445.548 0.799 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCC(=O)OC 479380065 HUNJODLZXVBAOG-UHFFFAOYSA-N 444.513 0.296 30 20 ICED CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 480876008 NWQBSSQQNANKFN-KPZWWZAWSA-N 432.483 0.519 30 20 ICED C=CCOC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481751408 ABZGFSZQSYWXIQ-OAHLLOKOSA-N 442.490 0.190 30 20 ICED COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 499841159 DWGXVXDMUOSYKL-UHFFFAOYSA-N 429.521 0.940 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 502017153 LVGDXGHTJGIFLH-UHFFFAOYSA-N 430.490 0.447 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502049888 NYNRUWVTEIALDL-ZDUSSCGKSA-N 435.575 0.051 30 20 ICED N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2=O)cc1 502798134 ZDBLYNGFGYFGDM-MSOLQXFVSA-N 432.502 0.317 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 512476116 XOWBQILWMBSCSG-SFTDATJTSA-N 432.613 0.697 30 20 ICED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 526925167 LAQCKRAITBZWAG-UHFFFAOYSA-N 449.514 0.803 30 20 ICED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)CC1 536988616 HSSYRFSPMQRXBE-OAQYLSRUSA-N 432.613 0.745 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 537665533 NWYJLDIYSBFCOF-UHFFFAOYSA-N 446.485 0.910 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 557732597 YMZBBSOOFYZIFV-LEWJYISDSA-N 439.560 0.468 30 20 ICED CC(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 558050751 IJXPJQJNBIIFRS-GOSISDBHSA-N 425.489 0.497 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)n(C)n1 565272089 LSPPIQMGGHRNOL-GOSISDBHSA-N 436.520 0.429 30 20 ICED COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 574784994 UJSNAKDCXQJRDK-HNNXBMFYSA-N 440.504 0.841 30 20 ICED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)nc1 581030275 WFLBLKVNSVSJST-MOPGFXCFSA-N 426.521 0.361 30 20 ICED N#CCN1CCC(NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 588375611 LDUYEDUFQCBKJI-RDJZCZTQSA-N 425.489 0.126 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2OC)c1=O 603796294 DRCDXTFLDRDGAV-UHFFFAOYSA-N 431.514 0.603 30 20 ICED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 610583556 LKIZAUUDIXSKHQ-UHFFFAOYSA-N 426.442 0.690 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 610807177 SUCVLIOFPGLZCH-VQIMIIECSA-N 433.578 0.852 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(C#N)cc3)cn2)CC1 618040626 GVWUECSCNVKLRO-UHFFFAOYSA-N 428.474 0.612 30 20 ICED C[C@@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)N(C)CCC#N 727221444 QJGQSFHJEROTGD-SECBINFHSA-N 425.243 0.196 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CCS(C)(=O)=O 729673606 XJSBXDQKZUAYTH-UHFFFAOYSA-N 447.582 0.546 30 20 ICED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(S(=O)(=O)N(C)C)c1C 732910261 NMIDQKUFKXUONZ-HNNXBMFYSA-N 441.531 0.133 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 733148471 AAEXBPYVQAKUOT-UHFFFAOYSA-N 432.546 0.368 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)CC1 733890919 NZMUGVWIYZXKJM-FMQUCBEESA-N 447.517 0.478 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 745356096 FCEKGKYDWCSZCJ-WCQYABFASA-N 439.519 0.888 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 756757574 CLYVKGKIRFASAZ-STQMWFEESA-N 426.499 0.808 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 758089369 MBFYPUFDULDLJE-WMLDXEAASA-N 429.882 0.331 30 20 ICED N#Cc1ccc([C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C(N)=O)cc1 758093617 XCKPBMKSZAXPKG-HZPDHXFCSA-N 437.861 0.621 30 20 ICED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CC1 760197329 ZETRNMRDYGLLDA-UHFFFAOYSA-N 449.529 0.445 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782924001 CZIVGOUYZGNCSZ-UHFFFAOYSA-N 425.897 0.937 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N2CCOCC2)o1 785649085 QWSSIMOLHWEPMO-QGZVFWFLSA-N 426.477 0.573 30 20 ICED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)nc2n(C)c1=O 786559923 YODKYPHRJZXLPN-CYBMUJFWSA-N 427.367 0.549 30 20 ICED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 786569821 MIJMZHLSYOAVKO-IHRRRGAJSA-N 439.440 0.325 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3-n3ccnc3)CC2)c1C#N 787445228 TVBYGWLLKJKRJC-UHFFFAOYSA-N 433.476 0.146 30 20 ICED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)c1 787774941 MPKMNYDUDXENSQ-CYBMUJFWSA-N 430.490 0.267 30 20 ICED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1=O 789704387 ZSOWZBFKVSOCRX-QGZVFWFLSA-N 426.498 0.985 30 20 ICED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 791329453 FDNHMUDAIHLABG-UHFFFAOYSA-N 425.470 0.920 30 20 ICED CCn1c(=O)c(C(=O)COC(=O)c2ccnc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 795966647 CKEWGJYVVDVTSD-UHFFFAOYSA-N 433.424 0.967 30 20 ICED N#Cc1ccc(N2CCC(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2)c(F)c1 797022048 AXXJUJMGBQEIGM-INIZCTEOSA-N 432.477 0.880 30 20 ICED C#CCC[C@H](O)CNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 798415896 JRRNGXRVVALXMR-INIZCTEOSA-N 439.534 0.930 30 20 ICED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 804819761 IYKIGEZWMWGNKG-UHFFFAOYSA-N 429.296 0.603 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 916664603 LUHYCVWNGXHVMQ-UHFFFAOYSA-N 427.482 0.109 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(=O)NC)c1 918353140 JWRKZLYIQZSCCG-HNNXBMFYSA-N 432.506 0.865 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 920248721 FUVYONWKRVSBLC-SJORKVTESA-N 440.543 0.406 30 20 ICED CC[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297793427 PUFFJEVZBWVLIS-MKTHODDLSA-N 442.549 0.871 30 20 ICED CC(C)N1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1303803332 MAAMFZYLZOVTNP-JKSUJKDBSA-N 441.602 0.862 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1316533352 MTQPDVYFUPEIHR-LJQANCHMSA-N 433.490 0.115 30 20 ICED C#CCNC(=O)C1CCN(Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC1 1325286325 SZHGVKBDCRDXGS-MRXNPFEDSA-N 434.566 0.430 30 20 ICED C[C@@H]1CCS(=O)(=O)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1326376798 YTZUMYFJVDPYGO-OAHLLOKOSA-N 439.559 0.995 30 20 ICED C=CCN(C(=O)/C=C(\C)C(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1347176733 OOVCTNMFVPVDFW-XYXDXOEKSA-N 444.575 0.336 30 20 ICED CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497293046 JKTVOLHGCMRTBN-DOTOQJQBSA-N 441.540 0.894 30 20 ICED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1519162853 VTLDAOSGKYDJAB-FQEVSTJZSA-N 428.497 0.358 30 20 ICED CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1541049577 URAOZJUMEMURDG-QFIPXVFZSA-N 440.504 0.985 30 20 ICED N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CCO1 1555996221 XKFTWHYUIKYGQQ-GOSISDBHSA-N 428.468 0.986 30 20 ICED CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1617728613 IRKNXIGIYLXDGT-QGZVFWFLSA-N 428.518 0.966 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1691004901 VUYBBMBUYSMFNM-RBSFLKMASA-N 429.568 0.601 30 20 ICED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1711425759 YBHMZBFXBWWKCY-GOSISDBHSA-N 433.469 0.720 30 20 ICED CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1729083652 ZDUWXGSUEQOKND-KRWDZBQOSA-N 434.522 0.813 30 20 ICED COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729982220 NHPPBMNTIVGFCK-GOEBONIOSA-N 434.522 0.982 30 20 ICED CC(C)NC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1741701919 RKPWAHUMCLOSLW-HZPDHXFCSA-N 439.524 0.683 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)Cc1ccccc1 1751236145 PFOXVTPKIXDTBF-WMZOPIPTSA-N 447.565 0.749 30 20 ICED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382885 VAXMMEBPSPNLBE-QFIPXVFZSA-N 427.505 0.654 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779066799 HHGPUHDCPNNIQY-HSZRJFAPSA-N 442.516 0.643 30 20 ICED CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779101376 KSOLFXJMIUXZTL-VRFIZVPASA-N 434.497 0.832 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)/C=N/N5CCCCC5)CCO4)C3)CC2)CC1 1781109288 MOLIEKMLRDTUQB-ZRZWOPFXSA-N 446.596 0.068 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1Cl)C2 1782017834 NQNNKMLNCQNRII-OZOXKJRCSA-N 434.876 0.975 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728561 YYXAFSSMOPLDPB-GAJHUEQPSA-N 428.533 0.804 30 20 ICED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051453 BBFWMEPPDCRJNH-JOCHJYFZSA-N 443.504 0.711 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 1783112320 BJLYGJATQJRKDJ-WZONZLPQSA-N 448.564 0.686 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 1783533060 NFKXDEFLGOQBHQ-VUYWEDGLSA-N 441.532 0.353 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1783684229 TWHHCHKSQMTNKW-ULQDDVLXSA-N 440.566 0.187 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1785376483 UBISBLJYOVIOGL-JOCHJYFZSA-N 438.440 0.480 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382137 TYPVHZFCUCQGFH-FCHUYYIVSA-N 445.472 0.383 30 20 ICED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1787404833 BMJSDNFCQAKIAF-HAGHYFMRSA-N 441.532 0.917 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681450 VHFBWQUQKXCTLW-PPKZOYOQSA-N 426.473 0.900 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccnnc5O)[C@H]4C3)c2c1 1789116233 MSOBHJJQXHTNMI-OWQGQXMQSA-N 447.455 0.837 30 20 ICED O=C(CCn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791522330 GIIPQOIGKHNUKU-YWWIBMGISA-N 434.497 0.177 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(N(C)C)c1)C2 1793340809 OOLMNWUIKBSYJE-AYMMHLMVSA-N 429.517 0.759 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1793340976 XLUBKJXHSVAFOY-NTNQKNOYSA-N 433.436 0.904 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1793595010 JJRVUWHUCLQXNY-DFGXFYAUSA-N 448.524 0.337 30 20 ICED 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)cn1 1794903323 CWQXNEGWHCOILZ-DFGXFYAUSA-N 445.520 0.540 30 20 ICED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#Cc3ccccc3)cc2C1 1795278854 MEYKOBVHTFOMSW-IRJINJETSA-N 447.539 0.974 30 20 ICED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797837097 NYJAPZVFUFPHKI-XLVVZMLWSA-N 426.473 0.934 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2 1798266816 KWARUGOYGVWXJS-ZYKCCNLVSA-N 440.460 0.751 30 20 ICED COc1ccc(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)CCC2)cc1 1800778687 MIISARRPEOUHDR-VPTLXERWSA-N 426.469 0.795 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812643806 TXQPXZDSQCZXBA-HLIPFELVSA-N 428.489 0.733 30 20 ICED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](C)S)sc3C2)CC1 1826019590 LIMWEEROVRMBII-DGCLKSJQSA-N 425.580 0.538 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829743993 QWNCRMSXBNFTKD-QKLQHJQFSA-N 425.526 0.795 30 20 ICED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831183786 UDPMTDHEACTREE-MBSDFSHPSA-N 427.501 0.409 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831405717 GNQRQJCYBQQQMR-QFIPXVFZSA-N 448.520 0.440 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccc3C)CCO2)C1 1833007853 LTGQDSYNDJUEPP-AUSIDOKSSA-N 429.517 0.817 30 20 ICED N#Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)cc1 1833107986 BNIYCPKLPFRUMI-UHFFFAOYSA-N 426.521 0.341 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1834766912 DPFRMJMGWNTIQP-SGTLLEGYSA-N 441.410 0.513 30 20 ICED C[C@@H]1Oc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cc2NC1=O 1835359883 MTWMYUCDIFKCFK-OYHNWAKOSA-N 442.472 0.780 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2 1835599183 HFFPBRLCTCEKFT-XERREHJYSA-N 425.526 0.326 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1836447117 GOFCBQDMJZUOQO-QVKFZJNVSA-N 427.461 0.066 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)c1 1837488436 FRTBGZQCGYNOKT-QFIPXVFZSA-N 430.505 0.189 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837566652 DKWLATUEGXUDET-XOBIUNJKSA-N 426.473 0.793 30 20 ICED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908010 CGASMYXEMHPAEH-OAQYLSRUSA-N 445.545 0.112 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc(O)nn4)CCO3)C2)CCC1 1839652476 HBUIONNDUVASNC-NRFANRHFSA-N 429.477 0.265 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC4(CC3)OCCO4)CCO2)C1 1839772564 CFCZMYPTHDQSDY-NRFANRHFSA-N 435.521 0.926 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839887765 PPPXNDKGIVFLPU-KRWDZBQOSA-N 428.392 0.169 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5c(c4)CCO5)CCO3)C2)CC1 1839997735 DMJLPEXGHSXUAB-QHCPKHFHSA-N 425.485 0.924 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Br)cnn3C)C2)C1 1840160265 CPSJGYVSXYHVPS-ZBEGNZNMSA-N 447.355 0.571 30 20 ICED CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CC1 1840165961 PNJZOYSZLXCUNG-QRWLVFNGSA-N 443.566 0.630 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCC5)C3)C2)CCC1 1840814195 TXDLEXZOHXKBSO-JOCHJYFZSA-N 427.505 0.983 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1840819077 NBEUSZUFFKCKBL-JOCHJYFZSA-N 437.456 0.497 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1840908478 MLDQKIBXYJNPEP-JTSKRJEESA-N 435.521 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(S(C)(=O)=O)cc1 1847263263 PNSIZEFSCYWMSX-IDPBEMBBSA-N 445.541 0.693 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)NCCO)cc1 426904871 LDHTYMYJPLVSJX-AWEZNQCLSA-N 430.486 0.515 30 20 ICED CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)c2)CC1 438766294 WUGMEXPFDXETHZ-UHFFFAOYSA-N 428.537 0.988 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n1 439028340 LVELNBLUKPFGDE-UHFFFAOYSA-N 434.460 1.389 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 439362654 XJCCDSYREWFSRB-UHFFFAOYSA-N 449.876 0.813 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 461753767 HEDMERNCTUOVNR-UHFFFAOYSA-N 429.462 0.953 30 20 ICED Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 463201732 WVWSLUVGUWIDHQ-SFHVURJKSA-N 432.484 0.963 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 464811539 UGJJXSCYBNMHGT-AEFFLSMTSA-N 428.541 0.511 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 465335042 UIFLKARDLWGQIE-UHFFFAOYSA-N 425.493 0.372 30 20 ICED Cn1ncc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 475442133 BKXLPKAWMSYLSX-UHFFFAOYSA-N 431.474 0.600 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 478847224 BXWUQEIHDOOWBB-ZDUSSCGKSA-N 436.449 0.910 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCCSC 478848318 AIFUXDGVXFNXCL-UHFFFAOYSA-N 449.602 0.706 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 479391001 ATMUIDDYQVNASD-UHFFFAOYSA-N 425.510 0.597 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN(c2ccc(C#N)cc2)S(C)(=O)=O)CC1 494470088 CYPCRSBJDXQYHF-UHFFFAOYSA-N 435.550 0.383 30 20 ICED CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503932677 YQEYPTCWFQUTIC-LJQANCHMSA-N 440.504 0.434 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c(=O)n(C)ccc12 505677308 KWUQYTCFEXDEJS-AWEZNQCLSA-N 431.456 0.876 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)C[C@H](C)O1 521821129 WHDBGRZZJPNWNY-IRXDYDNUSA-N 435.550 0.146 30 20 ICED Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3F)C1)c(=O)n2C 521861906 ACIYGVMQDLLAPK-CQSZACIVSA-N 439.451 0.230 30 20 ICED CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1cc([N+](=O)[O-])cn1 523252900 GSXFMWJIKRTJDT-UHFFFAOYSA-N 432.462 0.931 30 20 ICED CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 537211170 NPZYXNOQKGULIO-IAGOWNOFSA-N 439.607 0.861 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1 539194739 RCDCSSCNLCJCEQ-UHFFFAOYSA-N 428.489 0.755 30 20 ICED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 544820632 LRJCMAZMSSYEHG-CJNGLKHVSA-N 438.506 0.045 30 20 ICED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC2)c1C#N 558544506 JPVROSZWFZPFNX-UHFFFAOYSA-N 427.490 0.707 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccncc1OCCN(C)C 572441611 QPOBJMGZKZCBGN-UHFFFAOYSA-N 448.487 1.038 30 20 ICED COCCOc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 577714238 DCEHQDIZHHSMEI-UHFFFAOYSA-N 440.504 0.590 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCN3CCCCCC3=O)C2=O)cc1 585688995 LVDHDNLYSBBEMB-IBGZPJMESA-N 439.516 0.684 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H](CN4CCOCC4)C3)CC2)nc1 587659694 XBOFJLRDNBKFGK-LJQANCHMSA-N 440.548 0.609 30 20 ICED N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@@](F)(C#N)C3)cc2)C1 589290758 YUCNBJAKYJAMRC-HZPDHXFCSA-N 430.458 0.939 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CC(=O)NCCOC)C1=O 726395297 JSGLSGSNEVWFMY-OAHLLOKOSA-N 438.506 0.534 30 20 ICED CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726401326 MLRMSEVTZXQPNK-XHDPSFHLSA-N 431.518 0.910 30 20 ICED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 729208648 NVMAPOTYUNPEKY-MRXNPFEDSA-N 439.472 0.420 30 20 ICED CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730723752 LHKGIAZLHOAPHL-QBTWCYAOSA-N 441.517 0.879 30 20 ICED N#C[C@H](C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)N1CCS(=O)(=O)CC1 732907938 GHWGDSOMQBVESZ-CYBMUJFWSA-N 428.426 0.109 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 733149535 JGWJAYNVJNEUGU-INIZCTEOSA-N 426.583 0.917 30 20 ICED COC[C@H](C)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 733716527 RMGGVIIJDZJYKC-GXTWGEPZSA-N 431.536 0.621 30 20 ICED CN(C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O 746848893 XYJFYYPENVCXNM-UHFFFAOYSA-N 442.563 0.388 30 20 ICED Cc1noc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749044594 OWWQWCRBWHOQAY-UHFFFAOYSA-N 432.458 0.853 30 20 ICED CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758640924 JSXFUKFRXGUBMF-LSDHHAIUSA-N 430.527 0.855 30 20 ICED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766346187 QUYCCOBUUAZFHQ-QGZVFWFLSA-N 447.561 0.270 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCC(=O)c1cccs1 767636078 IKOYMHQKODUVJD-GFCCVEGCSA-N 435.483 0.829 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O)c1cc[nH]n1 772431494 AECOLCZCUNDHSV-UHFFFAOYSA-N 444.448 0.268 30 20 ICED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 779622937 JMGOECPNGVKCQE-OZNQOIHVSA-N 432.502 0.737 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 781449885 WLVKZCRNHUAZGZ-GFCCVEGCSA-N 439.398 0.831 30 20 ICED COc1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc(OC)c1OCC(N)=O 781597123 DXJFUEFMHVEGJF-UHFFFAOYSA-N 437.405 0.697 30 20 ICED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 787780275 ZXOKEUJIFPMYBO-CQSZACIVSA-N 444.517 0.609 30 20 ICED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789618382 BTIJOKFSXDPOKW-ACIHENLCSA-N 437.522 0.421 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC=CCC2)c1 797372235 WSLAFQOYUSTJDJ-PTGBLXJZSA-N 433.534 0.816 30 20 ICED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 806399420 NNCHDLBLMXRFKI-KRWDZBQOSA-N 436.520 0.203 30 20 ICED C=CCOc1ccc(CNC(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1 807288834 ZDKIBYCOLFVCTC-UHFFFAOYSA-N 433.486 0.713 30 20 ICED CSCCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 839369361 GCFSGUDNRYAEKJ-UHFFFAOYSA-N 443.554 0.809 30 20 ICED CCS(=O)(=O)N1CCC(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 849081648 HZNQCUQVOXVDIL-MRXNPFEDSA-N 429.587 0.929 30 20 ICED CN(Cc1cnn(C)c1)C(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116065839 IPECZQIPAKQCRT-QGZVFWFLSA-N 438.444 0.699 30 20 ICED N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1 1452695361 XJSODUHOHKQDPM-NRFANRHFSA-N 439.560 0.820 30 20 ICED CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503841318 PHMIGZRCTWHTMM-UHFFFAOYSA-N 432.554 0.619 30 20 ICED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1508426823 WLESCWXHPRKTFB-OIISXLGYSA-N 439.586 0.547 30 20 ICED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1516229523 QBGJDCOLKXOLSG-UTKZUKDTSA-N 426.477 0.806 30 20 ICED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1518710189 YPOHKKHCVPIJJC-CPUCHLNUSA-N 430.506 0.335 30 20 ICED CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554508542 YSAJVOJLFBYGHL-HNNXBMFYSA-N 447.569 0.403 30 20 ICED CCc1nn(C)c(CC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1613895595 WNZCFOUBQDMLIE-GJZGRUSLSA-N 447.565 0.816 30 20 ICED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)C1 1698309619 RRMQXFYIRBAULY-HNNXBMFYSA-N 429.506 0.034 30 20 ICED CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1710193761 ZHEXGXYFYVQJTD-KXBFYZLASA-N 434.497 0.852 30 20 ICED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710989144 YUOLMWMMNXIDDG-HNNXBMFYSA-N 442.549 0.534 30 20 ICED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1722486349 YAJWBMKSXYEFKY-ZIAGYGMSSA-N 446.371 0.610 30 20 ICED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n(C)n1 1725851273 ZARMRVDCMLBYAA-PBHICJAKSA-N 447.569 0.155 30 20 ICED CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1764215940 ODAJNEFILYSZDE-XHSDSOJGSA-N 425.559 0.491 30 20 ICED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1779020526 RCEWVCCHHGEJJR-UKKLRFBMSA-N 431.541 0.948 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779255705 SPXBSTXUGSNWSN-WZONZLPQSA-N 433.549 0.820 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)c1 1781777264 GCBJLCAGCQPGKH-GEQKSPFYSA-N 440.500 0.830 30 20 ICED C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009315 LJTVOSYBWCKJGV-AQOAWAETSA-N 428.489 0.594 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(O)Cn1cc3c(n1)-c1ccccc1CC3)CCO2 1783055298 QQZSJXWVGJURLK-RPBOFIJWSA-N 448.523 0.863 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C(/C)C(=O)O)C3)C2)c(C#N)c1 1785418655 SQFLTIJORUTHJW-JBOCTPFWSA-N 427.457 0.970 30 20 ICED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(Br)nn4c3)C[C@@H]21 1786365422 JRBASMRVJNTTCG-IHRRRGAJSA-N 447.293 0.999 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1786857903 IZWZJQRTMZWIQF-PBWTXFEYSA-N 428.537 0.343 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787492487 FXAYKMNWZNLBMR-HCDMYHGNSA-N 442.607 0.723 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789092867 MQBBGEGTZFJKHS-QAETUUGQSA-N 427.505 0.937 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C[C@@H]32)c1 1789507992 YQNRATJKAVXTCS-BQFCYCMXSA-N 447.455 0.196 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1789809129 BFMXEQLSAXGMPK-KSWRQPAISA-N 436.509 0.108 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 1789890846 XXQJICXZMFQSKD-ZOBUZTSGSA-N 432.477 0.588 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1791258837 AARYIOIXDXPEDE-QCPWZWHMSA-N 441.575 0.538 30 20 ICED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1791542921 PCWSNEDALADRAK-KANFNMMFSA-N 442.520 0.130 30 20 ICED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556743 SSIVEATVJASIIZ-BBIADKPPSA-N 426.517 0.997 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(OC(F)F)cc1Cl 1794403213 NRUOMPBZMWRTDF-KEODLESXSA-N 443.790 0.628 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c(O)n1 1794488137 XYKXWQFULSYOMA-IHSNIMORSA-N 442.516 0.635 30 20 ICED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795412537 OCDPXODKPBHTEX-JEZSTIGHSA-N 448.520 0.252 30 20 ICED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1796597328 NXGDPOHKAPFNBH-RMFSNUHRSA-N 444.532 0.431 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc4c(c2)CCNCC4)C3)c1 1798695050 RWYSDIDADJIPPQ-RMFSNUHRSA-N 434.500 0.487 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1799303776 WZCGYVQGEZLDRG-JLVBRIDZSA-N 427.461 0.442 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(O)c([N+](=O)[O-])c1 1799483129 IEKZDASZYXWVRO-COHUGYILSA-N 445.476 0.975 30 20 ICED COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)cc(OC)c2)C3)CC1 1800556625 MCZFBLYSTGSDKJ-ALXJQNPVSA-N 427.457 0.723 30 20 ICED 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)CC2)C3)C1 1801052251 PVBWKHIGLLPUKO-JEZSTIGHSA-N 448.520 0.252 30 20 ICED CSC[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 1801943518 CAEQVRATSQILLC-FQLMCAECSA-N 426.539 0.746 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1802476300 HBIYPRHBGQUCBY-SAJDBWTASA-N 436.472 0.755 30 20 ICED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1804092982 XWFBSXJGIGNTAD-WMZHIEFXSA-N 445.479 0.691 30 20 ICED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1808691560 SGVZJIPGCQIHJY-ZHALLVOQSA-N 430.505 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1829770360 LHVLRRZEXQUEAJ-QEVIJRNUSA-N 448.907 0.663 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1830462791 NUTFXRJROCJHGI-XXBNENTESA-N 440.500 0.083 30 20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1830742665 KEMOUFAKVNJWSQ-BXTJHSDWSA-N 445.582 0.922 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166876 SDDBMGIGPNJYCM-WBVHZDCISA-N 438.525 0.950 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1831418633 GBHOFOXYSVBEHF-XMSQKQJNSA-N 437.537 0.437 30 20 ICED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831471331 QOYXLSVMCYZATQ-HSZRJFAPSA-N 427.501 0.409 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1832452993 NJPJFIVDLDAOES-LJQANCHMSA-N 425.507 0.810 30 20 ICED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1833231194 RCTOQXRBRYVWTK-SGSXCFNPSA-N 445.501 0.386 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256687 PUILXHVWUBIHJC-NRFANRHFSA-N 433.530 0.912 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705223 DEFVSLWOVVJQSY-WZONZLPQSA-N 430.501 0.899 30 20 ICED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cccc1=O 1835097009 OHHRRHBWPCYYNG-DEOSSOPVSA-N 435.480 0.507 30 20 ICED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835341347 XUYUFECAGWUOPG-NRFANRHFSA-N 427.461 0.414 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc4ncccn4n2)CCO3)cc1 1836873201 YPONEVYPNRXBIE-QHCPKHFHSA-N 446.467 0.985 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837164298 CVCPTDQZKKJOSL-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837213956 SKGCGIYAGCIHQO-HGHGUNKESA-N 426.510 0.622 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837273359 UTUCLAYOHWXHBP-IERDGZPVSA-N 432.525 0.544 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1837305842 KQBWHIHOEJRMPH-URXFXBBRSA-N 448.608 0.849 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1837393153 LWOWJLYCWKPNDS-HTAPYJJXSA-N 439.553 0.322 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440515 LXTRIOKIVFVZPR-MWLMUJSGSA-N 436.553 0.897 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837490579 HPOUAJUAEAXSQS-AUSIDOKSSA-N 432.517 0.834 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncon2)CCO3)ccc1F 1838320018 BKGBSUMSCKMYIZ-HXUWFJFHSA-N 429.408 0.393 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1C 1838835052 HQTLRSDZZBFVLU-MGPUTAFESA-N 437.497 0.300 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CC45CCCN4CCC5)CCO3)C2)c1 1839118067 QXXKHUYWPRKUSU-QHCPKHFHSA-N 441.532 0.975 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC(C)C)C2)C1 1839174996 HUHIVVNKHSFLNP-UTKZUKDTSA-N 426.510 0.766 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839541355 AZFGKLWRRGCYTL-HXOBKFHXSA-N 438.484 0.738 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839623380 WCMBSRLGPPFORT-FQEVSTJZSA-N 430.440 0.488 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1)C(F)(F)F 1839893238 PDSGSNHKNIPTBO-GOSISDBHSA-N 439.394 0.918 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c1 1840014594 OQFZASKFTMOJAT-UGKGYDQZSA-N 429.473 0.816 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902386 CJNHCMWALFFZQH-FDDCHVKYSA-N 427.501 0.675 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1845188483 YAJBHMASYPKFLV-UHFFFAOYSA-N 441.550 0.371 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)c(C#N)c1 1847786285 NNCPTXLNQWTAPW-KKXDTOCCSA-N 436.509 0.769 30 20 ICED COCCN1C[C@H](C(=O)N=[S@]2(=O)CCCN(C(=O)c3ccc(C#N)nc3)CC2)CC1=O 2088596051 ASEMVZWIENLQDT-MKTHODDLSA-N 447.517 0.289 30 20 ICED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n1 437328937 NZLFVZDUDFDKOV-UHFFFAOYSA-N 447.455 1.394 30 20 ICED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 442242449 NZNJBKDXQJCLDD-KRWDZBQOSA-N 440.504 0.938 30 20 ICED COc1cc2c(cc1NC(=O)C(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)NC(=O)CC2 467572839 QVIOSVYZSJZFRB-CYBMUJFWSA-N 449.471 0.917 30 20 ICED COC(=O)CN(CC#N)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 471155574 BPJLWSGIHFCQNZ-UHFFFAOYSA-N 434.518 0.749 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCS(=O)(=O)N3CCSCC3)C2)n1 471945684 XUVHZVCLYJVALS-KRWDZBQOSA-N 437.591 0.973 30 20 ICED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C#N)cs2)c1=O 481974324 BUNONYDPDHKWIR-UHFFFAOYSA-N 439.566 0.696 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 498322406 JBZLBFUWCUONFK-UHFFFAOYSA-N 429.296 0.753 30 20 ICED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507387253 SBZMRFPMYBPPBX-CYBMUJFWSA-N 435.506 0.506 30 20 ICED CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508318986 ORSCLULZHXLDKM-ZDUSSCGKSA-N 433.494 0.123 30 20 ICED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508482047 VYECNIVUUUWQMM-OAHLLOKOSA-N 440.526 0.828 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2O1 516033981 OLCAYBKGTCRCFO-SFHVURJKSA-N 435.440 0.569 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 521222889 JMRUXZQEUBHKHE-UHFFFAOYSA-N 430.490 0.731 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O 521531003 QAXPTAKRZOFNSY-UHFFFAOYSA-N 425.510 0.837 30 20 ICED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545493418 XSTXNIDXGCAZOT-UHFFFAOYSA-N 427.486 0.785 30 20 ICED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 548617100 HIODBHWIONLTMA-HNNXBMFYSA-N 444.534 0.608 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 551159139 ZLDCEWOCGHLIEI-IBGZPJMESA-N 439.520 0.444 30 20 ICED CCOCCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1 554199601 MUGIAIWTYXMPLV-AZUAARDMSA-N 442.564 0.855 30 20 ICED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 562528893 ZBXRDFFSPHBVDH-AWEZNQCLSA-N 432.296 0.473 30 20 ICED CS(=O)(=O)c1ccc(F)c(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 562576387 BWWPXPQEBRRUNA-UHFFFAOYSA-N 425.463 0.696 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)C1=O 563238901 FOPIXUZOAQPFRN-UXHICEINSA-N 428.533 0.730 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)CC1 573033639 NOLRHRNQTNAKSP-KDURUIRLSA-N 433.597 0.402 30 20 ICED CN(C)c1nc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 588322778 MZXQGUNPFPTGHM-MRXNPFEDSA-N 426.502 0.614 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2=O)cc1 588869839 OLUGLVMEFNAFBM-OTWHNJEPSA-N 426.473 0.182 30 20 ICED CCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 603446497 YBMZPMRKWARGMB-MRXNPFEDSA-N 427.548 0.995 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 609112572 LILZOQSWJZCGON-FQEVSTJZSA-N 446.577 0.163 30 20 ICED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732441696 OGBRZZLVYSVLMP-GMQRBVGNSA-N 426.477 0.067 30 20 ICED C[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC(=O)NC1CC1 733832312 IHLDVJBGESQJCA-ABAIWWIYSA-N 427.417 0.683 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 747081220 WZNVQULPXHOKCM-UHFFFAOYSA-N 435.452 0.939 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 758327532 WLTVQNAYSJHXRH-CMPLNLGQSA-N 429.524 0.954 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 763037892 DAXALNDCALSFRU-UHFFFAOYSA-N 447.542 0.451 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCS2(=O)=O)cc1 763758204 KHFKMGJPYLJFSK-UHFFFAOYSA-N 448.526 0.581 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 766053252 RWKOBNFPGMZGBX-LLVKDONJSA-N 427.398 0.789 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C#N)c(Cl)c3)c2=O)cn1 772302075 OREVBGMSQUUIKD-UHFFFAOYSA-N 436.884 0.970 30 20 ICED CCCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 774096236 PXPKWSPWIBQQCO-MRXNPFEDSA-N 426.516 0.840 30 20 ICED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 774239011 FZNPISOXICIVDM-CHWSQXEVSA-N 427.479 0.078 30 20 ICED CCc1ccc(C(=O)NS(=O)(=O)CCCC#N)cc1S(=O)(=O)N1CCOCC1 776115665 PNTZLVLVOISJBT-UHFFFAOYSA-N 429.520 0.633 30 20 ICED CCOC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 781376154 UZPFEXVKNNCSJY-RDTXWAMCSA-N 437.518 0.980 30 20 ICED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 781601610 AKRJUKBJXMDNFA-UHFFFAOYSA-N 425.419 0.075 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 783350815 PHOGAXFFAAONSQ-UHFFFAOYSA-N 435.424 0.943 30 20 ICED C[C@@H](NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 783397904 VGGPINWKAFDMKG-CQSZACIVSA-N 440.431 0.964 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 787752748 AXRYSJMXTGMLAW-UHFFFAOYSA-N 438.463 0.995 30 20 ICED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(=O)(=O)N(C)C 794230536 GNVZNSQPIHVSMD-CQSZACIVSA-N 430.552 0.147 30 20 ICED CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 808169526 XAHYVCZAYLDZMC-JLTOFOAXSA-N 429.481 0.470 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 810380431 XMAMEDARNZRDMB-UHFFFAOYSA-N 449.393 0.995 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273977 PUJMEAPHCINIOF-UHFFFAOYSA-N 425.461 0.257 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 912684872 INCMDFSWFSZKLA-UHFFFAOYSA-N 442.453 0.474 30 20 ICED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 916891938 HMEUFUAPGIDLPU-LLVKDONJSA-N 432.296 0.784 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccn(CCS(C)(=O)=O)c3=O)CC2)o1 1117094520 XOUPHTDCEGMKQP-UHFFFAOYSA-N 433.490 0.916 30 20 ICED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c2ccccc21 1314898212 HMEUTAYEXDZPER-CQSZACIVSA-N 429.506 0.715 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1360602097 MGMLBIMZJTVGSC-VKJFTORMSA-N 443.549 0.299 30 20 ICED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1503255632 YVJWCYTYOYJUPE-INIZCTEOSA-N 437.547 0.875 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1516972618 KYDDERYHSQJOSV-MRXNPFEDSA-N 432.506 0.440 30 20 ICED CC(C)(C)OC(=O)N1CCOC2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 1671848307 RGGDPKRHKYKMRU-OAHLLOKOSA-N 430.527 0.557 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1692787882 YJIKXTAFWMSKOK-RHSMWYFYSA-N 443.549 0.441 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1696876555 PHCPTPBEDAPBGO-OAQYLSRUSA-N 444.561 0.897 30 20 ICED Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1748010339 QSPRCNHVIXCNNS-SFHVURJKSA-N 433.538 0.748 30 20 ICED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1760367165 NYFGTMXHXDLTNH-CYBMUJFWSA-N 426.934 0.757 30 20 ICED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760820665 RSIMLFWBSLNTTN-HNNXBMFYSA-N 426.543 0.512 30 20 ICED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2)C1 1770351388 SRLQGTYWZBFVAI-IRXDYDNUSA-N 432.506 0.388 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778850001 HXLXVSSMTLBEAF-WOIUINJBSA-N 437.585 0.549 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105413 KCAVHMMATZGQFV-RVNBFGHRSA-N 432.477 0.567 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781103244 LQHAYUNUYWPMOI-YLJYHZDGSA-N 437.493 0.869 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1781269743 KIKVVHSSGGNXRT-BSRJHKFKSA-N 447.532 0.727 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493317 WTYWYVSSHNIMAF-WHSLLNHNSA-N 432.477 0.113 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966530 JBGGVSDNLQHKSC-SFTDATJTSA-N 433.436 0.757 30 20 ICED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3COCCC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783452569 NGXNUXJDBXDCLN-GAJHUEQPSA-N 447.532 0.723 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389526 NDJVFUXVNNJSHR-FWMUBMEISA-N 438.510 0.256 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804701 FUCAQTKKRHYGLG-KKUMJFAQSA-N 425.432 0.493 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1785364889 KUCQOKSNSQDAAX-FQEVSTJZSA-N 438.550 0.182 30 20 ICED NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785519873 ILASSHARZDESEI-RJYGJTLRSA-N 439.472 0.486 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787265139 ATHGGGVWAREZPG-XPYUAMARSA-N 440.500 0.598 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788572940 UOFNTDBTCIOJEM-LUKYLMHMSA-N 427.505 0.896 30 20 ICED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788600882 HCTIPNMXDQVLNO-KDKRTOAMSA-N 426.583 0.597 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788630016 MJAWKDDUXNDLTF-UFYCRDLUSA-N 447.576 0.827 30 20 ICED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)c1ccccc1 1789762729 QEKHCFWMWLVMRX-CDXCJDFSSA-N 439.556 0.886 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790226307 YKNPLSVWZNRMNP-YMFLFHJQSA-N 448.451 0.355 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749113 HQXQMLGOYSHEAQ-QAETUUGQSA-N 442.534 0.053 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C(=O)OC)(C3)C4)[C@H]2C1 1791017203 LTVTUUPDZYGWIK-SSSVDGOBSA-N 434.533 0.883 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1791264374 IYBDLPQURWSBPX-WUEZWNDSSA-N 447.601 0.920 30 20 ICED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145494 MCRUZHGKWLRHHE-HYJFEMIMSA-N 442.516 0.831 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1792489427 WPCBYQIZJJRWKX-PFIYSYJPSA-N 427.457 0.477 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)[C@@H](O)C1 1792519574 UQYNUQXQXZEQGF-QEOTZNIISA-N 449.504 0.331 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc([N+](=O)[O-])ccc1F 1793807362 YWRAYPRKCKWVDS-BCEDRHLLSA-N 433.436 0.904 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc2ncnn2c1 1797559965 MQVAVQFOUBNPNN-ZMFDXNJKSA-N 442.476 0.462 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797710005 DTTKLVVVXXUOGO-VIYGXFRKSA-N 427.545 0.864 30 20 ICED COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1F 1797741073 YJNWGJJXGUVPNQ-GISGIKCKSA-N 433.484 0.904 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797742183 IGTOYCYCBNAHTR-XVAHYZHKSA-N 441.492 0.110 30 20 ICED Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)C/N=C/c1ccco1)CCC2 1797839721 ZXZQZDXICHOVNN-NVTYBUQISA-N 425.489 0.824 30 20 ICED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1800992132 NFAYTNPIKFMQTI-SFNKJDCFSA-N 436.553 0.622 30 20 ICED O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801118102 HEFWISCKJSQGQD-FLSMYAAKSA-N 443.481 0.002 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1803545060 OMJUMQPCHTZAAB-LZNRXBQRSA-N 449.511 0.951 30 20 ICED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@@H]2c2cccnc2)C1 1804193612 YGAHQRVVJAPXFH-RXVVDRJESA-N 446.573 0.784 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)OC)C2 1804376687 PXNZMXLFTHNBFD-QKPAOTATSA-N 436.509 0.897 30 20 ICED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1806675308 WYTDRVSWONNTLY-UHFFFAOYSA-N 443.635 0.867 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CCc3nc(N)n[nH]3)CC2)C1 1809774855 DMZIUZAIRBSMTH-UHFFFAOYSA-N 430.557 0.833 30 20 ICED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284573 PWHUYYRPOVMIFQ-PNYYXPLCSA-N 435.550 0.604 30 20 ICED O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)C(=O)N1 1815668305 REMUKWITZBNIQG-MNPVBQOISA-N 441.448 0.666 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@H]3CCc4nc(NC(=O)Cn5cnnn5)sc4C3)c2c1 1815686954 NDVPEPGAUBONMA-NSHDSACASA-N 448.472 0.804 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232113 MOWSVSPSAZNVBX-OCCSQVGLSA-N 427.398 0.165 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988872 ZSKLIXAHWWZOEB-MPSAOAQFSA-N 426.495 0.593 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1823749437 PAMKGHIQVFFSGY-OXUXSNCKSA-N 430.549 0.991 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCN2C(=O)OCc1ccccc1 1829228319 RNOPIIGZRLZBDT-VGSWGCGISA-N 426.473 0.206 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1830057321 BVRRIKSWGJRZMM-HXUWFJFHSA-N 438.431 0.863 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1831387038 KYSBKPWIUUHMQY-VGSWGCGISA-N 433.480 0.648 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833688170 GVLLMBSQZNJGPG-MRXNPFEDSA-N 431.537 0.205 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833689570 PTOHKQWOHDROSB-INIZCTEOSA-N 448.568 0.967 30 20 ICED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075779 KOLMSIPABNOSKT-UHFFFAOYSA-N 435.550 0.992 30 20 ICED C[C@@H](Nc1ccccn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835851103 OOAXYLLHCCPXFC-MRXNPFEDSA-N 427.505 0.542 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837090989 SSWWXUXYSPTYEM-DEOSSOPVSA-N 434.496 0.951 30 20 ICED N=C(N)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1837843810 QAIZCYQDLBIMSE-UHFFFAOYSA-N 433.553 0.167 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(CC)n1)CCO2 1838131582 INVJSHZWLMHZJK-RMUOZIPVSA-N 432.477 0.165 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1838276472 YBKZZHKTJLXPDT-QFIPXVFZSA-N 448.520 0.562 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908890 ZMSHTGJTDNUHBH-VXKWHMMOSA-N 445.472 0.244 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1839224839 PXHYAKVGGKZSDF-YCRPNKLZSA-N 444.492 0.829 30 20 ICED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nc1 1839225831 VQFASHPPZANWEO-IERDGZPVSA-N 434.493 0.961 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1839226225 JGOCICJCKXTNTK-ZHRRBRCNSA-N 446.504 0.656 30 20 ICED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(O)c1OC 1839376795 SACOMYGONXGVBD-QFIPXVFZSA-N 445.472 0.783 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618694 SQAGEOACBJXPAX-JOCHJYFZSA-N 426.448 0.957 30 20 ICED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667971 SOILGZBDJIJUTN-IUKKYPGJSA-N 444.532 0.869 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2ccnn2)CCO3)c1 1839710585 NMTVXZCNYLLCOE-VGSWGCGISA-N 438.488 0.789 30 20 ICED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840202038 WAPFQQJGPCSEHD-INIZCTEOSA-N 439.456 0.041 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840481097 CGZVEYHRGKBHIX-QFIPXVFZSA-N 433.505 0.647 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594192 LSXCCZAAPLALAD-VQHJOYQZSA-N 439.509 0.277 30 20 ICED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C2 1845960801 OMZMJSMQNUERES-CQSZACIVSA-N 427.523 0.151 30 20 ICED N#Cc1ccc(OCCOn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 23658543 MNVJFFVHZBMUIW-UHFFFAOYSA-N 429.458 0.831 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409536462 OHMAHLKFUIAASC-PJPHBNEVSA-N 434.588 0.149 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCO1 410118637 BBYYYWOVFVZCKI-QGZVFWFLSA-N 428.536 0.040 30 20 ICED Cc1cc(N(CCC#N)C(=O)CN2CCN(CCS(N)(=O)=O)CC2)ccc1Cl 440332470 APEADNMMPDFAMC-UHFFFAOYSA-N 427.958 0.801 30 20 ICED CC(C)[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCOCC1 441437125 GXFPGTIJMXUDHK-MRXNPFEDSA-N 425.449 0.077 30 20 ICED Cc1cccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1C#N 443760693 RHRWZCLJUHIPMZ-UHFFFAOYSA-N 447.439 0.783 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 460132040 RBKDCUXWDLNMDT-HNNXBMFYSA-N 431.536 0.506 30 20 ICED COC(=O)Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 462263924 RPFGPZBNTCGFHH-UHFFFAOYSA-N 431.474 0.967 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NCc1ccccc1 465288988 KSWQAZCYPSISFY-INIZCTEOSA-N 443.533 0.688 30 20 ICED COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472163576 QIAGFTJABZMYPN-UHFFFAOYSA-N 439.520 0.828 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)cn2)c1=O 474336049 GSUJWOLQLGNCKE-UHFFFAOYSA-N 426.498 0.348 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC)c2=O)n1 477019599 VVIUKBLODLXDIH-UHFFFAOYSA-N 430.555 0.802 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 481276915 PPLABENUIWPWSS-CRAIPNDOSA-N 435.550 0.284 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 497695565 HEUOXTWWPHQRNB-FQEVSTJZSA-N 437.548 0.967 30 20 ICED N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cn1 509538817 HNXPHHWJEDIYSG-UHFFFAOYSA-N 428.430 0.634 30 20 ICED N#Cc1c(CCCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)nn(-c2ccccc2)c1N 511462721 MJVWYVPVAHHDBC-HNNXBMFYSA-N 432.506 0.372 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 511764535 YNFNQOBVZGMTBU-UHFFFAOYSA-N 436.472 0.887 30 20 ICED N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCN1Cc1ccccc1 511776848 OUAZKKGKWJVEQG-GOSISDBHSA-N 443.529 0.886 30 20 ICED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 524889940 RZSUVZHCYYZMIW-UHFFFAOYSA-N 438.487 0.254 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 542300117 RKPZPFNILVBUDP-NRFANRHFSA-N 448.545 0.846 30 20 ICED N#Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C[C@H]2CCOC2)c1 549658890 DOAAMDRMIQLPSV-QGZVFWFLSA-N 449.515 0.780 30 20 ICED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)CC2=O)cn1 550900297 LFKYSHKDFWTLTO-UHFFFAOYSA-N 431.250 0.868 30 20 ICED N#Cc1ncn(CCNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 553803222 YALHWWPHGSCKFN-MRXNPFEDSA-N 429.456 0.306 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CC1 557177474 UQOLBASTGNGTAR-NRFANRHFSA-N 441.576 0.114 30 20 ICED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)cc1 558231569 LNOSAUNASOGVIG-YADHBBJMSA-N 439.560 0.962 30 20 ICED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 559648836 DFQAYUZVIUTYHX-UHFFFAOYSA-N 436.310 0.928 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 580477415 MRUHDTMTNVYZTD-JLJPHGGASA-N 442.563 0.449 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498180 VSONODWZQWPAOL-CTNGQTDRSA-N 443.523 0.715 30 20 ICED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 609081745 ZXVABMRGPLDRTK-UHFFFAOYSA-N 437.403 0.695 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1C#N 615989600 XZRBVMKERLTWRX-GUYCJALGSA-N 425.497 0.359 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(=O)N(C)C 616254673 IGMSREBOJQUTDX-UHFFFAOYSA-N 438.962 0.741 30 20 ICED CCCCN1C(=S)N(CN(C)CC#N)[C@H]2C=C(S(=O)(=O)N3CCOCC3)C=C[C@H]21 725772035 NONGZEYBHFUBOJ-MSOLQXFVSA-N 439.607 0.955 30 20 ICED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 727011824 CPGWTCGUZNDSAD-HNNXBMFYSA-N 438.440 0.797 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1 727867824 BCWHJHTUJIVTNT-SILNSSARSA-N 439.519 0.738 30 20 ICED Cn1c(S)nnc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731438556 KCYAMBKXYAUCEE-UHFFFAOYSA-N 434.547 0.735 30 20 ICED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)N[C@@](C)(C#N)C(C)C 731811402 TXJAKHCLSGSYLU-SFHVURJKSA-N 432.462 0.408 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c1 732178495 NZWOQWWQAVGRLR-UHFFFAOYSA-N 435.527 0.924 30 20 ICED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732907900 FZPNIBNMYWAJKP-INIZCTEOSA-N 448.526 0.939 30 20 ICED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)C[C@H]3CCCCO3)C2=O)cc1 733858550 ZPLZDZRVRONJKK-CVEARBPZSA-N 434.474 0.778 30 20 ICED C[C@H](CC(=O)NCC1CCN(CCN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742672621 RZFAYAFZMLVROZ-MRXNPFEDSA-N 435.594 0.894 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1 743423615 LKOQZBBXCDIXKU-RELWKKBWSA-N 433.534 0.745 30 20 ICED COC[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 743928186 MFTMBVHWVJFIBZ-OVFHLDOESA-N 438.506 0.312 30 20 ICED CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 747993937 QJWQYPVBWHRHQY-PTGBLXJZSA-N 449.533 0.565 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 750957456 COWRXYVORMMONT-MRXNPFEDSA-N 432.477 0.884 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 756658363 JEAVPLOJIZOHGP-GJZGRUSLSA-N 447.496 0.622 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 757496761 SAVVDTFNPUFIGD-UHFFFAOYSA-N 427.910 0.572 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758066077 AQBTYQZBWWIEAX-UHFFFAOYSA-N 439.493 0.793 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(=O)N(C)C 760376767 ZOBDWDVSGRDCPB-UHFFFAOYSA-N 445.932 0.160 30 20 ICED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(OCC#N)c3)cn2)C[C@H](C)O1 762538100 SEPONYCPIGGDSV-GJZGRUSLSA-N 440.460 0.998 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cn3cnc(C#N)n3)C2)CC1 769144425 VAZNTMAYEAAWSP-OAHLLOKOSA-N 431.497 0.468 30 20 ICED COc1cc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F 771892073 XIKIUOBWLITWAX-UHFFFAOYSA-N 432.405 0.397 30 20 ICED Cc1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1-c1cccc(C#N)c1 780198560 OYNZPHFXPBMVBE-UHFFFAOYSA-N 433.428 0.657 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250766 YRLCBYFAUSEJNH-NSHDSACASA-N 432.483 0.167 30 20 ICED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 787773553 ASPBCKHHGUHJQC-UHFFFAOYSA-N 442.501 0.338 30 20 ICED C#CCNc1nc(N[C@H]2CCc3nc(C)nn3C2)nc(N[C@H]2CCc3nc(C)nn3C2)n1 804424820 OLAJXGYWEPXEFX-GJZGRUSLSA-N 434.512 0.570 30 20 ICED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 810475082 FTUZPUIZKOLXRC-UHFFFAOYSA-N 426.470 0.117 30 20 ICED C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813979929 JTHHHCQIKNCJGK-CWTRNNRKSA-N 433.490 0.895 30 20 ICED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 814252114 FOHDQQVJYNIWNV-UHFFFAOYSA-N 427.530 0.774 30 20 ICED O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@@H]1CCCN(O)C1=O 816759288 JSSAIIYNRDVSSK-UYAOXDASSA-N 436.468 0.996 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCCCC1 914651864 CLQCFAMDEZHDOQ-ZNMIVQPWSA-N 425.507 0.296 30 20 ICED Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc12 1318832398 JHRCYZWLIIXYKS-KLIGIEKFSA-N 430.490 0.704 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)N2CCOCC2)CC1 1324254372 AVTUOTSVRSHVIO-UHFFFAOYSA-N 449.533 0.102 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1324928789 QFPDDDJIYNCXKK-QAPCUYQASA-N 426.516 0.064 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1517126018 VSRFZUHHURDSMY-INIZCTEOSA-N 431.522 0.629 30 20 ICED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1518916304 LYYMIKSONWRDPM-MAUKXSAKSA-N 448.549 0.948 30 20 ICED COCCN1C[C@H](Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1555572433 YSVBJOOEFANDJX-NVXWUHKLSA-N 439.524 0.458 30 20 ICED COc1ccc(N2C[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1632494183 WYPAQAQIYPKANU-OAHLLOKOSA-N 428.470 0.767 30 20 ICED COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1649682652 KNIIXBBAIXAKNC-SFHVURJKSA-N 438.485 0.857 30 20 ICED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1670589265 UISNJFBQFQZXGK-QGZVFWFLSA-N 431.536 0.570 30 20 ICED CCc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1709017264 IZDVRRAFLZXSDF-MEBBXXQBSA-N 428.519 0.792 30 20 ICED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCN1CCCO 1726406453 QKALSQIUFHRYCB-AEFFLSMTSA-N 425.541 0.810 30 20 ICED C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1726778068 LDAQBHWPFLDOQX-YWZLYKJASA-N 447.517 0.503 30 20 ICED CCCNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1728195248 MPOBNCPFJSLNHR-CABCVRRESA-N 441.558 0.266 30 20 ICED COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062766 JMPWYYOJWCREGR-QHCPKHFHSA-N 444.532 0.672 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1780733759 DDJPMCBKYVUQIP-GSHUGGBRSA-N 435.521 0.536 30 20 ICED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783917655 SITPALNLOKOYRE-UFYCRDLUSA-N 447.557 0.905 30 20 ICED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C(F)(F)F 1784874155 AHGVQVNTKGOCPJ-IUVQAAGXSA-N 446.466 0.978 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3c(=O)oc4ccccc43)[C@H]2C1 1785194876 BKKPEYWEUXAJGE-MPGHIAIKSA-N 441.440 0.052 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1786857652 WFGRFOJFFXCDAR-BZSNNMDCSA-N 437.610 0.297 30 20 ICED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)nn1 1786859074 ICAXDVOHJCTQSN-ZOBUZTSGSA-N 430.509 0.360 30 20 ICED CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@H]4CCCCO4)[C@H]3C2)o1 1788655354 DHXDXFDLHZNDPG-VVGRQVDHSA-N 449.508 0.863 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1788661290 JTMRPVJULDFOKY-MTQUCUCJSA-N 446.504 0.838 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccoc3C1)C2 1792484808 URUGHUBHBIAOMK-QIQGWFKISA-N 427.501 0.833 30 20 ICED CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1792606935 MPVRHQAIFOWAEE-KTCOPHPYSA-N 436.553 0.837 30 20 ICED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1792926008 TYGAGWSRWANXEY-IZZQQSIFSA-N 430.505 0.615 30 20 ICED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793472367 ZSBFZCNVJMPWHL-OPVJXMOQSA-N 433.549 0.437 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nnc(C)s1 1794103869 GNTYEVNELLYLMB-LMGQATCFSA-N 433.534 0.227 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815681 TXHAMQUQLCWBTC-SRLNNPCKSA-N 434.497 0.033 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)c(Cl)c1 1799752113 FNVNBXQZOKHRGG-YVWYUNDQSA-N 441.875 0.672 30 20 ICED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800128417 MTWLZYIRJJAEGU-CWPLJXCYSA-N 433.578 0.841 30 20 ICED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2)C(F)(F)F 1800550544 ZXJHJEHOOWVKNY-WZQZWDJBSA-N 434.440 0.497 30 20 ICED N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1Br 1800779446 DZEWYKGZPGNQRX-ZSBFGKGUSA-N 446.257 0.612 30 20 ICED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 1800996717 XIYCRTIBAJLMAJ-ALXJQNPVSA-N 437.537 0.914 30 20 ICED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C3)N(C(=O)OC(C)(C)C)C1 1802512720 ZMMIHGOKTHWURM-QSMSVPEVSA-N 448.564 0.913 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803563403 SFKBWIHQQUEOFO-VKZRIFJHSA-N 429.477 0.277 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1807153639 YQFKGWNQAXIDGQ-HKUYNNGSSA-N 449.577 0.804 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810278762 LAHZALZKQBQGPO-QECDCCOMSA-N 428.493 0.668 30 20 ICED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1830462789 NUTFXRJROCJHGI-CVDCTZTESA-N 440.500 0.083 30 20 ICED O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216633 WBJBJBZPRNWRHF-NAJSETDRSA-N 435.480 0.892 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831493783 VSFMJFZAXWVUJD-DBXWQHBBSA-N 442.626 0.033 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832179289 YTPKRWPRYSAGNE-LIMHQNJXSA-N 437.390 0.202 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(C)=O)[nH]n3)CC2)CC1 1833463387 IUMQUQHJMKLRDZ-MRXNPFEDSA-N 429.521 0.836 30 20 ICED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1833908657 PCDYHUQZWFRWHP-GAMXZPBPSA-N 434.493 0.624 30 20 ICED C/C(=C/C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1)C(=O)O 1834715652 GFWAYKZQDKAHBN-NXVVXOECSA-N 433.553 0.871 30 20 ICED C[C@H](Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834721779 RRJRKXUOEONMMG-INIZCTEOSA-N 427.505 0.542 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099375 HYECYHGQZUALHS-FDDCHVKYSA-N 427.501 0.361 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(C)cc3)CCO2)C1 1835158379 XQJOCCDRURXPGJ-CVDCTZTESA-N 430.501 0.869 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H]4COc5ccccc5O4)C3)C2)CC1 1835338543 KYUJMDDKDXOOGJ-GAJHUEQPSA-N 441.484 0.977 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1835357388 WIQAKPOGEYDEQI-HSZRJFAPSA-N 442.516 0.897 30 20 ICED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444951 FKBHFLYZPHEWAN-NFBKMPQASA-N 435.565 0.934 30 20 ICED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CS[C@H]3CCCCO3)CC2)CC1 1835759075 CYYPGLNRRUWXGC-NRFANRHFSA-N 437.562 0.906 30 20 ICED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836171863 YLYNAQMKCTYWQG-UHFFFAOYSA-N 445.593 0.556 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837397252 NYGHTFXMZVHDEJ-UGSOOPFHSA-N 434.436 0.126 30 20 ICED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563698 VNJZHMQAUTZEEG-PFDQHCLKSA-N 446.460 0.603 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837882756 LPNYBWOEVLCSJI-QAPCUYQASA-N 439.557 0.379 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2)c1cccs1 1838104986 AJSPXKCVNHOIBI-YADGQWAMSA-N 447.469 0.951 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(OC3CCOCC3)n1)CCO2 1838356002 YFWCKFMFJNXJEX-JOCHJYFZSA-N 429.473 0.343 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1Cl 1838596333 WSZPETKRCHQEIZ-UWJYYQICSA-N 430.892 0.810 30 20 ICED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)(C1)C2 1838740716 QWKUZVZSEORSFB-LZBANZJXSA-N 442.472 0.300 30 20 ICED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)o1 1838906206 YMVDIOZPNBFEDA-NRFANRHFSA-N 425.445 0.562 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1839173743 JAVIFODZQUGFFU-QFIPXVFZSA-N 433.505 0.913 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1839225567 NFYWDMHKGFECDG-KKSFZXQISA-N 444.492 0.600 30 20 ICED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420007 HUWPLTUJEWMCMF-NRFANRHFSA-N 427.436 0.815 30 20 ICED CN(C)c1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1840315710 KJYQIFQEJLODJB-QHCPKHFHSA-N 443.500 0.230 30 20 ICED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1840843755 JDACUGZKKOJAQI-JOCHJYFZSA-N 429.473 0.834 30 20 ICED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846371352 OLCHNZBJULWKKT-OLZOCXBDSA-N 429.539 0.965 30 20 ICED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846649153 VCCZHWNTYCIINB-PDSXEYIOSA-N 445.524 0.907 30 20 ICED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)cc1C#N 1846877921 JBYWBVYOLMBWLI-QGZVFWFLSA-N 427.505 0.755 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(Br)cnn1C 1847262294 SPVLXDOZQNIMDM-MRYXHSKJSA-N 436.310 0.856 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 16634948 GKQYEYDNAOAHQQ-UHFFFAOYSA-N 441.513 0.891 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 57948762 OWLZFOQRBSMSQA-OAQYLSRUSA-N 432.546 0.865 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 303677189 YCGQGSRKQGGZFU-LJQANCHMSA-N 429.540 0.620 30 20 ICED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)COc1ccccc1Br 409509588 JXXMLBKSEOBRHS-ZDUSSCGKSA-N 436.328 0.885 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 410382000 KULSHGDSMOWQFY-UHFFFAOYSA-N 435.527 0.709 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1S(=O)(=O)NCC#N 434376686 GWZIJTAFFFBOJH-MRXNPFEDSA-N 427.486 0.836 30 20 ICED CN(C)CCn1nnnc1SCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 444405841 CBPWWEYXZYVCQU-KRWDZBQOSA-N 432.529 0.875 30 20 ICED Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C2CC2)c1=O 447282791 KYEDRGKWOPLKEI-JTQLQIEISA-N 449.330 0.849 30 20 ICED COc1ccc(C#N)cc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 448169865 NCGQICVMTCFDQF-UHFFFAOYSA-N 429.458 0.961 30 20 ICED Cc1nsc(N2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)c1C#N 461194221 LAWWGWMCJSTETI-UHFFFAOYSA-N 438.521 0.721 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 461754378 IOYNLLILUGEHFK-CYBMUJFWSA-N 442.505 1.103 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)cc1 467809024 VLQDBIOKATUEBZ-UHFFFAOYSA-N 434.518 0.560 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)c1C#N 472892329 SBDASJOKJLTCIK-HNNXBMFYSA-N 426.481 0.121 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 480443280 JYXOKXVYKXNGOA-HUUCEWRRSA-N 433.534 0.036 30 20 ICED C=CCN(CC=C)C(=O)[C@@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 494522492 HWMSJQRRWOATCE-OAHLLOKOSA-N 435.506 0.470 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3nnnn3-c3ccccc3)CC2)c1C#N 502113248 CFVRJQTZWMJNIS-HNNXBMFYSA-N 448.491 0.102 30 20 ICED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508907761 OUWOJYNRMGLMOQ-BBWFWOEESA-N 440.570 0.444 30 20 ICED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 518956908 OJSWHMAYRBSXMR-KRWDZBQOSA-N 443.547 0.078 30 20 ICED COCCN(CC(=O)NC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 527384877 QXXVNOAVFCJRMQ-UHFFFAOYSA-N 426.477 0.595 30 20 ICED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 533220737 VDSOLKKTNGVOEO-GOSISDBHSA-N 429.458 0.999 30 20 ICED CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 535985598 RLZUTCHOEQGOSL-OALUTQOASA-N 445.589 0.948 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC=C 537740286 QEVPBHPGZSSWMN-UHFFFAOYSA-N 426.454 0.818 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)OCCCO4)CC2)c1C#N 552746792 LZHFDQNKFJECOW-UHFFFAOYSA-N 438.488 0.727 30 20 ICED CCN(C[C@@H](O)COc1ccc(CCOC)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 559139928 HREFQHULDXOSNX-IEBWSBKVSA-N 427.523 0.406 30 20 ICED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)CC1 560875976 VNVCGPOHJLEEOZ-UHFFFAOYSA-N 439.564 0.277 30 20 ICED CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 568911899 PLXRZQDAPFDTTI-HXUWFJFHSA-N 434.562 0.338 30 20 ICED COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 569656650 NINJOAAQVUXRMN-UHFFFAOYSA-N 446.470 1.353 30 20 ICED COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c1 588123957 PVKPZNRDSKEQSW-IBGZPJMESA-N 443.504 0.372 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCOC3)c2=O)s1 611001294 WMSOHHRCTVUDEY-AWEZNQCLSA-N 447.582 0.836 30 20 ICED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)c2)CC1 612268282 NCJOIOPGJOBDKI-HXUWFJFHSA-N 433.534 0.713 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 729256947 NXQJOTYHVPEKIS-UHFFFAOYSA-N 436.896 0.110 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)Cc2ccccc2)CC1 732761263 ANBOYHCARPRUPC-LJQANCHMSA-N 430.574 0.361 30 20 ICED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 733163106 FKTLGNJXXJOVKV-UHFFFAOYSA-N 433.530 0.636 30 20 ICED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 744031616 OKFZNEWSYAQNQQ-OAHLLOKOSA-N 443.437 0.678 30 20 ICED N#Cc1cccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 746593952 XWZQGCSJMCZTCP-UHFFFAOYSA-N 446.441 0.994 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)C2=O)cc1 753989701 HUFBZMPWTVBLBZ-IBGZPJMESA-N 429.440 0.995 30 20 ICED CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NCCSCc2ccccc2C#N)n1 754931203 JXFMJQNBJBHBJQ-UHFFFAOYSA-N 435.531 0.787 30 20 ICED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 755543876 DACGTNSEAHPFHF-GXTWGEPZSA-N 442.476 0.691 30 20 ICED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755552570 NQBAEXPXWYPGCA-DZGCQCFKSA-N 445.476 0.869 30 20 ICED COCc1nc2n(n1)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 758328516 RSYYAYDTDHQVFY-CYBMUJFWSA-N 432.506 0.374 30 20 ICED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)s1 758585142 PLGIVRRRTPBILA-UHFFFAOYSA-N 445.570 0.360 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccn(C)c2)c1=O 763460328 GZFGMUVYRMJXRG-UHFFFAOYSA-N 426.498 0.697 30 20 ICED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 765893618 JLTOBZGLMVXBCI-WPXJSCNMSA-N 449.533 0.469 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C1CC1 766052936 QKETWDZBESXZQE-UHFFFAOYSA-N 441.425 0.866 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 772328773 HNOIEDONDZNJGP-KRWDZBQOSA-N 439.541 0.901 30 20 ICED CCOC(=O)CON=C(C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1cc[nH]n1 772550544 XKPOMXCEICGCQX-LJQANCHMSA-N 428.405 0.192 30 20 ICED C[C@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC(=O)NC1 798774901 BAUINTKPIJEBAA-NRFANRHFSA-N 441.444 0.914 30 20 ICED CS(=O)(=O)c1ccc(OCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 805382512 DQPOESOKDMIIKO-UHFFFAOYSA-N 438.483 0.862 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cncc3C2)cc1 810461202 SMOPSHBMKISEOW-OQKWZONESA-N 430.490 0.677 30 20 ICED CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)ccc21 815474642 ZUSWXZKXNGOWOE-GFCCVEGCSA-N 436.371 0.378 30 20 ICED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CCO1 1299154542 GXPMOHXJWNYUSJ-GOSISDBHSA-N 436.476 0.646 30 20 ICED COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1301031430 WQXXJTWRABJCPK-RTBURBONSA-N 428.541 0.978 30 20 ICED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1301956563 KRVISAAVXDWIKD-AWEZNQCLSA-N 433.538 0.879 30 20 ICED CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1306898111 PUCDVMNZAAPXSL-ZDUSSCGKSA-N 431.474 0.641 30 20 ICED Cc1nc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n[nH]1 1308035681 MQOIOUGRSQZIGW-LJQANCHMSA-N 426.500 0.783 30 20 ICED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1314934959 QEBMSXFBGYAHJJ-CYBMUJFWSA-N 425.559 0.791 30 20 ICED CNS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1315073699 UTBRMIQDCOBJNK-KRWDZBQOSA-N 434.522 0.350 30 20 ICED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1503763295 PQJVGNBDWDBYCI-UHFFFAOYSA-N 431.522 0.328 30 20 ICED CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1509697952 SOWXUXYTKJCMQM-QGZVFWFLSA-N 425.493 0.954 30 20 ICED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1517744093 YXFQAQVUWRLDHT-SUMWQHHRSA-N 430.506 0.478 30 20 ICED CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1712685497 ITHIVYTZXPJDEU-WFASDCNBSA-N 431.515 0.199 30 20 ICED Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 1724968602 QISJZGDZTABTEG-NVXWUHKLSA-N 447.569 0.270 30 20 ICED Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1724968604 QISJZGDZTABTEG-WBVHZDCISA-N 447.569 0.270 30 20 ICED COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1729779781 XUSVMXSSWGYEAE-IIBYNOLFSA-N 427.461 0.879 30 20 ICED CS(=O)(=O)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1731005354 QAOGDWZQEPTMKW-YOEHRIQHSA-N 433.490 0.954 30 20 ICED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1780020027 NYGLEUYEKRABNI-VGOFRKELSA-N 425.489 0.872 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780364130 IPLCPLVGWRGDIN-QGZVFWFLSA-N 445.398 0.776 30 20 ICED Cc1c(Br)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1780367924 CKSNSLXQUXCCOU-KRWDZBQOSA-N 439.266 0.023 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(N)=O)C1 1780988609 MTGPMANKJHORTI-XKDCRVNJSA-N 427.501 0.951 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)n1cnnn1 1782598185 UISVFINYOQEKAS-RZQQEMMASA-N 432.529 0.030 30 20 ICED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1783349437 CFBZPSMJGJGALB-GSHUGGBRSA-N 435.521 0.769 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C[C@@H]21 1783528569 XECORINXXQEOSN-DOGXEPDQSA-N 447.532 0.414 30 20 ICED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1784200367 CXCSMEVZPCLLLO-JOCHJYFZSA-N 427.505 0.654 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786857857 BWFKBLGHYWEVFB-XIRDDKMYSA-N 447.496 0.053 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082441 ZOLIHBMXZYOECY-LAQRGFTBSA-N 433.505 0.562 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CNC3=O)CCC2)cc1 1788028945 TYKUNPAHFXYJNN-UHFFFAOYSA-N 440.504 0.954 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 1788571559 NGIIXDNMZXNWDA-QAETUUGQSA-N 432.521 0.553 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1789890284 LAFQAALRKAWGLO-QAETUUGQSA-N 444.550 0.156 30 20 ICED CC#C[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)c1ccc(O)cc1 1789918295 CWRDLOMHZLBJEM-LGGPRVQUSA-N 444.528 0.878 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1789952475 INLMVVZHQNKURC-NRKLIOEPSA-N 431.555 0.448 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1792490923 TZVNOHOKEKWPBI-XTLOUAGDSA-N 444.444 0.362 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)ccc1Br 1792690380 SMMMHJBKBQFPKR-YQYWCBKUSA-N 439.237 0.879 30 20 ICED O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795837380 UBXHUXWPTSRYHO-ARVYWVPRSA-N 429.502 0.870 30 20 ICED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)nn1C 1797781073 OYWPXUYJSZOROC-OPMZPASUSA-N 428.533 0.559 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798767298 NKMHLPBEGFYWOZ-YALNPMBYSA-N 433.505 0.875 30 20 ICED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749289 NQZVGEXWNSPLSP-FVCICTRLSA-N 425.894 0.459 30 20 ICED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N(C)C(=O)OC(C)(C)C)nn1C)C2 1800451828 HGPFMCYJWKGMTJ-ZSBFGKGUSA-N 431.493 0.628 30 20 ICED CC(C)(C)C(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800778945 WYSGLHXDYNWWCJ-CWPLJXCYSA-N 441.484 0.962 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)N(C)C)C3)c1 1801761712 LICGILKMNQNPFN-DEYWJSPQSA-N 427.505 0.788 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806909106 NRMSSXRBXBLECH-DENIHFKCSA-N 444.532 0.929 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1808845802 OXXFZJGBWGXILR-NOCIGQNYSA-N 432.525 0.481 30 20 ICED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815244263 ZINXGKNTBUGFRY-IUODEOHRSA-N 445.509 0.796 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc(C)c(O)nc2=O)n[nH]1 1823365892 XDMWFNWBJCPAOY-ZBFHGGJFSA-N 442.476 0.711 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824673939 VIIZAEFNBUNSNC-QWRGUYRKSA-N 439.494 0.399 30 20 ICED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc(O)n3c1CCCC3)CC2 1825666409 ACKJZXGWFPRALI-JTQLQIEISA-N 429.458 0.695 30 20 ICED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)c1ccccc1 1831143672 NNYADSNQWGRWQA-JOCHJYFZSA-N 428.489 0.519 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1831401709 FNETVVMFMYQBIA-XMSQKQJNSA-N 438.521 0.605 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1831418893 HTCRWVXZDFYKGF-VGSWGCGISA-N 432.521 0.809 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1831424280 GTEOYLSKFPJVBX-HMFYCAOWSA-N 432.521 0.930 30 20 ICED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831872462 KEIYQGFDSXMFMK-KQKDOZOKSA-N 449.508 0.328 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(OC)n3)CCO2)C1 1832819638 LLHMPTBZCFTNKM-MBSDFSHPSA-N 445.516 0.518 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccs4)CCO3)C2)CCC1 1833034456 BQSAHIGZTNUYJM-NRFANRHFSA-N 446.529 0.628 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1835317683 CCUZVICZJQGONA-XKDCRVNJSA-N 440.500 0.662 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)cc1 1835652646 PTKPKLQMBBPAAJ-OAQYLSRUSA-N 445.545 0.839 30 20 ICED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674734 FQROLBAJWBEQOP-JOCHJYFZSA-N 447.536 0.572 30 20 ICED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835913124 UHJUZCZWAXIKKE-DENIHFKCSA-N 430.505 0.635 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053185 WMVALQJFRNXDBP-DYESRHJHSA-N 433.509 0.667 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1837398763 HZRZFLGNYVAAFY-JTSKRJEESA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837399317 QMWOXUUHMQXFTF-YWZLYKJASA-N 438.912 0.773 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1837399646 YOSHOWXIHKBEKZ-VGOFRKELSA-N 446.504 0.050 30 20 ICED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1837566954 WEWYSSDHTZKEHS-OIUBOPETSA-N 432.521 0.497 30 20 ICED COc1nccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1F 1837987547 FDZKEEVBSPUYDI-UHFFFAOYSA-N 433.436 0.930 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838322574 BKSURUOPROIYJM-QFIPXVFZSA-N 443.504 0.414 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cc4nn[nH]c34)CCO2)C1 1838619732 BXXAQYHWKCJZKZ-BBATYDOGSA-N 439.925 1.000 30 20 ICED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1OC 1838840425 NYVWZYKFAUBJCR-OAQYLSRUSA-N 430.461 0.473 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1839424801 CWSXVIATJDJAQF-YCRPNKLZSA-N 446.891 0.418 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cncn4)C3)C2)c1 1839453905 JLFNGTHNRFYMGR-JTSKRJEESA-N 438.488 0.789 30 20 ICED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839648115 SVOZLFITCSNGKC-GNBRFLJNSA-N 440.500 0.863 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839655115 FQMQTANBUBPSST-QGZVFWFLSA-N 434.509 0.138 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)cc1 1840323217 WXAHRHXJNQZLCI-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cc1ccco1)CCO2 1840467126 LRGXUASIVZGXCT-AWWPTUBISA-N 445.516 0.773 30 20 ICED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc([C@@H](C)C#N)c1)CCO2 1840716893 WSPNTRJWBVHWDR-AOMKIAJQSA-N 428.489 0.520 30 20 ICED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1840928449 JGWBFMSCVDHARO-QFIPXVFZSA-N 429.521 0.688 30 20 ICED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1)NC(=O)OC(C)(C)C 1844225173 SWOKLDSJSXOCPL-AWEZNQCLSA-N 433.509 0.925 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)no1 1844309265 NNLXQJBIDFWHEU-QPHXDFOYSA-N 433.465 0.445 30 20 ICED Cc1c(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn2[nH]cnc(=O)c12 1844656417 PGKGAMNMIYWEAO-APBDUKPZSA-N 442.476 0.677 30 20 ICED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C23CCN(C(=O)OC(C)(C)C)CC3)C1 1846119202 AXKWQZNWDRVZMJ-MRXNPFEDSA-N 444.532 0.586 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)NCCSCc2ccccc2C#N)n(C)c1=O 18232017 PORBMKZWGYSXCC-UHFFFAOYSA-N 426.502 0.745 30 20 ICED N#Cc1ncccc1S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 428245549 PXDVOQXGXBOZAR-OAHLLOKOSA-N 436.515 0.889 30 20 ICED O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)N1 442138425 PCGKYXWNFLNHHS-QMHKHESXSA-N 431.452 0.914 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 472174383 QHPRAPMSBZOFSP-UHFFFAOYSA-N 445.549 0.611 30 20 ICED COCc1noc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 474285659 WHZJIZDJQSBRFD-AWEZNQCLSA-N 448.505 0.099 30 20 ICED N#Cc1cc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1OCC(F)(F)F 480254870 BQAATTNORAUYQD-UHFFFAOYSA-N 438.370 0.862 30 20 ICED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 482732899 MWMYKQAPKRUMQK-UHFFFAOYSA-N 426.498 0.960 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 482796354 CXNBZRBPRYEGFR-ZDUSSCGKSA-N 428.536 0.107 30 20 ICED Cc1ccc(NC(=O)Cn2c(N)nc(C#N)c2C#N)cc1S(=O)(=O)N1CCOCC1 490145471 UBJMXZIYYPVYSY-UHFFFAOYSA-N 429.462 0.177 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)C1=O 513323247 FRZFAMLFWJTEQF-UHFFFAOYSA-N 441.488 0.342 30 20 ICED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 514084124 OQIICJNVYSFJKM-CYBMUJFWSA-N 448.480 0.609 30 20 ICED CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 518011008 ZHHGOKHTOYKXTQ-AWEZNQCLSA-N 438.506 0.805 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)CC(=O)OC)c1 520314265 PZSQKWIOAGMRHM-UHFFFAOYSA-N 425.507 0.098 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)s2)c1=O 523744498 UVCDGKXUADBDNU-UHFFFAOYSA-N 435.571 0.972 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 539429309 DXTYRCJVMIYPFU-MAUKXSAKSA-N 428.532 0.617 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(N)=O 541863821 WAOBEHLSFFWNKW-UHFFFAOYSA-N 432.933 0.776 30 20 ICED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 555257865 ZINYXFBUSXHHAU-UHFFFAOYSA-N 430.557 0.600 30 20 ICED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 557747005 SNGJUUDHVUHEOF-UHFFFAOYSA-N 441.513 0.778 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 559637589 GBLKWGOTBMCHBA-INIZCTEOSA-N 442.497 0.209 30 20 ICED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 561980582 ZDYFNRSCKBAPLM-HNNXBMFYSA-N 425.507 0.862 30 20 ICED Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCO3)CC2)c1C#N 565612527 JTHJCAODUQZCIX-INIZCTEOSA-N 441.540 0.836 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc2c(c1)OCO2 571919740 LOHIUNYCMVUYQI-UHFFFAOYSA-N 435.461 0.885 30 20 ICED N#Cc1cnn(-c2ccccc2NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1N 590542661 DRHHMNBXORICIZ-IBGZPJMESA-N 437.504 0.978 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 604927735 MBDZJZUAWYCAGD-QGZVFWFLSA-N 434.518 0.589 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CSCN3C(=O)C(C)(C)C)CC2)o1 730325717 SPSPKNQEGZRVNL-OAHLLOKOSA-N 449.533 0.994 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 732466996 RXHVRGXMHSUROX-FMQUCBEESA-N 432.525 0.243 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(OC)ccc3OC)c2=O)cn1 732562898 NSNDHFUMJULEFV-UHFFFAOYSA-N 439.497 0.382 30 20 ICED Cc1ccc(N(CCC#N)C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C 735493374 OYXOWKJIKHCSGE-UXHICEINSA-N 434.562 0.638 30 20 ICED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 735837279 QZPUXIPWLWPPSW-SYDAPRMOSA-N 431.537 0.552 30 20 ICED COCCOC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743942042 WIXCUVNFONYNEA-PFKVCDDJSA-N 440.522 0.606 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)c1nn[nH]n1 747469466 DXALYXZPHJUJCR-QGZVFWFLSA-N 425.474 0.924 30 20 ICED O=C(NCCCN1CCOCC1)C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 762221792 XTRUVYCNKDFGGQ-UHFFFAOYSA-N 427.501 0.844 30 20 ICED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 771295614 IXQMJCROIZSRHO-VBKZILBWSA-N 435.502 0.664 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774939643 YYBOKFOLZUDNAY-LLVKDONJSA-N 447.391 0.391 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 779027590 BJTAYQCSVGTOLY-OOJJEUIESA-N 434.478 0.267 30 20 ICED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 786739109 UTVYFGSXSMTGTN-QGZVFWFLSA-N 443.504 0.806 30 20 ICED N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O 788387266 NGOIFBXZIUPLHM-SFHVURJKSA-N 431.518 0.780 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)n1 788854170 QRIVFSJEKVNZNJ-UHFFFAOYSA-N 433.534 0.924 30 20 ICED CC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)S1(=O)=O 805398948 CQHNOEVXVHNAFW-MELADBBJSA-N 427.548 0.928 30 20 ICED CC(Cc1ccc(Br)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883689 WXQLMQXSLJROGA-UHFFFAOYSA-N 429.296 0.743 30 20 ICED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 838162078 GCPJNAQVSNJZBQ-UHFFFAOYSA-N 442.541 0.790 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921104961 WXCJRSMKZKFIEM-QGZVFWFLSA-N 428.536 0.963 30 20 ICED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n(C)n1 1290574746 YVPBGVZDVJOEAK-KRWDZBQOSA-N 448.553 0.441 30 20 ICED CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1303298349 QYADMNZPSKNFAM-QGZVFWFLSA-N 431.541 0.478 30 20 ICED Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1304484000 YREWNCPCEPHXQC-WBVHZDCISA-N 433.538 0.953 30 20 ICED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1319706416 LFQXCHRAMBOKHR-BBRMVZONSA-N 442.515 0.050 30 20 ICED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1508214744 IPABRKDBUCWVJR-FCEWJHQRSA-N 438.529 0.881 30 20 ICED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1619239925 PLRHQJHUHAAICW-UGKGYDQZSA-N 426.521 0.867 30 20 ICED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635270861 ZZZRUVLJZFRTTD-HNNXBMFYSA-N 438.506 0.589 30 20 ICED CNS(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 1644590237 QVDBOMXHWVREGM-UHFFFAOYSA-N 441.513 0.545 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708278627 IRQAZIMRUABNAG-FOIQADDNSA-N 431.518 0.837 30 20 ICED CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1708630345 KNTMZORRBYXYKB-HNNXBMFYSA-N 425.493 0.970 30 20 ICED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1711318535 VXFCXDMXJZZUHG-LJQANCHMSA-N 431.522 0.328 30 20 ICED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 1724010499 PJMYYXHFIIOQQX-CQSZACIVSA-N 429.568 0.745 30 20 ICED Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1C 1724398809 MEIZLUBCGAHAHS-INIZCTEOSA-N 432.506 0.921 30 20 ICED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1743385612 RMWUXLYYIKKYFV-OPAMFIHVSA-N 440.504 0.652 30 20 ICED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1763202028 WZWAURMHLLPLHG-QGZVFWFLSA-N 443.533 0.567 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1769845125 IBRSBXDIFQDVHX-OAHLLOKOSA-N 442.542 0.014 30 20 ICED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1)C(F)(F)F 1778381700 CGTUBWPXURBWRJ-SFHVURJKSA-N 441.410 0.579 30 20 ICED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779182484 GZGSCXLGFBNPEK-BTYIYWSLSA-N 426.477 0.119 30 20 ICED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1779318842 OEZHKMQZQGAGLA-ITSWEJNFSA-N 442.516 0.908 30 20 ICED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)C#Cc5ccccc5)CCO4)C3)CC2)CC1 1781107011 FILBBQGPCUPQLY-XMMPIXPASA-N 436.556 0.648 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1781264408 ZAVRGVRRCMTYGK-DNVCBOLYSA-N 430.523 0.006 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1782184032 JCDYMMKEMBKUTO-XBHMSOGKSA-N 431.518 0.535 30 20 ICED COc1ccc(F)cc1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782301315 QCVUOCYNPSHGSQ-XMSQKQJNSA-N 432.448 0.979 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782728476 XLULOPMUSGEYFH-UZUQRXQVSA-N 426.517 0.252 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1783132185 YKVRBKUFJXSGIZ-GEQKSPFYSA-N 440.500 0.730 30 20 ICED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)CCO2)C(F)(F)F 1783202849 OYXYPZVSASAZEI-RBIVETJNSA-N 434.440 0.737 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1783531772 VBOHUOFNQHXFJV-YHIPHSQJSA-N 442.520 0.115 30 20 ICED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1783890410 YNFRGMBMADXHQS-PWAOUJBFSA-N 435.546 0.314 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)c1ccc(O)cc1 1784016181 ONAGBMBEWHVMKY-HFJQGTKSSA-N 441.484 0.828 30 20 ICED CC#C[C@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)c1ccc(O)cc1 1784018168 MEBBZNNGBSFDSM-FPGHNAPASA-N 439.512 0.998 30 20 ICED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787265937 DYOFLTTWCCRROW-DZKIICNBSA-N 443.508 0.398 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c(C)cc(C)nc34)[C@H]2C1 1787906979 NGFTVDNZHXPXJI-ZULIPRJHSA-N 439.516 0.978 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)NCC)[C@H]2C1 1788565464 KWIUFKURGAFDNE-QAETUUGQSA-N 438.525 0.183 30 20 ICED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788681439 UJUSIRMZNOEVPN-AQMMJQRQSA-N 430.505 0.691 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(C)=O)[nH]n3)C[C@@H]21 1789890102 DKZGNMYVDCPCHK-MPGHIAIKSA-N 432.477 0.715 30 20 ICED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1789952478 INLMVVZHQNKURC-XAJHFOFHSA-N 431.555 0.448 30 20 ICED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]21 1791261432 MGPNTJUIPNCBET-FHIHXZLISA-N 432.546 0.789 30 20 ICED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]3C2)cc1 1791297950 QXGHRMDTFWAAKJ-BZSNNMDCSA-N 431.514 0.898 30 20 ICED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21)n1cnnn1 1791690253 PELOCXSULNRVRY-WMEZAQDKSA-N 439.476 0.164 30 20 ICED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1792534678 MMQXAOSNRZXJNM-KQMKRTKOSA-N 433.530 0.991 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2 1793345431 UDTRJRRDKBPQHW-OPOADAIRSA-N 449.507 0.885 30 20 ICED C=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)CC)C2 1793592455 IVEHOHOIBDIWQR-QEOTZNIISA-N 425.526 0.816 30 20 ICED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796023118 XFSLNLJZZXUXNA-YVSFHVDLSA-N 448.568 0.934 30 20 ICED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)N1C[C@H]2C[C@H]2C1 1797636145 WDYRBRAMKZMABZ-DUZSTJMQSA-N 429.561 0.615 30 20 ICED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)nn1C 1797810715 VOKICMJJOWUKLF-SQKIAGDQSA-N 433.509 0.390 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C#N)c1)C2 1798269313 UEZWMYRKOBAQAT-RCJHGTSTSA-N 432.452 0.943 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1)[C@H]1SC(=N)NC1=O 1798919740 GIFHWNZJJJMKSU-DBRALVMTSA-N 441.513 0.564 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1799306225 MTBVZHKQEVHQKR-CWPLJXCYSA-N 441.484 0.894 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1799397605 SSZRYZKPRGQWMF-ZXFNITATSA-N 449.464 0.147 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)Cn3ccncc3=O)C4)c2c1 1800876432 VIQUMAQDGNNIAC-MUJYYYPQSA-N 431.456 0.943 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1803923749 WOUDXXPVRMTXHQ-BCDXTJNWSA-N 431.514 0.593 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1806060948 MUCRTPOXESMOOI-HNNXBMFYSA-N 433.538 0.612 30 20 ICED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807048067 NZZYIWBUBYRGOS-UWOBFDRVSA-N 443.552 0.152 30 20 ICED COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808639002 IIRSDTLWDLEKKU-JXFKEZNVSA-N 425.445 0.332 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812671791 MACKPYJHOQBUML-PKOBYXMFSA-N 440.491 0.585 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814762558 OQYLJRGGBITJCA-QWRGUYRKSA-N 432.439 0.371 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1829860779 UOQYJJCOUAHHDE-DENIHFKCSA-N 428.489 0.543 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830636378 GTNRGFFEUGGHQM-JOCHJYFZSA-N 431.489 0.924 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831108034 WAWAFQOAKFHEPO-DENIHFKCSA-N 438.569 0.976 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1831405971 NUPFWHHOWJRWJT-QFIPXVFZSA-N 433.505 0.900 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)CC1 1833076615 BXWWQAMLKSOMNL-XNYOYJNRSA-N 440.548 0.853 30 20 ICED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1833087259 NAOHXEXAVMIRQV-QHCPKHFHSA-N 444.532 0.347 30 20 ICED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)cn1 1834530526 FYTZMEXGDWBGSL-FOIQADDNSA-N 435.481 0.356 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834587345 IQUQOMYKCYISAV-GWJNGDFSSA-N 431.493 0.329 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075597 RLOSHDQUMKYRTL-KRWDZBQOSA-N 447.536 0.646 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837563577 QFTRWDDSPWRWHP-HPARJBSBSA-N 441.488 0.611 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2)C1 1837674630 HUSZIEADKVPPBQ-JLHGSKIFSA-N 439.553 0.321 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837837731 KTSIHCNBDJXUKQ-FOIQADDNSA-N 438.912 0.773 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2)C(F)(F)F 1838352262 JBENCTCUSRDQNR-QGZVFWFLSA-N 430.383 0.674 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1838642494 SHLYEYHNQLQZSR-MRXNPFEDSA-N 448.524 0.742 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1839419891 AECIWZLDRNYUBB-UTKZUKDTSA-N 430.436 0.046 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1839566455 UEZMKCADPSJOFD-OAQYLSRUSA-N 428.397 0.296 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4c(s3)CCCC4)C2)C1 1840042310 NEFVTNDOJTXTSG-OAQYLSRUSA-N 432.498 0.785 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 1840042912 VPWHOXRANGLGJB-HXUWFJFHSA-N 446.847 0.146 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1840418534 CNNBXMDTBNFIAH-BHPBEWJQSA-N 430.465 0.008 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccnc3C)CCO2)C1 1840492388 KMEOZKGOINWGFT-SGXKBVARSA-N 434.537 0.782 30 20 ICED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](S)C(C)C)C1 1841628523 FLDZDSAWUVQKDM-GOSISDBHSA-N 432.583 0.840 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)[C@@H](O)C1 1845106805 GYNOXENUFVPGDW-RDJZCZTQSA-N 443.504 0.931 30 20 ICED COC[C@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 433965860 SNHPPVOHYMAPTF-IBGZPJMESA-N 440.497 0.484 30 20 ICED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 434435258 RRVNFIUGSZRPNY-CJNGLKHVSA-N 428.536 0.154 30 20 ICED CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 439385006 KLPMYJVXZQBGMA-UHFFFAOYSA-N 444.511 0.333 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)n1 441670901 VCIZUPFTCGDKIH-OAHLLOKOSA-N 434.378 1.454 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 442154673 LUZRHLCLSDXRHP-HNNXBMFYSA-N 428.424 0.608 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461821445 YXNGBERIWORIJH-OAGGEKHMSA-N 426.543 0.918 30 20 ICED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 465418760 DEDYYUVXLADFDK-RYUDHWBXSA-N 430.433 0.932 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3Cn3cncn3)CC2)c1C#N 472198534 LQWGKLYOIYFZAH-UHFFFAOYSA-N 426.506 0.751 30 20 ICED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)CO)CC1 478529080 LWIIJJNRYFKVNP-UHFFFAOYSA-N 426.267 0.761 30 20 ICED CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3Br)CC2)CC1 480649963 GTYUSKCZKBRZMQ-UHFFFAOYSA-N 442.383 0.931 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 485751390 LGMAECOFLVFOTF-UWVAXJGDSA-N 433.578 0.709 30 20 ICED CNC(=O)CN1CCC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 503261731 OVDCZEKZNKSYPA-UHFFFAOYSA-N 441.492 0.848 30 20 ICED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)CC#N 512059094 QICBHJWODMBACT-CRAIPNDOSA-N 436.534 0.880 30 20 ICED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513974575 PUXLBFDHVYEFRZ-SAHWJRBASA-N 431.500 0.859 30 20 ICED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCNS(C)(=O)=O 524282211 WGUKMZRGPKHLFU-UHFFFAOYSA-N 437.518 0.326 30 20 ICED C=CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 527097851 ZDYQQSNTENJPIO-UHFFFAOYSA-N 436.534 0.891 30 20 ICED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 532470497 CEWYSNNKUWAZNA-LJQANCHMSA-N 448.593 0.432 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3cnccn3)n2)c(Cl)c1 542106268 RJBIPXTWIBJTFE-UHFFFAOYSA-N 438.835 0.672 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 548131898 FBWDTBFQWJMOOO-UHFFFAOYSA-N 434.518 0.614 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 553089203 DDOPCKZSKUBWRM-JLJPHGGASA-N 442.563 0.449 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561477199 KPSXMZCSHRHDER-UHFFFAOYSA-N 443.323 0.678 30 20 ICED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 567654745 XMPIPJVTDCPJTA-UHFFFAOYSA-N 427.428 0.693 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c1 573039779 BRMCYOSHZDHNGH-OALUTQOASA-N 426.521 0.096 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 579279067 SVIYHPTVASUKAM-ICSRJNTNSA-N 428.533 0.717 30 20 ICED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 580179492 RQOUQGXGPUAEHT-UHFFFAOYSA-N 442.476 0.733 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2=O)cc1 588765558 SJHNZKNVZAIAPY-RTBURBONSA-N 432.484 0.565 30 20 ICED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 609749738 UIYNUJAIXYSXLV-GFCCVEGCSA-N 434.396 0.588 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 610805097 QNHZPENWRWNKTI-KSSFIOAISA-N 433.534 0.166 30 20 ICED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 619875807 PBEWDJVLWWITGH-QGZVFWFLSA-N 442.476 0.057 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccccc2O)CC1 725938608 HPDCYRKDBZYPHE-UHFFFAOYSA-N 443.481 0.883 30 20 ICED C=C(C)CN(CC)C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221456 QZWMIKXJRHUQNZ-UHFFFAOYSA-N 426.271 0.860 30 20 ICED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccc2)CC1 732459302 RZAATQKZUSQUQD-MRCUWXFGSA-N 440.504 0.551 30 20 ICED C[C@H](CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742687540 MAEJCNRLRVHXGE-DOMZBBRYSA-N 430.490 0.159 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cn1 746382065 NUPJROWEBXSFPD-UHFFFAOYSA-N 426.868 0.991 30 20 ICED C#CCCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 749658703 UVRJSBRNRZWYBN-GOSISDBHSA-N 435.546 0.396 30 20 ICED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1=NS(=O)(=O)c2ccccc21 757591498 UHHGYSBSGWOZPR-UKRRQHHQSA-N 447.517 0.943 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C3CCC3)s2)c1=O 758059567 QFIJSIPHWWHEHR-UHFFFAOYSA-N 442.566 0.923 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCCO1 758098760 VBKNDOHSTLPNGH-MRXNPFEDSA-N 429.546 0.725 30 20 ICED C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H]1N1CCN(C)CC1 765353922 SSQVANMDTXSLQR-MJGOQNOKSA-N 447.605 0.990 30 20 ICED Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c(C)o1 767960283 XFSNTXPAVORIKR-UHFFFAOYSA-N 442.541 0.406 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(CC(=O)N(C)C)c2=O)cn1 772301200 BZGULTGMBWQSTE-UHFFFAOYSA-N 427.530 0.803 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 781664519 SDZVCZBQXMRFEL-UHFFFAOYSA-N 448.570 0.433 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 783547598 NSNISWMBYAMWSL-GJZGRUSLSA-N 430.548 0.815 30 20 ICED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786408779 WVHXRAOXOZZCCZ-OAHLLOKOSA-N 448.524 0.773 30 20 ICED N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)n1 803549008 DWQANBHWUZIPKK-UHFFFAOYSA-N 439.295 0.783 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 806709451 YOSTVTDSMCHBMY-ROUUACIJSA-N 442.472 0.208 30 20 ICED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 807001850 DTZIOCFPDNWNNX-GOSISDBHSA-N 448.545 0.554 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCn2cc(Br)cn2)c1=O 808242902 PBLPYGYJVDRZRU-UHFFFAOYSA-N 425.287 0.092 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCn2cc(CO)nn2)cc1 809875005 WJNMZPRPXABUDY-OQKWZONESA-N 435.510 0.795 30 20 ICED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1 813985041 LABZJXZCGCWKPS-HNNXBMFYSA-N 428.426 0.792 30 20 ICED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 816757737 ZYPBXXKIXRLLAJ-OCCSQVGLSA-N 431.898 0.907 30 20 ICED C=CCNc1nc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cs1 820191215 SFNMJOYCPHHSPU-UHFFFAOYSA-N 442.505 0.923 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(Br)c1 839363682 IVFBUYIOKNMUPC-UHFFFAOYSA-N 444.314 0.644 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 916809621 IVCDJPWIBNVCRL-HXUWFJFHSA-N 442.453 0.839 30 20 ICED CCN1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919082651 HRTRFTURGQVFCG-AWEZNQCLSA-N 441.444 0.866 30 20 ICED C#CCN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 920200975 URBPBBWVFSSIMF-OAHLLOKOSA-N 435.502 0.681 30 20 ICED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1171533041 OMZKASGEPSGXFW-JOCHJYFZSA-N 446.573 0.749 30 20 ICED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1287218197 OUSJFGGBODTKBV-QGZVFWFLSA-N 448.553 0.686 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1288808947 ZJLJHYFQYHOSAH-CABCVRRESA-N 425.559 0.349 30 20 ICED CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1297786054 UHYIAICXOMLTOF-INIZCTEOSA-N 444.521 0.185 30 20 ICED CS(C)(=O)=NS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 1307771095 YIYCDVGGCGYAMF-ZDUSSCGKSA-N 431.565 0.315 30 20 ICED 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20 ICED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835351942 GMTMOHLOWCMPBJ-HRAATJIYSA-N 438.525 0.907 30 20 ICED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835387142 VYNTUHXHSJWNNT-YAQIIAKESA-N 435.546 0.895 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1835675554 WAZMBHKCEFUOHQ-OAQYLSRUSA-N 432.525 0.081 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)CC3)CC2)CCC1 1837118325 YLFDYLANCURHSZ-INIZCTEOSA-N 431.493 0.277 30 20 ICED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837375176 NRNPHLWCZUBALT-HTAPYJJXSA-N 436.553 0.919 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1837393507 SZYIYMYOBUVQLD-VGOFRKELSA-N 433.505 0.733 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1837398507 CKBWNNHOAZEVDG-JTSKRJEESA-N 449.504 0.881 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837449041 ZEZXSSUBOHFLSV-YCRPNKLZSA-N 433.461 0.346 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3Sc4ccccc4[C@H]31)CCO2 1837475692 SDZYNVMXOMZBGF-KEZQHZCBSA-N 442.493 0.419 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1837659000 JVJNEUMVOZXUIX-YWZLYKJASA-N 438.550 0.062 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1837676789 WOMVBMPQKWOTAR-UZUQRXQVSA-N 442.516 0.933 30 20 ICED CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838732247 JOENKLJHAXAIHV-OAQYLSRUSA-N 442.476 0.705 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5ccccc5CN4)C3)C2)c1 1838736207 PZBJYTQPTJNXSK-ZJSXRUAMSA-N 449.511 0.671 30 20 ICED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1OC 1838841599 DMCBNMCVDWEJPE-QFIPXVFZSA-N 444.488 0.863 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838952155 DZLQKIVMTMOCNI-KOIKXXGWSA-N 431.464 0.754 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838953431 XFQUHMOUTNGKNF-NQIIRXRSSA-N 433.530 0.742 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4=COCC4)C3)C2)c(C#N)c1 1839133334 MAGYDWXLICIOIW-QHCPKHFHSA-N 441.484 0.870 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1839174317 SOIFLFFNEDCKAR-QFIPXVFZSA-N 447.488 0.670 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839223138 NRZXPLNFDYJORP-JLTOFOAXSA-N 449.464 0.046 30 20 ICED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1839227892 MOWPGVWXTGLAMF-KXBFYZLASA-N 425.482 0.197 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419643 NCVBWNBDWMISKT-FQEVSTJZSA-N 428.424 0.210 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839568588 BIVCFBWFGNPJSY-VGOFRKELSA-N 426.473 0.443 30 20 ICED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC(=O)OCC)CCO2 1839681002 BFCGHIMNDYNIIQ-HNAYVOBHSA-N 430.523 0.924 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]34CCN(C(=O)OC(C)(C)C)C[C@@H]3C4)C2)C1 1839810644 KHFSPZWGAKCPLI-JJEOQYAHSA-N 447.532 0.723 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1840045089 QOSXHLSEJFDZMZ-LJQANCHMSA-N 426.347 0.262 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1841598475 MLSTUDBTRCJYPO-IRXDYDNUSA-N 435.521 0.864 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2c(Br)cnn2C)C1 1843603714 VRKXGKWRCMQCKG-WAYWQWQTSA-N 436.310 0.858 30 20 ICED Cc1c(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)cn2[nH]cnc(=O)c12 1844656305 DIGFPAADBOYSBV-AUEPDCJTSA-N 425.493 0.620 30 20 ICED C=CC[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 1847940537 SNCHVZUJXATEEF-KBXIAJHMSA-N 449.508 0.256 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](N3CCCC3)C2)CC1 60374473 AIULQDGYCJKARS-IBGZPJMESA-N 431.562 0.561 30 20 ICED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCO1 410155895 VOWDXPQQBYDPQA-LSDHHAIUSA-N 432.499 0.038 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 429268061 QBZOCWMHGJWHJU-GFCCVEGCSA-N 435.448 0.781 30 20 ICED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)n1 446043791 DSHKTPUCRAMOCQ-UHFFFAOYSA-N 434.451 1.384 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465417190 MOWCQJXABZDKJV-XJKSGUPXSA-N 437.522 0.767 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 470199881 HKHQUSUILQJSFU-ZDUSSCGKSA-N 445.505 0.153 30 20 ICED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)ccc21 471030648 UWZFBKISCPPBLT-QGZVFWFLSA-N 441.488 0.308 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)CC2)c1C#N 471866396 TWAMUFMOJTXFRQ-UHFFFAOYSA-N 437.552 0.779 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@H]1CCOC1 477185871 JGLMBIRMTHRSFE-OAHLLOKOSA-N 445.516 0.660 30 20 ICED COCCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 482036033 GERHJIJWNYHGCD-ZBFHGGJFSA-N 443.547 0.277 30 20 ICED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 504545733 HIQWOFOMMCOOMI-IBGZPJMESA-N 436.472 0.583 30 20 ICED C=CCn1nnnc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 505859071 PCROFNBZLFZRGY-UHFFFAOYSA-N 438.535 0.289 30 20 ICED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NCCCOC 506884254 JUAXSQQXPHTAGF-MRXNPFEDSA-N 436.490 0.903 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2SC)c(=O)n1C 525460079 KMBREVIHWJMLBH-UHFFFAOYSA-N 431.539 0.991 30 20 ICED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527279999 YIWBHLGRTJEBNB-AWEZNQCLSA-N 447.463 0.831 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 537794056 VLNOFARGRHRZGL-CYBMUJFWSA-N 426.458 0.748 30 20 ICED C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540559882 DBOAQKHFMDFLCX-PKOBYXMFSA-N 444.605 0.742 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1CN1CCNC1=O 541697134 MEOQTLZLOHOOEX-OAHLLOKOSA-N 448.487 0.549 30 20 ICED CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 547291375 OJOILVCXTQJAOZ-INIZCTEOSA-N 436.534 0.966 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1n[nH]cc1Br 547306532 PWTJGWPKAGMLEU-UHFFFAOYSA-N 429.238 1.188 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 548617147 QMKAXBXPEHECHK-LLVKDONJSA-N 435.864 0.296 30 20 ICED CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(=O)(=O)C1CC1 550257618 XCHGPNLNIRQALX-UHFFFAOYSA-N 425.532 0.747 30 20 ICED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c2ccccc2O1 551544209 PLQPQODYOBWABC-IBGZPJMESA-N 435.440 0.569 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 559598966 JGYBQMNEPWORRJ-UHFFFAOYSA-N 425.533 0.966 30 20 ICED CCOC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567422642 MJGRBJNAFVEHSS-SFHVURJKSA-N 426.473 0.577 30 20 ICED C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCCN3S(=O)(=O)N(C)C)cc2C1=O 572677539 NSAZQKVWOQQJHW-OAHLLOKOSA-N 434.518 0.859 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 575144177 NTGYFQOKQJSANB-OAHLLOKOSA-N 430.490 0.669 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 579145397 BXYNNPYMBYKSLE-MRXNPFEDSA-N 439.438 0.728 30 20 ICED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 610425144 BSHBAECUCAWTEH-MSOLQXFVSA-N 425.489 0.609 30 20 ICED CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn(C)c2)c1=O 732796374 DGWZGURVBNELFZ-UHFFFAOYSA-N 425.436 0.720 30 20 ICED C[C@H](CC(=O)NCCS(=O)(=O)NCC1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 742656485 GMNOSDHYDFYRHZ-CYBMUJFWSA-N 442.563 0.339 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1cc(C)ccc1C 743725252 KXHKFSJDWVHIJM-UHFFFAOYSA-N 437.525 0.608 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccc1F 748552981 XTLGIUWAEXZNJM-IBGZPJMESA-N 438.481 0.740 30 20 ICED Cn1c(=O)c2c(ncn2CCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)n(C)c1=O 751639783 SAMADXSFUPEJAG-GFCCVEGCSA-N 442.457 0.106 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)C1=O 755670288 PCMJGJKJTFHLQZ-UGSOOPFHSA-N 442.542 0.789 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2OC)c1=O 758049660 HRGHNBKYVNIBKU-UHFFFAOYSA-N 431.901 0.471 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758078452 LNYAQUWWYOALCG-UHFFFAOYSA-N 432.461 0.799 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc(OCC)n2)c1=O 758079498 LPAFXKUOPIHXBO-UHFFFAOYSA-N 434.477 0.749 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 765511906 FWZLBIUZWTYAFH-SMDDNHRTSA-N 432.424 0.847 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O 767638229 RSTJTVBBYABGBT-SUMWQHHRSA-N 431.474 0.697 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 774956348 PWKMVJXSWZCGRX-CQSZACIVSA-N 446.403 0.877 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1 785395869 IRVXQHDNDZTSRU-QGZVFWFLSA-N 435.488 0.949 30 20 ICED CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)NCCC#N)c2)CC1 785517342 HFADPXDAVUTHCJ-UHFFFAOYSA-N 442.925 0.853 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2nnnc2O)cc1 793948855 DYMYOANJCZCWND-UHFFFAOYSA-N 427.446 0.825 30 20 ICED COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 796300270 UEJSIDMPRLUWDK-QGZVFWFLSA-N 429.399 0.931 30 20 ICED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC(=O)N1C 800657159 UCKIAEPGKXLESS-QIAIEURZSA-N 435.506 0.127 30 20 ICED C#CCNc1nc(NC[C@H]2CN3CCC[C@H]3CO2)nc(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 804396583 JWPHAPRKIKXBHN-QGFMHUBQSA-N 442.568 0.467 30 20 ICED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)NCCn3cnc(C#N)n3)cn2)CC1 806447251 SHRYPIAZCWUKTE-UHFFFAOYSA-N 442.484 0.819 30 20 ICED CC1([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)OCCO1 808237486 TXVJYLORTOFGJI-RBUKOAKNSA-N 440.500 0.777 30 20 ICED C#CC[C@@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 809622965 NFIGZWSJUMACRL-FQEVSTJZSA-N 442.582 0.473 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 812275834 DEGHNWBQOSHTNS-CYBMUJFWSA-N 432.424 0.754 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812276100 HVTLDBNROUHCIU-UHFFFAOYSA-N 439.488 0.645 30 20 ICED CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 819564067 NLRJPKQAMMMKEN-CYBMUJFWSA-N 448.505 0.924 30 20 ICED CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 916980256 GEKQXGRMMUWWFE-SFHVURJKSA-N 448.545 0.666 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1CCOC 917769215 WLXHHBYISVUORI-UHFFFAOYSA-N 441.509 0.523 30 20 ICED CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 1116279883 OEYLBTLMSAAXEH-GJZGRUSLSA-N 431.518 0.864 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)cc1OC 1189504616 PLIBAVXBAODLKB-UHFFFAOYSA-N 446.485 0.270 30 20 ICED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300821269 NGDPOHPFNCLVTL-UHFFFAOYSA-N 435.348 0.408 30 20 ICED Cc1c(Br)c(C)n(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(=O)c1C#N 1324276377 YADAYSHMVMVKEQ-LLVKDONJSA-N 431.312 0.288 30 20 ICED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 1473049755 NZPJAMGLXHLSNB-UHFFFAOYSA-N 427.895 0.363 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1510176859 HXNVSXRWMROUCC-CVEARBPZSA-N 439.586 0.739 30 20 ICED CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1515904945 ZNIIMGZIRSJZKK-GVDBMIGSSA-N 440.618 0.653 30 20 ICED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1517540765 XXEYOWIXUVFXJW-KRWDZBQOSA-N 425.493 0.683 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 1521309667 LOLSLEFNKQMHHK-UHFFFAOYSA-N 435.502 0.935 30 20 ICED Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n1 1543422861 CRQMDPJUWYLRJL-INIZCTEOSA-N 427.513 0.917 30 20 ICED C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCNS(C)(=O)=O)CCO2 1545151574 QDMUGQZIKQOVSM-MGPUTAFESA-N 446.533 0.750 30 20 ICED CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 1547900674 KMDWUCCZVXDMEQ-RBUKOAKNSA-N 440.570 0.952 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1547920560 XNUANPIMPFPXIQ-GPMSIDNRSA-N 439.538 0.626 30 20 ICED COC(=O)C1(C#N)CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 1636469535 OWILGFJZJSICSF-UHFFFAOYSA-N 427.504 0.688 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCN1S(C)(=O)=O 1698453771 OSMCLADTSSGVMV-MGPUTAFESA-N 446.533 0.438 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOCC1 1761481218 ZCKWVZSOAYZQCH-INIZCTEOSA-N 439.586 0.741 30 20 ICED CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)o1 1765614869 SKWDPIFWZOWTSG-ZIAGYGMSSA-N 437.526 0.914 30 20 ICED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134360 GXUMXEWKBJAQHA-CBKPSKEASA-N 425.507 0.209 30 20 ICED O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779524746 CCWPJEZFIKVENA-AGVQAPASSA-N 447.448 0.147 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)[C@@H](O)C1 1781112050 NYJZPKXLQAUVML-CKJXQJPGSA-N 436.509 0.348 30 20 ICED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)nn1 1782196814 KUSHZRFYOAYOBF-QFIPXVFZSA-N 447.455 0.990 30 20 ICED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cnnn1 1782604259 ZPTCOMCIIMOZAC-FNCSKKEUSA-N 449.512 0.277 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783195780 GSIXQLWTFBFAPI-SFHVURJKSA-N 449.520 0.699 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783199620 MBGINLJSKKIYAM-GOSISDBHSA-N 440.403 0.798 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1783504477 RNDMKWYWDZDBQR-PEOGOYOCSA-N 448.520 0.612 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1783531778 WIDRQCXSXRYXOE-RVKHQLRBSA-N 427.505 0.281 30 20 ICED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)n1 1784385204 IDCIPAWUUVEGQG-FHWLQOOXSA-N 426.517 0.680 30 20 ICED Cn1cccc1C(=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1784612305 WSKZUZSZSMSILZ-ZGYKXIANSA-N 432.477 0.567 30 20 ICED NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cc1 1784928642 COJBJCLBQOLZPQ-YQNSVDCASA-N 427.505 0.701 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc5n(n4)CCNC5=O)[C@H]3C2)cc1 1786261240 LGEIPUPGBZCBLT-ZWOKBUDYSA-N 448.483 0.405 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787405783 AGGOGVNGEWNGEX-FKSLSLAPSA-N 446.548 0.411 30 20 ICED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4n(C)c3=O)[C@H]2C1 1787974718 SPLPXCQMEMJKBB-FHIRATQRSA-N 430.530 0.845 30 20 ICED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)o1 1788631526 MCBQJYREQHGGOL-BZSNNMDCSA-N 430.505 0.599 30 20 ICED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1790175842 MRLZMFGTDZFWIF-DNUAJFIVSA-N 447.492 0.323 30 20 ICED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)c1 1790225756 GCPNAKKKBBEHQA-YEWFCNIMSA-N 428.464 0.817 30 20 ICED CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079332 KIIMHITZZGQUME-OWQGQXMQSA-N 447.875 0.980 30 20 ICED 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)N1C(=O)OC(C)(C)C 1792432645 WCCLMKVLEZRFIA-NAHJCDBISA-N 449.504 0.452 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(Cl)c1OC)C2 1792489697 JBLSNUMDLWGZET-OLDVJPBNSA-N 448.907 0.805 30 20 ICED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837427 QXKNRDCEZAMTAK-CWPLJXCYSA-N 438.933 0.716 30 20 ICED CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)cn1 1796075946 YGHZSIOWVYFICY-SCAQPMJSSA-N 432.502 0.133 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O)C(F)(F)F 1797323670 PSOLRHISQCYEMP-JJLQDPRZSA-N 441.410 0.338 30 20 ICED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797811164 JKLDAWQVTKNXGZ-RNEYVEBBSA-N 449.508 0.262 30 20 ICED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1)C(F)(F)F 1797829228 FJBKQBTWGZAGFL-JJLQDPRZSA-N 430.383 0.421 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2)C3)c(C#N)c1 1799237667 BVQUUPQJRRNKGO-BBIADKPPSA-N 426.517 0.795 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(CO)on3)C4)c2c1 1799884785 WRTTWRFMNZTQHI-IVWMJMPLSA-N 436.428 0.432 30 20 ICED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1801167247 ZSXNBGUFZVPFHL-CWPLJXCYSA-N 427.505 0.413 30 20 ICED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1801991215 INAALQGEEAAOET-WOSNLTMFSA-N 435.484 0.622 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1802126513 HZWWBAFIHORQSA-KYHPRHEASA-N 443.504 0.596 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1814806535 HALMRMNOCJWAKH-MIUBOFOBSA-N 435.554 0.120 30 20 ICED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1814919802 KTHWHLKWUQBZQB-XIJPWPHISA-N 432.554 0.367 30 20 ICED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4n[nH]c5c4CS(=O)(=O)C5)sc3C2)CC1 1815850842 ZJMXKGVDNGYDND-SECBINFHSA-N 446.514 0.824 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819555180 QGOUJEBUSYYXRB-LLVKDONJSA-N 445.553 0.670 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)CC)CC2 1822918126 CHXWFGNMIMQKPZ-LBPRGKRZSA-N 443.547 0.999 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485712 UQBOWLREAAKBLR-BCVDLATCSA-N 449.464 0.730 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758041 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HMKADNMDVCCXDF-UWJYYQICSA-N 435.546 0.785 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3C)CCO2)C1 1832630674 NYICEMZRELTTDG-WMZHIEFXSA-N 429.517 0.817 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)sc3C)CCO2)C1 1833145116 RPTRYUODPVJULD-YCRPNKLZSA-N 435.546 0.797 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1833238849 JKBZUWROKHPLEV-KSFYIVLOSA-N 438.488 0.826 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833387684 AXWNDIIFLQFNNV-OPAMFIHVSA-N 448.520 0.030 30 20 ICED Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834315905 FBFKUVGRURHCTE-JOCHJYFZSA-N 431.489 0.752 30 20 ICED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC4CCOCC4)n3)C2)C1 1834763545 NQPRNYUCHCAOSL-QFIPXVFZSA-N 444.488 0.623 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767703 QGXRYXXBJJXFBC-HRAATJIYSA-N 434.493 0.273 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)o1 1835096760 JWKHRHIWKOWJOR-HSZRJFAPSA-N 438.484 0.862 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn4ncccc4n3)CC2)CC1 1835392111 GIZVLOMPZWTTTH-KRWDZBQOSA-N 438.532 0.953 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836784885 UKNRAJCJARGBPH-HJPURHCSSA-N 441.484 0.290 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1837384610 CMLSSOIVCRHZIP-KSSFIOAISA-N 432.468 0.362 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837447135 UZWWBQXOCCRPNO-YFARLYCMSA-N 434.537 0.482 30 20 ICED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccnc1 1837487151 XQPBRUNHWNMBCS-XXBNENTESA-N 444.532 0.599 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1837488373 BWKHMFITUKDLKX-JOCHJYFZSA-N 430.505 0.038 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N1CSCSC1 1837568775 CWENAUUWEOEGLR-OXJNMPFZSA-N 439.603 0.899 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837670392 FESWRKJEZSLQFW-XMSQKQJNSA-N 439.553 0.730 30 20 ICED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1838095440 GAMUXTWABXOEOR-VABOSUEISA-N 447.492 0.384 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1838599463 HVFYNUWCTKCFKT-FQEVSTJZSA-N 431.832 0.370 30 20 ICED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742026 MLJUHQXCWAUODT-QVKFZJNVSA-N 426.477 0.723 30 20 ICED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)ccc1F 1839187659 PPWLTGSEMYYYON-NRFANRHFSA-N 443.435 0.439 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1)C(F)(F)F 1839893235 SDWDNSLLLLNJGL-HNAYVOBHSA-N 443.422 0.984 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(-n2nccn2)c1 1840162353 VDJVIBWFURLOIA-IERDGZPVSA-N 445.545 0.964 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1845188629 NYWJHTWFJHXLQI-HNNXBMFYSA-N 429.477 0.308 30 20 ICED C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874524 LJXVBISRWBYIFS-JKSUJKDBSA-N 432.546 0.173 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1846382199 JWKQZOMPUFFXJD-FQEVSTJZSA-N 425.445 0.867 30 20 ICED CC1(C)NC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 18039147 CCPJZWJXSJXCLY-UHFFFAOYSA-N 447.517 0.502 30 20 ICED N#Cc1ccnc(N2CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)c1 29449378 NDQVGYVKKGOLLF-UHFFFAOYSA-N 448.527 0.864 30 20 ICED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(COC)c2)c1=O 440401545 WEZHVYGCAPHKOH-QGZVFWFLSA-N 427.526 0.874 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 441945562 HJOHFOLVCUUWAQ-ZDUSSCGKSA-N 426.523 0.685 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCOC1 441962335 WVIFPUOOZWMJRP-OAHLLOKOSA-N 442.497 0.884 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C 446190900 FPSVMJGZCJMGQW-UHFFFAOYSA-N 439.476 0.649 30 20 ICED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446525241 YGKZKTTVLWFOAE-HNNXBMFYSA-N 444.469 0.692 30 20 ICED COCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 446554490 IIHHUFYSMFHKIR-GFCCVEGCSA-N 431.417 0.760 30 20 ICED COCCO[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 447397914 PIRQOYRULRXABI-VLCRHTCISA-N 448.539 0.880 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 460605958 KTPXXQAOHFGOHL-UHFFFAOYSA-N 446.471 0.598 30 20 ICED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 463192567 MAWYULQIYOUSJF-LJQANCHMSA-N 426.498 0.968 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476275504 RRUYUIBDCOWMIC-VLIAUNLRSA-N 441.492 0.001 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1nc2n(c1=O)CCCC2 480489429 WNRSPKBBXZAMPZ-CQSZACIVSA-N 432.506 0.126 30 20 ICED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)C[C@@H](C)C#N)CC2)cc1 480688908 LLQBXVZSWXMUDA-INIZCTEOSA-N 436.534 0.926 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 480790767 YODRYEHPOQYLOR-YUNKPMOVSA-N 441.469 0.918 30 20 ICED CCOCCOC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 483370024 GHICTXYIWXBNPI-GOSISDBHSA-N 439.534 0.489 30 20 ICED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 498603725 DENASCREBFLUGJ-ZDUSSCGKSA-N 436.266 0.112 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 506698634 IJUPVPONRPHHMW-OAHLLOKOSA-N 438.506 0.404 30 20 ICED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@](C)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 509252913 DIEBOMIXOMZHNB-OWCLPIDISA-N 434.588 0.246 30 20 ICED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 509411956 YEMIJQNYONLPFT-LLVKDONJSA-N 440.469 0.889 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN1Cc1ccccc1 511754701 PXSPPCBTACLYOX-CEXWTWQISA-N 430.530 0.259 30 20 ICED CN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O 512402573 CSMAODHJIGYZAH-UHFFFAOYSA-N 438.465 0.931 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)n1 514651343 WKVOOFLCJRYVLJ-UHFFFAOYSA-N 438.440 0.324 30 20 ICED CCNS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 517206698 CNAOBFPZSKNIIO-UHFFFAOYSA-N 436.515 0.451 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)C1=O 517820171 FRBYWYWGDALJPX-HNNXBMFYSA-N 429.433 0.902 30 20 ICED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 537047276 ZZFHUXQDRVUSMK-LJQANCHMSA-N 443.614 0.051 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 537252296 LVAVPAXCUYBVFL-HOTGVXAUSA-N 425.580 0.471 30 20 ICED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 538270829 DTUOYZCNIOWPNL-SNVBAGLBSA-N 426.442 0.771 30 20 ICED CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)no1 539205460 IMZVEYKFLJGBMJ-HNNXBMFYSA-N 442.480 0.869 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCNC(=O)N(C)C)nnc12 540852730 MCMMKCLQJJHSJX-UHFFFAOYSA-N 429.506 0.710 30 20 ICED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 544499193 VZOPLFXOEWQGHL-UHFFFAOYSA-N 443.504 0.311 30 20 ICED Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 561820901 VLZTYGZWTJJJBT-WMZOPIPTSA-N 444.517 0.838 30 20 ICED COc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(N)=O 567431300 DCNUFIPBHRKVDM-UHFFFAOYSA-N 432.458 0.026 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 567720457 IEKWGCXDAJKMIC-UHFFFAOYSA-N 443.939 1.082 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 568444197 UMEVMVPPIBXPLK-UHFFFAOYSA-N 445.501 0.939 30 20 ICED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 582367635 FEMQJPNSNSBOHI-CYBMUJFWSA-N 431.898 0.353 30 20 ICED N#Cc1ccncc1N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 584565491 HMDNFVQIYNKCRH-UHFFFAOYSA-N 447.542 0.905 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCC[C@H]3CN3CCOCC3)CC2)nc1 587659364 MHCPJJWUEJBLOM-FQEVSTJZSA-N 440.548 0.752 30 20 ICED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(F)c3)c(=O)n2CC)CC1 590986626 JWKWCPFJYRZYHE-UHFFFAOYSA-N 444.532 0.745 30 20 ICED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604472899 ZBUGXIHNKVEQOW-UHFFFAOYSA-N 426.542 0.643 30 20 ICED COc1ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 728948611 HFAQIYOPRRCXBF-CQSZACIVSA-N 439.490 0.633 30 20 ICED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCC(=O)N1CCN(c2ccccc2)CC1 735855871 SGIYUZOXZPKCOE-QURGRASLSA-N 425.489 0.758 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 742895496 KNOROGDTFZQVGV-KBAYOESNSA-N 438.509 0.998 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 746256609 SEEGDYHRFNAEDO-KHOFPDMRSA-N 437.500 0.853 30 20 ICED CCCCOc1ccc(C=NOCC(=O)NS(=O)(=O)N2CCOCC2)cc1OC 747746754 MWUNUIGRMCAOIM-UHFFFAOYSA-N 429.495 0.918 30 20 ICED CN(C)C(=O)CN1C(=O)C(=NNc2nccn(C)c2=O)c2cc(Br)ccc21 748079716 KCJBFCDGXIEPSH-UHFFFAOYSA-N 433.266 0.794 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758070067 RTVZIWQNZVKIBC-UHFFFAOYSA-N 429.505 0.569 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 761037780 KAPCVHJPPCSRJF-LBPRGKRZSA-N 429.886 0.660 30 20 ICED Cc1cc(=O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c[nH]1 762901606 KWDLDGOPPUIASW-UHFFFAOYSA-N 444.469 0.245 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn[nH]2)c1 783931826 XLBPPPZZSAZDDR-XQNSMLJCSA-N 433.494 0.653 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3ccccc3C(N)=O)CC2)o1 795809672 NSAOXEWRJQIZHS-UHFFFAOYSA-N 425.445 0.778 30 20 ICED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)C1=O 798741217 LMVWXHKIROOAQE-HXPMCKFVSA-N 425.405 0.142 30 20 ICED C#CCC[C@H](O)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 799084446 AMNNFEVMHJTQKL-ZDUSSCGKSA-N 436.424 0.934 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 804081403 LTSFRTJJZKSPPY-UHFFFAOYSA-N 438.463 0.564 30 20 ICED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 810781973 DLVWPZJISXUKCQ-UHFFFAOYSA-N 444.531 0.574 30 20 ICED CN1C[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 919082807 KPKPJJPIFABFAM-ZDUSSCGKSA-N 427.417 0.476 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)c1 927569655 FIOXQBJYINIYMR-AWEZNQCLSA-N 436.486 0.555 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167523954 ZKWQSUKMOBHAJY-HNNXBMFYSA-N 445.863 0.904 30 20 ICED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1298327228 OXJFCYMDZYLVOP-MRXNPFEDSA-N 437.547 0.733 30 20 ICED N#Cc1cn(CCNS(=O)(=O)CCc2ccccc2Br)c(=O)nc1O 1309696848 RHAZIWHCFPOSAI-UHFFFAOYSA-N 427.280 0.745 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1611711323 MLYQGLNXMBCFIR-HOCLYGCPSA-N 425.559 0.491 30 20 ICED N#Cc1cn(CCC(=O)NCc2ccccc2OCCN2CCOCC2)c(=O)nc1O 1626896002 UOECPGIAWMNYHG-UHFFFAOYSA-N 427.461 0.238 30 20 ICED N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)sc1Cl 1639208219 QUZPRKIYCFYPDM-UHFFFAOYSA-N 447.951 0.826 30 20 ICED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1707909164 KRLGFVNQJFFSDN-UHFFFAOYSA-N 431.522 0.120 30 20 ICED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1745883589 OXNMEPSOCNRRKB-UHFFFAOYSA-N 447.503 0.882 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1748292393 KXQPJXTVCQYUHP-QGZVFWFLSA-N 445.549 0.671 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778724187 ZQURCHKBNOVHAF-QHCPKHFHSA-N 439.516 0.655 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1779105277 SUCAKZMJLAZDNW-SFRQHRMHSA-N 442.476 0.702 30 20 ICED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779419587 CBIIZJXYSYVKAN-YTOZUOPGSA-N 438.525 0.541 30 20 ICED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1781693696 ZUKYFAROJSLULT-YTSMVRMISA-N 449.548 0.751 30 20 ICED COc1ccc(CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(OC)c1 1782994706 UAHIXYDYYDXPEN-QFIPXVFZSA-N 430.457 0.554 30 20 ICED CC(C)Oc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)cc1C#N 1783044947 KBUNTEVFYWKAKB-XMSQKQJNSA-N 431.489 0.784 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cn5c(nc4=O)SCC5)C[C@@H]32)C1 1783465278 SKYCDNBBIGNAIT-WBAXXEDZSA-N 444.557 0.837 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1784484522 WSYSORRKXMIKHB-BODMPHMZSA-N 439.468 0.453 30 20 ICED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1cnnn1 1784600673 LDBJIFGDOCYXNH-QRWLVFNGSA-N 425.449 0.015 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3n[nH]c4cc(Cl)ccc34)[C@H]2C1 1789714449 OWTVUVCGVQTBPU-QITLCBANSA-N 444.875 0.827 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H]5CNC(=O)C5)C[C@@H]43)c2c1 1790330809 ZHBDAXLOAHTFNU-DNUAJFIVSA-N 436.472 0.164 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C(=O)OC)(C3)C4)[C@H]2C1 1791019198 LIOAHYMPKOGVRQ-YYTPORGASA-N 448.516 0.819 30 20 ICED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)cc1O 1794323444 BSJQXQQWCXEXFD-UGSKHMEESA-N 430.486 0.830 30 20 ICED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)nc2C(F)(F)F)n1 1795996834 IMCZLNLRMJMAJS-GNXNZQSNSA-N 449.393 0.618 30 20 ICED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796298678 BCKREKHVYJRXFG-XFIYOXNOSA-N 445.582 0.416 30 20 ICED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)s1 1797783176 HJFUICNBXWWHRW-CWPLJXCYSA-N 432.546 0.677 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797889849 BRZMIZMLEFGKTA-JCQHHRMRSA-N 429.473 0.080 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1)[C@H]1SC(=N)NC1=O 1798859339 IDPUCABBXVEVTO-DBRALVMTSA-N 441.513 0.564 30 20 ICED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)cc1 1798922539 VUNKKROBDDTXDH-MIFYACCESA-N 425.363 0.867 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)cc1C#N 1799144164 ILBHYNBVFMRIPQ-RVDAZCDBSA-N 442.516 0.271 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)no2)C3)c(C#N)c1 1799238707 VWAXHJXWWLIXFU-YVWYUNDQSA-N 426.429 0.706 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C[C@H](NC)C(=O)O)[C@@H]1c1cccnc1 1807205486 NVKLNIZYYODQQW-UWVAXJGDSA-N 446.504 0.660 30 20 ICED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1 1810093975 HSLHVOLYILMAFO-JFIYKMOQSA-N 429.477 0.846 30 20 ICED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1812526561 HGMNHJVWTYZIJF-SCTDSRPQSA-N 429.521 0.963 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1813264945 TUAOQIZTSYBDEX-KVWGNXHNSA-N 429.477 0.302 30 20 ICED O=C(C#Cc1ccccc1)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1814012496 QAWRFBWFLLQMTE-CQSZACIVSA-N 448.441 0.832 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](NC)C(=O)O)[nH]n1 1814436161 KXNLDECXWFCUKE-XAQJJABOSA-N 432.481 0.323 30 20 ICED Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)c(=O)nc1O 1817114146 QFYQZWXDGGHHKU-AWEZNQCLSA-N 425.449 0.977 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827201710 FOMGJHXXEZBUBC-DGMVEKRQSA-N 440.547 0.348 30 20 ICED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)cc1 1829631504 LCZYDQLSZIVRID-MZKRTTBSSA-N 427.501 0.718 30 20 ICED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831203106 ZETUUVBAKMSARI-LAUBAEHRSA-N 440.541 0.550 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C(F)F)C2)C1 1831396961 MWGCECIFZSDSTP-YWZLYKJASA-N 440.447 0.695 30 20 ICED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831694748 RUROZJQJTWHXNW-IIBYNOLFSA-N 440.541 0.406 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)CC1 1831933513 DITTXMQZMNWKJZ-PWBPZBFBSA-N 430.549 0.991 30 20 ICED CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1832314659 XAOUEPJDTQIDAT-WCNTUGILSA-N 441.525 0.787 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)(C)C)CCO2)C1 1832315981 SIBMRQAMJKZFTJ-NRFANRHFSA-N 426.510 0.767 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1832446809 GXOIVXKTDUTQJB-JKSUJKDBSA-N 426.457 0.675 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832880189 BCDNUPXBPORODB-VGSWGCGISA-N 432.521 0.803 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833754786 FXBYLEDBJRNFII-JPHKLTHBSA-N 447.488 0.991 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)nn3C)CC2)CC1 1833956098 YDTUQBXPCDBEJL-MRXNPFEDSA-N 431.537 0.652 30 20 ICED N=C(N)SCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099105 ZUONRVDVJBNRGG-NRFANRHFSA-N 430.530 0.511 30 20 ICED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)nc2s1 1835354923 KAIGAFYLPHIRRV-LJQANCHMSA-N 432.506 0.402 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1835682181 AVQZCPKGXCEUIN-JBYIUTFZSA-N 436.553 0.276 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c1 1836064655 VEDZIYTXSVVQFM-QHCPKHFHSA-N 437.500 0.913 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836371522 YEWUSDORRIPSDO-PMACEKPBSA-N 447.624 0.232 30 20 ICED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(C)C 1837212458 AKEYBIMYPIOLQT-ABSDTBQOSA-N 430.567 0.985 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1837382404 ZDQKRAPSVISYSL-OPAMFIHVSA-N 443.504 0.336 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837439655 ZMNQQYPGSARYOJ-JLDPKJTDSA-N 449.464 0.730 30 20 ICED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563356 XCQFEICQLZFQAM-CUDRYGEXSA-N 434.493 0.022 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837948807 AURJBFOAKXFMHQ-NRFANRHFSA-N 430.461 0.438 30 20 ICED COc1ccc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839022421 JXJVHGPZCSYXPQ-HXUWFJFHSA-N 436.848 0.507 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388321 NOBNTZLSSYMXJO-LAUBAEHRSA-N 439.509 0.089 30 20 ICED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421805 MDEJYJYSQDMBKC-JOCHJYFZSA-N 441.463 0.973 30 20 ICED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nc2nccn12 1839549579 CQRZGPCHYOJOJG-QFIPXVFZSA-N 438.488 0.802 30 20 ICED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578683 LVDADUIWYQUGKF-OAQYLSRUSA-N 444.513 0.609 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ccccc34)C2)C1 1840041888 NMCOCQGHPXOMKE-QHCPKHFHSA-N 439.468 0.645 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840436608 QEHATPAXKIRZJY-WMZHIEFXSA-N 448.564 0.609 30 20 ICED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1)C(F)(F)F 1840497427 AHFBZQDARBWPSS-SFHVURJKSA-N 429.395 0.905 30 20 ICED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814266 YFTRCZQAKQBKCK-QFIPXVFZSA-N 438.488 0.802 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840851075 JDOUTQGCCQCRSV-QKLQHJQFSA-N 429.583 0.702 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2sc3nccnc3c2N)C1 1842990625 DVJMQWOGUNGPFW-PLNGDYQASA-N 426.502 0.949 30 20 ICED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1847071539 IJRACIOIDLIWLD-CVEARBPZSA-N 432.521 0.727 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847263023 TZGRXSMDZMLFMX-METBXFASSA-N 441.488 0.053 30 20 ICED COC(=O)[C@H](F)C(Nc1c(C#N)cnn1-c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 10384355 RHFRIZGLZFSCSQ-CQSZACIVSA-N 440.391 0.971 30 20 ICED N/C(=N/CCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCN(c2ccc(F)cc2)CC1 304751652 JNSXXULKEMZRCL-SFHVURJKSA-N 427.546 0.751 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 442368441 WIPXSMAOVFZZEN-CRAIPNDOSA-N 448.545 0.949 30 20 ICED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 442402349 DNCGKBIKGUWBFD-UHFFFAOYSA-N 434.474 0.852 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 443744088 KKFQULNFAVBJAA-UHFFFAOYSA-N 447.439 0.783 30 20 ICED CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 443944201 PGEBMDNRVOCJBG-UHFFFAOYSA-N 447.970 0.156 30 20 ICED CNc1cc(N2CCC[C@H]2CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ncn1 464613690 CMDUJYJTTFBHIP-INIZCTEOSA-N 443.533 0.796 30 20 ICED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 471153370 ZPXHOAQXAXZSNQ-NRFANRHFSA-N 440.592 0.928 30 20 ICED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 478033578 CKOONRCUUGUBBG-UHFFFAOYSA-N 442.545 0.781 30 20 ICED CC1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 482597953 PNSIHLACNKTHDL-UHFFFAOYSA-N 434.518 0.530 30 20 ICED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1F 483958568 HZPJWAWBIVMTLN-UHFFFAOYSA-N 438.506 0.851 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](S(=O)(=O)N4CCCC4)C3)CC2)o1 487171941 MGMFVWVEQNVKJA-INIZCTEOSA-N 436.538 0.003 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 493901099 QZYVNVDHOXUWQG-SFHVURJKSA-N 448.545 0.980 30 20 ICED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 510324165 OXULNCQTLNCQOJ-CQSZACIVSA-N 448.505 0.919 30 20 ICED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 511676971 DCUBEBPFVOQURZ-INIZCTEOSA-N 448.545 0.837 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccccc2F)c1=O 512743627 YEHOHWBHPIPDOM-UHFFFAOYSA-N 441.488 0.520 30 20 ICED COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)O1 513025761 JYCYIKKOWRJCDB-LIRZEXBASA-N 435.502 0.889 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 516445766 RRPPDMYLPPZQKC-UHFFFAOYSA-N 429.477 0.503 30 20 ICED N#CC(C(=O)c1cc(F)cc(F)c1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 520498258 PHHLWBJSXLCBFF-UHFFFAOYSA-N 440.387 0.524 30 20 ICED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n(C)c1=O 521037188 HCLQLDRFKCAFSI-CQSZACIVSA-N 439.451 0.230 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccn2)c1=O 522283716 JPHXFICWZYGAGA-UHFFFAOYSA-N 441.557 0.008 30 20 ICED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2)c1=O 537830950 SNMZNZDRDKBEKG-HXUWFJFHSA-N 445.483 0.746 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(c4ccccn4)CC3)C2=O)cc1 559900866 DPBBOXMQOFFPMO-HXUWFJFHSA-N 446.511 0.956 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 576785573 BQOZMECMYSBZBP-HNNXBMFYSA-N 426.433 0.177 30 20 ICED C=CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 581837857 LUMKJARLFUOELS-OAQYLSRUSA-N 430.549 0.951 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC(N)=O)cc3)CC2)cc1 589622394 RKDCRGXEAXEPHT-UHFFFAOYSA-N 441.513 0.802 30 20 ICED N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 603643772 YGNOPTDZPQURLD-UHFFFAOYSA-N 433.494 0.639 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(=O)N(C)C 604270513 UVSCLDYLCGDMAP-UHFFFAOYSA-N 438.962 0.741 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccc(C#N)o2)c1=O 608474563 JVOGHBRAOFFQCP-UHFFFAOYSA-N 432.461 0.849 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2CCN(CC#N)CC2)cc1 609330412 OJJJMPRPDGQVDY-UHFFFAOYSA-N 438.550 0.688 30 20 ICED C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(=O)N1c1cnn(C)c1 610308536 YUFGKVDCYDGAHR-SUMWQHHRSA-N 430.490 0.536 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 725764492 WCYMJEZFBVBLOB-UHFFFAOYSA-N 429.546 0.422 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O 726041053 YPOXXWVKVGOHJD-UHFFFAOYSA-N 438.322 0.701 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 728570824 NSBRUISJUTWBRY-HXUWFJFHSA-N 428.533 0.734 30 20 ICED CC(=NNC(=S)NCCCN(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 731931000 VZLPETSIUMFVSY-UHFFFAOYSA-N 427.596 0.847 30 20 ICED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732798518 ZKYZDEPTRXLQPB-UHFFFAOYSA-N 445.545 0.668 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 733148865 LHPXLMCAZBOYOJ-LJQANCHMSA-N 427.484 0.188 30 20 ICED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(N3CCCC3)nc2)CC1 734751407 UBZWFVMIOJQRJB-UHFFFAOYSA-N 430.538 0.854 30 20 ICED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829742 JMRUMJHEIPFMII-UHFFFAOYSA-N 434.861 0.370 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2scnc2C)c1=O 743726392 PJNMFDKBXCXFQD-UHFFFAOYSA-N 436.559 0.367 30 20 ICED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 744032729 WKGSQMMLVYQBIT-BNDVLBTASA-N 439.424 0.658 30 20 ICED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 744709030 HQBNQIPWRMWJBO-CYBMUJFWSA-N 425.463 0.265 30 20 ICED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3CC)c2=O)c1 753788124 JKYLOWJUYKLANB-UHFFFAOYSA-N 429.505 0.878 30 20 ICED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 756763348 YWSOBIVFUCNTPW-JTQLQIEISA-N 425.854 0.794 30 20 ICED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1 757587281 JWPBSQZXXPMSHE-JSGCOSHPSA-N 425.511 0.764 30 20 ICED CNS(=O)(=O)c1ccc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 761728119 UBSHFTGCWHIDBR-UHFFFAOYSA-N 433.471 0.883 30 20 ICED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c2ccccc2O1 762003986 AFDPSZLJANOYLA-UXHICEINSA-N 434.452 0.998 30 20 ICED C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 766337732 ZUZRQSWJORDGFS-WBVHZDCISA-N 447.561 0.269 30 20 ICED CCOC(=O)N1CCC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 775039144 RKYVACOUHRCSAX-UHFFFAOYSA-N 428.493 0.775 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(c3ncc4n3CCCC4)CC2)c1=O 788383108 VRZXLXRWHYOTEK-UHFFFAOYSA-N 426.521 0.914 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)n1 789786852 AWEHURPOGVHFDP-UHFFFAOYSA-N 438.488 0.655 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@H]2CCSC2)C1=O 794440189 BJGYGNVTZVKAEW-IJVAKHEJSA-N 442.588 0.776 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CCC1 805919696 MLFLRQWFTVDMIW-UHFFFAOYSA-N 425.532 0.670 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917761516 WJDQIABAPBQNHQ-UHFFFAOYSA-N 429.546 0.633 30 20 ICED COCc1ccccc1CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 919034170 MHRMKLLCKQGXBC-UHFFFAOYSA-N 431.470 0.843 30 20 ICED N#Cc1ccccc1S(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1116296768 WRXAJBGZSWMTLJ-UHFFFAOYSA-N 428.474 0.282 30 20 ICED CSC[C@@H](C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122506321 KBYSOIOQJMXBPN-UKRRQHHQSA-N 429.564 0.190 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1288869592 IQARKWUSSWTXBF-IXDOHACOSA-N 439.586 0.882 30 20 ICED CC(=O)N1CCC(NC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)CC1 1320498032 PHLFPJGHKBGOCW-IBGZPJMESA-N 437.504 0.838 30 20 ICED COc1ccc(OC)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1504299741 MIJKKDOOVKWDMC-RHSMWYFYSA-N 447.517 0.974 30 20 ICED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1512393598 KGJWREZNJHQPTF-INIZCTEOSA-N 440.504 0.937 30 20 ICED CNS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517624999 GQLKHGCMYGSMEF-QGZVFWFLSA-N 429.550 0.979 30 20 ICED N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)CC2=O)cc1Cl 1556961749 IZRBGLXJKJOICK-XYPHTWIQSA-N 437.905 0.979 30 20 ICED N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1620356315 WIELKDOINYEFEP-HNNXBMFYSA-N 427.490 0.980 30 20 ICED N#CC[C@@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1630966323 MPRNNBWJTXKVGJ-HXUWFJFHSA-N 435.502 0.736 30 20 ICED COC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccc(F)cc1F 1643220303 ZQZYQCHEBCGAHO-LSDHHAIUSA-N 432.383 0.904 30 20 ICED C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1723772286 KIEDSGHTMLZXFI-OYHNWAKOSA-N 436.520 0.997 30 20 ICED Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 1724968601 QISJZGDZTABTEG-DOTOQJQBSA-N 447.569 0.270 30 20 ICED CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1728601704 IKKMKFXHUHFFPB-MSOLQXFVSA-N 438.584 0.989 30 20 ICED CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747416710 GGNDBMZGODTQEE-SFHVURJKSA-N 429.550 0.875 30 20 ICED CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1748443381 YAWFMXSRQJJBHT-BZUAXINKSA-N 428.559 0.878 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976454 JIWIBHIOOXPGQL-QHCPKHFHSA-N 437.500 0.871 30 20 ICED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779017543 QURTVMPTRMCEBM-AXDLBROPSA-N 425.493 0.873 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171026 HZGUBKKFNZBDSV-SBUREZEXSA-N 425.485 0.978 30 20 ICED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)[S@](=O)c1ccccc1 1782015365 MWCYOPLIVQSMBI-DOEQHXMRSA-N 446.525 0.785 30 20 ICED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)s1 1787055627 MQZOYFYLTUKTRI-JYJNAYRXSA-N 434.566 0.651 30 20 ICED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-n4cccn4)nc3)[C@H]2C1 1788981986 KIFKFQDBWIRTHA-LEAZDLGRSA-N 437.500 0.899 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789140544 HXDGPBLAZCCWBZ-RVKHQLRBSA-N 438.488 0.181 30 20 ICED Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791634578 IOYCNOKLYDCFMQ-IHPCNDPISA-N 444.580 0.841 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[S@@](=O)c1ccccc1)C2 1793346352 MLLWGNBZCUXWQK-QITMBHFCSA-N 432.542 0.811 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cc(F)ccn1 1794023437 DFSHOAXONKYXCE-JLRLZTEKSA-N 430.480 0.601 30 20 ICED COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cn1 1795598287 OBSYMBWEXMINSY-RMFSNUHRSA-N 443.548 0.894 30 20 ICED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1795893677 IMXNWQPSCUICRK-PJVZLEMVSA-N 449.548 0.913 30 20 ICED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1797740888 ALUNSPZIBZNPEY-LHUDAYIPSA-N 425.493 0.404 30 20 ICED O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797886631 FGYIZSQBTWKAAP-DBGBFXKQSA-N 445.476 0.139 30 20 ICED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)N1CCN(C)CC1 1798497197 SORGQTRKQQQVII-QBQOZBNRSA-N 435.569 0.790 30 20 ICED Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c(O)n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c1cccnc1 1802479742 BFQCOTUSMUTDHY-CJYFZIHLSA-N 443.504 0.009 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1803552685 IJYKZWDIGNNYSM-KUDFPVQQSA-N 439.472 0.700 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807024000 KUVICKZCBSOFKX-HFTRVMKXSA-N 440.437 0.403 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@H]1c1cccnc1 1808440321 LFIUQWIZSDTILM-QKLQHJQFSA-N 446.504 0.660 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811585794 RHHPBHBHCZMNPT-ZEUIOTOJSA-N 439.472 0.740 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232112 MOWSVSPSAZNVBX-JSGCOSHPSA-N 427.398 0.165 30 20 ICED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1)C(=O)O 1819773946 DBDWPIMYSFXOKK-UWUAPECKSA-N 436.538 0.590 30 20 ICED O=C(C#CC1(O)CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819842223 WXANJZMEMJEDLH-OCCSQVGLSA-N 432.502 0.862 30 20 ICED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1822922066 AGINRJMSMLFNOZ-RYUDHWBXSA-N 437.522 0.157 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1828268345 WMPNCPUUNJAABU-GXTWGEPZSA-N 440.481 0.962 30 20 ICED CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456305 JBOLMABZPGHJBK-QFIPXVFZSA-N 428.489 0.083 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1831418424 BYXFSWVKJWMKOP-MONBJTKQSA-N 446.500 0.874 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1831431996 INFGYUJUANIWPU-YCRPNKLZSA-N 433.461 0.471 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1831437749 HLEOMKSUQSHDNQ-IIBYNOLFSA-N 426.510 0.623 30 20 ICED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1831638794 GZPQHJYJGLPKLF-VGOFRKELSA-N 431.489 0.676 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CCO2)C1 1832353791 LBPVVZYQZODDJS-HXOBKFHXSA-N 446.548 0.784 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1 1833465409 DTKUMMYPAAECIA-QGZVFWFLSA-N 438.532 0.953 30 20 ICED Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834367273 QIZQUPQMVIRXLB-JOCHJYFZSA-N 431.489 0.752 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834775162 UJUDKHGLAOYRQE-BXKJMJEDSA-N 438.477 0.072 30 20 ICED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834794215 YLZRCHUKDZONLF-UHFFFAOYSA-N 437.504 0.016 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835134116 DBPKVUZZMHLFAK-HHEUTOACSA-N 449.596 0.791 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134480 HKGAEKKACPEJKK-CVDCTZTESA-N 437.581 0.892 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344768 SYGKQUQLLBCHCZ-HSZRJFAPSA-N 440.500 0.776 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652330 XTAXJUZUQXKPKS-AUUYWEPGSA-N 428.555 0.033 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835840489 SKSRJPIDMURLNF-OXJNMPFZSA-N 438.569 0.300 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2)c1cccs1 1836167107 JDXDPSZIWJTYKF-FNEOHHHZSA-N 444.513 0.840 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836234181 MZLBZOKWXQWWTO-YCRPNKLZSA-N 435.452 0.338 30 20 ICED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297275 RHMPKBDOZXFPRR-PKTZIBPZSA-N 441.484 0.981 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837440951 INMSPYAFSDVMOS-DZQSVEARSA-N 443.548 0.942 30 20 ICED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837524949 JTAGPQHRVIWMSD-DWFIAKGDSA-N 427.498 0.397 30 20 ICED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1C 1838833264 KQWNNBDUPIANPM-QHCPKHFHSA-N 438.484 0.550 30 20 ICED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419329 WFTCWUFKVIARFC-SIKLNZKXSA-N 446.479 0.682 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5=COCC5)C4)C3)c2c1 1839489291 QEISWPKNIUXNKL-QFIPXVFZSA-N 437.456 0.809 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)c4n[nH]cc4c3)CCO2)C1 1839509934 MXDVMCQGAIPBTH-SBUREZEXSA-N 440.500 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559525 MPYHOQLFYRAQIB-VGSWGCGISA-N 426.473 0.443 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839889208 ITCCGFFFKQNHMM-OAHLLOKOSA-N 444.353 0.760 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1)C(F)(F)F 1839893317 RLLVAEJALPSYDM-MRXNPFEDSA-N 432.355 0.076 30 20 ICED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840039498 VFPUAGVQJYKQIW-URZJWIJPSA-N 448.520 0.756 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)COCCOCCOCCOC)C2 1841611800 LFILYICBLCCSFA-SFHVURJKSA-N 428.526 0.477 30 20 ICED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1845411107 IXEWSZNMUUODBK-UHFFFAOYSA-N 430.530 0.300 30 20 ICED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846212310 VBWIYEYEHHNSGZ-CQSZACIVSA-N 434.493 0.950 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 30568043 VRNSNXVDXDKYFX-UHFFFAOYSA-N 428.470 0.569 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)o2)C1=O 410118992 NELHANLNIFJERG-IYBDPMFKSA-N 428.489 0.997 30 20 ICED COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 434794722 NRDFBCAAAHSWIO-ZWKOTPCHSA-N 436.534 0.175 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(I)cc2C)C1=O 440666201 OCYGWGNUVPYCRO-UHFFFAOYSA-N 428.186 0.910 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 442241079 PMYIRJAXVFQOET-UHFFFAOYSA-N 436.424 0.689 30 20 ICED CCN1CCN(c2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)CC1 446525300 XAKUYJWGCOVKFK-UHFFFAOYSA-N 442.564 0.841 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463384974 PCJNQUAACHJDGM-JKSUJKDBSA-N 428.536 0.469 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 471039139 DPDVTLWVVRBWRG-YMMPFGLASA-N 434.456 0.190 30 20 ICED Cn1c(CC#N)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 477034047 GRGQPAQNWJODMW-UHFFFAOYSA-N 436.519 0.633 30 20 ICED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)cc1 480937400 WZMBUWUVMPJIDB-UHFFFAOYSA-N 436.493 0.616 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cc1 484388347 LMYNAIBZQBBPMZ-OAHLLOKOSA-N 429.520 0.125 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 491196933 CWGFTGUWSZMEFX-QGZVFWFLSA-N 448.495 0.768 30 20 ICED Cn1c(=O)c2ccn(CC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2n(C)c1=O 504126529 BOACPBKBWVYTOF-KRWDZBQOSA-N 434.456 0.222 30 20 ICED COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)n1 508351162 VAOCFOWZAXEKGR-UHFFFAOYSA-N 444.839 0.797 30 20 ICED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 509940985 VUNXYCOLFFPSAH-MRXNPFEDSA-N 437.522 0.695 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 514628204 BWHPZNWJSXQBCN-MOPGFXCFSA-N 437.500 0.389 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 514645546 NJCBBGNGWXCQQA-UHFFFAOYSA-N 438.553 0.356 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2=O)cc1 517197850 BEFJWDLLKNVRDR-OAQYLSRUSA-N 447.495 0.830 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 518905629 ZJEHTNZEPOPJNA-UHFFFAOYSA-N 436.396 0.854 30 20 ICED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)COCC4=O)c3)C2)nc1 521281257 LSRMANAAJOXURR-QGZVFWFLSA-N 449.423 0.461 30 20 ICED N#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 522205904 MTLWRIWWKSLPAJ-UHFFFAOYSA-N 437.478 0.472 30 20 ICED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2F)c1=O 522284242 XJYIPJYEUBSCJC-AWEZNQCLSA-N 433.505 0.740 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 531939688 MADIHBFTHXIQNF-FKIZINRSSA-N 441.469 0.918 30 20 ICED C=CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)[C@@H]1CCS(=O)(=O)C1 532718195 XYQKTXVYOXYOEY-HXUWFJFHSA-N 433.574 0.941 30 20 ICED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 533515479 QOCNSMUBTGNCQD-KRWDZBQOSA-N 437.566 0.291 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 543536990 XUHGCYOJFNADQG-UHFFFAOYSA-N 433.472 0.766 30 20 ICED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 543869743 HSXNZNNPWCFOIH-UHFFFAOYSA-N 440.462 0.751 30 20 ICED COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552939104 AAVNIYJPKWIBKT-MOPGFXCFSA-N 427.505 0.002 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)cc1 553748635 AFHQHIBANWJURR-MJGOQNOKSA-N 445.545 0.915 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 559779321 JIHZKYXGOLAFJT-SFHVURJKSA-N 437.504 0.734 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 565973619 OXBNOPLDLGLBIJ-NRFANRHFSA-N 439.491 0.873 30 20 ICED CCc1cc(N2CCC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)ncn1 572925581 NKQQUCVCSZBHJQ-KRWDZBQOSA-N 428.518 0.974 30 20 ICED C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573888722 WYZGAZCRUQHNEZ-AWEZNQCLSA-N 442.439 0.992 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](C)S1(=O)=O 575373378 OJGFXOSOZMGQNI-RYUDHWBXSA-N 435.893 1.370 30 20 ICED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 580742834 LYAZMRNRORGYRT-HNNXBMFYSA-N 432.554 0.549 30 20 ICED CS(=O)(=O)c1ccc(F)c(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 583352060 DBUPDMPPAYHXSC-UHFFFAOYSA-N 442.432 0.936 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C)n2)c1=O 590903504 MWWIUKDESYNWAO-UHFFFAOYSA-N 436.559 0.367 30 20 ICED Cn1c(=O)c2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cnc2n(C)c1=O 603733650 MOTIAHMPVYRBQT-UHFFFAOYSA-N 427.442 0.057 30 20 ICED N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)cc1 726586666 MOSBWGKWUSGZKA-UHFFFAOYSA-N 433.472 0.596 30 20 ICED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 732468295 KLGNQHMYUGTJEL-XTPAXOCXSA-N 446.552 0.535 30 20 ICED CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 733202946 YVLAMXYVNDCSJO-RISCZKNCSA-N 440.547 0.676 30 20 ICED CC(=O)NC[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 735567217 FRRJLRHFBQNWKF-NLFAIWHDSA-N 437.522 0.868 30 20 ICED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 735580028 JKRHBDCGVTXWJO-ZBBYCGENSA-N 427.509 0.418 30 20 ICED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1OC 749982165 ZGSLZEVFTMNSFP-GOSISDBHSA-N 425.463 0.334 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)cc1C#N 752408820 QQYPKMZAGQOZQE-HNNXBMFYSA-N 431.449 0.819 30 20 ICED COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1S(N)(=O)=O 756890926 LKUGJSQHCTWLGX-VHSXEESVSA-N 430.508 0.893 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C[C@@H](C)O1 760329145 GCQJMDBGKLAEMZ-IAGOWNOFSA-N 436.534 0.630 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4c(c3)NC(=O)CO4)CC2)o1 771100015 GGOVDTGWHACVSZ-UHFFFAOYSA-N 426.389 0.086 30 20 ICED C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCN1c1nccn2cnnc12 771171073 LLLAYTGNHPSRPL-QRQCRPRQSA-N 445.487 0.931 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1cc[nH]n1 772125454 URVSTEGJJUSSEE-UHFFFAOYSA-N 429.433 0.805 30 20 ICED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)[C@@H]1CCCO1 773565379 WPFVFVWQTUMBPJ-SJORKVTESA-N 437.518 0.901 30 20 ICED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 775945867 CCHUILHRMTZUTC-FQEVSTJZSA-N 431.512 0.355 30 20 ICED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 783053441 LCJPYLRXNHFWRH-UHFFFAOYSA-N 437.566 0.619 30 20 ICED N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)cn1 786913411 UAGXQFPNZBKHAH-UHFFFAOYSA-N 447.542 0.905 30 20 ICED C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 794727849 XXGIKCWCYLAAMK-UHFFFAOYSA-N 442.428 0.563 30 20 ICED C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 800299786 NVOWPAOOIBFUGG-CLCXKQKWSA-N 435.502 0.748 30 20 ICED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 802577020 AZSRCHQARWCTMD-UHFFFAOYSA-N 436.534 0.584 30 20 ICED Cn1cccc1C(=O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 805651447 VCFFPLLVMVDJEK-UHFFFAOYSA-N 444.469 0.156 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CCC1 814254649 BKCQFXXMJBLBKN-UHFFFAOYSA-N 437.472 0.572 30 20 ICED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 815341178 CNAOECXPCIKROC-UHFFFAOYSA-N 447.473 0.556 30 20 ICED COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccnn3C)c2=O)cc1 914565007 PSYOKAFCNYJFEU-UHFFFAOYSA-N 435.509 0.767 30 20 ICED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 919033780 AWYSXKUXOOLJSI-INIZCTEOSA-N 429.454 0.500 30 20 ICED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921104106 PLDCSTVYKLIZAK-CYBMUJFWSA-N 428.536 0.917 30 20 ICED CCOCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921130726 CBVBDXKJKQEGFC-CQSZACIVSA-N 428.536 0.617 30 20 ICED NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1116181320 QCDTYMBIHNWNHA-JDAKFOBDSA-N 425.489 0.921 30 20 ICED N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1302987087 KWIWTESKZHSABP-WBVHZDCISA-N 428.518 0.953 30 20 ICED CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1313478781 KWHSECBOUJDDCV-UHFFFAOYSA-N 445.549 0.815 30 20 ICED CC(=O)N1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1339048613 RBTZMKAYSMSBHI-GOSISDBHSA-N 426.477 0.044 30 20 ICED N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1468557311 JLBHPRLMQUBOOH-YLJYHZDGSA-N 433.534 0.958 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1618469229 RHLOKYCGKPFFPV-QFIPXVFZSA-N 425.537 0.652 30 20 ICED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](O)(CC#N)C3)CC2)cc1 1654017266 UAHAOCVHZXPXHV-HXUWFJFHSA-N 434.518 0.073 30 20 ICED CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746432071 KQJJKFHBCNJSJU-DYESRHJHSA-N 432.548 0.982 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778416110 SQLQSHVSBXWUEV-UQQIOGDDSA-N 425.493 0.873 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778444928 DONISJOHWLHAII-ROMKBHBSSA-N 442.476 0.702 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779106267 ZKJVPCCMFNXQIG-DRRDTLGUSA-N 432.477 0.207 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)cc1 1780692370 GOZZAIDSKFKNGT-QHCPKHFHSA-N 433.468 0.827 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1780895777 SUEUVEHIMIEMNN-YCRPNKLZSA-N 434.514 0.945 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CCO2 1783056314 SVEWQQIWRKJPHQ-VXKWHMMOSA-N 446.504 0.605 30 20 ICED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)cc1 1783441433 PNFMCSKWOIOTCQ-UFYCRDLUSA-N 438.532 0.311 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1783530786 DREITYUPBRDKMJ-JDHQYPSRSA-N 438.488 0.181 30 20 ICED Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1784509570 SAZFRNJZNJOJEQ-ZFCBIQLQSA-N 447.536 0.938 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1785377457 INLSSCZTDZCTCE-HTAPYJJXSA-N 426.473 0.293 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cc(Cl)ccc4n3)[C@H]2C1 1787860517 JQIBWBXYRZHIFL-NOLJZWGESA-N 430.848 0.669 30 20 ICED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cccc1=O 1788601353 ZLJBOHMBDXEMFW-IOGVMZDASA-N 429.521 0.450 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Br)cn3)C[C@@H]21 1791076840 JMMBACYRBKGYGG-WHOFXGATSA-N 436.262 0.525 30 20 ICED C#CCCC(=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 1792173736 GRWDDVZHYJIOMA-OYSTVDSJSA-N 449.548 0.607 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1793572673 LLYFSQHKCSJMFZ-LVQVYYBASA-N 448.483 0.861 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409255 UVDWQFQJLLFRME-XOIINTDNSA-N 432.502 0.133 30 20 ICED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1 1795438780 WYFZDEHFGAXMOA-JHDGKUDLSA-N 426.517 0.413 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c(F)cccc12 1797485367 GHZIEDQEOQGFOV-LEDMXFKVSA-N 441.463 0.764 30 20 ICED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1)n1ccnn1 1799326718 ANMGHUPRWAHCQE-PJKMLTEKSA-N 426.452 0.682 30 20 ICED 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]3CCO[C@H]31)C2 1800454924 RKMWIWRSRGDKLU-WGEZERDCSA-N 447.532 0.481 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)C1 1804856146 QNCHFJWIXLUVTG-MJRGOJFPSA-N 436.509 0.141 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1810337888 PFDNBDFLYVTZIW-FHWLQOOXSA-N 442.472 0.886 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)[C@@H]1c1cccnc1 1812877962 SFZWVHJRBPFFFS-KSFYIVLOSA-N 447.451 0.858 30 20 ICED C[C@H](C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1)n1cnnn1 1813470813 ZVWIHFHADQAOPZ-NXHRZFHOSA-N 439.524 0.617 30 20 ICED CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1814560773 FHHOMOYAAMRCQX-OAHLLOKOSA-N 432.529 0.955 30 20 ICED CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)nc1 1822199710 XGGWXESFNBFCTQ-OAHLLOKOSA-N 445.457 0.602 30 20 ICED O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998490 HNCCMJQLDCFRNG-DOZBRYHWSA-N 448.564 0.605 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1)C1(O)CCC1 1829733436 NZRJPAZGZFDCQZ-UWJYYQICSA-N 436.553 0.276 30 20 ICED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758484 JFCXFIOPNFWLCQ-MRXNPFEDSA-N 431.465 0.861 30 20 ICED CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829901429 AROLTRHTCAVXAQ-QHCPKHFHSA-N 428.533 0.945 30 20 ICED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060735 RKLVEIQTDNUKGE-IFNMQTAJSA-N 444.488 0.763 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1831407332 VBDAGPSMVVCKQU-UWJYYQICSA-N 425.526 0.292 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CCN4C(=O)C=CC4=O)CC3)CC2)CCC1 1833615987 JNAAKFYMYZBPBJ-UHFFFAOYSA-N 441.532 0.567 30 20 ICED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1833833919 CXCQUIOJMWPYNT-JOCHJYFZSA-N 437.456 0.632 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C)n1)CCO2 1834046189 HGEVSXAHWHQLLS-RHVSLNNASA-N 428.489 0.318 30 20 ICED Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1834283998 VBBPVOROGHXSMZ-YQNSVDCASA-N 429.521 0.932 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccon5)CCO4)C3)c2c1 1834490702 UCEGGXMCIDPHRR-NRFANRHFSA-N 436.428 0.806 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1CC)CCO2 1834520752 DUGMATFVMMMFQE-OAQYLSRUSA-N 435.477 0.816 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1 1834739114 FVGHXFWGCLFMNI-ZWKOTPCHSA-N 438.569 0.194 30 20 ICED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356770 KXWXVRVQMNYUKD-JOCHJYFZSA-N 428.489 0.776 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1835682697 REJUUYYZJMQSSV-VWXURSGXSA-N 434.562 0.600 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNc4ccccc43)CCO2)C1 1835707986 BFLYZGKGIAPYAQ-BOCKYXSRSA-N 427.501 0.690 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCN(C)C(C)=O)CC2)CC1 1835713957 FYTVDUKMOAGFOE-FQEVSTJZSA-N 436.597 1.000 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835714190 YQGGJNGZHGZYFB-AQWUKCDYSA-N 446.592 0.966 30 20 ICED COC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732510 ZPJWFGRNLSEYGN-HAVVHWLPSA-N 435.569 0.983 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973286 AFDAEYRQIVHFKR-YUTJSNEMSA-N 449.895 0.705 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)CC1 1836859386 XTLPLSGDXRYQKC-MSOLQXFVSA-N 431.537 0.951 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nn[nH]c4C(F)(F)F)CCO3)C2)CC1 1838763900 WNGCTNHCJQFFJO-INIZCTEOSA-N 428.371 0.197 30 20 ICED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n(C)n1 1839227134 KEBCSBZNTKKFNZ-IIBYNOLFSA-N 435.525 0.853 30 20 ICED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362319 LJUSZVILSDFSQE-NDEDVSTASA-N 441.484 0.942 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839378234 WRKOEDFTJUPQBH-QFIPXVFZSA-N 432.473 0.893 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)c1 1839451626 GOZIREDVBWIPES-QHCPKHFHSA-N 440.500 0.559 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839887518 GYNBQQSPGWEZMV-MRXNPFEDSA-N 429.380 0.599 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1)C(F)(F)F 1839891407 CZXUUZOCFSVAAW-WBMJQRKESA-N 442.456 0.242 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1)C(F)(F)F 1839893233 SDWDNSLLLLNJGL-DNVCBOLYSA-N 443.422 0.984 30 20 ICED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379781 KXMNSKAQMSYJIV-NRFANRHFSA-N 441.513 0.405 30 20 ICED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840821002 VKXPLFOZZISVLK-QHCPKHFHSA-N 444.532 0.734 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1844000057 ZZSJTADMTCTXAJ-UHFFFAOYSA-N 448.483 0.784 30 20 ICED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)n(C)c1=O 25940704 HWPKOWAFUDPRLE-UHFFFAOYSA-N 425.493 0.057 30 20 ICED CCCNC(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 29218746 VKMUFBJNYGGILU-UHFFFAOYSA-N 435.550 0.599 30 20 ICED COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 410173585 ZIGZGECSWSBVFH-UHFFFAOYSA-N 425.493 0.189 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCC1 430992295 YBRRKBHKBODJPY-UHFFFAOYSA-N 428.470 0.809 30 20 ICED Cn1cc(-c2n[nH]cc2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 435878995 ABBGMFXSFSVBSX-UHFFFAOYSA-N 425.474 0.829 30 20 ICED CC1(C#N)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 435931101 SHJRSSNQZKHYPN-GFCCVEGCSA-N 432.424 0.990 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cn1 439102971 UQFAUEXYUCQYEY-UHFFFAOYSA-N 427.430 0.093 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1=O 440251081 ARCOAHYSOTXNEN-QGZVFWFLSA-N 434.518 0.105 30 20 ICED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 445178247 JISVOCFAWZBOBF-UHFFFAOYSA-N 428.449 0.769 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 446526256 HNBLPBDPCFOIAJ-UHFFFAOYSA-N 447.448 0.769 30 20 ICED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 464826125 YXEGQGLZFZZPCB-AWEZNQCLSA-N 429.506 0.677 30 20 ICED Cn1c(=O)c2nc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)[nH]c2n(C)c1=O 471014012 HFWFAMRKCPCZES-OAHLLOKOSA-N 427.896 0.996 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 472024065 DJXJXZGKEJZBMK-INIZCTEOSA-N 425.470 0.904 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 480468244 IEXCVDRLDPTBGO-CQSZACIVSA-N 447.517 0.596 30 20 ICED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 483882973 MTLZOQHOWJOULX-UHFFFAOYSA-N 435.550 0.961 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCOC2)c1=O 505660457 JMAPKXVFQRVSCM-OAHLLOKOSA-N 441.557 0.550 30 20 ICED C=CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 513602573 HSHLPIZPWKCHTL-UHFFFAOYSA-N 427.548 0.990 30 20 ICED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 516427725 DWKTVAPLEYTTGL-UHFFFAOYSA-N 436.472 0.964 30 20 ICED CC[C@H](CCNS(=O)(=O)c1cncc(C#N)c1)NS(=O)(=O)c1cncc(C#N)c1 519605639 CDXIGKJFAYVBOA-OAHLLOKOSA-N 434.503 0.645 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 523089495 HQJJCQQJFCOUCS-UHFFFAOYSA-N 437.468 0.490 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 524263571 XPQBAAMAHZLPIR-UHFFFAOYSA-N 430.486 0.850 30 20 ICED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 525771987 QMPKFYCHDASZAF-UHFFFAOYSA-N 448.526 0.676 30 20 ICED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1=O 542755467 BDYWCGAGWMFALY-AWEZNQCLSA-N 431.536 0.864 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1cccc(C#N)c1 554585125 ZOWSLGROZIUIMV-LJQANCHMSA-N 449.554 0.999 30 20 ICED CC(C)(C)c1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)n(-c2ccc(C#N)cc2)n1 556561172 QDIGHUDZUYMNTE-UHFFFAOYSA-N 437.460 0.648 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 563762621 AXFAMENYZPCOEO-SFHVURJKSA-N 428.533 0.678 30 20 ICED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 565060487 SYMVVZRVRFHFOO-KSZLIROESA-N 431.514 0.967 30 20 ICED N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 567223252 CPEPEYRWDATYOJ-OAHLLOKOSA-N 441.517 0.970 30 20 ICED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 580013593 XHYPUUNAKANGMW-GOSISDBHSA-N 439.472 0.836 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)c1 580015530 OSDDDXRTSUWSFW-UHFFFAOYSA-N 447.517 0.598 30 20 ICED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)n2)c(Cl)c1 583055969 XYLPJDHIGIKKDC-CQSZACIVSA-N 441.879 1.398 30 20 ICED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCCc1[nH]nc(N)c1C#N 603651517 HSYBNWTXGOAYSF-UHFFFAOYSA-N 434.526 0.934 30 20 ICED Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1S(=O)(=O)NCC#N 609559858 XVBXSSUWZYAXHJ-MRXNPFEDSA-N 441.513 0.905 30 20 ICED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H]2CCCO2)C1=O 726403771 NAOBFLZKBPZBMI-UMSFUGNGSA-N 440.547 0.449 30 20 ICED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2csc(Br)c2)c1=O 729672755 GXBNQPQKWPBVIA-UHFFFAOYSA-N 444.357 0.805 30 20 ICED COC(=O)[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 740203060 HYJGOSOXEGHDDO-MRXNPFEDSA-N 425.401 0.153 30 20 ICED COC(=O)c1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)c(OC)c(OC)c1 743897185 SXPXUDFVZMYYNT-UHFFFAOYSA-N 427.417 0.924 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 744089890 WZWJSVCMKSFJNH-UHFFFAOYSA-N 440.525 0.677 30 20 ICED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)n1 748433508 ILHKNZSKONURTK-LLVKDONJSA-N 427.442 0.739 30 20 ICED Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)cn2n1 750212079 KSGNQPXZSNYOGY-UHFFFAOYSA-N 425.405 0.005 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2=O)cc1 754421643 QJQYVIVUAKLURB-ICSRJNTNSA-N 430.468 0.896 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cc(C(N)=O)cn1C 756251720 IQXKOZHPWQQVGC-UHFFFAOYSA-N 437.412 0.661 30 20 ICED CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 762544906 GKZRBBGVJWMYNX-ADSWHHSESA-N 449.533 0.565 30 20 ICED COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)ccc1[N+](=O)[O-] 770659237 VAOFRFMICCXSHS-UHFFFAOYSA-N 447.432 0.941 30 20 ICED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770886269 MPJFXLTZTRXASA-NSHDSACASA-N 434.424 0.925 30 20 ICED CN1CCN(CCCNC(=O)C(=O)NCCNc2ncccc2C#N)[C@@H](c2ccccc2)C1 787774308 GWSODSDQSAFSDC-OAQYLSRUSA-N 449.559 0.976 30 20 ICED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787774888 LPPRAQHNTIGPNX-UHFFFAOYSA-N 445.524 0.150 30 20 ICED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 789118233 NTEOAIDPIVKJAP-HXUWFJFHSA-N 428.445 0.850 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21)c1cc[nH]n1 789963750 MRODSSVCURQLBS-UHFFFAOYSA-N 435.462 0.191 30 20 ICED C#C[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 806144991 ZKFPROYPMGQPBV-KRWDZBQOSA-N 449.577 0.993 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c(C(F)F)n1 812275277 GWSMYWITAGAGMQ-UHFFFAOYSA-N 425.486 0.196 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCOC 812933322 ZSYPPSSAIPDPSA-UHFFFAOYSA-N 445.541 0.529 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCN(C)C)CC1 842319918 GZWLBODZOKVIIW-SFHVURJKSA-N 435.594 0.990 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOC 916200763 PESJMGJVMJTJAG-UHFFFAOYSA-N 429.498 0.379 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)c1 918244510 XEYKIXUMBSDHHU-KQWNVCNZSA-N 435.506 0.080 30 20 ICED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 918286485 COAIWSWMYLMSIJ-CJLVFECKSA-N 435.506 0.177 30 20 ICED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H]1CCS(=O)(=O)C1 919988078 JOTWBDCDFSYVQV-AWEZNQCLSA-N 446.522 0.662 30 20 ICED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 920464273 CHMKPXOJJKOWAN-OAQYLSRUSA-N 439.476 0.730 30 20 ICED CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1305526165 ZNPWNZQRBSWFTM-HNNXBMFYSA-N 432.554 0.934 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N(C)C 1541674259 UCXYOLXWUUXATN-UHFFFAOYSA-N 439.524 0.488 30 20 ICED CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1552870847 KZFFSTDDLLASQW-RBUKOAKNSA-N 439.520 0.947 30 20 ICED N#C[C@H]1CN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1555993200 KOKJCJPYVIFGMC-INIZCTEOSA-N 435.510 0.772 30 20 ICED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)CC1 1611773477 PMDJSMSFTAFGOJ-UHFFFAOYSA-N 425.497 0.684 30 20 ICED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1742713347 NGOAAQZCZCKNSW-QFBILLFUSA-N 428.541 0.837 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC(C)(C)C1 1751204435 OZQGJYTYLCWQTI-HUUCEWRRSA-N 427.575 0.737 30 20 ICED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1767439372 MNAVDPTVAUWVIO-PMACEKPBSA-N 436.488 0.621 30 20 ICED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778908809 PYUOMBKHFCUAEN-NFBKMPQASA-N 432.565 0.631 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1778971894 NXEIJJUQDNRCQE-JPYJTQIMSA-N 427.501 0.947 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C(N)=O)cc3C)C2)C1 1779008335 PVHWUSMLDFHXSF-UZUQRXQVSA-N 427.501 0.884 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779062925 NBUXVULBVXAJEC-IBGZPJMESA-N 428.432 0.625 30 20 ICED CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1779100460 CDCVZSAGPGSZEO-FDAWLNKWSA-N 435.481 0.713 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnncc2C(=O)O)C3)c1 1780180831 SVGQGCQREKBWIR-DYESRHJHSA-N 438.444 0.816 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1781799281 KQOUBGOBSKQMMI-CZUORRHYSA-N 439.396 0.437 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858889 OPLYOAIOYNBTNP-GXZWQRSESA-N 441.525 0.233 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1782010456 PDXBGRWOMIQKEY-IIYNWBAKSA-N 437.452 0.624 30 20 ICED CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010813 FTTSYBYETWWZIC-YOSAUDMPSA-N 439.512 0.645 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn3c1CN(C(=O)OC(C)(C)C)CC3)CCO2 1783051657 HZXDOUDNMZEGOB-QFIPXVFZSA-N 443.504 0.711 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21 1783530874 PKHJFFPVMNURJE-OIMABFAESA-N 437.500 0.786 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1785079929 PTLROFOZWZKBQC-LDJQZATESA-N 427.505 0.350 30 20 ICED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788109256 FPJSWLHAPICRII-ULQDDVLXSA-N 440.566 0.187 30 20 ICED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793762222 ZJVHFBNWNSQGMR-CWPLJXCYSA-N 448.596 0.179 30 20 ICED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1795181961 ODHDCZMITTYOBC-DRXBFXEBSA-N 425.411 0.737 30 20 ICED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1)c1ccc(O)cc1 1797686523 GOCQIPJVBZUZQB-DBHNTLKXSA-N 438.484 0.355 30 20 ICED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2)N1CCN(C)CC1 1799183947 DAZADPJLGNXLLJ-DVWBAYGPSA-N 425.533 0.397 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnc2C)C3)c(C#N)c1 1799239788 MYDZDWFJVUGJBJ-BBIADKPPSA-N 437.500 0.904 30 20 ICED C#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]1CCOC1)C2 1802126233 JHTZCKYPKFGTFQ-JCECYMMASA-N 435.521 0.529 30 20 ICED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1802201863 OZJBVJZXAMFYNO-FQUUOJAGSA-N 431.530 0.853 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1803548330 JZOCRUGYVRRFIU-WMEZAQDKSA-N 432.477 0.190 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1804221971 JZOABGCVHIEGNQ-FCGDIQPGSA-N 429.448 0.599 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1810252430 IFMQFMBICSXVKK-XYJFISCASA-N 446.504 0.204 30 20 ICED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1810335055 AXOBUOJJHQDVDT-BJLQDIEVSA-N 430.461 0.886 30 20 ICED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879467 GGKLUFKFSBDAEI-KXBFYZLASA-N 430.461 0.700 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819361014 NTMQJXIFHPRFOW-IHRRRGAJSA-N 432.481 0.573 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669502 WCNJHWJCLMHPOZ-BDJARAPDSA-N 434.478 0.460 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819899404 VGPVIWPRXFEKRN-QSLAPCDASA-N 435.506 0.863 30 20 ICED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1)n1cnnn1 1819907909 ULTCNYWGVPCGOJ-NNUZQQSMSA-N 448.509 0.832 30 20 ICED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1825257388 MNSAISGOEZZFFR-LBPRGKRZSA-N 432.493 0.553 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccsc3)C2)C1 1829765170 JZHVGODGODESJI-DKYZEMOZSA-N 447.557 0.996 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1829773783 VSOXQENAEWJPFS-DHJFXDNESA-N 427.448 0.347 30 20 ICED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1829891443 BFVSRBCGJJPCKF-HSZRJFAPSA-N 426.517 0.970 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCOC4)C3)C2)cc1 1829908099 BCRFWIVOPHSFHH-NFBKMPQASA-N 427.501 0.984 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3OC)C2)C1 1831387605 RAXWFDTVMVOAKZ-JPYJTQIMSA-N 445.516 0.518 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1831392923 IGTIOLFLXYEJTM-KSFYIVLOSA-N 426.473 0.671 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831406591 YRQUOEOFFIFKOA-OAQYLSRUSA-N 434.493 0.538 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831407200 SGSQEKZUGNGKBY-JOCHJYFZSA-N 443.504 0.782 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1831407328 VBDAGPSMVVCKQU-LAUBAEHRSA-N 425.526 0.292 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831424309 HBFIGSDJXUUDTE-VFNWGFHPSA-N 429.477 0.619 30 20 ICED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1831512650 LWJKBKBCMNYMFK-HLXQBKSDSA-N 441.525 0.379 30 20 ICED COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832863567 SDUZTHCOEFOHIJ-JOCHJYFZSA-N 428.489 0.783 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833276080 FNCCQJMBSIRCDQ-QHCPKHFHSA-N 436.468 0.884 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756168 SUVADHPLMXBIKI-IERDGZPVSA-N 436.509 0.826 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1)CCO2 1835019710 PJNMRDLBEVTMNK-FUMRIQNTSA-N 445.491 0.683 30 20 ICED NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101581 AHDFSEOBPTZTNK-VWLOTQADSA-N 447.491 0.907 30 20 ICED O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1835752419 JRBXBEPHUTUACR-SFHVURJKSA-N 444.576 0.393 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837438990 CPELEENGSUAIPC-GWJNGDFSSA-N 447.561 0.912 30 20 ICED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550336 ZFROMOYLROAPMH-VFNWGFHPSA-N 434.493 0.381 30 20 ICED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793079 VLNKGRULHQFGKO-WMLDXEAASA-N 427.483 0.342 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1838621246 IPMDDSBHXZGORH-DLBZAZTESA-N 445.516 0.474 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 1839419889 AECIWZLDRNYUBB-DYESRHJHSA-N 430.436 0.046 30 20 ICED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839489417 UFTTYQQAZJAYHK-LHSJRXKWSA-N 427.461 0.539 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H]5CCOC5)C4)C3)c2c1 1839489517 ZTQNFSXDOHKGCM-OPAMFIHVSA-N 439.472 0.541 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1839801371 ICVWPUGLXNJJIQ-OAQYLSRUSA-N 434.514 0.112 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840040193 RIQVNVDHQIEURC-JOCHJYFZSA-N 430.457 0.091 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cc3ccccn3)CCO2)C1 1840330799 QGFLZFMRWKKNMI-YYDVJCTNSA-N 429.517 0.755 30 20 ICED O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840486697 SQXIYVCLRATOAV-SGUBNQQPSA-N 439.472 0.658 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CCC)NC(C)=O)CCO2)C1 1840851716 QLRZFXQXQHLQSU-MMOPVJDHSA-N 425.526 0.339 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 18392881 QAZJJQXBRKSJRD-GOSISDBHSA-N 426.495 0.257 30 20 ICED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 430036182 YDIJPGXKBBUIFA-UHFFFAOYSA-N 431.460 0.833 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 433502822 NEDASRZUFSRTFX-CQSZACIVSA-N 435.444 0.981 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 435201440 NFWSXLQNJQCFAW-INIZCTEOSA-N 443.489 0.104 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)cc1 435254044 NYJBAINOCVNVGA-INIZCTEOSA-N 438.550 0.611 30 20 ICED COCCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)C(N)=O 436131949 ZOQYVWHSFIHPGQ-CQSZACIVSA-N 430.465 0.277 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCOC1 441936026 PKRSHWSGGAWQCD-OAHLLOKOSA-N 427.526 0.984 30 20 ICED COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465483612 OCLQNHDQUNASEU-CQSZACIVSA-N 431.474 0.799 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCOC3)c2=O)n1 479366651 QAQBHMTXPNDNHV-HNNXBMFYSA-N 442.541 0.625 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 481804225 XYHJAQLFIUJPND-OAHLLOKOSA-N 435.550 0.284 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)cc1 484922677 CJEOTGPAQCJJNN-UHFFFAOYSA-N 449.489 0.748 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)n2)cc1 492580289 DPCZENPDMDCEID-UHFFFAOYSA-N 436.501 0.937 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1ccccn1 505665919 UZCADGPTLBXAFX-UHFFFAOYSA-N 434.525 0.395 30 20 ICED CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C2)C1=O 507800080 YEKBWGCXHCSRNM-KRWDZBQOSA-N 439.350 0.591 30 20 ICED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(S(C)(=O)=O)CCCC1 508174579 FWKYDOZTQZSRDL-UHFFFAOYSA-N 430.490 0.860 30 20 ICED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)n1 513249839 RWXAFYSVMHXEME-UHFFFAOYSA-N 425.424 0.838 30 20 ICED C=CCOCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 519097345 FKYCPOUCIHUUDG-UHFFFAOYSA-N 445.925 0.960 30 20 ICED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 520255157 QWZYWVYJCULSKV-KRWDZBQOSA-N 448.545 0.865 30 20 ICED CCOC(=O)C=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(=O)N(CC)CC 525625771 XWWLFSRJUXULDJ-UHFFFAOYSA-N 443.525 0.831 30 20 ICED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 526940963 TXQPIMOWNRJECO-MRXNPFEDSA-N 436.925 0.761 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 534602540 LQENKSYKMAHBBL-KRWDZBQOSA-N 427.526 0.745 30 20 ICED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 537153036 HJYOCCORFLWCIT-UHFFFAOYSA-N 426.449 0.901 30 20 ICED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 561398138 PWLYNTQECPWLBB-QWHCGFSZSA-N 442.567 0.919 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 561406631 JLACFAXVSDOOFT-RBUKOAKNSA-N 428.514 0.588 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2=O)cc1 588871312 USALRZBTNUQBPP-OAQYLSRUSA-N 434.496 0.839 30 20 ICED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 610290364 ZCGLWZWFKNPBMW-SRABZTEZSA-N 425.445 0.235 30 20 ICED CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1OC 725762690 RKOHEBVLQULGHM-UHFFFAOYSA-N 442.497 0.441 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 728534210 YFBUEQAXZBMVTG-CAPFRKAQSA-N 445.483 0.825 30 20 ICED CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731851456 XEQVNNASEAIJMV-CCEZHUSRSA-N 433.895 0.548 30 20 ICED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 740745393 VTOGDPBMACVAHA-ZFWWWQNUSA-N 442.563 0.563 30 20 ICED C[C@@H](CC(=O)OCC(=O)N(CCC#N)CCC#N)/N=C1/NS(=O)(=O)c2ccccc21 745495855 IRHRGBKDAGYJOV-AWEZNQCLSA-N 431.474 0.703 30 20 ICED C[C@@H](ON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749790453 IKASWTWVJYTKRH-PBHICJAKSA-N 438.550 0.319 30 20 ICED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCS(C)(=O)=O 753790643 RYDWNJIAYREOBD-ZDUSSCGKSA-N 436.559 0.289 30 20 ICED CC(C)(C)OC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C#N)C1 754381054 ZXLQAQGZYJHASE-ZDUSSCGKSA-N 433.490 0.697 30 20 ICED C=CCc1cc(OC)cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1O 754722878 LJZREROFUVQYGX-GOSISDBHSA-N 444.575 0.764 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)cc1 760397499 WFGVXSIVJRIAHN-DRYIHEDISA-N 432.449 0.570 30 20 ICED CC(C)N(CCc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1)S(C)(=O)=O 761770665 HPXMHJQSLNUAAP-UHFFFAOYSA-N 427.508 0.521 30 20 ICED COC(=O)c1cn([C@@H]2CCCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)nn1 762463960 OGQCQQWZBYTQGF-QGZVFWFLSA-N 437.460 0.995 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 767677766 AQRLSEPUYDKMSU-CYBMUJFWSA-N 445.453 0.813 30 20 ICED CCOC(=O)CON=C(C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc[nH]n1 772126969 YVAHWUUVRHSIEF-UHFFFAOYSA-N 428.405 0.731 30 20 ICED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)cn3)cc2)CC1 781058007 JHKPNDSDZNORDU-UHFFFAOYSA-N 427.486 0.736 30 20 ICED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCN2CCNC(=O)C2)C1=O 781104140 MBRIIVKHZKAKCV-KRWDZBQOSA-N 429.546 0.675 30 20 ICED C#CCN(C(=O)C(=O)Nc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 783480362 QBOKNSFETNFCQE-LLVKDONJSA-N 446.266 0.879 30 20 ICED Cc1ccc([C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N2CCOCC2)o1 785650913 WCTIVTXXZXUNGM-QGZVFWFLSA-N 426.477 0.573 30 20 ICED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 787272047 QFPKEUNBAXTZGS-SFHVURJKSA-N 426.489 0.541 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)n1 790106126 RYHRBNFFKFZBAB-FXAWDEMLSA-N 448.545 0.528 30 20 ICED CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)NCCn1cnc(C#N)n1 805823922 QPCKCYCICGKUSY-UHFFFAOYSA-N 426.481 0.657 30 20 ICED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 808035502 AUYZFVXUTGMYCG-SJLPKXTDSA-N 442.520 0.975 30 20 ICED CS(=O)(=O)N=S1(=O)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 820254955 ARHFCWGGOXOQCR-UHFFFAOYSA-N 426.520 0.937 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 914564985 OQQULPUIQJUAGT-HNNXBMFYSA-N 437.525 0.670 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCOC 916200791 QCQYAGQBVVGRMJ-UHFFFAOYSA-N 429.542 0.911 30 20 ICED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148393249 UGCNAMVCLCXPNZ-INIZCTEOSA-N 425.445 0.640 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1288872832 ZYDWJJKFJRUCDT-NEPJUHHUSA-N 439.464 0.111 30 20 ICED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1315937273 VHLJFXKTJPCJQD-FXAWDEMLSA-N 447.517 0.218 30 20 ICED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502718938 UTZHZZFYEJKKJQ-LAUBAEHRSA-N 431.541 0.585 30 20 ICED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 1539804542 YGYUOGAQMBAQTP-CHWSQXEVSA-N 432.934 0.030 30 20 ICED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCN1C 1629590985 LJNNSERYEPIXRW-OXQOHEQNSA-N 433.578 0.709 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1C(F)(F)F 1661973738 QZOFZUAIMRDXGM-NSHDSACASA-N 426.442 0.913 30 20 ICED COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1697636434 YSNUARZPBJTXAU-GOEBONIOSA-N 449.537 0.659 30 20 ICED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1697889189 MGJVETMLYFSLAS-QGZVFWFLSA-N 436.476 0.821 30 20 ICED CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1767908112 MEILEZYJKGTHLX-UHFFFAOYSA-N 447.565 0.952 30 20 ICED CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1770344755 VYWHWIDAPVYWPU-APWZRJJASA-N 433.513 0.987 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951938 OFHSBMMOTDWHQQ-XGVOGHQPSA-N 442.476 0.702 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064816 OGEYIHYPSPEATJ-HSZRJFAPSA-N 430.549 0.797 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)c(Cl)c1 1779096570 KYQVDPIBSXWWTB-PZJWPPBQSA-N 448.907 0.306 30 20 ICED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)ccc1F 1780756685 OQGVIQYDRRZCQG-DYESRHJHSA-N 430.484 0.237 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)ccc1F 1781294715 OFSFMOJYJDRXSM-ZHRRBRCNSA-N 428.464 0.596 30 20 ICED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)n1cnnn1 1781973122 QOPZCUJMZQFJNW-ORAYPTAESA-N 429.868 0.903 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1783530630 MIVGWRNZQWNDNI-ORIYOMJCSA-N 433.505 0.168 30 20 ICED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565267 QFHNMYDRWWOAQV-AOMKIAJQSA-N 449.504 0.694 30 20 ICED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1783584423 WVKOPUCYCJLJQR-HUUJSLGLSA-N 442.516 0.831 30 20 ICED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537927 CPLYLRXUFKXRJQ-OAQYLSRUSA-N 443.550 0.728 30 20 ICED N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787398704 RFILTOMGGQJTKI-RVNWWMBNSA-N 448.593 0.464 30 20 ICED C=CCO[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 1787493427 VANNYCQCXGLGIC-VTMBPIDISA-N 438.550 0.360 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1788660214 BJHCCLVCTMGXDU-MMDUVUBMSA-N 436.465 0.289 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1789891332 OKICKYHQLXRFGG-JQFCIGGWSA-N 446.460 0.278 30 20 ICED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)c1 1790270593 NKROXZJKROBHBV-SZMVWBNQSA-N 448.483 0.663 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792422325 MVMOIIHMFSNHBP-RQWRPHEBSA-N 436.512 0.939 30 20 ICED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c1 1792831395 YCUVHFKAUMRUJM-RUMRUAAYSA-N 440.544 0.803 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)cc(C(N)=O)cc1C)C2 1793344921 VFUZNLDEYJFEHK-PHXBYCTMSA-N 427.501 0.644 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795299798 NFKJBCYKPMDTAX-UGNRZPKXSA-N 448.541 0.478 30 20 ICED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cscn2)cc1 1796306194 RRFMPBZNHRJABI-HNJRGHQBSA-N 439.541 0.982 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)c1 1798577582 YXFLRISSTPXZTA-HATOLVCRSA-N 441.532 0.017 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802114260 LWAMPTJGTRGGOK-UVBQOVKKSA-N 443.544 0.968 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)C1 1804856145 QNCHFJWIXLUVTG-HPFMTEOYSA-N 436.509 0.141 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805265347 WYGWITORSPYFHN-RJQFULPZSA-N 436.472 0.755 30 20 ICED CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](CNC(=O)CC#N)[C@@H]2c2cccnc2)CC1 1806285565 HWTAKICYGRYWKE-MJGOQNOKSA-N 433.534 0.673 30 20 ICED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810285590 GWXWUJMYUDUEKS-NFMTXTLNSA-N 428.537 0.282 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)[nH]n1 1814436528 QWAKPNHRBURUJW-QWGSZXSUSA-N 441.492 0.868 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667918 OYHINKMVCLRCKS-AWEZNQCLSA-N 446.464 0.463 30 20 ICED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)c1 1822024209 METOTVGYBGWZOR-GXTWGEPZSA-N 438.469 0.839 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C)n3)C2)C1 1829765243 OKECBKGCHQXDFE-UZQCKINESA-N 442.516 0.627 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1829765526 YZRPAEVOWRXKFB-PTJLSLTLSA-N 443.500 0.035 30 20 ICED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1830053240 JDPUPHVJEKJXRC-FQEVSTJZSA-N 434.518 0.484 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c4n[nH]cc4c3)C2)C1 1831398466 CMEJJBPZFKOPHL-SBUREZEXSA-N 440.500 0.980 30 20 ICED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1831405809 KGYKKFACFMYCMY-JOCHJYFZSA-N 448.520 0.928 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1831424051 BLUCPYYNVLYAJR-QVKFZJNVSA-N 437.468 0.890 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831491420 BPGCCVGASWGGRV-JTDSTZFVSA-N 425.555 0.325 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831493234 QXGHRGWGLBGYNZ-FPOVZHCZSA-N 447.561 0.683 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)CCO2 1832004139 ROSPTGQXUANFKA-KUDFPVQQSA-N 439.509 0.004 30 20 ICED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC2)CC1 1833465254 TUOZXOJEOHCZSU-AUUYWEPGSA-N 433.471 0.910 30 20 ICED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1833476997 GHCPSMAOLWIJET-ZHRRBRCNSA-N 439.553 0.765 30 20 ICED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833482781 GUKBFUZSVMNUDI-OAHLLOKOSA-N 449.577 0.752 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833674515 IATIOIBKLJBLNG-IFXJQAMLSA-N 425.461 0.728 30 20 ICED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cn1 1833811500 VVLWYDLGNBWJGU-OAQYLSRUSA-N 430.509 0.137 30 20 ICED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1 1834604138 GKUIEJOPOBSADO-UHFFFAOYSA-N 439.582 0.287 30 20 ICED CN1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715712 ZYLUDXLKORVBMC-FQEVSTJZSA-N 432.613 0.934 30 20 ICED O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834872632 MEKVVFVQUGMUMQ-WSDLNYQXSA-N 427.509 0.562 30 20 ICED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)C2)N1 1835302098 SQVKEBVSRNIZBZ-GCJKJVERSA-N 445.903 0.427 30 20 ICED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(=O)nc5cccnn45)CC3)CC2)CC1 1836097889 ZICPABVKCKYVNK-UHFFFAOYSA-N 449.515 0.578 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccn4ccnc24)CCO3)c1 1837001560 ITNQGWBIDDAKBT-QFIPXVFZSA-N 434.456 0.918 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837305409 XNBXISVBMMSGJH-HTAPYJJXSA-N 440.504 0.963 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837486461 GNLKEFFGPPPVCA-QHCPKHFHSA-N 442.516 0.174 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837662010 YVORYGYYXGSWQU-VFNWGFHPSA-N 436.509 0.033 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1837664172 FUQQOXCOWBMINV-OAQYLSRUSA-N 440.610 0.919 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1837677964 KYSVYQVAJGIPSK-LZJOCLMNSA-N 440.541 0.549 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(F)(F)F 1837799131 SYUDMBLOJCRTIW-OAHLLOKOSA-N 433.343 0.506 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838386209 CNYTWEXPDOPOHG-GOSISDBHSA-N 444.594 0.993 30 20 ICED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838589347 NXUFBIKBDSMWIQ-HJPURHCSSA-N 441.484 0.889 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667555 WPKLADYEDWSCJS-FDDCHVKYSA-N 442.516 0.460 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C(N)=O)cc4)CCO3)C2)c1 1840647664 NZPAADVCCXOVOB-QFIPXVFZSA-N 437.456 0.369 30 20 ICED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845581857 OOCWNXVJMIFICW-INIZCTEOSA-N 426.433 0.316 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cncn2)C1 1846602937 OJGYCWTUCBUOSJ-CVEARBPZSA-N 430.509 0.959 30 20 ICED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847124456 OZCIQFSEHKFYMC-AWEZNQCLSA-N 440.566 0.587 30 20 ICED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 24442792 IZFRASVQUVZAST-UHFFFAOYSA-N 435.531 0.714 30 20 ICED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 116541917 RMGXURYIXKCGHM-QFIPXVFZSA-N 435.440 0.903 30 20 ICED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 410204202 CVNUNNAGEJWBMK-IDLUEMFASA-N 431.518 0.759 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C2CCC2)c1=O 431018766 JCAKHCNCHUPSPB-HNNXBMFYSA-N 427.530 0.475 30 20 ICED COC(=O)c1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)ccc1OC 438234995 MJDSWSFPLFCNRR-UHFFFAOYSA-N 449.489 0.956 30 20 ICED Cc1cn(-c2ccc(Cl)cc2)[nH]c1=NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 439783758 UZEADZUTOSJRPT-UHFFFAOYSA-N 426.868 1.121 30 20 ICED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@H]2CCCO2)c1=O 440376240 AHTABVFTUHGKQR-HZPDHXFCSA-N 443.525 0.789 30 20 ICED COc1cc(NC(=O)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc(OC)c1 442003276 PIUJJFQQSCGQTB-UHFFFAOYSA-N 428.449 1.220 30 20 ICED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 446528545 WJMAEORUOUCPRW-UHFFFAOYSA-N 429.399 0.424 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cn1 460729545 SZTBPAMIIMCNRG-CYBMUJFWSA-N 435.366 0.747 30 20 ICED CCOC(=O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464589342 VFPQHCLUIKSUMR-QGZVFWFLSA-N 434.518 0.419 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccnc1N1CCN(C)CC1 464958484 YJBZWPCKHLPOLF-KRWDZBQOSA-N 435.536 0.915 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)C2)n1 471419260 NWTCSIWVHQMUTD-GOSISDBHSA-N 438.536 0.991 30 20 ICED Cc1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 474524430 PQKRZYIKZBJZDO-UHFFFAOYSA-N 432.370 0.942 30 20 ICED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1cnn(CC)c1 478847619 HKAZHQXAWGGQPX-UHFFFAOYSA-N 439.545 0.922 30 20 ICED CCn1c(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)sc(=Cc2cccc(C)c2C)c1=O 488059311 ULQSJFVCFMYLJP-UHFFFAOYSA-N 445.566 0.307 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2cccs2)c1=O 502052614 UKHVHAUIDFLBSL-UHFFFAOYSA-N 441.538 0.115 30 20 ICED CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)CC1 504034980 OWUCZLWIHNFRGO-UHFFFAOYSA-N 443.552 0.837 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3c(N)nc(C#N)c3C#N)cc2)C[C@H](C)O1 504190324 UUVBSDQTPPKWPK-STQMWFEESA-N 443.489 0.645 30 20 ICED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OCC)C1 508884479 HRZATEKVECZTBX-GJZGRUSLSA-N 427.527 0.577 30 20 ICED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508940594 YVRKMBNTPNXQJP-UHFFFAOYSA-N 440.504 0.979 30 20 ICED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508955304 FLKPJICEHFBUCQ-HOTGVXAUSA-N 435.554 0.935 30 20 ICED Cc1c(NC(=O)C(=O)NCC(=O)NCC#N)cccc1C(=O)N1CCc2sccc2C1 508978763 MOIKDLOXIOBRPJ-UHFFFAOYSA-N 439.497 0.950 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)CC2)o1 513676717 JLQYXUHLHKSRRM-WAIKUNEKSA-N 445.483 0.849 30 20 ICED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 514306692 NMCRIGKNCNXGEX-UHFFFAOYSA-N 445.541 0.993 30 20 ICED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)n(C)n1 521946031 SUGHPVXREMOJQT-OAHLLOKOSA-N 433.476 0.905 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)C1=O 522987459 HQHXKELDVHZJNB-UHFFFAOYSA-N 436.490 0.939 30 20 ICED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 523244552 WGFOOGHKDMMWMK-UHFFFAOYSA-N 449.467 0.748 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 527279902 UKFNGZSBTPMFJV-UHFFFAOYSA-N 428.470 0.812 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CC(N)=O 532017042 HNKLHHYJPHHKOR-UHFFFAOYSA-N 445.504 0.262 30 20 ICED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 552899887 PSVXXXCFPUPSBG-INIZCTEOSA-N 444.459 0.811 30 20 ICED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 558014838 XEWHWJBEYWJVRB-HXUWFJFHSA-N 437.548 0.967 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccncc1OCCN(C)C 566879291 FJKXOPZPCUONOH-HNNXBMFYSA-N 431.518 0.877 30 20 ICED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n1 570490217 PBLNDZKJMYSJTN-LBPRGKRZSA-N 442.382 0.912 30 20 ICED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cc1 584024003 NTWKSLKHPRRRGR-FQEVSTJZSA-N 442.541 0.896 30 20 ICED CC[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1OCC(=O)N(C)C 585721211 YVGRSTQDJHEJAG-GOSISDBHSA-N 429.521 0.825 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)c(F)c1 609467992 FWHUKVXSALDZBJ-KRWDZBQOSA-N 442.495 0.799 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2F)c1=O 619695196 RWOLAFDVJLXXQR-UHFFFAOYSA-N 431.489 0.829 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 674997444 ODYXDUGMRYERDH-ZWKOTPCHSA-N 437.518 0.838 30 20 ICED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CCN2CCOCC2)c1 728539613 UDNHLOFQOITVAQ-UHFFFAOYSA-N 446.533 0.673 30 20 ICED COc1ccc(C)cc1N1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910429 PHWWEIDTEZWCKS-LSDHHAIUSA-N 433.486 0.322 30 20 ICED Cn1cc(/C=C2\CC(C)(C)C/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 736433664 INOWEJIYJGVBJY-FNCQTZNRSA-N 426.473 0.338 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 742068674 VTWIJPVQFDZSIP-GOSISDBHSA-N 436.553 0.686 30 20 ICED COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1 749862439 RBKCERFIFYEQRV-ZBFHGGJFSA-N 439.493 0.913 30 20 ICED C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 750559654 PUGSPALSMDCCJT-OAHLLOKOSA-N 445.501 0.472 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C#N 752395931 OHDCFBIDYMNWOI-AWEZNQCLSA-N 437.478 0.605 30 20 ICED C#CCOCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 753241372 MCNCLFCKAIRBIL-OAHLLOKOSA-N 436.939 0.188 30 20 ICED Cn1c(=O)oc2cc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc21 755546695 MZBWMVPVVKKEOW-AAEUAGOBSA-N 429.433 0.945 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCOC 755628668 SWWCQNCWTSXKHO-UHFFFAOYSA-N 437.468 0.490 30 20 ICED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 756880642 BYXLGZBJYDVORQ-IUODEOHRSA-N 441.510 0.428 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758956213 VZEFASYAVFJDGN-UHFFFAOYSA-N 425.466 0.310 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)c1 760395419 VBGDCYPBESKXCX-FLLWUHORSA-N 432.449 0.570 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 761024257 MAWJINASHVBHFC-UHFFFAOYSA-N 430.534 0.513 30 20 ICED CCOC(=O)c1n[nH]c(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 769766047 DTKNAVOTYXMEJL-UHFFFAOYSA-N 446.489 0.426 30 20 ICED Cc1cc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)nn1-c1cccc(C#N)c1 780194987 NKWOLBJNQKYDBW-UHFFFAOYSA-N 433.490 0.607 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780298282 PRZWZXOUMBOXDT-UHFFFAOYSA-N 449.511 0.955 30 20 ICED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1Cl 785662750 ZWSCRGJNCOAVLD-HNNXBMFYSA-N 434.880 0.874 30 20 ICED N#Cc1cnn2c(O)cc(COC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)nc12 786999419 RZRDIIPXZLSTGT-MRXNPFEDSA-N 428.449 0.063 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCS(C)(=O)=O)c2=O)n1 790430155 TYTFOJXHMNFJDL-UHFFFAOYSA-N 449.554 0.476 30 20 ICED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790839511 OFIKCAVUHUIEIF-GFCCVEGCSA-N 436.309 0.550 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=S)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 792688703 NSYOUVKZNMEIOE-GOSISDBHSA-N 443.554 0.971 30 20 ICED C=C(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802600684 AZUIUCDTMZELFB-HNNXBMFYSA-N 429.568 0.371 30 20 ICED CN(CCCNC(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)S(C)(=O)=O 805587610 KDVPVKDSIYPUKE-HNNXBMFYSA-N 440.497 0.465 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(C4OCCO4)CC3)C2=O)cc1 808237082 BPGJCSURFYYJBA-GOSISDBHSA-N 426.473 0.387 30 20 ICED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CCCO1 809309819 HJBPGEKAZUCQJK-BPQIPLTHSA-N 437.493 0.392 30 20 ICED C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387194 IPBCVLZOQZOGMY-ROUUACIJSA-N 432.550 0.803 30 20 ICED COc1cc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)ccc1OCC(N)=O 849086605 DHWLIXPWAIOAEX-OAHLLOKOSA-N 433.509 0.940 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC(F)F)c1=O 916199882 LOYRLELYOWJZGQ-UHFFFAOYSA-N 435.452 0.939 30 20 ICED CSc1nc(O)c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1C#N 1275713940 SPQNCKFLJJHUME-LBPRGKRZSA-N 427.504 0.962 30 20 ICED CNS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1315073700 UTBRMIQDCOBJNK-QGZVFWFLSA-N 434.522 0.350 30 20 ICED N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(O)CCOCC2)cc1 1316531467 UOHZPKPVIZWERP-UHFFFAOYSA-N 440.504 0.829 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1319273236 UIAITNAMUSXSLF-QZQOTICOSA-N 436.476 0.223 30 20 ICED C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494519006 MRWWKLVNSBOIDC-KURKYZTESA-N 431.541 0.742 30 20 ICED CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1696713506 AIGSRUBKUGXPKG-UHFFFAOYSA-N 442.505 0.704 30 20 ICED CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1697697341 XIGDIELHOQQBHO-ZOMKSWQUSA-N 430.506 0.382 30 20 ICED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1698488358 OGONHOUJFAOGEX-INIZCTEOSA-N 428.518 0.968 30 20 ICED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712470783 UGDYBQGKCIDNPQ-XFQAVAEZSA-N 429.525 0.854 30 20 ICED CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723630608 BWQPGXBGQAUDMQ-NVXWUHKLSA-N 449.581 0.271 30 20 ICED CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1724009177 BTMYOVHAFQBCRO-HXUWFJFHSA-N 430.534 0.944 30 20 ICED CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764577239 SGQPYIAIDPWZBB-INIZCTEOSA-N 441.540 0.548 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778708711 NYHZMYMQBGNLHJ-JLCFBVMHSA-N 427.457 0.856 30 20 ICED Cc1nc2sccn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779157055 YEGWZVFRWXXCFO-JLTOFOAXSA-N 430.486 0.920 30 20 ICED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CCC2)C3)no1 1779433972 XDOPHOFPHNGLHH-VGOFRKELSA-N 443.504 0.921 30 20 ICED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)c1Cl 1780190043 GVWGTONRGYPXRO-PZJWPPBQSA-N 448.907 0.306 30 20 ICED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1 1780409092 TVHNLOMISBPMBA-GSHUGGBRSA-N 439.472 0.284 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 1780560961 ROIDSKIGJZHHJW-SFHVURJKSA-N 437.246 0.686 30 20 ICED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1)C(=O)O 1781967770 XFTORPBSPXZDFA-OXJNMPFZSA-N 434.880 0.718 30 20 ICED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194753 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O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccc3C(F)(F)F)[C@H]2C1 1788997910 OBJXNPCUKVZDFY-OBJOEFQTSA-N 425.363 0.782 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc4cccnc4cc3F)[C@H]2C1 1789845302 WBJWQHDRVFBOCO-KNBMTAEXSA-N 439.443 0.984 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=C)CC(=O)OCC)[C@H]2C1 1789891466 KKUNBUQNQMNXCQ-AKSSPNHOSA-N 433.505 0.334 30 20 ICED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)ccc1F 1789906236 FRRCBPOTESSGMR-IKICRFKJSA-N 430.436 0.328 30 20 ICED CCOC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1790261429 GFIVWUONOCLJFS-BZSNNMDCSA-N 428.441 0.545 30 20 ICED Cn1nc2c(c1C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]31)CCC2 1790461235 HEHHSWARTHBLIY-IEZWGBDMSA-N 442.564 0.784 30 20 ICED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1792138462 QGSJFZDIUDSRTA-CAEXGNQWSA-N 433.534 0.462 30 20 ICED CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)C(C)(C)O 1792274447 QJUJGWGRPQNAJN-QBYUYEEZSA-N 438.525 0.544 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793104263 LZRIAKZIBSKUFV-SOEGMMLTSA-N 444.444 0.649 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)s1)C2 1793344540 CBXBDWSTJHBMLE-BKEDOTJMSA-N 434.514 0.705 30 20 ICED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1793357351 NVIOZIKJXHBDRG-GGXPGOJBSA-N 428.493 0.535 30 20 ICED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)c(C(F)(F)F)n1 1795851279 WPFMENODLWFKJE-DRXBFXEBSA-N 449.393 0.467 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1796321159 NKLICIIIPGZOJX-IARIHHJXSA-N 439.476 0.085 30 20 ICED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436855 HZCKESQDAMFCKK-DMUMMCEESA-N 439.578 0.770 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ncccn12 1797005871 UFCIESMFCHABGF-YYIAUSFCSA-N 427.505 0.814 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)cc1C#N 1797688146 TYQRCDBXYYCJMQ-CWPLJXCYSA-N 439.472 0.425 30 20 ICED COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)n1 1797808954 SYSLFEFQFIINIH-TYGXFAMMSA-N 432.477 0.822 30 20 ICED 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)CCC#N)C3)C1 1799199357 YVPQAFPPBOXDHB-WXQHOCMDSA-N 436.509 0.108 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c(C#N)c1 1799238010 SWCLQKOGTZSQTA-YDGKCNFYSA-N 440.500 0.225 30 20 ICED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)c(F)c1)C2 1799302573 FMPIEKDUUVHZNE-JLVBRIDZSA-N 435.452 0.942 30 20 ICED 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)CC1)C2 1799355503 OZBGILBOHNVVHQ-FZKCQIBNSA-N 436.509 0.155 30 20 ICED 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)CC1)C2 1799364754 CCPBFWSUHVOCBF-IVSAIRAKSA-N 436.509 0.155 30 20 ICED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1799745058 OOADFSUEDCCAPG-USGNIVHTSA-N 440.431 0.216 30 20 ICED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800201225 KWMAUKGKKCKFQD-HITLURFISA-N 434.562 0.744 30 20 ICED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1800985513 JQKUFWDTMMPFRB-RBGFHDKUSA-N 443.566 0.530 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1)C(F)(F)F 1804191000 SOJTTYVPEBKLDI-CZUORRHYSA-N 439.394 0.758 30 20 ICED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)C2 1804465784 AMSSUWBKZBUVSY-TURABVPUSA-N 444.532 0.631 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806633321 YSZRQQALJNBXMZ-FGDQQNFXSA-N 425.489 0.224 30 20 ICED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807949006 LVXCIGGXNPGISH-UZLBHIALSA-N 448.487 0.721 30 20 ICED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1808370095 YZMHJFYIIGBCID-HFSMHLIXSA-N 426.517 0.921 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1808451126 ZLTZCXWQLPYLPX-HNAYVOBHSA-N 427.461 0.473 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1808451210 AEEJFCPJMAFCST-ABSDTBQOSA-N 428.489 0.733 30 20 ICED N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)cc1 1815053722 QWXMDOSVHFAWAS-CABCVRRESA-N 440.529 0.762 30 20 ICED CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1819239797 SRVKNTDPYQHCIU-RHSMWYFYSA-N 449.512 0.748 30 20 ICED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821713986 QLWLOIWRGJTNTL-WFASDCNBSA-N 425.511 0.899 30 20 ICED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN(CCO)CCO)n[nH]2)cc1 1822026507 IXJJICXDSBUPAQ-LJQANCHMSA-N 440.504 0.874 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 1824490375 NMKYROHUPDAXNA-KNQAVFIVSA-N 446.592 0.809 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C3(C(=O)OC)CC3)sc2C1 1825272648 UIXLLLJKZRSEDG-DGMVEKRQSA-N 432.502 0.867 30 20 ICED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(=O)N(C)C)C2)C1 1829262101 IFAPNRDPRWMMHV-JOCHJYFZSA-N 426.473 0.160 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829519555 LRDXFHACRCCMSA-FOIQADDNSA-N 438.912 0.773 30 20 ICED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829634804 YUANBYWQYYLRGP-VGOFRKELSA-N 428.489 0.082 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1829773773 UZFHHAYALRWJBG-CUEYOVFCSA-N 435.521 0.118 30 20 ICED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(Cl)cc1 1830270926 QWRPEUKTKYPMOJ-YCRPNKLZSA-N 434.876 0.988 30 20 ICED O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2)c1cccs1 1830579841 LFXQIXRGQVFADN-GNKSBDRASA-N 434.514 0.714 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1831207301 CMNCXHZVIYPHTN-FYYLOGMGSA-N 428.485 0.598 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CSCSC1 1831216601 UXGRGIYXOULAOJ-JXFKEZNVSA-N 439.603 0.899 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1831399156 QFQMSQARPLNFFZ-BTYIYWSLSA-N 449.435 0.842 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831999011 WQZWLTUAOFSNNA-IIBYNOLFSA-N 436.509 0.826 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832585982 DOYZLTMBADOYDT-HSZRJFAPSA-N 443.569 0.976 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1csc(C)n1)CCO2 1832962318 AEFFMSVUCXVZOB-NYPGBQQYSA-N 448.545 0.309 30 20 ICED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n(C)n1 1833448171 YBMIUGZQSHWOCO-JOCHJYFZSA-N 439.472 0.684 30 20 ICED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833705326 ZHEGLGVJZWFZKG-QGZVFWFLSA-N 425.599 0.070 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1)CCO2 1833991158 PTTKGVADCRBKMP-DYRFGFBLSA-N 428.489 0.318 30 20 ICED Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834062285 MFJVONBLCHPSRY-NRFANRHFSA-N 433.509 0.643 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672460 LLFUXURKAKETAQ-FUHWJXTLSA-N 427.615 0.105 30 20 ICED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)C2)C1 1834756272 SCEBIEJKVJEWHZ-HRAATJIYSA-N 446.529 0.467 30 20 ICED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756418 WKAMZAFRZWIINA-JOCHJYFZSA-N 439.472 0.870 30 20 ICED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834847902 AKCBAJOMSDHZID-QHCPKHFHSA-N 443.500 0.900 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn4ncccc34)CC2)CC1 1835037660 DJHYJWFPNVBRGE-QGZVFWFLSA-N 438.532 0.953 30 20 ICED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101398 AUTKQTXVFAYUAB-XMMPIXPASA-N 435.480 0.716 30 20 ICED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)cc1 1835702441 DJMJKFXAWGHDLT-NFBKMPQASA-N 435.484 0.723 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3ON=C(c4ccccc4)O3)CCO2)C1 1837294894 QHLCUMXOZPWXRZ-KNQAVFIVSA-N 442.472 0.727 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837398491 BWBGBNKIQGARAV-JTSKRJEESA-N 443.504 0.372 30 20 ICED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837562761 PALSKRSINLCIIX-YGPNGPECSA-N 426.473 0.793 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cc(O)n1 1837563434 XZFICNYZMOPTGH-NYNQOQISSA-N 442.472 0.878 30 20 ICED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OCCCO)cc3)CCO2)C1 1838549826 KDOYCUBQXJGEAW-IERDGZPVSA-N 438.546 0.836 30 20 ICED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908617 KCKSWWPNGCBHPG-NQIIRXRSSA-N 433.530 0.742 30 20 ICED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951229 FSCWEJLAJMKGIN-HXOBKFHXSA-N 442.516 0.933 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1839212660 GDRPDRUNZSTGNT-WMZHIEFXSA-N 440.500 0.178 30 20 ICED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1 1839227710 XCAQNQPJQQQTHU-FOIQADDNSA-N 435.481 0.356 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1840039840 BBWLYOFJJFCPJZ-SSKFGXFMSA-N 433.505 0.476 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 1840043407 WEISQGHAMFKABO-LJQANCHMSA-N 440.374 0.863 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840364636 KWOSRMHROLIODT-DRSNIGMVSA-N 447.536 0.772 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)cc4)C3)C2)CCC1 1840811320 IGRAWIQJKLCZMF-JOCHJYFZSA-N 429.473 0.921 30 20 ICED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c(C#N)c1 1844596381 NQMBRKKPUDFMAU-UHFFFAOYSA-N 434.456 0.515 30 20 ICED C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847444029 ALNYRQLWUPAOQG-RQUCRVAKSA-N 426.539 0.764 30 20 ICED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 409545097 ODNXZGCDSKSGOL-OAHLLOKOSA-N 426.564 0.818 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)NCCO)cc1 426891425 YCKUDSHBNUOZAN-CQSZACIVSA-N 430.486 0.515 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 431989737 DIRGNEKSEMULDF-GASCZTMLSA-N 449.533 0.303 30 20 ICED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 435208369 WMUKUKWRZSQOGA-UHFFFAOYSA-N 431.514 0.521 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCC[C@@H]3CN3CCOCC3)n2)cc1 439363134 YOAHTLOOSLXMDM-LJQANCHMSA-N 437.504 0.850 30 20 ICED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)cc1 439601038 ZPZLKCRRZWOICC-UHFFFAOYSA-N 445.501 0.887 30 20 ICED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442256532 SFFHIEDWSPMDRO-INIZCTEOSA-N 444.467 1.115 30 20 ICED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3C(=O)NCC[C@H]3C)nnc12 443042829 ZDDIZEDCOAOCAK-WBMJQRKESA-N 426.502 0.963 30 20 ICED N#CCCn1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)n1 444504397 HHYPKVTXTIIRSC-UHFFFAOYSA-N 433.266 1.044 30 20 ICED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447222502 MMBNAVCXLXBYQO-CQSZACIVSA-N 433.896 0.542 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(N2CCOCC2)CCSC1 464951291 LUIYBHLORYYGEQ-OXQOHEQNSA-N 431.566 0.776 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC=C 501259931 RTNUTEDADSXYML-UHFFFAOYSA-N 425.510 0.926 30 20 ICED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NCC(C)(C)C#N)c1 510649335 NQYPPRBXTVRFEA-UHFFFAOYSA-N 437.522 0.378 30 20 ICED C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)[C@@H]1CCS(=O)(=O)C1 521476986 KRRZIXGPHJXRDR-JKSUJKDBSA-N 444.579 0.629 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2cc(Br)ccc2C)C1=O 522258278 BYVZEIVVXANCGR-UHFFFAOYSA-N 437.250 0.789 30 20 ICED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 527030678 JJUVVRKHNPFAKQ-UHFFFAOYSA-N 434.499 0.873 30 20 ICED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H](O)C1 537682518 WTLJFTGINAQZOD-RIDNJTMQSA-N 448.612 0.851 30 20 ICED CC#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)O 542858094 IOMDRCAPQLHMJI-SNVBAGLBSA-N 430.280 0.784 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552258200 XFJCNFCETRCDNS-GDBMZVCRSA-N 437.422 0.923 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 555856069 KFCPWQGVLHGGIB-UHFFFAOYSA-N 428.537 0.135 30 20 ICED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cnccc2C#N)CC1 557615777 CDOYFCXBQPEGIT-INIZCTEOSA-N 442.545 0.470 30 20 ICED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 559007878 UXGPENIYDASLFQ-QGZVFWFLSA-N 448.549 0.723 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 561862444 YSJJNYXKWPRKGO-QMTMVMCOSA-N 437.508 0.664 30 20 ICED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)c1 569055093 ZSSHSESAPRWMLM-AWEZNQCLSA-N 446.514 0.599 30 20 ICED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)CC1 569984199 FQIKBQJSYSBCDM-UHFFFAOYSA-N 443.614 0.264 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 579738611 RFEQKUQUFHDJDG-UHFFFAOYSA-N 448.526 0.370 30 20 ICED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)c1C#N 579819198 PJUJIJZZKHDROQ-WBVHZDCISA-N 428.522 0.908 30 20 ICED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)n1 582260819 OAHYGUUAMWOCNH-INIZCTEOSA-N 435.488 0.511 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2)c1C#N 585689885 GVIHZWXIUJUYCH-HNNXBMFYSA-N 447.503 0.707 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 608911397 CQZCVAQNNCYPBI-UHFFFAOYSA-N 435.509 0.219 30 20 ICED N#CCN1CCC(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611644845 USKSETIITUWUMQ-WMZOPIPTSA-N 440.953 0.816 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 619734463 CVASFJOUSWMNLF-CQSZACIVSA-N 429.506 0.557 30 20 ICED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669815312 NXUXJMAPEXNVPO-UHFFFAOYSA-N 444.521 0.708 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 728466771 RAYPSKRKYJHZKF-JKRPTORDSA-N 449.533 0.565 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)Nc1sccc1C(N)=O 729539929 IZNCXTXTMMAUSY-SNVBAGLBSA-N 436.471 0.567 30 20 ICED COc1cc(CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c([N+](=O)[O-])cc1OC 732441629 JWWXWJDEHQSBAV-ZCXUNETKSA-N 433.421 0.980 30 20 ICED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 735116225 DLLWBVPGYOOCNH-FTFAEBDGSA-N 428.445 0.401 30 20 ICED COc1ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 748097117 VOXKYPXWXMOEDL-UHFFFAOYSA-N 439.490 0.633 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 755553542 QNAHBTSNAOSKQA-WFASDCNBSA-N 431.449 0.364 30 20 ICED C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccncc2)c1=O 758075416 HUYJCSCXCQHNOK-UHFFFAOYSA-N 444.472 0.851 30 20 ICED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 758075862 AQVKGOZVHKDPEH-UHFFFAOYSA-N 445.447 0.506 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1 759689597 ATGFMLFFQKUMAT-UHFFFAOYSA-N 430.486 0.833 30 20 ICED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC)CC(=O)Nc2ccccc2C)CC1 761039264 VMUKYIKWARHQQH-UHFFFAOYSA-N 449.577 0.257 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 764295726 XYGJQOUDQAAOQU-VDVBZYJVSA-N 449.489 0.101 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1cc[nH]n1 772280281 ZKOYSFTWIWPSBQ-UHFFFAOYSA-N 428.449 0.141 30 20 ICED C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 776089173 RACSCNCAVHINQB-HNNXBMFYSA-N 441.531 0.365 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 778601039 XEWGDZZPRINFKZ-UHFFFAOYSA-N 444.463 0.225 30 20 ICED C#CCn1ccc(CN(CC)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 788900765 NFMYGINRWNTIAZ-UHFFFAOYSA-N 434.478 0.935 30 20 ICED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 797541872 YOBWPKXMJWKTJZ-NGIIGVMLSA-N 449.533 0.423 30 20 ICED C[C@@H]1C[C@@H](C)[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 800299822 NVOWPAOOIBFUGG-SPYBWZPUSA-N 435.502 0.748 30 20 ICED COC(=O)C1CCN(S(=O)(=O)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 805864297 RMWQACIFDDKWRK-HNNXBMFYSA-N 438.481 0.770 30 20 ICED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 820711981 USDOSYVGKLBVKQ-OAHLLOKOSA-N 448.592 0.946 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)o1 915378080 CKYOAPBAOGCOLG-QGZVFWFLSA-N 439.428 0.836 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)N1CCOCC1 1541926742 WYIATDHVAVHCRR-HOTGVXAUSA-N 439.586 0.739 30 20 ICED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4ncc(Br)c4C3)CC2)o1 1643833722 MNYQUQIIVGGEDT-UHFFFAOYSA-N 434.298 0.978 30 20 ICED N#CCc1ccccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1661193818 LAMAVTFTLTUHAY-SFHVURJKSA-N 441.575 0.653 30 20 ICED COc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1Br 1662030224 ZAIGQIDJTLOFSM-ZIAGYGMSSA-N 448.339 0.667 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1692766739 SWGVAFMKEXOPGQ-HNNXBMFYSA-N 448.549 0.938 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1692784433 OZEXSNMSPXTEHU-TVQRCGJNSA-N 441.411 0.009 30 20 ICED COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712329579 QDRLHSGVZJINFU-LAUBAEHRSA-N 431.541 0.365 30 20 ICED CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760820667 RSIMLFWBSLNTTN-OAHLLOKOSA-N 426.543 0.512 30 20 ICED CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1766441787 LHNFWYGTPLYZQB-WIYYLYMNSA-N 444.561 0.897 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380854 OQLMFZNRSAGSQS-OXJNMPFZSA-N 435.550 0.415 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5n(n4)CCCNC5=O)C3)C2)c1 1778384131 WCAMVAIOVXHNCW-HSZRJFAPSA-N 448.483 0.646 30 20 ICED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1779039595 LSKWUBAQGWEAKJ-NRFANRHFSA-N 445.545 0.494 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105675 MNFDDOUOPQPNSB-HVHIPWAVSA-N 437.493 0.855 30 20 ICED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444869 QOEBYKNVQSPTLV-CUKRGZBSSA-N 449.577 0.696 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)C1 1780882567 AWYUQXCJUZDAQI-GBXCKJPGSA-N 439.512 0.959 30 20 ICED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1781800851 BPHDJTYVXVWDPW-JTDSTZFVSA-N 431.480 0.362 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782365938 GFQRIKXIFWFCKV-ICTHTSFCSA-N 441.463 0.775 30 20 ICED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784534469 MMORMPOXMHOLOI-NZUILWFCSA-N 425.511 0.725 30 20 ICED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)n1 1787052808 DCWIAFIREXBRIE-BZSNNMDCSA-N 430.505 0.599 30 20 ICED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1789890584 XVTHNDOEXIOMLA-WDSOQIARSA-N 431.489 0.950 30 20 ICED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791305231 YUYUWTYEEPRAFU-BQFCYCMXSA-N 447.513 0.735 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833941 TVOGQAPOSQTGGC-AAUAJYIVSA-N 443.500 0.696 30 20 ICED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccc4sccc4c2=O)C3)CC1 1795409277 WVYQBOMAWSBNMW-ZSBFGKGUSA-N 426.498 0.956 30 20 ICED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)ccc1O 1795599593 ZMWLJQYFWMZGCC-HGKCTWBKSA-N 430.505 0.886 30 20 ICED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)ccc1F 1799325041 VYQBJMLWLYMMNJ-WGVRVLLMSA-N 428.464 0.356 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1799390922 CRKPZJJVGIGOBU-ZTENYAIWSA-N 435.481 0.702 30 20 ICED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1799395761 XUJPUJMEFWZRSR-HSHRSBJYSA-N 434.537 0.778 30 20 ICED 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 1800906782 FOXDYQBQVZAWAX-OCVGTWLNSA-N 425.551 0.811 30 20 ICED CC(C)Oc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)cc1C#N 1801850127 WCAHSPRAEDXSKN-RMFSNUHRSA-N 431.489 0.558 30 20 ICED C=CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)O)C2)NC(=O)OC(C)(C)C 1801930372 BHBUTEXHVGAJNP-RPUYLAQPSA-N 425.526 0.816 30 20 ICED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801990061 PHTNFOIZNZEYNI-FEJSZKPUSA-N 442.516 0.833 30 20 ICED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993138 GVRNBJVPJASWQC-YEXUYLHMSA-N 449.504 0.473 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)[C@@H]2C1 1801993516 VTZBOOZXJAQKKS-AOLPCXKKSA-N 431.489 0.826 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1802482669 OPCBMMUQHWJZIE-QFZALXNFSA-N 441.532 0.278 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803543357 BGXRGLIAXCMOOS-CDMIOBSGSA-N 438.484 0.441 30 20 ICED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1803566532 LQKBKVLWYNPZGN-WQZMEWCLSA-N 432.521 0.329 30 20 ICED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)cc1 1804191299 ZZHUMUNMWFTKHY-WIYYLYMNSA-N 446.467 0.825 30 20 ICED C=CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c(O)n1 1805141668 VNJQMJNMLFKGIX-VDGAXYAQSA-N 438.532 0.906 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192443 VSDIRMFFESYHSN-DFEOGRTESA-N 431.537 0.253 30 20 ICED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CCC1 1811192730 HJXPDLIACIROGU-CRAIPNDOSA-N 433.472 0.984 30 20 ICED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3=O)[C@@H]1c1cccnc1 1812881684 ZIYFQLZKLIQZGE-IIBYNOLFSA-N 432.436 0.733 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813316286 NAJVWRPOTZLORR-LHTVMBCQSA-N 437.504 0.628 30 20 ICED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1814806629 KAUCPLSUXXDCKG-IJPWRJOKSA-N 432.506 0.360 30 20 ICED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4nccnc4C(N)=O)sc3C2)c1 1821040835 LKLOQVVSTMVQJX-SNVBAGLBSA-N 436.457 0.771 30 20 ICED CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)ON=C(C)C)sc2C1)C(=O)O 1823080567 YIJQHCGANIOHFF-GMXVVIOVSA-N 425.511 0.919 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1824489549 USODQPPFZCXZNS-NVXWUHKLSA-N 429.454 0.369 30 20 ICED N#CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCN2C(=O)OCc2ccccc2)C1 1829332246 FSFFOGYCMQRPIX-JOCHJYFZSA-N 438.440 0.440 30 20 ICED O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1830469525 AXOZTOIDDOGJDM-VGSWGCGISA-N 445.903 0.284 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808203 UMMIWEDGHNIMGZ-MBSDFSHPSA-N 442.512 0.919 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)c1 1830869454 ASFOBSPHQFKHCZ-KNQAVFIVSA-N 431.489 0.654 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831403984 GNGDZSPFNZSQCM-NRFANRHFSA-N 441.594 0.474 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831990705 QNCGATWAADKFEQ-AOMKIAJQSA-N 440.537 0.748 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1832451533 GMBPKIYFOSXZAD-SFHVURJKSA-N 428.942 0.912 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386172 OAXRAZVBOWDAAL-IIBYNOLFSA-N 434.493 0.048 30 20 ICED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCSC)CC2)CC1 1833469408 UPBHGNWLMSRZAY-QFBILLFUSA-N 425.595 0.710 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1833565410 KNLBMGGJDBTWOI-HXUWFJFHSA-N 437.518 0.272 30 20 ICED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c(O)n1 1833699556 DBRWBKJZTSZYJH-JOCHJYFZSA-N 446.504 0.241 30 20 ICED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c(C#N)c1 1833721142 SAQMVIDWAYDTOL-JOCHJYFZSA-N 439.472 0.603 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C)CCO2 1834034169 HXFBQIMWKUBEKG-ICTHTSFCSA-N 428.489 0.318 30 20 ICED CS(=O)(=O)Cc1ncccc1C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834397969 APBYBDXIFVSGKG-UHFFFAOYSA-N 447.561 0.725 30 20 ICED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1)C(F)(F)F 1834676073 RZIKENBVMBCZDI-HNNXBMFYSA-N 433.475 0.269 30 20 ICED N[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1cccnc1 1834764747 NTRKORFJFZVCBD-IBGZPJMESA-N 427.505 0.131 30 20 ICED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834853738 JRZHPWCBALYYIJ-JOCHJYFZSA-N 436.505 0.095 30 20 ICED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111185 AGJLIYSGFHKFLY-SUMWQHHRSA-N 434.566 0.664 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(-n5cnnc5)cc4)C3)C2)CC1 1835342501 DWEZYRNSPZNSCR-JOCHJYFZSA-N 436.472 0.641 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1835398599 NIKSVKFEBGVFBU-QFIPXVFZSA-N 446.479 0.100 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1837396959 LAGRFYICXPEMDN-SVMVAKDDSA-N 432.521 0.111 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837442158 QRSZWXMPVAAOAX-XWRADEMYSA-N 432.477 0.182 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827128 RYULOFOUHDNYSH-WHEDMDOKSA-N 445.432 0.705 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)Nc4cccnc4)C3)C2)cc1 1838951549 VWVBGVSRVMQXNG-QHCPKHFHSA-N 449.467 0.662 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1839176447 PEJJIHMXBHYYMV-UZLBHIALSA-N 444.550 0.066 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839618561 NPMKHWUKXANKCL-KSFYIVLOSA-N 444.463 0.582 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839810563 DGLZFLQLWJHGBU-VGOFRKELSA-N 435.521 0.723 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839887870 SIAPJGIBAQBBLN-LJQANCHMSA-N 442.463 0.811 30 20 ICED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006321 AQKUUMBAJGQFFK-XPPIMPSXSA-N 432.517 0.980 30 20 ICED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)c2n1 1840160715 QEOWPRMXZDKPFC-MGPUTAFESA-N 433.534 0.734 30 20 ICED CO[C@H](C)[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)N(C)C(=O)OC(C)(C)C 1846196389 SQADTRHGZNDHCX-PBHICJAKSA-N 437.493 0.548 30 20 ICED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1=S 36823867 JETKPDFCSFPNSX-HUUCEWRRSA-N 430.600 0.838 30 20 ICED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 409550413 FFWLMDWJTDHBBT-GFCCVEGCSA-N 433.512 0.726 30 20 ICED N#CCCSc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 428206040 IYEVMPZIBCGTDG-UHFFFAOYSA-N 437.503 0.855 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)C1=O 440258792 ROQSAUPDVGZJQC-MRXNPFEDSA-N 430.461 0.163 30 20 ICED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441953151 XBCOZLZHGIPNNC-FQEVSTJZSA-N 431.424 1.030 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463006102 CMSRWDURNKJHEB-HNNXBMFYSA-N 441.513 0.796 30 20 ICED CNC(=O)N[C@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@H](NC(=O)NC)C3)c2)C1 466465522 MTIWPKKBCAHONE-KBPBESRZSA-N 430.469 0.482 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 470443858 AUOGEQASNQSTPO-UHFFFAOYSA-N 430.490 0.370 30 20 ICED CN(CCCNC(=O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)S(C)(=O)=O 471003107 CILWKPADYSIONR-SFHVURJKSA-N 441.985 0.920 30 20 ICED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 471805569 RVUVRGYTKPFYLJ-DLBZAZTESA-N 433.534 0.288 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CCN2CCOCC2)c1 481449668 PDRUTVFKACMSOM-HNNXBMFYSA-N 432.506 0.392 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506715170 IQUOGGONDYUTLY-LSDHHAIUSA-N 438.506 0.356 30 20 ICED C=CCn1c(CCc2ccco2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508951641 NERVKMVWHHXFMC-UHFFFAOYSA-N 428.493 0.350 30 20 ICED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 539420837 XWLYKUHARJEMGL-NSHDSACASA-N 443.469 0.681 30 20 ICED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)CC2(C#N)CCCC2)c1 546069863 ZZJFLLBFASBBEX-ZDUSSCGKSA-N 428.536 0.925 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2)c(F)c1 557280348 RXOVEPOLFRLTLI-OAHLLOKOSA-N 439.451 0.119 30 20 ICED CN(C)S(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 581040166 IRCGUJCOISQUNW-UHFFFAOYSA-N 436.515 0.403 30 20 ICED C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 586850649 JZIMSKCNQUUZOO-KRWDZBQOSA-N 434.500 0.986 30 20 ICED CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604168859 KIYXJEXIGHHACK-UHFFFAOYSA-N 436.472 0.708 30 20 ICED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 615257174 ZSPRSAACVXKGNE-UHFFFAOYSA-N 428.493 0.467 30 20 ICED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)c1F 619696459 OTXJFRDBMGNZQY-ZDUSSCGKSA-N 443.500 0.876 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CCN(C)CC1 732796815 IUWUNBQYKPAOSV-UHFFFAOYSA-N 442.589 0.982 30 20 ICED CCc1nsc(N2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 743804862 YPXUBSOHXJBOAV-UHFFFAOYSA-N 434.547 0.878 30 20 ICED C[C@H](CC(=O)NS(=O)(=O)C[C@@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 744093978 YETACLOOAOMUOB-OLZOCXBDSA-N 429.520 0.519 30 20 ICED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cn1 746355474 YZSVMMMVFDGYTQ-UHFFFAOYSA-N 432.387 0.931 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749856366 GFDPJDGGEQLARC-INIZCTEOSA-N 444.557 0.907 30 20 ICED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cc1C#N 752391510 OBAVKSNKAUJPJN-UHFFFAOYSA-N 430.465 0.345 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C1 755534918 FXEFZZRYAMOLKA-DOMZBBRYSA-N 426.437 0.476 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 756763387 ZHMLRXHACRMXEV-HUUCEWRRSA-N 433.490 0.965 30 20 ICED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 759715439 HYONVKZUOOTUDV-SFHVURJKSA-N 432.462 0.769 30 20 ICED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 761684353 XDSGUGCRHOWRLZ-FAAOLEPKSA-N 437.497 0.836 30 20 ICED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCn1cnc2c(N)ncnc21 767628017 OCMVBWJIBRXUOE-GFCCVEGCSA-N 429.462 0.580 30 20 ICED Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccc(C#N)c(Cl)c3)CC2)ccc1=O 778630440 BIELJBZFAXQMGL-UHFFFAOYSA-N 429.864 0.920 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)c1 783463835 HKLADDZBYXBFOX-UHFFFAOYSA-N 437.408 0.935 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 788848638 KFORCWCVNZJPLS-MRXNPFEDSA-N 425.532 0.238 30 20 ICED C[C@@H]1c2nncn2CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 792355855 WREVZLHJBJCQGX-OETDOYICSA-N 445.505 0.633 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCc2ccccc2OC)cc1 798062003 JGVLFGYRMWKTMK-UHFFFAOYSA-N 429.498 0.695 30 20 ICED C#CCN(CC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 799088211 GRHFYSWWLUPTIA-CQSZACIVSA-N 430.408 0.603 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 799772959 SAPMGVQKKFCXKG-UHFFFAOYSA-N 442.582 0.473 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nc3cc(OC)ccc3n2C)n1 806666250 JIAMTPLVMCKPFH-UHFFFAOYSA-N 438.488 0.703 30 20 ICED N#Cc1ccc(F)c(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 807782524 XZUICZRDWBAQAZ-UHFFFAOYSA-N 436.387 0.744 30 20 ICED C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812250817 FPEGTHKNZMMKIT-GVDBMIGSSA-N 426.539 0.808 30 20 ICED CN(C)c1ncc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 814687582 MELYTZHPADSRIK-UHFFFAOYSA-N 435.466 0.918 30 20 ICED CC(C)Cn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C)c2)c1=O 837713338 IPRFQQRRPMUPDO-UHFFFAOYSA-N 431.562 0.734 30 20 ICED CCN(CC)C(=O)CN1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 913208758 JAJKGXNVAUIXAZ-UHFFFAOYSA-N 449.577 0.518 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1=O 914781823 KHUSNSNRSBIPKB-UHFFFAOYSA-N 445.907 0.613 30 20 ICED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOC 916198477 MNCYSVJNQRKVII-UHFFFAOYSA-N 445.541 0.993 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)CCC4)c2=O)cn1 920396835 RLIANHHOIGPGBM-UHFFFAOYSA-N 431.521 0.903 30 20 ICED COc1cc(C(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC(F)F 1116534665 URLMQGZWFUBQDT-FBMGVBCBSA-N 438.387 0.669 30 20 ICED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1286969138 OGLLGSNRPKOFBS-WMLDXEAASA-N 434.522 0.961 30 20 ICED CS(=O)(=O)N1CCC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1318587729 WODOWVIHXVFLSX-HOCLYGCPSA-N 433.490 0.303 30 20 ICED CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1503260294 PDABPPJVORUMEN-KRWDZBQOSA-N 430.490 0.892 30 20 ICED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1503374791 YDRYMSWVFPAIIA-UHFFFAOYSA-N 449.519 0.877 30 20 ICED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)C1 1510288974 QACQTSDJTTYUMX-IBGZPJMESA-N 435.554 0.680 30 20 ICED N#Cc1cccc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1644855801 MZROSQRAXUOUIR-IBGZPJMESA-N 442.497 0.929 30 20 ICED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1727602744 OBWZAXDXCKCNPY-UHFFFAOYSA-N 445.549 0.373 30 20 ICED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1729599619 QTYDTUQAAKSHOD-FGZHOGPDSA-N 439.520 0.497 30 20 ICED N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1731185187 TWOUSIAUVWGFDN-HXUWFJFHSA-N 447.517 0.505 30 20 ICED CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1750979396 IVWHKAHSWSEJRM-RDTXWAMCSA-N 425.559 0.933 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777714348 OMRFGWZCGUYDHN-QEVIJRNUSA-N 425.445 0.525 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(C)(C)C 1779014906 KORBQROCQNMIDG-ZBXNVRSJSA-N 435.569 0.839 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779066160 FYNUFHRUKZLGAK-QHCPKHFHSA-N 441.484 0.952 30 20 ICED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779110045 ZDPNMOHYNMRHJG-DOWHCJKDSA-N 439.509 0.935 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1779238011 AQWMVUHPQNLZAJ-OAQYLSRUSA-N 441.594 0.539 30 20 ICED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C3(C#N)CCC3)C4)CC2)CC1 1780651888 UUVXWAPGWAVWSC-AUSIDOKSSA-N 443.592 0.974 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1780877142 VRVIVBAQKBPZKS-OXQOHEQNSA-N 431.401 0.516 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949988 KHECYODNOQKOQS-JTSKRJEESA-N 427.505 0.675 30 20 ICED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(N3CCCC3)ccn1)C2 1782010338 NOQJCHQRHNSDCB-AUSIDOKSSA-N 440.500 0.897 30 20 ICED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1783680890 OHHAFUHAEYUGLX-QRTARXTBSA-N 434.518 0.628 30 20 ICED CC(C)Oc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1C#N 1785196898 RILUMCLAEUMWDE-YDHSSHFGSA-N 442.516 0.512 30 20 ICED O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)ncn1 1785639905 PFKTUDKBWNQEIX-ZWOKBUDYSA-N 434.452 0.820 30 20 ICED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=C/C(=O)c4cccs4)C[C@@H]32)n1 1785875621 SHJRJJKLJVCWIC-ZKORBPAESA-N 429.502 0.909 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1786859101 KNBUCTHWYXLLSR-DOCOLBGOSA-N 431.537 0.083 30 20 ICED 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COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)cc1 1795421720 YZHZEXSVDWYQTI-FEJSZKPUSA-N 442.516 0.985 30 20 ICED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798120402 LVIZMHSYZLKMKR-VPTLXERWSA-N 425.441 0.926 30 20 ICED C#CCCC(=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 1799156626 ITORDJUGZOYQSQ-JMEXBRRFSA-N 447.532 0.768 30 20 ICED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799365081 KSTJDFKOMCTNSB-AXVVYFOYSA-N 437.537 0.655 30 20 ICED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799875530 ULHSJAZCRCIMBR-FLTUCWPJSA-N 441.444 0.713 30 20 ICED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1803509195 NOUMATKZCUBUIX-PVAVHDDUSA-N 433.534 0.719 30 20 ICED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1803550385 NAVQFWGONQIIHW-IDHHARJASA-N 436.472 0.328 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1804373673 HKHNVBKVOUGNJP-YVSFHVDLSA-N 446.552 0.381 30 20 ICED C=C(C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1)C(F)(F)F 1807050036 WJOWZCDTUAGQGL-IJEWVQPXSA-N 427.427 0.799 30 20 ICED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807951151 YEKUADODJSRANK-HNAYVOBHSA-N 434.460 0.331 30 20 ICED O=C1CC(C(=O)NC[C@H]2CCN(C(=O)C#CC3(O)CCCCC3)[C@H]2c2cccnc2)=NN1 1810222383 IIHODPURUGHHAY-UTKZUKDTSA-N 437.500 0.662 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)CNC(N)=O)[C@@H]3c3cccnc3)c2c1 1812071693 GRGZEVTVODTJIG-FOIQADDNSA-N 446.471 0.817 30 20 ICED COCCOCCOCCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812934317 YTKCKIGOTYUYJS-GCJKJVERSA-N 447.488 0.245 30 20 ICED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814066606 IWHSBUDHTWTZJB-LAUBAEHRSA-N 436.472 0.706 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1819455418 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C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834965387 FETOZRWZBRNVAJ-HRAATJIYSA-N 441.525 0.559 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1835677424 QWKFWGONWUKDGM-OAQYLSRUSA-N 433.484 0.573 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797079 IJNYCSOOVXMAKJ-UGSOOPFHSA-N 425.511 0.596 30 20 ICED CCOc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1 1836201337 XKQZRYUKGQOTKO-UHFFFAOYSA-N 429.477 0.149 30 20 ICED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1837701127 CZRPPZXQFBKJNZ-UZUQRXQVSA-N 440.500 0.513 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838033556 IOUSREUKRSNFJQ-KUHUBIRLSA-N 426.420 0.387 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn(C(F)F)n4)C3)C2)c1 1838738007 LCJMUTUXZRYENV-LJQANCHMSA-N 434.403 0.862 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838853352 JCMTYDAOVPNUJE-KOIKXXGWSA-N 431.464 0.754 30 20 ICED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450665 CICADXUOGXTNNZ-NFBKMPQASA-N 442.516 0.851 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549338 AWILOQSFBUYMBI-VGOFRKELSA-N 426.473 0.443 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc5c4NC(=O)C5)CCO3)C2)CCC1 1839574645 VITRBMJGNQAPJB-QHCPKHFHSA-N 438.484 0.945 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C(=O)OCC)CC3)CCO2)C1 1839761653 UYSAFPSBDZWSNZ-IERDGZPVSA-N 438.521 0.359 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1839810442 XJWHTDIBPJNORU-KZULUSFZSA-N 426.395 0.233 30 20 ICED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839811493 YULIPGIPEKVVFD-HTAPYJJXSA-N 435.521 0.936 30 20 ICED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839889364 QVUMIOCUIHMWBS-KXBFYZLASA-N 439.463 0.945 30 20 ICED Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1 1840043049 FJZJKEJDZSEVOS-JOCHJYFZSA-N 445.472 0.092 30 20 ICED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840161995 IPWJXLNBBWNSLM-YWZLYKJASA-N 431.518 0.656 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840197880 BLPICPNIZCBUQG-NQIIRXRSSA-N 433.530 0.742 30 20 ICED COc1cccc(Cl)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840737974 GFHWPBLMCZZAAL-HXUWFJFHSA-N 436.848 0.507 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840819978 RKQZIVSUVWEXKP-QHCPKHFHSA-N 449.467 0.907 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1840840442 SLEPKXGYRLNQNF-QFIPXVFZSA-N 443.525 0.933 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC(N)=O)C2 1847069951 UJTMSYVVOGVDIM-GJZGRUSLSA-N 435.525 0.553 30 20 ICED C=CCNC(=O)NC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 15486292 JYMJAJOLRXBSPH-UHFFFAOYSA-N 425.467 0.132 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 16559311 OJCZBAILCWFHGB-LBPRGKRZSA-N 442.453 0.952 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 218767423 AQCBATBXMUTUGG-UHFFFAOYSA-N 438.450 0.842 30 20 ICED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 410137942 ZDSXXOCOFMTQMS-HNNXBMFYSA-N 429.568 0.049 30 20 ICED CCN(CCC#N)S(=O)(=O)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 410154434 NQAMLGFLZOORKI-LJQANCHMSA-N 447.561 0.848 30 20 ICED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)n2)cc1 427671568 JAYDUKSRUCDHFA-MFIJVWRZSA-N 444.495 0.762 30 20 ICED CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443074921 ANBGMMCWOXLIRN-UHFFFAOYSA-N 438.462 0.889 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3C#N)CC2=O)cc1 461862018 UPYYUCFAMHMTCW-DOTOQJQBSA-N 434.518 0.821 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1C#N 472165673 YYJCXYLBXSXYJD-UHFFFAOYSA-N 425.493 0.300 30 20 ICED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OCC)n2)c1=O 477452556 LVBCJTFZGODYGA-UHFFFAOYSA-N 428.514 0.545 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 481283660 ZWDKVSIBGDPVAY-QAPCUYQASA-N 435.550 0.284 30 20 ICED COc1cnccc1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 485090487 VAOCPCSMVDTHIP-UHFFFAOYSA-N 446.471 0.889 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCCC(=O)OC 501772928 XUIQJXYTFOKYAT-UHFFFAOYSA-N 425.510 0.977 30 20 ICED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 501927094 RNYZFJVERWQOHN-HNNXBMFYSA-N 434.497 0.385 30 20 ICED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516358038 WEYVWAWOYXGUMA-GDBMZVCRSA-N 428.536 0.061 30 20 ICED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(N)=O)cc3)c2=O)s1 518712923 IKAQLKGQYSMOID-UHFFFAOYSA-N 438.534 0.871 30 20 ICED C=CCN(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 523064477 PBHITCPWEPCZBF-SFHVURJKSA-N 426.560 0.732 30 20 ICED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523179263 IILQLRYFVKFGGN-INIZCTEOSA-N 449.536 0.597 30 20 ICED Cn1c(=O)c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n(C)c2n(C)c1=O 523334083 DWVIERLGXJGEQX-UHFFFAOYSA-N 448.483 0.938 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 541203054 NNCMIUQIIPKKBF-KRWDZBQOSA-N 438.488 0.582 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 543617184 SHHCMTUFLBOXOO-INIZCTEOSA-N 449.519 0.873 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 545148655 AHIFIOYOMSGQGH-MRXNPFEDSA-N 440.460 0.783 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2=O)cc1 552289126 PHLZRMQLBCESOC-HOTGVXAUSA-N 437.422 0.528 30 20 ICED CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)NCC#N)cc2)cc1 553308823 WOAOMNKGCPDHPT-UHFFFAOYSA-N 428.470 0.737 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 567773198 ICAPFJNQHHZILY-UKRRQHHQSA-N 427.431 0.831 30 20 ICED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2)c1 568970071 CMPSIPVPGTWDOS-IBGZPJMESA-N 447.499 0.304 30 20 ICED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 576037601 NKSRAEWAJJHMFV-SECBINFHSA-N 441.325 0.649 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccco3)CC2)cc1 604048019 XUXPMPJYQRSHFX-UHFFFAOYSA-N 431.474 0.484 30 20 ICED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)cc1C 611174587 LWPUTKHTUGNOAQ-UHFFFAOYSA-N 433.578 0.668 30 20 ICED N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2=O)cc1 617023123 IZXJLUXNYFYZKV-SFTDATJTSA-N 440.548 0.365 30 20 ICED N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 730099061 YPFFUMPEPLBRMC-ZACQAIPSSA-N 433.534 0.591 30 20 ICED CCOCCS(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 732506145 DEDXLNFPRZDLLX-AWEZNQCLSA-N 431.536 0.622 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 733150438 JRUVLQJCSQQMAW-UHFFFAOYSA-N 429.502 0.815 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739830363 RTRAUOXMYMYYGE-UHFFFAOYSA-N 448.888 0.899 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)ccc2c1=O 751532211 WWVLPWBHSFLQFT-HNNXBMFYSA-N 427.486 0.980 30 20 ICED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)n(C)c2n(C)c1=O 751649172 JKOKRRAZYBMTSM-CYBMUJFWSA-N 427.442 0.471 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C#N)CCOCC2)CC1 767399668 XPOBGYLFCZGFFS-UHFFFAOYSA-N 446.485 0.255 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCCN(c2cnn(C)c2)C1=O 767672915 AKKAZLNYTCDWPP-SUMWQHHRSA-N 431.474 0.697 30 20 ICED CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc[nH]n1 770823096 YSJYHKZRZVRHAH-UHFFFAOYSA-N 443.460 0.482 30 20 ICED COc1ccc(C(=O)[C@H](C#N)C(=O)c2nccn2C)cc1S(=O)(=O)N1CCOCC1 770872053 QTHNATRDVHKHQF-AWEZNQCLSA-N 432.458 0.655 30 20 ICED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CN(c2ncccn2)CCO1 774626559 JPVMJXXYPOBODA-GOEBONIOSA-N 431.474 0.464 30 20 ICED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)c1 779478566 DVGXTFCYRCOCIL-YWZLYKJASA-N 429.498 0.759 30 20 ICED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 783545312 PXFSEJFBTXFDHY-GASCZTMLSA-N 430.548 0.815 30 20 ICED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 786253288 JPSMZIXFDQKVFV-UHFFFAOYSA-N 439.519 0.303 30 20 ICED CN(C[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 795655400 SEZPXAYXRLYJEM-SFHVURJKSA-N 433.534 0.883 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797511673 GFBQKTYJZDFUPG-XOBRGWDASA-N 437.518 0.993 30 20 ICED C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 802555894 DOPQZGWHHDBALX-HNNXBMFYSA-N 426.477 0.685 30 20 ICED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807534650 KMKHVJWPEOCPRA-QGZVFWFLSA-N 437.518 0.819 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 807902861 LUFVOOSSLPHAHZ-HNNXBMFYSA-N 439.559 0.532 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 810463346 UANDAAMXUAHKTQ-JHOJOOQCSA-N 444.517 0.835 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816130319 HUWVQLABBSTHOT-VCXDHIOWSA-N 430.398 0.078 30 20 ICED CCN(CC)C(=O)CN1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 819787103 JEJBSQZCRUUTCT-UHFFFAOYSA-N 435.550 0.174 30 20 ICED C#CCNC(=O)[C@H](C)OC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 820023255 LXZQMKJWHSQDKC-HNNXBMFYSA-N 444.513 0.837 30 20 ICED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1144923932 YRUUHUYCGVVDJM-IRXDYDNUSA-N 435.502 0.341 30 20 ICED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(N4CCCS4(=O)=O)CC3)C2=O)cc1 1227633293 WJKKKPSJGFMYLN-LJQANCHMSA-N 445.545 0.869 30 20 ICED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 1321457372 NYJWZZGUZTZKHS-UHFFFAOYSA-N 433.486 0.079 30 20 ICED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2=O)cc1 1327866077 IURJIRYLLWDJGA-HOCLYGCPSA-N 429.458 0.574 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1454881711 ZAOFKTXNNZFDEU-DOTOQJQBSA-N 434.493 0.382 30 20 ICED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1558677175 GDPJRTCMDSQSPZ-QGZVFWFLSA-N 428.470 0.978 30 20 ICED N#Cc1cc(F)ccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1684071597 VIVJHQYCRNRGCS-UHFFFAOYSA-N 441.554 0.908 30 20 ICED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)C1 1698484606 SVFXEEOACKURTQ-WMLDXEAASA-N 427.502 0.554 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CCO1 1698492680 JBTFOIZDYWZWBW-QGZVFWFLSA-N 430.440 0.584 30 20 ICED CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765789526 MIICRFOJFVBJHC-DLBZAZTESA-N 437.570 0.588 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1779107282 PRSZXSJJSAMDTG-XUYQLWACSA-N 447.492 0.474 30 20 ICED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1779135846 HPRZOLKUIRUHIE-SZZBOLBSSA-N 431.367 0.634 30 20 ICED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779377644 HPLHGNZPJOEDNA-RZQQEMMASA-N 441.598 0.785 30 20 ICED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779410755 SILCLJIRINQHTC-WTIAFYNJSA-N 435.565 0.919 30 20 ICED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)nn1 1779897504 HVUAQYGIUGNGRC-QFIPXVFZSA-N 428.489 0.627 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058199 PZOJJVQCZRCFHV-PXNSSMCTSA-N 431.518 0.487 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)c1 1780169275 PEAMCNQUMQRNED-QVKFZJNVSA-N 449.529 0.691 30 20 ICED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c(C#N)c1 1781176096 VZBGKKMGWFGEOI-YCRPNKLZSA-N 439.476 0.187 30 20 ICED COCCOCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781380204 IJUBSIUQCPVRCY-OAQYLSRUSA-N 441.525 0.206 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814597 PWKJSTIWEBMBHI-NRFANRHFSA-N 434.445 0.756 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)[C@H]2C1 1783476110 RNDMKWYWDZDBQR-SVQXRNPESA-N 448.520 0.612 30 20 ICED COc1ccc(-c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]2)cc1 1783561999 XASAUSMPISUGMJ-QFIPXVFZSA-N 438.440 0.617 30 20 ICED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2)C1 1783602650 ITIKURSNEMLJBC-QVKFZJNVSA-N 439.509 0.849 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1785572181 INSOIZIGQMMASW-XOBRGWDASA-N 449.533 0.898 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788628103 UCMCABOLJGQYCW-RSJGLCBASA-N 431.537 0.830 30 20 ICED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788701401 OCMOVHQRESLWEG-FTAMUGHTSA-N 449.577 0.529 30 20 ICED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1N(C)C 1789820726 XGSZVTJLTITCEG-BXWFABGCSA-N 429.473 0.443 30 20 ICED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ncon4)C[C@@H]32)c(C#N)c1 1789841381 IFXARGAADMWYMR-WBAXXEDZSA-N 425.445 0.786 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)[C@H]2C1 1792223157 KLFYLMZZHWARAT-QBYUYEEZSA-N 437.493 0.056 30 20 ICED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792423036 PQEZXJDBPQVQDV-CEQLMSFQSA-N 426.517 0.995 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832511 VSNLLAIIKYGPET-AJYBTWMASA-N 427.505 0.527 30 20 ICED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793385345 LFJMIHOYPRJPQY-RGHULWKBSA-N 431.555 0.374 30 20 ICED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1793562641 UCLJRQIBPRPUEE-UYTYNIKBSA-N 437.537 0.939 30 20 ICED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)cn1 1794950066 FQIALFTVPZJITM-VPTLXERWSA-N 439.447 0.942 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c(F)c1 1795597990 OOJGTUXRSGTSPO-XOIINTDNSA-N 433.484 0.714 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c1 1795639014 DCENPXXTRAVUET-QFNVCVKDSA-N 427.505 0.110 30 20 ICED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)C(=O)O 1795641694 VWWYBRTUJYPDEW-BMQTXXJKSA-N 428.489 0.143 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1797811673 RKWBCRUYGOZCOQ-HJLUTSNXSA-N 442.476 0.690 30 20 ICED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(-c3ccccc3)ns1)C2 1800775868 LUVALUCLWXPCBD-XOIINTDNSA-N 426.454 0.496 30 20 ICED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)c1ccc(O)cc1 1801053787 NYOQXWSEEOOHQO-FSTVOOFJSA-N 438.484 0.355 30 20 ICED N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1807055605 RSGRBYYITMGUKT-FXAWDEMLSA-N 426.521 0.269 30 20 ICED COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(N)=O)CC3)c(C#N)c1 1822811356 BWNMYZXPGYADCS-ZDUSSCGKSA-N 442.501 0.846 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1823745385 GMDOEZNGTPJIGT-QVOWHETESA-N 445.520 0.063 30 20 ICED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800561 FUPQGSFIDNKASU-WBVHZDCISA-N 431.470 0.922 30 20 ICED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1826933357 LAQVSSQOAAFPDQ-QIHAAUELSA-N 431.537 0.911 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1828580516 SZXQVHUIKNGROO-MBSDFSHPSA-N 442.516 0.436 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1828882286 PBBSJCDYCAOVBX-SJORKVTESA-N 434.537 0.731 30 20 ICED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)c4cccs4)C3)C2)C1 1829663288 JQFAWMOQFJVQCO-NRFANRHFSA-N 433.530 0.901 30 20 ICED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)C1 1829663989 RYKNCLOPHWFMCM-JOCHJYFZSA-N 425.489 0.854 30 20 ICED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061646 QDBKASXBEOJXJN-KSFYIVLOSA-N 443.504 0.206 30 20 ICED COC(=O)c1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830891009 QNFUZZOQLIEZSN-JOCHJYFZSA-N 429.473 0.776 30 20 ICED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ccn1 1831213196 HFLFEGOJXGIPRG-JOCHJYFZSA-N 426.473 0.523 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncccc3C)C2)C1 1831386376 GFZDETQLOOYMAF-XXBNENTESA-N 429.517 0.817 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC(C)C)nn3C)C2)C1 1831394268 ZULXIIGOKOPYIZ-JPYJTQIMSA-N 446.548 0.727 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831495721 JKLXKTCPFKHIMN-ICSRJNTNSA-N 438.550 0.526 30 20 ICED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1832452032 QEEJOIDBSSJGQV-GHTZIAJQSA-N 434.562 0.847 30 20 ICED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1833238850 JKBZUWROKHPLEV-OPAMFIHVSA-N 438.488 0.826 30 20 ICED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1833449132 HUEYXHMLWUAUJB-HNNXBMFYSA-N 427.571 0.190 30 20 ICED N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccno2)CCO3)ccc1F 1834153487 VUYXAECFKYCCOH-OAQYLSRUSA-N 428.420 0.998 30 20 ICED CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834401573 IEBZWQGVDFMOQX-VOTSOKGWSA-N 447.580 0.959 30 20 ICED O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835768045 JELPGSWFXPBHKX-DMGJQLCPSA-N 449.552 0.223 30 20 ICED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCCS4(=O)=O)CC3)CC2)c1 1836171585 QCBNNCAFBZYJPG-IBGZPJMESA-N 447.561 0.649 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(F)(F)F 1836508065 IWPNRZSJRLYCEX-OAHLLOKOSA-N 433.343 0.506 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C(=O)OC)nc4)CCO3)C2)C1 1836545101 SLKFHQUSNFGSMB-JOCHJYFZSA-N 429.473 0.904 30 20 ICED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837287227 PBJVELAALOHQIE-FGSUIDRYSA-N 438.528 0.968 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1837399086 NEIKZBWCRYSYGW-HYFFOGBASA-N 439.553 0.321 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486764 OAEKNZUQVMXHEZ-AUSIDOKSSA-N 432.517 0.180 30 20 ICED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837680351 IFNSVOZFILTIEA-XXBNENTESA-N 447.532 0.849 30 20 ICED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cs1 1838732390 OAEWNQGKRWMYHT-FQEVSTJZSA-N 429.502 0.964 30 20 ICED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952139 DKDLXOGEUAWEOG-NFBKMPQASA-N 442.516 0.933 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516174 DJWVJUXDPYQYGT-HRAATJIYSA-N 434.493 0.327 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1839578140 SKOLYGYYRZWGCN-HXUWFJFHSA-N 445.501 0.500 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839694845 VLOKOYJOZGGJRD-DBUDBSQRSA-N 433.530 0.176 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(Br)n3)C2)C1 1839809085 PRISMAITXDASBM-SFHVURJKSA-N 438.278 0.556 30 20 ICED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1841259620 HUIUNKMYDUPCGH-UHFFFAOYSA-N 432.444 0.134 30 20 ICED C#CCCCC(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014440 HKLDZXLYRPBFOU-UHFFFAOYSA-N 442.541 0.848 30 20 ICED CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846131409 BAQKXUDXMQUFOU-IVZQSRNASA-N 431.489 0.925 30 20 ICED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cc1 410103655 CWXIZYQXXNPPHR-DLBZAZTESA-N 442.563 0.455 30 20 ICED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCO[C@H](C)C2)O1 430484957 IGVHAPMRBRTQLW-ZMPRRUGASA-N 438.488 1.322 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CCC1 430972314 PBZNAISIWKSKKM-UHFFFAOYSA-N 428.470 0.809 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCC(=O)OC 440383605 APNJVZGMOHXCTB-UHFFFAOYSA-N 426.454 0.133 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 441938624 ULALAUKIYURUTM-ZDUSSCGKSA-N 444.538 0.145 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(CC)CCC#N)cc1S(=O)(=O)N1CCOCC1 446875845 AVFPIHICMHTQJC-UHFFFAOYSA-N 438.506 0.807 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c(F)c1 463601779 UIZWSDCMULUWOA-JYBIWHBTSA-N 426.448 0.898 30 20 ICED C=CCn1c(O)nnc1SCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 470818616 ARAIJMQKOMXCJP-INIZCTEOSA-N 445.501 0.773 30 20 ICED CN1C(=O)CO[C@@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 471039136 DPDVTLWVVRBWRG-DXCYYJPDSA-N 434.456 0.190 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480949009 HAUDPDGGROTVAQ-UHFFFAOYSA-N 442.472 0.741 30 20 ICED C[C@@H](C(=O)N(C)CCC#N)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 498056872 DWONKKRENSSLHU-INIZCTEOSA-N 436.534 0.915 30 20 ICED COCc1nc([C@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 501924324 RERKUXNZAPYAOB-IUODEOHRSA-N 435.462 0.355 30 20 ICED COC(=O)C1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1 503244764 VDNPWMBLJWIRBG-UHFFFAOYSA-N 446.447 0.883 30 20 ICED CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513003532 FBUQNCJKGIHDJF-UHFFFAOYSA-N 436.469 0.609 30 20 ICED N#C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@]12C(=O)Nc1ccccc12 513986100 WLHMYXRUWPPEAH-IVZQSRNASA-N 435.488 0.826 30 20 ICED CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 514530286 RSRDWZGVYWLJJC-SFHVURJKSA-N 448.545 0.666 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1=O 515708452 LGNICVGEDTUGIF-OALUTQOASA-N 430.574 0.966 30 20 ICED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 523256552 MGOCPNRKCLYPDP-UHFFFAOYSA-N 433.493 0.421 30 20 ICED Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)o1 530282409 RAUTXAICJAYWGM-INIZCTEOSA-N 439.538 0.676 30 20 ICED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 544161863 NGQUTSUMMCEEKJ-OAHLLOKOSA-N 440.460 0.567 30 20 ICED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)nn1 544752515 LVUAMONXRKQIAV-UHFFFAOYSA-N 428.453 0.690 30 20 ICED C=CCn1c(Cc2noc(CSCC(=O)N3CCOCC3)n2)nnc1N1CCOCC1 546351481 MGIMCQTVFGVUOQ-UHFFFAOYSA-N 449.537 0.367 30 20 ICED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CC1 555862791 JBBLOHHCHPDIIB-CQSZACIVSA-N 433.939 0.842 30 20 ICED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 561129429 VXICXHHLGQXTEP-HNNXBMFYSA-N 427.896 0.891 30 20 ICED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 564216380 XHMAUQIHLKXBCO-KHFRWJKUSA-N 434.566 0.445 30 20 ICED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CCO)C1 570763418 MWIBBIFXKGMJAP-COPCDDAFSA-N 434.585 0.464 30 20 ICED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 572387427 AUPPDHVFZOWEAE-UHFFFAOYSA-N 442.519 0.463 30 20 ICED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 574840585 QBWYHZHNDFVNDR-FQEVSTJZSA-N 446.511 0.909 30 20 ICED Cn1cnnc1C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 576902595 PNFMIIFABPUAKC-SFHVURJKSA-N 435.488 0.310 30 20 ICED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(=O)N(C)C)c1C 590051875 IHXQUCXMBRVECZ-UHFFFAOYSA-N 449.536 0.734 30 20 ICED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)CCN2C1=O 590235737 MOQSZPKRDOWMFX-CYBMUJFWSA-N 434.250 0.754 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(OC)c2)c1=O 603795336 UNZMKLAHMVJYTO-UHFFFAOYSA-N 440.569 0.996 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccc(C(N)=O)cc1 608828484 XCXTVSNBTPLDCA-UHFFFAOYSA-N 444.925 0.962 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 728533976 FBUOISKNWYUJEG-IBGZPJMESA-N 442.516 0.202 30 20 ICED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 728535733 PLEUOCNJGBZRGO-UHFFFAOYSA-N 446.573 0.805 30 20 ICED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 729177169 SYPARAYAACJQDN-ZWNOBZJWSA-N 435.296 0.322 30 20 ICED C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NC[C@H]1CCCO1 734188535 KATJGJVFXCOABA-XKQJLSEDSA-N 428.445 0.990 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 735590660 JJGRFCNDZQXPEM-XBYUIDQRSA-N 435.550 0.894 30 20 ICED C[C@H]1CS(=O)(=O)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 739744313 GACQAGOTCHLPFO-AWEZNQCLSA-N 427.548 0.931 30 20 ICED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744037521 XLEIMNXIPDVWGZ-FAJAVTLNSA-N 439.468 0.615 30 20 ICED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748575925 KYOIRPFIUCHVAC-AWEZNQCLSA-N 437.474 0.213 30 20 ICED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(N)cc2F)CC1 754959616 VFQCCFIVILIMCV-UHFFFAOYSA-N 446.460 0.969 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc(S)n2CC)cc1 755362381 QHIURSMYZMBLFC-UHFFFAOYSA-N 438.535 0.648 30 20 ICED COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 762686115 KTOSSETWUXGWMI-AWEZNQCLSA-N 440.522 0.445 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C(C3CC3)C3CC3)c2=O)c1 763458310 PSEGTDNZAYTPEB-UHFFFAOYSA-N 438.553 0.971 30 20 ICED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc4c(c3)OCO4)c2=O)c1 763458679 UGVYLGVFGSWHNN-UHFFFAOYSA-N 434.477 0.748 30 20 ICED N#C[C@@H](C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1nc2ccccc2s1 772747920 XQKBPWYZKBQVNA-AWEZNQCLSA-N 439.497 0.766 30 20 ICED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 774377830 OPGKXQCZIUSNNE-GFCCVEGCSA-N 429.449 0.575 30 20 ICED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 774476071 ZQKROXNLQUTTOJ-QNGOZBTKSA-N 437.478 0.005 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2=O)cc1 781050586 XVDBQKIWUZDYBE-AEFFLSMTSA-N 425.470 0.900 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)cc1 785339974 NNHBDRJMHFGGNL-OFXNXBLFSA-N 448.501 0.746 30 20 ICED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 793194778 YINXCKPYRVCJFV-ZDUSSCGKSA-N 429.495 0.976 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1 797388773 YZCZHNXKKVZSTJ-UQRWVXEISA-N 435.506 0.162 30 20 ICED COC(=O)N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 804010020 GDXPQHTZOJOHIH-DOTOQJQBSA-N 427.461 0.517 30 20 ICED C#CCN=c1nc(N2CCO[C@@H](C(F)(F)F)C2)[nH]c(N2CCO[C@@H](C(F)(F)F)C2)n1 804484917 JSWUHOFSKMKQLV-GHMZBOCLSA-N 440.348 0.874 30 20 ICED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 811187696 LMPQEZDJHRIWBD-HNNXBMFYSA-N 438.506 0.589 30 20 ICED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C1CCC1 814253380 XMCLBVMJLMNSCR-UHFFFAOYSA-N 429.546 0.897 30 20 ICED NC(=O)c1ccc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 915655144 VHHNETPBLYRVJT-UHFFFAOYSA-N 441.513 0.168 30 20 ICED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917355154 UQFARLPVFLDCFR-UHFFFAOYSA-N 443.573 0.812 30 20 ICED CN(C)C(=O)COc1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918097890 MNYZSURPESZALQ-UHFFFAOYSA-N 430.486 0.509 30 20 ICED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)CCO1 1303010006 QOAVACSLQPPMFW-OAHLLOKOSA-N 430.440 0.584 30 20 ICED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 1319319072 YIWGSBDLAMIFJW-IYBDPMFKSA-N 442.563 0.413 30 20 ICED C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1509948113 NELMSALISCZDGQ-FOIQADDNSA-N 443.533 0.805 30 20 ICED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1539803932 OMVBKKVPXKRWJY-ZDUSSCGKSA-N 431.946 0.664 30 20 ICED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1555388939 MBRIGHRSCBNOCE-KRWDZBQOSA-N 434.522 0.560 30 20 ICED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1565661790 MXFQNDOKLLYAJD-LSDHHAIUSA-N 427.324 0.850 30 20 ICED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1618821689 SWPJIKSHODLNCJ-YRNRMSPPSA-N 436.534 0.773 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(O)c1 1692792783 FEQONKQWAFDHCX-RHSMWYFYSA-N 445.549 0.819 30 20 ICED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C1 1692844926 SHZYSWBCUOMFRD-HXUWFJFHSA-N 427.513 0.818 30 20 ICED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)CCOC1 1696048940 PJVAHGDIEGFTMC-SFHVURJKSA-N 426.543 0.562 30 20 ICED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1710898809 ONNOFVAFSATZEP-CALCHBBNSA-N 434.522 0.606 30 20 ICED CC(C)NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741697132 AIZTXEAAYRJQKP-INIZCTEOSA-N 437.508 0.627 30 20 ICED CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1769362717 RWELCSYRLIMUML-KGLIPLIRSA-N 438.485 0.835 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777847849 BQCBOAGEFBNKKV-OPAMFIHVSA-N 445.520 0.902 30 20 ICED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(F)(F)F 1779100790 YHMGFOBKTVNFSC-MPLYSUEPSA-N 437.415 0.659 30 20 ICED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779217988 ADSGWFACAYEBKB-FTRGIBNQSA-N 434.497 0.273 30 20 ICED CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1779223397 VIFRKOYCWWRMRJ-UGAZBFNKSA-N 440.610 0.941 30 20 ICED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362830 RQMSRKRLWUQIHA-ONXXKREJSA-N 436.557 0.419 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)CNC(N)=O)C3)c2c1 1783288373 NYUFPZDJJRTCHL-IIBYNOLFSA-N 439.476 0.230 30 20 ICED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C[C@@H]32)C1 1783468468 ZGBFUPWRYQNEIG-QLIIJSOBSA-N 429.521 0.403 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 1783533058 NFKXDEFLGOQBHQ-NCDLLYBNSA-N 441.532 0.353 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cncc(C(F)(F)F)c3)C2)C1 1784301579 SIHPTPOUXSWBEZ-LJQANCHMSA-N 439.390 0.951 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)c(C#N)c1 1784532941 KQFJEDMJBFTRFH-JOCHJYFZSA-N 438.488 0.621 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C(F)(F)F)n3)[C@H]2C1 1788879325 GMOMVWHFGGFQKQ-OBJOEFQTSA-N 425.363 0.782 30 20 ICED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)c(C#N)c3)[C@H]2C1 1789906882 TVSFRLUBQBJGIX-QQDKQVRDSA-N 442.491 0.910 30 20 ICED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(C)(C)C#N)C[C@@H]43)cc2C1 1790522594 KTJDEXPICFDRKJ-IEZWGBDMSA-N 428.537 0.862 30 20 ICED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21 1791270768 WBVMTTNAOFUKSE-SZMVWBNQSA-N 444.557 0.675 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1792834807 CCFFEYSXAMSZHN-ZSBFGKGUSA-N 442.859 0.796 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2 1795598502 VDMNJGAPOSSXDB-QDMKHBRRSA-N 432.550 0.901 30 20 ICED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798459938 RRGBSYJBXBMOQS-HGKCTWBKSA-N 443.504 0.517 30 20 ICED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)c1 1798579992 GOMGQWNSZMSOIC-JLVBRIDZSA-N 442.501 0.680 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc[n+]([O-])cc2)C3)c(C#N)c1 1799238730 XTGFRTXUSAQOIZ-HATOLVCRSA-N 436.468 0.646 30 20 ICED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C3)CCC2 1800047666 AHHRIZWIKQCFFP-NVTYBUQISA-N 425.489 0.824 30 20 ICED C=CCC[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 1800778476 BWVRKRPGFLPJTF-YYAJDYIMSA-N 449.504 0.524 30 20 ICED C#CC(=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 1801601445 JPDODJQJYHDQIT-FZKCQIBNSA-N 441.550 0.586 30 20 ICED CC(C)Oc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc1C#N 1802165684 QUMPSIJLHZCAEZ-HGKCTWBKSA-N 429.477 0.217 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1807147454 KWMMLMOAZJUICH-CRAIPNDOSA-N 425.493 0.245 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809597150 DDTSGFNGSLARHT-KAGYGMCKSA-N 427.549 0.373 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)c1 1811538522 FYHNLDIOWNKJHV-YJBOKZPZSA-N 446.404 0.326 30 20 ICED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176044 PJHXVPUAUHXISM-YSGRDPCXSA-N 430.530 0.967 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 1815438967 VSYVZQYSCRULOZ-QIAWRQBBSA-N 441.513 0.775 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816623379 MUUYJNXASRGEHB-CJNGLKHVSA-N 439.476 0.694 30 20 ICED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)[C@@H]1SC(=N)NC1=O 1818101756 ZDZYDDLFXMWUGN-ISOBSLSZSA-N 432.462 0.292 30 20 ICED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)[nH]n2)c1 1820306357 CCLWZIDPRRGUAG-OAHLLOKOSA-N 446.431 0.960 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1824486838 AFKRHTJBSVQOCW-LPHOPBHVSA-N 441.532 0.898 30 20 ICED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1829781701 DQYBGEADNHHZRZ-KKSFZXQISA-N 441.525 0.500 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829873764 UQFVZAUXFJOJLA-DRRDTLGUSA-N 438.525 0.068 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(C)n1)CCO2 1830912928 OTERLZJOKWWRJW-XBKFQHLESA-N 442.516 0.247 30 20 ICED COc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207403 IPLJXHWJBLLWCM-HSZRJFAPSA-N 428.485 0.944 30 20 ICED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1C(F)(F)F 1831208953 CHAKHMAFPRCACU-IBGZPJMESA-N 440.422 0.922 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832348115 XEUVXGSLKFHTJR-AVRDEDQJSA-N 438.521 0.911 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3)CC2)CC1 1833100509 GWMHBAHGNNESDA-UHFFFAOYSA-N 432.613 0.936 30 20 ICED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(-c5cccnc5)c4)C3)C2)CC1 1835341160 QWHFZDNVRWWQIS-JOCHJYFZSA-N 436.472 0.641 30 20 ICED Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c2ccccc21 1835356834 OYJCQODHYYZJHT-JOCHJYFZSA-N 441.488 0.100 30 20 ICED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835365969 ZZDZPJGVJVECGU-QFIPXVFZSA-N 428.489 0.485 30 20 ICED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)CCO2 1836321690 BIYVLWWQRJQVJY-GOSISDBHSA-N 437.378 0.956 30 20 ICED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1836825698 RGUDEVXIDSYKEP-UHFFFAOYSA-N 428.489 0.973 30 20 ICED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(C)C 1837222888 RTWHHMIILOJMBH-LQNSEHGTSA-N 449.504 0.743 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837397686 SDGFRDBQMZZRIX-HTAPYJJXSA-N 443.504 0.601 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837399077 NCLJDZREUINKLL-OGPLKVJOSA-N 436.553 0.488 30 20 ICED Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445234 LKFJZAVUPIFTBD-ZZAWEDPDSA-N 431.537 0.875 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837486531 IBLHOBOJNRZICZ-CVDCTZTESA-N 434.533 0.711 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837525973 AOLHATGPCPWQCR-HCQBAUJFSA-N 446.504 0.610 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837529540 VHOKEFSEQKGYLW-CQKDBGJQSA-N 431.436 0.627 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837837427 BUCQDLVVDCPSHF-OJJSKHJLSA-N 447.879 0.912 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838336414 GNJYAEWHTJLPEP-XZEIMLRBSA-N 428.445 0.102 30 20 ICED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838431130 KISHKCZGFMFFAX-QFIPXVFZSA-N 425.489 0.993 30 20 ICED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228785 OTFXWFQBGTZIGM-PLMTUMEDSA-N 440.541 0.549 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1839422220 JKQHRALURPCHTR-AOMKIAJQSA-N 444.463 0.294 30 20 ICED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c1 1839453791 DBEDCVYBMSKJJG-OAQYLSRUSA-N 447.513 0.755 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549758 PXBUBBBSCLVYHR-HTAPYJJXSA-N 428.489 0.995 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839554277 YYIOZKSAZHRDOU-KSFYIVLOSA-N 444.463 0.582 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)C2)C1 1840044939 IPDGWEKIGQOQJJ-SPYBWZPUSA-N 446.422 0.900 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840108299 ORMJAQVBVUSFDM-GCKMJXCFSA-N 441.525 0.293 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1840158198 IQGSRKYYOVBUOC-IIBYNOLFSA-N 437.562 0.906 30 20 ICED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840163886 QZZWRWLTNVZEFX-ORAYPTAESA-N 439.490 0.997 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1840818585 KOJBMXPVEVVLLN-NRFANRHFSA-N 425.445 0.430 30 20 ICED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4C#N)CCO3)C2)c1 1840818961 HSOLFYXVRYSWDI-JOCHJYFZSA-N 439.472 0.441 30 20 ICED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840819229 XIAYKBNDAUYGHN-PGRDOPGGSA-N 430.505 0.391 30 20 ICED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897277 UBLVXWCDHZNZBA-LJQANCHMSA-N 439.559 0.107 30 20 ICED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842778244 ZJYDPDXFPACTMU-CQSZACIVSA-N 429.539 0.704 30 20 ICED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1844386286 UTRRPUWIDHSDNS-LJQANCHMSA-N 428.489 0.464 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CCCC)NC1=NS(=O)(=O)c2ccccc21 11545604 FSFDLDLRTDOOEE-CQSZACIVSA-N 436.490 0.839 30 20 ICED Cc1sc2nc(CN3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)[nH]c(=O)c2c1C 28740545 GRCRPIPOVXOIQA-UHFFFAOYSA-N 441.517 0.193 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2cccc(Br)c2)c1=O 30531627 NKLDPSMQGDAWJP-CQSZACIVSA-N 438.278 0.746 30 20 ICED CN(C)CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 434775457 NEQWYHNBXKLVAB-GOSISDBHSA-N 430.534 0.907 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 435165243 NHRXOZFPOVPUOV-CQSZACIVSA-N 449.562 0.951 30 20 ICED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435165266 NJLSTZJIEJIAPQ-UHFFFAOYSA-N 432.424 0.935 30 20 ICED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 438100576 QBLMEMWPXGLKGE-UHFFFAOYSA-N 441.513 0.828 30 20 ICED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)n1 439403032 MSWMKSZVMJMJGH-UHFFFAOYSA-N 436.881 0.615 30 20 ICED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)C1=O 440260439 YTGBJKMCFDGKRL-HXUWFJFHSA-N 441.532 0.535 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 441947714 FFXWJIRDJIILOE-ZDUSSCGKSA-N 426.523 0.685 30 20 ICED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441960588 XMQCAGWBWFAHGV-AWEZNQCLSA-N 426.498 0.686 30 20 ICED Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(=O)(=O)NCC#N 465135556 ZACRQPWFPBYBAM-HNNXBMFYSA-N 439.501 0.809 30 20 ICED Cc1c(C#N)c(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)n(-c2ccccc2)c1C 471029649 HVELEEFPSRTLQC-UHFFFAOYSA-N 444.561 0.810 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCOC2)c1=O 478851474 GILZUGWBJRDKIS-HZPDHXFCSA-N 442.541 0.661 30 20 ICED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(N2CCOCC2)c1 480134114 FCMWBOLFYVCDTB-OAHLLOKOSA-N 429.502 0.773 30 20 ICED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC 481775894 HFGFCASXLYTTCA-RKVPGOIHSA-N 440.518 0.959 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C#N)cs2)c1=O 481985217 XQXJDCQXOJVKCU-UHFFFAOYSA-N 441.582 0.920 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 482814876 XSQAONVFJKULEH-SFHVURJKSA-N 448.531 0.909 30 20 ICED C=CCSc1ccccc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498973283 BTFXIMYJNHBURZ-SJORKVTESA-N 425.576 0.679 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C1CC1 505682444 QXGCNUUNBIBTAZ-UHFFFAOYSA-N 449.330 0.668 30 20 ICED CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510344319 TZYJCBTVVATIMT-PBHICJAKSA-N 442.563 0.355 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 517983263 NHUWOHFOLQKSJE-MRXNPFEDSA-N 440.569 0.831 30 20 ICED COC(=O)C1(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 532916739 AVIVOCSWQZDGGX-UHFFFAOYSA-N 448.545 0.857 30 20 ICED N#C[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 542504738 VLUVFWRKEIGFMB-TZMCWYRMSA-N 448.423 0.369 30 20 ICED CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccon3)c2=O)c2ccccc21 547434409 JGUJJRJEZNIARZ-UHFFFAOYSA-N 434.481 0.565 30 20 ICED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 551879792 KCHTZXKFHMRBEK-QFIPXVFZSA-N 443.573 0.789 30 20 ICED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 554647820 LPASVOZOWHQZTF-IBGZPJMESA-N 447.499 0.745 30 20 ICED CN1CCN(CC2(C)CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 555085988 ISIPTKBZMZLAOO-UHFFFAOYSA-N 433.578 0.713 30 20 ICED N#Cc1c(NC(=O)CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)sc2c1CCCCC2 555873942 OIGIKMJLKYCTBB-GFCCVEGCSA-N 439.519 0.426 30 20 ICED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1cc(OC)c(OC)cc1OC 556410291 PWCLEXGLJHOTND-UHFFFAOYSA-N 426.451 0.286 30 20 ICED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 557705119 KYBFZUZCNNCDCJ-BXWFABGCSA-N 427.505 0.395 30 20 ICED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 564454643 JSURCTCDFFJPEV-UHFFFAOYSA-N 432.424 0.896 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 569524425 MSAPKARUGVCKJX-UYAOXDASSA-N 439.516 0.351 30 20 ICED CNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)c1 572187063 DUMDAAFQOYDXNH-UHFFFAOYSA-N 427.465 0.327 30 20 ICED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1cccc(C#N)c1 587665025 MESIGVZPBLFKAA-QGZVFWFLSA-N 449.515 0.711 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 588793563 FYNWUUYKNFJBHA-UHFFFAOYSA-N 437.884 0.353 30 20 ICED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 608553259 PASANRHCCHNZRL-GUYCJALGSA-N 439.476 0.976 30 20 ICED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609127094 XKMSYSFAXCWJHV-IBGZPJMESA-N 425.489 0.862 30 20 ICED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccccc1Br 610428957 BLJTWXYNXHXBRZ-LLVKDONJSA-N 441.263 0.800 30 20 ICED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)c1 615635951 ODYVVGCKAWICJC-LJQANCHMSA-N 440.497 0.474 30 20 ICED N#CC(C#N)=c1sc(=Cc2ccccc2I)c(=O)n1CC(N)=O 727162778 WBDKYEVWVVIQKK-UHFFFAOYSA-N 436.234 0.026 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 728531316 HFEHPFZFPFHSEZ-QGZVFWFLSA-N 448.470 0.786 30 20 ICED COC[C@@H](C)NC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816864 RPDOHMWIKMMLSJ-LLVKDONJSA-N 436.581 0.635 30 20 ICED CCS(=O)(=O)N(C)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731348557 SZPMJZQPVQVGOU-UHFFFAOYSA-N 442.563 0.388 30 20 ICED NS(=O)(=O)CC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732071488 HQLYCPRBHOHZMZ-UHFFFAOYSA-N 428.536 0.032 30 20 ICED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1=O 732186621 VCSLWVNHLCIMRB-QGZVFWFLSA-N 445.907 0.892 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccccc3)c2=O)cn1 732560943 DAKGHFWVEACGLD-UHFFFAOYSA-N 437.525 0.771 30 20 ICED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCCNc3ccc(C#N)cn3)cn2)CC1 732701303 PCTGHSHNBFSXQC-UHFFFAOYSA-N 444.521 0.663 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 733150610 PZEAUJQKGGRYLI-HXUWFJFHSA-N 428.533 0.936 30 20 ICED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cn2)c1=O 733788507 QOWOFHLBHSIAEE-UHFFFAOYSA-N 449.330 0.495 30 20 ICED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735116655 RNQXRCHRCJCMCY-HNENSFHCSA-N 434.474 0.200 30 20 ICED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cncn2)c1 737288787 CSDXZDYIFVFUJI-ULJHMMPZSA-N 447.521 0.626 30 20 ICED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ccc1F 742912444 OGLGEWNEUWCINF-WBMJQRKESA-N 435.481 0.947 30 20 ICED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)cn1 743726951 ZHLSHCUQHGKRHV-UHFFFAOYSA-N 449.602 0.533 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 743906155 FIGAVPHELWKWQT-UHFFFAOYSA-N 429.495 0.271 30 20 ICED NS(=O)(=O)Cc1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 749214935 AAYANGWLBPFYED-UHFFFAOYSA-N 436.515 0.933 30 20 ICED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 753240752 LAPCFXUZKUDYMM-UHFFFAOYSA-N 437.518 0.074 30 20 ICED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O 755627997 NUZFUDQCBWXGTG-UHFFFAOYSA-N 429.546 0.196 30 20 ICED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 760135842 ZDUHAWFGSJYAOK-HOTGVXAUSA-N 445.524 0.904 30 20 ICED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782633849 AMGAMHASJSOIQA-GHOZOMOVSA-N 435.506 0.175 30 20 ICED N#CC1(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCC1 784208363 LOFOPLWMVBYULI-CQSZACIVSA-N 447.469 0.729 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 793041055 IUTZMYLIXWIWDW-LBPRGKRZSA-N 444.263 0.945 30 20 ICED CC(=O)N[C@](C)(C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 797515326 PGNHFAJXRKCYFQ-UXHICEINSA-N 435.502 0.793 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)nc2)c1 803265538 XJOOPAQFYASQRZ-UHFFFAOYSA-N 436.467 0.436 30 20 ICED N#Cc1ncn(CCNC(=O)C(=O)Nc2cnc(Br)c(Br)c2)n1 807367048 KTZJYQQSNBWVKN-UHFFFAOYSA-N 443.059 0.825 30 20 ICED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C#N 809504213 HSKBKEXSTICBMY-UHFFFAOYSA-N 449.511 0.644 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cncn2)cc1 918256231 UZIITGDJRBNMOZ-KQWNVCNZSA-N 433.494 0.236 30 20 ICED COC(=O)CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 921135096 PBKLSYROEUXUHE-JWGURIENSA-N 438.506 0.897 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1303405209 LQIKGBCRULGKGR-GOSISDBHSA-N 436.520 0.740 30 20 ICED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)CCO1 1316540712 NGIFSMRKCLXAHJ-INIZCTEOSA-N 427.440 0.907 30 20 ICED CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503817215 PZSSTNFAMQOSCV-INIZCTEOSA-N 446.519 0.777 30 20 ICED CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1517014739 KJWXCQOYENCAOL-DYESRHJHSA-N 432.548 0.945 30 20 ICED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 1541942980 NMVQXAFDACOLEQ-ZBFHGGJFSA-N 437.570 0.370 30 20 ICED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1547630162 VTFMBYJONHDNFA-GOSISDBHSA-N 435.492 0.818 30 20 ICED C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1693755574 QVKRDIOWVYARKA-TWMKSMIVSA-N 431.541 0.846 30 20 ICED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC(=O)N1C 1708181419 PZOQLVXHGMEQNQ-OAHLLOKOSA-N 437.504 0.766 30 20 ICED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1765923577 PTYUULYCVZJMSM-DNVCBOLYSA-N 439.538 0.626 30 20 ICED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n1 1778378860 XDBXNVMWIZBFLY-JLTOFOAXSA-N 446.416 0.214 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)c(Cl)c1 1779096572 KYQVDPIBSXWWTB-TZIWHRDSSA-N 448.907 0.306 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1)C(=O)O 1780347592 QIHZKOJZTGWJBD-JBYIUTFZSA-N 428.489 0.748 30 20 ICED COc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(C)=O)C3)c(C#N)c1 1780687610 DIIJDCSNKDTPBF-NFBKMPQASA-N 442.516 0.759 30 20 ICED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781114134 HDDKZKHKKZHOEN-PMAPCBKXSA-N 449.548 0.848 30 20 ICED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171403 WNHNPIQKANMMBN-OAQYLSRUSA-N 449.529 0.374 30 20 ICED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)ccc1F 1781295476 XFRZHFHYVCYDBJ-OAQYLSRUSA-N 430.436 0.522 30 20 ICED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792742 XSUATEXMZFUNCL-FGZHOGPDSA-N 429.473 0.812 30 20 ICED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCN(c3cc(NC4CC4)ncn3)C1)CCO2 1783052716 GZERIGOKXHKYCP-SBUREZEXSA-N 438.532 0.730 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nsnc3NC)C[C@@H]21 1783528318 MQZBLLBIRAIRMP-ZXIRTSTFSA-N 434.522 0.032 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(F)c3)C[C@@H]21 1783531503 TWDKKNHLWKWAQG-GRNXDFJHSA-N 431.464 0.983 30 20 ICED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784937790 PZUTULQWBHCHHU-ZJOUEHCJSA-N 442.516 0.785 30 20 ICED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1785422845 OLVHKNKGLDCJCE-HTAPYJJXSA-N 435.521 0.866 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725350 MYHRWVYTMJIFHW-VGSWGCGISA-N 435.521 0.866 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(Cl)cn3)[C@H]2C1 1787002858 PUKSWRKYGIRVKP-XIRDDKMYSA-N 436.944 0.798 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c1 1789295565 HPTPPGRENMWTHO-FNHZYXHNSA-N 437.456 0.557 30 20 ICED C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1791984251 ANZLIGQQJZHEIT-KNTRFNDTSA-N 438.532 0.747 30 20 ICED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792485885 QCAXNVQLGIYZSE-CAKUHVIPSA-N 438.510 0.312 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)n1nc(C)ccc1=O)C2 1792566182 WURQJZCZOSBUSB-JKCHBNOWSA-N 441.532 0.783 30 20 ICED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)C(=O)c1ccccc1 1793231154 LMISQTKHIWVKEA-RMFSNUHRSA-N 435.484 0.862 30 20 ICED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CS(C)(=O)=O)c1 1793371929 HFPIQMYYOODRNY-DQEVTTJGSA-N 433.530 0.751 30 20 ICED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793818555 VEABNHZAKJERDC-IVSAIRAKSA-N 443.566 0.381 30 20 ICED CC#C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)c1ccc(O)cc1 1795391145 OBSAKDFZLZGGGS-PHTMTLDSSA-N 439.512 0.757 30 20 ICED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1797582532 ADEGTKPHOMPHCI-SHJAMOMRSA-N 444.488 0.145 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797707160 YGKLJLKGBAKAHL-LORHWOILSA-N 432.521 0.297 30 20 ICED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccccc1 1798690992 BBTWULMVAWIJNU-RMFSNUHRSA-N 435.484 0.862 30 20 ICED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Br)nc1 1799031124 FVAISCKJZQAAKU-IVWMJMPLSA-N 436.262 0.064 30 20 ICED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1800515482 KXOMCVSGFWLZNI-RMFSNUHRSA-N 428.489 0.685 30 20 ICED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)OC)[C@H]1c1cccnc1 1802482141 MCEIKTNXLJVDTE-WJBDPIGGSA-N 428.489 0.899 30 20 ICED N#CCC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1806278607 DFIVEDOPKJHINJ-FZKQIMNGSA-N 428.474 0.466 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807149654 JADVPWZBUIGSSL-MNEFBYGVSA-N 428.537 0.894 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2nc(C)no2)[C@H]1c1cccnc1 1807516606 AWFPYKBCNMVSDK-MIPIJZKVSA-N 438.488 0.880 30 20 ICED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808869084 KMFSXOLBIUCMSR-KYJSFNMBSA-N 447.492 0.431 30 20 ICED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)/C=N/O[C@H]2CCCCO2)[C@H]1c1cccnc1 1810356978 KVECQCSMXXORSF-SNCPRFEVSA-N 431.493 0.753 30 20 ICED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1813037316 VTIQYINUPWIBGY-XTQGRXLLSA-N 449.558 0.871 30 20 ICED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813045707 GWNCRPMTJVZNIX-SIKLNZKXSA-N 446.573 0.621 30 20 ICED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1 1814433700 BVXJRMCFLFXWAE-IDTUSYRASA-N 430.465 0.712 30 20 ICED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232150 NHVLLMSVGGMTCL-TZMCWYRMSA-N 429.414 0.718 30 20 ICED O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/O[C@@H]3CCCCO3)[nH]n2)=NN1 1819341777 VYVVQIFHEHWUSZ-DIFHSRHFSA-N 431.453 0.807 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)s3)C2)C1 1829766413 XLLVTLCUAIDRQQ-BBIZLLLXSA-N 434.518 0.380 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)cc1 1829898394 BNMHVNSZPZVXPX-QFIPXVFZSA-N 437.456 0.367 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829906201 WOUMKRHXDMXMMH-CVDCTZTESA-N 440.500 0.178 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831425820 DZIDLRBRMCUGFE-XXBNENTESA-N 434.533 0.733 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831428009 XDCCSWHQMVAASV-KKSFZXQISA-N 429.477 0.390 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831489665 FKTNBSVZWACGMB-UYAOXDASSA-N 440.585 0.694 30 20 ICED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CCN4C(=O)C=CC4=O)CC3)CC2)C1 1833613396 QHGVYEIRNDNADZ-UHFFFAOYSA-N 428.533 0.839 30 20 ICED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cncn4-c4ccncc4)CCO3)C2)CC1 1833652529 BSGJXAMFXRLPMN-QFIPXVFZSA-N 436.472 0.641 30 20 ICED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1834177830 YRAONAUYJGGETG-JOCHJYFZSA-N 439.472 0.441 30 20 ICED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1834251076 KQKKPHZYOXYIRH-QFIPXVFZSA-N 439.472 0.441 30 20 ICED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767730 QWNQNQHWVNKISH-KNQAVFIVSA-N 446.479 0.243 30 20 ICED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCCNC4=O)CC2)CC1 1835515913 HAGIWPWBMZBGQX-UHFFFAOYSA-N 427.509 0.115 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3Cc4ccccc4CN3)CCO2)C1 1836499016 QHVVIEQWNIYXSS-JLGINSKQSA-N 441.528 0.196 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(Br)ccc3n1)CCO2 1837038269 CCLOPMKPMUUZMX-LJQANCHMSA-N 447.289 0.800 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1837398915 KWWPPEDRQFQPTE-CQVDDXSMSA-N 430.567 0.175 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837531321 JDNKXOMPIWPOIT-XGVOGHQPSA-N 448.476 0.386 30 20 ICED CC#CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)c1ccccc1 1837611026 ANBRAXLJITZPRU-HYBUGGRVSA-N 441.528 0.776 30 20 ICED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3[nH]nc4ncccc34)CC2)CC1 1838050051 OWAQOZZXZNPQDI-UHFFFAOYSA-N 425.445 0.658 30 20 ICED COC(=O)C12CC(C(=O)N3CCC(OC4CCN(C(=O)C#CC(=O)O)CC4)CC3)(C1)C2 1838770327 ZQSWBKULWKNTCA-UHFFFAOYSA-N 432.473 0.416 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)cc(OC)c3)CCO2)C1 1838933062 PHJFSPYADVOWMZ-HXOBKFHXSA-N 446.500 0.812 30 20 ICED CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952686 FRGPOFSQHHQDJS-OAQYLSRUSA-N 445.545 0.112 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1839223822 JEIJCXVGOCBSPS-IFXJQAMLSA-N 425.461 0.728 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839228875 RJUFFUBLMOXLAN-IERDGZPVSA-N 434.493 0.587 30 20 ICED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1839421411 NZTCYWPIQJVJNZ-FQEVSTJZSA-N 430.392 0.775 30 20 ICED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489338 XTLMJHBQASPVCC-QFIPXVFZSA-N 449.471 0.850 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839581335 JVNDTJNWQXNKIA-AOMKIAJQSA-N 430.505 0.017 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839681250 IUYWYOIUJXFCMZ-VCBZYWHSSA-N 432.539 0.959 30 20 ICED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1839885751 PGKMTWAAKSIJAC-QFIPXVFZSA-N 428.489 0.349 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840361334 WCUNYJYCMOTODG-YVHKJVDXSA-N 430.505 0.009 30 20 ICED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840532340 NYCQWIBLENESAW-NFBKMPQASA-N 427.501 0.984 30 20 ICED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)no1 1844309672 LIFWHDNMMFAELO-UHFFFAOYSA-N 447.455 0.978 30 20 ICED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cn1 427712213 CERMZUGFIZEKST-KJJBCPESSA-N 430.468 0.703 30 20 ICED N#CCCn1ncc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1ccccc1 429715398 IIGKWFKZWHPWJZ-MRXNPFEDSA-N 429.502 0.887 30 20 ICED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465402113 IGQXXXXCFVLZMH-CQSZACIVSA-N 442.501 0.736 30 20 ICED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1 470437536 WDRPQNMVMMPHMD-UHFFFAOYSA-N 443.529 0.971 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3CCC[C@H](C)C3)CC2)c1C#N 480909338 BZDIQVUCQBAIIV-INIZCTEOSA-N 429.569 0.876 30 20 ICED C=CCN1C(=O)C(=O)N(Cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)no2)C1=O 482711894 HVJUYBLCJZUTDV-UHFFFAOYSA-N 437.409 0.506 30 20 ICED C=CCn1c(SCC(=O)NCCCN(C)S(C)(=O)=O)nnc1-c1cnccn1 488905995 XNIISNUVDFZFTO-UHFFFAOYSA-N 425.540 0.411 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)CC1 491171300 JVXNVSWWLUYPAK-UHFFFAOYSA-N 429.521 0.600 30 20 ICED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1 508009436 ZZYLCHXIHHMTDJ-VFNWGFHPSA-N 427.461 0.520 30 20 ICED N#C[C@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@]12C(=O)Nc1ccccc12 513667033 QKWUKVWVABDRIO-RBZFPXEDSA-N 425.470 0.618 30 20 ICED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521251251 ZFDBABMDNSNZPS-UHFFFAOYSA-N 426.454 0.794 30 20 ICED N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 523346618 HPQQWDWIHVVKMA-UHFFFAOYSA-N 444.473 0.879 30 20 ICED COc1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)ccc1S(=O)(=O)N(C)C 534548567 SEIGLJGNQVIPIX-UHFFFAOYSA-N 446.485 0.951 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 542291674 GWICCZVKKTXGAV-UHFFFAOYSA-N 440.508 0.306 30 20 ICED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 553260768 ACMLCQXMOPAWAN-UHFFFAOYSA-N 426.521 0.363 30 20 ICED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCc2nnc3ccccn23)CC1 555573980 CURGCSAKTXVRBB-UHFFFAOYSA-N 446.427 0.814 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 555665305 ZHQZJEQYJFBOMX-GOSISDBHSA-N 431.537 0.369 30 20 ICED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 557641454 YYJITQDVCQONDO-FUHWJXTLSA-N 429.521 0.497 30 20 ICED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 558429866 BZAJSTYWGNSGTH-UHFFFAOYSA-N 441.531 0.788 30 20 ICED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](Cc3ccccc3)N(C)C)CC2)c1C#N 559412253 PTKDTTNVLZSBIH-IBGZPJMESA-N 437.548 0.538 30 20 ICED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 567260236 XMJZUIGYQIYFRW-HNNXBMFYSA-N 429.502 0.977 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 573116642 AWVQMTXNGCYGAV-DZGCQCFKSA-N 440.547 0.298 30 20 ICED CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 580795736 LROZHOCIKRHISD-QZTJIDSGSA-N 447.486 0.963 30 20 ICED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 590996999 MCSSBOUTIROPOB-UHFFFAOYSA-N 438.509 0.565 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCC 604119978 UVBQQEGJXKKIQF-UHFFFAOYSA-N 431.539 0.529 30 20 ICED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 604498182 VSONODWZQWPAOL-PZJWPPBQSA-N 443.523 0.715 30 20 ICED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 728533798 BJKFZJVKTJEYFY-UHFFFAOYSA-N 442.925 0.029 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 729257670 NEBOMXIVGROHBF-FQEVSTJZSA-N 446.573 0.432 30 20 ICED COC(=O)c1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 769641285 XJXLJCFVCLEOJV-UHFFFAOYSA-N 431.426 0.805 30 20 ICED COc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769644860 JCAWWNPBYCHXOZ-UHFFFAOYSA-N 446.441 0.737 30 20 ICED COC(=O)C1=NOC2(CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)C1 771455519 PPIOKYZELBRFML-ZDUSSCGKSA-N 434.474 0.536 30 20 ICED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCOC)c2=O)cn1 772279222 QGOWQYASLBAQLF-UHFFFAOYSA-N 425.470 0.266 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@@H]1CCCO1 773794207 XJIATCSFEOPRQM-ROUUACIJSA-N 425.489 0.376 30 20 ICED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 775795139 MFRGIJCSNWBOHT-ROUUACIJSA-N 425.938 0.943 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)c1 779405026 NOFFAFUUHSPWIS-CAPFRKAQSA-N 443.551 0.512 30 20 ICED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 779549062 MLPSBXNUQIQULH-CQSZACIVSA-N 445.505 0.058 30 20 ICED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 783347563 PRSMQCXJRMEVEJ-UHFFFAOYSA-N 429.520 0.091 30 20 ICED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCn2cc(C(=O)OC)nn2)cn1 790016492 LPRXVSRHVMOFPY-CYBMUJFWSA-N 434.482 0.049 30 20 ICED COc1cc(OC)c(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1 790106976 HHWVMAAZHXXEEU-UHFFFAOYSA-N 430.465 0.597 30 20 ICED Cc1ccc(CN2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 791213355 IIZRVLCIHAVCSV-KRWDZBQOSA-N 426.498 0.951 30 20 ICED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C(C)C)c2)c1=O 794582972 WAQPKELOZZNLKF-INIZCTEOSA-N 430.530 0.832 30 20 ICED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)C2=O)cc1 808178326 HYAMLCWWBLHTBZ-FUHWJXTLSA-N 426.473 0.781 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 810774558 KAUKLNIZDXPIGX-UHFFFAOYSA-N 442.515 0.343 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 838166908 SPTYEWYHUXHBIT-CYBMUJFWSA-N 446.485 0.119 30 20 ICED COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 838243325 QYQLLZKAFOREAM-RHSMWYFYSA-N 429.546 0.488 30 20 ICED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc1 918986552 PRNHXWQTZPKNEI-UHFFFAOYSA-N 437.474 0.401 30 20 ICED N#Cc1cn(CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(=O)nc1O 1311830451 UXSQJKIZKHNZRK-KRWDZBQOSA-N 446.895 0.847 30 20 ICED CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314893403 QDLGDFCOGQZNRS-QGZVFWFLSA-N 435.506 0.625 30 20 ICED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1509957954 XCNUYPVQVPGMBT-NCOADZHNSA-N 440.570 0.900 30 20 ICED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 1557462763 ZJNJIZMCFZNRBM-RDJZCZTQSA-N 427.548 0.920 30 20 ICED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1618582712 JINGDOGALISTQR-QFIPXVFZSA-N 449.519 0.953 30 20 ICED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cc1 1630966689 SFFIYBGCYOXAJL-LJQANCHMSA-N 425.507 0.461 30 20 ICED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1696826971 QNEHVXFFTZMWBH-SFHVURJKSA-N 436.563 0.670 30 20 ICED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1697007557 QSRGPMLHNUNFRC-UHFFFAOYSA-N 441.492 0.160 30 20 ICED CCS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1710904224 YFEYCNBRBQMEEH-KRWDZBQOSA-N 434.522 0.568 30 20 ICED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1730732196 UYSFLBDHAUUIBD-UHFFFAOYSA-N 447.565 0.477 30 20 ICED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCN1S(C)(=O)=O 1731149220 NKEYDWMJKMKLCU-MAUKXSAKSA-N 446.533 0.702 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1779763122 ZVFXZQKHPKHGSQ-RHVSLNNASA-N 427.505 0.450 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)c1 1780060417 MPRHTNNYECHCAY-HSZRJFAPSA-N 444.451 0.718 30 20 ICED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)c(C#N)c1 1780394605 CSLDWIZRHAMOAE-JOCHJYFZSA-N 440.456 0.733 30 20 ICED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)N1CCN(C)CC1 1780641629 BVFCTQFQIDVJOL-DNVFCKCGSA-N 431.581 0.830 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203055 RGXSPMBLNHVJDD-KUHUBIRLSA-N 431.555 0.676 30 20 ICED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782015237 BZIHMSFPQVTSTN-PEOGOYOCSA-N 434.489 0.568 30 20 ICED O=C1CSc2ncc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1782420365 CDWSUOKWQPKKIA-OAQYLSRUSA-N 426.498 0.983 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797672 WQJUQUFTMWTFOZ-JTSKRJEESA-N 445.520 0.699 30 20 ICED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)nn1C 1784240191 BQLRZWQVOZMYKM-WDSOQIARSA-N 430.553 0.533 30 20 ICED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)n(-c2cccc(=O)n2C)n1 1787152840 HZTGTYTWOYZNKS-BQFCYCMXSA-N 438.488 0.386 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807664 JKKKVTPLSPKKTE-BZSNNMDCSA-N 440.535 0.958 30 20 ICED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1791476857 UNHANOCWEJDKLK-ZVZYQTTQSA-N 432.452 0.576 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(O)cc1O)C2 1792491115 ZXYBLQWHIJKLJZ-SHFIOQEJSA-N 449.891 0.813 30 20 ICED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793256799 PHIXLSQVPHBHNM-SFNKJDCFSA-N 434.537 0.232 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)n(-c2cccc(=O)n2C)n1 1793256891 ZKPOXVNWPLTMII-FEJSZKPUSA-N 449.511 0.496 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714423 DNKPKBNWBIJNGJ-MFCZKXCZSA-N 428.493 0.822 30 20 ICED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108348 JMVMGVUEYONQEU-KCTHJMFYSA-N 446.504 0.173 30 20 ICED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251681 UZKUWVQHNQHNIC-JONQDZQNSA-N 442.520 0.284 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794872746 CJICVYWGFGYKOQ-ZMMAXQRCSA-N 445.520 0.389 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(=O)c1ccccc1 1795055960 RLJMTVWVMXWBRL-YKAOGTQSSA-N 429.473 0.988 30 20 ICED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798518973 YOMGVERGANPOMD-JNNRSPCRSA-N 443.456 0.771 30 20 ICED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccccc2C#N)cn1 1801991240 LIPFKLXMQHFFGQ-VPTLXERWSA-N 437.456 0.639 30 20 ICED C#CCCC(=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 1802021820 YPABKHORYGQFCX-VBRUWADQSA-N 449.548 0.607 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1807143928 QUUCWIGGIQWOMF-PKOBYXMFSA-N 442.520 0.821 30 20 ICED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2c2cccnc2)c1 1811190771 MDMLXTHLTJGAHR-BEFAXECRSA-N 444.455 0.804 30 20 ICED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811533833 UVERUNYSKPTJTK-BEFAXECRSA-N 435.444 0.153 30 20 ICED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2c2cccnc2)c1 1811791206 PGJFEURDLBHVNA-BJLQDIEVSA-N 446.467 0.871 30 20 ICED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813023772 ZUCQEBWOELBJJQ-IIMDRIAPSA-N 439.468 0.931 30 20 ICED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813172816 IHGOXMDKMIXEPX-IIBYNOLFSA-N 428.514 0.932 30 20 ICED COc1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)c(C#N)c1 1814827131 VHKRTANQPQZATC-CYBMUJFWSA-N 441.517 0.661 30 20 ICED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOC1=O)CC2 1814972138 DRCVCKZRJDHFEL-LBPRGKRZSA-N 434.522 0.789 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817358996 LELZKCSIVWZVSV-DZGCQCFKSA-N 434.497 0.504 30 20 ICED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=N/N2CCCCC2)CC3)CC1 1818799848 IGZRHWWWRSNZET-CAUNFOBBSA-N 447.609 0.774 30 20 ICED CN1CCN(C2(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C#CC(=O)O)[nH]n3)CC2)CC1 1820797172 CLPUACLHAQVAPW-INIZCTEOSA-N 428.493 0.270 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)NCc2ccco2)[nH]n1 1822200793 OEPKMZFQIGCYHK-IQIBNGDESA-N 439.428 0.955 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1830639226 OCDBFVXQLOHKHT-DEOSSOPVSA-N 448.608 0.849 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1831491165 YIUWGURYQYRMJC-JXFKEZNVSA-N 433.534 0.754 30 20 ICED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831493308 QXIFVFQVXHYJFP-OXJNMPFZSA-N 436.534 0.431 30 20 ICED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1)C(C)C 1831493503 SHRUJNVJCWXUIA-ZWOKBUDYSA-N 430.567 0.985 30 20 ICED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831986765 QXHDYJVFDMDNSO-IIBYNOLFSA-N 426.510 0.766 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)C(F)(F)F 1832381567 YSDQCHHIHMWFDC-QGZVFWFLSA-N 432.399 0.170 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833121997 UBZZTHCPELZSAU-QGZVFWFLSA-N 448.564 0.594 30 20 ICED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1833648052 NCSWFRSTMRQKKK-JOCHJYFZSA-N 438.488 0.731 30 20 ICED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)cc1 1833827939 OANXDERMYNKXEC-QFIPXVFZSA-N 437.456 0.367 30 20 ICED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)on1 1834222551 IVHHZGCAKGUFNT-RTAJLIBNSA-N 436.465 0.582 30 20 ICED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)cs1 1834454443 GBILNBFLOVOARQ-HXUWFJFHSA-N 435.550 0.803 30 20 ICED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714297 BEOCAYRFLKZEJR-UHFFFAOYSA-N 449.600 0.111 30 20 ICED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1835347652 AYAFZDDEGNFAIF-GSHUGGBRSA-N 433.505 0.726 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220129 BZDYZKOYVWSRQN-HUPWQOHGSA-N 425.482 0.151 30 20 ICED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836686835 AXZNNDRKNHROKY-XUZZJYLKSA-N 443.544 0.920 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837093861 FCSUIASNABURBX-DHNIJCFSSA-N 444.536 0.371 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837396039 AOXKKGMCPNCNNU-AUSIDOKSSA-N 442.516 0.977 30 20 ICED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1837531451 NAGWERMBQSUTKK-MFBSEBAMSA-N 435.481 0.317 30 20 ICED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2)C(F)(F)F 1838480157 PDQJGHKVZGSDPF-GOSISDBHSA-N 443.378 0.999 30 20 ICED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1838568298 CNFCYPBSGWIQCU-JOCHJYFZSA-N 445.472 0.209 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)CCO3)C1 1839080756 IOJMYIWZHSRYMX-GWJPWWOOSA-N 431.533 0.810 30 20 ICED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839131986 LOLZFUSRBYFOMZ-QFIPXVFZSA-N 431.489 0.602 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1839222660 VVMHCMXVNSXKAL-HLIPFELVSA-N 425.526 0.795 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1839228887 RPMNLVWWHNHXDH-OPYAIIAOSA-N 435.525 0.777 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccnnc5)C4)C3)c2c1 1839487434 IHTNPROSJOJFAY-JOCHJYFZSA-N 447.455 0.608 30 20 ICED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CCO2 1839804168 HLUFOTAWIRDBFH-BMOUEYTDSA-N 444.484 0.815 30 20 ICED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1839811183 LLZDIWBRPWSOHR-BTYIYWSLSA-N 435.477 0.002 30 20 ICED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1839894871 VXQFJRRTSKSHQP-XJKSGUPXSA-N 440.440 0.139 30 20 ICED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840159906 QKFONLBHRQBLAC-ADLMAVQZSA-N 437.547 0.662 30 20 ICED CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840161607 VAQNBSGNNLUUTG-QVKFZJNVSA-N 435.546 0.962 30 20 ICED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1840843756 JDACUGZKKOJAQI-QFIPXVFZSA-N 429.473 0.834 30 20 ICED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc3nc(Br)nn3c1)C2 1846195352 GDECYWYLEXVRMW-UHFFFAOYSA-N 432.234 0.397 30 20 ICED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 431987337 QURQPAOXMCQTTE-UHFFFAOYSA-N 445.457 0.030 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1 433633797 NFBWEQIYQXZNJC-AWEZNQCLSA-N 443.547 0.325 30 20 ICED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 434436330 FQPMWRSSFPDGEV-XJKSGUPXSA-N 428.536 0.154 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3occc3C)c2=O)cn1 440384991 RAMYBIVZWOZLOC-UHFFFAOYSA-N 427.486 0.283 30 20 ICED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1ccc(O)cc1 460804078 HTUIFYSYJVSSAT-MRXNPFEDSA-N 448.439 0.931 30 20 ICED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1Cc1ccon1 480952942 KRVLNLFCONZEEJ-UHFFFAOYSA-N 430.511 0.582 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)n1C 487398199 PVQWVDGXFKBRPW-UHFFFAOYSA-N 449.286 0.923 30 20 ICED CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccnn2C)c1=O 488081856 DFHBLUUQVKTEMX-UHFFFAOYSA-N 425.436 0.720 30 20 ICED CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 489177957 JNQLFZXYAYKCPP-UHFFFAOYSA-N 426.542 0.190 30 20 ICED CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C 496288262 ZUICPRRXDJJGDN-IBGZPJMESA-N 440.548 0.312 30 20 ICED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 497575668 VRSKQNIPTRUEGJ-KRWDZBQOSA-N 440.460 0.063 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(NC(C)=O)c1 502057852 NEGDHPLMQJGGKL-UHFFFAOYSA-N 448.508 0.396 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 505015933 ZSPDDFBFAGRFKU-OAHLLOKOSA-N 431.460 0.664 30 20 ICED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 506221657 FPBUEMBHDXRNEO-HZPDHXFCSA-N 442.563 0.360 30 20 ICED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(C[C@@H](O)COc2ccc(CC#N)cc2)C1=O 507779145 NXEHDXRKXYAFQT-XMSQKQJNSA-N 447.455 0.935 30 20 ICED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)C1=O 522939482 XTJJFCJCBXCXHO-MRXNPFEDSA-N 442.472 0.410 30 20 ICED C=CCNC(=O)c1cccc(S(=O)(=O)N=c2cc[nH]c(C(=O)N3CCN(C)CC3)c2)c1 539465136 KXEYDFHDGWMYFB-UHFFFAOYSA-N 443.529 0.608 30 20 ICED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)nc1 551430362 YENXUIMNEADZEG-KRWDZBQOSA-N 448.439 0.623 30 20 ICED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 551543973 FLZOLVMGOXHFJE-UHFFFAOYSA-N 446.467 0.890 30 20 ICED CC(C)(C)[C@@H]1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 562288384 HJPQOBZEZUYLRU-QGZVFWFLSA-N 447.517 0.358 30 20 ICED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@H]1CCOc2ccccc21 562852439 LNSWRTFOEMHRHP-INIZCTEOSA-N 435.509 0.573 30 20 ICED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1C 570090108 CJNIYFAGFPBFOX-UHFFFAOYSA-N 433.428 1.574 30 20 ICED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 590997091 URKWUSVBFITELD-UHFFFAOYSA-N 428.470 0.809 30 20 ICED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 590997140 ZEZDJSMIXYBMLM-GFCCVEGCSA-N 428.470 0.807 30 20 ICED Cn1cc(S(=O)(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 603670441 OOFMGSCWTSINIM-UHFFFAOYSA-N 442.505 0.087 30 20 ICED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1 604119891 ONWWXPBVFRZPEB-UHFFFAOYSA-N 429.523 0.430 30 20 ICED N#Cc1cccc(CS(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 609899235 KHQURSQFGSQQST-UHFFFAOYSA-N 427.548 0.951 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 671834379 MANOYUUZKSYKCM-KRWDZBQOSA-N 447.967 0.729 30 20 ICED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC1CCOCC1 728085640 GYCPQHMEEQYDPG-INIZCTEOSA-N 437.518 0.978 30 20 ICED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 729281456 BLZBLGFXDNDNHP-HXUWFJFHSA-N 446.573 0.514 30 20 ICED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 731127440 DTRPUZVACZTQHN-UHFFFAOYSA-N 446.441 0.640 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(NC(C)=O)c3)c2=O)cn1 732562892 NJHDMAPMXJQJOJ-UHFFFAOYSA-N 436.497 0.323 30 20 ICED CCOc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732907798 DIHFHUJJQFUYFD-GJZGRUSLSA-N 433.486 0.404 30 20 ICED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732908532 NVGWHPAHPFNETC-RDJZCZTQSA-N 432.502 0.896 30 20 ICED C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)ccc2c1=O 744313741 MXVDZQOXUCAKDW-UHFFFAOYSA-N 427.530 0.908 30 20 ICED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cn(C)c(=O)nc1O 744990148 AHLJHXDXENYWEU-UHFFFAOYSA-N 439.384 0.023 30 20 ICED CN(C)CCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746415424 VWVRBWPJESBAGF-UHFFFAOYSA-N 425.493 0.634 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 755392694 KUOBXGNSGDEAHL-UHFFFAOYSA-N 441.575 0.921 30 20 ICED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C1 755552310 MZZMOGNFZURNEP-DOMZBBRYSA-N 436.490 0.904 30 20 ICED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 756758676 RHPMWUZWPKBARR-SNVBAGLBSA-N 425.854 0.794 30 20 ICED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(SC)cc2)c1=O 758056060 SZMCRAIQASDUHC-CQSZACIVSA-N 427.551 0.919 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(=O)N(C)C 758585644 SCUSRMJYRISAJT-UHFFFAOYSA-N 445.570 0.383 30 20 ICED Cc1ccc([C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N2CCOCC2)o1 758846812 QTHVOZINGYDDFR-MRXNPFEDSA-N 432.502 0.816 30 20 ICED C[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 771171511 KELJBAAQVSJERL-INIZCTEOSA-N 445.487 0.928 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(Cl)cc3F)n(CC(N)=O)c2=O)cn1 773283450 UOFYXSOYPKNROW-UHFFFAOYSA-N 445.863 0.307 30 20 ICED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782909227 UUVYGVYKFSBCCD-HZPDHXFCSA-N 438.477 0.971 30 20 ICED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 783398214 ZEXVCNDEVNILKT-UHFFFAOYSA-N 443.481 0.806 30 20 ICED COc1cc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)cc(OC)c1OC 793212670 REZQWUGJCHOIEV-GFCCVEGCSA-N 437.474 0.815 30 20 ICED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 794170206 HEQOWCBKXXLWJZ-UHFFFAOYSA-N 433.870 0.433 30 20 ICED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCc3cccnc3)c2=O)cn1 794628859 PSWXHQCWBDUFKU-SFHVURJKSA-N 449.536 0.780 30 20 ICED COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 797371457 IAYKWHWYHSAVMG-XQEBGNCTSA-N 440.522 0.342 30 20 ICED N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)OC[C@H]3C2)cc1N1CCN2C(=O)OC[C@H]2C1 804555631 MCSCMFCCYSBZMF-ZIAGYGMSSA-N 428.405 0.748 30 20 ICED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@@H](C)C1 807319147 UFCDVTLBXLNIBI-CYNURGJPSA-N 435.550 0.991 30 20 ICED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807534648 KMKHVJWPEOCPRA-KRWDZBQOSA-N 437.518 0.819 30 20 ICED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 807653331 BKPWSYZBXWWMBU-FXAWDEMLSA-N 437.500 0.802 30 20 ICED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 810778217 YSBAOSQLCJASGE-UHFFFAOYSA-N 443.503 0.773 30 20 ICED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 816129283 QRXXJQKDKGBRPU-CVEARBPZSA-N 448.457 0.713 30 20 ICED CS(=O)(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 913086450 AOBSUOUEJXRXLR-UHFFFAOYSA-N 428.536 0.046 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 916440744 QFZGLWFJIHXDTB-ZMEGLIOTSA-N 428.536 0.862 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 916808735 JKTIRGOLJVQBFW-LJQANCHMSA-N 430.417 0.969 30 20 ICED N#C[C@@H](C(=O)CCN1CCCS1(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 918492107 MFEHSNHHZLQJOE-KRWDZBQOSA-N 449.489 0.378 30 20 ICED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCN(c2ncccn2)CC1 1115908710 GOOBTPSOSBJWAP-FUHWJXTLSA-N 448.483 0.982 30 20 ICED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCO1 1301898303 DJFVQSQSPXEEOA-GHTZIAJQSA-N 426.477 0.309 30 20 ICED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCN(C(C)=O)CC2)C1=O 1318155273 AWENZHUEXCICNY-MRXNPFEDSA-N 431.518 0.864 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1344416273 POQXKCQIHVFYHO-UHFFFAOYSA-N 447.520 0.209 30 20 ICED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1360714172 NKSXWFRSXPJTLE-JYJNAYRXSA-N 439.586 0.737 30 20 ICED COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1525127646 ZKJIJANOCQSUEF-CVEARBPZSA-N 446.508 0.854 30 20 ICED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555297766 PHGBFHGYBGBLHX-GJZGRUSLSA-N 442.542 0.060 30 20 ICED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1659154917 GOHKTQARWGEWTM-SFHVURJKSA-N 428.461 0.148 30 20 ICED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1692529124 NOOXBNJUISYROQ-SFHVURJKSA-N 425.559 0.874 30 20 ICED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1761424342 VSCVLIBYFWSCNJ-KRWDZBQOSA-N 439.520 0.776 30 20 ICED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(O)c2)C1 1770351807 YDARCZRJGKLHCQ-IAGOWNOFSA-N 448.505 0.094 30 20 ICED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779070235 XDQVVIXFAOIEQH-NQIIRXRSSA-N 440.493 0.294 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779103564 WQBIAFKJJROYHM-XZYKOBSISA-N 442.476 0.702 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362816 RVQPXOVFPWSIAY-KQFRHJRUSA-N 443.430 0.739 30 20 ICED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c(C#N)c1 1781175014 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Nc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)s1 1788657597 CICNONBGJVVAJR-KIPUMGIDSA-N 437.522 0.848 30 20 ICED Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659324 XZCHNWAWOSSDLK-BBHCWFJASA-N 431.493 0.907 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)cncc3F)[C@H]2C1 1789005746 OIATWYUCLQMNRT-MOQBMDSDSA-N 434.443 0.812 30 20 ICED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1)C(=O)O 1790229930 OBYKHMAFNKIIHM-PLYYQAHHSA-N 448.907 0.868 30 20 ICED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccn3)C[C@@H]21 1791076821 JEIOMAGZAIUBGX-WHOFXGATSA-N 425.363 0.782 30 20 ICED 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 1791258285 JHVIFQPJHTUIEZ-QTVXIADOSA-N 431.555 0.170 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(F)cc13)C2 1792489049 BHEOJJKOSIHRFO-PKPDMIBBSA-N 441.463 0.764 30 20 ICED 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C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806865979 NVMJANKNDBMRRN-RIFZZMRRSA-N 435.488 1.000 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1807147457 KWMMLMOAZJUICH-MAUKXSAKSA-N 425.493 0.245 30 20 ICED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1807153641 YQFKGWNQAXIDGQ-MJGOQNOKSA-N 449.577 0.804 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)C=C)[C@@H]1c1cccnc1 1810522767 TYKDBFWDZUHLDL-BSNXPFOBSA-N 439.516 0.637 30 20 ICED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813176379 UTYHXTFSQCVXDB-QLVMHMETSA-N 426.473 0.604 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813455135 RKKIMDJIGUVDPV-ADZMOFKSSA-N 436.516 0.922 30 20 ICED CN(CC(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1814055356 QSGUVHLPFUUDQX-DOTOQJQBSA-N 427.461 0.324 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668423 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O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837443532 FOZGCGRYYNDRIV-MEHACQCNSA-N 445.520 0.627 30 20 ICED CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)co1 1837444257 UWZUFTGFKBFUPU-MHRHTVJOSA-N 433.509 0.779 30 20 ICED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1837661376 IMJKJQQTAQDIOB-FQEVSTJZSA-N 430.567 0.870 30 20 ICED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CNCP(=O)(O)O)CC3)CC2)CC1 1837790931 RTAWIVVKVWJHOT-UHFFFAOYSA-N 428.426 0.014 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1Cl)CCO2 1837827386 FSBVCKBEGHFFMI-SFHVURJKSA-N 442.255 0.546 30 20 ICED Cn1nc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c2c1CCC2 1838247031 AARZFVWRAQRUBN-UHFFFAOYSA-N 428.489 0.609 30 20 ICED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)o1 1838906513 NGXPKGHJWODDLL-JOCHJYFZSA-N 439.472 0.996 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1839172383 QNQQMRZAYOOWEF-UTKZUKDTSA-N 438.521 0.503 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379068 RLZZPHPATVZFNX-QHCPKHFHSA-N 435.484 0.751 30 20 ICED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1839485957 FLPMUDSZEULKTQ-OAQYLSRUSA-N 443.460 0.123 30 20 ICED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1840176687 QVBZQJQKYUNBGW-HSZRJFAPSA-N 439.468 0.762 30 20 ICED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260859 DWWRFXAUBDXTJV-QFIPXVFZSA-N 433.505 0.360 30 20 ICED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716318 HQQDARUHFWFQRT-YGKZAACZSA-N 442.516 0.908 30 20 ICED Cc1c(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)cn2[nH]cnc(=O)c12 1844282989 BVOZFJUSOFXCMA-UHFFFAOYSA-N 437.500 0.847 30 20 ICED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 26190994 JDDRSDFAFRLHQS-KURKYZTESA-N 441.598 0.689 30 20 ICED CCN(C[C@H](CC(C)C)NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[C@H](C)n1cnc(C#N)n1 409861560 UZLUSSBFZJGANB-JYJNAYRXSA-N 440.512 0.815 30 20 ICED CCO[C@H](C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cs1 410134581 JAIHZZHHFNIUIY-ZBFHGGJFSA-N 429.568 0.827 30 20 ICED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1Br 432867220 RMPNKUPASQTLAB-ZDUSSCGKSA-N 448.364 0.814 30 20 ICED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436598268 ZJMHHKLODXZISH-HNNXBMFYSA-N 442.497 0.915 30 20 ICED COC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]1C(=O)OC 442108504 ASYMOPQYISOZIZ-GOEBONIOSA-N 437.474 0.364 30 20 ICED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nn1 443279449 FUXZLPSIVWHULM-UHFFFAOYSA-N 426.311 0.476 30 20 ICED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCOC2)c1=O 461342599 NTKMOPHDXHIEER-ZDUSSCGKSA-N 443.500 0.876 30 20 ICED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 465414064 FOFCBSWDNPJKAW-CQSZACIVSA-N 433.472 0.916 30 20 ICED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ncccc1OCCCC#N)C2 466620470 NBWHSJSLJVBOBQ-UHFFFAOYSA-N 428.453 0.258 30 20 ICED Cc1nn(C)c(N2CCN(CC(=O)Nc3cc(-n4nnnc4C)ccc3F)CC2)c1C#N 472158789 PXPVUMDQSHVYQG-UHFFFAOYSA-N 438.471 0.784 30 20 ICED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CCc2cccnc2)c1=O 478860916 ZXGULQFKIFLKLM-QGZVFWFLSA-N 449.536 0.780 30 20 ICED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480178854 FPABVEGGLWVLNM-UHFFFAOYSA-N 441.509 0.453 30 20 ICED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccc(C#N)o3)c2=O)CC1 489029091 YDUFJSPGJWKRGK-CQSZACIVSA-N 438.509 0.750 30 20 ICED Cn1c(=O)c2cc(NC(=O)C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 504751926 ZENFVMAOGRPKGN-UHFFFAOYSA-N 444.451 0.758 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1ccccc1 505638836 OTRPXXNTUJPDEM-UHFFFAOYSA-N 433.537 1.000 30 20 ICED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(C[C@@H]2CCCO2)c1=O 505699688 JZGCIUSLMGPXOJ-CABCVRRESA-N 428.514 0.239 30 20 ICED C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508841653 SKCKYTGWKMWXSF-UHFFFAOYSA-N 445.491 0.652 30 20 ICED C=C(C)CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cnn(C(C)C)c1 512507190 VUJVPAQDXFGSFJ-UHFFFAOYSA-N 446.596 0.845 30 20 ICED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(-c2ccccc2)c1=O 512762513 SMJKADMYQKIVLP-UHFFFAOYSA-N 437.525 0.771 30 20 ICED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC)c(F)c3)c2=O)cn1 523577697 BZTMAPINPHIESG-UHFFFAOYSA-N 427.461 0.512 30 20 ICED CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 524803844 JEUJFIDTTSPEPZ-SFHVURJKSA-N 442.472 0.791 30 20 ICED COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 530467445 GMLRTHCHGFQAGF-UHFFFAOYSA-N 428.424 0.813 30 20 ICED CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 532901826 ISIPZPSLUZZFKS-HNNXBMFYSA-N 435.550 0.993 30 20 ICED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(C)(=O)=O 536197354 IRBBGFHLALNKTB-CQSZACIVSA-N 442.501 0.736 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2[C@H]2C[C@H]3CC[C@H]2C3)CC1 537070539 HWBXFFQZZHDPBX-BZSNNMDCSA-N 428.537 0.938 30 20 ICED CN(CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 544139481 DZYIXXLAMSOIFW-SFHVURJKSA-N 427.486 0.886 30 20 ICED CCCn1c(CCC(=O)NCCn2cnc(C#N)n2)nc2cc(S(N)(=O)=O)ccc21 552327266 RIQTXBBLJINKQZ-UHFFFAOYSA-N 430.494 0.306 30 20 ICED CN(CC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 552977897 AKJXKBZGZDBAMF-FQEVSTJZSA-N 434.518 0.155 30 20 ICED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 558664419 KUZHCEXIOYWUNJ-CYBMUJFWSA-N 436.498 0.704 30 20 ICED CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)c1 565752086 DWFFVUDQXOWXCP-UHFFFAOYSA-N 428.518 0.964 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 579987235 RXYPJDIQTQORON-FPOVZHCZSA-N 428.533 0.717 30 20 ICED COc1c(F)cc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 603663100 LXBCGFMQMPDKKD-UHFFFAOYSA-N 433.465 0.640 30 20 ICED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 608778772 AYTZVKSRWNVXKX-UHFFFAOYSA-N 442.516 0.571 30 20 ICED Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1S(=O)(=O)NCC#N 608869083 MFOYGHFVHSSGSR-UHFFFAOYSA-N 429.502 0.959 30 20 ICED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccn1 610664258 UWZCIIIGTNKFQC-UHFFFAOYSA-N 437.460 0.808 30 20 ICED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222677 FVSHJISDGXSTHB-UHFFFAOYSA-N 440.447 0.999 30 20 ICED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 616465981 BEFIZWFPHJHFMI-UHFFFAOYSA-N 436.412 0.226 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 671383415 AZLPJIXOTUWSHM-NRFANRHFSA-N 441.576 0.461 30 20 ICED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)CC1 728573229 LUAWNRYVYFTPIZ-OAHLLOKOSA-N 446.573 0.965 30 20 ICED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1sccc1C(N)=O 729382227 SXAAMFWTAADWMF-JTQLQIEISA-N 436.471 0.567 30 20 ICED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nc1 731606149 QRRNKJBPHBCWFW-GVDBMIGSSA-N 433.534 0.591 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(OC)cc3)c2=O)cn1 732562468 BJFVJLIYZHTRBF-UHFFFAOYSA-N 435.509 0.906 30 20 ICED CN1CCC[C@H](N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 734454091 SWMYQXJJJYCKSG-KRWDZBQOSA-N 433.578 0.744 30 20 ICED N#Cc1ccc(NCCNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 738460871 RCTCFBVNUJUZRE-UHFFFAOYSA-N 437.508 0.524 30 20 ICED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@H]3CCOc4ccccc43)c2=O)cn1 742144482 NWSPVNSAYJUQGJ-KRWDZBQOSA-N 435.509 0.747 30 20 ICED CCc1nc(CN2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 742650806 WQEDRXWDCJNDLU-AWEZNQCLSA-N 446.533 0.794 30 20 ICED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 749380367 USFYGBKIPYMKBO-OAQYLSRUSA-N 431.468 0.667 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2COC(C)(C)OC2)cc1 755512584 NXIYXRXPKIXFGP-CJLVFECKSA-N 438.506 0.706 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 755536380 JINWKGCLSJXXNW-AAEUAGOBSA-N 437.478 0.299 30 20 ICED C[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 756451695 KKWMTUFVCDPVSE-SNVBAGLBSA-N 437.503 0.691 30 20 ICED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cc1 782250653 ZSHDZZPPJPGGAU-UHFFFAOYSA-N 438.509 0.755 30 20 ICED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 783481585 QCBLDNNCENPMBI-CYBMUJFWSA-N 438.458 0.078 30 20 ICED COC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788340017 RJNALHVIJNHEDV-UHFFFAOYSA-N 439.476 0.744 30 20 ICED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1)c1cc[nH]n1 789966258 GWAGQQICPOQWMQ-UHFFFAOYSA-N 441.488 0.915 30 20 ICED Cc1cc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 791047951 ITJZHDWELISUNO-GOSISDBHSA-N 443.533 0.579 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cc1 792374011 QTGBQHVPIHERSA-JEHRSMSHSA-N 436.412 0.477 30 20 ICED COc1cc2ncn(CCCC(=O)NS(=O)(=O)CC3(C#N)CC3)c(=O)c2cc1OC 793203744 GFJBDVSIZUKNCV-UHFFFAOYSA-N 434.474 0.944 30 20 ICED CCS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CC1 802528813 KVDYLOGOJLLZLY-UHFFFAOYSA-N 434.522 0.847 30 20 ICED CC(C)[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)C 803494566 HRIOLIMYUFBKKO-LJQANCHMSA-N 436.534 0.521 30 20 ICED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 808028994 OQJBXWPOGWOXLU-WBVHZDCISA-N 428.493 0.585 30 20 ICED N#Cc1ccc(CS(=O)(=O)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 916777579 LSGVSZMHYWMZHR-UHFFFAOYSA-N 430.398 0.838 30 20 ICED CC(=O)NCCc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 917228919 JGIJKHKWYFOVQA-UHFFFAOYSA-N 443.481 0.941 30 20 ICED CN(C)S(=O)(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1261112148 OFBIAZHPEXHRON-JSGCOSHPSA-N 432.424 0.850 30 20 ICED CN1CCN(CC2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1261245535 FYRNUMZAOXNRRR-UHFFFAOYSA-N 447.605 0.991 30 20 ICED C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1319706419 LFQXCHRAMBOKHR-XJKSGUPXSA-N 442.515 0.050 30 20 ICED N#CCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 1322794149 PKBFHTQCYXFGQD-UHFFFAOYSA-N 428.470 0.639 30 20 ICED CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1465544452 XFUFSVHBPXVIJN-GFCCVEGCSA-N 429.399 0.860 30 20 ICED CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1503738769 MFWJOOQPBCFVMP-KRWDZBQOSA-N 425.493 0.747 30 20 ICED N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)c1 1505319834 MEWJBFDHAYFXNE-HNNXBMFYSA-N 446.462 0.757 30 20 ICED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1555559267 QRWVTNOUJVHAAR-INIZCTEOSA-N 438.554 0.734 30 20 ICED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618780974 VSIPXUVXPPEKTB-UHFFFAOYSA-N 425.497 0.146 30 20 ICED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1OC 1712682457 JVYLZFOZPOQCEQ-HDICACEKSA-N 440.504 0.949 30 20 ICED CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1 1729594496 JNORBEBRQXNVDE-SUMWQHHRSA-N 436.314 0.831 30 20 ICED C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740814603 WMNRXRYTAZUDCX-UHFFFAOYSA-N 445.955 0.997 30 20 ICED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134933 RODOYJOCCHZAAX-HOGCTVLVSA-N 425.445 0.336 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779267557 FZNQWBTUMTYAKA-VGSWGCGISA-N 431.489 0.749 30 20 ICED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793939 XMWKORSRCCFQCZ-OPAMFIHVSA-N 427.505 0.904 30 20 ICED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1782191615 ALFADHWQQAMRRG-TXTKFYIRSA-N 443.548 0.774 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782270970 WIWMQVUNRMMPET-GSHUGGBRSA-N 433.553 0.308 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757218 XPXUYJCLGMUGCC-IOFJYKPDSA-N 436.509 0.358 30 20 ICED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c1 1784281231 GKFGUQGMPKSKMS-SNRMKQJTSA-N 442.472 0.612 30 20 ICED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21 1784484567 DSDGJUBOLBNOBK-PXMVHEFSSA-N 441.484 0.739 30 20 ICED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1784505070 BGTMAUIMUGNDQT-MUGJNUQGSA-N 434.581 0.337 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784925670 TWCGZSGWHVJIKH-RHVSLNNASA-N 426.473 0.087 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 1785036061 HLJSUYVACJVLEK-OZMCLOMFSA-N 428.485 0.844 30 20 ICED Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)c2ccccc21 1785365001 OHMOKBUBJJKUBG-QHCPKHFHSA-N 437.500 0.864 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(c4ccccn4)CC3)[C@H]2C1 1789722086 RFZABUUYPMGKAB-FHWLQOOXSA-N 440.500 0.366 30 20 ICED CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079319 JEHOZQPNLQPPEO-JYJNAYRXSA-N 437.493 0.359 30 20 ICED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792133181 QXGAXQQDFVNREZ-KKUMJFAQSA-N 440.447 0.448 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)c1ccc(O)cc1)C2 1792489632 AUAYIOXGTZMFQQ-FQERERFUSA-N 427.501 0.944 30 20 ICED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1792491251 DDCYKKWWJUKIGP-OSQPQIOTSA-N 431.464 0.380 30 20 ICED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792829955 XVHSMSBVOCNGTN-OPMZPASUSA-N 445.541 0.987 30 20 ICED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793352884 PGLMGDDYGBIYBB-YVSFHVDLSA-N 448.520 0.993 30 20 ICED Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)c1=O 1793549776 XHQIGOPMCKPSHS-UPHUGPLXSA-N 438.459 0.842 30 20 ICED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)c(O)n1 1794489911 LZBYRGQFGZWSKX-IVWMJMPLSA-N 427.461 0.852 30 20 ICED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ncc(Cl)cn1 1794540662 XWSDSRXBMQYQGR-IEJSNKPOSA-N 437.884 0.862 30 20 ICED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cc(O)n1 1797811768 VHEXIJBRAOMVAL-TTYZWARGSA-N 432.477 0.828 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799884829 ZIFCYSCTQJZHIP-CSHUHZATSA-N 436.472 0.259 30 20 ICED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1806861803 AVSJCUBQZWDHQB-FXAWDEMLSA-N 433.534 0.817 30 20 ICED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807111651 CYFRJZVZSOBHIA-HKUYNNGSSA-N 440.552 0.209 30 20 ICED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]1c1cccnc1 1810236002 PHXNEWOCFJPBRK-PSBWJHGTSA-N 429.521 0.833 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C)CC1)CC2 1819710879 FMKOQWILEALJIS-PBHICJAKSA-N 435.594 0.876 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821656443 ONVGMSIJZTXHMZ-MRXNPFEDSA-N 440.508 0.941 30 20 ICED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCNC3=O)CC1 1824486836 AFKRHTJBSVQOCW-APWZRJJASA-N 441.532 0.898 30 20 ICED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1830679367 OJVTWTGLWBBTMH-HLBDPABLSA-N 447.557 0.634 30 20 ICED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C[C@@H]2C[C@@H]21 1830747629 JEWKAFCLYKXNNA-ACTFIFLWSA-N 448.520 0.754 30 20 ICED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(C)(C)C 1831082699 IUCICQGLLVENOE-FVJLSDCUSA-N 443.610 0.948 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c4n[nH]cc4c3)C2)C1 1831398465 CMEJJBPZFKOPHL-HXOBKFHXSA-N 440.500 0.980 30 20 ICED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1831399157 QFQMSQARPLNFFZ-QVKFZJNVSA-N 449.435 0.842 30 20 ICED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1831418910 ICHPHOZPCVTYCQ-HRAATJIYSA-N 425.526 0.196 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831426793 PBLGXEOBRFGYMZ-VFNWGFHPSA-N 429.477 0.619 30 20 ICED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831484715 BXQDTKRFIVRLIO-APWZRJJASA-N 426.539 0.005 30 20 ICED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)nc2s1 1832100955 IERQOKNPNAPOEU-OAQYLSRUSA-N 443.529 0.512 30 20 ICED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cc1O 1833406694 AANZRPWBIBDRET-OAQYLSRUSA-N 425.445 0.381 30 20 ICED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1833475685 XBACSOFONDSLFR-KXBFYZLASA-N 440.541 0.214 30 20 ICED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339807 TXXYBYFJVNDFQB-XMSQKQJNSA-N 429.473 0.489 30 20 ICED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)nc5n[nH]cc45)C3)C2)CC1 1835342189 MTRVEXLNXYNXHZ-FQEVSTJZSA-N 444.879 0.985 30 20 ICED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C1(O)CCC1 1835667291 ARTYMQJLBXNASE-UWJYYQICSA-N 436.553 0.276 30 20 ICED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1835672940 OEKVMZJHFXASSL-NRFANRHFSA-N 433.484 0.573 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835817554 GKJAQXMFJQQTBC-XQFWAAQXSA-N 446.548 0.986 30 20 ICED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1836862713 VGQIHSQSMOLDPK-QGZVFWFLSA-N 430.505 0.280 30 20 ICED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1836989329 OAOFQDZHBQMOPE-QFIPXVFZSA-N 442.472 0.637 30 20 ICED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nc1 1837441075 QDHQOLKVSYHGAB-YQNSVDCASA-N 429.521 0.932 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837446848 IICNTBUWKNNDPN-PXJFTPKESA-N 435.569 0.400 30 20 ICED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n1 1837489897 XSDQNXNTPMBYIK-QHCPKHFHSA-N 444.532 0.118 30 20 ICED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1837527200 YPRDAENGHOKOBK-SUFNNGABSA-N 439.494 0.137 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838368124 PKZVRCGAJHFMRN-QGZVFWFLSA-N 448.568 0.891 30 20 ICED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1Cl 1838597860 AIFCMYJARJRVMZ-BTYIYWSLSA-N 446.891 0.418 30 20 ICED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)c1 1838741763 AALJLBAHNCZHLS-OAQYLSRUSA-N 425.445 0.300 30 20 ICED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1839055090 WCSGQJVMYZTESW-MJGOQNOKSA-N 437.290 0.572 30 20 ICED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222584 SHCMTJGUMSBDLC-SCLBCKFNSA-N 440.526 0.451 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839224907 RPLDXIHIFJTTMX-KKSFZXQISA-N 444.492 0.600 30 20 ICED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2nccn2)CCO3)cc1 1839235505 YGWVUFYIMSJNMQ-JOCHJYFZSA-N 438.488 0.239 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)C1 1840041558 ULSQEUAOYPFKHV-SFHVURJKSA-N 441.362 0.258 30 20 ICED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)C1 1840171912 HGWJAKUEKSOIAB-HSZRJFAPSA-N 441.484 0.705 30 20 ICED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840195098 OPPLKFWGCAIQIE-KNQAVFIVSA-N 447.557 0.671 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1O)CCO2 1840666459 AGVLDAKCQWRLTI-FUMRIQNTSA-N 443.500 0.629 30 20 ICED C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CS2 25624013 XQCXZIHLAYNHLH-KXBFYZLASA-N 434.543 0.845 30 20 ICED CS(=O)(=O)N(c1ccc(OCC/N=C(/N)N2CCCCCC2)cc1)S(C)(=O)=O 305774006 YOGDEEWENKJPSK-UHFFFAOYSA-N 432.568 0.982 30 20 ICED CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 437394663 IWOIXDWCGIKNQG-AWEZNQCLSA-N 438.506 0.663 30 20 ICED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445196983 NYUKLZOIVPAQRZ-ZBFHGGJFSA-N 431.836 0.861 30 20 ICED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 465407652 QUYXROAIMNFBOQ-ZDUSSCGKSA-N 428.474 0.428 30 20 ICED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1C#N 472207997 SOTSMOHUUHXDPN-UHFFFAOYSA-N 428.474 0.337 30 20 ICED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 489019831 VFBUVLWZOGIWBS-CJNGLKHVSA-N 425.466 0.662 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 491088756 YGLCNPLSCVCWKR-GDLZYMKVSA-N 440.953 0.603 30 20 ICED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nn1CCC#N 504027134 URHHNKRWFJKMSI-AEFFLSMTSA-N 443.552 0.883 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 505685392 ZYKFCJPRANZWMM-UHFFFAOYSA-N 449.627 0.393 30 20 ICED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1C 511162019 TWOXFAKVVVLOEQ-UHFFFAOYSA-N 434.497 0.757 30 20 ICED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1=O 516678431 PUHCDWZRQWSCDH-PXNSSMCTSA-N 444.532 0.640 30 20 ICED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 523476402 MTDWDCKVPMZAMI-GDBMZVCRSA-N 445.541 0.928 30 20 ICED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC(N)=O)c1C 525266057 GWBBVASHFRKTHT-UHFFFAOYSA-N 432.461 0.863 30 20 ICED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C[C@H]1CCCO1 537395906 KTMQKYNRBISXKY-MRXNPFEDSA-N 440.525 0.606 30 20 ICED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 539452556 CNXIXIBWQCZZGI-OALUTQOASA-N 437.541 0.548 30 20 ICED CN(CC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 547419766 CNRFXKQYATUDND-MRXNPFEDSA-N 444.517 0.058 30 20 ICED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2OC2CCCC2)CC1 550548780 QEANWEJKBUJXCZ-UHFFFAOYSA-N 429.521 0.466 30 20 ICED CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC(=O)NCC#N)cc1 553761912 RHORMJHJCQOTBD-MRXNPFEDSA-N 436.534 0.273 30 20 ICED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 558526350 KFNWFQPHETWAOE-UHFFFAOYSA-N 432.444 0.290 30 20 ICED C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 561368527 QXUPXWVLNLRECU-OALUTQOASA-N 427.549 0.818 30 20 ICED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 565317710 CRVFRLGDNJDHDL-UHFFFAOYSA-N 430.486 0.961 30 20 ICED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 566037457 BJSIAUUIPJGUSX-UHFFFAOYSA-N 435.488 0.781 30 20 ICED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 570869783 FDFAUBAOOZOPDJ-UHFFFAOYSA-N 429.296 0.753 30 20 ICED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c2)CC1 581086817 WFIPRLIMGVXBQG-UHFFFAOYSA-N 435.550 0.959 30 20 ICED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 587687454 AYONEKINZCNGQB-CRAIPNDOSA-N 436.534 0.634 30 20 ICED CNS(=O)(=O)c1ccccc1N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588958718 JQDJFIFBTOVAIV-UHFFFAOYSA-N 449.558 0.457 30 20 ICED CCOc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 608911484 FUTUAWXQYGQYAQ-UHFFFAOYSA-N 448.504 0.936 30 20 ICED COCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 609155928 WXKFMCCFLOBHLG-HNNXBMFYSA-N 429.520 0.154 30 20 ICED COCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 609155938 WXKFMCCFLOBHLG-OAHLLOKOSA-N 429.520 0.154 30 20 ICED C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)CC1 679793837 FOWVNXFFPMXIHZ-XLIONFOSSA-N 437.562 0.976 30 20 ICED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)C1=O 725879152 XZDLFJUEDVJBDJ-SFHVURJKSA-N 442.542 0.709 30 20 ICED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 729008406 BOUUGKMQHHYTEO-UHFFFAOYSA-N 427.482 0.894 30 20 ICED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 735923384 SFJFDZNPOGDWCM-UHFFFAOYSA-N 444.351 0.904 30 20 ICED C=C(Cl)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 737223768 MWXKRDGIKFGBLC-UHFFFAOYSA-N 431.898 0.913 30 20 ICED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)N1CCNC1=O 744594635 SXTVZWISOFGXQB-YEJXKQKISA-N 426.429 0.635 30 20 ICED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 747993888 SXRFICLISRDXQZ-UHFFFAOYSA-N 432.502 0.054 30 20 ICED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 749874465 QWMNHFVEQKNUEW-JOCHJYFZSA-N 439.472 0.188 30 20 ICED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 751832120 QDNNENHUARNHCA-UHFFFAOYSA-N 447.586 0.412 30 20 ICED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc1 757228605 FVZYNOGPFABWGI-WKRZDEFASA-N 448.505 0.021 30 20 ICED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 757588701 BTNKDUOZUMBOEN-IAOVAPTHSA-N 426.477 0.982 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 758061197 YDFAQMOLZTZBJF-UHFFFAOYSA-N 448.298 0.269 30 20 ICED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCCC)c2)c1=O 758070617 VTOALEPATWCELO-UHFFFAOYSA-N 425.510 0.597 30 20 ICED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758077977 WEYIINOHDRCGPR-UHFFFAOYSA-N 426.542 0.635 30 20 ICED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774580501 DMCAQLCWNFWQPD-XMIRKXRQSA-N 447.561 0.696 30 20 ICED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 784925147 RPQGTUCDQYPQQD-IAGOWNOFSA-N 431.514 0.908 30 20 ICED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1 787920268 XHRQXPGMTOGIBJ-PYCFMQQDSA-N 433.534 0.745 30 20 ICED CC(C)(C#N)c1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 793106021 UKBQWNOYDGWBIX-QGZVFWFLSA-N 439.559 0.762 30 20 ICED CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798748214 STRBGFZZSBUZTR-ZDUSSCGKSA-N 434.478 0.923 30 20 ICED NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c1 807950486 TWWNVSCRFMUITL-AWEZNQCLSA-N 432.458 0.122 30 20 ICED C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C)CC1 809868015 XZSPBBHZQGRJSM-UHFFFAOYSA-N 430.534 0.698 30 20 ICED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 811732479 SAZYLYBZWFCMCT-HXUWFJFHSA-N 430.465 0.767 30 20 ICED C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 818588768 GGFDKZHZOFOIRW-UHFFFAOYSA-N 439.534 0.410 30 20 ICED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 914565186 YAXUGMUDERQYDJ-UHFFFAOYSA-N 425.518 0.159 30 20 ICED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)c1 915300080 WQNUMFQHBZNEMG-UHFFFAOYSA-N 427.548 0.532 30 20 ICED C#Cc1cccc(NC(=O)CN(C)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 917065234 LAIUEKOZEUQNPM-VQTJNVASSA-N 447.557 0.733 30 20 ICED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn(C)c2)c1=O 918729837 KKQKXGJCMVMHAJ-UHFFFAOYSA-N 439.472 0.257 30 20 ICED C[C@](C#N)(NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1 921103174 GVPQHIUXSSBPII-QGZVFWFLSA-N 426.520 0.717 30 20 ICED C[C@@H](NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)N1CCS(=O)(=O)CC1 1136613098 ISSCUHJJLAFHQE-OAHLLOKOSA-N 441.513 0.941 30 20 ICED COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1301031427 WQXXJTWRABJCPK-MOPGFXCFSA-N 428.541 0.978 30 20 ICED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)[C@@H](C)C1 1508258191 FWQWQPWTPHMRNP-HNNXBMFYSA-N 435.492 0.963 30 20 ICED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1508375769 LPWDMDSJBJLQRB-VQPPSCEASA-N 440.504 0.698 30 20 ICED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1517744091 YXFQAQVUWRLDHT-DYVFJYSZSA-N 430.506 0.478 30 20 ICED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1519166998 ZZPSSOCTXVLDKN-MAUKXSAKSA-N 427.527 0.352 30 20 ICED CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546550258 QWSBDYVBMDIQDD-PXNSSMCTSA-N 431.518 0.840 30 20 ICED N#Cc1cn(CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)c(=O)nc1O 1596195824 MRLKCFZSMOUINK-CQSZACIVSA-N 432.234 0.283 30 20 ICED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1611767398 MAANXAAJHPDCOD-RLFYNMQTSA-N 441.579 0.745 30 20 ICED COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1619471668 KBSFVEDLVWJAIG-YOEHRIQHSA-N 449.537 0.801 30 20 ICED Cc1cc(O)nc(N2CC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1645360226 OWHRTLOPHLUAJU-ZDUSSCGKSA-N 430.490 0.314 30 20 ICED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCOC1=O 1723617361 MQTOINQQJRBQCG-MRXNPFEDSA-N 430.513 0.435 30 20 ICED CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)CCOC1 1746685756 PQMLTEFDXOQUSI-GOSISDBHSA-N 426.543 0.609 30 20 ICED CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1767840751 MJKWXDXYSJRSPE-DNVCBOLYSA-N 447.496 0.628 30 20 ICED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1769060292 NVIYQPJYCPDVRW-QFIPXVFZSA-N 439.520 0.178 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778623072 FJAHRWTYNVEBFO-XQQSMPNESA-N 429.502 0.698 30 20 ICED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780329878 GWPPZEFOYCBTLI-HRAATJIYSA-N 447.492 0.215 30 20 ICED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781736842 GBRRUNFEUWNFSL-JOCHJYFZSA-N 427.457 0.055 30 20 ICED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1782181198 YYBWFLNQCBYUBZ-URKNILKWSA-N 441.575 0.931 30 20 ICED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC[C@@H]1CNc3ccccc3C1)CCO2 1783562096 BQMJMLBPBJXCFZ-SBUREZEXSA-N 425.485 0.969 30 20 ICED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)c1 1783912464 PVKKJNMYGNBAEP-HAGHYFMRSA-N 441.532 0.063 30 20 ICED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1783921961 PBRSXJIATFMYLH-NBMJBFSESA-N 429.904 0.807 30 20 ICED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c(C#N)c1 1783959729 YGSFDMVJRGAUJN-OAQYLSRUSA-N 447.513 0.757 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937002 BVNAIYULEJTMHF-VGWMRTNUSA-N 428.493 0.291 30 20 ICED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788576130 XVZMROORIPDNLI-LEUOFYLZSA-N 432.521 0.832 30 20 ICED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C(=O)OCc4ccccc4)C3)[C@H]2C1 1790783894 QJTLIOAZDDQRTG-IHPCNDPISA-N 425.485 0.868 30 20 ICED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1793343452 XTLWCCWZHCCBNF-NRSFXHEJSA-N 435.521 0.481 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1793348071 YYZKQSYXFHLAIP-NTNQKNOYSA-N 433.436 0.904 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(C)c1 1794073090 KVLBODIDTWURDP-OUBXJXCTSA-N 426.517 0.771 30 20 ICED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)c1ccccc1 1797876249 GQBPSGNAEHAGCB-BFUACXKISA-N 441.528 0.836 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc[n+]([O-])c2)C3)c(C#N)c1 1799238418 IHRKHKGPDBAETQ-HATOLVCRSA-N 436.468 0.646 30 20 ICED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)c(C#N)c1 1799238646 PJZGBRVNSYDPEM-CWPLJXCYSA-N 437.456 0.508 30 20 ICED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1799374404 CQQAGWOIOOUNFY-CSHUHZATSA-N 436.472 0.259 30 20 ICED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1800167483 MHMGHDINTYOWRN-IECFSIQFSA-N 437.537 0.939 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1800220649 ZMQBOWSDLBZJQY-NXOAAHMSSA-N 428.555 0.851 30 20 ICED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779029 MGEHUIHOCJXYOB-JEBXBWPUSA-N 447.488 0.064 30 20 ICED 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)OC)C1 1800963786 YSFZHSGFNWTJAN-USEFFRPZSA-N 447.532 0.414 30 20 ICED CN(CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(=O)c1ccccc1 1803416047 PBLKYAKCPORGQS-XXBNENTESA-N 448.479 0.948 30 20 ICED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc3c2NC(=O)C3)[C@H]1c1cccnc1 1812211258 QYDVEDYMPCPNIO-OPAMFIHVSA-N 432.436 0.984 30 20 ICED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819555181 QGOUJEBUSYYXRB-NSHDSACASA-N 445.553 0.670 30 20 ICED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nn[nH]c2C(F)(F)F)[nH]n1 1822202569 WDQLDSLYZBJABY-VIFPVBQESA-N 425.327 0.941 30 20 ICED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CCOCCOCCOCCOC)sc2C1 1823066651 JWRBSJGHDBMODM-HNNXBMFYSA-N 439.534 0.775 30 20 ICED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827586709 QUYGLXBKJWYSRT-JTGQJZMRSA-N 443.504 0.980 30 20 ICED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1829904782 WNGALBYNGMKSSE-QFIPXVFZSA-N 437.456 0.367 30 20 ICED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458721 XIUUSSJSKLDWEY-QFIPXVFZSA-N 438.488 0.390 30 20 ICED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830641983 JIWIWYOVOFUAJJ-NRFANRHFSA-N 432.525 0.544 30 20 ICED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1831397749 XAGVLPMZDYDPCD-KSFYIVLOSA-N 432.473 0.509 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1831425853 FTXUAOCDDKEYJV-NJNPRVFISA-N 433.505 0.457 30 20 ICED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1831433626 KNTKGKVSTVTDDY-QINHECLXSA-N 428.482 0.596 30 20 ICED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1832457075 GYUVQMKRZDFHJA-HXUWFJFHSA-N 431.518 0.719 30 20 ICED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)C1 1832722464 UHCHYAPXJSHOAT-QFIPXVFZSA-N 428.489 0.234 30 20 ICED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n[nH]1 1833824421 NKJGKTVHDSJQKU-QFIPXVFZSA-N 437.456 0.868 30 20 ICED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834192328 FEYZBSIKRLSKEC-XWRADEMYSA-N 431.493 0.329 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1 1835067760 JIZKZTGVWRGRSY-FQEVSTJZSA-N 428.537 0.038 30 20 ICED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1835100565 ZVWWPSOTAXPIIH-XBZNOJLSSA-N 437.540 0.835 30 20 ICED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1835360156 VONCAGZUUYTREE-OAQYLSRUSA-N 444.444 0.903 30 20 ICED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672733 KFGRLEZOJDDZAA-PGRDOPGGSA-N 446.552 0.257 30 20 ICED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1837398917 KWWPPEDRQFQPTE-UIFIDQECSA-N 430.567 0.175 30 20 ICED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837493391 CSLGWPWQYGIPCY-HSZRJFAPSA-N 434.533 0.447 30 20 ICED Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837524617 CPDIWAGYWLKMGX-PBPYGMEZSA-N 446.504 0.989 30 20 ICED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2)C(F)(F)F 1837632319 NNQKAFQIVSQMEX-SFHVURJKSA-N 442.394 0.595 30 20 ICED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817400 CLMOIXZIDNZALH-ZYNADVRWSA-N 428.445 0.569 30 20 ICED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838025962 CPRXYLKUILKNTJ-QHCPKHFHSA-N 435.484 0.955 30 20 ICED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=COCC4)C3)C2)c1 1838584105 QGEWVWZPESSYTA-JOCHJYFZSA-N 427.457 0.941 30 20 ICED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1838951805 JFIRPHRLDFXNCU-NRFANRHFSA-N 426.429 0.422 30 20 ICED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1839174743 UWKXEAZXQJHUSG-QFIPXVFZSA-N 431.489 0.590 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1839225908 YNVUUFCTYGSBKP-OXQOHEQNSA-N 436.513 0.730 30 20 ICED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1839228560 HVGPHLPSPRTFRU-RXVVDRJESA-N 435.525 0.921 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3sccc3c1O)CCO2 1839568396 XAYYQHZZPZXPKA-NRFANRHFSA-N 444.465 0.765 30 20 ICED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839644636 KTNHCRYMIYIDBA-MBSDFSHPSA-N 444.532 0.734 30 20 ICED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839684202 BDMLFXALOXNIQP-VLIAUNLRSA-N 434.449 0.518 30 20 ICED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1839993472 IWQISQRMRRROHD-AUSIDOKSSA-N 426.469 0.336 30 20 ICED Cc1cccc2c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]c12 1840044782 XJYIFXYARZEHFO-NRFANRHFSA-N 426.429 0.029 30 20 ICED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106792 YYUVNCCDIRYIQF-DYESRHJHSA-N 438.525 0.256 30 20 ICED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840181029 NDXVTIHIOIOSIO-VXKWHMMOSA-N 445.472 0.244 30 20 ICED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840293810 WQROPMRBULFQIH-JOCHJYFZSA-N 425.489 0.993 30 20 ICED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609637 FBPXKFNTWXQYPP-LANGDILFSA-N 441.484 0.286 30 20 ICED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccc3F)CCO2)C1 1840684668 XSSJKGWXKJPJEX-ZHRRBRCNSA-N 434.464 0.943 30 20 ICED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840900939 UREMVYHAMAIWGD-GAJHUEQPSA-N 442.516 0.811 30 20 ICED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4nccnc4C(N)=O)C3)c2c1 1844596532 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